smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1c(Br)cccc1OCCF ZINC000725347497 711664120 /nfs/dbraw/zinc/66/41/20/711664120.db2.gz ITNMTSGYVYEVDD-UHFFFAOYSA-N 0 0 234.068 2.380 50 0 BEAARN Cc1cc(C)n([C@H]2CC(=O)CC[C@@H]2C)n1 ZINC000725361878 711664346 /nfs/dbraw/zinc/66/43/46/711664346.db2.gz PYPZCFUNCZGBGA-UFBFGSQYSA-N 0 0 206.289 2.430 50 0 BEAARN Cc1nc(C#N)cc(NC2(C3(C)CC3)CC2)n1 ZINC000398248441 711709802 /nfs/dbraw/zinc/70/98/02/711709802.db2.gz GWFKAHGXOIAWOC-UHFFFAOYSA-N 0 0 228.299 2.401 50 0 BEAARN Cc1ccc([C@@H]2CC(=O)NC(=O)S2)cc1 ZINC000000209175 711716926 /nfs/dbraw/zinc/71/69/26/711716926.db2.gz CBXOBBLEEDIVHQ-VIFPVBQESA-N 0 0 221.281 2.409 50 0 BEAARN CC(C)(C)CCCC[C@H]([NH3+])CC(=O)[O-] ZINC000005024338 711740724 /nfs/dbraw/zinc/74/07/24/711740724.db2.gz AWXMJIJCNMZZGZ-VIFPVBQESA-N 0 0 201.310 2.395 50 0 BEAARN C/C(=C/C(=O)Nc1ccccc1C(N)=O)C1CC1 ZINC000049141339 711774939 /nfs/dbraw/zinc/77/49/39/711774939.db2.gz KPZUPZXCONFYFY-HJWRWDBZSA-N 0 0 244.294 2.080 50 0 BEAARN C=CC(=O)N1CCCc2cccc(NC(C)=O)c21 ZINC000863971069 711795762 /nfs/dbraw/zinc/79/57/62/711795762.db2.gz DFHAPJQCVMWKMP-UHFFFAOYSA-N 0 0 244.294 2.110 50 0 BEAARN CC[C@H](c1ccccn1)N(C)Cc1ncc[nH]1 ZINC000065455954 712398495 /nfs/dbraw/zinc/39/84/95/712398495.db2.gz DCWVSHDKJACGDJ-GFCCVEGCSA-N 0 0 230.315 2.388 50 0 BEAARN Cc1cc(-c2cc(F)ccc2C)nc(N)n1 ZINC000065502579 712625535 /nfs/dbraw/zinc/62/55/35/712625535.db2.gz GWJAWEPQYGIPOK-UHFFFAOYSA-N 0 0 217.247 2.482 50 0 BEAARN COc1cccc(O[C@H]2CCCC[C@@H]2O)c1 ZINC000037695241 712741769 /nfs/dbraw/zinc/74/17/69/712741769.db2.gz RCWVCPFKUUXXIT-STQMWFEESA-N 0 0 222.284 2.378 50 0 BEAARN CN(CC[C@@H]1CCCCO1)c1ncc(F)cn1 ZINC001506399202 964388325 /nfs/dbraw/zinc/38/83/25/964388325.db2.gz BOKISPBVEKVPQF-NSHDSACASA-N 0 0 239.294 2.011 50 0 BEAARN COCC[C@@H](C)N1CC(Oc2ccccc2)C1 ZINC000824377525 968595470 /nfs/dbraw/zinc/59/54/70/968595470.db2.gz KEPLAXCWDMYACF-GFCCVEGCSA-N 0 0 235.327 2.175 50 0 BEAARN O=[N+]([O-])c1cc2nsnc2cc1Cl ZINC000148540873 1166333908 /nfs/dbraw/zinc/33/39/08/1166333908.db2.gz RDUCQSRMZQZCMX-UHFFFAOYSA-N 0 0 215.621 2.253 50 0 BEAARN Cc1ccc(C)c([C@H](C)Nc2nnc(CN)o2)c1 ZINC001772700390 1166507644 /nfs/dbraw/zinc/50/76/44/1166507644.db2.gz CUJAUSDJTMFPPH-JTQLQIEISA-N 0 0 246.314 2.318 50 0 BEAARN Cc1ncc(-c2nnc3n2CC[C@H](C)CC3)cn1 ZINC001772708804 1166509815 /nfs/dbraw/zinc/50/98/15/1166509815.db2.gz KAFHHMVFONSUNI-SECBINFHSA-N 0 0 243.314 2.016 50 0 BEAARN COc1cnc2cc(Br)cnc2c1 ZINC000238374275 1166858241 /nfs/dbraw/zinc/85/82/41/1166858241.db2.gz WSTJSDYJUSARJN-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN Cc1cc(C2(C(=O)NC3CCCCC3)CC2)no1 ZINC000409417605 972011413 /nfs/dbraw/zinc/01/14/13/972011413.db2.gz JNWQHLNKAQELGJ-UHFFFAOYSA-N 0 0 248.326 2.464 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2ccc(F)cn2)[C@@H]1C ZINC000585086482 972123512 /nfs/dbraw/zinc/12/35/12/972123512.db2.gz NHKABYGOLKHDMH-HTQZYQBOSA-N 0 0 223.251 2.093 50 0 BEAARN OCC12CC(C1)CN2Cc1ccc(Cl)s1 ZINC000585094499 972134793 /nfs/dbraw/zinc/13/47/93/972134793.db2.gz SALUVGRMDYIWEB-UHFFFAOYSA-N 0 0 243.759 2.358 50 0 BEAARN O=C(Nc1ncccn1)N[C@@H]1CC12CCCCC2 ZINC000585119758 972151947 /nfs/dbraw/zinc/15/19/47/972151947.db2.gz SHSWVKWGIVDTGB-SNVBAGLBSA-N 0 0 246.314 2.321 50 0 BEAARN C[C@H]1C[C@@H](Nc2cnn3ccccc23)CCO1 ZINC000585118547 972149652 /nfs/dbraw/zinc/14/96/52/972149652.db2.gz SYQFCKSBRBKFHI-QWRGUYRKSA-N 0 0 231.299 2.314 50 0 BEAARN CCn1ccc(CN2CCC[C@@H]2C(F)(F)F)n1 ZINC000585122663 972150874 /nfs/dbraw/zinc/15/08/74/972150874.db2.gz SBAOIZYIOAFXHQ-SNVBAGLBSA-N 0 0 247.264 2.430 50 0 BEAARN CCn1ccc(CN2CCC[C@H]2C(F)(F)F)n1 ZINC000585122662 972152927 /nfs/dbraw/zinc/15/29/27/972152927.db2.gz SBAOIZYIOAFXHQ-JTQLQIEISA-N 0 0 247.264 2.430 50 0 BEAARN C=CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000585124819 972156926 /nfs/dbraw/zinc/15/69/26/972156926.db2.gz UHKQMHKRTYMCGZ-YPMHNXCESA-N 0 0 230.311 2.095 50 0 BEAARN C[C@H](c1nc(-c2ccncc2)no1)N1CC(C)C1 ZINC000585133750 972167348 /nfs/dbraw/zinc/16/73/48/972167348.db2.gz TWDUKNMGGWHAJT-SNVBAGLBSA-N 0 0 244.298 2.144 50 0 BEAARN C=CC(=O)NCC1CCC(F)(F)CC1 ZINC000693379331 958328431 /nfs/dbraw/zinc/32/84/31/958328431.db2.gz SMUQUKMKUCAQRM-UHFFFAOYSA-N 0 0 203.232 2.114 50 0 BEAARN CC(C)(C)[C@H]1CSCCN1C(=O)C(F)F ZINC000585124406 959999936 /nfs/dbraw/zinc/99/99/36/959999936.db2.gz BZLYSPMSBNOMOC-SSDOTTSWSA-N 0 0 237.315 2.242 50 0 BEAARN C[C@H](OCCO)c1ccc(Cl)cc1 ZINC000196491845 960706286 /nfs/dbraw/zinc/70/62/86/960706286.db2.gz MLBYVMRNCFGRQU-QMMMGPOBSA-N 0 0 200.665 2.410 50 0 BEAARN Cc1cncc(OC2CCSCC2)n1 ZINC000585651940 961148680 /nfs/dbraw/zinc/14/86/80/961148680.db2.gz SGRREMSXTKGPEY-UHFFFAOYSA-N 0 0 210.302 2.059 50 0 BEAARN Cc1ccc(F)c(-c2ncnc3[nH]cnc32)c1 ZINC000199291281 963544261 /nfs/dbraw/zinc/54/42/61/963544261.db2.gz WQABZYILZDZVBO-UHFFFAOYSA-N 0 0 228.230 2.467 50 0 BEAARN Cc1cnn(-c2cc(-c3cccnc3)ncn2)c1 ZINC000032565187 965520708 /nfs/dbraw/zinc/52/07/08/965520708.db2.gz AUPGLRXVFCKYIJ-UHFFFAOYSA-N 0 0 237.266 2.033 50 0 BEAARN COC(=O)N1CC[C@H](c2ccsc2)C1 ZINC000824155841 968578934 /nfs/dbraw/zinc/57/89/34/968578934.db2.gz BRRMGUVOPGFSOR-QMMMGPOBSA-N 0 0 211.286 2.304 50 0 BEAARN CC(C)c1nc(CNC(=O)C[C@H]2C=CCC2)no1 ZINC000827801685 968705827 /nfs/dbraw/zinc/70/58/27/968705827.db2.gz DFJFUUIXAQMSJB-JTQLQIEISA-N 0 0 249.314 2.166 50 0 BEAARN C[C@@H](NC(=O)c1cccc(=O)[nH]1)C1=CCCCC1 ZINC000828928376 968818557 /nfs/dbraw/zinc/81/85/57/968818557.db2.gz OJEFEGMZDONULN-SNVBAGLBSA-N 0 0 246.310 2.406 50 0 BEAARN CCOC(=O)[C@@H](N)Cc1csc2ccccc12 ZINC000044340501 973708171 /nfs/dbraw/zinc/70/81/71/973708171.db2.gz JFXATFHFXAOZDY-NSHDSACASA-N 0 0 249.335 2.334 50 0 BEAARN Cn1c2ccccc2nc1OC[C@H]1CCCO1 ZINC000585651426 973919734 /nfs/dbraw/zinc/91/97/34/973919734.db2.gz MDSWFLWXINZIRF-SNVBAGLBSA-N 0 0 232.283 2.131 50 0 BEAARN Cn1c(OC2CCCC2)nc2cccnc21 ZINC000585655120 973924703 /nfs/dbraw/zinc/92/47/03/973924703.db2.gz SLJXDHGIAJVBAH-UHFFFAOYSA-N 0 0 217.272 2.290 50 0 BEAARN Fc1cccnc1OC[C@H]1CCCCO1 ZINC000585654974 973927844 /nfs/dbraw/zinc/92/78/44/973927844.db2.gz OZCDOIDZNTWXJY-SECBINFHSA-N 0 0 211.236 2.169 50 0 BEAARN Cc1nnc(OC2Cc3ccccc3C2)s1 ZINC000585652786 973928928 /nfs/dbraw/zinc/92/89/28/973928928.db2.gz WOTNCYPJMQOJNK-UHFFFAOYSA-N 0 0 232.308 2.393 50 0 BEAARN CCCCc1nnc(NCc2ccon2)o1 ZINC000952883655 974062733 /nfs/dbraw/zinc/06/27/33/974062733.db2.gz WHHAXAFIWMRGIE-UHFFFAOYSA-N 0 0 222.248 2.012 50 0 BEAARN C=CC(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000952888270 974066587 /nfs/dbraw/zinc/06/65/87/974066587.db2.gz QLDQYFRDWHIUJN-ONGXEEELSA-N 0 0 237.324 2.223 50 0 BEAARN COC(=O)c1ccccc1C(=O)N1CCCCC1 ZINC000005660661 980161832 /nfs/dbraw/zinc/16/18/32/980161832.db2.gz MHLMQFWVMWERBF-UHFFFAOYSA-N 0 0 247.294 2.099 50 0 BEAARN CC1(C)Cc2nc(N)sc2C(C)(C)O1 ZINC000238247025 982251689 /nfs/dbraw/zinc/25/16/89/982251689.db2.gz AJXRRFMAWXWOMT-UHFFFAOYSA-N 0 0 212.318 2.312 50 0 BEAARN CNc1nnc(-c2ccccc2OC)s1 ZINC000001238277 987861000 /nfs/dbraw/zinc/86/10/00/987861000.db2.gz OXOHGDVHULHVNE-UHFFFAOYSA-N 0 0 221.285 2.255 50 0 BEAARN CCc1noc(NC(=O)Cc2cccnc2)c1C ZINC001506429588 988786787 /nfs/dbraw/zinc/78/67/87/988786787.db2.gz UWELTSCHFZAURB-UHFFFAOYSA-N 0 0 245.282 2.122 50 0 BEAARN CCc1cnc(N(C)Cc2nc(C)cs2)nc1 ZINC001529141524 990334261 /nfs/dbraw/zinc/33/42/61/990334261.db2.gz OJKQTXPCYIZTKK-UHFFFAOYSA-N 0 0 248.355 2.440 50 0 BEAARN C[C@@]1(CCc2ccccc2)CC[N@H+](CC(=O)[O-])C1 ZINC000299739081 136209450 /nfs/dbraw/zinc/20/94/50/136209450.db2.gz KHEHRKXNWGWAAT-OAHLLOKOSA-N 0 0 247.338 2.416 50 0 BEAARN Cc1cc(C)n(-c2nc3ccccc3n2C)n1 ZINC000001428762 177921136 /nfs/dbraw/zinc/92/11/36/177921136.db2.gz LXIQGBYRPHTIQX-UHFFFAOYSA-N 0 0 226.283 2.376 50 0 BEAARN Cc1nn2c(nc(C)cc2C)c1Br ZINC000003197892 177934145 /nfs/dbraw/zinc/93/41/45/177934145.db2.gz NASYPSXAHKIZFK-UHFFFAOYSA-N 0 0 240.104 2.417 50 0 BEAARN CCc1ccc(CC(=O)NC[C@H]2CCCO2)cc1 ZINC000071375860 398147950 /nfs/dbraw/zinc/14/79/50/398147950.db2.gz KDUMXVYKVOOFJM-CQSZACIVSA-N 0 0 247.338 2.087 50 0 BEAARN CCc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000071375858 398147995 /nfs/dbraw/zinc/14/79/95/398147995.db2.gz KDUMXVYKVOOFJM-AWEZNQCLSA-N 0 0 247.338 2.087 50 0 BEAARN CN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1 ZINC000044980017 398153595 /nfs/dbraw/zinc/15/35/95/398153595.db2.gz NUOOFAPAKAJCSM-ZDUSSCGKSA-N 0 0 248.326 2.007 50 0 BEAARN Cc1cc(CNC(=O)c2ccncc2)ccc1F ZINC000011008157 178016856 /nfs/dbraw/zinc/01/68/56/178016856.db2.gz QEYLXMHOSCOKKA-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1cc(Cn2cncn2)c2ccccc2n1 ZINC000090713954 178074649 /nfs/dbraw/zinc/07/46/49/178074649.db2.gz VUVMWYLKOYKYQK-UHFFFAOYSA-N 0 0 224.267 2.183 50 0 BEAARN Cc1cc(CNc2ncc(C)c(C)n2)on1 ZINC000132808528 178044408 /nfs/dbraw/zinc/04/44/08/178044408.db2.gz IFOCXUNBKKSQPG-UHFFFAOYSA-N 0 0 218.260 2.002 50 0 BEAARN Cc1cc(COC(=O)c2ccco2)nc(C)n1 ZINC000097110989 178046945 /nfs/dbraw/zinc/04/69/45/178046945.db2.gz ZGPSUTCPFVJQJE-UHFFFAOYSA-N 0 0 232.239 2.043 50 0 BEAARN Cc1cc(COC(=O)[C@@H]2C[C@H]2c2ccco2)on1 ZINC000095956281 178047508 /nfs/dbraw/zinc/04/75/08/178047508.db2.gz WMTUWMBEHGCGAV-GHMZBOCLSA-N 0 0 247.250 2.423 50 0 BEAARN CCN(CC)c1nnc(Br)s1 ZINC000072115338 398177947 /nfs/dbraw/zinc/17/79/47/398177947.db2.gz FGYQDBJISVECEF-UHFFFAOYSA-N 0 0 236.138 2.147 50 0 BEAARN Cc1csc(=O)n1Cc1ccc(F)cc1 ZINC000113774927 136217080 /nfs/dbraw/zinc/21/70/80/136217080.db2.gz KFJODKDLUWETDB-UHFFFAOYSA-N 0 0 223.272 2.406 50 0 BEAARN Cc1cc(Cl)c(C=O)c(=O)n1CC(C)C ZINC000019945105 178060338 /nfs/dbraw/zinc/06/03/38/178060338.db2.gz JRIYUCVIIFHRDF-UHFFFAOYSA-N 0 0 227.691 2.279 50 0 BEAARN Cc1cc(Cl)c(C(N)=O)cc1Cl ZINC000263623814 178061451 /nfs/dbraw/zinc/06/14/51/178061451.db2.gz KXNCMECBWKQGGF-UHFFFAOYSA-N 0 0 204.056 2.401 50 0 BEAARN Cc1cc(Cl)c(C=O)c(=O)n1C(C)C ZINC000019945098 178061542 /nfs/dbraw/zinc/06/15/42/178061542.db2.gz MUZVPXJBHWZERQ-UHFFFAOYSA-N 0 0 213.664 2.204 50 0 BEAARN CC(C)OCCCNC(=O)C1CCCCC1 ZINC000013716933 136217607 /nfs/dbraw/zinc/21/76/07/136217607.db2.gz OHVKMVISRXZRLL-UHFFFAOYSA-N 0 0 227.348 2.498 50 0 BEAARN Cc1cc(C)n(-c2nc(C)cc(Cl)n2)n1 ZINC000000494675 178071427 /nfs/dbraw/zinc/07/14/27/178071427.db2.gz KWSKLMBENWXRSB-UHFFFAOYSA-N 0 0 222.679 2.241 50 0 BEAARN Cc1cc(Cl)nc(-n2cccc2C=O)n1 ZINC000002534170 178071742 /nfs/dbraw/zinc/07/17/42/178071742.db2.gz LHAJFYOBKJRJFW-UHFFFAOYSA-N 0 0 221.647 2.042 50 0 BEAARN Cc1nc(CNc2cc(C)cc(F)c2)no1 ZINC000155050554 178079143 /nfs/dbraw/zinc/07/91/43/178079143.db2.gz UBZIANLOUPEGJU-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN O=C(Nc1nc(C2CC2)no1)[C@H]1CC=CCC1 ZINC000096407933 187326473 /nfs/dbraw/zinc/32/64/73/187326473.db2.gz WFVIQRNNAUKCDI-VIFPVBQESA-N 0 0 233.271 2.242 50 0 BEAARN Cc1cc(F)ccc1NC(=O)c1ccc[nH]c1=O ZINC000022743751 178090186 /nfs/dbraw/zinc/09/01/86/178090186.db2.gz SJZBESCSCDRGLR-UHFFFAOYSA-N 0 0 246.241 2.075 50 0 BEAARN CCC(CC)C(=O)NCc1ccnc(N(C)C)c1 ZINC000040087734 168338692 /nfs/dbraw/zinc/33/86/92/168338692.db2.gz WLHKCKNLYRQWII-UHFFFAOYSA-N 0 0 249.358 2.200 50 0 BEAARN Cc1cc(I)sn1 ZINC000066309058 178093190 /nfs/dbraw/zinc/09/31/90/178093190.db2.gz BKAZKAKFTYEOIA-UHFFFAOYSA-N 0 0 225.054 2.056 50 0 BEAARN CCC(CC)C(=O)NCc1ccncc1 ZINC000000453177 168339126 /nfs/dbraw/zinc/33/91/26/168339126.db2.gz WNRDAMUHWCSQGC-UHFFFAOYSA-N 0 0 206.289 2.134 50 0 BEAARN Cc1cc(N2CCCC2)nc(C2CC2)n1 ZINC000098009578 178112723 /nfs/dbraw/zinc/11/27/23/178112723.db2.gz QXCRZCAKSBZFJF-UHFFFAOYSA-N 0 0 203.289 2.263 50 0 BEAARN Cc1cc2nc(C)cc(N3CCC[C@H]3C)n2n1 ZINC000072476614 178116752 /nfs/dbraw/zinc/11/67/52/178116752.db2.gz LVZRBLXDLMGZNI-LLVKDONJSA-N 0 0 230.315 2.335 50 0 BEAARN Cc1cc(NC(=O)/C=C\c2ccc(C)o2)n(C)n1 ZINC000046015914 178123218 /nfs/dbraw/zinc/12/32/18/178123218.db2.gz AWQHDUPNJAMWGQ-SREVYHEPSA-N 0 0 245.282 2.282 50 0 BEAARN Cc1cc(NC(=O)/C=C\c2cccnc2)ccn1 ZINC000096034973 178124254 /nfs/dbraw/zinc/12/42/54/178124254.db2.gz IDXHPRYICONJRN-PLNGDYQASA-N 0 0 239.278 2.437 50 0 BEAARN Cc1cc(NC(=O)COc2ccccc2C)no1 ZINC000000367731 178132987 /nfs/dbraw/zinc/13/29/87/178132987.db2.gz UUJGRLOXFOEQRH-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN COC(=O)c1ncc(C(F)(F)F)cc1F ZINC000261494776 398208320 /nfs/dbraw/zinc/20/83/20/398208320.db2.gz FWDZNVWLOOIULC-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN CN(Cc1cc(C(N)=O)cs1)c1ccccc1 ZINC000097057320 398215476 /nfs/dbraw/zinc/21/54/76/398215476.db2.gz VRNLMRPVOOSTEE-UHFFFAOYSA-N 0 0 246.335 2.483 50 0 BEAARN Fc1cc2c(cc1Br)NCCO2 ZINC000074937734 398209991 /nfs/dbraw/zinc/20/99/91/398209991.db2.gz CTMRDIDZVAZIRX-UHFFFAOYSA-N 0 0 232.052 2.393 50 0 BEAARN Cc1cc(NC2CCCCC2)n2ncnc2n1 ZINC000009775235 178155343 /nfs/dbraw/zinc/15/53/43/178155343.db2.gz LABDAERVBUYDMB-UHFFFAOYSA-N 0 0 231.303 2.177 50 0 BEAARN Cc1nn2c(nc(C)cc2NCC(F)F)c1C ZINC000072436448 178156903 /nfs/dbraw/zinc/15/69/03/178156903.db2.gz KHOZLGXYVHBRGU-UHFFFAOYSA-N 0 0 240.257 2.332 50 0 BEAARN Cc1cc(NCc2ccccc2)n2ncnc2n1 ZINC000000182733 178172788 /nfs/dbraw/zinc/17/27/88/178172788.db2.gz IGKUHHQUTNBCCC-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN Cc1cc(=NN)[nH]c2ccc(Cl)cc12 ZINC000003445791 178177711 /nfs/dbraw/zinc/17/77/11/178177711.db2.gz DMGKVZOWCYLRCW-UHFFFAOYSA-N 0 0 207.664 2.482 50 0 BEAARN Cc1cc(N[C@@H]2C=C[C@H](CO)C2)nc(C(C)C)n1 ZINC000095966052 178180076 /nfs/dbraw/zinc/18/00/76/178180076.db2.gz LBGIBPSXQAKPPS-NWDGAFQWSA-N 0 0 247.342 2.257 50 0 BEAARN Cc1cc(O)c(Br)cc1O ZINC000000397776 178193208 /nfs/dbraw/zinc/19/32/08/178193208.db2.gz RYCDETQSXYAKQS-UHFFFAOYSA-N 0 0 203.035 2.169 50 0 BEAARN Cc1cc(O)cc(O)c1C(=O)Cc1ccccn1 ZINC000000407253 178199666 /nfs/dbraw/zinc/19/96/66/178199666.db2.gz RMNRXQMQPHMEJG-UHFFFAOYSA-N 0 0 243.262 2.227 50 0 biogenic BEAARN Cc1cc(OCC(=O)Nc2ccccc2C)no1 ZINC000008428148 178208830 /nfs/dbraw/zinc/20/88/30/178208830.db2.gz BCIHOPMBJTWXKC-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000006699831 398228914 /nfs/dbraw/zinc/22/89/14/398228914.db2.gz QXRIRHWVDVXPOD-GMSGAONNSA-N 0 0 215.256 2.157 50 0 BEAARN Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1F ZINC000008132538 178217178 /nfs/dbraw/zinc/21/71/78/178217178.db2.gz QFQSZNABFLDLMT-UHFFFAOYSA-N 0 0 245.319 2.211 50 0 BEAARN Cc1cc(Sc2nccn2C)ccc1N ZINC000035278535 178219180 /nfs/dbraw/zinc/21/91/80/178219180.db2.gz XPTRZWPIORYHEL-UHFFFAOYSA-N 0 0 219.313 2.462 50 0 BEAARN COC(=O)c1cc(-c2ccc(N)nc2)ccc1F ZINC000075878355 398230001 /nfs/dbraw/zinc/23/00/01/398230001.db2.gz PNQCQNFYAYAWJP-UHFFFAOYSA-N 0 0 246.241 2.257 50 0 BEAARN CCOCCS[C@H](C)C(=O)N1CCCCC1 ZINC000097114021 398238062 /nfs/dbraw/zinc/23/80/62/398238062.db2.gz TYHDBLZRNCGSFM-LLVKDONJSA-N 0 0 245.388 2.157 50 0 BEAARN Cc1cc([C@H]2CCCN2c2ncccn2)no1 ZINC000032770063 178266420 /nfs/dbraw/zinc/26/64/20/178266420.db2.gz GYIATOUNOCIWGU-LLVKDONJSA-N 0 0 230.271 2.115 50 0 BEAARN COC(=O)C[C@@H](C)OC(=O)c1ccccc1C ZINC000097137056 398243046 /nfs/dbraw/zinc/24/30/46/398243046.db2.gz ANFCVEBOUVRVBJ-SNVBAGLBSA-N 0 0 236.267 2.103 50 0 BEAARN Cc1cc2cccc(-n3nnnc3C)c2o1 ZINC000015084483 178297553 /nfs/dbraw/zinc/29/75/53/178297553.db2.gz TUIBNWJXLXROQI-UHFFFAOYSA-N 0 0 214.228 2.025 50 0 BEAARN Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)(F)F)N2 ZINC000012803938 178299665 /nfs/dbraw/zinc/29/96/65/178299665.db2.gz ZFSVZZUTELKOKO-NKWVEPMBSA-N 0 0 219.210 2.499 50 0 BEAARN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C)N2 ZINC000004291311 178300767 /nfs/dbraw/zinc/30/07/67/178300767.db2.gz GVCUYVSDJYMDMA-IYSWYEEDSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2ncc(-c3ccc(F)cc3)c(N)n2n1 ZINC000001403935 178303827 /nfs/dbraw/zinc/30/38/27/178303827.db2.gz WUXSZYOHAIQUCQ-UHFFFAOYSA-N 0 0 242.257 2.426 50 0 BEAARN Cc1cc2cc3c(N)n[nH]c3nc2cc1C ZINC000005445974 178296445 /nfs/dbraw/zinc/29/64/45/178296445.db2.gz XSYYLQJMAAYYFC-UHFFFAOYSA-N 0 0 212.256 2.310 50 0 BEAARN Cc1ccc(-c2cn(C)c3c2nc[nH]c3=O)cc1 ZINC000057519854 178327527 /nfs/dbraw/zinc/32/75/27/178327527.db2.gz LEKQTUGFPHVMTN-UHFFFAOYSA-N 0 0 239.278 2.237 50 0 BEAARN Cc1cc2oc(C(F)(F)F)cc(=O)c2c(=O)o1 ZINC000001405923 178306605 /nfs/dbraw/zinc/30/66/05/178306605.db2.gz BLHHNNNDFACHNV-UHFFFAOYSA-N 0 0 246.140 2.073 50 0 BEAARN Cc1ccc(-c2n[nH]cc2C(=O)NC2CC2)cc1 ZINC000072328911 178315630 /nfs/dbraw/zinc/31/56/30/178315630.db2.gz FCYHCULRTLAQIZ-UHFFFAOYSA-N 0 0 241.294 2.277 50 0 BEAARN Cc1ccc(-c2cc(C(=O)NC3CC3)[nH]n2)cc1 ZINC000014263064 178319534 /nfs/dbraw/zinc/31/95/34/178319534.db2.gz REZHWIQSCRSZQE-UHFFFAOYSA-N 0 0 241.294 2.277 50 0 BEAARN Cc1ccc(-c2nc([C@H]3CCOC3)no2)cc1O ZINC000087810077 178336616 /nfs/dbraw/zinc/33/66/16/178336616.db2.gz XQOCBBFEEOHPOY-JTQLQIEISA-N 0 0 246.266 2.255 50 0 BEAARN Cc1ccc(-n2c(N)cc(=O)[nH]c2=S)cc1C ZINC000003881126 178346315 /nfs/dbraw/zinc/34/63/15/178346315.db2.gz GVZSLCNAWSLCMX-UHFFFAOYSA-N 0 0 247.323 2.094 50 0 BEAARN Cc1ccc(N2CN=NC2=S)cc1C ZINC000016957952 178347424 /nfs/dbraw/zinc/34/74/24/178347424.db2.gz UVJLLMUPSRXKHR-UHFFFAOYSA-N 0 0 205.286 2.173 50 0 BEAARN CCC(CC)N(C)Cc1nncn1C(C)C ZINC000065396021 168369673 /nfs/dbraw/zinc/36/96/73/168369673.db2.gz RDZXPLLTPUWMLT-UHFFFAOYSA-N 0 0 224.352 2.479 50 0 BEAARN Cc1cs/c(=N\c2ccc(C)cc2)n1CCO ZINC000010187285 178361126 /nfs/dbraw/zinc/36/11/26/178361126.db2.gz YKZQZNUCOXDYOR-YPKPFQOOSA-N 0 0 248.351 2.391 50 0 BEAARN Cc1ccc(=O)n(Cc2c(C)cccc2C)n1 ZINC000098012585 178361560 /nfs/dbraw/zinc/36/15/60/178361560.db2.gz RUVSMHUAYLAEKJ-UHFFFAOYSA-N 0 0 228.295 2.217 50 0 BEAARN CNC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000335057336 398263735 /nfs/dbraw/zinc/26/37/35/398263735.db2.gz JYUBSOLBMCHVJR-UHFFFAOYSA-N 0 0 233.193 2.160 50 0 BEAARN O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CC12CC2 ZINC000335065213 136232618 /nfs/dbraw/zinc/23/26/18/136232618.db2.gz VKUNXBTWEUZHHD-BDAKNGLRSA-N 0 0 229.270 2.481 50 0 BEAARN Cc1cc(=O)oc(C)c1C(=O)N(C)[C@@H](C)C1CC1 ZINC000032907093 538951410 /nfs/dbraw/zinc/95/14/10/538951410.db2.gz CJVHBYDXCYAVFA-VIFPVBQESA-N 0 0 249.310 2.127 50 0 BEAARN O=C(NCc1ccc[nH]1)[C@H]1CCC[C@@H](F)C1 ZINC000335084548 136232745 /nfs/dbraw/zinc/23/27/45/136232745.db2.gz MPAGHMXXWDMZQZ-VHSXEESVSA-N 0 0 224.279 2.159 50 0 BEAARN CC1(C)COC(c2ccc(O)cc2)OC1 ZINC000000075366 342673122 /nfs/dbraw/zinc/67/31/22/342673122.db2.gz OWZIEIAHHJTZIB-UHFFFAOYSA-N 0 0 208.257 2.464 50 0 BEAARN Cc1ccc(NC(=S)N(C)C)cc1F ZINC000000089313 342673618 /nfs/dbraw/zinc/67/36/18/342673618.db2.gz QOWRKLUNPXQZEG-UHFFFAOYSA-N 0 0 212.293 2.393 50 0 BEAARN O=C1CN=C(c2ccccc2)c2ccccc2N1 ZINC000000086336 342673867 /nfs/dbraw/zinc/67/38/67/342673867.db2.gz IVUAAOBNUNMJQC-UHFFFAOYSA-N 0 0 236.274 2.476 50 0 BEAARN O=C1C=CC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000097218 342674274 /nfs/dbraw/zinc/67/42/74/342674274.db2.gz DQGGHYHHYCKIMR-UHFFFAOYSA-N 0 0 241.168 2.135 50 0 BEAARN O=C1C=CC(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000099473 342674428 /nfs/dbraw/zinc/67/44/28/342674428.db2.gz OSSFTHGZMNLASE-UHFFFAOYSA-N 0 0 242.061 2.423 50 0 BEAARN Cn1c(Cc2ccsc2)n[nH]c1=S ZINC000000120983 342675434 /nfs/dbraw/zinc/67/54/34/342675434.db2.gz BKRQBMPAPNONKK-UHFFFAOYSA-N 0 0 211.315 2.130 50 0 BEAARN CSc1nnc(-c2ccccc2)n1C ZINC000000124614 342675774 /nfs/dbraw/zinc/67/57/74/342675774.db2.gz YQMPWJBMMZNZRK-UHFFFAOYSA-N 0 0 205.286 2.204 50 0 BEAARN NC(=S)c1ccccc1-n1cccc1 ZINC000000127432 342676109 /nfs/dbraw/zinc/67/61/09/342676109.db2.gz VBKIFDYZFPWJPW-UHFFFAOYSA-N 0 0 202.282 2.112 50 0 BEAARN CCOc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000000129777 342676132 /nfs/dbraw/zinc/67/61/32/342676132.db2.gz YQMOIHHEQMEXCI-UHFFFAOYSA-N 0 0 204.229 2.181 50 0 BEAARN Nc1ccc(Sc2ccccn2)nc1 ZINC000000132758 342676232 /nfs/dbraw/zinc/67/62/32/342676232.db2.gz XWNFGZLXUDSFQX-UHFFFAOYSA-N 0 0 203.270 2.210 50 0 BEAARN CCN(CC)C(=O)c1[nH]c(C)c(C)c1C ZINC000000132505 342676445 /nfs/dbraw/zinc/67/64/45/342676445.db2.gz BJFUEJMWVBADGW-UHFFFAOYSA-N 0 0 208.305 2.422 50 0 BEAARN COC(=O)c1ccccc1SCC(C)=O ZINC000000161367 342678398 /nfs/dbraw/zinc/67/83/98/342678398.db2.gz LXFGVTCWUZZPHD-UHFFFAOYSA-N 0 0 224.281 2.154 50 0 BEAARN CN1C(=S)N=NC1c1cc(Cl)ccc1O ZINC000000173330 342679132 /nfs/dbraw/zinc/67/91/32/342679132.db2.gz HMHGWLRIAHNQAQ-UHFFFAOYSA-N 0 0 241.703 2.130 50 0 BEAARN COC(=O)CCC(=O)Nc1ccccc1Cl ZINC000000184669 342679403 /nfs/dbraw/zinc/67/94/03/342679403.db2.gz JAXOGQBKZQFMEP-UHFFFAOYSA-N 0 0 241.674 2.232 50 0 BEAARN Cc1cc(C)n2nc(-c3ccco3)nc2n1 ZINC000000205500 342680176 /nfs/dbraw/zinc/68/01/76/342680176.db2.gz WVWLLCHVODUKGH-UHFFFAOYSA-N 0 0 214.228 2.001 50 0 BEAARN CCN(CC)C(=O)c1cc2ccccc2oc1=O ZINC000000208271 342680178 /nfs/dbraw/zinc/68/01/78/342680178.db2.gz DIHKPWRAFNUESX-UHFFFAOYSA-N 0 0 245.278 2.275 50 0 BEAARN c1csc(CNc2ncnc3nc[nH]c32)c1 ZINC000000213823 342680244 /nfs/dbraw/zinc/68/02/44/342680244.db2.gz JYIRPMVEWLTUGX-UHFFFAOYSA-N 0 0 231.284 2.027 50 0 BEAARN CC1(C)C[C@@](C)(O)[P@@](=O)(c2ccccc2)O1 ZINC000000231784 342680872 /nfs/dbraw/zinc/68/08/72/342680872.db2.gz IVLUAGYBDRGAPC-BLLLJJGKSA-N 0 0 240.239 2.497 50 0 BEAARN C[C@H](NC(=O)c1ccoc1)c1ccco1 ZINC000036392502 538960144 /nfs/dbraw/zinc/96/01/44/538960144.db2.gz UWTCESBNJAPASR-QMMMGPOBSA-N 0 0 205.213 2.364 50 0 BEAARN CC1(C)C[C@@](C)(O)[P@](=O)(c2ccccc2)O1 ZINC000000231782 342680943 /nfs/dbraw/zinc/68/09/43/342680943.db2.gz IVLUAGYBDRGAPC-LRDDRELGSA-N 0 0 240.239 2.497 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(OC)cc1OC ZINC000000288835 342682369 /nfs/dbraw/zinc/68/23/69/342682369.db2.gz INFDYEGHDMXGDI-SECBINFHSA-N 0 0 237.299 2.232 50 0 BEAARN O=C([O-])[C@H]1CCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000000298332 342682639 /nfs/dbraw/zinc/68/26/39/342682639.db2.gz RWRSTSPQXGSPJT-CYBMUJFWSA-N 0 0 244.294 2.217 50 0 in-vitro BEAARN CCOc1ccccc1NC(=O)C1CC1 ZINC000000315652 342683094 /nfs/dbraw/zinc/68/30/94/342683094.db2.gz QGMSVPSKLRPBIG-UHFFFAOYSA-N 0 0 205.257 2.434 50 0 BEAARN CC(=O)Nc1ccc2c(C)cc(C)nc2n1 ZINC000000323072 342683294 /nfs/dbraw/zinc/68/32/94/342683294.db2.gz RPFBSLILZOHULY-UHFFFAOYSA-N 0 0 215.256 2.205 50 0 BEAARN COc1cc(Br)cc(C=O)c1OC ZINC000000336082 342683798 /nfs/dbraw/zinc/68/37/98/342683798.db2.gz RVMWFOFQRYTRHZ-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN O=C(CCc1ccccc1O)NCc1ccco1 ZINC000000342022 342684225 /nfs/dbraw/zinc/68/42/25/342684225.db2.gz KAPKCJOJQYJVBZ-UHFFFAOYSA-N 0 0 245.278 2.234 50 0 BEAARN CCOc1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000000346109 342684323 /nfs/dbraw/zinc/68/43/23/342684323.db2.gz SQHKOQCZKYUUHR-UHFFFAOYSA-N 0 0 236.271 2.002 50 0 BEAARN O=C(c1ccccc1F)N1CCSC1=S ZINC000000368670 342685102 /nfs/dbraw/zinc/68/51/02/342685102.db2.gz YNZADQOZXVTAQG-UHFFFAOYSA-N 0 0 241.312 2.300 50 0 BEAARN CC(C)c1ccc(NS(C)(=O)=O)cc1 ZINC000000383456 342685568 /nfs/dbraw/zinc/68/55/68/342685568.db2.gz DZIPNNUWMDARJP-UHFFFAOYSA-N 0 0 213.302 2.182 50 0 BEAARN COC(=O)N(C#N)c1cccc(Cl)c1 ZINC000000400508 342686466 /nfs/dbraw/zinc/68/64/66/342686466.db2.gz AYZZLTVKEOFVKM-UHFFFAOYSA-N 0 0 210.620 2.394 50 0 BEAARN NNC(=S)Nc1c(Cl)cccc1Cl ZINC000000405093 342686707 /nfs/dbraw/zinc/68/67/07/342686707.db2.gz MTLDTBBIPXCMJY-UHFFFAOYSA-N 0 0 236.127 2.154 50 0 BEAARN Cc1ccc(NC(=O)c2ccco2)cc1N ZINC000000410330 342687279 /nfs/dbraw/zinc/68/72/79/342687279.db2.gz HOPAURAUOZNBTC-UHFFFAOYSA-N 0 0 216.240 2.423 50 0 BEAARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C1 ZINC000000451310 342687668 /nfs/dbraw/zinc/68/76/68/342687668.db2.gz POUFJPMHEUNIQQ-UHFFFAOYSA-N 0 0 245.278 2.179 50 0 BEAARN CC(C)(NO)C(=O)c1ccc(Cl)cc1 ZINC000000444556 342687881 /nfs/dbraw/zinc/68/78/81/342687881.db2.gz MBSDFKSRTGUBHD-UHFFFAOYSA-N 0 0 213.664 2.280 50 0 BEAARN CCC(=O)NC(=S)Nc1ccccc1C ZINC000000456517 342687931 /nfs/dbraw/zinc/68/79/31/342687931.db2.gz MLLZGWBRPIZBEH-UHFFFAOYSA-N 0 0 222.313 2.218 50 0 BEAARN O=C(NCc1ccc(Cl)cc1)c1cnccn1 ZINC000000476426 342688243 /nfs/dbraw/zinc/68/82/43/342688243.db2.gz WBWWSWMRKDXLHF-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN Cc1cc(C)n(C(=O)c2ccc(C)o2)n1 ZINC000000474195 342688398 /nfs/dbraw/zinc/68/83/98/342688398.db2.gz LFPNUFNXGPGUIS-UHFFFAOYSA-N 0 0 204.229 2.090 50 0 BEAARN CCS(=O)(=O)Nc1cc(C)ccc1C ZINC000000482774 342688574 /nfs/dbraw/zinc/68/85/74/342688574.db2.gz KGDNZSARZOGTCT-UHFFFAOYSA-N 0 0 213.302 2.065 50 0 BEAARN Cc1ccc(NS(C)(=O)=O)cc1Cl ZINC000000029499 342669959 /nfs/dbraw/zinc/66/99/59/342669959.db2.gz IECJHCNQWJZFEH-UHFFFAOYSA-N 0 0 219.693 2.020 50 0 BEAARN O=C1NC2(CCCCC2)Oc2ccccc21 ZINC000000031357 342670364 /nfs/dbraw/zinc/67/03/64/342670364.db2.gz GMKQOWMDPZAYKG-UHFFFAOYSA-N 0 0 217.268 2.469 50 0 BEAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000000041053 342670960 /nfs/dbraw/zinc/67/09/60/342670960.db2.gz FEUCBQVXYVZGCM-GFCCVEGCSA-N 0 0 219.284 2.126 50 0 BEAARN CSCS(=O)(=O)c1ccc(C)cc1 ZINC000000057620 342672096 /nfs/dbraw/zinc/67/20/96/342672096.db2.gz XAARLLNXZJTFPQ-UHFFFAOYSA-N 0 0 216.327 2.089 50 0 BEAARN Cc1cc(=O)oc2cc(N(C)C)ccc12 ZINC000000057744 342672144 /nfs/dbraw/zinc/67/21/44/342672144.db2.gz GZEYLLPOQRZUDF-UHFFFAOYSA-N 0 0 203.241 2.167 50 0 BEAARN CCc1cc2c(C)cc(=O)oc2cc1O ZINC000000068806 342672624 /nfs/dbraw/zinc/67/26/24/342672624.db2.gz QHDTWGXIYHPUKI-UHFFFAOYSA-N 0 0 204.225 2.369 50 0 biogenic BEAARN O=C(c1ccc(O)cc1)N1CCCCC1 ZINC000000552517 342690098 /nfs/dbraw/zinc/69/00/98/342690098.db2.gz FDVQVSBSVYYHHO-UHFFFAOYSA-N 0 0 205.257 2.018 50 0 BEAARN Cc1ccc(CC(=O)NCc2ccco2)cc1 ZINC000000578065 342690817 /nfs/dbraw/zinc/69/08/17/342690817.db2.gz BWIBBBDHGLSOEA-UHFFFAOYSA-N 0 0 229.279 2.447 50 0 BEAARN Cc1ccc(Nc2nc(O)cs2)cc1 ZINC000001231752 342698361 /nfs/dbraw/zinc/69/83/61/342698361.db2.gz LWRUIMYWCYBHAP-UHFFFAOYSA-N 0 0 206.270 2.036 50 0 BEAARN Nc1ccc(C(=O)Nc2ccccc2)c(N)c1 ZINC000001233184 342698403 /nfs/dbraw/zinc/69/84/03/342698403.db2.gz DLHWNBZHYWNPIG-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN CC(C)(C)NC(=S)NC1CCCC1 ZINC000002346382 342718959 /nfs/dbraw/zinc/71/89/59/342718959.db2.gz YPYMYGOFTCUHAU-UHFFFAOYSA-N 0 0 200.351 2.192 50 0 BEAARN COC(=O)[C@@H](n1cccc1C=O)C(C)(C)C ZINC000001393901 342699658 /nfs/dbraw/zinc/69/96/58/342699658.db2.gz WSYFPZWSCFVDKQ-SNVBAGLBSA-N 0 0 223.272 2.061 50 0 BEAARN CCOc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000001456899 342701530 /nfs/dbraw/zinc/70/15/30/342701530.db2.gz KXMJDJCQVDISGH-LBPRGKRZSA-N 0 0 235.283 2.203 50 0 BEAARN Nc1ccc2[nH]c(-c3ccc(N)cc3O)nc2c1 ZINC000001509789 342702061 /nfs/dbraw/zinc/70/20/61/342702061.db2.gz FAQLHCHBYPFJOS-UHFFFAOYSA-N 0 0 240.266 2.100 50 0 BEAARN O=C1CCCc2c3cc4c(cc3[nH]c21)OCCO4 ZINC000001512028 342702098 /nfs/dbraw/zinc/70/20/98/342702098.db2.gz HBEHRRBUFRIFDF-UHFFFAOYSA-N 0 0 243.262 2.458 50 0 biogenic BEAARN Cc1ccc(C(=O)N[C@@H]2CCSC2=O)cc1C ZINC000000318354 178426517 /nfs/dbraw/zinc/42/65/17/178426517.db2.gz WXOAYFVVXKRAIZ-LLVKDONJSA-N 0 0 249.335 2.065 50 0 BEAARN COc1ccc(O)c(Br)c1 ZINC000001673669 342708006 /nfs/dbraw/zinc/70/80/06/342708006.db2.gz LTMSUXSPKZRMAB-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN CC(C)OC(=O)C(Cl)(Cl)Cl ZINC000001682285 342708839 /nfs/dbraw/zinc/70/88/39/342708839.db2.gz JYXIYFNAIFVCAN-UHFFFAOYSA-N 0 0 205.468 2.308 50 0 BEAARN Cc1ccc(NC(=O)c2cc[nH]n2)cc1F ZINC000047987176 342711727 /nfs/dbraw/zinc/71/17/27/342711727.db2.gz HKLHGYLEMCYPLC-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN O=c1[nH]n(Cc2ccccc2)c2ccccc12 ZINC000001766857 342712566 /nfs/dbraw/zinc/71/25/66/342712566.db2.gz SXPJFDSMKWLOAB-UHFFFAOYSA-N 0 0 224.263 2.378 50 0 in-vivo BEAARN COC(=O)[C@H](Cc1ccccc1)N[C@H](C)C(C)C ZINC000002027714 342714667 /nfs/dbraw/zinc/71/46/67/342714667.db2.gz WREZKYXHHHBGNI-OCCSQVGLSA-N 0 0 249.354 2.405 50 0 BEAARN CCCCCC[C@@H]1[NH2+][C@@H](C(=O)[O-])CS1 ZINC000002387434 342719794 /nfs/dbraw/zinc/71/97/94/342719794.db2.gz HKDGCSSFNOHHPI-RKDXNWHRSA-N 0 0 217.334 2.073 50 0 BEAARN Clc1cc(Cl)cc(-c2nn[nH]n2)c1 ZINC000002389396 342719817 /nfs/dbraw/zinc/71/98/17/342719817.db2.gz VCYMSAGOTYBIHM-UHFFFAOYSA-N 0 0 215.043 2.174 50 0 BEAARN COC(=O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000002167097 342716452 /nfs/dbraw/zinc/71/64/52/342716452.db2.gz YCVCFIRVQLAKBA-UHFFFAOYSA-N 0 0 240.127 2.098 50 0 BEAARN Cc1ccc(Cl)cc1NC(N)=S ZINC000002169701 342716520 /nfs/dbraw/zinc/71/65/20/342716520.db2.gz VCAAMKSMNMYWFY-UHFFFAOYSA-N 0 0 200.694 2.304 50 0 BEAARN CCC(CC)NC(=O)Nc1cccnc1 ZINC000044889802 168382017 /nfs/dbraw/zinc/38/20/17/168382017.db2.gz AVWZCVALHDIHNF-UHFFFAOYSA-N 0 0 207.277 2.392 50 0 BEAARN [NH3+][C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000002244338 342717448 /nfs/dbraw/zinc/71/74/48/342717448.db2.gz JCZLABDVDPYLRZ-CQSZACIVSA-N 0 0 241.290 2.308 50 0 BEAARN CC(C)c1nc2c(cc1C(N)=O)CCCC2 ZINC000004100683 342742145 /nfs/dbraw/zinc/74/21/45/342742145.db2.gz KUUKLKJHWDVBHV-UHFFFAOYSA-N 0 0 218.300 2.183 50 0 BEAARN CCCc1ccc(C(=O)C(=O)OCC)cc1 ZINC000004255821 342745591 /nfs/dbraw/zinc/74/55/91/342745591.db2.gz CNRWTXQCEJIFSU-UHFFFAOYSA-N 0 0 220.268 2.385 50 0 BEAARN Ic1c[nH]c2ncccc12 ZINC000004352679 342747061 /nfs/dbraw/zinc/74/70/61/342747061.db2.gz BTIANIFSBYIGPA-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN COP1(OC)(OC)OC(C)=C(C)O1 ZINC000004352554 342747188 /nfs/dbraw/zinc/74/71/88/342747188.db2.gz FMHPXHSMBAZDOS-UHFFFAOYSA-N 0 0 210.166 2.352 50 0 BEAARN CCC(CC)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000057563248 168382940 /nfs/dbraw/zinc/38/29/40/168382940.db2.gz LQMNDCKTHVSBKD-ZDUSSCGKSA-N 0 0 233.311 2.295 50 0 BEAARN CC(C)(C)OC(=O)NCC1CCC(=O)CC1 ZINC000002512968 342721761 /nfs/dbraw/zinc/72/17/61/342721761.db2.gz KYOXDOGUXCYNAW-UHFFFAOYSA-N 0 0 227.304 2.270 50 0 BEAARN [NH3+][C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000002533948 342723073 /nfs/dbraw/zinc/72/30/73/342723073.db2.gz YXUSXKBQYIPZDJ-SSDOTTSWSA-N 0 0 220.055 2.078 50 0 biogenic BEAARN Nc1cnn(Cc2cccc(Cl)c2)c1 ZINC000002534296 342723176 /nfs/dbraw/zinc/72/31/76/342723176.db2.gz WHFMWXVGLGPVDW-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN Cn1cc(CNc2cccc(F)c2)cn1 ZINC000002536137 342723177 /nfs/dbraw/zinc/72/31/77/342723177.db2.gz JBPANXRWFZGVMY-UHFFFAOYSA-N 0 0 205.236 2.171 50 0 BEAARN CCOc1ccc2cc(C(=O)OC)[nH]c2c1 ZINC000002534136 342723187 /nfs/dbraw/zinc/72/31/87/342723187.db2.gz IWNHHFCVZHYLBB-UHFFFAOYSA-N 0 0 219.240 2.353 50 0 BEAARN CC(C)(C)OC(=O)NCc1cccc(N)c1 ZINC000002541484 342723632 /nfs/dbraw/zinc/72/36/32/342723632.db2.gz LSOZALWRNWQPLK-UHFFFAOYSA-N 0 0 222.288 2.294 50 0 BEAARN O=C1CCC(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000002559527 342723942 /nfs/dbraw/zinc/72/39/42/342723942.db2.gz WICWMPQLGRMDTD-UHFFFAOYSA-N 0 0 243.184 2.359 50 0 BEAARN O=C(c1ccco1)c1nc(-c2ccco2)c[nH]1 ZINC000002560736 342724328 /nfs/dbraw/zinc/72/43/28/342724328.db2.gz DKZNJXJLTVYBRA-UHFFFAOYSA-N 0 0 228.207 2.494 50 0 BEAARN Nc1cc(F)c(Br)cc1F ZINC000002575681 342725288 /nfs/dbraw/zinc/72/52/88/342725288.db2.gz XOYHFIQPPOJMFK-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Nc1cc(Br)c(F)cc1F ZINC000002580921 342725490 /nfs/dbraw/zinc/72/54/90/342725490.db2.gz FQZCUAASVCIWSL-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Cc1cc(C)cc(O[C@H](C)C(=O)NC2CC2)c1 ZINC000002763082 342726964 /nfs/dbraw/zinc/72/69/64/342726964.db2.gz YNJXDIZTZSIOBS-LLVKDONJSA-N 0 0 233.311 2.349 50 0 BEAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCO1 ZINC000002773679 342727005 /nfs/dbraw/zinc/72/70/05/342727005.db2.gz VWFLYEWALAAOCG-OCCSQVGLSA-N 0 0 247.338 2.303 50 0 BEAARN CCC(CC)NC(=O)[C@H]1CNc2ccccc2O1 ZINC000019423280 168384032 /nfs/dbraw/zinc/38/40/32/168384032.db2.gz XSLBJRMZHBADGW-CYBMUJFWSA-N 0 0 248.326 2.164 50 0 BEAARN Cc1[nH][nH]c(=O)c1CCCOc1ccccc1 ZINC000003056923 342730051 /nfs/dbraw/zinc/73/00/51/342730051.db2.gz ZGGGCGRHWKKLQD-UHFFFAOYSA-N 0 0 232.283 2.435 50 0 BEAARN CCOc1nc2ccccc2cc1C=O ZINC000003289471 342732195 /nfs/dbraw/zinc/73/21/95/342732195.db2.gz CESLWPRTYCZPSW-UHFFFAOYSA-N 0 0 201.225 2.446 50 0 BEAARN Cn1c(Cl)c(C=O)c2cc(C=O)ccc21 ZINC000003287169 342732217 /nfs/dbraw/zinc/73/22/17/342732217.db2.gz DZHRMXYXRVSNFD-UHFFFAOYSA-N 0 0 221.643 2.457 50 0 BEAARN COc1cc(Cl)ccc1NC(=O)CC(C)=O ZINC000003276891 342732236 /nfs/dbraw/zinc/73/22/36/342732236.db2.gz DEUYYSQQVMVIDJ-UHFFFAOYSA-N 0 0 241.674 2.266 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000003747862 342737415 /nfs/dbraw/zinc/73/74/15/342737415.db2.gz AFFQKOXRJTVUEF-NSHDSACASA-N 0 0 239.702 2.389 50 0 BEAARN CC[C@@H](Cc1ccc(C)cc1)NC(=O)C(C)(C)O ZINC000170613039 361874391 /nfs/dbraw/zinc/87/43/91/361874391.db2.gz VEGHPHICFZIHFU-ZDUSSCGKSA-N 0 0 249.354 2.203 50 0 BEAARN CCc1nnc2cc(-c3ccccc3)[nH]n21 ZINC000003848417 342738030 /nfs/dbraw/zinc/73/80/30/342738030.db2.gz WAJPMSGDEWPZCI-UHFFFAOYSA-N 0 0 212.256 2.287 50 0 BEAARN CCCCC(=O)Nc1nnc(SC)s1 ZINC000004659250 342750035 /nfs/dbraw/zinc/75/00/35/342750035.db2.gz KZXUISVBJIJZFS-UHFFFAOYSA-N 0 0 231.346 2.389 50 0 BEAARN Cc1ccnc(NC2=NC[C@@H](C)S2)c1 ZINC000004843361 342753022 /nfs/dbraw/zinc/75/30/22/342753022.db2.gz WRCYDUYHASWKNY-MRVPVSSYSA-N 0 0 207.302 2.293 50 0 BEAARN C[C@@]12C[C@@H](NC(=O)N1)c1cc(Cl)ccc1O2 ZINC000004852772 342753349 /nfs/dbraw/zinc/75/33/49/342753349.db2.gz PQEUXWPZCHVGEW-LDYMZIIASA-N 0 0 238.674 2.193 50 0 BEAARN O=C1CCc2cc(Br)ccc2O1 ZINC000004962205 342755106 /nfs/dbraw/zinc/75/51/06/342755106.db2.gz FFZQWUVOIMYRKC-UHFFFAOYSA-N 0 0 227.057 2.301 50 0 BEAARN COCc1ccc(C(=O)NCc2ccco2)cc1 ZINC000004986241 342755600 /nfs/dbraw/zinc/75/56/00/342755600.db2.gz NUDSPDQAEAGXQP-UHFFFAOYSA-N 0 0 245.278 2.356 50 0 BEAARN Cc1nc(C(=O)O[C@@H]2CCSC2)cs1 ZINC000170621433 361891645 /nfs/dbraw/zinc/89/16/45/361891645.db2.gz DPKDKAVWPDCLHA-SSDOTTSWSA-N 0 0 229.326 2.114 50 0 BEAARN Cc1nc(C(=O)O[C@H](C)C2CC2)cs1 ZINC000170621286 361891742 /nfs/dbraw/zinc/89/17/42/361891742.db2.gz NFRBCBQUCYSGKL-ZCFIWIBFSA-N 0 0 211.286 2.407 50 0 BEAARN Cc1nc(C(=O)OC[C@@H]2C[C@H]2C)cs1 ZINC000170621291 361892051 /nfs/dbraw/zinc/89/20/51/361892051.db2.gz IUMXXYSIBNTITD-SVRRBLITSA-N 0 0 211.286 2.264 50 0 BEAARN Nc1nc(C(F)(F)F)c(Cl)s1 ZINC000005161601 342758973 /nfs/dbraw/zinc/75/89/73/342758973.db2.gz WYSFDPSQZUDQKO-UHFFFAOYSA-N 0 0 202.588 2.398 50 0 BEAARN CC(=O)Oc1cccc(Br)c1 ZINC000005166902 342759318 /nfs/dbraw/zinc/75/93/18/342759318.db2.gz CDLTWXBTYNNYLN-UHFFFAOYSA-N 0 0 215.046 2.374 50 0 BEAARN Clc1cccc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000005886377 342771294 /nfs/dbraw/zinc/77/12/94/342771294.db2.gz SCWUUGGZFNAMCV-LLVKDONJSA-N 0 0 233.702 2.298 50 0 BEAARN CCOc1ccccc1C1N=NC(=S)O1 ZINC000005935733 342771793 /nfs/dbraw/zinc/77/17/93/342771793.db2.gz VTXLLACKNPVAJW-UHFFFAOYSA-N 0 0 222.269 2.424 50 0 BEAARN O=C(c1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000005947198 342771803 /nfs/dbraw/zinc/77/18/03/342771803.db2.gz XTJIDQBILYRXBC-AWEZNQCLSA-N 0 0 226.275 2.473 50 0 BEAARN Cc1cnn(C(=S)NCCc2ccccc2)c1 ZINC000006492396 342778538 /nfs/dbraw/zinc/77/85/38/342778538.db2.gz ONLWUDAJVPMEMR-UHFFFAOYSA-N 0 0 245.351 2.157 50 0 aggregator BEAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCO2)c1 ZINC000006255514 342775639 /nfs/dbraw/zinc/77/56/39/342775639.db2.gz MKUPZMXIFCDHMK-GFCCVEGCSA-N 0 0 219.284 2.421 50 0 BEAARN Cc1cnc(C(=O)Nc2ccccc2)cn1 ZINC000006338500 342776507 /nfs/dbraw/zinc/77/65/07/342776507.db2.gz MRTKYWKSRONXOV-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN CCOc1ccc(-c2c[nH]nc2N)cc1 ZINC000008580628 342801008 /nfs/dbraw/zinc/80/10/08/342801008.db2.gz MWGLCDXAHJMSHD-UHFFFAOYSA-N 0 0 203.245 2.058 50 0 BEAARN C[C@]1(CO)CCC[C@@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000107157961 398286907 /nfs/dbraw/zinc/28/69/07/398286907.db2.gz YVHDZSLHMGJAGE-MBNYWOFBSA-N 0 0 237.343 2.010 50 0 BEAARN Clc1ccc(I)nc1 ZINC000008698214 342802306 /nfs/dbraw/zinc/80/23/06/342802306.db2.gz CXWLXKZIXLOBCC-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN C[C@]1(CO)CCC[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000107157966 398286915 /nfs/dbraw/zinc/28/69/15/398286915.db2.gz YVHDZSLHMGJAGE-YRGRVCCFSA-N 0 0 237.343 2.010 50 0 BEAARN Nc1ccc(-c2ccnc(Cl)n2)cc1 ZINC000107147156 398287071 /nfs/dbraw/zinc/28/70/71/398287071.db2.gz RNRRNCPSXOTLIS-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN CC(C)C[C@@H](CO)NC(=O)Nc1cccs1 ZINC000071910261 342780041 /nfs/dbraw/zinc/78/00/41/342780041.db2.gz NAFIGQIDIXDSOJ-VIFPVBQESA-N 0 0 242.344 2.277 50 0 BEAARN O=C1CNc2ccc(C(F)(F)F)cc2N1 ZINC000006657973 342780239 /nfs/dbraw/zinc/78/02/39/342780239.db2.gz DYBIQELZTJXUKA-UHFFFAOYSA-N 0 0 216.162 2.069 50 0 in-vitro BEAARN C[C@H](Cc1n[nH]c(=S)n1N)c1ccccc1 ZINC000006680579 342780935 /nfs/dbraw/zinc/78/09/35/342780935.db2.gz PEJAZZXFIYYNIB-MRVPVSSYSA-N 0 0 234.328 2.001 50 0 BEAARN Cc1cc(=O)oc(C)c1C(=O)N1CCCC[C@@H]1C ZINC000040489319 538971903 /nfs/dbraw/zinc/97/19/03/538971903.db2.gz QFWDOPUHPPMIBJ-JTQLQIEISA-N 0 0 249.310 2.271 50 0 BEAARN CCCCS(=O)(=O)Nc1cccc(OC)c1 ZINC000006706560 342781544 /nfs/dbraw/zinc/78/15/44/342781544.db2.gz HSNWPSMLBDWEER-UHFFFAOYSA-N 0 0 243.328 2.237 50 0 BEAARN O=S1(=O)C=C[C@@H](Nc2ccccc2Cl)C1 ZINC000006730625 342781677 /nfs/dbraw/zinc/78/16/77/342781677.db2.gz JBHROEWOHMPKAT-MRVPVSSYSA-N 0 0 243.715 2.063 50 0 BEAARN CCC(CC)NS(=O)(=O)Cc1ccccc1 ZINC000000031019 168390234 /nfs/dbraw/zinc/39/02/34/168390234.db2.gz XIOIYPYLRWSWOE-UHFFFAOYSA-N 0 0 241.356 2.295 50 0 BEAARN CCCn1cc(N[C@H](C)c2nc(CC)no2)cn1 ZINC000097377354 342792287 /nfs/dbraw/zinc/79/22/87/342792287.db2.gz PIYHZESERMPNHM-SECBINFHSA-N 0 0 249.318 2.412 50 0 BEAARN Cc1cnc(NC(=O)c2ccc(C)nc2)s1 ZINC000044895872 178439097 /nfs/dbraw/zinc/43/90/97/178439097.db2.gz ZOJQLFKGGJPJHA-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ccc(C(=O)Nc2nncs2)c(C)c1 ZINC000021214092 178440309 /nfs/dbraw/zinc/44/03/09/178440309.db2.gz XDBOARUFYJHNQH-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Nc1nc(CN2CCCCC2)nc2ccccc12 ZINC000007989008 342795583 /nfs/dbraw/zinc/79/55/83/342795583.db2.gz RGUQIPYZEXPDMY-UHFFFAOYSA-N 0 0 242.326 2.198 50 0 BEAARN Cc1cc(C(=O)NCc2ccccc2C)on1 ZINC000008367301 342798710 /nfs/dbraw/zinc/79/87/10/342798710.db2.gz SZFOCGNOZWBHRV-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN Cc1nc(CN2c3ccccc3C[C@H]2C)no1 ZINC000051087618 346863559 /nfs/dbraw/zinc/86/35/59/346863559.db2.gz UNBUBMGTWCNPGD-SECBINFHSA-N 0 0 229.283 2.329 50 0 BEAARN Cc1nc(Nc2ccccc2)[nH]c(=O)c1C ZINC000009264672 342811612 /nfs/dbraw/zinc/81/16/12/342811612.db2.gz AFPHLTGBRIZBFM-UHFFFAOYSA-N 0 0 215.256 2.130 50 0 BEAARN CON(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000008730048 342803698 /nfs/dbraw/zinc/80/36/98/342803698.db2.gz YFDOMHRDNWBTMU-UHFFFAOYSA-N 0 0 233.189 2.339 50 0 BEAARN O=c1cc(NC[C@@H]2CCCO2)c2ccccc2o1 ZINC000009053324 342807622 /nfs/dbraw/zinc/80/76/22/342807622.db2.gz YYOPVRZWMGSFGG-JTQLQIEISA-N 0 0 245.278 2.384 50 0 BEAARN Cc1ccc(F)cc1NC(=O)CN1CCCC1 ZINC000009096036 342807936 /nfs/dbraw/zinc/80/79/36/342807936.db2.gz KXICSKANBJEBMW-UHFFFAOYSA-N 0 0 236.290 2.168 50 0 BEAARN CC(=O)N=c1scc(C)n1C(C)(C)C ZINC000254287728 398292574 /nfs/dbraw/zinc/29/25/74/398292574.db2.gz CTZQGOCIVWNSGO-UHFFFAOYSA-N 0 0 212.318 2.060 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C)no1 ZINC000044633351 538989796 /nfs/dbraw/zinc/98/97/96/538989796.db2.gz KFQKLEKLQVBOBR-XRNSZHNASA-N 0 0 234.299 2.303 50 0 BEAARN Cc1ccc([C@@]2(C(F)(F)F)CCNC(=O)O2)o1 ZINC000044980276 538991047 /nfs/dbraw/zinc/99/10/47/538991047.db2.gz GOEVECCFNRFQTB-SECBINFHSA-N 0 0 249.188 2.476 50 0 BEAARN Cc1cc(-c2cn[nH]c2)nc(C(C)C)n1 ZINC000032565424 342838346 /nfs/dbraw/zinc/83/83/46/342838346.db2.gz QNYBQVWBCKIUSB-UHFFFAOYSA-N 0 0 202.261 2.299 50 0 BEAARN CCc1ccc(CCC(=O)NC2CC2)cc1 ZINC000010338392 342835714 /nfs/dbraw/zinc/83/57/14/342835714.db2.gz CIBDACKCURCHII-UHFFFAOYSA-N 0 0 217.312 2.460 50 0 BEAARN Cc1ccc(C[N@H+](CC(=O)[O-])C2CC2)cc1C ZINC000042325692 361980485 /nfs/dbraw/zinc/98/04/85/361980485.db2.gz YEBIGLDDRGQWHE-UHFFFAOYSA-N 0 0 233.311 2.352 50 0 BEAARN C[C@@H](O)CNc1nc(Cl)nc2ccccc21 ZINC000011756469 342843340 /nfs/dbraw/zinc/84/33/40/342843340.db2.gz LKHJLQFUNUCSQZ-SSDOTTSWSA-N 0 0 237.690 2.076 50 0 BEAARN Nc1nc2c(s1)[C@@H](c1ccccc1)CC(=O)N2 ZINC000012376141 342850402 /nfs/dbraw/zinc/85/04/02/342850402.db2.gz NYTDQYAFVXMVKC-MRVPVSSYSA-N 0 0 245.307 2.199 50 0 BEAARN C[C@@H](CC(N)=S)n1ccc(C(F)(F)F)n1 ZINC000012394414 342851011 /nfs/dbraw/zinc/85/10/11/342851011.db2.gz OYTOGZZACQKRKK-YFKPBYRVSA-N 0 0 237.250 2.139 50 0 BEAARN Oc1csc(Nc2cccc(Cl)c2)n1 ZINC000012393135 342851052 /nfs/dbraw/zinc/85/10/52/342851052.db2.gz HDPOWWWAERDNOX-UHFFFAOYSA-N 0 0 226.688 2.381 50 0 BEAARN CC1N=NC(=O)O[C@]1(C)CCc1ccccc1 ZINC000012416851 342851807 /nfs/dbraw/zinc/85/18/07/342851807.db2.gz XQPUETWVLCRNFJ-CYBMUJFWSA-N 0 0 232.283 2.494 50 0 BEAARN CCOc1ccc(NC(N)=S)cc1OCC ZINC000012505972 342852934 /nfs/dbraw/zinc/85/29/34/342852934.db2.gz RVYNTSSFWGHQQW-UHFFFAOYSA-N 0 0 240.328 2.140 50 0 BEAARN CCCn1nccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000032611535 342855422 /nfs/dbraw/zinc/85/54/22/342855422.db2.gz BEIJMEXWJWAPKH-VXGBXAGGSA-N 0 0 249.358 2.411 50 0 BEAARN CC(C)n1cnnc1S[C@@H]1CCCCC1=O ZINC000032669898 342861147 /nfs/dbraw/zinc/86/11/47/342861147.db2.gz HWMJDZZHDFAHBK-SNVBAGLBSA-N 0 0 239.344 2.463 50 0 BEAARN Cc1cc(=O)[nH]c(NCc2ccc(Cl)cc2)n1 ZINC000013113929 342863617 /nfs/dbraw/zinc/86/36/17/342863617.db2.gz MKLNWHIFBWASRP-UHFFFAOYSA-N 0 0 249.701 2.344 50 0 BEAARN Cc1cccc(C)c1C(=O)N1CC(CF)C1 ZINC000335645852 136244084 /nfs/dbraw/zinc/24/40/84/136244084.db2.gz YBMTXNNTNYQBHV-UHFFFAOYSA-N 0 0 221.275 2.345 50 0 BEAARN Cc1ccc(C(F)(F)F)c(NN)c1F ZINC000002509697 178456497 /nfs/dbraw/zinc/45/64/97/178456497.db2.gz JVGSQAUAPXBNAR-UHFFFAOYSA-N 0 0 208.158 2.439 50 0 BEAARN C[C@@H]1SC(=O)C[C@H]1[C@]1(C)C=CC(=O)S1 ZINC000004419540 342865521 /nfs/dbraw/zinc/86/55/21/342865521.db2.gz KJHMPSABSLBBRF-PJKMHFRUSA-N 0 0 228.338 2.243 50 0 BEAARN CC(=O)NCCSCc1ccccc1F ZINC000013647409 342869172 /nfs/dbraw/zinc/86/91/72/342869172.db2.gz PDCANYYGMPWXDU-UHFFFAOYSA-N 0 0 227.304 2.195 50 0 BEAARN C[C@H](N(C)c1ncnc2c1cnn2C)C(C)(C)C ZINC000032779348 342874861 /nfs/dbraw/zinc/87/48/61/342874861.db2.gz AJZXKNDERCPEPH-VIFPVBQESA-N 0 0 247.346 2.234 50 0 BEAARN O=C(c1cccc2ncccc21)N1CCCC1 ZINC000014239230 342878302 /nfs/dbraw/zinc/87/83/02/342878302.db2.gz WDCFCHUHSHXLHT-UHFFFAOYSA-N 0 0 226.279 2.471 50 0 BEAARN Nc1ccc([C@H](O)c2cccs2)cc1 ZINC000015635410 342899109 /nfs/dbraw/zinc/89/91/09/342899109.db2.gz XXLWYSCBAVIWMJ-NSHDSACASA-N 0 0 205.282 2.412 50 0 BEAARN CCC[C@H]1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000014345147 342879784 /nfs/dbraw/zinc/87/97/84/342879784.db2.gz FWOZAMQZJCHSIB-GFCCVEGCSA-N 0 0 246.310 2.216 50 0 BEAARN Cc1cc(C)cc(OCC(=O)NCC(C)C)c1 ZINC000014398147 342880031 /nfs/dbraw/zinc/88/00/31/342880031.db2.gz YAFPBTDRHHUDDI-UHFFFAOYSA-N 0 0 235.327 2.454 50 0 BEAARN CN(C)c1cc(CNC(=O)CC(C)(C)C)ccn1 ZINC000032830780 342880734 /nfs/dbraw/zinc/88/07/34/342880734.db2.gz PDAODNYTYCCGBA-UHFFFAOYSA-N 0 0 249.358 2.200 50 0 BEAARN CCSc1nnc2c3ccccc3ncn12 ZINC000004537035 342881697 /nfs/dbraw/zinc/88/16/97/342881697.db2.gz BJQUIEWDGZWEPD-UHFFFAOYSA-N 0 0 230.296 2.390 50 0 BEAARN Nc1cc(F)ccc1OC[C@@H]1CCCCO1 ZINC000014629860 342882856 /nfs/dbraw/zinc/88/28/56/342882856.db2.gz ZOAQUIWZZYQJRO-JTQLQIEISA-N 0 0 225.263 2.356 50 0 BEAARN Cc1ccc(N)c(OC[C@@H]2CCCO2)c1 ZINC000014629704 342882858 /nfs/dbraw/zinc/88/28/58/342882858.db2.gz UIGLNHKUZFXTLT-JTQLQIEISA-N 0 0 207.273 2.135 50 0 BEAARN CCOc1ccc(C(=O)[O-])cc1C[NH+]1CCCC1 ZINC000016649405 342913727 /nfs/dbraw/zinc/91/37/27/342913727.db2.gz VRJSSHMREOLMJU-UHFFFAOYSA-N 0 0 249.310 2.379 50 0 BEAARN Cc1ccc(NC(=O)Nc2cnccn2)cc1 ZINC000015973897 342903834 /nfs/dbraw/zinc/90/38/34/342903834.db2.gz XFSDWGWRKPVERM-UHFFFAOYSA-N 0 0 228.255 2.429 50 0 BEAARN Cc1nc(CSc2ccccc2)cc(=O)[nH]1 ZINC000015987502 342904339 /nfs/dbraw/zinc/90/43/39/342904339.db2.gz XYJWZPBOPQEQRO-UHFFFAOYSA-N 0 0 232.308 2.371 50 0 BEAARN CC(=O)c1c(C)nc(-c2ccc(F)cc2)n1O ZINC000011535772 346871360 /nfs/dbraw/zinc/87/13/60/346871360.db2.gz FXOYRSCZAMQPAG-UHFFFAOYSA-N 0 0 234.230 2.438 50 0 BEAARN COC(=O)C1(c2ccccc2)CCC(=O)CC1 ZINC000016698072 342914359 /nfs/dbraw/zinc/91/43/59/342914359.db2.gz GGXCTCTZXOECJP-UHFFFAOYSA-N 0 0 232.279 2.241 50 0 BEAARN COc1cc(C=O)ccc1-n1cnc(C)c1 ZINC000016698219 342914521 /nfs/dbraw/zinc/91/45/21/342914521.db2.gz ZPKLQDKQGVSJST-UHFFFAOYSA-N 0 0 216.240 2.002 50 0 BEAARN CCCc1nnc(NC(=O)C2CCC2)s1 ZINC000017043746 342919677 /nfs/dbraw/zinc/91/96/77/342919677.db2.gz KBDXLOMDBGMLBP-UHFFFAOYSA-N 0 0 225.317 2.229 50 0 BEAARN Cc1nn(-c2ccccc2)c2[nH]c(=O)cc(C)c12 ZINC000017989125 342929809 /nfs/dbraw/zinc/92/98/09/342929809.db2.gz UDMZYYIDYQVBJX-UHFFFAOYSA-N 0 0 239.278 2.331 50 0 BEAARN c1cn(-c2ccc(-c3csnn3)cc2)cn1 ZINC000004002488 398327518 /nfs/dbraw/zinc/32/75/18/398327518.db2.gz QDXHANXUOOBFBZ-UHFFFAOYSA-N 0 0 228.280 2.391 50 0 BEAARN Cc1ccc(C)c(C(=O)N2CCC[C@H](CO)C2)c1 ZINC000032720117 178465192 /nfs/dbraw/zinc/46/51/92/178465192.db2.gz OGSDMJTVBXNFEF-ZDUSSCGKSA-N 0 0 247.338 2.148 50 0 BEAARN Cc1c(N)cccc1C(=O)Nc1nccs1 ZINC000019093870 342941754 /nfs/dbraw/zinc/94/17/54/342941754.db2.gz BKVQFZRVHJIGLA-UHFFFAOYSA-N 0 0 233.296 2.286 50 0 BEAARN Cc1ncc(CN(C)[C@H](C)c2ccccn2)cn1 ZINC000351755215 136251659 /nfs/dbraw/zinc/25/16/59/136251659.db2.gz DQPKZRRHHYWOCX-LLVKDONJSA-N 0 0 242.326 2.373 50 0 BEAARN Fc1cccc(-c2noc3c2C[NH2+]CC3)c1 ZINC000019200212 342943407 /nfs/dbraw/zinc/94/34/07/342943407.db2.gz FLAOUDPXYMNWMD-UHFFFAOYSA-N 0 0 218.231 2.126 50 0 BEAARN Nc1cccc(C(=O)NCc2ccccc2F)c1 ZINC000019255252 342944726 /nfs/dbraw/zinc/94/47/26/342944726.db2.gz OMTIMLNUDSUWPU-UHFFFAOYSA-N 0 0 244.269 2.338 50 0 BEAARN Cc1ccc(NC(=O)c2ccncc2)cc1N ZINC000019427145 342948624 /nfs/dbraw/zinc/94/86/24/342948624.db2.gz MVDLFTNAFBNWGH-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN CC(C)[C@H]1CC(=O)N1C(=O)OC(C)(C)C ZINC000072481900 259333156 /nfs/dbraw/zinc/33/31/56/259333156.db2.gz GHJDWXKOEPOVGM-MRVPVSSYSA-N 0 0 213.277 2.178 50 0 BEAARN CCc1ccc(-c2noc([C@@H](C)N)n2)cc1 ZINC000019785450 342957522 /nfs/dbraw/zinc/95/75/22/342957522.db2.gz CDRBKBSMQVZNPZ-MRVPVSSYSA-N 0 0 217.272 2.319 50 0 BEAARN CC(C)[C@H]([NH2+]Cc1ccccc1F)C(=O)[O-] ZINC000019787742 342957527 /nfs/dbraw/zinc/95/75/27/342957527.db2.gz DVKGSFRTYMCTCD-NSHDSACASA-N 0 0 225.263 2.025 50 0 BEAARN CC(C)(C)NC(=O)c1ccnc(Cl)c1 ZINC000019813377 342958579 /nfs/dbraw/zinc/95/85/79/342958579.db2.gz AJRNKJBMKLQFIM-UHFFFAOYSA-N 0 0 212.680 2.263 50 0 BEAARN Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000019874700 342960451 /nfs/dbraw/zinc/96/04/51/342960451.db2.gz JYAZWZSSQVPWDK-UHFFFAOYSA-N 0 0 230.311 2.348 50 0 BEAARN Cc1nc(N)c(Br)cc1Cl ZINC000020134700 342971015 /nfs/dbraw/zinc/97/10/15/342971015.db2.gz HGFZVEQGFCBJSP-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN Cc1onc(-c2ccc(F)cc2)c1CO ZINC000019948397 342964311 /nfs/dbraw/zinc/96/43/11/342964311.db2.gz YTPVTPNVCHCMAT-UHFFFAOYSA-N 0 0 207.204 2.281 50 0 BEAARN Nc1ccc(Cl)c(NC(=O)C2CC2)c1 ZINC000020343030 342982281 /nfs/dbraw/zinc/98/22/81/342982281.db2.gz NOVUWCLIVVWLQI-UHFFFAOYSA-N 0 0 210.664 2.271 50 0 BEAARN CCc1nccn1-c1ccc(N)cc1F ZINC000020352175 342982752 /nfs/dbraw/zinc/98/27/52/342982752.db2.gz YYMYUROTYQICPP-UHFFFAOYSA-N 0 0 205.236 2.156 50 0 BEAARN Cc1nc(N)c(C(N)=O)c(-c2ccccc2)c1C ZINC000020366643 342984153 /nfs/dbraw/zinc/98/41/53/342984153.db2.gz DSGTXRTUXYLXCR-UHFFFAOYSA-N 0 0 241.294 2.047 50 0 BEAARN CC[C@H](Oc1cccc(C)c1C)C(=O)NC ZINC000020460838 342985775 /nfs/dbraw/zinc/98/57/75/342985775.db2.gz VBUAZSIMZJCEHF-NSHDSACASA-N 0 0 221.300 2.207 50 0 BEAARN CC(C)(C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000020936277 342999912 /nfs/dbraw/zinc/99/99/12/342999912.db2.gz AWNYJTILYUWQCY-UHFFFAOYSA-N 0 0 233.271 2.198 50 0 BEAARN CCCCCCC(=O)CC1OCCO1 ZINC000085652278 259339274 /nfs/dbraw/zinc/33/92/74/259339274.db2.gz JNSGPYUCLBNKIM-UHFFFAOYSA-N 0 0 200.278 2.289 50 0 BEAARN O=C(c1ccc(Cl)cc1O)N1CCCC1 ZINC000012904517 346917616 /nfs/dbraw/zinc/91/76/16/346917616.db2.gz USPPAGQZBDVLAU-UHFFFAOYSA-N 0 0 225.675 2.282 50 0 BEAARN CCOC(=O)/C=C\c1ccc(OC)cc1 ZINC000017197580 187221539 /nfs/dbraw/zinc/22/15/39/187221539.db2.gz DHNGCHLFKUPGPX-TWGQIWQCSA-N 0 0 206.241 2.272 50 0 biogenic,in-vitro BEAARN Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000021967580 343031543 /nfs/dbraw/zinc/03/15/43/343031543.db2.gz PJCAHHYYWBCYGX-UHFFFAOYSA-N 0 0 202.213 2.114 50 0 BEAARN CC(C)n1nccc1NC(=O)c1cccnc1 ZINC000022288933 343046270 /nfs/dbraw/zinc/04/62/70/343046270.db2.gz KKWSJGCQYPKPSY-UHFFFAOYSA-N 0 0 230.271 2.111 50 0 BEAARN Cc1occc1C(=O)Nc1ccc(N(C)C)nc1 ZINC000022419735 343048788 /nfs/dbraw/zinc/04/87/88/343048788.db2.gz ZHVHSYCFDFCLQG-UHFFFAOYSA-N 0 0 245.282 2.301 50 0 BEAARN C[C@H](CCc1ccccc1)[NH+]1CCN(C)CC1 ZINC000022456123 343049239 /nfs/dbraw/zinc/04/92/39/343049239.db2.gz XOKGAOFSSSIMKP-CQSZACIVSA-N 0 0 232.371 2.255 50 0 BEAARN CCCCCC[C@H]1C[C@@H](C)N(CCO)C1=O ZINC000005244905 343050297 /nfs/dbraw/zinc/05/02/97/343050297.db2.gz OGJHQQJFKJKOEB-NEPJUHHUSA-N 0 0 227.348 2.186 50 0 BEAARN NNc1cc(C(F)(F)F)cc(Cl)n1 ZINC000022996610 343057357 /nfs/dbraw/zinc/05/73/57/343057357.db2.gz JFACCCFLLFQERY-UHFFFAOYSA-N 0 0 211.574 2.039 50 0 BEAARN CONC(=O)c1occc1COc1ccccc1 ZINC000023041213 343057822 /nfs/dbraw/zinc/05/78/22/343057822.db2.gz XSNWBDVBLSVFMU-UHFFFAOYSA-N 0 0 247.250 2.150 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000023039763 343057975 /nfs/dbraw/zinc/05/79/75/343057975.db2.gz DRXKPGOFEWGNPE-ONGXEEELSA-N 0 0 247.294 2.442 50 0 BEAARN Cc1ccc2c(NC(=O)c3ccco3)noc2n1 ZINC000023128141 343059716 /nfs/dbraw/zinc/05/97/16/343059716.db2.gz YHLFSMITYJTDAT-UHFFFAOYSA-N 0 0 243.222 2.377 50 0 BEAARN CNC(=O)c1ccccc1C(F)(F)F ZINC000006228502 343068210 /nfs/dbraw/zinc/06/82/10/343068210.db2.gz HUQWVSQZLAQZSF-UHFFFAOYSA-N 0 0 203.163 2.065 50 0 BEAARN Cn1cc(C(=O)Nc2nc(C3CC3)cs2)cn1 ZINC000025562302 343092122 /nfs/dbraw/zinc/09/21/22/343092122.db2.gz XNMLEGIOIJZFDI-UHFFFAOYSA-N 0 0 248.311 2.006 50 0 BEAARN COc1cc2c(cc1OC)NC(=O)CCCC2 ZINC000584883792 343086946 /nfs/dbraw/zinc/08/69/46/343086946.db2.gz JMDATMZVJJFUOH-UHFFFAOYSA-N 0 0 235.283 2.369 50 0 BEAARN CC(C)[C@H](C)NC(=O)c1ccc2c(c1)OCCO2 ZINC000025975694 343098367 /nfs/dbraw/zinc/09/83/67/343098367.db2.gz CMUINWSSTLVSEG-JTQLQIEISA-N 0 0 249.310 2.232 50 0 BEAARN Cc1ccc(CCC(=O)N2CCC2)cc1 ZINC000032845862 343102801 /nfs/dbraw/zinc/10/28/01/343102801.db2.gz FLOSVTMBRRTNOR-UHFFFAOYSA-N 0 0 203.285 2.160 50 0 BEAARN O=c1ccc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000026420408 343104778 /nfs/dbraw/zinc/10/47/78/343104778.db2.gz XNYLGZGSUSLBKD-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN Fc1ccc(N2CCn3c(=S)[nH]nc32)cc1 ZINC000026421932 343104856 /nfs/dbraw/zinc/10/48/56/343104856.db2.gz LPPXEZKRYNZZDO-UHFFFAOYSA-N 0 0 236.275 2.231 50 0 BEAARN Cc1c(Br)cnc2nccnc12 ZINC000026459805 343105499 /nfs/dbraw/zinc/10/54/99/343105499.db2.gz BHHMPZQRVWVAAR-UHFFFAOYSA-N 0 0 224.061 2.096 50 0 BEAARN C[C@H](CO)[C@@H]1CC[C@H]2[C@@H](O)CCC[C@@]21C ZINC000026522185 343106716 /nfs/dbraw/zinc/10/67/16/343106716.db2.gz FUBPRYXDIHQLGH-QNWJLWSRSA-N 0 0 212.333 2.192 50 0 BEAARN Cc1cn2nc(NCC(C)C)sc2n1 ZINC000026691082 343107638 /nfs/dbraw/zinc/10/76/38/343107638.db2.gz QDYFNMGIXPNUSP-UHFFFAOYSA-N 0 0 210.306 2.167 50 0 BEAARN Cc1ccsc1CNC(=O)C1CCOCC1 ZINC000025717992 343095274 /nfs/dbraw/zinc/09/52/74/343095274.db2.gz FDSGJNRYYHFINC-UHFFFAOYSA-N 0 0 239.340 2.099 50 0 BEAARN Cc1noc2ncc(C(=O)N[C@@H](C)C3CC3)cc12 ZINC000025773413 343095514 /nfs/dbraw/zinc/09/55/14/343095514.db2.gz HCFZHUPZTPPBKA-ZETCQYMHSA-N 0 0 245.282 2.060 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013327490 362102517 /nfs/dbraw/zinc/10/25/17/362102517.db2.gz VNZRLJBSEBRLBD-SCZZXKLOSA-N 0 0 233.267 2.052 50 0 BEAARN C[C@H](N[S@@](=O)C(C)(C)C)c1ccc(F)cn1 ZINC000143254659 343121386 /nfs/dbraw/zinc/12/13/86/343121386.db2.gz BAWJTWRNDKQESC-ZKANADHPSA-N 0 0 244.335 2.334 50 0 BEAARN CCOc1ncccc1NC(=O)c1ccncc1 ZINC000027587758 343122285 /nfs/dbraw/zinc/12/22/85/343122285.db2.gz LXJBAYWOTQQMSB-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN CC(C)(C)NC(=O)c1cc(F)ccc1F ZINC000028210742 343127630 /nfs/dbraw/zinc/12/76/30/343127630.db2.gz GBXUNQWHLTWKOY-UHFFFAOYSA-N 0 0 213.227 2.493 50 0 BEAARN O=c1cc(-c2ccccc2)nc2c(O)cccn12 ZINC000028711584 343131577 /nfs/dbraw/zinc/13/15/77/343131577.db2.gz IBABINYRIHLPGY-UHFFFAOYSA-N 0 0 238.246 2.067 50 0 BEAARN CCOc1ccc(-c2cnoc2N)cc1 ZINC000004839458 343139228 /nfs/dbraw/zinc/13/92/28/343139228.db2.gz MZAWAPZCMJDJDI-UHFFFAOYSA-N 0 0 204.229 2.323 50 0 BEAARN Nc1ccc2[nH]c(-c3cc(O)ccc3N)nc2c1 ZINC000000075591 187244003 /nfs/dbraw/zinc/24/40/03/187244003.db2.gz NLEWYRAKUUQYJP-UHFFFAOYSA-N 0 0 240.266 2.100 50 0 BEAARN CNC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000000133597 187244135 /nfs/dbraw/zinc/24/41/35/187244135.db2.gz FBLFGMFNFANODE-UHFFFAOYSA-N 0 0 237.258 2.258 50 0 BEAARN CC(=O)NCCc1c(F)cccc1Cl ZINC000000140197 187244142 /nfs/dbraw/zinc/24/41/42/187244142.db2.gz WWXZFVXLWBPAHE-UHFFFAOYSA-N 0 0 215.655 2.158 50 0 BEAARN Cc1ccc(C)c(CC(=O)NC[C@H]2CCCO2)c1 ZINC000030753878 343197344 /nfs/dbraw/zinc/19/73/44/343197344.db2.gz KXOUVQWHANSAFS-CQSZACIVSA-N 0 0 247.338 2.141 50 0 BEAARN CCc1ccc(-c2cc(C(=O)OC)n[nH]2)cc1 ZINC000030769205 343197883 /nfs/dbraw/zinc/19/78/83/343197883.db2.gz CIDCETQUURRJKO-UHFFFAOYSA-N 0 0 230.267 2.426 50 0 BEAARN CC(C)(C)OC(=O)N[C@H](CO)c1ccccc1 ZINC000002564780 187245999 /nfs/dbraw/zinc/24/59/99/187245999.db2.gz IBDIOGYTZBKRGI-LLVKDONJSA-N 0 0 237.299 2.245 50 0 BEAARN C=COCCNC(=O)Nc1ccc(F)cc1 ZINC000002983323 187246069 /nfs/dbraw/zinc/24/60/69/187246069.db2.gz WAYVODUMORVWBS-UHFFFAOYSA-N 0 0 224.235 2.107 50 0 BEAARN CCOC(=O)/C=C/c1ccc(Cl)nc1 ZINC000002526503 187246441 /nfs/dbraw/zinc/24/64/41/187246441.db2.gz FHRIBCCVJCCJCZ-GQCTYLIASA-N 0 0 211.648 2.311 50 0 BEAARN COc1ccc(Br)c(C=O)c1OC ZINC000002546583 187246452 /nfs/dbraw/zinc/24/64/52/187246452.db2.gz BXASBZFXGUZRDR-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN CC(C)Cn1c2ccccc2cc(C=O)c1=O ZINC000003882761 187246585 /nfs/dbraw/zinc/24/65/85/187246585.db2.gz YNUXUYBQJKXQHM-UHFFFAOYSA-N 0 0 229.279 2.470 50 0 biogenic BEAARN Cc1cnn(C(=S)NCc2ccc(C)cc2)c1 ZINC000013330999 362125210 /nfs/dbraw/zinc/12/52/10/362125210.db2.gz ATWVXAJVKMCEDK-UHFFFAOYSA-N 0 0 245.351 2.423 50 0 BEAARN CCc1ccc(C(=O)NC[C@@H]2CCCO2)s1 ZINC000013331161 362125765 /nfs/dbraw/zinc/12/57/65/362125765.db2.gz WRSGJEJLDKBWHA-VIFPVBQESA-N 0 0 239.340 2.219 50 0 BEAARN CN(C)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000005334354 187247644 /nfs/dbraw/zinc/24/76/44/187247644.db2.gz XTIZNMGZFPOBET-UHFFFAOYSA-N 0 0 232.205 2.253 50 0 BEAARN CCn1ccc(C(=O)Nc2cccc(C)c2)n1 ZINC000006731163 187248461 /nfs/dbraw/zinc/24/84/61/187248461.db2.gz PKALHKPHMIEWED-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CC(=O)CCc1c(C)[nH]c2ccccc2c1=O ZINC000008609700 187248662 /nfs/dbraw/zinc/24/86/62/187248662.db2.gz JJTBQQQQMUTHSW-UHFFFAOYSA-N 0 0 229.279 2.358 50 0 biogenic BEAARN COc1ccccc1NC(=O)N1CCCC1 ZINC000006728937 187248800 /nfs/dbraw/zinc/24/88/00/187248800.db2.gz FEXGBMCSZOQUTQ-UHFFFAOYSA-N 0 0 220.272 2.323 50 0 BEAARN COc1ccccc1NC(=O)C[NH2+]C(C)(C)C ZINC000008187836 187248835 /nfs/dbraw/zinc/24/88/35/187248835.db2.gz LHGHWELFJIVTFC-UHFFFAOYSA-N 0 0 236.315 2.022 50 0 BEAARN Cc1cc(C)c2c(-n3cccc3)nn(C)c2n1 ZINC000006189389 187248951 /nfs/dbraw/zinc/24/89/51/187248951.db2.gz MNAQRWTVZJATSM-UHFFFAOYSA-N 0 0 226.283 2.376 50 0 BEAARN CCc1cccc(CC)c1NC(=O)COC ZINC000000620181 187244897 /nfs/dbraw/zinc/24/48/97/187244897.db2.gz ISACFTOZZJVUOK-UHFFFAOYSA-N 0 0 221.300 2.396 50 0 BEAARN Cc1cc(I)cc(C)c1N ZINC000001717248 187245216 /nfs/dbraw/zinc/24/52/16/187245216.db2.gz BJJSUOOEBCCLNY-UHFFFAOYSA-N 0 0 247.079 2.490 50 0 BEAARN Ic1c[nH]c2cnccc12 ZINC000030677830 343193271 /nfs/dbraw/zinc/19/32/71/343193271.db2.gz JCBUTJANQMHZJJ-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN Nc1ccc2nc(-c3ccncc3)oc2c1 ZINC000031899478 343226010 /nfs/dbraw/zinc/22/60/10/343226010.db2.gz GMEJXSRGFRIIJZ-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN CC[N@H+](CC(=O)[O-])Cc1ccccc1Cl ZINC000032015462 343228731 /nfs/dbraw/zinc/22/87/31/343228731.db2.gz ZCIIOFYIPIKDAY-UHFFFAOYSA-N 0 0 227.691 2.247 50 0 BEAARN C[C@H](Cc1ccccc1)NC(=O)C(F)(F)F ZINC000032175833 343230637 /nfs/dbraw/zinc/23/06/37/343230637.db2.gz DMOCTORDHSLHLA-MRVPVSSYSA-N 0 0 231.217 2.296 50 0 in-vitro BEAARN CNC(=O)c1ccccc1NC(=O)CC(C)C ZINC000012921848 187250964 /nfs/dbraw/zinc/25/09/64/187250964.db2.gz ZRUOJBLGLSHVJI-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN Cc1nn(C)cc1[C@@H](C)Nc1nc(C)cc(C)n1 ZINC000032576454 343237880 /nfs/dbraw/zinc/23/78/80/343237880.db2.gz SHPZXVXGTLLPQA-SNVBAGLBSA-N 0 0 245.330 2.308 50 0 BEAARN Cc1cc(-c2cc[nH]n2)nc(C(C)C)n1 ZINC000032587374 343238154 /nfs/dbraw/zinc/23/81/54/343238154.db2.gz BIXAWXUMCNPQQG-UHFFFAOYSA-N 0 0 202.261 2.299 50 0 BEAARN Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000032625285 343238871 /nfs/dbraw/zinc/23/88/71/343238871.db2.gz ZXLBIMVZQQUVFW-UHFFFAOYSA-N 0 0 213.284 2.469 50 0 BEAARN CC(C)c1nn2c([nH]1)c1ccccc1nc2=O ZINC000032628491 343239087 /nfs/dbraw/zinc/23/90/87/343239087.db2.gz YHVWWFFZNOCKSI-UHFFFAOYSA-N 0 0 228.255 2.107 50 0 BEAARN CC(=O)c1c(C)nc2ccccc2c1O ZINC000008828696 187249210 /nfs/dbraw/zinc/24/92/10/187249210.db2.gz QNEXQTCWKYICPG-UHFFFAOYSA-N 0 0 201.225 2.039 50 0 biogenic BEAARN CC[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000010474943 187249403 /nfs/dbraw/zinc/24/94/03/187249403.db2.gz JWFHVZIMTOCWHA-SECBINFHSA-N 0 0 207.273 2.273 50 0 BEAARN O=C(c1ccc2c(c1)CCC2)N1CCCC1 ZINC000032666219 343239825 /nfs/dbraw/zinc/23/98/25/343239825.db2.gz KFZBFJMPZGBDCE-UHFFFAOYSA-N 0 0 215.296 2.411 50 0 BEAARN O=C(c1ccc(-n2cccn2)cc1)N1CCCC1 ZINC000032721322 343241549 /nfs/dbraw/zinc/24/15/49/343241549.db2.gz BGYNCXHJKBCHJE-UHFFFAOYSA-N 0 0 241.294 2.108 50 0 BEAARN Cc1nn(Cc2ccccc2)c(C)c1CO ZINC000008734115 187249755 /nfs/dbraw/zinc/24/97/55/187249755.db2.gz BZUCAVSXQMLPFB-UHFFFAOYSA-N 0 0 216.284 2.041 50 0 BEAARN COC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000032907402 343243504 /nfs/dbraw/zinc/24/35/04/343243504.db2.gz DKJXCIWYFJGWQR-UHFFFAOYSA-N 0 0 208.232 2.420 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC000032907084 343243586 /nfs/dbraw/zinc/24/35/86/343243586.db2.gz CNPUNKIUFHUBDA-QMTHXVAHSA-N 0 0 245.322 2.247 50 0 BEAARN C[C@@H](C[C@@H]([NH3+])CC(=O)[O-])CC(C)(C)C ZINC000032919344 343244473 /nfs/dbraw/zinc/24/44/73/343244473.db2.gz SPLJOHIHQABPRC-DTWKUNHWSA-N 0 0 201.310 2.251 50 0 BEAARN CC(C)Cn1c(=O)c2ccc[nH]c-2nc1=S ZINC000012505290 187250312 /nfs/dbraw/zinc/25/03/12/187250312.db2.gz BVQXDHCDCMQKHQ-UHFFFAOYSA-N 0 0 235.312 2.110 50 0 BEAARN Cc1ccc(CNC(=O)c2cnc(C)cn2)s1 ZINC000048356600 343250883 /nfs/dbraw/zinc/25/08/83/343250883.db2.gz DNEGZLYFYJKEPY-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN CC(C)(C)c1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 ZINC000012410365 187250410 /nfs/dbraw/zinc/25/04/10/187250410.db2.gz OWCKXNANCYSNBR-FLIBITNWSA-N 0 0 244.294 2.164 50 0 BEAARN C[C@@H](O)Cn1c2ccccc2[nH]c1=S ZINC000033845625 343261908 /nfs/dbraw/zinc/26/19/08/343261908.db2.gz DMDXJRMUNCFICA-SSDOTTSWSA-N 0 0 208.286 2.080 50 0 BEAARN Nc1ccccc1-c1nc(-c2ccco2)n[nH]1 ZINC000034181837 343266096 /nfs/dbraw/zinc/26/60/96/343266096.db2.gz KGGBVMKYESRXGL-UHFFFAOYSA-N 0 0 226.239 2.314 50 0 BEAARN O=C(N[C@H]1CCCC(=O)C1)OCc1ccccc1 ZINC000034371372 343268843 /nfs/dbraw/zinc/26/88/43/343268843.db2.gz NDTIOGCPRWWFJC-LBPRGKRZSA-N 0 0 247.294 2.425 50 0 BEAARN CC(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl ZINC000000208260 343269182 /nfs/dbraw/zinc/26/91/82/343269182.db2.gz WVGYUADFCVQBKJ-UHFFFAOYSA-N 0 0 247.081 2.051 50 0 BEAARN CCN1C(=O)c2c(c3ccccc3nc2C)C1=O ZINC000000467347 343269956 /nfs/dbraw/zinc/26/99/56/343269956.db2.gz IXTZPJVJZAEKEW-UHFFFAOYSA-N 0 0 240.262 2.159 50 0 BEAARN COc1cc(N)cc(Br)c1 ZINC000034426030 343270688 /nfs/dbraw/zinc/27/06/88/343270688.db2.gz FHUSNGUPJXGLPL-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN C=COCCNC(=S)Nc1ccccc1 ZINC000002461531 343270693 /nfs/dbraw/zinc/27/06/93/343270693.db2.gz DQNMYXFLSBXPAY-UHFFFAOYSA-N 0 0 222.313 2.133 50 0 BEAARN NC(=O)N[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000002898304 343272452 /nfs/dbraw/zinc/27/24/52/343272452.db2.gz PSUBSMFZNHYTRP-CYBMUJFWSA-N 0 0 242.278 2.150 50 0 BEAARN CC(C)(C)OC(=O)N1C(=O)[C@@H]2CCC[C@@]21C ZINC000034482742 343272628 /nfs/dbraw/zinc/27/26/28/343272628.db2.gz MDESFHIUYQLYTE-UFBFGSQYSA-N 0 0 225.288 2.323 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H](CO)CC1CCC1 ZINC000034566742 343274961 /nfs/dbraw/zinc/27/49/61/343274961.db2.gz YAYOAQZEBASQLZ-SNVBAGLBSA-N 0 0 229.320 2.062 50 0 BEAARN CC(=O)OC[C@H](C)CC[C@H](C)COC(C)=O ZINC000017378918 187251754 /nfs/dbraw/zinc/25/17/54/187251754.db2.gz YQQPADUOKRFGKM-AOOOYVTPSA-N 0 0 230.304 2.165 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000035296618 343292667 /nfs/dbraw/zinc/29/26/67/343292667.db2.gz BYFHWNGHYYXTCP-GFCCVEGCSA-N 0 0 225.332 2.363 50 0 BEAARN CC(C)N(C)C(=O)c1ccc(Cl)c(N)c1 ZINC000022213371 187255241 /nfs/dbraw/zinc/25/52/41/187255241.db2.gz IZXLPZMCTPDTLQ-UHFFFAOYSA-N 0 0 226.707 2.403 50 0 BEAARN CCCc1nc(-c2cccc(N)c2)no1 ZINC000035697170 343302308 /nfs/dbraw/zinc/30/23/08/343302308.db2.gz WRGZRCKKNLGZNF-UHFFFAOYSA-N 0 0 203.245 2.271 50 0 BEAARN CC(C)[C@H](C)NC(=O)NCc1ccco1 ZINC000048455328 343305826 /nfs/dbraw/zinc/30/58/26/343305826.db2.gz XZVWPFRLCFSOIQ-VIFPVBQESA-N 0 0 210.277 2.123 50 0 BEAARN Cn1c(C(=O)Nc2ccon2)cc2occc21 ZINC000036354285 343316735 /nfs/dbraw/zinc/31/67/35/343316735.db2.gz MNCZQUUNZYHHII-UHFFFAOYSA-N 0 0 231.211 2.012 50 0 BEAARN Nc1ccccc1OCc1cscn1 ZINC000038055898 343368493 /nfs/dbraw/zinc/36/84/93/343368493.db2.gz XKHYIDXZCJBXSZ-UHFFFAOYSA-N 0 0 206.270 2.304 50 0 BEAARN Nc1cccc(OCc2cscn2)c1 ZINC000038054819 343368495 /nfs/dbraw/zinc/36/84/95/343368495.db2.gz IVIGYIAJQZNTTG-UHFFFAOYSA-N 0 0 206.270 2.304 50 0 BEAARN C[C@H]1CC(=O)CCN1Cc1ccccc1 ZINC000038235429 343372728 /nfs/dbraw/zinc/37/27/28/343372728.db2.gz PBIZOPYFPXOGAW-NSHDSACASA-N 0 0 203.285 2.240 50 0 BEAARN COc1cc(Br)cc(OC)c1O ZINC000034383297 187257100 /nfs/dbraw/zinc/25/71/00/187257100.db2.gz VKXCKVRDDDEQOG-UHFFFAOYSA-N 0 0 233.061 2.172 50 0 BEAARN CC(C)(C)OC(=O)N[C@H](CO)CC(C)(C)F ZINC000038302579 343373888 /nfs/dbraw/zinc/37/38/88/343373888.db2.gz WVKNFDYVRRJKJN-QMMMGPOBSA-N 0 0 235.299 2.010 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CC(=O)C2)CC1 ZINC000038351518 343374187 /nfs/dbraw/zinc/37/41/87/343374187.db2.gz SIMIIXFMGJYGLR-UHFFFAOYSA-N 0 0 239.315 2.367 50 0 BEAARN Cc1cccc(C[n+]2ccc(C(=O)[O-])cc2)c1 ZINC000032919135 187256294 /nfs/dbraw/zinc/25/62/94/187256294.db2.gz HRHULMALQWONPM-UHFFFAOYSA-O 0 0 228.271 2.029 50 0 BEAARN CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000032741331 187256411 /nfs/dbraw/zinc/25/64/11/187256411.db2.gz DNBTVLRYDFVELC-UHFFFAOYSA-N 0 0 243.310 2.125 50 0 BEAARN COc1ccc(F)cc1C(=O)N1CCCCC1 ZINC000032895399 187256437 /nfs/dbraw/zinc/25/64/37/187256437.db2.gz URVIQWJCMMNSFA-UHFFFAOYSA-N 0 0 237.274 2.460 50 0 BEAARN CC[C@](N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000037459607 343345949 /nfs/dbraw/zinc/34/59/49/343345949.db2.gz RDTRIOBNZFXHES-LLVKDONJSA-N 0 0 227.691 2.077 50 0 BEAARN CC(=O)Nc1cccc(-c2nccnc2C)c1 ZINC000032511702 187256607 /nfs/dbraw/zinc/25/66/07/187256607.db2.gz IAOPVMWSNXHDFI-UHFFFAOYSA-N 0 0 227.267 2.410 50 0 BEAARN CC1(C)Oc2ccc(Cl)cc2NC1=O ZINC000032500708 187256669 /nfs/dbraw/zinc/25/66/69/187256669.db2.gz NWYTWVIFIKWAEO-UHFFFAOYSA-N 0 0 211.648 2.450 50 0 BEAARN CC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000037695104 343351752 /nfs/dbraw/zinc/35/17/52/343351752.db2.gz MQZMQRPCNLHVND-ZIAGYGMSSA-N 0 0 249.310 2.327 50 0 BEAARN CC(C)(C)OC(=O)[C@H](N)c1ccccc1 ZINC000037729912 343352767 /nfs/dbraw/zinc/35/27/67/343352767.db2.gz HJLYKRGXTOVWFL-SNVBAGLBSA-N 0 0 207.273 2.028 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1c[nH]c2ccccc12 ZINC000035133707 187258321 /nfs/dbraw/zinc/25/83/21/187258321.db2.gz DMSKQVNWVAPHAO-JTQLQIEISA-N 0 0 244.294 2.077 50 0 BEAARN CC(C)=CCN1CCn2c(nnc2C(C)C)C1 ZINC000069950686 187258431 /nfs/dbraw/zinc/25/84/31/187258431.db2.gz CHLDQLRCOHTKIO-UHFFFAOYSA-N 0 0 234.347 2.183 50 0 BEAARN COC(OC)c1cc(C)cnc1Cl ZINC000039961307 343394148 /nfs/dbraw/zinc/39/41/48/343394148.db2.gz ZBWZVOJYHCOLOO-UHFFFAOYSA-N 0 0 201.653 2.335 50 0 BEAARN CC(C)c1nc(-c2cccc(N)c2)n[nH]1 ZINC000040175782 343397842 /nfs/dbraw/zinc/39/78/42/343397842.db2.gz CWPQMMYBLIGSQD-UHFFFAOYSA-N 0 0 202.261 2.177 50 0 BEAARN Cc1ccc(C(=O)c2ccc(N)cc2)cc1N ZINC000040321607 343400196 /nfs/dbraw/zinc/40/01/96/343400196.db2.gz RVEKWOCAMRBFOQ-UHFFFAOYSA-N 0 0 226.279 2.390 50 0 BEAARN C=COCCOc1ccc(C=O)cc1OC ZINC000040350474 343401155 /nfs/dbraw/zinc/40/11/55/343401155.db2.gz VEVUZCITDVOHQG-UHFFFAOYSA-N 0 0 222.240 2.047 50 0 BEAARN COc1cc(N)cc(OC)c1Br ZINC000040449716 343404047 /nfs/dbraw/zinc/40/40/47/343404047.db2.gz MJINXEUETHLORE-UHFFFAOYSA-N 0 0 232.077 2.049 50 0 BEAARN COC(=O)c1occc1NC(=O)OC(C)(C)C ZINC000040448967 343404193 /nfs/dbraw/zinc/40/41/93/343404193.db2.gz OFSPCMNPGVKHEL-UHFFFAOYSA-N 0 0 241.243 2.413 50 0 BEAARN Cn1cccc1[C@H]1CCCN1C(=O)C1CC1 ZINC000040473079 343405031 /nfs/dbraw/zinc/40/50/31/343405031.db2.gz VWBMXTVOBAEAJY-GFCCVEGCSA-N 0 0 218.300 2.099 50 0 BEAARN Cc1cc(CN(C)C(=O)[C@@H]2CC=CCC2)no1 ZINC000040505364 343405859 /nfs/dbraw/zinc/40/58/59/343405859.db2.gz RSXZFXXYBANCSX-LLVKDONJSA-N 0 0 234.299 2.298 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)cn1 ZINC000335697527 136327230 /nfs/dbraw/zinc/32/72/30/136327230.db2.gz HYHFCUCESRLONP-IUCAKERBSA-N 0 0 226.226 2.230 50 0 BEAARN CC(=O)c1nc2cc(Cl)ccc2n1C ZINC000040980194 343411858 /nfs/dbraw/zinc/41/18/58/343411858.db2.gz WAHYUUVIMUBVPB-UHFFFAOYSA-N 0 0 208.648 2.429 50 0 BEAARN CC(C)(CO)Oc1ccc(Cl)cc1 ZINC000041210478 343416622 /nfs/dbraw/zinc/41/66/22/343416622.db2.gz WQAGJZPXZKSOSF-UHFFFAOYSA-N 0 0 200.665 2.490 50 0 BEAARN Nc1ccc(C(F)(F)F)nc1Br ZINC000042684210 343447611 /nfs/dbraw/zinc/44/76/11/343447611.db2.gz NCOWBQRCCMJSKW-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN N#CN(C[C@H]1CCOC1)c1cccc(F)c1 ZINC000335850883 136355220 /nfs/dbraw/zinc/35/52/20/136355220.db2.gz WJKOVOVNCJHTQN-SNVBAGLBSA-N 0 0 220.247 2.150 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1cc(C)on1 ZINC000013363646 362222598 /nfs/dbraw/zinc/22/25/98/362222598.db2.gz RUBVLFPKBFRZLA-SNVBAGLBSA-N 0 0 222.288 2.388 50 0 BEAARN Clc1cc(NCc2cccnc2)ncn1 ZINC000042784035 343453733 /nfs/dbraw/zinc/45/37/33/343453733.db2.gz DJWINMRNCRGELU-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN Clc1ccn2ncc(Br)c2n1 ZINC000043828370 343485462 /nfs/dbraw/zinc/48/54/62/343485462.db2.gz IYSBSUPWYUVHKG-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 in-vitro BEAARN CC(=O)Cn1c(C)nc(Cl)c1Cl ZINC000040162837 187263527 /nfs/dbraw/zinc/26/35/27/187263527.db2.gz SGBGOUTZSSFROX-UHFFFAOYSA-N 0 0 207.060 2.087 50 0 BEAARN CC(C)(NC(=O)NCc1cccnc1)C1CC1 ZINC000072312625 343534314 /nfs/dbraw/zinc/53/43/14/343534314.db2.gz SKKLUCUYRQGWOO-UHFFFAOYSA-N 0 0 233.315 2.069 50 0 BEAARN CCOc1ccc(C(=O)NC2CC2)cc1OCC ZINC000045829010 343534775 /nfs/dbraw/zinc/53/47/75/343534775.db2.gz GKPXTCHVDDBGAH-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN CCOC(=O)c1csc(C(F)(F)F)n1 ZINC000039121867 187263671 /nfs/dbraw/zinc/26/36/71/187263671.db2.gz WFUNYBAJYAWHLX-UHFFFAOYSA-N 0 0 225.191 2.339 50 0 BEAARN CC(=O)COc1ccccc1Br ZINC000041125607 187264136 /nfs/dbraw/zinc/26/41/36/187264136.db2.gz SMOLOXXOYDWKRI-UHFFFAOYSA-N 0 0 229.073 2.417 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@@]2(C)CCCO2)o1 ZINC000067473042 178544171 /nfs/dbraw/zinc/54/41/71/178544171.db2.gz XZGFSMBUADVUFB-CYBMUJFWSA-N 0 0 237.299 2.116 50 0 BEAARN Cc1ncsc1C(=O)N1CCC[C@@H](C)C1 ZINC000040529070 187264470 /nfs/dbraw/zinc/26/44/70/187264470.db2.gz GUARDLCYGJCUSF-MRVPVSSYSA-N 0 0 224.329 2.324 50 0 BEAARN CC(C)=CC(=O)N(C)Cc1nccn1C(F)F ZINC000040497067 187264532 /nfs/dbraw/zinc/26/45/32/187264532.db2.gz NKJAHXMEIVZCQL-UHFFFAOYSA-N 0 0 243.257 2.203 50 0 BEAARN C[C@H](OC(=O)c1cccn1C)c1ccccn1 ZINC000071905063 343621986 /nfs/dbraw/zinc/62/19/86/343621986.db2.gz JVXZTABVBSUIKS-JTQLQIEISA-N 0 0 230.267 2.338 50 0 BEAARN CC(C)(C)OC(=O)n1ncc2cccc(N)c21 ZINC000044832001 187267883 /nfs/dbraw/zinc/26/78/83/187267883.db2.gz HNOIGXWKRHPKMS-UHFFFAOYSA-N 0 0 233.271 2.402 50 0 BEAARN CCc1nc(NC(C)=O)sc1Br ZINC000057537451 343689957 /nfs/dbraw/zinc/68/99/57/343689957.db2.gz LODCKIISMKDQFH-UHFFFAOYSA-N 0 0 249.133 2.426 50 0 BEAARN Fc1ccc(-n2cc(C3CC3)nn2)cc1 ZINC000072155583 343750688 /nfs/dbraw/zinc/75/06/88/343750688.db2.gz KMYIPIKEWCYMFA-UHFFFAOYSA-N 0 0 203.220 2.284 50 0 BEAARN CC(=O)NCC(C)(C)c1cccc(C)c1 ZINC000062929439 187273931 /nfs/dbraw/zinc/27/39/31/187273931.db2.gz BQRSQXMDCZFUQK-UHFFFAOYSA-N 0 0 205.301 2.409 50 0 BEAARN Cc1ccc(CNC(=O)c2cccc(F)c2)n1C ZINC000023574634 537813569 /nfs/dbraw/zinc/81/35/69/537813569.db2.gz ZCEDYMHXXQHAMU-UHFFFAOYSA-N 0 0 246.285 2.403 50 0 BEAARN COc1ccc(SCC(=O)N2CCC2)cc1 ZINC000069351542 187275215 /nfs/dbraw/zinc/27/52/15/187275215.db2.gz RAUYFNPBKSRJKN-UHFFFAOYSA-N 0 0 237.324 2.020 50 0 BEAARN C1=C[C@H]2C[C@@H]1C[C@H]2Cc1nc(C2CC2)n[nH]1 ZINC000065403246 187274314 /nfs/dbraw/zinc/27/43/14/187274314.db2.gz KSAQHKHFEKUNSN-MIMYLULJSA-N 0 0 215.300 2.437 50 0 BEAARN C[C@H]1C[C@H](c2ccccc2)CCN1C(N)=O ZINC000334414763 343879021 /nfs/dbraw/zinc/87/90/21/343879021.db2.gz PCNRONVSPLJWEI-CMPLNLGQSA-N 0 0 218.300 2.333 50 0 BEAARN c1ccc2oc(N3CCSC3)nc2c1 ZINC000069663418 537830910 /nfs/dbraw/zinc/83/09/10/537830910.db2.gz PJZQDBZVLRGJOD-UHFFFAOYSA-N 0 0 206.270 2.339 50 0 BEAARN CCc1nnc(CN(C)CCc2ccccc2)[nH]1 ZINC000097163318 344043762 /nfs/dbraw/zinc/04/37/62/344043762.db2.gz WRGJTHDIDPZNPG-UHFFFAOYSA-N 0 0 244.342 2.042 50 0 BEAARN CC(C)C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000070242933 343949454 /nfs/dbraw/zinc/94/94/54/343949454.db2.gz CGJYNMOOKCLKNW-UHFFFAOYSA-N 0 0 246.354 2.100 50 0 BEAARN CONCc1cc(Br)ccc1F ZINC000070270679 343950225 /nfs/dbraw/zinc/95/02/25/343950225.db2.gz GBFJBMFFEUALGH-UHFFFAOYSA-N 0 0 234.068 2.239 50 0 BEAARN CC(C)(C)c1nccc(N2CCCC2)n1 ZINC000080761581 187281629 /nfs/dbraw/zinc/28/16/29/187281629.db2.gz UHGIXQQBPBBVPO-UHFFFAOYSA-N 0 0 205.305 2.374 50 0 BEAARN CC1(C)OCc2cc([C@@H]3CNC(=O)O3)ccc2O1 ZINC000034571268 347023479 /nfs/dbraw/zinc/02/34/79/347023479.db2.gz JUEBDVANOFZMMX-NSHDSACASA-N 0 0 249.266 2.113 50 0 BEAARN CSc1nccc(-c2ccc(N)cc2)n1 ZINC000091695962 187286663 /nfs/dbraw/zinc/28/66/63/187286663.db2.gz DFEYMEPFBCFBAY-UHFFFAOYSA-N 0 0 217.297 2.448 50 0 BEAARN O=S(=O)(c1ccccc1)n1cccc1Cl ZINC000078278248 344095677 /nfs/dbraw/zinc/09/56/77/344095677.db2.gz PSPIKRLCDNEKSC-UHFFFAOYSA-N 0 0 241.699 2.379 50 0 BEAARN Nc1ccc2nc(-c3ccccc3)oc(=O)c2c1 ZINC000000053776 344101632 /nfs/dbraw/zinc/10/16/32/344101632.db2.gz VQFJFHNLLWCXHS-UHFFFAOYSA-N 0 0 238.246 2.437 50 0 biogenic BEAARN CCC1=NC(=S)N[C@H](c2ccccc2)C1 ZINC000000060950 344129787 /nfs/dbraw/zinc/12/97/87/344129787.db2.gz ARQAZXZMOHLMOZ-NSHDSACASA-N 0 0 218.325 2.499 50 0 BEAARN Cc1c(N)c(F)ccc1Br ZINC000096306945 187288672 /nfs/dbraw/zinc/28/86/72/187288672.db2.gz UTKJWOZKGJHGNO-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN O=C(NC[C@@]1(O)C=CCCC1)c1cccc(F)c1 ZINC000585146611 344208315 /nfs/dbraw/zinc/20/83/15/344208315.db2.gz FEANMFFDZRLINT-CQSZACIVSA-N 0 0 249.285 2.027 50 0 BEAARN O=C(NC[C@@]1(O)C=CCCC1)Nc1ccccc1 ZINC000585146627 344208816 /nfs/dbraw/zinc/20/88/16/344208816.db2.gz LSJZBIYZZZIXGH-CQSZACIVSA-N 0 0 246.310 2.279 50 0 BEAARN FC1(F)CN[C@H](c2noc(C3CCC3)n2)C1 ZINC000585146115 344205452 /nfs/dbraw/zinc/20/54/52/344205452.db2.gz BGJGVBDZFDCIBS-ZETCQYMHSA-N 0 0 229.230 2.007 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C)C12CCC2 ZINC000247226708 344266211 /nfs/dbraw/zinc/26/62/11/344266211.db2.gz CVVAMTQYUTUXCD-WISYIIOYSA-N 0 0 237.343 2.106 50 0 BEAARN Cc1cc(C)n2nc(SCC(C)C)nc2n1 ZINC000000092827 344331063 /nfs/dbraw/zinc/33/10/63/344331063.db2.gz XWDREPGJOBFESM-UHFFFAOYSA-N 0 0 236.344 2.489 50 0 BEAARN CC[C@H](C(=O)N1C[C@H](O)C[C@H]1C)c1ccccc1 ZINC000385168401 344357390 /nfs/dbraw/zinc/35/73/90/344357390.db2.gz VFNBFPIPWRDAIK-BNOWGMLFSA-N 0 0 247.338 2.162 50 0 BEAARN Cc1cc(C(=O)NCc2ccccn2)c(C)o1 ZINC000016400236 344307451 /nfs/dbraw/zinc/30/74/51/344307451.db2.gz NRIZIJGNFBAGTA-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN C[C@@H]1CCC[C@@H](OCC(=O)N2CCCC2)C1 ZINC000084689635 344461058 /nfs/dbraw/zinc/46/10/58/344461058.db2.gz NVTZYABFJBSWBE-VXGBXAGGSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@H]1CCC[C@@H](OCC(=O)N2CCCC2)C1 ZINC000084689636 344461067 /nfs/dbraw/zinc/46/10/67/344461067.db2.gz NVTZYABFJBSWBE-NWDGAFQWSA-N 0 0 225.332 2.204 50 0 BEAARN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC ZINC000084740596 344469754 /nfs/dbraw/zinc/46/97/54/344469754.db2.gz MSOSVFHZZBTXDD-IJLUTSLNSA-N 0 0 227.348 2.496 50 0 BEAARN OCCc1ccccc1-c1ccnc(Cl)n1 ZINC000072233408 344519312 /nfs/dbraw/zinc/51/93/12/344519312.db2.gz ITTWVMLUYNVILL-UHFFFAOYSA-N 0 0 234.686 2.332 50 0 BEAARN CCCC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000000149468 344568524 /nfs/dbraw/zinc/56/85/24/344568524.db2.gz UHEFSNIYCNMYSL-ZETCQYMHSA-N 0 0 241.316 2.128 50 0 BEAARN Cc1ccc(NC(=O)C[C@H]2C[C@@H](C)OC2=O)cc1 ZINC000000174701 344595172 /nfs/dbraw/zinc/59/51/72/344595172.db2.gz QWOFJAJSGLHCCH-GHMZBOCLSA-N 0 0 247.294 2.275 50 0 BEAARN CC(C)(C)NC(=O)n1ccc(C(F)(F)F)n1 ZINC000000160135 344581912 /nfs/dbraw/zinc/58/19/12/344581912.db2.gz BWLHZWJXKZRBEH-UHFFFAOYSA-N 0 0 235.209 2.258 50 0 BEAARN CCN1C(=O)C(=C2CCCC2)N(CC)C1=O ZINC000000263384 344665842 /nfs/dbraw/zinc/66/58/42/344665842.db2.gz WXEJKUNNXRXVCE-UHFFFAOYSA-N 0 0 222.288 2.119 50 0 BEAARN Cc1nn(-c2cc(C)nc(C)n2)c2c1CCC2 ZINC000000195090 344622236 /nfs/dbraw/zinc/62/22/36/344622236.db2.gz LNXSGMFEVKDFDJ-UHFFFAOYSA-N 0 0 228.299 2.076 50 0 BEAARN CN1C(=O)O[C@](C)(CCc2ccccc2)[C@]1(C)O ZINC000000117308 344643412 /nfs/dbraw/zinc/64/34/12/344643412.db2.gz MWGBNSPGDQBGNX-KGLIPLIRSA-N 0 0 249.310 2.168 50 0 BEAARN Cn1cc(CCC(=O)NC2CC2)c2ccccc21 ZINC000000218248 344644992 /nfs/dbraw/zinc/64/49/92/344644992.db2.gz UQONGYOWQLZLCY-UHFFFAOYSA-N 0 0 242.322 2.390 50 0 BEAARN Nc1ccc(C(=S)N2CCCCC2)cc1 ZINC000000223733 344647427 /nfs/dbraw/zinc/64/74/27/344647427.db2.gz JKKSMLIXGCREHV-UHFFFAOYSA-N 0 0 220.341 2.430 50 0 BEAARN COC(=O)C1=C2CCCC[C@]2(C)CCC1=O ZINC000000350315 344721178 /nfs/dbraw/zinc/72/11/78/344721178.db2.gz GTOXZWSKDRODCR-CYBMUJFWSA-N 0 0 222.284 2.399 50 0 BEAARN COC(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000000360478 344728550 /nfs/dbraw/zinc/72/85/50/344728550.db2.gz RMSISLCXWKNXQM-UHFFFAOYSA-N 0 0 246.218 2.285 50 0 BEAARN O=C(c1cc(-c2cc[nH]n2)c[nH]1)N1CCCCC1 ZINC000426493169 344751262 /nfs/dbraw/zinc/75/12/62/344751262.db2.gz KZMDXINMDIILBZ-UHFFFAOYSA-N 0 0 244.298 2.031 50 0 BEAARN NC(=O)c1ccc(-c2cccc(O)c2)cc1 ZINC000117118096 344739778 /nfs/dbraw/zinc/73/97/78/344739778.db2.gz SQTOIQOXWRXHJA-UHFFFAOYSA-N 0 0 213.236 2.158 50 0 BEAARN CCCC(=O)Nc1c2ccccc2oc1C(N)=O ZINC000004851858 344742501 /nfs/dbraw/zinc/74/25/01/344742501.db2.gz VFGDXVWCCRKIFP-UHFFFAOYSA-N 0 0 246.266 2.270 50 0 BEAARN O=C(c1ccc2ccccc2c1)N1CCOCC1 ZINC000000326868 344699974 /nfs/dbraw/zinc/69/99/74/344699974.db2.gz VKXHFIXLSWJYAV-UHFFFAOYSA-N 0 0 241.290 2.312 50 0 BEAARN CC(=O)C(C(C)=O)=C1SC[C@H](C)S1 ZINC000000338543 344707413 /nfs/dbraw/zinc/70/74/13/344707413.db2.gz VKNRBTDSIQYQQU-YFKPBYRVSA-N 0 0 216.327 2.245 50 0 BEAARN OCc1cc(-c2cccc3ccnn32)c(F)cn1 ZINC000426606739 344769769 /nfs/dbraw/zinc/76/97/69/344769769.db2.gz LNBSWJWFBZXLRA-UHFFFAOYSA-N 0 0 243.241 2.028 50 0 BEAARN Cc1ccc(N2C(=O)OC(C)(C)[C@]2(C)O)cc1 ZINC000001022906 178712686 /nfs/dbraw/zinc/71/26/86/178712686.db2.gz KEPHSPWZQCKIMB-ZDUSSCGKSA-N 0 0 235.283 2.439 50 0 BEAARN Cc1ccccc1NC(=O)Cn1cccc1C=O ZINC000033508532 344808527 /nfs/dbraw/zinc/80/85/27/344808527.db2.gz NQOUOVSMIKJIJJ-UHFFFAOYSA-N 0 0 242.278 2.248 50 0 BEAARN Clc1ccc(Br)c2ncnn21 ZINC000115106267 187293545 /nfs/dbraw/zinc/29/35/45/187293545.db2.gz PJLKMIJOOGMSKL-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Cc1nnsc1C(=O)Nc1ccc(C)cc1 ZINC000000385507 178755585 /nfs/dbraw/zinc/75/55/85/178755585.db2.gz SLKPWVISRATEOW-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC(=O)Nc1ccc(-c2cn(C)cn2)cc1 ZINC000000387338 344880351 /nfs/dbraw/zinc/88/03/51/344880351.db2.gz AKWRAPSEKVAVDC-UHFFFAOYSA-N 0 0 215.256 2.046 50 0 BEAARN C=CC(=O)N[C@H]1CCCc2sccc21 ZINC000061363980 344921703 /nfs/dbraw/zinc/92/17/03/344921703.db2.gz PWYKHMNRRYCNBT-VIFPVBQESA-N 0 0 207.298 2.428 50 0 BEAARN Cc1ccsc1C(=O)OCC(=O)c1ccc[nH]1 ZINC000005110379 344949048 /nfs/dbraw/zinc/94/90/48/344949048.db2.gz TYPVGCWHKKWHLB-UHFFFAOYSA-N 0 0 249.291 2.424 50 0 BEAARN CCC1=NO[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000064555297 168510485 /nfs/dbraw/zinc/51/04/85/168510485.db2.gz UFOLJWMYVJRQGX-NSHDSACASA-N 0 0 236.246 2.319 50 0 BEAARN C[C@@H](CC(=O)N1CCN(C)CC1)CC(C)(C)C ZINC000248123722 345048026 /nfs/dbraw/zinc/04/80/26/345048026.db2.gz KVWIAEHILMGOEI-LBPRGKRZSA-N 0 0 240.391 2.223 50 0 BEAARN C[C@H](NC(=O)COC1CCCC1)c1ccccn1 ZINC000044312761 345020942 /nfs/dbraw/zinc/02/09/42/345020942.db2.gz JPWNAHPUCRYBND-NSHDSACASA-N 0 0 248.326 2.218 50 0 BEAARN Cc1cccc(NC(=O)c2ccco2)n1 ZINC000000153958 187300310 /nfs/dbraw/zinc/30/03/10/187300310.db2.gz LRHGGRWKAWKEKK-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000000074788 187300351 /nfs/dbraw/zinc/30/03/51/187300351.db2.gz RWKRWNGNLGKAGT-UHFFFAOYSA-N 0 0 219.269 2.164 50 0 BEAARN CC(C)C[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000000364042 187300566 /nfs/dbraw/zinc/30/05/66/187300566.db2.gz HOTWSKFALOQVGX-LLVKDONJSA-N 0 0 241.356 2.400 50 0 BEAARN CC(C)c1nc(-c2cccc(O)c2)n[nH]1 ZINC000053994978 192088056 /nfs/dbraw/zinc/08/80/56/192088056.db2.gz DMLGHJOLUWYGSE-UHFFFAOYSA-N 0 0 203.245 2.301 50 0 BEAARN CC(C)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000009513791 187302902 /nfs/dbraw/zinc/30/29/02/187302902.db2.gz MEBKLVWLMKGVNW-JTQLQIEISA-N 0 0 227.329 2.009 50 0 BEAARN CC(C)=CC/C=C1/CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000100742306 187301735 /nfs/dbraw/zinc/30/17/35/187301735.db2.gz XPGHNXMVHVOVHW-OUONCDGISA-N 0 0 233.311 2.342 50 0 biogenic BEAARN Fc1cccc(-c2nnc(Cn3ccnc3)o2)c1 ZINC000072558631 537904733 /nfs/dbraw/zinc/90/47/33/537904733.db2.gz WPCQQJLFGYGWFO-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN Cc1nc(CN2CCO[C@@H](C(C)C)C2)oc1C ZINC000095465911 345686202 /nfs/dbraw/zinc/68/62/02/345686202.db2.gz NKWIMEFUZXLGGA-GFCCVEGCSA-N 0 0 238.331 2.148 50 0 BEAARN Cc1nc(CN2CCO[C@H](C(C)C)C2)oc1C ZINC000095465910 345686387 /nfs/dbraw/zinc/68/63/87/345686387.db2.gz NKWIMEFUZXLGGA-LBPRGKRZSA-N 0 0 238.331 2.148 50 0 BEAARN Cc1nc(C)c(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000073990547 537912252 /nfs/dbraw/zinc/91/22/52/537912252.db2.gz MCUDEYSDUPZGRN-TXEJJXNPSA-N 0 0 246.310 2.330 50 0 BEAARN Cc1ccc2[nH]cc(CCNC(=O)N(C)C)c2c1 ZINC000006700727 178937354 /nfs/dbraw/zinc/93/73/54/178937354.db2.gz YYDYDTFKOAKVTC-UHFFFAOYSA-N 0 0 245.326 2.290 50 0 BEAARN Cc1nccc(Nc2ccc3c(c2)CC(=O)N3)n1 ZINC000078259535 345875332 /nfs/dbraw/zinc/87/53/32/345875332.db2.gz GLBMYJFKYOZSCV-UHFFFAOYSA-N 0 0 240.266 2.023 50 0 BEAARN C/C(=C\C(=O)N1CCC[C@@H]1CO)c1ccccc1 ZINC000188326306 187312787 /nfs/dbraw/zinc/31/27/87/187312787.db2.gz GTEKTSDWYBDPNM-IEZBTEQYSA-N 0 0 245.322 2.073 50 0 BEAARN CC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000064555440 187361739 /nfs/dbraw/zinc/36/17/39/187361739.db2.gz JSTLZFNNMSCVON-LLVKDONJSA-N 0 0 222.288 2.481 50 0 BEAARN C=CC(=O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000328597422 187363951 /nfs/dbraw/zinc/36/39/51/187363951.db2.gz GYMNPOKTGPEDBY-OAHLLOKOSA-N 0 0 243.306 2.169 50 0 BEAARN CC(C)C[C@H](NS(C)(=O)=O)c1ccccc1 ZINC000019931585 187315798 /nfs/dbraw/zinc/31/57/98/187315798.db2.gz FKOAZYNCNMPEIE-LBPRGKRZSA-N 0 0 241.356 2.323 50 0 BEAARN CSc1nnc(Cc2ccccc2)n1C ZINC000002524059 346164884 /nfs/dbraw/zinc/16/48/84/346164884.db2.gz ZORSNNHONOBILB-UHFFFAOYSA-N 0 0 219.313 2.128 50 0 BEAARN C(CSC[C@@H]1CCCO1)O[C@@H]1CCCCO1 ZINC000193446189 346166175 /nfs/dbraw/zinc/16/61/75/346166175.db2.gz USOWFRVLATZSBK-NWDGAFQWSA-N 0 0 246.372 2.442 50 0 BEAARN C[S@](=O)c1nsc(Nc2ccccc2)n1 ZINC000005394119 346210107 /nfs/dbraw/zinc/21/01/07/346210107.db2.gz SHWBXEFEJMJISR-OAHLLOKOSA-N 0 0 239.325 2.019 50 0 BEAARN Cc1ccnc(NC(=O)c2cccnc2)c1 ZINC000005337933 346191110 /nfs/dbraw/zinc/19/11/10/346191110.db2.gz PUNMNLGGZSTCSJ-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1cccc(C(=O)N2CCO[C@@H](C)C2)c1C ZINC000012927515 179009790 /nfs/dbraw/zinc/00/97/90/179009790.db2.gz GHDRMTJKFRTOEF-NSHDSACASA-N 0 0 233.311 2.164 50 0 BEAARN Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)c1 ZINC000010543128 179005255 /nfs/dbraw/zinc/00/52/55/179005255.db2.gz MSJXKDKGLDMETH-ZIAGYGMSSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1C ZINC000032720104 179008087 /nfs/dbraw/zinc/00/80/87/179008087.db2.gz IIWCBLLFMBHLDE-CYBMUJFWSA-N 0 0 247.338 2.148 50 0 BEAARN CC(=O)Nc1cc(C)c(C)c(NC(C)=O)c1 ZINC000003014410 346226830 /nfs/dbraw/zinc/22/68/30/346226830.db2.gz DGSSBLHNEHKGBV-UHFFFAOYSA-N 0 0 220.272 2.220 50 0 BEAARN Cc1cccc(C(=O)N2N=C(N)SC2(C)C)c1 ZINC000006860276 179014043 /nfs/dbraw/zinc/01/40/43/179014043.db2.gz NKSNZARFNUYZMK-UHFFFAOYSA-N 0 0 249.339 2.150 50 0 BEAARN C[C@@H](CCc1ccco1)N(C)C(=O)N(C)C ZINC000005557432 346253515 /nfs/dbraw/zinc/25/35/15/346253515.db2.gz VDZGFEAVYDLUOC-JTQLQIEISA-N 0 0 224.304 2.214 50 0 BEAARN Cc1cccc(C(=O)NC2CCCC2)n1 ZINC000024428553 179014785 /nfs/dbraw/zinc/01/47/85/179014785.db2.gz JDWWTVKIGWRPBO-UHFFFAOYSA-N 0 0 204.273 2.062 50 0 BEAARN CN[P@@](=O)(N(C)C)C(Cl)(Cl)Cl ZINC000004949128 346254864 /nfs/dbraw/zinc/25/48/64/346254864.db2.gz YFZLWSFSYHIZBU-LLVKDONJSA-N 0 0 239.470 2.288 50 0 BEAARN Cc1cccc(C(=O)Nc2nncs2)c1 ZINC000003016642 179025850 /nfs/dbraw/zinc/02/58/50/179025850.db2.gz CSQROMOXHVBSTH-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1cccc(C(=O)Nc2cc[nH]n2)c1F ZINC000161564395 179025179 /nfs/dbraw/zinc/02/51/79/179025179.db2.gz UOQCIOKORNORFM-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN Cc1cccc(C)c1NC(=O)N1CCOCC1 ZINC000000293341 179040860 /nfs/dbraw/zinc/04/08/60/179040860.db2.gz NPTWQHGXCWOOMA-UHFFFAOYSA-N 0 0 234.299 2.168 50 0 BEAARN NC(=S)c1cccc(Br)c1F ZINC000083360533 187320204 /nfs/dbraw/zinc/32/02/04/187320204.db2.gz CDDOMYWWNKXVEJ-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCO1 ZINC000000804566 179042378 /nfs/dbraw/zinc/04/23/78/179042378.db2.gz VEXODVAYMNODGK-NSHDSACASA-N 0 0 219.284 2.421 50 0 BEAARN Cc1cccc(C)c1OCC(=O)NCC(C)C ZINC000000364811 179045258 /nfs/dbraw/zinc/04/52/58/179045258.db2.gz ZMZUIHFYODHABM-UHFFFAOYSA-N 0 0 235.327 2.454 50 0 BEAARN Cc1nnc(NC(=O)Cc2cccc(C)c2)s1 ZINC000006700439 179053450 /nfs/dbraw/zinc/05/34/50/179053450.db2.gz JUEMYAGXSJIFIF-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN CSc1ccc(CNc2n[nH]c(C)n2)cc1 ZINC000015356880 347091217 /nfs/dbraw/zinc/09/12/17/347091217.db2.gz RIZCZYJTYRSJDA-UHFFFAOYSA-N 0 0 234.328 2.447 50 0 BEAARN CC(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000000148706 346401267 /nfs/dbraw/zinc/40/12/67/346401267.db2.gz VTUYDLJMOYYSBL-UHFFFAOYSA-N 0 0 237.324 2.256 50 0 BEAARN Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000003755315 179073546 /nfs/dbraw/zinc/07/35/46/179073546.db2.gz RMXUHTDULIZIDH-ZDUSSCGKSA-N 0 0 233.311 2.434 50 0 BEAARN Cc1cccc(CNC(=O)c2cnc(C)cn2)c1 ZINC000026020109 179088884 /nfs/dbraw/zinc/08/88/84/179088884.db2.gz PSLYANNRMFYYGZ-UHFFFAOYSA-N 0 0 241.294 2.023 50 0 BEAARN Cc1cccc(Cl)c1N1CCCS1(=O)=O ZINC000095495572 179107511 /nfs/dbraw/zinc/10/75/11/179107511.db2.gz AGTCUMJDRHAVRB-UHFFFAOYSA-N 0 0 245.731 2.188 50 0 BEAARN CCCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000006263814 168559087 /nfs/dbraw/zinc/55/90/87/168559087.db2.gz VRHOVHQRVISKAF-SNVBAGLBSA-N 0 0 249.310 2.435 50 0 BEAARN Cc1cccc(N(C)C(=O)CC[C@@H]2CCCO2)n1 ZINC000096411583 179111844 /nfs/dbraw/zinc/11/18/44/179111844.db2.gz WMHYTOSDXBMXRD-LBPRGKRZSA-N 0 0 248.326 2.312 50 0 BEAARN Cc1cccc(N(C)C(=O)CC[C@H]2CCCO2)n1 ZINC000096411584 179112184 /nfs/dbraw/zinc/11/21/84/179112184.db2.gz WMHYTOSDXBMXRD-GFCCVEGCSA-N 0 0 248.326 2.312 50 0 BEAARN CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCCO1 ZINC000002770744 346531973 /nfs/dbraw/zinc/53/19/73/346531973.db2.gz SDVPMMHTAVLHMG-JTQLQIEISA-N 0 0 227.348 2.496 50 0 BEAARN Cc1cnn(Cc2cccc(C)c2)c1N ZINC000019090096 179109760 /nfs/dbraw/zinc/10/97/60/179109760.db2.gz LUJTZEMUNKPLDE-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN O=C(NCCSCc1ccco1)C1CC1 ZINC000004364799 346597938 /nfs/dbraw/zinc/59/79/38/346597938.db2.gz FLKABEJVCYDZSS-UHFFFAOYSA-N 0 0 225.313 2.039 50 0 BEAARN CCSc1nc(O)c([C@@H](C)CC)c(=O)[nH]1 ZINC000005072915 346609437 /nfs/dbraw/zinc/60/94/37/346609437.db2.gz MGHXHXZCUCWPRM-LURJTMIESA-N 0 0 228.317 2.101 50 0 BEAARN CCCn1nc(C)c(CNc2ncccn2)c1C ZINC000187925822 346651492 /nfs/dbraw/zinc/65/14/92/346651492.db2.gz SWMPPDXMSKENRQ-UHFFFAOYSA-N 0 0 245.330 2.312 50 0 BEAARN Cc1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000006556545 346652090 /nfs/dbraw/zinc/65/20/90/346652090.db2.gz VHSDHLMMMKDERJ-UHFFFAOYSA-N 0 0 231.280 2.060 50 0 BEAARN Cc1cccc(NC(=O)Nc2cnccn2)c1 ZINC000006699301 179137864 /nfs/dbraw/zinc/13/78/64/179137864.db2.gz BYIVSGBSFYDWHZ-UHFFFAOYSA-N 0 0 228.255 2.429 50 0 BEAARN CC(C)(C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000007308618 346660030 /nfs/dbraw/zinc/66/00/30/346660030.db2.gz SWUNYUQRMUULJQ-UHFFFAOYSA-N 0 0 249.282 2.042 50 0 BEAARN Cc1cccc(NC(=O)CNC(=O)C(C)C)c1C ZINC000013020053 179128557 /nfs/dbraw/zinc/12/85/57/179128557.db2.gz UQLJBRUPEGPIJQ-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN Cc1cccc(NC(=O)CNCc2ccco2)c1 ZINC000000411467 179129350 /nfs/dbraw/zinc/12/93/50/179129350.db2.gz GIZGIWPRBGSTLT-UHFFFAOYSA-N 0 0 244.294 2.316 50 0 BEAARN Cc1cccc(NC(=O)NCC(F)(F)F)n1 ZINC000000528196 179133646 /nfs/dbraw/zinc/13/36/46/179133646.db2.gz DZDVKXBKFDRAIM-UHFFFAOYSA-N 0 0 233.193 2.074 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)CC(=O)N2CC ZINC000008803741 168564592 /nfs/dbraw/zinc/56/45/92/168564592.db2.gz HPVZWQHBIPNNPN-UHFFFAOYSA-N 0 0 246.310 2.334 50 0 BEAARN Cc1cccc(O)c1NC(=O)c1cncc(F)c1 ZINC000097233792 179161498 /nfs/dbraw/zinc/16/14/98/179161498.db2.gz MUCYOWRZWHWKCE-UHFFFAOYSA-N 0 0 246.241 2.487 50 0 BEAARN CCCC(=O)Nc1ccccc1C(=O)NCC ZINC000014012864 168565725 /nfs/dbraw/zinc/56/57/25/168565725.db2.gz NPAXDSMDDCEXJO-UHFFFAOYSA-N 0 0 234.299 2.175 50 0 BEAARN Cc1cccc(OCCCN2CCOCC2)c1 ZINC000019595502 179165126 /nfs/dbraw/zinc/16/51/26/179165126.db2.gz SQTQOYAEBCSJBS-UHFFFAOYSA-N 0 0 235.327 2.096 50 0 BEAARN Cc1cccc(OCCCC(=O)N(C)C)c1 ZINC000047651795 179165134 /nfs/dbraw/zinc/16/51/34/179165134.db2.gz JAHJZMJLRHXKFZ-UHFFFAOYSA-N 0 0 221.300 2.242 50 0 BEAARN Cc1cccc(OC[C@H]2CN2C(C)C)c1 ZINC000019853650 179172176 /nfs/dbraw/zinc/17/21/76/179172176.db2.gz XSYUAWLBBBDAQW-PUODRLBUSA-N 0 0 205.301 2.466 50 0 BEAARN Cc1cccc(O[C@@H](C)C(=O)NC2CC2)c1C ZINC000032488003 179173817 /nfs/dbraw/zinc/17/38/17/179173817.db2.gz XNLOTUHDEMACJE-NSHDSACASA-N 0 0 233.311 2.349 50 0 BEAARN Cc1cccc(O[C@H](C)C(=O)NC2CC2)c1 ZINC000049535346 179174974 /nfs/dbraw/zinc/17/49/74/179174974.db2.gz PJNGRYTZUJYIAZ-SNVBAGLBSA-N 0 0 219.284 2.041 50 0 BEAARN Cc1cccc(SCCS(C)(=O)=O)c1 ZINC000067008414 179177003 /nfs/dbraw/zinc/17/70/03/179177003.db2.gz SKCLDHBYPSFYQQ-UHFFFAOYSA-N 0 0 230.354 2.132 50 0 BEAARN Cc1cccc(S[C@@H]2CCN(C)C2=O)c1 ZINC000070040134 179177176 /nfs/dbraw/zinc/17/71/76/179177176.db2.gz BQAKUSAVUGZTGA-LLVKDONJSA-N 0 0 221.325 2.318 50 0 BEAARN CCc1ccc(C(=O)N2CCCC2)cc1 ZINC000016603134 347196208 /nfs/dbraw/zinc/19/62/08/347196208.db2.gz JMBRGZCUPSPMRD-UHFFFAOYSA-N 0 0 203.285 2.485 50 0 BEAARN Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000246831862 179195334 /nfs/dbraw/zinc/19/53/34/179195334.db2.gz JQFVTMMGFKPIPX-WCQYABFASA-N 0 0 233.311 2.463 50 0 BEAARN CCN(C(=O)CCn1cccn1)c1ccccc1 ZINC000048977949 347325892 /nfs/dbraw/zinc/32/58/92/347325892.db2.gz MKWYOAPLZWTDCO-UHFFFAOYSA-N 0 0 243.310 2.326 50 0 BEAARN CC(C)COc1nc(Cl)ncc1F ZINC000085754693 347318476 /nfs/dbraw/zinc/31/84/76/347318476.db2.gz BYGAEQWTJICAMO-UHFFFAOYSA-N 0 0 204.632 2.304 50 0 BEAARN Cc1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020167275 347411134 /nfs/dbraw/zinc/41/11/34/347411134.db2.gz VBZILWQRPQXHKD-ZIAGYGMSSA-N 0 0 249.354 2.483 50 0 BEAARN Cc1cccc2ncc(Br)n21 ZINC000034561514 179230997 /nfs/dbraw/zinc/23/09/97/179230997.db2.gz SXBCJQRRSDYIKG-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN Cc1ccccc1-c1noc([C@@H](C)N)n1 ZINC000004502265 179241017 /nfs/dbraw/zinc/24/10/17/179241017.db2.gz QNDHHFVHVWUZQY-MRVPVSSYSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1ccccc1-n1ncc2c1c(=O)[nH]nc2C ZINC000026421646 179242641 /nfs/dbraw/zinc/24/26/41/179242641.db2.gz JPELQTIISBQHJA-UHFFFAOYSA-N 0 0 240.266 2.138 50 0 BEAARN Cc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1O ZINC000010543055 179246178 /nfs/dbraw/zinc/24/61/78/179246178.db2.gz MGQBKQAMLIAAJN-KBPBESRZSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000075156707 179251733 /nfs/dbraw/zinc/25/17/33/179251733.db2.gz UGMMHKYXCOSUJS-VXGBXAGGSA-N 0 0 233.311 2.028 50 0 BEAARN Cc1ccccc1C(=O)n1nnc2ccccc21 ZINC000000238995 179254139 /nfs/dbraw/zinc/25/41/39/179254139.db2.gz HDHGBFOLLYAZOD-UHFFFAOYSA-N 0 0 237.262 2.428 50 0 BEAARN Cc1ccccc1CC(=O)NCc1ccco1 ZINC000006725922 179259612 /nfs/dbraw/zinc/25/96/12/179259612.db2.gz TUROQWNIJMNQQF-UHFFFAOYSA-N 0 0 229.279 2.447 50 0 BEAARN CC(C)CC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000012119896 347586842 /nfs/dbraw/zinc/58/68/42/347586842.db2.gz SSIIXXUBZKGJLV-UHFFFAOYSA-N 0 0 248.282 2.002 50 0 BEAARN CCCC(C)(C)NC(=O)c1cc(C)no1 ZINC000050498301 168576686 /nfs/dbraw/zinc/57/66/86/168576686.db2.gz CVBOWUQKNHJYCS-UHFFFAOYSA-N 0 0 210.277 2.292 50 0 BEAARN OCC1(Nc2nc(-c3ccccc3)ns2)CC1 ZINC000195567157 347647067 /nfs/dbraw/zinc/64/70/67/347647067.db2.gz CAYOMCGRNIUSKL-UHFFFAOYSA-N 0 0 247.323 2.142 50 0 BEAARN CCc1nnc(CSc2nc(C)c(C)o2)[nH]1 ZINC000195568290 347647397 /nfs/dbraw/zinc/64/73/97/347647397.db2.gz ZXERCEAFBCLYDL-UHFFFAOYSA-N 0 0 238.316 2.264 50 0 BEAARN Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C ZINC000032678668 179279056 /nfs/dbraw/zinc/27/90/56/179279056.db2.gz SHDVIQPUDSDHMT-CMPLNLGQSA-N 0 0 203.285 2.267 50 0 BEAARN Cc1ccccc1CSc1nc(O)cc(=O)[nH]1 ZINC000013324092 179286837 /nfs/dbraw/zinc/28/68/37/179286837.db2.gz ZHUSVTYVUFCJKJ-UHFFFAOYSA-N 0 0 248.307 2.489 50 0 BEAARN Cc1ccccc1NC(=O)NC[C@H]1CCCO1 ZINC000003958912 179300814 /nfs/dbraw/zinc/30/08/14/179300814.db2.gz NJABLNLHPFZSJL-LLVKDONJSA-N 0 0 234.299 2.296 50 0 BEAARN Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000075156879 179300820 /nfs/dbraw/zinc/30/08/20/179300820.db2.gz QXCLZEOEDNASQA-VXGBXAGGSA-N 0 0 248.326 2.420 50 0 BEAARN Cc1ccccc1NC(=S)N1CCOCC1 ZINC000006491464 179302958 /nfs/dbraw/zinc/30/29/58/179302958.db2.gz GYUXEKCEGBXHAJ-UHFFFAOYSA-N 0 0 236.340 2.024 50 0 BEAARN Cc1ccccc1NC(=O)CCNC(=O)C(C)C ZINC000057291748 179297334 /nfs/dbraw/zinc/29/73/34/179297334.db2.gz RPYADPLGELAABJ-UHFFFAOYSA-N 0 0 248.326 2.096 50 0 BEAARN Cc1ccccc1OCCCN1CCOCC1 ZINC000019595474 179309071 /nfs/dbraw/zinc/30/90/71/179309071.db2.gz JKQRNBQVDKMEEE-UHFFFAOYSA-N 0 0 235.327 2.096 50 0 BEAARN Cc1ccccc1OCCCC(=O)N(C)C ZINC000065540006 179309728 /nfs/dbraw/zinc/30/97/28/179309728.db2.gz KEMBJPDLCMVKPP-UHFFFAOYSA-N 0 0 221.300 2.242 50 0 BEAARN Cc1ccccc1OCC(=O)Nc1cccnc1 ZINC000000191601 179309893 /nfs/dbraw/zinc/30/98/93/179309893.db2.gz MUOTYWWZYLNCGX-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN Cc1ccccc1Oc1ccc[n+]([O-])c1 ZINC000071773171 179314252 /nfs/dbraw/zinc/31/42/52/179314252.db2.gz VWUGKJHBPRNHBO-UHFFFAOYSA-N 0 0 201.225 2.421 50 0 BEAARN Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCO1 ZINC000012982567 179337482 /nfs/dbraw/zinc/33/74/82/179337482.db2.gz UOFWAPXVZQBOSB-WCQYABFASA-N 0 0 233.311 2.351 50 0 BEAARN CCc1c(Cl)nc2cc(C)ccn2c1=O ZINC000725243974 537995986 /nfs/dbraw/zinc/99/59/86/537995986.db2.gz CDVVBQPOVFUITL-UHFFFAOYSA-N 0 0 222.675 2.219 50 0 BEAARN Cc1ccccc1[C@H](C(=O)NC1CCC1)N(C)C ZINC000095375357 179332931 /nfs/dbraw/zinc/33/29/31/179332931.db2.gz CBCLTCVHRXJYBV-CQSZACIVSA-N 0 0 246.354 2.266 50 0 BEAARN Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)[O-] ZINC000049354073 179339806 /nfs/dbraw/zinc/33/98/06/179339806.db2.gz RGMGHSPKOOBDDI-UWVGGRQHSA-N 0 0 207.273 2.119 50 0 BEAARN Cc1cccnc1-c1n[nH]c(-c2cccnc2)n1 ZINC000065406914 179357630 /nfs/dbraw/zinc/35/76/30/179357630.db2.gz HHATYBQBAJCQJI-UHFFFAOYSA-N 0 0 237.266 2.237 50 0 BEAARN Cc1ccccc1[C@]1(O)CCN(CC(F)F)C1 ZINC000067774181 179352669 /nfs/dbraw/zinc/35/26/69/179352669.db2.gz FTQCPVSVYBKHJB-ZDUSSCGKSA-N 0 0 241.281 2.153 50 0 BEAARN CCC1CCC2(CC1)[NH2+][C@H](C(=O)[O-])CS2 ZINC000004855385 348184453 /nfs/dbraw/zinc/18/44/53/348184453.db2.gz ZBZFJJPNXBZWPC-YUCVTWSNSA-N 0 0 229.345 2.073 50 0 BEAARN Cc1ccn(-c2ccc(Cn3ccnc3)cc2)n1 ZINC000065435063 179399903 /nfs/dbraw/zinc/39/99/03/179399903.db2.gz BYCPSZISIBHZLB-UHFFFAOYSA-N 0 0 238.294 2.426 50 0 BEAARN Cc1ccn(C(=O)COc2ccccc2C)n1 ZINC000000359015 179399922 /nfs/dbraw/zinc/39/99/22/179399922.db2.gz HFBODWPUAAWDGR-UHFFFAOYSA-N 0 0 230.267 2.219 50 0 BEAARN CCc1cccn2c(=O)c(CC)c(Cl)nc12 ZINC000725245874 538004384 /nfs/dbraw/zinc/00/43/84/538004384.db2.gz YPYAQOYXMTUIAG-UHFFFAOYSA-N 0 0 236.702 2.473 50 0 BEAARN Cc1ccnc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000089701907 179434609 /nfs/dbraw/zinc/43/46/09/179434609.db2.gz ZOMOKNZEZLLUDF-PHIMTYICSA-N 0 0 203.289 2.021 50 0 BEAARN Cc1ccsc1/C=C1\SC(=N)NC1=O ZINC000004646583 179533917 /nfs/dbraw/zinc/53/39/17/179533917.db2.gz NFDAWATZLGKCQD-DAXSKMNVSA-N 0 0 224.310 2.195 50 0 BEAARN Cc1cnc(CNC(=O)CSC(C)(C)C)o1 ZINC000075092656 179601173 /nfs/dbraw/zinc/60/11/73/179601173.db2.gz UYAVYHZINUGHIP-UHFFFAOYSA-N 0 0 242.344 2.131 50 0 BEAARN Cc1cnc([C@@H](NC(=O)C2CC2)C2CC2)s1 ZINC000089702371 179649647 /nfs/dbraw/zinc/64/96/47/179649647.db2.gz BNWIBYWNJKQNCC-JTQLQIEISA-N 0 0 236.340 2.429 50 0 BEAARN Cc1cnc(COC(=O)c2ccoc2C)o1 ZINC000095405223 179616105 /nfs/dbraw/zinc/61/61/05/179616105.db2.gz SDKKWMWAUNMNGQ-UHFFFAOYSA-N 0 0 221.212 2.241 50 0 BEAARN CCOC(=O)c1c(F)ccc(OCOC)c1F ZINC000097756603 348860084 /nfs/dbraw/zinc/86/00/84/348860084.db2.gz BIWKZGCZMDNLHC-UHFFFAOYSA-N 0 0 246.209 2.124 50 0 BEAARN CC[C@H](C)[C@]1(C)O[C@]1(CC)C(=O)OC ZINC000669384326 538015483 /nfs/dbraw/zinc/01/54/83/538015483.db2.gz SZINVWZUNDFDCD-INTQDDNPSA-N 0 0 200.278 2.143 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]12CCC[C@@H](C)C2 ZINC000669384610 538017272 /nfs/dbraw/zinc/01/72/72/538017272.db2.gz YRJFXUOEJCHNTJ-YUSALJHKSA-N 0 0 212.289 2.287 50 0 BEAARN CCSc1nc(C)c(CC)c(C)c1C(N)=O ZINC000000616717 349000794 /nfs/dbraw/zinc/00/07/94/349000794.db2.gz XWJPWGGSJKMVLO-UHFFFAOYSA-N 0 0 238.356 2.472 50 0 BEAARN Cc1cnn2c1nc(Cl)cc2Cl ZINC000079030591 179749436 /nfs/dbraw/zinc/74/94/36/179749436.db2.gz SHZDPXWKNQJIMX-UHFFFAOYSA-N 0 0 202.044 2.345 50 0 BEAARN CC(=O)Oc1ccc(C(=O)NC2CCCC2)cc1 ZINC000000030052 190968928 /nfs/dbraw/zinc/96/89/28/190968928.db2.gz CPEWONPRIWXIQK-UHFFFAOYSA-N 0 0 247.294 2.284 50 0 BEAARN CC(C)Cn1c2ccccc2nc1CO ZINC000000351166 190969443 /nfs/dbraw/zinc/96/94/43/190969443.db2.gz JEYWGUJVFOUABW-UHFFFAOYSA-N 0 0 204.273 2.185 50 0 BEAARN Cc1csc(NC(=O)[C@@H]2CC2(F)F)n1 ZINC000294535813 179787515 /nfs/dbraw/zinc/78/75/15/179787515.db2.gz RFTDTWORXHLKST-YFKPBYRVSA-N 0 0 218.228 2.045 50 0 BEAARN O=C(CC1CCCC1)NCc1cccnc1 ZINC000008723337 190978610 /nfs/dbraw/zinc/97/86/10/190978610.db2.gz XEEAFHJNDBAMTQ-UHFFFAOYSA-N 0 0 218.300 2.278 50 0 BEAARN C=CC(=O)N1CCCc2ccccc2C1 ZINC000062945028 349271526 /nfs/dbraw/zinc/27/15/26/349271526.db2.gz XRBBTYFVOGTVMT-UHFFFAOYSA-N 0 0 201.269 2.147 50 0 BEAARN COc1cc(Br)cc(F)c1O ZINC000211757357 349282147 /nfs/dbraw/zinc/28/21/47/349282147.db2.gz BTCHOYBCJUHSDT-UHFFFAOYSA-N 0 0 221.025 2.302 50 0 BEAARN CC(Nc1ccccc1)=C1CCOC1=O ZINC000103028727 323221950 /nfs/dbraw/zinc/22/19/50/323221950.db2.gz RWAIILIXTWTSAD-LUAWRHEFSA-N 0 0 203.241 2.319 50 0 BEAARN Cc1nc(-c2nc(C3CC3)no2)cs1 ZINC000098009563 179869871 /nfs/dbraw/zinc/86/98/71/179869871.db2.gz JOIJHHORBWMIQN-UHFFFAOYSA-N 0 0 207.258 2.379 50 0 BEAARN Cc1nc(-n2cccc2)sc1C(=O)NC(C)C ZINC000012409459 179872192 /nfs/dbraw/zinc/87/21/92/179872192.db2.gz XLGDZFREYOQWRQ-UHFFFAOYSA-N 0 0 249.339 2.380 50 0 BEAARN CC(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000037695102 190989507 /nfs/dbraw/zinc/98/95/07/190989507.db2.gz MQZMQRPCNLHVND-UONOGXRCSA-N 0 0 249.310 2.327 50 0 BEAARN Cc1nc(C)c(C(=O)NCc2ccccn2)s1 ZINC000029517197 179901959 /nfs/dbraw/zinc/90/19/59/179901959.db2.gz HJPVYOYXMFSFPJ-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cc1nc(C)n(Cc2ccc3c(c2)CCC3)n1 ZINC000089718025 179923052 /nfs/dbraw/zinc/92/30/52/179923052.db2.gz WCTXDEDTGPTKKB-UHFFFAOYSA-N 0 0 227.311 2.432 50 0 BEAARN COc1ccc([C@H]2CC(=O)CCO2)cc1 ZINC000069850980 191002957 /nfs/dbraw/zinc/00/29/57/191002957.db2.gz DADYYFMMZDWEEQ-GFCCVEGCSA-N 0 0 206.241 2.116 50 0 BEAARN CCN(CC)c1ccc(C(=O)N[C@H]2C[C@@H]2C)cn1 ZINC000072094591 191004149 /nfs/dbraw/zinc/00/41/49/191004149.db2.gz WBZZJFMIJREPNF-JQWIXIFHSA-N 0 0 247.342 2.066 50 0 BEAARN C/C=C/C=C/c1nc(-c2cnccn2)no1 ZINC000084136259 191007937 /nfs/dbraw/zinc/00/79/37/191007937.db2.gz AVLWSLGDILWARE-MQQKCMAXSA-N 0 0 214.228 2.116 50 0 BEAARN CC(=O)O[C@@H]1C[C@@]2(CC=CCC2)CC[C@@H]1O ZINC000043198708 323236711 /nfs/dbraw/zinc/23/67/11/323236711.db2.gz JQNRLSUGPVPVAO-YNEHKIRRSA-N 0 0 224.300 2.189 50 0 BEAARN Cc1nc(Cl)cc(N[C@](C)(CO)C2CC2)n1 ZINC000084271817 179990283 /nfs/dbraw/zinc/99/02/83/179990283.db2.gz VJBNWQICLQXBIB-LLVKDONJSA-N 0 0 241.722 2.011 50 0 BEAARN CCOC(=O)c1cc(F)ncc1C(F)(F)F ZINC000309156407 350108844 /nfs/dbraw/zinc/10/88/44/350108844.db2.gz FJPNSNAZIHLPRF-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN Cc1nc(NC(=O)[C@@H]2C[C@@H]2C)sc1C ZINC000013021333 180011256 /nfs/dbraw/zinc/01/12/56/180011256.db2.gz FIRYCVGSZAANRZ-YLWLKBPMSA-N 0 0 210.302 2.354 50 0 BEAARN Cc1nc(NC(=O)[C@H]2C[C@H]2C)sc1C ZINC000013021328 180011732 /nfs/dbraw/zinc/01/17/32/180011732.db2.gz FIRYCVGSZAANRZ-XRGYYRRGSA-N 0 0 210.302 2.354 50 0 BEAARN Cc1nc(NC(=O)c2ccncc2)sc1C ZINC000005749354 180014643 /nfs/dbraw/zinc/01/46/43/180014643.db2.gz PRTLGFPSBFWRJN-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1nc(NC(=O)c2ccccn2)sc1C ZINC000021359704 180014656 /nfs/dbraw/zinc/01/46/56/180014656.db2.gz ACZNIAFMADAIGC-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1nn(C)c2c1nc(C)nc2NC1CCCC1 ZINC000032650384 180016350 /nfs/dbraw/zinc/01/63/50/180016350.db2.gz JJVBXYYLNCGTHV-UHFFFAOYSA-N 0 0 245.330 2.335 50 0 BEAARN O=C1CCCN1CCSc1cccs1 ZINC000096409123 490313903 /nfs/dbraw/zinc/31/39/03/490313903.db2.gz OEVGWCDFJZAAEC-UHFFFAOYSA-N 0 0 227.354 2.463 50 0 BEAARN Cc1nc(NCc2sccc2C)n(C)n1 ZINC000170082130 180021252 /nfs/dbraw/zinc/02/12/52/180021252.db2.gz HGCFTQLZXGSCPN-UHFFFAOYSA-N 0 0 222.317 2.106 50 0 BEAARN O=C(CCCCCn1cccc1)Nc1cn[nH]c1 ZINC000604418561 350127704 /nfs/dbraw/zinc/12/77/04/350127704.db2.gz UIIRWXDOIHZWKX-UHFFFAOYSA-N 0 0 246.314 2.410 50 0 BEAARN CC(=O)c1csc(C(=O)N2CCCC2)c1 ZINC000089291935 191020615 /nfs/dbraw/zinc/02/06/15/191020615.db2.gz YKZNXMUCYAELJX-UHFFFAOYSA-N 0 0 223.297 2.187 50 0 BEAARN CCc1[nH]nc(NC(=O)c2oc(C)nc2C)c1C ZINC000089280061 191020910 /nfs/dbraw/zinc/02/09/10/191020910.db2.gz MWBGJSNPSIPJHP-UHFFFAOYSA-N 0 0 248.286 2.138 50 0 BEAARN CC(C)N(C)C(=O)[C@H](C)SC1CCOCC1 ZINC000089856810 191021901 /nfs/dbraw/zinc/02/19/01/191021901.db2.gz WRPVRVXDYJMIKC-JTQLQIEISA-N 0 0 245.388 2.154 50 0 BEAARN Cc1nc2c(N)cc(Br)cn2c1C ZINC000030678029 180066498 /nfs/dbraw/zinc/06/64/98/180066498.db2.gz JNXOWVWCTOFBPU-UHFFFAOYSA-N 0 0 240.104 2.296 50 0 BEAARN COCC(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390830652 350129648 /nfs/dbraw/zinc/12/96/48/350129648.db2.gz MLORLJNQMQMFCR-UHFFFAOYSA-N 0 0 245.278 2.209 50 0 BEAARN Cc1nc2c(s1)CCc1nc(N)sc1-2 ZINC000075172815 180074025 /nfs/dbraw/zinc/07/40/25/180074025.db2.gz WKHKREWWSZPNIG-UHFFFAOYSA-N 0 0 223.326 2.256 50 0 BEAARN Cc1nc2c(c(C)c1Br)CCN2C ZINC000066054835 180068421 /nfs/dbraw/zinc/06/84/21/180068421.db2.gz FDRNRIWUVJAXEW-UHFFFAOYSA-N 0 0 241.132 2.453 50 0 BEAARN Cc1nc2ccccc2c(=O)n1-c1cccnc1 ZINC000000351520 180101306 /nfs/dbraw/zinc/10/13/06/180101306.db2.gz ZLVHQWMBSKEKFB-UHFFFAOYSA-N 0 0 237.262 2.089 50 0 BEAARN Cc1nc2ccccc2nc1COC(=O)C1CC1 ZINC000095946768 180103313 /nfs/dbraw/zinc/10/33/13/180103313.db2.gz PJLPJESWVUMESH-UHFFFAOYSA-N 0 0 242.278 2.391 50 0 BEAARN Cc1nc2ccccn2c1-c1cc[nH]c(=S)n1 ZINC000015924081 180105239 /nfs/dbraw/zinc/10/52/39/180105239.db2.gz JXIYNECIGZSIKR-UHFFFAOYSA-N 0 0 242.307 2.388 50 0 BEAARN Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077407846 180119047 /nfs/dbraw/zinc/11/90/47/180119047.db2.gz XQBZDVBMOZUVIX-DCAQKATOSA-N 0 0 233.315 2.027 50 0 BEAARN Cc1cccc2c(=O)cc(-c3ccnn3C)[nH]c12 ZINC000725257581 538067506 /nfs/dbraw/zinc/06/75/06/538067506.db2.gz RVIGHHRBXCCQDC-UHFFFAOYSA-N 0 0 239.278 2.237 50 0 BEAARN c1cc2c(ncnc2NC2CCOCC2)s1 ZINC000032511760 350202159 /nfs/dbraw/zinc/20/21/59/350202159.db2.gz LTHMJGINPAASCY-UHFFFAOYSA-N 0 0 235.312 2.282 50 0 BEAARN Cc1nccc(NC(=O)NCC(F)F)c1Cl ZINC000097163459 180196588 /nfs/dbraw/zinc/19/65/88/180196588.db2.gz QHGPQAHWLJWDBB-UHFFFAOYSA-N 0 0 249.648 2.430 50 0 BEAARN Cc1ncc2c(c1C(N)=O)-c1ccccc1CC2 ZINC000072447014 180178008 /nfs/dbraw/zinc/17/80/08/180178008.db2.gz UHSNIOXDBQKDMO-UHFFFAOYSA-N 0 0 238.290 2.255 50 0 BEAARN Cc1nccc(-c2ccc(-n3cncn3)cc2)n1 ZINC000012955627 180179223 /nfs/dbraw/zinc/17/92/23/180179223.db2.gz YUCZDTFMDBVCRD-UHFFFAOYSA-N 0 0 237.266 2.033 50 0 BEAARN Cc1ncccc1C(=O)OC[C@@H]1CCCCO1 ZINC000078797097 180215924 /nfs/dbraw/zinc/21/59/24/180215924.db2.gz WWWSTDHVRYEETP-NSHDSACASA-N 0 0 235.283 2.116 50 0 BEAARN Cc1ncn(Cc2nnc(-c3ccco3)o2)c1C ZINC000072282490 180289105 /nfs/dbraw/zinc/28/91/05/180289105.db2.gz PPXGWCNWXREASR-UHFFFAOYSA-N 0 0 244.254 2.191 50 0 BEAARN Cc1ccoc1C(=O)Nc1ccccn1 ZINC000027654367 350312922 /nfs/dbraw/zinc/31/29/22/350312922.db2.gz CHPHUFKTORCOLJ-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Cc1ncn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1C ZINC000072282494 180284680 /nfs/dbraw/zinc/28/46/80/180284680.db2.gz BXFOJKMHALEUTP-QWRGUYRKSA-N 0 0 249.358 2.289 50 0 BEAARN Cc1nc2ccccc2c(-c2ccc(N)nc2)n1 ZINC000426518786 191093868 /nfs/dbraw/zinc/09/38/68/191093868.db2.gz MCOYFEJFUHKTTG-UHFFFAOYSA-N 0 0 236.278 2.413 50 0 BEAARN Cc1ncn(CC(=O)N2[C@H](C)CCC[C@H]2C)c1C ZINC000072282495 180286444 /nfs/dbraw/zinc/28/64/44/180286444.db2.gz BXFOJKMHALEUTP-GHMZBOCLSA-N 0 0 249.358 2.289 50 0 BEAARN Cc1nc(CCNC(=O)c2ccoc2)cs1 ZINC000040488964 350367297 /nfs/dbraw/zinc/36/72/97/350367297.db2.gz IKNAWOFTRZKJBX-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN Cc1nc2c(C)cc(-c3c(C)n[nH]c3C)cn2n1 ZINC000426571378 191096912 /nfs/dbraw/zinc/09/69/12/191096912.db2.gz DOTJVJZRZKAMEJ-UHFFFAOYSA-N 0 0 241.298 2.353 50 0 BEAARN CO[C@@H](C)N1CC[C@H](Cc2ccccc2)C1=O ZINC000601013364 350329547 /nfs/dbraw/zinc/32/95/47/350329547.db2.gz AZMYJICYHZKRTC-WCQYABFASA-N 0 0 233.311 2.070 50 0 BEAARN CCOc1ccc([C@H]2CCC[NH2+][C@@H]2C(=O)[O-])cc1 ZINC000601013339 350329876 /nfs/dbraw/zinc/32/98/76/350329876.db2.gz FSNJMXFHMYBOKB-OLZOCXBDSA-N 0 0 249.310 2.006 50 0 BEAARN CO[C@H](C)N1CC[C@H](Cc2ccccc2)C1=O ZINC000601013363 350329924 /nfs/dbraw/zinc/32/99/24/350329924.db2.gz AZMYJICYHZKRTC-DGCLKSJQSA-N 0 0 233.311 2.070 50 0 BEAARN CCOc1ccc([C@H]2CCC[NH2+][C@H]2C(=O)[O-])cc1 ZINC000601013338 350330008 /nfs/dbraw/zinc/33/00/08/350330008.db2.gz FSNJMXFHMYBOKB-CHWSQXEVSA-N 0 0 249.310 2.006 50 0 BEAARN C[C@@H](CO)Nc1ccc(F)c(Cl)c1 ZINC000000406002 350333078 /nfs/dbraw/zinc/33/30/78/350333078.db2.gz KLMJTKRRVZWMMR-LURJTMIESA-N 0 0 203.644 2.272 50 0 BEAARN Cc1ncsc1CCS(=O)(=O)CC(C)C ZINC000086165834 180310767 /nfs/dbraw/zinc/31/07/67/180310767.db2.gz KINQXNNFMORXRU-UHFFFAOYSA-N 0 0 247.385 2.065 50 0 BEAARN Cc1n[nH]c(C)c1-c1ccc(N2CCCC2)nn1 ZINC000426538039 191096325 /nfs/dbraw/zinc/09/63/25/191096325.db2.gz DACSCDVVGVMPJZ-UHFFFAOYSA-N 0 0 243.314 2.084 50 0 BEAARN C[C@@H](CO)NC(=O)Nc1cccc2c1CCCC2 ZINC000040526147 350373358 /nfs/dbraw/zinc/37/33/58/350373358.db2.gz NLGKKKJEQDPJSY-JTQLQIEISA-N 0 0 248.326 2.068 50 0 BEAARN Cc1nn(C(C)(C)C)c(=O)n1C1CCCC1 ZINC000097115035 180331687 /nfs/dbraw/zinc/33/16/87/180331687.db2.gz AULNUIXLDBFAGR-UHFFFAOYSA-N 0 0 223.320 2.223 50 0 BEAARN CCc1cc(NCCc2cccnc2)ncn1 ZINC000040765154 350395583 /nfs/dbraw/zinc/39/55/83/350395583.db2.gz GNYGUMIISHRVEI-UHFFFAOYSA-N 0 0 228.299 2.089 50 0 BEAARN Cc1ncsc1CNC(=O)NC1CCCC1 ZINC000078446517 180318626 /nfs/dbraw/zinc/31/86/26/180318626.db2.gz JYEGBGMZIFYPJG-UHFFFAOYSA-N 0 0 239.344 2.193 50 0 BEAARN Cc1nn(C)c(C)c1Cc1ccc(O)cc1 ZINC000000168505 180342468 /nfs/dbraw/zinc/34/24/68/180342468.db2.gz WDAAPGCAQWJYSL-UHFFFAOYSA-N 0 0 216.284 2.333 50 0 BEAARN CC(C)(C(=O)NC1CC1)c1ccccc1 ZINC000032892722 350436335 /nfs/dbraw/zinc/43/63/35/350436335.db2.gz NPCRBWWFVSHJLX-UHFFFAOYSA-N 0 0 203.285 2.243 50 0 BEAARN CO[C@H](C)c1ccc(-c2cc(N)ncn2)cc1 ZINC000426606671 191101497 /nfs/dbraw/zinc/10/14/97/191101497.db2.gz AOZCEYFFBWJYEU-SECBINFHSA-N 0 0 229.283 2.264 50 0 BEAARN Cc1nn(C)c2c1[C@H](c1ccccc1)CC(=O)N2 ZINC000072115629 180362044 /nfs/dbraw/zinc/36/20/44/180362044.db2.gz MNNMIFHIYRCBKV-NSHDSACASA-N 0 0 241.294 2.203 50 0 BEAARN COC(=O)c1cnn(Cc2ccc(C)cc2)c1 ZINC000012396480 350457026 /nfs/dbraw/zinc/45/70/26/350457026.db2.gz OPKLNBQFWHDZJC-UHFFFAOYSA-N 0 0 230.267 2.026 50 0 BEAARN Cc1nn2c(nc(-c3ccccc3)cc2=O)s1 ZINC000032264583 180393077 /nfs/dbraw/zinc/39/30/77/180393077.db2.gz NQWOQIXDRWODSL-UHFFFAOYSA-N 0 0 243.291 2.126 50 0 BEAARN Cc1nn([C@H](C)C(=O)NC(C)C)c2ccccc12 ZINC000015671588 180393572 /nfs/dbraw/zinc/39/35/72/180393572.db2.gz SAUYYFOTNVATRN-LLVKDONJSA-N 0 0 245.326 2.430 50 0 BEAARN Cc1nn2ccccc2c1Br ZINC000082373784 180394568 /nfs/dbraw/zinc/39/45/68/180394568.db2.gz CNXNUGAFNDHRDX-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN Cc1nn(CC(C)C)c(Cl)c1C=O ZINC000006652635 180385758 /nfs/dbraw/zinc/38/57/58/180385758.db2.gz UOVSFOKWXPOGJC-UHFFFAOYSA-N 0 0 200.669 2.313 50 0 BEAARN Cc1nn2c(Cc3ccc(F)cc3)nnc2s1 ZINC000000385303 180395210 /nfs/dbraw/zinc/39/52/10/180395210.db2.gz AIMDZZGFUIXXPZ-UHFFFAOYSA-N 0 0 248.286 2.224 50 0 BEAARN Cc1nn(CCc2ccccc2)c(C)c1N ZINC000019869433 180389605 /nfs/dbraw/zinc/38/96/05/180389605.db2.gz BHDIMAIBIQWXPD-UHFFFAOYSA-N 0 0 215.300 2.325 50 0 BEAARN Cc1nn(COc2ccc(F)cc2)c(C)c1N ZINC000002535098 180389649 /nfs/dbraw/zinc/38/96/49/180389649.db2.gz VAUPTEYZYKVYNL-UHFFFAOYSA-N 0 0 235.262 2.258 50 0 BEAARN Cc1nnc(CSc2nccn2C2CC2)o1 ZINC000040485824 180417259 /nfs/dbraw/zinc/41/72/59/180417259.db2.gz CSJYYTZUIQFLCK-UHFFFAOYSA-N 0 0 236.300 2.202 50 0 BEAARN Cc1nnc(NC(=O)Cc2ccccc2)s1 ZINC000009348661 180430210 /nfs/dbraw/zinc/43/02/10/180430210.db2.gz GQKKXRKNUNAOPG-UHFFFAOYSA-N 0 0 233.296 2.028 50 0 BEAARN CS[C@H]1CCC[C@H]1N(C)C(=O)NC1CC1 ZINC000076092163 362971105 /nfs/dbraw/zinc/97/11/05/362971105.db2.gz KHIOEEVGRLXWQS-ZJUUUORDSA-N 0 0 228.361 2.074 50 0 BEAARN Cc1nnc2sc(-c3cccs3)nn12 ZINC000004487533 180450860 /nfs/dbraw/zinc/45/08/60/180450860.db2.gz SUTIQFKUKYLVFN-UHFFFAOYSA-N 0 0 222.298 2.223 50 0 BEAARN Cc1cc(C)n(CC(=O)N(C)C2CCCCC2)n1 ZINC000048326057 350813494 /nfs/dbraw/zinc/81/34/94/350813494.db2.gz YOODPKIXUPVIIE-UHFFFAOYSA-N 0 0 249.358 2.291 50 0 BEAARN Cc1nsc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000078302833 180522989 /nfs/dbraw/zinc/52/29/89/180522989.db2.gz HQHXOKQNBIWEDU-HLTSFMKQSA-N 0 0 239.344 2.072 50 0 BEAARN Cc1nsc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000098013801 180519259 /nfs/dbraw/zinc/51/92/59/180519259.db2.gz CRVLPIOYCGVEOD-BQBZGAKWSA-N 0 0 229.374 2.177 50 0 BEAARN CCCCCSc1nnc(N)s1 ZINC000002150981 350915586 /nfs/dbraw/zinc/91/55/86/350915586.db2.gz FWZCZBSIHYLSRI-UHFFFAOYSA-N 0 0 203.336 2.403 50 0 BEAARN Clc1ccnc2c3n[nH]nc3ccc12 ZINC000000968659 350962426 /nfs/dbraw/zinc/96/24/26/350962426.db2.gz BCOPSLZPHZPOHH-UHFFFAOYSA-N 0 0 204.620 2.160 50 0 BEAARN CC(=O)Nc1c(N)sc2ccccc21 ZINC000000983309 350969247 /nfs/dbraw/zinc/96/92/47/350969247.db2.gz PKGNDTNXZQNKGN-UHFFFAOYSA-N 0 0 206.270 2.442 50 0 BEAARN O=C1NCC2(CCCC2)Oc2ccccc21 ZINC000000993457 350972516 /nfs/dbraw/zinc/97/25/16/350972516.db2.gz JSQONRKYGZEBFV-UHFFFAOYSA-N 0 0 217.268 2.122 50 0 BEAARN C[C@H]1C=C2Nc3ccccc3NCC2C(=O)O1 ZINC000001017466 350979944 /nfs/dbraw/zinc/97/99/44/350979944.db2.gz WBUBDPQLFANNOE-QMMMGPOBSA-N 0 0 230.267 2.114 50 0 BEAARN Clc1cc(NCc2ccco2)ncn1 ZINC000001736381 180575866 /nfs/dbraw/zinc/57/58/66/180575866.db2.gz STRGJGAQEVTISA-UHFFFAOYSA-N 0 0 209.636 2.335 50 0 BEAARN CC(=O)c1ccc(CCNC(=O)C2CC2)s1 ZINC000225669654 191133150 /nfs/dbraw/zinc/13/31/50/191133150.db2.gz VCJXSALIDASFLM-UHFFFAOYSA-N 0 0 237.324 2.019 50 0 BEAARN Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000005889201 351290241 /nfs/dbraw/zinc/29/02/41/351290241.db2.gz PWPBEEZDRUZVLS-UHFFFAOYSA-N 0 0 217.316 2.391 50 0 BEAARN Cc1ccc(CN(C)[C@@H]2C[C@H](C)OC2=O)cc1 ZINC000040023625 351291392 /nfs/dbraw/zinc/29/13/92/351291392.db2.gz JGXXCINWJJLPKY-WCQYABFASA-N 0 0 233.311 2.131 50 0 BEAARN Clc1ccc(Oc2ccccn2)nn1 ZINC000075286434 180584384 /nfs/dbraw/zinc/58/43/84/180584384.db2.gz UIDVLFRGGOIVDY-UHFFFAOYSA-N 0 0 207.620 2.317 50 0 BEAARN Cn1c2ccccc2nc1-c1ccc(CO)o1 ZINC000000807831 180606702 /nfs/dbraw/zinc/60/67/02/180606702.db2.gz BWGSXVWGBUJUQY-UHFFFAOYSA-N 0 0 228.251 2.326 50 0 BEAARN Cn1cc(-c2ccc(F)cc2)c2nc[nH]c(=O)c21 ZINC000057352259 180627044 /nfs/dbraw/zinc/62/70/44/180627044.db2.gz PZQHTGGMJXMIDR-UHFFFAOYSA-N 0 0 243.241 2.068 50 0 BEAARN Cn1cc(-c2csc([C@H]3CCCO3)n2)cn1 ZINC000136491299 180627828 /nfs/dbraw/zinc/62/78/28/180627828.db2.gz PLVZRJWHJCTUHU-SNVBAGLBSA-N 0 0 235.312 2.395 50 0 BEAARN CC(C)(CCNC(=O)C1CCOCC1)C1CC1 ZINC000360763974 187556191 /nfs/dbraw/zinc/55/61/91/187556191.db2.gz NBFVVUBEELEYCN-UHFFFAOYSA-N 0 0 239.359 2.356 50 0 BEAARN COc1cc(CNC(=O)[C@@H]2CC=CCC2)ccn1 ZINC000012536780 351994613 /nfs/dbraw/zinc/99/46/13/351994613.db2.gz RGNFUUOJHUQMTJ-GFCCVEGCSA-N 0 0 246.310 2.063 50 0 BEAARN CC(C)Cc1ccc([C@@H](C)C(N)=O)cc1 ZINC000000112491 187582784 /nfs/dbraw/zinc/58/27/84/187582784.db2.gz REUQKCDCQVNKLW-SNVBAGLBSA-N 0 0 205.301 2.474 50 0 in-vivo BEAARN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000013319996 187587557 /nfs/dbraw/zinc/58/75/57/187587557.db2.gz RJDRLSHRAYLXIA-ZWNOBZJWSA-N 0 0 249.310 2.051 50 0 BEAARN CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000039947605 187601039 /nfs/dbraw/zinc/60/10/39/187601039.db2.gz IIDISJMZFQAYKG-SNVBAGLBSA-N 0 0 227.304 2.223 50 0 BEAARN CN(C)c1ncc(Br)cc1F ZINC000095616306 187627459 /nfs/dbraw/zinc/62/74/59/187627459.db2.gz ZXXXQZCGFMRPCE-UHFFFAOYSA-N 0 0 219.057 2.049 50 0 BEAARN C/C=C/C=C\C(=O)NCc1cccnc1OCC ZINC000097015822 187628741 /nfs/dbraw/zinc/62/87/41/187628741.db2.gz YTRASQRWNXLVCE-BWRAOMHSSA-N 0 0 246.310 2.229 50 0 BEAARN C/C(=C\C(=O)N1CCC[C@H]1CO)c1ccccc1 ZINC000179185663 187652328 /nfs/dbraw/zinc/65/23/28/187652328.db2.gz GTEKTSDWYBDPNM-WONIAPNHSA-N 0 0 245.322 2.073 50 0 BEAARN CC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000334599808 352351713 /nfs/dbraw/zinc/35/17/13/352351713.db2.gz DEUJCRBNZUHRHB-QMMMGPOBSA-N 0 0 229.201 2.227 50 0 BEAARN Cn1ccc(NC(=O)c2cc3ccccc3[nH]2)n1 ZINC000012946727 180710927 /nfs/dbraw/zinc/71/09/27/180710927.db2.gz UMARRJKNPXWBFU-UHFFFAOYSA-N 0 0 240.266 2.154 50 0 BEAARN C[C@@H]1CCN(C(=O)c2cc[nH]c2)CC1(F)F ZINC000334709838 352369300 /nfs/dbraw/zinc/36/93/00/352369300.db2.gz AGKRGCIJZCVPAS-MRVPVSSYSA-N 0 0 228.242 2.132 50 0 BEAARN CC[C@H](SC)C(=O)Nc1cc(C)on1 ZINC000044973221 352524287 /nfs/dbraw/zinc/52/42/87/352524287.db2.gz WFGDCBPHGQVEIK-ZETCQYMHSA-N 0 0 214.290 2.063 50 0 BEAARN Cn1ccnc1SC[C@H](O)c1ccccc1 ZINC000006746114 180754682 /nfs/dbraw/zinc/75/46/82/180754682.db2.gz ZFWNNCVHBLUPJL-NSHDSACASA-N 0 0 234.324 2.246 50 0 BEAARN CN(CC(F)F)C(=O)N(C)C1CCCC1 ZINC000335858630 352559763 /nfs/dbraw/zinc/55/97/63/352559763.db2.gz LEYJQWYFDLZINO-UHFFFAOYSA-N 0 0 220.263 2.178 50 0 BEAARN OCc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000725273664 538104860 /nfs/dbraw/zinc/10/48/60/538104860.db2.gz TVDCQCVIUKJYJE-UHFFFAOYSA-N 0 0 230.267 2.496 50 0 BEAARN CCn1c(=O)[nH]nc1S[C@@H]1CC[C@@H](C)C1 ZINC000334197386 352789274 /nfs/dbraw/zinc/78/92/74/352789274.db2.gz KWIBEJPRGQYRFX-HTQZYQBOSA-N 0 0 227.333 2.284 50 0 BEAARN CC(=O)Nc1sc(N)nc1-c1cccs1 ZINC000000351778 187924383 /nfs/dbraw/zinc/92/43/83/187924383.db2.gz FRBSZMIINJLVAW-UHFFFAOYSA-N 0 0 239.325 2.412 50 0 BEAARN C[C@@]12CC[C@@H]3[C@@]1(C)N(CCOC3(C)C)C(=O)O2 ZINC000004126738 187927664 /nfs/dbraw/zinc/92/76/64/187927664.db2.gz ZWWCSLNKKSSOED-ZWKOPEQDSA-N 0 0 239.315 2.175 50 0 BEAARN Cn1ncc2cc(F)c(Br)cc21 ZINC000071790119 180827613 /nfs/dbraw/zinc/82/76/13/180827613.db2.gz YLZKXJRVDISQRH-UHFFFAOYSA-N 0 0 229.052 2.475 50 0 BEAARN CC(C)c1cncnc1N1CC(C)(C)[C@@](C)(O)C1 ZINC000091876996 187973453 /nfs/dbraw/zinc/97/34/53/187973453.db2.gz YXDOELUYHKCAMN-AWEZNQCLSA-N 0 0 249.358 2.197 50 0 BEAARN Cn1cccc1C(=O)C(=O)NC1CCCCCC1 ZINC000065083874 187957912 /nfs/dbraw/zinc/95/79/12/187957912.db2.gz PIUKQAGIFHQLRI-UHFFFAOYSA-N 0 0 248.326 2.047 50 0 BEAARN Cc1ccc(CC(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000072442438 187961914 /nfs/dbraw/zinc/96/19/14/187961914.db2.gz YXMWECHQYKCSRC-AWEZNQCLSA-N 0 0 247.338 2.141 50 0 BEAARN C[P@](=O)(Oc1ccccc1)N1CCOC1=O ZINC000000448411 187988306 /nfs/dbraw/zinc/98/83/06/187988306.db2.gz FIONHKCBFIDMTO-INIZCTEOSA-N 0 0 241.183 2.341 50 0 BEAARN C/C=C/C(CC)(C(=O)OCC)C(=O)OCC ZINC000025625990 188009363 /nfs/dbraw/zinc/00/93/63/188009363.db2.gz XKHGXICUYCXHRK-WEVVVXLNSA-N 0 0 228.288 2.085 50 0 BEAARN CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)[O-] ZINC000225450939 188010276 /nfs/dbraw/zinc/01/02/76/188010276.db2.gz JCHZRKRUGHMJLW-NSHDSACASA-N 0 0 213.321 2.362 50 0 BEAARN COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000225770863 188010535 /nfs/dbraw/zinc/01/05/35/188010535.db2.gz LIKQPFKSCYVWKH-AAEUAGOBSA-N 0 0 247.342 2.250 50 0 BEAARN Cc1cncc(C(=O)N2CCC=C(F)C2)c1 ZINC000273009956 188027557 /nfs/dbraw/zinc/02/75/57/188027557.db2.gz AWVYOFWTEVASCW-UHFFFAOYSA-N 0 0 220.247 2.089 50 0 BEAARN CC(=O)O[C@@H]1[C@@H]2C[C@@H]3CC[C@@H]4CS[C@@H]1[C@H]4[C@@H]23 ZINC000253488714 188049036 /nfs/dbraw/zinc/04/90/36/188049036.db2.gz BONMBFVZKGKDFQ-JOIDKUIFSA-N 0 0 238.352 2.326 50 0 BEAARN CCc1nc(CN2C[C@@H](C)OC[C@@H]2C)cs1 ZINC000045785831 353181040 /nfs/dbraw/zinc/18/10/40/353181040.db2.gz CTUFYUJCUZYSQS-VHSXEESVSA-N 0 0 240.372 2.315 50 0 BEAARN Cn1nnnc1SCc1ccccc1Cl ZINC000006219270 180876764 /nfs/dbraw/zinc/87/67/64/180876764.db2.gz BSMIYGPHWSQNBX-UHFFFAOYSA-N 0 0 240.719 2.156 50 0 BEAARN COC(=O)CN(Cc1ccc(C)cc1)C1CC1 ZINC000045837906 353244663 /nfs/dbraw/zinc/24/46/63/353244663.db2.gz JLDFQVXZSABGLK-UHFFFAOYSA-N 0 0 233.311 2.132 50 0 BEAARN CC(C)=CCS(=O)(=O)c1ccccc1 ZINC000000050497 188272116 /nfs/dbraw/zinc/27/21/16/188272116.db2.gz VHGJFEIINHHUSQ-UHFFFAOYSA-N 0 0 210.298 2.427 50 0 BEAARN CCOC(=O)c1csc(-c2cccnc2)n1 ZINC000000172307 188272484 /nfs/dbraw/zinc/27/24/84/188272484.db2.gz UXJLPDWBCGOLPH-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN CC(=O)c1csc(-c2snnc2C)n1 ZINC000000122973 188272684 /nfs/dbraw/zinc/27/26/84/188272684.db2.gz WNEZOGWESFONOZ-UHFFFAOYSA-N 0 0 225.298 2.173 50 0 BEAARN Cc1cc(N)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000001386229 188273038 /nfs/dbraw/zinc/27/30/38/188273038.db2.gz QBSKANVWHNBSBU-UHFFFAOYSA-N 0 0 242.257 2.426 50 0 BEAARN Cc1cccc(NC(=O)c2cnn(C)c2)c1C ZINC000000375780 188273045 /nfs/dbraw/zinc/27/30/45/188273045.db2.gz WJHDPSWAEXWBMD-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN CC(=O)c1cncc(Br)c1 ZINC000000336792 188273097 /nfs/dbraw/zinc/27/30/97/188273097.db2.gz LDBPZEQZCOUYFT-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN CC(=O)Cc1cc(C(C)=O)ccc1C(C)=O ZINC000000507421 188273648 /nfs/dbraw/zinc/27/36/48/188273648.db2.gz QJBXKOUUURIRNU-UHFFFAOYSA-N 0 0 218.252 2.223 50 0 BEAARN [O-]c1c(F)cc(F)cc1Br ZINC000002545225 188275078 /nfs/dbraw/zinc/27/50/78/188275078.db2.gz YDRZYJATKMBSJX-UHFFFAOYSA-N 0 0 208.989 2.433 50 0 BEAARN CC1CCN(c2nsnc2Cl)CC1 ZINC000003882575 188275256 /nfs/dbraw/zinc/27/52/56/188275256.db2.gz BTEUUVNPSMHDEN-UHFFFAOYSA-N 0 0 217.725 2.428 50 0 BEAARN CC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000002875207 188275494 /nfs/dbraw/zinc/27/54/94/188275494.db2.gz INYRNBHMKSFSER-UHFFFAOYSA-N 0 0 247.323 2.163 50 0 BEAARN CC(C)(CO)NC(=O)Nc1cccc(Cl)c1 ZINC000004438808 188276251 /nfs/dbraw/zinc/27/62/51/188276251.db2.gz GSMZYXUTIJTYGS-UHFFFAOYSA-N 0 0 242.706 2.232 50 0 BEAARN COc1ccc(CNC(=O)c2ccccc2)cn1 ZINC000011004887 188278758 /nfs/dbraw/zinc/27/87/58/188278758.db2.gz ZYAKJYAZWQTLAA-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN Nc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000012349446 188279451 /nfs/dbraw/zinc/27/94/51/188279451.db2.gz LMXZMEMPGRLDIG-UHFFFAOYSA-N 0 0 228.173 2.129 50 0 in-vivo BEAARN Cc1nc(N)sc1-c1nccn1C(F)F ZINC000012505416 188279980 /nfs/dbraw/zinc/27/99/80/188279980.db2.gz OPVVOYDFOPBLLE-UHFFFAOYSA-N 0 0 230.243 2.292 50 0 BEAARN Fc1cccc(NC(=S)Nc2cnccn2)c1 ZINC000013784770 188280262 /nfs/dbraw/zinc/28/02/62/188280262.db2.gz PRBDHCQHFABIJM-UHFFFAOYSA-N 0 0 248.286 2.425 50 0 BEAARN CC(C)COC(=O)Nc1cccc(N)c1 ZINC000019815591 188281503 /nfs/dbraw/zinc/28/15/03/188281503.db2.gz YLAXKIKEYZRKDE-UHFFFAOYSA-N 0 0 208.261 2.473 50 0 BEAARN COc1ccc(O)c(C(=O)N2CCCCCC2)c1 ZINC000032901342 188284059 /nfs/dbraw/zinc/28/40/59/188284059.db2.gz DYLMKTPSMPDGCG-UHFFFAOYSA-N 0 0 249.310 2.417 50 0 BEAARN Cc1ccc(O)c(I)c1 ZINC000032256686 188284093 /nfs/dbraw/zinc/28/40/93/188284093.db2.gz JITSLEIKSRKKCZ-UHFFFAOYSA-N 0 0 234.036 2.305 50 0 BEAARN Cc1[nH]ccc1C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000098018822 538114830 /nfs/dbraw/zinc/11/48/30/538114830.db2.gz UIVZHBPMADHSCH-TXEJJXNPSA-N 0 0 230.311 2.361 50 0 BEAARN Cc1noc2nc(C)cc(C(=O)OC(C)C)c12 ZINC000037163759 188287292 /nfs/dbraw/zinc/28/72/92/188287292.db2.gz QXWJQLOYKQCVDD-UHFFFAOYSA-N 0 0 234.255 2.405 50 0 BEAARN C/C=C/CCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC000073726562 188288035 /nfs/dbraw/zinc/28/80/35/188288035.db2.gz FTRNHXYITFKIOM-BRAIEQGRSA-N 0 0 249.358 2.288 50 0 BEAARN CC1(C)COC2(C[C@@H]3CC(=O)C[C@@H]3C2)OC1 ZINC000039434333 188291430 /nfs/dbraw/zinc/29/14/30/188291430.db2.gz DPGJBUWFVDJWGF-AOOOYVTPSA-N 0 0 224.300 2.145 50 0 BEAARN NC(=S)c1ccc(F)c(Br)c1 ZINC000083360532 188295831 /nfs/dbraw/zinc/29/58/31/188295831.db2.gz LWVZVFOAULOGHD-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN CC(C)(C)[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000046801564 188297248 /nfs/dbraw/zinc/29/72/48/188297248.db2.gz NPEKXVTWBDQQLV-ZJUUUORDSA-N 0 0 233.377 2.141 50 0 BEAARN Cc1ccc(C)c(C(=O)CCC(=O)N(C)C)c1 ZINC000047651819 188297720 /nfs/dbraw/zinc/29/77/20/188297720.db2.gz XFMBAFCSADDIDD-UHFFFAOYSA-N 0 0 233.311 2.355 50 0 BEAARN COc1c(N)cccc1Br ZINC000067176107 188305119 /nfs/dbraw/zinc/30/51/19/188305119.db2.gz ZLODWCIXZJMLJL-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN Cc1nccc(C(=O)N(C)[C@@H](C)CC(C)C)n1 ZINC000095953124 188321404 /nfs/dbraw/zinc/32/14/04/188321404.db2.gz BGTOAWIMOTYRRK-JTQLQIEISA-N 0 0 235.331 2.292 50 0 BEAARN C/C=C/C=C\C(=O)Nc1nnc(CC)s1 ZINC000096983350 188322007 /nfs/dbraw/zinc/32/20/07/188322007.db2.gz OIBCICZPKZOIDO-WZWXSLMZSA-N 0 0 223.301 2.171 50 0 BEAARN Brc1noc(Cc2ccccc2)n1 ZINC000095098292 188319167 /nfs/dbraw/zinc/31/91/67/188319167.db2.gz GVHVZTQUDZUSPB-UHFFFAOYSA-N 0 0 239.072 2.423 50 0 BEAARN O=c1cc([O-])c2sc3ccccc3c2[nH]1 ZINC000043191105 188325129 /nfs/dbraw/zinc/32/51/29/188325129.db2.gz LKZZYKSQYDWOPN-UHFFFAOYSA-N 0 0 217.249 2.426 50 0 BEAARN CC(=O)OC1CCCC(OC(C)=O)CCC1 ZINC000044082529 188326605 /nfs/dbraw/zinc/32/66/05/188326605.db2.gz ZLURCGJMGFWZOJ-UHFFFAOYSA-N 0 0 228.288 2.204 50 0 BEAARN CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000048302053 188327448 /nfs/dbraw/zinc/32/74/48/188327448.db2.gz JBFAQRBRZBMFKY-UHFFFAOYSA-N 0 0 217.190 2.342 50 0 BEAARN CC(=O)N1CCN=C1SCc1cccc(C)c1 ZINC000004120172 188332369 /nfs/dbraw/zinc/33/23/69/188332369.db2.gz CSBFBUJVGKVXGL-UHFFFAOYSA-N 0 0 248.351 2.446 50 0 BEAARN C=CN1C(=O)N(C=C)[C@](C)(CC(C)C)C1=O ZINC000000393676 188334547 /nfs/dbraw/zinc/33/45/47/188334547.db2.gz FWJWJADYKLHVOE-GFCCVEGCSA-N 0 0 222.288 2.342 50 0 BEAARN CC(C)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000000577342 188334723 /nfs/dbraw/zinc/33/47/23/188334723.db2.gz NWZKMJXYDJFEBM-UHFFFAOYSA-N 0 0 247.747 2.274 50 0 BEAARN CC(=O)Oc1cc(-c2ccccc2)nn1C ZINC000001394996 188335189 /nfs/dbraw/zinc/33/51/89/188335189.db2.gz UENOERSKQFFKNB-UHFFFAOYSA-N 0 0 216.240 2.012 50 0 BEAARN CC(C)[C@@H]1C[C@]([NH3+])(C(=O)[O-])c2ccccc21 ZINC000170091519 188338945 /nfs/dbraw/zinc/33/89/45/188338945.db2.gz GKXUZTINRJOQLC-GXFFZTMASA-N 0 0 219.284 2.069 50 0 BEAARN CC(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053641631 188343022 /nfs/dbraw/zinc/34/30/22/188343022.db2.gz QGNMSFNLHNDRCY-KWQFWETISA-N 0 0 207.273 2.381 50 0 BEAARN CC(=O)OCc1cc(=O)oc2cc(C)cc(C)c12 ZINC000057312226 188355446 /nfs/dbraw/zinc/35/54/46/188355446.db2.gz IRLRUVSYYHJZRL-UHFFFAOYSA-N 0 0 246.262 2.473 50 0 BEAARN Cc1cccc2[nH]c(C(=O)NC3CC3)cc21 ZINC000032856006 188358578 /nfs/dbraw/zinc/35/85/78/188358578.db2.gz QRDPKORSUAHGCV-UHFFFAOYSA-N 0 0 214.268 2.369 50 0 BEAARN C/C=C/C=C\c1nc(-c2cnccn2)no1 ZINC000096298336 188365021 /nfs/dbraw/zinc/36/50/21/188365021.db2.gz AVLWSLGDILWARE-IAROGAJJSA-N 0 0 214.228 2.116 50 0 BEAARN CC(C)Cn1cc(N[C@@H]2CCSC2)cn1 ZINC000097038665 188366413 /nfs/dbraw/zinc/36/64/13/188366413.db2.gz URUWLMPTBMWGJG-SNVBAGLBSA-N 0 0 225.361 2.457 50 0 BEAARN Cc1ccc(NC(N)=O)cc1OC(C)C ZINC000278733768 188382316 /nfs/dbraw/zinc/38/23/16/188382316.db2.gz SRVMDIFDORXWQK-UHFFFAOYSA-N 0 0 208.261 2.273 50 0 BEAARN Fc1ccc(-c2nnc(NC3=NCCC3)o2)cc1 ZINC000002505829 180959595 /nfs/dbraw/zinc/95/95/95/180959595.db2.gz BXKCGVNKXGMUFZ-UHFFFAOYSA-N 0 0 246.245 2.480 50 0 BEAARN Cc1c(CN2CCC[C@](C)(F)C2)cnn1C ZINC000295602397 188393342 /nfs/dbraw/zinc/39/33/42/188393342.db2.gz CZAUZZZQJNTZKM-LBPRGKRZSA-N 0 0 225.311 2.053 50 0 BEAARN Fc1ccc(NCc2cnccn2)cc1F ZINC000054765491 180978928 /nfs/dbraw/zinc/97/89/28/180978928.db2.gz GTNUQNKUORZKKZ-UHFFFAOYSA-N 0 0 221.210 2.367 50 0 BEAARN Cc1cc(C(=O)NCCc2ccsc2)no1 ZINC000046242990 353584712 /nfs/dbraw/zinc/58/47/12/353584712.db2.gz QJDHKPDESUAHRQ-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN Cc1ccc(CC(=O)N2CCCC2)cc1C ZINC000016648709 353555065 /nfs/dbraw/zinc/55/50/65/353555065.db2.gz SKZKLFLTECCZOP-UHFFFAOYSA-N 0 0 217.312 2.468 50 0 BEAARN Fc1ccccc1Nc1ncnc2n[nH]cc21 ZINC000011856414 181014193 /nfs/dbraw/zinc/01/41/93/181014193.db2.gz MEYYGZBRFGDWPZ-UHFFFAOYSA-N 0 0 229.218 2.236 50 0 in-vitro BEAARN Fc1ccccc1-c1nnnn1-c1ccccc1 ZINC000000409010 181008823 /nfs/dbraw/zinc/00/88/23/181008823.db2.gz CYIFGHWIKUERMM-UHFFFAOYSA-N 0 0 240.241 2.468 50 0 BEAARN Fc1ccccc1CN1CCSCC1 ZINC000004990323 181011237 /nfs/dbraw/zinc/01/12/37/181011237.db2.gz WLCOCKBYLLQKFB-UHFFFAOYSA-N 0 0 211.305 2.375 50 0 BEAARN Fc1cnc2[nH]c(-c3cccnc3)nc2c1 ZINC000071257670 181019725 /nfs/dbraw/zinc/01/97/25/181019725.db2.gz FZOLCQUGYHURPG-UHFFFAOYSA-N 0 0 214.203 2.159 50 0 BEAARN Ic1n[nH]c2ccccc12 ZINC000014909873 181022587 /nfs/dbraw/zinc/02/25/87/181022587.db2.gz UDKYMMQGPNFWDA-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN O=C(NC[C@@H]1CCCC1(F)F)c1cc[nH]c1 ZINC000334527587 353901747 /nfs/dbraw/zinc/90/17/47/353901747.db2.gz GXFZJJUNMRUEDD-VIFPVBQESA-N 0 0 228.242 2.180 50 0 BEAARN COC[C@H](C)Nc1ncnc2ccsc21 ZINC000037375086 363294118 /nfs/dbraw/zinc/29/41/18/363294118.db2.gz HQWNKGUTBLKZTM-ZETCQYMHSA-N 0 0 223.301 2.138 50 0 BEAARN O=C(NCc1ccco1)[C@@H]1CCC(F)(F)C1 ZINC000334699556 354491959 /nfs/dbraw/zinc/49/19/59/354491959.db2.gz FDZFODSHYMQSJS-MRVPVSSYSA-N 0 0 229.226 2.331 50 0 BEAARN CCC[C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000032668079 354493015 /nfs/dbraw/zinc/49/30/15/354493015.db2.gz MKKREYTWDYEBFD-DCAQKATOSA-N 0 0 213.321 2.058 50 0 BEAARN O=C(c1cncn1-c1ccccc1)N1CCCC1 ZINC000032718832 354521508 /nfs/dbraw/zinc/52/15/08/354521508.db2.gz VOAGLHGOEPXSQK-UHFFFAOYSA-N 0 0 241.294 2.108 50 0 BEAARN C[C@@H](N(C)C(=O)[C@H]1CCCO1)C(C)(C)C ZINC000032788082 354580636 /nfs/dbraw/zinc/58/06/36/354580636.db2.gz UOAHSSYILILMGF-NXEZZACHSA-N 0 0 213.321 2.058 50 0 BEAARN O=C(NCC1CC1)N[C@@H]1CCc2ccccc21 ZINC000032909456 354596420 /nfs/dbraw/zinc/59/64/20/354596420.db2.gz BOLNATMITDWSSH-CYBMUJFWSA-N 0 0 230.311 2.383 50 0 BEAARN Cc1ccc(F)cc1NC(=O)c1cnn(C)c1 ZINC000014795338 354794582 /nfs/dbraw/zinc/79/45/82/354794582.db2.gz QHOYOGIITKONKD-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN CCc1nc(CN[C@H]2CCCC2(C)C)no1 ZINC000191292406 355384066 /nfs/dbraw/zinc/38/40/66/355384066.db2.gz NRZPHFNOKDAFII-VIFPVBQESA-N 0 0 223.320 2.300 50 0 BEAARN COc1cc(C)c(NC(=O)C2CC2)cc1F ZINC000335875419 355644307 /nfs/dbraw/zinc/64/43/07/355644307.db2.gz HJEIFHJVKHPDLK-UHFFFAOYSA-N 0 0 223.247 2.491 50 0 BEAARN CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccn1 ZINC000047576748 355770420 /nfs/dbraw/zinc/77/04/20/355770420.db2.gz VNVNGBCISLEPMA-ZJUUUORDSA-N 0 0 221.304 2.240 50 0 BEAARN COC(=O)[C@@H](C)Oc1c(C)cccc1C ZINC000001460023 355770476 /nfs/dbraw/zinc/77/04/76/355770476.db2.gz VXICFPBHOUXFRD-SNVBAGLBSA-N 0 0 208.257 2.244 50 0 BEAARN Cc1cccc(OC[C@@H]2CCCOC2)n1 ZINC000336037013 134060275 /nfs/dbraw/zinc/06/02/75/134060275.db2.gz LSYKTESFNOEUPQ-LLVKDONJSA-N 0 0 207.273 2.195 50 0 BEAARN NC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000016890225 181215793 /nfs/dbraw/zinc/21/57/93/181215793.db2.gz LQYHESAKMBJJDC-UHFFFAOYSA-N 0 0 207.248 2.123 50 0 BEAARN NC(=O)Cc1ccc(C(=O)c2ccccc2)s1 ZINC000001400970 181246451 /nfs/dbraw/zinc/24/64/51/181246451.db2.gz JMFLTSIPMSNZOD-UHFFFAOYSA-N 0 0 245.303 2.007 50 0 BEAARN Cc1cc(CN(C)C(=O)CC(C)(C)C)no1 ZINC000047665446 356093983 /nfs/dbraw/zinc/09/39/83/356093983.db2.gz WSFYAHHGXDJJOY-UHFFFAOYSA-N 0 0 224.304 2.378 50 0 BEAARN NC(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000406673 181255975 /nfs/dbraw/zinc/25/59/75/181255975.db2.gz XUAFMVHJOMIVRA-UHFFFAOYSA-N 0 0 248.069 2.194 50 0 BEAARN NC(=O)NOCc1ccc(Cl)cc1Cl ZINC000002508421 181260568 /nfs/dbraw/zinc/26/05/68/181260568.db2.gz GSJSHZIERDWXEO-UHFFFAOYSA-N 0 0 235.070 2.093 50 0 BEAARN NC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000336610101 181261925 /nfs/dbraw/zinc/26/19/25/181261925.db2.gz ZFSPBBFFEMXAGV-KOLCDFICSA-N 0 0 222.263 2.130 50 0 BEAARN NC(=O)Nc1cccc(Cl)c1Cl ZINC000000395173 181262761 /nfs/dbraw/zinc/26/27/61/181262761.db2.gz PEZPHMOCGURMEM-UHFFFAOYSA-N 0 0 205.044 2.484 50 0 BEAARN NC(=O)Nc1ccc(Br)cc1F ZINC000019385315 181262935 /nfs/dbraw/zinc/26/29/35/181262935.db2.gz NHZMOOFQCDDNAJ-UHFFFAOYSA-N 0 0 233.040 2.079 50 0 BEAARN C[C@@H]1C[C@@H](C(=O)NC/C=C\CO)CC(C)(C)C1 ZINC000617685861 356284806 /nfs/dbraw/zinc/28/48/06/356284806.db2.gz YIEBOWHJHHBGIG-XLMCQVRKSA-N 0 0 239.359 2.114 50 0 BEAARN NC(=O)[C@@H](NCc1cccs1)c1ccccc1 ZINC000026219054 181264448 /nfs/dbraw/zinc/26/44/48/181264448.db2.gz CLNALQRJQUMKJP-LBPRGKRZSA-N 0 0 246.335 2.064 50 0 BEAARN CS[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000047895775 356337388 /nfs/dbraw/zinc/33/73/88/356337388.db2.gz DZPKIGKPAISSRY-QMMMGPOBSA-N 0 0 238.312 2.086 50 0 BEAARN C/C=C/C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000002167673 356365161 /nfs/dbraw/zinc/36/51/61/356365161.db2.gz LPMSSCKIZZCXSJ-HWKANZROSA-N 0 0 233.267 2.378 50 0 BEAARN O=S1(=O)C[C@]23C=CC=C[C@@]2(C1)CCCCC3 ZINC000045027800 356372228 /nfs/dbraw/zinc/37/22/28/356372228.db2.gz IUOPYAZMCGLGBR-BETUJISGSA-N 0 0 238.352 2.478 50 0 BEAARN NC(=O)[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000022996751 181271253 /nfs/dbraw/zinc/27/12/53/181271253.db2.gz HRDWQNMTNONJGW-SECBINFHSA-N 0 0 232.258 2.212 50 0 BEAARN c1nc2ncnc(NC[C@@H]3CC=CCC3)c2[nH]1 ZINC000049281696 356411011 /nfs/dbraw/zinc/41/10/11/356411011.db2.gz LJNUPNKKQIXIRQ-SECBINFHSA-N 0 0 229.287 2.121 50 0 BEAARN NC(=S)NN=Cc1ccc(Cl)cc1Cl ZINC000006132421 356440491 /nfs/dbraw/zinc/44/04/91/356440491.db2.gz RGHAHEATEPYSTR-UHFFFAOYSA-N 0 0 248.138 2.161 50 0 BEAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccncc1 ZINC000030797131 356466876 /nfs/dbraw/zinc/46/68/76/356466876.db2.gz NIJLRJBNANHBLU-LLVKDONJSA-N 0 0 241.294 2.100 50 0 BEAARN NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089873178 181284605 /nfs/dbraw/zinc/28/46/05/181284605.db2.gz ZPEWUQAIHOXBNF-OLZOCXBDSA-N 0 0 211.264 2.429 50 0 BEAARN NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000072406706 181284513 /nfs/dbraw/zinc/28/45/13/181284513.db2.gz CHBQGFRKOKEJCF-BDAKNGLRSA-N 0 0 229.201 2.294 50 0 BEAARN CSc1nnc(-c2ccc(N)cc2)o1 ZINC000039932743 363525050 /nfs/dbraw/zinc/52/50/50/363525050.db2.gz ZGPRLHRLIIDGSF-UHFFFAOYSA-N 0 0 207.258 2.041 50 0 BEAARN CCN(CC)C(=O)c1ccc(Cl)o1 ZINC000032726929 363554251 /nfs/dbraw/zinc/55/42/51/363554251.db2.gz OCWJRPZKSYADOE-UHFFFAOYSA-N 0 0 201.653 2.415 50 0 BEAARN NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000089807235 181288775 /nfs/dbraw/zinc/28/87/75/181288775.db2.gz MXYMNYMEEVIJPH-UHFFFAOYSA-N 0 0 230.242 2.350 50 0 BEAARN COC(=O)[C@@H]1O[C@]12C[C@H](C)CC(C)(C)C2 ZINC000084324276 538531000 /nfs/dbraw/zinc/53/10/00/538531000.db2.gz XTLCHVQRGWXTST-PTRXPTGYSA-N 0 0 212.289 2.143 50 0 BEAARN COC(=O)[C@]1(C)O[C@]1(C)C1CCCCC1 ZINC000085657943 538543794 /nfs/dbraw/zinc/54/37/94/538543794.db2.gz ODUQUFFHYSBQIT-NEPJUHHUSA-N 0 0 212.289 2.287 50 0 BEAARN COC(=O)[C@@H]1O[C@@]1(C)c1ccccc1Cl ZINC000085657568 538545173 /nfs/dbraw/zinc/54/51/73/538545173.db2.gz JOIFRFLAWONKLV-ONGXEEELSA-N 0 0 226.659 2.127 50 0 BEAARN COC(=O)[C@]1(C)O[C@]1(C)c1ccc(C)s1 ZINC000085657908 538545262 /nfs/dbraw/zinc/54/52/62/538545262.db2.gz KYRMNCDKAOXDCD-MNOVXSKESA-N 0 0 226.297 2.234 50 0 BEAARN Cc1ccc([C@H]2NC(=O)[C@H]3CCCCN32)nc1 ZINC000095966447 538609248 /nfs/dbraw/zinc/60/92/48/538609248.db2.gz NEZLRIUTSISDMU-NEPJUHHUSA-N 0 0 231.299 2.213 50 0 BEAARN CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000095394057 538605033 /nfs/dbraw/zinc/60/50/33/538605033.db2.gz ZSTLEZNHZHWPHT-LBPRGKRZSA-N 0 0 207.248 2.413 50 0 BEAARN c1cc(N[C@H]2CCCOC2)cc2c1COC2 ZINC000095991738 538613584 /nfs/dbraw/zinc/61/35/84/538613584.db2.gz LXPNAESJZPNIOX-ZDUSSCGKSA-N 0 0 219.284 2.308 50 0 BEAARN Cn1nc(C2CCC2)cc1NC1CC[NH+](C)CC1 ZINC000095991626 538613822 /nfs/dbraw/zinc/61/38/22/538613822.db2.gz XRFIAXUDHHKJDD-UHFFFAOYSA-N 0 0 248.374 2.194 50 0 BEAARN Cc1ccc(CN2C(=O)[C@H]3CCC[C@@H]3C2=O)cc1 ZINC000095945463 538614207 /nfs/dbraw/zinc/61/42/07/538614207.db2.gz UDLOEPVMFDYUQX-STQMWFEESA-N 0 0 243.306 2.280 50 0 BEAARN NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000263623309 181288877 /nfs/dbraw/zinc/28/88/77/181288877.db2.gz GKKHOLVOFDWCIN-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN Cn1ccc2c1cccc2C(=O)O[C@H]1CCOC1 ZINC000098013023 538711408 /nfs/dbraw/zinc/71/14/08/538711408.db2.gz ZQHPLXFXOAVDRH-JTQLQIEISA-N 0 0 245.278 2.124 50 0 BEAARN Cc1nsc(NC(=O)C2(C)CCCC2)n1 ZINC000098015954 538717331 /nfs/dbraw/zinc/71/73/31/538717331.db2.gz HTQMWXGHDHXBFB-UHFFFAOYSA-N 0 0 225.317 2.365 50 0 BEAARN C/C=C\CN1CCN(c2ccccc2O)CC1 ZINC000098054123 538720097 /nfs/dbraw/zinc/72/00/97/538720097.db2.gz FIADRQFSSILTKR-IHWYPQMZSA-N 0 0 232.327 2.090 50 0 BEAARN c1nnc2n1CCCc1c3ccccc3[nH]c1-2 ZINC000075250654 356913354 /nfs/dbraw/zinc/91/33/54/356913354.db2.gz FQNOZORRIWPMHV-UHFFFAOYSA-N 0 0 224.267 2.373 50 0 BEAARN CCOc1cnc(Br)c(OC)c1 ZINC000075251198 356914074 /nfs/dbraw/zinc/91/40/74/356914074.db2.gz XLNFFHBKQIHEOT-UHFFFAOYSA-N 0 0 232.077 2.251 50 0 BEAARN C[C@H]1CCc2c(=O)c3ccccc3n(C)c2O1 ZINC000075253920 356916116 /nfs/dbraw/zinc/91/61/16/356916116.db2.gz DFHFTHHJFWKLBP-VIFPVBQESA-N 0 0 229.279 2.252 50 0 BEAARN NC(=O)c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000039712964 181289264 /nfs/dbraw/zinc/28/92/64/181289264.db2.gz CRDDYHINQOQMQK-UHFFFAOYSA-N 0 0 239.580 2.338 50 0 BEAARN CCC[C@@]1(c2ccncc2)C[C@H](C)OC1=O ZINC000075260248 356926878 /nfs/dbraw/zinc/92/68/78/356926878.db2.gz IJCMIHWUFOLHMV-GWCFXTLKSA-N 0 0 219.284 2.455 50 0 BEAARN Cn1c2ccccc2c2c(c1=O)CC(C)(C)O2 ZINC000075279592 356938609 /nfs/dbraw/zinc/93/86/09/356938609.db2.gz AKYAIAYVGYIAFW-UHFFFAOYSA-N 0 0 229.279 2.252 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1C ZINC000013024114 538785461 /nfs/dbraw/zinc/78/54/61/538785461.db2.gz SCCZZHWSMQEVST-BDAKNGLRSA-N 0 0 235.331 2.312 50 0 BEAARN CNc1cccc(C(=O)Nc2ccncc2)c1 ZINC000258804444 538797695 /nfs/dbraw/zinc/79/76/95/538797695.db2.gz WJJISHJONODBAR-UHFFFAOYSA-N 0 0 227.267 2.376 50 0 BEAARN Cc1ccc(CC(=O)n2cccn2)cc1 ZINC000013736820 538813727 /nfs/dbraw/zinc/81/37/27/538813727.db2.gz MJMKIBBZZBZKHP-UHFFFAOYSA-N 0 0 200.241 2.074 50 0 BEAARN CCc1cccc2c(CC(=O)OC)cc(=O)[nH]c12 ZINC000260906949 538854429 /nfs/dbraw/zinc/85/44/29/538854429.db2.gz YMSMHZWJZZGGAO-UHFFFAOYSA-N 0 0 245.278 2.218 50 0 BEAARN CNC(=O)c1ccc2c(c1)c(C)c(C)n2C ZINC000015732214 538877157 /nfs/dbraw/zinc/87/71/57/538877157.db2.gz CVKQZOKGTUWHEB-UHFFFAOYSA-N 0 0 216.284 2.155 50 0 BEAARN CC(C)=CCn1ncc(N2CCCCC2)cc1=O ZINC000020536182 535371709 /nfs/dbraw/zinc/37/17/09/535371709.db2.gz PJLOUUWVVYQKKS-UHFFFAOYSA-N 0 0 247.342 2.200 50 0 BEAARN Cc1ccc(NC(=O)N[C@H](C)CO)cc1Cl ZINC000012977867 357964706 /nfs/dbraw/zinc/96/47/06/357964706.db2.gz MRULZNDXFZPVKK-MRVPVSSYSA-N 0 0 242.706 2.151 50 0 BEAARN CCC(=O)Nc1cc(F)c2[nH]c(=O)ccc2c1 ZINC000035514392 357991201 /nfs/dbraw/zinc/99/12/01/357991201.db2.gz FSTMGFBBRGBYNV-UHFFFAOYSA-N 0 0 234.230 2.016 50 0 BEAARN CCCn1nnnc1NC/C=C\c1ccccc1 ZINC000035540342 357994295 /nfs/dbraw/zinc/99/42/95/357994295.db2.gz TVPJTOMXWDNNQU-TWGQIWQCSA-N 0 0 243.314 2.208 50 0 BEAARN C[C@@H](CO)Nc1ncc(Cl)cc1Cl ZINC000035606974 358005246 /nfs/dbraw/zinc/00/52/46/358005246.db2.gz JOIQREIDEWIFHN-YFKPBYRVSA-N 0 0 221.087 2.181 50 0 BEAARN Cc1oc(C)c(C(=O)NC2=NCCS2)c1C ZINC000012989970 358027975 /nfs/dbraw/zinc/02/79/75/358027975.db2.gz MIGSOHXVIKVSNX-UHFFFAOYSA-N 0 0 238.312 2.037 50 0 BEAARN NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000012906734 181294319 /nfs/dbraw/zinc/29/43/19/181294319.db2.gz CGBVJMMBUJDLPH-UHFFFAOYSA-N 0 0 240.262 2.038 50 0 BEAARN O=C(CCc1ccccn1)NCc1ccccc1 ZINC000049471705 358076361 /nfs/dbraw/zinc/07/63/61/358076361.db2.gz QYTRRLICGKOKDU-UHFFFAOYSA-N 0 0 240.306 2.331 50 0 BEAARN COC(=O)N1CC(Cl)(c2ccccc2)C1 ZINC000075278738 358099822 /nfs/dbraw/zinc/09/98/22/358099822.db2.gz RYECVDYLHNXEMN-UHFFFAOYSA-N 0 0 225.675 2.203 50 0 BEAARN Cc1cccc(NC=C2C[C@@H](C)OC2=O)n1 ZINC000075286404 358100180 /nfs/dbraw/zinc/10/01/80/358100180.db2.gz MONSXXXKUNCVOP-YIXGCBLDSA-N 0 0 218.256 2.021 50 0 BEAARN C[C@@H](C(=O)N[C@H]1CC=CCC1)C(F)(F)F ZINC000080382517 358112994 /nfs/dbraw/zinc/11/29/94/358112994.db2.gz LAIBLDWERGDKBW-YUMQZZPRSA-N 0 0 221.222 2.410 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1cccc(OC)c1 ZINC000013008572 358148312 /nfs/dbraw/zinc/14/83/12/358148312.db2.gz NTHDDZUJEPQVCE-SNVBAGLBSA-N 0 0 221.300 2.152 50 0 BEAARN NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000002527766 181297872 /nfs/dbraw/zinc/29/78/72/181297872.db2.gz MRURROGSGQQKOB-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN CC(C)(C)C(=O)CS(=O)(=O)c1ccccc1 ZINC000000395146 358742430 /nfs/dbraw/zinc/74/24/30/358742430.db2.gz KEXNSQSTQQRAOM-UHFFFAOYSA-N 0 0 240.324 2.076 50 0 BEAARN C[C@H](NC(N)=O)c1c(F)cccc1Cl ZINC000176924093 134294736 /nfs/dbraw/zinc/29/47/36/134294736.db2.gz UJZVPHHTNZHIDU-YFKPBYRVSA-N 0 0 216.643 2.208 50 0 BEAARN CCC(=O)O[C@@]1(c2ccccc2)C[N@H+](C)C[C@H]1C ZINC000256017007 359341182 /nfs/dbraw/zinc/34/11/82/359341182.db2.gz ZYPZDVCEBCVJGX-DOMZBBRYSA-N 0 0 247.338 2.417 50 0 BEAARN C[C@@H]1CN(Cc2ccon2)C[C@H](C)S1 ZINC000089937102 360049132 /nfs/dbraw/zinc/04/91/32/360049132.db2.gz NLYZUGFAXNYEPE-DTORHVGOSA-N 0 0 212.318 2.000 50 0 BEAARN Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C)c(C)c1 ZINC000089612087 360031466 /nfs/dbraw/zinc/03/14/66/360031466.db2.gz HEFOIPFXMMPPML-ZDUSSCGKSA-N 0 0 246.354 2.080 50 0 BEAARN CC(C)CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000063010235 360004243 /nfs/dbraw/zinc/00/42/43/360004243.db2.gz JPBAPQSROVDLSY-UHFFFAOYSA-N 0 0 231.217 2.490 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@]12CC[C@H](O)C2 ZINC000306538446 360400913 /nfs/dbraw/zinc/40/09/13/360400913.db2.gz MKWIKFJAUQCTMU-GWCFXTLKSA-N 0 0 241.331 2.301 50 0 BEAARN CC(C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000005440536 360490292 /nfs/dbraw/zinc/49/02/92/360490292.db2.gz IDACVANGECPYCJ-UHFFFAOYSA-N 0 0 246.310 2.408 50 0 BEAARN CC(C)CNC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163083 360458555 /nfs/dbraw/zinc/45/85/55/360458555.db2.gz KNAVDAFJAANDQL-UHFFFAOYSA-N 0 0 244.294 2.123 50 0 BEAARN CC(N=c1[nH]c2ccccc2o1)=C1CCOC1=O ZINC000006666639 360559221 /nfs/dbraw/zinc/55/92/21/360559221.db2.gz SHJHZVYBFCDMID-CMDGGOBGSA-N 0 0 244.250 2.461 50 0 BEAARN CCCCC(=O)N1C[C@H](C)OCC1(C)C ZINC000036075946 360562844 /nfs/dbraw/zinc/56/28/44/360562844.db2.gz JHSSYUJNQRTNCJ-JTQLQIEISA-N 0 0 213.321 2.203 50 0 BEAARN CC(C)CC(=O)N1C[C@H](C)OCC1(C)C ZINC000036075949 360563077 /nfs/dbraw/zinc/56/30/77/360563077.db2.gz RBTFNODWFDGSIA-JTQLQIEISA-N 0 0 213.321 2.058 50 0 BEAARN O=C(c1ccco1)N(Cc1ccccn1)C1CC1 ZINC000006676488 360571153 /nfs/dbraw/zinc/57/11/53/360571153.db2.gz BGSNPEAANBZDHY-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN C/C=C\c1ccc(OCC(=O)OC)c(OC)c1 ZINC000095908688 219840703 /nfs/dbraw/zinc/84/07/03/219840703.db2.gz ADQWZZPCGOXVIC-PLNGDYQASA-N 0 0 236.267 2.280 50 0 BEAARN NC(=O)c1cccc(C(F)(F)F)c1Cl ZINC000002527754 181302991 /nfs/dbraw/zinc/30/29/91/181302991.db2.gz HHXSRPAINZKJQZ-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN Cc1ccccc1CC(=O)NCc1ccccn1 ZINC000006715725 360648020 /nfs/dbraw/zinc/64/80/20/360648020.db2.gz HAEWUVUXAHEDRR-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000006701990 360625439 /nfs/dbraw/zinc/62/54/39/360625439.db2.gz UNIWAZSGGDSGHO-NSHDSACASA-N 0 0 245.278 2.342 50 0 BEAARN CC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000132872073 219855458 /nfs/dbraw/zinc/85/54/58/219855458.db2.gz YVJBYXQRGOBSSA-UHFFFAOYSA-N 0 0 204.151 2.059 50 0 BEAARN CCn1ccc(C(=O)Nc2ccc(OC)cc2)n1 ZINC000006741870 360708193 /nfs/dbraw/zinc/70/81/93/360708193.db2.gz UIRKGHGSVYHMTJ-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000000084063 181306782 /nfs/dbraw/zinc/30/67/82/181306782.db2.gz WHQXFPVRNWOYRE-UHFFFAOYSA-N 0 0 246.291 2.099 50 0 BEAARN NC(=O)c1cnc(Cl)c2c3ccccc3[nH]c21 ZINC000201410774 181308380 /nfs/dbraw/zinc/30/83/80/181308380.db2.gz VQNXPJGYVJPVIX-UHFFFAOYSA-N 0 0 245.669 2.468 50 0 BEAARN CC(C)(O)c1cc(Br)ccn1 ZINC000071617873 200660487 /nfs/dbraw/zinc/66/04/87/200660487.db2.gz CLVXFESSKJLAAE-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 BEAARN CC(C)CNC(=O)NCc1ccc(F)cc1 ZINC000030985664 200652844 /nfs/dbraw/zinc/65/28/44/200652844.db2.gz GVZVEHAVAJPXCI-UHFFFAOYSA-N 0 0 224.279 2.281 50 0 BEAARN NC(=O)c1ncoc1-c1ccccc1Cl ZINC000000107973 181313670 /nfs/dbraw/zinc/31/36/70/181313670.db2.gz ZRKXUHCSFYWLRX-UHFFFAOYSA-N 0 0 222.631 2.094 50 0 BEAARN NC(=S)COc1cccc(C(F)(F)F)c1 ZINC000002555669 181316313 /nfs/dbraw/zinc/31/63/13/181316313.db2.gz OXPKSHGBXIELIA-UHFFFAOYSA-N 0 0 235.230 2.370 50 0 BEAARN NC(=S)c1c(F)cccc1Br ZINC000075851755 181320377 /nfs/dbraw/zinc/32/03/77/181320377.db2.gz ULSHRLLLFSVWRL-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN NC(=S)c1ccccc1NC(=O)c1ccco1 ZINC000004207091 181321668 /nfs/dbraw/zinc/32/16/68/181321668.db2.gz QVLXKQWKDLDBMU-UHFFFAOYSA-N 0 0 246.291 2.166 50 0 BEAARN c1nc2nccnc2n1CCC1CCC1 ZINC000629385760 361033737 /nfs/dbraw/zinc/03/37/37/361033737.db2.gz CSGHGGBWFCIYTE-UHFFFAOYSA-N 0 0 202.261 2.017 50 0 BEAARN COc1cccc(-c2cnn(C)c2C(C)=O)c1F ZINC000426493290 200990669 /nfs/dbraw/zinc/99/06/69/200990669.db2.gz UZAWZMLWMQBLHT-UHFFFAOYSA-N 0 0 248.257 2.437 50 0 BEAARN Cc1cc(C)nc(-c2ccc3c(c2)OCO3)n1 ZINC000426728257 200997354 /nfs/dbraw/zinc/99/73/54/200997354.db2.gz JKIACCANDHVPDT-UHFFFAOYSA-N 0 0 228.251 2.489 50 0 BEAARN Cn1ccnc1CNc1cccc(F)c1 ZINC000036804466 361492852 /nfs/dbraw/zinc/49/28/52/361492852.db2.gz NOULLBLKPCPWNF-UHFFFAOYSA-N 0 0 205.236 2.171 50 0 BEAARN CN(C)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000007374403 361588775 /nfs/dbraw/zinc/58/87/75/361588775.db2.gz YLXOBRULHDHSPM-BQYQJAHWSA-N 0 0 245.731 2.202 50 0 BEAARN COC(=O)C(C)(C)NCc1ccc(C)s1 ZINC000037085135 361654354 /nfs/dbraw/zinc/65/43/54/361654354.db2.gz YSYKOOJIHCKHES-UHFFFAOYSA-N 0 0 227.329 2.098 50 0 BEAARN Brc1nnc(NCC2CC2)s1 ZINC000081663497 541326311 /nfs/dbraw/zinc/32/63/11/541326311.db2.gz HDRGZTULFIOWSE-UHFFFAOYSA-N 0 0 234.122 2.123 50 0 BEAARN CC(C)c1ccc(CN(CC(N)=O)C2CC2)cc1 ZINC000007797309 364365570 /nfs/dbraw/zinc/36/55/70/364365570.db2.gz UOXMFTMHVRTCJU-UHFFFAOYSA-N 0 0 246.354 2.260 50 0 BEAARN CC[C@]1(C(=O)OC)OC12CCCCCC2 ZINC000669384149 541437939 /nfs/dbraw/zinc/43/79/39/541437939.db2.gz OVLWISIQKHWEON-GFCCVEGCSA-N 0 0 212.289 2.431 50 0 BEAARN CC(=O)[C@@H]1COc2cc(F)c(F)cc2C1 ZINC000675063334 541464735 /nfs/dbraw/zinc/46/47/35/541464735.db2.gz CIFJZGYSJGKJTN-QMMMGPOBSA-N 0 0 212.195 2.105 50 0 BEAARN CC(=O)[C@@H]1COc2cccc(Cl)c2C1 ZINC000675063760 541465553 /nfs/dbraw/zinc/46/55/53/541465553.db2.gz NTLYGISWPUXWIL-QMMMGPOBSA-N 0 0 210.660 2.480 50 0 BEAARN CCc1ccc2c(CC(N)=O)coc2c1 ZINC000012749794 541485944 /nfs/dbraw/zinc/48/59/44/541485944.db2.gz MOVRFDJYCLUBFV-UHFFFAOYSA-N 0 0 203.241 2.023 50 0 BEAARN Cc1nc2ccc(Cl)cc2cc1C(N)=O ZINC000032865796 541501664 /nfs/dbraw/zinc/50/16/64/541501664.db2.gz BIBSOMAPDHUIFF-UHFFFAOYSA-N 0 0 220.659 2.296 50 0 BEAARN CC(C)(C)NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000052998095 541514020 /nfs/dbraw/zinc/51/40/20/541514020.db2.gz LDYUAGMAPUPROD-GFCCVEGCSA-N 0 0 246.310 2.419 50 0 BEAARN CC(C)c1ccc(/C=C2/NC(=S)NC2=O)cc1 ZINC000012341254 370849846 /nfs/dbraw/zinc/84/98/46/370849846.db2.gz UWDHAFPBOPNIDC-YRNVUSSQSA-N 0 0 246.335 2.155 50 0 BEAARN CC1(C)CCC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC000225484100 370856521 /nfs/dbraw/zinc/85/65/21/370856521.db2.gz NXWAZPKEWQTWKF-AWEZNQCLSA-N 0 0 239.359 2.234 50 0 BEAARN O=C1NC(=O)C(=Cc2ccc(Cl)nc2)S1 ZINC000012406758 370868726 /nfs/dbraw/zinc/86/87/26/370868726.db2.gz LZXOGHXTQAWNBJ-ZZXKWVIFSA-N 0 0 240.671 2.059 50 0 BEAARN COC(OC)[C@@]1(C)CC(=O)c2ccccc2O1 ZINC000138519209 368347064 /nfs/dbraw/zinc/34/70/64/368347064.db2.gz ACKIZJHRBQFYQG-CYBMUJFWSA-N 0 0 236.267 2.029 50 0 BEAARN O=C(N[C@H]1CCCC1=O)OCc1ccccc1 ZINC000166961873 368397061 /nfs/dbraw/zinc/39/70/61/368397061.db2.gz APQISPRKLLFTMY-NSHDSACASA-N 0 0 233.267 2.034 50 0 BEAARN CN(C)c1ccc(-c2cc(CO)ccn2)cc1 ZINC000201224232 368398328 /nfs/dbraw/zinc/39/83/28/368398328.db2.gz BOMOUTRMSQSZHM-UHFFFAOYSA-N 0 0 228.295 2.307 50 0 BEAARN CC(C)(CO)[C@H](O)c1ccccc1Cl ZINC000034077557 368375038 /nfs/dbraw/zinc/37/50/38/368375038.db2.gz QRVPERDYBIBNET-SNVBAGLBSA-N 0 0 214.692 2.392 50 0 BEAARN Cc1csc(C(=O)N(C)CC(F)F)c1 ZINC000141626668 368392622 /nfs/dbraw/zinc/39/26/22/368392622.db2.gz MJRWXCORDMYKSA-UHFFFAOYSA-N 0 0 219.256 2.394 50 0 BEAARN Cc1cc(=O)cc(C(=O)NC2(C(C)(C)C)CC2)o1 ZINC000584888852 369037267 /nfs/dbraw/zinc/03/72/67/369037267.db2.gz AOSGLLPEBKWREG-UHFFFAOYSA-N 0 0 249.310 2.257 50 0 BEAARN Fc1cnccc1NCCCOC1CCCC1 ZINC000584894932 369042390 /nfs/dbraw/zinc/04/23/90/369042390.db2.gz AGLHEDIPFFMIRA-UHFFFAOYSA-N 0 0 238.306 2.404 50 0 BEAARN Cc1ccc2[nH]c3nc(=S)[nH]nc3c2c1 ZINC000017888657 369071370 /nfs/dbraw/zinc/07/13/70/369071370.db2.gz XHUTVLPWUCSQQF-UHFFFAOYSA-N 0 0 216.269 2.477 50 0 BEAARN Cc1ccc(I)cc1CO ZINC000145954853 259537082 /nfs/dbraw/zinc/53/70/82/259537082.db2.gz CIEQOCDUTRABFK-UHFFFAOYSA-N 0 0 248.063 2.092 50 0 BEAARN Cc1cc(CNC(=O)c2ccoc2)c(C)o1 ZINC000074616348 370000455 /nfs/dbraw/zinc/00/04/55/370000455.db2.gz DBEPUIYOMMTZJL-UHFFFAOYSA-N 0 0 219.240 2.419 50 0 BEAARN CC[C@H](C)CC(=O)Nc1ccsc1C(N)=O ZINC000225405513 370549994 /nfs/dbraw/zinc/54/99/94/370549994.db2.gz UPQNAJXRJOULAN-ZETCQYMHSA-N 0 0 240.328 2.222 50 0 BEAARN COC(=O)CN[C@H](C)c1cc(C)sc1C ZINC000020086463 370570217 /nfs/dbraw/zinc/57/02/17/370570217.db2.gz DRNNCTWUXGVOFA-MRVPVSSYSA-N 0 0 227.329 2.189 50 0 BEAARN Cc1nc(SCC(=O)NC(C)C)sc1C ZINC000078876882 371146592 /nfs/dbraw/zinc/14/65/92/371146592.db2.gz MNGUFAXENWQWJE-UHFFFAOYSA-N 0 0 244.385 2.377 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000002511664 181538787 /nfs/dbraw/zinc/53/87/87/181538787.db2.gz GQKLESLYMHWBOP-ZETCQYMHSA-N 0 0 234.082 2.468 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1csc2ccccc12 ZINC000002385849 181538816 /nfs/dbraw/zinc/53/88/16/181538816.db2.gz FGCYUNZSPGBIGH-SECBINFHSA-N 0 0 235.308 2.246 50 0 BEAARN NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000004851947 181531600 /nfs/dbraw/zinc/53/16/00/181531600.db2.gz ZGPSDEFFXLRCAC-UHFFFAOYSA-N 0 0 247.275 2.233 50 0 BEAARN CC/C(C)=C\C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000390834546 371240192 /nfs/dbraw/zinc/24/01/92/371240192.db2.gz BSAOVNWCLYGRRQ-HIJJYWJESA-N 0 0 225.332 2.417 50 0 BEAARN Cc1noc2ncnc(NCc3ccco3)c12 ZINC000020575133 371299319 /nfs/dbraw/zinc/29/93/19/371299319.db2.gz SBGRAKNAAAOCGB-UHFFFAOYSA-N 0 0 230.227 2.131 50 0 BEAARN CC(C)(c1cc(=O)cco1)C(F)(F)F ZINC000095627638 371309814 /nfs/dbraw/zinc/30/98/14/371309814.db2.gz MAXLUKUQVFCNSE-UHFFFAOYSA-N 0 0 206.163 2.480 50 0 BEAARN Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000021955970 181686909 /nfs/dbraw/zinc/68/69/09/181686909.db2.gz YKGHZEOTRPIFLB-UHFFFAOYSA-N 0 0 231.230 2.055 50 0 BEAARN Nc1cc(N)c(Br)cc1Cl ZINC000095217902 181687812 /nfs/dbraw/zinc/68/78/12/181687812.db2.gz XLFAULRHOWFXTG-UHFFFAOYSA-N 0 0 221.485 2.267 50 0 BEAARN Nc1cc(NC(=O)c2ccco2)ccc1F ZINC000020157458 181688735 /nfs/dbraw/zinc/68/87/35/181688735.db2.gz BYDCSPUBWYVHDV-UHFFFAOYSA-N 0 0 220.203 2.253 50 0 BEAARN Nc1ccc(C(=O)c2cccs2)cc1N ZINC000002389557 181703790 /nfs/dbraw/zinc/70/37/90/181703790.db2.gz OVVRQDDFAJNUGP-UHFFFAOYSA-N 0 0 218.281 2.144 50 0 in-vitro BEAARN O=C(c1ncoc1-c1ccco1)N1CCCC1 ZINC000021642009 371468381 /nfs/dbraw/zinc/46/83/81/371468381.db2.gz SAVMGVCSRHYXFW-UHFFFAOYSA-N 0 0 232.239 2.171 50 0 BEAARN O=C(CC1CCCC1)Nc1ncccc1O ZINC000021901766 371503382 /nfs/dbraw/zinc/50/33/82/371503382.db2.gz ZXHFREVEXXOWKS-UHFFFAOYSA-N 0 0 220.272 2.306 50 0 BEAARN Nc1cncc(-c2nc3ccccc3o2)c1 ZINC000010010677 181769296 /nfs/dbraw/zinc/76/92/96/181769296.db2.gz JOGKEHQTKWQOJF-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN Nc1cncc(OCc2ccccc2)c1 ZINC000044185290 181769565 /nfs/dbraw/zinc/76/95/65/181769565.db2.gz RNHYKJJZOLICIZ-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN Cn1cc(Cl)c(C(=O)NC2CCCCC2)n1 ZINC000002487640 371556626 /nfs/dbraw/zinc/55/66/26/371556626.db2.gz WRGUJJZNPRCQIB-UHFFFAOYSA-N 0 0 241.722 2.136 50 0 BEAARN CCc1ncsc1NC(=O)[C@]1(C)C[C@@H]1F ZINC000335102720 371524980 /nfs/dbraw/zinc/52/49/80/371524980.db2.gz IMWYCJSGLXQMNZ-OIBJUYFYSA-N 0 0 228.292 2.392 50 0 BEAARN Nc1ccccc1OCCn1cc(Cl)cn1 ZINC000038053314 181757149 /nfs/dbraw/zinc/75/71/49/181757149.db2.gz XWWBRPAZKPDUNC-UHFFFAOYSA-N 0 0 237.690 2.198 50 0 BEAARN CC(N=O)=C1NC(c2ccccc2)N=C1C ZINC000097054178 371541151 /nfs/dbraw/zinc/54/11/51/371541151.db2.gz QPCVZDZVSYZGIR-PKNBQFBNSA-N 0 0 215.256 2.118 50 0 BEAARN CCCC[C@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000225725150 371570031 /nfs/dbraw/zinc/57/00/31/371570031.db2.gz GCEISURFGCZGHV-RYUDHWBXSA-N 0 0 227.348 2.498 50 0 BEAARN Cc1cc(C)n(CCNC(=O)C2CCCCC2)n1 ZINC000028228756 371581809 /nfs/dbraw/zinc/58/18/09/371581809.db2.gz BFEJEUCRJIYSDH-UHFFFAOYSA-N 0 0 249.358 2.196 50 0 BEAARN Nc1nc(-c2nc3ccccc3[nH]2)cs1 ZINC000000266658 181777658 /nfs/dbraw/zinc/77/76/58/181777658.db2.gz QNFRWSFKMIBEFK-UHFFFAOYSA-N 0 0 216.269 2.269 50 0 BEAARN CCSc1nnc(NC(=O)[C@H]2C[C@@H]2C)s1 ZINC000002648646 371622110 /nfs/dbraw/zinc/62/21/10/371622110.db2.gz BLVUYYRLEVJVSH-WDSKDSINSA-N 0 0 243.357 2.245 50 0 BEAARN Fc1ccc(Nc2ncnc3nc[nH]c32)cc1F ZINC000002719601 371638502 /nfs/dbraw/zinc/63/85/02/371638502.db2.gz BJPBSWVXEOTBEI-UHFFFAOYSA-N 0 0 247.208 2.375 50 0 BEAARN COC[C@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC000002739661 371645277 /nfs/dbraw/zinc/64/52/77/371645277.db2.gz FFGVLDYPDMZYRF-RYUDHWBXSA-N 0 0 235.327 2.331 50 0 BEAARN Nc1snnc1-c1ccccc1Cl ZINC000084392683 181820777 /nfs/dbraw/zinc/82/07/77/181820777.db2.gz HHANUWMJQBWODS-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN CCCCS(=O)(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000230241859 371877154 /nfs/dbraw/zinc/87/71/54/371877154.db2.gz XMBKAALJJLTTAQ-VXGBXAGGSA-N 0 0 245.388 2.381 50 0 BEAARN O=C(COC(=O)c1ccco1)Nc1ccccc1 ZINC000003235131 371925360 /nfs/dbraw/zinc/92/53/60/371925360.db2.gz PUEHEJCTSYCYMF-UHFFFAOYSA-N 0 0 245.234 2.075 50 0 BEAARN CC(C)(C)C(=O)CSc1ncccn1 ZINC000003243519 371926727 /nfs/dbraw/zinc/92/67/27/371926727.db2.gz OPLMNTWYBOOCOW-UHFFFAOYSA-N 0 0 210.302 2.184 50 0 BEAARN O=C(/C=C/c1cccs1)n1cccn1 ZINC000004652500 181845121 /nfs/dbraw/zinc/84/51/21/181845121.db2.gz NKULEHAQFIEXHH-SNAWJCMRSA-N 0 0 204.254 2.298 50 0 BEAARN O=C(/C=C/c1cccs1)OC[C@@H]1CCCO1 ZINC000003411542 181845749 /nfs/dbraw/zinc/84/57/49/181845749.db2.gz LYXPODAIQMTOLT-PORFMDCZSA-N 0 0 238.308 2.484 50 0 BEAARN CC(=O)C/C(C)=C1/c2ccccc2NC1=O ZINC000003624114 372033388 /nfs/dbraw/zinc/03/33/88/372033388.db2.gz LWBZKVRIBUFXHP-WQLSENKSSA-N 0 0 215.252 2.391 50 0 BEAARN O=C1NCCc2c(Cl)ccc(Cl)c21 ZINC000217956520 372034322 /nfs/dbraw/zinc/03/43/22/372034322.db2.gz PWUFZDFHINBNCE-UHFFFAOYSA-N 0 0 216.067 2.279 50 0 BEAARN COc1ncccc1CNC(=O)c1cccs1 ZINC000031319666 372047189 /nfs/dbraw/zinc/04/71/89/372047189.db2.gz WJVSGJQDNNNZNQ-UHFFFAOYSA-N 0 0 248.307 2.082 50 0 BEAARN O=C(/C=C\c1cccc(F)c1)NC1CC1 ZINC000011678305 181849195 /nfs/dbraw/zinc/84/91/95/181849195.db2.gz NCOOUEIQXVWKTO-DAXSKMNVSA-N 0 0 205.232 2.118 50 0 BEAARN O=C(/C=C\c1cccs1)NCc1cccnc1 ZINC000033317231 181850925 /nfs/dbraw/zinc/85/09/25/181850925.db2.gz GGTSBLXHCVWOLX-WAYWQWQTSA-N 0 0 244.319 2.473 50 0 BEAARN CCn1nccc1/C=C(/C)c1ncccn1 ZINC000606441584 372101971 /nfs/dbraw/zinc/10/19/71/372101971.db2.gz SVPMRCNUGMFTSL-KTKRTIGZSA-N 0 0 214.272 2.254 50 0 BEAARN C/C=C\C(=O)NCc1cccnc1OCCCC ZINC000606443619 372103040 /nfs/dbraw/zinc/10/30/40/372103040.db2.gz DDVGDWDLINZEOK-DAXSKMNVSA-N 0 0 248.326 2.453 50 0 BEAARN CC(C)(C)C1=NO[C@@](O)(C(F)(F)F)C1 ZINC000004141878 372151593 /nfs/dbraw/zinc/15/15/93/372151593.db2.gz VOMBRBSMTPDXFK-SSDOTTSWSA-N 0 0 211.183 2.060 50 0 BEAARN CC(C)(C)C1=NO[C@](O)(C(F)(F)F)C1 ZINC000004141877 372151827 /nfs/dbraw/zinc/15/18/27/372151827.db2.gz VOMBRBSMTPDXFK-ZETCQYMHSA-N 0 0 211.183 2.060 50 0 BEAARN CC(C)C[C@H](O)c1cnc(Cl)nc1 ZINC000218801831 372155113 /nfs/dbraw/zinc/15/51/13/372155113.db2.gz MTYRCOQJOGNHQW-QMMMGPOBSA-N 0 0 200.669 2.210 50 0 BEAARN O=C(CC(F)(F)F)NCCc1ccccc1F ZINC000040496687 181880993 /nfs/dbraw/zinc/88/09/93/181880993.db2.gz UIHAMZXGPIJLBQ-UHFFFAOYSA-N 0 0 249.207 2.437 50 0 BEAARN CCCCN1c2ccc(C)cc2C(=O)C1=O ZINC000002845755 168825137 /nfs/dbraw/zinc/82/51/37/168825137.db2.gz FAKYAFZGVFLUIF-UHFFFAOYSA-N 0 0 217.268 2.324 50 0 BEAARN O=C(CC[C@H]1CCCO1)Nc1nccs1 ZINC000040505867 181927087 /nfs/dbraw/zinc/92/70/87/181927087.db2.gz JHPXWMYHOCNKSJ-MRVPVSSYSA-N 0 0 226.301 2.041 50 0 BEAARN O=C(CCc1ccc[nH]1)NCc1ccccc1 ZINC000074682179 181929308 /nfs/dbraw/zinc/92/93/08/181929308.db2.gz KEADIIBCVKTSIM-UHFFFAOYSA-N 0 0 228.295 2.264 50 0 BEAARN Cc1cnn(CCc2n[nH]c(=S)n2C2CC2)c1 ZINC000008511397 372745140 /nfs/dbraw/zinc/74/51/40/372745140.db2.gz ROKZUJAVARRSJQ-UHFFFAOYSA-N 0 0 249.343 2.023 50 0 BEAARN O=C(COCc1ccccc1)Nc1cccnc1 ZINC000040162100 182000244 /nfs/dbraw/zinc/00/02/44/182000244.db2.gz VWMQGZZYVOZXSN-UHFFFAOYSA-N 0 0 242.278 2.237 50 0 BEAARN O=C(COc1ccccc1)Nc1cccnc1 ZINC000000256218 182003208 /nfs/dbraw/zinc/00/32/08/182003208.db2.gz YERVZSCNCUXQAH-UHFFFAOYSA-N 0 0 228.251 2.099 50 0 BEAARN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1CF ZINC000294219325 182012259 /nfs/dbraw/zinc/01/22/59/182012259.db2.gz WCUCEBJTHDWDDX-GHMZBOCLSA-N 0 0 211.280 2.303 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000008803925 372902113 /nfs/dbraw/zinc/90/21/13/372902113.db2.gz GFTSVTFGBUERSC-UHFFFAOYSA-N 0 0 232.283 2.310 50 0 BEAARN O=C(Cc1cc(F)ccc1F)N1CCCC1 ZINC000095403438 182032291 /nfs/dbraw/zinc/03/22/91/182032291.db2.gz WMMWOHPVDCPLMW-UHFFFAOYSA-N 0 0 225.238 2.130 50 0 BEAARN O=C(Cc1ccccc1)c1c(O)cc(O)cc1O ZINC000000058292 182044479 /nfs/dbraw/zinc/04/44/79/182044479.db2.gz SLHBRIIHMDJIBT-UHFFFAOYSA-N 0 0 244.246 2.229 50 0 biogenic BEAARN O=C(Cc1cccc(Cl)c1)NC1CC1 ZINC000067899756 182041330 /nfs/dbraw/zinc/04/13/30/182041330.db2.gz FARCUBBEMDNLOO-UHFFFAOYSA-N 0 0 209.676 2.161 50 0 BEAARN O=C(Cc1cccs1)Nc1ccccn1 ZINC000000363075 182052857 /nfs/dbraw/zinc/05/28/57/182052857.db2.gz WELHRMTUCZNIGI-UHFFFAOYSA-N 0 0 218.281 2.324 50 0 BEAARN COCCn1cnnc1SCc1ccccc1 ZINC000039983308 373079120 /nfs/dbraw/zinc/07/91/20/373079120.db2.gz DRCDFKMNUROEHU-UHFFFAOYSA-N 0 0 249.339 2.217 50 0 BEAARN O=C(COCc1ccccc1)Nc1ccccn1 ZINC000040016163 373088529 /nfs/dbraw/zinc/08/85/29/373088529.db2.gz JCYCFJPKNKNPDM-UHFFFAOYSA-N 0 0 242.278 2.237 50 0 BEAARN COCc1ccccc1CNC(=O)C1CCC1 ZINC000040070355 373101670 /nfs/dbraw/zinc/10/16/70/373101670.db2.gz BWCRBTSUIMQREN-UHFFFAOYSA-N 0 0 233.311 2.249 50 0 BEAARN O=C(Cn1cccn1)NC1CCCCCCC1 ZINC000012984544 182068012 /nfs/dbraw/zinc/06/80/12/182068012.db2.gz RZBJXRRZYAQRFD-UHFFFAOYSA-N 0 0 235.331 2.112 50 0 BEAARN Cn1cccc1C(=O)NCCc1ccc(F)cc1 ZINC000040159515 373112368 /nfs/dbraw/zinc/11/23/68/373112368.db2.gz QGIWTZZQZYSIDQ-UHFFFAOYSA-N 0 0 246.285 2.137 50 0 BEAARN O=C(NC1(c2ccccc2)CCC1)[C@H]1CCCO1 ZINC000040476146 182092567 /nfs/dbraw/zinc/09/25/67/182092567.db2.gz GVBBVBUILDHBFT-CYBMUJFWSA-N 0 0 245.322 2.361 50 0 BEAARN O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCO1 ZINC000012343452 182093645 /nfs/dbraw/zinc/09/36/45/182093645.db2.gz LHSGONWWEAIBEI-RVARXAPGSA-N 0 0 249.354 2.106 50 0 BEAARN O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CCCO1 ZINC000012343453 182093936 /nfs/dbraw/zinc/09/39/36/182093936.db2.gz LHSGONWWEAIBEI-QBBLGZLKSA-N 0 0 249.354 2.106 50 0 BEAARN O=C(NC1CC1)C1(c2ccccc2)CCOCC1 ZINC000016985134 182094960 /nfs/dbraw/zinc/09/49/60/182094960.db2.gz VXKBJWVQJJPLJF-UHFFFAOYSA-N 0 0 245.322 2.013 50 0 BEAARN O=C(NC1CC1)c1ccoc1C(F)(F)F ZINC000289328490 182102235 /nfs/dbraw/zinc/10/22/35/182102235.db2.gz HHHXTYKHOMQKKL-UHFFFAOYSA-N 0 0 219.162 2.191 50 0 BEAARN O=C(NC1CC1)c1nc2ccccc2s1 ZINC000009668632 182102562 /nfs/dbraw/zinc/10/25/62/182102562.db2.gz LYHQWMQCLCJVNF-UHFFFAOYSA-N 0 0 218.281 2.189 50 0 BEAARN O=C(NC1CC1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000071856580 182095887 /nfs/dbraw/zinc/09/58/87/182095887.db2.gz CUVOERRRCCLLFP-NSHDSACASA-N 0 0 248.301 2.487 50 0 BEAARN O=C(NC1CC1)N(Cc1cccc(O)c1)C1CC1 ZINC000042933217 182096525 /nfs/dbraw/zinc/09/65/25/182096525.db2.gz MFQSQQAZFWIBFY-UHFFFAOYSA-N 0 0 246.310 2.229 50 0 BEAARN CCc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000040489758 373317677 /nfs/dbraw/zinc/31/76/77/373317677.db2.gz FHCRDRYCSHKKOK-AOOOYVTPSA-N 0 0 240.372 2.315 50 0 BEAARN O=C(NC1CC1)[C@H]1CCCc2ccccc21 ZINC000012908804 182098528 /nfs/dbraw/zinc/09/85/28/182098528.db2.gz POCAQJPFEIHGGF-ZDUSSCGKSA-N 0 0 215.296 2.385 50 0 BEAARN CN(Cc1ccsc1)C(=O)c1ccccn1 ZINC000040464693 373280500 /nfs/dbraw/zinc/28/05/00/373280500.db2.gz JHXHGACSFFZIHT-UHFFFAOYSA-N 0 0 232.308 2.415 50 0 BEAARN Cc1cc(C)n(CCCNC(=O)C(C)(C)C)n1 ZINC000040460767 373280911 /nfs/dbraw/zinc/28/09/11/373280911.db2.gz QGHRBTROGHGRAR-UHFFFAOYSA-N 0 0 237.347 2.052 50 0 BEAARN O=C(NC1CCCCCCC1)[C@H]1CCCO1 ZINC000000473792 182113929 /nfs/dbraw/zinc/11/39/29/182113929.db2.gz AVRNMKGMAHHPCF-GFCCVEGCSA-N 0 0 225.332 2.395 50 0 BEAARN C[C@H](NC(=O)C[C@H]1C=CCC1)[C@@H]1CCCO1 ZINC000040509088 373376117 /nfs/dbraw/zinc/37/61/17/373376117.db2.gz FNTBMUSIRMAWMP-SRVKXCTJSA-N 0 0 223.316 2.026 50 0 BEAARN O=C(NC1CCCCC1)c1ccc2c(c1)OCO2 ZINC000000030198 182112810 /nfs/dbraw/zinc/11/28/10/182112810.db2.gz WNVWQIZQABPVEP-UHFFFAOYSA-N 0 0 247.294 2.478 50 0 BEAARN O=C(NC1CCCCC1)c1ccc(O)cc1 ZINC000000134821 182113371 /nfs/dbraw/zinc/11/33/71/182113371.db2.gz YEVXGCOKTNQCHD-UHFFFAOYSA-N 0 0 219.284 2.455 50 0 BEAARN CC(C)CCC(=O)NCc1ccnc(N(C)C)c1 ZINC000040512552 373410411 /nfs/dbraw/zinc/41/04/11/373410411.db2.gz KWYSSWNDNSCMSD-UHFFFAOYSA-N 0 0 249.358 2.200 50 0 BEAARN O=C(NC1Cc2ccccc2C1)C1CCC1 ZINC000000171410 182119822 /nfs/dbraw/zinc/11/98/22/182119822.db2.gz XNELPGPTZRKWFR-UHFFFAOYSA-N 0 0 215.296 2.070 50 0 BEAARN CS[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000040523487 373446464 /nfs/dbraw/zinc/44/64/64/373446464.db2.gz DYWKOUKYZVZDDY-ZCFIWIBFSA-N 0 0 230.720 2.425 50 0 BEAARN CN(C)c1cc(C(=O)NCC2CCCC2)ccn1 ZINC000040535517 373460014 /nfs/dbraw/zinc/46/00/14/373460014.db2.gz VYPVXZUPZCXEEZ-UHFFFAOYSA-N 0 0 247.342 2.068 50 0 BEAARN O=C(NCC1CC1)Nc1ccccc1F ZINC000000091224 182138833 /nfs/dbraw/zinc/13/88/33/182138833.db2.gz HLBZUODTAVWMGN-UHFFFAOYSA-N 0 0 208.236 2.357 50 0 BEAARN Cc1ccc(F)cc1NCC(=O)NC(C)C ZINC000009155022 373483579 /nfs/dbraw/zinc/48/35/79/373483579.db2.gz UZCYSJWGZSSAHA-UHFFFAOYSA-N 0 0 224.279 2.071 50 0 BEAARN O=C(NCC1CC(F)(F)C1)c1ccccc1 ZINC000298253236 182135237 /nfs/dbraw/zinc/13/52/37/182135237.db2.gz KYEBWODYEJKPOD-UHFFFAOYSA-N 0 0 225.238 2.462 50 0 BEAARN O=C(NCC1CCC1)NC(C1CC1)C1CC1 ZINC000042328998 182143589 /nfs/dbraw/zinc/14/35/89/182143589.db2.gz DJPADTDMWAZXHN-UHFFFAOYSA-N 0 0 222.332 2.274 50 0 BEAARN O=C(NCC1CC1)c1ccnc(OCC2CC2)c1 ZINC000240002236 182141087 /nfs/dbraw/zinc/14/10/87/182141087.db2.gz PPUBDTAYCWSSAZ-UHFFFAOYSA-N 0 0 246.310 2.010 50 0 BEAARN O=C(NCCC1=CCCCC1)c1cnccn1 ZINC000000433682 182152511 /nfs/dbraw/zinc/15/25/11/182152511.db2.gz RJORQRIFWRVOAW-UHFFFAOYSA-N 0 0 231.299 2.097 50 0 BEAARN CC(C)CSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000009302669 373853357 /nfs/dbraw/zinc/85/33/57/373853357.db2.gz PJQRZAOUYXNMAW-UHFFFAOYSA-N 0 0 238.356 2.397 50 0 BEAARN O=C(NCCSc1ccccc1)NC1CC1 ZINC000032843717 182198394 /nfs/dbraw/zinc/19/83/94/182198394.db2.gz ZCWDNEVDBZGSLN-UHFFFAOYSA-N 0 0 236.340 2.240 50 0 BEAARN O=C(NCCc1c[nH]c2ccccc12)C1CC1 ZINC000001645258 182201799 /nfs/dbraw/zinc/20/17/99/182201799.db2.gz PSCPACQGRRXTCA-UHFFFAOYSA-N 0 0 228.295 2.237 50 0 BEAARN O=C(NCCc1cccc(Cl)c1)NC1CC1 ZINC000032843668 182203635 /nfs/dbraw/zinc/20/36/35/182203635.db2.gz JDGULBIJDGQKCU-UHFFFAOYSA-N 0 0 238.718 2.344 50 0 BEAARN O=C(NCCc1ccccc1)c1cccnc1 ZINC000000029169 182204625 /nfs/dbraw/zinc/20/46/25/182204625.db2.gz IWAOAHRHJXBSFV-UHFFFAOYSA-N 0 0 226.279 2.054 50 0 BEAARN O=C(NCCc1cccnc1)c1ccccc1F ZINC000032348078 182206907 /nfs/dbraw/zinc/20/69/07/182206907.db2.gz HLMAPCQSLIOSDB-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccco1)c1ccccc1F ZINC000017910054 182207344 /nfs/dbraw/zinc/20/73/44/182207344.db2.gz BFGPNJQFSYPKDV-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1ccncc1)c1ccccc1F ZINC000000529238 182209069 /nfs/dbraw/zinc/20/90/69/182209069.db2.gz HQJMILNSKHZGJL-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccncc1)c1ccc(F)cc1 ZINC000004708117 182209257 /nfs/dbraw/zinc/20/92/57/182209257.db2.gz FJXXECFVKVFDKM-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccncc1)c1cccc(F)c1 ZINC000016576864 182209404 /nfs/dbraw/zinc/20/94/04/182209404.db2.gz WNVHKGHUIKDHAI-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NC[C@H](O)c1ccccc1)[C@H]1CC=CCC1 ZINC000032845119 182233674 /nfs/dbraw/zinc/23/36/74/182233674.db2.gz IWEHXKKMCRZEBO-KBPBESRZSA-N 0 0 245.322 2.193 50 0 BEAARN CCOc1ccccc1[C@@H](O)c1nccn1CC ZINC000009421178 374124778 /nfs/dbraw/zinc/12/47/78/374124778.db2.gz DYXWSNLHFCCLMV-CYBMUJFWSA-N 0 0 246.310 2.383 50 0 BEAARN C[C@@H](Nc1ccc2c3c(cccc31)CC2)C(N)=O ZINC000009368013 374106572 /nfs/dbraw/zinc/10/65/72/374106572.db2.gz LLQOXGRGCWNZED-SECBINFHSA-N 0 0 240.306 2.224 50 0 BEAARN CSCCC(=O)N[C@H](C)c1ccccn1 ZINC000070704676 374180688 /nfs/dbraw/zinc/18/06/88/374180688.db2.gz BVYALQRPVWVMQF-SECBINFHSA-N 0 0 224.329 2.012 50 0 BEAARN CCOc1ccc2cc(C(C)=O)c(=O)oc2c1 ZINC000041431499 374139235 /nfs/dbraw/zinc/13/92/35/374139235.db2.gz VIXIYQLXSOECOA-UHFFFAOYSA-N 0 0 232.235 2.394 50 0 BEAARN CCc1nccn1-c1ncnc2ccccc21 ZINC000041495755 374143943 /nfs/dbraw/zinc/14/39/43/374143943.db2.gz HOHRLXXPTMATLI-UHFFFAOYSA-N 0 0 224.267 2.378 50 0 BEAARN c1csc(-c2nc3c4c(ncn3n2)CCC4)c1 ZINC000009576225 374168216 /nfs/dbraw/zinc/16/82/16/374168216.db2.gz XTNPYUKVTFUGRQ-UHFFFAOYSA-N 0 0 242.307 2.342 50 0 BEAARN O=C(NC[C@H]1C[C@@]12CCc1ccccc12)C1CC1 ZINC000087410945 182246830 /nfs/dbraw/zinc/24/68/30/182246830.db2.gz DOGOLEPVQLOIPQ-CJNGLKHVSA-N 0 0 241.334 2.417 50 0 BEAARN O=C(NCc1cccs1)N1CCCC1 ZINC000048644020 182263661 /nfs/dbraw/zinc/26/36/61/182263661.db2.gz BAUUNQAKOJSGCY-UHFFFAOYSA-N 0 0 210.302 2.054 50 0 BEAARN O=C(NCc1cccs1)c1ccccn1 ZINC000012853786 182263900 /nfs/dbraw/zinc/26/39/00/182263900.db2.gz MSOQEUOCQDDHDE-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1cccs1)c1cc(C2CC2)n[nH]1 ZINC000020668211 182264417 /nfs/dbraw/zinc/26/44/17/182264417.db2.gz OWZQWUPQOWJKMR-UHFFFAOYSA-N 0 0 247.323 2.279 50 0 BEAARN O=C(NCc1cccs1)c1ccco1 ZINC000000375559 182264903 /nfs/dbraw/zinc/26/49/03/182264903.db2.gz VPXSLXIREYNLGW-UHFFFAOYSA-N 0 0 207.254 2.271 50 0 BEAARN O=c1c(=S)[nH]ccn1-c1cccc(F)c1 ZINC000009941083 374260926 /nfs/dbraw/zinc/26/09/26/374260926.db2.gz SQEKPEQIWPRWLK-UHFFFAOYSA-N 0 0 222.244 2.034 50 0 BEAARN O=C(NCc1ccccn1)NCC1CCCCC1 ZINC000009219194 182258793 /nfs/dbraw/zinc/25/87/93/182258793.db2.gz NMZAGKHQFNTYHB-UHFFFAOYSA-N 0 0 247.342 2.461 50 0 BEAARN COC(=O)Cc1ccc(NC(=O)CC(C)C)cc1 ZINC000042636986 374278363 /nfs/dbraw/zinc/27/83/63/374278363.db2.gz YMHBGOJBCSFWDJ-UHFFFAOYSA-N 0 0 249.310 2.387 50 0 BEAARN O=C(NCc1ccccn1)c1cccs1 ZINC000000029370 182259794 /nfs/dbraw/zinc/25/97/94/182259794.db2.gz DFWVPPAMSXWCML-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1cccnc1)Nc1ccccc1 ZINC000000395332 182259833 /nfs/dbraw/zinc/25/98/33/182259833.db2.gz DAQORUWIEXJXFU-UHFFFAOYSA-N 0 0 227.267 2.403 50 0 BEAARN Cc1cc(C(=O)N2CCc3sccc3C2)no1 ZINC000042010941 374237917 /nfs/dbraw/zinc/23/79/17/374237917.db2.gz LGZGZNLGIQFGKH-UHFFFAOYSA-N 0 0 248.307 2.243 50 0 BEAARN O=C1C2=C(CCCC2)C(=O)N1Cc1ccccc1 ZINC000009762132 374240533 /nfs/dbraw/zinc/24/05/33/374240533.db2.gz TWXWBXDLOSIXQT-UHFFFAOYSA-N 0 0 241.290 2.426 50 0 BEAARN O=C(NCc1ccco1)c1ccc2[nH]cnc2c1 ZINC000005928471 182262851 /nfs/dbraw/zinc/26/28/51/182262851.db2.gz JVKRVIOPCBEUAT-UHFFFAOYSA-N 0 0 241.250 2.086 50 0 BEAARN O=C(NCc1nccs1)c1ccc(F)cc1 ZINC000040437317 182275127 /nfs/dbraw/zinc/27/51/27/182275127.db2.gz KARCYBOTCHUWEC-UHFFFAOYSA-N 0 0 236.271 2.212 50 0 BEAARN CCOc1ncccc1C(=O)NC1CCCC1 ZINC000010409784 374296567 /nfs/dbraw/zinc/29/65/67/374296567.db2.gz OBQOYGPJQFIVQT-UHFFFAOYSA-N 0 0 234.299 2.153 50 0 BEAARN O=C(NCc1ccsc1)[C@@H]1CC1(F)F ZINC000294665122 182268370 /nfs/dbraw/zinc/26/83/70/182268370.db2.gz ZNRREZLYNXGUIW-ZETCQYMHSA-N 0 0 217.240 2.020 50 0 BEAARN O=C(NCc1ccsc1)c1ccco1 ZINC000013698116 182268938 /nfs/dbraw/zinc/26/89/38/182268938.db2.gz ARRGNHDMJDZLSW-UHFFFAOYSA-N 0 0 207.254 2.271 50 0 BEAARN O=C(NCc1ccsc1)c1ccccn1 ZINC000038586125 182269300 /nfs/dbraw/zinc/26/93/00/182269300.db2.gz YYDXDNMPVUELFT-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000001054243 182300743 /nfs/dbraw/zinc/30/07/43/182300743.db2.gz XVIUKCDSHXKHEU-ZIAGYGMSSA-N 0 0 245.322 2.359 50 0 BEAARN O=C(N[C@@H]1CC[C@@H](F)C1)c1cccc(O)c1 ZINC000336432106 182309184 /nfs/dbraw/zinc/30/91/84/182309184.db2.gz PVVPYSRVMFTSNJ-NXEZZACHSA-N 0 0 223.247 2.013 50 0 BEAARN O=C(N[C@H]1CCCC[C@H]1O)OCc1ccccc1 ZINC000051990191 182329481 /nfs/dbraw/zinc/32/94/81/182329481.db2.gz IDQLGJJPYSFXPM-QWHCGFSZSA-N 0 0 249.310 2.216 50 0 BEAARN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccn[nH]1 ZINC000098013212 182343611 /nfs/dbraw/zinc/34/36/11/182343611.db2.gz BPKXLFHVBLQOGN-PWSUYJOCSA-N 0 0 233.315 2.108 50 0 BEAARN O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000004731628 182350402 /nfs/dbraw/zinc/35/04/02/182350402.db2.gz JUXRPENZZMUHTM-SNVBAGLBSA-N 0 0 227.210 2.082 50 0 BEAARN O=C(Nc1cc[nH]n1)c1ccc2scnc2c1 ZINC000032592865 182350673 /nfs/dbraw/zinc/35/06/73/182350673.db2.gz YHQXYNPGPNWCCN-UHFFFAOYSA-N 0 0 244.279 2.272 50 0 BEAARN O=C(Nc1cc[nH]n1)[C@@H]1C[C@H]1c1ccccc1 ZINC000068440519 182350755 /nfs/dbraw/zinc/35/07/55/182350755.db2.gz FYKXVAXNLRZOPO-WDEREUQCSA-N 0 0 227.267 2.152 50 0 BEAARN O=C(Nc1ccc(F)cc1F)c1ncccn1 ZINC000056906725 182356522 /nfs/dbraw/zinc/35/65/22/182356522.db2.gz BKSQFKVSSMMZLJ-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1cc(Cl)ncn1)c1ccccc1 ZINC000000343501 182348882 /nfs/dbraw/zinc/34/88/82/182348882.db2.gz DVGDEXBOHJQOCT-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc(F)nc1)c1ccc[nH]c1=S ZINC000134985008 182359614 /nfs/dbraw/zinc/35/96/14/182359614.db2.gz DTKLFHIEMNUJRL-UHFFFAOYSA-N 0 0 249.270 2.157 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1ccc(=O)[nH]n1 ZINC000000545835 182368599 /nfs/dbraw/zinc/36/85/99/182368599.db2.gz QPWCNDVZJNWKKW-UHFFFAOYSA-N 0 0 249.657 2.088 50 0 BEAARN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000001054461 182364078 /nfs/dbraw/zinc/36/40/78/182364078.db2.gz OANXXTMLJZRREF-ZDUSSCGKSA-N 0 0 231.295 2.293 50 0 BEAARN O=C(Nc1cccc2ocnc21)c1cccnc1 ZINC000341619592 182374739 /nfs/dbraw/zinc/37/47/39/182374739.db2.gz QOHOEXRJGPOAHS-UHFFFAOYSA-N 0 0 239.234 2.475 50 0 BEAARN O=C(Nc1ccccc1)N[C@H]1CCCC[C@H]1O ZINC000052003264 182375705 /nfs/dbraw/zinc/37/57/05/182375705.db2.gz AUDCZNMODKREEO-NWDGAFQWSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccccc1)N[C@@H]1CCSC1 ZINC000000141571 182376198 /nfs/dbraw/zinc/37/61/98/182376198.db2.gz JFHMWNBDBFNXRA-SNVBAGLBSA-N 0 0 222.313 2.314 50 0 BEAARN O=C(Nc1ccccc1F)c1cccnc1 ZINC000000040531 182379069 /nfs/dbraw/zinc/37/90/69/182379069.db2.gz NFDGKRRKIIFBAB-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccccc1F)c1ccc[nH]1 ZINC000074701556 182379405 /nfs/dbraw/zinc/37/94/05/182379405.db2.gz WZIKDXINSRDYBJ-UHFFFAOYSA-N 0 0 204.204 2.406 50 0 BEAARN O=C(Nc1ccon1)Nc1cccc(F)c1 ZINC000006725755 182370119 /nfs/dbraw/zinc/37/01/19/182370119.db2.gz LUAPJNCUMISPNK-UHFFFAOYSA-N 0 0 221.191 2.458 50 0 BEAARN O=C(Nc1cccc(F)c1)c1ccccn1 ZINC000006638305 182370767 /nfs/dbraw/zinc/37/07/67/182370767.db2.gz ZWVPYRZGMVKYLX-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1cccc(F)c1)c1n[nH]c(C2CC2)n1 ZINC000065466235 182371271 /nfs/dbraw/zinc/37/12/71/182371271.db2.gz YBUKYNAGFPGMCU-UHFFFAOYSA-N 0 0 246.245 2.074 50 0 BEAARN O=C(Nc1cccc(O)c1)c1ccco1 ZINC000000354547 182371718 /nfs/dbraw/zinc/37/17/18/182371718.db2.gz YMMLYZBIXTXDLR-UHFFFAOYSA-N 0 0 203.197 2.238 50 0 BEAARN O=C(Nc1ccsc1)c1cc(F)c[nH]1 ZINC000335761811 182389904 /nfs/dbraw/zinc/38/99/04/182389904.db2.gz KLWUZZXTEWIHPQ-UHFFFAOYSA-N 0 0 210.233 2.468 50 0 BEAARN O=C(Nc1cccnc1)NC1CCCC1 ZINC000024535652 182384319 /nfs/dbraw/zinc/38/43/19/182384319.db2.gz ZEHKBVVHWSLSFE-UHFFFAOYSA-N 0 0 205.261 2.146 50 0 BEAARN O=C(Nc1cccnc1)c1ccnc(Cl)c1 ZINC000000166946 182384821 /nfs/dbraw/zinc/38/48/21/182384821.db2.gz DMQBAIHNPSSPKL-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cccnc1)c1ccccc1O ZINC000000053637 182385072 /nfs/dbraw/zinc/38/50/72/182385072.db2.gz CIDPBVFYISXDHA-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1cccnc1N1CCCC1)C1CCC1 ZINC000047225543 182385491 /nfs/dbraw/zinc/38/54/91/182385491.db2.gz UJXSGLHWKYOWPK-UHFFFAOYSA-N 0 0 245.326 2.420 50 0 BEAARN O=C(Nc1nc2ccccc2[nH]1)c1ccncc1 ZINC000000473768 182398116 /nfs/dbraw/zinc/39/81/16/182398116.db2.gz IBQULOKMIKCTRW-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ncccc1O)[C@H]1CC=CCC1 ZINC000022262961 182399943 /nfs/dbraw/zinc/39/99/43/182399943.db2.gz UTBLDJJIUZEMHS-VIFPVBQESA-N 0 0 218.256 2.082 50 0 BEAARN O=C(Nc1ncc(Cl)s1)[C@@H]1CCCOC1 ZINC000098016458 182399990 /nfs/dbraw/zinc/39/99/90/182399990.db2.gz BAEAUCIGGIJJNI-ZCFIWIBFSA-N 0 0 246.719 2.162 50 0 BEAARN O=C(Nc1nnc2ccccn21)c1ccsc1 ZINC000030692476 182402573 /nfs/dbraw/zinc/40/25/73/182402573.db2.gz FVCZVBFGAJZDHU-UHFFFAOYSA-N 0 0 244.279 2.043 50 0 BEAARN CCCC[NH2+]Cc1ccccc1OCC(=O)[O-] ZINC000062716822 168871584 /nfs/dbraw/zinc/87/15/84/168871584.db2.gz OPVZIAVAQKUELE-UHFFFAOYSA-N 0 0 237.299 2.040 50 0 BEAARN CCOC(=O)CCC(=O)Nc1ccc(F)cc1 ZINC000005869156 170198605 /nfs/dbraw/zinc/19/86/05/170198605.db2.gz RTKNYLDWILXYSZ-UHFFFAOYSA-N 0 0 239.246 2.108 50 0 BEAARN CCCCNc1nn2cnnc2c2ccccc21 ZINC000005712790 168882388 /nfs/dbraw/zinc/88/23/88/168882388.db2.gz RRGYOKXUDUQMQH-UHFFFAOYSA-N 0 0 241.298 2.490 50 0 BEAARN O=C(COC(=O)c1ccc(F)cc1)c1ccc[nH]1 ZINC000005061924 182600714 /nfs/dbraw/zinc/60/07/14/182600714.db2.gz BZFOKQOQPJKVAC-UHFFFAOYSA-N 0 0 247.225 2.194 50 0 BEAARN O=C(O[C@@H]1CCc2cccnc21)c1cscn1 ZINC000195579212 182607875 /nfs/dbraw/zinc/60/78/75/182607875.db2.gz ODIAYZQHCIIEFC-SNVBAGLBSA-N 0 0 246.291 2.382 50 0 BEAARN CCCCOC(=O)n1c2ccccc2oc1=O ZINC000002023672 168886615 /nfs/dbraw/zinc/88/66/15/168886615.db2.gz ISBQVEVEWRCLPP-UHFFFAOYSA-N 0 0 235.239 2.379 50 0 biogenic BEAARN O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1CF ZINC000294153717 182614710 /nfs/dbraw/zinc/61/47/10/182614710.db2.gz RRQCLMVUYWZSAP-GHMZBOCLSA-N 0 0 211.280 2.303 50 0 BEAARN O=C(c1ncc[nH]1)c1ccc(Cl)cc1 ZINC000000164577 182657941 /nfs/dbraw/zinc/65/79/41/182657941.db2.gz DRMOGKAKDDNQDD-UHFFFAOYSA-N 0 0 206.632 2.294 50 0 BEAARN O=C(c1ccc2n[nH]cc2c1)C(F)(F)F ZINC000100197473 182665269 /nfs/dbraw/zinc/66/52/69/182665269.db2.gz UAZVGXXGCZPWGT-UHFFFAOYSA-N 0 0 214.146 2.308 50 0 BEAARN O=C1CCC(=O)c2oc3ccccc3c2N1 ZINC000000051666 182723142 /nfs/dbraw/zinc/72/31/42/182723142.db2.gz YXYAMNCREGTQOU-UHFFFAOYSA-N 0 0 215.208 2.348 50 0 biogenic BEAARN O=c1[nH]c2ccc(C3CCC(=O)CC3)cc2o1 ZINC000033966656 182724853 /nfs/dbraw/zinc/72/48/53/182724853.db2.gz MRPRNATVOPNPOV-UHFFFAOYSA-N 0 0 231.251 2.348 50 0 BEAARN O=C(N[C@@H]1CCC(=O)C1)OCc1ccccc1 ZINC000107268614 182747393 /nfs/dbraw/zinc/74/73/93/182747393.db2.gz KCMRCKOQBAJKAG-LLVKDONJSA-N 0 0 233.267 2.034 50 0 BEAARN O=C1COc2cc(Br)c(F)cc21 ZINC000097439034 182769075 /nfs/dbraw/zinc/76/90/75/182769075.db2.gz CCLBQZQWCFUWOJ-UHFFFAOYSA-N 0 0 231.020 2.163 50 0 BEAARN O=C1CS[C@H](c2ccccc2)N1C1CC1 ZINC000004218183 182772271 /nfs/dbraw/zinc/77/22/71/182772271.db2.gz CAQHDFBDKHDMKL-GFCCVEGCSA-N 0 0 219.309 2.423 50 0 BEAARN O=C1NC2(CCCCC2)C(=O)N1C1CCCC1 ZINC000095473979 182789584 /nfs/dbraw/zinc/78/95/84/182789584.db2.gz UEHJMUKHHURXAV-UHFFFAOYSA-N 0 0 236.315 2.388 50 0 BEAARN O=C1NC(c2ccccc2)=NC1=C(Cl)Cl ZINC000006060955 182795758 /nfs/dbraw/zinc/79/57/58/182795758.db2.gz HDYOLBFMWRONSP-UHFFFAOYSA-N 0 0 241.077 2.210 50 0 BEAARN O=C(c1ccccc1)c1ccc2c(c1)NC(=O)C2 ZINC000022001086 182788547 /nfs/dbraw/zinc/78/85/47/182788547.db2.gz AYJLPUOIDQSOLH-UHFFFAOYSA-N 0 0 237.258 2.412 50 0 BEAARN O=C1NN[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000000083456 182816737 /nfs/dbraw/zinc/81/67/37/182816737.db2.gz KYCUKDBLOYZMRV-KGLIPLIRSA-N 0 0 238.290 2.146 50 0 BEAARN O=C1N[C@H]2[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000045027937 182819490 /nfs/dbraw/zinc/81/94/90/182819490.db2.gz STCNNDWFSZWTKE-QDIHITRGSA-N 0 0 247.297 2.392 50 0 BEAARN O=C1NCCCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000020051238 182798508 /nfs/dbraw/zinc/79/85/08/182798508.db2.gz PCTANNOZLVBRFR-NSHDSACASA-N 0 0 238.718 2.421 50 0 BEAARN O=C1c2ccccc2C(=O)N1c1ccccc1 ZINC000000133969 182844683 /nfs/dbraw/zinc/84/46/83/182844683.db2.gz MFUPLJQNEXUUDW-UHFFFAOYSA-N 0 0 223.231 2.487 50 0 BEAARN CCOC(=O)c1cnc(C)c(Br)c1 ZINC000095635504 170301513 /nfs/dbraw/zinc/30/15/13/170301513.db2.gz AFNPRVLCAREGEN-UHFFFAOYSA-N 0 0 244.088 2.329 50 0 BEAARN O=C1OC(c2ccco2)=N/C1=C\c1ccco1 ZINC000000430270 182826996 /nfs/dbraw/zinc/82/69/96/182826996.db2.gz RWLFUPQCUCDQER-CLFYSBASSA-N 0 0 229.191 2.217 50 0 BEAARN O=Cc1c[nH]c2ncc(Br)cc12 ZINC000014807884 182860984 /nfs/dbraw/zinc/86/09/84/182860984.db2.gz YLZQPOVEHGBMFG-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN O=Cc1cc(Br)ccc1F ZINC000000157202 182861735 /nfs/dbraw/zinc/86/17/35/182861735.db2.gz MMFGGDVQLQQQRX-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 in-vitro BEAARN O=Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000090668979 182866038 /nfs/dbraw/zinc/86/60/38/182866038.db2.gz WLHDCJQRTCXNRP-UHFFFAOYSA-N 0 0 229.235 2.184 50 0 BEAARN O=S1(=O)C=C(Br)c2ccccc21 ZINC000000196687 182906033 /nfs/dbraw/zinc/90/60/33/182906033.db2.gz BWCBGYFBSVPRLL-UHFFFAOYSA-N 0 0 245.097 2.167 50 0 BEAARN O=c1[nH]c(N2CCCC2)cc2ccccc21 ZINC000012983553 182970836 /nfs/dbraw/zinc/97/08/36/182970836.db2.gz YGHVWKFNYLLGEJ-UHFFFAOYSA-N 0 0 214.268 2.128 50 0 in-vitro BEAARN O=c1[nH]ncc(Nc2ccc(F)cc2)c1Cl ZINC000006590165 182983172 /nfs/dbraw/zinc/98/31/72/182983172.db2.gz KCGCMQRKAOFCFZ-UHFFFAOYSA-N 0 0 239.637 2.306 50 0 BEAARN O=c1[nH]ncc(NCc2ccccc2)c1Cl ZINC000000055821 182983306 /nfs/dbraw/zinc/98/33/06/182983306.db2.gz PTDXPSQYDOFAAV-UHFFFAOYSA-N 0 0 235.674 2.035 50 0 BEAARN O=c1c2c(nc3ccc(Cl)cn13)CCCC2 ZINC000055104383 182985549 /nfs/dbraw/zinc/98/55/49/182985549.db2.gz KGYIDGFMHPWEMS-UHFFFAOYSA-N 0 0 234.686 2.227 50 0 BEAARN O=c1cc[nH]c2c(Br)cccc12 ZINC000002564332 182998805 /nfs/dbraw/zinc/99/88/05/182998805.db2.gz HLALMUWUZUGIGR-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN O=c1ccc2c(Br)cccc2[nH]1 ZINC000026474708 183001139 /nfs/dbraw/zinc/00/11/39/183001139.db2.gz XLNXYWXWOLFEOD-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN O=c1oc(C(F)(F)F)nc2ccccc21 ZINC000000500312 183011569 /nfs/dbraw/zinc/01/15/69/183011569.db2.gz GHLXPUXNDMOETG-UHFFFAOYSA-N 0 0 215.130 2.207 50 0 BEAARN O=C1NC(=S)SC1=Cc1ccc[nH]1 ZINC000004110289 183024923 /nfs/dbraw/zinc/02/49/23/183024923.db2.gz RRJVVJRJMYKPGH-GQCTYLIASA-N 0 0 210.283 2.344 50 0 BEAARN OCC12CC3C[C@H](C1)C(F)(F)[C@@H](C3)C2 ZINC000072194352 183039783 /nfs/dbraw/zinc/03/97/83/183039783.db2.gz FUGCZPLJOOCMNN-XWJSGITJSA-N 0 0 202.244 2.440 50 0 BEAARN OCCOc1cc(Cl)ccc1Cl ZINC000019786128 183087994 /nfs/dbraw/zinc/08/79/94/183087994.db2.gz FRWAGDUBVWQRJS-UHFFFAOYSA-N 0 0 207.056 2.365 50 0 BEAARN OCCc1c[nH]c2cc(Br)ccc12 ZINC000071487236 183100222 /nfs/dbraw/zinc/10/02/22/183100222.db2.gz ANIPJGAEJCDVFF-UHFFFAOYSA-N 0 0 240.100 2.465 50 0 BEAARN OCCc1cccc(C(F)(F)F)c1F ZINC000039713003 183100566 /nfs/dbraw/zinc/10/05/66/183100566.db2.gz SFTYBQIPZKIFOA-UHFFFAOYSA-N 0 0 208.154 2.379 50 0 BEAARN CCCCn1c(CNC(C)=O)nc2ccccc21 ZINC000002721254 169034053 /nfs/dbraw/zinc/03/40/53/169034053.db2.gz YKEJLCWOUPKGPY-UHFFFAOYSA-N 0 0 245.326 2.473 50 0 BEAARN CCCCN1C(=S)N=NC1[C@@H](CC)N(C)C ZINC000020267840 169034757 /nfs/dbraw/zinc/03/47/57/169034757.db2.gz BBXXCLXQSSWSIT-SECBINFHSA-N 0 0 242.392 2.380 50 0 BEAARN OCc1c(F)cc(F)cc1Br ZINC000169795922 183160192 /nfs/dbraw/zinc/16/01/92/183160192.db2.gz QROQRUHMWGVTGW-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN OCc1cc(-c2ccc3c(c2)OCCO3)ccn1 ZINC000032547864 183160635 /nfs/dbraw/zinc/16/06/35/183160635.db2.gz ZLIBJAKHMCCZCL-UHFFFAOYSA-N 0 0 243.262 2.012 50 0 BEAARN OCc1cc(Br)ccc1F ZINC000002516784 183160661 /nfs/dbraw/zinc/16/06/61/183160661.db2.gz UOSBHJFKMGLWGX-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN OCc1cc2ccc(Br)cc2[nH]1 ZINC000012505666 183161267 /nfs/dbraw/zinc/16/12/67/183161267.db2.gz CNSVVCNALIWZAK-UHFFFAOYSA-N 0 0 226.073 2.423 50 0 BEAARN OCc1ccc(Br)cc1F ZINC000002512504 183163229 /nfs/dbraw/zinc/16/32/29/183163229.db2.gz BWBJZMQPVBWEJU-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN OCc1ccc(F)c(OC(F)(F)F)c1 ZINC000034593251 183164697 /nfs/dbraw/zinc/16/46/97/183164697.db2.gz MNQTYDARRPIQRK-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN O[C@@H](Nc1nccs1)C(Cl)(Cl)Cl ZINC000001558185 183185180 /nfs/dbraw/zinc/18/51/80/183185180.db2.gz MHDSRPZFJLLBKM-GSVOUGTGSA-N 0 0 247.534 2.244 50 0 BEAARN O[C@@H](Cc1ccccn1)C(Cl)(Cl)Cl ZINC000013227929 183183744 /nfs/dbraw/zinc/18/37/44/183183744.db2.gz FUKQVPBVURQUCG-ZETCQYMHSA-N 0 0 240.517 2.355 50 0 BEAARN OCc1ccc(OCc2ccccc2)cn1 ZINC000036373183 183165940 /nfs/dbraw/zinc/16/59/40/183165940.db2.gz UTGLFQHWXNTFEV-UHFFFAOYSA-N 0 0 215.252 2.153 50 0 BEAARN OCc1ccc(Oc2ccccn2)cc1 ZINC000012370378 183166674 /nfs/dbraw/zinc/16/66/74/183166674.db2.gz ZDTXOQRCIVCMLT-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN OCc1cccc(OCC(F)(F)F)c1 ZINC000020031712 183168322 /nfs/dbraw/zinc/16/83/22/183168322.db2.gz VIVCPZPHCLORGC-UHFFFAOYSA-N 0 0 206.163 2.120 50 0 BEAARN OCc1cnc2cc(Br)ccc2c1 ZINC000261506749 183169218 /nfs/dbraw/zinc/16/92/18/183169218.db2.gz APRMVARQRPSYQL-UHFFFAOYSA-N 0 0 238.084 2.490 50 0 BEAARN OCc1nc(C(F)(F)F)ccc1Cl ZINC000219605197 183170056 /nfs/dbraw/zinc/17/00/56/183170056.db2.gz ZLUGEFVLDHNBSV-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN O[C@@H](c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000042268739 183186744 /nfs/dbraw/zinc/18/67/44/183186744.db2.gz FFYRLQHGYWNWAI-JTQLQIEISA-N 0 0 242.200 2.468 50 0 BEAARN O[C@@H](c1cccnc1)c1cccc(F)c1 ZINC000037464794 183187149 /nfs/dbraw/zinc/18/71/49/183187149.db2.gz OIASQBCUPWJINM-GFCCVEGCSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@@H]1CCc2ccc(Br)cc21 ZINC000003850980 183207194 /nfs/dbraw/zinc/20/71/94/183207194.db2.gz DXVPKKRFBPLRRN-SECBINFHSA-N 0 0 213.074 2.429 50 0 in-vitro BEAARN CCCN(C)Cc1nc(-c2ccc(O)cc2)no1 ZINC000097164371 169081481 /nfs/dbraw/zinc/08/14/81/169081481.db2.gz UILRTMOJPKUAKN-UHFFFAOYSA-N 0 0 247.298 2.284 50 0 BEAARN O[C@H]1/C(=C/c2ccccc2F)N2CCC1CC2 ZINC000012408350 183230117 /nfs/dbraw/zinc/23/01/17/183230117.db2.gz UKKVANDFEBKGCK-RNQWEJQRSA-N 0 0 233.286 2.253 50 0 BEAARN CCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000083662973 169098888 /nfs/dbraw/zinc/09/88/88/169098888.db2.gz LHCXKRXJMUMQEL-UHFFFAOYSA-N 0 0 243.253 2.261 50 0 BEAARN O[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000072206480 183238932 /nfs/dbraw/zinc/23/89/32/183238932.db2.gz VXAGQCJOIGKVLU-JTQLQIEISA-N 0 0 242.116 2.020 50 0 BEAARN O[C@H]1C[C@H](C(F)(F)F)Oc2ccccc21 ZINC000006658012 183247523 /nfs/dbraw/zinc/24/75/23/183247523.db2.gz ZEOOCEWBCFKVAA-IONNQARKSA-N 0 0 218.174 2.433 50 0 BEAARN O[C@H]1CCCC[C@@H]1Nc1ncnc2ccsc21 ZINC000052007390 183232894 /nfs/dbraw/zinc/23/28/94/183232894.db2.gz AMTKSFGJUZBUDW-WPRPVWTQSA-N 0 0 249.339 2.407 50 0 BEAARN O[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000000757521 183234630 /nfs/dbraw/zinc/23/46/30/183234630.db2.gz BCRJNVAVUJIGET-VIFPVBQESA-N 0 0 243.709 2.436 50 0 BEAARN O[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000020600131 183236025 /nfs/dbraw/zinc/23/60/25/183236025.db2.gz VRWFLUYNBVBAGD-QMMMGPOBSA-N 0 0 231.748 2.358 50 0 BEAARN CCCN(CC(F)F)C(=O)N[C@@H]1C[C@@H]1C ZINC000071799470 169107917 /nfs/dbraw/zinc/10/79/17/169107917.db2.gz JFYPROAWMPWVIG-JGVFFNPUSA-N 0 0 220.263 2.082 50 0 BEAARN Oc1ccc(Cc2nnc(C3CC3)[nH]2)cc1F ZINC000065387031 183271609 /nfs/dbraw/zinc/27/16/09/183271609.db2.gz IENPUTLUIPHQMV-UHFFFAOYSA-N 0 0 233.246 2.118 50 0 BEAARN CCCN(CC1CC1)c1ncnc2nc(C)[nH]c21 ZINC000072240936 169137917 /nfs/dbraw/zinc/13/79/17/169137917.db2.gz FPKSKBFISPNJBN-UHFFFAOYSA-N 0 0 245.330 2.288 50 0 BEAARN Oc1ccc([C@H](O)c2ccccc2)cc1 ZINC000021952723 183278272 /nfs/dbraw/zinc/27/82/72/183278272.db2.gz QATSOLLSVDVSAL-CYBMUJFWSA-N 0 0 200.237 2.474 50 0 BEAARN CCCN(CCC)C(=O)NCCCOCC ZINC000096996427 169142513 /nfs/dbraw/zinc/14/25/13/169142513.db2.gz LJTIFHBWULLUFW-UHFFFAOYSA-N 0 0 230.352 2.245 50 0 BEAARN Oc1cccc(I)c1F ZINC000042750091 183293421 /nfs/dbraw/zinc/29/34/21/183293421.db2.gz SREOHDAFLRMPKV-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN CCCN(CCc1ccccn1)c1ncccn1 ZINC000096449425 169170140 /nfs/dbraw/zinc/17/01/40/169170140.db2.gz QFOVIQCKMZNAOQ-UHFFFAOYSA-N 0 0 242.326 2.331 50 0 BEAARN O=c1cc[nH]c(Cl)c1Br ZINC000090411280 183304574 /nfs/dbraw/zinc/30/45/74/183304574.db2.gz WZFWCVWUCXALOD-UHFFFAOYSA-N 0 0 208.442 2.203 50 0 BEAARN Oc1cnc(-c2ccc(-c3cc[nH]n3)cc2)nc1 ZINC000020233592 183305126 /nfs/dbraw/zinc/30/51/26/183305126.db2.gz AROLEXFREKORKP-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN CCCN1c2ccc(N)cc2OCC(C)(C)C1=O ZINC000034936219 169183977 /nfs/dbraw/zinc/18/39/77/169183977.db2.gz SXJIXSNYELSPTL-UHFFFAOYSA-N 0 0 248.326 2.430 50 0 BEAARN CCCN1C(=O)C[C@@H](c2ccc(C)cc2)NC1=O ZINC000039042791 169184682 /nfs/dbraw/zinc/18/46/82/169184682.db2.gz OWMKBYZUSHPFPF-LBPRGKRZSA-N 0 0 246.310 2.388 50 0 BEAARN CCCN1C(=O)c2ccccc2[C@H]1OC ZINC000004599596 169185671 /nfs/dbraw/zinc/18/56/71/169185671.db2.gz JJVHSJSOZWDQMJ-GFCCVEGCSA-N 0 0 205.257 2.197 50 0 BEAARN CCCN1C(=O)c2ccccc2[C@@H]1OC ZINC000004599597 169185800 /nfs/dbraw/zinc/18/58/00/169185800.db2.gz JJVHSJSOZWDQMJ-LBPRGKRZSA-N 0 0 205.257 2.197 50 0 BEAARN [O-][n+]1ccccc1Oc1ncnc2sccc21 ZINC000008063578 183318710 /nfs/dbraw/zinc/31/87/10/183318710.db2.gz BOCUVRDSGUQJPJ-UHFFFAOYSA-N 0 0 245.263 2.117 50 0 BEAARN c1n[nH]cc1-c1ccc(-c2cn[nH]c2)cc1 ZINC000097756694 183328651 /nfs/dbraw/zinc/32/86/51/183328651.db2.gz RUGLQPNWHSDVER-UHFFFAOYSA-N 0 0 210.240 2.467 50 0 BEAARN c1csc(-c2cccc3ccnn32)n1 ZINC000072152239 183331814 /nfs/dbraw/zinc/33/18/14/183331814.db2.gz DBLDCTJPCIIUFT-UHFFFAOYSA-N 0 0 201.254 2.458 50 0 BEAARN S=C(NC1CC1)N(Cc1cccnc1)C1CC1 ZINC000006257617 183311092 /nfs/dbraw/zinc/31/10/92/183311092.db2.gz HYIWEUNYZXGDEY-UHFFFAOYSA-N 0 0 247.367 2.083 50 0 BEAARN S=C(NC1CC1)N[C@H]1C[C@H]1c1ccccc1 ZINC000084525472 183311416 /nfs/dbraw/zinc/31/14/16/183311416.db2.gz CWOPSMMWFMVWTI-RYUDHWBXSA-N 0 0 232.352 2.169 50 0 BEAARN S=C(NC1CC1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000063175154 183311776 /nfs/dbraw/zinc/31/17/76/183311776.db2.gz CWOPSMMWFMVWTI-NWDGAFQWSA-N 0 0 232.352 2.169 50 0 BEAARN S=C1N(c2ccccc2)C[C@@H]2CCCN12 ZINC000004099535 183312733 /nfs/dbraw/zinc/31/27/33/183312733.db2.gz DYNGAEFTHPKTMO-NSHDSACASA-N 0 0 218.325 2.256 50 0 BEAARN CCCNC(=O)CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000081574673 169223263 /nfs/dbraw/zinc/22/32/63/169223263.db2.gz KCYFXQCUXXEMER-IUODEOHRSA-N 0 0 246.354 2.206 50 0 BEAARN CCCNC(=O)COc1cc(C)cc(C)c1 ZINC000041104103 169231239 /nfs/dbraw/zinc/23/12/39/169231239.db2.gz IUIFKEQYCXEXER-UHFFFAOYSA-N 0 0 221.300 2.208 50 0 BEAARN CCCNC(=O)CSc1ccccc1 ZINC000008186098 169232325 /nfs/dbraw/zinc/23/23/25/169232325.db2.gz CXKBVVRGSQTRMN-UHFFFAOYSA-N 0 0 209.314 2.305 50 0 BEAARN CCCNC(=O)CCc1ccc(C)cc1 ZINC000010333572 169218318 /nfs/dbraw/zinc/21/83/18/169218318.db2.gz IPAIBTYMFVJMCI-UHFFFAOYSA-N 0 0 205.301 2.454 50 0 BEAARN CCCNC(=S)NC1CCCCC1 ZINC000017083495 169255109 /nfs/dbraw/zinc/25/51/09/169255109.db2.gz LVMOFXPDSLTZHU-UHFFFAOYSA-N 0 0 200.351 2.193 50 0 BEAARN CCCNC(=O)[C@@H](C)Sc1ccccn1 ZINC000032774306 169241977 /nfs/dbraw/zinc/24/19/77/169241977.db2.gz RCZNMQZWFGFFLV-SECBINFHSA-N 0 0 224.329 2.088 50 0 BEAARN CCCNC(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000036014145 169243530 /nfs/dbraw/zinc/24/35/30/169243530.db2.gz UBYNAJWCXNQGBX-ZDUSSCGKSA-N 0 0 246.310 2.014 50 0 BEAARN c1ccc(-c2ccc(N[C@H]3CCOC3)nn2)cc1 ZINC000032523829 183379750 /nfs/dbraw/zinc/37/97/50/183379750.db2.gz XLDBWBRTTQQEEM-LBPRGKRZSA-N 0 0 241.294 2.344 50 0 BEAARN CCCNC(=O)[C@@H](C)Sc1nc(C)cs1 ZINC000032776062 169243726 /nfs/dbraw/zinc/24/37/26/169243726.db2.gz MTZRIKXGTWZRDQ-MRVPVSSYSA-N 0 0 244.385 2.458 50 0 BEAARN CCCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000005014082 169245218 /nfs/dbraw/zinc/24/52/18/169245218.db2.gz SSBRZLQUFVASLA-UONOGXRCSA-N 0 0 237.343 2.298 50 0 BEAARN c1oc(-c2ccccc2)nc1CN1CCOCC1 ZINC000072181881 183382218 /nfs/dbraw/zinc/38/22/18/183382218.db2.gz YBRKORVVGIGIMS-UHFFFAOYSA-N 0 0 244.294 2.174 50 0 BEAARN CCCNC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000006593286 169247477 /nfs/dbraw/zinc/24/74/77/169247477.db2.gz OAPQOQQCRDDDKY-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN CCCNC(=O)c1cc(O)ccc1Cl ZINC000226433187 169251035 /nfs/dbraw/zinc/25/10/35/169251035.db2.gz JNXCXLKRWCQAFB-UHFFFAOYSA-N 0 0 213.664 2.185 50 0 BEAARN CCCNC(=O)c1ccc(N)cc1Cl ZINC000008732465 169251402 /nfs/dbraw/zinc/25/14/02/169251402.db2.gz QSXXLLRXBMOBBI-UHFFFAOYSA-N 0 0 212.680 2.062 50 0 BEAARN CCCNC(=O)c1ccc(NC(=O)CC)cc1 ZINC000004814393 169251626 /nfs/dbraw/zinc/25/16/26/169251626.db2.gz ZUPCWDHTDIFELX-UHFFFAOYSA-N 0 0 234.299 2.175 50 0 BEAARN CCCNC(=O)c1cnn(-c2ccccc2)c1 ZINC000012861901 169253268 /nfs/dbraw/zinc/25/32/68/169253268.db2.gz SLYWAMWALCWMMU-UHFFFAOYSA-N 0 0 229.283 2.012 50 0 BEAARN CCCOC1CN(C(=O)OC(C)(C)C)C1 ZINC000074938064 169301572 /nfs/dbraw/zinc/30/15/72/169301572.db2.gz PKVBPBBOFWPSTL-UHFFFAOYSA-N 0 0 215.293 2.032 50 0 BEAARN CCCO[C@@H]1CCC[N@@H+]([C@H](CC)C(=O)[O-])CC1 ZINC000248988769 169312145 /nfs/dbraw/zinc/31/21/45/169312145.db2.gz WDUTZPAJISAQHM-VXGBXAGGSA-N 0 0 243.347 2.131 50 0 BEAARN CCCOc1ccc(C=O)cc1CN(C)C ZINC000006659912 169317598 /nfs/dbraw/zinc/31/75/98/169317598.db2.gz OZUQTQBKNRTBSH-UHFFFAOYSA-N 0 0 221.300 2.350 50 0 BEAARN CCCOc1cc(C)c(C(N)=O)c(C)c1 ZINC000071456985 169315004 /nfs/dbraw/zinc/31/50/04/169315004.db2.gz ZIRJHEAJWTWIPY-UHFFFAOYSA-N 0 0 207.273 2.191 50 0 BEAARN CCCOc1cc2c(cc1C=O)OCO2 ZINC000004986052 169315446 /nfs/dbraw/zinc/31/54/46/169315446.db2.gz CCOPRBGCENZIDF-UHFFFAOYSA-N 0 0 208.213 2.017 50 0 BEAARN CCCNc1cc(-n2nc(C)cc2C)ncn1 ZINC000064543262 169294096 /nfs/dbraw/zinc/29/40/96/169294096.db2.gz RWZYSXYLDPECQS-UHFFFAOYSA-N 0 0 231.303 2.101 50 0 BEAARN CCCNc1ncc(Br)cn1 ZINC000038537690 169296673 /nfs/dbraw/zinc/29/66/73/169296673.db2.gz LKPSCRPSLFEGGS-UHFFFAOYSA-N 0 0 216.082 2.061 50 0 BEAARN CCCOc1ccc(CCC(=O)NC)cc1 ZINC000096430547 169317885 /nfs/dbraw/zinc/31/78/85/169317885.db2.gz OPUORPVSBPGCEW-UHFFFAOYSA-N 0 0 221.300 2.154 50 0 BEAARN CCCOc1ccc(CO)cc1-c1cnn(C)c1 ZINC000032551017 169319222 /nfs/dbraw/zinc/31/92/22/169319222.db2.gz BIGBBKLBTVDSGP-UHFFFAOYSA-N 0 0 246.310 2.368 50 0 BEAARN CCCOc1ccc2[nH]cc(CO)c2c1 ZINC000033992423 169323473 /nfs/dbraw/zinc/32/34/73/169323473.db2.gz HIXBHKWSQUTCDH-UHFFFAOYSA-N 0 0 205.257 2.449 50 0 BEAARN CCCOc1ccccc1[C@@H](C)NC=O ZINC000036562487 169327296 /nfs/dbraw/zinc/32/72/96/169327296.db2.gz ITVOOKSWYVGJFF-SNVBAGLBSA-N 0 0 207.273 2.282 50 0 BEAARN CCC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000032768137 169368687 /nfs/dbraw/zinc/36/86/87/169368687.db2.gz WMQZZYADZSJOTQ-ZWNOBZJWSA-N 0 0 233.311 2.295 50 0 BEAARN CCC[C@@H](C)CC(=O)OCc1cnns1 ZINC000095461478 169357678 /nfs/dbraw/zinc/35/76/78/169357678.db2.gz QHJNEBRHHGLIFP-MRVPVSSYSA-N 0 0 228.317 2.408 50 0 BEAARN CCC[C@@H](C)N(C)C(=O)c1ccc2n[nH]nc2c1 ZINC000032064895 169364067 /nfs/dbraw/zinc/36/40/67/169364067.db2.gz FTXNMAKQUMLVAZ-SECBINFHSA-N 0 0 246.314 2.219 50 0 BEAARN CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000225462352 169374689 /nfs/dbraw/zinc/37/46/89/169374689.db2.gz WCRQUMHXPMAXSS-GHMZBOCLSA-N 0 0 213.321 2.362 50 0 BEAARN c1coc(-c2ccnc(N3CCCC3)n2)c1 ZINC000067320843 183502811 /nfs/dbraw/zinc/50/28/11/183502811.db2.gz KVJVCNJCMBJAHN-UHFFFAOYSA-N 0 0 215.256 2.337 50 0 BEAARN CCC[C@@H](Nc1ccccc1)N1C(=O)CCC1=O ZINC000000292119 169404988 /nfs/dbraw/zinc/40/49/88/169404988.db2.gz WRSHZIHPVQQJCZ-LBPRGKRZSA-N 0 0 246.310 2.374 50 0 BEAARN CC(C)(C)OC(=O)N1C(=O)[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000072481878 166643409 /nfs/dbraw/zinc/64/34/09/166643409.db2.gz GQETWINOIJFTEK-JLIMGVALSA-N 0 0 237.299 2.178 50 0 BEAARN c1[nH]nc2c1[C@@H](c1nc(C3CC3)no1)CCC2 ZINC000089764904 183523118 /nfs/dbraw/zinc/52/31/18/183523118.db2.gz YTZDEMMSQVITEZ-QMMMGPOBSA-N 0 0 230.271 2.138 50 0 BEAARN c1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000000124604 183552609 /nfs/dbraw/zinc/55/26/09/183552609.db2.gz GOMHVJXSMQEXRS-UHFFFAOYSA-N 0 0 230.296 2.218 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@]2(CCC(=O)C2)C1 ZINC000095743442 166654094 /nfs/dbraw/zinc/65/40/94/166654094.db2.gz KVDDOJNQXATXQE-CYBMUJFWSA-N 0 0 239.315 2.367 50 0 BEAARN CCC[C@H]1CCCC[C@@H]1NC(=O)COC ZINC000071796115 169524392 /nfs/dbraw/zinc/52/43/92/169524392.db2.gz GEFMBXWDCJMAFY-QWRGUYRKSA-N 0 0 213.321 2.108 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H](CO)CC1CCCC1 ZINC000098209896 166665157 /nfs/dbraw/zinc/66/51/57/166665157.db2.gz ZLEBLWDLKHDYEW-LLVKDONJSA-N 0 0 243.347 2.452 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1C(C)(C)[C@@H](O)C1(C)C ZINC000103523059 166665428 /nfs/dbraw/zinc/66/54/28/166665428.db2.gz BRCDKHQTJYOCIF-KYZUINATSA-N 0 0 243.347 2.307 50 0 BEAARN CCCc1cc(C(=O)Nc2cc(C)ccn2)n[nH]1 ZINC000072010644 169565521 /nfs/dbraw/zinc/56/55/21/169565521.db2.gz PASSTXQJZAVZAC-UHFFFAOYSA-N 0 0 244.298 2.318 50 0 BEAARN CCCc1cc(C(=O)NCCOC)sc1C ZINC000040462282 169564410 /nfs/dbraw/zinc/56/44/10/169564410.db2.gz GYVNWFFRJIQKME-UHFFFAOYSA-N 0 0 241.356 2.385 50 0 BEAARN CCN(C(=O)N1CCOCC1)c1ccccc1C ZINC000000318651 169640927 /nfs/dbraw/zinc/64/09/27/169640927.db2.gz ONCMDCNENPNXDF-UHFFFAOYSA-N 0 0 248.326 2.274 50 0 BEAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000036597 383819227 /nfs/dbraw/zinc/81/92/27/383819227.db2.gz IGWGXOHABPCPHZ-UHFFFAOYSA-N 0 0 239.340 2.170 50 0 BEAARN CCC[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000000031767 383820111 /nfs/dbraw/zinc/82/01/11/383820111.db2.gz XWXDOICPSDSPFB-JTQLQIEISA-N 0 0 249.310 2.468 50 0 BEAARN Cc1nnc(CNc2cccc(C)c2F)o1 ZINC000297734032 383820629 /nfs/dbraw/zinc/82/06/29/383820629.db2.gz NQPIRWPCRYTSDJ-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN O=C(Nc1nncs1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000068269 383820819 /nfs/dbraw/zinc/82/08/19/383820819.db2.gz WXAMAHSYLBWLBH-NXEZZACHSA-N 0 0 245.307 2.280 50 0 BEAARN CCc1ncc(CN(C)Cc2cscn2)cn1 ZINC000414378123 383822406 /nfs/dbraw/zinc/82/24/06/383822406.db2.gz GBMHYPGSWTUJAP-UHFFFAOYSA-N 0 0 248.355 2.128 50 0 BEAARN O=C1NN[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000000083454 383824196 /nfs/dbraw/zinc/82/41/96/383824196.db2.gz KYCUKDBLOYZMRV-KBPBESRZSA-N 0 0 238.290 2.146 50 0 BEAARN Cc1noc(C)c1-c1nc(-c2ccccn2)no1 ZINC000000114092 383826599 /nfs/dbraw/zinc/82/65/99/383826599.db2.gz VDBLSAVEWXXFPW-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN CC(=O)c1cccc(Oc2ncccn2)c1 ZINC000000170272 383838283 /nfs/dbraw/zinc/83/82/83/383838283.db2.gz OMHNTGPQUCHKHG-UHFFFAOYSA-N 0 0 214.224 2.472 50 0 BEAARN COC(=O)c1cccc(C(F)(F)F)c1 ZINC000000167073 383838730 /nfs/dbraw/zinc/83/87/30/383838730.db2.gz QQHNNQCWKYFNAC-UHFFFAOYSA-N 0 0 204.147 2.492 50 0 BEAARN CC(C)(C)c1nc2cncc(C=O)c2o1 ZINC000066054422 383845319 /nfs/dbraw/zinc/84/53/19/383845319.db2.gz KQVUYPFXMFZVRM-UHFFFAOYSA-N 0 0 204.229 2.333 50 0 BEAARN COC(=O)c1ccc(C(F)(F)F)cc1O ZINC000000295772 383850153 /nfs/dbraw/zinc/85/01/53/383850153.db2.gz IRELIHAAUCMEDQ-UHFFFAOYSA-N 0 0 220.146 2.198 50 0 BEAARN CCN(C)C(=O)/C=C\c1ccnc(Cl)c1 ZINC000098059526 383851510 /nfs/dbraw/zinc/85/15/10/383851510.db2.gz CFINDMLFVHTVOP-PLNGDYQASA-N 0 0 224.691 2.227 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000372185 383859881 /nfs/dbraw/zinc/85/98/81/383859881.db2.gz JCTYEPZJGLBQKZ-IYSWYEEDSA-N 0 0 223.301 2.010 50 0 BEAARN O=Cc1cnn(-c2ccccc2)c1Cl ZINC000000383870 383860950 /nfs/dbraw/zinc/86/09/50/383860950.db2.gz NSFKRTCSUBXVIK-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN O=CNc1ccc(Br)cc1 ZINC000000396370 383864578 /nfs/dbraw/zinc/86/45/78/383864578.db2.gz PYHXNHQAVPSOKT-UHFFFAOYSA-N 0 0 200.035 2.017 50 0 BEAARN CCOCCOCc1cccc(N)c1C ZINC000035649392 383867021 /nfs/dbraw/zinc/86/70/21/383867021.db2.gz JTVIXLMAYVXQCP-UHFFFAOYSA-N 0 0 209.289 2.130 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)c1cccc(F)c1 ZINC000000471522 383869828 /nfs/dbraw/zinc/86/98/28/383869828.db2.gz FNWGLYABYNOQHG-UHFFFAOYSA-N 0 0 233.246 2.418 50 0 BEAARN c1nncn1NCc1cccc2ccccc21 ZINC000000498764 383871795 /nfs/dbraw/zinc/87/17/95/383871795.db2.gz YLXSQBNWRNCKSA-UHFFFAOYSA-N 0 0 224.267 2.175 50 0 BEAARN CCc1ccc(NS(=O)(=O)CC)cc1 ZINC000000473985 383873089 /nfs/dbraw/zinc/87/30/89/383873089.db2.gz LPTBXLTZPPIOLX-UHFFFAOYSA-N 0 0 213.302 2.011 50 0 BEAARN CC1(C)CC(=O)c2cnc(NC3CC3)nc2C1 ZINC000000534276 383874990 /nfs/dbraw/zinc/87/49/90/383874990.db2.gz SRTJCOPFMBONLF-UHFFFAOYSA-N 0 0 231.299 2.206 50 0 BEAARN COC(=O)c1c(C)[nH]nc1-c1cccs1 ZINC000000118523 383829571 /nfs/dbraw/zinc/82/95/71/383829571.db2.gz IGUKTJRPNHRPKC-UHFFFAOYSA-N 0 0 222.269 2.233 50 0 BEAARN CC1(C)C(=S)N[C@H](c2ccccc2)N1O ZINC000000136368 383833359 /nfs/dbraw/zinc/83/33/59/383833359.db2.gz WQSXWDOQZZBNFX-VIFPVBQESA-N 0 0 222.313 2.086 50 0 BEAARN CCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000001577194 383907683 /nfs/dbraw/zinc/90/76/83/383907683.db2.gz RQUXYBHREKXNKT-UHFFFAOYSA-N 0 0 227.329 2.073 50 0 BEAARN c1ccc(NC[C@H]2COc3ccccc3O2)nc1 ZINC000000206940 383909968 /nfs/dbraw/zinc/90/99/68/383909968.db2.gz YMQBJGTZQCKUSC-NSHDSACASA-N 0 0 242.278 2.334 50 0 BEAARN CCCCOC(=O)CC(=O)OCCCC ZINC000001641637 383916323 /nfs/dbraw/zinc/91/63/23/383916323.db2.gz NFKGQHYUYGYHIS-UHFFFAOYSA-N 0 0 216.277 2.063 50 0 BEAARN O=C1c2ccccc2NC(=S)[C@H]2CCCN12 ZINC000001655097 383918713 /nfs/dbraw/zinc/91/87/13/383918713.db2.gz BZHZJGWHSFMMMN-SNVBAGLBSA-N 0 0 232.308 2.044 50 0 BEAARN CC(=O)c1ccccc1I ZINC000001678776 383920742 /nfs/dbraw/zinc/92/07/42/383920742.db2.gz XDXCBCXNCQGZPG-UHFFFAOYSA-N 0 0 246.047 2.494 50 0 BEAARN CC(C)Cc1nc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000067473213 383926567 /nfs/dbraw/zinc/92/65/67/383926567.db2.gz JYMOTRMQXJCGCW-UHFFFAOYSA-N 0 0 245.282 2.399 50 0 BEAARN COC(=O)c1ccc(-n2cccc2)cc1 ZINC000000895965 383882930 /nfs/dbraw/zinc/88/29/30/383882930.db2.gz XCBRROUJSCMUGF-UHFFFAOYSA-N 0 0 201.225 2.264 50 0 BEAARN Cc1c2c(nn1-c1ccccc1)c(=O)[nH]nc2C ZINC000001020770 383885501 /nfs/dbraw/zinc/88/55/01/383885501.db2.gz FPMOGLLDLIURMM-UHFFFAOYSA-N 0 0 240.266 2.138 50 0 BEAARN Cc1cc(C(=O)Nc2cnccn2)cs1 ZINC000001054682 383888072 /nfs/dbraw/zinc/88/80/72/383888072.db2.gz MLOJHFIUARFMBE-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN COC(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1 ZINC000001403984 383896992 /nfs/dbraw/zinc/89/69/92/383896992.db2.gz ZJNOHZUYPLJTGK-UHFFFAOYSA-N 0 0 243.262 2.227 50 0 BEAARN CN[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000037458420 383978700 /nfs/dbraw/zinc/97/87/00/383978700.db2.gz AUZGIVMULMRHBJ-SECBINFHSA-N 0 0 248.109 2.427 50 0 biogenic BEAARN Nc1nn(Cc2cccc(F)c2)cc1Cl ZINC000002578499 383978744 /nfs/dbraw/zinc/97/87/44/383978744.db2.gz CSSAALCFGVTUBI-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN O=Cc1ccc(O[C@@H]2CCCCO2)cc1 ZINC000002581189 383978858 /nfs/dbraw/zinc/97/88/58/383978858.db2.gz QYKABQMBXCBINA-GFCCVEGCSA-N 0 0 206.241 2.405 50 0 BEAARN O=C([O-])CCCC[NH+]1Cc2ccccc2C1 ZINC000002573710 383978872 /nfs/dbraw/zinc/97/88/72/383978872.db2.gz MAIUSPSELRFJHV-UHFFFAOYSA-N 0 0 219.284 2.257 50 0 BEAARN Cc1nnc(S[C@@H]2CCCCC2=O)s1 ZINC000037485676 383980407 /nfs/dbraw/zinc/98/04/07/383980407.db2.gz XMGJPMNSPKPFLZ-MRVPVSSYSA-N 0 0 228.342 2.450 50 0 BEAARN O=C(Nc1nncs1)[C@@H]1C[C@H]1c1ccccc1 ZINC000002741494 383987446 /nfs/dbraw/zinc/98/74/46/383987446.db2.gz WXAMAHSYLBWLBH-VHSXEESVSA-N 0 0 245.307 2.280 50 0 BEAARN CC(C)c1nccn1CCc1cnccn1 ZINC000071575909 383997625 /nfs/dbraw/zinc/99/76/25/383997625.db2.gz GOJISWSVCLJCJB-UHFFFAOYSA-N 0 0 216.288 2.039 50 0 BEAARN c1cncc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000089794018 383998355 /nfs/dbraw/zinc/99/83/55/383998355.db2.gz FROCHSJPEKNJHY-KBPBESRZSA-N 0 0 232.327 2.225 50 0 BEAARN O=C([C@H]1CCCOC1)N1CCc2ccc(F)cc21 ZINC000089807215 383998384 /nfs/dbraw/zinc/99/83/84/383998384.db2.gz SMTDIDDYBROVFC-NSHDSACASA-N 0 0 249.285 2.141 50 0 BEAARN CS(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000003160519 383999633 /nfs/dbraw/zinc/99/96/33/383999633.db2.gz GXPGKOGAGPTQOO-UHFFFAOYSA-N 0 0 239.218 2.077 50 0 BEAARN COc1cc(N)c(C)c(Br)c1 ZINC000089157253 383938128 /nfs/dbraw/zinc/93/81/28/383938128.db2.gz YEFCZGSQVGSVEI-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN COC(=O)c1ccc(NC(=O)NCC2CC2)cc1 ZINC000048008925 383943383 /nfs/dbraw/zinc/94/33/83/383943383.db2.gz ATTSQLNBAGRXRZ-UHFFFAOYSA-N 0 0 248.282 2.005 50 0 BEAARN COc1nccnc1-c1ccc(NC(C)=O)cc1 ZINC000067772839 383944012 /nfs/dbraw/zinc/94/40/12/383944012.db2.gz BLYDQZGXRLOMNP-UHFFFAOYSA-N 0 0 243.266 2.111 50 0 BEAARN COc1ncccc1-c1cnccc1C ZINC000067773644 383944344 /nfs/dbraw/zinc/94/43/44/383944344.db2.gz DKWMWKSEJDBWDA-UHFFFAOYSA-N 0 0 200.241 2.461 50 0 BEAARN CCOP(=O)(OCC)[C@@H](O)C(F)(F)F ZINC000003134167 384000399 /nfs/dbraw/zinc/00/03/99/384000399.db2.gz ZVRKPNJLSIJXPF-RXMQYKEDSA-N 0 0 236.126 2.133 50 0 BEAARN CC(=O)N[C@H](C)c1ccc(-c2cc[nH]n2)cc1 ZINC000067847269 383952439 /nfs/dbraw/zinc/95/24/39/383952439.db2.gz WQUTYLYHBJRZQA-SECBINFHSA-N 0 0 229.283 2.274 50 0 BEAARN COP(=O)(NNc1ccccc1)OC ZINC000071774223 384001345 /nfs/dbraw/zinc/00/13/45/384001345.db2.gz DHLJGELBVPMTFG-UHFFFAOYSA-N 0 0 216.177 2.004 50 0 BEAARN CS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000002539785 383974051 /nfs/dbraw/zinc/97/40/51/383974051.db2.gz QIYHQTUAQZMJGS-UHFFFAOYSA-N 0 0 225.096 2.397 50 0 BEAARN COC(=O)c1c(O)ccc2ccccc21 ZINC000002565554 383976148 /nfs/dbraw/zinc/97/61/48/383976148.db2.gz LEENMPKUUNPLHM-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN CCCN(C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000335066593 384019431 /nfs/dbraw/zinc/01/94/31/384019431.db2.gz AUOWZLUPVKQLAR-ZJUUUORDSA-N 0 0 201.285 2.383 50 0 BEAARN CCOc1ccccc1-c1cc(N)on1 ZINC000003715886 384025858 /nfs/dbraw/zinc/02/58/58/384025858.db2.gz YVGDGVAGPHKKLP-UHFFFAOYSA-N 0 0 204.229 2.323 50 0 BEAARN COC(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000003332493 384006692 /nfs/dbraw/zinc/00/66/92/384006692.db2.gz QEVQARVJHUHBEI-UHFFFAOYSA-N 0 0 233.267 2.212 50 0 BEAARN CCCNC(=O)Nc1cnc2c(c1)CCC2 ZINC000257182541 384027382 /nfs/dbraw/zinc/02/73/82/384027382.db2.gz GQNXRTBGMVMNFF-UHFFFAOYSA-N 0 0 219.288 2.102 50 0 BEAARN CNc1ccc(F)cc1OC1CCOCC1 ZINC000309582437 384030659 /nfs/dbraw/zinc/03/06/59/384030659.db2.gz QUIICDVJTXZZMV-UHFFFAOYSA-N 0 0 225.263 2.425 50 0 BEAARN CCN(CC)c1ncnnc1-c1ccccc1 ZINC000000340482 384085420 /nfs/dbraw/zinc/08/54/20/384085420.db2.gz ATYYMERBRVMLBB-UHFFFAOYSA-N 0 0 228.299 2.385 50 0 BEAARN O=Cc1cc(Br)ncc1Cl ZINC000038540736 384087114 /nfs/dbraw/zinc/08/71/14/384087114.db2.gz OBHVMEJUYJSWKS-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN CS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000004290593 384055076 /nfs/dbraw/zinc/05/50/76/384055076.db2.gz BJHVICRZFASGMF-UHFFFAOYSA-N 0 0 238.230 2.250 50 0 BEAARN C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000090635814 384065843 /nfs/dbraw/zinc/06/58/43/384065843.db2.gz MAKWYVSEDPFHGW-CQSZACIVSA-N 0 0 249.310 2.170 50 0 BEAARN CC(C)C(=O)NCCCc1ccc(N(C)C)cc1 ZINC000011693658 384090979 /nfs/dbraw/zinc/09/09/79/384090979.db2.gz RDWOMRLUJDCOHF-UHFFFAOYSA-N 0 0 248.370 2.457 50 0 BEAARN FC(F)c1nnc(NC2CCC2)s1 ZINC000269313769 384077635 /nfs/dbraw/zinc/07/76/35/384077635.db2.gz DWVZNXXLAAGUPV-UHFFFAOYSA-N 0 0 205.233 2.440 50 0 BEAARN Brc1nccc2cnccc21 ZINC000039343427 384110622 /nfs/dbraw/zinc/11/06/22/384110622.db2.gz FLJZODPOGAZBNC-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN O=C(CC(F)(F)F)NCCc1ccccc1 ZINC000039365200 384114633 /nfs/dbraw/zinc/11/46/33/384114633.db2.gz VCTCCKAJSPGYRV-UHFFFAOYSA-N 0 0 231.217 2.298 50 0 BEAARN Cc1cc(C)cc(CN2C(=O)NC(C)(C)C2=O)c1 ZINC000039583882 384116564 /nfs/dbraw/zinc/11/65/64/384116564.db2.gz KHCVGZLPRRSWNV-UHFFFAOYSA-N 0 0 246.310 2.134 50 0 BEAARN O=C([O-])CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004998599 384094158 /nfs/dbraw/zinc/09/41/58/384094158.db2.gz ITMUQTABMZRAAP-UHFFFAOYSA-N 0 0 247.338 2.416 50 0 BEAARN Cc1c[nH]c(CCNc2nnc(C(C)(C)C)o2)n1 ZINC000091605134 384136586 /nfs/dbraw/zinc/13/65/86/384136586.db2.gz PMUMTLNAYYYVFF-UHFFFAOYSA-N 0 0 249.318 2.053 50 0 BEAARN CCCn1nc(C)c(CNc2ccncn2)c1C ZINC000091381879 384125940 /nfs/dbraw/zinc/12/59/40/384125940.db2.gz JTAVHXQZEWRMMJ-UHFFFAOYSA-N 0 0 245.330 2.312 50 0 BEAARN Cc1ccc(C)c(N[C@H]2C=CS(=O)(=O)C2)c1 ZINC000040173669 384128109 /nfs/dbraw/zinc/12/81/09/384128109.db2.gz UICWHXHAKQKZOG-NSHDSACASA-N 0 0 237.324 2.026 50 0 BEAARN Fc1ccc(Br)c2c1C[NH2+]CC2 ZINC000070652876 384130241 /nfs/dbraw/zinc/13/02/41/384130241.db2.gz VEFJLANOEZRMJY-UHFFFAOYSA-N 0 0 230.080 2.234 50 0 BEAARN Clc1cc2nccnc2c(Cl)n1 ZINC000091692700 384137742 /nfs/dbraw/zinc/13/77/42/384137742.db2.gz SNWNPXRUXXCDOM-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN CC(C)c1cc(C(=O)N2CCCC2)on1 ZINC000071093558 384150388 /nfs/dbraw/zinc/15/03/88/384150388.db2.gz CWFSQJHLQILXBP-UHFFFAOYSA-N 0 0 208.261 2.034 50 0 BEAARN COC(=O)c1ccc2ncnc(Cl)c2c1 ZINC000040448621 384154925 /nfs/dbraw/zinc/15/49/25/384154925.db2.gz ZFTPRYBXJRWOHZ-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN COC(=O)c1c(F)cc(F)cc1Cl ZINC000091692999 384141128 /nfs/dbraw/zinc/14/11/28/384141128.db2.gz AGTGSYGWBGMUSG-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN O=Cc1cccc(C=O)c1Br ZINC000006130134 384145002 /nfs/dbraw/zinc/14/50/02/384145002.db2.gz RZUSSKMZLHKMHU-UHFFFAOYSA-N 0 0 213.030 2.074 50 0 BEAARN CC(C)CCNC(=O)c1cn2ccccc2n1 ZINC000097938983 384162633 /nfs/dbraw/zinc/16/26/33/384162633.db2.gz JBZLFKUOVULFIT-UHFFFAOYSA-N 0 0 231.299 2.110 50 0 BEAARN Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000097372745 384176184 /nfs/dbraw/zinc/17/61/84/384176184.db2.gz NVTBGSGMYWQJSJ-GHMZBOCLSA-N 0 0 249.314 2.031 50 0 BEAARN Cc1nnc(NC(=O)Cc2ccccc2C)s1 ZINC000006725671 384166005 /nfs/dbraw/zinc/16/60/05/384166005.db2.gz XXPFZKJMKPBUNA-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN Cc1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000002762551 384185478 /nfs/dbraw/zinc/18/54/78/384185478.db2.gz MBFDGPSHOHTRQI-LLVKDONJSA-N 0 0 221.300 2.287 50 0 BEAARN CON1C(=O)c2ccccc2C2(CCCC2)C1=O ZINC000071774304 384177245 /nfs/dbraw/zinc/17/72/45/384177245.db2.gz UPYWFSXEISKMPW-UHFFFAOYSA-N 0 0 245.278 2.042 50 0 BEAARN COCCn1ccnc1-c1nc2ccccc2[nH]1 ZINC000067786986 384185727 /nfs/dbraw/zinc/18/57/27/384185727.db2.gz JBWWSTYZHPXAPM-UHFFFAOYSA-N 0 0 242.282 2.073 50 0 BEAARN O=C([O-])C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000041154127 384180944 /nfs/dbraw/zinc/18/09/44/384180944.db2.gz VCHIBFWDWCULJA-UHFFFAOYSA-N 0 0 231.251 2.121 50 0 BEAARN CC(C)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000097377145 384182769 /nfs/dbraw/zinc/18/27/69/384182769.db2.gz JMHRVSCYZUMDAQ-INIZCTEOSA-N 0 0 239.340 2.160 50 0 BEAARN COC(=O)C(C)(C)c1cccc(OC)c1 ZINC000071863882 384183776 /nfs/dbraw/zinc/18/37/76/384183776.db2.gz FVSBGHWTPTUGCQ-UHFFFAOYSA-N 0 0 208.257 2.146 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@H](C)c2ccco2)cn1 ZINC000071867023 384183842 /nfs/dbraw/zinc/18/38/42/384183842.db2.gz WYEAPGIPKGLAAJ-SNVBAGLBSA-N 0 0 245.282 2.211 50 0 BEAARN CON(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000097402925 384202111 /nfs/dbraw/zinc/20/21/11/384202111.db2.gz ITNPKUYNWKBAAX-YUMQZZPRSA-N 0 0 239.237 2.375 50 0 BEAARN CO[C@@H]1CCCC[C@@H]1OC(=O)C1CCC1 ZINC000097404912 384204520 /nfs/dbraw/zinc/20/45/20/384204520.db2.gz VUTNEPGKFVOBSS-MNOVXSKESA-N 0 0 212.289 2.287 50 0 BEAARN CO[C@H]1CCCC[C@@H]1OC(=O)C1CCC1 ZINC000097404913 384204576 /nfs/dbraw/zinc/20/45/76/384204576.db2.gz VUTNEPGKFVOBSS-QWRGUYRKSA-N 0 0 212.289 2.287 50 0 BEAARN COC(=O)c1cccc(C=O)c1Br ZINC000072191318 384198624 /nfs/dbraw/zinc/19/86/24/384198624.db2.gz CNQNIZZOOUMRHI-UHFFFAOYSA-N 0 0 243.056 2.048 50 0 BEAARN O=C1NC2(CCC2)C(=O)N1CC12CCC(CC1)C2 ZINC000336569926 384239229 /nfs/dbraw/zinc/23/92/29/384239229.db2.gz AUJFNHDDXMGMHY-UHFFFAOYSA-N 0 0 248.326 2.041 50 0 BEAARN COC(=O)c1ccc(-c2ncccc2N)cc1 ZINC000008730190 384213165 /nfs/dbraw/zinc/21/31/65/384213165.db2.gz SXEBXNAKEFPTME-UHFFFAOYSA-N 0 0 228.251 2.117 50 0 BEAARN CCOCCOc1ncccc1Br ZINC000042376403 384213463 /nfs/dbraw/zinc/21/34/63/384213463.db2.gz MTZOXIXMUOMIHK-UHFFFAOYSA-N 0 0 246.104 2.259 50 0 BEAARN O=C(Nc1nccs1)N[C@H]1CC[C@H](F)C1 ZINC000336359262 384219072 /nfs/dbraw/zinc/21/90/72/384219072.db2.gz NCAHWPDIXGFDMM-BQBZGAKWSA-N 0 0 229.280 2.155 50 0 BEAARN Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](C)C(C)C ZINC000036398071 384243161 /nfs/dbraw/zinc/24/31/61/384243161.db2.gz BTDPXYAAJABFCB-QROSGCPLSA-N 0 0 249.358 2.211 50 0 BEAARN CC[C@H](NC(=O)c1cccc(OC)c1)C(F)F ZINC000408519781 384277143 /nfs/dbraw/zinc/27/71/43/384277143.db2.gz YRZQPOJCYJCTKM-JTQLQIEISA-N 0 0 243.253 2.469 50 0 BEAARN CCONC(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000022875336 384255033 /nfs/dbraw/zinc/25/50/33/384255033.db2.gz RIFUNXWGVZEUEE-UHFFFAOYSA-N 0 0 244.294 2.467 50 0 BEAARN Cn1nccc1NC(=O)Nc1ccccc1 ZINC000000116239 384266576 /nfs/dbraw/zinc/26/65/76/384266576.db2.gz DIQHXPDQFAFOPY-UHFFFAOYSA-N 0 0 216.244 2.064 50 0 BEAARN O=C(NC[C@H]1CCc2ccccc2C1)C(F)F ZINC000408514880 384271088 /nfs/dbraw/zinc/27/10/88/384271088.db2.gz CXBACISPCAXVKF-VIFPVBQESA-N 0 0 239.265 2.173 50 0 BEAARN CCc1nc(SCc2cccc(N)c2)n[nH]1 ZINC000408518356 384274940 /nfs/dbraw/zinc/27/49/40/384274940.db2.gz CPXSEQJHXPAJLI-UHFFFAOYSA-N 0 0 234.328 2.242 50 0 BEAARN O=Cc1cccc(OCC(F)(F)F)c1 ZINC000012354428 384312784 /nfs/dbraw/zinc/31/27/84/384312784.db2.gz VXNUKVSIHDRZRA-UHFFFAOYSA-N 0 0 204.147 2.440 50 0 BEAARN Cc1nc(-c2ccncc2)sc1C=O ZINC000012370597 384313196 /nfs/dbraw/zinc/31/31/96/384313196.db2.gz DBJGBXWDMYPPLF-UHFFFAOYSA-N 0 0 204.254 2.326 50 0 BEAARN COC(=O)c1[nH]c2cc(Cl)ccc2c1N ZINC000012417696 384318369 /nfs/dbraw/zinc/31/83/69/384318369.db2.gz XOYUMZOVXXTCSS-UHFFFAOYSA-N 0 0 224.647 2.190 50 0 BEAARN Cc1c[nH]cc1C(=O)NN1[C@H](C)CCC[C@@H]1C ZINC000408526057 384287599 /nfs/dbraw/zinc/28/75/99/384287599.db2.gz MGDMVJJBEQZFKB-PHIMTYICSA-N 0 0 235.331 2.231 50 0 BEAARN COC(=O)c1ccc(S[C@@H](C)C(C)C)nn1 ZINC000408524277 384289826 /nfs/dbraw/zinc/28/98/26/384289826.db2.gz RTCCGCYLLKXYNO-QMMMGPOBSA-N 0 0 240.328 2.400 50 0 BEAARN CCc1nc(C)ccc1OCc1nonc1C ZINC000408525263 384290954 /nfs/dbraw/zinc/29/09/54/384290954.db2.gz SLZJHNMLXYWFRT-UHFFFAOYSA-N 0 0 233.271 2.223 50 0 BEAARN C=CC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 ZINC000408525870 384291161 /nfs/dbraw/zinc/29/11/61/384291161.db2.gz BCVHQYLHMKPKEU-LLVKDONJSA-N 0 0 233.315 2.144 50 0 BEAARN c1nn(CC[C@@H]2CCCO2)c2cccnc12 ZINC000408525176 384291193 /nfs/dbraw/zinc/29/11/93/384291193.db2.gz ORBYXBAQSIYWJI-JTQLQIEISA-N 0 0 217.272 2.000 50 0 BEAARN O=C(Nc1cccc(F)c1)[C@@H]1CCC(=O)C1 ZINC000335506771 384296839 /nfs/dbraw/zinc/29/68/39/384296839.db2.gz CLIYRYSGVINQIE-MRVPVSSYSA-N 0 0 221.231 2.133 50 0 BEAARN O=[S@](CCO)[C@H]1CCc2c1cccc2Cl ZINC000097046691 384299481 /nfs/dbraw/zinc/29/94/81/384299481.db2.gz NKWTVLVMSIYANC-NHYWBVRUSA-N 0 0 244.743 2.068 50 0 BEAARN Nc1nonc1-c1ccc(Br)cc1 ZINC000011916182 384300348 /nfs/dbraw/zinc/30/03/48/384300348.db2.gz QWSVUZLCBMDUQJ-UHFFFAOYSA-N 0 0 240.060 2.081 50 0 BEAARN C[C@H](NC(=O)NCC1CC1)c1ccccc1 ZINC000057536046 384301924 /nfs/dbraw/zinc/30/19/24/384301924.db2.gz LCENRITYTJNFJP-JTQLQIEISA-N 0 0 218.300 2.457 50 0 BEAARN COC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000012908894 384341103 /nfs/dbraw/zinc/34/11/03/384341103.db2.gz SPAAUUYJRNLHLI-MRVPVSSYSA-N 0 0 226.659 2.064 50 0 BEAARN Cc1cccc(C(=O)Nc2ccon2)c1 ZINC000013745718 384373657 /nfs/dbraw/zinc/37/36/57/384373657.db2.gz SDWHJPYLQMSGPV-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN O=CNc1cccc(Br)c1 ZINC000012957231 384344689 /nfs/dbraw/zinc/34/46/89/384344689.db2.gz QYYDYYDGGZJJCS-UHFFFAOYSA-N 0 0 200.035 2.017 50 0 BEAARN O=Cc1cnc2cc[nH]c(C(F)(F)F)c1-2 ZINC000044700161 384354691 /nfs/dbraw/zinc/35/46/91/384354691.db2.gz IPLAFEFDZYQZSQ-UHFFFAOYSA-N 0 0 214.146 2.394 50 0 BEAARN O=C(Nc1nnc(C2CC2)s1)c1cccnc1 ZINC000013330517 384354889 /nfs/dbraw/zinc/35/48/89/384354889.db2.gz RPPHESCBLYNFAK-UHFFFAOYSA-N 0 0 246.295 2.063 50 0 BEAARN CS[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000096119994 384355492 /nfs/dbraw/zinc/35/54/92/384355492.db2.gz UBBAVMXIVOGSHT-NSHDSACASA-N 0 0 239.315 2.403 50 0 BEAARN C[N@@H+](Cc1cccnc1)C[C@H]1CCC=CO1 ZINC000097105557 384357860 /nfs/dbraw/zinc/35/78/60/384357860.db2.gz GCWAFGOKSWDAJA-CYBMUJFWSA-N 0 0 218.300 2.206 50 0 BEAARN Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000013483546 384362929 /nfs/dbraw/zinc/36/29/29/384362929.db2.gz AGQGPCQKCZTQJO-JTQLQIEISA-N 0 0 207.273 2.217 50 0 BEAARN Cc1ccc([C@H]2Cc3n[nH]cc3C(=O)C2)o1 ZINC000095117735 384365823 /nfs/dbraw/zinc/36/58/23/384365823.db2.gz YHSIPSHDHQIXJZ-QMMMGPOBSA-N 0 0 216.240 2.224 50 0 BEAARN Cc1ccc([C@@H]2CC(=O)c3ccc(=O)[nH]c3C2)o1 ZINC000095117755 384366247 /nfs/dbraw/zinc/36/62/47/384366247.db2.gz ZKZUFHIQIHTLTO-VIFPVBQESA-N 0 0 243.262 2.189 50 0 BEAARN CO[C@@H]1O[C@@H](OC)[C@H]2CC[C@H]3CC[C@@H]1[C@H]32 ZINC000101140028 384367222 /nfs/dbraw/zinc/36/72/22/384367222.db2.gz AMOOOPHHDBJPLB-PQTSNVLCSA-N 0 0 212.289 2.014 50 0 BEAARN Cc1ccc(C)c(O[C@H](C)C(=O)NC2CC2)c1 ZINC000013710445 384368465 /nfs/dbraw/zinc/36/84/65/384368465.db2.gz WDNBWRWBOQFFPS-LLVKDONJSA-N 0 0 233.311 2.349 50 0 BEAARN Cc1ccc(C)c(O[C@H](C)C(=O)N(C)C)c1 ZINC000013710135 384369929 /nfs/dbraw/zinc/36/99/29/384369929.db2.gz SJVJVWWASATPJG-LLVKDONJSA-N 0 0 221.300 2.159 50 0 BEAARN c1cn(CCCNc2nnc(C3CCC3)o2)cn1 ZINC000095390344 384371164 /nfs/dbraw/zinc/37/11/64/384371164.db2.gz DOVUYZCGXIZKCR-UHFFFAOYSA-N 0 0 247.302 2.036 50 0 BEAARN Cc1ccnc(N[C@H](c2nccn2C)C(C)C)n1 ZINC000095389401 384372371 /nfs/dbraw/zinc/37/23/71/384372371.db2.gz NJOXZHHCGGQLTG-NSHDSACASA-N 0 0 245.330 2.328 50 0 BEAARN Cc1nc(C)c(C)c(NC[C@H]2CCCCO2)n1 ZINC000095370734 384372573 /nfs/dbraw/zinc/37/25/73/384372573.db2.gz MJALWTKBSWMCGO-GFCCVEGCSA-N 0 0 235.331 2.383 50 0 BEAARN CC[C@@H](C)n1ncc2c1[nH]c(=O)cc2C ZINC000012505316 384323317 /nfs/dbraw/zinc/32/33/17/384323317.db2.gz BLWGJZHWFQZNJY-MRVPVSSYSA-N 0 0 205.261 2.004 50 0 BEAARN Cc1nnc(NCCCN(C)c2ccccc2)o1 ZINC000095383505 384372857 /nfs/dbraw/zinc/37/28/57/384372857.db2.gz IPGZLJQWAAKOBB-UHFFFAOYSA-N 0 0 246.314 2.316 50 0 BEAARN c1cnc2cc(NC[C@H]3CCOC3)ccc2n1 ZINC000032592832 384325206 /nfs/dbraw/zinc/32/52/06/384325206.db2.gz DXNFMVJDJUPQDH-SNVBAGLBSA-N 0 0 229.283 2.078 50 0 BEAARN Cc1cc(-c2nc(-c3ccccn3)no2)on1 ZINC000095394398 384331963 /nfs/dbraw/zinc/33/19/63/384331963.db2.gz OOKMRHOWVQDSQC-UHFFFAOYSA-N 0 0 228.211 2.095 50 0 BEAARN Cc1ccc(C)c(Oc2nn(C)cc2N)c1 ZINC000095836613 384402934 /nfs/dbraw/zinc/40/29/34/384402934.db2.gz HCILRUZVKSDNEM-UHFFFAOYSA-N 0 0 217.272 2.411 50 0 BEAARN O=C1N=C2C=CC=CN2[C@H]1c1ccccc1 ZINC000101366419 384403735 /nfs/dbraw/zinc/40/37/35/384403735.db2.gz GOSNEJZQDVQWTH-LBPRGKRZSA-N 0 0 210.236 2.052 50 0 BEAARN CC(C)(C)OC(=O)NCc1ccccc1CO ZINC000095930436 384409803 /nfs/dbraw/zinc/40/98/03/384409803.db2.gz DKGGBZVYBKJFBX-UHFFFAOYSA-N 0 0 237.299 2.204 50 0 BEAARN Cc1ocnc1C(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077505535 384410302 /nfs/dbraw/zinc/41/03/02/384410302.db2.gz WZUHTKBWMDZWCB-DCAQKATOSA-N 0 0 234.299 2.292 50 0 BEAARN O=c1cc(C(F)(F)F)cc(Br)[nH]1 ZINC000095930372 384411150 /nfs/dbraw/zinc/41/11/50/384411150.db2.gz HEJJLKHHMBHKOX-UHFFFAOYSA-N 0 0 241.994 2.156 50 0 BEAARN Ic1cnc2cc[nH]cc1-2 ZINC000014985670 384411812 /nfs/dbraw/zinc/41/18/12/384411812.db2.gz AGKRAGHEIVZOID-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN COc1ncccc1C(=O)Nc1cccc(F)c1 ZINC000032755160 384376465 /nfs/dbraw/zinc/37/64/65/384376465.db2.gz FZAMMTSCIWVYCW-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COC(=O)c1c[nH]c2nc(Cl)ccc12 ZINC000095626744 384383177 /nfs/dbraw/zinc/38/31/77/384383177.db2.gz FBHORVVBJUWNMG-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC(=O)c1cccc2nc(C)sc21 ZINC000045236472 384384112 /nfs/dbraw/zinc/38/41/12/384384112.db2.gz MJNXLPDXVUYYQG-UHFFFAOYSA-N 0 0 207.254 2.391 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC2(CC(=O)C2)C1 ZINC000076914373 384387285 /nfs/dbraw/zinc/38/72/85/384387285.db2.gz HKTGLPAHDGZQDV-UHFFFAOYSA-N 0 0 239.315 2.367 50 0 BEAARN CC(C)(C)OC(=O)[C@@H]1N[C@@H]1c1ccccc1 ZINC000095644396 384387758 /nfs/dbraw/zinc/38/77/58/384387758.db2.gz SJENAWGNJMLOIZ-GHMZBOCLSA-N 0 0 219.284 2.041 50 0 BEAARN CC(=O)c1c(O)cc(Br)cc1F ZINC000095642959 384387865 /nfs/dbraw/zinc/38/78/65/384387865.db2.gz XBMQVSSFLZUGNA-UHFFFAOYSA-N 0 0 233.036 2.496 50 0 BEAARN Cc1cccc(N2CCC[C@@H](c3cn[nH]c3)C2)n1 ZINC000097163281 384388442 /nfs/dbraw/zinc/38/84/42/384388442.db2.gz LVFVFDCFUHAWRX-GFCCVEGCSA-N 0 0 242.326 2.497 50 0 BEAARN C[C@H]1OCc2c1nc(Cl)nc2Cl ZINC000095704788 384389943 /nfs/dbraw/zinc/38/99/43/384389943.db2.gz YJPKTOFGMNIWTF-GSVOUGTGSA-N 0 0 205.044 2.375 50 0 BEAARN COC(=O)Cc1cc(F)ccc1Br ZINC000095739033 384390247 /nfs/dbraw/zinc/39/02/47/384390247.db2.gz VLNQKVAXLYLSKB-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN c1ccc(CSc2nnc(C3CC3)[nH]2)nc1 ZINC000032908018 384446166 /nfs/dbraw/zinc/44/61/66/384446166.db2.gz YDKZNGURXMXBIL-UHFFFAOYSA-N 0 0 232.312 2.369 50 0 BEAARN COC(OC)c1csc(Br)n1 ZINC000096300071 384448961 /nfs/dbraw/zinc/44/89/61/384448961.db2.gz XWSARUSTBIZSML-UHFFFAOYSA-N 0 0 238.106 2.197 50 0 BEAARN CC(C)n1cc(-c2nc([C@H]3CCOC3)no2)cn1 ZINC000096161837 384441105 /nfs/dbraw/zinc/44/11/05/384441105.db2.gz HFDHHYMZHYFAGP-VIFPVBQESA-N 0 0 248.286 2.018 50 0 BEAARN O=Cc1c[nH]c2nccc(Br)c12 ZINC000016678071 384464753 /nfs/dbraw/zinc/46/47/53/384464753.db2.gz GVJOYNDJFISGTG-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN Cc1ccc([C@H](C(=O)[O-])[NH+]2CCCC2)cc1 ZINC000016739302 384467180 /nfs/dbraw/zinc/46/71/80/384467180.db2.gz GLVCZQPNGPMPNZ-GFCCVEGCSA-N 0 0 219.284 2.217 50 0 BEAARN O=C1CCN1c1ccc(Br)cc1 ZINC000104839547 384475794 /nfs/dbraw/zinc/47/57/94/384475794.db2.gz OWNBBRYHFWKSFA-UHFFFAOYSA-N 0 0 226.073 2.186 50 0 BEAARN Nc1nnc(SCc2ccccc2)s1 ZINC000017024013 384478220 /nfs/dbraw/zinc/47/82/20/384478220.db2.gz BHIGBGKIAJJBGD-UHFFFAOYSA-N 0 0 223.326 2.413 50 0 BEAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CCCCC1 ZINC000018120674 384501385 /nfs/dbraw/zinc/50/13/85/384501385.db2.gz RWVJMBBLEMRYQC-VXGBXAGGSA-N 0 0 233.311 2.270 50 0 BEAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1 ZINC000018188460 384501714 /nfs/dbraw/zinc/50/17/14/384501714.db2.gz QARBRPHMSCDUIJ-UHFFFAOYSA-N 0 0 241.294 2.093 50 0 BEAARN CC(C)CC[C@@H](N)C(=O)OC(C)(C)C ZINC000136837242 384509078 /nfs/dbraw/zinc/50/90/78/384509078.db2.gz HOOQNKXHLQRRGH-SECBINFHSA-N 0 0 201.310 2.092 50 0 BEAARN O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCCCC1 ZINC000076938312 384509552 /nfs/dbraw/zinc/50/95/52/384509552.db2.gz VDPJEVYFQHDOKY-ZDUSSCGKSA-N 0 0 249.285 2.142 50 0 BEAARN COCCNC(=O)N1CC[C@H](C)c2ccccc21 ZINC000096998316 384488120 /nfs/dbraw/zinc/48/81/20/384488120.db2.gz OUWPEUKGJLIYCM-NSHDSACASA-N 0 0 248.326 2.356 50 0 BEAARN CCCc1n[nH]cc1C(=O)OCc1ccccn1 ZINC000096999156 384488802 /nfs/dbraw/zinc/48/88/02/384488802.db2.gz NHUFVMCIHRJQRI-UHFFFAOYSA-N 0 0 245.282 2.114 50 0 BEAARN O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1CC12CC2 ZINC000335065215 384523402 /nfs/dbraw/zinc/52/34/02/384523402.db2.gz VKUNXBTWEUZHHD-IUCAKERBSA-N 0 0 229.270 2.481 50 0 BEAARN CCCCNC(=O)c1ccnc(Cl)c1 ZINC000019813698 384541992 /nfs/dbraw/zinc/54/19/92/384541992.db2.gz YGEKXEPYAHXBFY-UHFFFAOYSA-N 0 0 212.680 2.265 50 0 BEAARN Nc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000019835248 384546306 /nfs/dbraw/zinc/54/63/06/384546306.db2.gz FUUQAUPFODNGDT-UHFFFAOYSA-N 0 0 221.285 2.259 50 0 BEAARN CSCC(=O)Nc1ccc(F)cc1C ZINC000032994700 384561108 /nfs/dbraw/zinc/56/11/08/384561108.db2.gz CVJUKTKLXYWQNB-UHFFFAOYSA-N 0 0 213.277 2.436 50 0 BEAARN Cc1noc(-c2nc(-c3ccccc3C)no2)n1 ZINC000098212314 384604509 /nfs/dbraw/zinc/60/45/09/384604509.db2.gz WJSWWYQNJQBKOZ-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN O=C1NCCCc2[nH]c3ccc(Cl)cc3c21 ZINC000098209741 384604960 /nfs/dbraw/zinc/60/49/60/384604960.db2.gz YSPDXNKLMDXYMC-UHFFFAOYSA-N 0 0 234.686 2.497 50 0 BEAARN O=c1cc(-c2cccc3ccccc32)[nH][nH]1 ZINC000100028484 384611317 /nfs/dbraw/zinc/61/13/17/384611317.db2.gz JLGACJLKEKRJJK-UHFFFAOYSA-N 0 0 210.236 2.064 50 0 BEAARN O=c1cc(CSc2ccc(Cl)cc2)[nH][nH]1 ZINC000100127867 384618570 /nfs/dbraw/zinc/61/85/70/384618570.db2.gz NWIYVZZDWHHYGV-UHFFFAOYSA-N 0 0 240.715 2.308 50 0 BEAARN Nc1ccccc1-c1nc2ccccc2c(=O)o1 ZINC000100263204 384627428 /nfs/dbraw/zinc/62/74/28/384627428.db2.gz NSEDDEBVJPEPRI-UHFFFAOYSA-N 0 0 238.246 2.437 50 0 BEAARN Cc1noc(CNc2ccc(F)cc2C)n1 ZINC000248028517 384591309 /nfs/dbraw/zinc/59/13/09/384591309.db2.gz OJPHZOOHFYOPIU-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Cc1nc(-c2ccc(C(N)=O)cc2)cs1 ZINC000000313371 384663184 /nfs/dbraw/zinc/66/31/84/384663184.db2.gz SCTZXDBOUFCRFQ-UHFFFAOYSA-N 0 0 218.281 2.217 50 0 BEAARN COC(=O)c1cc2sccc2c(O)c1 ZINC000082319705 384666423 /nfs/dbraw/zinc/66/64/23/384666423.db2.gz IRAYMNSJGYCOHV-UHFFFAOYSA-N 0 0 208.238 2.394 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCOC1 ZINC000082337163 384669788 /nfs/dbraw/zinc/66/97/88/384669788.db2.gz LNAGLHNDIUPFLM-DGCLKSJQSA-N 0 0 245.322 2.391 50 0 BEAARN CCCCNc1cc(C)oc(=O)c1C(C)=O ZINC000100344705 384635942 /nfs/dbraw/zinc/63/59/42/384635942.db2.gz YFAUCIKFNUPZKN-UHFFFAOYSA-N 0 0 223.272 2.363 50 0 BEAARN CC(=O)C(SCc1ccccc1)=C(C)O ZINC000100484428 384642961 /nfs/dbraw/zinc/64/29/61/384642961.db2.gz BQBHNYXOXPLCDV-UHFFFAOYSA-N 0 0 222.309 2.466 50 0 BEAARN Cc1ccc(C2CC(=O)CC(=O)C2)s1 ZINC000100783219 384653867 /nfs/dbraw/zinc/65/38/67/384653867.db2.gz JYTHSEDFCHJXEK-UHFFFAOYSA-N 0 0 208.282 2.462 50 0 BEAARN O=C(c1ccc2[nH]ccc2c1)n1ccnc1 ZINC000082271178 384657250 /nfs/dbraw/zinc/65/72/50/384657250.db2.gz JBQFYAUWXVNKMW-UHFFFAOYSA-N 0 0 211.224 2.053 50 0 BEAARN Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000082305309 384662050 /nfs/dbraw/zinc/66/20/50/384662050.db2.gz MADJWEUNBYTMSF-UHFFFAOYSA-N 0 0 239.340 2.375 50 0 BEAARN CCCCN(C)C(=O)Cc1ccccc1O ZINC000072063737 384690839 /nfs/dbraw/zinc/69/08/39/384690839.db2.gz BUKHBTGWEIMSRN-UHFFFAOYSA-N 0 0 221.300 2.193 50 0 BEAARN CN(CC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000075915923 384694879 /nfs/dbraw/zinc/69/48/79/384694879.db2.gz FBDNQVRPPKMORQ-UHFFFAOYSA-N 0 0 240.306 2.275 50 0 BEAARN CCOCCC(=O)NCCc1cc(C)cc(C)c1 ZINC000076368826 384696232 /nfs/dbraw/zinc/69/62/32/384696232.db2.gz KJTTVIMATHDZTI-UHFFFAOYSA-N 0 0 249.354 2.389 50 0 BEAARN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)COC ZINC000078228063 384708265 /nfs/dbraw/zinc/70/82/65/384708265.db2.gz SHTCUOPJGKLMTR-CQSZACIVSA-N 0 0 249.354 2.421 50 0 BEAARN CC(C)N(C(=O)c1ccoc1)C1CCOCC1 ZINC000078182278 384708438 /nfs/dbraw/zinc/70/84/38/384708438.db2.gz HSPOPYVKVADFGO-UHFFFAOYSA-N 0 0 237.299 2.309 50 0 BEAARN CC(C)(C)OC(=O)N=c1ccs[nH]1 ZINC000143171701 384717617 /nfs/dbraw/zinc/71/76/17/384717617.db2.gz JDQPAFHESRAVIQ-UHFFFAOYSA-N 0 0 200.263 2.490 50 0 BEAARN C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790238 384776288 /nfs/dbraw/zinc/77/62/88/384776288.db2.gz HYJIIKMUEZCEON-KOLCDFICSA-N 0 0 237.274 2.293 50 0 BEAARN Cc1nc(CN(C)Cc2cccnc2N)cs1 ZINC000052726679 384746843 /nfs/dbraw/zinc/74/68/43/384746843.db2.gz MXYIGTNMQKFZPR-UHFFFAOYSA-N 0 0 248.355 2.061 50 0 BEAARN Cc1occc1-c1nc(-c2cnccn2)no1 ZINC000084510438 384759252 /nfs/dbraw/zinc/75/92/52/384759252.db2.gz LHLOICTXFBAIKF-UHFFFAOYSA-N 0 0 228.211 2.095 50 0 BEAARN c1csc(-c2nc(-c3cnccn3)no2)c1 ZINC000084512243 384759836 /nfs/dbraw/zinc/75/98/36/384759836.db2.gz JKBSNIXUKWSMRN-UHFFFAOYSA-N 0 0 230.252 2.255 50 0 BEAARN Cc1ccc2nc(-c3ccccn3)[nH]c2n1 ZINC000071257697 384761936 /nfs/dbraw/zinc/76/19/36/384761936.db2.gz VKKQGCUBYOGPLE-UHFFFAOYSA-N 0 0 210.240 2.328 50 0 BEAARN Cn1cc(CN2CCC(C(F)(F)F)CC2)cn1 ZINC000174184317 384762713 /nfs/dbraw/zinc/76/27/13/384762713.db2.gz WAJLZDZJKBIVCV-UHFFFAOYSA-N 0 0 247.264 2.194 50 0 BEAARN CC(C)COC[C@H](C)NC(=O)C1CCCC1 ZINC000071924329 384818999 /nfs/dbraw/zinc/81/89/99/384818999.db2.gz ROZAQOPQBLNZRC-NSHDSACASA-N 0 0 227.348 2.354 50 0 BEAARN Cc1ccc(C)c(C(=O)Nc2ccn(C)n2)c1 ZINC000024473618 384821451 /nfs/dbraw/zinc/82/14/51/384821451.db2.gz QOQSUOQGEJYFTP-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN CC(=O)c1ccccc1NCc1nc(C)no1 ZINC000024661977 384828037 /nfs/dbraw/zinc/82/80/37/384828037.db2.gz BREKGJYTBVKUHA-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN OCc1ccnc(NC2CCCCCC2)n1 ZINC000310027406 384793760 /nfs/dbraw/zinc/79/37/60/384793760.db2.gz PZZOPLADVYBJMO-UHFFFAOYSA-N 0 0 221.304 2.104 50 0 BEAARN O=C(CN1CCCC1)Nc1ccc(Cl)cc1 ZINC000003200293 384794906 /nfs/dbraw/zinc/79/49/06/384794906.db2.gz CLRHPZQZTGPRDZ-UHFFFAOYSA-N 0 0 238.718 2.374 50 0 BEAARN Nc1cnc(-c2ccc(Cl)cc2)cn1 ZINC000083891361 384812388 /nfs/dbraw/zinc/81/23/88/384812388.db2.gz LGVCMQGHHBAYBA-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN COC(=O)c1ccc(F)c(NC(=O)C(C)C)c1 ZINC000026496808 384877386 /nfs/dbraw/zinc/87/73/86/384877386.db2.gz PANBUGYRELJCJS-UHFFFAOYSA-N 0 0 239.246 2.207 50 0 BEAARN Cn1ncc2c1CCC[C@@H]2NC(=O)CC(C)(C)C ZINC000024993472 384839023 /nfs/dbraw/zinc/83/90/23/384839023.db2.gz VARLLVFHNSWGAH-NSHDSACASA-N 0 0 249.358 2.350 50 0 BEAARN CC(C)CCCNC(=O)c1ccc2n[nH]nc2c1 ZINC000025314066 384845302 /nfs/dbraw/zinc/84/53/02/384845302.db2.gz PMWNDMDZSNONDJ-UHFFFAOYSA-N 0 0 246.314 2.124 50 0 BEAARN COc1cc(F)c(Br)cc1N ZINC000084199297 384847618 /nfs/dbraw/zinc/84/76/18/384847618.db2.gz YAGABDLQAULCFZ-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN COc1ccc(NC(=O)/C=C(\C)C2CC2)cn1 ZINC000054860685 384858824 /nfs/dbraw/zinc/85/88/24/384858824.db2.gz UDBHZGXRRYLQQW-VQHVLOKHSA-N 0 0 232.283 2.385 50 0 BEAARN CC(=O)c1ncc(Br)cc1C ZINC000084311977 384859427 /nfs/dbraw/zinc/85/94/27/384859427.db2.gz OAICIMNWBGAWRI-UHFFFAOYSA-N 0 0 214.062 2.355 50 0 BEAARN CSc1nc2nccc(-c3ccco3)n2n1 ZINC000057530964 384952802 /nfs/dbraw/zinc/95/28/02/384952802.db2.gz DUXQUXLKMMUQOQ-UHFFFAOYSA-N 0 0 232.268 2.106 50 0 BEAARN Cc1coc(SCc2ccc(C(N)=O)cc2)n1 ZINC000188435983 384955852 /nfs/dbraw/zinc/95/58/52/384955852.db2.gz CHJSLMHSYGIYOU-UHFFFAOYSA-N 0 0 248.307 2.374 50 0 BEAARN O=C(Nn1cnc2ccccc21)C1CCCC1 ZINC000027033672 384890644 /nfs/dbraw/zinc/89/06/44/384890644.db2.gz MWRJUPHJARQWMB-UHFFFAOYSA-N 0 0 229.283 2.297 50 0 BEAARN C[C@H]1S[C@H](c2ccc(F)cc2)NC1=O ZINC000000128945 384897159 /nfs/dbraw/zinc/89/71/59/384897159.db2.gz GIWCGQHJMAJOSI-LHLIQPBNSA-N 0 0 211.261 2.076 50 0 BEAARN c1nc2c(c(N3CCCC3)n1)CCCCC2 ZINC000095409797 384902003 /nfs/dbraw/zinc/90/20/03/384902003.db2.gz IKOWTZDXOWQZDW-UHFFFAOYSA-N 0 0 217.316 2.346 50 0 BEAARN O=C(/C=C\c1ccccc1)NO[C@H]1CCCCO1 ZINC000096315734 384902529 /nfs/dbraw/zinc/90/25/29/384902529.db2.gz PIAVDHSMEFIWFS-CMUBDUJZSA-N 0 0 247.294 2.274 50 0 BEAARN CCc1c(N)cnn1-c1cccc(C)c1 ZINC000085634366 384958730 /nfs/dbraw/zinc/95/87/30/384958730.db2.gz AWPGOVNRIOESAY-UHFFFAOYSA-N 0 0 201.273 2.325 50 0 BEAARN COC(=O)c1c(C)[nH]c(C)c1-c1ccno1 ZINC000012369426 384908133 /nfs/dbraw/zinc/90/81/33/384908133.db2.gz WROGBLNENSXCHI-UHFFFAOYSA-N 0 0 220.228 2.073 50 0 BEAARN C[C@@H](NC(=O)c1ccsc1)[C@H]1CCCO1 ZINC000027867618 384914358 /nfs/dbraw/zinc/91/43/58/384914358.db2.gz SFJKNDIVYVURHW-PSASIEDQSA-N 0 0 225.313 2.045 50 0 BEAARN C[C@@H](NC(=O)c1ccsc1)[C@@H]1CCCO1 ZINC000027867604 384915543 /nfs/dbraw/zinc/91/55/43/384915543.db2.gz SFJKNDIVYVURHW-SCZZXKLOSA-N 0 0 225.313 2.045 50 0 BEAARN O=C(CC1OCCO1)c1cc(F)c(F)c(F)c1 ZINC000085652265 384961090 /nfs/dbraw/zinc/96/10/90/384961090.db2.gz WKIOZZKBALIOQP-UHFFFAOYSA-N 0 0 246.184 2.050 50 0 BEAARN Clc1ccnc2cc(Br)nn21 ZINC000085224923 384927241 /nfs/dbraw/zinc/92/72/41/384927241.db2.gz ZCVVRHPFDQOMEF-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Cc1noc2nc(Cl)nc(Cl)c12 ZINC000085221006 384927929 /nfs/dbraw/zinc/92/79/29/384927929.db2.gz NPESVPRQWIQXCG-UHFFFAOYSA-N 0 0 204.016 2.233 50 0 BEAARN Cc1ccc(C)c(NC(=O)CNC(=O)C(C)C)c1 ZINC000057291730 384936496 /nfs/dbraw/zinc/93/64/96/384936496.db2.gz OGBNYZHKWHBPKO-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN O=c1[nH]ccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000057352253 384940112 /nfs/dbraw/zinc/94/01/12/384940112.db2.gz FXAIWBIJODBLIB-UHFFFAOYSA-N 0 0 245.669 2.343 50 0 BEAARN COC(=O)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000096491407 384943115 /nfs/dbraw/zinc/94/31/15/384943115.db2.gz XZYWTQCGIVUVCW-LLVKDONJSA-N 0 0 235.327 2.115 50 0 BEAARN O=C(CC1OCCO1)c1cccc(Cl)c1 ZINC000085652188 384960442 /nfs/dbraw/zinc/96/04/42/384960442.db2.gz ZBGFDFQYQLRREQ-UHFFFAOYSA-N 0 0 226.659 2.286 50 0 BEAARN CC(C)(C(=O)N1CCC1)c1ccccc1 ZINC000072277087 384965795 /nfs/dbraw/zinc/96/57/95/384965795.db2.gz ZOQNCTBPYURYIC-UHFFFAOYSA-N 0 0 203.285 2.197 50 0 BEAARN CSCCCNC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000127960222 384972658 /nfs/dbraw/zinc/97/26/58/384972658.db2.gz ZXUQNRJDPHHSEW-MNOVXSKESA-N 0 0 244.404 2.427 50 0 BEAARN Clc1cnc2c(c1)n[nH]c2Br ZINC000085999803 384977509 /nfs/dbraw/zinc/97/75/09/384977509.db2.gz LCLYMFQWQQLDSJ-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CC(=O)N1N=C(c2ccc[nH]2)C[C@@H]1c1ccco1 ZINC000058047273 384978754 /nfs/dbraw/zinc/97/87/54/384978754.db2.gz LRTPOBYXGBZPIY-GFCCVEGCSA-N 0 0 243.266 2.305 50 0 BEAARN Cc1ccc(CN(C)CC(=O)NC(C)C)c(C)c1 ZINC000058062889 384982532 /nfs/dbraw/zinc/98/25/32/384982532.db2.gz ZGRZWHVVLFKJLG-UHFFFAOYSA-N 0 0 248.370 2.260 50 0 BEAARN O=C1OC(c2ccco2)=N/C1=C/c1ccco1 ZINC000000430269 384989778 /nfs/dbraw/zinc/98/97/78/384989778.db2.gz RWLFUPQCUCDQER-VQHVLOKHSA-N 0 0 229.191 2.217 50 0 BEAARN Clc1cccc(OCCCn2ccnn2)c1 ZINC000128073127 384991090 /nfs/dbraw/zinc/99/10/90/384991090.db2.gz IIUNNSSAMDJKJS-UHFFFAOYSA-N 0 0 237.690 2.401 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)CSC(F)(F)F ZINC000058266625 384992886 /nfs/dbraw/zinc/99/28/86/384992886.db2.gz VVIWXMAHNPFCNU-LURJTMIESA-N 0 0 241.278 2.496 50 0 BEAARN Cc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)no1 ZINC000058307066 384994777 /nfs/dbraw/zinc/99/47/77/384994777.db2.gz YPOSZVKSJYSVFG-SECBINFHSA-N 0 0 224.304 2.490 50 0 BEAARN O=C(/C=C/c1ccccc1)NO[C@@H]1CCCCO1 ZINC000058330695 384995515 /nfs/dbraw/zinc/99/55/15/384995515.db2.gz PIAVDHSMEFIWFS-ATWMFIQVSA-N 0 0 247.294 2.274 50 0 BEAARN CCO[C@H](C)C(=O)NCc1sccc1C ZINC000058330593 384995702 /nfs/dbraw/zinc/99/57/02/384995702.db2.gz JLOFDTUGOQUDQB-SECBINFHSA-N 0 0 227.329 2.098 50 0 BEAARN Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cnn1C ZINC000058290933 384995802 /nfs/dbraw/zinc/99/58/02/384995802.db2.gz BWOJCSAHYVCLNS-GXFFZTMASA-N 0 0 249.358 2.379 50 0 BEAARN Cc1ncsc1C(=O)N(C)[C@H](C)C1CC1 ZINC000058283493 384997384 /nfs/dbraw/zinc/99/73/84/384997384.db2.gz BVKVTOXEFCBBBM-MRVPVSSYSA-N 0 0 224.329 2.322 50 0 BEAARN O=C(/C=C\c1ccncc1)NC1CCCC1 ZINC000098054489 385007093 /nfs/dbraw/zinc/00/70/93/385007093.db2.gz IQRZFVUWMHKDGJ-WAYWQWQTSA-N 0 0 216.284 2.154 50 0 BEAARN Cc1noc([C@@H](C)NC(=O)Nc2ccccc2)n1 ZINC000058439284 385007660 /nfs/dbraw/zinc/00/76/60/385007660.db2.gz GKDSZUAHMZKJBB-MRVPVSSYSA-N 0 0 246.270 2.261 50 0 BEAARN C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445789 385017274 /nfs/dbraw/zinc/01/72/74/385017274.db2.gz QGBYAHVRAJXYBH-VHSXEESVSA-N 0 0 237.274 2.293 50 0 BEAARN Cc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000005120548 385020449 /nfs/dbraw/zinc/02/04/49/385020449.db2.gz KFZBUVUVJJWITG-UHFFFAOYSA-N 0 0 241.356 2.380 50 0 BEAARN FC(F)Oc1cc(Br)ccn1 ZINC000059581566 385052506 /nfs/dbraw/zinc/05/25/06/385052506.db2.gz QKZHLBZNEBCOLM-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN Cc1noc(C)c1C(=O)NCc1ccccc1 ZINC000003105232 385054840 /nfs/dbraw/zinc/05/48/40/385054840.db2.gz GIMCMADGNGMRAZ-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN O=C1COCc2cc(Br)ccc21 ZINC000060112684 385067919 /nfs/dbraw/zinc/06/79/19/385067919.db2.gz ASAGKWXSKFPRQW-UHFFFAOYSA-N 0 0 227.057 2.162 50 0 BEAARN COC(=O)c1cc2c(cc(Cl)nc2OC)[nH]1 ZINC000030677894 385026504 /nfs/dbraw/zinc/02/65/04/385026504.db2.gz OUFHVWNPQDQNCK-UHFFFAOYSA-N 0 0 240.646 2.012 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2occc21 ZINC000255561258 385038743 /nfs/dbraw/zinc/03/87/43/385038743.db2.gz RCFKXNULFSPASJ-IEBDPFPHSA-N 0 0 219.284 2.429 50 0 BEAARN CSC[C@H](C)C(=O)Nc1cc(C)ns1 ZINC000176416063 385109703 /nfs/dbraw/zinc/10/97/03/385109703.db2.gz OHDXMOOIJIAXAZ-LURJTMIESA-N 0 0 230.358 2.389 50 0 BEAARN CSCC[C@@H](C)NC(=O)c1ccccc1O ZINC000096412313 385122873 /nfs/dbraw/zinc/12/28/73/385122873.db2.gz TYSUDDXKPJVCRB-SECBINFHSA-N 0 0 239.340 2.264 50 0 BEAARN COC(=O)Cc1ccc(Cl)cc1F ZINC000095147722 385126989 /nfs/dbraw/zinc/12/69/89/385126989.db2.gz BXJHRIVXFGIFQG-UHFFFAOYSA-N 0 0 202.612 2.195 50 0 BEAARN CC(C)(C)[NH2+]Cc1ccc(OCC(=O)[O-])cc1 ZINC000062716774 385086207 /nfs/dbraw/zinc/08/62/07/385086207.db2.gz NVVZCPTWNIMBEB-UHFFFAOYSA-N 0 0 237.299 2.038 50 0 BEAARN C[C@H](Nc1ccc(F)cc1)c1nncn1C ZINC000287138990 385097777 /nfs/dbraw/zinc/09/77/77/385097777.db2.gz HKBCZEQEHGUHJR-QMMMGPOBSA-N 0 0 220.251 2.127 50 0 BEAARN CCONC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000048324727 385183929 /nfs/dbraw/zinc/18/39/29/385183929.db2.gz PLDKEUMNXBDNMY-NXEZZACHSA-N 0 0 211.305 2.293 50 0 BEAARN CCONC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000048324724 385184564 /nfs/dbraw/zinc/18/45/64/385184564.db2.gz PLDKEUMNXBDNMY-UWVGGRQHSA-N 0 0 211.305 2.293 50 0 BEAARN Cc1ccnc(NC(=O)C[C@H]2C=CCC2)n1 ZINC000032859929 385187455 /nfs/dbraw/zinc/18/74/55/385187455.db2.gz RFRGJRBBNXCTRF-JTQLQIEISA-N 0 0 217.272 2.080 50 0 BEAARN Cc1cc(C)c(C(=O)Nc2cnns2)o1 ZINC000189566089 385195661 /nfs/dbraw/zinc/19/56/61/385195661.db2.gz LLVJZRZYCTZULD-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN C[C@@H](O)CN(Cc1ccccn1)c1ccccc1 ZINC000096424174 385162434 /nfs/dbraw/zinc/16/24/34/385162434.db2.gz YXKZUWCSNNFCOH-CYBMUJFWSA-N 0 0 242.322 2.469 50 0 BEAARN C[C@]1(CO)CCC[C@H]1Nc1cncc(Cl)n1 ZINC000096427236 385166411 /nfs/dbraw/zinc/16/64/11/385166411.db2.gz RXKUANIAFUEWSF-LDYMZIIASA-N 0 0 241.722 2.093 50 0 BEAARN C[C@@H](CO)S[C@@H](C)c1nc(C2CC2)no1 ZINC000096430370 385167976 /nfs/dbraw/zinc/16/79/76/385167976.db2.gz ZWRLOUUJVWGEAB-BQBZGAKWSA-N 0 0 228.317 2.122 50 0 BEAARN C[C@H](CO)SCc1ccnc(Cl)c1 ZINC000096430349 385168094 /nfs/dbraw/zinc/16/80/94/385168094.db2.gz FLDIBZLRXYYCCV-SSDOTTSWSA-N 0 0 217.721 2.349 50 0 BEAARN CO[C@H](C)CCOC(=O)c1scnc1Cl ZINC000096442902 385171449 /nfs/dbraw/zinc/17/14/49/385171449.db2.gz BAFVHGJHZSXWTM-ZCFIWIBFSA-N 0 0 249.719 2.378 50 0 BEAARN Nc1nc2cccc(Br)c2o1 ZINC000062525845 385175327 /nfs/dbraw/zinc/17/53/27/385175327.db2.gz QVSLAPQMRBWVBL-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN C[C@@H]1Oc2c(Br)cccc2NC1=O ZINC000062533510 385176183 /nfs/dbraw/zinc/17/61/83/385176183.db2.gz VHEPADRAYRQXLU-YFKPBYRVSA-N 0 0 242.072 2.169 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000031343618 385179447 /nfs/dbraw/zinc/17/94/47/385179447.db2.gz GRKQWTRDLYRPKY-KWQFWETISA-N 0 0 217.268 2.216 50 0 BEAARN O=C(CC1(O)CCCC1)N1CCC2(CCC2)C1 ZINC000158109659 385219598 /nfs/dbraw/zinc/21/95/98/385219598.db2.gz RSYHROLAZCHDCC-UHFFFAOYSA-N 0 0 237.343 2.084 50 0 BEAARN C[C@@H](Cc1ccc(Br)cc1)C(N)=O ZINC000096487409 385225458 /nfs/dbraw/zinc/22/54/58/385225458.db2.gz VNVHVVCGGLSQIF-ZETCQYMHSA-N 0 0 242.116 2.113 50 0 BEAARN CCc1ccc(NC(=O)[C@H](C)O)cc1CC ZINC000096492568 385230121 /nfs/dbraw/zinc/23/01/21/385230121.db2.gz CEBLXWWUQBZLKW-VIFPVBQESA-N 0 0 221.300 2.131 50 0 BEAARN C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(N)=O ZINC000096492354 385231260 /nfs/dbraw/zinc/23/12/60/385231260.db2.gz FJKYFTDBGHQDKQ-RNFRBKRXSA-N 0 0 244.697 2.004 50 0 BEAARN C[C@@H](N[C@@H](C)C(N)=O)c1c(F)cccc1Cl ZINC000096492351 385231717 /nfs/dbraw/zinc/23/17/17/385231717.db2.gz FJKYFTDBGHQDKQ-RQJHMYQMSA-N 0 0 244.697 2.004 50 0 BEAARN O=C(CO)N[C@H](CC1CCC1)c1ccccc1 ZINC000096496664 385232329 /nfs/dbraw/zinc/23/23/29/385232329.db2.gz KCTYEIHMPMYFGE-CYBMUJFWSA-N 0 0 233.311 2.026 50 0 BEAARN CCCCCN1CC(=O)N[C@@H]1c1cccs1 ZINC000096499997 385233427 /nfs/dbraw/zinc/23/34/27/385233427.db2.gz VRMVLAJVCULVJC-LBPRGKRZSA-N 0 0 238.356 2.369 50 0 BEAARN CCOc1cccc(CS[C@@H](C)[C@H](C)O)n1 ZINC000096501860 385237130 /nfs/dbraw/zinc/23/71/30/385237130.db2.gz RTIVVQCNMHZMME-UWVGGRQHSA-N 0 0 241.356 2.483 50 0 BEAARN Cc1cc(C(=O)Nc2ccccc2)no1 ZINC000000121955 385238376 /nfs/dbraw/zinc/23/83/76/385238376.db2.gz GTLOCKIDPCWRKU-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CC(C)CCNC(=S)Nc1ccccn1 ZINC000008683587 385250987 /nfs/dbraw/zinc/25/09/87/385250987.db2.gz URCIADWJZCLGRK-UHFFFAOYSA-N 0 0 223.345 2.414 50 0 BEAARN Nc1cc(-c2ccc3c(c2)OCO3)ccn1 ZINC000065374131 385303071 /nfs/dbraw/zinc/30/30/71/385303071.db2.gz IIQJMXVAZRVBLC-UHFFFAOYSA-N 0 0 214.224 2.060 50 0 BEAARN O=C1Nc2ccc(C3CCCC3)cc2C1=O ZINC000167226122 385304652 /nfs/dbraw/zinc/30/46/52/385304652.db2.gz OBMSQRRNSRJRBN-UHFFFAOYSA-N 0 0 215.252 2.479 50 0 BEAARN CCOc1ncccc1-c1cccc(N)n1 ZINC000065404167 385305755 /nfs/dbraw/zinc/30/57/55/385305755.db2.gz OUAKGVGHNASTPU-UHFFFAOYSA-N 0 0 215.256 2.125 50 0 BEAARN O=C1Nc2ccccc2N[C@H]1CC(F)(F)F ZINC000064370287 385262595 /nfs/dbraw/zinc/26/25/95/385262595.db2.gz QKWAESOVSXOSPL-QMMMGPOBSA-N 0 0 230.189 2.372 50 0 BEAARN COC(=O)c1cc(OC)nc2ccccc21 ZINC000034217386 385275925 /nfs/dbraw/zinc/27/59/25/385275925.db2.gz MCOOETCYPKUYLA-UHFFFAOYSA-N 0 0 217.224 2.030 50 0 BEAARN C[C@H](Cn1ccc2ccccc21)n1cnnc1 ZINC000065366061 385300360 /nfs/dbraw/zinc/30/03/60/385300360.db2.gz UWGUIIRVEWMXJP-LLVKDONJSA-N 0 0 226.283 2.494 50 0 BEAARN COCCc1ccccc1NC(=O)C1CC1 ZINC000189978092 385349232 /nfs/dbraw/zinc/34/92/32/385349232.db2.gz WVPNVIQSCKTPLB-UHFFFAOYSA-N 0 0 219.284 2.224 50 0 BEAARN FC(F)(F)c1ccnc(N2CCCC2)n1 ZINC000098004426 385351466 /nfs/dbraw/zinc/35/14/66/385351466.db2.gz SUVTZRNFRIWIID-UHFFFAOYSA-N 0 0 217.194 2.096 50 0 BEAARN O=C(/C=C\c1cccnc1)Nc1cccnc1 ZINC000098054444 385391837 /nfs/dbraw/zinc/39/18/37/385391837.db2.gz KLJNCMNSTPKNLE-WAYWQWQTSA-N 0 0 225.251 2.129 50 0 BEAARN COC(=O)c1c(C)c(O)ccc1Br ZINC000169620350 385414770 /nfs/dbraw/zinc/41/47/70/385414770.db2.gz HKSCERDOOWLXTJ-UHFFFAOYSA-N 0 0 245.072 2.250 50 0 BEAARN FC1(F)CN(c2ccc(Br)nc2)C1 ZINC000169725576 385418073 /nfs/dbraw/zinc/41/80/73/385418073.db2.gz ZJBXMTAPLWHQLF-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN Cc1ccccc1NC(=O)N(C)C[C@H]1CCOC1 ZINC000078438542 385529249 /nfs/dbraw/zinc/52/92/49/385529249.db2.gz NLPMGOMTTYJYTB-GFCCVEGCSA-N 0 0 248.326 2.495 50 0 BEAARN O=C(CC1CCOCC1)Nc1ccccc1 ZINC000082320553 385529692 /nfs/dbraw/zinc/52/96/92/385529692.db2.gz QJXUREGQTDQSGL-UHFFFAOYSA-N 0 0 219.284 2.442 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@@H]2CF)co1 ZINC000294176473 385519437 /nfs/dbraw/zinc/51/94/37/385519437.db2.gz SWSCNNAXKPOVQU-SNVBAGLBSA-N 0 0 211.236 2.162 50 0 BEAARN COc1ncccc1-c1cc(C)cnc1N ZINC000065370945 385628216 /nfs/dbraw/zinc/62/82/16/385628216.db2.gz BGHCANNRLRFVCW-UHFFFAOYSA-N 0 0 215.256 2.043 50 0 BEAARN Cc1cnn(CC2CC2)c1NC(=O)[C@H]1C[C@@H]1C ZINC000069137057 385680607 /nfs/dbraw/zinc/68/06/07/385680607.db2.gz BHPRHTUNUBTSRF-KWQFWETISA-N 0 0 233.315 2.196 50 0 BEAARN C[C@@H](NC(=O)CC1=CCCCC1)c1cn[nH]c1 ZINC000229960255 385693304 /nfs/dbraw/zinc/69/33/04/385693304.db2.gz MDEYMFHDXHFTQH-SNVBAGLBSA-N 0 0 233.315 2.477 50 0 BEAARN c1cnc(N2CC[C@H]3CCCC[C@H]32)nc1 ZINC000281712390 385694821 /nfs/dbraw/zinc/69/48/21/385694821.db2.gz CMMQXRKSPQXFTB-GHMZBOCLSA-N 0 0 203.289 2.246 50 0 BEAARN C[C@@H](NC(=O)c1ccco1)c1ccncc1 ZINC000001055533 385728315 /nfs/dbraw/zinc/72/83/15/385728315.db2.gz ASPILYMITHNICN-SECBINFHSA-N 0 0 216.240 2.166 50 0 BEAARN Fc1ccc2[nH]cc(CN3CCOCC3)c2c1 ZINC000257899563 385773148 /nfs/dbraw/zinc/77/31/48/385773148.db2.gz AUDBULMUMFRVHN-UHFFFAOYSA-N 0 0 234.274 2.139 50 0 BEAARN CC(C)CCNc1c(=O)c(=O)c1-c1ccccc1 ZINC000006749124 385833170 /nfs/dbraw/zinc/83/31/70/385833170.db2.gz ZMYONNIVNQCROQ-UHFFFAOYSA-N 0 0 243.306 2.408 50 0 BEAARN CCC1CCN(C(=O)C2(COC)CCC2)CC1 ZINC000330032166 385855622 /nfs/dbraw/zinc/85/56/22/385855622.db2.gz IZXQHJUXQOUYLK-UHFFFAOYSA-N 0 0 239.359 2.452 50 0 BEAARN C[C@@H](NC(=O)N1CCC1)c1nc2ccccc2[nH]1 ZINC000043834359 385899520 /nfs/dbraw/zinc/89/95/20/385899520.db2.gz MGZMEYOPBGRQDH-SECBINFHSA-N 0 0 244.298 2.039 50 0 BEAARN Cc1cc(C(=O)N2CCn3cccc3[C@@H]2C)no1 ZINC000057308403 385908249 /nfs/dbraw/zinc/90/82/49/385908249.db2.gz ILSXMVZPMPPOEJ-JTQLQIEISA-N 0 0 245.282 2.002 50 0 BEAARN Cc1nc(SCc2cn3ccccc3n2)n[nH]1 ZINC000012541056 385919839 /nfs/dbraw/zinc/91/98/39/385919839.db2.gz JHPAZVSYADUTIA-UHFFFAOYSA-N 0 0 245.311 2.053 50 0 BEAARN O=C1CCCN1C(=S)Nc1ccccc1 ZINC000071773331 385876961 /nfs/dbraw/zinc/87/69/61/385876961.db2.gz AXPLKNBWNJNUPU-UHFFFAOYSA-N 0 0 220.297 2.006 50 0 BEAARN CC(C)CC(=O)N1CCn2cccc2[C@@H]1C ZINC000032753025 385990637 /nfs/dbraw/zinc/99/06/37/385990637.db2.gz UARJCWKQXWKISK-NSHDSACASA-N 0 0 220.316 2.437 50 0 BEAARN O=C(/C=C\C1CC1)Nc1cc(F)ccc1O ZINC000221995793 386030538 /nfs/dbraw/zinc/03/05/38/386030538.db2.gz PUQOXAFEWVTMJK-UTCJRWHESA-N 0 0 221.231 2.436 50 0 BEAARN C[C@@H](Nc1cccc(CO)c1)[C@@H]1CCOC1 ZINC000183860436 386030754 /nfs/dbraw/zinc/03/07/54/386030754.db2.gz VQRAAVVQKBMLHM-ZYHUDNBSSA-N 0 0 221.300 2.016 50 0 BEAARN COc1cc(C=O)cc(OC(F)F)c1 ZINC000263623682 386157921 /nfs/dbraw/zinc/15/79/21/386157921.db2.gz JRKJWNMVLJVCGS-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN CCO[C@@H](C)n1ccc(Br)n1 ZINC000225322785 386185499 /nfs/dbraw/zinc/18/54/99/386185499.db2.gz OHHZDAOBJWTSPX-LURJTMIESA-N 0 0 219.082 2.201 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2ccncc2)o1 ZINC000023305498 386142225 /nfs/dbraw/zinc/14/22/25/386142225.db2.gz RCPDFSXBYKFRBF-JTQLQIEISA-N 0 0 230.267 2.474 50 0 BEAARN O=C1OCC[C@H]1Sc1ncccc1Cl ZINC000040493670 386213520 /nfs/dbraw/zinc/21/35/20/386213520.db2.gz ZYMKJRAJLHRKOA-SSDOTTSWSA-N 0 0 229.688 2.143 50 0 BEAARN Cc1nnc(NC(=O)Nc2ccccc2)s1 ZINC000001288640 386261468 /nfs/dbraw/zinc/26/14/68/386261468.db2.gz PWIAKUGDTDBTRX-UHFFFAOYSA-N 0 0 234.284 2.491 50 0 BEAARN O=C1c2ccccc2[C@H]2c3cccn3CCN12 ZINC000001395730 386214915 /nfs/dbraw/zinc/21/49/15/386214915.db2.gz QOWROVWPEFYPIP-ZDUSSCGKSA-N 0 0 224.263 2.047 50 0 BEAARN CCO[C@@H](C)C(=O)NCc1ccc(Cl)s1 ZINC000040534053 386217457 /nfs/dbraw/zinc/21/74/57/386217457.db2.gz CYNUCKHKZUCLMV-ZETCQYMHSA-N 0 0 247.747 2.443 50 0 BEAARN Fc1ccc(N2CCC(c3cc[nH]n3)CC2)nc1 ZINC000225818948 386219759 /nfs/dbraw/zinc/21/97/59/386219759.db2.gz RJWPTFVCDBKZBS-UHFFFAOYSA-N 0 0 246.289 2.328 50 0 BEAARN CNc1cc(C(N)=O)c(Cl)cc1Cl ZINC000225828216 386220665 /nfs/dbraw/zinc/22/06/65/386220665.db2.gz BHGWSPRLJDEKQS-UHFFFAOYSA-N 0 0 219.071 2.134 50 0 BEAARN Cc1ccc(CCN[C@@H](C)c2ncn(C)n2)cc1 ZINC000275599051 386224922 /nfs/dbraw/zinc/22/49/22/386224922.db2.gz RKVGCGLIYQZGHQ-LBPRGKRZSA-N 0 0 244.342 2.017 50 0 BEAARN CC/C=C(\C)C(=O)NCc1cccnc1 ZINC000046041271 386240332 /nfs/dbraw/zinc/24/03/32/386240332.db2.gz ATNNCEIDEPAORL-BJMVGYQFSA-N 0 0 204.273 2.054 50 0 BEAARN O=C(C1CC1)N1CCCC(c2ccccc2)=N1 ZINC000001403353 386241355 /nfs/dbraw/zinc/24/13/55/386241355.db2.gz CUIJWUQZLVJYRF-UHFFFAOYSA-N 0 0 228.295 2.423 50 0 BEAARN C[C@H](C(=O)NC1CCC1)n1cnc2ccccc21 ZINC000264573215 386249402 /nfs/dbraw/zinc/24/94/02/386249402.db2.gz XONADOXWDCEBTF-SNVBAGLBSA-N 0 0 243.310 2.266 50 0 BEAARN O=C(c1cc(F)c(F)cc1Cl)N1CCCO1 ZINC000125347862 386249611 /nfs/dbraw/zinc/24/96/11/386249611.db2.gz KVWWVTIVFIWFPN-UHFFFAOYSA-N 0 0 247.628 2.396 50 0 BEAARN COCc1cccc(C(=O)O[C@@H](C)COC)c1 ZINC000073835231 386349461 /nfs/dbraw/zinc/34/94/61/386349461.db2.gz RCFJMCQZUICAJH-JTQLQIEISA-N 0 0 238.283 2.025 50 0 BEAARN COCc1ccccc1C(=O)O[C@H](C)COC ZINC000073836746 386349501 /nfs/dbraw/zinc/34/95/01/386349501.db2.gz KWWUSUFZPUPFDB-SNVBAGLBSA-N 0 0 238.283 2.025 50 0 BEAARN Cc1cc(C)nc(N(C)Cc2nccs2)n1 ZINC000266809521 386469713 /nfs/dbraw/zinc/46/97/13/386469713.db2.gz FVJKBOKFQINAJN-UHFFFAOYSA-N 0 0 234.328 2.186 50 0 BEAARN Cc1ocnc1-c1noc(CC(C)C)n1 ZINC000277847128 386471284 /nfs/dbraw/zinc/47/12/84/386471284.db2.gz BBXMVINZHXVYEP-UHFFFAOYSA-N 0 0 207.233 2.232 50 0 BEAARN COC(=O)Cc1cccc(Br)c1F ZINC000238394188 386477598 /nfs/dbraw/zinc/47/75/98/386477598.db2.gz ALPXGXOFMZOFAG-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN c1nnc2c3ccccc3nc(-c3cccnc3)n12 ZINC000005904422 386491213 /nfs/dbraw/zinc/49/12/13/386491213.db2.gz VTGZVSCWQJJCDN-UHFFFAOYSA-N 0 0 247.261 2.340 50 0 BEAARN CSC1=N/C(=C/c2ccccc2)C(=O)N1C ZINC000005912540 386530137 /nfs/dbraw/zinc/53/01/37/386530137.db2.gz TUZDVWFPOBZFFC-CSKARUKUSA-N 0 0 232.308 2.219 50 0 BEAARN CCn1cnc2c1nc(Cl)nc2Cl ZINC000096311590 386595443 /nfs/dbraw/zinc/59/54/43/386595443.db2.gz PRESUDAFHFFHLT-UHFFFAOYSA-N 0 0 217.059 2.153 50 0 BEAARN C[C@@H](CS[C@@H]1CCNC1=O)c1ccccc1 ZINC000183330473 386596263 /nfs/dbraw/zinc/59/62/63/386596263.db2.gz OGOVVNNJGDIFGG-CMPLNLGQSA-N 0 0 235.352 2.412 50 0 BEAARN CSC[C@@H](C)C(=O)N1CCCOC(C)(C)C1 ZINC000242389331 386544502 /nfs/dbraw/zinc/54/45/02/386544502.db2.gz ZWHKTHNEIWWLAZ-SNVBAGLBSA-N 0 0 245.388 2.013 50 0 BEAARN O=C(/C=C\c1ccco1)NCc1cccnc1 ZINC000005932192 386620297 /nfs/dbraw/zinc/62/02/97/386620297.db2.gz NBOHOZOXFSNLGE-WAYWQWQTSA-N 0 0 228.251 2.004 50 0 BEAARN Cc1cc(C(=O)N2CCCC2)ccc1F ZINC000063059872 386659295 /nfs/dbraw/zinc/65/92/95/386659295.db2.gz CLDKJBUXTXUHPI-UHFFFAOYSA-N 0 0 207.248 2.370 50 0 BEAARN c1ncc(-c2nnc(C3CCCCC3)[nH]2)cn1 ZINC000229808467 386736158 /nfs/dbraw/zinc/73/61/58/386736158.db2.gz HBZQHVFVSRHFGM-UHFFFAOYSA-N 0 0 229.287 2.309 50 0 BEAARN Nc1nc(N2CCCCC2)nc2ccccc12 ZINC000086001054 386736803 /nfs/dbraw/zinc/73/68/03/386736803.db2.gz MDGLKMXWHKGENE-UHFFFAOYSA-N 0 0 228.299 2.202 50 0 BEAARN Cc1nc(C(=O)Nc2cccc(F)c2)co1 ZINC000022606348 386728088 /nfs/dbraw/zinc/72/80/88/386728088.db2.gz KGEZKHQNAFHODX-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CC(C)=C(F)c1nc(-c2ccon2)no1 ZINC000334149107 386749590 /nfs/dbraw/zinc/74/95/90/386749590.db2.gz GYJFHPIOWJIZKE-UHFFFAOYSA-N 0 0 209.180 2.445 50 0 BEAARN O=C(NC1CC1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000334560453 386803520 /nfs/dbraw/zinc/80/35/20/386803520.db2.gz OCRKYZKNOTXOHN-WCQYABFASA-N 0 0 219.259 2.150 50 0 BEAARN CN(CC1CCCCC1)C(=O)c1cnccn1 ZINC000012951533 386804694 /nfs/dbraw/zinc/80/46/94/386804694.db2.gz OCDFAQNRTCHHIW-UHFFFAOYSA-N 0 0 233.315 2.129 50 0 BEAARN Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)on1 ZINC000051996440 386810478 /nfs/dbraw/zinc/81/04/78/386810478.db2.gz LARYEZURLACHHL-QWHCGFSZSA-N 0 0 236.315 2.126 50 0 BEAARN CN(Cc1cccc(F)c1)C(=O)c1cccnc1 ZINC000033000188 386905475 /nfs/dbraw/zinc/90/54/75/386905475.db2.gz LUTQFJLMUJDLCI-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN Cc1cc(C(=O)NC2CC(C)(F)C2)ccn1 ZINC000334867014 386924023 /nfs/dbraw/zinc/92/40/23/386924023.db2.gz YJDANBMITYROIB-UHFFFAOYSA-N 0 0 222.263 2.010 50 0 BEAARN O=C(NC[C@H]1CCCC1(F)F)c1ccoc1 ZINC000334896934 386970641 /nfs/dbraw/zinc/97/06/41/386970641.db2.gz FSQLIOAKWUEGHK-SECBINFHSA-N 0 0 229.226 2.445 50 0 BEAARN Cc1ccn([C@@H](C)CC(=O)Nc2cc(C)on2)n1 ZINC000015733883 386971667 /nfs/dbraw/zinc/97/16/67/386971667.db2.gz PZKFNYCDFJBIAV-VIFPVBQESA-N 0 0 248.286 2.078 50 0 BEAARN COC(=O)c1cc(NC(=O)C(C)C)ccc1F ZINC000012934452 387034822 /nfs/dbraw/zinc/03/48/22/387034822.db2.gz IGTPFZUGBOQOGS-UHFFFAOYSA-N 0 0 239.246 2.207 50 0 BEAARN Cc1nc(CC(C)C)sc1C(=O)N1CCC1 ZINC000068095537 387100423 /nfs/dbraw/zinc/10/04/23/387100423.db2.gz CIFNCJCUFVOHOR-UHFFFAOYSA-N 0 0 238.356 2.496 50 0 BEAARN CN(C(=O)c1cc[nH]c1)c1ccc(F)cc1 ZINC000068290092 387103334 /nfs/dbraw/zinc/10/33/34/387103334.db2.gz AGHUMGSBHSEFDK-UHFFFAOYSA-N 0 0 218.231 2.430 50 0 BEAARN O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCC1 ZINC000336284940 387118928 /nfs/dbraw/zinc/11/89/28/387118928.db2.gz IKFIGNGXDAOQKO-AAEUAGOBSA-N 0 0 219.259 2.104 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000032981943 387145380 /nfs/dbraw/zinc/14/53/80/387145380.db2.gz LCAGTUYVRBIWJP-CMPLNLGQSA-N 0 0 203.285 2.267 50 0 BEAARN Cc1cc(C(=O)Nc2cnoc2)c(C)o1 ZINC000075170799 387155556 /nfs/dbraw/zinc/15/55/56/387155556.db2.gz ILSCLOKYXSMKNA-UHFFFAOYSA-N 0 0 206.201 2.137 50 0 BEAARN CCOc1ccccc1C(=O)Nc1cnoc1 ZINC000075170835 387156989 /nfs/dbraw/zinc/15/69/89/387156989.db2.gz KACVIVNWYAQHNE-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN CC[C@@H](C)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC000075337285 387168920 /nfs/dbraw/zinc/16/89/20/387168920.db2.gz SFXVZPNGLMSQSL-RKDXNWHRSA-N 0 0 235.331 2.063 50 0 BEAARN CN(c1nc(C2CC2)ns1)C1CCC1 ZINC000089365665 387171234 /nfs/dbraw/zinc/17/12/34/387171234.db2.gz IJIIIUXBDWPWIS-UHFFFAOYSA-N 0 0 209.318 2.404 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccs1 ZINC000033000381 387172442 /nfs/dbraw/zinc/17/24/42/387172442.db2.gz KWTJHNWOGRMQMV-WPRPVWTQSA-N 0 0 209.314 2.363 50 0 BEAARN Cc1cc(C)nc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000089599439 387180538 /nfs/dbraw/zinc/18/05/38/387180538.db2.gz NOMODSJDPNITDZ-TXEJJXNPSA-N 0 0 217.316 2.330 50 0 BEAARN C[C@@H]1[C@H](C)SCCN1C(=O)C1CCC1 ZINC000089920006 387188090 /nfs/dbraw/zinc/18/80/90/387188090.db2.gz SSPODGTZOLVENR-BDAKNGLRSA-N 0 0 213.346 2.139 50 0 BEAARN c1csc(CN2CCCSCC2)n1 ZINC000089982497 387188552 /nfs/dbraw/zinc/18/85/52/387188552.db2.gz MCJZVLVWRCGBAC-UHFFFAOYSA-N 0 0 214.359 2.082 50 0 BEAARN C[C@@H](NC(=O)N1CC(F)C1)c1ccccc1 ZINC000336391912 387221116 /nfs/dbraw/zinc/22/11/16/387221116.db2.gz YEHANBYBIVFKQA-SECBINFHSA-N 0 0 222.263 2.111 50 0 BEAARN Cc1cc(C(=O)NC2CCCCCC2)nn1C ZINC000064556498 387221197 /nfs/dbraw/zinc/22/11/97/387221197.db2.gz XTHOTOVEAQPUOU-UHFFFAOYSA-N 0 0 235.331 2.181 50 0 BEAARN CC(=O)Nc1ccnn1Cc1ccccc1F ZINC000095381544 387227054 /nfs/dbraw/zinc/22/70/54/387227054.db2.gz SRVNJQIVHDGAKJ-UHFFFAOYSA-N 0 0 233.246 2.029 50 0 BEAARN COC(=O)C(C)(C)CCC(C)(C)C(=O)OC ZINC000003074840 387248173 /nfs/dbraw/zinc/24/81/73/387248173.db2.gz CLZWWDIVPSKZIL-UHFFFAOYSA-N 0 0 230.304 2.165 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(O)c1 ZINC000033028970 387197656 /nfs/dbraw/zinc/19/76/56/387197656.db2.gz ROFVSPPLKSBBHZ-RKDXNWHRSA-N 0 0 205.257 2.295 50 0 BEAARN CCOC(=O)C1=C(O)[C@H](CC(C)C)CC1 ZINC000043199015 387274400 /nfs/dbraw/zinc/27/44/00/387274400.db2.gz JPMSKNVEMSYIPT-UWVGGRQHSA-N 0 0 212.289 2.191 50 0 BEAARN COC(CC[C@@H]1CC(=O)CC1(C)C)OC ZINC000045071807 387276523 /nfs/dbraw/zinc/27/65/23/387276523.db2.gz ILBBFBXUEPEHLR-SECBINFHSA-N 0 0 214.305 2.391 50 0 BEAARN C[C@]1(F)CCCN(C(=O)c2ccco2)C1 ZINC000295576326 387308336 /nfs/dbraw/zinc/30/83/36/387308336.db2.gz MUUUXLHRJIQJNZ-NSHDSACASA-N 0 0 211.236 2.244 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccc(C)nc1 ZINC000102941904 387357952 /nfs/dbraw/zinc/35/79/52/387357952.db2.gz YLNYMJCDQMTDLL-BJMVGYQFSA-N 0 0 218.300 2.363 50 0 BEAARN C[C@@H]1Nc2ncccc2N[C@H]2CCCC(=O)[C@H]21 ZINC000230109003 387328282 /nfs/dbraw/zinc/32/82/82/387328282.db2.gz YTKGZSXXSXNMIT-AUTRQRHGSA-N 0 0 231.299 2.045 50 0 BEAARN Cc1cnccc1NC(=O)N(C)CC(F)F ZINC000121887107 387427013 /nfs/dbraw/zinc/42/70/13/387427013.db2.gz VGOQQAYCGHJEEG-UHFFFAOYSA-N 0 0 229.230 2.119 50 0 BEAARN C/C=C/C(=O)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575612761 387435842 /nfs/dbraw/zinc/43/58/42/387435842.db2.gz MNABXDZYVRJAHD-CXLRFSCWSA-N 0 0 246.310 2.028 50 0 BEAARN COC(=O)[C@H]1O[C@]1(C)c1ccc(Cl)cc1 ZINC000001696002 387446368 /nfs/dbraw/zinc/44/63/68/387446368.db2.gz WOLWRWLLWNBPRS-MWLCHTKSSA-N 0 0 226.659 2.127 50 0 BEAARN C[C@@H](Cc1ccoc1)NC(=O)C1CCC1 ZINC000084835971 387454394 /nfs/dbraw/zinc/45/43/94/387454394.db2.gz OWLBXGGJVQVTAH-VIFPVBQESA-N 0 0 207.273 2.127 50 0 BEAARN Cc1noc(C)c1CSC[C@@H](C)CO ZINC000085139465 387454679 /nfs/dbraw/zinc/45/46/79/387454679.db2.gz JMDHKUZILUTKGV-ZETCQYMHSA-N 0 0 215.318 2.153 50 0 BEAARN Cc1oncc1CNC(=O)Nc1cccs1 ZINC000575605517 387388504 /nfs/dbraw/zinc/38/85/04/387388504.db2.gz QUOROADNMMDLPR-UHFFFAOYSA-N 0 0 237.284 2.366 50 0 BEAARN Cn1ccc(NC(=O)/C=C\c2ccsc2)n1 ZINC000103386888 387392830 /nfs/dbraw/zinc/39/28/30/387392830.db2.gz CNFWHEZSNMVVJO-IHWYPQMZSA-N 0 0 233.296 2.134 50 0 BEAARN Cc1oncc1CNC(=O)c1ccccc1F ZINC000575607332 387394324 /nfs/dbraw/zinc/39/43/24/387394324.db2.gz ZZIKHRWFKRELID-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN O=C(NCc1cncc(-c2ccco2)c1)C1CC1 ZINC000575609369 387407285 /nfs/dbraw/zinc/40/72/85/387407285.db2.gz WXKUZVLYERTMQS-UHFFFAOYSA-N 0 0 242.278 2.368 50 0 BEAARN O=C1O[C@H](Nc2ccncc2)c2ccccc21 ZINC000004775909 387460811 /nfs/dbraw/zinc/46/08/11/387460811.db2.gz CPXMAXYXGJYMJZ-LBPRGKRZSA-N 0 0 226.235 2.363 50 0 BEAARN CC[C@@H](C)N(C)C(=O)Cc1cccc(N)c1 ZINC000052922389 387500350 /nfs/dbraw/zinc/50/03/50/387500350.db2.gz HBMGJOMRCYQUPK-SNVBAGLBSA-N 0 0 220.316 2.068 50 0 BEAARN Cc1nnc(NC(=O)/C=C\c2ccccc2)s1 ZINC000006132252 387503208 /nfs/dbraw/zinc/50/32/08/387503208.db2.gz LZCBLIMPXSLXIG-FPLPWBNLSA-N 0 0 245.307 2.498 50 0 BEAARN c1[nH]nnc1S[C@H]1CCOC2(CCCC2)C1 ZINC000521395160 387515502 /nfs/dbraw/zinc/51/55/02/387515502.db2.gz RVSKDTXUNHYMEC-VIFPVBQESA-N 0 0 239.344 2.389 50 0 BEAARN C[C@]1(F)CCCN(Cc2ccc(CO)o2)C1 ZINC000296193946 387540577 /nfs/dbraw/zinc/54/05/77/387540577.db2.gz YRVIZGIXYMJZNL-LBPRGKRZSA-N 0 0 227.279 2.096 50 0 BEAARN CN(Cc1cccnc1)C(=O)c1cc(Cl)c[nH]1 ZINC000032768348 387465207 /nfs/dbraw/zinc/46/52/07/387465207.db2.gz ATFWMPPIMPSKQO-UHFFFAOYSA-N 0 0 249.701 2.335 50 0 BEAARN CCC1C(C)=NN(c2ccc(OC)cc2)C1=O ZINC000101491750 387471732 /nfs/dbraw/zinc/47/17/32/387471732.db2.gz UFNONNKHPFLYJM-UHFFFAOYSA-N 0 0 232.283 2.457 50 0 BEAARN C[N@H+](CCCC(=O)[O-])CCc1ccc(F)cc1 ZINC000116369399 387476087 /nfs/dbraw/zinc/47/60/87/387476087.db2.gz SHZQTYOUAICOPM-UHFFFAOYSA-N 0 0 239.290 2.165 50 0 BEAARN c1cc(-c2ccc(NC3CCCC3)nn2)ccn1 ZINC000426584085 387580952 /nfs/dbraw/zinc/58/09/52/387580952.db2.gz SAJHLQYZLXIHCD-UHFFFAOYSA-N 0 0 240.310 2.315 50 0 BEAARN CCc1c(-c2ccc3c(c2)OCCO3)cnn1C ZINC000426584927 387581289 /nfs/dbraw/zinc/58/12/89/387581289.db2.gz VVRCMOIXUHGMRP-UHFFFAOYSA-N 0 0 244.294 2.421 50 0 BEAARN Cn1nccc1-c1nn(C)c2ccc(F)cc21 ZINC000426652171 387583789 /nfs/dbraw/zinc/58/37/89/387583789.db2.gz XZNBASGSFWSHSW-UHFFFAOYSA-N 0 0 230.246 2.113 50 0 BEAARN CN(C)c1nccnc1-c1ccnc2[nH]ccc21 ZINC000426387315 387562528 /nfs/dbraw/zinc/56/25/28/387562528.db2.gz RJZQQKUZSGXRGQ-UHFFFAOYSA-N 0 0 239.282 2.086 50 0 BEAARN Cc1nc[nH]c1CNC(=O)[C@H]1CC12CCCCC2 ZINC000426406049 387565029 /nfs/dbraw/zinc/56/50/29/387565029.db2.gz HUWPVHKWEQHUIS-LLVKDONJSA-N 0 0 247.342 2.305 50 0 BEAARN Cc1nc(-c2cc(F)cc3cccnc32)n(C)n1 ZINC000426529434 387578252 /nfs/dbraw/zinc/57/82/52/387578252.db2.gz RHGONYGMLHDYCF-UHFFFAOYSA-N 0 0 242.257 2.478 50 0 BEAARN COCc1nnc(-c2cc(C)c(OC)c(C)c2)[nH]1 ZINC000426530417 387578997 /nfs/dbraw/zinc/57/89/97/387578997.db2.gz LOFYWTAZPULBLS-UHFFFAOYSA-N 0 0 247.298 2.244 50 0 BEAARN CCc1ccccc1NC(=O)N1CCC[C@@H](O)C1 ZINC000043403187 387654334 /nfs/dbraw/zinc/65/43/34/387654334.db2.gz GECKMMYCQUTJHU-GFCCVEGCSA-N 0 0 248.326 2.238 50 0 BEAARN Cc1conc1NC(=O)c1ccccc1F ZINC000123327011 387683321 /nfs/dbraw/zinc/68/33/21/387683321.db2.gz MGSAPJIUAYIYMK-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN C[C@H](NC(=O)c1ccco1)c1cccnc1 ZINC000048325306 387779261 /nfs/dbraw/zinc/77/92/61/387779261.db2.gz ONGZDWRBOJEBNV-VIFPVBQESA-N 0 0 216.240 2.166 50 0 BEAARN O=C(/C=C/c1ccco1)NCc1ccccn1 ZINC000009613244 387835480 /nfs/dbraw/zinc/83/54/80/387835480.db2.gz RHVPYGDUORFUQO-VOTSOKGWSA-N 0 0 228.251 2.004 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2O)CC1 ZINC000090411022 387855291 /nfs/dbraw/zinc/85/52/91/387855291.db2.gz WDKIIEDHAHSCRN-JTQLQIEISA-N 0 0 241.331 2.158 50 0 BEAARN C=Cc1ccccc1OCC(=O)NCCC ZINC000521396171 387917810 /nfs/dbraw/zinc/91/78/10/387917810.db2.gz IBVVUAXVNVSORA-UHFFFAOYSA-N 0 0 219.284 2.235 50 0 BEAARN CO[C@H]1c2ccccc2C[C@H]1Sc1cn[nH]n1 ZINC000521395266 387914733 /nfs/dbraw/zinc/91/47/33/387914733.db2.gz MRCIKICLNLQQCJ-PWSUYJOCSA-N 0 0 247.323 2.209 50 0 BEAARN Cc1cc(C(=O)Nc2cccc(F)c2)on1 ZINC000012685586 177819002 /nfs/dbraw/zinc/81/90/02/177819002.db2.gz HZLTUTVWPMOBGN-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1cc(C(=O)Nc2ccccc2F)no1 ZINC000008851708 177817663 /nfs/dbraw/zinc/81/76/63/177817663.db2.gz VZLZHRVTOSUIPW-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1cc(C(=O)N[C@H]2CCc3ccccc32)[nH]n1 ZINC000048818257 177815231 /nfs/dbraw/zinc/81/52/31/177815231.db2.gz KYQCXBXISLZSSI-LBPRGKRZSA-N 0 0 241.294 2.135 50 0 BEAARN Cc1cc(C)nc(N(C)CCC[C@@H]2CCCO2)n1 ZINC000065488154 388003633 /nfs/dbraw/zinc/00/36/33/388003633.db2.gz BJAKIABFRDXJKY-CYBMUJFWSA-N 0 0 249.358 2.489 50 0 BEAARN Cc1cc(C(=O)NCc2sccc2C)on1 ZINC000025718374 177796406 /nfs/dbraw/zinc/79/64/06/177796406.db2.gz CJSDWOJHURVIQP-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN Cc1cc(C(=O)NCCCc2ccccc2)no1 ZINC000002872635 177784706 /nfs/dbraw/zinc/78/47/06/177784706.db2.gz MAMHEMUEWSBEQL-UHFFFAOYSA-N 0 0 244.294 2.346 50 0 BEAARN CC/C=C(/C)C(=O)NCc1cccnc1OC ZINC000042495481 388095251 /nfs/dbraw/zinc/09/52/51/388095251.db2.gz JLBFSJDNSVZXAK-POHAHGRESA-N 0 0 234.299 2.063 50 0 BEAARN CCCCNC(=O)N[C@H](C)c1ccccn1 ZINC000013744683 388174579 /nfs/dbraw/zinc/17/45/79/388174579.db2.gz BSBRLMYGWAHPBJ-SNVBAGLBSA-N 0 0 221.304 2.242 50 0 BEAARN Cc1cc(C(=O)NC2CC2)nn1-c1ccccc1 ZINC000041453701 177775767 /nfs/dbraw/zinc/77/57/67/177775767.db2.gz UAQBTNDJBVAATP-UHFFFAOYSA-N 0 0 241.294 2.073 50 0 BEAARN CSc1nc(C)cc(N2N=C(C)C[C@@H]2C)n1 ZINC000524734593 388254057 /nfs/dbraw/zinc/25/40/57/388254057.db2.gz SYERFMSJGIIWQS-VIFPVBQESA-N 0 0 236.344 2.481 50 0 BEAARN CCC(CC)c1nc(Cn2ccnc2)no1 ZINC000065288308 388255893 /nfs/dbraw/zinc/25/58/93/388255893.db2.gz GTJPMVJENGWJDN-UHFFFAOYSA-N 0 0 220.276 2.218 50 0 BEAARN Cc1ccsc1C(=O)NCC1CCOCC1 ZINC000169750752 388256718 /nfs/dbraw/zinc/25/67/18/388256718.db2.gz UQXDHKMXBWXNKT-UHFFFAOYSA-N 0 0 239.340 2.213 50 0 BEAARN C[C@@H](N1C(=O)[C@H]2CCCCN2C1=O)C(C)(C)C ZINC000170592458 388239235 /nfs/dbraw/zinc/23/92/35/388239235.db2.gz HNGIKNPBVPKBDR-NXEZZACHSA-N 0 0 238.331 2.238 50 0 BEAARN CCCCCN1CC(=O)N[C@@H]1c1ccc(C)cn1 ZINC000170593346 388239584 /nfs/dbraw/zinc/23/95/84/388239584.db2.gz PMNNPWYULYXXOT-AWEZNQCLSA-N 0 0 247.342 2.011 50 0 BEAARN CC(C)=CC(=O)N(Cc1cnn(C)c1)C(C)C ZINC000056026145 388346122 /nfs/dbraw/zinc/34/61/22/388346122.db2.gz BHXHXKCTEALDEP-UHFFFAOYSA-N 0 0 235.331 2.123 50 0 BEAARN Cc1ccc2c(c1)sc(=NC(=O)C1CC1)n2C ZINC000254744850 388356055 /nfs/dbraw/zinc/35/60/55/388356055.db2.gz GGAHELMZYVZGFN-UHFFFAOYSA-N 0 0 246.335 2.386 50 0 BEAARN CCN(CC)C(=O)CCn1ncc2ccccc21 ZINC000057279566 388356525 /nfs/dbraw/zinc/35/65/25/388356525.db2.gz ZXQBSLODYNTSSQ-UHFFFAOYSA-N 0 0 245.326 2.295 50 0 BEAARN CC[C@@H](C)Nc1ncnc2c(C)nn(CC)c21 ZINC000057312364 388356620 /nfs/dbraw/zinc/35/66/20/388356620.db2.gz BBCXNRUNTBOLPP-MRVPVSSYSA-N 0 0 233.319 2.365 50 0 BEAARN O=C(C1CCC1)N1CCO[C@@H](c2ccccc2)C1 ZINC000038569725 388404889 /nfs/dbraw/zinc/40/48/89/388404889.db2.gz MRAVMIKZFZGYBB-CQSZACIVSA-N 0 0 245.322 2.387 50 0 BEAARN C[C@@H](O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057521336 388361759 /nfs/dbraw/zinc/36/17/59/388361759.db2.gz DWJSURUDGIXOLD-ZCFIWIBFSA-N 0 0 233.189 2.025 50 0 BEAARN COC(=O)CSc1ccnc(C(C)(C)C)n1 ZINC000089761529 388367201 /nfs/dbraw/zinc/36/72/01/388367201.db2.gz HPWCNELAJKJZQA-UHFFFAOYSA-N 0 0 240.328 2.039 50 0 BEAARN O=C([O-])C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000089830472 388369095 /nfs/dbraw/zinc/36/90/95/388369095.db2.gz RDXOCCLKEJWZMX-CYBMUJFWSA-N 0 0 233.311 2.168 50 0 BEAARN CC(C)n1ncc(C(=O)Nc2ccccc2)c1N ZINC000089893831 388371330 /nfs/dbraw/zinc/37/13/30/388371330.db2.gz XJEHALSUUUUIDX-UHFFFAOYSA-N 0 0 244.298 2.299 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N[C@@H](c1nccs1)C1CC1 ZINC000089920458 388373783 /nfs/dbraw/zinc/37/37/83/388373783.db2.gz CDPJTLQMFOROOW-SZEHBUNVSA-N 0 0 236.340 2.366 50 0 BEAARN CC1(C)CCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000089919479 388373804 /nfs/dbraw/zinc/37/38/04/388373804.db2.gz ZDMJZCYQRUCQQW-UHFFFAOYSA-N 0 0 247.273 2.327 50 0 BEAARN CSC(C)(C)CNC(=O)NCc1ccco1 ZINC000076082188 388373808 /nfs/dbraw/zinc/37/38/08/388373808.db2.gz KSQSRAPLUJCECA-UHFFFAOYSA-N 0 0 242.344 2.220 50 0 BEAARN C/C=C/C(=O)N1CCC(Oc2ccncc2)CC1 ZINC000252500398 388375803 /nfs/dbraw/zinc/37/58/03/388375803.db2.gz SUPVXWQYSLCMBG-NSCUHMNNSA-N 0 0 246.310 2.028 50 0 BEAARN O=c1[nH]cccc1-c1noc(-c2ccoc2)n1 ZINC000252502415 388378618 /nfs/dbraw/zinc/37/86/18/388378618.db2.gz UQCUTYKKMPJJBZ-UHFFFAOYSA-N 0 0 229.195 2.097 50 0 BEAARN CC(C)CCN1Cc2ccccc2OCC1=O ZINC000067323750 388406172 /nfs/dbraw/zinc/40/61/72/388406172.db2.gz SJAHOHFQIAVXRG-UHFFFAOYSA-N 0 0 233.311 2.454 50 0 BEAARN CC(C)CS(=O)(=O)N1CCc2ccccc21 ZINC000066575117 388402857 /nfs/dbraw/zinc/40/28/57/388402857.db2.gz MIVGYMXGUVHMFX-UHFFFAOYSA-N 0 0 239.340 2.035 50 0 BEAARN CC(=O)NCCc1nc2ccccc2n1C(C)C ZINC000071405330 388443147 /nfs/dbraw/zinc/44/31/47/388443147.db2.gz XQFUPAAPGAORIJ-UHFFFAOYSA-N 0 0 245.326 2.296 50 0 BEAARN O=CNc1ncc(Cl)cc1Br ZINC000062701873 388449097 /nfs/dbraw/zinc/44/90/97/388449097.db2.gz UVFGYMNMQKGLGR-UHFFFAOYSA-N 0 0 235.468 2.066 50 0 BEAARN COC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C)nn1 ZINC000037527388 388453012 /nfs/dbraw/zinc/45/30/12/388453012.db2.gz WHKNFVUBXVJIEX-VHSXEESVSA-N 0 0 249.314 2.254 50 0 BEAARN CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1 ZINC000175149721 388458864 /nfs/dbraw/zinc/45/88/64/388458864.db2.gz PAIPUMQCUDUXCZ-LLVKDONJSA-N 0 0 234.299 2.187 50 0 BEAARN C[C@H](NC(=O)Nc1ccncn1)c1cccs1 ZINC000194087114 388477446 /nfs/dbraw/zinc/47/74/46/388477446.db2.gz LVFHVKOCFQDSMT-QMMMGPOBSA-N 0 0 248.311 2.421 50 0 BEAARN Cc1cc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1 ZINC000067739689 388407517 /nfs/dbraw/zinc/40/75/17/388407517.db2.gz CSOKHZGGILJVOQ-UHFFFAOYSA-N 0 0 225.251 2.227 50 0 BEAARN CCCN(CCC)C(=O)Cc1c(C)noc1C ZINC000040461181 388417059 /nfs/dbraw/zinc/41/70/59/388417059.db2.gz AAMCBXAXIRTGFH-UHFFFAOYSA-N 0 0 238.331 2.483 50 0 BEAARN CCONC(=O)CCCc1cccs1 ZINC000040489435 388417937 /nfs/dbraw/zinc/41/79/37/388417937.db2.gz KUSKKUHAAXLHEG-UHFFFAOYSA-N 0 0 213.302 2.139 50 0 BEAARN O=C1OCC[C@H]1N[C@H](c1ccccc1)C1CCC1 ZINC000069492647 388417990 /nfs/dbraw/zinc/41/79/90/388417990.db2.gz IZMJJSKCWHQUQA-ZIAGYGMSSA-N 0 0 245.322 2.433 50 0 BEAARN Cc1noc2nc(C)cc(C(=O)N3CCCC3)c12 ZINC000049085113 177750806 /nfs/dbraw/zinc/75/08/06/177750806.db2.gz KYBRYAAZSLRJJZ-UHFFFAOYSA-N 0 0 245.282 2.076 50 0 BEAARN CCONC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000040511944 388419508 /nfs/dbraw/zinc/41/95/08/388419508.db2.gz JSKNWBASRGGAOU-UHFFFAOYSA-N 0 0 244.294 2.088 50 0 BEAARN FC(F)(F)c1ccnc(N2CCSC2)n1 ZINC000069538767 388420111 /nfs/dbraw/zinc/42/01/11/388420111.db2.gz JHXCBGSGMQQVFV-UHFFFAOYSA-N 0 0 235.234 2.006 50 0 BEAARN Cc1cc(C(=O)Nc2nc3c(s2)CCC3)no1 ZINC000009204116 388423249 /nfs/dbraw/zinc/42/32/49/388423249.db2.gz AROGAQIRAUIJJH-UHFFFAOYSA-N 0 0 249.295 2.181 50 0 BEAARN CCc1[nH]nc(NC(=O)Nc2ccccn2)c1C ZINC000069775979 388426659 /nfs/dbraw/zinc/42/66/59/388426659.db2.gz LNOQJASEPGLQLM-UHFFFAOYSA-N 0 0 245.286 2.320 50 0 BEAARN CCOCC1CCN(c2nc(C)cnc2C)CC1 ZINC000195563836 388483461 /nfs/dbraw/zinc/48/34/61/388483461.db2.gz GVLPKVAWRQHHQT-UHFFFAOYSA-N 0 0 249.358 2.346 50 0 BEAARN C[C@H](NC(=O)c1cccs1)[C@H]1CCCO1 ZINC000006725505 388524953 /nfs/dbraw/zinc/52/49/53/388524953.db2.gz OGFXORSTWREMFF-DTWKUNHWSA-N 0 0 225.313 2.045 50 0 BEAARN C[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000253369607 388589440 /nfs/dbraw/zinc/58/94/40/388589440.db2.gz FOQYHWQHPGHJLH-FPMFFAJLSA-N 0 0 247.338 2.067 50 0 BEAARN Cc1nsc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000301607773 388599277 /nfs/dbraw/zinc/59/92/77/388599277.db2.gz OAISSMJAJJBJPT-DTORHVGOSA-N 0 0 209.318 2.083 50 0 BEAARN c1[nH]nc2ncnc(N3CCC[C@H]4CCC[C@H]43)c12 ZINC000108088575 388612020 /nfs/dbraw/zinc/61/20/20/388612020.db2.gz NWOUTFYLCNZFMF-MWLCHTKSSA-N 0 0 243.314 2.122 50 0 BEAARN C[C@@H]1OCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H]1C ZINC000248172584 388674470 /nfs/dbraw/zinc/67/44/70/388674470.db2.gz VAVJSIDGKKVKSK-JZRPKSSGSA-N 0 0 237.343 2.058 50 0 BEAARN O=C([C@@H]1CCOC1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114438358 388681714 /nfs/dbraw/zinc/68/17/14/388681714.db2.gz CPHKZMURMLEPPC-UKRRQHHQSA-N 0 0 249.354 2.372 50 0 BEAARN C=CC(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000328599709 388738216 /nfs/dbraw/zinc/73/82/16/388738216.db2.gz SYOZTNYWSRBWMN-UHFFFAOYSA-N 0 0 231.295 2.372 50 0 BEAARN CO[C@@]1(C)C[C@H](N(C)c2ncccn2)C1(C)C ZINC000078968216 388741740 /nfs/dbraw/zinc/74/17/40/388741740.db2.gz UDVJYLJFEYMEHN-GWCFXTLKSA-N 0 0 235.331 2.116 50 0 BEAARN CO[C@H](C)c1nc(-c2cnn(C)c2)cs1 ZINC000089913605 388742722 /nfs/dbraw/zinc/74/27/22/388742722.db2.gz BKIYYZHOKOPFGZ-SSDOTTSWSA-N 0 0 223.301 2.251 50 0 BEAARN COC[C@H]1CN(Cc2ccc(C)c(C)c2)CCO1 ZINC000093529132 388744134 /nfs/dbraw/zinc/74/41/34/388744134.db2.gz OMFGVYILYPJMIZ-OAHLLOKOSA-N 0 0 249.354 2.151 50 0 BEAARN COC(=O)c1nc2cc(C)ccn2c1NC(C)C ZINC000079485061 388749690 /nfs/dbraw/zinc/74/96/90/388749690.db2.gz HEQPVMHOYVPIEM-UHFFFAOYSA-N 0 0 247.298 2.250 50 0 BEAARN CCCc1nc(Cn2ncc3c2CCCC3)no1 ZINC000124534544 388750891 /nfs/dbraw/zinc/75/08/91/388750891.db2.gz DLSBRTXHVLSPFQ-UHFFFAOYSA-N 0 0 246.314 2.146 50 0 BEAARN COCc1csc(NC(=O)CC2CC2)n1 ZINC000115241756 388694025 /nfs/dbraw/zinc/69/40/25/388694025.db2.gz DBKPEJMHJMXSCJ-UHFFFAOYSA-N 0 0 226.301 2.028 50 0 BEAARN O=C(Nc1ccc2scnc2c1)[C@@H]1CCOC1 ZINC000195382493 388707453 /nfs/dbraw/zinc/70/74/53/388707453.db2.gz ZOQNIUHHQHUTOI-MRVPVSSYSA-N 0 0 248.307 2.271 50 0 BEAARN CCc1ccc(NC(=O)c2cnsn2)cc1 ZINC000012289022 388715951 /nfs/dbraw/zinc/71/59/51/388715951.db2.gz WMGJCBKHOIHBAH-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN CC(C)(C)C(=O)NC[C@H](O)C1CCCCC1 ZINC000069494413 388722645 /nfs/dbraw/zinc/72/26/45/388722645.db2.gz MEMFNBRMCHBAMW-NSHDSACASA-N 0 0 227.348 2.090 50 0 BEAARN C[C@H]1c2cccn2CCN1C(=O)c1ccccn1 ZINC000012911857 388725388 /nfs/dbraw/zinc/72/53/88/388725388.db2.gz PHYPLCMRSRRSSL-NSHDSACASA-N 0 0 241.294 2.100 50 0 BEAARN C[C@H](C(=O)N(C)C(C1CC1)C1CC1)n1cccn1 ZINC000095957243 388794242 /nfs/dbraw/zinc/79/42/42/388794242.db2.gz TZIMGHADRAVDRH-SNVBAGLBSA-N 0 0 247.342 2.091 50 0 BEAARN CCSCCS[C@H](C)C(=O)OC ZINC000095963246 388795686 /nfs/dbraw/zinc/79/56/86/388795686.db2.gz DGUNHOFENIGTSU-SSDOTTSWSA-N 0 0 208.348 2.034 50 0 BEAARN Cc1cnc(N[C@@H]2CCC[C@@]2(C)CO)nc1C ZINC000095978538 388797128 /nfs/dbraw/zinc/79/71/28/388797128.db2.gz HAYKHPJOYJHYGP-YPMHNXCESA-N 0 0 235.331 2.056 50 0 BEAARN CN(C)c1ccccc1N(C)C[C@H]1CCOC1 ZINC000095975841 388797441 /nfs/dbraw/zinc/79/74/41/388797441.db2.gz XPBUUYWOVCOHQQ-GFCCVEGCSA-N 0 0 234.343 2.225 50 0 BEAARN CC(C)[C@H](O)CCNc1nc2ccccc2[nH]1 ZINC000095977448 388797736 /nfs/dbraw/zinc/79/77/36/388797736.db2.gz FFVNMAXWCPJVHM-GFCCVEGCSA-N 0 0 233.315 2.382 50 0 BEAARN C[C@H](Cc1cccnc1)OC(=O)C[C@@H]1CCCO1 ZINC000095987701 388799800 /nfs/dbraw/zinc/79/98/00/388799800.db2.gz AUUKXDZIAHGXJB-YPMHNXCESA-N 0 0 249.310 2.125 50 0 BEAARN CCCn1cc(CNc2nnc(C(C)C)o2)cn1 ZINC000095992307 388801548 /nfs/dbraw/zinc/80/15/48/388801548.db2.gz UQZNJJUDUJWAHX-UHFFFAOYSA-N 0 0 249.318 2.412 50 0 BEAARN CN(CCC(C)(C)C)Cc1nccn1C ZINC000096002374 388801606 /nfs/dbraw/zinc/80/16/06/388801606.db2.gz VFEHMDDMXJSKDN-UHFFFAOYSA-N 0 0 209.337 2.288 50 0 BEAARN FC(F)Cn1ccc(N[C@@H]2CCSC2)n1 ZINC000095991519 388801840 /nfs/dbraw/zinc/80/18/40/388801840.db2.gz VEMLEVXGOBKVJB-SSDOTTSWSA-N 0 0 233.287 2.066 50 0 BEAARN C[C@H](CSCCC(N)=O)c1ccccc1 ZINC000095993987 388802184 /nfs/dbraw/zinc/80/21/84/388802184.db2.gz GPAXREWHQRPJTE-SNVBAGLBSA-N 0 0 223.341 2.399 50 0 BEAARN C[C@H](C(=O)NCCC1=CCCC1)c1cncnc1 ZINC000333428203 388814176 /nfs/dbraw/zinc/81/41/76/388814176.db2.gz JNXMCYXOKWNEFI-NSHDSACASA-N 0 0 245.326 2.197 50 0 BEAARN O=C1CO[C@H](c2cc(Cl)cc(Cl)c2)CN1 ZINC000096096225 388809076 /nfs/dbraw/zinc/80/90/76/388809076.db2.gz CPHQGJPWIFPPTQ-VIFPVBQESA-N 0 0 246.093 2.181 50 0 BEAARN CC(C)C(=O)Nc1cc(-c2ccccn2)no1 ZINC000096183989 388811361 /nfs/dbraw/zinc/81/13/61/388811361.db2.gz GTGILUDRQHSJCB-UHFFFAOYSA-N 0 0 231.255 2.331 50 0 BEAARN Cc1cc(C[C@H](C)Nc2nnc(C3CC3)o2)n[nH]1 ZINC000095366525 388763459 /nfs/dbraw/zinc/76/34/59/388763459.db2.gz YEZIALUNLOKQLN-ZETCQYMHSA-N 0 0 247.302 2.022 50 0 BEAARN COC(=O)Nc1ccccc1OCc1ccon1 ZINC000080286261 388763817 /nfs/dbraw/zinc/76/38/17/388763817.db2.gz QMPNXLPRIGFTDP-UHFFFAOYSA-N 0 0 248.238 2.432 50 0 BEAARN c1[nH]nc2ncnc(N3CCC[C@H]4CCC[C@@H]43)c12 ZINC000095403323 388765310 /nfs/dbraw/zinc/76/53/10/388765310.db2.gz NWOUTFYLCNZFMF-KOLCDFICSA-N 0 0 243.314 2.122 50 0 BEAARN CN(CCCNc1ccccc1)c1ncccn1 ZINC000095394317 388765617 /nfs/dbraw/zinc/76/56/17/388765617.db2.gz CDSKOOWFZTXVHV-UHFFFAOYSA-N 0 0 242.326 2.415 50 0 BEAARN CCC[C@H]1C[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000095404373 388765730 /nfs/dbraw/zinc/76/57/30/388765730.db2.gz YKRUPRJIPZPYDD-BQBZGAKWSA-N 0 0 227.695 2.024 50 0 BEAARN CC(C)[C@@H](O)CNC(=O)c1ccc(Cl)cc1 ZINC000095418201 388766692 /nfs/dbraw/zinc/76/66/92/388766692.db2.gz VEGZTCDFUSXLNZ-NSHDSACASA-N 0 0 241.718 2.087 50 0 BEAARN CC(C)CCC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000095423935 388769130 /nfs/dbraw/zinc/76/91/30/388769130.db2.gz SGAWEDOGIHACOC-NSHDSACASA-N 0 0 235.331 2.340 50 0 BEAARN Cc1ccc(CC(=O)O[C@@H]2CCSC2)o1 ZINC000095444284 388772702 /nfs/dbraw/zinc/77/27/02/388772702.db2.gz KBGAECSLEDTDBC-SNVBAGLBSA-N 0 0 226.297 2.179 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)nc1 ZINC000095448444 388772733 /nfs/dbraw/zinc/77/27/33/388772733.db2.gz ZTECGFYZKXSCBM-PWSUYJOCSA-N 0 0 246.310 2.334 50 0 BEAARN Cn1nc([C@@H](O)c2ccccc2)nc1C(C)(C)C ZINC000095497300 388777418 /nfs/dbraw/zinc/77/74/18/388777418.db2.gz TUECXYVIEKPCEE-NSHDSACASA-N 0 0 245.326 2.194 50 0 BEAARN CCOc1ccc(/C=C\C(=O)N2CCC2)cc1 ZINC000096248590 388812814 /nfs/dbraw/zinc/81/28/14/388812814.db2.gz JZFMYCLZCLHGMO-TWGQIWQCSA-N 0 0 231.295 2.331 50 0 BEAARN CCCCNc1cc(-n2nc(C)cc2C)ncn1 ZINC000021713529 388817267 /nfs/dbraw/zinc/81/72/67/388817267.db2.gz JSRZJNXFHWVYBA-UHFFFAOYSA-N 0 0 245.330 2.491 50 0 BEAARN CO[C@H](CNC(=O)C1CC1)c1cccc(F)c1 ZINC000096387886 388817856 /nfs/dbraw/zinc/81/78/56/388817856.db2.gz DZPWISILSWDLIM-GFCCVEGCSA-N 0 0 237.274 2.039 50 0 BEAARN C1CC1c1noc(N2CCOC3(CCCC3)C2)n1 ZINC000096476896 388819393 /nfs/dbraw/zinc/81/93/93/388819393.db2.gz WNAYINULXGPFMH-UHFFFAOYSA-N 0 0 249.314 2.096 50 0 BEAARN Cc1nc(COC(=O)c2ccncc2)oc1C ZINC000096481331 388820198 /nfs/dbraw/zinc/82/01/98/388820198.db2.gz LABNRGHPMGXWTK-UHFFFAOYSA-N 0 0 232.239 2.043 50 0 BEAARN CC[C@@H](NC1CCSCC1)c1noc(C)n1 ZINC000096493698 388821284 /nfs/dbraw/zinc/82/12/84/388821284.db2.gz KWJCQKMBQPTQIG-SNVBAGLBSA-N 0 0 241.360 2.314 50 0 BEAARN Cc1cnc(C(=O)Oc2cccc(C)c2F)cn1 ZINC000096500189 388822029 /nfs/dbraw/zinc/82/20/29/388822029.db2.gz NRVFYPHNXDPQLV-UHFFFAOYSA-N 0 0 246.241 2.452 50 0 BEAARN CC[C@H](CO)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000097047196 388831594 /nfs/dbraw/zinc/83/15/94/388831594.db2.gz DYIZHOFSGISING-KGLIPLIRSA-N 0 0 247.338 2.067 50 0 BEAARN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H](C)O)C2)c1 ZINC000097108009 388833333 /nfs/dbraw/zinc/83/33/33/388833333.db2.gz FLBRRUWTPZNXCW-CHWSQXEVSA-N 0 0 247.338 2.000 50 0 BEAARN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@@H](C)O)C2)c1 ZINC000097108010 388833597 /nfs/dbraw/zinc/83/35/97/388833597.db2.gz FLBRRUWTPZNXCW-OLZOCXBDSA-N 0 0 247.338 2.000 50 0 BEAARN COC1(CNC(=O)Nc2cc(C)ccn2)CCC1 ZINC000097107552 388834038 /nfs/dbraw/zinc/83/40/38/388834038.db2.gz ILYMKFSVBQJCFH-UHFFFAOYSA-N 0 0 249.314 2.081 50 0 BEAARN CCSCc1nnc(C2CCC2)n1C ZINC000097083831 388834179 /nfs/dbraw/zinc/83/41/79/388834179.db2.gz ASGOMOWXQBMGSO-UHFFFAOYSA-N 0 0 211.334 2.336 50 0 BEAARN CC(C)(C)CSCc1nccc(N)n1 ZINC000225640689 388838830 /nfs/dbraw/zinc/83/88/30/388838830.db2.gz OOFJDPGDQVBMPN-UHFFFAOYSA-N 0 0 211.334 2.338 50 0 BEAARN CCCCNC(=O)c1cc(CCC)on1 ZINC000002498047 388839442 /nfs/dbraw/zinc/83/94/42/388839442.db2.gz ZQNNAABQOUWTTO-UHFFFAOYSA-N 0 0 210.277 2.157 50 0 BEAARN COC(=O)NC[C@@H](OC)c1ccc(Cl)s1 ZINC000225699656 388841005 /nfs/dbraw/zinc/84/10/05/388841005.db2.gz SZWKHCMKJIRYEW-ZCFIWIBFSA-N 0 0 249.719 2.445 50 0 BEAARN CC(=O)NC[C@@H](O)c1csc2ccccc21 ZINC000225691268 388841064 /nfs/dbraw/zinc/84/10/64/388841064.db2.gz BUVVNALSUSXCBC-LLVKDONJSA-N 0 0 235.308 2.071 50 0 BEAARN Cc1cc(-c2nc(-c3ccccn3)no2)no1 ZINC000078773840 177688066 /nfs/dbraw/zinc/68/80/66/177688066.db2.gz OCJLXIAPRNLYGM-UHFFFAOYSA-N 0 0 228.211 2.095 50 0 BEAARN CCCCNC(=O)Nc1nnc(CC)s1 ZINC000028225546 388847516 /nfs/dbraw/zinc/84/75/16/388847516.db2.gz DSOQZOPMPLBDOW-UHFFFAOYSA-N 0 0 228.321 2.022 50 0 BEAARN Cc1cc(-c2nnc(-c3ccccc3)o2)n(C)n1 ZINC000002806286 177694393 /nfs/dbraw/zinc/69/43/93/177694393.db2.gz LFRMFRGRKCMMOO-UHFFFAOYSA-N 0 0 240.266 2.446 50 0 BEAARN OCc1ccc(N2CCCCC2)c(F)c1 ZINC000008701656 132318867 /nfs/dbraw/zinc/31/88/67/132318867.db2.gz OVWZGIZXEBPUDG-UHFFFAOYSA-N 0 0 209.264 2.308 50 0 BEAARN CCN(C)C(=O)/C=C/c1ccnc(Cl)c1 ZINC000084760718 169664907 /nfs/dbraw/zinc/66/49/07/169664907.db2.gz CFINDMLFVHTVOP-SNAWJCMRSA-N 0 0 224.691 2.227 50 0 BEAARN CCN(C)C(=O)NCCc1ccccc1C ZINC000084760772 169683039 /nfs/dbraw/zinc/68/30/39/169683039.db2.gz IYOYKGRUHPKFTQ-UHFFFAOYSA-N 0 0 220.316 2.199 50 0 BEAARN C[C@H]1CN(c2ccccc2O)C[C@H](C)O1 ZINC000000100094 132206468 /nfs/dbraw/zinc/20/64/68/132206468.db2.gz DYCHIQQCVMTNFP-UWVGGRQHSA-N 0 0 207.273 2.006 50 0 BEAARN Cc1ccnc(N2CCC(F)(F)[C@H](C)C2)n1 ZINC000291102791 132217880 /nfs/dbraw/zinc/21/78/80/132217880.db2.gz KPIBEAGYHMIRAI-MRVPVSSYSA-N 0 0 227.258 2.267 50 0 BEAARN O=C(c1ccccn1)N1CCOc2ccccc21 ZINC000033167896 132243022 /nfs/dbraw/zinc/24/30/22/132243022.db2.gz VWARKUKQVFYSAT-UHFFFAOYSA-N 0 0 240.262 2.121 50 0 BEAARN Fc1cnc(N2CCc3ccccc3C2)nc1 ZINC000301791955 132257633 /nfs/dbraw/zinc/25/76/33/132257633.db2.gz RLIVCBBAJQASNI-UHFFFAOYSA-N 0 0 229.258 2.178 50 0 BEAARN Fc1ccc(N2CCC[C@@H](c3cc[nH]n3)C2)nc1 ZINC000330032202 132309889 /nfs/dbraw/zinc/30/98/89/132309889.db2.gz JJNGHEWLRPXREE-SNVBAGLBSA-N 0 0 246.289 2.328 50 0 BEAARN C[C@H]1CN(c2ncnc3sccc32)C[C@H](C)O1 ZINC000000115891 132312555 /nfs/dbraw/zinc/31/25/55/132312555.db2.gz LCEVDAZWVBWVKB-IUCAKERBSA-N 0 0 249.339 2.305 50 0 BEAARN Cc1nc(N2CCCCC2)nc2c1CCC2 ZINC000001394108 132313875 /nfs/dbraw/zinc/31/38/75/132313875.db2.gz RLBALSUCMJSIBU-UHFFFAOYSA-N 0 0 217.316 2.264 50 0 BEAARN Cc1ccc(N2C(=O)CC(C)CC2=O)cc1 ZINC000002154591 132314472 /nfs/dbraw/zinc/31/44/72/132314472.db2.gz DXPWZGIZWPBUSB-UHFFFAOYSA-N 0 0 217.268 2.285 50 0 BEAARN O=C1CCCC(=O)N1c1ccc(Cl)cc1 ZINC000003086185 132315475 /nfs/dbraw/zinc/31/54/75/132315475.db2.gz HXXVDRRWNNHFTI-UHFFFAOYSA-N 0 0 223.659 2.384 50 0 BEAARN CC[NH+]1CCN(c2ccc(Cl)cc2N)CC1 ZINC000003445945 132315490 /nfs/dbraw/zinc/31/54/90/132315490.db2.gz KLVUMLIJOJJXAM-UHFFFAOYSA-N 0 0 239.750 2.064 50 0 BEAARN CCC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000004710488 132316657 /nfs/dbraw/zinc/31/66/57/132316657.db2.gz FFTBTGLGXFNIFM-UHFFFAOYSA-N 0 0 246.354 2.362 50 0 BEAARN CCCCn1c(=O)cc(O)c2ccccc21 ZINC000005309170 132317376 /nfs/dbraw/zinc/31/73/76/132317376.db2.gz VBGFLYWUTPWXPK-UHFFFAOYSA-N 0 0 217.268 2.406 50 0 BEAARN CC(=O)Nc1ccc(N2CCCCC2)c(N)c1 ZINC000012379591 132321248 /nfs/dbraw/zinc/32/12/48/132321248.db2.gz ADRSEOIGVYHYCP-UHFFFAOYSA-N 0 0 233.315 2.218 50 0 BEAARN Nc1cccnc1N1CCc2ccccc2C1 ZINC000013488065 132321737 /nfs/dbraw/zinc/32/17/37/132321737.db2.gz PDWIXUPKLCRNMD-UHFFFAOYSA-N 0 0 225.295 2.227 50 0 BEAARN CCCCC(=O)N1CC(=O)Nc2ccccc21 ZINC000021009787 132332173 /nfs/dbraw/zinc/33/21/73/132332173.db2.gz CVSQHWUYMXPYCV-UHFFFAOYSA-N 0 0 232.283 2.162 50 0 BEAARN CC(=O)c1c(F)cccc1N1CCOC[C@@H]1C ZINC000035237039 132337874 /nfs/dbraw/zinc/33/78/74/132337874.db2.gz ZEDNIJVJYNZVIA-VIFPVBQESA-N 0 0 237.274 2.253 50 0 BEAARN C[C@@H]1C[C@H](N2CCCc3ccccc32)C(=O)O1 ZINC000036396608 132342263 /nfs/dbraw/zinc/34/22/63/132342263.db2.gz YWQFJMKZRJTAKW-MFKMUULPSA-N 0 0 231.295 2.143 50 0 BEAARN Cc1cccc2c(C)cc(N3CC[NH2+]CC3)nc12 ZINC000040175196 132347081 /nfs/dbraw/zinc/34/70/81/132347081.db2.gz GNDUDNOGXBCJPF-UHFFFAOYSA-N 0 0 241.338 2.261 50 0 BEAARN C[C@H]1CCC[C@H](C)N1c1ncnc2n[nH]cc21 ZINC000041120979 132349545 /nfs/dbraw/zinc/34/95/45/132349545.db2.gz OAYJNOHVKAHTJM-IUCAKERBSA-N 0 0 231.303 2.120 50 0 BEAARN C[C@H]1CN(C(=O)C2CC2)c2ccccc2O1 ZINC000041306526 132350123 /nfs/dbraw/zinc/35/01/23/132350123.db2.gz QNDPQZZPIJMITM-VIFPVBQESA-N 0 0 217.268 2.211 50 0 BEAARN C[C@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000042783554 132352625 /nfs/dbraw/zinc/35/26/25/132352625.db2.gz HUHYVRHJMZWXIQ-QMMMGPOBSA-N 0 0 211.696 2.366 50 0 BEAARN C[C@H]1C[C@H](C)C[NH+](c2ccc(N)cc2C(=O)[O-])C1 ZINC000053224671 132363013 /nfs/dbraw/zinc/36/30/13/132363013.db2.gz PEPUMPQTKIHPMR-UWVGGRQHSA-N 0 0 248.326 2.449 50 0 BEAARN Fc1cccc2ncnc(N3CCSCC3)c12 ZINC000054060300 132363768 /nfs/dbraw/zinc/36/37/68/132363768.db2.gz PAFGBOOSUAGHDI-UHFFFAOYSA-N 0 0 249.314 2.322 50 0 BEAARN O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccoc1 ZINC000335422353 133862508 /nfs/dbraw/zinc/86/25/08/133862508.db2.gz YTBCEEJPZSVQNH-NXEZZACHSA-N 0 0 211.236 2.290 50 0 BEAARN FC1(F)CCC[C@H]1CSc1nc[nH]n1 ZINC000336195037 134125890 /nfs/dbraw/zinc/12/58/90/134125890.db2.gz DDPHJHLGBLZVPK-LURJTMIESA-N 0 0 219.260 2.332 50 0 BEAARN Cc1cc(CNC(C)(C)c2nccs2)on1 ZINC000173417973 134274369 /nfs/dbraw/zinc/27/43/69/134274369.db2.gz DVDYALKKPXPUDO-UHFFFAOYSA-N 0 0 237.328 2.464 50 0 BEAARN O=C(COC(=O)C1CC1)c1c[nH]c2ccccc12 ZINC000002496420 134806065 /nfs/dbraw/zinc/80/60/65/134806065.db2.gz SXVZCFLGVBYPBB-UHFFFAOYSA-N 0 0 243.262 2.304 50 0 BEAARN C[C@H]1CCCCCN1C(=O)Nc1ccn(C)n1 ZINC000075612655 134966410 /nfs/dbraw/zinc/96/64/10/134966410.db2.gz LMFKILOSSUMEAU-JTQLQIEISA-N 0 0 236.319 2.217 50 0 BEAARN CC(C)NC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000257176460 135099366 /nfs/dbraw/zinc/09/93/66/135099366.db2.gz CPEKLCHIFFPRTD-ZDUSSCGKSA-N 0 0 248.326 2.258 50 0 BEAARN Cc1cnc(C)c(NC[C@@]2(C)CCCO2)n1 ZINC000087256089 135117006 /nfs/dbraw/zinc/11/70/06/135117006.db2.gz DXZWNNKQVDNQFW-GFCCVEGCSA-N 0 0 221.304 2.074 50 0 BEAARN COC1CN(c2nc3ccccc3s2)C1 ZINC000253472674 135127054 /nfs/dbraw/zinc/12/70/54/135127054.db2.gz OKIUSBYBZJJBGN-UHFFFAOYSA-N 0 0 220.297 2.131 50 0 BEAARN Cn1[nH]c(=O)c2cc(NC(=O)C(C)(C)C)ccc21 ZINC000257173310 135131269 /nfs/dbraw/zinc/13/12/69/135131269.db2.gz JGHYELFXHIEBNK-UHFFFAOYSA-N 0 0 247.298 2.264 50 0 BEAARN CC(C)(C)CCC[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000261527239 135150870 /nfs/dbraw/zinc/15/08/70/135150870.db2.gz CTCIMVDNGNMARU-SNVBAGLBSA-N 0 0 213.321 2.219 50 0 BEAARN COC[C@@H](C)NC(=O)N1C[C@@H](C)c2ccccc21 ZINC000079115523 135282162 /nfs/dbraw/zinc/28/21/62/135282162.db2.gz FPTWLSMDSHDHRM-GHMZBOCLSA-N 0 0 248.326 2.355 50 0 BEAARN O=C(Nc1ccc(O)cc1)[C@H]1C[C@@H]1C(F)F ZINC000334297921 135335049 /nfs/dbraw/zinc/33/50/49/135335049.db2.gz NLYXVRYPFBKQMJ-IUCAKERBSA-N 0 0 227.210 2.232 50 0 BEAARN O=C(N[C@@H]1CC[C@@H](F)C1)c1ccsc1 ZINC000334287253 135340031 /nfs/dbraw/zinc/34/00/31/135340031.db2.gz XTYJNFXJNRSLRC-RKDXNWHRSA-N 0 0 213.277 2.369 50 0 BEAARN CC(C)(F)c1nc(Cc2ccccn2)no1 ZINC000334291654 135340698 /nfs/dbraw/zinc/34/06/98/135340698.db2.gz DOUXJYPHMGREBF-UHFFFAOYSA-N 0 0 221.235 2.260 50 0 BEAARN CC(C)CC[N@@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263347494 135348171 /nfs/dbraw/zinc/34/81/71/135348171.db2.gz OYUBWBMWWPJJHR-QWRGUYRKSA-N 0 0 213.321 2.075 50 0 BEAARN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000266002836 135363256 /nfs/dbraw/zinc/36/32/56/135363256.db2.gz JTZCUAFOGAKIOK-WCQYABFASA-N 0 0 233.311 2.024 50 0 BEAARN CC(C)(CF)NC(=O)c1cccs1 ZINC000306296916 135370894 /nfs/dbraw/zinc/37/08/94/135370894.db2.gz XDRZJYDSRSJLPN-UHFFFAOYSA-N 0 0 201.266 2.226 50 0 BEAARN Cc1cnccc1C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000334401520 135390443 /nfs/dbraw/zinc/39/04/43/135390443.db2.gz FQECLVWCDCUJRE-ZJUUUORDSA-N 0 0 222.263 2.010 50 0 BEAARN Cc1cnccc1C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000334401507 135390469 /nfs/dbraw/zinc/39/04/69/135390469.db2.gz FQECLVWCDCUJRE-NXEZZACHSA-N 0 0 222.263 2.010 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCOC1 ZINC000089922372 135542560 /nfs/dbraw/zinc/54/25/60/135542560.db2.gz NQPNPEVKUAGVCJ-XQHKEYJVSA-N 0 0 237.343 2.203 50 0 BEAARN O=C(Nc1scnc1C1CC1)[C@@H]1CCCO1 ZINC000095447524 135578506 /nfs/dbraw/zinc/57/85/06/135578506.db2.gz TVPDXWBGVFWUOW-QMMMGPOBSA-N 0 0 238.312 2.138 50 0 BEAARN Cc1nnc(NCc2ccc(F)cc2)o1 ZINC000095398736 135625583 /nfs/dbraw/zinc/62/55/83/135625583.db2.gz MJRDUMVSVHZMMO-UHFFFAOYSA-N 0 0 207.208 2.129 50 0 BEAARN O=C(N[C@H]1CCOc2ccccc21)C1=CCC1 ZINC000095456775 135625823 /nfs/dbraw/zinc/62/58/23/135625823.db2.gz NUFGVCZILROQNC-LBPRGKRZSA-N 0 0 229.279 2.347 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCS2)C1 ZINC000095404068 135625940 /nfs/dbraw/zinc/62/59/40/135625940.db2.gz ASXBGDCXNBEYGB-MXWKQRLJSA-N 0 0 227.373 2.387 50 0 BEAARN O=C(C[C@@H]1C=CCCC1)N1CC(CF)C1 ZINC000335215174 135959037 /nfs/dbraw/zinc/95/90/37/135959037.db2.gz IZOOLVPQFFKHKS-SNVBAGLBSA-N 0 0 211.280 2.161 50 0 BEAARN Cc1ccc(C(=O)N2CC(CF)C2)cc1C ZINC000335215290 135959114 /nfs/dbraw/zinc/95/91/14/135959114.db2.gz JRAVSBUUIZWAAF-UHFFFAOYSA-N 0 0 221.275 2.345 50 0 BEAARN Cc1ccc(C(=O)N[C@H]2CC[C@@H](F)C2)o1 ZINC000335315729 136024688 /nfs/dbraw/zinc/02/46/88/136024688.db2.gz ITPPWYQGNVEPFM-BDAKNGLRSA-N 0 0 211.236 2.208 50 0 BEAARN O=C(NCc1ccco1)[C@H]1CCC[C@@H](F)C1 ZINC000335562664 136106880 /nfs/dbraw/zinc/10/68/80/136106880.db2.gz JZBUGJKQHGRHPJ-VHSXEESVSA-N 0 0 225.263 2.424 50 0 BEAARN O=C(N[C@@H]1CC12CC2)[C@@H]1CCCCC1(F)F ZINC000335564310 136106896 /nfs/dbraw/zinc/10/68/96/136106896.db2.gz HXKBTHBNFVKBIF-DTWKUNHWSA-N 0 0 229.270 2.481 50 0 BEAARN C[C@@H](F)CCNC(=O)N1CCC=C(F)C1 ZINC000335575666 136110736 /nfs/dbraw/zinc/11/07/36/136110736.db2.gz HVJDHACVRWETLF-MRVPVSSYSA-N 0 0 218.247 2.003 50 0 BEAARN C[C@@H](F)CCNC(=O)N1CCC(C)(C)C1 ZINC000335577704 136111421 /nfs/dbraw/zinc/11/14/21/136111421.db2.gz PSHDMFGDGBEJRI-SECBINFHSA-N 0 0 216.300 2.176 50 0 BEAARN Clc1ncc(Br)c2c[nH]nc21 ZINC000149292125 397801265 /nfs/dbraw/zinc/80/12/65/397801265.db2.gz IQTBFAQDVRWZMA-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CO[C@@]1(C(F)(F)F)N=CNc2ccnc(C)c21 ZINC000036559034 397941467 /nfs/dbraw/zinc/94/14/67/397941467.db2.gz OBXRHJTWGBUXCU-VIFPVBQESA-N 0 0 245.204 2.015 50 0 BEAARN CO[C@H](C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000078974530 397967866 /nfs/dbraw/zinc/96/78/66/397967866.db2.gz FOHTXAJZYGDIFL-SDDRHHMPSA-N 0 0 235.327 2.330 50 0 BEAARN COC(=O)c1c(Cl)ccnc1Cl ZINC000016698781 397959321 /nfs/dbraw/zinc/95/93/21/397959321.db2.gz IBZIEMCFERTPNR-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN O=C(Nc1cccn2ncnc12)c1cccs1 ZINC000065283782 397961321 /nfs/dbraw/zinc/96/13/21/397961321.db2.gz GMMXAWAAJAPWFD-UHFFFAOYSA-N 0 0 244.279 2.043 50 0 BEAARN CCC[C@](O)(c1ncc[nH]1)c1ccccc1 ZINC000328579671 397901488 /nfs/dbraw/zinc/90/14/88/397901488.db2.gz VTXGERPCTLOBJV-CYBMUJFWSA-N 0 0 216.284 2.446 50 0 BEAARN Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1C ZINC000000029942 397913805 /nfs/dbraw/zinc/91/38/05/397913805.db2.gz WETOSEPOHBIQKK-ZDUSSCGKSA-N 0 0 233.311 2.212 50 0 BEAARN COC(=O)c1ccc(Oc2cccnc2)o1 ZINC000004272200 397922265 /nfs/dbraw/zinc/92/22/65/397922265.db2.gz FRZDTNCNVQRZDW-UHFFFAOYSA-N 0 0 219.196 2.254 50 0 BEAARN Nc1nsc(-c2ccccc2Cl)n1 ZINC000032238111 398003764 /nfs/dbraw/zinc/00/37/64/398003764.db2.gz KJPOZCDBQPBPLS-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN CCN(C)C(=O)N[C@H](C)Cc1ccccc1F ZINC000071892307 398048727 /nfs/dbraw/zinc/04/87/27/398048727.db2.gz DRIHCLVRQKMGTD-SNVBAGLBSA-N 0 0 238.306 2.418 50 0 BEAARN COC(=O)c1ccc(Cl)nc1Cl ZINC000025724846 397984239 /nfs/dbraw/zinc/98/42/39/397984239.db2.gz IFVVGOJYWCHRCT-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN CCCN(C)C(=O)N[C@@H](C)COCC(C)C ZINC000071924650 398063960 /nfs/dbraw/zinc/06/39/60/398063960.db2.gz OKQLNUPRSBZSRG-NSHDSACASA-N 0 0 230.352 2.099 50 0 BEAARN CC[N@H+](CCC(=O)[O-])Cc1c(F)cccc1F ZINC000083663366 398067351 /nfs/dbraw/zinc/06/73/51/398067351.db2.gz LYYGMTZSDKHMTI-UHFFFAOYSA-N 0 0 243.253 2.261 50 0 BEAARN CC[C@H](Cc1ccc(C)cc1)NC(C)=O ZINC000081070085 398067424 /nfs/dbraw/zinc/06/74/24/398067424.db2.gz NLNZMPIIYDRIBS-CYBMUJFWSA-N 0 0 205.301 2.452 50 0 BEAARN c1ccc2c(c1)snc2N1CCOCC1 ZINC000081145108 398067572 /nfs/dbraw/zinc/06/75/72/398067572.db2.gz SDSZPAKHNWSFEC-UHFFFAOYSA-N 0 0 220.297 2.133 50 0 BEAARN Nc1n[nH]c(SC/C=C\c2ccccc2)n1 ZINC000083324311 398067585 /nfs/dbraw/zinc/06/75/85/398067585.db2.gz YXKLHKQHGCKSOQ-DAXSKMNVSA-N 0 0 232.312 2.192 50 0 BEAARN CC(C)(C(N)=O)c1cccc(Br)c1 ZINC000065336913 398083107 /nfs/dbraw/zinc/08/31/07/398083107.db2.gz HOVDXJZXYJDZCF-UHFFFAOYSA-N 0 0 242.116 2.212 50 0 BEAARN Cc1cc(C)cc(C(=O)N2CCO[C@H](C)C2)c1 ZINC000032865147 398084678 /nfs/dbraw/zinc/08/46/78/398084678.db2.gz ZBEJHGUJSCBNQV-GFCCVEGCSA-N 0 0 233.311 2.164 50 0 BEAARN Cc1ccc(CCC(=O)N2CCC2)c(C)c1 ZINC000032869688 398084739 /nfs/dbraw/zinc/08/47/39/398084739.db2.gz QWRBDXFVWCBDHT-UHFFFAOYSA-N 0 0 217.312 2.468 50 0 BEAARN CCCn1nccc1NC(=O)c1ccoc1 ZINC000031769965 398111131 /nfs/dbraw/zinc/11/11/31/398111131.db2.gz XWCGNRAQUXWBLS-UHFFFAOYSA-N 0 0 219.244 2.138 50 0 BEAARN Nc1ncc(F)c(Oc2ccccc2F)n1 ZINC000087842326 322890543 /nfs/dbraw/zinc/89/05/43/322890543.db2.gz WHKQDSCNJAVTIF-UHFFFAOYSA-N 0 0 223.182 2.129 50 0 BEAARN C[C@H](Sc1ccc(F)c(Cl)c1)C(N)=O ZINC000014198410 177029321 /nfs/dbraw/zinc/02/93/21/177029321.db2.gz BSFURVHDOZURIP-YFKPBYRVSA-N 0 0 233.695 2.445 50 0 BEAARN CC(C)OCCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000078416563 167198597 /nfs/dbraw/zinc/19/85/97/167198597.db2.gz QBYKYFLKDCEVOF-VXGBXAGGSA-N 0 0 227.348 2.496 50 0 BEAARN CC[C@@H]1CO[C@@H](CC)CN1c1cc(C)nc(C)n1 ZINC000585090486 487573555 /nfs/dbraw/zinc/57/35/55/487573555.db2.gz UHYJQRWKWORXLO-OLZOCXBDSA-N 0 0 249.358 2.487 50 0 BEAARN CC(C)OCC[C@H](NN)c1ccccc1 ZINC000019168211 167251947 /nfs/dbraw/zinc/25/19/47/167251947.db2.gz LKRQHKOQFROOMM-LBPRGKRZSA-N 0 0 208.305 2.006 50 0 BEAARN c1csc(CCNc2ncnc3nc[nH]c32)c1 ZINC000020549659 487591000 /nfs/dbraw/zinc/59/10/00/487591000.db2.gz YIZWRPPLSSLNNX-UHFFFAOYSA-N 0 0 245.311 2.069 50 0 BEAARN CC(C)S(=O)(=O)NC1CCCCCC1 ZINC000070227799 167319827 /nfs/dbraw/zinc/31/98/27/167319827.db2.gz ZESRNTJWOCETPR-UHFFFAOYSA-N 0 0 219.350 2.037 50 0 BEAARN CC[C@@H](C[C@H](C)CO)Nc1cccc(F)n1 ZINC000096436787 409985111 /nfs/dbraw/zinc/98/51/11/409985111.db2.gz GTTOLSAKFIFOCH-UWVGGRQHSA-N 0 0 226.295 2.430 50 0 BEAARN C[C@@H](CCn1cccn1)OC(=O)c1ccoc1 ZINC000097050251 410045008 /nfs/dbraw/zinc/04/50/08/410045008.db2.gz DPEUQRGCEQSEND-JTQLQIEISA-N 0 0 234.255 2.112 50 0 BEAARN C[C@H](NC(=O)c1cc(O)cc(O)c1)C1CCC1 ZINC000097101999 410055315 /nfs/dbraw/zinc/05/53/15/410055315.db2.gz OATAEOGIHATKKJ-QMMMGPOBSA-N 0 0 235.283 2.016 50 0 BEAARN Brc1ccc(C2=NCCO2)cc1 ZINC000000296152 166097001 /nfs/dbraw/zinc/09/70/01/166097001.db2.gz OHJDDVYUQCSBSG-UHFFFAOYSA-N 0 0 226.073 2.226 50 0 BEAARN Brc1ccc(C2N3CCCN23)cc1 ZINC000019169468 166098167 /nfs/dbraw/zinc/09/81/67/166098167.db2.gz ONRARGGCQAHKOU-UHFFFAOYSA-N 0 0 239.116 2.384 50 0 BEAARN Brc1ccc(-c2cncnc2)nc1 ZINC000045028437 166098405 /nfs/dbraw/zinc/09/84/05/166098405.db2.gz HYTDKLXERYHHEX-UHFFFAOYSA-N 0 0 236.072 2.301 50 0 BEAARN Brc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000020269164 166100224 /nfs/dbraw/zinc/10/02/24/166100224.db2.gz IWMSBXAXPYFDAE-SNVBAGLBSA-N 0 0 242.116 2.110 50 0 BEAARN Brc1cccc(N2CCSC2)n1 ZINC000169725499 166101122 /nfs/dbraw/zinc/10/11/22/166101122.db2.gz ZWBXHCRXBSSIGS-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN Brc1cccc(CN2CCCC2)n1 ZINC000238025748 166101205 /nfs/dbraw/zinc/10/12/05/166101205.db2.gz GSIGGKMZJYTAIN-UHFFFAOYSA-N 0 0 241.132 2.440 50 0 BEAARN Brc1cccc(-c2nc[nH]n2)c1 ZINC000039233285 166101863 /nfs/dbraw/zinc/10/18/63/166101863.db2.gz SSHMLGQRBZYTMM-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1ccnc(NC2CC2)c1 ZINC000065337550 166102849 /nfs/dbraw/zinc/10/28/49/166102849.db2.gz ODLZYUOHICTMRF-UHFFFAOYSA-N 0 0 213.078 2.418 50 0 BEAARN Brc1c[nH]nc1-c1ccncc1 ZINC000035287522 166104356 /nfs/dbraw/zinc/10/43/56/166104356.db2.gz LKKNQJJSEMQTHQ-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1cccnc1-c1ncc[nH]1 ZINC000096663631 166103541 /nfs/dbraw/zinc/10/35/41/166103541.db2.gz DORHILWDHHOAIL-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1cnn(Cc2cccnc2)c1 ZINC000015042237 166106345 /nfs/dbraw/zinc/10/63/45/166106345.db2.gz ROCSBEALVUBRBM-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN Brc1cnccc1N1CCSC1 ZINC000169725519 166106636 /nfs/dbraw/zinc/10/66/36/166106636.db2.gz YDIQNQCJJOOGTE-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN CCN(CC)C(=O)Cc1cc(C)ccc1OC ZINC000044869723 169750995 /nfs/dbraw/zinc/75/09/95/169750995.db2.gz OSNPNBUQMSWVME-UHFFFAOYSA-N 0 0 235.327 2.415 50 0 BEAARN CCN(CC)C(=O)Cc1cccc(OC)c1 ZINC000044866950 169752188 /nfs/dbraw/zinc/75/21/88/169752188.db2.gz KKLDHNMAEPTSCR-UHFFFAOYSA-N 0 0 221.300 2.106 50 0 BEAARN CSc1ccccc1-n1cc([C@@H](C)O)nn1 ZINC000163369499 487616969 /nfs/dbraw/zinc/61/69/69/487616969.db2.gz LFOYFCQMHRAOJJ-MRVPVSSYSA-N 0 0 235.312 2.043 50 0 BEAARN CC(=O)c1cccc2c1OC(F)(F)O2 ZINC000016158398 166479547 /nfs/dbraw/zinc/47/95/47/166479547.db2.gz FXQWZAIGWRETAQ-UHFFFAOYSA-N 0 0 200.140 2.211 50 0 BEAARN CC(C)(C)C1CCC2(CC(=O)NC2=O)CC1 ZINC000036929017 166544797 /nfs/dbraw/zinc/54/47/97/166544797.db2.gz TXQKTTIWPOKGQB-UHFFFAOYSA-N 0 0 223.316 2.256 50 0 BEAARN CC(C)C(=O)Nc1ccccc1N1CCCC1=O ZINC000045480177 166732406 /nfs/dbraw/zinc/73/24/06/166732406.db2.gz ZGWUJQYGJHCLLB-UHFFFAOYSA-N 0 0 246.310 2.408 50 0 BEAARN CCn1cc(/C=C\C(=O)NC2CCCCC2)cn1 ZINC000101530277 410778717 /nfs/dbraw/zinc/77/87/17/410778717.db2.gz JCIRANCOKQYFSQ-HJWRWDBZSA-N 0 0 247.342 2.365 50 0 BEAARN CC(C)CCNC(=O)c1ccc2c(c1)OCCO2 ZINC000012382212 166856453 /nfs/dbraw/zinc/85/64/53/166856453.db2.gz BAZYWDDBAHWGMV-UHFFFAOYSA-N 0 0 249.310 2.234 50 0 BEAARN CC(C)CCOc1ccccc1C(N)=O ZINC000000060958 166883149 /nfs/dbraw/zinc/88/31/49/166883149.db2.gz CFCVITLVUYPRQC-UHFFFAOYSA-N 0 0 207.273 2.210 50 0 BEAARN CC(C)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000008502390 166963613 /nfs/dbraw/zinc/96/36/13/166963613.db2.gz OCBXXFBQDKYXHA-CQSZACIVSA-N 0 0 246.310 2.110 50 0 BEAARN CC(C)CNc1ncc(Br)cn1 ZINC000067119488 167018619 /nfs/dbraw/zinc/01/86/19/167018619.db2.gz FXHIANLHFJMUAT-UHFFFAOYSA-N 0 0 230.109 2.307 50 0 BEAARN CC(C)CNc1nn2cnnc2c2ccccc21 ZINC000027795173 167019115 /nfs/dbraw/zinc/01/91/15/167019115.db2.gz YEIVECVMPCVKLA-UHFFFAOYSA-N 0 0 241.298 2.345 50 0 BEAARN CC(C)CNc1nnc2n1CCCCC2 ZINC000004218592 167019951 /nfs/dbraw/zinc/01/99/51/167019951.db2.gz WZPFBPNBGXDYEC-UHFFFAOYSA-N 0 0 208.309 2.072 50 0 BEAARN CC(C)NC(=O)CNc1ccccc1Cl ZINC000009155020 167060682 /nfs/dbraw/zinc/06/06/82/167060682.db2.gz PTCGOKKUHVTJHQ-UHFFFAOYSA-N 0 0 226.707 2.277 50 0 BEAARN CC(C)NC(=O)Cn1cc(-c2ccccc2)cn1 ZINC000058407205 167065595 /nfs/dbraw/zinc/06/55/95/167065595.db2.gz AJUISDYUJWHOHD-UHFFFAOYSA-N 0 0 243.310 2.075 50 0 BEAARN CC(C)NC(=O)NCCc1ccccc1F ZINC000012986903 167074347 /nfs/dbraw/zinc/07/43/47/167074347.db2.gz TXXWIXICOYMQEQ-UHFFFAOYSA-N 0 0 224.279 2.076 50 0 BEAARN CC(C)NC(=O)Nc1cccnc1N1CCCC1 ZINC000048171975 167079968 /nfs/dbraw/zinc/07/99/68/167079968.db2.gz VURPUDPVBZTTAY-UHFFFAOYSA-N 0 0 248.330 2.212 50 0 BEAARN CC(C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000001456901 167084531 /nfs/dbraw/zinc/08/45/31/167084531.db2.gz DDEQUIASKFRODF-NEPJUHHUSA-N 0 0 203.285 2.315 50 0 BEAARN CC(C)NC(=O)c1c(Cl)nc2ccccn21 ZINC000044944060 167086724 /nfs/dbraw/zinc/08/67/24/167086724.db2.gz IEJBAJAWPNZRSB-UHFFFAOYSA-N 0 0 237.690 2.126 50 0 BEAARN CC(C)NC(=O)c1ccc2c(c1)CCC2 ZINC000012973808 167088126 /nfs/dbraw/zinc/08/81/26/167088126.db2.gz MHDXTHFHHAZGNO-UHFFFAOYSA-N 0 0 203.285 2.314 50 0 BEAARN CC(C)NC(=O)c1nnsc1-c1ccccc1 ZINC000072239964 167091744 /nfs/dbraw/zinc/09/17/44/167091744.db2.gz DEWNRNCDYJVEND-UHFFFAOYSA-N 0 0 247.323 2.343 50 0 BEAARN CC(C)OC(=O)c1csc2nnsc12 ZINC000000385894 167173411 /nfs/dbraw/zinc/17/34/11/167173411.db2.gz HCORMVBVEDNCBS-UHFFFAOYSA-N 0 0 228.298 2.318 50 0 BEAARN CC(C)OCC(=O)NCc1cc2ccccc2[nH]1 ZINC000058903907 167186174 /nfs/dbraw/zinc/18/61/74/167186174.db2.gz SIYQKYIXKHMQDS-UHFFFAOYSA-N 0 0 246.310 2.209 50 0 BEAARN CC(C)OCCCNC(=O)c1cccc(F)c1 ZINC000002875597 167220072 /nfs/dbraw/zinc/22/00/72/167220072.db2.gz HZAPZYHTZGIENW-UHFFFAOYSA-N 0 0 239.290 2.371 50 0 BEAARN CC(C)O[C@@H](C)c1nncn1-c1cccnc1 ZINC000067695052 167280460 /nfs/dbraw/zinc/28/04/60/167280460.db2.gz NPLSNJVOLTVGKI-JTQLQIEISA-N 0 0 232.287 2.148 50 0 BEAARN CC(C)[C@@H](C)NC(=O)NCc1ccco1 ZINC000048455326 167376158 /nfs/dbraw/zinc/37/61/58/167376158.db2.gz XZVWPFRLCFSOIQ-SECBINFHSA-N 0 0 210.277 2.123 50 0 BEAARN CCN(CC)Cn1c2ccccc2sc1=O ZINC000019606521 169791895 /nfs/dbraw/zinc/79/18/95/169791895.db2.gz KIHWFSXIMYDAPQ-UHFFFAOYSA-N 0 0 236.340 2.362 50 0 BEAARN CCN(CC)S(=O)(=O)Cc1ccc(C)cc1 ZINC000016578477 169793606 /nfs/dbraw/zinc/79/36/06/169793606.db2.gz AGDLOXLNEYXMOI-UHFFFAOYSA-N 0 0 241.356 2.167 50 0 BEAARN Cc1cc(C(=O)NC(C)C)nn1C(C)(C)C ZINC000044815735 411140854 /nfs/dbraw/zinc/14/08/54/411140854.db2.gz KBRIKUYVGDDLRY-UHFFFAOYSA-N 0 0 223.320 2.085 50 0 BEAARN Cc1cc(NC(=O)NCc2cccs2)no1 ZINC000044889805 411142218 /nfs/dbraw/zinc/14/22/18/411142218.db2.gz PJYFZIZCRPWDOW-UHFFFAOYSA-N 0 0 237.284 2.366 50 0 BEAARN CC(N=c1[nH]c2ccccc2o1)=C1CCOC1=O ZINC000108553417 411145164 /nfs/dbraw/zinc/14/51/64/411145164.db2.gz SHJHZVYBFCDMID-HJWRWDBZSA-N 0 0 244.250 2.461 50 0 BEAARN CC(C)c1nnc(NCc2ccn(C)c2)o1 ZINC000095992306 167711902 /nfs/dbraw/zinc/71/19/02/167711902.db2.gz IWTXPUOMJJKPGL-UHFFFAOYSA-N 0 0 220.276 2.144 50 0 BEAARN COc1ncccc1NC(=O)N1CCC[C@@H](C)C1 ZINC000048286099 411186258 /nfs/dbraw/zinc/18/62/58/411186258.db2.gz AWOGDIFALJLRIV-SNVBAGLBSA-N 0 0 249.314 2.354 50 0 BEAARN CC(C)n1ccc(Cn2cc(Cl)cn2)n1 ZINC000084633236 167764669 /nfs/dbraw/zinc/76/46/69/167764669.db2.gz GOESQCAJTOIEGU-UHFFFAOYSA-N 0 0 224.695 2.362 50 0 BEAARN CSCC(=O)N1Cc2cccc(F)c2C1 ZINC000335131278 411204550 /nfs/dbraw/zinc/20/45/50/411204550.db2.gz LBSDZBOQXYQMRT-UHFFFAOYSA-N 0 0 225.288 2.031 50 0 BEAARN CCCc1nc2ccc(F)cc2c(=O)[nH]1 ZINC000048606563 411206680 /nfs/dbraw/zinc/20/66/80/411206680.db2.gz FJRNNLWPIKMRLD-UHFFFAOYSA-N 0 0 206.220 2.015 50 0 BEAARN CCONC(=O)c1cc2ccccc2n1CC ZINC000048727146 411213479 /nfs/dbraw/zinc/21/34/79/411213479.db2.gz VHNLMYILZMQKNF-UHFFFAOYSA-N 0 0 232.283 2.343 50 0 BEAARN CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1 ZINC000000057796 169804721 /nfs/dbraw/zinc/80/47/21/169804721.db2.gz HWQSZPUCHJKWLS-UHFFFAOYSA-N 0 0 245.278 2.452 50 0 BEAARN Cc1nc(CNC(=O)Nc2ccccn2)oc1C ZINC000049028618 411223260 /nfs/dbraw/zinc/22/32/60/411223260.db2.gz MCZLJYBVQCCTNO-UHFFFAOYSA-N 0 0 246.270 2.008 50 0 BEAARN CC(F)(F)CC(=O)N1CCCC2(CC2)C1 ZINC000336573076 167810891 /nfs/dbraw/zinc/81/08/91/167810891.db2.gz HHTZARLKKLGKPB-UHFFFAOYSA-N 0 0 217.259 2.434 50 0 BEAARN O=C(Nc1ncccc1O)[C@@H]1C[C@H]1c1ccco1 ZINC000049398359 411232138 /nfs/dbraw/zinc/23/21/38/411232138.db2.gz FLKUXOREDIJGHN-RKDXNWHRSA-N 0 0 244.250 2.122 50 0 BEAARN CCCCc1cc(NC(=O)c2cccnc2)n[nH]1 ZINC000049495988 411236664 /nfs/dbraw/zinc/23/66/64/411236664.db2.gz UYFRBFRVYHRNEV-UHFFFAOYSA-N 0 0 244.298 2.400 50 0 BEAARN CCSc1ccc(NC(=O)[C@H](C)OC)cn1 ZINC000049495257 411236825 /nfs/dbraw/zinc/23/68/25/411236825.db2.gz HMVMPDMKXZSZOT-QMMMGPOBSA-N 0 0 240.328 2.167 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c2n[nH]cc21 ZINC000049479918 411237123 /nfs/dbraw/zinc/23/71/23/411237123.db2.gz CUPMVDIXTJVYKA-IUCAKERBSA-N 0 0 229.283 2.466 50 0 BEAARN CCSc1ccc(NC(=O)[C@@H](C)OC)cn1 ZINC000049495255 411237728 /nfs/dbraw/zinc/23/77/28/411237728.db2.gz HMVMPDMKXZSZOT-MRVPVSSYSA-N 0 0 240.328 2.167 50 0 BEAARN CCN(CC)c1ncc(Br)cn1 ZINC000001495461 169806053 /nfs/dbraw/zinc/80/60/53/169806053.db2.gz AKTJBOBIMUJVHD-UHFFFAOYSA-N 0 0 230.109 2.085 50 0 BEAARN CC1(C)C(=O)O[C@H](c2ccco2)C(C)(C)C1=O ZINC000000111975 167877616 /nfs/dbraw/zinc/87/76/16/167877616.db2.gz IOPPSZMTZCSCMC-SECBINFHSA-N 0 0 236.267 2.499 50 0 biogenic BEAARN CC1(C)C=C(Br)C2(C1)OCCO2 ZINC000034457688 167882061 /nfs/dbraw/zinc/88/20/61/167882061.db2.gz IISOJVQYZLLDOM-UHFFFAOYSA-N 0 0 233.105 2.438 50 0 BEAARN CC1(C)C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000004203356 167959518 /nfs/dbraw/zinc/95/95/18/167959518.db2.gz YLHKSZFLQXTQKA-LBPRGKRZSA-N 0 0 233.311 2.229 50 0 BEAARN CC1=Nc2ncnn2[C@@H](c2ccccc2)C1 ZINC000100092089 168132159 /nfs/dbraw/zinc/13/21/59/168132159.db2.gz KMMGBMZDAKTMQO-LLVKDONJSA-N 0 0 212.256 2.197 50 0 BEAARN CC1=N/C(=C/c2cc(F)ccc2F)C(=O)O1 ZINC000083329552 168132922 /nfs/dbraw/zinc/13/29/22/168132922.db2.gz WXPBRLXDFVOOBC-BJMVGYQFSA-N 0 0 223.178 2.281 50 0 BEAARN CC1=N/C(=C\c2cccc(C)c2)C(=O)O1 ZINC000000459590 168133059 /nfs/dbraw/zinc/13/30/59/168133059.db2.gz OHFJJNFSSSCWTL-XFFZJAGNSA-N 0 0 201.225 2.311 50 0 BEAARN Cc1cc(=O)n(-c2ccc(C)c(C)c2)[nH]1 ZINC000100069082 168133282 /nfs/dbraw/zinc/13/32/82/168133282.db2.gz GJBBAPXESBCGRU-UHFFFAOYSA-N 0 0 202.257 2.416 50 0 BEAARN CC1=NO[C@](C)(CNC(=O)c2cccc(C)c2)C1 ZINC000064555638 168136175 /nfs/dbraw/zinc/13/61/75/168136175.db2.gz WYCJXSAOGADDEX-AWEZNQCLSA-N 0 0 246.310 2.280 50 0 BEAARN Cc1[nH][nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000100028515 168136600 /nfs/dbraw/zinc/13/66/00/168136600.db2.gz QMPVZTYWNUFOKQ-JTQLQIEISA-N 0 0 222.675 2.004 50 0 BEAARN CC1=NO[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC000064555781 168136622 /nfs/dbraw/zinc/13/66/22/168136622.db2.gz CMQYKPYVNJGUNI-CYBMUJFWSA-N 0 0 246.310 2.198 50 0 BEAARN CC1=CSc2nnc(-c3ccccc3F)n2N1 ZINC000000531691 168138329 /nfs/dbraw/zinc/13/83/29/168138329.db2.gz BDZAOWWEWXANFN-UHFFFAOYSA-N 0 0 248.286 2.414 50 0 BEAARN CC1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000001670898 168139258 /nfs/dbraw/zinc/13/92/58/168139258.db2.gz CEELKJZGSXIKRA-UHFFFAOYSA-N 0 0 231.295 2.014 50 0 BEAARN CC1CCN(C(=O)COc2ccccc2)CC1 ZINC000000493246 168171765 /nfs/dbraw/zinc/17/17/65/168171765.db2.gz BBBGFSWBXZMXLA-UHFFFAOYSA-N 0 0 233.311 2.324 50 0 BEAARN CC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000005427589 168176184 /nfs/dbraw/zinc/17/61/84/168176184.db2.gz NHLGLJRTKOZKDL-UHFFFAOYSA-N 0 0 247.294 2.287 50 0 BEAARN CC1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000043999596 168184080 /nfs/dbraw/zinc/18/40/80/168184080.db2.gz HOWIYISUWFBNST-UHFFFAOYSA-N 0 0 221.304 2.179 50 0 BEAARN CCC(=O)COCc1ccc(OC)cc1 ZINC000043199171 168209148 /nfs/dbraw/zinc/20/91/48/168209148.db2.gz PJWGGIAQDHQLLM-UHFFFAOYSA-N 0 0 208.257 2.191 50 0 BEAARN CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000003851686 168215192 /nfs/dbraw/zinc/21/51/92/168215192.db2.gz TYZVFKRBBHHHSX-SNVBAGLBSA-N 0 0 219.240 2.117 50 0 BEAARN CCC(=O)NCCCn1ncc2ccc(C)cc21 ZINC000072239516 168229085 /nfs/dbraw/zinc/22/90/85/168229085.db2.gz BVZUOUXPSJVYGS-UHFFFAOYSA-N 0 0 245.326 2.261 50 0 BEAARN CCC(=O)NCCc1c[nH]c2cc(OC)ccc12 ZINC000002128356 168230903 /nfs/dbraw/zinc/23/09/03/168230903.db2.gz BWJDHZWYOMMHMI-UHFFFAOYSA-N 0 0 246.310 2.245 50 0 biogenic BEAARN CCC(=O)N[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000004998443 168236606 /nfs/dbraw/zinc/23/66/06/168236606.db2.gz SBSJATUITSNUSI-VIFPVBQESA-N 0 0 245.282 2.324 50 0 BEAARN CCC(=O)Nc1ccc(F)c(F)c1F ZINC000015019503 168243823 /nfs/dbraw/zinc/24/38/23/168243823.db2.gz HYZKUQMGWWMNNE-UHFFFAOYSA-N 0 0 203.163 2.452 50 0 BEAARN CCC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000005440049 168244925 /nfs/dbraw/zinc/24/49/25/168244925.db2.gz HMYFNQGQXCDHMF-UHFFFAOYSA-N 0 0 246.310 2.470 50 0 BEAARN CCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000013021378 168245623 /nfs/dbraw/zinc/24/56/23/168245623.db2.gz ZVIFUMVYXRAIEJ-UHFFFAOYSA-N 0 0 204.229 2.485 50 0 BEAARN CCC(=O)Nc1nnc(-c2ccc(OC)cc2)o1 ZINC000004276087 168248409 /nfs/dbraw/zinc/24/84/09/168248409.db2.gz KARDIMGGDAZSLO-UHFFFAOYSA-N 0 0 247.254 2.094 50 0 BEAARN CCC(=O)c1c(OC)cc(OC)c(OC)c1O ZINC000000481601 168254382 /nfs/dbraw/zinc/25/43/82/168254382.db2.gz WEGIFAYABXLPGL-UHFFFAOYSA-N 0 0 240.255 2.011 50 0 BEAARN CCC(=O)c1cc(OC)c(OC)cc1OC ZINC000000081248 168254390 /nfs/dbraw/zinc/25/43/90/168254390.db2.gz KUQHFNICKXWOBZ-UHFFFAOYSA-N 0 0 224.256 2.305 50 0 endogenous,in-man BEAARN CCC(=O)c1ccc(OC(=O)N(C)C)cc1 ZINC000004294163 168256306 /nfs/dbraw/zinc/25/63/06/168256306.db2.gz YYGUKHYZJVRLCX-UHFFFAOYSA-N 0 0 221.256 2.340 50 0 BEAARN CCC(C)(C)NC(=O)NCCCOC(C)C ZINC000095965038 168292045 /nfs/dbraw/zinc/29/20/45/168292045.db2.gz NPFABDMICOIPSA-UHFFFAOYSA-N 0 0 230.352 2.289 50 0 BEAARN CCC(C)(C)NC(=O)c1ccc(C(=O)OC)cc1 ZINC000046539148 168296960 /nfs/dbraw/zinc/29/69/60/168296960.db2.gz FCKKRKJOBKIJQG-UHFFFAOYSA-N 0 0 249.310 2.392 50 0 BEAARN CCC(C)(C)NC(=O)c1nn(C)c(C)c1Cl ZINC000002782613 168297935 /nfs/dbraw/zinc/29/79/35/168297935.db2.gz KMKFCYWGMYBUTQ-UHFFFAOYSA-N 0 0 243.738 2.300 50 0 BEAARN CCC(C)(C)NS(=O)(=O)Cc1ccccc1 ZINC000002846958 168299640 /nfs/dbraw/zinc/29/96/40/168299640.db2.gz DODUHXCNRJQIBZ-UHFFFAOYSA-N 0 0 241.356 2.295 50 0 BEAARN CCC(C)(C)OC(=O)c1cccc(C(=O)NC)c1 ZINC000097049084 168303110 /nfs/dbraw/zinc/30/31/10/168303110.db2.gz JHYHJBZIUQCAEE-UHFFFAOYSA-N 0 0 249.310 2.392 50 0 BEAARN CCc1nc(S[C@@H]2COC(C)(C)C2)n[nH]1 ZINC000657239913 411428632 /nfs/dbraw/zinc/42/86/32/411428632.db2.gz WTLVNPNIAXBFIS-ZETCQYMHSA-N 0 0 227.333 2.027 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000044575024 411472547 /nfs/dbraw/zinc/47/25/47/411472547.db2.gz RKDGWGVZONGCQA-KWQFWETISA-N 0 0 243.266 2.331 50 0 BEAARN CCN1CC[C@H]([C@@](O)(CC)c2ccccc2)C1=O ZINC000071773749 170022380 /nfs/dbraw/zinc/02/23/80/170022380.db2.gz OIDPGAMWDJEUCU-DZGCQCFKSA-N 0 0 247.338 2.153 50 0 BEAARN CCNC(=O)CCc1ccccc1Cl ZINC000047654610 170054407 /nfs/dbraw/zinc/05/44/07/170054407.db2.gz MCFWFTIKXXDATG-UHFFFAOYSA-N 0 0 211.692 2.409 50 0 BEAARN CCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000230172300 170075179 /nfs/dbraw/zinc/07/51/79/170075179.db2.gz CDFANPZPBBXYIG-GMTAPVOTSA-N 0 0 210.321 2.369 50 0 BEAARN CCNC(=O)Nc1cc(C)ccc1OC ZINC000000396376 170084345 /nfs/dbraw/zinc/08/43/45/170084345.db2.gz UKWJHBFCHRESST-UHFFFAOYSA-N 0 0 208.261 2.145 50 0 BEAARN CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000014397143 170096621 /nfs/dbraw/zinc/09/66/21/170096621.db2.gz KYHNORNTJFAJGL-QMMMGPOBSA-N 0 0 227.691 2.243 50 0 BEAARN CCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000000119769 170099589 /nfs/dbraw/zinc/09/95/89/170099589.db2.gz WUZODTCWKPXULS-UHFFFAOYSA-N 0 0 230.267 2.400 50 0 BEAARN CCNC(=O)c1ccc(F)c(Br)c1 ZINC000038537081 170101555 /nfs/dbraw/zinc/10/15/55/170101555.db2.gz CDEMMEBEXFRGFM-UHFFFAOYSA-N 0 0 246.079 2.338 50 0 BEAARN CCNC(=O)c1oc2ccccc2c1C ZINC000032667918 170104948 /nfs/dbraw/zinc/10/49/48/170104948.db2.gz XJOXPIPWKTUDTC-UHFFFAOYSA-N 0 0 203.241 2.491 50 0 BEAARN CCNC(=S)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C ZINC000002099567 170106862 /nfs/dbraw/zinc/10/68/62/170106862.db2.gz FWWZFUCBOADTRX-LDYMZIIASA-N 0 0 249.383 2.230 50 0 biogenic BEAARN CCNc1cc(OC)c(OC)c(OC)c1 ZINC000019905372 170172688 /nfs/dbraw/zinc/17/26/88/170172688.db2.gz VRIGZMIQTLFNRQ-UHFFFAOYSA-N 0 0 211.261 2.144 50 0 BEAARN CCNc1nnc(SC(C)C)s1 ZINC000048397797 170179114 /nfs/dbraw/zinc/17/91/14/170179114.db2.gz MJMATXRTZSPSDG-UHFFFAOYSA-N 0 0 203.336 2.470 50 0 BEAARN CCNc1nnc(-c2ccncc2)s1 ZINC000000266387 170179320 /nfs/dbraw/zinc/17/93/20/170179320.db2.gz SEAPAUSLGKJKMP-UHFFFAOYSA-N 0 0 206.274 2.032 50 0 BEAARN CCOC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003672053 170184413 /nfs/dbraw/zinc/18/44/13/170184413.db2.gz WURIMUMBNRFTHG-UHFFFAOYSA-N 0 0 249.310 2.486 50 0 BEAARN CCOC(=O)C(=O)c1c(C)cccc1Cl ZINC000085650768 170185027 /nfs/dbraw/zinc/18/50/27/170185027.db2.gz AGNYYSZSPCIOPN-UHFFFAOYSA-N 0 0 226.659 2.394 50 0 BEAARN CCOC(=O)C(=O)c1ccc(Cl)cc1 ZINC000002245430 170185028 /nfs/dbraw/zinc/18/50/28/170185028.db2.gz BIELZWDKOJZMOG-UHFFFAOYSA-N 0 0 212.632 2.086 50 0 BEAARN CCOC(=O)C(C)(C)Oc1cccc(OC)c1 ZINC000001459483 170187954 /nfs/dbraw/zinc/18/79/54/170187954.db2.gz ZYIYTYGTTIYJOS-UHFFFAOYSA-N 0 0 238.283 2.416 50 0 BEAARN CCOC(=O)C(F)(F)c1cccc(F)c1 ZINC000052232673 170188722 /nfs/dbraw/zinc/18/87/22/170188722.db2.gz SSRNVBDWXPUQQL-UHFFFAOYSA-N 0 0 218.174 2.481 50 0 BEAARN CCOC(=O)CNc1cccc(Cl)c1 ZINC000000287781 170227711 /nfs/dbraw/zinc/22/77/11/170227711.db2.gz CDSGZTSPLQPIQD-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN CCOC(=O)COc1ccc(Cl)cc1 ZINC000000565871 170228816 /nfs/dbraw/zinc/22/88/16/170228816.db2.gz QULRDJFRGVHKLN-UHFFFAOYSA-N 0 0 214.648 2.282 50 0 BEAARN CCOC(=O)COc1ccc(F)cc1C ZINC000095734130 170229162 /nfs/dbraw/zinc/22/91/62/170229162.db2.gz JKBHUOJVYROLCT-UHFFFAOYSA-N 0 0 212.220 2.076 50 0 BEAARN CCOC(=O)Cc1cc(Cl)ccc1O ZINC000071773982 170234939 /nfs/dbraw/zinc/23/49/39/170234939.db2.gz LOXCSBAKGSKTKZ-UHFFFAOYSA-N 0 0 214.648 2.151 50 0 BEAARN CCOC(=O)Cn1cnc2cc(C)c(C)cc21 ZINC000000393685 170237973 /nfs/dbraw/zinc/23/79/73/170237973.db2.gz GJXGBVQSRKUYFY-UHFFFAOYSA-N 0 0 232.283 2.216 50 0 BEAARN CCOC(=O)NC(=S)N1[C@H](C)CCC[C@H]1C ZINC000000172800 170240580 /nfs/dbraw/zinc/24/05/80/170240580.db2.gz GAEUDCPVCVEDNK-RKDXNWHRSA-N 0 0 244.360 2.280 50 0 BEAARN CCOC(=O)N=c1oc2ccccc2o1 ZINC000000045407 170240893 /nfs/dbraw/zinc/24/08/93/170240893.db2.gz FSGXOUNWEDDLJZ-UHFFFAOYSA-N 0 0 207.185 2.083 50 0 BEAARN CCOC(=O)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000070965710 170242763 /nfs/dbraw/zinc/24/27/63/170242763.db2.gz SICNZGUXMNVRAX-CQSZACIVSA-N 0 0 249.310 2.030 50 0 BEAARN CCOC(=O)N[C@H](OCC)c1ccccc1 ZINC000004671483 170243013 /nfs/dbraw/zinc/24/30/13/170243013.db2.gz LJNNZSRYFSUNMJ-LLVKDONJSA-N 0 0 223.272 2.468 50 0 BEAARN CCOC(=O)P(=O)(OCC)OCC ZINC000001700869 170244324 /nfs/dbraw/zinc/24/43/24/170244324.db2.gz NOJFJZZMRDSOLM-UHFFFAOYSA-N 0 0 210.166 2.409 50 0 BEAARN CCOC(=O)[C@@H](CC)n1cc(Cl)cn1 ZINC000002536969 170250749 /nfs/dbraw/zinc/25/07/49/170250749.db2.gz ROQJPCKLXNCURI-MRVPVSSYSA-N 0 0 216.668 2.051 50 0 BEAARN CCOC(=O)[C@H](CC)[C@H](CC)C(=O)OCC ZINC000003074836 170250894 /nfs/dbraw/zinc/25/08/94/170250894.db2.gz PYQDOTSNFYFMQJ-AOOOYVTPSA-N 0 0 230.304 2.165 50 0 BEAARN CCOC(=O)[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000022204429 170255021 /nfs/dbraw/zinc/25/50/21/170255021.db2.gz CDTCQUWMAQENHB-LBPRGKRZSA-N 0 0 237.299 2.037 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@H](c2cccs2)N1 ZINC000098072870 170259822 /nfs/dbraw/zinc/25/98/22/170259822.db2.gz FPFZNKCTUSSDIU-IONNQARKSA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000043638481 170265694 /nfs/dbraw/zinc/26/56/94/170265694.db2.gz UVUIFQSYHWKBHE-NSHDSACASA-N 0 0 221.300 2.070 50 0 BEAARN CCOC(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000049368590 170268216 /nfs/dbraw/zinc/26/82/16/170268216.db2.gz PGXIARWMSVPWGX-QWRGUYRKSA-N 0 0 221.300 2.289 50 0 BEAARN CCOC(=O)[C@H](Cc1ccccc1F)C(C)=O ZINC000002506752 170273913 /nfs/dbraw/zinc/27/39/13/170273913.db2.gz FYIXPASNYHVDHS-LLVKDONJSA-N 0 0 238.258 2.137 50 0 BEAARN CCOC(=O)[C@H](N)c1cccc2ccccc21 ZINC000037514899 170276720 /nfs/dbraw/zinc/27/67/20/170276720.db2.gz JUADKWTZIPWOLO-CYBMUJFWSA-N 0 0 229.279 2.403 50 0 biogenic BEAARN CCOC(=O)[C@H](Sc1ncc[nH]1)C(C)C ZINC000179861914 170279225 /nfs/dbraw/zinc/27/92/25/170279225.db2.gz IDSNQCFURTWGJH-MRVPVSSYSA-N 0 0 228.317 2.090 50 0 BEAARN CCOC(=O)[C@H]1CC[C@H](c2ccccc2)N1 ZINC000051971694 170280838 /nfs/dbraw/zinc/28/08/38/170280838.db2.gz BJOUEZQMVVKCPC-VXGBXAGGSA-N 0 0 219.284 2.043 50 0 BEAARN CCOC(=O)[C@H]1CCCc2cccnc21 ZINC000098095614 170281564 /nfs/dbraw/zinc/28/15/64/170281564.db2.gz KVJMXJLRPIIKAJ-JTQLQIEISA-N 0 0 205.257 2.065 50 0 BEAARN CCOC(=O)[C@H]1CSC2(CCC(C)CC2)N1 ZINC000020405480 170282131 /nfs/dbraw/zinc/28/21/31/170282131.db2.gz OAAKTKDUHXPKJW-SQLBVSGCSA-N 0 0 243.372 2.161 50 0 BEAARN CCOC(=O)c1[nH]c2ccc(C)cc2c1NC=O ZINC000000325998 170286865 /nfs/dbraw/zinc/28/68/65/170286865.db2.gz CXYZMEADUYXXDM-UHFFFAOYSA-N 0 0 246.266 2.221 50 0 BEAARN CCOC(=O)c1c(N)sc(C)c1CC ZINC000000035858 170288925 /nfs/dbraw/zinc/28/89/25/170288925.db2.gz ZLQVIZSBIABXJQ-UHFFFAOYSA-N 0 0 213.302 2.378 50 0 BEAARN CCOC(=O)c1c[nH]cc1-c1ccncc1 ZINC000005844705 170290248 /nfs/dbraw/zinc/29/02/48/170290248.db2.gz JPDVHPANJIDEHD-UHFFFAOYSA-N 0 0 216.240 2.253 50 0 BEAARN CCOC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000003882295 170290803 /nfs/dbraw/zinc/29/08/03/170290803.db2.gz AZZHJDRWBMQEKD-UHFFFAOYSA-N 0 0 216.240 2.253 50 0 BEAARN CCOC(=O)c1cc(-c2cccs2)[nH]n1 ZINC000004277673 170290977 /nfs/dbraw/zinc/29/09/77/170290977.db2.gz NTCRDZSJYGZRIE-UHFFFAOYSA-N 0 0 222.269 2.315 50 0 BEAARN CCOC(=O)c1cc2c(Cl)cc[nH]c-2n1 ZINC000067176084 170293091 /nfs/dbraw/zinc/29/30/91/170293091.db2.gz VIQFVDJCEMGLQQ-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1cc2ccc(F)cc2[nH]1 ZINC000002384050 170293555 /nfs/dbraw/zinc/29/35/55/170293555.db2.gz KOLXHQLPMICACW-UHFFFAOYSA-N 0 0 207.204 2.484 50 0 BEAARN CCOC(=O)c1cc2cc(Cl)c[nH]c-2n1 ZINC000040434502 170293758 /nfs/dbraw/zinc/29/37/58/170293758.db2.gz MCPIPCPCQWSNDL-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1cc2cc(N)ccc2o1 ZINC000012336529 170293856 /nfs/dbraw/zinc/29/38/56/170293856.db2.gz YFFLLDHEEWSHQG-UHFFFAOYSA-N 0 0 205.213 2.192 50 0 BEAARN CCOC(=O)c1cc2[nH]ccc(Cl)c-2n1 ZINC000095644241 170294847 /nfs/dbraw/zinc/29/48/47/170294847.db2.gz IQAJNQSVNXHPCE-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1ccc(N(CC)C(C)C)nc1 ZINC000095951853 170296248 /nfs/dbraw/zinc/29/62/48/170296248.db2.gz YAYUKJWKPZHLHU-UHFFFAOYSA-N 0 0 236.315 2.493 50 0 BEAARN CCOC(=O)c1cccc(Br)c1N ZINC000037475352 170298648 /nfs/dbraw/zinc/29/86/48/170298648.db2.gz MSSHUVIRFCGOPM-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1ccsc1NC(=O)C1CC1 ZINC000004275712 170300834 /nfs/dbraw/zinc/30/08/34/170300834.db2.gz XEQVGTYYOXPUFX-UHFFFAOYSA-N 0 0 239.296 2.273 50 0 BEAARN CCOC(=O)c1cnc2c(c1)C(=O)CC(C)(C)C2 ZINC000020358017 170302342 /nfs/dbraw/zinc/30/23/42/170302342.db2.gz XAIRHYGGDDMHRS-UHFFFAOYSA-N 0 0 247.294 2.413 50 0 BEAARN CCOC(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC000091692634 170302358 /nfs/dbraw/zinc/30/23/58/170302358.db2.gz BZIKWZHREHOEEN-UHFFFAOYSA-N 0 0 217.224 2.117 50 0 BEAARN CCOC(=O)c1cnc2cccc(Cl)n12 ZINC000038540350 170302452 /nfs/dbraw/zinc/30/24/52/170302452.db2.gz GIGAHGCKVFWBNI-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1cnc2ccc(C)cc2c1N ZINC000026507418 170302598 /nfs/dbraw/zinc/30/25/98/170302598.db2.gz RCLHHLVUUUZWRW-UHFFFAOYSA-N 0 0 230.267 2.302 50 0 BEAARN CCOC(=O)c1cnc2c(O)cccc2c1 ZINC000091692878 170302646 /nfs/dbraw/zinc/30/26/46/170302646.db2.gz JONFCTYYAHIBKK-UHFFFAOYSA-N 0 0 217.224 2.117 50 0 BEAARN CCOC(=O)c1coc(-c2ccccc2N)n1 ZINC000074937764 170304203 /nfs/dbraw/zinc/30/42/03/170304203.db2.gz ZWCFZYNFZFNPQE-UHFFFAOYSA-N 0 0 232.239 2.101 50 0 BEAARN CCOC(=O)c1cnn2cccc2c1Cl ZINC000091692250 170304752 /nfs/dbraw/zinc/30/47/52/170304752.db2.gz UTXYKDLFJFGLBQ-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1csc(N2CCCCC2)n1 ZINC000034447489 170306086 /nfs/dbraw/zinc/30/60/86/170306086.db2.gz YDNOYPUXHJNTPT-UHFFFAOYSA-N 0 0 240.328 2.310 50 0 BEAARN CCOC(=O)c1ncc(Cl)cc1C(C)=O ZINC000043827910 170307461 /nfs/dbraw/zinc/30/74/61/170307461.db2.gz FRNOROCGPZNZEO-UHFFFAOYSA-N 0 0 227.647 2.114 50 0 BEAARN CCOC(=O)c1oc2c(c1C)C(=O)CSC2 ZINC000005266025 170310131 /nfs/dbraw/zinc/31/01/31/170310131.db2.gz MBHHWANRWNTXHO-UHFFFAOYSA-N 0 0 240.280 2.194 50 0 BEAARN CCOC(=O)c1sc(-n2cccc2)nc1C ZINC000000121359 170310552 /nfs/dbraw/zinc/31/05/52/170310552.db2.gz WZMFHZGFBDLDTG-UHFFFAOYSA-N 0 0 236.296 2.419 50 0 BEAARN CCOC(=O)c1sc2cnccc2c1N ZINC000044831952 170310896 /nfs/dbraw/zinc/31/08/96/170310896.db2.gz DFIKVPXLHNEQMU-UHFFFAOYSA-N 0 0 222.269 2.055 50 0 BEAARN CCOC(=O)c1sc2cccnc2c1N ZINC000045028243 170311100 /nfs/dbraw/zinc/31/11/00/170311100.db2.gz ZUFCPBFANOWUSQ-UHFFFAOYSA-N 0 0 222.269 2.055 50 0 BEAARN CCOC(COc1ccc(OC)cc1)OCC ZINC000000056962 170316520 /nfs/dbraw/zinc/31/65/20/170316520.db2.gz XWIJNGRJPFEZIF-UHFFFAOYSA-N 0 0 240.299 2.473 50 0 BEAARN CCOCC(=O)N[C@H]1CCCC[C@H]1SCC ZINC000096456052 170347079 /nfs/dbraw/zinc/34/70/79/170347079.db2.gz QJSWIDIUTOJGKL-WDEREUQCSA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000097055471 170348272 /nfs/dbraw/zinc/34/82/72/170348272.db2.gz ASAYBBAIOLSNKU-IAQYHMDHSA-N 0 0 247.338 2.381 50 0 BEAARN CCOCC(=O)Nc1ccc2c(c1)CCC2 ZINC000033028963 170349338 /nfs/dbraw/zinc/34/93/38/170349338.db2.gz XYOCMFRAEIFRHV-UHFFFAOYSA-N 0 0 219.284 2.150 50 0 BEAARN CCOCCC(=O)NCC1(CC)CCCC1 ZINC000096473345 170360506 /nfs/dbraw/zinc/36/05/06/170360506.db2.gz CEJPIPWPXRDOEW-UHFFFAOYSA-N 0 0 227.348 2.500 50 0 BEAARN CCOCCC(=O)Nc1cc(CC)ccc1O ZINC000080656288 170362747 /nfs/dbraw/zinc/36/27/47/170362747.db2.gz UFDYTZWTKARZJY-UHFFFAOYSA-N 0 0 237.299 2.320 50 0 BEAARN CCOCCC(=O)Nc1cccc(C)c1O ZINC000079014459 170362834 /nfs/dbraw/zinc/36/28/34/170362834.db2.gz AJQGNQKTXOIKOC-UHFFFAOYSA-N 0 0 223.272 2.066 50 0 BEAARN CCOCCC(=O)Nc1ccccc1F ZINC000004825779 170363665 /nfs/dbraw/zinc/36/36/65/170363665.db2.gz GJOBSJWBVLECCL-UHFFFAOYSA-N 0 0 211.236 2.191 50 0 BEAARN CCOCCCNC(=O)/C=C\c1ccccc1 ZINC000033448964 170376400 /nfs/dbraw/zinc/37/64/00/170376400.db2.gz PTZFSNQIGJBBGG-KTKRTIGZSA-N 0 0 233.311 2.243 50 0 BEAARN CCOCCCNC(=O)c1c(F)cccc1F ZINC000040489492 170379089 /nfs/dbraw/zinc/37/90/89/170379089.db2.gz WFGOSFJXSNZBTE-UHFFFAOYSA-N 0 0 243.253 2.121 50 0 BEAARN CCOC[C@H](C)Nc1cccc(CO)c1 ZINC000195566464 170448637 /nfs/dbraw/zinc/44/86/37/170448637.db2.gz DSILNDLENHXOMB-JTQLQIEISA-N 0 0 209.289 2.016 50 0 BEAARN CCONC(=O)CCCOc1ccccc1C ZINC000040490122 170461668 /nfs/dbraw/zinc/46/16/68/170461668.db2.gz SJMLYNGPUZBVBE-UHFFFAOYSA-N 0 0 237.299 2.222 50 0 BEAARN CCONC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000040513501 170468149 /nfs/dbraw/zinc/46/81/49/170468149.db2.gz XWNKLOGDABATGU-UHFFFAOYSA-N 0 0 246.266 2.331 50 0 BEAARN CCOP(=O)(OCC)ONCc1ccco1 ZINC000004787238 170470141 /nfs/dbraw/zinc/47/01/41/170470141.db2.gz WOHZQMODSGQLJH-UHFFFAOYSA-N 0 0 249.203 2.482 50 0 BEAARN CCO[C@@H](C)C(=O)NCc1ccc(C)s1 ZINC000058424136 170473160 /nfs/dbraw/zinc/47/31/60/170473160.db2.gz DCHXWPRWXGEPSM-VIFPVBQESA-N 0 0 227.329 2.098 50 0 BEAARN CCO[C@@H](C)c1nccn1C[C@@H]1CCCO1 ZINC000097378332 170476311 /nfs/dbraw/zinc/47/63/11/170476311.db2.gz GIEUHGHMXAXHPG-QWRGUYRKSA-N 0 0 224.304 2.160 50 0 BEAARN CCO[C@H](C)C(=O)N1CCC[C@H](CC)C1 ZINC000040534002 170497174 /nfs/dbraw/zinc/49/71/74/170497174.db2.gz KQPNHULJUJXFBJ-MNOVXSKESA-N 0 0 213.321 2.060 50 0 BEAARN CCO[C@H]1C[C@@H](NC(=O)C2CCC2)C1(C)C ZINC000071915421 170506972 /nfs/dbraw/zinc/50/69/72/170506972.db2.gz FMXVPPBHMPIQLY-MNOVXSKESA-N 0 0 225.332 2.106 50 0 BEAARN CCOc1cc(=O)oc2ccc(F)cc12 ZINC000000058043 170516019 /nfs/dbraw/zinc/51/60/19/170516019.db2.gz ZBDYDCPYWZBECM-UHFFFAOYSA-N 0 0 208.188 2.331 50 0 BEAARN CCOc1ccc(N2CCC(C)(C)C2)nn1 ZINC000096007449 170549927 /nfs/dbraw/zinc/54/99/27/170549927.db2.gz VNZAXOHEJWVJNX-UHFFFAOYSA-N 0 0 221.304 2.112 50 0 BEAARN CCOc1ccc(NC(=O)N(C)C)cc1 ZINC000005863455 170550578 /nfs/dbraw/zinc/55/05/78/170550578.db2.gz ACOZWFISMVUEHN-UHFFFAOYSA-N 0 0 208.261 2.179 50 0 BEAARN CCOc1cccc(CNC(=O)CC)c1 ZINC000048376277 170577582 /nfs/dbraw/zinc/57/75/82/170577582.db2.gz QFWZDVMHZWOQLI-UHFFFAOYSA-N 0 0 207.273 2.112 50 0 BEAARN CCS(=O)(=O)N[C@H](c1ccccc1)C(C)C ZINC000048903786 170620408 /nfs/dbraw/zinc/62/04/08/170620408.db2.gz HHBWFFLNMFXESC-LBPRGKRZSA-N 0 0 241.356 2.323 50 0 BEAARN CCSc1nc2nccc(-c3ccco3)n2n1 ZINC000065363173 170657810 /nfs/dbraw/zinc/65/78/10/170657810.db2.gz XCAPWFDALXRYOP-UHFFFAOYSA-N 0 0 246.295 2.496 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000065412585 170682487 /nfs/dbraw/zinc/68/24/87/170682487.db2.gz XYQZYGFBKBRIFA-SNVBAGLBSA-N 0 0 244.298 2.252 50 0 BEAARN CC[C@@H](C)NC(=O)COc1ccccc1F ZINC000049535049 170740207 /nfs/dbraw/zinc/74/02/07/170740207.db2.gz ODZUABOPEWLVQW-SECBINFHSA-N 0 0 225.263 2.119 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000000060673 170748665 /nfs/dbraw/zinc/74/86/65/170748665.db2.gz UZVRBGFSWNVIHK-SECBINFHSA-N 0 0 234.299 2.173 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)Cc1ccccc1C ZINC000016578026 170755087 /nfs/dbraw/zinc/75/50/87/170755087.db2.gz FYEZITUNKGBISG-LLVKDONJSA-N 0 0 241.356 2.213 50 0 BEAARN CC[C@@H](C)[C@@H](C)N(C(=O)c1cncn1C)C1CC1 ZINC000252492017 170769838 /nfs/dbraw/zinc/76/98/38/170769838.db2.gz MBALKFAENGLMRX-GHMZBOCLSA-N 0 0 249.358 2.459 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000071840232 411916412 /nfs/dbraw/zinc/91/64/12/411916412.db2.gz WHVCWCZMWYWXEO-XBFCOCLRSA-N 0 0 245.322 2.243 50 0 BEAARN CC[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000049333960 170906738 /nfs/dbraw/zinc/90/67/38/170906738.db2.gz LCYOLFHZHONPME-SNVBAGLBSA-N 0 0 247.747 2.340 50 0 BEAARN CC[C@@H](O)Cn1ncnc1-c1cc(F)ccc1C ZINC000091651150 170937612 /nfs/dbraw/zinc/93/76/12/170937612.db2.gz MPYWDJBMTFMZNX-LLVKDONJSA-N 0 0 249.289 2.164 50 0 BEAARN CC[C@@H](Sc1nc2ccccc2o1)C(N)=O ZINC000000175296 170951048 /nfs/dbraw/zinc/95/10/48/170951048.db2.gz XNKYTIRNYODOHO-SECBINFHSA-N 0 0 236.296 2.184 50 0 BEAARN CC[C@@](C)(O)CNC(=O)Nc1ccc(C)cc1 ZINC000058202467 171182014 /nfs/dbraw/zinc/18/20/14/171182014.db2.gz LFXJAIFDOSRBLE-CYBMUJFWSA-N 0 0 236.315 2.278 50 0 BEAARN CC[C@@]1(C)Cc2ccccc2C(=CC(=O)NC)N1 ZINC000100748693 171208587 /nfs/dbraw/zinc/20/85/87/171208587.db2.gz CFXIRKHVEORDTD-GLNPCMGASA-N 0 0 244.338 2.088 50 0 biogenic BEAARN CC[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000000030721 171224569 /nfs/dbraw/zinc/22/45/69/171224569.db2.gz QQJLGMMQCBPJAO-ZDUSSCGKSA-N 0 0 233.311 2.039 50 0 BEAARN CC[C@H](C)C(=O)NCc1ccccc1COC ZINC000036394862 171252112 /nfs/dbraw/zinc/25/21/12/171252112.db2.gz WQXVOPBPLHYTSD-NSHDSACASA-N 0 0 235.327 2.495 50 0 BEAARN CC[C@H](C)C(=O)NOCc1ccccc1 ZINC000040488089 171252708 /nfs/dbraw/zinc/25/27/08/171252708.db2.gz BAXQFDFCFWTGPI-JTQLQIEISA-N 0 0 207.273 2.281 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000065412586 171254370 /nfs/dbraw/zinc/25/43/70/171254370.db2.gz XYQZYGFBKBRIFA-JTQLQIEISA-N 0 0 244.298 2.252 50 0 BEAARN CC[C@H](C)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000330032475 171319249 /nfs/dbraw/zinc/31/92/49/171319249.db2.gz NUXBBVYHFWQUDU-NSHDSACASA-N 0 0 247.404 2.074 50 0 BEAARN CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000004611332 171321936 /nfs/dbraw/zinc/32/19/36/171321936.db2.gz JJJNJXHDTMQBEK-NSHDSACASA-N 0 0 248.326 2.157 50 0 BEAARN CC[C@H](C)NC(=O)Cc1ccc(C)cc1 ZINC000000578083 171327166 /nfs/dbraw/zinc/32/71/66/171327166.db2.gz FQMPCKQIRZULPV-NSHDSACASA-N 0 0 205.301 2.452 50 0 BEAARN CC[C@H](C)NC(=O)CSc1ccccn1 ZINC000032910051 171327200 /nfs/dbraw/zinc/32/72/00/171327200.db2.gz ZRIFGOAUBNLCOT-VIFPVBQESA-N 0 0 224.329 2.088 50 0 BEAARN CC[C@H](C)NC(=O)Cn1nc(C)c2ccccc21 ZINC000015671555 171328271 /nfs/dbraw/zinc/32/82/71/171328271.db2.gz WUTWQLKVXVNTJD-JTQLQIEISA-N 0 0 245.326 2.259 50 0 BEAARN CC[C@H](C)NC(=O)N(CC)Cc1ccncc1 ZINC000013745931 171328605 /nfs/dbraw/zinc/32/86/05/171328605.db2.gz TVZDLZUFVXKRTD-NSHDSACASA-N 0 0 235.331 2.412 50 0 BEAARN CC[C@H](C)NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000012891743 171335658 /nfs/dbraw/zinc/33/56/58/171335658.db2.gz WMSAJLYXXMAPRW-QMMMGPOBSA-N 0 0 248.326 2.370 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(C(=O)OC)cc1 ZINC000010454580 171336472 /nfs/dbraw/zinc/33/64/72/171336472.db2.gz CECRBQBLPXOMTO-VIFPVBQESA-N 0 0 235.283 2.002 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000000060674 171337125 /nfs/dbraw/zinc/33/71/25/171337125.db2.gz UZVRBGFSWNVIHK-VIFPVBQESA-N 0 0 234.299 2.173 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(OC)c(OC)c1 ZINC000000439675 171337268 /nfs/dbraw/zinc/33/72/68/171337268.db2.gz GTRJZYJHQHISNI-VIFPVBQESA-N 0 0 237.299 2.232 50 0 BEAARN CC[C@H](C)NC(=O)c1cn2c(cccc2C)n1 ZINC000032873705 171338218 /nfs/dbraw/zinc/33/82/18/171338218.db2.gz MGVODWSFIFOTDT-VIFPVBQESA-N 0 0 231.299 2.171 50 0 BEAARN CC[C@H](C)OCC(=O)Nc1c(C)cccc1O ZINC000095995396 171354797 /nfs/dbraw/zinc/35/47/97/171354797.db2.gz LRNXTEKPRMHCNJ-JTQLQIEISA-N 0 0 237.299 2.454 50 0 BEAARN CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)[O-] ZINC000266601036 171469359 /nfs/dbraw/zinc/46/93/59/171469359.db2.gz QZZMQWZZFMQJRD-CYBMUJFWSA-N 0 0 235.327 2.333 50 0 BEAARN CC[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000006726459 171505034 /nfs/dbraw/zinc/50/50/34/171505034.db2.gz IUMMHAKYCBGADK-STQMWFEESA-N 0 0 233.311 2.433 50 0 BEAARN CC(C)C(=O)Nc1nc2ccc(N)cc2s1 ZINC000022212116 412263247 /nfs/dbraw/zinc/26/32/47/412263247.db2.gz ZDNOJMGBQFOANG-UHFFFAOYSA-N 0 0 235.312 2.473 50 0 BEAARN CC[C@H](Oc1cccc(Cl)c1)C(=O)NC ZINC000020483098 171591075 /nfs/dbraw/zinc/59/10/75/171591075.db2.gz LSXRXYPNEYCMLH-JTQLQIEISA-N 0 0 227.691 2.243 50 0 BEAARN CC[C@H]1CCCCN1C(=O)CSCCOC ZINC000044911677 171605226 /nfs/dbraw/zinc/60/52/26/171605226.db2.gz LDPJHXACOPFBIS-NSHDSACASA-N 0 0 245.388 2.157 50 0 BEAARN CC[C@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000004083889 171682805 /nfs/dbraw/zinc/68/28/05/171682805.db2.gz OOJCKCNYTLTQGT-PWSUYJOCSA-N 0 0 244.294 2.218 50 0 BEAARN CC[C@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000004083887 171682966 /nfs/dbraw/zinc/68/29/66/171682966.db2.gz OOJCKCNYTLTQGT-ZYHUDNBSSA-N 0 0 244.294 2.218 50 0 BEAARN CCc1[nH]c(=O)cc2cc(OC)c(OC)cc21 ZINC000008637123 171731782 /nfs/dbraw/zinc/73/17/82/171731782.db2.gz DCVWACZNVRBNJN-UHFFFAOYSA-N 0 0 233.267 2.108 50 0 BEAARN CCc1c[nH]c(SCCCOC)n1 ZINC000089282714 171746142 /nfs/dbraw/zinc/74/61/42/171746142.db2.gz WEXRWROKHSDYKY-UHFFFAOYSA-N 0 0 200.307 2.101 50 0 BEAARN CCc1cc(-c2nc([C@@H]3CCOC3)no2)ccn1 ZINC000096180440 171746688 /nfs/dbraw/zinc/74/66/88/171746688.db2.gz PFEWSGYBFYNGIJ-SNVBAGLBSA-N 0 0 245.282 2.198 50 0 BEAARN CCc1ccc(CC2(C(=O)[O-])CC[NH2+]CC2)cc1 ZINC000041299198 171790515 /nfs/dbraw/zinc/79/05/15/171790515.db2.gz FHLCORMARZCLEK-UHFFFAOYSA-N 0 0 247.338 2.246 50 0 BEAARN CCc1ccsc1C(=O)Nc1cnn(C)c1 ZINC000048891770 171906815 /nfs/dbraw/zinc/90/68/15/171906815.db2.gz QTHNJYMFSIZXJJ-UHFFFAOYSA-N 0 0 235.312 2.296 50 0 BEAARN CCc1nc2c(c3ccccc3oc2=O)n1C ZINC000006733208 172009222 /nfs/dbraw/zinc/00/92/22/172009222.db2.gz RAIMNDNMKVFTPA-UHFFFAOYSA-N 0 0 228.251 2.242 50 0 BEAARN CCc1nc2nccc(-c3ccccc3)n2n1 ZINC000065362708 172014838 /nfs/dbraw/zinc/01/48/38/172014838.db2.gz DIJROJIHLHFHBR-UHFFFAOYSA-N 0 0 224.267 2.354 50 0 BEAARN CCc1c(C)sc2[nH]c(CC)nc(=O)c12 ZINC000048412239 172015380 /nfs/dbraw/zinc/01/53/80/172015380.db2.gz JRNZBYHBESYOFD-UHFFFAOYSA-N 0 0 222.313 2.418 50 0 BEAARN CCc1nccn1Cc1cc(C=O)ccc1OC ZINC000004541165 172028264 /nfs/dbraw/zinc/02/82/64/172028264.db2.gz AODKAVPABUIILS-UHFFFAOYSA-N 0 0 244.294 2.315 50 0 BEAARN CCc1ncnc2cc(OC)c(OC)cc21 ZINC000000002014 172033860 /nfs/dbraw/zinc/03/38/60/172033860.db2.gz STAYVYIMUXVGBN-UHFFFAOYSA-N 0 0 218.256 2.209 50 0 in-man BEAARN CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000064556995 172045068 /nfs/dbraw/zinc/04/50/68/172045068.db2.gz BJBSEARHDCWBAC-UHFFFAOYSA-N 0 0 218.212 2.028 50 0 BEAARN CCc1nnc(COc2ccccc2F)o1 ZINC000069486414 172055454 /nfs/dbraw/zinc/05/54/54/172055454.db2.gz SFEGEVIRWKHYKI-UHFFFAOYSA-N 0 0 222.219 2.350 50 0 BEAARN CCc1nnc(NCc2csc(C)n2)o1 ZINC000295992139 172059973 /nfs/dbraw/zinc/05/99/73/172059973.db2.gz NUIIFKAJJOYTDF-UHFFFAOYSA-N 0 0 224.289 2.009 50 0 BEAARN CCC1N=NC(=S)N1Cc1ccc(C)cc1 ZINC000006489984 172061258 /nfs/dbraw/zinc/06/12/58/172061258.db2.gz XRHHGPIJDOMILR-UHFFFAOYSA-N 0 0 233.340 2.486 50 0 BEAARN CCc1noc(C)c1C(=O)NCc1ccccc1 ZINC000013327335 172074730 /nfs/dbraw/zinc/07/47/30/172074730.db2.gz YWCXLBNJWSMIFU-UHFFFAOYSA-N 0 0 244.294 2.475 50 0 BEAARN CCc1noc(C)c1C(=O)N[C@@H](C)CC ZINC000013330499 172075201 /nfs/dbraw/zinc/07/52/01/172075201.db2.gz IJEWIJHLDUSUJD-ZETCQYMHSA-N 0 0 210.277 2.074 50 0 BEAARN CCc1noc(CN(C)Cc2ccc(F)cc2)n1 ZINC000069530225 172082930 /nfs/dbraw/zinc/08/29/30/172082930.db2.gz IAEWGVNKCBDGHJ-UHFFFAOYSA-N 0 0 249.289 2.403 50 0 BEAARN CCc1noc(CN2CCc3sccc3C2)n1 ZINC000044897072 172085679 /nfs/dbraw/zinc/08/56/79/172085679.db2.gz DRWAROWQRKUEMH-UHFFFAOYSA-N 0 0 249.339 2.252 50 0 BEAARN CCc1noc([C@H](C)N2CCCCC2)n1 ZINC000069381232 172090345 /nfs/dbraw/zinc/09/03/45/172090345.db2.gz NFQUVZJNQCSPFL-VIFPVBQESA-N 0 0 209.293 2.179 50 0 BEAARN CCc1noc2ncnc(NCc3ccco3)c12 ZINC000064837306 172093513 /nfs/dbraw/zinc/09/35/13/172093513.db2.gz XQGAFPQMHNAYIG-UHFFFAOYSA-N 0 0 244.254 2.385 50 0 BEAARN CCc1nsc(N2CCC[C@H]2CF)n1 ZINC000336381620 172104856 /nfs/dbraw/zinc/10/48/56/172104856.db2.gz OACKOFNKHFYZLS-ZETCQYMHSA-N 0 0 215.297 2.039 50 0 BEAARN CCc1sc(C(=O)N2CCOCC2)cc1C ZINC000040460729 172128537 /nfs/dbraw/zinc/12/85/37/172128537.db2.gz QKWXJWDBTLZTGV-UHFFFAOYSA-N 0 0 239.340 2.091 50 0 BEAARN CCc1sc(=N)n(C)c1-c1ccc(OC)cc1 ZINC000000479832 172129770 /nfs/dbraw/zinc/12/97/70/172129770.db2.gz WEPQZJRAISIKRX-UHFFFAOYSA-O 0 0 249.359 2.393 50 0 BEAARN CCn1c(=N)sc2cc(F)cc(F)c21 ZINC000100968379 172130512 /nfs/dbraw/zinc/13/05/12/172130512.db2.gz IHDBIANSCIUQEW-UHFFFAOYSA-N 0 0 214.240 2.480 50 0 BEAARN CCn1c(C)nc2cc(C(=O)N(C)C)ccc21 ZINC000000110396 172137416 /nfs/dbraw/zinc/13/74/16/172137416.db2.gz GKDBNUZCHOBWAW-UHFFFAOYSA-N 0 0 231.299 2.066 50 0 BEAARN CCn1c(CN(C)C(C)=O)nc2ccccc21 ZINC000009250271 172144793 /nfs/dbraw/zinc/14/47/93/172144793.db2.gz KONSXPXNQHKGPU-UHFFFAOYSA-N 0 0 231.299 2.035 50 0 BEAARN CCn1c(=O)[nH]nc1SCc1ccc(C)cc1 ZINC000009514478 172147852 /nfs/dbraw/zinc/14/78/52/172147852.db2.gz GGNDZNCHFYXCMA-UHFFFAOYSA-N 0 0 249.339 2.192 50 0 BEAARN CCn1c2ccccc2nc1S[C@@H](C)C(N)=O ZINC000004484507 172148082 /nfs/dbraw/zinc/14/80/82/172148082.db2.gz YQOXMPCQHKNUOR-QMMMGPOBSA-N 0 0 249.339 2.022 50 0 BEAARN CCn1cc(-c2nc3ccccc3[nH]2)cn1 ZINC000012397141 172149973 /nfs/dbraw/zinc/14/99/73/172149973.db2.gz ZPTIMFYMSBXCHQ-UHFFFAOYSA-N 0 0 212.256 2.446 50 0 BEAARN CCn1cc(C(=O)OCc2ccsc2)cn1 ZINC000096442682 172156580 /nfs/dbraw/zinc/15/65/80/172156580.db2.gz ICBMATVUTWXJCC-UHFFFAOYSA-N 0 0 236.296 2.322 50 0 BEAARN CCn1cc(CN(C)C(=O)CC(C)(C)C)cn1 ZINC000032648317 172160212 /nfs/dbraw/zinc/16/02/12/172160212.db2.gz PASVWGKOSSYPIE-UHFFFAOYSA-N 0 0 237.347 2.298 50 0 BEAARN CCn1cc(NC(=O)CCc2ccccc2)cn1 ZINC000058327657 172179403 /nfs/dbraw/zinc/17/94/03/172179403.db2.gz LBAOPXKJJZUUDX-UHFFFAOYSA-N 0 0 243.310 2.474 50 0 BEAARN CCn1cc(NC(=O)c2ccccc2F)cn1 ZINC000037501555 172183782 /nfs/dbraw/zinc/18/37/82/172183782.db2.gz YBBWCBSFUVDAJK-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN CCn1cc2nc(Cl)nc(Cl)c2n1 ZINC000169798993 172198802 /nfs/dbraw/zinc/19/88/02/172198802.db2.gz BWHAJCRXKMRHKV-UHFFFAOYSA-N 0 0 217.059 2.153 50 0 BEAARN CCn1ccc(CNC(=O)c2ccc(C)cc2)n1 ZINC000002796495 172201571 /nfs/dbraw/zinc/20/15/71/172201571.db2.gz HXBDJTGCIIETBM-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1nc(C)c(N[C@H]2CCO[C@@H]2C)c1C ZINC000134510708 172248425 /nfs/dbraw/zinc/24/84/25/172248425.db2.gz YTOVUHDFMVESEQ-MNOVXSKESA-N 0 0 223.320 2.109 50 0 BEAARN CCn1ncc(-c2cc[nH]c(=S)n2)c1C ZINC000008339736 172251515 /nfs/dbraw/zinc/25/15/15/172251515.db2.gz GRVKVQMKUBMNRH-UHFFFAOYSA-N 0 0 220.301 2.331 50 0 BEAARN CCn1ncc(CNC(=O)c2cccs2)c1C ZINC000002760274 172255006 /nfs/dbraw/zinc/25/50/06/172255006.db2.gz IFWNLNVEONHJFV-UHFFFAOYSA-N 0 0 249.339 2.203 50 0 BEAARN CCn1nccc1CN(C)[C@H](C)c1cccnc1 ZINC000195561944 172265027 /nfs/dbraw/zinc/26/50/27/172265027.db2.gz CQUWDNPIDPDENL-GFCCVEGCSA-N 0 0 244.342 2.491 50 0 BEAARN CCn1nccc1CNC(=O)c1cccc(C)c1 ZINC000002800430 172267991 /nfs/dbraw/zinc/26/79/91/172267991.db2.gz BAIIHZMWTKSXNS-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1nccc1CNC(=O)c1sccc1C ZINC000028219511 172268008 /nfs/dbraw/zinc/26/80/08/172268008.db2.gz ANKKUTGFGFFFAT-UHFFFAOYSA-N 0 0 249.339 2.203 50 0 BEAARN CN(C(=O)C1CC1)[C@H]1CCCc2cccnc21 ZINC000225530148 172298036 /nfs/dbraw/zinc/29/80/36/172298036.db2.gz KMNKNYNLKXFQQJ-LBPRGKRZSA-N 0 0 230.311 2.327 50 0 BEAARN CN(C(=O)Nc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000072119360 172323970 /nfs/dbraw/zinc/32/39/70/172323970.db2.gz NWWCKEPASDZLGD-OLZOCXBDSA-N 0 0 248.326 2.454 50 0 BEAARN CN(C(=O)Nc1cccc(F)c1)C1CC1 ZINC000058393611 172324080 /nfs/dbraw/zinc/32/40/80/172324080.db2.gz SPDWIZZMGFESKW-UHFFFAOYSA-N 0 0 208.236 2.452 50 0 BEAARN CN(C(=O)[C@@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000032905635 172327288 /nfs/dbraw/zinc/32/72/88/172327288.db2.gz VGTZOVPZYUVKOL-KBPBESRZSA-N 0 0 245.322 2.311 50 0 BEAARN CN(C(=O)[C@@H]1CCCO1)C1CCCCCC1 ZINC000032857956 172327312 /nfs/dbraw/zinc/32/73/12/172327312.db2.gz ZUPKJPXWGGDFGP-LBPRGKRZSA-N 0 0 225.332 2.347 50 0 BEAARN CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000032905634 172328031 /nfs/dbraw/zinc/32/80/31/172328031.db2.gz VGTZOVPZYUVKOL-KGLIPLIRSA-N 0 0 245.322 2.311 50 0 BEAARN CN(C(=O)c1ccncc1)C1CCCC1 ZINC000032845556 172344000 /nfs/dbraw/zinc/34/40/00/172344000.db2.gz XIDLECRGKXHVBD-UHFFFAOYSA-N 0 0 204.273 2.096 50 0 BEAARN CN(C(=O)c1cn2ccccc2n1)C1CCCC1 ZINC000048708870 172344991 /nfs/dbraw/zinc/34/49/91/172344991.db2.gz WYVSCXPNDBUUAY-UHFFFAOYSA-N 0 0 243.310 2.349 50 0 BEAARN CN(C)C(=O)CCSc1ccc(F)cc1 ZINC000047651317 172361373 /nfs/dbraw/zinc/36/13/73/172361373.db2.gz GBUZGTQPIGHKBB-UHFFFAOYSA-N 0 0 227.304 2.396 50 0 BEAARN CN(C)C(=O)CCc1ccc2c(ccn2C)c1 ZINC000064542691 172361520 /nfs/dbraw/zinc/36/15/20/172361520.db2.gz HAUFOPRCFCBZHY-UHFFFAOYSA-N 0 0 230.311 2.199 50 0 BEAARN CN(C)C(=O)CCc1ccc2ccn(C)c2c1 ZINC000064542747 172361956 /nfs/dbraw/zinc/36/19/56/172361956.db2.gz OKCSHKUKJKAGLV-UHFFFAOYSA-N 0 0 230.311 2.199 50 0 BEAARN CN(C)C(=O)CSc1nccc2ccccc21 ZINC000015109022 172373699 /nfs/dbraw/zinc/37/36/99/172373699.db2.gz LXJBVIUHUYXENJ-UHFFFAOYSA-N 0 0 246.335 2.415 50 0 BEAARN CN(C)C(=O)NCc1ccc(Cl)cc1 ZINC000002933967 172381124 /nfs/dbraw/zinc/38/11/24/172381124.db2.gz YTQYQKJCVPKRHR-UHFFFAOYSA-N 0 0 212.680 2.111 50 0 BEAARN CN(C)C(=O)Nc1cnccc1C(F)(F)F ZINC000000077366 172382928 /nfs/dbraw/zinc/38/29/28/172382928.db2.gz CPIMHHOJTHKVNA-UHFFFAOYSA-N 0 0 233.193 2.194 50 0 BEAARN CN(C)C(=O)[C@H]1SCCc2ccccc21 ZINC000079452015 172387410 /nfs/dbraw/zinc/38/74/10/172387410.db2.gz QOSCZQIPHVIQHI-NSHDSACASA-N 0 0 221.325 2.105 50 0 BEAARN CN(C)C(=O)c1cc(C2CCCC2)no1 ZINC000073009597 172387962 /nfs/dbraw/zinc/38/79/62/172387962.db2.gz QYOQNADAZVRFOV-UHFFFAOYSA-N 0 0 208.261 2.034 50 0 BEAARN CN(C)C(=O)c1ccc(Cl)cc1F ZINC000052538833 172389658 /nfs/dbraw/zinc/38/96/58/172389658.db2.gz WJKCHVCZWNBJPF-UHFFFAOYSA-N 0 0 201.628 2.181 50 0 BEAARN CN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC000117094534 172390308 /nfs/dbraw/zinc/39/03/08/172390308.db2.gz CFTIEERQYDTPAZ-UHFFFAOYSA-N 0 0 201.628 2.181 50 0 BEAARN CN(Cc1cccc2ccccc21)S(C)(=O)=O ZINC000049239067 172866995 /nfs/dbraw/zinc/86/69/95/172866995.db2.gz NHKIYESQGXOMQY-UHFFFAOYSA-N 0 0 249.335 2.231 50 0 BEAARN CN1C(=O)Cc2cc(NC(=O)C(C)(C)C)ccc21 ZINC000008803771 172967694 /nfs/dbraw/zinc/96/76/94/172967694.db2.gz OITDQYDXTBORDJ-UHFFFAOYSA-N 0 0 246.310 2.190 50 0 BEAARN CN1CCN(c2nc(C(C)(C)C)cs2)CC1 ZINC000000002127 173095612 /nfs/dbraw/zinc/09/56/12/173095612.db2.gz KJWKKFSEVNVWPM-UHFFFAOYSA-N 0 0 239.388 2.192 50 0 in-man BEAARN CN1CC[C@@H](SC2CCCCC2)C1=O ZINC000089375048 173127284 /nfs/dbraw/zinc/12/72/84/173127284.db2.gz PRWLYDLXCDSJGF-SNVBAGLBSA-N 0 0 213.346 2.283 50 0 BEAARN CN1CC[C@@H](SCc2ccccc2)C1=O ZINC000098010240 173128935 /nfs/dbraw/zinc/12/89/35/173128935.db2.gz DJQAMUIWDNETMN-LLVKDONJSA-N 0 0 221.325 2.151 50 0 BEAARN CNC(=O)/C=C\c1ccccc1OC(F)F ZINC000096405982 173212898 /nfs/dbraw/zinc/21/28/98/173212898.db2.gz FIHXTSPWDUDURP-SREVYHEPSA-N 0 0 227.210 2.047 50 0 BEAARN CNC(=O)CCCc1nc2ccccc2s1 ZINC000009313659 173244785 /nfs/dbraw/zinc/24/47/85/173244785.db2.gz DUHNCFYKDKFTJG-UHFFFAOYSA-N 0 0 234.324 2.365 50 0 BEAARN CNC(=O)CCSc1ccccc1F ZINC000057792525 173262997 /nfs/dbraw/zinc/26/29/97/173262997.db2.gz BERQQFYNGXPNLE-UHFFFAOYSA-N 0 0 213.277 2.054 50 0 BEAARN CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000057792323 173263516 /nfs/dbraw/zinc/26/35/16/173263516.db2.gz HZFGVRIGRCFKJH-WPRPVWTQSA-N 0 0 207.273 2.082 50 0 BEAARN CNC(=O)COc1ccc(Cl)cc1Cl ZINC000000555590 173279269 /nfs/dbraw/zinc/27/92/69/173279269.db2.gz NAJAPLUJJSQNEP-UHFFFAOYSA-N 0 0 234.082 2.118 50 0 BEAARN CNC(=O)COc1cc(C)ccc1C(C)C ZINC000047209542 173279355 /nfs/dbraw/zinc/27/93/55/173279355.db2.gz WTDGEJBSLLPJRR-UHFFFAOYSA-N 0 0 221.300 2.243 50 0 BEAARN CNC(=O)CSCCCc1cccc(C)c1 ZINC000179836222 173279529 /nfs/dbraw/zinc/27/95/29/173279529.db2.gz LTCCNXBCCJLSBB-UHFFFAOYSA-N 0 0 237.368 2.407 50 0 BEAARN CNC(=O)CSc1nc2ccccc2s1 ZINC000006169464 173280263 /nfs/dbraw/zinc/28/02/63/173280263.db2.gz PJKDXXAONUYZDW-UHFFFAOYSA-N 0 0 238.337 2.134 50 0 BEAARN CNC(=O)C[C@H](C)Nc1ccc(C)cc1C ZINC000095951433 173283040 /nfs/dbraw/zinc/28/30/40/173283040.db2.gz BAHGLGHNEYJAMJ-NSHDSACASA-N 0 0 220.316 2.240 50 0 BEAARN CNC(=O)Cc1ccc(Cl)cc1Cl ZINC000005392411 173283735 /nfs/dbraw/zinc/28/37/35/173283735.db2.gz KRHOGLARHGDUNL-UHFFFAOYSA-N 0 0 218.083 2.282 50 0 BEAARN CNC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000084661197 173284610 /nfs/dbraw/zinc/28/46/10/173284610.db2.gz KHNCMXNPIVFBPK-QMMMGPOBSA-N 0 0 208.261 2.144 50 0 BEAARN CNC(=O)NCCc1csc2ccccc12 ZINC000098008763 173290733 /nfs/dbraw/zinc/29/07/33/173290733.db2.gz OIVVYVAZZBWADK-UHFFFAOYSA-N 0 0 234.324 2.373 50 0 BEAARN CNC(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 ZINC000058161672 173291399 /nfs/dbraw/zinc/29/13/99/173291399.db2.gz VRQUGBDTCWXJDW-VIFPVBQESA-N 0 0 244.298 2.067 50 0 BEAARN CNC(=O)Nc1cc(Cl)cc2c1OCC2 ZINC000097145853 173292851 /nfs/dbraw/zinc/29/28/51/173292851.db2.gz YQTGKFKWFHJDOW-UHFFFAOYSA-N 0 0 226.663 2.026 50 0 BEAARN CNC(=O)Nc1cc(F)ccc1OC(F)F ZINC000089391661 173292871 /nfs/dbraw/zinc/29/28/71/173292871.db2.gz WLLANWIGUHOCAS-UHFFFAOYSA-N 0 0 234.177 2.178 50 0 BEAARN CNC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000069530178 173297099 /nfs/dbraw/zinc/29/70/99/173297099.db2.gz KUUYSXQZLCCTRM-ZDUSSCGKSA-N 0 0 233.311 2.433 50 0 BEAARN CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000058342436 173300282 /nfs/dbraw/zinc/30/02/82/173300282.db2.gz XYXPDHMUPJSMRW-VHSXEESVSA-N 0 0 209.676 2.190 50 0 BEAARN CNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000020488086 173304473 /nfs/dbraw/zinc/30/44/73/173304473.db2.gz PFQQYWKDKAOBLN-NSHDSACASA-N 0 0 221.300 2.125 50 0 BEAARN CNC(=O)c1cc(Br)cn1C(C)C ZINC000036858137 173309580 /nfs/dbraw/zinc/30/95/80/173309580.db2.gz BCPUJHJBLSMIPF-UHFFFAOYSA-N 0 0 245.120 2.191 50 0 BEAARN CNC(=O)c1cc2cccc3c2n1C[C@@H](C)S3 ZINC000064551723 173310137 /nfs/dbraw/zinc/31/01/37/173310137.db2.gz RTBZZYJEXVGILZ-MRVPVSSYSA-N 0 0 246.335 2.495 50 0 BEAARN CNC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000013011735 173310959 /nfs/dbraw/zinc/31/09/59/173310959.db2.gz QBTPZZFSYMBMHV-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN CNC(=O)c1cccc(-c2cccc(N)c2)c1 ZINC000085476811 173311356 /nfs/dbraw/zinc/31/13/56/173311356.db2.gz LKMIBUHKVVKHJH-UHFFFAOYSA-N 0 0 226.279 2.295 50 0 BEAARN CNC(=O)c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000012847190 173311774 /nfs/dbraw/zinc/31/17/74/173311774.db2.gz YWVMDCVTSDNIGW-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN CNC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000009500018 173314100 /nfs/dbraw/zinc/31/41/00/173314100.db2.gz UORGNVJBIVZKKT-UHFFFAOYSA-N 0 0 248.307 2.178 50 0 BEAARN CNC(=O)c1coc(-c2csc(C)n2)c1 ZINC000098009399 173314240 /nfs/dbraw/zinc/31/42/40/173314240.db2.gz WUOYJCTVLZFXLE-UHFFFAOYSA-N 0 0 222.269 2.071 50 0 BEAARN CNC(=O)c1oc(-c2ccccc2)nc1C ZINC000001397911 173314498 /nfs/dbraw/zinc/31/44/98/173314498.db2.gz CTGHSRVYHHBWCY-UHFFFAOYSA-N 0 0 216.240 2.010 50 0 BEAARN CNC(=S)N1CCc2[nH]c3ccccc3c2C1 ZINC000000487912 173315571 /nfs/dbraw/zinc/31/55/71/173315571.db2.gz HLUOODWZTOLBNI-UHFFFAOYSA-N 0 0 245.351 2.030 50 0 biogenic BEAARN COC(=O)/C=C/c1cccnc1Br ZINC000169620352 173497258 /nfs/dbraw/zinc/49/72/58/173497258.db2.gz PPIPYDGEMVKNGV-SNAWJCMRSA-N 0 0 242.072 2.030 50 0 BEAARN COC(=O)C(C)(C)c1ccc(N(C)C)cc1 ZINC000071863883 173507428 /nfs/dbraw/zinc/50/74/28/173507428.db2.gz JSECWDQHDQHJNO-UHFFFAOYSA-N 0 0 221.300 2.203 50 0 BEAARN COC(=O)COc1ccc2ccccc2c1 ZINC000002512374 173614747 /nfs/dbraw/zinc/61/47/47/173614747.db2.gz AMURPBCUFDCTEW-UHFFFAOYSA-N 0 0 216.236 2.392 50 0 BEAARN COC(=O)CSc1nccn1-c1ccccc1 ZINC000004003111 173618301 /nfs/dbraw/zinc/61/83/01/173618301.db2.gz NJEGNRYVXORUGZ-UHFFFAOYSA-N 0 0 248.307 2.137 50 0 BEAARN COC(=O)Cc1ccc(F)cc1Cl ZINC000000155769 173641249 /nfs/dbraw/zinc/64/12/49/173641249.db2.gz DFTYYBRLWCAUHP-UHFFFAOYSA-N 0 0 202.612 2.195 50 0 BEAARN COC(=O)Cc1ccc(Br)cc1 ZINC000001765842 173641987 /nfs/dbraw/zinc/64/19/87/173641987.db2.gz QHJOWSXZDCTNQX-UHFFFAOYSA-N 0 0 229.073 2.165 50 0 in-vitro BEAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1N ZINC000008378116 173839861 /nfs/dbraw/zinc/83/98/61/173839861.db2.gz JXHYLGFLCQKTHF-UHFFFAOYSA-N 0 0 224.647 2.190 50 0 BEAARN COC(=O)c1c(Br)cccc1OC ZINC000047202235 173841512 /nfs/dbraw/zinc/84/15/12/173841512.db2.gz LPZDOTAGNAUWRS-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN COC(=O)c1c(Cl)cnc(Cl)c1OC ZINC000066054417 173842972 /nfs/dbraw/zinc/84/29/72/173842972.db2.gz MDWVIMXSSFZVFH-UHFFFAOYSA-N 0 0 236.054 2.184 50 0 BEAARN COC(=O)c1c(C)oc2ccc(OC(C)=O)cc21 ZINC000000407922 173843299 /nfs/dbraw/zinc/84/32/99/173843299.db2.gz BMIWFWKYKIOEIH-UHFFFAOYSA-N 0 0 248.234 2.453 50 0 BEAARN COC(=O)c1c2ccccc2nc(C)c1OC ZINC000095093169 173845237 /nfs/dbraw/zinc/84/52/37/173845237.db2.gz DKHMKLNHPTZUGJ-UHFFFAOYSA-N 0 0 231.251 2.338 50 0 BEAARN COC(=O)c1cc(Cl)c(F)cc1F ZINC000089064478 173856815 /nfs/dbraw/zinc/85/68/15/173856815.db2.gz XYMSJOLPHIRLNX-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN COC(=O)c1cc(NC(C)=O)ccc1Cl ZINC000000463856 173860455 /nfs/dbraw/zinc/86/04/55/173860455.db2.gz XFCIXXYUEIAKPI-UHFFFAOYSA-N 0 0 227.647 2.085 50 0 BEAARN COC(=O)c1cc2c(ccc(F)c2F)[nH]1 ZINC000082522874 173863788 /nfs/dbraw/zinc/86/37/88/173863788.db2.gz YACLOQHUFCEVJA-UHFFFAOYSA-N 0 0 211.167 2.233 50 0 BEAARN COC(=O)c1ccc(F)cc1Br ZINC000004362889 173882112 /nfs/dbraw/zinc/88/21/12/173882112.db2.gz JENBPOJAZCPSEW-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN COC(=O)c1ccccc1OC(F)F ZINC000002549447 173901380 /nfs/dbraw/zinc/90/13/80/173901380.db2.gz ZSXBJSURCXMIKK-UHFFFAOYSA-N 0 0 202.156 2.075 50 0 BEAARN COC(=O)c1nc(Cl)ccc1Cl ZINC000000139464 173915743 /nfs/dbraw/zinc/91/57/43/173915743.db2.gz HQTUEAOWLVWJLF-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN COC1CCN(C(=O)C2CCCCC2)CC1 ZINC000044892111 174024727 /nfs/dbraw/zinc/02/47/27/174024727.db2.gz ARZCONZDKLBPMD-UHFFFAOYSA-N 0 0 225.332 2.204 50 0 BEAARN COC1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000040477583 174026450 /nfs/dbraw/zinc/02/64/50/174026450.db2.gz DJLMXVCDEUGOGG-UHFFFAOYSA-N 0 0 239.340 2.308 50 0 BEAARN COCC(=O)N(C)Cc1c(F)cccc1Cl ZINC000040459515 174039336 /nfs/dbraw/zinc/03/93/36/174039336.db2.gz XAXVTNDUNYARMJ-UHFFFAOYSA-N 0 0 245.681 2.084 50 0 BEAARN COCC(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000330497924 174060977 /nfs/dbraw/zinc/06/09/77/174060977.db2.gz ZFOSWAMGJFPWHD-SNVBAGLBSA-N 0 0 239.319 2.075 50 0 BEAARN COCC(=O)Nc1ccccc1C(C)C ZINC000000458245 174061336 /nfs/dbraw/zinc/06/13/36/174061336.db2.gz QUJDSRXEZBTSNU-UHFFFAOYSA-N 0 0 207.273 2.395 50 0 BEAARN COCCCNC(=O)/C(C)=C/c1ccccc1 ZINC000004672083 174236435 /nfs/dbraw/zinc/23/64/35/174236435.db2.gz BPNXQDFXSDEFKS-VAWYXSNFSA-N 0 0 233.311 2.243 50 0 BEAARN COCCCNC(=O)Nc1ccc(F)cc1F ZINC000002852553 174242128 /nfs/dbraw/zinc/24/21/28/174242128.db2.gz WDELSMGUZMXJPD-UHFFFAOYSA-N 0 0 244.241 2.123 50 0 BEAARN COCCCNC(=O)N[C@H](C)c1ccccc1 ZINC000040477784 174242160 /nfs/dbraw/zinc/24/21/60/174242160.db2.gz HEBFVIVZPRFRAE-LLVKDONJSA-N 0 0 236.315 2.083 50 0 BEAARN COCCCNC(=O)Nc1ccc(Cl)cc1 ZINC000003136919 174242901 /nfs/dbraw/zinc/24/29/01/174242901.db2.gz PBYCYHOHJFOXJQ-UHFFFAOYSA-N 0 0 242.706 2.498 50 0 BEAARN COCCCNC(=O)c1c(C)[nH]c2ccccc21 ZINC000016249745 174244189 /nfs/dbraw/zinc/24/41/89/174244189.db2.gz ZZSAZXUBYPCZRL-UHFFFAOYSA-N 0 0 246.310 2.243 50 0 BEAARN COCCCNC(=O)c1cc(Cl)ccc1F ZINC000032768060 174245003 /nfs/dbraw/zinc/24/50/03/174245003.db2.gz MXJILOOOZJDBOO-UHFFFAOYSA-N 0 0 245.681 2.245 50 0 BEAARN COCCCNC(=O)c1cccc(Cl)c1 ZINC000002181344 174245531 /nfs/dbraw/zinc/24/55/31/174245531.db2.gz ICXJQZSBRSTNIV-UHFFFAOYSA-N 0 0 227.691 2.106 50 0 BEAARN COCCNC(=O)CCc1ccc(Cl)cc1 ZINC000028575608 174320697 /nfs/dbraw/zinc/32/06/97/174320697.db2.gz YDKUQGOWHIJJJM-UHFFFAOYSA-N 0 0 241.718 2.035 50 0 BEAARN COCCNC(=O)Nc1ccc(F)cc1Cl ZINC000040525868 174325474 /nfs/dbraw/zinc/32/54/74/174325474.db2.gz UHQFVIMSDFQJIZ-UHFFFAOYSA-N 0 0 246.669 2.247 50 0 BEAARN COCCNC(=O)Nc1cc(Cl)ccc1C ZINC000002170951 174325976 /nfs/dbraw/zinc/32/59/76/174325976.db2.gz MENKNPUISPMMBD-UHFFFAOYSA-N 0 0 242.706 2.416 50 0 BEAARN COCCNC(=O)c1ccc2ccccc2c1 ZINC000002824311 174329073 /nfs/dbraw/zinc/32/90/73/174329073.db2.gz CMAIWMRZGOWSPV-UHFFFAOYSA-N 0 0 229.279 2.216 50 0 BEAARN COCCNc1nc(-c2ccc[nH]2)cs1 ZINC000003351203 174341551 /nfs/dbraw/zinc/34/15/51/174341551.db2.gz AQLBOZXNEROQFX-UHFFFAOYSA-N 0 0 223.301 2.197 50 0 BEAARN COCCNc1nc(Cl)nc2ccccc21 ZINC000011756103 174342115 /nfs/dbraw/zinc/34/21/15/174342115.db2.gz IYZIZOKBENMXLG-UHFFFAOYSA-N 0 0 237.690 2.342 50 0 BEAARN COCCOc1cc(O)cc(Cl)c1 ZINC000238361086 174367734 /nfs/dbraw/zinc/36/77/34/174367734.db2.gz QTMLCFMADWCIJF-UHFFFAOYSA-N 0 0 202.637 2.071 50 0 BEAARN COCCOc1cccc(Br)c1 ZINC000019423542 174369547 /nfs/dbraw/zinc/36/95/47/174369547.db2.gz CFUFZUWSBHTKRQ-UHFFFAOYSA-N 0 0 231.089 2.474 50 0 BEAARN COCCSc1nncn1-c1ccccc1C ZINC000057864428 174377288 /nfs/dbraw/zinc/37/72/88/174377288.db2.gz HWQZPMDRPILUBK-UHFFFAOYSA-N 0 0 249.339 2.314 50 0 BEAARN COCC[C@H](C)Nc1c[nH]nc1-c1ccccn1 ZINC000187505157 174408747 /nfs/dbraw/zinc/40/87/47/174408747.db2.gz AQZMWLNNNQLZAK-JTQLQIEISA-N 0 0 246.314 2.309 50 0 BEAARN COC[C@@H]1CCN(C(=O)Nc2ccccc2C)C1 ZINC000265878791 174505478 /nfs/dbraw/zinc/50/54/78/174505478.db2.gz PFKKLOKDIVJUQG-GFCCVEGCSA-N 0 0 248.326 2.495 50 0 BEAARN COC[C@H](C)NC(=O)Nc1cccc(C)c1 ZINC000012850933 174544990 /nfs/dbraw/zinc/54/49/90/174544990.db2.gz YNYNVDCUXOKBEY-JTQLQIEISA-N 0 0 222.288 2.151 50 0 BEAARN COCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000012537207 174620583 /nfs/dbraw/zinc/62/05/83/174620583.db2.gz MZYBLVZKYPKRTF-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN COCc1ccccc1CNC(=O)CC(C)C ZINC000036394009 174634554 /nfs/dbraw/zinc/63/45/54/174634554.db2.gz WMJRECBWJCCCIP-UHFFFAOYSA-N 0 0 235.327 2.495 50 0 BEAARN CON(C)C(=O)Nc1ccc(SC)cc1 ZINC000000401895 174657032 /nfs/dbraw/zinc/65/70/32/174657032.db2.gz JJSNPNHYJCMBBY-UHFFFAOYSA-N 0 0 226.301 2.434 50 0 BEAARN CON(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000032779848 174658223 /nfs/dbraw/zinc/65/82/23/174658223.db2.gz XCXLVWOZDFYWFA-UHFFFAOYSA-N 0 0 238.674 2.455 50 0 BEAARN CON(C)C(=O)c1csc2c1CCCC2 ZINC000040460775 174659052 /nfs/dbraw/zinc/65/90/52/174659052.db2.gz UGZSYHICIABAND-UHFFFAOYSA-N 0 0 225.313 2.260 50 0 BEAARN CO[C@H]1C(C)=C(C)C(=O)N1CCc1ccccc1 ZINC000009731021 174873231 /nfs/dbraw/zinc/87/32/31/174873231.db2.gz JIAAFQJZASGXKZ-HNNXBMFYSA-N 0 0 245.322 2.380 50 0 BEAARN CO[C@H]1CCCC[C@@H]1NC(=O)SC ZINC000000389946 174874023 /nfs/dbraw/zinc/87/40/23/174874023.db2.gz IOTMQUJRLGPJRI-YUMQZZPRSA-N 0 0 203.307 2.017 50 0 BEAARN COc1c(Cl)cccc1NC(=O)N(C)C ZINC000000396779 174929840 /nfs/dbraw/zinc/92/98/40/174929840.db2.gz AQGOJNZWYHECAN-UHFFFAOYSA-N 0 0 228.679 2.442 50 0 BEAARN COc1cc(C=O)c(Br)cc1F ZINC000059863070 174975974 /nfs/dbraw/zinc/97/59/74/174975974.db2.gz OQDUONHFGRRMGY-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN COc1cc(C=O)ccc1OC[C@@H]1CCCO1 ZINC000009189804 174977020 /nfs/dbraw/zinc/97/70/20/174977020.db2.gz KDHACBMWVXSAHP-NSHDSACASA-N 0 0 236.267 2.066 50 0 BEAARN COc1cc(C=O)ccc1OC(=O)c1ccco1 ZINC000000086068 174977048 /nfs/dbraw/zinc/97/70/48/174977048.db2.gz KSOOHBRTOATAMA-UHFFFAOYSA-N 0 0 246.218 2.320 50 0 BEAARN COc1cc(CNC(=O)CC(C)(C)C)ccn1 ZINC000024987054 174982438 /nfs/dbraw/zinc/98/24/38/174982438.db2.gz KWCJDXYGEQAMHB-UHFFFAOYSA-N 0 0 236.315 2.143 50 0 BEAARN COc1cc(OC)c(Br)cc1N ZINC000036181635 175006285 /nfs/dbraw/zinc/00/62/85/175006285.db2.gz MNCWCTCUSSOSKJ-UHFFFAOYSA-N 0 0 232.077 2.049 50 0 BEAARN COc1cc(OC)c(Cl)c(OC)c1 ZINC000000410171 175007060 /nfs/dbraw/zinc/00/70/60/175007060.db2.gz RLLPSYLJYVMSBI-UHFFFAOYSA-N 0 0 202.637 2.366 50 0 BEAARN COc1cc(OC)cc(C(=O)NC2CCCC2)c1 ZINC000003093843 175010071 /nfs/dbraw/zinc/01/00/71/175010071.db2.gz RUZYHDWVXNPRPA-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN COc1cc(OC)cc(N(C)C(=O)CC2CC2)c1 ZINC000225527131 175010442 /nfs/dbraw/zinc/01/04/42/175010442.db2.gz WDEKPUCBMZXDGH-UHFFFAOYSA-N 0 0 249.310 2.467 50 0 BEAARN COc1cc2ccn3c(C)nnc3c2cc1OC ZINC000000114076 175027616 /nfs/dbraw/zinc/02/76/16/175027616.db2.gz FVSUDTLZWVZJBF-UHFFFAOYSA-N 0 0 243.266 2.208 50 0 BEAARN COc1ccc(-c2c[nH]c(=S)nc2N)cc1 ZINC000018099051 175029564 /nfs/dbraw/zinc/02/95/64/175029564.db2.gz JAXAGPGSZWFXPW-UHFFFAOYSA-N 0 0 233.296 2.397 50 0 BEAARN COc1ccc(-c2cc(=S)[nH]cn2)cc1 ZINC000061966097 175032132 /nfs/dbraw/zinc/03/21/32/175032132.db2.gz JFQZQWQTXUGFDY-UHFFFAOYSA-N 0 0 218.281 2.441 50 0 BEAARN COc1ccc(-c2ncnc3[nH]ccc32)cn1 ZINC000067884166 175041765 /nfs/dbraw/zinc/04/17/65/175041765.db2.gz XGLYTYWBCKFQSR-UHFFFAOYSA-N 0 0 226.239 2.029 50 0 BEAARN COc1ccc(-n2cccn2)c(-c2ncc[nH]2)c1 ZINC000067879810 175043778 /nfs/dbraw/zinc/04/37/78/175043778.db2.gz DGYPAOYJAXYVFZ-UHFFFAOYSA-N 0 0 240.266 2.271 50 0 BEAARN COc1ccc(/C=C/C(=O)n2cccn2)cc1 ZINC000004901841 175047258 /nfs/dbraw/zinc/04/72/58/175047258.db2.gz OMBMXJJLTXUBFL-VMPITWQZSA-N 0 0 228.251 2.245 50 0 BEAARN COc1ccc(/C=C/[N+](=O)[O-])c(Cl)c1O ZINC000025725529 175047954 /nfs/dbraw/zinc/04/79/54/175047954.db2.gz QZEDAZIMUBBLPG-SNAWJCMRSA-N 0 0 229.619 2.302 50 0 BEAARN COc1ccc(Br)c(N)c1 ZINC000000294856 175050892 /nfs/dbraw/zinc/05/08/92/175050892.db2.gz PRQDMSJEMCRFMI-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN COc1ccc(C(=O)C(F)(F)F)cc1N ZINC000003163781 175052632 /nfs/dbraw/zinc/05/26/32/175052632.db2.gz FZLLSBIVUBXKTD-UHFFFAOYSA-N 0 0 219.162 2.022 50 0 BEAARN COc1ccc(C(=O)N2CCCC[C@H]2C)c(O)c1 ZINC000019837067 175056200 /nfs/dbraw/zinc/05/62/00/175056200.db2.gz OACHEMOEZZSLOW-SNVBAGLBSA-N 0 0 249.310 2.415 50 0 BEAARN COc1ccc(C(=O)NCc2ccco2)c(F)c1 ZINC000007124018 175061646 /nfs/dbraw/zinc/06/16/46/175061646.db2.gz WVDWYATXXUKDPC-UHFFFAOYSA-N 0 0 249.241 2.357 50 0 BEAARN COc1ccc(C(=O)Nc2ccnc(C)c2)cn1 ZINC000009367697 175063679 /nfs/dbraw/zinc/06/36/79/175063679.db2.gz BWVPKCFOICARHN-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccc(C(=O)Oc2cccnc2)cc1 ZINC000000858479 175065089 /nfs/dbraw/zinc/06/50/89/175065089.db2.gz SAWNYFZZFROOIO-UHFFFAOYSA-N 0 0 229.235 2.309 50 0 BEAARN COc1ccc(C)cc1-c1ccnc(N)n1 ZINC000052812015 175072600 /nfs/dbraw/zinc/07/26/00/175072600.db2.gz NISBXKSPRPUXCU-UHFFFAOYSA-N 0 0 215.256 2.043 50 0 BEAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCO1 ZINC000001466454 175077730 /nfs/dbraw/zinc/07/77/30/175077730.db2.gz MFKOLTMRWOPOMZ-LBPRGKRZSA-N 0 0 235.283 2.121 50 0 BEAARN COc1ccc(C)cc1N[C@H](C)C(=O)NC1CC1 ZINC000006300020 175078390 /nfs/dbraw/zinc/07/83/90/175078390.db2.gz XXRKBVUQLKFBIJ-SNVBAGLBSA-N 0 0 248.326 2.083 50 0 BEAARN COc1ccc(CC(=O)NC(C)(C)C)cc1C ZINC000072117247 175086929 /nfs/dbraw/zinc/08/69/29/175086929.db2.gz YVRUDCFFELOSJS-UHFFFAOYSA-N 0 0 235.327 2.461 50 0 BEAARN COc1ccc(CCc2cc(N)on2)cc1 ZINC000034939714 175093684 /nfs/dbraw/zinc/09/36/84/175093684.db2.gz QSHMBQYBPNPMIC-UHFFFAOYSA-N 0 0 218.256 2.051 50 0 BEAARN COc1ccc(CNC(=O)C2CCCCC2)cn1 ZINC000010990462 175103791 /nfs/dbraw/zinc/10/37/91/175103791.db2.gz HEENIXDEXNJOFW-UHFFFAOYSA-N 0 0 248.326 2.287 50 0 BEAARN COc1ccc(CSCC(N)=O)cc1Cl ZINC000188686487 175114232 /nfs/dbraw/zinc/11/42/32/175114232.db2.gz WMYZSTJOVVZYAD-UHFFFAOYSA-N 0 0 245.731 2.067 50 0 BEAARN COc1ccc(F)c(NC(=O)N2CCCC2)c1 ZINC000088407077 175125512 /nfs/dbraw/zinc/12/55/12/175125512.db2.gz DMPYQRDTJMXWFF-UHFFFAOYSA-N 0 0 238.262 2.462 50 0 BEAARN COc1ccc(F)cc1-c1csc(=O)[nH]1 ZINC000041245428 175127456 /nfs/dbraw/zinc/12/74/56/175127456.db2.gz FOYWWTAHEDNXDI-UHFFFAOYSA-N 0 0 225.244 2.251 50 0 BEAARN COc1ccc(N)c(Br)c1 ZINC000035359687 175137210 /nfs/dbraw/zinc/13/72/10/175137210.db2.gz YBAGMTVKDRIMTB-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN COc1ccc(NC(=O)CCC(C)C)cn1 ZINC000027332090 175141169 /nfs/dbraw/zinc/14/11/69/175141169.db2.gz DAMVGBCEPBDKHP-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN COc1ccc(NC(=O)CC(C)C)cn1 ZINC000008018632 175141317 /nfs/dbraw/zinc/14/13/17/175141317.db2.gz VBNXUHADOSLHBY-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN COc1ccc(NC(=O)Cc2cccs2)cn1 ZINC000006252578 175143051 /nfs/dbraw/zinc/14/30/51/175143051.db2.gz STNUJPZCWWCFCJ-UHFFFAOYSA-N 0 0 248.307 2.333 50 0 BEAARN COc1ccc(NC(=O)c2ccc(C)nc2)cn1 ZINC000044895762 175147176 /nfs/dbraw/zinc/14/71/76/175147176.db2.gz WFLNVWZXBFJNKN-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccc(NC(=O)c2ccccc2F)cn1 ZINC000005199231 175147542 /nfs/dbraw/zinc/14/75/42/175147542.db2.gz ZCVDDOSAVVHFHN-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(NC(=S)N2CCCC2)cc1 ZINC000002910685 175148983 /nfs/dbraw/zinc/14/89/83/175148983.db2.gz NMZWVFMGMBYLFE-UHFFFAOYSA-N 0 0 236.340 2.488 50 0 BEAARN COc1ccc(N[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000012435113 175153773 /nfs/dbraw/zinc/15/37/73/175153773.db2.gz LCLVAZYEBYCGRB-CYBMUJFWSA-N 0 0 248.326 2.118 50 0 BEAARN COc1ccc(N[C@H]2CCCN(C(C)=O)C2)cc1 ZINC000012435115 175155814 /nfs/dbraw/zinc/15/58/14/175155814.db2.gz LCLVAZYEBYCGRB-ZDUSSCGKSA-N 0 0 248.326 2.118 50 0 BEAARN COc1ccc(OC(F)(F)F)cc1N ZINC000038529721 175162466 /nfs/dbraw/zinc/16/24/66/175162466.db2.gz MKAPTOAKEPIGOA-UHFFFAOYSA-N 0 0 207.151 2.176 50 0 BEAARN COc1ccc(OC)c(-c2cncc(N)c2)c1 ZINC000065409421 175163913 /nfs/dbraw/zinc/16/39/13/175163913.db2.gz OVFSEXDIZKFRNX-UHFFFAOYSA-N 0 0 230.267 2.348 50 0 BEAARN COc1ccc(Oc2ncccc2N)cc1 ZINC000000083886 175173873 /nfs/dbraw/zinc/17/38/73/175173873.db2.gz YCHHURQEIGRWHU-UHFFFAOYSA-N 0 0 216.240 2.465 50 0 BEAARN COc1ccc([C@@H](O)[C@@H](C)n2cccn2)cc1 ZINC000044182796 175181433 /nfs/dbraw/zinc/18/14/33/175181433.db2.gz GDISAVSZXXPIDU-MFKMUULPSA-N 0 0 232.283 2.186 50 0 BEAARN COc1ccc([C@H](N)C(F)(F)F)cc1 ZINC000019481841 175190692 /nfs/dbraw/zinc/19/06/92/175190692.db2.gz WXWSEEIYIQOYNZ-QMMMGPOBSA-N 0 0 205.179 2.257 50 0 BEAARN COc1ccc([C@H]2N[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000095644402 175199334 /nfs/dbraw/zinc/19/93/34/175199334.db2.gz XNTGFDXDTMAHJN-VXGBXAGGSA-N 0 0 249.310 2.050 50 0 BEAARN COc1ccc2[nH]c3c(c2c1)CCc1nonc1-3 ZINC000000102103 175202119 /nfs/dbraw/zinc/20/21/19/175202119.db2.gz CXVRVZONYSTAJS-UHFFFAOYSA-N 0 0 241.250 2.325 50 0 BEAARN COc1ccc2[nH]cc(CN3CCOCC3)c2c1 ZINC000261506961 175203134 /nfs/dbraw/zinc/20/31/34/175203134.db2.gz CZCDOVTVSPIKJT-UHFFFAOYSA-N 0 0 246.310 2.009 50 0 BEAARN COc1ccc2c(C)c(C=O)n(C)c2c1 ZINC000082592551 175203972 /nfs/dbraw/zinc/20/39/72/175203972.db2.gz WUZLPXCKWSVFKL-UHFFFAOYSA-N 0 0 203.241 2.308 50 0 BEAARN COc1ccc2c(c1)[nH]nc2NC(=O)C1CCC1 ZINC000194827852 175205604 /nfs/dbraw/zinc/20/56/04/175205604.db2.gz IGVDPQNHZSQDOI-UHFFFAOYSA-N 0 0 245.282 2.310 50 0 BEAARN COc1ccc2c(c1)C(C)(C)C(=O)CC2 ZINC000039369363 175206573 /nfs/dbraw/zinc/20/65/73/175206573.db2.gz XKNWKUDWLZEPBU-UHFFFAOYSA-N 0 0 204.269 2.488 50 0 BEAARN COc1ccc2c(c1)[C@H](O)C[C@@H](C(F)F)O2 ZINC000043464921 175216995 /nfs/dbraw/zinc/21/69/95/175216995.db2.gz ARCRCIFIKXIOMZ-SCZZXKLOSA-N 0 0 230.210 2.145 50 0 BEAARN COc1ccc2cc(C=O)c(OC)nc2c1 ZINC000004243131 175224839 /nfs/dbraw/zinc/22/48/39/175224839.db2.gz PQECIFGEZCZGSO-UHFFFAOYSA-N 0 0 217.224 2.065 50 0 BEAARN COc1cccc(-c2cccc(N)n2)c1F ZINC000032516123 175235176 /nfs/dbraw/zinc/23/51/76/175235176.db2.gz MZFYBHAVWYFSFB-UHFFFAOYSA-N 0 0 218.231 2.479 50 0 BEAARN COc1cccc(-c2nc(CO)cs2)c1 ZINC000012900904 175236334 /nfs/dbraw/zinc/23/63/34/175236334.db2.gz CFGRVZSVVDYQPW-UHFFFAOYSA-N 0 0 221.281 2.311 50 0 BEAARN COc1cccc(-c2nnc3n2C[C@@H](C)S3)c1 ZINC000000105189 175237613 /nfs/dbraw/zinc/23/76/13/175237613.db2.gz YVYDUGDAGWPUGC-MRVPVSSYSA-N 0 0 247.323 2.448 50 0 BEAARN COc1cccc(-c2nnc(SC)o2)c1 ZINC000007939606 175237766 /nfs/dbraw/zinc/23/77/66/175237766.db2.gz KCOXLDLTKGFYGH-UHFFFAOYSA-N 0 0 222.269 2.467 50 0 BEAARN COc1cccc(-c2noc(NC3CC3)n2)c1 ZINC000021922455 175238584 /nfs/dbraw/zinc/23/85/84/175238584.db2.gz BXZMRYCYNQACON-UHFFFAOYSA-N 0 0 231.255 2.320 50 0 BEAARN COc1cccc(C(=O)N2CCCC2)c1F ZINC000090065681 175243434 /nfs/dbraw/zinc/24/34/34/175243434.db2.gz WLEGHLIBUNVWHS-UHFFFAOYSA-N 0 0 223.247 2.070 50 0 BEAARN COc1cccc(C(=O)NC2CCCC2)c1 ZINC000000326706 175244712 /nfs/dbraw/zinc/24/47/12/175244712.db2.gz HJXIKXNJWFMYEV-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN COc1cccc(C(=O)OCC[C@@H](C)OC)c1 ZINC000078949273 175246157 /nfs/dbraw/zinc/24/61/57/175246157.db2.gz JYPFYKHRPUWNGU-SNVBAGLBSA-N 0 0 238.283 2.277 50 0 BEAARN COc1cccc(C(=O)c2ccccc2)n1 ZINC000045028712 175247626 /nfs/dbraw/zinc/24/76/26/175247626.db2.gz YXSONXKRSOCOKX-UHFFFAOYSA-N 0 0 213.236 2.321 50 0 BEAARN COc1cccc(C=O)c1OCC(F)F ZINC000037756026 175249198 /nfs/dbraw/zinc/24/91/98/175249198.db2.gz YXDGOMZWDGICMQ-UHFFFAOYSA-N 0 0 216.183 2.152 50 0 BEAARN COc1cccc(CCC(=O)N2CCCC2)c1 ZINC000040476581 175250490 /nfs/dbraw/zinc/25/04/90/175250490.db2.gz YOYOAZLPAPIFBF-UHFFFAOYSA-N 0 0 233.311 2.250 50 0 BEAARN COc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000023114853 175260187 /nfs/dbraw/zinc/26/01/87/175260187.db2.gz DYDNSWAKWDMNFF-VXGBXAGGSA-N 0 0 235.327 2.304 50 0 BEAARN COc1cccc(CNC(=O)NC2CCCC2)c1 ZINC000030987946 175262187 /nfs/dbraw/zinc/26/21/87/175262187.db2.gz UNVBSRATXQCZEO-UHFFFAOYSA-N 0 0 248.326 2.437 50 0 BEAARN COc1cccc(NC(=O)c2snnc2C)c1 ZINC000000385510 175277851 /nfs/dbraw/zinc/27/78/51/175277851.db2.gz IUDXCGCXMMLLPW-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1cccc2c1CCC[C@H]2N1CCOCC1 ZINC000034078641 175300670 /nfs/dbraw/zinc/30/06/70/175300670.db2.gz JYZCXEMAVAIEHP-CQSZACIVSA-N 0 0 247.338 2.405 50 0 BEAARN COc1cccc2cc(-c3nnc(N)o3)oc21 ZINC000026423847 175306340 /nfs/dbraw/zinc/30/63/40/175306340.db2.gz FOPCPNUYUBOTIL-UHFFFAOYSA-N 0 0 231.211 2.074 50 0 BEAARN COc1cccc2ccn(CC(=O)NC(C)C)c21 ZINC000032124264 175307591 /nfs/dbraw/zinc/30/75/91/175307591.db2.gz ZJBMWGPYKIRZEA-UHFFFAOYSA-N 0 0 246.310 2.175 50 0 biogenic BEAARN COc1ccccc1-c1cnnc(=S)[nH]1 ZINC000006492147 175310003 /nfs/dbraw/zinc/31/00/03/175310003.db2.gz APSKKVOUINJWGP-UHFFFAOYSA-N 0 0 219.269 2.210 50 0 BEAARN COc1ccccc1-c1nnc(SC)o1 ZINC000000035518 175312036 /nfs/dbraw/zinc/31/20/36/175312036.db2.gz WHDVKHDSAPFFEN-UHFFFAOYSA-N 0 0 222.269 2.467 50 0 BEAARN COc1ccccc1C(=O)Nc1ccncc1 ZINC000000327306 175319149 /nfs/dbraw/zinc/31/91/49/175319149.db2.gz JOHGASNAHWBVBS-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccccc1CC(=O)N1CCC[C@@H](C)C1 ZINC000000121853 175320973 /nfs/dbraw/zinc/32/09/73/175320973.db2.gz GGZYKOKSGPDALA-GFCCVEGCSA-N 0 0 247.338 2.496 50 0 BEAARN COc1ccccc1CC(=O)NCCC(C)C ZINC000005632828 175321888 /nfs/dbraw/zinc/32/18/88/175321888.db2.gz FEFFUSNTSZFBAV-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN COc1ccccc1C[C@@H](C)Nc1ccnn1C ZINC000097037937 175332395 /nfs/dbraw/zinc/33/23/95/175332395.db2.gz PLROFRANBQNGOG-LLVKDONJSA-N 0 0 245.326 2.472 50 0 BEAARN COc1ccccc1NC(=O)c1cccnc1 ZINC000000284969 175336607 /nfs/dbraw/zinc/33/66/07/175336607.db2.gz JTYKITZXNYVOSY-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCO1 ZINC000049940467 175345113 /nfs/dbraw/zinc/34/51/13/175345113.db2.gz HSGMJJFPEWFTBR-ZWNOBZJWSA-N 0 0 249.310 2.051 50 0 BEAARN COc1ccccc1[C@@H](CC(N)=O)c1ccco1 ZINC000005911668 175346120 /nfs/dbraw/zinc/34/61/20/175346120.db2.gz OOVPPLWHQJVSSB-LLVKDONJSA-N 0 0 245.278 2.296 50 0 biogenic BEAARN COc1ccccc1[C@@H](O)C(F)(F)F ZINC000000282000 175347092 /nfs/dbraw/zinc/34/70/92/175347092.db2.gz KPPGXFAXHCGFCQ-MRVPVSSYSA-N 0 0 206.163 2.291 50 0 BEAARN COc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000012398684 175354623 /nfs/dbraw/zinc/35/46/23/175354623.db2.gz CGNFZRZOWHPQRO-GFCCVEGCSA-N 0 0 249.310 2.307 50 0 BEAARN COc1ccnc(-c2cccc(NC(C)=O)c2)n1 ZINC000032558368 175357040 /nfs/dbraw/zinc/35/70/40/175357040.db2.gz QEOCUDKUNZKHLS-UHFFFAOYSA-N 0 0 243.266 2.111 50 0 BEAARN COc1cccnc1NC(=O)c1occc1C ZINC000065493520 175357342 /nfs/dbraw/zinc/35/73/42/175357342.db2.gz HCOQXUJTRNMEFB-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1cnc(-c2ccccn2)nc1OC(C)C ZINC000001385890 175380460 /nfs/dbraw/zinc/38/04/60/175380460.db2.gz GOJKHAVJPNQYEM-UHFFFAOYSA-N 0 0 245.282 2.334 50 0 BEAARN COc1cnc(-c2ccccn2)nc1NC(C)C ZINC000001381758 175380767 /nfs/dbraw/zinc/38/07/67/175380767.db2.gz VGIYTWUCLMICKF-UHFFFAOYSA-N 0 0 244.298 2.368 50 0 BEAARN COc1cncc(-n2cnc3ccccc32)c1 ZINC000065492034 175382528 /nfs/dbraw/zinc/38/25/28/175382528.db2.gz WSCFSCBKMPYOFV-UHFFFAOYSA-N 0 0 225.251 2.429 50 0 BEAARN COc1n[nH]c2ccc(Br)cc21 ZINC000077032017 175388635 /nfs/dbraw/zinc/38/86/35/175388635.db2.gz ABWHVHBGFZUYAA-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1ncccc1NC(=O)c1ccc(C)nc1 ZINC000047553719 175410316 /nfs/dbraw/zinc/41/03/16/175410316.db2.gz CQMNPEONDRKOGJ-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COn1c2c(nc1-c1ccccc1)C(=O)CCC2 ZINC000001294483 175418605 /nfs/dbraw/zinc/41/86/05/175418605.db2.gz PBOGRXPGURONCR-UHFFFAOYSA-N 0 0 242.278 2.128 50 0 BEAARN CSCC[C@@H]([NH2+]Cc1cccs1)C(=O)[O-] ZINC000037966687 175504066 /nfs/dbraw/zinc/50/40/66/175504066.db2.gz WRFOEJLGMPNNMX-SECBINFHSA-N 0 0 245.369 2.044 50 0 BEAARN CSC[C@@H](C)C(=O)Nc1c(O)cccc1F ZINC000096436578 175511604 /nfs/dbraw/zinc/51/16/04/175511604.db2.gz TWJNYKKFVUJFQH-SSDOTTSWSA-N 0 0 243.303 2.469 50 0 BEAARN CSc1nc(Cl)c(C=O)c(Cl)n1 ZINC000003124146 175588309 /nfs/dbraw/zinc/58/83/09/175588309.db2.gz MRHGOAKYYORQGQ-UHFFFAOYSA-N 0 0 223.084 2.318 50 0 in-vitro BEAARN CSc1ncc(C(=O)Nc2ccccc2)cn1 ZINC000002879201 175589967 /nfs/dbraw/zinc/58/99/67/175589967.db2.gz HRVHCZHGJIJBBO-UHFFFAOYSA-N 0 0 245.307 2.451 50 0 BEAARN CSc1nc2ncnc(Cl)c2s1 ZINC000032629476 175590205 /nfs/dbraw/zinc/59/02/05/175590205.db2.gz QWLDSUKDTJSCCY-UHFFFAOYSA-N 0 0 217.706 2.462 50 0 BEAARN C[C@@H](NC(=O)NCC1CC1)c1ccccc1 ZINC000057536048 175837727 /nfs/dbraw/zinc/83/77/27/175837727.db2.gz LCENRITYTJNFJP-SNVBAGLBSA-N 0 0 218.300 2.457 50 0 BEAARN C[C@@H](NC(=O)[C@H]1CCCO1)c1cccs1 ZINC000043545234 175846509 /nfs/dbraw/zinc/84/65/09/175846509.db2.gz OUGFYXRJLGNINV-RKDXNWHRSA-N 0 0 225.313 2.104 50 0 BEAARN C[C@@H](O)c1nc2ccccc2n1C(F)F ZINC000003407882 176001134 /nfs/dbraw/zinc/00/11/34/176001134.db2.gz UOOOFUIKYLLQLE-ZCFIWIBFSA-N 0 0 212.199 2.485 50 0 BEAARN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)C ZINC000072750055 176003702 /nfs/dbraw/zinc/00/37/02/176003702.db2.gz ROGQFNHUABXLTC-SSDOTTSWSA-N 0 0 245.681 2.335 50 0 BEAARN C[C@@H](Oc1cccc(OC2CCCC2)c1)C(N)=O ZINC000097114995 176004649 /nfs/dbraw/zinc/00/46/49/176004649.db2.gz HNTYFNKXOIQJSB-SNVBAGLBSA-N 0 0 249.310 2.261 50 0 BEAARN C[C@@H](SCCOC(C)(C)C)C(=O)NC1CC1 ZINC000069737169 176007774 /nfs/dbraw/zinc/00/77/74/176007774.db2.gz JDALORFLPKYNTB-SECBINFHSA-N 0 0 245.388 2.202 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccncc1 ZINC000000030671 176005558 /nfs/dbraw/zinc/00/55/58/176005558.db2.gz UABOLCGPVMFSLX-LLVKDONJSA-N 0 0 242.278 2.488 50 0 BEAARN C[C@@H](S[C@H](C)c1cnccn1)c1nncn1C ZINC000289436975 176009058 /nfs/dbraw/zinc/00/90/58/176009058.db2.gz RTJBYQAAVXPUQB-RKDXNWHRSA-N 0 0 249.343 2.161 50 0 BEAARN C[C@@H](SC[C@H](O)CO)c1ccccc1Cl ZINC000095407560 176009223 /nfs/dbraw/zinc/00/92/23/176009223.db2.gz CBFZXGWCUUALQN-RKDXNWHRSA-N 0 0 246.759 2.487 50 0 BEAARN C[C@@H](Sc1ccccc1)C(=O)N(C)C ZINC000031850894 176009403 /nfs/dbraw/zinc/00/94/03/176009403.db2.gz HHHLTBLIHKCVSI-SECBINFHSA-N 0 0 209.314 2.255 50 0 BEAARN C[C@@H](c1csnn1)N1CCC[C@@](C)(F)C1 ZINC000336267606 176036704 /nfs/dbraw/zinc/03/67/04/176036704.db2.gz ZOCPQIKWHWKRMC-WCBMZHEXSA-N 0 0 229.324 2.423 50 0 BEAARN C[C@H]1C(=O)N(CCC(C)(C)C)C(=O)[C@H]1C ZINC000195572894 176043836 /nfs/dbraw/zinc/04/38/36/176043836.db2.gz MHPSOYMHARAAOD-DTORHVGOSA-N 0 0 211.305 2.064 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=S)NC1CC1 ZINC000006330460 176080580 /nfs/dbraw/zinc/08/05/80/176080580.db2.gz ANMZJIXUPYVJMT-SCZZXKLOSA-N 0 0 212.362 2.192 50 0 BEAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)C1CC1 ZINC000040108279 176089977 /nfs/dbraw/zinc/08/99/77/176089977.db2.gz IRCUBLHLRPNCNJ-ZYHUDNBSSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000032667681 176095774 /nfs/dbraw/zinc/09/57/74/176095774.db2.gz ABMPOFILZJFHLU-LLVKDONJSA-N 0 0 243.310 2.206 50 0 BEAARN C[C@@H]1CCCN(Cc2nnsc2Cl)C1 ZINC000035164776 176103665 /nfs/dbraw/zinc/10/36/65/176103665.db2.gz RVVQQMHOCJZWQS-SSDOTTSWSA-N 0 0 231.752 2.423 50 0 BEAARN C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCCO1 ZINC000096501721 176115802 /nfs/dbraw/zinc/11/58/02/176115802.db2.gz LCHNEYMYERFGRS-NXEZZACHSA-N 0 0 212.293 2.007 50 0 BEAARN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc[nH]c2=O)C1 ZINC000040499065 176120442 /nfs/dbraw/zinc/12/04/42/176120442.db2.gz GSOWPRNKBVCIAJ-GHMZBOCLSA-N 0 0 248.326 2.026 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)n2ccnc2)[C@@H]1C ZINC000032628628 176122828 /nfs/dbraw/zinc/12/28/28/176122828.db2.gz SYZSJULANIBEEQ-GMTAPVOTSA-N 0 0 221.304 2.266 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)Nc2nncs2)C1 ZINC000043127798 176142710 /nfs/dbraw/zinc/14/27/10/176142710.db2.gz BMKWCXUXPXKODD-SFYZADRCSA-N 0 0 240.332 2.238 50 0 BEAARN C[C@@H]1CC[C@@H](COC(=O)c2ccoc2)O1 ZINC000095446124 176206244 /nfs/dbraw/zinc/20/62/44/176206244.db2.gz FBKKYUZIFOVWBS-SCZZXKLOSA-N 0 0 210.229 2.004 50 0 BEAARN C[C@@H]1CCc2c(sc3ncnc(N)c23)C1 ZINC000000129173 176239191 /nfs/dbraw/zinc/23/91/91/176239191.db2.gz OHTRNARYCIBLLU-ZCFIWIBFSA-N 0 0 219.313 2.398 50 0 BEAARN C[C@@H]1CN(C(=O)C2CC=CC2)CCC1(F)F ZINC000290755609 176243511 /nfs/dbraw/zinc/24/35/11/176243511.db2.gz ATLFPAAHGJGMRM-SECBINFHSA-N 0 0 229.270 2.456 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2ccccc2F)CCO1 ZINC000012851164 176253111 /nfs/dbraw/zinc/25/31/11/176253111.db2.gz UHLIDIIRCUWQLW-SECBINFHSA-N 0 0 238.262 2.078 50 0 BEAARN C[C@@H]1CN(Cc2cccc(F)c2)C[C@@H](C)O1 ZINC000019607198 176306539 /nfs/dbraw/zinc/30/65/39/176306539.db2.gz PJHKUPBBKSQXMK-GHMZBOCLSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@@H]1CN(Cc2ccccc2F)C[C@@H](C)O1 ZINC000019606648 176306856 /nfs/dbraw/zinc/30/68/56/176306856.db2.gz JLWKCIQQXMVLCP-GHMZBOCLSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@@H]1COCC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000170619051 176344924 /nfs/dbraw/zinc/34/49/24/176344924.db2.gz IOXLPTLEGXNZET-BXKDBHETSA-N 0 0 231.299 2.400 50 0 BEAARN C[C@@H]1COC[C@@H](C)N1C(=O)Nc1ccccc1 ZINC000040634698 176345528 /nfs/dbraw/zinc/34/55/28/176345528.db2.gz YHUZAHVPIQCQGA-GHMZBOCLSA-N 0 0 234.299 2.328 50 0 BEAARN C[C@@H]1COC[C@@H](C)N1C(=O)CCc1ccccc1 ZINC000040634622 176346062 /nfs/dbraw/zinc/34/60/62/176346062.db2.gz JSZLFDZPTSCBCB-CHWSQXEVSA-N 0 0 247.338 2.255 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccco2)C1 ZINC000000029995 176360638 /nfs/dbraw/zinc/36/06/38/176360638.db2.gz BAIZGXIYKGQGAN-NXEZZACHSA-N 0 0 207.273 2.398 50 0 BEAARN C[C@@H]1C[C@@H](Nc2ncccc2F)CCO1 ZINC000220114921 176379933 /nfs/dbraw/zinc/37/99/33/176379933.db2.gz NRWMCLFLTUTRAO-BDAKNGLRSA-N 0 0 210.252 2.200 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@H](c1nccs1)C1CC1 ZINC000230088934 176387233 /nfs/dbraw/zinc/38/72/33/176387233.db2.gz CDPJTLQMFOROOW-JEZHCXPESA-N 0 0 236.340 2.366 50 0 BEAARN C[C@@H]1C[C@@H]1COC(=O)c1ccnc(F)c1 ZINC000071803624 176398664 /nfs/dbraw/zinc/39/86/64/176398664.db2.gz OQXFFLQCCBMQSL-VXNVDRBHSA-N 0 0 209.220 2.034 50 0 BEAARN C[C@@]1(C2CC2)NC(=S)N(c2ccccc2)N1 ZINC000004311521 176529294 /nfs/dbraw/zinc/52/92/94/176529294.db2.gz TWPXNKVKSHHEAD-GFCCVEGCSA-N 0 0 233.340 2.012 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000237445291 176584838 /nfs/dbraw/zinc/58/48/38/176584838.db2.gz JTZCUAFOGAKIOK-YPMHNXCESA-N 0 0 233.311 2.024 50 0 BEAARN C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1 ZINC000012985363 176785898 /nfs/dbraw/zinc/78/58/98/176785898.db2.gz WQROHDSVCZRZGO-JTQLQIEISA-N 0 0 248.326 2.176 50 0 BEAARN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000305230577 176997191 /nfs/dbraw/zinc/99/71/91/176997191.db2.gz RORHUVKMKCVVSE-XQQFMLRXSA-N 0 0 237.343 2.105 50 0 BEAARN C[C@H](O)C[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000305230578 177002353 /nfs/dbraw/zinc/00/23/53/177002353.db2.gz RORHUVKMKCVVSE-YNEHKIRRSA-N 0 0 237.343 2.105 50 0 BEAARN C[C@H](O)c1cc(Br)cnc1F ZINC000032914802 177016621 /nfs/dbraw/zinc/01/66/21/177016621.db2.gz WWCXWHCEIGTHSO-BYPYZUCNSA-N 0 0 220.041 2.037 50 0 BEAARN C[C@H](O)c1ccc(-c2ccc(CO)o2)cc1 ZINC000002637896 177016812 /nfs/dbraw/zinc/01/68/12/177016812.db2.gz RCVJOGSDFQAHAG-VIFPVBQESA-N 0 0 218.252 2.492 50 0 BEAARN C[C@H](OC(=O)[C@H]1C[C@@H]1C)C(=O)Nc1ccccc1 ZINC000005699767 177020185 /nfs/dbraw/zinc/02/01/85/177020185.db2.gz MTMNVCRGENNVIW-NHCYSSNCSA-N 0 0 247.294 2.213 50 0 BEAARN C[C@H](OCC(F)(F)F)C(=O)NC1CCCC1 ZINC000040092953 177020265 /nfs/dbraw/zinc/02/02/65/177020265.db2.gz YZJWRWBGXXKXRJ-ZETCQYMHSA-N 0 0 239.237 2.013 50 0 BEAARN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CC1 ZINC000049890168 177022202 /nfs/dbraw/zinc/02/22/02/177022202.db2.gz BMBWALWZTBEFIF-ZETCQYMHSA-N 0 0 241.237 2.011 50 0 BEAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000001125331 177022736 /nfs/dbraw/zinc/02/27/36/177022736.db2.gz AEEATZXNBFBGAS-VIFPVBQESA-N 0 0 221.300 2.237 50 0 BEAARN C[C@H](Oc1ccc(OCC2CCC2)cc1)C(N)=O ZINC000089369107 177023475 /nfs/dbraw/zinc/02/34/75/177023475.db2.gz CZYSKUKQWFHDNN-JTQLQIEISA-N 0 0 249.310 2.118 50 0 BEAARN C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC1 ZINC000032958270 177023926 /nfs/dbraw/zinc/02/39/26/177023926.db2.gz YGLNNFMVPDROEA-JTQLQIEISA-N 0 0 237.274 2.215 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)Nc1cccnc1 ZINC000000363084 177024423 /nfs/dbraw/zinc/02/44/23/177024423.db2.gz QRNOGFVQLVSQRY-NSHDSACASA-N 0 0 242.278 2.488 50 0 BEAARN C[C@H](SCC(C)(C)C)C(=O)N(C)C ZINC000225640731 177025795 /nfs/dbraw/zinc/02/57/95/177025795.db2.gz DFNKJUQTBPCTTI-QMMMGPOBSA-N 0 0 203.351 2.242 50 0 BEAARN C[C@H](SCC(N)=O)c1cccs1 ZINC000077961218 177027254 /nfs/dbraw/zinc/02/72/54/177027254.db2.gz GXYUFRGGMAGRRN-LURJTMIESA-N 0 0 201.316 2.028 50 0 BEAARN C[C@H](SCC1CCCC1)C(=O)N(C)C ZINC000095940642 177027322 /nfs/dbraw/zinc/02/73/22/177027322.db2.gz MPSRVWUDLSSVGE-VIFPVBQESA-N 0 0 215.362 2.387 50 0 BEAARN C[C@H](SCc1ccccc1)C(=O)N(C)C ZINC000072749771 177027693 /nfs/dbraw/zinc/02/76/93/177027693.db2.gz OPWJUJCMHQLAMI-JTQLQIEISA-N 0 0 223.341 2.397 50 0 BEAARN C[C@H](SC[C@H]1CCC[C@@H](C)C1)C(N)=O ZINC000092338525 177027821 /nfs/dbraw/zinc/02/78/21/177027821.db2.gz IWXFFWPZXPAOCY-UTLUCORTSA-N 0 0 215.362 2.420 50 0 BEAARN C[C@H](Sc1ccccc1)C(=O)NC1CC1 ZINC000000309305 177029111 /nfs/dbraw/zinc/02/91/11/177029111.db2.gz XEPXOKZIPVNWEW-VIFPVBQESA-N 0 0 221.325 2.446 50 0 BEAARN C[C@H](c1cc(F)ccc1F)N1CC[C@H](O)C1 ZINC000114470039 177031944 /nfs/dbraw/zinc/03/19/44/177031944.db2.gz XYCIXVIUDNUJMK-SCZZXKLOSA-N 0 0 227.254 2.092 50 0 BEAARN C[C@H](c1ccccc1)N1OCC(C)(C)C(=O)C1=O ZINC000002087805 177039980 /nfs/dbraw/zinc/03/99/80/177039980.db2.gz VWCLLYDOIREHPD-SNVBAGLBSA-N 0 0 247.294 2.117 50 0 biogenic BEAARN C[C@H](c1ccncc1)N1CCOC(C)(C)C1 ZINC000069972199 177051316 /nfs/dbraw/zinc/05/13/16/177051316.db2.gz XCVDRSAPFBKKSD-LLVKDONJSA-N 0 0 220.316 2.253 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 ZINC000058230701 177082123 /nfs/dbraw/zinc/08/21/23/177082123.db2.gz QVDCHSZTIPFJNY-JQWIXIFHSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccn1 ZINC000032841328 177087927 /nfs/dbraw/zinc/08/79/27/177087927.db2.gz QMXQHIZLRAGABF-WCQYABFASA-N 0 0 247.342 2.460 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)C1CCOCC1 ZINC000058230706 177088353 /nfs/dbraw/zinc/08/83/53/177088353.db2.gz QVDCHSZTIPFJNY-CMPLNLGQSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)n1ccnc1 ZINC000032628626 177088862 /nfs/dbraw/zinc/08/88/62/177088862.db2.gz GZPOELWUWAUAJL-VHSXEESVSA-N 0 0 207.277 2.020 50 0 BEAARN C[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000040505879 177091778 /nfs/dbraw/zinc/09/17/78/177091778.db2.gz ZYVLRFFHDODNDS-RYUDHWBXSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@H]1CCC[C@@H](NC(=O)Nc2nncs2)C1 ZINC000043127806 177122127 /nfs/dbraw/zinc/12/21/27/177122127.db2.gz BMKWCXUXPXKODD-JGVFFNPUSA-N 0 0 240.332 2.238 50 0 BEAARN C[C@H]1CCN(C(=O)OC(C)(C)C)CCC1=O ZINC000097759038 177151413 /nfs/dbraw/zinc/15/14/13/177151413.db2.gz FPTMDKGETGTSCG-VIFPVBQESA-N 0 0 227.304 2.223 50 0 BEAARN C[C@H]1CC[N@H+](CC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000267056105 177159155 /nfs/dbraw/zinc/15/91/55/177159155.db2.gz RVDJMKDZRMUACA-TVQRCGJNSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H]1CCN(Cc2ccon2)CC1(F)F ZINC000336394942 177167024 /nfs/dbraw/zinc/16/70/24/177167024.db2.gz ITVCITBWNBUCQG-QMMMGPOBSA-N 0 0 216.231 2.152 50 0 BEAARN C[C@@H]1CC[C@H](C)N1c1ncnc(N)c1Cl ZINC000225481447 177187315 /nfs/dbraw/zinc/18/73/15/177187315.db2.gz XAHAYEVHJIXWEV-KNVOCYPGSA-N 0 0 226.711 2.089 50 0 BEAARN C[C@H]1CCc2c(sc3ncn4ncnc4c23)C1 ZINC000000301693 177208998 /nfs/dbraw/zinc/20/89/98/177208998.db2.gz YDRSZSKSGMUZEJ-ZETCQYMHSA-N 0 0 244.323 2.464 50 0 BEAARN C[C@H]1CN(C(=O)/C=C/c2ccccc2)C[C@H](C)O1 ZINC000005676492 177211128 /nfs/dbraw/zinc/21/11/28/177211128.db2.gz LRHCUXPHENVHGT-TYDXBBDOSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H](C)O1 ZINC000012341469 177227302 /nfs/dbraw/zinc/22/73/02/177227302.db2.gz XIXAYXQQIUCREY-AOOOYVTPSA-N 0 0 237.274 2.075 50 0 BEAARN C[C@H]1CN(CCc2ccccc2)CCC1=O ZINC000000129225 177254894 /nfs/dbraw/zinc/25/48/94/177254894.db2.gz FYNKVRCSKRJSSF-LBPRGKRZSA-N 0 0 217.312 2.140 50 0 BEAARN C[C@@H]1CN(Cc2cccc(O)c2)C[C@H](C)O1 ZINC000084827839 177265321 /nfs/dbraw/zinc/26/53/21/177265321.db2.gz PHPCNJRMDITAOG-PHIMTYICSA-N 0 0 221.300 2.001 50 0 BEAARN C[C@H]1CN(Cc2ccccc2F)CCO1 ZINC000040479432 177265730 /nfs/dbraw/zinc/26/57/30/177265730.db2.gz HEESVUUESWGQJN-JTQLQIEISA-N 0 0 209.264 2.046 50 0 BEAARN C[C@H]1CN=C(Nc2cccc(O)c2)S1 ZINC000000333213 177281848 /nfs/dbraw/zinc/28/18/48/177281848.db2.gz WAICHRCMCQSSEP-ZETCQYMHSA-N 0 0 208.286 2.295 50 0 BEAARN C[C@H]1COCC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000170619050 177294902 /nfs/dbraw/zinc/29/49/02/177294902.db2.gz IOXLPTLEGXNZET-CABZTGNLSA-N 0 0 231.299 2.400 50 0 BEAARN C[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000117695 177339201 /nfs/dbraw/zinc/33/92/01/177339201.db2.gz VKVCMTXNNRZRHR-ONGXEEELSA-N 0 0 214.272 2.072 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000012979445 177339432 /nfs/dbraw/zinc/33/94/32/177339432.db2.gz VBUJCSMOXICNDW-CABZTGNLSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCCCc1ccccc1 ZINC000044866039 177340428 /nfs/dbraw/zinc/34/04/28/177340428.db2.gz HEMJRMPGCWQHEW-AAEUAGOBSA-N 0 0 217.312 2.391 50 0 BEAARN C[C@H]1C[C@H](Sc2ccccc2O)C(=O)O1 ZINC000089920146 177374902 /nfs/dbraw/zinc/37/49/02/177374902.db2.gz GJQSZGMWFDYFGG-XVKPBYJWSA-N 0 0 224.281 2.188 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000012979449 177376208 /nfs/dbraw/zinc/37/62/08/177376208.db2.gz VBUJCSMOXICNDW-JOYOIKCWSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@H]1Cc2cc(-c3ccnc(N)n3)ccc2O1 ZINC000049543325 177388381 /nfs/dbraw/zinc/38/83/81/177388381.db2.gz OROTZVGLRXFRRF-QMMMGPOBSA-N 0 0 227.267 2.049 50 0 biogenic BEAARN C[C@H]1Cc2ccccc2N1C(=O)Nc1cn[nH]c1 ZINC000070036943 177389755 /nfs/dbraw/zinc/38/97/55/177389755.db2.gz HFXUDOWKKVOICJ-VIFPVBQESA-N 0 0 242.282 2.393 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCOC1 ZINC000082337166 177390896 /nfs/dbraw/zinc/39/08/96/177390896.db2.gz LNAGLHNDIUPFLM-AAEUAGOBSA-N 0 0 245.322 2.391 50 0 BEAARN C[C@@H]1CCCN(C(=O)Nc2ccncn2)[C@H]1C ZINC000194201304 177424871 /nfs/dbraw/zinc/42/48/71/177424871.db2.gz MUKPNXIOILSKNI-ZJUUUORDSA-N 0 0 234.303 2.129 50 0 BEAARN C[C@]1(C(=O)NCc2ccco2)CC1(Cl)Cl ZINC000003613360 177455362 /nfs/dbraw/zinc/45/53/62/177455362.db2.gz UXQNIFRJOXYDEG-SECBINFHSA-N 0 0 248.109 2.480 50 0 BEAARN C[C@]1(CCc2ccccc2)NC(=O)CS1 ZINC000000350904 177459734 /nfs/dbraw/zinc/45/97/34/177459734.db2.gz GMHZZGWYGNQZAL-LBPRGKRZSA-N 0 0 221.325 2.198 50 0 BEAARN C[S@@](=O)c1ccc(Br)cc1 ZINC000004829168 177492452 /nfs/dbraw/zinc/49/24/52/177492452.db2.gz MPOPDYTWAYBUOD-JTQLQIEISA-N 0 0 219.103 2.187 50 0 BEAARN C[Si](C)(C)c1nc(Br)cs1 ZINC000169811403 177500247 /nfs/dbraw/zinc/50/02/47/177500247.db2.gz WLQGXFSBIGJXDA-UHFFFAOYSA-N 0 0 236.210 2.451 50 0 BEAARN c1cc2c(ncnc2NCC[C@H]2CCCOC2)[nH]1 ZINC000528074328 262904099 /nfs/dbraw/zinc/90/40/99/262904099.db2.gz QHENTWVNDMDLAJ-SNVBAGLBSA-N 0 0 246.314 2.138 50 0 BEAARN CS[C@H]1CC[C@@H](N(C)CC(F)F)C1 ZINC000083859016 487700979 /nfs/dbraw/zinc/70/09/79/487700979.db2.gz HLOKHFJNNISLEQ-SFYZADRCSA-N 0 0 209.305 2.467 50 0 BEAARN COC(=O)c1cc(Cl)cc(C)c1OC ZINC000082724924 487721831 /nfs/dbraw/zinc/72/18/31/487721831.db2.gz YDMTVSXHQOWZPY-UHFFFAOYSA-N 0 0 214.648 2.444 50 0 BEAARN C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000097097330 487829078 /nfs/dbraw/zinc/82/90/78/487829078.db2.gz FOQYHWQHPGHJLH-UBHSHLNASA-N 0 0 247.338 2.067 50 0 BEAARN O=S1(=Nc2cccc(O)c2)CCCC1 ZINC000334163860 487859691 /nfs/dbraw/zinc/85/96/91/487859691.db2.gz PREBUROIKCTTJR-UHFFFAOYSA-N 0 0 211.286 2.286 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccncc1 ZINC000046041267 487870970 /nfs/dbraw/zinc/87/09/70/487870970.db2.gz CCYBLTGLMXHHCY-ONNFQVAWSA-N 0 0 204.273 2.054 50 0 BEAARN CN(Cc1ccccc1)C(=O)Nc1cn[nH]c1 ZINC000048960652 487936706 /nfs/dbraw/zinc/93/67/06/487936706.db2.gz IXOYLDAQESHGDN-UHFFFAOYSA-N 0 0 230.271 2.074 50 0 BEAARN OCCOc1cccc(C(F)(F)F)c1 ZINC000058846081 323099541 /nfs/dbraw/zinc/09/95/41/323099541.db2.gz XZFROFAISZKBSS-UHFFFAOYSA-N 0 0 206.163 2.077 50 0 BEAARN Cc1cc(C(=O)NCC[C@H]2CCOC2)cs1 ZINC000534581221 323153812 /nfs/dbraw/zinc/15/38/12/323153812.db2.gz JXVKCCVPAVNBPZ-JTQLQIEISA-N 0 0 239.340 2.213 50 0 BEAARN CCn1nccc1-c1ccc(C(=O)N(C)C)cc1 ZINC000534589055 323154432 /nfs/dbraw/zinc/15/44/32/323154432.db2.gz KLZBCHHSCYEAPJ-UHFFFAOYSA-N 0 0 243.310 2.272 50 0 BEAARN COCCOc1ccc(-c2nccnc2C)cc1 ZINC000534642209 323156574 /nfs/dbraw/zinc/15/65/74/323156574.db2.gz NLSCSOUWYISXJN-UHFFFAOYSA-N 0 0 244.294 2.477 50 0 BEAARN CCCC1(CNC(=O)CCc2cn[nH]c2)CCC1 ZINC000534637794 323157121 /nfs/dbraw/zinc/15/71/21/323157121.db2.gz KMIURSTXCBYDJX-UHFFFAOYSA-N 0 0 249.358 2.429 50 0 BEAARN CCc1ccc2c(c1)C(=O)N(C)[C@H](CC)C(=O)N2 ZINC000534638572 323157148 /nfs/dbraw/zinc/15/71/48/323157148.db2.gz OQDDBQZUGUXIIB-GFCCVEGCSA-N 0 0 246.310 2.052 50 0 BEAARN CC(C)C1(CNC(=O)CCc2ccno2)CC1 ZINC000534651678 323157474 /nfs/dbraw/zinc/15/74/74/323157474.db2.gz RXNJLZGMZVNKBZ-UHFFFAOYSA-N 0 0 236.315 2.160 50 0 BEAARN CC/C=C/CC(=O)NC[C@H](C)n1cc(C)cn1 ZINC000534648380 323158201 /nfs/dbraw/zinc/15/82/01/323158201.db2.gz CYGSLSHZECCXLJ-FYJFLYSWSA-N 0 0 235.331 2.225 50 0 BEAARN CCn1nccc1-c1ccc(Cl)c(C(N)=O)c1 ZINC000534667074 323158633 /nfs/dbraw/zinc/15/86/33/323158633.db2.gz VNNPZYFVPPOXSA-UHFFFAOYSA-N 0 0 249.701 2.322 50 0 BEAARN C=CC1=CC(C)(C)[C@H]2OC[C@@H](CC(=O)OC)[C@@H]12 ZINC000034456087 323235630 /nfs/dbraw/zinc/23/56/30/323235630.db2.gz XTXTYERORJYZSJ-RTXFEEFZSA-N 0 0 236.311 2.333 50 0 BEAARN O[C@H]1C=CCC2(CCCC2)[C@@]12CCCO2 ZINC000043198881 323236805 /nfs/dbraw/zinc/23/68/05/323236805.db2.gz YJIXCWYIXRYXMS-WCQYABFASA-N 0 0 208.301 2.417 50 0 BEAARN CS(=O)(=O)Cc1ccc(F)cc1Cl ZINC000058594924 488011717 /nfs/dbraw/zinc/01/17/17/488011717.db2.gz NLVCGDZGBIZNJO-UHFFFAOYSA-N 0 0 222.668 2.024 50 0 BEAARN Cc1nc(CNc2ccc3[nH]nnc3c2)cs1 ZINC000084274827 488041714 /nfs/dbraw/zinc/04/17/14/488041714.db2.gz YOMFJBNLQORJIH-UHFFFAOYSA-N 0 0 245.311 2.335 50 0 BEAARN CC[C@H](C)[C@@H](CO)Nc1ncccc1F ZINC000084487537 488053604 /nfs/dbraw/zinc/05/36/04/488053604.db2.gz CXGLKRWJIIHZHE-WCBMZHEXSA-N 0 0 212.268 2.040 50 0 BEAARN C=CC(=O)Nc1ccccc1N1CCCC1 ZINC000036334908 488092569 /nfs/dbraw/zinc/09/25/69/488092569.db2.gz JBXJOSSUBROOCD-UHFFFAOYSA-N 0 0 216.284 2.411 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)c(N(C)C)c1 ZINC000084793846 488098481 /nfs/dbraw/zinc/09/84/81/488098481.db2.gz LHEBBWJRBSZEOZ-DGCLKSJQSA-N 0 0 246.354 2.333 50 0 BEAARN Cc1ccnc(CN2CCC[C@@](C)(F)C2)n1 ZINC000336275226 487537959 /nfs/dbraw/zinc/53/79/59/487537959.db2.gz FGWRIRNBDLJWJF-GFCCVEGCSA-N 0 0 223.295 2.109 50 0 BEAARN Cc1ccnc(CN2CCC[C@](C)(F)C2)n1 ZINC000336275227 487538100 /nfs/dbraw/zinc/53/81/00/487538100.db2.gz FGWRIRNBDLJWJF-LBPRGKRZSA-N 0 0 223.295 2.109 50 0 BEAARN CCOc1cc(CC[C@H](C)O)ccc1O ZINC000062153406 487495267 /nfs/dbraw/zinc/49/52/67/487495267.db2.gz URXXRBYISKXBBJ-VIFPVBQESA-N 0 0 210.273 2.104 50 0 BEAARN CC(C)OCCCNc1cc(C2CC2)ncn1 ZINC000585092912 487500162 /nfs/dbraw/zinc/50/01/62/487500162.db2.gz UDJNPMKXDJMDDU-UHFFFAOYSA-N 0 0 235.331 2.003 50 0 BEAARN CCCc1cnc(N2CC[C@H](C(C)(C)O)C2)nc1 ZINC000670460086 487512624 /nfs/dbraw/zinc/51/26/24/487512624.db2.gz NZQQWIUJKTWLIT-LBPRGKRZSA-N 0 0 249.358 2.026 50 0 BEAARN Cc1cnc(CN2CCO[C@@H](CC(C)C)C2)cn1 ZINC000670458234 487510813 /nfs/dbraw/zinc/51/08/13/487510813.db2.gz OVJQWQVWFIABAQ-AWEZNQCLSA-N 0 0 249.358 2.032 50 0 BEAARN O=C(Nc1ccncc1)c1ccc2c[nH]nc2c1 ZINC000060393189 487606375 /nfs/dbraw/zinc/60/63/75/487606375.db2.gz FIOYINOVNHIBBG-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN CC[C@]1(CO)CCCN(c2ccncc2F)C1 ZINC000092106964 488081467 /nfs/dbraw/zinc/08/14/67/488081467.db2.gz ALIXLWFJYRSGBC-ZDUSSCGKSA-N 0 0 238.306 2.210 50 0 BEAARN CC(C)c1cc(Br)n(C)n1 ZINC000214417393 488166457 /nfs/dbraw/zinc/16/64/57/488166457.db2.gz HQYVXZCXRDJIHG-UHFFFAOYSA-N 0 0 203.083 2.306 50 0 BEAARN Cn1cc(C(=O)n2ccnc2)c2ccccc21 ZINC000039019631 490116500 /nfs/dbraw/zinc/11/65/00/490116500.db2.gz VKQCRWPGRLMLTR-UHFFFAOYSA-N 0 0 225.251 2.063 50 0 BEAARN C[C@H](NC(=O)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000006726264 490250243 /nfs/dbraw/zinc/25/02/43/490250243.db2.gz ABYJVNLSKNKHGF-CABZTGNLSA-N 0 0 237.274 2.123 50 0 BEAARN Cc1nc(C=O)sc1Br ZINC000071789015 490278068 /nfs/dbraw/zinc/27/80/68/490278068.db2.gz WWQWQYNWIVDNTA-UHFFFAOYSA-N 0 0 206.064 2.027 50 0 BEAARN CCc1ccc(CN2CCOCC2)cc1 ZINC000019635038 491063592 /nfs/dbraw/zinc/06/35/92/491063592.db2.gz KWRBWHORQRERAX-UHFFFAOYSA-N 0 0 205.301 2.081 50 0 BEAARN COC(=O)c1ccc(N)c(C(C)(C)C)c1 ZINC000575629784 491066497 /nfs/dbraw/zinc/06/64/97/491066497.db2.gz PQOMIGZWYDPHTR-UHFFFAOYSA-N 0 0 207.273 2.353 50 0 BEAARN Cc1cc(=O)c(OCc2ccn(C(C)C)n2)co1 ZINC000194691471 491087064 /nfs/dbraw/zinc/08/70/64/491087064.db2.gz CCGAPBLRLSNFEA-UHFFFAOYSA-N 0 0 248.282 2.305 50 0 BEAARN CNC(=O)c1ccc(CSc2ncc[nH]2)cc1 ZINC000078931898 491103419 /nfs/dbraw/zinc/10/34/19/491103419.db2.gz DWRSITDCOMKTAJ-UHFFFAOYSA-N 0 0 247.323 2.062 50 0 BEAARN CCCc1cnc(C)nc1N(C)C[C@@H]1CCOC1 ZINC000670435739 491105291 /nfs/dbraw/zinc/10/52/91/491105291.db2.gz LCLBPNNHDYGZQN-LBPRGKRZSA-N 0 0 249.358 2.210 50 0 BEAARN c1csc(CCOn2nnc3ccccc32)c1 ZINC000097103777 491125117 /nfs/dbraw/zinc/12/51/17/491125117.db2.gz XUBCNYUQKGEQLR-UHFFFAOYSA-N 0 0 245.307 2.164 50 0 BEAARN Cc1cccc2c(Br)cnn21 ZINC000084312704 491127691 /nfs/dbraw/zinc/12/76/91/491127691.db2.gz WVRZICKHSORBHY-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CCc1nsc(NCc2cc(C)no2)n1 ZINC000083654975 491162430 /nfs/dbraw/zinc/16/24/30/491162430.db2.gz NTKDEZHOKGXDRA-UHFFFAOYSA-N 0 0 224.289 2.009 50 0 BEAARN C[C@H]1C[C@H]1C(=O)c1nc(C2OCCO2)cs1 ZINC000757124977 582499726 /nfs/dbraw/zinc/49/97/26/582499726.db2.gz RWDIZGZVRBZSQI-NKWVEPMBSA-N 0 0 239.296 2.027 50 0 BEAARN CC(=O)c1c(C)cccc1NC(=O)[C@H]1CCCO1 ZINC000157988040 518234926 /nfs/dbraw/zinc/23/49/26/518234926.db2.gz GLUYENRKFKSDDU-GFCCVEGCSA-N 0 0 247.294 2.315 50 0 BEAARN CC(C)(C(=O)Nc1ccccn1)C(F)F ZINC000336054232 534382507 /nfs/dbraw/zinc/38/25/07/534382507.db2.gz SPUVWJZVVQZKNW-UHFFFAOYSA-N 0 0 214.215 2.311 50 0 BEAARN CC(C)c1noc(OCc2ccccn2)n1 ZINC000070040268 519907729 /nfs/dbraw/zinc/90/77/29/519907729.db2.gz DQKPDCSODRJKLN-UHFFFAOYSA-N 0 0 219.244 2.167 50 0 BEAARN CC(C)(C)C(=O)N1CCOc2ccccc21 ZINC000064554703 534455850 /nfs/dbraw/zinc/45/58/50/534455850.db2.gz UQYWIMRWQHJZGU-UHFFFAOYSA-N 0 0 219.284 2.458 50 0 BEAARN CC/C=C/COC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000071859290 520202191 /nfs/dbraw/zinc/20/21/91/520202191.db2.gz XIZCHDVRYIZLJD-RUULKOMLSA-N 0 0 234.299 2.033 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)N1CCOCC1 ZINC000002727427 521030407 /nfs/dbraw/zinc/03/04/07/521030407.db2.gz KAPKTXGOUPZXBX-GFCCVEGCSA-N 0 0 242.363 2.245 50 0 BEAARN CCOCCCNC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000390835629 521713371 /nfs/dbraw/zinc/71/33/71/521713371.db2.gz SSZIPQMAOJWDMK-RYUDHWBXSA-N 0 0 242.363 2.291 50 0 BEAARN CCc1nnc(CN(C)Cc2ccccc2F)o1 ZINC000069485634 522723945 /nfs/dbraw/zinc/72/39/45/522723945.db2.gz PZQBMMSRZMXOBI-UHFFFAOYSA-N 0 0 249.289 2.403 50 0 BEAARN COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000002555024 523893705 /nfs/dbraw/zinc/89/37/05/523893705.db2.gz QSEVMIMUBKMNOU-VIFPVBQESA-N 0 0 245.319 2.099 50 0 BEAARN C[C@H](CNc1ncccc1F)Cn1cccn1 ZINC000091432207 524512820 /nfs/dbraw/zinc/51/28/20/524512820.db2.gz OHFRQMXZSSHRKX-SNVBAGLBSA-N 0 0 234.278 2.165 50 0 BEAARN CC(=O)N1CCOc2ccc(Cl)cc21 ZINC000037627096 534802067 /nfs/dbraw/zinc/80/20/67/534802067.db2.gz MZGPQJDYCFPKOG-UHFFFAOYSA-N 0 0 211.648 2.085 50 0 BEAARN C[C@H]1Cc2ccccc2C[N@@H+]1CCCC(=O)[O-] ZINC000172995243 524986752 /nfs/dbraw/zinc/98/67/52/524986752.db2.gz KIHCXNPWLXVYPO-NSHDSACASA-N 0 0 233.311 2.298 50 0 BEAARN CC(C)(C)OC(=O)N1CCCc2ncncc21 ZINC000038540236 534833981 /nfs/dbraw/zinc/83/39/81/534833981.db2.gz WPDDJAYYNLGCBW-UHFFFAOYSA-N 0 0 235.287 2.164 50 0 BEAARN CC(C)(C)OC(=O)N1CCOC[C@@H]1C1CC1 ZINC000089781686 534842255 /nfs/dbraw/zinc/84/22/55/534842255.db2.gz WODPCOWZBSAGOO-SNVBAGLBSA-N 0 0 227.304 2.032 50 0 BEAARN CSCC(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000246535884 525357507 /nfs/dbraw/zinc/35/75/07/525357507.db2.gz JCOXCATWCBUZFZ-FBIMIBRVSA-N 0 0 244.356 2.096 50 0 BEAARN Cc1cc(OCc2ccn(C(C)C)n2)nn1C ZINC000179482740 525375470 /nfs/dbraw/zinc/37/54/70/525375470.db2.gz JUZOSHRPCJLQER-UHFFFAOYSA-N 0 0 234.303 2.085 50 0 BEAARN Cc1nc[nH]c1CN(Cc1nccs1)C1CC1 ZINC000244718827 525459821 /nfs/dbraw/zinc/45/98/21/525459821.db2.gz LRLIAOJHKLFPRS-UHFFFAOYSA-N 0 0 248.355 2.339 50 0 BEAARN C[C@@H]1[C@H](C)SCCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248358726 525694481 /nfs/dbraw/zinc/69/44/81/525694481.db2.gz RCNDQRDFIRGGLB-LVEVGFFFSA-N 0 0 239.384 2.385 50 0 BEAARN O[C@H](CNc1ccc(F)cn1)Cc1ccccc1 ZINC000253415456 526282686 /nfs/dbraw/zinc/28/26/86/526282686.db2.gz FKJSJGOKCGLHSJ-ZDUSSCGKSA-N 0 0 246.285 2.236 50 0 BEAARN Cc1nnc(CN2CC[C@@H]2c2ccc(F)cc2)o1 ZINC000244884362 526338553 /nfs/dbraw/zinc/33/85/53/526338553.db2.gz YLDNZLGEERNHCW-GFCCVEGCSA-N 0 0 247.273 2.464 50 0 BEAARN Cc1nnc(N2CCC[C@@H]2c2ccco2)o1 ZINC000253415451 526357971 /nfs/dbraw/zinc/35/79/71/526357971.db2.gz DPTBUBBKOZRMIR-SECBINFHSA-N 0 0 219.244 2.313 50 0 BEAARN Cc1noc(NCc2ccc(F)cc2)n1 ZINC000057353887 526640937 /nfs/dbraw/zinc/64/09/37/526640937.db2.gz JQMSSTQLYVBHPT-UHFFFAOYSA-N 0 0 207.208 2.129 50 0 BEAARN CO[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccco1 ZINC000206861856 536497498 /nfs/dbraw/zinc/49/74/98/536497498.db2.gz YJEOZLQIUXOPRM-YPMHNXCESA-N 0 0 249.310 2.440 50 0 BEAARN O=C1CCOc2cc(F)c(Cl)cc21 ZINC000116943492 526989397 /nfs/dbraw/zinc/98/93/97/526989397.db2.gz NCJQKDQIJMTYJK-UHFFFAOYSA-N 0 0 200.596 2.444 50 0 BEAARN CC(=O)c1ccc(NC(=O)c2cc(C)on2)cc1 ZINC000000372153 527314173 /nfs/dbraw/zinc/31/41/73/527314173.db2.gz TVFYXCWAOYOHNO-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN Cc1nccn1C[C@@H](C)CSc1ncccn1 ZINC000089735550 527439131 /nfs/dbraw/zinc/43/91/31/527439131.db2.gz FYTKEZKFDROLGA-SNVBAGLBSA-N 0 0 248.355 2.410 50 0 BEAARN Cc1ncnc(NC[C@H]2CC[C@H](CO)CC2)c1C ZINC000244811419 527463034 /nfs/dbraw/zinc/46/30/34/527463034.db2.gz SCGIHWIORFKMGF-JOCQHMNTSA-N 0 0 249.358 2.304 50 0 BEAARN OC[C@H](O)c1cccc(Cl)c1Cl ZINC000095532615 527611919 /nfs/dbraw/zinc/61/19/19/527611919.db2.gz SIDJPCNXLFFGDH-ZETCQYMHSA-N 0 0 207.056 2.019 50 0 BEAARN CCCC[C@H](CC)CNc1[nH]c(=O)nnc1C ZINC000001810502 535011769 /nfs/dbraw/zinc/01/17/69/535011769.db2.gz HECYDEQPKCSDQX-JTQLQIEISA-N 0 0 238.335 2.102 50 0 BEAARN CCOc1ccccc1-c1noc(C)n1 ZINC000002886380 535482266 /nfs/dbraw/zinc/48/22/66/535482266.db2.gz SCWMQXXQLLHTFG-UHFFFAOYSA-N 0 0 204.229 2.444 50 0 BEAARN CCN1CCN(C(=O)C2CCC2)c2cccnc21 ZINC000064929669 535610961 /nfs/dbraw/zinc/61/09/61/535610961.db2.gz VNORMFFHUVDMOQ-UHFFFAOYSA-N 0 0 245.326 2.055 50 0 BEAARN CCc1nc(CNC(=O)C2CC=CC2)cs1 ZINC000076995915 536140923 /nfs/dbraw/zinc/14/09/23/536140923.db2.gz SQHXDVWUFBLNAV-UHFFFAOYSA-N 0 0 236.340 2.288 50 0 BEAARN COC(=O)c1ccc(N2CCCCC2)c(N)c1 ZINC000001060071 536732340 /nfs/dbraw/zinc/73/23/40/536732340.db2.gz NQQHRVRQXJDWRF-UHFFFAOYSA-N 0 0 234.299 2.046 50 0 BEAARN CO[C@H]1C[C@@H](N(C)c2ccnc(C)n2)C12CCC2 ZINC000408519644 536794583 /nfs/dbraw/zinc/79/45/83/536794583.db2.gz KURTXKKMECYRON-NEPJUHHUSA-N 0 0 247.342 2.179 50 0 BEAARN COC[C@@]1(C)CCN(c2ncccc2F)C1 ZINC000336193488 536823871 /nfs/dbraw/zinc/82/38/71/536823871.db2.gz RSJYIPBAVKOTJE-LBPRGKRZSA-N 0 0 224.279 2.084 50 0 BEAARN CC[C@H](C)C(=O)c1nc(C2OCCO2)cs1 ZINC000757124877 582499889 /nfs/dbraw/zinc/49/98/89/582499889.db2.gz QNMXFAAXKCXJNA-ZETCQYMHSA-N 0 0 241.312 2.417 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)c1nc(C2OCCO2)cs1 ZINC000757124987 582500065 /nfs/dbraw/zinc/50/00/65/582500065.db2.gz RWDIZGZVRBZSQI-RQJHMYQMSA-N 0 0 239.296 2.027 50 0 BEAARN CCC[C@H]1CCC(O)=C(C(=O)OCC)C1 ZINC000043651398 582805898 /nfs/dbraw/zinc/80/58/98/582805898.db2.gz XIPCNPGUFDSAMZ-VHSXEESVSA-N 0 0 212.289 2.335 50 0 BEAARN CCn1nccc1/C=C(\C)c1cccnn1 ZINC000888093433 583180131 /nfs/dbraw/zinc/18/01/31/583180131.db2.gz NNFSEFDKFFXEFE-MDZDMXLPSA-N 0 0 214.272 2.254 50 0 BEAARN Cc1noc(-c2nc(Cc3ccccc3)no2)n1 ZINC000888104526 583185136 /nfs/dbraw/zinc/18/51/36/583185136.db2.gz HWGWSSFXDHIGSV-UHFFFAOYSA-N 0 0 242.238 2.019 50 0 BEAARN CSc1nc2ccc(Cl)cc2c(=O)n1C ZINC000005943339 583204205 /nfs/dbraw/zinc/20/42/05/583204205.db2.gz DAMIMMZCNRKRDG-UHFFFAOYSA-N 0 0 240.715 2.309 50 0 BEAARN COC(=O)CSc1ccc([C@H](C)O)cc1 ZINC000082616851 583414076 /nfs/dbraw/zinc/41/40/76/583414076.db2.gz FEGPLPASIVWVQN-QMMMGPOBSA-N 0 0 226.297 2.005 50 0 BEAARN C=CC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000791304252 585976652 /nfs/dbraw/zinc/97/66/52/585976652.db2.gz CNWCMTGZZZUPJR-UHFFFAOYSA-N 0 0 244.338 2.431 50 0 BEAARN C=CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000791351122 585978355 /nfs/dbraw/zinc/97/83/55/585978355.db2.gz OLWGUZNSBCSWBN-NSHDSACASA-N 0 0 245.278 2.265 50 0 BEAARN C=CC(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000791377750 585979607 /nfs/dbraw/zinc/97/96/07/585979607.db2.gz VGSJLFHHQXFYQQ-GHMZBOCLSA-N 0 0 223.316 2.026 50 0 BEAARN c1cc(-c2ccc(O[C@H]3CCOC3)cc2)n[nH]1 ZINC000793368821 586017948 /nfs/dbraw/zinc/01/79/48/586017948.db2.gz XNMAUZXGPMVCFE-LBPRGKRZSA-N 0 0 230.267 2.244 50 0 BEAARN C=CC(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000848979689 588423176 /nfs/dbraw/zinc/42/31/76/588423176.db2.gz YAZAGNJLYFFSAB-GFCCVEGCSA-N 0 0 201.269 2.016 50 0 BEAARN C=CC(=O)NCCc1nsc2ccccc21 ZINC000863971319 589330602 /nfs/dbraw/zinc/33/06/02/589330602.db2.gz OSLRCMODRZBFKU-UHFFFAOYSA-N 0 0 232.308 2.141 50 0 BEAARN C=CC(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000863971514 589330656 /nfs/dbraw/zinc/33/06/56/589330656.db2.gz WMUYATZYBOZWDS-UHFFFAOYSA-N 0 0 248.257 2.077 50 0 BEAARN Cc1cc(-c2nnc3n2CCCC3)c(C)o1 ZINC000863981651 589332741 /nfs/dbraw/zinc/33/27/41/589332741.db2.gz DEVKJBFJPBKDND-UHFFFAOYSA-N 0 0 217.272 2.491 50 0 BEAARN Cc1ncsc1CCn1nc(Cl)nc1C ZINC000864235248 589348542 /nfs/dbraw/zinc/34/85/42/589348542.db2.gz NHWGWLCTABSNMK-UHFFFAOYSA-N 0 0 242.735 2.248 50 0 BEAARN CCC(C)(C)NC(=O)/C=C\c1c(C)nn(C)c1C ZINC000103291031 592578436 /nfs/dbraw/zinc/57/84/36/592578436.db2.gz JWADHRIMNWTSNC-HJWRWDBZSA-N 0 0 249.358 2.355 50 0 BEAARN C[C@@H](C(=O)NC1CCCCC1)n1cccc1 ZINC000006808574 592727418 /nfs/dbraw/zinc/72/74/18/592727418.db2.gz UPULWQQVESGHSQ-NSHDSACASA-N 0 0 220.316 2.498 50 0 BEAARN CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)[O-] ZINC000049354285 597066705 /nfs/dbraw/zinc/06/67/05/597066705.db2.gz JWIDPYZBSDOXSI-ZJUUUORDSA-N 0 0 237.299 2.209 50 0 BEAARN CCOc1cccc(CS[C@H](C)CO)n1 ZINC000097085508 631262981 /nfs/dbraw/zinc/26/29/81/631262981.db2.gz HHEDEAIDWVXIDA-SECBINFHSA-N 0 0 227.329 2.094 50 0 BEAARN CO[C@@H](C)C(=O)NCc1ccc(Cl)c(C)c1 ZINC000097112033 631293186 /nfs/dbraw/zinc/29/31/86/631293186.db2.gz KZKZKNSSVCMSKM-VIFPVBQESA-N 0 0 241.718 2.300 50 0 BEAARN CCC(=O)c1cc(CCOC)ccc1O ZINC000052068515 632786407 /nfs/dbraw/zinc/78/64/07/632786407.db2.gz RXTCBPDUFIPLEZ-UHFFFAOYSA-N 0 0 208.257 2.174 50 0 BEAARN C[C@@H](O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003895091 633154375 /nfs/dbraw/zinc/15/43/75/633154375.db2.gz QOECDQZHLHVSQQ-SEOMOHDOSA-N 0 0 208.301 2.153 50 0 BEAARN C[C@@H]([NH2+]C1CC(C(=O)[O-])C1)c1ccccc1 ZINC000259229196 635259147 /nfs/dbraw/zinc/25/91/47/635259147.db2.gz KWKMNMHKNBBMHG-OIKLOGQESA-N 0 0 219.284 2.200 50 0 BEAARN C=CC(=O)N[C@H](C)[C@@H]1Cc2ccccc21 ZINC000888098619 635377133 /nfs/dbraw/zinc/37/71/33/635377133.db2.gz QWDHKZHMPLMIJC-SKDRFNHKSA-N 0 0 201.269 2.017 50 0 BEAARN COC(=O)C12CC(CC(=O)OC(C)(C)C)(C1)C2 ZINC000238790010 635625053 /nfs/dbraw/zinc/62/50/53/635625053.db2.gz YLXLTFGANZGYGI-UHFFFAOYSA-N 0 0 240.299 2.062 50 0 BEAARN CSc1cccc(-n2cc([C@H](C)O)nn2)c1 ZINC000163363669 636608026 /nfs/dbraw/zinc/60/80/26/636608026.db2.gz NLSJJFXLDLMWSD-QMMMGPOBSA-N 0 0 235.312 2.043 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@H](C2CCCCC2)[NH2+]1 ZINC000163959936 640432433 /nfs/dbraw/zinc/43/24/33/640432433.db2.gz BJBYQSKVOHCNGF-MNOVXSKESA-N 0 0 211.305 2.162 50 0 BEAARN COc1cccc(Cl)c1-c1cnc(N)cn1 ZINC000032587214 641394880 /nfs/dbraw/zinc/39/48/80/641394880.db2.gz JUICAYNROKDARW-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN CC(=O)Oc1cc2ccccc2cc1O ZINC000000433257 642774215 /nfs/dbraw/zinc/77/42/15/642774215.db2.gz ZCJQMZFAVMKPHX-UHFFFAOYSA-N 0 0 202.209 2.471 50 0 BEAARN Cc1csc2nc(=O)c(-c3ccccc3)nn12 ZINC000000618403 642798938 /nfs/dbraw/zinc/79/89/38/642798938.db2.gz WJOWAWSKAUYOOO-UHFFFAOYSA-N 0 0 243.291 2.126 50 0 BEAARN CS/C=C/C(=O)OCc1scnc1C ZINC000079111838 643283105 /nfs/dbraw/zinc/28/31/05/643283105.db2.gz FJINUXXAMICBIE-ONEGZZNKSA-N 0 0 229.326 2.371 50 0 BEAARN Cc1nnc(NC(=O)Nc2ccccc2)nc1C ZINC000001200157 643373911 /nfs/dbraw/zinc/37/39/11/643373911.db2.gz XSOXOYKPKURHEL-UHFFFAOYSA-N 0 0 243.270 2.132 50 0 BEAARN CN(C)[S@](=N)(=O)c1ccc(Cl)cc1 ZINC000022205005 643537487 /nfs/dbraw/zinc/53/74/87/643537487.db2.gz ZLWSNZFMSKHWEJ-ZDUSSCGKSA-N 0 0 218.709 2.222 50 0 BEAARN C=CC(=O)NCc1nsc2ccccc21 ZINC000164944583 643573668 /nfs/dbraw/zinc/57/36/68/643573668.db2.gz WGWFYEHDFFHFRX-UHFFFAOYSA-N 0 0 218.281 2.099 50 0 BEAARN CN(c1ccc(C(C)(C)C)nn1)[C@@H]1CCC[C@H]1O ZINC000952962557 643776315 /nfs/dbraw/zinc/77/63/15/643776315.db2.gz CSHWLUZMQDUWOR-GHMZBOCLSA-N 0 0 249.358 2.124 50 0 BEAARN CCc1nocc1CNc1cnc2n[nH]cc2c1 ZINC000952992984 643787374 /nfs/dbraw/zinc/78/73/74/643787374.db2.gz UGMBUORTBDCQIA-UHFFFAOYSA-N 0 0 243.270 2.120 50 0 BEAARN O=c1c2cccnc2ncn1C(C1CC1)C1CC1 ZINC000032511688 644172964 /nfs/dbraw/zinc/17/29/64/644172964.db2.gz ZOQPIRYZUQHCSP-UHFFFAOYSA-N 0 0 241.294 2.153 50 0 BEAARN CC(C)NC(=O)COc1cccc2c1ccn2C ZINC000952963618 644445550 /nfs/dbraw/zinc/44/55/50/644445550.db2.gz WRVJBJCFDKXCCI-UHFFFAOYSA-N 0 0 246.310 2.082 50 0 BEAARN Cc1cncnc1/C=C/c1cn(C(C)(C)C)nn1 ZINC000952993466 644451281 /nfs/dbraw/zinc/45/12/81/644451281.db2.gz NIGVSNGRXNPDIB-AATRIKPKSA-N 0 0 243.314 2.302 50 0 BEAARN c1cc(-c2ccc(O[C@@H]3CCOC3)cc2)n[nH]1 ZINC000793368820 644803544 /nfs/dbraw/zinc/80/35/44/644803544.db2.gz XNMAUZXGPMVCFE-GFCCVEGCSA-N 0 0 230.267 2.244 50 0 BEAARN CO[C@H]1CCC12CCN(C(=O)C1CCC1)CC2 ZINC000257178505 711697856 /nfs/dbraw/zinc/69/78/56/711697856.db2.gz GMNUAIQYLHGJCR-LBPRGKRZSA-N 0 0 237.343 2.204 50 0 BEAARN CCCc1nccn1-c1ccc(OC)c(CO)c1 ZINC000065397745 711501586 /nfs/dbraw/zinc/50/15/86/711501586.db2.gz ATVHHUNILHOUMO-UHFFFAOYSA-N 0 0 246.310 2.326 50 0 BEAARN C[C@H]1CC[C@H](NC(=O)NCC2CSC2)CC1 ZINC000705890149 712138926 /nfs/dbraw/zinc/13/89/26/712138926.db2.gz QEUMWGCKXIOGBD-HOMQSWHASA-N 0 0 242.388 2.227 50 0 BEAARN Cc1cc(-n2ncc3ccccc32)cnc1N ZINC000065525689 712644021 /nfs/dbraw/zinc/64/40/21/712644021.db2.gz UTAXSIBHRSJUIZ-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN CC(=O)O[C@H]1CCCCC=CCCC1=O ZINC000389502744 1166027813 /nfs/dbraw/zinc/02/78/13/1166027813.db2.gz BITJVXHQZHBJHB-LBPRGKRZSA-N 0 0 210.273 2.398 50 0 BEAARN COC(C)(C)C(=O)N[C@H](C)C1=CCCCC1 ZINC000824229796 968584695 /nfs/dbraw/zinc/58/46/95/968584695.db2.gz ZLIHKEHGWFRWBE-SNVBAGLBSA-N 0 0 225.332 2.417 50 0 BEAARN Cc1ccc(C)c([C@@H](C)Nc2nnc(CN)o2)c1 ZINC001772700391 1166507324 /nfs/dbraw/zinc/50/73/24/1166507324.db2.gz CUJAUSDJTMFPPH-SNVBAGLBSA-N 0 0 246.314 2.318 50 0 BEAARN Cc1ncc(Cl)c(N2CCOC(C)(C)C2)n1 ZINC001772707826 1166510598 /nfs/dbraw/zinc/51/05/98/1166510598.db2.gz ZPTIDHDOIVYGFF-UHFFFAOYSA-N 0 0 241.722 2.054 50 0 BEAARN CCOC(=O)[C@@H](C)Cc1ccc(F)c(N)c1 ZINC000117562645 1168331084 /nfs/dbraw/zinc/33/10/84/1168331084.db2.gz IOILCXWFSBNSBD-QMMMGPOBSA-N 0 0 225.263 2.150 50 0 BEAARN CCNC(=O)c1ccccc1NC(=O)OCC ZINC000005312133 980038694 /nfs/dbraw/zinc/03/86/94/980038694.db2.gz PMOQPOHESFDQLK-UHFFFAOYSA-N 0 0 236.271 2.005 50 0 BEAARN C=CC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000585122689 972152243 /nfs/dbraw/zinc/15/22/43/972152243.db2.gz FMYAVWHRZCZZMT-UHFFFAOYSA-N 0 0 247.342 2.088 50 0 BEAARN CO[C@@H](C)[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000585133097 972169654 /nfs/dbraw/zinc/16/96/54/972169654.db2.gz SQDAPAIBOAFVRH-NKWVEPMBSA-N 0 0 247.389 2.120 50 0 BEAARN COCc1noc(-c2ncccc2OC(C)C)n1 ZINC000585133698 972167539 /nfs/dbraw/zinc/16/75/39/972167539.db2.gz RFHIEPFEIZVADL-UHFFFAOYSA-N 0 0 249.270 2.065 50 0 BEAARN CC(F)(F)c1noc(CCc2nccs2)n1 ZINC000585133463 972169036 /nfs/dbraw/zinc/16/90/36/972169036.db2.gz IRHMXQKBEPPSQF-UHFFFAOYSA-N 0 0 245.254 2.423 50 0 BEAARN C[C@H](O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001529532566 967416882 /nfs/dbraw/zinc/41/68/82/967416882.db2.gz ZUIHDHXPSGPWSW-GARJFASQSA-N 0 0 243.347 2.451 50 0 BEAARN C[C@@H](NC(=O)c1nccn1C)C1=CCCCC1 ZINC000820723381 968479752 /nfs/dbraw/zinc/47/97/52/968479752.db2.gz PJEIWFGIMNFPIZ-SNVBAGLBSA-N 0 0 233.315 2.039 50 0 BEAARN C[C@H](NC(=O)c1ncccc1O)C1=CCCCC1 ZINC000820723358 968481738 /nfs/dbraw/zinc/48/17/38/968481738.db2.gz IPOACBIVPLLPKT-JTQLQIEISA-N 0 0 246.310 2.406 50 0 BEAARN C[C@@H](NC(=O)c1cn[nH]c1)C1=CCCCC1 ZINC000820723360 968481907 /nfs/dbraw/zinc/48/19/07/968481907.db2.gz JEOWZRBDOLGGFT-SECBINFHSA-N 0 0 219.288 2.028 50 0 BEAARN Cc1nc(C(=O)NCc2ccncc2C)cs1 ZINC000825317537 968644521 /nfs/dbraw/zinc/64/45/21/968644521.db2.gz VPEAFQXXZUIZES-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cc1nc([C@H](O)C(F)(F)F)c2n1CCCC2 ZINC000828577637 968792100 /nfs/dbraw/zinc/79/21/00/968792100.db2.gz DXAVDYOKDCWNSL-VIFPVBQESA-N 0 0 234.221 2.124 50 0 BEAARN C[C@H](NC(=O)c1ccc(CO)o1)C1=CCCCC1 ZINC000828825984 968809518 /nfs/dbraw/zinc/80/95/18/968809518.db2.gz HPDQMLFKHSSQCK-JTQLQIEISA-N 0 0 249.310 2.391 50 0 BEAARN CC(C)(C)n1ncnc1Cc1cccc(O)c1 ZINC000828925154 968816451 /nfs/dbraw/zinc/81/64/51/968816451.db2.gz GNGDQYOLDSQXFQ-UHFFFAOYSA-N 0 0 231.299 2.330 50 0 BEAARN Cn1c2ccccc2nc1O[C@@H]1CCSC1 ZINC000585652299 973916488 /nfs/dbraw/zinc/91/64/88/973916488.db2.gz WYKNLHFULLOUOT-SECBINFHSA-N 0 0 234.324 2.458 50 0 BEAARN c1ccc2nc(O[C@@H]3CCOC3)ccc2c1 ZINC000585650507 973919584 /nfs/dbraw/zinc/91/95/84/973919584.db2.gz APBSXBDTEXXSEU-LLVKDONJSA-N 0 0 215.252 2.403 50 0 BEAARN Cc1cccc(OC[C@@H]2CCCCO2)n1 ZINC000585654084 973928994 /nfs/dbraw/zinc/92/89/94/973928994.db2.gz CLPZZIMLPLZNDF-NSHDSACASA-N 0 0 207.273 2.338 50 0 BEAARN CC[C@H]1C=CCN1C(=O)CCc1ccncc1 ZINC000952860083 974053224 /nfs/dbraw/zinc/05/32/24/974053224.db2.gz DDGZTTJIDGGHRA-ZDUSSCGKSA-N 0 0 230.311 2.191 50 0 BEAARN Cc1nc(NCc2ccnn2C)cc(C2CC2)n1 ZINC000952876788 974056575 /nfs/dbraw/zinc/05/65/75/974056575.db2.gz FKKGIHFPALBRLK-UHFFFAOYSA-N 0 0 243.314 2.008 50 0 BEAARN c1nnc(CN2CCCNc3ccccc32)s1 ZINC000952877186 974057241 /nfs/dbraw/zinc/05/72/41/974057241.db2.gz MGOHLMBERPPVNV-UHFFFAOYSA-N 0 0 246.339 2.360 50 0 BEAARN c1c[nH]c(-c2nc([C@@H]3CCOC3)cs2)n1 ZINC000952878231 974058082 /nfs/dbraw/zinc/05/80/82/974058082.db2.gz BNQHUWSWPRMFLT-SSDOTTSWSA-N 0 0 221.285 2.037 50 0 BEAARN CC1(C)CCc2nnc(-c3ccc[nH]3)n2C1 ZINC000952882219 974059890 /nfs/dbraw/zinc/05/98/90/974059890.db2.gz SJRQWBMCWZUCEQ-UHFFFAOYSA-N 0 0 216.288 2.246 50 0 BEAARN CC1(C)CCc2nnc([C@@H]3CCCCO3)n2C1 ZINC000952883155 974060245 /nfs/dbraw/zinc/06/02/45/974060245.db2.gz XBSBLDBXWAJQGF-JTQLQIEISA-N 0 0 235.331 2.492 50 0 BEAARN CC(=O)NCC(c1ccco1)c1ccco1 ZINC000669412068 987249761 /nfs/dbraw/zinc/24/97/61/987249761.db2.gz SCHSDNZUCXQGCQ-UHFFFAOYSA-N 0 0 219.240 2.141 50 0 BEAARN CCc1nccn1C[C@H](C)[NH2+]Cc1ccccn1 ZINC001506396975 988771637 /nfs/dbraw/zinc/77/16/37/988771637.db2.gz KSEXWGGANKLHMV-LBPRGKRZSA-N 0 0 244.342 2.019 50 0 BEAARN CN(CC[C@H]1CCCCO1)C(=O)c1ccc[nH]1 ZINC001506404005 988775593 /nfs/dbraw/zinc/77/55/93/988775593.db2.gz DRWGZVSJJDSBNK-LLVKDONJSA-N 0 0 236.315 2.046 50 0 BEAARN Cc1cc(C)n(C[C@@H](C)N(C)Cc2ccon2)n1 ZINC001506415594 988780548 /nfs/dbraw/zinc/78/05/48/988780548.db2.gz PNOSVWPIJGJEIL-GFCCVEGCSA-N 0 0 248.330 2.008 50 0 BEAARN CCc1c(C)noc1NC(=O)c1ccn(C)c1C ZINC001529185026 990336468 /nfs/dbraw/zinc/33/64/68/990336468.db2.gz HUECVBDDJOHHCJ-UHFFFAOYSA-N 0 0 247.298 2.445 50 0 BEAARN Cc1cc(C)cc(OC(=O)N2CCOCC2)c1 ZINC000004195637 177911154 /nfs/dbraw/zinc/91/11/54/177911154.db2.gz UAXFXCOYLNFUKB-UHFFFAOYSA-N 0 0 235.283 2.134 50 0 BEAARN O=Cc1ccccc1OCCCn1ccnc1 ZINC000019094155 136208345 /nfs/dbraw/zinc/20/83/45/136208345.db2.gz QITWIHRMPKLPOF-UHFFFAOYSA-N 0 0 230.267 2.165 50 0 BEAARN NNc1ccc(SC2CCCCC2)nn1 ZINC000071289442 398145893 /nfs/dbraw/zinc/14/58/93/398145893.db2.gz WFOGFXOVEHQZRX-UHFFFAOYSA-N 0 0 224.333 2.187 50 0 BEAARN Cc1cc(CN2CCC[C@H]2c2noc(C)n2)no1 ZINC000075573193 177993981 /nfs/dbraw/zinc/99/39/81/177993981.db2.gz VBXCJTZFYRMBFP-NSHDSACASA-N 0 0 248.286 2.012 50 0 BEAARN CC[C@H](O)CNc1nc(C)cc(C2CCC2)n1 ZINC000071763828 398159214 /nfs/dbraw/zinc/15/92/14/398159214.db2.gz CNNLILMJUSFWRW-NSHDSACASA-N 0 0 235.331 2.235 50 0 BEAARN Cc1cc(CNC(=O)NC2CC2)ccc1F ZINC000012881275 178011951 /nfs/dbraw/zinc/01/19/51/178011951.db2.gz HXDYMTSLKURGKB-UHFFFAOYSA-N 0 0 222.263 2.096 50 0 BEAARN FC(F)(F)C1CCN(c2nncs2)CC1 ZINC000334648944 398173285 /nfs/dbraw/zinc/17/32/85/398173285.db2.gz OJODAGPUEJGFCC-UHFFFAOYSA-N 0 0 237.250 2.317 50 0 BEAARN Cc1cc(CNc2cc(C(N)=O)ccc2C)no1 ZINC000060211092 178041930 /nfs/dbraw/zinc/04/19/30/178041930.db2.gz FKALDTSWBUBTPK-UHFFFAOYSA-N 0 0 245.282 2.002 50 0 BEAARN Cc1cc(CNc2nc(C)nc(C)c2C)n(C)n1 ZINC000092037051 178044323 /nfs/dbraw/zinc/04/43/23/178044323.db2.gz SZKNDXSWEKUTNO-UHFFFAOYSA-N 0 0 245.330 2.056 50 0 BEAARN Cc1cc(CO)ccc1Br ZINC000034590133 178045872 /nfs/dbraw/zinc/04/58/72/178045872.db2.gz HBSHHYYUASJVCG-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN Cc1occc1C(=O)OCc1cc(C)nc(C)n1 ZINC000097110984 178047775 /nfs/dbraw/zinc/04/77/75/178047775.db2.gz IPNGEULRGMNWSC-UHFFFAOYSA-N 0 0 246.266 2.352 50 0 BEAARN C[C@H](Cn1cccn1)Nc1ccc2cc[nH]c2n1 ZINC000072157687 398178968 /nfs/dbraw/zinc/17/89/68/398178968.db2.gz WRLQKILYZUTWTE-SNVBAGLBSA-N 0 0 241.298 2.260 50 0 BEAARN Cc1cc(CSc2nnc(C)s2)on1 ZINC000040473936 178052943 /nfs/dbraw/zinc/05/29/43/178052943.db2.gz TYGKJZCVOPCAIP-UHFFFAOYSA-N 0 0 227.314 2.435 50 0 BEAARN Cc1cc(CSc2nncn2C(C)C)no1 ZINC000039978577 178053159 /nfs/dbraw/zinc/05/31/59/178053159.db2.gz RBFXNPWVBVRPLD-UHFFFAOYSA-N 0 0 238.316 2.448 50 0 BEAARN CCC(CC)C(=O)NCCc1cscn1 ZINC000036103937 168336843 /nfs/dbraw/zinc/33/68/43/168336843.db2.gz UWBOWNSGPIPUPD-UHFFFAOYSA-N 0 0 226.345 2.238 50 0 BEAARN Cc1cc(Cl)ccc1C(=O)NC(C)(C)CO ZINC000195553042 178066241 /nfs/dbraw/zinc/06/62/41/178066241.db2.gz LGVNBEIBKZPEDO-UHFFFAOYSA-N 0 0 241.718 2.149 50 0 BEAARN Cc1cc(F)c(N)cc1Br ZINC000038537191 178075627 /nfs/dbraw/zinc/07/56/27/178075627.db2.gz VPENPNZYTNWJNP-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cc(F)cc(C(=O)N[C@H](C)c2ncon2)c1 ZINC000095994434 178077103 /nfs/dbraw/zinc/07/71/03/178077103.db2.gz RVSJVRACQXXYKD-MRVPVSSYSA-N 0 0 249.245 2.008 50 0 BEAARN Cc1cc(F)cc(N)c1Br ZINC000097442004 178078360 /nfs/dbraw/zinc/07/83/60/178078360.db2.gz KJRKUQZCTNUGFV-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cc(F)ccc1NC(=O)c1cnn(C)c1 ZINC000000376009 178090205 /nfs/dbraw/zinc/09/02/05/178090205.db2.gz BQLFUZPMSIAHHT-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cc1cc(N)c(N)c(Br)c1C ZINC000070461254 178103943 /nfs/dbraw/zinc/10/39/43/178103943.db2.gz FKOBSMCLWHINRX-UHFFFAOYSA-N 0 0 215.094 2.230 50 0 BEAARN CC(=O)SCCSCCSC(C)=O ZINC000071777106 187326615 /nfs/dbraw/zinc/32/66/15/187326615.db2.gz FODBKALQFDWNTR-UHFFFAOYSA-N 0 0 238.399 2.279 50 0 BEAARN Cc1cc(NC(=O)/C=C/c2ccccc2)n(C)n1 ZINC000012443964 178123563 /nfs/dbraw/zinc/12/35/63/178123563.db2.gz LCRZSUDXXSVHRJ-CMDGGOBGSA-N 0 0 241.294 2.380 50 0 BEAARN Cc1cc(NC(=O)CC2CCCCC2)[nH]c(=O)n1 ZINC000097082728 178127224 /nfs/dbraw/zinc/12/72/24/178127224.db2.gz HQZJQYKONDWIDB-UHFFFAOYSA-N 0 0 249.314 2.400 50 0 BEAARN Cc1cc(NC(=O)N2CCCC[C@@H]2C)no1 ZINC000009256223 178135903 /nfs/dbraw/zinc/13/59/03/178135903.db2.gz FLOWQIQLZGNCLP-QMMMGPOBSA-N 0 0 223.276 2.389 50 0 BEAARN Cc1cc(NC(=O)N2CCCC2(C)C)no1 ZINC000072242450 178136665 /nfs/dbraw/zinc/13/66/65/178136665.db2.gz UAAGZQKVCUFDGO-UHFFFAOYSA-N 0 0 223.276 2.389 50 0 BEAARN Cc1cc(NC(=O)N2CCCC[C@H]2C)no1 ZINC000009256224 178137349 /nfs/dbraw/zinc/13/73/49/178137349.db2.gz FLOWQIQLZGNCLP-MRVPVSSYSA-N 0 0 223.276 2.389 50 0 BEAARN Cc1cc(NC(=O)N2CCO[C@H](C)[C@H]2C)ccn1 ZINC000097048796 178137463 /nfs/dbraw/zinc/13/74/63/178137463.db2.gz XONISPZCCCJNSX-GHMZBOCLSA-N 0 0 249.314 2.031 50 0 BEAARN Cc1cc(NC(=O)N[C@H](C)Cc2ccco2)no1 ZINC000027351404 178142058 /nfs/dbraw/zinc/14/20/58/178142058.db2.gz WUUFWCDIAXOVAQ-MRVPVSSYSA-N 0 0 249.270 2.329 50 0 BEAARN CCC(CC)C(=O)Nc1nccc(C)n1 ZINC000000363156 168343058 /nfs/dbraw/zinc/34/30/58/168343058.db2.gz YCSBYZUJPRMFAT-UHFFFAOYSA-N 0 0 207.277 2.160 50 0 BEAARN Cc1cc(NC(=O)c2ccc(Cl)o2)no1 ZINC000021442152 178150581 /nfs/dbraw/zinc/15/05/81/178150581.db2.gz LEPJZJQYHIFXLV-UHFFFAOYSA-N 0 0 226.619 2.482 50 0 BEAARN CC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000074934334 398209979 /nfs/dbraw/zinc/20/99/79/398209979.db2.gz ZFTVTHHBFDMMTO-UHFFFAOYSA-N 0 0 204.151 2.059 50 0 BEAARN Cc1cc(NCCCO)nc2cc(F)ccc12 ZINC000032503459 178159390 /nfs/dbraw/zinc/15/93/90/178159390.db2.gz IALWKMDKUXLGOV-UHFFFAOYSA-N 0 0 234.274 2.477 50 0 BEAARN Cc1cc(NCCc2ncccc2C)nc(C)n1 ZINC000295721621 178163501 /nfs/dbraw/zinc/16/35/01/178163501.db2.gz LBHQROAJKNIXIK-UHFFFAOYSA-N 0 0 242.326 2.451 50 0 BEAARN CC(=O)NC(=S)Nc1cccc(Cl)c1 ZINC000000615316 259300731 /nfs/dbraw/zinc/30/07/31/259300731.db2.gz UAKLUNPOTWVHSS-UHFFFAOYSA-N 0 0 228.704 2.173 50 0 BEAARN Cc1nnc2n1NC/C(=C/c1ccccc1)S2 ZINC000075315220 398220306 /nfs/dbraw/zinc/22/03/06/398220306.db2.gz UHGKHHVILNOXPM-XFFZJAGNSA-N 0 0 244.323 2.277 50 0 BEAARN CC(=O)Nc1ccc(NC(C)(C)CCO)cc1 ZINC000257354947 187330881 /nfs/dbraw/zinc/33/08/81/187330881.db2.gz GLYHKRITLAIWFC-UHFFFAOYSA-N 0 0 236.315 2.218 50 0 BEAARN Cc1cc(N[C@@H](C)c2ccco2)n2ncnc2n1 ZINC000035135149 178180470 /nfs/dbraw/zinc/18/04/70/178180470.db2.gz KDGSBSLRTLEYJY-VIFPVBQESA-N 0 0 243.270 2.199 50 0 BEAARN Cc1cc(Nc2cccc(O)c2)ncn1 ZINC000011731183 178194347 /nfs/dbraw/zinc/19/43/47/178194347.db2.gz XBISUHIBVUHFDE-UHFFFAOYSA-N 0 0 201.229 2.234 50 0 BEAARN Cc1ccc(C)c(CN(C)C(=O)C(C)(C)O)c1 ZINC000258822485 259302762 /nfs/dbraw/zinc/30/27/62/259302762.db2.gz BLUJZPVUMNVKEP-UHFFFAOYSA-N 0 0 235.327 2.033 50 0 BEAARN Cc1cc(OC(=O)c2ccccc2)cc(=O)o1 ZINC000000237857 178206185 /nfs/dbraw/zinc/20/61/85/178206185.db2.gz LVXVOANDRCZMGF-UHFFFAOYSA-N 0 0 230.219 2.167 50 0 BEAARN Cc1cc(Oc2cnccn2)ccc1N ZINC000021955652 178216063 /nfs/dbraw/zinc/21/60/63/178216063.db2.gz CIFRUDXIMWQHRX-UHFFFAOYSA-N 0 0 201.229 2.160 50 0 BEAARN Cc1cc(S(=O)(=O)N2CCCC2)c(C)s1 ZINC000000112068 178217183 /nfs/dbraw/zinc/21/71/83/178217183.db2.gz ZJOSRTAMDOARSK-UHFFFAOYSA-N 0 0 245.369 2.149 50 0 BEAARN CCCCNc1nc(-c2cnon2)cs1 ZINC000170606695 361798814 /nfs/dbraw/zinc/79/88/14/361798814.db2.gz BZWDFFIZCDLRKN-UHFFFAOYSA-N 0 0 224.289 2.405 50 0 BEAARN Cc1cc([C@@H]2CCCN2Cc2nnc(C)o2)on1 ZINC000048275670 178240301 /nfs/dbraw/zinc/24/03/01/178240301.db2.gz RIWBXPROZQXCIW-JTQLQIEISA-N 0 0 248.286 2.012 50 0 BEAARN Ic1ccnc2[nH]ccc21 ZINC000014401041 259305872 /nfs/dbraw/zinc/30/58/72/259305872.db2.gz PCHGYPNRADCIKG-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN C[C@H](C(=O)Nc1cnns1)c1cccs1 ZINC000170603847 361794062 /nfs/dbraw/zinc/79/40/62/361794062.db2.gz HPQRJTIMGPALIE-LURJTMIESA-N 0 0 239.325 2.342 50 0 BEAARN CC(=O)NCCOc1cccc2ccc(C)nc21 ZINC000015974358 259306958 /nfs/dbraw/zinc/30/69/58/259306958.db2.gz FQUXKACRHUHDBX-UHFFFAOYSA-N 0 0 244.294 2.058 50 0 BEAARN Cc1cc([C@H]2CCCN2C(=O)NC(C)C)no1 ZINC000042838975 178266867 /nfs/dbraw/zinc/26/68/67/178266867.db2.gz LQSPTUWTWJUGIJ-LLVKDONJSA-N 0 0 237.303 2.238 50 0 BEAARN Cc1cc([C@H]2CCCN2C(=O)C(C)C)no1 ZINC000044633310 178267655 /nfs/dbraw/zinc/26/76/55/178267655.db2.gz ZLMICPQCLYILQA-LLVKDONJSA-N 0 0 222.288 2.303 50 0 BEAARN Cc1cc2c(Cl)nc3cccnc3n2n1 ZINC000067172724 178278843 /nfs/dbraw/zinc/27/88/43/178278843.db2.gz CYPHIDJVKQQEHJ-UHFFFAOYSA-N 0 0 218.647 2.239 50 0 BEAARN Cc1cc2c(cc1Br)OCO2 ZINC000005765255 178284817 /nfs/dbraw/zinc/28/48/17/178284817.db2.gz COXSGYIDZGDCAR-UHFFFAOYSA-N 0 0 215.046 2.486 50 0 BEAARN Cc1cc2c(cc1C)NC(=O)[C@H](C)CN2 ZINC000004558835 178285051 /nfs/dbraw/zinc/28/50/51/178285051.db2.gz DGWRTJIQODQNBP-SECBINFHSA-N 0 0 204.273 2.304 50 0 BEAARN Cc1cc2c(cc1C)C(=CC(N)=O)NC(C)(C)C2 ZINC000100092861 178285159 /nfs/dbraw/zinc/28/51/59/178285159.db2.gz DXCOCPOTYURGHS-NTUHNPAUSA-N 0 0 244.338 2.054 50 0 BEAARN Cc1cc2c(cc1C(=O)NC(C)C)OCCCO2 ZINC000035511649 178285523 /nfs/dbraw/zinc/28/55/23/178285523.db2.gz LETMJNNGKYBKNW-UHFFFAOYSA-N 0 0 249.310 2.295 50 0 BEAARN O=C(c1c(F)cccc1F)N1CCCC1 ZINC000000035148 398240795 /nfs/dbraw/zinc/24/07/95/398240795.db2.gz WKDBMZQECSVNDS-UHFFFAOYSA-N 0 0 211.211 2.201 50 0 BEAARN Nc1ccc(O)c(C(=O)c2ccccc2)c1 ZINC000059215881 398240880 /nfs/dbraw/zinc/24/08/80/398240880.db2.gz JBESZWSJUKQSDM-UHFFFAOYSA-N 0 0 213.236 2.205 50 0 BEAARN Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](C)N2 ZINC000002537053 178300055 /nfs/dbraw/zinc/30/00/55/178300055.db2.gz GVCUYVSDJYMDMA-CAHLUQPWSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2n(n1)[C@H](C)C[C@H](C(F)F)N2 ZINC000225332022 178300515 /nfs/dbraw/zinc/30/05/15/178300515.db2.gz MTKXADUJQZQLQK-RNFRBKRXSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)(F)F)N2 ZINC000012803926 178300919 /nfs/dbraw/zinc/30/09/19/178300919.db2.gz ZFSVZZUTELKOKO-BQBZGAKWSA-N 0 0 219.210 2.499 50 0 BEAARN Cc1cc2nccc(-c3cccnc3)n2n1 ZINC000000155471 178303044 /nfs/dbraw/zinc/30/30/44/178303044.db2.gz YGXIPHKBMIQOHO-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000065374332 178325379 /nfs/dbraw/zinc/32/53/79/178325379.db2.gz QOIJJWCKCBCCQW-UHFFFAOYSA-N 0 0 247.319 2.461 50 0 BEAARN Cc1cc2oc(=O)cc(CO)c2cc1Cl ZINC000094993342 178306860 /nfs/dbraw/zinc/30/68/60/178306860.db2.gz PNGSBYQDYKJIIG-UHFFFAOYSA-N 0 0 224.643 2.247 50 0 BEAARN Cc1ccc(-c2cc(C(=O)NC3CC3)[nH]n2)s1 ZINC000032795516 178318863 /nfs/dbraw/zinc/31/88/63/178318863.db2.gz ZPDLMOZLDQGPPU-UHFFFAOYSA-N 0 0 247.323 2.339 50 0 BEAARN Cc1ccc(-c2cc(C(=O)N(C)C)[nH]n2)s1 ZINC000032795736 178319292 /nfs/dbraw/zinc/31/92/92/178319292.db2.gz CVJLTNQVCUCUBR-UHFFFAOYSA-N 0 0 235.312 2.148 50 0 BEAARN Cc1ccc(-c2cc3c(=O)[nH]ccn3n2)c(C)c1 ZINC000070459041 178321549 /nfs/dbraw/zinc/32/15/49/178321549.db2.gz DIVQGKHFDYIVQF-UHFFFAOYSA-N 0 0 239.278 2.306 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2CC=CCC2)n1C ZINC000023574241 538944667 /nfs/dbraw/zinc/94/46/67/538944667.db2.gz GQUKOZQOAWLTGR-LBPRGKRZSA-N 0 0 232.327 2.306 50 0 BEAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)N(C)C ZINC000024643114 538946245 /nfs/dbraw/zinc/94/62/45/538946245.db2.gz PFDFCYOBMJYYFE-UHFFFAOYSA-N 0 0 230.311 2.415 50 0 BEAARN Cc1ccc(-c2nnc([C@@H](C)N)o2)cc1 ZINC000011586090 178341280 /nfs/dbraw/zinc/34/12/80/178341280.db2.gz AQKMPBWENKHDTO-MRVPVSSYSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1ccc(-n2cnn(C)c2=S)cc1 ZINC000001403677 178347394 /nfs/dbraw/zinc/34/73/94/178347394.db2.gz MCXQIHVLMGGFBH-UHFFFAOYSA-N 0 0 205.286 2.249 50 0 BEAARN Cc1c(C=O)cnn1-c1ccc(C)cc1 ZINC000048218277 178349229 /nfs/dbraw/zinc/34/92/29/178349229.db2.gz HJQXQNXPJXGLDL-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1ccc(-c2csc(CCNC=O)n2)cc1 ZINC000003768004 178330432 /nfs/dbraw/zinc/33/04/32/178330432.db2.gz AAOSRYRATDRXNQ-UHFFFAOYSA-N 0 0 246.335 2.407 50 0 BEAARN Cc1ccc(-c2csc(CC(N)=O)n2)cc1 ZINC000000793097 178330828 /nfs/dbraw/zinc/33/08/28/178330828.db2.gz JDEGGWYONJJVEJ-UHFFFAOYSA-N 0 0 232.308 2.146 50 0 BEAARN CCOc1cc(=O)oc2cc(OC)ccc12 ZINC000000057833 343997543 /nfs/dbraw/zinc/99/75/43/343997543.db2.gz DXYREIQSILTYNR-UHFFFAOYSA-N 0 0 220.224 2.200 50 0 BEAARN Cc1ccc(=O)n(Cc2cc(F)ccc2C)n1 ZINC000188205536 178361916 /nfs/dbraw/zinc/36/19/16/178361916.db2.gz SZAVFAQNCYPEBY-UHFFFAOYSA-N 0 0 232.258 2.048 50 0 BEAARN Cc1ccc(Br)cc1NC(N)=O ZINC000037368031 178362270 /nfs/dbraw/zinc/36/22/70/178362270.db2.gz XWWYXFYFMSOZKF-UHFFFAOYSA-N 0 0 229.077 2.248 50 0 BEAARN C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1F ZINC000032983368 538951288 /nfs/dbraw/zinc/95/12/88/538951288.db2.gz OCRYRBJMHLRCEV-BXKDBHETSA-N 0 0 237.274 2.182 50 0 BEAARN Cc1ccc(C(=O)N2CCCC[C@H]2C)cn1 ZINC000032903743 178386873 /nfs/dbraw/zinc/38/68/73/178386873.db2.gz XTDNGBXBCQCYLQ-LLVKDONJSA-N 0 0 218.300 2.405 50 0 BEAARN C[C@@]1(c2ccccn2)Nc2ccccc2C(=O)N1 ZINC000032666118 538950307 /nfs/dbraw/zinc/95/03/07/538950307.db2.gz DKVAJKLDHDZPMD-CQSZACIVSA-N 0 0 239.278 2.110 50 0 BEAARN C[C@H](C(=O)N1CCCC1)N1CCc2ccccc21 ZINC000032652090 538950520 /nfs/dbraw/zinc/95/05/20/538950520.db2.gz RJHPGMIJYRABOE-GFCCVEGCSA-N 0 0 244.338 2.060 50 0 BEAARN Cc1ccc(C(=O)CN2CCSC2=O)cc1 ZINC000003887119 178373010 /nfs/dbraw/zinc/37/30/10/178373010.db2.gz WBRZXEUTQCVWSF-UHFFFAOYSA-N 0 0 235.308 2.347 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@H]2CCCO2)c(C)c1 ZINC000032748071 538950601 /nfs/dbraw/zinc/95/06/01/538950601.db2.gz WNGVYASWGAAWEL-CQSZACIVSA-N 0 0 247.338 2.441 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)o1 ZINC000253422908 178389433 /nfs/dbraw/zinc/38/94/33/178389433.db2.gz IHGLBNVHCYSSJF-SNVBAGLBSA-N 0 0 245.282 2.288 50 0 BEAARN O=C1C=CC(=O)N1c1cccc(Cl)c1Cl ZINC000000096633 342674200 /nfs/dbraw/zinc/67/42/00/342674200.db2.gz YSVTWQFPUVGTDE-UHFFFAOYSA-N 0 0 242.061 2.423 50 0 BEAARN Cc1c2cn[nH]c(=O)c2c(C)n1-c1ccccc1 ZINC000000113448 342675097 /nfs/dbraw/zinc/67/50/97/342675097.db2.gz BYHUJWITQRGUOK-UHFFFAOYSA-N 0 0 239.278 2.331 50 0 BEAARN COC(=O)c1nc(-c2ccccc2)oc1N(C)C ZINC000000129922 342675967 /nfs/dbraw/zinc/67/59/67/342675967.db2.gz HTSAXOAXYJMIKF-UHFFFAOYSA-N 0 0 246.266 2.194 50 0 BEAARN COc1c2occc2c(OC)c(C(C)=O)c1O ZINC000000132974 342676417 /nfs/dbraw/zinc/67/64/17/342676417.db2.gz GEUAWNMVARSYHO-UHFFFAOYSA-N 0 0 236.223 2.358 50 0 biogenic BEAARN COC(=O)Nc1cccc(NC(=O)OC)c1F ZINC000000141931 342676757 /nfs/dbraw/zinc/67/67/57/342676757.db2.gz GWGUHKGNGCSCCT-UHFFFAOYSA-N 0 0 242.206 2.182 50 0 BEAARN O=c1c2ccccc2cnn1-c1ccccc1 ZINC000000144110 342677141 /nfs/dbraw/zinc/67/71/41/342677141.db2.gz BCCBXCGRKOKWBZ-UHFFFAOYSA-N 0 0 222.247 2.386 50 0 BEAARN CCCC(=O)Nc1ccc(O)c(C(C)=O)c1 ZINC000000157213 342677920 /nfs/dbraw/zinc/67/79/20/342677920.db2.gz FGWZEOPEZISTTR-UHFFFAOYSA-N 0 0 221.256 2.333 50 0 in-vitro BEAARN [NH3+][C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000000169794 342678970 /nfs/dbraw/zinc/67/89/70/342678970.db2.gz WZXBASRNQXYUIP-MRVPVSSYSA-N 0 0 233.189 2.180 50 0 BEAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1 ZINC000000193225 342679901 /nfs/dbraw/zinc/67/99/01/342679901.db2.gz CFROMVMCCYDNTJ-SECBINFHSA-N 0 0 213.689 2.202 50 0 BEAARN Nc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000189374 342679913 /nfs/dbraw/zinc/67/99/13/342679913.db2.gz GDYFDXDATVPPDR-UHFFFAOYSA-N 0 0 233.292 2.102 50 0 in-vitro BEAARN CC(C)(C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000000200674 342680024 /nfs/dbraw/zinc/68/00/24/342680024.db2.gz IXZYRVDUAHDANC-UHFFFAOYSA-N 0 0 231.299 2.225 50 0 BEAARN Nc1nc2nccc(-c3ccc(Cl)cc3)n2n1 ZINC000000205488 342680071 /nfs/dbraw/zinc/68/00/71/342680071.db2.gz JGAHOXQWNVTLNQ-UHFFFAOYSA-N 0 0 245.673 2.027 50 0 aggregator BEAARN CCCc1ncc([C@@H](O)c2ccccc2)n1C ZINC000000228198 342680549 /nfs/dbraw/zinc/68/05/49/342680549.db2.gz UMKXWQOTKYAUFE-AWEZNQCLSA-N 0 0 230.311 2.454 50 0 BEAARN Nc1ccc(C(=O)Nc2cccc(N)c2)cc1 ZINC000000225990 342680674 /nfs/dbraw/zinc/68/06/74/342680674.db2.gz HWKHQQCBFMYAJZ-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN Fc1ccc(C2=NCCn3cccc32)cc1 ZINC000000227276 342680733 /nfs/dbraw/zinc/68/07/33/342680733.db2.gz SJWVEQLIRZHSAI-UHFFFAOYSA-N 0 0 214.243 2.478 50 0 BEAARN CCc1c(C)c2ccc(O)cc2oc1=O ZINC000000519016 342689193 /nfs/dbraw/zinc/68/91/93/342689193.db2.gz BKZKRVHQFPBHFH-UHFFFAOYSA-N 0 0 204.225 2.369 50 0 biogenic BEAARN C[C@@H](NC(=O)c1ccoc1)c1ccco1 ZINC000036392503 538960232 /nfs/dbraw/zinc/96/02/32/538960232.db2.gz UWTCESBNJAPASR-MRVPVSSYSA-N 0 0 205.213 2.364 50 0 BEAARN Nc1nc2cc3sc(N)nc3cc2s1 ZINC000000262139 342681552 /nfs/dbraw/zinc/68/15/52/342681552.db2.gz ZLPFCTALWYMMQL-UHFFFAOYSA-N 0 0 222.298 2.070 50 0 BEAARN CC[P@@](=O)(c1ccccc1)C(C)(C)O ZINC000000288992 342682374 /nfs/dbraw/zinc/68/23/74/342682374.db2.gz FLJRJXXROFBZNS-CQSZACIVSA-N 0 0 212.229 2.423 50 0 BEAARN CC(C)(C)NS(=O)(=O)c1ccccc1Cl ZINC000000295263 342682494 /nfs/dbraw/zinc/68/24/94/342682494.db2.gz FRUUVCUQPZOFHW-UHFFFAOYSA-N 0 0 247.747 2.417 50 0 BEAARN CC(C)C(=O)NC(=S)Nc1ccc(F)cc1 ZINC000000310833 342683151 /nfs/dbraw/zinc/68/31/51/342683151.db2.gz AWYALKYWLLGHTM-UHFFFAOYSA-N 0 0 240.303 2.295 50 0 BEAARN CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1 ZINC000000325109 342683303 /nfs/dbraw/zinc/68/33/03/342683303.db2.gz SBMBBHZGRABPOQ-UHFFFAOYSA-N 0 0 245.234 2.457 50 0 BEAARN CCOC(=O)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000000332669 342683691 /nfs/dbraw/zinc/68/36/91/342683691.db2.gz LNIFCHLLDTWCIH-NEPJUHHUSA-N 0 0 220.268 2.362 50 0 BEAARN Cn1c(C=O)cnc1Sc1ccccc1 ZINC000000336883 342683903 /nfs/dbraw/zinc/68/39/03/342683903.db2.gz PTEGAEUIMYWPOY-UHFFFAOYSA-N 0 0 218.281 2.384 50 0 BEAARN CN(c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000000348047 342684421 /nfs/dbraw/zinc/68/44/21/342684421.db2.gz YDDYIIYNWUYKQQ-UHFFFAOYSA-N 0 0 202.213 2.468 50 0 BEAARN O=C([O-])[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000000407581 342686958 /nfs/dbraw/zinc/68/69/58/342686958.db2.gz KPNDMTLVNQVGTD-MNOVXSKESA-N 0 0 211.305 2.116 50 0 BEAARN O=C(OC1CCC(=O)CC1)c1ccccc1 ZINC000000407932 342686981 /nfs/dbraw/zinc/68/69/81/342686981.db2.gz VFICJPDIBDJAGL-UHFFFAOYSA-N 0 0 218.252 2.355 50 0 BEAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCCC1 ZINC000000476798 342688408 /nfs/dbraw/zinc/68/84/08/342688408.db2.gz HEEWYPVSIHQSLR-CYBMUJFWSA-N 0 0 233.311 2.466 50 0 BEAARN CCS(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000000482785 342688536 /nfs/dbraw/zinc/68/85/36/342688536.db2.gz IKZQZBNZWRGWTA-UHFFFAOYSA-N 0 0 233.720 2.410 50 0 BEAARN O=C(c1cccnc1)N1CCc2ccccc21 ZINC000000029580 342669967 /nfs/dbraw/zinc/66/99/67/342669967.db2.gz YYKDBWANSKSVMO-UHFFFAOYSA-N 0 0 224.263 2.285 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1ccccc1Cl ZINC000000029253 342669982 /nfs/dbraw/zinc/66/99/82/342669982.db2.gz HOJRGAVTPWHWKA-VIFPVBQESA-N 0 0 239.702 2.249 50 0 BEAARN CCN(CC)C(=O)c1ccc(OC)cc1 ZINC000000029526 342670037 /nfs/dbraw/zinc/67/00/37/342670037.db2.gz HCJXEOFLVIFFDG-UHFFFAOYSA-N 0 0 207.273 2.177 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000000030871 342670334 /nfs/dbraw/zinc/67/03/34/342670334.db2.gz ZBXDUIMIFPKWMB-SECBINFHSA-N 0 0 235.283 2.458 50 0 BEAARN CC(C)(C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000000031740 342670433 /nfs/dbraw/zinc/67/04/33/342670433.db2.gz DCKVVEVMZVRVRK-UHFFFAOYSA-N 0 0 249.310 2.468 50 0 BEAARN CC(C)(C)Nc1nc(Cl)nc(Cl)n1 ZINC000000039598 342671037 /nfs/dbraw/zinc/67/10/37/342671037.db2.gz ASPFUMMXOGOLNI-UHFFFAOYSA-N 0 0 221.091 2.389 50 0 in-vitro BEAARN O=c1cc(C(F)(F)F)c2ccc(O)cc2[nH]1 ZINC000000057275 342672029 /nfs/dbraw/zinc/67/20/29/342672029.db2.gz XAGSNZIBWDMNBS-UHFFFAOYSA-N 0 0 229.157 2.253 50 0 BEAARN CSc1nc(NCc2cccs2)n[nH]1 ZINC000000613462 342690959 /nfs/dbraw/zinc/69/09/59/342690959.db2.gz DSCFVUXWECSQFR-UHFFFAOYSA-N 0 0 226.330 2.200 50 0 BEAARN CC(C)(C)C(=O)N1CCn2c3ccccc3nc21 ZINC000000617840 342691066 /nfs/dbraw/zinc/69/10/66/342691066.db2.gz ILSQAAAMAQJHCY-UHFFFAOYSA-N 0 0 243.310 2.429 50 0 BEAARN C[NH+](C)Cc1cn(CCC(=O)[O-])c2ccccc12 ZINC000000873823 342694065 /nfs/dbraw/zinc/69/40/65/342694065.db2.gz YXYAKJKQODCBDT-UHFFFAOYSA-N 0 0 246.310 2.178 50 0 BEAARN CN(C)c1ccc(C(=O)NC2CCCC2)cc1 ZINC000000994360 342695424 /nfs/dbraw/zinc/69/54/24/342695424.db2.gz FDKJAWHTUGKPEU-UHFFFAOYSA-N 0 0 232.327 2.425 50 0 BEAARN O=C(Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000001017067 342695927 /nfs/dbraw/zinc/69/59/27/342695927.db2.gz REEGUWBJQLYGMM-UHFFFAOYSA-N 0 0 232.191 2.228 50 0 BEAARN Cc1ccc(NC(=O)C(=O)NCCC(C)C)cc1 ZINC000002349851 342718888 /nfs/dbraw/zinc/71/88/88/342718888.db2.gz NHVOXDXUIDJMQO-UHFFFAOYSA-N 0 0 248.326 2.096 50 0 BEAARN Cn1ccc(=O)c2cc(Br)ccc21 ZINC000001227791 342698188 /nfs/dbraw/zinc/69/81/88/342698188.db2.gz MJXZFEIAYVYJQT-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN Cc1ccc(N2C(=O)CSC2=O)cc1 ZINC000001383195 342699391 /nfs/dbraw/zinc/69/93/91/342699391.db2.gz ICKHEFLHFUVLBO-UHFFFAOYSA-N 0 0 207.254 2.195 50 0 BEAARN CCc1nc(CNC(=O)C2CCC2)cs1 ZINC000071886507 342699925 /nfs/dbraw/zinc/69/99/25/342699925.db2.gz PCWDRXUXBPPFJC-UHFFFAOYSA-N 0 0 224.329 2.122 50 0 BEAARN Nc1nc(Nc2ccccc2)nc(C2CC2)n1 ZINC000001440304 342701252 /nfs/dbraw/zinc/70/12/52/342701252.db2.gz PZQQEPLWWLIGNU-UHFFFAOYSA-N 0 0 227.271 2.075 50 0 BEAARN CCCCCN1C(=O)c2ccccc2C1=O ZINC000001599130 342705141 /nfs/dbraw/zinc/70/51/41/342705141.db2.gz SRFRJCMUBGZTAP-UHFFFAOYSA-N 0 0 217.268 2.473 50 0 BEAARN CCCCC(CCCC)(C(N)=O)C(=O)OCC ZINC000001655607 342707191 /nfs/dbraw/zinc/70/71/91/342707191.db2.gz FMILPAHYEMMAEG-UHFFFAOYSA-N 0 0 243.347 2.402 50 0 BEAARN COC(=O)c1ncc(Cl)cc1Cl ZINC000001655492 342707285 /nfs/dbraw/zinc/70/72/85/342707285.db2.gz SBQBPKUDXAELAZ-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000001700243 342709967 /nfs/dbraw/zinc/70/99/67/342709967.db2.gz YQXWHPSJAYLYED-UHFFFAOYSA-N 0 0 241.699 2.141 50 0 BEAARN O=C(c1ccco1)[C@@H](O)c1ccccc1 ZINC000001710771 342710603 /nfs/dbraw/zinc/71/06/03/342710603.db2.gz OAQXMQGZCPHDDV-NSHDSACASA-N 0 0 202.209 2.196 50 0 BEAARN CC(=O)CC(=O)NC(C)(C)CC(C)(C)C ZINC000001736735 342711898 /nfs/dbraw/zinc/71/18/98/342711898.db2.gz ROXIBSLHIBBFKK-UHFFFAOYSA-N 0 0 213.321 2.297 50 0 BEAARN Cc1ccc(N[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000001776345 342712516 /nfs/dbraw/zinc/71/25/16/342712516.db2.gz HJXYTODHBGFIKK-GFCCVEGCSA-N 0 0 237.324 2.026 50 0 BEAARN Cn1cncc1C(=O)NC[C@H]1CC12CCCCC2 ZINC000584902340 342713901 /nfs/dbraw/zinc/71/39/01/342713901.db2.gz WGOCVXYPAZMNRN-LLVKDONJSA-N 0 0 247.342 2.120 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000002387370 342719690 /nfs/dbraw/zinc/71/96/90/342719690.db2.gz GQKLESLYMHWBOP-SSDOTTSWSA-N 0 0 234.082 2.468 50 0 BEAARN COC(=O)[C@@H](Cc1ccccc1)N[C@H](C)C(C)C ZINC000002027719 342714737 /nfs/dbraw/zinc/71/47/37/342714737.db2.gz WREZKYXHHHBGNI-TZMCWYRMSA-N 0 0 249.354 2.405 50 0 BEAARN CC(C)(C)OC(=O)NCCCCCCO ZINC000002386880 342719823 /nfs/dbraw/zinc/71/98/23/342719823.db2.gz BDLPJHZUTLGFON-UHFFFAOYSA-N 0 0 217.309 2.064 50 0 in-vitro BEAARN CN(Cc1ccccc1)C(=O)c1cccnc1 ZINC000000235914 398277734 /nfs/dbraw/zinc/27/77/34/398277734.db2.gz CIQZNUQRKFTMAE-UHFFFAOYSA-N 0 0 226.279 2.354 50 0 BEAARN [NH3+][C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000002244337 342717466 /nfs/dbraw/zinc/71/74/66/342717466.db2.gz JCZLABDVDPYLRZ-AWEZNQCLSA-N 0 0 241.290 2.308 50 0 in-vivo BEAARN CCOc1cccc(-c2cc(=O)[nH][nH]2)c1 ZINC000004036889 342741466 /nfs/dbraw/zinc/74/14/66/342741466.db2.gz DAMLLBOPRSKKLY-UHFFFAOYSA-N 0 0 204.229 2.181 50 0 BEAARN CSc1nnc(NC(=O)C(C)(C)C)s1 ZINC000004086571 342742059 /nfs/dbraw/zinc/74/20/59/342742059.db2.gz VWQBMXAUJSGRHK-UHFFFAOYSA-N 0 0 231.346 2.245 50 0 BEAARN CC(C)(C)N[S@@](=O)c1ccsc1 ZINC000004668714 342750267 /nfs/dbraw/zinc/75/02/67/342750267.db2.gz QYVFYBIJYDHNMQ-GFCCVEGCSA-N 0 0 203.332 2.159 50 0 BEAARN Cc1cc(-c2ccccc2)nc2cc(=O)[nH]n21 ZINC000004218685 342744491 /nfs/dbraw/zinc/74/44/91/342744491.db2.gz YHPLVWUWPHQOAW-UHFFFAOYSA-N 0 0 225.251 2.410 50 0 BEAARN Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000004245371 342745281 /nfs/dbraw/zinc/74/52/81/342745281.db2.gz OOOXUISFYMTSJI-UHFFFAOYSA-N 0 0 218.300 2.285 50 0 BEAARN O=C([O-])[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000004343310 342746876 /nfs/dbraw/zinc/74/68/76/342746876.db2.gz BDXDRVVZESQZHR-ZDUSSCGKSA-N 0 0 233.311 2.026 50 0 BEAARN Cc1cc(C)n(-c2cccc(C=O)c2)n1 ZINC000004384305 342747329 /nfs/dbraw/zinc/74/73/29/342747329.db2.gz UAFUKSXYBLMCCQ-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000004384280 342747466 /nfs/dbraw/zinc/74/74/66/342747466.db2.gz AFFQKOXRJTVUEF-LLVKDONJSA-N 0 0 239.702 2.389 50 0 BEAARN NN=c1[nH]c2ccc(Br)cc2s1 ZINC000002455661 342721076 /nfs/dbraw/zinc/72/10/76/342721076.db2.gz YWLCJGPJVPUESW-UHFFFAOYSA-N 0 0 244.117 2.344 50 0 BEAARN Nc1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000002526612 342722661 /nfs/dbraw/zinc/72/26/61/342722661.db2.gz MQUXWDKURXLJBT-UHFFFAOYSA-N 0 0 237.209 2.327 50 0 BEAARN O=C(OCc1ccccc1)N1CCCC[C@H]1CO ZINC000002527183 342722665 /nfs/dbraw/zinc/72/26/65/342722665.db2.gz UDGDHNGWPNSYCD-ZDUSSCGKSA-N 0 0 249.310 2.170 50 0 BEAARN COc1cc(C(C)=O)ccc1OC(F)F ZINC000002533928 342723159 /nfs/dbraw/zinc/72/31/59/342723159.db2.gz FWNOLCFYMAUUON-UHFFFAOYSA-N 0 0 216.183 2.499 50 0 BEAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000002541596 342723610 /nfs/dbraw/zinc/72/36/10/342723610.db2.gz MAONMXZZIKVZBB-UWVGGRQHSA-N 0 0 229.320 2.062 50 0 BEAARN Cc1cc(Br)cc(C=O)c1O ZINC000002571718 342725039 /nfs/dbraw/zinc/72/50/39/342725039.db2.gz PZGFSVYPDAQKHJ-UHFFFAOYSA-N 0 0 215.046 2.276 50 0 BEAARN Cc1nc(Br)[nH]c1Br ZINC000002577852 342725260 /nfs/dbraw/zinc/72/52/60/342725260.db2.gz RWHYUTSGEJYTMQ-UHFFFAOYSA-N 0 0 239.898 2.243 50 0 BEAARN O=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000002598112 342726063 /nfs/dbraw/zinc/72/60/63/342726063.db2.gz RLCBASWXFBEVKY-UHFFFAOYSA-N 0 0 221.275 2.033 50 0 BEAARN CCOc1ccccc1NC(=O)[C@H]1CCCO1 ZINC000002748055 342726999 /nfs/dbraw/zinc/72/69/99/342726999.db2.gz JNMGCEHRYHZUCP-GFCCVEGCSA-N 0 0 235.283 2.203 50 0 BEAARN COC[C@H](C)NC(=O)CCCc1ccccc1 ZINC000002743490 342727036 /nfs/dbraw/zinc/72/70/36/342727036.db2.gz WZINZOJFVYKVGZ-LBPRGKRZSA-N 0 0 235.327 2.160 50 0 BEAARN CCCC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000003016624 342729758 /nfs/dbraw/zinc/72/97/58/342729758.db2.gz XBPFZMNPNRWKLV-UHFFFAOYSA-N 0 0 239.222 2.296 50 0 BEAARN Cn1ccnc1C(=O)c1ccccc1Cl ZINC000003104140 342730401 /nfs/dbraw/zinc/73/04/01/342730401.db2.gz XUOHNXMVWFHIDF-UHFFFAOYSA-N 0 0 220.659 2.305 50 0 BEAARN O=[P@]1(Oc2ccccc2)NCCCO1 ZINC000003105881 342730405 /nfs/dbraw/zinc/73/04/05/342730405.db2.gz YZJWXUWNAHCIOB-CQSZACIVSA-N 0 0 213.173 2.183 50 0 BEAARN COC(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000003132339 342730769 /nfs/dbraw/zinc/73/07/69/342730769.db2.gz FZIZKCLZDZFXCI-UHFFFAOYSA-N 0 0 236.267 2.221 50 0 BEAARN OCCc1ccc(OCC(F)(F)F)cc1 ZINC000034744761 342731556 /nfs/dbraw/zinc/73/15/56/342731556.db2.gz QZKVHBYLYHOFOF-UHFFFAOYSA-N 0 0 220.190 2.163 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000003382576 342732969 /nfs/dbraw/zinc/73/29/69/342732969.db2.gz SATTYGCLXDRHGG-LLVKDONJSA-N 0 0 205.257 2.113 50 0 BEAARN C[C@@]1(C(=O)NCc2ccco2)CC1(Cl)Cl ZINC000003613356 342735093 /nfs/dbraw/zinc/73/50/93/342735093.db2.gz UXQNIFRJOXYDEG-VIFPVBQESA-N 0 0 248.109 2.480 50 0 BEAARN CCCCCOc1ccc([C@@H]([NH3+])C(=O)[O-])cc1 ZINC000003676962 342736341 /nfs/dbraw/zinc/73/63/41/342736341.db2.gz FSQMLVRYEBEDNM-GFCCVEGCSA-N 0 0 237.299 2.340 50 0 BEAARN Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000003723277 342737189 /nfs/dbraw/zinc/73/71/89/342737189.db2.gz KFQHVPAQPKJTHF-UHFFFAOYSA-N 0 0 228.177 2.073 50 0 BEAARN O=C([O-])[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000003749317 342737466 /nfs/dbraw/zinc/73/74/66/342737466.db2.gz KOXCBDNTCRUQDS-NSHDSACASA-N 0 0 237.274 2.122 50 0 BEAARN Cc1ccc(NCN2C(=O)CSC2=O)cc1 ZINC000003880748 342738718 /nfs/dbraw/zinc/73/87/18/342738718.db2.gz VNLBQPDSCBGHGH-UHFFFAOYSA-N 0 0 236.296 2.060 50 0 BEAARN C[C@@]1(C(=O)Nc2ccc(Cl)cc2)CO1 ZINC000003913035 342739604 /nfs/dbraw/zinc/73/96/04/342739604.db2.gz OMCHEYSSFBCQBT-JTQLQIEISA-N 0 0 211.648 2.067 50 0 BEAARN Cc1nnsc1[S@](=O)c1ccc(C)cc1 ZINC000004001978 342740424 /nfs/dbraw/zinc/74/04/24/342740424.db2.gz PJIRHTANIRAFGX-HNNXBMFYSA-N 0 0 238.337 2.322 50 0 BEAARN O=C(NC(=O)c1ccccc1)Nc1ccccn1 ZINC000004838644 342753016 /nfs/dbraw/zinc/75/30/16/342753016.db2.gz PVKGCZZLXAMCRZ-UHFFFAOYSA-N 0 0 241.250 2.044 50 0 BEAARN CNC(=O)c1ccc(OCC(C)C)cc1 ZINC000004869024 342753523 /nfs/dbraw/zinc/75/35/23/342753523.db2.gz JSHPORODYHUIKY-UHFFFAOYSA-N 0 0 207.273 2.081 50 0 BEAARN O=C1NC2(CCCC2)N=C1c1ccc(F)cc1 ZINC000004890623 342753950 /nfs/dbraw/zinc/75/39/50/342753950.db2.gz HYCTVWCVHAOSDW-UHFFFAOYSA-N 0 0 232.258 2.015 50 0 BEAARN CCC(CC)NC(=O)c1cccc2c[nH]nc21 ZINC000065401444 168385836 /nfs/dbraw/zinc/38/58/36/168385836.db2.gz WRQDBUVQSQRBBP-UHFFFAOYSA-N 0 0 231.299 2.481 50 0 BEAARN [NH3+][C@@H](CCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004958052 342755003 /nfs/dbraw/zinc/75/50/03/342755003.db2.gz DDXURTFOYAJBFN-UYIBLKNYSA-N 0 0 237.343 2.395 50 0 BEAARN Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000004992573 342755994 /nfs/dbraw/zinc/75/59/94/342755994.db2.gz QNDNSJKGUGRQDK-UHFFFAOYSA-N 0 0 234.280 2.164 50 0 BEAARN CC(C)(C)C1=NO[C@]2(O)c3ccccc3C(=O)[C@H]12 ZINC000005187160 342759872 /nfs/dbraw/zinc/75/98/72/342759872.db2.gz VTXNKJCYWOJRGL-QMTHXVAHSA-N 0 0 245.278 2.077 50 0 BEAARN CN(C)c1ncnc2c3ccccc3oc21 ZINC000005278272 342761215 /nfs/dbraw/zinc/76/12/15/342761215.db2.gz GEAGCTJREBYSDS-UHFFFAOYSA-N 0 0 213.240 2.442 50 0 BEAARN Cc1cc(C(=O)NCc2ccccc2F)on1 ZINC000005405488 342763354 /nfs/dbraw/zinc/76/33/54/342763354.db2.gz FKQNXPHJMAZKQN-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN O=C(c1ccco1)[C@H](O)c1ccccc1 ZINC000005489024 342764764 /nfs/dbraw/zinc/76/47/64/342764764.db2.gz OAQXMQGZCPHDDV-LLVKDONJSA-N 0 0 202.209 2.196 50 0 BEAARN COC(=O)[C@@H](NC(=O)C(C)(C)C)c1ccccc1 ZINC000005495964 342764781 /nfs/dbraw/zinc/76/47/81/342764781.db2.gz VEFCLBBOUMFNEI-NSHDSACASA-N 0 0 249.310 2.063 50 0 BEAARN CCN(CC)C(=O)C(Cl)(Cl)Cl ZINC000005714920 342768702 /nfs/dbraw/zinc/76/87/02/342768702.db2.gz OIWFZENWZGPLQZ-UHFFFAOYSA-N 0 0 218.511 2.225 50 0 BEAARN CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO ZINC000005922359 342771654 /nfs/dbraw/zinc/77/16/54/342771654.db2.gz QLHULAHOXSSASE-MNOVXSKESA-N 0 0 229.320 2.158 50 0 in-man BEAARN CCOc1ccc(Cc2n[nH]c(=S)n2C)cc1 ZINC000006499624 342778530 /nfs/dbraw/zinc/77/85/30/342778530.db2.gz UBOFGUPHHLEWJX-UHFFFAOYSA-N 0 0 249.339 2.467 50 0 BEAARN Cc1[nH]c(=S)n(C[C@@H]2CCCO2)c1C ZINC000006498437 342778546 /nfs/dbraw/zinc/77/85/46/342778546.db2.gz FZABHEWHHBCRSU-VIFPVBQESA-N 0 0 212.318 2.342 50 0 BEAARN CCCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000006263810 342775755 /nfs/dbraw/zinc/77/57/55/342775755.db2.gz VRHOVHQRVISKAF-JTQLQIEISA-N 0 0 249.310 2.435 50 0 BEAARN O=[S@](NC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004689883 342750635 /nfs/dbraw/zinc/75/06/35/342750635.db2.gz AHRKAXMVRAVRGC-VUIUJGOLSA-N 0 0 239.384 2.371 50 0 BEAARN CCOC(=O)c1cc(C)nn1C(C)(C)C ZINC000002575180 342787405 /nfs/dbraw/zinc/78/74/05/342787405.db2.gz KTNRGKIYKQZOOM-UHFFFAOYSA-N 0 0 210.277 2.123 50 0 BEAARN COC(=O)CCC(=O)Nc1c(C)cccc1C ZINC000000408455 342788331 /nfs/dbraw/zinc/78/83/31/342788331.db2.gz QGYCEBWIFKRSEE-UHFFFAOYSA-N 0 0 235.283 2.195 50 0 BEAARN Cc1ccc(C(=O)Nc2ncccn2)cc1 ZINC000003212887 178439185 /nfs/dbraw/zinc/43/91/85/178439185.db2.gz GMSNSHDPNFPILW-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1ccc(C(=O)Nc2nccc(C)n2)cc1 ZINC000000363157 178439565 /nfs/dbraw/zinc/43/95/65/178439565.db2.gz YYOAHVQQVGFENU-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN Cc1ccc(F)cc1NC(=O)[C@@H]1CCCO1 ZINC000007970673 342795086 /nfs/dbraw/zinc/79/50/86/342795086.db2.gz UUUCHUKDHBEFOS-NSHDSACASA-N 0 0 223.247 2.252 50 0 BEAARN CC[C@@H](Oc1ccccc1OC)C(=O)NC1CC1 ZINC000008040734 342795789 /nfs/dbraw/zinc/79/57/89/342795789.db2.gz NUHGOLCTUVTMDN-LLVKDONJSA-N 0 0 249.310 2.131 50 0 BEAARN CO[C@@H](CNC(=O)C1CCC1)c1ccccc1 ZINC000043518557 342796436 /nfs/dbraw/zinc/79/64/36/342796436.db2.gz MEUGKQAPLCMSSI-ZDUSSCGKSA-N 0 0 233.311 2.290 50 0 BEAARN CC[C@@H](NS(C)(=O)=O)c1cccc(Cl)c1 ZINC000040523853 538971791 /nfs/dbraw/zinc/97/17/91/538971791.db2.gz VEWSYCAVTMCBOH-SNVBAGLBSA-N 0 0 247.747 2.340 50 0 BEAARN Cc1ccc(F)cc1-c1nnc(N)s1 ZINC000008726716 342803376 /nfs/dbraw/zinc/80/33/76/342803376.db2.gz FAIIMRSQQQMHPR-UHFFFAOYSA-N 0 0 209.249 2.235 50 0 BEAARN Cc1ccc(C(=O)OC2CSC2)cc1 ZINC000000132489 178442299 /nfs/dbraw/zinc/44/22/99/178442299.db2.gz GPIFGYPUMOXIFW-UHFFFAOYSA-N 0 0 208.282 2.267 50 0 BEAARN CCC(CC)S(=O)(=O)Cc1ccccn1 ZINC000097212246 168395079 /nfs/dbraw/zinc/39/50/79/168395079.db2.gz VWEXMVYVSGXTFP-UHFFFAOYSA-N 0 0 227.329 2.185 50 0 BEAARN Cc1cc(=O)n(-c2ccc(C)c(C)c2)[nH]1 ZINC000009530926 342820568 /nfs/dbraw/zinc/82/05/68/342820568.db2.gz HBWBJCSXUJIDGN-UHFFFAOYSA-N 0 0 202.257 2.091 50 0 BEAARN CCc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008740355 342804030 /nfs/dbraw/zinc/80/40/30/342804030.db2.gz WEJBGCJOPKKZQT-UHFFFAOYSA-N 0 0 217.268 2.408 50 0 biogenic BEAARN Fc1ccc(-c2cc(-c3nnco3)n[nH]2)cc1 ZINC000008740997 342804139 /nfs/dbraw/zinc/80/41/39/342804139.db2.gz GDTRAZUXRGCZAE-UHFFFAOYSA-N 0 0 230.202 2.266 50 0 BEAARN CC(C)Cn1c2ccccc2nc1CCO ZINC000008786053 342804798 /nfs/dbraw/zinc/80/47/98/342804798.db2.gz NWTAWWVIRFORLI-UHFFFAOYSA-N 0 0 218.300 2.227 50 0 BEAARN C[C@H](C(=O)NCCc1ccccc1)n1cccc1 ZINC000008904910 342805783 /nfs/dbraw/zinc/80/57/83/342805783.db2.gz RHHZUASBPNMYIN-CYBMUJFWSA-N 0 0 242.322 2.408 50 0 BEAARN Cc1cc(C(=O)NC2CCC(C)CC2)on1 ZINC000044874906 538990200 /nfs/dbraw/zinc/99/02/00/538990200.db2.gz TZLXIELYCYSGIY-UHFFFAOYSA-N 0 0 222.288 2.292 50 0 BEAARN O=C1CCCN1Cc1nc(C2CCCCC2)no1 ZINC000072329935 398295588 /nfs/dbraw/zinc/29/55/88/398295588.db2.gz KGRNCCPQUNGGOZ-UHFFFAOYSA-N 0 0 249.314 2.240 50 0 BEAARN Cn1ccnc1[C@H](N)c1cccc(Cl)c1 ZINC000011735200 342843104 /nfs/dbraw/zinc/84/31/04/342843104.db2.gz JEEXKQBWDDVXNT-SNVBAGLBSA-N 0 0 221.691 2.122 50 0 BEAARN O=C(n1ccnc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000065553050 539027775 /nfs/dbraw/zinc/02/77/75/539027775.db2.gz MEIKWCXMZCLBHN-NWDGAFQWSA-N 0 0 233.315 2.363 50 0 BEAARN CN1CCN(C(=O)C2CC2)c2ccc(F)cc21 ZINC000089382855 398297392 /nfs/dbraw/zinc/29/73/92/398297392.db2.gz WEZKKNMMRMMEAJ-UHFFFAOYSA-N 0 0 234.274 2.019 50 0 BEAARN O=c1[nH]c2ccccc2nc1C(F)(F)C(F)F ZINC000008772843 342841643 /nfs/dbraw/zinc/84/16/43/342841643.db2.gz CFXNTCIWOMBDSP-UHFFFAOYSA-N 0 0 246.163 2.280 50 0 BEAARN CC[C@@H](C)[C@H](C)Nc1ncnc2c1cnn2C ZINC000042417216 361998616 /nfs/dbraw/zinc/99/86/16/361998616.db2.gz VRGQQBLIBHVYMT-BDAKNGLRSA-N 0 0 233.319 2.210 50 0 BEAARN CCc1c(C)n(C)c2nc3ccccc3n2c1=O ZINC000012323637 342848877 /nfs/dbraw/zinc/84/88/77/342848877.db2.gz VFLNKQWRJWCLQQ-UHFFFAOYSA-N 0 0 241.294 2.057 50 0 BEAARN CC1(C)C[C@@H](c2csc(N)n2)CCO1 ZINC000012341282 342849202 /nfs/dbraw/zinc/84/92/02/342849202.db2.gz OMPHQJYCFNDVJT-ZETCQYMHSA-N 0 0 212.318 2.398 50 0 BEAARN O=c1cc(C(F)F)c2c([nH]1)onc2C1CC1 ZINC000012398517 342851358 /nfs/dbraw/zinc/85/13/58/342851358.db2.gz XEQGOMYILYGVAG-UHFFFAOYSA-N 0 0 226.182 2.331 50 0 BEAARN Cc1cc(=O)[nH]c2c1cnn2[C@@H](C)C1CC1 ZINC000012505319 342852774 /nfs/dbraw/zinc/85/27/74/342852774.db2.gz CQPZGBQVMVGDQG-QMMMGPOBSA-N 0 0 217.272 2.004 50 0 BEAARN CCN(CC)C(=O)c1n[nH]c2ccccc21 ZINC000012525534 342853598 /nfs/dbraw/zinc/85/35/98/342853598.db2.gz CFASWLWXVQNNOX-UHFFFAOYSA-N 0 0 217.272 2.045 50 0 BEAARN CCOc1ccc(-c2nonc2N)cc1OCC ZINC000004344116 342854636 /nfs/dbraw/zinc/85/46/36/342854636.db2.gz RRTHKXJUGMWTBQ-UHFFFAOYSA-N 0 0 249.270 2.116 50 0 BEAARN CCOc1ccc(-n2nnc(C(C)=O)c2C)cc1 ZINC000011888207 342844141 /nfs/dbraw/zinc/84/41/41/342844141.db2.gz UUBZAOPSMZNRHT-UHFFFAOYSA-N 0 0 245.282 2.177 50 0 BEAARN Cc1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1 ZINC000013113931 342863832 /nfs/dbraw/zinc/86/38/32/342863832.db2.gz MQNMXTIYBFYKRL-UHFFFAOYSA-N 0 0 235.674 2.475 50 0 BEAARN Cc1ccc(Nc2nc(O)cs2)cc1C ZINC000013424416 342866610 /nfs/dbraw/zinc/86/66/10/342866610.db2.gz ALSAFJRACCALQB-UHFFFAOYSA-N 0 0 220.297 2.345 50 0 BEAARN CC(C)N1C(=S)N=NC1c1ccncc1 ZINC000013496760 342867252 /nfs/dbraw/zinc/86/72/52/342867252.db2.gz JCEBCTLZJBGPKG-UHFFFAOYSA-N 0 0 220.301 2.210 50 0 BEAARN CCOc1cccc(C(=O)Nc2ccon2)c1 ZINC000013745746 342871210 /nfs/dbraw/zinc/87/12/10/342871210.db2.gz YHTGFQNMNOYFJL-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN CCOc1ccccc1C(=O)Nc1ccon1 ZINC000013745748 342871231 /nfs/dbraw/zinc/87/12/31/342871231.db2.gz WVOPFUALKHQARI-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(OC)c(F)c1 ZINC000032736081 342871891 /nfs/dbraw/zinc/87/18/91/342871891.db2.gz AXJARJJOWAEKRD-MRVPVSSYSA-N 0 0 225.263 2.363 50 0 BEAARN C[C@H](CO)Nc1ncnc2c3ccccc3oc21 ZINC000032809701 342878267 /nfs/dbraw/zinc/87/82/67/342878267.db2.gz YDRQWQWOOYKRQR-MRVPVSSYSA-N 0 0 243.266 2.169 50 0 BEAARN CCOc1ccccc1/C=C/C(=O)NC1CC1 ZINC000008034946 342893782 /nfs/dbraw/zinc/89/37/82/342893782.db2.gz LVBBOOZIUFWKEL-JXMROGBWSA-N 0 0 231.295 2.377 50 0 BEAARN Cc1ccc(OCCc2nnc(N)s2)c(C)c1 ZINC000015416680 342896032 /nfs/dbraw/zinc/89/60/32/342896032.db2.gz WLZCVSUCUMRJHU-UHFFFAOYSA-N 0 0 249.339 2.359 50 0 BEAARN Cn1cc2cc(Br)ccc2n1 ZINC000015444590 342896514 /nfs/dbraw/zinc/89/65/14/342896514.db2.gz QFZOHVHNTZTZMJ-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN O=C(C1CCCCCC1)N1CCSC1 ZINC000096405889 398317566 /nfs/dbraw/zinc/31/75/66/398317566.db2.gz RRSCNNFITACCPP-UHFFFAOYSA-N 0 0 213.346 2.490 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccc(C)n1C ZINC000096405878 398317585 /nfs/dbraw/zinc/31/75/85/398317585.db2.gz DGJUTURKLSDXPX-UXBLZVDNSA-N 0 0 220.316 2.306 50 0 BEAARN CC(=O)c1c(C)nc(C2CC2)[nH]c1=S ZINC000015480604 342896872 /nfs/dbraw/zinc/89/68/72/342896872.db2.gz PUSRIXQYPUPNCA-UHFFFAOYSA-N 0 0 208.286 2.154 50 0 BEAARN COC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000015516972 342897493 /nfs/dbraw/zinc/89/74/93/342897493.db2.gz QFWRLHFDXCXQLD-UHFFFAOYSA-N 0 0 242.278 2.148 50 0 BEAARN CC(C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000015554525 342897954 /nfs/dbraw/zinc/89/79/54/342897954.db2.gz NAOLHRIHJPKZAN-NSHDSACASA-N 0 0 239.702 2.168 50 0 BEAARN Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000014629343 342882852 /nfs/dbraw/zinc/88/28/52/342882852.db2.gz MTGVVZQHFZESMO-SECBINFHSA-N 0 0 227.691 2.480 50 0 BEAARN Nc1ccc(OC[C@@H]2CCCO2)c(Cl)c1 ZINC000014630016 342883075 /nfs/dbraw/zinc/88/30/75/342883075.db2.gz BXBUDXWNITUWFO-VIFPVBQESA-N 0 0 227.691 2.480 50 0 BEAARN O=C1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000003161545 346870145 /nfs/dbraw/zinc/87/01/45/346870145.db2.gz YQBZNNFVXOBDSJ-DGCLKSJQSA-N 0 0 204.269 2.479 50 0 BEAARN CCCCCNC(=O)c1ccc2nccn2c1 ZINC000057757230 398320973 /nfs/dbraw/zinc/32/09/73/398320973.db2.gz ZWSOIBJWCNIFKD-UHFFFAOYSA-N 0 0 231.299 2.254 50 0 BEAARN Cc1cnc(NC(=O)c2ccccc2O)s1 ZINC000014707206 342884751 /nfs/dbraw/zinc/88/47/51/342884751.db2.gz YLTAAMUGGIYNJU-UHFFFAOYSA-N 0 0 234.280 2.409 50 0 BEAARN Fc1ccc2c(Br)n[nH]c2c1 ZINC000014983474 342890122 /nfs/dbraw/zinc/89/01/22/342890122.db2.gz HXIMDHPWCHNHMM-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN COCc1cccc(C(=O)Nc2cccnc2)c1 ZINC000015096936 342891893 /nfs/dbraw/zinc/89/18/93/342891893.db2.gz WYECYPPPKMUZLD-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1F ZINC000016046586 342905370 /nfs/dbraw/zinc/90/53/70/342905370.db2.gz ADSMXQJAJCJUHI-UHFFFAOYSA-N 0 0 246.241 2.075 50 0 BEAARN N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000016082908 342905958 /nfs/dbraw/zinc/90/59/58/342905958.db2.gz VOAOYMFECOMDMY-AWEZNQCLSA-N 0 0 238.290 2.233 50 0 BEAARN CC[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C ZINC000016125335 342906462 /nfs/dbraw/zinc/90/64/62/342906462.db2.gz GJZHXLNQQNAXNW-VIFPVBQESA-N 0 0 227.304 2.365 50 0 BEAARN O=C(Oc1ccc(Cl)cc1)c1cnsn1 ZINC000016294408 342908876 /nfs/dbraw/zinc/90/88/76/342908876.db2.gz VDPPOOZSIBPPTR-UHFFFAOYSA-N 0 0 240.671 2.411 50 0 BEAARN CC(C)(C)NC(=O)c1cc(F)cc(F)c1 ZINC000016322879 342909571 /nfs/dbraw/zinc/90/95/71/342909571.db2.gz DMUAFQMJMLKILK-UHFFFAOYSA-N 0 0 213.227 2.493 50 0 BEAARN Cc1cc(=O)[nH]c2c1c(-c1ccccc1)nn2C ZINC000015919743 342902936 /nfs/dbraw/zinc/90/29/36/342902936.db2.gz CKPRIGVIXZWNSN-UHFFFAOYSA-N 0 0 239.278 2.237 50 0 BEAARN O=c1[nH]c2ccccc2cc1Br ZINC000017422457 342924886 /nfs/dbraw/zinc/92/48/86/342924886.db2.gz AGARPHPERRYPRP-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000016941766 342917484 /nfs/dbraw/zinc/91/74/84/342917484.db2.gz BHBYJGVZNPIAMY-CYBMUJFWSA-N 0 0 233.311 2.292 50 0 BEAARN CN(Cc1ccco1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000031459335 398326389 /nfs/dbraw/zinc/32/63/89/398326389.db2.gz DOOZQMIENMDXOC-UHFFFAOYSA-N 0 0 245.282 2.152 50 0 BEAARN CC[C@@H](C)NC(=O)c1cccc(OC)c1OC ZINC000000496426 346881043 /nfs/dbraw/zinc/88/10/43/346881043.db2.gz IGPIGTFEMKOINB-SECBINFHSA-N 0 0 237.299 2.232 50 0 BEAARN C[C@@H](NC(=O)CCn1cccn1)c1cccs1 ZINC000040480938 398330047 /nfs/dbraw/zinc/33/00/47/398330047.db2.gz GFFHZJFKOUWDAR-SNVBAGLBSA-N 0 0 249.339 2.212 50 0 BEAARN CC(=O)Nc1ccc2nc(C=O)ccc2c1 ZINC000019087762 342941409 /nfs/dbraw/zinc/94/14/09/342941409.db2.gz GKQGSRDYZYMTCE-UHFFFAOYSA-N 0 0 214.224 2.006 50 0 BEAARN Nc1ccc(N2CCCC2)c2ncccc12 ZINC000019093217 342941748 /nfs/dbraw/zinc/94/17/48/342941748.db2.gz WHHMOMFLWJSKHM-UHFFFAOYSA-N 0 0 213.284 2.417 50 0 BEAARN CC(C)C(=O)Nc1ccc(Br)cn1 ZINC000019093855 342941749 /nfs/dbraw/zinc/94/17/49/342941749.db2.gz REPAKPGWFIZPIY-UHFFFAOYSA-N 0 0 243.104 2.439 50 0 BEAARN CSc1ccc(CNc2nc(C)nn2C)cc1 ZINC000097094817 344014703 /nfs/dbraw/zinc/01/47/03/344014703.db2.gz VDKSADCDJMYQFI-UHFFFAOYSA-N 0 0 248.355 2.458 50 0 BEAARN Cc1ccc(CS[C@H]2NC[C@H](C)N2)cc1C ZINC000019324358 342945442 /nfs/dbraw/zinc/94/54/42/342945442.db2.gz KNDMIDHJXJKVOC-AAEUAGOBSA-N 0 0 236.384 2.402 50 0 BEAARN Cc1ccc(CS[C@@H]2NC[C@H](C)N2)cc1C ZINC000019324361 342945580 /nfs/dbraw/zinc/94/55/80/342945580.db2.gz KNDMIDHJXJKVOC-WCQYABFASA-N 0 0 236.384 2.402 50 0 BEAARN O=C1CCCN1CC[C@@H]1CNc2ccccc21 ZINC000019480263 342949468 /nfs/dbraw/zinc/94/94/68/342949468.db2.gz PPAZUSXZKKRWGI-LLVKDONJSA-N 0 0 230.311 2.208 50 0 BEAARN CC(C)(C)NS(=O)(=O)Cc1ccc(F)cc1 ZINC000012381496 346896950 /nfs/dbraw/zinc/89/69/50/346896950.db2.gz YVLHCMCFWAFKJM-UHFFFAOYSA-N 0 0 245.319 2.044 50 0 BEAARN CC(=O)CC(=O)N(C)Cc1ccccc1Cl ZINC000019409250 342947707 /nfs/dbraw/zinc/94/77/07/342947707.db2.gz YZNLWPKFBLUTMR-UHFFFAOYSA-N 0 0 239.702 2.278 50 0 BEAARN Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000019407190 342947775 /nfs/dbraw/zinc/94/77/75/342947775.db2.gz FQVPTCFDLRKULA-UHFFFAOYSA-N 0 0 239.278 2.496 50 0 BEAARN Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000019736656 342955259 /nfs/dbraw/zinc/95/52/59/342955259.db2.gz IMSWSKYWTRVQCW-UHFFFAOYSA-N 0 0 238.290 2.472 50 0 BEAARN CN(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000019861912 342959807 /nfs/dbraw/zinc/95/98/07/342959807.db2.gz OYMFXONHTUORJI-JTQLQIEISA-N 0 0 243.148 2.011 50 0 BEAARN Nc1cccc(-c2nc3cnccc3o2)c1 ZINC000020158651 342973298 /nfs/dbraw/zinc/97/32/98/342973298.db2.gz NWBUXWFQBNSJAB-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN CCC(CC)c1sc(N)nc1C(=O)OC ZINC000003883303 168415337 /nfs/dbraw/zinc/41/53/37/168415337.db2.gz ALMUERUVFBVGLC-UHFFFAOYSA-N 0 0 228.317 2.416 50 0 BEAARN Cc1csc(NC(=O)c2cc(C3CC3)[nH]n2)n1 ZINC000020562143 342990539 /nfs/dbraw/zinc/99/05/39/342990539.db2.gz VKYRHOBFVSUHTP-UHFFFAOYSA-N 0 0 248.311 2.304 50 0 BEAARN Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000020352212 342982789 /nfs/dbraw/zinc/98/27/89/342982789.db2.gz HNQBCXSDSXMOQC-UHFFFAOYSA-N 0 0 218.231 2.382 50 0 BEAARN CC[C@@H](C)NC(=O)COc1cccc(F)c1 ZINC000032942953 342984023 /nfs/dbraw/zinc/98/40/23/342984023.db2.gz HFCURTSFYWCXDL-SECBINFHSA-N 0 0 225.263 2.119 50 0 BEAARN Nc1ccccc1-c1nc(C2CC2)no1 ZINC000021017471 343002475 /nfs/dbraw/zinc/00/24/75/343002475.db2.gz VWZAQYCQCYQYNB-UHFFFAOYSA-N 0 0 201.229 2.196 50 0 BEAARN Cc1oc(C)c(C(=O)Nc2nncs2)c1C ZINC000021216385 343007415 /nfs/dbraw/zinc/00/74/15/343007415.db2.gz HTKNWCOCFHSSRM-UHFFFAOYSA-N 0 0 237.284 2.309 50 0 BEAARN C[C@@H](Nc1ccc2nncn2n1)c1ccccc1 ZINC000020730093 342994757 /nfs/dbraw/zinc/99/47/57/342994757.db2.gz MZJWHOKJUQBVSF-SNVBAGLBSA-N 0 0 239.282 2.297 50 0 BEAARN CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000021557354 343015407 /nfs/dbraw/zinc/01/54/07/343015407.db2.gz KPRSAUFJTJAJBF-AWEZNQCLSA-N 0 0 249.310 2.291 50 0 BEAARN Cc1ccc(OCCn2ccnc2)cc1 ZINC000000431576 187219101 /nfs/dbraw/zinc/21/91/01/187219101.db2.gz AGDSBIYIBMPBJF-UHFFFAOYSA-N 0 0 202.257 2.271 50 0 BEAARN CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000021704117 343018769 /nfs/dbraw/zinc/01/87/69/343018769.db2.gz MYZYTWQMIGKQLN-GFCCVEGCSA-N 0 0 247.294 2.141 50 0 BEAARN CCOc1cc2c(cc1NC(C)=O)O[C@@H](C)C2 ZINC000021841117 343023837 /nfs/dbraw/zinc/02/38/37/343023837.db2.gz MASVGFZIPQABDU-QMMMGPOBSA-N 0 0 235.283 2.367 50 0 BEAARN Cc1csc(CNC(=O)C[C@@H]2C=CCC2)n1 ZINC000021482730 343013707 /nfs/dbraw/zinc/01/37/07/343013707.db2.gz XLDFLVVKYAAWLQ-SNVBAGLBSA-N 0 0 236.340 2.424 50 0 BEAARN CC(C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000012946906 346917924 /nfs/dbraw/zinc/91/79/24/346917924.db2.gz AUUGTFHMADXWAJ-GFCCVEGCSA-N 0 0 203.285 2.446 50 0 BEAARN Cc1csc(CNC(=O)c2occc2C)n1 ZINC000022282304 343045865 /nfs/dbraw/zinc/04/58/65/343045865.db2.gz UMIJCSOCCYDWHF-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN CN(C)c1ccc(NC(=O)c2ccsc2)cn1 ZINC000022419628 343048772 /nfs/dbraw/zinc/04/87/72/343048772.db2.gz LYCMGOMASDVQQV-UHFFFAOYSA-N 0 0 247.323 2.461 50 0 BEAARN Cn1cncc1CN1CCC(C(F)(F)F)CC1 ZINC000177161896 346922851 /nfs/dbraw/zinc/92/28/51/346922851.db2.gz JQBHINARHUMWTQ-UHFFFAOYSA-N 0 0 247.264 2.194 50 0 BEAARN CC(=O)Nc1nnc(C2CCCCC2)o1 ZINC000010880917 343057828 /nfs/dbraw/zinc/05/78/28/343057828.db2.gz SBKODEUYBFJOJN-UHFFFAOYSA-N 0 0 209.249 2.076 50 0 BEAARN CONC(=O)c1cc2c(cccc2F)s1 ZINC000023041165 343057972 /nfs/dbraw/zinc/05/79/72/343057972.db2.gz KGQYTHKXBHNSOQ-UHFFFAOYSA-N 0 0 225.244 2.332 50 0 BEAARN Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1 ZINC000024585404 343073718 /nfs/dbraw/zinc/07/37/18/343073718.db2.gz FVJAIRQLIHXKLL-UHFFFAOYSA-N 0 0 241.294 2.090 50 0 BEAARN CC(C)(O)c1cn(-c2ccccc2Cl)nn1 ZINC000072160174 343062212 /nfs/dbraw/zinc/06/22/12/343062212.db2.gz HDLSFNGXCWIKEM-UHFFFAOYSA-N 0 0 237.690 2.148 50 0 BEAARN CO[C@@H]1C(C)=C(C)C(=O)N1CCC(C)C ZINC000023485024 343065095 /nfs/dbraw/zinc/06/50/95/343065095.db2.gz HTMDXERGRYQFHF-GFCCVEGCSA-N 0 0 211.305 2.184 50 0 BEAARN Cc1[nH]c2ccc(C(=O)N(C)C)cc2c1C ZINC000012999641 343068348 /nfs/dbraw/zinc/06/83/48/343068348.db2.gz RGTUROUNZQXLKM-UHFFFAOYSA-N 0 0 216.284 2.487 50 0 BEAARN COc1cc(F)ccc1NC(=O)c1ccncc1 ZINC000025309573 343089059 /nfs/dbraw/zinc/08/90/59/343089059.db2.gz PHOUTWBFQMDDIZ-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN NS(=O)(=O)C1c2ccccc2-c2ccccc21 ZINC000034385125 343074472 /nfs/dbraw/zinc/07/44/72/343074472.db2.gz OLFSQHLHURGLQI-UHFFFAOYSA-N 0 0 245.303 2.045 50 0 BEAARN CCN(C(=O)c1cnccn1)c1ccccc1C ZINC000032753760 343075591 /nfs/dbraw/zinc/07/55/91/343075591.db2.gz BABJJAUYUSZTEX-UHFFFAOYSA-N 0 0 241.294 2.452 50 0 BEAARN O=C(c1ccc(F)cc1)N1CCSC1=S ZINC000026476406 343105469 /nfs/dbraw/zinc/10/54/69/343105469.db2.gz KSNYEMCADDCKOJ-UHFFFAOYSA-N 0 0 241.312 2.300 50 0 BEAARN Nc1cccc(-c2nnc(-c3ccncc3)[nH]2)c1 ZINC000026508120 343105965 /nfs/dbraw/zinc/10/59/65/343105965.db2.gz UXUIWFOVSCERHX-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000026870907 343110365 /nfs/dbraw/zinc/11/03/65/343110365.db2.gz SBJOFOGALWNRTD-CBAPKCEASA-N 0 0 215.256 2.157 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000025768057 343095265 /nfs/dbraw/zinc/09/52/65/343095265.db2.gz ZTPUEFLZJJXUPA-BQBZGAKWSA-N 0 0 222.313 2.226 50 0 BEAARN CCOc1ncccc1NC(=O)c1ccco1 ZINC000027587693 343122231 /nfs/dbraw/zinc/12/22/31/343122231.db2.gz AQKDOEUXUJTNQK-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN CCOc1ncccc1NC(=O)C1CCC1 ZINC000027587301 343122299 /nfs/dbraw/zinc/12/22/99/343122299.db2.gz BEOLISBMAXOWPH-UHFFFAOYSA-N 0 0 220.272 2.219 50 0 BEAARN CC(C)[C@H](C(=O)Nc1ncc[nH]1)n1cccc1 ZINC000263588864 187233817 /nfs/dbraw/zinc/23/38/17/187233817.db2.gz ZIWQKHWBSAIZTR-SNVBAGLBSA-N 0 0 232.287 2.047 50 0 BEAARN CCCc1cc(C(=O)NC2CCCCC2)[nH]n1 ZINC000029871092 343147941 /nfs/dbraw/zinc/14/79/41/343147941.db2.gz HYPYCPODPTXZEC-UHFFFAOYSA-N 0 0 235.331 2.425 50 0 BEAARN Cc1nsc(NC(=O)c2cccs2)n1 ZINC000027664477 343123307 /nfs/dbraw/zinc/12/33/07/343123307.db2.gz OKQYABIZUYOZKD-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN Fc1ccc(OCCn2ccnc2)cc1 ZINC000003876285 343139195 /nfs/dbraw/zinc/13/91/95/343139195.db2.gz ZEZBUZLQFSRBGB-UHFFFAOYSA-N 0 0 206.220 2.101 50 0 BEAARN Cc1cnc(C)c(N(C)Cc2ccncc2)n1 ZINC000298122279 187241627 /nfs/dbraw/zinc/24/16/27/187241627.db2.gz CCPROZNMAXQPCK-UHFFFAOYSA-N 0 0 228.299 2.125 50 0 BEAARN CC(C)(C)c1ccc(C([O-])=CC(N)=O)cc1 ZINC000000142925 187243913 /nfs/dbraw/zinc/24/39/13/187243913.db2.gz FQSRTGNIILJASA-UHFFFAOYSA-N 0 0 219.284 2.042 50 0 BEAARN CCOC(=O)c1ccccc1NC(=O)C(C)C ZINC000000029806 187244551 /nfs/dbraw/zinc/24/45/51/187244551.db2.gz IJLJGYLZERRALS-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 biogenic,in-vitro BEAARN Cc1nc(N)sc1Cc1ccc2c(c1)OCO2 ZINC000003273943 187246059 /nfs/dbraw/zinc/24/60/59/187246059.db2.gz BUUMKDSKHIODBE-UHFFFAOYSA-N 0 0 248.307 2.353 50 0 BEAARN CC(C)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000050926096 343222378 /nfs/dbraw/zinc/22/23/78/343222378.db2.gz LRBGMRZDCVXFDV-UHFFFAOYSA-N 0 0 213.321 2.219 50 0 BEAARN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C=O ZINC000004826677 187248060 /nfs/dbraw/zinc/24/80/60/187248060.db2.gz YNUVAJRGRQBLLB-HBNTYKKESA-N 0 0 212.289 2.189 50 0 BEAARN O=Cc1ccc(-n2cncn2)c(C(F)(F)F)c1 ZINC000166523240 343213128 /nfs/dbraw/zinc/21/31/28/343213128.db2.gz JPYLUAXBHZECKQ-UHFFFAOYSA-N 0 0 241.172 2.099 50 0 BEAARN C/C=C/C=C/C(=O)Nc1ccc(OC)nc1 ZINC000006252765 187248430 /nfs/dbraw/zinc/24/84/30/187248430.db2.gz CXJQDNPDQJGKLL-VNKDHWASSA-N 0 0 218.256 2.161 50 0 BEAARN COC(=O)C[C@@]1(C)OC[C@H](c2ccccc2)O1 ZINC000003080806 343214453 /nfs/dbraw/zinc/21/44/53/343214453.db2.gz QXKDHNLUWGBVBK-YPMHNXCESA-N 0 0 236.267 2.054 50 0 BEAARN C=CN1CCCC[C@H](C(=O)c2cccnc2)C1=O ZINC000006658280 187248471 /nfs/dbraw/zinc/24/84/71/187248471.db2.gz VEXBMZNDUMZNBA-GFCCVEGCSA-N 0 0 244.294 2.037 50 0 BEAARN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(C)=O ZINC000090687025 343215526 /nfs/dbraw/zinc/21/55/26/343215526.db2.gz CUANNSHSLHLLLC-ZDUSSCGKSA-N 0 0 249.310 2.159 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000006699830 187248596 /nfs/dbraw/zinc/24/85/96/187248596.db2.gz QXRIRHWVDVXPOD-XVKPBYJWSA-N 0 0 215.256 2.157 50 0 BEAARN CCCc1[nH]c(=O)cc2cc(OC)c(OC)cc21 ZINC000008637122 187248705 /nfs/dbraw/zinc/24/87/05/187248705.db2.gz AJEWHZOWLOTHDX-UHFFFAOYSA-N 0 0 247.294 2.498 50 0 BEAARN Cc1ccc(C(=O)n2cccn2)cc1C ZINC000006278172 187248754 /nfs/dbraw/zinc/24/87/54/187248754.db2.gz WDJYWYXNOYLFKL-UHFFFAOYSA-N 0 0 200.241 2.188 50 0 BEAARN CCOC(=O)CCC(=O)C1CCCCC1 ZINC000002379023 187245179 /nfs/dbraw/zinc/24/51/79/187245179.db2.gz FCERNGANVYWSDA-UHFFFAOYSA-N 0 0 212.289 2.479 50 0 BEAARN O=C1C[C@](O)(C(F)F)Oc2ccc(Cl)cc21 ZINC000002479541 187245211 /nfs/dbraw/zinc/24/52/11/187245211.db2.gz YDTRNTLELXJIIE-SNVBAGLBSA-N 0 0 248.612 2.259 50 0 BEAARN CCN(CC)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000030653703 343191036 /nfs/dbraw/zinc/19/10/36/343191036.db2.gz WEBNCVJNXWIRHM-UHFFFAOYSA-N 0 0 233.271 2.152 50 0 BEAARN Nc1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC000030677798 343193416 /nfs/dbraw/zinc/19/34/16/343193416.db2.gz MMBUQRHOEINQHO-GFCCVEGCSA-N 0 0 217.272 2.318 50 0 BEAARN Clc1nc2scnc2c(Cl)n1 ZINC000030678392 343193489 /nfs/dbraw/zinc/19/34/89/343193489.db2.gz XYBGDWLYHQAUQM-UHFFFAOYSA-N 0 0 206.057 2.393 50 0 BEAARN COc1ccc(CC(=O)C(F)(F)F)cc1 ZINC000002383466 187245436 /nfs/dbraw/zinc/24/54/36/187245436.db2.gz YLMHLXFFVYFSNR-UHFFFAOYSA-N 0 0 218.174 2.369 50 0 BEAARN CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000031776840 343224237 /nfs/dbraw/zinc/22/42/37/343224237.db2.gz HNVBBNZWMSTMAZ-UHFFFAOYSA-N 0 0 227.304 2.223 50 0 BEAARN Fc1cc(-c2ccnc(Cl)n2)ccn1 ZINC000032299537 343232101 /nfs/dbraw/zinc/23/21/01/343232101.db2.gz FDEAZDLUUDWXIE-UHFFFAOYSA-N 0 0 209.611 2.331 50 0 BEAARN CN1C(=O)c2ccccc2NC12CCCC2 ZINC000032751194 343241626 /nfs/dbraw/zinc/24/16/26/343241626.db2.gz NHQKJTPAYOTXQM-UHFFFAOYSA-N 0 0 216.284 2.454 50 0 BEAARN O=C(c1ccc[nH]1)N1CCCCCCC1 ZINC000032819019 343242551 /nfs/dbraw/zinc/24/25/51/343242551.db2.gz UVGOEOXARWOQFG-UHFFFAOYSA-N 0 0 206.289 2.421 50 0 BEAARN Cc1cc(N)n(-c2cccc(C)c2C)n1 ZINC000032919407 343244364 /nfs/dbraw/zinc/24/43/64/343244364.db2.gz QTETTZLRWDEFDW-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN CS[C@@H](C)C(=O)NCc1ccc(C)s1 ZINC000048331624 343244553 /nfs/dbraw/zinc/24/45/53/343244553.db2.gz MUTJMXMZXXLPRX-QMMMGPOBSA-N 0 0 229.370 2.424 50 0 BEAARN O=C(NC[C@H]1CCC[C@H]1O)Nc1cccs1 ZINC000072304778 343244677 /nfs/dbraw/zinc/24/46/77/343244677.db2.gz UWPICSKCXNDEAQ-RKDXNWHRSA-N 0 0 240.328 2.031 50 0 BEAARN CC(=O)Nc1cc(N)cc2ccccc21 ZINC000033414755 343253496 /nfs/dbraw/zinc/25/34/96/343253496.db2.gz PJYZGMFZGBKNMN-UHFFFAOYSA-N 0 0 200.241 2.380 50 0 BEAARN CC(=O)c1cnc2nc3ccccc3n2c1C ZINC000012243739 187250528 /nfs/dbraw/zinc/25/05/28/187250528.db2.gz KPZYFTNCMGRAMG-UHFFFAOYSA-N 0 0 225.251 2.394 50 0 BEAARN COc1cc(C)c(Br)cc1O ZINC000034139946 343265080 /nfs/dbraw/zinc/26/50/80/343265080.db2.gz OSVCLUSXEQZGQS-UHFFFAOYSA-N 0 0 217.062 2.472 50 0 BEAARN CC(C)[C@@H]1C[C@](C)(c2csc(N)n2)OC1=O ZINC000000181078 343269016 /nfs/dbraw/zinc/26/90/16/343269016.db2.gz HKFLYRJFMVGMAU-WRWORJQWSA-N 0 0 240.328 2.160 50 0 biogenic BEAARN COc1cc(CNc2ncccn2)cc(OC)c1 ZINC000022034721 343271943 /nfs/dbraw/zinc/27/19/43/343271943.db2.gz PSXCJQARWAHGOU-UHFFFAOYSA-N 0 0 245.282 2.106 50 0 BEAARN C[C@H]1CN(C)[C@H](c2ccccc2)CC1=O ZINC000004011731 343272862 /nfs/dbraw/zinc/27/28/62/343272862.db2.gz VNDAHOBGMUYYOM-JQWIXIFHSA-N 0 0 203.285 2.268 50 0 BEAARN Clc1cc2c(Cl)ncnc2cn1 ZINC000034501794 343273346 /nfs/dbraw/zinc/27/33/46/343273346.db2.gz CKPNVNAKQGYUSK-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN CCOC[P@@](=O)(/C=C/N(C)C)OCC ZINC000004481508 343273415 /nfs/dbraw/zinc/27/34/15/343273415.db2.gz RSEPDTHLSKPNSR-HSBSLETESA-N 0 0 221.237 2.328 50 0 BEAARN CC(C)c1ccc(Cc2nnc(N)o2)cc1 ZINC000034936068 343280880 /nfs/dbraw/zinc/28/08/80/343280880.db2.gz NKPLIYIQCGQQOL-UHFFFAOYSA-N 0 0 217.272 2.366 50 0 BEAARN CC(C)(C)NC(=O)c1cc(Cl)ccn1 ZINC000034937661 343281437 /nfs/dbraw/zinc/28/14/37/343281437.db2.gz NTBJAFUDHLARIW-UHFFFAOYSA-N 0 0 212.680 2.263 50 0 BEAARN Cc1cc(Br)ccc1CO ZINC000036830578 343324971 /nfs/dbraw/zinc/32/49/71/343324971.db2.gz IFKWLKCPUIQXPU-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN COC(=O)c1ccccc1NCc1ccccn1 ZINC000036891355 343326402 /nfs/dbraw/zinc/32/64/02/343326402.db2.gz ZDSSMOFQNIHBTJ-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN CC(C)=CC(=O)Nc1nnc(C2CC2)s1 ZINC000022896481 187255098 /nfs/dbraw/zinc/25/50/98/187255098.db2.gz JBBZIUCNPOQEMX-UHFFFAOYSA-N 0 0 223.301 2.320 50 0 BEAARN O=C1CCc2cc(Br)c(F)cc2N1 ZINC000035359656 343295264 /nfs/dbraw/zinc/29/52/64/343295264.db2.gz QHBQAFBBDSHWLQ-UHFFFAOYSA-N 0 0 244.063 2.473 50 0 BEAARN CCn1cnc2c(-c3ccccc3)c[nH]c2c1=O ZINC000035462725 343297342 /nfs/dbraw/zinc/29/73/42/343297342.db2.gz NGRHRRREGUGOJY-UHFFFAOYSA-N 0 0 239.278 2.412 50 0 BEAARN O=c1[nH]ccc2sc(Br)cc21 ZINC000035635940 343300777 /nfs/dbraw/zinc/30/07/77/343300777.db2.gz ZDUWCUXIWRAXLF-UHFFFAOYSA-N 0 0 230.086 2.352 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000036040102 343307374 /nfs/dbraw/zinc/30/73/74/343307374.db2.gz LBJSEPNOVVUVJA-NXEZZACHSA-N 0 0 229.320 2.062 50 0 BEAARN Cc1ccn(CCC(=O)Nc2ccc(F)cc2)n1 ZINC000020989427 187253686 /nfs/dbraw/zinc/25/36/86/187253686.db2.gz RKLDJUMEARSOMV-UHFFFAOYSA-N 0 0 247.273 2.359 50 0 BEAARN COC(=O)C(C)(C)Nc1ccc(C)cc1 ZINC000037953347 343362619 /nfs/dbraw/zinc/36/26/19/343362619.db2.gz QKAYKRFSJSDPCH-UHFFFAOYSA-N 0 0 207.273 2.359 50 0 BEAARN CCn1cncc1CN1CCC[C@@](C)(F)C1 ZINC000335631550 136300036 /nfs/dbraw/zinc/30/00/36/136300036.db2.gz BQIOQNQOQREGBO-GFCCVEGCSA-N 0 0 225.311 2.227 50 0 BEAARN CC(C)(CC(=O)[O-])[NH2+]Cc1ccccc1 ZINC000038293312 343373736 /nfs/dbraw/zinc/37/37/36/343373736.db2.gz DHXNGBMVPJHMBV-UHFFFAOYSA-N 0 0 207.273 2.030 50 0 BEAARN CC(C)[C@@H](CC(=O)[O-])[NH2+]Cc1ccccc1 ZINC000038458047 343374927 /nfs/dbraw/zinc/37/49/27/343374927.db2.gz CRGHGHLMEXVSAO-GFCCVEGCSA-N 0 0 221.300 2.276 50 0 BEAARN Nc1ccc(C(=O)OCc2ccccc2)cn1 ZINC000038537910 343376709 /nfs/dbraw/zinc/37/67/09/343376709.db2.gz WZFRFMFRNZBTPU-UHFFFAOYSA-N 0 0 228.251 2.021 50 0 BEAARN O=c1oc2ccccc2n1Cc1ccccn1 ZINC000039281709 187255758 /nfs/dbraw/zinc/25/57/58/187255758.db2.gz NWWSWSLCSHBTOU-UHFFFAOYSA-N 0 0 226.235 2.038 50 0 BEAARN O=C1CCN(c2cccc(Br)c2)C1 ZINC000037239779 343340416 /nfs/dbraw/zinc/34/04/16/343340416.db2.gz HGFDCWZZKOGGKT-UHFFFAOYSA-N 0 0 240.100 2.228 50 0 BEAARN COC(=O)[C@@](C)(N)c1ccc(Cl)c(Cl)c1 ZINC000037459718 343345800 /nfs/dbraw/zinc/34/58/00/343345800.db2.gz BYWKSTSGBJNLMJ-JTQLQIEISA-N 0 0 248.109 2.340 50 0 biogenic BEAARN CON(C)C(=O)c1ccccc1Br ZINC000037493258 343347171 /nfs/dbraw/zinc/34/71/71/343347171.db2.gz DFCHDGWEZWJPAM-UHFFFAOYSA-N 0 0 244.088 2.083 50 0 BEAARN NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000335687401 136323664 /nfs/dbraw/zinc/32/36/64/136323664.db2.gz BTCQNDAJZWDURL-NKWVEPMBSA-N 0 0 224.226 2.023 50 0 BEAARN CN1C(=O)Oc2ccc3ccccc3c2[C@H]1O ZINC000039254274 343387951 /nfs/dbraw/zinc/38/79/51/343387951.db2.gz XMYLVCSYYXIJCV-GFCCVEGCSA-N 0 0 229.235 2.275 50 0 BEAARN NNc1ccc(Cl)c(Br)c1 ZINC000039316990 343388429 /nfs/dbraw/zinc/38/84/29/343388429.db2.gz IZGXAWPNPDVOFB-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN O=C(OCC(Cl)(Cl)Cl)n1ccnc1 ZINC000039347391 343388667 /nfs/dbraw/zinc/38/86/67/343388667.db2.gz FZPFFJOICMDOSY-UHFFFAOYSA-N 0 0 243.477 2.238 50 0 BEAARN Fc1cc(F)cc(Cc2nc(Cl)n[nH]2)c1 ZINC000040162940 343397292 /nfs/dbraw/zinc/39/72/92/343397292.db2.gz DRIXAADMOUTEBK-UHFFFAOYSA-N 0 0 229.617 2.327 50 0 BEAARN Cc1cnc(N2C[C@H](C)O[C@@H](C3CC3)C2)s1 ZINC000335691797 136325223 /nfs/dbraw/zinc/32/52/23/136325223.db2.gz GPBXDMUUTBXLMJ-GZMMTYOYSA-N 0 0 238.356 2.455 50 0 BEAARN O=C1COc2cc(C(F)(F)F)ccc2N1 ZINC000040448216 343403651 /nfs/dbraw/zinc/40/36/51/343403651.db2.gz OGRPFRMNFZIHCT-UHFFFAOYSA-N 0 0 217.146 2.036 50 0 BEAARN Cc1ccc(C=O)c(-n2cccn2)c1C ZINC000040448999 343404128 /nfs/dbraw/zinc/40/41/28/343404128.db2.gz DYSQYFPOHHSBBW-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1ccc(CC2N=NC(=S)N2)cc1C ZINC000040456439 343404814 /nfs/dbraw/zinc/40/48/14/343404814.db2.gz LVYUPXLCQDYACG-UHFFFAOYSA-N 0 0 219.313 2.301 50 0 BEAARN CCN(CC)C(=O)c1cn2cccc(C)c2n1 ZINC000097939095 343409352 /nfs/dbraw/zinc/40/93/52/343409352.db2.gz JSTZJRNWXJUAGK-UHFFFAOYSA-N 0 0 231.299 2.125 50 0 BEAARN Cn1cncc1COc1cccc(F)c1F ZINC000335734301 136349807 /nfs/dbraw/zinc/34/98/07/136349807.db2.gz HIRLSTNGIGOENM-UHFFFAOYSA-N 0 0 224.210 2.277 50 0 BEAARN Cn1nccc1CN1CCCC[C@@H]1C(F)F ZINC000335707705 136336361 /nfs/dbraw/zinc/33/63/61/136336361.db2.gz PYDINCHCEGZJAY-SNVBAGLBSA-N 0 0 229.274 2.040 50 0 BEAARN COCCOc1cc(Br)ccc1N ZINC000083732100 343496969 /nfs/dbraw/zinc/49/69/69/343496969.db2.gz JMHZROHRIISRKH-UHFFFAOYSA-N 0 0 246.104 2.057 50 0 BEAARN CCN1C(=O)CS[C@H]1c1ccccc1 ZINC000044124400 343492043 /nfs/dbraw/zinc/49/20/43/343492043.db2.gz VZFDRRJZWBSDAC-NSHDSACASA-N 0 0 207.298 2.281 50 0 BEAARN O=C(c1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000043210871 343465942 /nfs/dbraw/zinc/46/59/42/343465942.db2.gz IUWLNNWDEVXWPK-UHFFFAOYSA-N 0 0 245.322 2.112 50 0 BEAARN O=C(c1cccc(CN2CCOCC2)c1)C1CC1 ZINC000043211049 343465971 /nfs/dbraw/zinc/46/59/71/343465971.db2.gz CFACLAJVQPHDFX-UHFFFAOYSA-N 0 0 245.322 2.112 50 0 BEAARN O=C1CCc2cc(-c3ncccn3)ccc21 ZINC000118890443 343518524 /nfs/dbraw/zinc/51/85/24/343518524.db2.gz VGBIEAXDDRKZDE-UHFFFAOYSA-N 0 0 210.236 2.273 50 0 BEAARN NC(=S)c1cccc(OC(F)(F)F)c1 ZINC000044960016 343519555 /nfs/dbraw/zinc/51/95/55/343519555.db2.gz KGDKLGFSPGGSRL-UHFFFAOYSA-N 0 0 221.203 2.219 50 0 BEAARN O=c1ccc(-c2nc(-c3cccs3)no2)c[nH]1 ZINC000045894069 343535529 /nfs/dbraw/zinc/53/55/29/343535529.db2.gz PDDZUHXDQJZCFM-UHFFFAOYSA-N 0 0 245.263 2.153 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@]2(C)CCCO2)o1 ZINC000067473041 178544197 /nfs/dbraw/zinc/54/41/97/178544197.db2.gz XZGFSMBUADVUFB-ZDUSSCGKSA-N 0 0 237.299 2.116 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000048056636 343569996 /nfs/dbraw/zinc/56/99/96/343569996.db2.gz BBMPPFABSXELKV-MFKMUULPSA-N 0 0 241.331 2.016 50 0 BEAARN CC(C)c1cc(NC(=O)c2cccnc2)n[nH]1 ZINC000049044578 343592228 /nfs/dbraw/zinc/59/22/28/343592228.db2.gz CZEMSKHGPMRHFZ-UHFFFAOYSA-N 0 0 230.271 2.180 50 0 BEAARN CONC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000048429842 343581228 /nfs/dbraw/zinc/58/12/28/343581228.db2.gz RJJCKQCDZQXTSL-UHFFFAOYSA-N 0 0 242.278 2.015 50 0 BEAARN CCCn1ccnc1S[C@H](CC)C(=O)OC ZINC000040479376 187264619 /nfs/dbraw/zinc/26/46/19/187264619.db2.gz ZGJVGKJVGNFVSI-SECBINFHSA-N 0 0 242.344 2.337 50 0 BEAARN CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)[O-] ZINC000082718253 187267147 /nfs/dbraw/zinc/26/71/47/187267147.db2.gz SJWXTVQPPWXIII-CYBMUJFWSA-N 0 0 221.300 2.400 50 0 BEAARN CCc1nc(CCNC(=O)[C@@H]2C[C@H]2C)cs1 ZINC000083830280 343677184 /nfs/dbraw/zinc/67/71/84/343677184.db2.gz JLJMQNQZSFLJFT-PSASIEDQSA-N 0 0 238.356 2.020 50 0 BEAARN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000088046988 343697604 /nfs/dbraw/zinc/69/76/04/343697604.db2.gz CKAKPXROXNNPQF-SSDOTTSWSA-N 0 0 245.681 2.384 50 0 BEAARN Cc1oc2ncn(CC(C)C)c(=N)c2c1C ZINC000013655225 346962913 /nfs/dbraw/zinc/96/29/13/346962913.db2.gz PDUCOTDWTSRANM-UHFFFAOYSA-N 0 0 219.288 2.382 50 0 BEAARN COC(=O)CSCc1ccccc1C ZINC000006789644 349851351 /nfs/dbraw/zinc/85/13/51/349851351.db2.gz HWULBRCHRNKBBC-UHFFFAOYSA-N 0 0 210.298 2.401 50 0 BEAARN CCN1C(=O)C[C@@H]2Sc3ccccc3N=C21 ZINC000059682003 343712045 /nfs/dbraw/zinc/71/20/45/343712045.db2.gz UJJLBGLTSFFWKR-JTQLQIEISA-N 0 0 232.308 2.443 50 0 BEAARN CC(C)n1cc(NC(=O)c2ccoc2)cn1 ZINC000066389118 349876019 /nfs/dbraw/zinc/87/60/19/349876019.db2.gz PLTSFRGSMYTGTK-UHFFFAOYSA-N 0 0 219.244 2.309 50 0 BEAARN CC(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1 ZINC000071902930 187276551 /nfs/dbraw/zinc/27/65/51/187276551.db2.gz FAINOKJHGNPYSO-CHWSQXEVSA-N 0 0 219.284 2.123 50 0 BEAARN Cc1nccc(C(C)(C)C)c1C(N)=S ZINC000072447004 187276667 /nfs/dbraw/zinc/27/66/67/187276667.db2.gz IWGCUUZTEBDLJM-UHFFFAOYSA-N 0 0 208.330 2.322 50 0 BEAARN CCc1nc(C)ccc1OC(=O)N(C)C ZINC000066323394 343865122 /nfs/dbraw/zinc/86/51/22/343865122.db2.gz UDIURTQGMAYNCV-UHFFFAOYSA-N 0 0 208.261 2.013 50 0 BEAARN CC(C)COc1ccc(CNC(N)=S)cc1 ZINC000000551916 347003400 /nfs/dbraw/zinc/00/34/00/347003400.db2.gz NUQHOQOFFJNITC-UHFFFAOYSA-N 0 0 238.356 2.055 50 0 BEAARN COC(=O)c1coc(-c2ccnc(Cl)c2)n1 ZINC000096675731 343875285 /nfs/dbraw/zinc/87/52/85/343875285.db2.gz MSHHKSNHYZPFJW-UHFFFAOYSA-N 0 0 238.630 2.177 50 0 BEAARN Fc1cncc(CSc2ncccn2)c1 ZINC000334626037 343897686 /nfs/dbraw/zinc/89/76/86/343897686.db2.gz KBLDXMZGPXVGJP-UHFFFAOYSA-N 0 0 221.260 2.303 50 0 BEAARN Fc1cccnc1SC[C@@H]1CCOC1 ZINC000334662147 343899464 /nfs/dbraw/zinc/89/94/64/343899464.db2.gz WPDFLMHUNYRNTR-MRVPVSSYSA-N 0 0 213.277 2.349 50 0 BEAARN CCc1cnc(-c2cccc(O)c2)nc1 ZINC000067946404 343908775 /nfs/dbraw/zinc/90/87/75/343908775.db2.gz RNIRXVAMPKMJIJ-UHFFFAOYSA-N 0 0 200.241 2.412 50 0 BEAARN O=C(Cc1cccc(F)c1)N[C@@H]1CC12CC2 ZINC000335118670 343927788 /nfs/dbraw/zinc/92/77/88/343927788.db2.gz JQSHXMOGUZSPKD-LLVKDONJSA-N 0 0 219.259 2.037 50 0 BEAARN C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000000028388 343961769 /nfs/dbraw/zinc/96/17/69/343961769.db2.gz HMITUJGNRCASQV-VHSXEESVSA-N 0 0 207.273 2.200 50 0 BEAARN Cc1nc(Br)sc1C=O ZINC000082379237 187282104 /nfs/dbraw/zinc/28/21/04/187282104.db2.gz YHYIYXCLOXLCBM-UHFFFAOYSA-N 0 0 206.064 2.027 50 0 BEAARN COC(=O)[C@@]1(C(F)(F)F)CC(C)=C(C)CO1 ZINC000004698302 343965713 /nfs/dbraw/zinc/96/57/13/343965713.db2.gz JXWPSSTYUHCORO-SECBINFHSA-N 0 0 238.205 2.217 50 0 BEAARN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC1CC1 ZINC000014400465 347024815 /nfs/dbraw/zinc/02/48/15/347024815.db2.gz AONWIBIZDRUQNW-CYBMUJFWSA-N 0 0 249.310 2.131 50 0 BEAARN CN(C)c1cccc(Br)c1C=O ZINC000085476772 187285740 /nfs/dbraw/zinc/28/57/40/187285740.db2.gz MNKKJPOIHAHKBY-UHFFFAOYSA-N 0 0 228.089 2.328 50 0 BEAARN CCOC(=O)[C@@H](C)NC(=O)C[C@H](C)C(C)(C)C ZINC000084791183 187285294 /nfs/dbraw/zinc/28/52/94/187285294.db2.gz XNAKQQFUKBGYFY-VHSXEESVSA-N 0 0 243.347 2.127 50 0 BEAARN Cc1c(Br)cccc1C(=O)N(C)C ZINC000083891087 187285722 /nfs/dbraw/zinc/28/57/22/187285722.db2.gz YZZUSGXSAZYGNM-UHFFFAOYSA-N 0 0 242.116 2.459 50 0 BEAARN COc1ccnc(CCCOc2ccccc2)n1 ZINC000091595738 187286613 /nfs/dbraw/zinc/28/66/13/187286613.db2.gz PDEGIGSHDQIXEZ-UHFFFAOYSA-N 0 0 244.294 2.497 50 0 BEAARN CC(C)CNc1ccccc1CC(=O)N(C)C ZINC000079016628 344105975 /nfs/dbraw/zinc/10/59/75/344105975.db2.gz IQWSQJLXDWFRNQ-UHFFFAOYSA-N 0 0 234.343 2.385 50 0 BEAARN CN(Cc1cscn1)c1cc(C2CC2)ncn1 ZINC000641310181 362357474 /nfs/dbraw/zinc/35/74/74/362357474.db2.gz YSPJQZLBLAPKAH-UHFFFAOYSA-N 0 0 246.339 2.447 50 0 BEAARN C/C=C\COC(=O)c1cccnc1OCC ZINC000096931130 187290133 /nfs/dbraw/zinc/29/01/33/187290133.db2.gz YPGFYLPEFMJTLA-HYXAFXHYSA-N 0 0 221.256 2.213 50 0 BEAARN CNc1ccc(Br)c(C)c1N ZINC000306656096 344357070 /nfs/dbraw/zinc/35/70/70/344357070.db2.gz ZFQAAHJUBWXUNB-UHFFFAOYSA-N 0 0 215.094 2.381 50 0 BEAARN CCc1[nH]nc2ncc(Br)cc12 ZINC000095829792 344357386 /nfs/dbraw/zinc/35/73/86/344357386.db2.gz MNFSONFFBSRURT-UHFFFAOYSA-N 0 0 226.077 2.283 50 0 BEAARN Cc1ccc(Cl)cc1N1C(=O)CCC1=O ZINC000000101396 178663340 /nfs/dbraw/zinc/66/33/40/178663340.db2.gz RNZQQTIKRIDDNU-UHFFFAOYSA-N 0 0 223.659 2.302 50 0 BEAARN Cc1cc(N)nn1Cc1ccc(C)cc1 ZINC000026438903 178666978 /nfs/dbraw/zinc/66/69/78/178666978.db2.gz GAELYXRTGBDAED-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC ZINC000084740591 344470117 /nfs/dbraw/zinc/47/01/17/344470117.db2.gz MSOSVFHZZBTXDD-UTUOFQBUSA-N 0 0 227.348 2.496 50 0 BEAARN CC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000000294263 344680255 /nfs/dbraw/zinc/68/02/55/344680255.db2.gz RURHCQYUWIEKQO-UHFFFAOYSA-N 0 0 246.310 2.271 50 0 BEAARN COC(=O)C(CC(C)C)(CC(C)C)C(=O)OC ZINC000113359685 344659217 /nfs/dbraw/zinc/65/92/17/344659217.db2.gz VMSDGXIKDYLSHB-UHFFFAOYSA-N 0 0 244.331 2.411 50 0 BEAARN COC(=O)CSc1cccc2cccnc21 ZINC000000196704 344621970 /nfs/dbraw/zinc/62/19/70/344621970.db2.gz UDANREYXLOUUKK-UHFFFAOYSA-N 0 0 233.292 2.500 50 0 BEAARN Cc1ccsc1C(=O)NCCCn1ccnc1 ZINC000028225862 344640917 /nfs/dbraw/zinc/64/09/17/344640917.db2.gz OMNJFHFKQPHXPM-UHFFFAOYSA-N 0 0 249.339 2.073 50 0 BEAARN CCCC(=O)Nc1sc(CC)cc1C(N)=O ZINC000028226035 344643393 /nfs/dbraw/zinc/64/33/93/344643393.db2.gz TWTAKHPSLVIHHY-UHFFFAOYSA-N 0 0 240.328 2.148 50 0 BEAARN CC(=O)c1c(C)nc2n(C)c3ccccc3n21 ZINC000000305785 344686748 /nfs/dbraw/zinc/68/67/48/344686748.db2.gz SGMMPTPILSUWAH-UHFFFAOYSA-N 0 0 227.267 2.337 50 0 BEAARN C=CC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000050599515 344718556 /nfs/dbraw/zinc/71/85/56/344718556.db2.gz HFKHWUCEAWYFEM-LBPRGKRZSA-N 0 0 201.269 2.189 50 0 BEAARN CCOC(=O)c1nnc(-c2ccccc2)s1 ZINC000118238781 344787574 /nfs/dbraw/zinc/78/75/74/344787574.db2.gz XLOSEAOBCVYOAQ-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN Cc1ccc(NC(=O)c2ncccn2)cc1 ZINC000072436897 178754505 /nfs/dbraw/zinc/75/45/05/178754505.db2.gz XLWNCKOVIUJORU-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN CC(=O)c1cnc(NC(=O)C(C)(C)C)s1 ZINC000118685004 187294650 /nfs/dbraw/zinc/29/46/50/187294650.db2.gz RIAMSJQKSBSVHN-UHFFFAOYSA-N 0 0 226.301 2.330 50 0 BEAARN CNc1c(N)cc(Br)cc1OC ZINC000307119687 344931960 /nfs/dbraw/zinc/93/19/60/344931960.db2.gz GPFCMFOIAGTMJW-UHFFFAOYSA-N 0 0 231.093 2.082 50 0 BEAARN CC(C)CC(=O)N1CC(n2ccnc2C(C)C)C1 ZINC000409419630 344966331 /nfs/dbraw/zinc/96/63/31/344966331.db2.gz NINZXIWBVDPLFW-UHFFFAOYSA-N 0 0 249.358 2.436 50 0 BEAARN Cc1ccc(OCCNC(=O)NC2CC2)c(C)c1 ZINC000032843677 178812317 /nfs/dbraw/zinc/81/23/17/178812317.db2.gz DJJHAJSKDIDYAN-UHFFFAOYSA-N 0 0 248.326 2.144 50 0 BEAARN Fc1ccc(Nc2ncnc3n[nH]cc32)cc1F ZINC000011856424 345038538 /nfs/dbraw/zinc/03/85/38/345038538.db2.gz PNQDPJHROPOVLD-UHFFFAOYSA-N 0 0 247.208 2.375 50 0 BEAARN Clc1ncnc(N2CCCC2)c1Cl ZINC000238574355 345079268 /nfs/dbraw/zinc/07/92/68/345079268.db2.gz OKBAEUKEKRQWSY-UHFFFAOYSA-N 0 0 218.087 2.384 50 0 BEAARN Cc1cc(COc2ccc(C)cn2)on1 ZINC000077240732 178815138 /nfs/dbraw/zinc/81/51/38/178815138.db2.gz TXDJAACFTCWXSI-UHFFFAOYSA-N 0 0 204.229 2.265 50 0 BEAARN CC(C)(C)[C@]1(O)OC(=O)c2ccccc21 ZINC000000396949 187300711 /nfs/dbraw/zinc/30/07/11/187300711.db2.gz CXLPVLPOUXZWRB-GFCCVEGCSA-N 0 0 206.241 2.048 50 0 BEAARN CCC(CC)[C@H](O)[C@@H]1CCCC[C@H]1O ZINC000000394904 345255906 /nfs/dbraw/zinc/25/59/06/345255906.db2.gz PKYNNTVDTHYWOQ-UTUOFQBUSA-N 0 0 200.322 2.335 50 0 BEAARN CC(C)C(=O)OCc1cc2ccccc2[nH]c1=O ZINC000005161635 345257921 /nfs/dbraw/zinc/25/79/21/345257921.db2.gz LLIQTXIDIHDEFT-UHFFFAOYSA-N 0 0 245.278 2.227 50 0 BEAARN Cc1cc(I)ccc1O ZINC000000389598 229546763 /nfs/dbraw/zinc/54/67/63/229546763.db2.gz WSBDSSKIWDFOBQ-UHFFFAOYSA-N 0 0 234.036 2.305 50 0 BEAARN Cc1ccc(CNC(=O)NC2CCCCC2)n1C ZINC000072268472 537902883 /nfs/dbraw/zinc/90/28/83/537902883.db2.gz PAFFYZFYUVQDIK-UHFFFAOYSA-N 0 0 249.358 2.465 50 0 BEAARN CC(C)[C@@H]1CN(c2cnccn2)CCS1 ZINC000095962022 345686976 /nfs/dbraw/zinc/68/69/76/345686976.db2.gz HCALOVVQIKSAHK-JTQLQIEISA-N 0 0 223.345 2.054 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012295968 349937843 /nfs/dbraw/zinc/93/78/43/349937843.db2.gz TUBLGTZMWYAROQ-MRVPVSSYSA-N 0 0 248.282 2.145 50 0 BEAARN Cc1cccc2c1NC1(CCCC1)NC2=O ZINC000069351859 345784711 /nfs/dbraw/zinc/78/47/11/345784711.db2.gz UHTIDEIXZJULKR-UHFFFAOYSA-N 0 0 216.284 2.421 50 0 BEAARN CCCCC(=O)NC[C@@](C)(O)C1CCCC1 ZINC000075245826 345846254 /nfs/dbraw/zinc/84/62/54/345846254.db2.gz XJFQRNBXBQEFOB-CYBMUJFWSA-N 0 0 227.348 2.234 50 0 BEAARN COc1cc(NC(=O)[C@@H]2C[C@H]2C)ccc1F ZINC000189446712 345825090 /nfs/dbraw/zinc/82/50/90/345825090.db2.gz SUQRMRFVNRPRNM-VXNVDRBHSA-N 0 0 223.247 2.429 50 0 BEAARN CCOc1cccc(NC(=O)c2ccoc2)n1 ZINC000078971593 345885046 /nfs/dbraw/zinc/88/50/46/345885046.db2.gz VBTOPCARZXBQML-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN COC(=O)c1ccc(Cl)nc1SC ZINC000307701872 345926710 /nfs/dbraw/zinc/92/67/10/345926710.db2.gz SQZPWKNSTSURDI-UHFFFAOYSA-N 0 0 217.677 2.244 50 0 BEAARN CCN1C(=O)S/C(=C/c2ccco2)C1=O ZINC000005215137 345906451 /nfs/dbraw/zinc/90/64/51/345906451.db2.gz PKFTWQOZAYHSSM-SOFGYWHQSA-N 0 0 223.253 2.336 50 0 BEAARN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1OCC[C@@H]1C ZINC000685939730 537928533 /nfs/dbraw/zinc/92/85/33/537928533.db2.gz NURBPORBKLKRHB-YFKTTZPYSA-N 0 0 225.332 2.201 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCSC1 ZINC000098018509 187362522 /nfs/dbraw/zinc/36/25/22/187362522.db2.gz AEVCVARKGWXBSM-QMMMGPOBSA-N 0 0 217.334 2.407 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C)no1 ZINC000685944723 537934664 /nfs/dbraw/zinc/93/46/64/537934664.db2.gz KFQKLEKLQVBOBR-UISBYWKRSA-N 0 0 234.299 2.303 50 0 BEAARN CCC(CC)(CC)SCC(=O)NC(=O)NC ZINC000191931389 346075478 /nfs/dbraw/zinc/07/54/78/346075478.db2.gz VPUMHXJNTWLJPU-UHFFFAOYSA-N 0 0 246.376 2.144 50 0 BEAARN CCC(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000192055462 346079670 /nfs/dbraw/zinc/07/96/70/346079670.db2.gz DXSPGCGMUWFQCX-SWLSCSKDSA-N 0 0 249.354 2.142 50 0 BEAARN CC1(C)SC(=O)N(Cc2cccnc2)C1=O ZINC000193672181 187315362 /nfs/dbraw/zinc/31/53/62/187315362.db2.gz FHRFBFYWOPNUJL-UHFFFAOYSA-N 0 0 236.296 2.056 50 0 BEAARN Cc1cccc(CNc2cnn(C)c2)c1 ZINC000020350261 187316116 /nfs/dbraw/zinc/31/61/16/187316116.db2.gz WJSCDRHHTWGFOK-UHFFFAOYSA-N 0 0 201.273 2.341 50 0 BEAARN CCN(CC)C(=O)CCc1ccc(OC)cc1 ZINC000005470476 346234204 /nfs/dbraw/zinc/23/42/04/346234204.db2.gz WBHUFZREDUOUDY-UHFFFAOYSA-N 0 0 235.327 2.496 50 0 BEAARN CC(C)(C)OC(=O)n1cnc2cc(N)ccc21 ZINC000002599358 346219472 /nfs/dbraw/zinc/21/94/72/346219472.db2.gz XDHCBTYFHVDHFD-UHFFFAOYSA-N 0 0 233.271 2.402 50 0 BEAARN CCc1nc(COC(=O)[C@@H](CC)OC)cs1 ZINC000062326385 346240233 /nfs/dbraw/zinc/24/02/33/346240233.db2.gz HOSDJDWDWYDGAQ-SECBINFHSA-N 0 0 243.328 2.174 50 0 BEAARN CC(C)C(=O)Nc1nonc1-c1cccs1 ZINC000005487030 346241485 /nfs/dbraw/zinc/24/14/85/346241485.db2.gz HVRJYNNKWUHTJE-UHFFFAOYSA-N 0 0 237.284 2.393 50 0 BEAARN Cc1cccc(C(=O)NC2=NC[C@H](C)S2)c1 ZINC000003074014 179014376 /nfs/dbraw/zinc/01/43/76/179014376.db2.gz GVKJNVLGYLXAPX-VIFPVBQESA-N 0 0 234.324 2.216 50 0 BEAARN CC(=O)COc1ccc(Br)cc1 ZINC000034370846 346253690 /nfs/dbraw/zinc/25/36/90/346253690.db2.gz CFPFUJANAPAZSH-UHFFFAOYSA-N 0 0 229.073 2.417 50 0 BEAARN Cc1cccc(C(=O)NCCCn2cccn2)c1 ZINC000028573370 179015817 /nfs/dbraw/zinc/01/58/17/179015817.db2.gz OJPYCVNYYCLKLP-UHFFFAOYSA-N 0 0 243.310 2.012 50 0 BEAARN Cc1cccc(C(=O)NCC2CC2)c1C ZINC000012976611 179016007 /nfs/dbraw/zinc/01/60/07/179016007.db2.gz PGTJTQKUVRMHAF-UHFFFAOYSA-N 0 0 203.285 2.443 50 0 BEAARN C[C@H]1CCO[C@@H](c2ccc3c(c2)OCO3)O1 ZINC000005376278 346262375 /nfs/dbraw/zinc/26/23/75/346262375.db2.gz UHMDSJXMGSTUIG-QPUJVOFHSA-N 0 0 222.240 2.239 50 0 BEAARN Cc1cccc(C(=O)NCc2ccncc2)c1 ZINC000004676673 179019757 /nfs/dbraw/zinc/01/97/57/179019757.db2.gz IFVQJFBQGUTXFE-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1ccsc1/C=C1/SC(=N)NC1=O ZINC000005603293 346280331 /nfs/dbraw/zinc/28/03/31/346280331.db2.gz NFDAWATZLGKCQD-QPJJXVBHSA-N 0 0 224.310 2.195 50 0 BEAARN Cc1cccc(C)c1C(=O)N[C@@H](C)c1ncon1 ZINC000095994429 179031429 /nfs/dbraw/zinc/03/14/29/179031429.db2.gz JONQGUYAKLLOFZ-JTQLQIEISA-N 0 0 245.282 2.177 50 0 BEAARN Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000006207582 179034964 /nfs/dbraw/zinc/03/49/64/179034964.db2.gz VOCFXYDRCRGQNS-CYBMUJFWSA-N 0 0 233.311 2.352 50 0 BEAARN Cc1cccc(C(C)(C)C)c1OCC(N)=O ZINC000033433527 179027141 /nfs/dbraw/zinc/02/71/41/179027141.db2.gz AWASRJGZPTYFGM-UHFFFAOYSA-N 0 0 221.300 2.157 50 0 BEAARN CC(=O)C(Cc1ccc(Cl)nc1)C(C)=O ZINC000026544914 187320427 /nfs/dbraw/zinc/32/04/27/187320427.db2.gz FAPLXZJPVYPVCR-UHFFFAOYSA-N 0 0 225.675 2.072 50 0 BEAARN C/C=C/C=C\C(=O)Nc1nc(C)ccc1OC ZINC000221819392 187320482 /nfs/dbraw/zinc/32/04/82/187320482.db2.gz SAGXVRSWSDGOLA-DEQVHDEQSA-N 0 0 232.283 2.469 50 0 BEAARN Cc1cccc(CC(=O)NCc2cccnc2)c1 ZINC000074825305 179052858 /nfs/dbraw/zinc/05/28/58/179052858.db2.gz WBSWSCWKHXDECG-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN Cc1ccc(NC(=O)CSC(N)=O)cc1C ZINC000000034131 346402553 /nfs/dbraw/zinc/40/25/53/346402553.db2.gz ANOGWOBXOCFAEU-UHFFFAOYSA-N 0 0 238.312 2.054 50 0 BEAARN C[C@@H]1OC(C)(c2cccc(O)c2)O[C@H]1C ZINC000000399060 346416601 /nfs/dbraw/zinc/41/66/01/346416601.db2.gz ANNCTEFTJPKYBJ-IUCAKERBSA-N 0 0 208.257 2.389 50 0 BEAARN CN(C)c1nnnc2c3ccccc3sc21 ZINC000000482047 346417212 /nfs/dbraw/zinc/41/72/12/346417212.db2.gz QKSQPHZMTRGLLY-UHFFFAOYSA-N 0 0 230.296 2.306 50 0 BEAARN CC(C)(C)C(=O)NCc1ccc(F)cc1 ZINC000000405600 346418667 /nfs/dbraw/zinc/41/86/67/346418667.db2.gz HVYVIBDTVNXOAV-UHFFFAOYSA-N 0 0 209.264 2.488 50 0 BEAARN CC(C)C[C@H](NC(N)=O)c1ccccc1 ZINC000000439019 346418754 /nfs/dbraw/zinc/41/87/54/346418754.db2.gz HTSFLMWCOIGAMV-NSHDSACASA-N 0 0 206.289 2.442 50 0 BEAARN COC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000000998101 346427597 /nfs/dbraw/zinc/42/75/97/346427597.db2.gz NJCWXURSQLXJEG-UHFFFAOYSA-N 0 0 243.284 2.330 50 0 BEAARN Cc1cccc(CNC(=O)C2CCC2)c1 ZINC000032760726 179085585 /nfs/dbraw/zinc/08/55/85/179085585.db2.gz ATOJFXLYHKHUMU-UHFFFAOYSA-N 0 0 203.285 2.411 50 0 BEAARN C[C@H](C(=O)[O-])[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000082343102 537982228 /nfs/dbraw/zinc/98/22/28/537982228.db2.gz HBRSSCLTCVYAAK-WCQYABFASA-N 0 0 233.311 2.229 50 0 BEAARN Cc1cccc(NC(=O)C(=O)NCC(C)C)c1C ZINC000005184236 179125097 /nfs/dbraw/zinc/12/50/97/179125097.db2.gz KQKRKLMMXQMMGZ-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN Cc1cccc(NC(=O)C(=O)c2cccn2C)c1 ZINC000065084031 179125636 /nfs/dbraw/zinc/12/56/36/179125636.db2.gz JIQCLMYDSGUHBV-UHFFFAOYSA-N 0 0 242.278 2.155 50 0 BEAARN CCCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000004777401 346607424 /nfs/dbraw/zinc/60/74/24/346607424.db2.gz BKADZQMMFGCDLU-QWRGUYRKSA-N 0 0 213.321 2.203 50 0 BEAARN C/C(C(=O)N(C)C)=C(\C)c1nc2ccccc2[nH]1 ZINC000051050391 346613489 /nfs/dbraw/zinc/61/34/89/346613489.db2.gz ORHBNEMVHZFZLR-KTKRTIGZSA-N 0 0 243.310 2.445 50 0 BEAARN COC(=O)CSCc1ccc(C)cc1 ZINC000006788295 346654614 /nfs/dbraw/zinc/65/46/14/346654614.db2.gz BEJDOFKYBKRURF-UHFFFAOYSA-N 0 0 210.298 2.401 50 0 BEAARN Cn1ccnc1SCC(=O)C(C)(C)C ZINC000007344142 346660107 /nfs/dbraw/zinc/66/01/07/346660107.db2.gz ATSGAQUOMUPTML-UHFFFAOYSA-N 0 0 212.318 2.127 50 0 BEAARN Cc1cccc(NC(=O)NC2(C)CCC2)n1 ZINC000097142767 179133732 /nfs/dbraw/zinc/13/37/32/179133732.db2.gz ULZOPPCWGKPNQV-UHFFFAOYSA-N 0 0 219.288 2.454 50 0 BEAARN Cc1cccc(NC(=O)c2n[nH]nc2Cl)c1 ZINC000001417931 179142613 /nfs/dbraw/zinc/14/26/13/179142613.db2.gz RJANAZWRLCEZKN-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN Cc1cccc(NC(=O)c2cscn2)n1 ZINC000062658463 179142885 /nfs/dbraw/zinc/14/28/85/179142885.db2.gz CFTZXHOHBHPUGN-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1cccc(N[C@@H]2C=CS(=O)(=O)C2)c1C ZINC000002843578 179154643 /nfs/dbraw/zinc/15/46/43/179154643.db2.gz SEVZNAPWHJPPPW-LLVKDONJSA-N 0 0 237.324 2.026 50 0 BEAARN CCCC(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000035646251 168564813 /nfs/dbraw/zinc/56/48/13/168564813.db2.gz MYHSACZLXUFKMK-SECBINFHSA-N 0 0 207.273 2.479 50 0 BEAARN Cc1cccc(O)c1NC(=O)c1ccncc1F ZINC000097233745 179161869 /nfs/dbraw/zinc/16/18/69/179161869.db2.gz PDGRBWXZTBUJKY-UHFFFAOYSA-N 0 0 246.241 2.487 50 0 BEAARN Cc1nn(C)cc1C(=O)Oc1cccc(C)c1F ZINC000097055390 179162558 /nfs/dbraw/zinc/16/25/58/179162558.db2.gz LDBHLDSXGMLHET-UHFFFAOYSA-N 0 0 248.257 2.395 50 0 BEAARN Cc1cccc(OCC(=O)Nc2ccon2)c1C ZINC000016580491 179163226 /nfs/dbraw/zinc/16/32/26/179163226.db2.gz QFMOKZWQHZFJMY-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN Cc1cccc(OC[C@@H]2CN2C(C)C)c1 ZINC000019853652 179170429 /nfs/dbraw/zinc/17/04/29/179170429.db2.gz XSYUAWLBBBDAQW-NBFOIZRFSA-N 0 0 205.301 2.466 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1 ZINC000016577609 347193926 /nfs/dbraw/zinc/19/39/26/347193926.db2.gz XOWXYIUZPZVSRP-SECBINFHSA-N 0 0 245.319 2.044 50 0 BEAARN Cc1c(N)cnn1Cc1ccc(Cl)cc1 ZINC000016970535 347216100 /nfs/dbraw/zinc/21/61/00/347216100.db2.gz SLKQURZVRNTRNU-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN CCSc1ccc(NC(=O)C(C)C)nn1 ZINC000013702044 362799630 /nfs/dbraw/zinc/79/96/30/362799630.db2.gz YZOPZVHHRHITMF-UHFFFAOYSA-N 0 0 225.317 2.183 50 0 BEAARN Cc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)[O-])c1C ZINC000261567825 179196133 /nfs/dbraw/zinc/19/61/33/179196133.db2.gz FEIAWAAKHWUUPE-QWRGUYRKSA-N 0 0 221.300 2.427 50 0 BEAARN CC[C@@H](C)NC(=O)NCc1cccs1 ZINC000013745905 362801669 /nfs/dbraw/zinc/80/16/69/362801669.db2.gz RXLQVULSKVLXHY-MRVPVSSYSA-N 0 0 212.318 2.346 50 0 BEAARN Cn1ccc(C(=O)NCc2ccc(Cl)cc2)n1 ZINC000005749009 347257140 /nfs/dbraw/zinc/25/71/40/347257140.db2.gz CMNZPYQJLDJXML-UHFFFAOYSA-N 0 0 249.701 2.004 50 0 BEAARN Fc1cnc(Cl)nc1OC1CCC1 ZINC000085754814 347318579 /nfs/dbraw/zinc/31/85/79/347318579.db2.gz APUYEPKEAQVHKI-UHFFFAOYSA-N 0 0 202.616 2.200 50 0 BEAARN C[C@H](C(=O)N(C)c1ccccc1)n1cccn1 ZINC000012987491 347471645 /nfs/dbraw/zinc/47/16/45/347471645.db2.gz GHVQVZAJCYTAKH-LLVKDONJSA-N 0 0 229.283 2.107 50 0 BEAARN Cc1ccccc1C(=O)N1C[C@H](C)OC[C@H]1C ZINC000045523727 179248880 /nfs/dbraw/zinc/24/88/80/179248880.db2.gz IIICNVPJOBTBDZ-NEPJUHHUSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1ccccc1C(=O)NCCc1ccccn1 ZINC000033028138 179250162 /nfs/dbraw/zinc/25/01/62/179250162.db2.gz FUCALFFOTMYIBK-UHFFFAOYSA-N 0 0 240.306 2.363 50 0 BEAARN Cc1[nH]c2ccccc2c1CN1CCOCC1 ZINC000019790430 347517230 /nfs/dbraw/zinc/51/72/30/347517230.db2.gz GPWGUWLGMRZFLI-UHFFFAOYSA-N 0 0 230.311 2.309 50 0 BEAARN CCn1nc(C)cc1C(=O)OCC=C(C)C ZINC000195549707 347641338 /nfs/dbraw/zinc/64/13/38/347641338.db2.gz MEKYSTVHNKQACH-UHFFFAOYSA-N 0 0 222.288 2.334 50 0 BEAARN CCCc1n[nH]cc1C(=O)N(C)CC(C)(C)C ZINC000195567386 347647291 /nfs/dbraw/zinc/64/72/91/347647291.db2.gz GJVYEOGSQHRKGS-UHFFFAOYSA-N 0 0 237.347 2.480 50 0 BEAARN Cc1ccccc1CNC(=O)c1ccccn1 ZINC000007976853 179281566 /nfs/dbraw/zinc/28/15/66/179281566.db2.gz LNCOPUSCHSJTCI-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000100562490 179296261 /nfs/dbraw/zinc/29/62/61/179296261.db2.gz QLFMLNSQOPZXGE-RYUDHWBXSA-N 0 0 241.290 2.451 50 0 BEAARN Cc1ccccc1Cc1sc(N)nc1N ZINC000006504708 179291983 /nfs/dbraw/zinc/29/19/83/179291983.db2.gz OGUZVOCKLHMGHI-SECBINFHSA-N 0 0 219.313 2.155 50 0 BEAARN Cc1ccccc1NC(=O)CNCc1ccco1 ZINC000002655703 179298515 /nfs/dbraw/zinc/29/85/15/179298515.db2.gz LZNINCVHOXETDC-UHFFFAOYSA-N 0 0 244.294 2.316 50 0 BEAARN Cc1ccccc1Nc1ncnc2c1cnn2C ZINC000000838235 179308547 /nfs/dbraw/zinc/30/85/47/179308547.db2.gz HDLMKZFSQQAMKU-UHFFFAOYSA-N 0 0 239.282 2.415 50 0 BEAARN Cc1ccccc1OCC(=O)Nc1cnoc1 ZINC000075170841 179309951 /nfs/dbraw/zinc/30/99/51/179309951.db2.gz UJYNTCIMHCAHQP-UHFFFAOYSA-N 0 0 232.239 2.001 50 0 BEAARN Cc1ccccc1Oc1ncccc1C(N)=O ZINC000008716884 179313935 /nfs/dbraw/zinc/31/39/35/179313935.db2.gz BRQQXCAJZCWSEC-UHFFFAOYSA-N 0 0 228.251 2.281 50 0 BEAARN Cc1ccccc1Oc1cc[n+]([O-])cc1 ZINC000071773164 179314486 /nfs/dbraw/zinc/31/44/86/179314486.db2.gz VGWPKHNELZKGEJ-UHFFFAOYSA-N 0 0 201.225 2.421 50 0 BEAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccon1 ZINC000016605510 179312516 /nfs/dbraw/zinc/31/25/16/179312516.db2.gz PLKCVAHHWIKMKY-SNVBAGLBSA-N 0 0 246.266 2.389 50 0 BEAARN Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCO1 ZINC000012982564 179319593 /nfs/dbraw/zinc/31/95/93/179319593.db2.gz UOFWAPXVZQBOSB-YPMHNXCESA-N 0 0 233.311 2.351 50 0 BEAARN Cc1cccn2cc(C(=O)NCC(C)C)nc12 ZINC000064543016 179357413 /nfs/dbraw/zinc/35/74/13/179357413.db2.gz TWAJFZSINYNUEX-UHFFFAOYSA-N 0 0 231.299 2.029 50 0 BEAARN Cc1cccnc1NC(=O)NCc1ccco1 ZINC000042840211 179391748 /nfs/dbraw/zinc/39/17/48/179391748.db2.gz BCEVQJAMSHFLFJ-UHFFFAOYSA-N 0 0 231.255 2.305 50 0 BEAARN Cc1cccnc1NC(=O)c1ccoc1 ZINC000027652038 179393927 /nfs/dbraw/zinc/39/39/27/179393927.db2.gz XLIMPADUPXTINZ-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]1(CC)C(C)C ZINC000669383086 538007106 /nfs/dbraw/zinc/00/71/06/538007106.db2.gz GCSKYMVAGIXNJK-WDEREUQCSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1cnc(C)c(-c2ccc(O)cc2)n1 ZINC000067894336 179578751 /nfs/dbraw/zinc/57/87/51/179578751.db2.gz TYFHIGCDHNZOSE-UHFFFAOYSA-N 0 0 200.241 2.466 50 0 BEAARN C[C@H](c1ccccc1)N1CC(=O)C(C)(C)C1=O ZINC000034516468 348627299 /nfs/dbraw/zinc/62/72/99/348627299.db2.gz ADMUDBDDWUZHPO-SNVBAGLBSA-N 0 0 231.295 2.185 50 0 BEAARN Cc1cnc(NC(=O)c2ccc(F)cc2)o1 ZINC000001516894 179630802 /nfs/dbraw/zinc/63/08/02/179630802.db2.gz JIDKVELSBXOGNU-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN C[C@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000005370749 348778635 /nfs/dbraw/zinc/77/86/35/348778635.db2.gz HMITUJGNRCASQV-ZJUUUORDSA-N 0 0 207.273 2.200 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@@]1(C)CC(C)C ZINC000669383575 538011344 /nfs/dbraw/zinc/01/13/44/538011344.db2.gz JNWNBFIQCBSBMB-QWRGUYRKSA-N 0 0 200.278 2.143 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@]1(C)CC(C)C ZINC000669383574 538010994 /nfs/dbraw/zinc/01/09/94/538010994.db2.gz JNWNBFIQCBSBMB-MNOVXSKESA-N 0 0 200.278 2.143 50 0 BEAARN Cc1csc(NC(=O)c2ccccc2O)n1 ZINC000008768871 179789396 /nfs/dbraw/zinc/78/93/96/179789396.db2.gz ADUGLBMXHCZAMF-UHFFFAOYSA-N 0 0 234.280 2.409 50 0 BEAARN Cc1csc(NC(=O)c2ccncc2)n1 ZINC000000973646 179789468 /nfs/dbraw/zinc/78/94/68/179789468.db2.gz KQKQZIGQNNYVRQ-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN O=C([C@@H]1OCCc2ccccc21)N1CCCCC1 ZINC000016857417 362943122 /nfs/dbraw/zinc/94/31/22/362943122.db2.gz KQXOERSNNFSOLI-CQSZACIVSA-N 0 0 245.322 2.313 50 0 BEAARN Cc1nc(-c2cc3cc(C)ccc3[nH]c2=O)no1 ZINC000009210079 190977590 /nfs/dbraw/zinc/97/75/90/190977590.db2.gz GWYLAFYNBXGEMO-UHFFFAOYSA-N 0 0 241.250 2.195 50 0 BEAARN CC(C)Cn1cc2c(n1)[nH]c(=O)cc2C(F)F ZINC000012397846 190979364 /nfs/dbraw/zinc/97/93/64/190979364.db2.gz ZPKDGLWKJONDNI-UHFFFAOYSA-N 0 0 241.241 2.318 50 0 BEAARN Cc1nc(C(=O)NC2CCCCCC2)co1 ZINC000022606275 179881511 /nfs/dbraw/zinc/88/15/11/179881511.db2.gz YLQXWHKALUQVLG-UHFFFAOYSA-N 0 0 222.288 2.436 50 0 BEAARN Cc1nc(C(=O)Nc2ccccc2F)co1 ZINC000022606346 179890690 /nfs/dbraw/zinc/89/06/90/179890690.db2.gz TWVXUDFAYMGQOQ-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN NNc1cc(Br)ccc1Cl ZINC000061691106 349389778 /nfs/dbraw/zinc/38/97/78/349389778.db2.gz ATAKTPBQJCJKCX-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN Cc1nc(C)c(C(=O)N2CCCCC2)s1 ZINC000065621634 179899392 /nfs/dbraw/zinc/89/93/92/179899392.db2.gz QHYXGTIJRMGVID-UHFFFAOYSA-N 0 0 224.329 2.386 50 0 BEAARN Cc1nc(C)c(C(=O)NC(C)(C)C)s1 ZINC000048331622 179901008 /nfs/dbraw/zinc/90/10/08/179901008.db2.gz MWBJQZIPHWLQBI-UHFFFAOYSA-N 0 0 212.318 2.288 50 0 BEAARN Cc1nc(C2CCCC2)sc1C(N)=O ZINC000089559301 179927828 /nfs/dbraw/zinc/92/78/28/179927828.db2.gz PYRCYWNNYKCMQN-UHFFFAOYSA-N 0 0 210.302 2.208 50 0 BEAARN CC(C)CNC(=O)CCc1ccc2c(c1)OCO2 ZINC000062063055 191001007 /nfs/dbraw/zinc/00/10/07/191001007.db2.gz AJFSLACTVIYWHG-UHFFFAOYSA-N 0 0 249.310 2.120 50 0 BEAARN CC(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000007214558 350081486 /nfs/dbraw/zinc/08/14/86/350081486.db2.gz UATCJXIKSGNDLU-LLVKDONJSA-N 0 0 219.284 2.282 50 0 BEAARN Cc1cc(I)cc(C)n1 ZINC000072232704 191004259 /nfs/dbraw/zinc/00/42/59/191004259.db2.gz DXTDZBSTWOXMNU-UHFFFAOYSA-N 0 0 233.052 2.303 50 0 BEAARN Cc1ccc(C(=O)OCc2noc(C)n2)s1 ZINC000071810712 179978196 /nfs/dbraw/zinc/97/81/96/179978196.db2.gz VGTXOTVOCSGQFE-UHFFFAOYSA-N 0 0 238.268 2.105 50 0 BEAARN Cc1nc(CSc2nnc(N)s2)cs1 ZINC000001422657 179982921 /nfs/dbraw/zinc/98/29/21/179982921.db2.gz LMRBXUQMWJJWBE-UHFFFAOYSA-N 0 0 244.370 2.178 50 0 BEAARN Cc1nc(Cl)cc(N[C@H](CCO)C(C)C)n1 ZINC000096429768 179990171 /nfs/dbraw/zinc/99/01/71/179990171.db2.gz QFGIJHCQKSASIP-SECBINFHSA-N 0 0 243.738 2.257 50 0 BEAARN Cc1nc(N2CCCC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000010157008 180000714 /nfs/dbraw/zinc/00/07/14/180000714.db2.gz XKJAESFFNOOAJN-VIFPVBQESA-N 0 0 245.326 2.150 50 0 BEAARN Cc1nc(NC(C)C)sc1C(=O)NC1CC1 ZINC000049551073 180016122 /nfs/dbraw/zinc/01/61/22/180016122.db2.gz AQVXEHVTUJCXTJ-UHFFFAOYSA-N 0 0 239.344 2.164 50 0 BEAARN Cc1nnc([C@@H](C)Nc2ccc3cc[nH]c3n2)[nH]1 ZINC000072158789 180036937 /nfs/dbraw/zinc/03/69/37/180036937.db2.gz MFWPMRYQRBMAFF-SSDOTTSWSA-N 0 0 242.286 2.163 50 0 BEAARN CCOC(=O)c1c(F)nccc1C(F)(F)F ZINC000309175963 350120041 /nfs/dbraw/zinc/12/00/41/350120041.db2.gz WXIKSZZHKUGUNZ-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN COc1ncccc1-c1nc(C)nc2c1CCC2 ZINC000426406327 191029412 /nfs/dbraw/zinc/02/94/12/191029412.db2.gz RISPBNDNQHSCIT-UHFFFAOYSA-N 0 0 241.294 2.344 50 0 BEAARN Cc1nc2c(c(NCc3ccccn3)n1)CCC2 ZINC000011907707 180069637 /nfs/dbraw/zinc/06/96/37/180069637.db2.gz FFOBHHKESZMHRD-UHFFFAOYSA-N 0 0 240.310 2.281 50 0 BEAARN Cc1nc2n(n1)[C@@H](c1cccs1)C[C@H](C)N2 ZINC000095471675 180114996 /nfs/dbraw/zinc/11/49/96/180114996.db2.gz HMXQNWJJFLYVST-IONNQARKSA-N 0 0 234.328 2.442 50 0 BEAARN Cc1nc2[nH]cnc2cc1Br ZINC000000434112 180114663 /nfs/dbraw/zinc/11/46/63/180114663.db2.gz ZZFKQUTYXXPQBS-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1ncc(C(=O)N[C@H]2CC[C@@H](F)C2)s1 ZINC000336443266 180134010 /nfs/dbraw/zinc/13/40/10/180134010.db2.gz BGUBYWGFBZZGFJ-SFYZADRCSA-N 0 0 228.292 2.072 50 0 BEAARN Cc1nc2ncnn2c(NC2CCCCC2)c1C ZINC000001326156 180115886 /nfs/dbraw/zinc/11/58/86/180115886.db2.gz GTQXFHYDBXATNO-UHFFFAOYSA-N 0 0 245.330 2.486 50 0 BEAARN Cc1nc2sc3c(c2c2nncn21)CCC3 ZINC000000192607 180116889 /nfs/dbraw/zinc/11/68/89/180116889.db2.gz QURFPWKYRCLBHL-UHFFFAOYSA-N 0 0 230.296 2.136 50 0 BEAARN COc1cc(Br)c(N)cc1C ZINC000098180672 191061962 /nfs/dbraw/zinc/06/19/62/191061962.db2.gz QZQKPBRFXIXISZ-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN C=COCCOC(=O)c1cc(F)cc(F)c1 ZINC000097113113 191058396 /nfs/dbraw/zinc/05/83/96/191058396.db2.gz OQAOCYAKOIIHTA-UHFFFAOYSA-N 0 0 228.194 2.282 50 0 BEAARN CC(C)CS[C@@H](C)C(=O)NCC(F)(F)F ZINC000097173519 191058830 /nfs/dbraw/zinc/05/88/30/191058830.db2.gz LBIMXZRYKVPQDE-ZETCQYMHSA-N 0 0 243.294 2.443 50 0 BEAARN CCc1cnccc1C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000097113102 191059003 /nfs/dbraw/zinc/05/90/03/191059003.db2.gz PKZUPZILJHEZQJ-PWSUYJOCSA-N 0 0 249.310 2.368 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CC[C@@](C)(O)CC1 ZINC000103016199 191065656 /nfs/dbraw/zinc/06/56/56/191065656.db2.gz DZKXFTPOGGFHOX-OTCDBFHCSA-N 0 0 229.320 2.205 50 0 BEAARN Cc1ncc([C@](C)(O)c2ccccc2)c(C)n1 ZINC000000407503 180175799 /nfs/dbraw/zinc/17/57/99/180175799.db2.gz WDTQRIDYGGKBLN-CQSZACIVSA-N 0 0 228.295 2.349 50 0 BEAARN C[C@@H](O)c1cc(Br)cnc1F ZINC000032914800 350214554 /nfs/dbraw/zinc/21/45/54/350214554.db2.gz WWCXWHCEIGTHSO-SCSAIBSYSA-N 0 0 220.041 2.037 50 0 BEAARN Cc1ncccc1CN1C[C@H](C)OCC1(C)C ZINC000097139426 180221046 /nfs/dbraw/zinc/22/10/46/180221046.db2.gz VEFDGPLWHWDFNT-NSHDSACASA-N 0 0 234.343 2.389 50 0 BEAARN Cc1nsc(NC(=O)c2ccccc2F)n1 ZINC000027664583 350313566 /nfs/dbraw/zinc/31/35/66/350313566.db2.gz NAKUHDIBSXSBQJ-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN Cc1nonc1NC(=O)c1cccc(Cl)c1 ZINC000027662824 350313674 /nfs/dbraw/zinc/31/36/74/350313674.db2.gz RJALSDSCZDCKMW-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN COc1cccc(OC)c1-c1nccnc1OC ZINC000426506554 191093691 /nfs/dbraw/zinc/09/36/91/191093691.db2.gz FSNXWARHXMKZRC-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN Cc1ncsc1-c1nc(-c2cocn2)no1 ZINC000225553026 180301841 /nfs/dbraw/zinc/30/18/41/180301841.db2.gz DIQGDPYNAIMTAG-UHFFFAOYSA-N 0 0 234.240 2.157 50 0 BEAARN Cc1ncsc1C(=O)OC[C@H]1CCCCO1 ZINC000071970804 180307853 /nfs/dbraw/zinc/30/78/53/180307853.db2.gz UZUNGVMMTVMSIZ-SECBINFHSA-N 0 0 241.312 2.177 50 0 BEAARN Cc1nn(-c2cc(=S)[nH]cn2)c2c1CCC2 ZINC000045918653 180327724 /nfs/dbraw/zinc/32/77/24/180327724.db2.gz NCNLNVWCJOGPCL-UHFFFAOYSA-N 0 0 232.312 2.122 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)Nc1ccccc1 ZINC000012978278 180334475 /nfs/dbraw/zinc/33/44/75/180334475.db2.gz PVAREJDJSSOKCX-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN Cc1nn(C)c2[nH]c(=O)cc(-c3ccccc3)c12 ZINC000012444737 180361529 /nfs/dbraw/zinc/36/15/29/180361529.db2.gz YTNGKVDMSUPIDL-UHFFFAOYSA-N 0 0 239.278 2.237 50 0 BEAARN Cc1nn(C)c2ncc(NC(=O)C(C)(C)C)cc12 ZINC000012925477 180365477 /nfs/dbraw/zinc/36/54/77/180365477.db2.gz SHJFUCVMOMBCML-UHFFFAOYSA-N 0 0 246.314 2.261 50 0 BEAARN O=C(O[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000034116938 350463642 /nfs/dbraw/zinc/46/36/42/350463642.db2.gz DQJWAUDLUKISHH-NEPJUHHUSA-N 0 0 220.268 2.147 50 0 BEAARN Cc1nn(C)cc1CN(C)C(=O)C1CCCCC1 ZINC000012064983 180372034 /nfs/dbraw/zinc/37/20/34/180372034.db2.gz FQYPVMYTTOLXJW-UHFFFAOYSA-N 0 0 249.358 2.267 50 0 BEAARN Cc1nn(C)cc1NC(=O)C1CCCCC1 ZINC000032610763 180376722 /nfs/dbraw/zinc/37/67/22/180376722.db2.gz DLLRHHWLWZFKCZ-UHFFFAOYSA-N 0 0 221.304 2.247 50 0 BEAARN Cc1nnc(-c2cncc(Br)c2)o1 ZINC000044672090 180396151 /nfs/dbraw/zinc/39/61/51/180396151.db2.gz QOWXQGKJEUSYGT-UHFFFAOYSA-N 0 0 240.060 2.203 50 0 BEAARN Cc1nn(CN2CCCCC2)c(=S)s1 ZINC000020427162 180389368 /nfs/dbraw/zinc/38/93/68/180389368.db2.gz PJQYESNPYKJLSH-UHFFFAOYSA-N 0 0 229.374 2.426 50 0 BEAARN CS[C@@H]1CCC[C@@H]1N(C)C(=O)NC1CC1 ZINC000076092171 362970963 /nfs/dbraw/zinc/97/09/63/362970963.db2.gz KHIOEEVGRLXWQS-VHSXEESVSA-N 0 0 228.361 2.074 50 0 BEAARN CS[C@@H]1CCC[C@H]1N(C)C(=O)NC1CC1 ZINC000076092169 362970292 /nfs/dbraw/zinc/97/02/92/362970292.db2.gz KHIOEEVGRLXWQS-NXEZZACHSA-N 0 0 228.361 2.074 50 0 BEAARN CC(C)(c1nn[nH]n1)c1ccccc1Cl ZINC000095204249 350656463 /nfs/dbraw/zinc/65/64/63/350656463.db2.gz YBMGYZFGRGCMPA-UHFFFAOYSA-N 0 0 222.679 2.179 50 0 BEAARN Cc1noc([C@H]2CCCCN2CC(F)(F)F)n1 ZINC000067350481 180500874 /nfs/dbraw/zinc/50/08/74/180500874.db2.gz IAUANWLQBMLWFH-MRVPVSSYSA-N 0 0 249.236 2.467 50 0 BEAARN COc1ccc(/C=C2\CCCOC2=O)cc1 ZINC000001021393 350986270 /nfs/dbraw/zinc/98/62/70/350986270.db2.gz TZQCWGJVIDIVCF-PKNBQFBNSA-N 0 0 218.252 2.416 50 0 BEAARN C[C@@H](c1ccc(C(N)=O)cc1)C(F)(F)F ZINC000167956206 351050389 /nfs/dbraw/zinc/05/03/89/351050389.db2.gz KZCSWZNEJNDWHS-LURJTMIESA-N 0 0 217.190 2.451 50 0 BEAARN CC(=O)N(C)c1nc(C)c(Br)s1 ZINC000005921720 351319980 /nfs/dbraw/zinc/31/99/80/351319980.db2.gz ZXGQJKMQPBWHGB-UHFFFAOYSA-N 0 0 249.133 2.197 50 0 BEAARN O=C(CCC1CCCC1)NC[C@H]1CCCO1 ZINC000001217949 351422072 /nfs/dbraw/zinc/42/20/72/351422072.db2.gz CZMGFDDSABKECR-GFCCVEGCSA-N 0 0 225.332 2.252 50 0 BEAARN Clc1cnc(N2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000336474699 180598438 /nfs/dbraw/zinc/59/84/38/180598438.db2.gz PKKNDDKUXLHLLU-IUCAKERBSA-N 0 0 223.707 2.366 50 0 BEAARN Clc1cncc(I)c1 ZINC000006643288 180599293 /nfs/dbraw/zinc/59/92/93/180599293.db2.gz JZMJGLPDACZKBC-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN Clc1cnccc1I ZINC000008251257 180600417 /nfs/dbraw/zinc/60/04/17/180600417.db2.gz SQXBYRRNGPVSAU-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN C1CC1c1noc(N[C@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000230090629 191138612 /nfs/dbraw/zinc/13/86/12/191138612.db2.gz XZBKCWOLPLCESY-DCAQKATOSA-N 0 0 249.314 2.317 50 0 BEAARN O=C1NC(=O)C(=Cc2ccc(F)cc2F)S1 ZINC000012485021 351597721 /nfs/dbraw/zinc/59/77/21/351597721.db2.gz NQPOASFVPDVMMW-BAQGIRSFSA-N 0 0 241.218 2.289 50 0 BEAARN CCCCOc1ccc(CO)cc1OC ZINC000002875625 363081072 /nfs/dbraw/zinc/08/10/72/363081072.db2.gz JDLYJGGLDSBNMX-UHFFFAOYSA-N 0 0 210.273 2.366 50 0 BEAARN Cn1cc(N)c(Oc2ccc(Cl)cc2)n1 ZINC000095836635 180655361 /nfs/dbraw/zinc/65/53/61/180655361.db2.gz IMZUNWBNAWDZDM-UHFFFAOYSA-N 0 0 223.663 2.448 50 0 BEAARN CCc1cnccc1NC(=O)C1(COC)CCC1 ZINC000284415830 351997284 /nfs/dbraw/zinc/99/72/84/351997284.db2.gz RVSNCMBEFZRDKY-UHFFFAOYSA-N 0 0 248.326 2.399 50 0 BEAARN CC(C)(C)c1ccc(OS(C)(=O)=O)cc1 ZINC000003086355 187584666 /nfs/dbraw/zinc/58/46/66/187584666.db2.gz AVIDGKOMVYPADX-UHFFFAOYSA-N 0 0 228.313 2.323 50 0 BEAARN CC(=O)NCc1ccccc1OC(F)(F)F ZINC000040476218 187601121 /nfs/dbraw/zinc/60/11/21/187601121.db2.gz LYYBXRRVIOTZML-UHFFFAOYSA-N 0 0 233.189 2.221 50 0 BEAARN CC(=O)NCc1cccn1Cc1ccccc1F ZINC000021535033 187592089 /nfs/dbraw/zinc/59/20/89/187592089.db2.gz FBRVDLQQTZCUNG-UHFFFAOYSA-N 0 0 246.285 2.312 50 0 BEAARN CC(C)[C@H]([NH2+]C/C=C/c1ccccc1)C(=O)[O-] ZINC000035406887 187594804 /nfs/dbraw/zinc/59/48/04/187594804.db2.gz PCVKXHHHEIEDHS-PPGNKHEKSA-N 0 0 233.311 2.399 50 0 biogenic BEAARN C/C=C/C=C/C(=O)Nc1ccc(=O)n(CCC)c1 ZINC000058230028 187613405 /nfs/dbraw/zinc/61/34/05/187613405.db2.gz KQEUQNZWNUBRRL-TWTPFVCWSA-N 0 0 246.310 2.329 50 0 BEAARN Fc1cc(Br)cc2[nH]cnc21 ZINC000088190127 187625925 /nfs/dbraw/zinc/62/59/25/187625925.db2.gz SXZLNXMSFJVBOQ-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Clc1nc2cc(Br)ccn2n1 ZINC000216739036 363125112 /nfs/dbraw/zinc/12/51/12/363125112.db2.gz QUDYNCCTXPWRNB-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN CC(=O)CSc1nnc(-c2ccco2)o1 ZINC000004740812 187644907 /nfs/dbraw/zinc/64/49/07/187644907.db2.gz GDCKZVFRYLXEQE-UHFFFAOYSA-N 0 0 224.241 2.011 50 0 BEAARN Cn1ccc(NC(=O)c2cccc(Cl)c2)n1 ZINC000014857422 180711463 /nfs/dbraw/zinc/71/14/63/180711463.db2.gz OPXVRECCWLWERE-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN CC=CC=CC(=O)Nc1cc(CCC)[nH]n1 ZINC000096405472 187673244 /nfs/dbraw/zinc/67/32/44/187673244.db2.gz QYXFOMJWWMPMRA-GMWFMGJWSA-N 0 0 219.288 2.433 50 0 BEAARN COc1ccc(C)nc1NC(=O)NCC(C)C ZINC000097378652 187674841 /nfs/dbraw/zinc/67/48/41/187674841.db2.gz WAAOKLMRSNWJPH-UHFFFAOYSA-N 0 0 237.303 2.176 50 0 BEAARN CC(C)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000003881195 352384834 /nfs/dbraw/zinc/38/48/34/352384834.db2.gz KBPJBYLSLYYSCR-SECBINFHSA-N 0 0 231.299 2.396 50 0 BEAARN CC(=O)c1nc2cc(C)ccc2nc1C ZINC000604941580 352408074 /nfs/dbraw/zinc/40/80/74/352408074.db2.gz KUZYWFVQKCSDLA-UHFFFAOYSA-N 0 0 200.241 2.449 50 0 BEAARN CC(C)C(=O)N(C)CCOc1ccccc1F ZINC000044874030 352470521 /nfs/dbraw/zinc/47/05/21/352470521.db2.gz MUAQSARGXHMHIM-UHFFFAOYSA-N 0 0 239.290 2.319 50 0 BEAARN CCN(CC)C(=O)CCc1ccccc1O ZINC000044895404 352487040 /nfs/dbraw/zinc/48/70/40/352487040.db2.gz PTHMTFUABRKRPO-UHFFFAOYSA-N 0 0 221.300 2.193 50 0 BEAARN COC(OC)(OC)c1ccc(Cl)cc1 ZINC000039201574 352586322 /nfs/dbraw/zinc/58/63/22/352586322.db2.gz TWUAATUKQFPYJN-UHFFFAOYSA-N 0 0 216.664 2.390 50 0 BEAARN CC(C)=CC/C=C1/CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000004026217 352588751 /nfs/dbraw/zinc/58/87/51/352588751.db2.gz XPGHNXMVHVOVHW-JUYDSFNJSA-N 0 0 233.311 2.342 50 0 biogenic BEAARN O=C1CCCCN1Cc1ccc(Cl)nc1 ZINC000004089592 352562649 /nfs/dbraw/zinc/56/26/49/352562649.db2.gz PTRUQENBDHGVDI-UHFFFAOYSA-N 0 0 224.691 2.248 50 0 BEAARN CC(C)c1cc(C(=O)N2CC[C@H](O)C2)cs1 ZINC000019773671 352579936 /nfs/dbraw/zinc/57/99/36/352579936.db2.gz ATQLCYUYBBBTAR-JTQLQIEISA-N 0 0 239.340 2.078 50 0 BEAARN CCCCCC[C@@H](C)n1[nH]c(=O)cc1N ZINC000002411116 168675887 /nfs/dbraw/zinc/67/58/87/168675887.db2.gz PNQUBAGJEIBGHU-SECBINFHSA-N 0 0 211.309 2.290 50 0 BEAARN Cn1cnnc1Sc1ccc(Cl)cc1N ZINC000003335957 180797313 /nfs/dbraw/zinc/79/73/13/180797313.db2.gz ORIABKKRMMFJMW-UHFFFAOYSA-N 0 0 240.719 2.202 50 0 BEAARN CC(=O)N1N=C2CCCC[C@H]2[C@H]1C(C)C ZINC000000238677 187924554 /nfs/dbraw/zinc/92/45/54/187924554.db2.gz PUAQGLLTOYVTSQ-ZYHUDNBSSA-N 0 0 208.305 2.419 50 0 BEAARN O=C(OCc1ccc(Cl)cc1)c1cnccn1 ZINC000000210875 187924587 /nfs/dbraw/zinc/92/45/87/187924587.db2.gz DTGXZNPQYCMDCM-UHFFFAOYSA-N 0 0 248.669 2.487 50 0 BEAARN CC(=O)OCC(=O)c1c(C)[nH]c2ccccc21 ZINC000000314058 187924982 /nfs/dbraw/zinc/92/49/82/187924982.db2.gz DFSKMDUCZMIAOM-UHFFFAOYSA-N 0 0 231.251 2.222 50 0 BEAARN CCC(=O)NC(=S)Nc1cccc(F)c1 ZINC000000465024 187925317 /nfs/dbraw/zinc/92/53/17/187925317.db2.gz PVCXATNFRGCKFK-UHFFFAOYSA-N 0 0 226.276 2.049 50 0 BEAARN C=CC(=O)OCC(F)(F)[C@H](F)C(F)(F)F ZINC000002584580 187926675 /nfs/dbraw/zinc/92/66/75/187926675.db2.gz LMVLEDTVXAGBJV-YFKPBYRVSA-N 0 0 236.111 2.251 50 0 BEAARN O=C1Oc2ccccc2[C@@]2(O)[C@@H]3CCCC[C@@H]3[C@H]12 ZINC000004114249 187927601 /nfs/dbraw/zinc/92/76/01/187927601.db2.gz RQWNVDAJWFMNDY-VWFLFCASSA-N 0 0 244.290 2.229 50 0 BEAARN Cc1nn(Cc2ccccc2Cl)c(=N)s1 ZINC000004323679 187928611 /nfs/dbraw/zinc/92/86/11/187928611.db2.gz SKWFIXCKTLECQV-UHFFFAOYSA-N 0 0 239.731 2.434 50 0 BEAARN CC1(C)C[C@@]2(CCO1)Nc1ccccc1C(=O)N2 ZINC000049538545 187952739 /nfs/dbraw/zinc/95/27/39/187952739.db2.gz KKHARKNKHDMMSO-AWEZNQCLSA-N 0 0 246.310 2.127 50 0 biogenic BEAARN CCCCCN1c2ccccc2C(=O)C1=O ZINC000001793680 168692426 /nfs/dbraw/zinc/69/24/26/168692426.db2.gz UGVPQGQPUANQSX-UHFFFAOYSA-N 0 0 217.268 2.406 50 0 BEAARN CC1CN(C(=O)C2(C(F)(F)F)CCC2)C1 ZINC000335578097 188001071 /nfs/dbraw/zinc/00/10/71/188001071.db2.gz YYLFZTJEMILRJD-UHFFFAOYSA-N 0 0 221.222 2.197 50 0 BEAARN Cc1cc(Cl)ccc1NC(=O)Cn1cccn1 ZINC000012908241 188006764 /nfs/dbraw/zinc/00/67/64/188006764.db2.gz NXCINXBZCZIOTC-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN CCCc1csc(CCN2CCCC2=O)n1 ZINC000096415073 188017529 /nfs/dbraw/zinc/01/75/29/188017529.db2.gz HLXFTMUDTYKGOJ-UHFFFAOYSA-N 0 0 238.356 2.261 50 0 BEAARN FC(F)(F)Oc1ccc2n[nH]cc2c1 ZINC000071790152 180887456 /nfs/dbraw/zinc/88/74/56/180887456.db2.gz UTJHKIRGHNBXRL-UHFFFAOYSA-N 0 0 202.135 2.462 50 0 BEAARN Cc1c(Cl)cccc1-n1cc([C@@H](C)O)nn1 ZINC000163366076 538112751 /nfs/dbraw/zinc/11/27/51/538112751.db2.gz VXGQVAOXHFWACE-MRVPVSSYSA-N 0 0 237.690 2.282 50 0 BEAARN CC(C)[C@@H]1Oc2cc3oc(=O)ccc3cc2C1=O ZINC000000041295 188269366 /nfs/dbraw/zinc/26/93/66/188269366.db2.gz PYTXVUBIYABGPG-AWEZNQCLSA-N 0 0 244.246 2.393 50 0 biogenic BEAARN CCn1c2ccccc2nc1[C@@H](C)NC(C)=O ZINC000000200723 188272149 /nfs/dbraw/zinc/27/21/49/188272149.db2.gz QXCMDFKDUFYDJH-SECBINFHSA-N 0 0 231.299 2.253 50 0 BEAARN CC(C)(O)C1=NO[C@@H](c2ccccc2)C1 ZINC000000298438 188272244 /nfs/dbraw/zinc/27/22/44/188272244.db2.gz QMFVYSCUGFYTEW-SNVBAGLBSA-N 0 0 205.257 2.275 50 0 BEAARN CC1(C)S[C@@H](c2ccccc2)N[C@@H]1C(=O)[O-] ZINC000000174322 188272335 /nfs/dbraw/zinc/27/23/35/188272335.db2.gz LZDQTBBSEWXLTA-ZJUUUORDSA-N 0 0 237.324 2.253 50 0 BEAARN CC(C)(O)C1=NO[C@H](c2ccccc2)C1 ZINC000000298440 188272461 /nfs/dbraw/zinc/27/24/61/188272461.db2.gz QMFVYSCUGFYTEW-JTQLQIEISA-N 0 0 205.257 2.275 50 0 BEAARN CC(=O)Nc1cc2nc(N)sc2cc1C ZINC000000330509 188272944 /nfs/dbraw/zinc/27/29/44/188272944.db2.gz DUWIACCTNKYBNV-UHFFFAOYSA-N 0 0 221.285 2.145 50 0 in-vitro BEAARN CC(=O)Nc1cc(Br)ccc1O ZINC000000616408 188273347 /nfs/dbraw/zinc/27/33/47/188273347.db2.gz QNPOKHIASGOGJQ-UHFFFAOYSA-N 0 0 230.061 2.113 50 0 BEAARN CC(=O)Nc1ccc(OC(=O)N2CCCC2)cc1 ZINC000000610204 188273350 /nfs/dbraw/zinc/27/33/50/188273350.db2.gz LTSGSFRZJKFMMU-UHFFFAOYSA-N 0 0 248.282 2.240 50 0 BEAARN CC(=O)Nc1ccccc1NC(=O)C(F)(F)F ZINC000000458390 188273465 /nfs/dbraw/zinc/27/34/65/188273465.db2.gz ARKFVSZANOZHSH-UHFFFAOYSA-N 0 0 246.188 2.146 50 0 BEAARN Cc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000000580925 188273488 /nfs/dbraw/zinc/27/34/88/188273488.db2.gz RSMNXTHGLHYVJU-UHFFFAOYSA-N 0 0 233.311 2.386 50 0 BEAARN COc1ccc(OC)c(NC(=O)C2CC2)c1 ZINC000000483540 188273619 /nfs/dbraw/zinc/27/36/19/188273619.db2.gz IBCVYNJHZCKFIG-UHFFFAOYSA-N 0 0 221.256 2.052 50 0 BEAARN C/C=C/C(=O)OCC(=O)Nc1ccccc1C ZINC000003389982 188275210 /nfs/dbraw/zinc/27/52/10/188275210.db2.gz VCEHIAKRQXKEHZ-ZZXKWVIFSA-N 0 0 233.267 2.053 50 0 BEAARN COc1ccc(CCNC(=O)C(C)(C)C)cc1 ZINC000003188273 188275314 /nfs/dbraw/zinc/27/53/14/188275314.db2.gz MMRSKCPRTULBIR-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN CC(=O)CSc1ncnc2sccc21 ZINC000003434016 188275497 /nfs/dbraw/zinc/27/54/97/188275497.db2.gz BIZLOVLCZRUSHM-UHFFFAOYSA-N 0 0 224.310 2.372 50 0 BEAARN Cc1c(NC(=O)c2cccc(C)c2)cnn1C ZINC000002800171 188275708 /nfs/dbraw/zinc/27/57/08/188275708.db2.gz ZFNHSCDHDWWIOE-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN CC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000003269044 188276041 /nfs/dbraw/zinc/27/60/41/188276041.db2.gz VEHSZAAJWDVJMS-SNVBAGLBSA-N 0 0 246.262 2.458 50 0 BEAARN O=C(NC(=O)c1ccccc1)Nc1ccncc1 ZINC000004855599 188277107 /nfs/dbraw/zinc/27/71/07/188277107.db2.gz UWNWOSDGFWOXAF-UHFFFAOYSA-N 0 0 241.250 2.044 50 0 BEAARN CC(=O)NCc1cccc(Br)c1 ZINC000012379539 188279455 /nfs/dbraw/zinc/27/94/55/188279455.db2.gz UVPIDNMBEZYIIU-UHFFFAOYSA-N 0 0 228.089 2.085 50 0 BEAARN CC(=O)Nc1ncc(C)cc1Br ZINC000012955589 188279801 /nfs/dbraw/zinc/27/98/01/188279801.db2.gz BJABQGWWODTQNB-UHFFFAOYSA-N 0 0 229.077 2.111 50 0 BEAARN O=c1oc2ccccc2c([O-])c1C[NH+]1CCCC1 ZINC000019144255 188280564 /nfs/dbraw/zinc/28/05/64/188280564.db2.gz UKVSJSFNUXSVOR-UHFFFAOYSA-N 0 0 245.278 2.094 50 0 biogenic BEAARN Cc1ccc(OCCCN2CCOCC2)c(C)c1 ZINC000019607420 188281443 /nfs/dbraw/zinc/28/14/43/188281443.db2.gz DDMUJVAMLHJAJW-UHFFFAOYSA-N 0 0 249.354 2.405 50 0 BEAARN CC(C)(C)c1nnc(Br)o1 ZINC000019511970 188281506 /nfs/dbraw/zinc/28/15/06/188281506.db2.gz UTZDIBCZHYRUKK-UHFFFAOYSA-N 0 0 205.055 2.130 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1ccc2cc[nH]c2c1 ZINC000032478316 188284142 /nfs/dbraw/zinc/28/41/42/188284142.db2.gz WCAFAPVWSSJYFY-LBPRGKRZSA-N 0 0 244.294 2.077 50 0 BEAARN C[C@@H]1C=CC[C@]2(CO)CCCC[C@]12CO ZINC000071785601 188288607 /nfs/dbraw/zinc/28/86/07/188288607.db2.gz JLKVJWCLUADERS-AGIUHOORSA-N 0 0 210.317 2.114 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000048056634 188297762 /nfs/dbraw/zinc/29/77/62/188297762.db2.gz BBMPPFABSXELKV-GWCFXTLKSA-N 0 0 241.331 2.016 50 0 BEAARN CCn1cc(Br)cc1C(=O)OC ZINC000069565763 188304632 /nfs/dbraw/zinc/30/46/32/188304632.db2.gz KSTXOCIEUQYFAF-UHFFFAOYSA-N 0 0 232.077 2.057 50 0 BEAARN COc1cc(OC)cc(-c2ccc(OC)nn2)c1 ZINC000067872805 188304677 /nfs/dbraw/zinc/30/46/77/188304677.db2.gz FFCQLPADGKTYEI-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN O=c1[nH]ncc(NCC2CCCCC2)c1Cl ZINC000069561126 188304698 /nfs/dbraw/zinc/30/46/98/188304698.db2.gz VBUHBWAZNZGQCU-UHFFFAOYSA-N 0 0 241.722 2.416 50 0 BEAARN CC(=O)Nc1cc(Br)cnc1C ZINC000095930028 188321293 /nfs/dbraw/zinc/32/12/93/188321293.db2.gz RVTYXFKKBCBRPZ-UHFFFAOYSA-N 0 0 229.077 2.111 50 0 BEAARN O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O ZINC000100004920 188322327 /nfs/dbraw/zinc/32/23/27/188322327.db2.gz AVBSIKMUAFYZAV-UHFFFAOYSA-N 0 0 231.038 2.348 50 0 aggregator,in-vivo BEAARN FCCOc1ccc(OCCF)cc1 ZINC000002810160 180936450 /nfs/dbraw/zinc/93/64/50/180936450.db2.gz ZHSZKQOTXYZORT-UHFFFAOYSA-N 0 0 202.200 2.383 50 0 BEAARN CC=CC=C1C(C)CC(=O)[C@H]1C(=O)OC ZINC000087492939 188317784 /nfs/dbraw/zinc/31/77/84/188317784.db2.gz APVWSKRSXLWLOP-ZWNMCFTASA-N 0 0 208.257 2.031 50 0 BEAARN c1nc2nc(-c3ccc4c(c3)CCC4)ccn2n1 ZINC000001395042 353363815 /nfs/dbraw/zinc/36/38/15/353363815.db2.gz FEVJZHQBGIYDQY-UHFFFAOYSA-N 0 0 236.278 2.280 50 0 BEAARN CC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000007720713 188332146 /nfs/dbraw/zinc/33/21/46/188332146.db2.gz UOZOQMPONRVILY-UHFFFAOYSA-N 0 0 245.282 2.023 50 0 BEAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000005016578 188332513 /nfs/dbraw/zinc/33/25/13/188332513.db2.gz WMCIENSNBKBGKV-HKCMKHECSA-N 0 0 247.338 2.230 50 0 BEAARN C/C=C/C(=O)OCC(=O)Nc1c(C)cccc1C ZINC000003389962 188333063 /nfs/dbraw/zinc/33/30/63/188333063.db2.gz SDZLXAFCBPRRCW-GQCTYLIASA-N 0 0 247.294 2.361 50 0 BEAARN CNc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000000500546 188334561 /nfs/dbraw/zinc/33/45/61/188334561.db2.gz YMBHOUXUIACOGW-UHFFFAOYSA-N 0 0 212.256 2.461 50 0 biogenic BEAARN Cc1ccc(Cl)cc1NC(=O)N(C)CCO ZINC000000395364 188334866 /nfs/dbraw/zinc/33/48/66/188334866.db2.gz CTWYTPFRGDZVPJ-UHFFFAOYSA-N 0 0 242.706 2.104 50 0 BEAARN CC(C)Cc1nc2ccccc2c(=O)o1 ZINC000004499618 188336400 /nfs/dbraw/zinc/33/64/00/188336400.db2.gz XOUWWFRIWFBPGA-UHFFFAOYSA-N 0 0 203.241 2.387 50 0 BEAARN CC(N)=CC(=O)OC/C=C/c1ccccc1 ZINC000026893641 188356517 /nfs/dbraw/zinc/35/65/17/188356517.db2.gz GOWWDIWBLHYGMJ-GZPHBSKSSA-N 0 0 217.268 2.106 50 0 BEAARN CC(C)[C@H](c1ccccc1)N1C(=O)CN(C)C1=O ZINC000225555001 188358069 /nfs/dbraw/zinc/35/80/69/188358069.db2.gz IULOMYSKYVSXQM-CYBMUJFWSA-N 0 0 246.310 2.278 50 0 BEAARN Fc1ccc(N2CC(c3ccccn3)C2)nc1 ZINC000072174646 180976425 /nfs/dbraw/zinc/97/64/25/180976425.db2.gz WHYUIXTVLOIGPF-UHFFFAOYSA-N 0 0 229.258 2.220 50 0 BEAARN CC(C)CNC(=O)c1cc(F)cc(F)c1 ZINC000016651914 353560461 /nfs/dbraw/zinc/56/04/61/353560461.db2.gz SLPDAOODDZYSLG-UHFFFAOYSA-N 0 0 213.227 2.351 50 0 BEAARN Cc1nc(C)c(CSc2c[nH]nn2)s1 ZINC000095411478 353564101 /nfs/dbraw/zinc/56/41/01/353564101.db2.gz HQBBEULEYGWAOY-UHFFFAOYSA-N 0 0 226.330 2.170 50 0 BEAARN Fc1n[nH]c2ccc(Br)cc12 ZINC000089195893 181021131 /nfs/dbraw/zinc/02/11/31/181021131.db2.gz YGAXEFQRZVEQAZ-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Fc1cncc(N2CCC(F)(F)C2)c1 ZINC000169725438 181021185 /nfs/dbraw/zinc/02/11/85/181021185.db2.gz CVYZJZFZYYEIKW-UHFFFAOYSA-N 0 0 202.179 2.066 50 0 BEAARN COC(=O)C[C@H](C)c1ccccc1OC ZINC000000391015 363293195 /nfs/dbraw/zinc/29/31/95/363293195.db2.gz AMQHSBFLNIRYKR-VIFPVBQESA-N 0 0 208.257 2.362 50 0 BEAARN CCc1ccc(C(=O)Nc2ccn(C)n2)cc1 ZINC000032765283 354472968 /nfs/dbraw/zinc/47/29/68/354472968.db2.gz BSAZLQVNYZYHBE-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN O=C(CCc1ccsc1)N1CCCC1 ZINC000032721988 354537537 /nfs/dbraw/zinc/53/75/37/354537537.db2.gz PFLZDJGOVORXGW-UHFFFAOYSA-N 0 0 209.314 2.303 50 0 BEAARN O=C(Nc1ccncc1)c1ccc2c(c1)CCO2 ZINC000032726857 354539872 /nfs/dbraw/zinc/53/98/72/354539872.db2.gz BJGCXVQTBCOKGX-UHFFFAOYSA-N 0 0 240.262 2.269 50 0 BEAARN C[C@H](N(C)C(=O)[C@H]1CCCO1)C(C)(C)C ZINC000032788087 354581027 /nfs/dbraw/zinc/58/10/27/354581027.db2.gz UOAHSSYILILMGF-VHSXEESVSA-N 0 0 213.321 2.058 50 0 BEAARN Cn1cccc1C(=O)Nc1ccc(F)cc1 ZINC000032975895 354594544 /nfs/dbraw/zinc/59/45/44/354594544.db2.gz OZFYRKJIWCILKG-UHFFFAOYSA-N 0 0 218.231 2.417 50 0 BEAARN CC(C)CCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000033019053 354595013 /nfs/dbraw/zinc/59/50/13/354595013.db2.gz ONXLUFBXQPCDMI-QWRGUYRKSA-N 0 0 213.321 2.058 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2ccccn2)o1 ZINC000033024025 354595063 /nfs/dbraw/zinc/59/50/63/354595063.db2.gz ZFEHJRRXTAIKFY-UHFFFAOYSA-N 0 0 230.267 2.255 50 0 BEAARN CC1=CCCN(Cc2nc(C(F)F)no2)C1 ZINC000335096297 354636258 /nfs/dbraw/zinc/63/62/58/354636258.db2.gz JYCCUSCPKPNBEN-UHFFFAOYSA-N 0 0 229.230 2.159 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2c(C)noc2C)o1 ZINC000006993494 363420443 /nfs/dbraw/zinc/42/04/43/363420443.db2.gz HYELVLYJFQALEL-UHFFFAOYSA-N 0 0 248.282 2.465 50 0 BEAARN COc1cc(C(F)(F)F)nc(OC)c1F ZINC000047218609 355367856 /nfs/dbraw/zinc/36/78/56/355367856.db2.gz CEIVFZDETATDQN-UHFFFAOYSA-N 0 0 225.141 2.257 50 0 BEAARN CCCCC[C@H](C)NC(=O)[C@H]1CCCO1 ZINC000006042516 355530043 /nfs/dbraw/zinc/53/00/43/355530043.db2.gz HUOJFXFCPQZHQO-WDEREUQCSA-N 0 0 213.321 2.250 50 0 BEAARN Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)no1 ZINC000047464486 355756992 /nfs/dbraw/zinc/75/69/92/355756992.db2.gz CFLCCUJLMSZVKY-RKDXNWHRSA-N 0 0 222.288 2.101 50 0 BEAARN CCc1ccc(C(=O)CCC(=O)N(C)C)cc1 ZINC000047651284 355805734 /nfs/dbraw/zinc/80/57/34/355805734.db2.gz WMEXERWTBNDFKL-UHFFFAOYSA-N 0 0 233.311 2.300 50 0 BEAARN NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000001095212 181212172 /nfs/dbraw/zinc/21/21/72/181212172.db2.gz FUWAUCZWCQWBLL-DUXPYHPUSA-N 0 0 216.067 2.492 50 0 BEAARN NC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000033304595 181213225 /nfs/dbraw/zinc/21/32/25/181213225.db2.gz FUWAUCZWCQWBLL-RQOWECAXSA-N 0 0 216.067 2.492 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC000006084783 355844584 /nfs/dbraw/zinc/84/45/84/355844584.db2.gz LVYIHIWNCGZDGT-GFCCVEGCSA-N 0 0 235.331 2.064 50 0 BEAARN NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000000343752 181215490 /nfs/dbraw/zinc/21/54/90/181215490.db2.gz ZSVVGWIOZHKNII-UHFFFAOYSA-N 0 0 207.248 2.123 50 0 BEAARN Cn1nc(-c2cccc(F)c2)n(C)c1=S ZINC000000004928 355890846 /nfs/dbraw/zinc/89/08/46/355890846.db2.gz IWDUZEHNLHFBRZ-UHFFFAOYSA-N 0 0 223.276 2.294 50 0 in-man BEAARN C[C@@H]1C[C@@H](C(=O)NC/C=C/CO)CC(C)(C)C1 ZINC000617685858 356284542 /nfs/dbraw/zinc/28/45/42/356284542.db2.gz YIEBOWHJHHBGIG-GKUNOOHESA-N 0 0 239.359 2.114 50 0 BEAARN COC(=O)N(OC)c1cccc(Cl)c1 ZINC000000400502 356358864 /nfs/dbraw/zinc/35/88/64/356358864.db2.gz KBYAPOVQXOBLNO-UHFFFAOYSA-N 0 0 215.636 2.474 50 0 BEAARN O=C1CC23C=CC(C=C2)c2ccccc2[C@@H]3N1 ZINC000045027815 356372197 /nfs/dbraw/zinc/37/21/97/356372197.db2.gz DQMPAYYFPBIXKO-CUMGRINNSA-N 0 0 223.275 2.457 50 0 BEAARN O=C(c1ccc(F)c(F)c1)N1CCSCC1 ZINC000049213117 356373409 /nfs/dbraw/zinc/37/34/09/356373409.db2.gz MFRVMBCTOFOXDX-UHFFFAOYSA-N 0 0 243.278 2.154 50 0 BEAARN CCc1nccn1-c1cc(Cl)nc(C)n1 ZINC000052837620 356369736 /nfs/dbraw/zinc/36/97/36/356369736.db2.gz PWJJWJXDCZYLOI-UHFFFAOYSA-N 0 0 222.679 2.187 50 0 BEAARN Cc1cncc(NC(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000336142819 134101169 /nfs/dbraw/zinc/10/11/69/134101169.db2.gz LLGYVNUKORWUON-IUCAKERBSA-N 0 0 226.226 2.230 50 0 BEAARN CCOc1ccc(NC(=O)[C@H]2CCOC2)cc1 ZINC000049353845 356418089 /nfs/dbraw/zinc/41/80/89/356418089.db2.gz PTQQFBDQUWYONV-JTQLQIEISA-N 0 0 235.283 2.060 50 0 BEAARN NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089873180 181273411 /nfs/dbraw/zinc/27/34/11/181273411.db2.gz ZPEWUQAIHOXBNF-CHWSQXEVSA-N 0 0 211.264 2.429 50 0 BEAARN NC(=O)[C@H](Sc1ccccn1)c1ccccc1 ZINC000011334999 181278789 /nfs/dbraw/zinc/27/87/89/181278789.db2.gz RCASSAXPHBGWPA-GFCCVEGCSA-N 0 0 244.319 2.400 50 0 BEAARN NC(=O)[C@H](Nc1ccccc1)c1ccccc1 ZINC000000393454 181278827 /nfs/dbraw/zinc/27/88/27/181278827.db2.gz NAFOOGOADMAIJN-CYBMUJFWSA-N 0 0 226.279 2.325 50 0 BEAARN Cn1ccc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000002798415 356492529 /nfs/dbraw/zinc/49/25/29/356492529.db2.gz YKGHLQCWXWYYGF-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN NC(=O)c1c(Cl)cc(Cl)nc1Cl ZINC000095883378 181286172 /nfs/dbraw/zinc/28/61/72/181286172.db2.gz IQLNRTPWCZJLOP-UHFFFAOYSA-N 0 0 225.462 2.141 50 0 BEAARN CC(C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000012971220 363487266 /nfs/dbraw/zinc/48/72/66/363487266.db2.gz NBIJYTMTRBXDDX-UHFFFAOYSA-N 0 0 205.257 2.216 50 0 BEAARN Cc1nn(-c2nccs2)cc1Br ZINC000675050277 538472186 /nfs/dbraw/zinc/47/21/86/538472186.db2.gz NJXJHDZNCDZMKU-UHFFFAOYSA-N 0 0 244.117 2.400 50 0 BEAARN NC(=O)c1cc(Br)ccc1Cl ZINC000002566353 181287926 /nfs/dbraw/zinc/28/79/26/181287926.db2.gz UZELTISECDSPNW-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN Cc1cc(NCc2cccc(O)c2)no1 ZINC000083344137 538469544 /nfs/dbraw/zinc/46/95/44/538469544.db2.gz GYCABNPTDKJBTJ-UHFFFAOYSA-N 0 0 204.229 2.301 50 0 BEAARN NC(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000071867305 181288560 /nfs/dbraw/zinc/28/85/60/181288560.db2.gz NRAWYPLVPCUXOA-UHFFFAOYSA-N 0 0 239.580 2.338 50 0 BEAARN C[C@]1(c2ccc(Cl)cc2)CNC(=O)C1 ZINC000085133599 538535827 /nfs/dbraw/zinc/53/58/27/538535827.db2.gz CXMBMJSSMWCTCP-LLVKDONJSA-N 0 0 209.676 2.118 50 0 BEAARN C[C@@H](Nc1cnn(C)c1)c1cscn1 ZINC000095462742 538607529 /nfs/dbraw/zinc/60/75/29/538607529.db2.gz AUDLRGCXQBCRQP-SSDOTTSWSA-N 0 0 208.290 2.050 50 0 BEAARN Cc1cccc(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000089688902 538581634 /nfs/dbraw/zinc/58/16/34/538581634.db2.gz PUWURADQWLBNBL-CHWSQXEVSA-N 0 0 242.322 2.428 50 0 BEAARN Cc1cccc(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000089688903 538581748 /nfs/dbraw/zinc/58/17/48/538581748.db2.gz PUWURADQWLBNBL-STQMWFEESA-N 0 0 242.322 2.428 50 0 BEAARN Cc1cccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000089688901 538582052 /nfs/dbraw/zinc/58/20/52/538582052.db2.gz PUWURADQWLBNBL-BETUJISGSA-N 0 0 242.322 2.428 50 0 BEAARN Cc1cnc(C(=O)N2CC[C@@H]3CCCC[C@H]32)cn1 ZINC000089702227 538583525 /nfs/dbraw/zinc/58/35/25/538583525.db2.gz RAXNGXYFVSWNKJ-WCQYABFASA-N 0 0 245.326 2.190 50 0 BEAARN O=C(Nc1ncc(Cl)s1)C1=CCCCO1 ZINC000089764833 538583572 /nfs/dbraw/zinc/58/35/72/538583572.db2.gz FVFHKTRAEXJDRZ-UHFFFAOYSA-N 0 0 244.703 2.429 50 0 BEAARN C[C@H]1CC[C@H](C(=O)Nc2cc(O)cc(F)c2)O1 ZINC000095450288 538607649 /nfs/dbraw/zinc/60/76/49/538607649.db2.gz ZTASEZBMIDZFTR-WRWORJQWSA-N 0 0 239.246 2.037 50 0 BEAARN CC(C)(C)n1cc(C(=O)N2CC=CCC2)cn1 ZINC000095466189 538605622 /nfs/dbraw/zinc/60/56/22/538605622.db2.gz SMSSXRVHZXCUDA-UHFFFAOYSA-N 0 0 233.315 2.040 50 0 BEAARN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1OCC[C@H]1C ZINC000095458857 538606763 /nfs/dbraw/zinc/60/67/63/538606763.db2.gz NURBPORBKLKRHB-KXNHARMFSA-N 0 0 225.332 2.201 50 0 BEAARN CCc1cc(NC2CCSCC2)n(C)n1 ZINC000095992235 538614600 /nfs/dbraw/zinc/61/46/00/538614600.db2.gz PYBAKNYGWKYQSV-UHFFFAOYSA-N 0 0 225.361 2.290 50 0 BEAARN CC(C)(C)c1noc(C2(O)CCSCC2)n1 ZINC000095943496 538614703 /nfs/dbraw/zinc/61/47/03/538614703.db2.gz GIEHDLFDTUFQNA-UHFFFAOYSA-N 0 0 242.344 2.082 50 0 BEAARN CCC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000096002812 538614807 /nfs/dbraw/zinc/61/48/07/538614807.db2.gz HNPDGIIQOUCYDK-LLVKDONJSA-N 0 0 235.331 2.368 50 0 BEAARN O=C(NCCc1ccc(F)cc1F)C1CC1 ZINC000075001932 356784355 /nfs/dbraw/zinc/78/43/55/356784355.db2.gz MDZDYFDWHJIAIA-UHFFFAOYSA-N 0 0 225.238 2.034 50 0 BEAARN Cc1cnn(Cc2ncc(C(C)C)o2)c1 ZINC000098013754 538714201 /nfs/dbraw/zinc/71/42/01/538714201.db2.gz DLMXZRYBCZEBBX-UHFFFAOYSA-N 0 0 205.261 2.351 50 0 BEAARN CC[C@H](C(=O)N1C[C@H](O)C[C@@H]1C)c1ccccc1 ZINC000385168430 356917907 /nfs/dbraw/zinc/91/79/07/356917907.db2.gz VFNBFPIPWRDAIK-YUTCNCBUSA-N 0 0 247.338 2.162 50 0 BEAARN Cn1c2c(c(=O)c3ccccc31)CC(C)(C)O2 ZINC000075279235 356937871 /nfs/dbraw/zinc/93/78/71/356937871.db2.gz ALMDIWFUTNRXII-UHFFFAOYSA-N 0 0 229.279 2.252 50 0 BEAARN Cc1cnc(C(=O)NCc2ccccc2C)cn1 ZINC000018832139 356980360 /nfs/dbraw/zinc/98/03/60/356980360.db2.gz DMUQZBRCHVPJDV-UHFFFAOYSA-N 0 0 241.294 2.023 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@H]3C[C@H]32)ns1 ZINC000585082251 538793285 /nfs/dbraw/zinc/79/32/85/538793285.db2.gz PVYWLNSZLILQDZ-WCBMZHEXSA-N 0 0 222.313 2.076 50 0 BEAARN O=C([C@H]1CC=CCC1)N1CC(C(F)F)C1 ZINC000585383242 538801489 /nfs/dbraw/zinc/80/14/89/538801489.db2.gz ZLLAFUJUYKRICJ-QMMMGPOBSA-N 0 0 215.243 2.066 50 0 BEAARN CCN(C(=O)c1ccc(F)cc1)C1CC1 ZINC000037982003 357241314 /nfs/dbraw/zinc/24/13/14/357241314.db2.gz RWXZEIIUBSJJSR-UHFFFAOYSA-N 0 0 207.248 2.450 50 0 BEAARN CC(=O)c1cccc(N2CC(C)(C)C2=O)c1 ZINC000000170078 166475261 /nfs/dbraw/zinc/47/52/61/166475261.db2.gz DRMPHEAXNKBGIA-UHFFFAOYSA-N 0 0 217.268 2.262 50 0 BEAARN C[C@H](CC(=O)NC1CC1)c1ccccc1 ZINC000040459698 357381932 /nfs/dbraw/zinc/38/19/32/357381932.db2.gz LQUASUFVLLOSRS-SNVBAGLBSA-N 0 0 203.285 2.459 50 0 BEAARN CC[C@H](C(=O)[O-])C1CC[NH+](C(C)C)CC1 ZINC000685951535 538895343 /nfs/dbraw/zinc/89/53/43/538895343.db2.gz PSBDZPORKWBPPA-NSHDSACASA-N 0 0 213.321 2.218 50 0 BEAARN C[C@@H](C(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000685951700 538895554 /nfs/dbraw/zinc/89/55/54/538895554.db2.gz YPBVHTYHRZPCTB-MRVPVSSYSA-N 0 0 213.321 2.264 50 0 BEAARN Cc1c([C@H](C)NC(=O)[C@H]2CC=CCC2)cnn1C ZINC000025001343 357740367 /nfs/dbraw/zinc/74/03/67/357740367.db2.gz ZRIWVJQQFSTCRO-JQWIXIFHSA-N 0 0 247.342 2.262 50 0 BEAARN NC(=O)c1ccc(Br)c(Cl)c1 ZINC000057351548 181292765 /nfs/dbraw/zinc/29/27/65/181292765.db2.gz OJJIBPRNEZNFNT-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN Cn1cccc1C(=O)CN1CCc2ccccc21 ZINC000035018649 357962950 /nfs/dbraw/zinc/96/29/50/357962950.db2.gz BFYFMUVRYJTSSK-UHFFFAOYSA-N 0 0 240.306 2.271 50 0 BEAARN Cc1ccc(NC(=O)N[C@@H](C)CO)cc1Cl ZINC000012977865 357964744 /nfs/dbraw/zinc/96/47/44/357964744.db2.gz MRULZNDXFZPVKK-QMMMGPOBSA-N 0 0 242.706 2.151 50 0 BEAARN Cc1ccoc1C(=O)N[C@@H]1CCC[C@@H]1F ZINC000335126439 358223550 /nfs/dbraw/zinc/22/35/50/358223550.db2.gz WTGCUMVWLTZDQL-DTWKUNHWSA-N 0 0 211.236 2.208 50 0 BEAARN O=C(NCc1ccco1)[C@H]1CC=CCC1 ZINC000052893321 358236720 /nfs/dbraw/zinc/23/67/20/358236720.db2.gz PBFFTRFVSNFOHG-JTQLQIEISA-N 0 0 205.257 2.252 50 0 BEAARN NC(=O)c1ccc(Cl)c(OC(F)(F)F)c1 ZINC000039712943 181297564 /nfs/dbraw/zinc/29/75/64/181297564.db2.gz HNOZOZSDXUHJCJ-UHFFFAOYSA-N 0 0 239.580 2.338 50 0 BEAARN C[C@@]12CC(=O)NC1=Nc1ccccc1S2 ZINC000020030942 358581115 /nfs/dbraw/zinc/58/11/15/358581115.db2.gz GMKZPHBKJNFYGZ-LLVKDONJSA-N 0 0 218.281 2.101 50 0 BEAARN O=C(OCc1ccccc1)C1CCC(=O)CC1 ZINC000040435314 358649040 /nfs/dbraw/zinc/64/90/40/358649040.db2.gz AMDOCFYEPPIDNK-UHFFFAOYSA-N 0 0 232.279 2.489 50 0 BEAARN NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000004722005 181298973 /nfs/dbraw/zinc/29/89/73/181298973.db2.gz GFLVMENNMYAMIF-UHFFFAOYSA-N 0 0 246.310 2.304 50 0 BEAARN CC[C@@H](C(=O)[O-])[NH+]1CCC(C(F)(F)F)CC1 ZINC000083889896 535436760 /nfs/dbraw/zinc/43/67/60/535436760.db2.gz CJBTXTSEKIZQIU-QMMMGPOBSA-N 0 0 239.237 2.124 50 0 BEAARN NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000000045868 181299034 /nfs/dbraw/zinc/29/90/34/181299034.db2.gz PBCJPQZRJRNEQT-UHFFFAOYSA-N 0 0 246.291 2.099 50 0 BEAARN NC(=S)NN=Cc1ccc(Cl)cc1 ZINC000001905240 359289806 /nfs/dbraw/zinc/28/98/06/359289806.db2.gz FABQYDLGFZXBIK-UHFFFAOYSA-N 0 0 213.693 2.128 50 0 BEAARN COC(=O)CSCc1ccccc1F ZINC000006490467 359531764 /nfs/dbraw/zinc/53/17/64/359531764.db2.gz LWMCAPBSCXUWFR-UHFFFAOYSA-N 0 0 214.261 2.232 50 0 BEAARN CC1(C)[C@@]2(C(=O)N3CCCC3)CC[C@]1(C)C(=O)C2 ZINC000000167292 359618949 /nfs/dbraw/zinc/61/89/49/359618949.db2.gz DYEOYMXPFGTZNY-CABCVRRESA-N 0 0 249.354 2.394 50 0 biogenic BEAARN COCC1N=NC(=S)N1[C@H](C)c1ccccc1 ZINC000006525408 359879038 /nfs/dbraw/zinc/87/90/38/359879038.db2.gz ICYZNGGTYITBCO-SECBINFHSA-N 0 0 249.339 2.323 50 0 BEAARN CCCN1Cc2ccccc2O[C@@H](C)C1=O ZINC000064542457 360157686 /nfs/dbraw/zinc/15/76/86/360157686.db2.gz VXXVOFQDUHLTFM-JTQLQIEISA-N 0 0 219.284 2.206 50 0 BEAARN C[C@@H]1CN(C(=O)C2CC=CC2)C[C@@H](C)S1 ZINC000095403638 360336892 /nfs/dbraw/zinc/33/68/92/360336892.db2.gz RWPJHEBNVIFJPX-NXEZZACHSA-N 0 0 225.357 2.305 50 0 BEAARN NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000076220 181300649 /nfs/dbraw/zinc/30/06/49/181300649.db2.gz PAKRXFXJKMFKPU-UHFFFAOYSA-N 0 0 227.263 2.365 50 0 BEAARN CC(=O)N(C(C)=O)c1cccc2c1CCCC2 ZINC000004577188 360473722 /nfs/dbraw/zinc/47/37/22/360473722.db2.gz SJNKBSDZXMRLBA-UHFFFAOYSA-N 0 0 231.295 2.465 50 0 BEAARN CNC(=O)c1occc1-c1ccc(F)cc1 ZINC000130457874 360503042 /nfs/dbraw/zinc/50/30/42/360503042.db2.gz ITEKQDBACIYPGT-UHFFFAOYSA-N 0 0 219.215 2.445 50 0 BEAARN COC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000006698839 360606589 /nfs/dbraw/zinc/60/65/89/360606589.db2.gz CPAUOLMINIHKKL-UHFFFAOYSA-N 0 0 247.338 2.114 50 0 BEAARN CCN(Cc1ccncc1)C(=O)[C@H]1C[C@H]1C ZINC000006699188 360606615 /nfs/dbraw/zinc/60/66/15/360606615.db2.gz DZOOTTSAJHPHAU-PWSUYJOCSA-N 0 0 218.300 2.086 50 0 BEAARN CCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000006726582 360681566 /nfs/dbraw/zinc/68/15/66/360681566.db2.gz YDPGKKSSJWPHCV-WDEREUQCSA-N 0 0 233.377 2.285 50 0 BEAARN CC(C)Cc1nc2c(ncnc2Cl)o1 ZINC000238189038 360686683 /nfs/dbraw/zinc/68/66/83/360686683.db2.gz IGWKNWWEBOCLIB-UHFFFAOYSA-N 0 0 211.652 2.470 50 0 BEAARN NC(=O)c1cccc(Cl)c1Br ZINC000036533242 181305237 /nfs/dbraw/zinc/30/52/37/181305237.db2.gz NEOYZMDNYJMUKL-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN NC(=O)c1cccc(OCCc2ccccc2)c1 ZINC000010335363 181305674 /nfs/dbraw/zinc/30/56/74/181305674.db2.gz QNENNHJQTVYVRY-UHFFFAOYSA-N 0 0 241.290 2.407 50 0 BEAARN NC(=O)c1ccccc1NCC1CCCC1 ZINC000151889048 181306743 /nfs/dbraw/zinc/30/67/43/181306743.db2.gz OBZJUTWTIATUFM-UHFFFAOYSA-N 0 0 218.300 2.388 50 0 BEAARN CC(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000075446434 200662451 /nfs/dbraw/zinc/66/24/51/200662451.db2.gz JEXRILTUQBARTM-UHFFFAOYSA-N 0 0 229.283 2.448 50 0 BEAARN Cc1c(N)ccc(Br)c1F ZINC000015443750 200652106 /nfs/dbraw/zinc/65/21/06/200652106.db2.gz HOFKRNFFIGAFNE-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN C/C=C/C=C\C(=O)Nc1ccccc1O ZINC000096485353 200731700 /nfs/dbraw/zinc/73/17/00/200731700.db2.gz LCHWXAYMPYZFRE-OQIXSKIXSA-N 0 0 203.241 2.463 50 0 BEAARN NC(=S)Cc1ncc(C(F)(F)F)cc1F ZINC000263624860 181317520 /nfs/dbraw/zinc/31/75/20/181317520.db2.gz UTWMWBBULYTYPL-UHFFFAOYSA-N 0 0 238.209 2.068 50 0 BEAARN NC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000000102761 181319425 /nfs/dbraw/zinc/31/94/25/181319425.db2.gz UCOXNOVULREFCO-UHFFFAOYSA-N 0 0 236.218 2.241 50 0 BEAARN CC(=O)c1cccc(OCC(=O)c2ccc[nH]2)c1 ZINC000006851165 360996207 /nfs/dbraw/zinc/99/62/07/360996207.db2.gz REZBRAIOJURQQY-UHFFFAOYSA-N 0 0 243.262 2.479 50 0 BEAARN Cn1c(C(=O)NC2CCCC2)cc2occc21 ZINC000036358701 360985065 /nfs/dbraw/zinc/98/50/65/360985065.db2.gz GALMTVXNVOIBAE-UHFFFAOYSA-N 0 0 232.283 2.444 50 0 BEAARN COc1nccc(C(F)(F)F)c1OC ZINC000238423040 361034397 /nfs/dbraw/zinc/03/43/97/361034397.db2.gz ZAWWPCJSQXRWSN-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN CC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 ZINC000006880280 361070380 /nfs/dbraw/zinc/07/03/80/361070380.db2.gz BVHXANRJPBOUBU-SECBINFHSA-N 0 0 231.251 2.302 50 0 BEAARN Cc1cccc(C(=O)O[C@@H]2CCCC[C@@H]2O)c1 ZINC000006924219 361140789 /nfs/dbraw/zinc/14/07/89/361140789.db2.gz JPURYESJVOFUNF-QWHCGFSZSA-N 0 0 234.295 2.455 50 0 BEAARN OCc1ccnc(C(F)(F)F)c1Cl ZINC000238728094 361372447 /nfs/dbraw/zinc/37/24/47/361372447.db2.gz MQJRTKILXYFCLG-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN CON(C)C(=O)c1nc(-c2ccccc2)oc1C ZINC000036739263 361393943 /nfs/dbraw/zinc/39/39/43/361393943.db2.gz IBRIMFDOGRYEEX-UHFFFAOYSA-N 0 0 246.266 2.283 50 0 BEAARN CC(C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000041194528 361444114 /nfs/dbraw/zinc/44/41/14/361444114.db2.gz LVCWKYWVXUOHQZ-NEPJUHHUSA-N 0 0 225.332 2.203 50 0 BEAARN Nc1cc(=O)n(-c2cc(Cl)ccc2Cl)[nH]1 ZINC000018190490 181338862 /nfs/dbraw/zinc/33/88/62/181338862.db2.gz ORLJAGKBUCNDON-UHFFFAOYSA-N 0 0 244.081 2.002 50 0 BEAARN COC(=O)CSc1ccc2c(c1)CCC2 ZINC000036923171 361579681 /nfs/dbraw/zinc/57/96/81/361579681.db2.gz MOSZDEKPHNAXHW-UHFFFAOYSA-N 0 0 222.309 2.440 50 0 BEAARN O=c1[nH]c(NC2CCCC2)nc2ccccc21 ZINC000041603759 361584351 /nfs/dbraw/zinc/58/43/51/361584351.db2.gz BMWLPLBIONSVCO-UHFFFAOYSA-N 0 0 229.283 2.278 50 0 BEAARN c1coc(CSCCC2OCCO2)c1 ZINC000097148206 541325192 /nfs/dbraw/zinc/32/51/92/541325192.db2.gz KLLJTMIECNOCEZ-UHFFFAOYSA-N 0 0 214.286 2.276 50 0 BEAARN COCc1ccc([C@H]2CCCN2C(=O)C2CC2)o1 ZINC000097147891 541325199 /nfs/dbraw/zinc/32/51/99/541325199.db2.gz WXCXOJBKMHVYJQ-GFCCVEGCSA-N 0 0 249.310 2.500 50 0 BEAARN CC(=O)O[C@@H]1CCCC(=O)[C@@H]2CC[C@H](C)[C@@H]21 ZINC000252597699 363982650 /nfs/dbraw/zinc/98/26/50/363982650.db2.gz CTRGTIOYTQSBCH-ZDAZMGEQSA-N 0 0 224.300 2.333 50 0 BEAARN CC(F)(F)c1ncc(Br)cn1 ZINC000217085423 363983603 /nfs/dbraw/zinc/98/36/03/363983603.db2.gz IDNBKRRQWMDWTL-UHFFFAOYSA-N 0 0 223.020 2.351 50 0 BEAARN CC(C)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000008502391 364146717 /nfs/dbraw/zinc/14/67/17/364146717.db2.gz OCBXXFBQDKYXHA-AWEZNQCLSA-N 0 0 246.310 2.110 50 0 BEAARN CNC(=S)N([C@@H](C)c1ccccn1)C1CC1 ZINC000066006563 364276429 /nfs/dbraw/zinc/27/64/29/364276429.db2.gz LHDPSKJDMUBCFD-VIFPVBQESA-N 0 0 235.356 2.111 50 0 BEAARN COc1cc(C)ccc1NCc1cnn(C)c1 ZINC000037783401 364777175 /nfs/dbraw/zinc/77/71/75/364777175.db2.gz FOBDFGOODDHALO-UHFFFAOYSA-N 0 0 231.299 2.349 50 0 BEAARN C[C@H](NC(=O)NC1CC1)c1ccc(F)cc1 ZINC000012893055 541486900 /nfs/dbraw/zinc/48/69/00/541486900.db2.gz YZLNXJPUSDKABS-QMMMGPOBSA-N 0 0 222.263 2.348 50 0 BEAARN C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000032814512 541501755 /nfs/dbraw/zinc/50/17/55/541501755.db2.gz HOOWODVZLIFDTM-JTQLQIEISA-N 0 0 209.264 2.219 50 0 BEAARN Cc1ccc(NC(=O)c2cnsn2)cc1 ZINC000012289025 370840849 /nfs/dbraw/zinc/84/08/49/370840849.db2.gz NLQMDUZTEWEZIF-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CC(=O)Nc1nc(C)c(Cl)c(Cl)n1 ZINC000001395886 367661630 /nfs/dbraw/zinc/66/16/30/367661630.db2.gz CWRXFKHDPUSPBU-UHFFFAOYSA-N 0 0 220.059 2.050 50 0 BEAARN CCCc1noc(CCc2c(C)n[nH]c2C)n1 ZINC000019789621 367966982 /nfs/dbraw/zinc/96/69/82/367966982.db2.gz XMWVKQYCDIJRDR-UHFFFAOYSA-N 0 0 234.303 2.147 50 0 BEAARN CCOc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000007915740 368005212 /nfs/dbraw/zinc/00/52/12/368005212.db2.gz HAYVQHOKUVYCSN-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN O=S(=O)(Oc1ccccc1)c1ccccc1 ZINC000003207449 368098642 /nfs/dbraw/zinc/09/86/42/368098642.db2.gz CGEXUOTXYSGBLV-UHFFFAOYSA-N 0 0 234.276 2.454 50 0 BEAARN Cc1nn(C)c(-c2ccc(F)cc2)c1C=O ZINC000020445235 368372463 /nfs/dbraw/zinc/37/24/63/368372463.db2.gz BCYUMMGZAZACSE-UHFFFAOYSA-N 0 0 218.231 2.347 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@@H](CO)O2 ZINC000209934352 368399355 /nfs/dbraw/zinc/39/93/55/368399355.db2.gz ZBJCYZPANVLBRK-FDYHWXHSSA-N 0 0 228.332 2.183 50 0 endogenous,in-man BEAARN O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5C=C[C@H]6[C@@H]1[C@@H]2[C@@H]([C@@H]43)[C@H]56 ZINC000104303918 368385173 /nfs/dbraw/zinc/38/51/73/368385173.db2.gz STFQHVWFCWXQGP-QGUMQBLWSA-N 0 0 228.335 2.317 50 0 BEAARN C[S@@](=N)(=O)c1ccc(Br)cc1 ZINC000137727772 368389160 /nfs/dbraw/zinc/38/91/60/368389160.db2.gz VFSHUOASIOCCAA-LLVKDONJSA-N 0 0 234.118 2.485 50 0 BEAARN CC(=O)O[C@H](C)c1ncnc(Cl)c1Cl ZINC000137778805 368389780 /nfs/dbraw/zinc/38/97/80/368389780.db2.gz DAODUYDKFKFJFS-SCSAIBSYSA-N 0 0 235.070 2.408 50 0 BEAARN O=C(N[C@@H]1CCCOC1)OCc1ccccc1 ZINC000147797944 368394719 /nfs/dbraw/zinc/39/47/19/368394719.db2.gz BXNIMANJKWUCMH-GFCCVEGCSA-N 0 0 235.283 2.092 50 0 BEAARN Cc1c[nH]cc1C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC000456327690 202936870 /nfs/dbraw/zinc/93/68/70/202936870.db2.gz JLVTVJLSKJCFIN-QWRGUYRKSA-N 0 0 220.316 2.345 50 0 BEAARN CCOC(=O)c1ccnc(C(F)(F)F)c1OC ZINC000514278271 369728133 /nfs/dbraw/zinc/72/81/33/369728133.db2.gz BDRZLZRTEZIEPW-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN CC(C)c1ccc(N2C(=O)[C@@H]3C[C@@H]3C2=O)cc1 ZINC000013400525 371060018 /nfs/dbraw/zinc/06/00/18/371060018.db2.gz OTHLLNJMIBXXIT-TXEJJXNPSA-N 0 0 229.279 2.319 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccccc1OC(F)(F)F ZINC000019503381 181539792 /nfs/dbraw/zinc/53/97/92/181539792.db2.gz OMUCIBHXELVTMP-ZETCQYMHSA-N 0 0 249.188 2.060 50 0 BEAARN CC(C)(C)NC(=O)c1ccc(N)cc1Cl ZINC000020220928 371246197 /nfs/dbraw/zinc/24/61/97/371246197.db2.gz NKWNCVPINHBPLM-UHFFFAOYSA-N 0 0 226.707 2.451 50 0 BEAARN CCCCSC[C@@H](C)CS(C)(=O)=O ZINC000095411013 371281024 /nfs/dbraw/zinc/28/10/24/371281024.db2.gz VSMYVGDDRIQLPC-SECBINFHSA-N 0 0 224.391 2.200 50 0 BEAARN CN[P@](=O)(N(C)C)C(Cl)(Cl)Cl ZINC000095351677 371273164 /nfs/dbraw/zinc/27/31/64/371273164.db2.gz YFZLWSFSYHIZBU-NSHDSACASA-N 0 0 239.470 2.288 50 0 BEAARN CC[C@@H](SC[C@@H](O)CO)c1ccccc1 ZINC000095407550 371277891 /nfs/dbraw/zinc/27/78/91/371277891.db2.gz ORCFUUSYTLRTGF-NWDGAFQWSA-N 0 0 226.341 2.224 50 0 BEAARN Nc1c(F)cccc1C(=O)C(F)(F)F ZINC000095828978 181669514 /nfs/dbraw/zinc/66/95/14/181669514.db2.gz SUKJQJUGDUYPQO-UHFFFAOYSA-N 0 0 207.126 2.153 50 0 BEAARN Nc1cc(-c2cc(Cl)ccc2F)[nH]n1 ZINC000019441311 181673793 /nfs/dbraw/zinc/67/37/93/181673793.db2.gz PTVBUJMTAGFCDV-UHFFFAOYSA-N 0 0 211.627 2.451 50 0 BEAARN O=C(CCn1cccc1)NCc1cccs1 ZINC000021016549 371357681 /nfs/dbraw/zinc/35/76/81/371357681.db2.gz AZLPSHXHDXJSNC-UHFFFAOYSA-N 0 0 234.324 2.256 50 0 BEAARN Nc1c(F)c(F)c(F)cc1Br ZINC000000056705 181665630 /nfs/dbraw/zinc/66/56/30/181665630.db2.gz AKJNEERVRJOBPD-UHFFFAOYSA-N 0 0 225.995 2.449 50 0 BEAARN Nc1ccc(-n2ncc3ccccc32)cn1 ZINC000050523797 181697726 /nfs/dbraw/zinc/69/77/26/181697726.db2.gz PRXBPNBPFQGIMU-UHFFFAOYSA-N 0 0 210.240 2.003 50 0 BEAARN Nc1ccc(F)cc1SCc1ncon1 ZINC000085933396 181712979 /nfs/dbraw/zinc/71/29/79/181712979.db2.gz DHLZZYXPQUVKSK-UHFFFAOYSA-N 0 0 225.248 2.083 50 0 BEAARN Nc1cccc(OCc2ccccc2)n1 ZINC000085471825 181747543 /nfs/dbraw/zinc/74/75/43/181747543.db2.gz MEPQJQHIUFFWMI-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000570382 181746069 /nfs/dbraw/zinc/74/60/69/181746069.db2.gz OOPLRJVJUNAQIG-UHFFFAOYSA-N 0 0 238.246 2.069 50 0 BEAARN Nc1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000014630640 181722700 /nfs/dbraw/zinc/72/27/00/181722700.db2.gz RNQWPNNARUETMX-SNVBAGLBSA-N 0 0 225.263 2.356 50 0 BEAARN Cc1ccn2c(c1)nnc2NCc1cccnc1 ZINC000126009168 371472911 /nfs/dbraw/zinc/47/29/11/371472911.db2.gz KIHHFYJHLQYOTM-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN CCCCC(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000021932385 371506483 /nfs/dbraw/zinc/50/64/83/371506483.db2.gz IVUCKHAWKUPJEL-UHFFFAOYSA-N 0 0 248.282 2.260 50 0 BEAARN Nc1ccccc1C(=O)NCc1ccccc1 ZINC000003886415 181752659 /nfs/dbraw/zinc/75/26/59/181752659.db2.gz ANVAEYULLAJMQX-UHFFFAOYSA-N 0 0 226.279 2.199 50 0 BEAARN Nc1ccccc1N1C[C@H](C(F)(F)F)OC1=O ZINC000072295219 181755373 /nfs/dbraw/zinc/75/53/73/181755373.db2.gz XVKHXGMAXKQROH-MRVPVSSYSA-N 0 0 246.188 2.156 50 0 BEAARN CC(C)c1ccoc1C(=O)N1CC(CF)C1 ZINC000335213904 371533122 /nfs/dbraw/zinc/53/31/22/371533122.db2.gz DFVKFYSFZOITGS-UHFFFAOYSA-N 0 0 225.263 2.445 50 0 BEAARN Nc1ccnc(-c2ccc(Cl)cc2)n1 ZINC000050847026 181761845 /nfs/dbraw/zinc/76/18/45/181761845.db2.gz FFGMOMZZTKKFSA-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN CCN1c2ccccc2N[C@@H](C)CC1=O ZINC000021793345 371495245 /nfs/dbraw/zinc/49/52/45/371495245.db2.gz QQNVOFGQOYUILD-VIFPVBQESA-N 0 0 204.273 2.244 50 0 BEAARN C/C(=C/C(=O)OCCCCCO)C1CC1 ZINC000225665639 371565974 /nfs/dbraw/zinc/56/59/74/371565974.db2.gz XJOWOOCRUXTACD-KTKRTIGZSA-N 0 0 212.289 2.049 50 0 BEAARN CCCC[C@H](C)C(=O)NCC[C@H]1CCCO1 ZINC000225725200 371570495 /nfs/dbraw/zinc/57/04/95/371570495.db2.gz GCEISURFGCZGHV-NWDGAFQWSA-N 0 0 227.348 2.498 50 0 BEAARN CC[C@@H](C)NC(=O)COc1cccc(C(C)=O)c1 ZINC000002659229 371625959 /nfs/dbraw/zinc/62/59/59/371625959.db2.gz QXKGSBBBBLUGBA-SNVBAGLBSA-N 0 0 249.310 2.183 50 0 BEAARN Cc1cc(C(=O)NCc2cnn(C)c2)sc1C ZINC000002730830 371643455 /nfs/dbraw/zinc/64/34/55/371643455.db2.gz QPLCZBNYOFLOMW-UHFFFAOYSA-N 0 0 249.339 2.028 50 0 BEAARN Nc1ncc(C(F)F)cc1Br ZINC000225607973 181796275 /nfs/dbraw/zinc/79/62/75/181796275.db2.gz WWWXERZMWVASBE-UHFFFAOYSA-N 0 0 223.020 2.364 50 0 BEAARN Cc1nc(NCc2ccccc2Cl)n(C)n1 ZINC000162479908 371695508 /nfs/dbraw/zinc/69/55/08/371695508.db2.gz QJMUAVZUMMKFPL-UHFFFAOYSA-N 0 0 236.706 2.389 50 0 BEAARN Nc1nccc(-c2ccc3c(c2)CCC3)n1 ZINC000001395046 181800354 /nfs/dbraw/zinc/80/03/54/181800354.db2.gz YXWFHCAJVDEHQN-UHFFFAOYSA-N 0 0 211.268 2.215 50 0 BEAARN CC(C)c1ccc(/C=C2\NC(=S)NC2=O)cc1 ZINC000003030756 371851538 /nfs/dbraw/zinc/85/15/38/371851538.db2.gz UWDHAFPBOPNIDC-XFFZJAGNSA-N 0 0 246.335 2.155 50 0 BEAARN O=C(OC[C@@H]1CCCO1)c1cccnc1Cl ZINC000003184225 371905136 /nfs/dbraw/zinc/90/51/36/371905136.db2.gz HIGUMXDGQDTRRI-QMMMGPOBSA-N 0 0 241.674 2.071 50 0 BEAARN CCOc1ncccc1CNC(=O)c1ccco1 ZINC000030309577 371911093 /nfs/dbraw/zinc/91/10/93/371911093.db2.gz XCYRXFTTWVDSTQ-UHFFFAOYSA-N 0 0 246.266 2.003 50 0 BEAARN CC[C@@H]1c2ccsc2CCN1S(C)(=O)=O ZINC000030426415 371923745 /nfs/dbraw/zinc/92/37/45/371923745.db2.gz XXBUPVPWNDVYQO-SECBINFHSA-N 0 0 245.369 2.017 50 0 BEAARN CC[C@H]1CCCCN1Cn1ncn(C)c1=S ZINC000003258030 371930939 /nfs/dbraw/zinc/93/09/39/371930939.db2.gz JCNYQOWOBBKXFK-JTQLQIEISA-N 0 0 240.376 2.173 50 0 BEAARN O=C(/C=C/c1ccco1)Nc1ccccn1 ZINC000012341516 181843828 /nfs/dbraw/zinc/84/38/28/181843828.db2.gz XOPHQUWQRVLDOP-VOTSOKGWSA-N 0 0 214.224 2.327 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)C1CCOCC1 ZINC000058291325 372004442 /nfs/dbraw/zinc/00/44/42/372004442.db2.gz VMKFKTVDSWHKOH-GFCCVEGCSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)NC1CCCC1 ZINC000031053445 372009593 /nfs/dbraw/zinc/00/95/93/372009593.db2.gz BMIXSCRWBKPPOK-SNVBAGLBSA-N 0 0 236.315 2.452 50 0 BEAARN COc1ccc2c(c1)OC1(CCCCC1)NC2=O ZINC000058331406 372010972 /nfs/dbraw/zinc/01/09/72/372010972.db2.gz HWUQNJXDFUHOJV-UHFFFAOYSA-N 0 0 247.294 2.478 50 0 BEAARN CCCn1nccc1NC(=O)c1cccc(C)n1 ZINC000031417382 372063017 /nfs/dbraw/zinc/06/30/17/372063017.db2.gz ZWDRNXMCVGKTBN-UHFFFAOYSA-N 0 0 244.298 2.249 50 0 BEAARN O=C(C1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000041172155 181862650 /nfs/dbraw/zinc/86/26/50/181862650.db2.gz WLZRMOFYHOEQTP-ZDUSSCGKSA-N 0 0 249.285 2.136 50 0 BEAARN O=C(C1CC1)n1oc(=O)cc1-c1ccccc1 ZINC000001386453 181865059 /nfs/dbraw/zinc/86/50/59/181865059.db2.gz ZBKXYYSVLIZTAV-UHFFFAOYSA-N 0 0 229.235 2.159 50 0 BEAARN O=C(c1cccs1)N1CCCCCC1=O ZINC000004313400 372201954 /nfs/dbraw/zinc/20/19/54/372201954.db2.gz LAXNJTXGLGFKBV-UHFFFAOYSA-N 0 0 223.297 2.291 50 0 BEAARN Cn1cc(C(=O)NC2CC2)c2ccccc21 ZINC000008077273 372311141 /nfs/dbraw/zinc/31/11/41/372311141.db2.gz OFDLUBHPGBSADM-UHFFFAOYSA-N 0 0 214.268 2.071 50 0 BEAARN CCO[C@H](C)C(=O)NCCSC(C)(C)C ZINC000066736725 372533118 /nfs/dbraw/zinc/53/31/18/372533118.db2.gz HNJPOQYCQHIWPT-SECBINFHSA-N 0 0 233.377 2.059 50 0 BEAARN Cc1cc2n(n1)S[C@@H](NCc1ccccc1)N2 ZINC000008301729 372552838 /nfs/dbraw/zinc/55/28/38/372552838.db2.gz JKPSHYNRDPNZND-LBPRGKRZSA-N 0 0 246.339 2.187 50 0 BEAARN O=C(CCc1ccccc1)NCc1cccnc1 ZINC000000035375 181930261 /nfs/dbraw/zinc/93/02/61/181930261.db2.gz XIXWLMBUSDWEFD-UHFFFAOYSA-N 0 0 240.306 2.331 50 0 BEAARN Cc1nc(C(=O)OCCOC(C)C)cs1 ZINC000066959809 372614642 /nfs/dbraw/zinc/61/46/42/372614642.db2.gz RXKLWHHMQLFKIP-UHFFFAOYSA-N 0 0 229.301 2.033 50 0 BEAARN CSc1nnc(-c2ccccc2F)n1C ZINC000008428327 372711662 /nfs/dbraw/zinc/71/16/62/372711662.db2.gz UJWIBWHLVITCSR-UHFFFAOYSA-N 0 0 223.276 2.343 50 0 BEAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C2CC2)c1C ZINC000008729245 372865496 /nfs/dbraw/zinc/86/54/96/372865496.db2.gz YMIMSKLBCCHNBU-MRVPVSSYSA-N 0 0 248.326 2.362 50 0 BEAARN O=C(COc1ccccc1O)Nc1ccccc1 ZINC000000041332 182005028 /nfs/dbraw/zinc/00/50/28/182005028.db2.gz GPQMEOWBPOWODL-UHFFFAOYSA-N 0 0 243.262 2.410 50 0 BEAARN O=C(COc1ccc2ccccc2c1)NC1CC1 ZINC000002741401 182001623 /nfs/dbraw/zinc/00/16/23/182001623.db2.gz VFMZRUNGMPHSRF-UHFFFAOYSA-N 0 0 241.290 2.497 50 0 BEAARN O=C(COc1ccccc1)Nc1ccncc1F ZINC000095975726 182002742 /nfs/dbraw/zinc/00/27/42/182002742.db2.gz UNJITEWRGDUWKW-UHFFFAOYSA-N 0 0 246.241 2.238 50 0 BEAARN O=C(COc1ccccc1)Nc1nccs1 ZINC000003958652 182003117 /nfs/dbraw/zinc/00/31/17/182003117.db2.gz QNBZNRVJFQWVPB-UHFFFAOYSA-N 0 0 234.280 2.161 50 0 BEAARN Cc1cc(-c2nc(-c3ccccc3)no2)n[nH]1 ZINC000008793588 372900777 /nfs/dbraw/zinc/90/07/77/372900777.db2.gz PRLJBSBDWIIPQE-UHFFFAOYSA-N 0 0 226.239 2.435 50 0 BEAARN OC(=C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000026842650 182012861 /nfs/dbraw/zinc/01/28/61/182012861.db2.gz LGRAOIBBJUNFDG-SECBINFHSA-N 0 0 218.174 2.183 50 0 BEAARN CCN1c2ccc(NC(=O)C(C)C)cc2CC1=O ZINC000008803754 372902070 /nfs/dbraw/zinc/90/20/70/372902070.db2.gz FIYJWXVWDTVUAH-UHFFFAOYSA-N 0 0 246.310 2.190 50 0 BEAARN O=C(C[C@H]1C=CCC1)Nc1nnc(C2CCC2)[nH]1 ZINC000097376632 182024593 /nfs/dbraw/zinc/02/45/93/182024593.db2.gz KUTCZUFNEXPHKK-VIFPVBQESA-N 0 0 246.314 2.367 50 0 BEAARN O=C(C[C@H]1C=CCC1)Nc1ccncc1 ZINC000032819139 182024997 /nfs/dbraw/zinc/02/49/97/182024997.db2.gz SRPDNMXLDOYNEE-JTQLQIEISA-N 0 0 202.257 2.376 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCC(F)(F)C(F)F ZINC000195580150 182025406 /nfs/dbraw/zinc/02/54/06/182025406.db2.gz UHTVBMSQNKHTTE-ZETCQYMHSA-N 0 0 239.212 2.359 50 0 BEAARN O=C(C[C@H]1C=CCC1)Nc1ncccc1O ZINC000084358864 182025562 /nfs/dbraw/zinc/02/55/62/182025562.db2.gz QKYGYXXTJJVSRH-VIFPVBQESA-N 0 0 218.256 2.082 50 0 BEAARN O=C(Cc1cccc(F)c1F)N1CCCC1 ZINC000085208529 182042177 /nfs/dbraw/zinc/04/21/77/182042177.db2.gz IPCFZRYVCGDJKN-UHFFFAOYSA-N 0 0 225.238 2.130 50 0 BEAARN O=C(Cc1ccccc1)N1CCSC1=S ZINC000000256151 182042683 /nfs/dbraw/zinc/04/26/83/182042683.db2.gz OVLPCYXFKYZNNF-UHFFFAOYSA-N 0 0 237.349 2.089 50 0 BEAARN O=C(Cc1ccccc1)Nc1nccs1 ZINC000000029573 182044459 /nfs/dbraw/zinc/04/44/59/182044459.db2.gz HYRZQLIFVQELLP-UHFFFAOYSA-N 0 0 218.281 2.324 50 0 in-vivo BEAARN O=C(Cc1ccccc1F)NCc1ccccn1 ZINC000032998081 182044994 /nfs/dbraw/zinc/04/49/94/182044994.db2.gz IGEVKUMVKDTRII-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1ccccc1F)Nc1cccnc1 ZINC000006257828 182045232 /nfs/dbraw/zinc/04/52/32/182045232.db2.gz ZJASNFLYZYXNRY-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN CCc1nc(COC(=O)[C@H](CC)OC)cs1 ZINC000068519848 373007158 /nfs/dbraw/zinc/00/71/58/373007158.db2.gz HOSDJDWDWYDGAQ-VIFPVBQESA-N 0 0 243.328 2.174 50 0 BEAARN O=C(Cc1cccs1)NC[C@H]1CCCS1 ZINC000096462159 182052863 /nfs/dbraw/zinc/05/28/63/182052863.db2.gz LJFBBGQFVQLRAQ-SNVBAGLBSA-N 0 0 241.381 2.302 50 0 BEAARN O=C(Cn1ccnc1)Nc1ccccc1Cl ZINC000010809228 182070414 /nfs/dbraw/zinc/07/04/14/182070414.db2.gz XCTHLRYFATUTPG-UHFFFAOYSA-N 0 0 235.674 2.175 50 0 BEAARN Cc1nn(C)c(C)c1/C=C\C(=O)N[C@@H](C)C(C)C ZINC000069180294 373117620 /nfs/dbraw/zinc/11/76/20/373117620.db2.gz BTDPXYAAJABFCB-DMEOUFDRSA-N 0 0 249.358 2.211 50 0 BEAARN O=C(Cn1ccc2ccccc21)N1CCCC1 ZINC000026422285 182066830 /nfs/dbraw/zinc/06/68/30/182066830.db2.gz BDQGKNPWECYVNK-UHFFFAOYSA-N 0 0 228.295 2.264 50 0 BEAARN Cc1ccc(CCNC(=O)C(C)(C)C)o1 ZINC000040090932 373105888 /nfs/dbraw/zinc/10/58/88/373105888.db2.gz MBXIZXVFZOMTEW-UHFFFAOYSA-N 0 0 209.289 2.293 50 0 BEAARN O=C(Cn1cccn1)c1ccc(Cl)cc1 ZINC000037340785 182069209 /nfs/dbraw/zinc/06/92/09/182069209.db2.gz DAKVWMOODDHQJR-UHFFFAOYSA-N 0 0 220.659 2.419 50 0 BEAARN O=C(N1CCCCCC1)C(F)(F)Cl ZINC000005621508 182080360 /nfs/dbraw/zinc/08/03/60/182080360.db2.gz ROEOPVBTIOBFRN-UHFFFAOYSA-N 0 0 211.639 2.221 50 0 BEAARN CSc1nnnn1-c1ccc(C)cc1C ZINC000040456778 373276156 /nfs/dbraw/zinc/27/61/56/373276156.db2.gz IANVZLVRMJSJPK-UHFFFAOYSA-N 0 0 220.301 2.001 50 0 BEAARN O=C(NC1CC1)c1ccnc(OC2CCCC2)c1 ZINC000252496456 182101090 /nfs/dbraw/zinc/10/10/90/182101090.db2.gz PIVMTAWQSUQNKP-UHFFFAOYSA-N 0 0 246.310 2.295 50 0 BEAARN O=C(NC1CC1)N1CC[C@H](Nc2ccccc2)C1 ZINC000065515420 182095610 /nfs/dbraw/zinc/09/56/10/182095610.db2.gz PPYXRVNBFQLNFF-ZDUSSCGKSA-N 0 0 245.326 2.045 50 0 BEAARN O=C(NC1CC1)c1ccc2c(c1)CCCC2 ZINC000008077177 182099324 /nfs/dbraw/zinc/09/93/24/182099324.db2.gz YDPFFWNAWTZKCQ-UHFFFAOYSA-N 0 0 215.296 2.458 50 0 BEAARN O=C(NC1CC1)c1ccc(Br)cc1 ZINC000000454180 182099576 /nfs/dbraw/zinc/09/95/76/182099576.db2.gz PTAOXRHPDPMIBL-UHFFFAOYSA-N 0 0 240.100 2.341 50 0 BEAARN O=C(NC1CC1)c1ccc(Cl)cc1F ZINC000032768103 182099598 /nfs/dbraw/zinc/09/95/98/182099598.db2.gz VWSKLEXJTOXGHX-UHFFFAOYSA-N 0 0 213.639 2.371 50 0 BEAARN O=C(NC1CC1)c1cc2c(s1)CCC2 ZINC000020903812 182100388 /nfs/dbraw/zinc/10/03/88/182100388.db2.gz CFRDKMUXVLMKMB-UHFFFAOYSA-N 0 0 207.298 2.129 50 0 BEAARN O=C(NC1CCCCCC1)[C@@H]1CCCO1 ZINC000000476366 182114760 /nfs/dbraw/zinc/11/47/60/182114760.db2.gz ZGUYRRJIPUWQFX-NSHDSACASA-N 0 0 211.305 2.004 50 0 BEAARN O=C(NC1CCCC1)c1cc(C2CC2)on1 ZINC000002497934 182109495 /nfs/dbraw/zinc/10/94/95/182109495.db2.gz BZWUZTHJGHYKCZ-UHFFFAOYSA-N 0 0 220.272 2.224 50 0 BEAARN O=C(NC1CCCCCCC1)c1cc[n+]([O-])cc1 ZINC000016494320 182114900 /nfs/dbraw/zinc/11/49/00/182114900.db2.gz RXSAUAKTTKPHEF-UHFFFAOYSA-N 0 0 248.326 2.163 50 0 BEAARN C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccncc1 ZINC000040506278 373371436 /nfs/dbraw/zinc/37/14/36/373371436.db2.gz IEMOBKHSBXHKPK-AAEUAGOBSA-N 0 0 248.326 2.218 50 0 BEAARN O=C(NC1CCCC1)c1ccc2nnsc2c1 ZINC000012274816 182110740 /nfs/dbraw/zinc/11/07/40/182110740.db2.gz LJVOANRUXLWHPC-UHFFFAOYSA-N 0 0 247.323 2.364 50 0 BEAARN O=C(NCC(F)(F)F)c1c(F)cccc1F ZINC000041791017 182123634 /nfs/dbraw/zinc/12/36/34/182123634.db2.gz QGODPVBGTVJAFU-UHFFFAOYSA-N 0 0 239.143 2.257 50 0 BEAARN O=C(NCC(F)(F)C(F)F)[C@H]1CC=CCC1 ZINC000195580123 182121661 /nfs/dbraw/zinc/12/16/61/182121661.db2.gz NMCGRVWYVCZENV-ZETCQYMHSA-N 0 0 239.212 2.359 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N1CCC(C)CC1 ZINC000040520890 373443441 /nfs/dbraw/zinc/44/34/41/373443441.db2.gz SSYVVQCECRWQQJ-GFCCVEGCSA-N 0 0 227.348 2.306 50 0 BEAARN Cc1ccc(NC(=O)N[C@H](C)CO)c(Cl)c1 ZINC000040525661 373449235 /nfs/dbraw/zinc/44/92/35/373449235.db2.gz HRIIATCDUWWTOT-MRVPVSSYSA-N 0 0 242.706 2.151 50 0 BEAARN CCc1nc(NC(=O)c2cnccn2)sc1C ZINC000040539560 373460458 /nfs/dbraw/zinc/46/04/58/373460458.db2.gz LRSMUIUOGCADDE-UHFFFAOYSA-N 0 0 248.311 2.056 50 0 BEAARN O=C(NCC1(O)CCCC1)Nc1cccs1 ZINC000042382746 182131741 /nfs/dbraw/zinc/13/17/41/182131741.db2.gz YJPQECZJNWMLIB-UHFFFAOYSA-N 0 0 240.328 2.175 50 0 BEAARN O=C(NCC1CC1)NCC1(c2ccccc2)CC1 ZINC000032779712 182139072 /nfs/dbraw/zinc/13/90/72/182139072.db2.gz XXGVZAIKAOUWOE-UHFFFAOYSA-N 0 0 244.338 2.427 50 0 BEAARN O=C(NCC1CC1)c1ccc(Br)o1 ZINC000032906074 182140850 /nfs/dbraw/zinc/14/08/50/182140850.db2.gz XLSHSPWJXFOBJK-UHFFFAOYSA-N 0 0 244.088 2.182 50 0 BEAARN O=C(NCC1CC1)c1cccc2ncccc21 ZINC000026207138 182141818 /nfs/dbraw/zinc/14/18/18/182141818.db2.gz CEYGLTCWLSDHEH-UHFFFAOYSA-N 0 0 226.279 2.375 50 0 BEAARN O=C(NCC1CC1)c1ccn(-c2ccccc2)n1 ZINC000032914437 182142573 /nfs/dbraw/zinc/14/25/73/182142573.db2.gz MMMSJSXDYHEIKU-UHFFFAOYSA-N 0 0 241.294 2.012 50 0 BEAARN O=C(NCC1CC1)c1ccc2c(c1)CCC2 ZINC000013009852 182141442 /nfs/dbraw/zinc/14/14/42/182141442.db2.gz QPKVJVVRULWWAB-UHFFFAOYSA-N 0 0 215.296 2.315 50 0 BEAARN O=C(NCC1CC1)c1cccc2cccnc21 ZINC000026204031 182141481 /nfs/dbraw/zinc/14/14/81/182141481.db2.gz HEICUEHBDOSZIX-UHFFFAOYSA-N 0 0 226.279 2.375 50 0 BEAARN O=C(NCCC1=CCCCC1)C(=O)c1ccc[nH]1 ZINC000065083509 182151400 /nfs/dbraw/zinc/15/14/00/182151400.db2.gz KTXDHIDPYUCLLE-UHFFFAOYSA-N 0 0 246.310 2.204 50 0 BEAARN O=C(NCCC1CC1)Nn1cnc2ccccc21 ZINC000170644641 182154853 /nfs/dbraw/zinc/15/48/53/182154853.db2.gz FNJXNACQGDBTFL-UHFFFAOYSA-N 0 0 244.298 2.090 50 0 BEAARN O=C(NCCCO)c1ccc(Cl)c(Cl)c1 ZINC000002546466 182170433 /nfs/dbraw/zinc/17/04/33/182170433.db2.gz JMIQJSDJDHUCSF-UHFFFAOYSA-N 0 0 248.109 2.106 50 0 BEAARN O=C(NCCCO)Nc1cccc2ccccc21 ZINC000011004326 182170573 /nfs/dbraw/zinc/17/05/73/182170573.db2.gz BLZYRJSCTDPZFE-UHFFFAOYSA-N 0 0 244.294 2.344 50 0 BEAARN CCCCNC(=O)NCc1cnc(C)s1 ZINC000032648511 168851664 /nfs/dbraw/zinc/85/16/64/168851664.db2.gz BXGXDJUDTHIFTL-UHFFFAOYSA-N 0 0 227.333 2.051 50 0 BEAARN O=C(NCCc1ccccn1)N1CCCCCC1 ZINC000048729345 182205763 /nfs/dbraw/zinc/20/57/63/182205763.db2.gz NBYHQZNBZJLYQP-UHFFFAOYSA-N 0 0 247.342 2.210 50 0 BEAARN O=C(NCCOc1ccccc1)c1ccccc1 ZINC000002171086 182197685 /nfs/dbraw/zinc/19/76/85/182197685.db2.gz ZALKNVQWNNSMAV-UHFFFAOYSA-N 0 0 241.290 2.495 50 0 BEAARN O=C(NCCc1ccc(F)cc1)c1ccoc1 ZINC000016640408 182203014 /nfs/dbraw/zinc/20/30/14/182203014.db2.gz FYWVLLJVAPHEGM-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1cccc(F)c1)c1ccoc1 ZINC000010101848 182203592 /nfs/dbraw/zinc/20/35/92/182203592.db2.gz WIMKAHVUMFGVSU-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1ccccc1)C(F)(F)C(F)F ZINC000002900929 182204057 /nfs/dbraw/zinc/20/40/57/182204057.db2.gz WBRNXKMOVUUDBB-UHFFFAOYSA-N 0 0 249.207 2.246 50 0 BEAARN O=C(NCCc1ccccc1)c1ccccn1 ZINC000003334151 182204871 /nfs/dbraw/zinc/20/48/71/182204871.db2.gz RJIWORZDUGBXNH-UHFFFAOYSA-N 0 0 226.279 2.054 50 0 BEAARN O=C(NCCc1ccccn1)c1ccc(F)cc1 ZINC000021773650 182205509 /nfs/dbraw/zinc/20/55/09/182205509.db2.gz YXSTZUDQEIXXGH-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCn1cccc1)[C@H]1C[C@H]1c1ccco1 ZINC000096449883 182213268 /nfs/dbraw/zinc/21/32/68/182213268.db2.gz XQOQKFLYYGFBKS-NEPJUHHUSA-N 0 0 244.294 2.001 50 0 BEAARN O=C(NCCc1ccco1)NCc1ccccc1 ZINC000032797256 182207173 /nfs/dbraw/zinc/20/71/73/182207173.db2.gz NBTIWGJJSNYXNH-UHFFFAOYSA-N 0 0 244.294 2.322 50 0 BEAARN O=C(NCCc1cccnc1)c1cccc(F)c1 ZINC000032348099 182208073 /nfs/dbraw/zinc/20/80/73/182208073.db2.gz RAXWJXOBRKMIRX-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccncc1)NC1CCCCC1 ZINC000000104417 182208511 /nfs/dbraw/zinc/20/85/11/182208511.db2.gz XUPGANVQJLTRNJ-UHFFFAOYSA-N 0 0 247.342 2.256 50 0 BEAARN Cc1nc(C)c(CC(=O)N2CCCCC2)s1 ZINC000041179563 374118780 /nfs/dbraw/zinc/11/87/80/374118780.db2.gz ABBJLRJUELSNFZ-UHFFFAOYSA-N 0 0 238.356 2.315 50 0 BEAARN CC(=O)Nc1ccc2c(c1)CCN2C(=O)C(C)C ZINC000041346716 374134644 /nfs/dbraw/zinc/13/46/44/374134644.db2.gz JSUROPAVEAQCQF-UHFFFAOYSA-N 0 0 246.310 2.190 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1c[nH]c2ccccc12 ZINC000035133708 182239788 /nfs/dbraw/zinc/23/97/88/182239788.db2.gz DMSKQVNWVAPHAO-SNVBAGLBSA-N 0 0 244.294 2.077 50 0 BEAARN CC(C)(C)NC(=O)CNc1cc(F)cc(F)c1 ZINC000009494981 374142524 /nfs/dbraw/zinc/14/25/24/374142524.db2.gz FBLNGOHXWVQKGC-UHFFFAOYSA-N 0 0 242.269 2.291 50 0 BEAARN O=C(NC[C@H]1CCCS1)C1CCCC1 ZINC000089818027 182241494 /nfs/dbraw/zinc/24/14/94/182241494.db2.gz CBZYWHMMWNBDDB-SNVBAGLBSA-N 0 0 213.346 2.188 50 0 BEAARN O=C(NCc1ccc2c(c1)OCO2)C1CCCC1 ZINC000000253657 182252540 /nfs/dbraw/zinc/25/25/40/182252540.db2.gz PLEKNUDTGJZQKG-UHFFFAOYSA-N 0 0 247.294 2.222 50 0 BEAARN O=C(NCc1c[nH]c2ccccc12)C1CC1 ZINC000041340930 182248166 /nfs/dbraw/zinc/24/81/66/182248166.db2.gz DXSRDJQTNHTUPE-UHFFFAOYSA-N 0 0 214.268 2.194 50 0 BEAARN Cc1ccc(CN2C(=O)c3ccccc3[C@H]2O)o1 ZINC000009669326 374191519 /nfs/dbraw/zinc/19/15/19/374191519.db2.gz LPQBIFUDGPCYHK-CYBMUJFWSA-N 0 0 243.262 2.235 50 0 BEAARN O=C(NCc1ccco1)c1cc(C2CC2)on1 ZINC000002497933 182263316 /nfs/dbraw/zinc/26/33/16/182263316.db2.gz GOTXIZIZJLPCES-UHFFFAOYSA-N 0 0 232.239 2.075 50 0 BEAARN O=C(NCc1ccco1)c1c(F)cccc1F ZINC000003476682 182263361 /nfs/dbraw/zinc/26/33/61/182263361.db2.gz PERMJRFUIZFDQC-UHFFFAOYSA-N 0 0 237.205 2.488 50 0 BEAARN O=C(NCc1ccccc1)NCc1ccncc1 ZINC000041319877 182256128 /nfs/dbraw/zinc/25/61/28/182256128.db2.gz NRLOOJHABOPWIB-UHFFFAOYSA-N 0 0 241.294 2.081 50 0 BEAARN O=C(NCc1ccccc1)c1ccc(O)cc1 ZINC000000131998 182257415 /nfs/dbraw/zinc/25/74/15/182257415.db2.gz FVQDRWUYZFPHLU-UHFFFAOYSA-N 0 0 227.263 2.322 50 0 BEAARN O=C(NCc1ccccc1F)c1ccco1 ZINC000001055241 182257901 /nfs/dbraw/zinc/25/79/01/182257901.db2.gz MFLITOBGAHMACJ-UHFFFAOYSA-N 0 0 219.215 2.349 50 0 BEAARN CC(C)COc1ccc(C(=O)NC2CC2)cn1 ZINC000042566771 374274700 /nfs/dbraw/zinc/27/47/00/374274700.db2.gz HZCGQSXBPMUJMS-UHFFFAOYSA-N 0 0 234.299 2.009 50 0 BEAARN O=C(NCc1ccccn1)c1ccccc1 ZINC000000142416 182259344 /nfs/dbraw/zinc/25/93/44/182259344.db2.gz JHBTVPLZRMXZKD-UHFFFAOYSA-N 0 0 212.252 2.012 50 0 BEAARN O=C(NCc1ccccn1)c1c(F)cccc1F ZINC000000483783 182259638 /nfs/dbraw/zinc/25/96/38/182259638.db2.gz OTLBLRLTSGWWNI-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccccn1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000005044990 182259655 /nfs/dbraw/zinc/25/96/55/182259655.db2.gz WPKAHZWKGMWFDM-DMDPSCGWSA-N 0 0 230.311 2.134 50 0 BEAARN O=C(NCc1cccnc1)C1CCCCC1 ZINC000000341782 182259722 /nfs/dbraw/zinc/25/97/22/182259722.db2.gz RKIRABOXDBYFGX-UHFFFAOYSA-N 0 0 218.300 2.278 50 0 BEAARN O=C(NCc1ccccn1)c1cc(F)cc(F)c1 ZINC000006045919 182260189 /nfs/dbraw/zinc/26/01/89/182260189.db2.gz ZAQFSWPPLKPWOU-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccco1)C1CCCCC1 ZINC000000401804 182261101 /nfs/dbraw/zinc/26/11/01/182261101.db2.gz INLHVHCDKOBBFM-UHFFFAOYSA-N 0 0 207.273 2.476 50 0 BEAARN COC[C@H](C)NC(=O)N(C)[C@H](C)C(C)(C)C ZINC000071798663 374293399 /nfs/dbraw/zinc/29/33/99/374293399.db2.gz VFIYYQPQQUKAOY-VHSXEESVSA-N 0 0 230.352 2.097 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)NOC ZINC000071802050 374293522 /nfs/dbraw/zinc/29/35/22/374293522.db2.gz KUYDNCMSIMVXAB-SECBINFHSA-N 0 0 202.298 2.063 50 0 BEAARN C/C=C/C=C\C(=O)Nc1ccc(=O)n(CCC)c1 ZINC000096310157 206044777 /nfs/dbraw/zinc/04/47/77/206044777.db2.gz KQEUQNZWNUBRRL-WZWXSLMZSA-N 0 0 246.310 2.329 50 0 BEAARN O=C(N[C@@H]1CCCc2occc21)C1CC1 ZINC000070250673 182301930 /nfs/dbraw/zinc/30/19/30/182301930.db2.gz WLVVDNYQVVUUSL-SNVBAGLBSA-N 0 0 205.257 2.183 50 0 BEAARN CCCCNC(=O)c1ccc2nc(N)sc2c1 ZINC000020154884 168862379 /nfs/dbraw/zinc/86/23/79/168862379.db2.gz MYXQABVWFYDURQ-UHFFFAOYSA-N 0 0 249.339 2.408 50 0 BEAARN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000001054245 182334694 /nfs/dbraw/zinc/33/46/94/182334694.db2.gz XVIUKCDSHXKHEU-UONOGXRCSA-N 0 0 245.322 2.359 50 0 BEAARN CCCCNC(=S)NCc1ccccc1 ZINC000002691717 168865466 /nfs/dbraw/zinc/86/54/66/168865466.db2.gz GYECBEHUJMLITE-UHFFFAOYSA-N 0 0 222.357 2.451 50 0 BEAARN O=C(N[C@H]1CC[C@H](F)C1)c1cccc(O)c1 ZINC000336432109 182339471 /nfs/dbraw/zinc/33/94/71/182339471.db2.gz PVVPYSRVMFTSNJ-UWVGGRQHSA-N 0 0 223.247 2.013 50 0 BEAARN O=C(N[C@H]1CCc2ccccc21)c1ccccn1 ZINC000048413046 182340562 /nfs/dbraw/zinc/34/05/62/182340562.db2.gz JUDABKBJNFUEOD-ZDUSSCGKSA-N 0 0 238.290 2.499 50 0 BEAARN O=C(Nc1ccc(F)cc1F)C1CCOCC1 ZINC000024635992 182356819 /nfs/dbraw/zinc/35/68/19/182356819.db2.gz XDQTZXVTKUFACY-UHFFFAOYSA-N 0 0 241.237 2.330 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)C(=O)c1ccc[nH]1 ZINC000065083546 182352152 /nfs/dbraw/zinc/35/21/52/182352152.db2.gz NLIGXQNNNWHMRH-UHFFFAOYSA-N 0 0 248.669 2.490 50 0 BEAARN O=C(Nc1ccc(Cl)cc1O)[C@H]1CCCO1 ZINC000096484158 182353860 /nfs/dbraw/zinc/35/38/60/182353860.db2.gz KLGNXSWHPGNCED-SNVBAGLBSA-N 0 0 241.674 2.163 50 0 BEAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000000483430 182357008 /nfs/dbraw/zinc/35/70/08/182357008.db2.gz WQLUHPVQWCBGFK-JTQLQIEISA-N 0 0 227.210 2.082 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1 ZINC000000028525 182354641 /nfs/dbraw/zinc/35/46/41/182354641.db2.gz NQZSOSXQUPMCTP-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1ccc(F)cc1)c1ccncc1 ZINC000000361712 182356434 /nfs/dbraw/zinc/35/64/34/182356434.db2.gz WSJKQVNKRSGJES-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1cc(-c2ccncc2)no1)C1CC1 ZINC000096183271 182346674 /nfs/dbraw/zinc/34/66/74/182346674.db2.gz HQMWUUXIJHQOSE-UHFFFAOYSA-N 0 0 229.239 2.085 50 0 BEAARN O=C(Nc1cc(-c2cccnc2)no1)C1CCC1 ZINC000065152650 182346966 /nfs/dbraw/zinc/34/69/66/182346966.db2.gz UFEPEKKMVWRBSG-UHFFFAOYSA-N 0 0 243.266 2.475 50 0 BEAARN O=C(Nc1cc(Cl)ccc1O)[C@@H]1CCCO1 ZINC000002881383 182347956 /nfs/dbraw/zinc/34/79/56/182347956.db2.gz XPCIKRGSXBDNFC-JTQLQIEISA-N 0 0 241.674 2.163 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1csnn1 ZINC000008673443 182368021 /nfs/dbraw/zinc/36/80/21/182368021.db2.gz AZAANMFYJCSKOT-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=C(Nc1ccc(O)c(Cl)c1)c1ccnnc1 ZINC000096500452 182359907 /nfs/dbraw/zinc/35/99/07/182359907.db2.gz ZBSMUXUAKVOEKT-UHFFFAOYSA-N 0 0 249.657 2.088 50 0 BEAARN O=C(Nc1ccc(O)cc1)N1CCCCC1 ZINC000000106583 182360260 /nfs/dbraw/zinc/36/02/60/182360260.db2.gz LFMZTZPPJIZPKZ-UHFFFAOYSA-N 0 0 220.272 2.410 50 0 BEAARN O=C(Nc1ccc2n[nH]cc2c1)C1CCC1 ZINC000006700483 182362056 /nfs/dbraw/zinc/36/20/56/182362056.db2.gz GXJXOQKXBIPBKB-UHFFFAOYSA-N 0 0 215.256 2.302 50 0 BEAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCCC1 ZINC000016973518 182364344 /nfs/dbraw/zinc/36/43/44/182364344.db2.gz VXNZFUDCLKTVIE-UHFFFAOYSA-N 0 0 248.282 2.086 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)c1ccoc1 ZINC000012852530 182365501 /nfs/dbraw/zinc/36/55/01/182365501.db2.gz BVGMJASMOURUEC-UHFFFAOYSA-N 0 0 231.207 2.261 50 0 BEAARN O=C(Nc1cccc(-n2cccn2)c1)NC1CC1 ZINC000048488864 182366519 /nfs/dbraw/zinc/36/65/19/182366519.db2.gz GEXATVQMWIYNLQ-UHFFFAOYSA-N 0 0 242.282 2.156 50 0 BEAARN O=C(Nc1ccc[nH]c1=O)OCc1ccccc1 ZINC000038841479 182366846 /nfs/dbraw/zinc/36/68/46/182366846.db2.gz MAJFINHRLBJIQL-UHFFFAOYSA-N 0 0 244.250 2.124 50 0 BEAARN O=C(Nc1ccccc1)Nc1cnccn1 ZINC000006741194 182376090 /nfs/dbraw/zinc/37/60/90/182376090.db2.gz OYJGNHLJWVGHTI-UHFFFAOYSA-N 0 0 214.228 2.121 50 0 BEAARN O=C(Nc1ccccc1Cl)N1CCOCC1 ZINC000000396472 182377866 /nfs/dbraw/zinc/37/78/66/182377866.db2.gz UHWYGTLTHZSVMT-UHFFFAOYSA-N 0 0 240.690 2.204 50 0 BEAARN O=C(Nc1cccc(CO)c1)c1ccccc1 ZINC000008166144 182368776 /nfs/dbraw/zinc/36/87/76/182368776.db2.gz QSLDWTSTSNGXQT-UHFFFAOYSA-N 0 0 227.263 2.431 50 0 BEAARN O=C(Nc1cccc(F)c1)C1CCOCC1 ZINC000025131998 182370037 /nfs/dbraw/zinc/37/00/37/182370037.db2.gz UAVCLBFZPSWCNN-UHFFFAOYSA-N 0 0 223.247 2.191 50 0 BEAARN O=C(Nc1cccc(O)c1)C1CC(F)(F)C1 ZINC000334870633 182371088 /nfs/dbraw/zinc/37/10/88/182371088.db2.gz UQGVOAWUIBLVQH-UHFFFAOYSA-N 0 0 227.210 2.376 50 0 BEAARN O=C(Nc1cn[nH]c1)c1ccc(Cl)s1 ZINC000035237554 182392735 /nfs/dbraw/zinc/39/27/35/182392735.db2.gz YISZNAJFYYEAIB-UHFFFAOYSA-N 0 0 227.676 2.377 50 0 BEAARN O=C(Nc1cccnc1)N1CCC=C(F)C1 ZINC000272586691 182382880 /nfs/dbraw/zinc/38/28/80/182382880.db2.gz NHZPQKGSSLKJNA-UHFFFAOYSA-N 0 0 221.235 2.173 50 0 BEAARN O=C(Nc1cccnc1)NC(C1CC1)C1CC1 ZINC000032899885 182383105 /nfs/dbraw/zinc/38/31/05/182383105.db2.gz XKEMSVWPQWAVPV-UHFFFAOYSA-N 0 0 231.299 2.392 50 0 BEAARN O=C(Nc1cccnc1)c1ccc(O)cc1 ZINC000008910971 182383826 /nfs/dbraw/zinc/38/38/26/182383826.db2.gz GWJCQSOGHIMWCI-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1cccnc1-n1cccn1)C1CCC1 ZINC000025012972 182385560 /nfs/dbraw/zinc/38/55/60/182385560.db2.gz VGUSMRXILOXJEO-UHFFFAOYSA-N 0 0 242.282 2.006 50 0 BEAARN O=C(Nc1ccncc1)c1ccc(F)cc1 ZINC000000854689 182386748 /nfs/dbraw/zinc/38/67/48/182386748.db2.gz DPMZMSGLJJFLMW-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccncc1)c1ccc2c(c1)OCO2 ZINC000000276716 182386750 /nfs/dbraw/zinc/38/67/50/182386750.db2.gz AJZCATDIDCDYBY-UHFFFAOYSA-N 0 0 242.234 2.063 50 0 BEAARN O=C(Nc1ccncc1F)[C@@H]1CCCS1 ZINC000122967539 182387255 /nfs/dbraw/zinc/38/72/55/182387255.db2.gz QRCRYQYQLMPKSH-VIFPVBQESA-N 0 0 226.276 2.055 50 0 BEAARN O=C(Nc1ccncc1)c1cccc(F)c1 ZINC000000064851 182387514 /nfs/dbraw/zinc/38/75/14/182387514.db2.gz CLTWXEOKGHKFQX-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccncc1F)c1ccncc1F ZINC000097032097 182387661 /nfs/dbraw/zinc/38/76/61/182387661.db2.gz WNAJEBDFVBCARN-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1ccon1)c1cccc(F)c1 ZINC000013745732 182388636 /nfs/dbraw/zinc/38/86/36/182388636.db2.gz BCOBEEKCIGTXCV-UHFFFAOYSA-N 0 0 206.176 2.066 50 0 BEAARN O=C(Nc1nc2c(s1)CCC2)C1CCC1 ZINC000009449103 182398357 /nfs/dbraw/zinc/39/83/57/182398357.db2.gz KUUYSKLELFHKEL-UHFFFAOYSA-N 0 0 222.313 2.370 50 0 BEAARN O=C(Nc1nccs1)[C@H]1CC=CCC1 ZINC000008428899 182402010 /nfs/dbraw/zinc/40/20/10/182402010.db2.gz BQFZGTDKJXHBIO-QMMMGPOBSA-N 0 0 208.286 2.438 50 0 BEAARN O=C(Nc1nccs1)c1ccc(O)cc1 ZINC000005569548 182402054 /nfs/dbraw/zinc/40/20/54/182402054.db2.gz CTQNWFBTVDVVIC-UHFFFAOYSA-N 0 0 220.253 2.101 50 0 BEAARN O=C(Nc1cnccn1)c1scnc1C1CC1 ZINC000097146280 182395012 /nfs/dbraw/zinc/39/50/12/182395012.db2.gz DEGWKRLADDKQBK-UHFFFAOYSA-N 0 0 246.295 2.063 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000095919633 182512261 /nfs/dbraw/zinc/51/22/61/182512261.db2.gz XBDRUHSCAZBDLY-NEPJUHHUSA-N 0 0 237.274 2.169 50 0 BEAARN CCCCNc1ncnc2c(C)nn(CC)c21 ZINC000057280052 168882310 /nfs/dbraw/zinc/88/23/10/168882310.db2.gz RBXZSABIQXADEA-UHFFFAOYSA-N 0 0 233.319 2.367 50 0 BEAARN O=C([O-])c1ccccc1C[NH+]1CCCCC1 ZINC000011958773 182581144 /nfs/dbraw/zinc/58/11/44/182581144.db2.gz SETGNIQLYMGVGH-UHFFFAOYSA-N 0 0 219.284 2.371 50 0 BEAARN O=C([C@@H]1CCCO1)N1CCC2(CCCC2)CC1 ZINC000097002418 182617136 /nfs/dbraw/zinc/61/71/36/182617136.db2.gz DLKZIAFBOJAYRK-LBPRGKRZSA-N 0 0 237.343 2.348 50 0 BEAARN O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCC1 ZINC000336284948 182626747 /nfs/dbraw/zinc/62/67/47/182626747.db2.gz IKFIGNGXDAOQKO-WCQYABFASA-N 0 0 219.259 2.104 50 0 BEAARN O=C(c1c(F)cccc1F)N1CCSCC1 ZINC000000140252 182644806 /nfs/dbraw/zinc/64/48/06/182644806.db2.gz TWWOFABCYQCWRY-UHFFFAOYSA-N 0 0 243.278 2.154 50 0 BEAARN O=C(c1ccc(Cl)cc1)c1cnccn1 ZINC000037658100 182658440 /nfs/dbraw/zinc/65/84/40/182658440.db2.gz YXRYQDHLSKMOAL-UHFFFAOYSA-N 0 0 218.643 2.361 50 0 BEAARN CCOC(=O)CSc1ccc(F)cc1 ZINC000001704959 170230254 /nfs/dbraw/zinc/23/02/54/170230254.db2.gz PYQLHKPECXGPEV-UHFFFAOYSA-N 0 0 214.261 2.481 50 0 BEAARN O=C(c1cccc(Cl)c1)n1cccn1 ZINC000006331043 182671124 /nfs/dbraw/zinc/67/11/24/182671124.db2.gz COLMYRVYHVKEEX-UHFFFAOYSA-N 0 0 206.632 2.225 50 0 BEAARN O=C(c1ccco1)N1CCO[C@H]2CCCC[C@H]21 ZINC000041194583 182685149 /nfs/dbraw/zinc/68/51/49/182685149.db2.gz FVODVCOPXMIWGK-MNOVXSKESA-N 0 0 235.283 2.063 50 0 BEAARN O=C(c1cccs1)N1CCSC1=S ZINC000005234656 182687260 /nfs/dbraw/zinc/68/72/60/182687260.db2.gz ZSGVXCMEPFZSKZ-UHFFFAOYSA-N 0 0 229.351 2.222 50 0 BEAARN CCCCOCC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077470847 168893419 /nfs/dbraw/zinc/89/34/19/168893419.db2.gz BWSLAAPOOKMKLH-AVGNSLFASA-N 0 0 239.359 2.498 50 0 BEAARN O=C1Nc2ccccc2C1(Cl)Cl ZINC000000118883 182824615 /nfs/dbraw/zinc/82/46/15/182824615.db2.gz WGGLCBPNOIWKDL-UHFFFAOYSA-N 0 0 202.040 2.269 50 0 BEAARN O=C1O[C@@H](Nc2ccccn2)c2ccccc21 ZINC000019375069 182836481 /nfs/dbraw/zinc/83/64/81/182836481.db2.gz ZWWHJIJWPUEHHW-GFCCVEGCSA-N 0 0 226.235 2.363 50 0 BEAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccccc1 ZINC000100006737 182841048 /nfs/dbraw/zinc/84/10/48/182841048.db2.gz QJDASFMHCXUEQK-RYUDHWBXSA-N 0 0 227.263 2.142 50 0 BEAARN O=Cc1ccc(Br)nc1Cl ZINC000035270459 182866733 /nfs/dbraw/zinc/86/67/33/182866733.db2.gz SVKNHWDBCZRAOC-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN O=Cc1ccc(Cl)c(Br)n1 ZINC000098180031 182867647 /nfs/dbraw/zinc/86/76/47/182867647.db2.gz RBAMWVMJQOCGBH-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN O=S1(=O)C2CCCC1(Cl)CCC2 ZINC000001721821 182906382 /nfs/dbraw/zinc/90/63/82/182906382.db2.gz UOLCEMNGHMNNEW-UHFFFAOYSA-N 0 0 208.710 2.073 50 0 BEAARN O=S1(=O)C[C@@H]2CC=C3CCCC[C@H]3[C@@H]2C1 ZINC000045027906 182916356 /nfs/dbraw/zinc/91/63/56/182916356.db2.gz IDUKJPBRTFHNFG-QJPTWQEYSA-N 0 0 226.341 2.168 50 0 BEAARN CCCCOc1ccc(CNC=O)cc1OC ZINC000038534540 168918249 /nfs/dbraw/zinc/91/82/49/168918249.db2.gz ZLLKFQGVGUBJAB-UHFFFAOYSA-N 0 0 237.299 2.120 50 0 BEAARN O=S1(=O)N=C(c2ccccc2)c2ccccc21 ZINC000000482060 182916446 /nfs/dbraw/zinc/91/64/46/182916446.db2.gz YPLQGVAADBDXSF-UHFFFAOYSA-N 0 0 243.287 2.226 50 0 BEAARN CCCCOc1nc(Cl)nc(Cl)n1 ZINC000002019431 168920763 /nfs/dbraw/zinc/92/07/63/168920763.db2.gz ZTNVNAIEXWYGML-UHFFFAOYSA-N 0 0 222.075 2.357 50 0 BEAARN CCCCSc1nnc(NCCOC)s1 ZINC000057934160 168933676 /nfs/dbraw/zinc/93/36/76/168933676.db2.gz YTHDAVVLKFNYNA-UHFFFAOYSA-N 0 0 247.389 2.489 50 0 BEAARN O=c1[nH]c2ccc(NCc3ccccc3)cc2[nH]1 ZINC000020095038 182974637 /nfs/dbraw/zinc/97/46/37/182974637.db2.gz ORRDUIPRYVFHES-UHFFFAOYSA-N 0 0 239.278 2.468 50 0 BEAARN O=c1[nH]nc(C2CC2)n1-c1cccc(Cl)c1 ZINC000065498868 182981368 /nfs/dbraw/zinc/98/13/68/182981368.db2.gz HNQYEBDHQSTAAH-UHFFFAOYSA-N 0 0 235.674 2.091 50 0 BEAARN O=c1c2c(oc3c1CCCC3)CCCC2 ZINC000000564588 182986933 /nfs/dbraw/zinc/98/69/33/182986933.db2.gz AHIKXGLHQISDDG-UHFFFAOYSA-N 0 0 204.269 2.397 50 0 BEAARN O=c1c2c3c(sc2nc2n1CCCC2)CCC3 ZINC000000432754 182986936 /nfs/dbraw/zinc/98/69/36/182986936.db2.gz RQFKWTAEJKRDBY-UHFFFAOYSA-N 0 0 246.335 2.283 50 0 BEAARN O=c1ccc(-c2nc(-c3ccsc3)no2)c[nH]1 ZINC000072333121 182998743 /nfs/dbraw/zinc/99/87/43/182998743.db2.gz SDPLLCQREOLXST-UHFFFAOYSA-N 0 0 245.263 2.153 50 0 BEAARN O=c1ccccn1Cc1cccc2cccnc21 ZINC000022134465 183002379 /nfs/dbraw/zinc/00/23/79/183002379.db2.gz BLKOKLWHKVMQOG-UHFFFAOYSA-N 0 0 236.274 2.445 50 0 BEAARN O=c1ccccn1Cc1cc(-c2ccco2)on1 ZINC000032764925 183002696 /nfs/dbraw/zinc/00/26/96/183002696.db2.gz GFUMULUFIXBFMZ-UHFFFAOYSA-N 0 0 242.234 2.145 50 0 BEAARN O=c1cnnc(Nc2ccc3ccccc3c2)[n-]1 ZINC000011990576 183007927 /nfs/dbraw/zinc/00/79/27/183007927.db2.gz ODVWGXNHKBYQCX-UHFFFAOYSA-N 0 0 238.250 2.062 50 0 BEAARN O=c1nc2cccccc-2n1Cc1ccccc1 ZINC000000001002 183010899 /nfs/dbraw/zinc/01/08/99/183010899.db2.gz PUDJZXFLQHLFGS-UHFFFAOYSA-N 0 0 236.274 2.396 50 0 in-man BEAARN OC1(c2cn3ccccc3n2)CCCCC1 ZINC000004343079 183023261 /nfs/dbraw/zinc/02/32/61/183023261.db2.gz IZLKWBSMKYFWHR-UHFFFAOYSA-N 0 0 216.284 2.486 50 0 BEAARN OCC1(Nc2ccc(Cl)cn2)CCC1 ZINC000095459732 183040045 /nfs/dbraw/zinc/04/00/45/183040045.db2.gz YMDCKHZUYSORNR-UHFFFAOYSA-N 0 0 212.680 2.062 50 0 BEAARN OCCCNc1ccc(-c2ccc(F)cc2)nn1 ZINC000020723024 183060098 /nfs/dbraw/zinc/06/00/98/183060098.db2.gz VHYYPWBLTMLNNS-UHFFFAOYSA-N 0 0 247.273 2.077 50 0 BEAARN OCCN(Cc1cccc(Cl)c1)CC(F)F ZINC000191521446 183070218 /nfs/dbraw/zinc/07/02/18/183070218.db2.gz HJHVRPGIMPEJJR-UHFFFAOYSA-N 0 0 249.688 2.399 50 0 BEAARN CCCC[C@H](CC(F)(F)F)C(O)O ZINC000014628468 168993343 /nfs/dbraw/zinc/99/33/43/168993343.db2.gz ZAEIQOLUTRNIRG-ZCFIWIBFSA-N 0 0 200.200 2.056 50 0 BEAARN CCCC[C@H](N)C(=O)OCc1ccccc1 ZINC000095929142 169009120 /nfs/dbraw/zinc/00/91/20/169009120.db2.gz VHHCAGBVYBIOCK-LBPRGKRZSA-N 0 0 221.300 2.247 50 0 BEAARN OCCc1ccc(OC(F)(F)F)cc1 ZINC000025724370 183099801 /nfs/dbraw/zinc/09/98/01/183099801.db2.gz RILZRCJGXSFXNE-UHFFFAOYSA-N 0 0 206.163 2.120 50 0 BEAARN CCCC[C@H](CCC)NC(=O)N1CCOCC1 ZINC000096452414 169001686 /nfs/dbraw/zinc/00/16/86/169001686.db2.gz NCNWOQVKVQLTRC-LBPRGKRZSA-N 0 0 242.363 2.387 50 0 BEAARN CCCC[S@](=O)Cc1nc(C(C)(C)C)no1 ZINC000086967016 169016945 /nfs/dbraw/zinc/01/69/45/169016945.db2.gz KFLHMFGOAATJDS-MRXNPFEDSA-N 0 0 244.360 2.416 50 0 BEAARN OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000000217687 183150013 /nfs/dbraw/zinc/15/00/13/183150013.db2.gz PTWVMZJVTUNJRO-JTQLQIEISA-N 0 0 241.281 2.169 50 0 BEAARN CCCCn1nnnc1NCc1cccs1 ZINC000002181848 169041064 /nfs/dbraw/zinc/04/10/64/169041064.db2.gz ZALYLQWBVSQZSX-UHFFFAOYSA-N 0 0 237.332 2.147 50 0 BEAARN OCc1cc(-c2ccc3c(c2)CCO3)ccn1 ZINC000065459715 183160876 /nfs/dbraw/zinc/16/08/76/183160876.db2.gz DBUAWODTGUEUQI-UHFFFAOYSA-N 0 0 227.263 2.176 50 0 BEAARN OCc1cc(-c2cccc(Cl)c2)no1 ZINC000057496017 183160894 /nfs/dbraw/zinc/16/08/94/183160894.db2.gz OHRGKDSKISQNMO-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN OCc1cc(Cl)cc(C(F)(F)F)n1 ZINC000095802976 183161265 /nfs/dbraw/zinc/16/12/65/183161265.db2.gz QACHFVIBFCZRLP-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1cc(Cl)ncc1C(F)(F)F ZINC000095616341 183161633 /nfs/dbraw/zinc/16/16/33/183161633.db2.gz RUAVABQEWBMUDY-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1ccc(OCc2ccccn2)cc1 ZINC000020031129 183166122 /nfs/dbraw/zinc/16/61/22/183166122.db2.gz VMMKMDLPUUZFNZ-UHFFFAOYSA-N 0 0 215.252 2.153 50 0 BEAARN O[C@@H]1CNc2c1c(Br)ccc2F ZINC000169725902 183207652 /nfs/dbraw/zinc/20/76/52/183207652.db2.gz IYZRFJBYSURMRH-ZCFIWIBFSA-N 0 0 232.052 2.047 50 0 BEAARN O[C@H](Cc1nc(C2CC2)no1)c1cccc(F)c1 ZINC000170085483 183228802 /nfs/dbraw/zinc/22/88/02/183228802.db2.gz NYLCLCOPTTYDOA-LLVKDONJSA-N 0 0 248.257 2.362 50 0 BEAARN O[C@H](c1ccccn1)C(F)(F)C(F)(F)F ZINC000002528689 183230298 /nfs/dbraw/zinc/23/02/98/183230298.db2.gz HVCIJUHXCQINBC-ZCFIWIBFSA-N 0 0 227.132 2.313 50 0 BEAARN O[C@H]1C=CSc2nc3ccccc3n21 ZINC000002441925 183230308 /nfs/dbraw/zinc/23/03/08/183230308.db2.gz KPQGNYZDIOWNDF-VIFPVBQESA-N 0 0 204.254 2.147 50 0 BEAARN O[C@H](c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000042268742 183230578 /nfs/dbraw/zinc/23/05/78/183230578.db2.gz FFYRLQHGYWNWAI-SNVBAGLBSA-N 0 0 242.200 2.468 50 0 BEAARN O[C@@H]1C[C@@H](C(F)(F)F)Oc2ccccc21 ZINC000006658013 183211583 /nfs/dbraw/zinc/21/15/83/183211583.db2.gz ZEOOCEWBCFKVAA-APPZFPTMSA-N 0 0 218.174 2.433 50 0 BEAARN O[C@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NO1 ZINC000000187720 183250955 /nfs/dbraw/zinc/25/09/55/183250955.db2.gz FIIZCXABWYGMAX-SECBINFHSA-N 0 0 249.163 2.201 50 0 BEAARN O=c1c(Br)c[nH]c2ncccc12 ZINC000075260720 183252949 /nfs/dbraw/zinc/25/29/49/183252949.db2.gz XRCADRJXXVIKLG-UHFFFAOYSA-N 0 0 225.045 2.098 50 0 BEAARN O[C@H]1CCCC[C@H]1Nc1cnc2ccccc2n1 ZINC000052017660 183233958 /nfs/dbraw/zinc/23/39/58/183233958.db2.gz FOZZXLCUKUDMOT-OLZOCXBDSA-N 0 0 243.310 2.345 50 0 BEAARN Oc1ccc(OCc2ccccc2)nc1 ZINC000012359422 183277507 /nfs/dbraw/zinc/27/75/07/183277507.db2.gz VKPWAEVWZUALPZ-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN CCCN(CCC)C(=O)c1cc(C)no1 ZINC000040472874 169144403 /nfs/dbraw/zinc/14/44/03/169144403.db2.gz CRPMGLBERAOYFG-UHFFFAOYSA-N 0 0 210.277 2.245 50 0 BEAARN Oc1cc2ccccc2cc1-n1cnnc1 ZINC000065406117 183262895 /nfs/dbraw/zinc/26/28/95/183262895.db2.gz CXBAIICFGLQLDY-UHFFFAOYSA-N 0 0 211.224 2.126 50 0 BEAARN Oc1cccc(C2OCCO2)c1Br ZINC000096032279 183288237 /nfs/dbraw/zinc/28/82/37/183288237.db2.gz TTYJRRVBSDEWIN-UHFFFAOYSA-N 0 0 245.072 2.200 50 0 BEAARN Oc1cccc(F)c1I ZINC000026896238 183292580 /nfs/dbraw/zinc/29/25/80/183292580.db2.gz XHWGAGHBXFURTC-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN Oc1cnc(Cl)c(Br)c1 ZINC000021981914 183304765 /nfs/dbraw/zinc/30/47/65/183304765.db2.gz XUROMMQAFZTGAW-UHFFFAOYSA-N 0 0 208.442 2.203 50 0 BEAARN S=c1[nH]c2cc(Br)cnc2[nH]1 ZINC000016383456 183314043 /nfs/dbraw/zinc/31/40/43/183314043.db2.gz AOLQXGYCKFKIPQ-UHFFFAOYSA-N 0 0 230.090 2.383 50 0 BEAARN CCCN1CC(=O)N(c2ccccc2C)C1=O ZINC000170613907 169185197 /nfs/dbraw/zinc/18/51/97/169185197.db2.gz LWSCLDLNRPNXNO-UHFFFAOYSA-N 0 0 232.283 2.174 50 0 BEAARN [O-][n+]1ccccc1Oc1cnc2ccccc2n1 ZINC000041872680 183318536 /nfs/dbraw/zinc/31/85/36/183318536.db2.gz AIVYZMVFNAEYHR-UHFFFAOYSA-N 0 0 239.234 2.056 50 0 BEAARN [O-][n+]1ccc(CCCc2ccccc2)cc1 ZINC000000057082 183318699 /nfs/dbraw/zinc/31/86/99/183318699.db2.gz OOFBEJNEUVLZOW-UHFFFAOYSA-N 0 0 213.280 2.495 50 0 BEAARN c1cc(-c2nnc(-c3ccncc3)o2)ccn1 ZINC000000078963 183332259 /nfs/dbraw/zinc/33/22/59/183332259.db2.gz FFGFSQOCKQVECP-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN O=c1nc2ccc(Br)cc2c[nH]1 ZINC000036377978 183308715 /nfs/dbraw/zinc/30/87/15/183308715.db2.gz HNUYWQSBQPNNOB-UHFFFAOYSA-N 0 0 225.045 2.098 50 0 BEAARN O=C1N=NC(c2cccc(C(F)(F)F)c2)O1 ZINC000070030614 183309483 /nfs/dbraw/zinc/30/94/83/183309483.db2.gz HPLMGJHHMFZDTL-UHFFFAOYSA-N 0 0 230.145 2.461 50 0 BEAARN S=C(NC1CC1)NC1CCCCCC1 ZINC000001123758 183310920 /nfs/dbraw/zinc/31/09/20/183310920.db2.gz PZBZXTZJNQXBKZ-UHFFFAOYSA-N 0 0 212.362 2.336 50 0 BEAARN S=C(Nc1nncs1)Nc1ccccc1 ZINC000000436272 183311327 /nfs/dbraw/zinc/31/13/27/183311327.db2.gz CSUHGRXUQXQHRB-UHFFFAOYSA-N 0 0 236.325 2.347 50 0 in-vivo BEAARN S=C(c1c[nH]c2ccccc12)N1CCOCC1 ZINC000000253227 183312588 /nfs/dbraw/zinc/31/25/88/183312588.db2.gz LPNFNROQKIYLPG-UHFFFAOYSA-N 0 0 246.335 2.176 50 0 BEAARN S=C([C@H]1COc2ccccc2O1)N1CCCC1 ZINC000000536619 183312605 /nfs/dbraw/zinc/31/26/05/183312605.db2.gz WBWKEVIKBCODCW-GFCCVEGCSA-N 0 0 249.335 2.250 50 0 BEAARN CCCNC(=O)COc1ccc(CC)cc1 ZINC000004680598 169232003 /nfs/dbraw/zinc/23/20/03/169232003.db2.gz ROUOMULPPZVFOR-UHFFFAOYSA-N 0 0 221.300 2.154 50 0 BEAARN CCCNC(=O)Cc1cc(C)ccc1C ZINC000030851193 169233248 /nfs/dbraw/zinc/23/32/48/169233248.db2.gz FELCKTOSNOFHBE-UHFFFAOYSA-N 0 0 205.301 2.372 50 0 BEAARN CCCN1CNC(=S)N(C2CCCCC2)C1 ZINC000017194010 169210444 /nfs/dbraw/zinc/21/04/44/169210444.db2.gz VURBTPNLHSYBQW-UHFFFAOYSA-N 0 0 241.404 2.136 50 0 BEAARN CCCNC(=O)/C=C/c1ccc(OC)cc1 ZINC000002950966 169213054 /nfs/dbraw/zinc/21/30/54/169213054.db2.gz IQNMRDIXGOQPHA-RMKNXTFCSA-N 0 0 219.284 2.235 50 0 BEAARN CCCNC(=O)c1n[nH]c2c1CCCCCC2 ZINC000075337208 169253735 /nfs/dbraw/zinc/25/37/35/169253735.db2.gz GHIRORTVWQLUFL-UHFFFAOYSA-N 0 0 235.331 2.209 50 0 BEAARN c1cc2cc(OCCC3OCCO3)ccc2[nH]1 ZINC000095944884 183374974 /nfs/dbraw/zinc/37/49/74/183374974.db2.gz BLFWNABFRKFQOF-UHFFFAOYSA-N 0 0 233.267 2.310 50 0 BEAARN CCCNC(=O)N[C@H](C)c1cccc(O)c1 ZINC000068556336 169239536 /nfs/dbraw/zinc/23/95/36/169239536.db2.gz BANRENMIBKWENG-SECBINFHSA-N 0 0 222.288 2.162 50 0 BEAARN CCCNC(=O)Nc1ccsc1C(=O)OC ZINC000013323276 169239789 /nfs/dbraw/zinc/23/97/89/169239789.db2.gz CICSWMJHWXQJBN-UHFFFAOYSA-N 0 0 242.300 2.066 50 0 BEAARN CCCNC(=O)Nc1ccc2nccnc2c1 ZINC000006891018 169240224 /nfs/dbraw/zinc/24/02/24/169240224.db2.gz FKAVORCIYLDSQE-UHFFFAOYSA-N 0 0 230.271 2.161 50 0 BEAARN CCCNC(=O)Nc1ccc(OC)cc1 ZINC000002170974 169240371 /nfs/dbraw/zinc/24/03/71/169240371.db2.gz SSGMTUKNFVMAJI-UHFFFAOYSA-N 0 0 208.261 2.227 50 0 BEAARN c1nc(CN2CCOCC2)oc1-c1ccccc1 ZINC000040460351 183380945 /nfs/dbraw/zinc/38/09/45/183380945.db2.gz VCJKQPMOINUKJZ-UHFFFAOYSA-N 0 0 244.294 2.174 50 0 BEAARN c1ccc(-c2nc3ncc4c(n3n2)CCC4)cc1 ZINC000071376510 183383289 /nfs/dbraw/zinc/38/32/89/183383289.db2.gz RHRMIVQODPRMFL-UHFFFAOYSA-N 0 0 236.278 2.280 50 0 BEAARN c1ccc(-c2nnc(-c3ccccn3)o2)nc1 ZINC000000055058 183383907 /nfs/dbraw/zinc/38/39/07/183383907.db2.gz WEUZDURAHKERCC-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN c1ccc(-c2noc(CN3CCCC3)n2)cc1 ZINC000048368204 183384729 /nfs/dbraw/zinc/38/47/29/183384729.db2.gz JRHSEZRMZBDOHR-UHFFFAOYSA-N 0 0 229.283 2.332 50 0 BEAARN CCCNC(=O)c1ccc(-n2cccn2)cc1 ZINC000012861811 169250393 /nfs/dbraw/zinc/25/03/93/169250393.db2.gz ZDOYYZRZQPEAKX-UHFFFAOYSA-N 0 0 229.283 2.012 50 0 BEAARN CCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038857516 169251603 /nfs/dbraw/zinc/25/16/03/169251603.db2.gz LOJYBNLALLIHAR-UHFFFAOYSA-N 0 0 243.310 2.071 50 0 BEAARN CCCOC(=O)[C@H](C)Sc1nnc(C)s1 ZINC000095961276 169300755 /nfs/dbraw/zinc/30/07/55/169300755.db2.gz ZIXLOGBTIFKKTD-LURJTMIESA-N 0 0 246.357 2.280 50 0 BEAARN CCCOC(=O)c1ccc(-n2cccn2)cc1 ZINC000001807333 169300993 /nfs/dbraw/zinc/30/09/93/169300993.db2.gz UFEZQMYLRXOJMK-UHFFFAOYSA-N 0 0 230.267 2.439 50 0 BEAARN CCCO[C@@H](C)c1nc(-c2ccc(C)nn2)no1 ZINC000095503172 169311028 /nfs/dbraw/zinc/31/10/28/169311028.db2.gz LENXMIPCTOTJEB-VIFPVBQESA-N 0 0 248.286 2.323 50 0 BEAARN CCCNc1nc(C)c(C(=O)OCC)s1 ZINC000004294236 169295792 /nfs/dbraw/zinc/29/57/92/169295792.db2.gz IVEWAQJNZOLYPU-UHFFFAOYSA-N 0 0 228.317 2.450 50 0 BEAARN c1csc(-c2nnnn2Cc2ccccc2)c1 ZINC000000052802 183413994 /nfs/dbraw/zinc/41/39/94/183413994.db2.gz BDZFZUKXGZDPJE-UHFFFAOYSA-N 0 0 242.307 2.450 50 0 BEAARN CCCSc1nc(O)c([C@H](C)CC)c(=O)[nH]1 ZINC000005081193 169342062 /nfs/dbraw/zinc/34/20/62/169342062.db2.gz SPHSMTAROYKDFI-SSDOTTSWSA-N 0 0 242.344 2.491 50 0 BEAARN CCCSc1nc2ccccc2c(=O)[nH]1 ZINC000006645869 169342226 /nfs/dbraw/zinc/34/22/26/169342226.db2.gz UGHOIXMJQBAWQL-UHFFFAOYSA-N 0 0 220.297 2.425 50 0 BEAARN CCCOc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000079189284 169324086 /nfs/dbraw/zinc/32/40/86/169324086.db2.gz JUMCOUGWVXKBLS-UHFFFAOYSA-N 0 0 244.294 2.132 50 0 biogenic BEAARN CCCS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000057464776 169333012 /nfs/dbraw/zinc/33/30/12/169333012.db2.gz ZODXDINLKXMRFF-OUAUKWLOSA-N 0 0 233.377 2.141 50 0 BEAARN CCCS(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000057950391 169333190 /nfs/dbraw/zinc/33/31/90/169333190.db2.gz QZHSWBHQVZONRP-JTQLQIEISA-N 0 0 227.329 2.077 50 0 BEAARN CCCS(=O)(=O)N[C@H](C)c1ccc(C)s1 ZINC000048959769 169333507 /nfs/dbraw/zinc/33/35/07/169333507.db2.gz BYNUAGBPHNCTGZ-SECBINFHSA-N 0 0 247.385 2.447 50 0 BEAARN CCCSCC(=O)Nc1c(C)n[nH]c1C ZINC000063837688 169338170 /nfs/dbraw/zinc/33/81/70/169338170.db2.gz TXTJSVVQKPQRDA-UHFFFAOYSA-N 0 0 227.333 2.108 50 0 BEAARN CCCSCC(=O)N[C@H](C)c1ccccn1 ZINC000048678672 169338728 /nfs/dbraw/zinc/33/87/28/169338728.db2.gz GESZTCKHDOZGGH-SNVBAGLBSA-N 0 0 238.356 2.402 50 0 BEAARN CCC[C@@H](C)NC(=O)Nc1nccs1 ZINC000040490184 169368507 /nfs/dbraw/zinc/36/85/07/169368507.db2.gz FZUYNDXQOIUDGE-SSDOTTSWSA-N 0 0 213.306 2.453 50 0 BEAARN CCC[C@@H](C)NC(=O)c1ccc2c(c1)OCCO2 ZINC000013582478 169369134 /nfs/dbraw/zinc/36/91/34/169369134.db2.gz CCZUJECLVWQAOR-SNVBAGLBSA-N 0 0 249.310 2.376 50 0 BEAARN CCC[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000022623813 169369223 /nfs/dbraw/zinc/36/92/23/169369223.db2.gz HWVJNRFPINPLSN-SECBINFHSA-N 0 0 231.299 2.481 50 0 BEAARN c1cnc(CCc2nc(C3CCCC3)no2)cn1 ZINC000020867495 183479493 /nfs/dbraw/zinc/47/94/93/183479493.db2.gz SLPILEMXEMGHOE-UHFFFAOYSA-N 0 0 244.298 2.302 50 0 BEAARN CC(C)(C)OC(=O)COc1cccc(C=O)c1 ZINC000010158002 166641255 /nfs/dbraw/zinc/64/12/55/166641255.db2.gz IOHGZBLANANFDS-UHFFFAOYSA-N 0 0 236.267 2.220 50 0 BEAARN CC(C)(C)OC(=O)N1CCCCC12COC2 ZINC000095630821 166646679 /nfs/dbraw/zinc/64/66/79/166646679.db2.gz DCVLKDKWPCOLMA-UHFFFAOYSA-N 0 0 227.304 2.176 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H](O)C2)C1 ZINC000238790029 166655030 /nfs/dbraw/zinc/65/50/30/166655030.db2.gz MUMPVHCQFGQIKY-GWCFXTLKSA-N 0 0 241.331 2.158 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)CC[C@@H]2C1 ZINC000059979629 166657792 /nfs/dbraw/zinc/65/77/92/166657792.db2.gz KEEXIHAGXWAFOF-ZJUUUORDSA-N 0 0 239.315 2.223 50 0 BEAARN CC(C)(C)OC(=O)NC1CCSCC1 ZINC000039093999 166660055 /nfs/dbraw/zinc/66/00/55/166660055.db2.gz IRZQBMIZGJSXFN-UHFFFAOYSA-N 0 0 217.334 2.407 50 0 BEAARN CC(C)(C)OC(=O)NC1(CO)CCCCC1 ZINC000001436232 166659339 /nfs/dbraw/zinc/65/93/39/166659339.db2.gz GVQRDYUYIXDJSG-UHFFFAOYSA-N 0 0 229.320 2.206 50 0 BEAARN CCC[C@H]1C=CCN1C(=O)Nc1cnn(C)c1C ZINC000299774395 169523673 /nfs/dbraw/zinc/52/36/73/169523673.db2.gz GWPAWZAPKPXPGG-NSHDSACASA-N 0 0 248.330 2.301 50 0 BEAARN CCC[C@H](O)c1nc2ccccc2n1C ZINC000020897545 169521379 /nfs/dbraw/zinc/52/13/79/169521379.db2.gz LVPMAHNONVBCSE-NSHDSACASA-N 0 0 204.273 2.407 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCCCC1=O ZINC000001442796 166665417 /nfs/dbraw/zinc/66/54/17/166665417.db2.gz GHIGUHHFUUAJJN-MRVPVSSYSA-N 0 0 213.277 2.023 50 0 BEAARN CCC[C@H]1OC(=O)C(C)(C)C(=O)[C@@H]1CC ZINC000002475793 169540263 /nfs/dbraw/zinc/54/02/63/169540263.db2.gz BSGWAKRNHQWCMF-RKDXNWHRSA-N 0 0 212.289 2.333 50 0 BEAARN CCCc1c(C(=O)N(C)C)cnn1C(C)(C)C ZINC000035960287 169560814 /nfs/dbraw/zinc/56/08/14/169560814.db2.gz KZQJFRWHUHOGJJ-UHFFFAOYSA-N 0 0 237.347 2.292 50 0 BEAARN CCCc1cc(=O)[nH]c(NCc2ccccc2)n1 ZINC000000138482 169562420 /nfs/dbraw/zinc/56/24/20/169562420.db2.gz ZELYVFPYCWIMCR-UHFFFAOYSA-N 0 0 243.310 2.335 50 0 BEAARN CCCc1nnc2sc(-c3ccncc3)nn12 ZINC000006746396 169599986 /nfs/dbraw/zinc/59/99/86/169599986.db2.gz XXCPRIDDHHCPKD-UHFFFAOYSA-N 0 0 245.311 2.200 50 0 BEAARN O=Cc1ccc(OC(=O)c2ccco2)cc1 ZINC000000040517 383819679 /nfs/dbraw/zinc/81/96/79/383819679.db2.gz ALUHEYPQVPMFBV-UHFFFAOYSA-N 0 0 216.192 2.311 50 0 BEAARN CCc1ccc(NC(=S)NN(C)C)cc1 ZINC000000098317 383828051 /nfs/dbraw/zinc/82/80/51/383828051.db2.gz ZAGFJQLGUFZIHD-UHFFFAOYSA-N 0 0 223.345 2.012 50 0 BEAARN O=C1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000000096893 383826258 /nfs/dbraw/zinc/82/62/58/383826258.db2.gz WITXFYCLPDFRNM-UHFFFAOYSA-N 0 0 237.258 2.483 50 0 in-vitro BEAARN O=C1Nc2ccccc2C12SCCS2 ZINC000000161323 383836829 /nfs/dbraw/zinc/83/68/29/383836829.db2.gz QAYGJICGCHGPFV-UHFFFAOYSA-N 0 0 223.322 2.272 50 0 BEAARN CSC1=NCCN1CC(=O)c1ccc(C)cc1 ZINC000000167185 383838205 /nfs/dbraw/zinc/83/82/05/383838205.db2.gz PMZIXWWHXUCKID-UHFFFAOYSA-N 0 0 248.351 2.212 50 0 BEAARN O=Cc1c(-c2ccccc2)nc2n1CCS2 ZINC000000165333 383839331 /nfs/dbraw/zinc/83/93/31/383839331.db2.gz XOGXXJXDZCAAPL-UHFFFAOYSA-N 0 0 230.292 2.468 50 0 BEAARN COc1ncc(Cl)c(C(OC)OC)c1OC ZINC000066054413 383844538 /nfs/dbraw/zinc/84/45/38/383844538.db2.gz FQQJYWSZCTUPIF-UHFFFAOYSA-N 0 0 247.678 2.044 50 0 BEAARN Fc1cc2n[nH]cc2cc1Br ZINC000066054631 383845335 /nfs/dbraw/zinc/84/53/35/383845335.db2.gz ZNNFNEIFQIAWNY-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN c1ccc2c(c1)[nH]c1c2CCc2nonc2-1 ZINC000000236402 383846078 /nfs/dbraw/zinc/84/60/78/383846078.db2.gz CEKVZGMPIHSBOK-UHFFFAOYSA-N 0 0 211.224 2.317 50 0 BEAARN COc1c(C)cc(Br)cc1N ZINC000066140713 383847173 /nfs/dbraw/zinc/84/71/73/383847173.db2.gz CLNADMDVPWJECR-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN Cn1ncc(Cl)c(Oc2ccccc2)c1=O ZINC000000245866 383848034 /nfs/dbraw/zinc/84/80/34/383848034.db2.gz XHFYCSAGJALDAZ-UHFFFAOYSA-N 0 0 236.658 2.226 50 0 BEAARN C[C@@H]1SC2(NC1=O)C1CC3CC(C1)CC2C3 ZINC000000244174 383848128 /nfs/dbraw/zinc/84/81/28/383848128.db2.gz GJBVZWMAFHSDEV-UJPKHONOSA-N 0 0 237.368 2.390 50 0 BEAARN COC(=O)c1cc(-c2ccccc2C)[nH]n1 ZINC000035323160 383851184 /nfs/dbraw/zinc/85/11/84/383851184.db2.gz DHOPUVISAVYJOJ-UHFFFAOYSA-N 0 0 216.240 2.172 50 0 BEAARN CCC[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000000288084 383851270 /nfs/dbraw/zinc/85/12/70/383851270.db2.gz JZRHVCORTRGUJJ-JTQLQIEISA-N 0 0 227.329 2.154 50 0 BEAARN COC(=O)c1ccccc1NC(=O)C(C)C ZINC000000351269 383855484 /nfs/dbraw/zinc/85/54/84/383855484.db2.gz ZRMIWTLFLJOOPM-UHFFFAOYSA-N 0 0 221.256 2.068 50 0 biogenic BEAARN O=C([C@@H]1CC1(F)F)N1Cc2ccccc2C1 ZINC000294735153 383858598 /nfs/dbraw/zinc/85/85/98/383858598.db2.gz WBQXVRWPZLGMHZ-JTQLQIEISA-N 0 0 223.222 2.184 50 0 BEAARN Cc1ccnc(NC(=O)c2cccc(F)c2)n1 ZINC000000363383 383859230 /nfs/dbraw/zinc/85/92/30/383859230.db2.gz HAPVVBHWVVVTMQ-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN COc1ccc(OC)c(NC(=O)C2CCC2)c1 ZINC000000363635 383860250 /nfs/dbraw/zinc/86/02/50/383860250.db2.gz RJOFFLXFRCDEGY-UHFFFAOYSA-N 0 0 235.283 2.442 50 0 BEAARN COC(=O)/C=C/C(=O)Nc1ccc(C(C)C)cc1 ZINC000000386826 383862006 /nfs/dbraw/zinc/86/20/06/383862006.db2.gz INKWZCNDICOZDM-CMDGGOBGSA-N 0 0 247.294 2.478 50 0 BEAARN O=S(=O)(Cc1ccccn1)c1ccccc1 ZINC000000397498 383863895 /nfs/dbraw/zinc/86/38/95/383863895.db2.gz PPFKQEVWJGRSJC-UHFFFAOYSA-N 0 0 233.292 2.056 50 0 BEAARN COC(=O)c1ccc2ccccc2c1O ZINC000000402129 383864356 /nfs/dbraw/zinc/86/43/56/383864356.db2.gz HMIBDRSTVGFJPB-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN O=C1c2ccccc2S(=O)(=O)c2ccccc21 ZINC000000400596 383864412 /nfs/dbraw/zinc/86/44/12/383864412.db2.gz DRIRMYPZOAOUPR-UHFFFAOYSA-N 0 0 244.271 2.064 50 0 BEAARN Cc1n[nH]cc1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000087782138 383865418 /nfs/dbraw/zinc/86/54/18/383865418.db2.gz PXLOMUMDRSEITK-ZYHUDNBSSA-N 0 0 233.315 2.123 50 0 BEAARN Cc1cc(C(=O)Nc2cc(C)ccc2O)no1 ZINC000000426267 383865585 /nfs/dbraw/zinc/86/55/85/383865585.db2.gz CEZGLYBPGLESRA-UHFFFAOYSA-N 0 0 232.239 2.249 50 0 BEAARN COc1cc(Br)ccc1N ZINC000000406213 383866303 /nfs/dbraw/zinc/86/63/03/383866303.db2.gz WRFYIYOXJWKONR-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN COC(=O)c1ccc(-c2ccccc2N)o1 ZINC000000409423 383866705 /nfs/dbraw/zinc/86/67/05/383866705.db2.gz VFWZTMZWNJSVMH-UHFFFAOYSA-N 0 0 217.224 2.315 50 0 BEAARN CCc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000000465512 383867936 /nfs/dbraw/zinc/86/79/36/383867936.db2.gz PZLNMDCNYFXAGK-UHFFFAOYSA-N 0 0 233.311 2.250 50 0 BEAARN CCC[C@H](C)C(=O)Nc1nnc(C)s1 ZINC000000456596 383868758 /nfs/dbraw/zinc/86/87/58/383868758.db2.gz HJJDYRVXXRPPRD-LURJTMIESA-N 0 0 213.306 2.221 50 0 BEAARN CC(=O)c1sc2nc(C(F)(F)F)nn2c1C ZINC000000124289 383829743 /nfs/dbraw/zinc/82/97/43/383829743.db2.gz LOHFXMQRKWSWBN-UHFFFAOYSA-N 0 0 249.217 2.321 50 0 BEAARN Cc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000000141210 383832919 /nfs/dbraw/zinc/83/29/19/383832919.db2.gz GWLIMEJWPDPIEC-UHFFFAOYSA-N 0 0 202.213 2.114 50 0 BEAARN COC(=O)c1cc2ccncc2nc1Cl ZINC000067172062 383912396 /nfs/dbraw/zinc/91/23/96/383912396.db2.gz FPHFESONIRHOJV-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN Nn1nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001704522 383924836 /nfs/dbraw/zinc/92/48/36/383924836.db2.gz UKKDZCUPSSYZKY-UHFFFAOYSA-N 0 0 236.278 2.326 50 0 BEAARN O=C1Nc2cc(Cl)cc(Cl)c2C1=O ZINC000001698777 383925601 /nfs/dbraw/zinc/92/56/01/383925601.db2.gz CGCVHJCZBIYRQC-UHFFFAOYSA-N 0 0 216.023 2.128 50 0 in-vivo BEAARN Cc1ccc(S(=O)(=O)N2CCCC2)c(C)c1 ZINC000001058238 383888108 /nfs/dbraw/zinc/88/81/08/383888108.db2.gz DZPYGNAWGZNNAM-UHFFFAOYSA-N 0 0 239.340 2.088 50 0 BEAARN O=Cc1ccc(Br)cc1F ZINC000001081226 383888292 /nfs/dbraw/zinc/88/82/92/383888292.db2.gz UPCARQPLANFGQJ-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 in-vitro BEAARN O=Cc1cccn1Cc1cnc(Cl)s1 ZINC000001394846 383897110 /nfs/dbraw/zinc/89/71/10/383897110.db2.gz CIKCEQSMBBBVAQ-UHFFFAOYSA-N 0 0 226.688 2.459 50 0 BEAARN Cc1noc(C)c1COc1nc(C(C)C)no1 ZINC000071886134 383897201 /nfs/dbraw/zinc/89/72/01/383897201.db2.gz BDFUSUYTDRIVAQ-UHFFFAOYSA-N 0 0 237.259 2.377 50 0 BEAARN COC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000001401899 383897419 /nfs/dbraw/zinc/89/74/19/383897419.db2.gz DXIMZWAUSHENSG-SNVBAGLBSA-N 0 0 239.658 2.006 50 0 BEAARN C[C@@H](NC(N)=O)c1ccc(Br)cc1 ZINC000001431603 383898852 /nfs/dbraw/zinc/89/88/52/383898852.db2.gz KLTATGRFJLWOHB-ZCFIWIBFSA-N 0 0 243.104 2.178 50 0 BEAARN Cc1ccc(C(N)=S)c(Br)c1 ZINC000036533316 383904580 /nfs/dbraw/zinc/90/45/80/383904580.db2.gz WNQWLMFOTBKNTH-UHFFFAOYSA-N 0 0 230.130 2.392 50 0 BEAARN CCCCNC(=O)NCCc1ccccc1 ZINC000002582450 383978107 /nfs/dbraw/zinc/97/81/07/383978107.db2.gz CXZZAQYSBHZHTB-UHFFFAOYSA-N 0 0 220.316 2.328 50 0 BEAARN O=C(c1ccccn1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000089878936 384002110 /nfs/dbraw/zinc/00/21/10/384002110.db2.gz CUHFTDHMAGGXSP-AAEUAGOBSA-N 0 0 230.311 2.486 50 0 BEAARN Cc1nnc2n1N=C(c1cccs1)CS2 ZINC000000119129 383982800 /nfs/dbraw/zinc/98/28/00/383982800.db2.gz AKPXBAHBSSZFDU-UHFFFAOYSA-N 0 0 236.325 2.006 50 0 BEAARN COC[C@@H](C)NC(=O)/C(C)=C/c1ccccc1 ZINC000002729937 383983232 /nfs/dbraw/zinc/98/32/32/383983232.db2.gz DJFUCHYUZPDFFK-LMMOQWNQSA-N 0 0 233.311 2.241 50 0 BEAARN Cc1cnc(Cn2ncc(Cl)c2C)o1 ZINC000089702359 383986169 /nfs/dbraw/zinc/98/61/69/383986169.db2.gz SYDKJKNAQOOIEH-UHFFFAOYSA-N 0 0 211.652 2.190 50 0 BEAARN Cc1ccnc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000089701909 383988011 /nfs/dbraw/zinc/98/80/11/383988011.db2.gz ZOMOKNZEZLLUDF-QWRGUYRKSA-N 0 0 203.289 2.021 50 0 BEAARN C[C@H](NC(=O)N(C)C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000360234403 383991612 /nfs/dbraw/zinc/99/16/12/383991612.db2.gz MTEFKOZJSVLBNI-GBIKHYSHSA-N 0 0 248.326 2.211 50 0 BEAARN CCCCNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000002989871 383995392 /nfs/dbraw/zinc/99/53/92/383995392.db2.gz UIBLOJRBRMBLLL-UHFFFAOYSA-N 0 0 248.326 2.158 50 0 BEAARN O=C(c1cccnc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000089793926 383997557 /nfs/dbraw/zinc/99/75/57/383997557.db2.gz PEYXARVGHKTKPT-YPMHNXCESA-N 0 0 230.311 2.486 50 0 BEAARN Cc1ccc(OCCSC(N)=S)cc1 ZINC000002997577 383997677 /nfs/dbraw/zinc/99/76/77/383997677.db2.gz TUOICYKSWXAWKQ-UHFFFAOYSA-N 0 0 227.354 2.351 50 0 BEAARN COC(=O)c1cc(-n2cnc3ccccc32)c[nH]1 ZINC000067840117 383949406 /nfs/dbraw/zinc/94/94/06/383949406.db2.gz BVAGPUYLXHHXBC-UHFFFAOYSA-N 0 0 241.250 2.140 50 0 BEAARN CCN(CCOC(C)=O)c1ccccc1 ZINC000002166345 383953137 /nfs/dbraw/zinc/95/31/37/383953137.db2.gz GPCCXIVDZANEJZ-UHFFFAOYSA-N 0 0 207.273 2.076 50 0 BEAARN O=C1Nc2c(c(Cl)ccc2Cl)C1=O ZINC000002169010 383954560 /nfs/dbraw/zinc/95/45/60/383954560.db2.gz NUXYYWOWNFEMNH-UHFFFAOYSA-N 0 0 216.023 2.128 50 0 in-vivo BEAARN CC(C)CCOC(=O)[C@@H](O)c1ccccc1 ZINC000002164104 383954646 /nfs/dbraw/zinc/95/46/46/383954646.db2.gz KQQXUARABJGCMS-LBPRGKRZSA-N 0 0 222.284 2.309 50 0 BEAARN O=C(NCCCCCO)OCc1ccccc1 ZINC000002386960 383961395 /nfs/dbraw/zinc/96/13/95/383961395.db2.gz TYIYHFWLYLHCHY-UHFFFAOYSA-N 0 0 237.299 2.075 50 0 in-vitro BEAARN C[NH2+][C@@H]1c2c(ccc3ccccc32)OC[C@@H]1CO ZINC000002388213 383962224 /nfs/dbraw/zinc/96/22/24/383962224.db2.gz AXSNSIOPEKUXAM-NHYWBVRUSA-N 0 0 243.306 2.101 50 0 BEAARN CC(=O)Oc1cc2cc[nH]c2cc1OC(C)=O ZINC000002517174 383968439 /nfs/dbraw/zinc/96/84/39/383968439.db2.gz NTOLUQGMBCPVOZ-UHFFFAOYSA-N 0 0 233.223 2.019 50 0 BEAARN Cc1ccc(C)c(OCC2N=NC(=S)N2C)c1 ZINC000002522211 383968996 /nfs/dbraw/zinc/96/89/96/383968996.db2.gz UDTFVEHEDILPRA-UHFFFAOYSA-N 0 0 249.339 2.300 50 0 BEAARN O=Cc1ccccc1Oc1cnccn1 ZINC000002513073 383969750 /nfs/dbraw/zinc/96/97/50/383969750.db2.gz JEJIMCVKXOULMD-UHFFFAOYSA-N 0 0 200.197 2.081 50 0 BEAARN O=C1Nc2ccccc2/C1=C1\CCCCN1 ZINC000101139260 383972520 /nfs/dbraw/zinc/97/25/20/383972520.db2.gz LAQZBFNGNBSGED-QXMHVHEDSA-N 0 0 214.268 2.123 50 0 BEAARN Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000002558490 383973708 /nfs/dbraw/zinc/97/37/08/383973708.db2.gz JVFADEBFYSTPSE-UHFFFAOYSA-N 0 0 236.340 2.101 50 0 BEAARN Brc1ncc2ccccc2n1 ZINC000113270028 383974852 /nfs/dbraw/zinc/97/48/52/383974852.db2.gz ZHQSBSGAHYOIQE-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN COC(=O)c1ccc(O)c(C(C)(C)C)c1 ZINC000002566129 383975941 /nfs/dbraw/zinc/97/59/41/383975941.db2.gz RRGVVWMIXUBORH-UHFFFAOYSA-N 0 0 208.257 2.476 50 0 BEAARN c1cncc(CNc2ccc3c(c2)OCO3)c1 ZINC000003423947 384010106 /nfs/dbraw/zinc/01/01/06/384010106.db2.gz OMPJSXOWKKYUGP-UHFFFAOYSA-N 0 0 228.251 2.422 50 0 BEAARN O=Cc1ncc(Cl)cc1Br ZINC000090411405 384048456 /nfs/dbraw/zinc/04/84/56/384048456.db2.gz RBYFIWMBYVWLOQ-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN CC(=O)c1oc2nc(C)cc(C)c2c1N ZINC000004245372 384050796 /nfs/dbraw/zinc/05/07/96/384050796.db2.gz UYZZNUIENVPVMZ-UHFFFAOYSA-N 0 0 204.229 2.229 50 0 BEAARN Cc1cc2c(c(C)c1)N(CC(C)C)C(=O)C2=O ZINC000011692647 384052101 /nfs/dbraw/zinc/05/21/01/384052101.db2.gz QKILZONPHQDMNA-UHFFFAOYSA-N 0 0 231.295 2.489 50 0 BEAARN C[C@]1(C(=O)Nc2ccc(Cl)cc2)CO1 ZINC000003913034 384033939 /nfs/dbraw/zinc/03/39/39/384033939.db2.gz OMCHEYSSFBCQBT-SNVBAGLBSA-N 0 0 211.648 2.067 50 0 BEAARN c1c(-c2ccc3c(c2)OCO3)nc2ncccn12 ZINC000004024783 384036039 /nfs/dbraw/zinc/03/60/39/384036039.db2.gz SQORVQUIBGFWCS-UHFFFAOYSA-N 0 0 239.234 2.125 50 0 BEAARN O=C(C1CC1)N1CC[C@@H](OCc2ccccc2)C1 ZINC000257184676 384056364 /nfs/dbraw/zinc/05/63/64/384056364.db2.gz VCWYBGCKWPSLSM-CQSZACIVSA-N 0 0 245.322 2.214 50 0 BEAARN Cc1csc(CC(=O)NCc2ccccc2)n1 ZINC000071900745 384059493 /nfs/dbraw/zinc/05/94/93/384059493.db2.gz HPEZLUBDSGQHHA-UHFFFAOYSA-N 0 0 246.335 2.310 50 0 BEAARN O=CC(=O)c1cccc(C(F)(F)F)c1 ZINC000005240933 384108238 /nfs/dbraw/zinc/10/82/38/384108238.db2.gz KSLRFRNLMJHNLZ-UHFFFAOYSA-N 0 0 202.131 2.087 50 0 BEAARN C[C@@H](N)c1nc(-c2ccccc2Cl)no1 ZINC000004992779 384093810 /nfs/dbraw/zinc/09/38/10/384093810.db2.gz BAYFUBWFNPSVMU-ZCFIWIBFSA-N 0 0 223.663 2.410 50 0 BEAARN Cc1cnc(N)nc1NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000091621295 384135787 /nfs/dbraw/zinc/13/57/87/384135787.db2.gz YBMKWTWEXOAQSR-GRYCIOLGSA-N 0 0 244.342 2.381 50 0 BEAARN CSCc1ncnn1Cc1ccc(F)cc1 ZINC000091304703 384119033 /nfs/dbraw/zinc/11/90/33/384119033.db2.gz SHGHIILLPGXNEF-UHFFFAOYSA-N 0 0 237.303 2.329 50 0 BEAARN CC(C)NC(=O)N(Cc1ccccn1)C(C)C ZINC000071902356 384137422 /nfs/dbraw/zinc/13/74/22/384137422.db2.gz RAMKDXFQXDHBSH-UHFFFAOYSA-N 0 0 235.331 2.410 50 0 BEAARN FC(F)Oc1ncccc1Br ZINC000091365425 384123136 /nfs/dbraw/zinc/12/31/36/384123136.db2.gz NBQNVZVXSBNLGN-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN CSC(=O)c1cccc2nnsc21 ZINC000005734520 384126660 /nfs/dbraw/zinc/12/66/60/384126660.db2.gz UELITFHSCLAHKR-UHFFFAOYSA-N 0 0 210.283 2.195 50 0 in-vitro BEAARN CC(=O)c1cc2c(cc1NC(=O)C(C)C)OCO2 ZINC000000362352 384130784 /nfs/dbraw/zinc/13/07/84/384130784.db2.gz LVFGKYUIRQDPDO-UHFFFAOYSA-N 0 0 249.266 2.212 50 0 BEAARN S=c1nc2[nH]c3ccc(Cl)cc3c2n[nH]1 ZINC000006557487 384158366 /nfs/dbraw/zinc/15/83/66/384158366.db2.gz XHRDALPHMJKAFE-UHFFFAOYSA-N 0 0 236.687 2.448 50 0 BEAARN FC(F)(F)c1cc(Br)ncn1 ZINC000040448449 384154946 /nfs/dbraw/zinc/15/49/46/384154946.db2.gz AGUIEFSLABIYOT-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN O=Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000040451222 384155184 /nfs/dbraw/zinc/15/51/84/384155184.db2.gz XJIDIIQALIVUPK-UHFFFAOYSA-N 0 0 223.235 2.209 50 0 BEAARN CC(C)(C)OC(=O)c1cc(F)c(CO)c(F)c1 ZINC000091691518 384138893 /nfs/dbraw/zinc/13/88/93/384138893.db2.gz UQXHOULFCLJBCV-UHFFFAOYSA-N 0 0 244.237 2.412 50 0 BEAARN Clc1ncnc2sc3c(c21)CCOC3 ZINC000091692744 384139054 /nfs/dbraw/zinc/13/90/54/384139054.db2.gz HKZVSDJGXPNVPT-UHFFFAOYSA-N 0 0 226.688 2.417 50 0 BEAARN Nc1cc(N2CCOCC2)cc(C(F)(F)F)c1 ZINC000091695942 384141117 /nfs/dbraw/zinc/14/11/17/384141117.db2.gz IVQIGNIDIKGVHH-UHFFFAOYSA-N 0 0 246.232 2.124 50 0 BEAARN Cc1ccnc(NC(=O)c2ccccc2O)c1 ZINC000006659426 384160799 /nfs/dbraw/zinc/16/07/99/384160799.db2.gz YILQQSCRZNWNOT-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN O=Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000006677525 384161763 /nfs/dbraw/zinc/16/17/63/384161763.db2.gz RFEIFSQBYWKHQP-GFCCVEGCSA-N 0 0 206.241 2.057 50 0 BEAARN Cn1ncnc1Cc1cc(F)c(F)cc1Cl ZINC000092065115 384162510 /nfs/dbraw/zinc/16/25/10/384162510.db2.gz NBXOEKQHAWCKTF-UHFFFAOYSA-N 0 0 243.644 2.338 50 0 BEAARN CC(=O)Nc1ccc(OCc2ccno2)cc1 ZINC000006668157 384162716 /nfs/dbraw/zinc/16/27/16/384162716.db2.gz GSKRXQYCJUHISG-UHFFFAOYSA-N 0 0 232.239 2.212 50 0 BEAARN COCCn1c(C)cc2cc(N)ccc21 ZINC000006681932 384163516 /nfs/dbraw/zinc/16/35/16/384163516.db2.gz JRWGQKZCVBUDKZ-UHFFFAOYSA-N 0 0 204.273 2.178 50 0 BEAARN Cc1cc(C)c(C(=O)n2cccn2)c(C)c1 ZINC000006726715 384164268 /nfs/dbraw/zinc/16/42/68/384164268.db2.gz IYUHHZFRPJXBDD-UHFFFAOYSA-N 0 0 214.268 2.497 50 0 BEAARN Cc1ccc(S(=O)(=O)NCC(C)C)c(C)c1 ZINC000006725838 384164418 /nfs/dbraw/zinc/16/44/18/384164418.db2.gz IRTSLFMNWPSJQQ-UHFFFAOYSA-N 0 0 241.356 2.238 50 0 BEAARN C[C@H](NC(=O)Nc1nccs1)c1cccnc1 ZINC000042757366 384165099 /nfs/dbraw/zinc/16/50/99/384165099.db2.gz WQOOTGBQYOQVPB-QMMMGPOBSA-N 0 0 248.311 2.421 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2)on1 ZINC000006738073 384165676 /nfs/dbraw/zinc/16/56/76/384165676.db2.gz DOSQCCRQFRIHGZ-JTQLQIEISA-N 0 0 230.267 2.474 50 0 BEAARN Cc1noc(-c2cc3ccccc3oc2=O)n1 ZINC000006816734 384169717 /nfs/dbraw/zinc/16/97/17/384169717.db2.gz DUQDEHGDAGAGDK-UHFFFAOYSA-N 0 0 228.207 2.151 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(C)cc2)no1 ZINC000007670859 384184904 /nfs/dbraw/zinc/18/49/04/384184904.db2.gz GERSWJOEOVPPRC-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN O=C([O-])C[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000041260998 384185108 /nfs/dbraw/zinc/18/51/08/384185108.db2.gz WFHMTBADZMIELZ-CYBMUJFWSA-N 0 0 233.311 2.245 50 0 BEAARN O=C1CCNc2c(Br)cccc21 ZINC000071773563 384178137 /nfs/dbraw/zinc/17/81/37/384178137.db2.gz UHCQKTPURTYSFF-UHFFFAOYSA-N 0 0 226.073 2.447 50 0 BEAARN Cc1cc(C)c(C)c(OC[C@H]2CNC(=O)O2)c1 ZINC000071773772 384178514 /nfs/dbraw/zinc/17/85/14/384178514.db2.gz PYGVTWOWFALXCC-LLVKDONJSA-N 0 0 235.283 2.099 50 0 BEAARN CCCCN(C)S(=O)(=O)Nc1ccccc1 ZINC000071915086 384187850 /nfs/dbraw/zinc/18/78/50/384187850.db2.gz FYIHJTGFTLQYAL-UHFFFAOYSA-N 0 0 242.344 2.075 50 0 BEAARN CCc1oc(C(=O)Nc2cnccn2)cc1C ZINC000097380002 384191011 /nfs/dbraw/zinc/19/10/11/384191011.db2.gz DOFZQPNMDGXNOE-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CC(C)(NS(C)(=O)=O)c1cccc(Cl)c1 ZINC000041531926 384192819 /nfs/dbraw/zinc/19/28/19/384192819.db2.gz CROAFNPYJRJWQX-UHFFFAOYSA-N 0 0 247.747 2.124 50 0 BEAARN COC(=O)c1ccc(-c2ccc(CO)cn2)cc1 ZINC000072190665 384198589 /nfs/dbraw/zinc/19/85/89/384198589.db2.gz LDDGTWKKGGTSIS-UHFFFAOYSA-N 0 0 243.262 2.028 50 0 BEAARN CCCn1nc(C)cc1C(=O)C(F)(F)F ZINC000072209466 384200063 /nfs/dbraw/zinc/20/00/63/384200063.db2.gz URJUNGYAHYWLNR-UHFFFAOYSA-N 0 0 220.194 2.347 50 0 BEAARN CSc1cccc(F)c1C(=O)NC1CC1 ZINC000336532897 384231459 /nfs/dbraw/zinc/23/14/59/384231459.db2.gz CLYQAERSHYKAOK-UHFFFAOYSA-N 0 0 225.288 2.440 50 0 BEAARN CC[C@@H]1CN(Cc2ccno2)CCS1 ZINC000072862050 384235927 /nfs/dbraw/zinc/23/59/27/384235927.db2.gz RCUKMHFUOTYNNU-SNVBAGLBSA-N 0 0 212.318 2.002 50 0 BEAARN Cc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)o1 ZINC000119160551 384241190 /nfs/dbraw/zinc/24/11/90/384241190.db2.gz UNGUCYBEACYRKC-CABCVRRESA-N 0 0 243.306 2.336 50 0 BEAARN COC(=O)c1cc(OC)ccc1Cl ZINC000042684520 384237691 /nfs/dbraw/zinc/23/76/91/384237691.db2.gz OXUBUSSEVOLEPD-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN COC(=O)c1ccc(C(F)(F)F)cc1N ZINC000008699307 384208972 /nfs/dbraw/zinc/20/89/72/384208972.db2.gz DZICUHOFOOPVFM-UHFFFAOYSA-N 0 0 219.162 2.074 50 0 BEAARN O=Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000009256921 384240243 /nfs/dbraw/zinc/24/02/43/384240243.db2.gz XNNTWUIEFDDWBO-LBPRGKRZSA-N 0 0 206.241 2.057 50 0 BEAARN O=Cc1cccc(Br)c1F ZINC000008729790 384213136 /nfs/dbraw/zinc/21/31/36/384213136.db2.gz OUAZPCKRSSEQKB-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CCC[C@@H]1C(F)F ZINC000336603705 384220677 /nfs/dbraw/zinc/22/06/77/384220677.db2.gz LPEMFEZHQKWQQH-SECBINFHSA-N 0 0 228.242 2.193 50 0 BEAARN CC(C)(C)OC(=O)N1C(=O)[C@H]2CC=CC[C@H]21 ZINC000072481883 384224457 /nfs/dbraw/zinc/22/44/57/384224457.db2.gz KDTQUGWQGQHXQF-DTWKUNHWSA-N 0 0 223.272 2.099 50 0 BEAARN CNc1cc(C)nc(-c2csc(C)n2)n1 ZINC000000123729 384264655 /nfs/dbraw/zinc/26/46/55/384264655.db2.gz VVASNESUJSQEHQ-UHFFFAOYSA-N 0 0 220.301 2.259 50 0 BEAARN Cn1nccc1NC(=O)c1ccccc1Cl ZINC000000116704 384266877 /nfs/dbraw/zinc/26/68/77/384266877.db2.gz BIUIMKQSLGRUAK-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN Cc1nc(C)c(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000074031162 384270596 /nfs/dbraw/zinc/27/05/96/384270596.db2.gz OZLBVOGJMVJMBC-AOOOYVTPSA-N 0 0 234.299 2.019 50 0 BEAARN COC1CCN(c2cc(C(C)(C)C)ncn2)CC1 ZINC000408518458 384274891 /nfs/dbraw/zinc/27/48/91/384274891.db2.gz JDNIOVWVJPNSFH-UHFFFAOYSA-N 0 0 249.358 2.389 50 0 BEAARN O=Cc1cc2c(c(Br)c1)OCC2 ZINC000012336615 384309324 /nfs/dbraw/zinc/30/93/24/384309324.db2.gz HJMQBGKEMMQBSW-UHFFFAOYSA-N 0 0 227.057 2.197 50 0 BEAARN c1ccc2c(c1)[nH]c1c2CCC[C@H]1c1nn[nH]n1 ZINC000012360260 384312656 /nfs/dbraw/zinc/31/26/56/384312656.db2.gz YHYKGFZOFABBRE-SNVBAGLBSA-N 0 0 239.282 2.149 50 0 BEAARN O=Cc1ccccc1OC1CCOCC1 ZINC000012370458 384312820 /nfs/dbraw/zinc/31/28/20/384312820.db2.gz UCRWIPOHJNTVKS-UHFFFAOYSA-N 0 0 206.241 2.057 50 0 BEAARN O=C1O[C@H](c2ccc(O)cc2O)c2ccccc21 ZINC000044123220 384312827 /nfs/dbraw/zinc/31/28/27/384312827.db2.gz UEJPTQLUZIFBRU-ZDUSSCGKSA-N 0 0 242.230 2.358 50 0 BEAARN CCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000012359882 384314668 /nfs/dbraw/zinc/31/46/68/384314668.db2.gz SQETXAYIDTYNTR-SECBINFHSA-N 0 0 215.293 2.032 50 0 BEAARN O=C(N[C@@H]1CC12CC2)C1CCC(F)(F)CC1 ZINC000335511990 384297566 /nfs/dbraw/zinc/29/75/66/384297566.db2.gz FNGROTWAGGELOZ-SECBINFHSA-N 0 0 229.270 2.481 50 0 BEAARN CC(=O)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000095415825 384374952 /nfs/dbraw/zinc/37/49/52/384374952.db2.gz GVQOWGFOLGMCAD-UHFFFAOYSA-N 0 0 245.200 2.451 50 0 BEAARN Cc1cc(Br)cc(N)c1F ZINC000075843648 384342216 /nfs/dbraw/zinc/34/22/16/384342216.db2.gz IXPJTQZMPXWSSY-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cn1nc(C(F)(F)F)cc1Br ZINC000075842677 384342879 /nfs/dbraw/zinc/34/28/79/384342879.db2.gz HBGAUXPKRSEUFW-UHFFFAOYSA-N 0 0 228.999 2.201 50 0 BEAARN Cc1ccc(C(=O)NCCCn2ccnc2)s1 ZINC000013745255 384373708 /nfs/dbraw/zinc/37/37/08/384373708.db2.gz ZMMSSWBMCUIDFQ-UHFFFAOYSA-N 0 0 249.339 2.073 50 0 BEAARN C[C@@H]1Cn2c(nnc2-c2ccccc2O)S1 ZINC000013130007 384349175 /nfs/dbraw/zinc/34/91/75/384349175.db2.gz QHRRXITYEUNTHZ-SSDOTTSWSA-N 0 0 233.296 2.145 50 0 BEAARN Cc1ccc(CC[N@@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000237706882 384349519 /nfs/dbraw/zinc/34/95/19/384349519.db2.gz OAAFVKXJXBSWSJ-ZDUSSCGKSA-N 0 0 233.311 2.087 50 0 BEAARN COC(=O)c1ccc2nc(C)ccc2c1 ZINC000013223676 384354043 /nfs/dbraw/zinc/35/40/43/384354043.db2.gz KGSIXOOGGCSYTB-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN CCCCNC(=O)c1c(C)onc1CC ZINC000013330675 384354814 /nfs/dbraw/zinc/35/48/14/384354814.db2.gz DGPVUDDYEIFVFA-UHFFFAOYSA-N 0 0 210.277 2.075 50 0 BEAARN Nc1n[nH]c(S[C@@H]2CCc3ccccc3C2)n1 ZINC000097103004 384356015 /nfs/dbraw/zinc/35/60/15/384356015.db2.gz JNNHVGTYZVMHDT-SNVBAGLBSA-N 0 0 246.339 2.037 50 0 BEAARN COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000013327626 384356743 /nfs/dbraw/zinc/35/67/43/384356743.db2.gz XAMFAFZUMWPGLC-WCBMZHEXSA-N 0 0 233.267 2.068 50 0 BEAARN CSCCC(=O)NCCc1cccc(F)c1 ZINC000061241950 384363283 /nfs/dbraw/zinc/36/32/83/384363283.db2.gz QCAPMLBTCXVHIN-UHFFFAOYSA-N 0 0 241.331 2.238 50 0 BEAARN Clc1nc(N2CCOCC2)nc2ccccc12 ZINC000095215242 384365096 /nfs/dbraw/zinc/36/50/96/384365096.db2.gz UWAUCVLFWGAOGM-UHFFFAOYSA-N 0 0 249.701 2.120 50 0 BEAARN Cc1ccc([C@H]2Cc3oncc3C(=O)C2)o1 ZINC000095117757 384367166 /nfs/dbraw/zinc/36/71/66/384367166.db2.gz ROHBEFQPMZDQFM-MRVPVSSYSA-N 0 0 217.224 2.489 50 0 BEAARN CCOCCNc1ncnc2nc(C)cc(C)c21 ZINC000095358913 384372095 /nfs/dbraw/zinc/37/20/95/384372095.db2.gz GMSGIMPGEJFKKD-UHFFFAOYSA-N 0 0 246.314 2.090 50 0 BEAARN CC(C)CCNC(=S)NCc1ccco1 ZINC000013821218 384372484 /nfs/dbraw/zinc/37/24/84/384372484.db2.gz AGCSYXCUAAYZBG-UHFFFAOYSA-N 0 0 226.345 2.290 50 0 BEAARN Cc1ccnc(NCc2snnc2C(C)C)n1 ZINC000095366260 384372674 /nfs/dbraw/zinc/37/26/74/384372674.db2.gz QNMHBXOWXFIOIV-UHFFFAOYSA-N 0 0 249.343 2.372 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)N1CCCC1 ZINC000000512649 384323240 /nfs/dbraw/zinc/32/32/40/384323240.db2.gz BSJLTPGVNAZMET-VMPITWQZSA-N 0 0 219.259 2.461 50 0 BEAARN COC(=O)c1ccc(F)c(Cn2ccc(C)n2)c1 ZINC000097080278 384323919 /nfs/dbraw/zinc/32/39/19/384323919.db2.gz LPLZUYDSRCCCIN-UHFFFAOYSA-N 0 0 248.257 2.166 50 0 BEAARN COC[C@@H](C)OC(=O)c1ccc(C(C)=O)cc1 ZINC000097084227 384324273 /nfs/dbraw/zinc/32/42/73/384324273.db2.gz GXQNAOPEQZTAKW-SECBINFHSA-N 0 0 236.267 2.081 50 0 BEAARN O=S(=O)(Cc1cccnc1)c1ccccc1 ZINC000012545492 384326038 /nfs/dbraw/zinc/32/60/38/384326038.db2.gz NYANCYPJKOOJRB-UHFFFAOYSA-N 0 0 233.292 2.056 50 0 BEAARN Cc1nc(SCCC2OCCO2)oc1C ZINC000097094752 384332984 /nfs/dbraw/zinc/33/29/84/384332984.db2.gz SKHPZFSDQYNMBV-UHFFFAOYSA-N 0 0 229.301 2.147 50 0 BEAARN FC(F)(F)Cn1cnc(Br)c1 ZINC000095883358 384405239 /nfs/dbraw/zinc/40/52/39/384405239.db2.gz ZEEYBMNZHKAPQW-UHFFFAOYSA-N 0 0 228.999 2.208 50 0 BEAARN O=C(Nc1cccs1)NC1(CCO)CCC1 ZINC000072312966 384411035 /nfs/dbraw/zinc/41/10/35/384411035.db2.gz WZDBQYMBISVAFT-UHFFFAOYSA-N 0 0 240.328 2.175 50 0 BEAARN Nc1cc(Cl)c(Br)cc1N ZINC000095935545 384415175 /nfs/dbraw/zinc/41/51/75/384415175.db2.gz VBJCMWQIEHOUAT-UHFFFAOYSA-N 0 0 221.485 2.267 50 0 BEAARN CCCC(=O)Nc1ccc([C@H](C)O)cc1 ZINC000035646253 384417885 /nfs/dbraw/zinc/41/78/85/384417885.db2.gz MYHSACZLXUFKMK-VIFPVBQESA-N 0 0 207.273 2.479 50 0 BEAARN Cc1nnc2sc(-c3ccsc3)nn12 ZINC000015109558 384420893 /nfs/dbraw/zinc/42/08/93/384420893.db2.gz ZOWXEHDOTMPNMO-UHFFFAOYSA-N 0 0 222.298 2.223 50 0 BEAARN CCN(C)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000071867841 384421174 /nfs/dbraw/zinc/42/11/74/384421174.db2.gz RNUXKECFNNGNLQ-UHFFFAOYSA-N 0 0 244.294 2.362 50 0 BEAARN CON(C)C(=O)[C@@H]1CC=C(Br)CC1 ZINC000095495535 384377119 /nfs/dbraw/zinc/37/71/19/384377119.db2.gz PZVHPLJXKLNFPI-SSDOTTSWSA-N 0 0 248.120 2.085 50 0 BEAARN C[C@@H](C(=O)Nc1cnccn1)c1ccccc1F ZINC000097146423 384381789 /nfs/dbraw/zinc/38/17/89/384381789.db2.gz OSZNASUREKGHCM-SECBINFHSA-N 0 0 245.257 2.358 50 0 BEAARN CC(=O)c1nnn(Cc2ccc(Cl)cc2)c1C ZINC000014007653 384381978 /nfs/dbraw/zinc/38/19/78/384381978.db2.gz XNYJLMRHAZZUQC-UHFFFAOYSA-N 0 0 249.701 2.491 50 0 BEAARN Cc1nnc(NC(=O)CC2CCCC2)s1 ZINC000014019890 384382340 /nfs/dbraw/zinc/38/23/40/384382340.db2.gz ZSPRMLROBZGJHQ-UHFFFAOYSA-N 0 0 225.317 2.365 50 0 BEAARN Cc1nc(Br)cnc1Cl ZINC000095616331 384382373 /nfs/dbraw/zinc/38/23/73/384382373.db2.gz RWDYAMJQLRNUCM-UHFFFAOYSA-N 0 0 207.458 2.201 50 0 BEAARN Clc1cc2n[nH]c(Br)c2cn1 ZINC000095628711 384382688 /nfs/dbraw/zinc/38/26/88/384382688.db2.gz ZBIZWQVFHBHLKC-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN c1cn(-c2ccnc(Cc3ccccc3)n2)cn1 ZINC000165127838 384383352 /nfs/dbraw/zinc/38/33/52/384383352.db2.gz OHTMNAKJXBKFKL-UHFFFAOYSA-N 0 0 236.278 2.253 50 0 BEAARN Fc1ccc([C@H]2NCCn3cccc32)cc1F ZINC000095618452 384383454 /nfs/dbraw/zinc/38/34/54/384383454.db2.gz MFICLFNZXYXVGW-CYBMUJFWSA-N 0 0 234.249 2.459 50 0 BEAARN CC(C)(C)OC(=O)NCc1cc(Cl)ncn1 ZINC000095630141 384385675 /nfs/dbraw/zinc/38/56/75/384385675.db2.gz SLVHELJLPHOMLT-UHFFFAOYSA-N 0 0 243.694 2.155 50 0 BEAARN COC(=O)c1cnc(Cl)c2ccn(C)c21 ZINC000095707505 384390278 /nfs/dbraw/zinc/39/02/78/384390278.db2.gz UJJCPVCXNVAOAY-UHFFFAOYSA-N 0 0 224.647 2.013 50 0 BEAARN COC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000044199629 384450264 /nfs/dbraw/zinc/45/02/64/384450264.db2.gz KAEPSCXMKSXLKM-UHFFFAOYSA-N 0 0 230.267 2.276 50 0 BEAARN CN(C)c1nc(/C=C/c2ccccc2)nn1C ZINC000096137988 384437900 /nfs/dbraw/zinc/43/79/00/384437900.db2.gz ZJICGPNUJHPGLL-MDZDMXLPSA-N 0 0 228.299 2.052 50 0 BEAARN COC(=O)c1cc2cccc(O)c2cc1O ZINC000027527033 384471468 /nfs/dbraw/zinc/47/14/68/384471468.db2.gz ARAZFUMSUAUJRS-UHFFFAOYSA-N 0 0 218.208 2.038 50 0 BEAARN CCCn1nccc1NCC1=CCCOC1 ZINC000124686097 384474487 /nfs/dbraw/zinc/47/44/87/384474487.db2.gz IJPBGTUSLPEFDD-UHFFFAOYSA-N 0 0 221.304 2.052 50 0 BEAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1ccccc1 ZINC000017975708 384495429 /nfs/dbraw/zinc/49/54/29/384495429.db2.gz KQVNCFJZEZPYOS-CHWSQXEVSA-N 0 0 241.290 2.138 50 0 BEAARN CCC1(CC)NC(=S)N(CCC(C)C)N1 ZINC000018275978 384504154 /nfs/dbraw/zinc/50/41/54/384504154.db2.gz FXSJMOZHAYNDSS-UHFFFAOYSA-N 0 0 229.393 2.244 50 0 BEAARN CC(C)(C)C(=O)CNC(=O)/C=C/c1ccco1 ZINC000097022550 384509614 /nfs/dbraw/zinc/50/96/14/384509614.db2.gz NSHQKZGDIYQAAU-VOTSOKGWSA-N 0 0 235.283 2.024 50 0 BEAARN CC[C@H](NC(=O)/C=C/c1cnccn1)C(C)C ZINC000096999305 384488412 /nfs/dbraw/zinc/48/84/12/384488412.db2.gz MASNNQNAYXUYOP-FYJFLYSWSA-N 0 0 233.315 2.041 50 0 BEAARN COCCNC(=O)N1CC[C@@H](C)c2ccccc21 ZINC000096998313 384488935 /nfs/dbraw/zinc/48/89/35/384488935.db2.gz OUWPEUKGJLIYCM-LLVKDONJSA-N 0 0 248.326 2.356 50 0 BEAARN c1nc(CN2CCO[C@@H]3CCCC[C@H]32)cs1 ZINC000247944973 384534342 /nfs/dbraw/zinc/53/43/42/384534342.db2.gz HTWUORNOPDEYPO-VXGBXAGGSA-N 0 0 238.356 2.287 50 0 BEAARN CC(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000095416058 384534511 /nfs/dbraw/zinc/53/45/11/384534511.db2.gz OOENPBPHGIVIFH-UHFFFAOYSA-N 0 0 237.209 2.313 50 0 BEAARN O=Cc1ccc(OCc2ccncc2)cc1 ZINC000019439010 384522598 /nfs/dbraw/zinc/52/25/98/384522598.db2.gz NJWQYDUYMAMRAT-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN Cc1ccnc(NC(=O)c2ccc(F)cc2)n1 ZINC000019881323 384547683 /nfs/dbraw/zinc/54/76/83/384547683.db2.gz AIFJONHDTVQZQU-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN CC(C)(O)c1cccnc1Br ZINC000097758929 384553872 /nfs/dbraw/zinc/55/38/72/384553872.db2.gz CXLQQPDHVZWLHV-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 BEAARN Nc1nc2cccc(C(F)(F)F)c2o1 ZINC000097757409 384555114 /nfs/dbraw/zinc/55/51/14/384555114.db2.gz ASOBLLZBIULETD-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN C[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000020074909 384571023 /nfs/dbraw/zinc/57/10/23/384571023.db2.gz IEHVEXJDCHERQV-NSHDSACASA-N 0 0 215.300 2.271 50 0 BEAARN COC(=O)c1cccc2c1O[C@@H](C)[C@H]2C ZINC000073193849 384586514 /nfs/dbraw/zinc/58/65/14/384586514.db2.gz JSLIOTYZZRXGLQ-SFYZADRCSA-N 0 0 206.241 2.358 50 0 BEAARN Cc1noc(-c2nc(-c3ccsc3)no2)n1 ZINC000098212328 384603477 /nfs/dbraw/zinc/60/34/77/384603477.db2.gz PFXOWJFNJAFWPX-UHFFFAOYSA-N 0 0 234.240 2.157 50 0 BEAARN O=C1CCC[C@@H]2c3cc(F)ccc3N[C@@H]12 ZINC000100021633 384608667 /nfs/dbraw/zinc/60/86/67/384608667.db2.gz IHIIJLANCVFABM-PRHODGIISA-N 0 0 205.232 2.456 50 0 BEAARN CC(=O)c1c(N(C)C)ccnc1C(F)(F)F ZINC000020494181 384620005 /nfs/dbraw/zinc/62/00/05/384620005.db2.gz HCLMZPRIPCJADZ-UHFFFAOYSA-N 0 0 232.205 2.369 50 0 BEAARN CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)SC)C1(C)C ZINC000073269027 384623989 /nfs/dbraw/zinc/62/39/89/384623989.db2.gz SCJMDUOOKIPMPJ-YGOYTEALSA-N 0 0 245.388 2.058 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000100231052 384625999 /nfs/dbraw/zinc/62/59/99/384625999.db2.gz SGNKPJPMWHKOJO-MGCOHNPYSA-N 0 0 229.320 2.062 50 0 BEAARN COC(=O)c1cc2cccc(OC)c2o1 ZINC000020759778 384631047 /nfs/dbraw/zinc/63/10/47/384631047.db2.gz RRRJHZIXAVRXTJ-UHFFFAOYSA-N 0 0 206.197 2.228 50 0 BEAARN O=C1NCCN1c1ccccc1C(F)(F)F ZINC000098096572 384593461 /nfs/dbraw/zinc/59/34/61/384593461.db2.gz GVCXLZWVBPMXJN-UHFFFAOYSA-N 0 0 230.189 2.235 50 0 BEAARN Cc1ccc(C(=O)Nc2ccc(O)cc2)cn1 ZINC000020211324 384599303 /nfs/dbraw/zinc/59/93/03/384599303.db2.gz WZOOCRVBCPMPFD-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)CO1 ZINC000083965788 384663632 /nfs/dbraw/zinc/66/36/32/384663632.db2.gz WONDZQDQIYMEDF-MRVPVSSYSA-N 0 0 231.173 2.486 50 0 BEAARN Cc1cc(CCc2cccc(F)c2)nc(N)n1 ZINC000082120533 384646505 /nfs/dbraw/zinc/64/65/05/384646505.db2.gz IQSONVGERJMSMK-UHFFFAOYSA-N 0 0 231.274 2.292 50 0 BEAARN Cc1noc2ncc(Br)cc12 ZINC000082372152 384651359 /nfs/dbraw/zinc/65/13/59/384651359.db2.gz UOMBCEWCJFUYER-UHFFFAOYSA-N 0 0 213.034 2.294 50 0 BEAARN CC(=O)c1nnn(-c2cccc(C)c2)c1C ZINC000011888167 384677850 /nfs/dbraw/zinc/67/78/50/384677850.db2.gz QZSBLTPNFOCBRS-UHFFFAOYSA-N 0 0 215.256 2.087 50 0 BEAARN COC(CNc1cccc(Cl)c1)OC ZINC000082534366 384690567 /nfs/dbraw/zinc/69/05/67/384690567.db2.gz NEWOFKMBVRJISN-UHFFFAOYSA-N 0 0 215.680 2.371 50 0 BEAARN CN(C)c1nccc(N(C)Cc2ccccc2)n1 ZINC000077210266 384703523 /nfs/dbraw/zinc/70/35/23/384703523.db2.gz CXKIKFXNJBHJMT-UHFFFAOYSA-N 0 0 242.326 2.179 50 0 BEAARN CC(C)(C)CCS(=O)(=O)NCC1CCC1 ZINC000078696633 384709743 /nfs/dbraw/zinc/70/97/43/384709743.db2.gz ORYZKBCMMUJAEV-UHFFFAOYSA-N 0 0 233.377 2.142 50 0 BEAARN Cn1ncc2cc(Br)ccc21 ZINC000021982165 384712498 /nfs/dbraw/zinc/71/24/98/384712498.db2.gz RMCHMXPTUMFFBZ-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Cc1nc(CN(C)CCC(C)(C)O)cs1 ZINC000086234188 384773184 /nfs/dbraw/zinc/77/31/84/384773184.db2.gz QSBICLWFPXQCDW-UHFFFAOYSA-N 0 0 228.361 2.044 50 0 BEAARN C[C@@H](C(=O)[O-])[C@H](C)[NH2+]Cc1ccccc1F ZINC000086297935 384773250 /nfs/dbraw/zinc/77/32/50/384773250.db2.gz ONLCLSFGQPCXLO-BDAKNGLRSA-N 0 0 225.263 2.025 50 0 BEAARN C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790236 384777024 /nfs/dbraw/zinc/77/70/24/384777024.db2.gz HYJIIKMUEZCEON-ONGXEEELSA-N 0 0 237.274 2.293 50 0 BEAARN Nc1n[nH]c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000052508087 384735882 /nfs/dbraw/zinc/73/58/82/384735882.db2.gz SLKOLWASIPNGDL-UHFFFAOYSA-N 0 0 242.204 2.436 50 0 BEAARN COC(=O)c1ccc(CNc2ccon2)cc1 ZINC000083358506 384752092 /nfs/dbraw/zinc/75/20/92/384752092.db2.gz SBVHDQHZMVWXQH-UHFFFAOYSA-N 0 0 232.239 2.073 50 0 BEAARN CCc1ccc(C(=O)O[C@@H](C)Cn2cccn2)o1 ZINC000083796744 384754743 /nfs/dbraw/zinc/75/47/43/384754743.db2.gz ADGPKMLBPIKPIM-JTQLQIEISA-N 0 0 248.282 2.284 50 0 BEAARN Cc1nc(CNc2ccc(C)c(F)c2)no1 ZINC000084501440 384758756 /nfs/dbraw/zinc/75/87/56/384758756.db2.gz QVOOGFRRMZTEKL-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN C[C@@H](CNc1ccccn1)CC1(C)OCCO1 ZINC000084637157 384764024 /nfs/dbraw/zinc/76/40/24/384764024.db2.gz PVLKLSQOSBMMBF-LLVKDONJSA-N 0 0 236.315 2.283 50 0 BEAARN Cc1nc(C(=O)NC2CCCCC2)co1 ZINC000022606273 384765632 /nfs/dbraw/zinc/76/56/32/384765632.db2.gz BPLAXRRTYBJQLP-UHFFFAOYSA-N 0 0 208.261 2.046 50 0 BEAARN CSCCn1nccc1-c1cccnc1 ZINC000185788937 384769944 /nfs/dbraw/zinc/76/99/44/384769944.db2.gz DFMKQRGIUIZDOT-UHFFFAOYSA-N 0 0 219.313 2.308 50 0 BEAARN COc1cc(N)ccc1Oc1cccnc1 ZINC000145309643 384772380 /nfs/dbraw/zinc/77/23/80/384772380.db2.gz MZTQCADQWXWFJI-UHFFFAOYSA-N 0 0 216.240 2.465 50 0 BEAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccco1 ZINC000030267182 384816051 /nfs/dbraw/zinc/81/60/51/384816051.db2.gz BJKBMNFRGFKSDB-SNVBAGLBSA-N 0 0 230.267 2.298 50 0 BEAARN CCc1nn(C)c(CC)c1CNc1ccon1 ZINC000167812041 384820309 /nfs/dbraw/zinc/82/03/09/384820309.db2.gz QPAUJDOMEFPALE-UHFFFAOYSA-N 0 0 234.303 2.145 50 0 BEAARN O=C([O-])[C@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000083988119 384826579 /nfs/dbraw/zinc/82/65/79/384826579.db2.gz DCLIKAUTNCNGEL-QWRGUYRKSA-N 0 0 211.305 2.162 50 0 BEAARN O=C(c1ccc(-c2cn[nH]c2)o1)N1CCCCC1 ZINC000426489592 384835339 /nfs/dbraw/zinc/83/53/39/384835339.db2.gz HQYBNTUGULNEJQ-UHFFFAOYSA-N 0 0 245.282 2.296 50 0 BEAARN Cc1ccc(C(=O)Nc2cccc(C)n2)cn1 ZINC000023441060 384797676 /nfs/dbraw/zinc/79/76/76/384797676.db2.gz JUGJLRCJYYZQCJ-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN Cc1nnc(COc2ccc3c(c2)CCC3=O)o1 ZINC000188033501 384801219 /nfs/dbraw/zinc/80/12/19/384801219.db2.gz GMSVDWVQDYONST-UHFFFAOYSA-N 0 0 244.250 2.086 50 0 BEAARN C[C@H](Nc1ccccc1)C(=O)N1CCCCC1 ZINC000055420903 384883450 /nfs/dbraw/zinc/88/34/50/384883450.db2.gz RHOCBAMVOIYEOD-LBPRGKRZSA-N 0 0 232.327 2.500 50 0 BEAARN CC(C)c1ccc(NC(=O)NC[C@H](C)O)cc1 ZINC000186516833 384846568 /nfs/dbraw/zinc/84/65/68/384846568.db2.gz IAXNRHAYBXLRBZ-JTQLQIEISA-N 0 0 236.315 2.312 50 0 BEAARN Cc1nsc(C=O)c1Br ZINC000084239164 384851634 /nfs/dbraw/zinc/85/16/34/384851634.db2.gz SOUZBJCWGFFUEI-UHFFFAOYSA-N 0 0 206.064 2.027 50 0 BEAARN CO[C@@]1(C)C[C@H](NC(=O)c2cccnc2)C1(C)C ZINC000084668205 384888779 /nfs/dbraw/zinc/88/87/79/384888779.db2.gz QSQZVXJSUUJAJQ-FZMZJTMJSA-N 0 0 248.326 2.015 50 0 BEAARN Cc1cnc(C(=O)N2CCC[C@H]3CCC[C@H]32)cn1 ZINC000084258217 384854566 /nfs/dbraw/zinc/85/45/66/384854566.db2.gz SMUXLIXJKADXCD-DGCLKSJQSA-N 0 0 245.326 2.190 50 0 BEAARN Cc1nscc1C(=O)Nc1ccc(C)cn1 ZINC000072243092 384854752 /nfs/dbraw/zinc/85/47/52/384854752.db2.gz SFJFIFXDGDPDSZ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)C1CC1 ZINC000025593040 384856038 /nfs/dbraw/zinc/85/60/38/384856038.db2.gz BZEWEFKNPLIEEP-MRVPVSSYSA-N 0 0 229.283 2.091 50 0 BEAARN CCOC(=O)c1ccc(/C=C\c2ccncn2)o1 ZINC000255574767 384857618 /nfs/dbraw/zinc/85/76/18/384857618.db2.gz VTXLFRAZMRGEDI-ARJAWSKDSA-N 0 0 244.250 2.417 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000025713183 384857988 /nfs/dbraw/zinc/85/79/88/384857988.db2.gz YSCCLECAUBVEPF-UWVGGRQHSA-N 0 0 248.326 2.335 50 0 BEAARN C[C@@H](COC(F)(F)F)NC(=O)OC(C)(C)C ZINC000096308352 384858098 /nfs/dbraw/zinc/85/80/98/384858098.db2.gz DEPPUDRHUVAZQW-LURJTMIESA-N 0 0 243.225 2.436 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000025713173 384858199 /nfs/dbraw/zinc/85/81/99/384858199.db2.gz YSCCLECAUBVEPF-AOOOYVTPSA-N 0 0 248.326 2.335 50 0 BEAARN CCCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O ZINC000026957055 384889066 /nfs/dbraw/zinc/88/90/66/384889066.db2.gz SHHQWCFPXBMQNF-NXEZZACHSA-N 0 0 241.718 2.304 50 0 BEAARN CC(C)c1cc(C(=O)N(C)[C@H](C)C2CC2)[nH]n1 ZINC000071947716 384862606 /nfs/dbraw/zinc/86/26/06/384862606.db2.gz BWRGKZRKQTWGEW-SECBINFHSA-N 0 0 235.331 2.404 50 0 BEAARN COC(=O)c1ccc(C(=O)NCC2CCC2)cc1 ZINC000026136679 384864137 /nfs/dbraw/zinc/86/41/37/384864137.db2.gz QIDVKAGVNAWRBE-UHFFFAOYSA-N 0 0 247.294 2.003 50 0 BEAARN O=C1CC[C@H](c2ccccc2Cl)CN1 ZINC000057496055 384950675 /nfs/dbraw/zinc/95/06/75/384950675.db2.gz JZHHTIOJCNRSRI-QMMMGPOBSA-N 0 0 209.676 2.334 50 0 BEAARN CC(C)CCNc1cc(Cl)nc(N)n1 ZINC000057530756 384953605 /nfs/dbraw/zinc/95/36/05/384953605.db2.gz FIMJEDPJWFALRK-UHFFFAOYSA-N 0 0 214.700 2.170 50 0 BEAARN O=C1NCC[C@H]1c1cccc(Br)c1 ZINC000057533295 384954125 /nfs/dbraw/zinc/95/41/25/384954125.db2.gz CLYILMPDEBXAEY-VIFPVBQESA-N 0 0 240.100 2.053 50 0 BEAARN CC(C)(C)OC(=O)NCC1(CO)CCCC1 ZINC000118825625 384906134 /nfs/dbraw/zinc/90/61/34/384906134.db2.gz SDHBGLHPHXJZBY-UHFFFAOYSA-N 0 0 229.320 2.064 50 0 BEAARN COC(=O)c1cc(C(C)C)c(O)cc1O ZINC000096029099 384922635 /nfs/dbraw/zinc/92/26/35/384922635.db2.gz NAOCXJWZGXUTCQ-UHFFFAOYSA-N 0 0 210.229 2.008 50 0 BEAARN CC(=O)c1c(N)cccc1Br ZINC000085217583 384929132 /nfs/dbraw/zinc/92/91/32/384929132.db2.gz QZKHKNFJKGIVJB-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN FC(F)(F)[C@H]1CCCN(c2cnccn2)C1 ZINC000192905429 384931595 /nfs/dbraw/zinc/93/15/95/384931595.db2.gz SROCEZMXEHHWEJ-QMMMGPOBSA-N 0 0 231.221 2.255 50 0 BEAARN CCCCNC(=O)c1cc(F)ccc1F ZINC000028210734 384937086 /nfs/dbraw/zinc/93/70/86/384937086.db2.gz ZJSFQQYNFGQSRX-UHFFFAOYSA-N 0 0 213.227 2.495 50 0 BEAARN C[C@H](CCc1ccco1)NC(=O)N1CCCC1 ZINC000058692805 385021615 /nfs/dbraw/zinc/02/16/15/385021615.db2.gz VDOAMEUGEABSSQ-LLVKDONJSA-N 0 0 236.315 2.406 50 0 BEAARN Cc1noc([C@@H](C)NC(=O)c2ccc(C)cc2)n1 ZINC000058246163 384992978 /nfs/dbraw/zinc/99/29/78/384992978.db2.gz AHGMVIQBAQGAOM-SECBINFHSA-N 0 0 245.282 2.177 50 0 BEAARN CCc1ccccc1NC(=O)N[C@H](C)COC ZINC000058282907 384993681 /nfs/dbraw/zinc/99/36/81/384993681.db2.gz PQRVENRIFPBSBO-SNVBAGLBSA-N 0 0 236.315 2.405 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccncc1 ZINC000058295945 384995712 /nfs/dbraw/zinc/99/57/12/384995712.db2.gz CCYBLTGLMXHHCY-WMZJFQQLSA-N 0 0 204.273 2.054 50 0 BEAARN COC[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2 ZINC000058316188 384996917 /nfs/dbraw/zinc/99/69/17/384996917.db2.gz BWXWKPUOCPJFPR-LLVKDONJSA-N 0 0 247.338 2.330 50 0 BEAARN CC(=O)N[C@H](COCC(C)C)c1ccco1 ZINC000058354785 384999031 /nfs/dbraw/zinc/99/90/31/384999031.db2.gz ZXRUKUWQKKPQBU-LLVKDONJSA-N 0 0 225.288 2.129 50 0 BEAARN CC/C=C(/C)C(=O)Nc1cnn(CC)c1 ZINC000058394014 385002917 /nfs/dbraw/zinc/00/29/17/385002917.db2.gz AYSOSXGESHIFAX-TWGQIWQCSA-N 0 0 207.277 2.198 50 0 BEAARN c1n[nH]cc1Nc1cnc2ccccc2n1 ZINC000058406831 385004715 /nfs/dbraw/zinc/00/47/15/385004715.db2.gz DTFDMPGGFGZAHC-UHFFFAOYSA-N 0 0 211.228 2.097 50 0 BEAARN CCN(CCO)C(=O)Nc1c[nH]c2ccccc12 ZINC000005299779 385014355 /nfs/dbraw/zinc/01/43/55/385014355.db2.gz RKOYYKJRYNGFEO-UHFFFAOYSA-N 0 0 247.298 2.014 50 0 BEAARN CCN(CC)S(=O)(=O)c1cccc(Cl)c1 ZINC000057707874 384962561 /nfs/dbraw/zinc/96/25/61/384962561.db2.gz VYJSTFSBUJVKFF-UHFFFAOYSA-N 0 0 247.747 2.371 50 0 BEAARN CC(=O)N1CCCCC[C@@H]1c1nc(C2CC2)no1 ZINC000257175107 385054200 /nfs/dbraw/zinc/05/42/00/385054200.db2.gz ADMMHUMGPZUVOY-LLVKDONJSA-N 0 0 249.314 2.411 50 0 BEAARN COc1ncccc1NC(=O)NCCC(C)C ZINC000048285902 385109511 /nfs/dbraw/zinc/10/95/11/385109511.db2.gz LTNUCINIOCLOPW-UHFFFAOYSA-N 0 0 237.303 2.258 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCO1 ZINC000005467015 385117515 /nfs/dbraw/zinc/11/75/15/385117515.db2.gz BALJFIJZWAYPQU-NEPJUHHUSA-N 0 0 227.348 2.498 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)c2ccncc2)C1(C)C ZINC000096414161 385125826 /nfs/dbraw/zinc/12/58/26/385125826.db2.gz UKWSCCYCUSBBMX-NWDGAFQWSA-N 0 0 248.326 2.015 50 0 BEAARN CC(C)(C)[NH2+]Cc1ccccc1OCC(=O)[O-] ZINC000062716817 385184281 /nfs/dbraw/zinc/18/42/81/385184281.db2.gz TXJQBOUIZGUBQJ-UHFFFAOYSA-N 0 0 237.299 2.038 50 0 BEAARN COC(=O)c1ccc2cnc(Cl)nc2c1 ZINC000032915194 385190980 /nfs/dbraw/zinc/19/09/80/385190980.db2.gz MNAOYMVGZLGOLA-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN CCc1cc2cc(OC)ccc2[nH]c1=O ZINC000061997522 385147693 /nfs/dbraw/zinc/14/76/93/385147693.db2.gz JPTIBWIBYJNORI-UHFFFAOYSA-N 0 0 203.241 2.099 50 0 BEAARN O=C1O[C@@H](Nc2ccncc2)c2ccccc21 ZINC000019862403 385151892 /nfs/dbraw/zinc/15/18/92/385151892.db2.gz CPXMAXYXGJYMJZ-GFCCVEGCSA-N 0 0 226.235 2.363 50 0 BEAARN Nc1cccc(-c2nnc(C(F)(F)F)o2)c1 ZINC000062152455 385162569 /nfs/dbraw/zinc/16/25/69/385162569.db2.gz UPLZFZHUNUYGBX-UHFFFAOYSA-N 0 0 229.161 2.338 50 0 BEAARN CN(CC[C@@H]1CCCCO1)C(=O)c1cccnc1 ZINC000062193147 385165115 /nfs/dbraw/zinc/16/51/15/385165115.db2.gz HSGKHARKIUERQI-ZDUSSCGKSA-N 0 0 248.326 2.113 50 0 BEAARN Cc1cnn(CCOc2cccc(F)c2)c1 ZINC000096428973 385165564 /nfs/dbraw/zinc/16/55/64/385165564.db2.gz CADSIDFJORQWPP-UHFFFAOYSA-N 0 0 220.247 2.410 50 0 BEAARN COC(=O)c1ccc(OCC(F)F)cc1OC ZINC000188541031 385166217 /nfs/dbraw/zinc/16/62/17/385166217.db2.gz SXXHWAVKZBMBCB-UHFFFAOYSA-N 0 0 246.209 2.126 50 0 BEAARN c1ccc2c(c1)CN=C2N1CCCCC1 ZINC000004843829 385168602 /nfs/dbraw/zinc/16/86/02/385168602.db2.gz KXPWAFJOKWNKSF-UHFFFAOYSA-N 0 0 200.285 2.433 50 0 BEAARN CO[C@H](C)CCOC(=O)c1ccc(Cl)cn1 ZINC000096442874 385171244 /nfs/dbraw/zinc/17/12/44/385171244.db2.gz ZQJNYPUOAHHGLV-MRVPVSSYSA-N 0 0 243.690 2.317 50 0 BEAARN CC(=O)NCCCSc1ccccc1O ZINC000096447722 385172511 /nfs/dbraw/zinc/17/25/11/385172511.db2.gz RPJKFJSQMPEGKB-UHFFFAOYSA-N 0 0 225.313 2.011 50 0 BEAARN COCc1ccc(SCC(=O)N(C)C)cc1 ZINC000096447845 385173084 /nfs/dbraw/zinc/17/30/84/385173084.db2.gz NRPXHCKCZJQVBN-UHFFFAOYSA-N 0 0 239.340 2.013 50 0 BEAARN Cc1noc(C)c1N(C)C(=O)Nc1cccnc1 ZINC000096454126 385175293 /nfs/dbraw/zinc/17/52/93/385175293.db2.gz NBAZSEUZWRCUOW-UHFFFAOYSA-N 0 0 246.270 2.355 50 0 BEAARN C[C@H]1c2ccccc2CC[N@H+]1CCC(=O)[O-] ZINC000089941516 385211968 /nfs/dbraw/zinc/21/19/68/385211968.db2.gz MYLNJKDJGSTGEQ-JTQLQIEISA-N 0 0 219.284 2.080 50 0 BEAARN C[C@@H](Cc1ccc(O)cc1)N(C)c1ncccn1 ZINC000096485316 385220401 /nfs/dbraw/zinc/22/04/01/385220401.db2.gz XVBGMPRBASDJSC-NSHDSACASA-N 0 0 243.310 2.250 50 0 BEAARN Cc1ocnc1CNC(=O)CC1=CCCCC1 ZINC000096487334 385224162 /nfs/dbraw/zinc/22/41/62/385224162.db2.gz NKPOUOPNFVXUSJ-UHFFFAOYSA-N 0 0 234.299 2.490 50 0 BEAARN C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)C(N)=O ZINC000096492352 385231937 /nfs/dbraw/zinc/23/19/37/385231937.db2.gz FJKYFTDBGHQDKQ-NKWVEPMBSA-N 0 0 244.697 2.004 50 0 BEAARN COC(=O)c1ccc(F)c(Cn2cc(C)cn2)c1 ZINC000096500486 385238822 /nfs/dbraw/zinc/23/88/22/385238822.db2.gz QCZJLCQDJJVXFF-UHFFFAOYSA-N 0 0 248.257 2.166 50 0 BEAARN COC(=O)COC(=O)c1ccc(C(C)C)s1 ZINC000096503011 385240450 /nfs/dbraw/zinc/24/04/50/385240450.db2.gz DBEDFBFDWWVRLA-UHFFFAOYSA-N 0 0 242.296 2.201 50 0 BEAARN Cc1ccc([C@H](C)NCc2noc(C)n2)o1 ZINC000096502746 385240715 /nfs/dbraw/zinc/24/07/15/385240715.db2.gz MAEQBWCOANFHJX-QMMMGPOBSA-N 0 0 221.260 2.130 50 0 BEAARN COC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000064032651 385243676 /nfs/dbraw/zinc/24/36/76/385243676.db2.gz HUSNZWYHFRIZPG-PSASIEDQSA-N 0 0 205.257 2.147 50 0 BEAARN Cc1cc(=O)c2cccc(-n3ccnc3)c2[nH]1 ZINC000065380861 385303146 /nfs/dbraw/zinc/30/31/46/385303146.db2.gz GAXIISHYVWUMOV-UHFFFAOYSA-N 0 0 225.251 2.022 50 0 BEAARN CCCCCn1c(=O)[nH]nc1-c1ccco1 ZINC000065407266 385306189 /nfs/dbraw/zinc/30/61/89/385306189.db2.gz OMTUFURTMYYMFZ-UHFFFAOYSA-N 0 0 221.260 2.022 50 0 BEAARN CC1(C)C[C@H]1c1n[nH]c(=O)n1C1CCCC1 ZINC000065397811 385306455 /nfs/dbraw/zinc/30/64/55/385306455.db2.gz OFOCHUNYLMYIHP-VIFPVBQESA-N 0 0 221.304 2.200 50 0 BEAARN CCCc1nc(C)cc(N(C)Cc2ncc[nH]2)n1 ZINC000065421628 385309822 /nfs/dbraw/zinc/30/98/22/385309822.db2.gz GIDFEQCECGJJOT-UHFFFAOYSA-N 0 0 245.330 2.097 50 0 BEAARN Cc1n[nH]c(=O)n1[C@@H](C)C1CCCCC1 ZINC000065454678 385311866 /nfs/dbraw/zinc/31/18/66/385311866.db2.gz VKFOBBBUNRTAGJ-QMMMGPOBSA-N 0 0 209.293 2.021 50 0 BEAARN COc1cc(-c2ccccc2Cl)nc(N)n1 ZINC000065460618 385313688 /nfs/dbraw/zinc/31/36/88/385313688.db2.gz KQDAFGKHDRTBAD-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN CO[C@@H](C)c1cccc(-c2cc(N)ncn2)c1 ZINC000065469883 385315243 /nfs/dbraw/zinc/31/52/43/385315243.db2.gz HIHKHWCFVPIULL-VIFPVBQESA-N 0 0 229.283 2.433 50 0 BEAARN COC(=O)c1ccc(Cl)c(N)c1Cl ZINC000034238466 385275532 /nfs/dbraw/zinc/27/55/32/385275532.db2.gz YPEMWWHAEVJGIS-UHFFFAOYSA-N 0 0 220.055 2.362 50 0 BEAARN Cc1nnc(SCC(=O)Nc2ccccc2)o1 ZINC000000463522 385278274 /nfs/dbraw/zinc/27/82/74/385278274.db2.gz JMWNOAYAKYZALX-UHFFFAOYSA-N 0 0 249.295 2.109 50 0 BEAARN CC[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000095162538 385343917 /nfs/dbraw/zinc/34/39/17/385343917.db2.gz SLWHXRPOKPFBSN-QMMMGPOBSA-N 0 0 218.260 2.044 50 0 BEAARN Cc1noc(Cl)c1CC(=O)N1CCCCC1 ZINC000098009343 385348651 /nfs/dbraw/zinc/34/86/51/385348651.db2.gz MWDVDTWKTMHODY-UHFFFAOYSA-N 0 0 242.706 2.191 50 0 BEAARN CC(=O)NC1(c2nccs2)CCCC1 ZINC000098010246 385357316 /nfs/dbraw/zinc/35/73/16/385357316.db2.gz CEGFXNDKAOGNBY-UHFFFAOYSA-N 0 0 210.302 2.049 50 0 BEAARN O=Cc1ccc(N2CCC(F)(F)C2)c(F)c1 ZINC000169725241 385419036 /nfs/dbraw/zinc/41/90/36/385419036.db2.gz SMQAWFNSUAXSFE-UHFFFAOYSA-N 0 0 229.201 2.484 50 0 BEAARN FC1(F)CN(c2cncc(Br)c2)C1 ZINC000169725533 385419226 /nfs/dbraw/zinc/41/92/26/385419226.db2.gz IURXSXGYCFLBKU-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN CNc1ncnc2c3cc(OC)ccc3[nH]c21 ZINC000000538795 385477803 /nfs/dbraw/zinc/47/78/03/385477803.db2.gz DOGKSWXTGDKGET-UHFFFAOYSA-N 0 0 228.255 2.161 50 0 BEAARN C[C@@H](NC(=O)C1CC1)c1nc2ccccc2[nH]1 ZINC000000552017 385499856 /nfs/dbraw/zinc/49/98/56/385499856.db2.gz BNYUDMQYRNZQDS-MRVPVSSYSA-N 0 0 229.283 2.150 50 0 BEAARN COC(=O)c1cc2ccc(F)cc2nc1C ZINC000012915337 385500587 /nfs/dbraw/zinc/50/05/87/385500587.db2.gz LPVAHEDEMDYHQC-UHFFFAOYSA-N 0 0 219.215 2.469 50 0 BEAARN Cn1c2ccccc2nc1CN1CCSCC1 ZINC000171627369 385502327 /nfs/dbraw/zinc/50/23/27/385502327.db2.gz UWVHQBATWRSHIU-UHFFFAOYSA-N 0 0 247.367 2.122 50 0 BEAARN CC(C)(C)CCC(=O)NCCCc1ncc[nH]1 ZINC000302352694 385607185 /nfs/dbraw/zinc/60/71/85/385607185.db2.gz WSUAXDKKBRMGCK-UHFFFAOYSA-N 0 0 237.347 2.285 50 0 BEAARN Cc1ccn2cc(C(=O)NC3CCCC3)nc2c1 ZINC000000928611 385636111 /nfs/dbraw/zinc/63/61/11/385636111.db2.gz RKEDOTYEGHXNPW-UHFFFAOYSA-N 0 0 243.310 2.315 50 0 BEAARN O=C(OCC(F)(F)F)c1ccc(Cl)cn1 ZINC000252510410 385651729 /nfs/dbraw/zinc/65/17/29/385651729.db2.gz ZJMXSQNHLODRSG-UHFFFAOYSA-N 0 0 239.580 2.454 50 0 BEAARN COC(=O)c1oc(C[N@H+](C)CC2CC2)cc1C ZINC000052128367 385699629 /nfs/dbraw/zinc/69/96/29/385699629.db2.gz HLDYVTHGLZGQGK-UHFFFAOYSA-N 0 0 237.299 2.216 50 0 BEAARN C[C@@H](NCC(N)=O)c1ccc(Cl)cc1Cl ZINC000015447484 385731704 /nfs/dbraw/zinc/73/17/04/385731704.db2.gz ISHPXUDOHITYNA-ZCFIWIBFSA-N 0 0 247.125 2.129 50 0 BEAARN C[C@]1(NC(=O)[C@H]2CC2(F)F)CC=CCC1 ZINC000334774054 385827483 /nfs/dbraw/zinc/82/74/83/385827483.db2.gz KHHOWVUWJWDENE-SCZZXKLOSA-N 0 0 215.243 2.257 50 0 BEAARN CN(Cc1cccnc1Cl)C[C@@H]1CCCO1 ZINC000052709433 385830921 /nfs/dbraw/zinc/83/09/21/385830921.db2.gz QQDDZNARCAPBIG-NSHDSACASA-N 0 0 240.734 2.346 50 0 BEAARN C/C=C/[C@@H]1OC(=O)C(C)(C)C(=O)C1(C)C ZINC000012341715 385900803 /nfs/dbraw/zinc/90/08/03/385900803.db2.gz GXSBHXOJAAYYKJ-CZEYKFRCSA-N 0 0 210.273 2.109 50 0 biogenic BEAARN CC(C)C[NH+](CCCC(=O)[O-])CC(C)C ZINC000011864748 385912239 /nfs/dbraw/zinc/91/22/39/385912239.db2.gz RQVGQNMRDVDDOU-UHFFFAOYSA-N 0 0 215.337 2.465 50 0 BEAARN Nc1cccc(Br)c1-c1cn[nH]c1 ZINC000217046391 385876216 /nfs/dbraw/zinc/87/62/16/385876216.db2.gz XCXOKYBNKKZPOF-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN CO[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000034726697 385876390 /nfs/dbraw/zinc/87/63/90/385876390.db2.gz SIUNLOZEQSBXJC-LBPRGKRZSA-N 0 0 235.283 2.044 50 0 BEAARN Cn1cc(OC[C@H]2CCCC2(F)F)cn1 ZINC000334569212 386016347 /nfs/dbraw/zinc/01/63/47/386016347.db2.gz GCJOFLKEUFCQSX-MRVPVSSYSA-N 0 0 216.231 2.234 50 0 BEAARN O=C(C1=CCC1)N1CCCC[C@H]1C(F)F ZINC000334422220 386028921 /nfs/dbraw/zinc/02/89/21/386028921.db2.gz BUKIASDBXPCALG-VIFPVBQESA-N 0 0 215.243 2.353 50 0 BEAARN COC(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000048008085 386116461 /nfs/dbraw/zinc/11/64/61/386116461.db2.gz VKMJQTQNQRRMGV-UHFFFAOYSA-N 0 0 248.282 2.101 50 0 BEAARN C[C@@]1(c2ccccc2)CCNC(=O)CC1 ZINC000225391942 386190331 /nfs/dbraw/zinc/19/03/31/386190331.db2.gz BNJMNDMSROAXRX-ZDUSSCGKSA-N 0 0 203.285 2.244 50 0 BEAARN Fc1ccc(CNCc2noc(C3CC3)n2)cc1 ZINC000225511614 386201121 /nfs/dbraw/zinc/20/11/21/386201121.db2.gz HSWUCNYCOPWDOO-UHFFFAOYSA-N 0 0 247.273 2.376 50 0 BEAARN c1ncc(-c2noc(C3CCOCC3)n2)s1 ZINC000225553760 386202134 /nfs/dbraw/zinc/20/21/34/386202134.db2.gz CFPIBBKDSBEASC-UHFFFAOYSA-N 0 0 237.284 2.087 50 0 BEAARN Nc1nnc(S[C@H]2CCCCCC2=O)s1 ZINC000029302969 386205297 /nfs/dbraw/zinc/20/52/97/386205297.db2.gz XAAFDSKUDMQYEU-ZETCQYMHSA-N 0 0 243.357 2.114 50 0 BEAARN c1ccc2[nH]c(N3CCSCC3)nc2c1 ZINC000040175466 386227171 /nfs/dbraw/zinc/22/71/71/386227171.db2.gz WGBZUSKORRLYGL-UHFFFAOYSA-N 0 0 219.313 2.116 50 0 BEAARN CC[C@@H](NC(=O)COC)c1ccc(C)cc1 ZINC000044867148 386228080 /nfs/dbraw/zinc/22/80/80/386228080.db2.gz GOQOOOLHLYKMGW-GFCCVEGCSA-N 0 0 221.300 2.209 50 0 BEAARN CC(C)(C)C(=O)N1CC(CC(F)F)C1 ZINC000335385219 386235893 /nfs/dbraw/zinc/23/58/93/386235893.db2.gz TVFMLYSHOBDMLM-UHFFFAOYSA-N 0 0 205.248 2.146 50 0 BEAARN CC(C)C1(CNc2ncnc3oncc32)CC1 ZINC000225504593 386197408 /nfs/dbraw/zinc/19/74/08/386197408.db2.gz LYFNDFZCFWEHSE-UHFFFAOYSA-N 0 0 232.287 2.466 50 0 BEAARN Cc1n[nH]cc1CNc1ncnc2ccsc21 ZINC000038012002 386301719 /nfs/dbraw/zinc/30/17/19/386301719.db2.gz HWZZUVNYPNAANB-UHFFFAOYSA-N 0 0 245.311 2.335 50 0 BEAARN COC(=O)c1c2c(C)noc2nc(C)c1Cl ZINC000012397221 386406626 /nfs/dbraw/zinc/40/66/26/386406626.db2.gz QLDJJMDUWIDIMN-UHFFFAOYSA-N 0 0 240.646 2.280 50 0 BEAARN Cc1ccc(C)c(CSCC(N)=O)c1 ZINC000058692455 386467477 /nfs/dbraw/zinc/46/74/77/386467477.db2.gz YYUZFOISDMDFKS-UHFFFAOYSA-N 0 0 209.314 2.022 50 0 BEAARN O=Cc1c[nH]c2nc(Cl)nc(Cl)c12 ZINC000238562672 386506666 /nfs/dbraw/zinc/50/66/66/386506666.db2.gz PEXLLWSAFWLAEU-UHFFFAOYSA-N 0 0 216.027 2.077 50 0 BEAARN C(=C/c1ccccc1)\COn1cccn1 ZINC000328593732 386520110 /nfs/dbraw/zinc/52/01/10/386520110.db2.gz BXXOZNXXUTXZRN-XBXARRHUSA-N 0 0 200.241 2.025 50 0 BEAARN Cc1ccnc(N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000095403292 386520312 /nfs/dbraw/zinc/52/03/12/386520312.db2.gz LUDGTJPRFHDHSF-VXGBXAGGSA-N 0 0 215.300 2.187 50 0 BEAARN C[C@@H](CS[C@H]1CCNC1=O)c1ccccc1 ZINC000183330509 386594954 /nfs/dbraw/zinc/59/49/54/386594954.db2.gz OGOVVNNJGDIFGG-JQWIXIFHSA-N 0 0 235.352 2.412 50 0 BEAARN Cc1cnc([C@@H](C)Nc2cc3n(n2)CCCC3)o1 ZINC000329008734 386597195 /nfs/dbraw/zinc/59/71/95/386597195.db2.gz NVFOFRDFXBCJGM-SNVBAGLBSA-N 0 0 246.314 2.111 50 0 BEAARN Cc1ccoc1C(=O)N1CC(CC(F)F)C1 ZINC000335488663 386604585 /nfs/dbraw/zinc/60/45/85/386604585.db2.gz KFRKSGXIOOEZOV-UHFFFAOYSA-N 0 0 229.226 2.315 50 0 BEAARN O=C([C@@H]1CC=CCC1)N1CC(CC(F)F)C1 ZINC000335490618 386607444 /nfs/dbraw/zinc/60/74/44/386607444.db2.gz XJOOBWUNMFQRFV-SNVBAGLBSA-N 0 0 229.270 2.456 50 0 BEAARN CC(C)=C(C)CC(=O)NCc1cnn(C)c1C ZINC000585132564 386677970 /nfs/dbraw/zinc/67/79/70/386677970.db2.gz ZWOAPSMSADOLER-UHFFFAOYSA-N 0 0 235.331 2.091 50 0 BEAARN CCC1CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC000585129845 386685194 /nfs/dbraw/zinc/68/51/94/386685194.db2.gz YOYPGWSFNCQPEH-UHFFFAOYSA-N 0 0 236.315 2.174 50 0 BEAARN F[C@@H]1CCCN(c2ncc(Cl)cn2)C1 ZINC000334469468 386773618 /nfs/dbraw/zinc/77/36/18/386773618.db2.gz HHEHLOCWRUDEMJ-MRVPVSSYSA-N 0 0 215.659 2.068 50 0 BEAARN O=S(=O)(Cc1ccccc1)N1CCCCC1 ZINC000000030325 386782347 /nfs/dbraw/zinc/78/23/47/386782347.db2.gz TWUWEJUIZCFOJL-UHFFFAOYSA-N 0 0 239.340 2.002 50 0 BEAARN C[C@H]1c2cccn2CCN1C(=O)c1cccnc1 ZINC000029378863 386823409 /nfs/dbraw/zinc/82/34/09/386823409.db2.gz QSSJCDRAAUZVDD-NSHDSACASA-N 0 0 241.294 2.100 50 0 BEAARN CC(=O)c1ccc(-c2ccc(CO)cc2)nc1 ZINC000032534832 386941026 /nfs/dbraw/zinc/94/10/26/386941026.db2.gz ZQXJXOVWNKMLIC-UHFFFAOYSA-N 0 0 227.263 2.444 50 0 BEAARN COC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000049835355 386970030 /nfs/dbraw/zinc/97/00/30/386970030.db2.gz BWRNTNIKTOXPSG-UHFFFAOYSA-N 0 0 247.319 2.449 50 0 BEAARN C[C@@H](NC(=O)c1cnns1)c1ccccc1 ZINC000047409724 386972772 /nfs/dbraw/zinc/97/27/72/386972772.db2.gz RBZILIKTJFWPFE-MRVPVSSYSA-N 0 0 233.296 2.029 50 0 BEAARN CCCc1cc(C(=O)Nc2ccnc(C)c2)n[nH]1 ZINC000075137467 386979167 /nfs/dbraw/zinc/97/91/67/386979167.db2.gz KBPXOEBOUWPODN-UHFFFAOYSA-N 0 0 244.298 2.318 50 0 BEAARN Cn1cc(NCc2cc(F)c(O)c(F)c2)cn1 ZINC000094265768 387003350 /nfs/dbraw/zinc/00/33/50/387003350.db2.gz XFAKEZWOGLUIFC-UHFFFAOYSA-N 0 0 239.225 2.016 50 0 BEAARN CC(C)CCNC(=O)Cc1nc2ccccc2[nH]1 ZINC000006313600 387047598 /nfs/dbraw/zinc/04/75/98/387047598.db2.gz PCFGUCVVMKNSFS-UHFFFAOYSA-N 0 0 245.326 2.268 50 0 BEAARN C[C@]1(F)CCCN(Cc2cscn2)C1 ZINC000296057655 387049596 /nfs/dbraw/zinc/04/95/96/387049596.db2.gz PDBFOMAAGOOICU-JTQLQIEISA-N 0 0 214.309 2.467 50 0 BEAARN CCCCNC(=O)c1cccc2c[nH]nc21 ZINC000012859109 387028957 /nfs/dbraw/zinc/02/89/57/387028957.db2.gz YVRLREPEOXTFLU-UHFFFAOYSA-N 0 0 217.272 2.093 50 0 BEAARN CC(C)(C)[C@@H](O)CCNC(=O)c1ccsc1 ZINC000075157712 387099515 /nfs/dbraw/zinc/09/95/15/387099515.db2.gz RRWMQKVXMPGCJC-JTQLQIEISA-N 0 0 241.356 2.275 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccs1 ZINC000033000379 387171295 /nfs/dbraw/zinc/17/12/95/387171295.db2.gz KWTJHNWOGRMQMV-SCZZXKLOSA-N 0 0 209.314 2.363 50 0 BEAARN C[C@@H]1SCCN(C(=O)C2CCC2)[C@H]1C ZINC000089920007 387188420 /nfs/dbraw/zinc/18/84/20/387188420.db2.gz SSPODGTZOLVENR-IUCAKERBSA-N 0 0 213.346 2.139 50 0 BEAARN Cc1nnc(CSC2=N[C@@H](C)CS2)o1 ZINC000089522622 387135054 /nfs/dbraw/zinc/13/50/54/387135054.db2.gz LFXBRCOZURRPJT-YFKPBYRVSA-N 0 0 229.330 2.103 50 0 BEAARN CC(C)CCN(Cc1nnnn1C1CC1)C1CC1 ZINC000047912077 387209338 /nfs/dbraw/zinc/20/93/38/387209338.db2.gz PVKMRJGXWPAINN-UHFFFAOYSA-N 0 0 249.362 2.019 50 0 BEAARN CCc1cc(C(=O)NC2CCCCC2)on1 ZINC000064555274 387221606 /nfs/dbraw/zinc/22/16/06/387221606.db2.gz HGQGUCRWPKGNRX-UHFFFAOYSA-N 0 0 222.288 2.300 50 0 BEAARN CCO[C@@H](O)[C@@H](CC)C(=O)Nc1ccccc1 ZINC000004800911 387233431 /nfs/dbraw/zinc/23/34/31/387233431.db2.gz YSOXMMNGBGRDGE-WCQYABFASA-N 0 0 237.299 2.006 50 0 BEAARN O=C1N[C@H]2[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000045027939 387274079 /nfs/dbraw/zinc/27/40/79/387274079.db2.gz STCNNDWFSZWTKE-SSHXOBKSSA-N 0 0 247.297 2.392 50 0 BEAARN COC(=O)[C@]1(Cl)CC[C@H](C(C)C)CC1=O ZINC000043762924 387274321 /nfs/dbraw/zinc/27/43/21/387274321.db2.gz APBKSLQPKAMQRN-KWQFWETISA-N 0 0 232.707 2.162 50 0 BEAARN COC(=O)C1=CC[C@@]23C=CC[C@@H]2CC[C@@H]13 ZINC000071786394 387287911 /nfs/dbraw/zinc/28/79/11/387287911.db2.gz QYPIELPMZNOMBJ-CDMKHQONSA-N 0 0 204.269 2.462 50 0 BEAARN O=C1C[C@@H]2C=C[C@@H]3C[C@@H](O[C@H]4CCCCO4)[C@H]1[C@H]23 ZINC000071786022 387288572 /nfs/dbraw/zinc/28/85/72/387288572.db2.gz KYAFNZNPNMKDLZ-YQBXUVTMSA-N 0 0 248.322 2.309 50 0 BEAARN Cc1c(-c2ccc(F)cc2)c(N)nc2ccnn21 ZINC000253495426 387291580 /nfs/dbraw/zinc/29/15/80/387291580.db2.gz DGWLHHDHHGZFSZ-UHFFFAOYSA-N 0 0 242.257 2.426 50 0 BEAARN Cc1noc(C)c1NC(=O)c1cc(F)c[nH]1 ZINC000336466842 387295186 /nfs/dbraw/zinc/29/51/86/387295186.db2.gz RGPPDQISLAHOGH-UHFFFAOYSA-N 0 0 223.207 2.011 50 0 BEAARN O=C1O[C@@H](O)c2cccc3cccc1c32 ZINC000001734312 387295339 /nfs/dbraw/zinc/29/53/39/387295339.db2.gz IKHBRFXMNHCNDC-LLVKDONJSA-N 0 0 200.193 2.001 50 0 BEAARN CCc1ccc(NC(=O)c2cnns2)cc1 ZINC000040554580 387365961 /nfs/dbraw/zinc/36/59/61/387365961.db2.gz SJLZCKJSDVBZLI-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN CC=CC=CC(=O)Nc1cc(CCC)[nH]n1 ZINC000078914619 387328594 /nfs/dbraw/zinc/32/85/94/387328594.db2.gz QYXFOMJWWMPMRA-QFXXITGJSA-N 0 0 219.288 2.433 50 0 BEAARN Cc1cc(-n2ccnc2)ccc1Cn1ccnc1 ZINC000192081284 387338759 /nfs/dbraw/zinc/33/87/59/387338759.db2.gz MGLSNULGBDQRQE-UHFFFAOYSA-N 0 0 238.294 2.426 50 0 BEAARN COc1cc2c[nH]nc2c(Br)c1 ZINC000079045196 387339928 /nfs/dbraw/zinc/33/99/28/387339928.db2.gz XXUFAKBMMGNXDU-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CCOC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000253611806 387344135 /nfs/dbraw/zinc/34/41/35/387344135.db2.gz LJAPMASBQRQOCI-KGLIPLIRSA-N 0 0 247.338 2.285 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2ncccc2O)o1 ZINC000049225671 387345766 /nfs/dbraw/zinc/34/57/66/387345766.db2.gz ACFMMUQOLVSSEC-SECBINFHSA-N 0 0 246.266 2.180 50 0 BEAARN CC(C)C[C@@H](C(=O)Nc1ncc[nH]1)n1cccc1 ZINC000575443494 387352308 /nfs/dbraw/zinc/35/23/08/387352308.db2.gz YNVJMSMKSRGZFU-NSHDSACASA-N 0 0 246.314 2.437 50 0 BEAARN O=C(C1CCCCCC1)N1CCC[C@H](CO)C1 ZINC000053715342 387435393 /nfs/dbraw/zinc/43/53/93/387435393.db2.gz UIFKZXKABWILKK-LBPRGKRZSA-N 0 0 239.359 2.188 50 0 BEAARN CN(CC(F)F)C(=O)Nc1ccccc1 ZINC000103502085 387436526 /nfs/dbraw/zinc/43/65/26/387436526.db2.gz ITGXSOPIHBCERI-UHFFFAOYSA-N 0 0 214.215 2.415 50 0 BEAARN COCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000077559657 387452043 /nfs/dbraw/zinc/45/20/43/387452043.db2.gz HTFGYHDJXIFHMC-WOPDTQHZSA-N 0 0 242.363 2.241 50 0 BEAARN Cc1ccc(F)c(OCC(=O)N(C)C2CC2)c1 ZINC000085566164 387453590 /nfs/dbraw/zinc/45/35/90/387453590.db2.gz DCOTZQGOMSPOKL-UHFFFAOYSA-N 0 0 237.274 2.134 50 0 BEAARN C[C@H](Cc1ccoc1)NC(=O)c1ccco1 ZINC000084835684 387453605 /nfs/dbraw/zinc/45/36/05/387453605.db2.gz PLSWUAVRQXFAOL-SECBINFHSA-N 0 0 219.240 2.234 50 0 BEAARN Cc1cc(CN(CCCO)c2ccccc2)on1 ZINC000085901369 387455089 /nfs/dbraw/zinc/45/50/89/387455089.db2.gz RMOHTIWQGIXCOQ-UHFFFAOYSA-N 0 0 246.310 2.372 50 0 BEAARN COC(=O)c1cccc(NC(=O)C2CC2)c1C ZINC000012985033 387387010 /nfs/dbraw/zinc/38/70/10/387387010.db2.gz IVILSQYQPCXGSK-UHFFFAOYSA-N 0 0 233.267 2.130 50 0 BEAARN COC(=O)NCc1ccc(-c2ccco2)o1 ZINC000575607967 387395344 /nfs/dbraw/zinc/39/53/44/387395344.db2.gz GGKFRWAUMQPXSB-UHFFFAOYSA-N 0 0 221.212 2.396 50 0 BEAARN CC[C@@H](NC(=O)c1ccc2n[nH]nc2c1)C(C)C ZINC000049252394 387401628 /nfs/dbraw/zinc/40/16/28/387401628.db2.gz GQYFVBYSUFEEMQ-SNVBAGLBSA-N 0 0 246.314 2.122 50 0 BEAARN CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000191438905 387402596 /nfs/dbraw/zinc/40/25/96/387402596.db2.gz WRPVWLVVAPYMEE-STQMWFEESA-N 0 0 248.326 2.036 50 0 BEAARN CN(CC1CCOCC1)C(=O)Cc1ccccc1 ZINC000074915312 387407248 /nfs/dbraw/zinc/40/72/48/387407248.db2.gz KKBNQOIKOMBTON-UHFFFAOYSA-N 0 0 247.338 2.114 50 0 BEAARN COC[C@@H](C)NC(=O)/C=C/c1cccc(C)c1 ZINC000040161024 387415521 /nfs/dbraw/zinc/41/55/21/387415521.db2.gz MBFQFDNIHYBWHT-ABZNLYFFSA-N 0 0 233.311 2.159 50 0 BEAARN CCONC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000040476692 387421073 /nfs/dbraw/zinc/42/10/73/387421073.db2.gz VKSQOZWFRYXPCR-GXSJLCMTSA-N 0 0 237.299 2.403 50 0 BEAARN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccco1 ZINC000191678606 387542806 /nfs/dbraw/zinc/54/28/06/387542806.db2.gz KCWRIZBNBAIIQF-WXHSDQCUSA-N 0 0 249.310 2.053 50 0 BEAARN CO[C@@](C)(CSc1c[nH]nn1)c1ccccc1 ZINC000521395048 387501572 /nfs/dbraw/zinc/50/15/72/387501572.db2.gz YPUDZLYYVOVIBW-LBPRGKRZSA-N 0 0 249.339 2.459 50 0 BEAARN C[C@H](NC(=O)c1ccco1)c1ccccn1 ZINC000028781052 387538313 /nfs/dbraw/zinc/53/83/13/387538313.db2.gz AUYZDLOEECPEPN-VIFPVBQESA-N 0 0 216.240 2.166 50 0 BEAARN O=C(C1CCC1)N1Cc2ccccc2C1 ZINC000105981600 387477472 /nfs/dbraw/zinc/47/74/72/387477472.db2.gz KMXJTILEHRWGNN-UHFFFAOYSA-N 0 0 201.269 2.329 50 0 BEAARN O=C(/C=C/c1ccco1)NC1CCCC1 ZINC000003070590 387483072 /nfs/dbraw/zinc/48/30/72/387483072.db2.gz FCCRHMLMVXSFJR-BQYQJAHWSA-N 0 0 205.257 2.352 50 0 BEAARN CCN1CSC2=N[C@H]3CCCC[C@H]3N2C1=O ZINC000075271531 387492986 /nfs/dbraw/zinc/49/29/86/387492986.db2.gz FTUBOFQSEYUZOP-DTWKUNHWSA-N 0 0 239.344 2.115 50 0 BEAARN Cc1nnc(NC(=O)NC2CCCCC2)s1 ZINC000006219051 387591997 /nfs/dbraw/zinc/59/19/97/387591997.db2.gz RVQNJSBVCMMLLD-UHFFFAOYSA-N 0 0 240.332 2.301 50 0 BEAARN CCc1nc(-c2c(F)cccc2OC)n(C)n1 ZINC000426389509 387562467 /nfs/dbraw/zinc/56/24/67/387562467.db2.gz ULGAPKKOSZJINM-UHFFFAOYSA-N 0 0 235.262 2.192 50 0 BEAARN COc1ccc(-c2c[nH]nc2C2CC2)c(OC)n1 ZINC000426408911 387564633 /nfs/dbraw/zinc/56/46/33/387564633.db2.gz IFJNFNBPUJYWSI-UHFFFAOYSA-N 0 0 245.282 2.366 50 0 BEAARN Cc1nc[nH]c1CNC(=O)[C@@H]1CC12CCCCC2 ZINC000426406050 387564959 /nfs/dbraw/zinc/56/49/59/387564959.db2.gz HUWPVHKWEQHUIS-NSHDSACASA-N 0 0 247.342 2.305 50 0 BEAARN Cc1nccn1[C@H](C)C(=O)NCC1=CCCCC1 ZINC000426465165 387570699 /nfs/dbraw/zinc/57/06/99/387570699.db2.gz KZGMDZOCYLMYDL-LLVKDONJSA-N 0 0 247.342 2.369 50 0 BEAARN COc1ccc(C)nc1-c1ccccc1C(N)=O ZINC000426497303 387576782 /nfs/dbraw/zinc/57/67/82/387576782.db2.gz RTTYAGOQVXNXOB-UHFFFAOYSA-N 0 0 242.278 2.165 50 0 BEAARN CCc1nc(-c2cc(OC)cc(OC)c2)nn1C ZINC000426495604 387577168 /nfs/dbraw/zinc/57/71/68/387577168.db2.gz LVTCKCGPRGPCIZ-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN COC(=O)NCCc1cccc(-c2ncco2)c1 ZINC000215765233 387665765 /nfs/dbraw/zinc/66/57/65/387665765.db2.gz IAVPMHHYIANPTF-UHFFFAOYSA-N 0 0 246.266 2.240 50 0 BEAARN CN(C[C@@H]1CCCOC1)c1ncccc1F ZINC000267730544 387742618 /nfs/dbraw/zinc/74/26/18/387742618.db2.gz CSTAPZRBEQWBRK-JTQLQIEISA-N 0 0 224.279 2.084 50 0 BEAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000006730713 387810616 /nfs/dbraw/zinc/81/06/16/387810616.db2.gz HLXFNTVBNKCAEP-JOYOIKCWSA-N 0 0 237.274 2.123 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1cnn(C)c1C ZINC000058283732 387838607 /nfs/dbraw/zinc/83/86/07/387838607.db2.gz GTCRRMDBJUAODQ-NSHDSACASA-N 0 0 235.331 2.133 50 0 BEAARN CCc1cccc(C)c1NC(=O)NCCOC ZINC000036179387 387843830 /nfs/dbraw/zinc/84/38/30/387843830.db2.gz HXRNNWOPPAXLDO-UHFFFAOYSA-N 0 0 236.315 2.325 50 0 BEAARN COC(C)(C)C(=O)Nc1cccc(F)c1F ZINC000224025329 387849423 /nfs/dbraw/zinc/84/94/23/387849423.db2.gz VAENXLZLJCKSTH-UHFFFAOYSA-N 0 0 229.226 2.328 50 0 BEAARN CC(=O)N[C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000013777703 387850148 /nfs/dbraw/zinc/85/01/48/387850148.db2.gz DNJBLXBGYRYOBT-SNVBAGLBSA-N 0 0 228.295 2.161 50 0 in-vivo BEAARN Cc1ccnc(-n2c(CO)nc3ccccc32)c1 ZINC000065430245 387856516 /nfs/dbraw/zinc/85/65/16/387856516.db2.gz WHDMYEAHVVNREQ-UHFFFAOYSA-N 0 0 239.278 2.221 50 0 BEAARN C[Si](C)(C)CS(=O)(=O)c1ccccc1 ZINC000169795183 387869294 /nfs/dbraw/zinc/86/92/94/387869294.db2.gz OEXJFEDAGJGOEP-UHFFFAOYSA-N 0 0 228.389 2.338 50 0 BEAARN Cc1noc(CNc2cccc(F)c2F)n1 ZINC000065207346 387885914 /nfs/dbraw/zinc/88/59/14/387885914.db2.gz MHKGBNULDSXRLQ-UHFFFAOYSA-N 0 0 225.198 2.268 50 0 BEAARN Cc1cc(C)c(C(=O)N[C@@H]2CCOC2)c(C)c1 ZINC000089236264 177848281 /nfs/dbraw/zinc/84/82/81/177848281.db2.gz XBOYRQVPGHECEU-GFCCVEGCSA-N 0 0 233.311 2.131 50 0 BEAARN CC(C)CNC(=O)c1ccc2snnc2c1 ZINC000006809205 387908571 /nfs/dbraw/zinc/90/85/71/387908571.db2.gz XNSDERAHIFEPOB-UHFFFAOYSA-N 0 0 235.312 2.077 50 0 BEAARN Cc1cc(C(=O)Nc2cn[nH]c2)c(C)s1 ZINC000035237717 177820198 /nfs/dbraw/zinc/82/01/98/177820198.db2.gz ZQBIQIDQABQXHJ-UHFFFAOYSA-N 0 0 221.285 2.340 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)no1 ZINC000013326575 177817451 /nfs/dbraw/zinc/81/74/51/177817451.db2.gz HITCNOIODNIACX-UHFFFAOYSA-N 0 0 245.282 2.301 50 0 BEAARN Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c(C)o1 ZINC000012888010 177816740 /nfs/dbraw/zinc/81/67/40/177816740.db2.gz OKHDPXUKYFILMI-UHFFFAOYSA-N 0 0 247.298 2.499 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)C(C)(C)C)on1 ZINC000078652684 177798031 /nfs/dbraw/zinc/79/80/31/177798031.db2.gz XUWPZEYSMVNSKG-QMMMGPOBSA-N 0 0 210.277 2.147 50 0 BEAARN O=C([O-])C[N@H+](CC1CC1)C1CCCCC1 ZINC000036885963 387996655 /nfs/dbraw/zinc/99/66/55/387996655.db2.gz ZYOZGNSGRJKFBN-UHFFFAOYSA-N 0 0 211.305 2.116 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCOC1 ZINC000246158858 388014346 /nfs/dbraw/zinc/01/43/46/388014346.db2.gz NQPNPEVKUAGVCJ-MROQNXINSA-N 0 0 237.343 2.203 50 0 BEAARN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)[O-] ZINC000266998291 388083268 /nfs/dbraw/zinc/08/32/68/388083268.db2.gz BYGXVAMIPMPPGN-DGCLKSJQSA-N 0 0 233.311 2.024 50 0 BEAARN Cc1cc(CN(C)CCc2ccncc2)no1 ZINC000065588571 388098690 /nfs/dbraw/zinc/09/86/90/388098690.db2.gz FZTBABBVFQAYOR-UHFFFAOYSA-N 0 0 231.299 2.053 50 0 BEAARN Cc1csc(CNC(=O)c2ccc(C)nc2)n1 ZINC000037143013 388167899 /nfs/dbraw/zinc/16/78/99/388167899.db2.gz WQCHBXFSVWHDRA-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cn1nccc1-c1ccc2c(c1)OCCC[C@@H]2O ZINC000521396566 256515138 /nfs/dbraw/zinc/51/51/38/256515138.db2.gz NRRYWKBSONUYKA-ZDUSSCGKSA-N 0 0 244.294 2.293 50 0 BEAARN C[C@@H](NC(=O)NC1CCCC1)c1ccccn1 ZINC000013744644 388174309 /nfs/dbraw/zinc/17/43/09/388174309.db2.gz HQJNDQAUBWFFSW-SNVBAGLBSA-N 0 0 233.315 2.384 50 0 BEAARN CCCCNC(=O)N[C@@H](C)c1ccccn1 ZINC000013744681 388174562 /nfs/dbraw/zinc/17/45/62/388174562.db2.gz BSBRLMYGWAHPBJ-JTQLQIEISA-N 0 0 221.304 2.242 50 0 BEAARN CCCCNC(=O)N[C@@H](C)c1cccnc1 ZINC000013331935 388130369 /nfs/dbraw/zinc/13/03/69/388130369.db2.gz SYRZATJHFQIMCP-JTQLQIEISA-N 0 0 221.304 2.242 50 0 BEAARN Cc1nc(C(=O)NC2CCCCC2)c(C)o1 ZINC000065293360 388256038 /nfs/dbraw/zinc/25/60/38/388256038.db2.gz BHCSUSDIXAVJEH-UHFFFAOYSA-N 0 0 222.288 2.354 50 0 BEAARN O=C1NC2(CCCC2)OC2=C1CCCC2 ZINC000170621862 388259201 /nfs/dbraw/zinc/25/92/01/388259201.db2.gz FHHRTDXIEMNAIZ-UHFFFAOYSA-N 0 0 207.273 2.231 50 0 BEAARN Cc1cc(C(=O)N2CCc3ccccc3C2)on1 ZINC000006738076 177767416 /nfs/dbraw/zinc/76/74/16/177767416.db2.gz YQVZRRXNHRHEIJ-UHFFFAOYSA-N 0 0 242.278 2.182 50 0 BEAARN Cc1cc(C)c(-n2cc(CCO)cn2)cc1C ZINC000065384011 388260483 /nfs/dbraw/zinc/26/04/83/388260483.db2.gz OOQPHVCMXZZYCE-UHFFFAOYSA-N 0 0 230.311 2.332 50 0 BEAARN CC[C@H](CSC)Nc1nccc(OC)n1 ZINC000162142925 388346935 /nfs/dbraw/zinc/34/69/35/388346935.db2.gz ZDJXFDOLYHEFHF-MRVPVSSYSA-N 0 0 227.333 2.039 50 0 BEAARN O=C(Nc1nnc(C2CC2)s1)c1ccccn1 ZINC000002651158 388347648 /nfs/dbraw/zinc/34/76/48/388347648.db2.gz JAQXDSCTRKSCGR-UHFFFAOYSA-N 0 0 246.295 2.063 50 0 BEAARN O=C1Nc2ccccc2C12O[C@@H]1CCCC[C@H]1O2 ZINC000001461251 388349109 /nfs/dbraw/zinc/34/91/09/388349109.db2.gz BXNQCLJYOVTQDD-VXGBXAGGSA-N 0 0 245.278 2.150 50 0 BEAARN Cc1csc(CNC(=O)/C=C\c2ccco2)n1 ZINC000056649933 388350942 /nfs/dbraw/zinc/35/09/42/388350942.db2.gz IKXRATJTLRCFAF-PLNGDYQASA-N 0 0 248.307 2.374 50 0 BEAARN Cc1ccc(CN=Nc2ccc(Cl)nn2)o1 ZINC000254735305 388354641 /nfs/dbraw/zinc/35/46/41/388354641.db2.gz ZBPAFKLUCLHNLR-UHFFFAOYSA-N 0 0 236.662 2.477 50 0 BEAARN CON(C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000089657477 388358303 /nfs/dbraw/zinc/35/83/03/388358303.db2.gz KYKXCMILXQUUBR-UHFFFAOYSA-N 0 0 232.283 2.418 50 0 BEAARN CC(C)(C)OC(=O)NC[C@](C)(O)c1ccco1 ZINC000089662499 388359142 /nfs/dbraw/zinc/35/91/42/388359142.db2.gz GDFJWEGKOQASAY-LBPRGKRZSA-N 0 0 241.287 2.012 50 0 BEAARN O=C(OCc1cncs1)c1ccc(F)cn1 ZINC000122274990 388370829 /nfs/dbraw/zinc/37/08/29/388370829.db2.gz LDZJQLKMULWDCN-UHFFFAOYSA-N 0 0 238.243 2.034 50 0 BEAARN CC(C)(C)SCCNC(=O)C1CC1 ZINC000066739041 388403591 /nfs/dbraw/zinc/40/35/91/388403591.db2.gz VNGDPJVOSDABTG-UHFFFAOYSA-N 0 0 201.335 2.044 50 0 BEAARN Cc1nnc(CN(C)[C@@H]2CCc3ccccc32)o1 ZINC000042635216 388444272 /nfs/dbraw/zinc/44/42/72/388444272.db2.gz GQKARBBIRIGEHD-CYBMUJFWSA-N 0 0 243.310 2.497 50 0 BEAARN CC/C=C(\C)C(=O)Nc1ccc(OC)nc1 ZINC000042720865 388445437 /nfs/dbraw/zinc/44/54/37/388445437.db2.gz SEVZGSOPCSNEAQ-WEVVVXLNSA-N 0 0 220.272 2.385 50 0 BEAARN C[C@H]1C[C@H](O)CN(c2nccc3occc32)C1 ZINC000335236621 388448926 /nfs/dbraw/zinc/44/89/26/388448926.db2.gz JUMZMFGZHMTMDR-UWVGGRQHSA-N 0 0 232.283 2.035 50 0 BEAARN C[C@@H](CC(=O)NCCCCO)C1CCCCC1 ZINC000194971506 388458378 /nfs/dbraw/zinc/45/83/78/388458378.db2.gz SNXHJEAORGYWKK-LBPRGKRZSA-N 0 0 241.375 2.482 50 0 BEAARN CN(C[C@@H]1CCOC1)C(=O)Nc1ccccc1 ZINC000175149704 388458872 /nfs/dbraw/zinc/45/88/72/388458872.db2.gz PAIPUMQCUDUXCZ-NSHDSACASA-N 0 0 234.299 2.187 50 0 BEAARN CNc1nc(-c2ccc(O)cc2O)cs1 ZINC000007780740 388466434 /nfs/dbraw/zinc/46/64/34/388466434.db2.gz BUKDCGGJXBHTEV-UHFFFAOYSA-N 0 0 222.269 2.263 50 0 BEAARN CC(=O)N(CC(F)F)c1ccc(F)cc1 ZINC000193868335 388468415 /nfs/dbraw/zinc/46/84/15/388468415.db2.gz CUAQWNFGYJJJDG-UHFFFAOYSA-N 0 0 217.190 2.444 50 0 BEAARN C[C@@H]1c2ccccc2CC[N@H+]1CCCC(=O)[O-] ZINC000172094769 388407150 /nfs/dbraw/zinc/40/71/50/388407150.db2.gz FXMDJYFKWRVRGE-LLVKDONJSA-N 0 0 233.311 2.471 50 0 BEAARN Cc1ccc(N2CCOC2=O)c(-c2cc[nH]n2)c1 ZINC000067872498 388407348 /nfs/dbraw/zinc/40/73/48/388407348.db2.gz HMTCOLHABPTRDK-UHFFFAOYSA-N 0 0 243.266 2.342 50 0 BEAARN Cc1ccc([C@H](C)Nc2ncnc3n[nH]cc32)o1 ZINC000170634684 388407948 /nfs/dbraw/zinc/40/79/48/388407948.db2.gz HOLDRCRVQQRKNZ-QMMMGPOBSA-N 0 0 243.270 2.427 50 0 BEAARN Cc1ccc([C@@H](C)Nc2ncnc3n[nH]cc32)o1 ZINC000170634681 388407956 /nfs/dbraw/zinc/40/79/56/388407956.db2.gz HOLDRCRVQQRKNZ-MRVPVSSYSA-N 0 0 243.270 2.427 50 0 BEAARN C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)C1CC1 ZINC000039527616 388409632 /nfs/dbraw/zinc/40/96/32/388409632.db2.gz LZWVPAOYWQMHDQ-GWCFXTLKSA-N 0 0 245.322 2.152 50 0 BEAARN Cn1cccc1C(=O)N[C@H]1CCCc2occc21 ZINC000069351050 388414772 /nfs/dbraw/zinc/41/47/72/388414772.db2.gz UYWOVXVJKMPZQJ-NSHDSACASA-N 0 0 244.294 2.426 50 0 BEAARN CCN(C1CC1)S(=O)(=O)c1ccc(C)s1 ZINC000069351454 388414876 /nfs/dbraw/zinc/41/48/76/388414876.db2.gz CTALQAYONJRNHR-UHFFFAOYSA-N 0 0 245.369 2.230 50 0 BEAARN CC(C)C(=O)N[C@@H]1CCCc2occc21 ZINC000069373364 388415808 /nfs/dbraw/zinc/41/58/08/388415808.db2.gz JADBAAHMWJCFBW-SNVBAGLBSA-N 0 0 207.273 2.429 50 0 BEAARN O=C(CC(F)(F)F)NCc1cccs1 ZINC000040496628 388418665 /nfs/dbraw/zinc/41/86/65/388418665.db2.gz IWDIJVQCSPYQAA-UHFFFAOYSA-N 0 0 223.219 2.317 50 0 BEAARN c1ccc(N2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000069653753 388423109 /nfs/dbraw/zinc/42/31/09/388423109.db2.gz BOJAAJVREHISSN-GFCCVEGCSA-N 0 0 240.310 2.167 50 0 BEAARN O=C(C1CCCC1)N1CCC[C@@H]1Cn1cccn1 ZINC000069949860 388430562 /nfs/dbraw/zinc/43/05/62/388430562.db2.gz SRBLCSCYSVMUGQ-CYBMUJFWSA-N 0 0 247.342 2.064 50 0 BEAARN CN(Cc1cccs1)c1ncnc2n[nH]cc21 ZINC000041121166 388432007 /nfs/dbraw/zinc/43/20/07/388432007.db2.gz XJAVBWSRMIMTMH-UHFFFAOYSA-N 0 0 245.311 2.051 50 0 BEAARN O=C(O[C@H]1CCc2cccnc21)c1cscn1 ZINC000195579213 388497837 /nfs/dbraw/zinc/49/78/37/388497837.db2.gz ODIAYZQHCIIEFC-JTQLQIEISA-N 0 0 246.291 2.382 50 0 BEAARN CN(Cc1ccc(O)cc1)c1ccccn1 ZINC000195576792 388498031 /nfs/dbraw/zinc/49/80/31/388498031.db2.gz DWNGECJBXWHZHB-UHFFFAOYSA-N 0 0 214.268 2.424 50 0 BEAARN Fc1cccnc1N1CCO[C@@H]2CCCC[C@H]21 ZINC000253370152 388589313 /nfs/dbraw/zinc/58/93/13/388589313.db2.gz MTIQZORFXGLLSD-VXGBXAGGSA-N 0 0 236.290 2.369 50 0 BEAARN Nc1n[nH]c(SC[C@H]2CCc3ccccc32)n1 ZINC000253425687 388592097 /nfs/dbraw/zinc/59/20/97/388592097.db2.gz LGGYBYVTZPJAQT-SECBINFHSA-N 0 0 246.339 2.209 50 0 BEAARN CC(C)C[C@@H](C)OC(=O)N1CCC[C@@H](O)C1 ZINC000253419737 388592202 /nfs/dbraw/zinc/59/22/02/388592202.db2.gz RPMRXLZLDVFDMD-GHMZBOCLSA-N 0 0 229.320 2.014 50 0 BEAARN c1cnn(OCc2cc(-c3cccs3)on2)c1 ZINC000253419665 388592317 /nfs/dbraw/zinc/59/23/17/388592317.db2.gz QVWOMQUKSJGVAQ-UHFFFAOYSA-N 0 0 247.279 2.228 50 0 BEAARN Cc1ccc(CC(=O)OC[C@@]2(C)CCCO2)cn1 ZINC000253424159 388592325 /nfs/dbraw/zinc/59/23/25/388592325.db2.gz BAGIDJLHCVKGAY-CQSZACIVSA-N 0 0 249.310 2.045 50 0 BEAARN c1[nH]nc2ncnc(N3CCC[C@@H]4CCC[C@H]43)c12 ZINC000108088571 388611918 /nfs/dbraw/zinc/61/19/18/388611918.db2.gz NWOUTFYLCNZFMF-GXSJLCMTSA-N 0 0 243.314 2.122 50 0 BEAARN Cc1cc(C)c2c(n[nH]c2-n2cccc2)n1 ZINC000008578088 388668402 /nfs/dbraw/zinc/66/84/02/388668402.db2.gz FGIWFQSFCNQKNJ-UHFFFAOYSA-N 0 0 212.256 2.365 50 0 BEAARN Clc1ncnc2cc(Br)[nH]c21 ZINC000066323439 388683069 /nfs/dbraw/zinc/68/30/69/388683069.db2.gz IYPTWTNEWAVBBM-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CN(C[C@@H]1CCOC1)c1ccncc1Cl ZINC000170654197 388683602 /nfs/dbraw/zinc/68/36/02/388683602.db2.gz NCRYGHSBJWPRTR-VIFPVBQESA-N 0 0 226.707 2.208 50 0 BEAARN O=C(OCc1ccccc1)N1CC(F)(F)C1 ZINC000091368702 388628544 /nfs/dbraw/zinc/62/85/44/388628544.db2.gz ZBRSJJGVLLSNLG-UHFFFAOYSA-N 0 0 227.210 2.274 50 0 BEAARN CO[C@H](C)C(=O)N1CCc2c1cccc2Cl ZINC000089420197 388737128 /nfs/dbraw/zinc/73/71/28/388737128.db2.gz ZILSDKQDOSKIDG-MRVPVSSYSA-N 0 0 239.702 2.264 50 0 BEAARN Cc1noc(C)c1Cc1nc(C2CC2)no1 ZINC000078774236 388739741 /nfs/dbraw/zinc/73/97/41/388739741.db2.gz SYLXSQDCGHXJHN-UHFFFAOYSA-N 0 0 219.244 2.143 50 0 BEAARN Cn1ccnc1-c1cccc(-c2cc[nH]n2)c1 ZINC000019866604 388749252 /nfs/dbraw/zinc/74/92/52/388749252.db2.gz BNYKRFSVLYKKMK-UHFFFAOYSA-N 0 0 224.267 2.477 50 0 BEAARN CC[C@@H](C)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000330032474 388753469 /nfs/dbraw/zinc/75/34/69/388753469.db2.gz NUXBBVYHFWQUDU-LLVKDONJSA-N 0 0 247.404 2.074 50 0 BEAARN COC(=O)c1ccc(NC2CCCCCC2)nn1 ZINC000037404329 388753980 /nfs/dbraw/zinc/75/39/80/388753980.db2.gz TXOFJFPPNCAEPT-UHFFFAOYSA-N 0 0 249.314 2.398 50 0 BEAARN COC(=O)c1ccoc1CN1CCC(C)CC1 ZINC000055255741 388693713 /nfs/dbraw/zinc/69/37/13/388693713.db2.gz PVZFNZZQIPIPEX-UHFFFAOYSA-N 0 0 237.299 2.298 50 0 BEAARN O=C1NCc2c1cc(Cl)cc2Cl ZINC000080443352 388709732 /nfs/dbraw/zinc/70/97/32/388709732.db2.gz QQNMVGPIDSWXTK-UHFFFAOYSA-N 0 0 202.040 2.237 50 0 BEAARN Cc1ccc(S(=O)(=O)CC(C)C)cc1 ZINC000012358895 388716944 /nfs/dbraw/zinc/71/69/44/388716944.db2.gz ZZNRWQIJBHJNCS-UHFFFAOYSA-N 0 0 212.314 2.425 50 0 BEAARN Cc1noc(C)c1CC(=O)Nc1ccccc1O ZINC000012880142 388724041 /nfs/dbraw/zinc/72/40/41/388724041.db2.gz SSZWUJWUCLMFIJ-UHFFFAOYSA-N 0 0 246.266 2.178 50 0 BEAARN CC(C)(C)CNC(=O)CC[C@@H]1CCCOC1 ZINC000095963431 388795988 /nfs/dbraw/zinc/79/59/88/388795988.db2.gz UETSHTRXWPBBDU-NSHDSACASA-N 0 0 227.348 2.356 50 0 BEAARN COCc1nsc(N2[C@@H](C)CC[C@@H]2C)n1 ZINC000095978564 388797190 /nfs/dbraw/zinc/79/71/90/388797190.db2.gz JLPOSRJRZSEDSJ-YUMQZZPRSA-N 0 0 227.333 2.062 50 0 BEAARN CC(C)[C@@H](O)CCNc1nc2ccccc2[nH]1 ZINC000095977449 388797509 /nfs/dbraw/zinc/79/75/09/388797509.db2.gz FFVNMAXWCPJVHM-LBPRGKRZSA-N 0 0 233.315 2.382 50 0 BEAARN COCc1cccc(Cn2ccnc2C)c1 ZINC000095990944 388801759 /nfs/dbraw/zinc/80/17/59/388801759.db2.gz WKOWFOKEORGPFD-UHFFFAOYSA-N 0 0 216.284 2.386 50 0 BEAARN COC[C@@H](C)Nc1nc(-c2ccc(C)cc2)no1 ZINC000095994678 388802097 /nfs/dbraw/zinc/80/20/97/388802097.db2.gz KJXJNVKKQOINNL-SNVBAGLBSA-N 0 0 247.298 2.492 50 0 BEAARN c1c[nH]c(COCc2nc3ccccc3o2)n1 ZINC000095990958 388802327 /nfs/dbraw/zinc/80/23/27/388802327.db2.gz WXEBXWRRQFNUIM-UHFFFAOYSA-N 0 0 229.239 2.268 50 0 BEAARN CCCn1cc(N[C@@H](C)CCn2cccn2)cn1 ZINC000095996931 388802379 /nfs/dbraw/zinc/80/23/79/388802379.db2.gz HCVYYQJDGUVGGY-LBPRGKRZSA-N 0 0 247.346 2.380 50 0 BEAARN Cc1cc(C)cc(C(=O)Oc2cnn(C)c2)c1 ZINC000170685757 388802457 /nfs/dbraw/zinc/80/24/57/388802457.db2.gz RFMZADXJARUGDU-UHFFFAOYSA-N 0 0 230.267 2.256 50 0 BEAARN C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1ccccc1F ZINC000170689330 388804304 /nfs/dbraw/zinc/80/43/04/388804304.db2.gz VKJNRBMNTUBNED-HCYDYPBKSA-N 0 0 242.315 2.252 50 0 BEAARN CO[C@@H](CNC(=O)C1CCC1)c1ccsc1 ZINC000096097361 388806298 /nfs/dbraw/zinc/80/62/98/388806298.db2.gz RFYVDFGFIZWIPD-NSHDSACASA-N 0 0 239.340 2.352 50 0 BEAARN CS[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000096119993 388808664 /nfs/dbraw/zinc/80/86/64/388808664.db2.gz UBBAVMXIVOGSHT-LLVKDONJSA-N 0 0 239.315 2.403 50 0 BEAARN CCn1nc(C)c(C=Cc2nccc(=O)[nH]2)c1C ZINC000254508841 388809242 /nfs/dbraw/zinc/80/92/42/388809242.db2.gz ZBHREAREGDZHRR-WAYWQWQTSA-N 0 0 244.298 2.186 50 0 BEAARN CS[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC000096119991 388809375 /nfs/dbraw/zinc/80/93/75/388809375.db2.gz DURLHEPLJGOUBM-SGUJLRQBSA-N 0 0 237.324 2.257 50 0 BEAARN CCO[C@@H]1C[C@@H](NC(C)=O)C12CCCCC2 ZINC000095402004 388765297 /nfs/dbraw/zinc/76/52/97/388765297.db2.gz CXLNJOZSTFFEFK-VXGBXAGGSA-N 0 0 225.332 2.250 50 0 BEAARN Cc1cc(=O)n(C)cc1NC(=O)CCC(C)C ZINC000080381348 388765545 /nfs/dbraw/zinc/76/55/45/388765545.db2.gz FKQDBDOVNFWGJB-UHFFFAOYSA-N 0 0 236.315 2.068 50 0 BEAARN Cc1cnc(COC(=O)c2scnc2C)o1 ZINC000095405261 388765695 /nfs/dbraw/zinc/76/56/95/388765695.db2.gz YCQFUBOLXVYQPS-UHFFFAOYSA-N 0 0 238.268 2.105 50 0 BEAARN CSc1ccc(N(C)Cc2ccncc2)nn1 ZINC000095403054 388766048 /nfs/dbraw/zinc/76/60/48/388766048.db2.gz IVBQPOJLLRMHKN-UHFFFAOYSA-N 0 0 246.339 2.230 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)Nc2cccnn2)o1 ZINC000095411875 388767710 /nfs/dbraw/zinc/76/77/10/388767710.db2.gz LWCJCXGIAXXWTR-SECBINFHSA-N 0 0 246.270 2.261 50 0 BEAARN Cc1n[nH]cc1C[N@H+](C)CCOc1ccccc1 ZINC000095430311 388768690 /nfs/dbraw/zinc/76/86/90/388768690.db2.gz YBTMUVOGLJRKFC-UHFFFAOYSA-N 0 0 245.326 2.229 50 0 BEAARN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(C)=O ZINC000095423387 388768970 /nfs/dbraw/zinc/76/89/70/388768970.db2.gz OVCBAGNIFOUREM-WDEREUQCSA-N 0 0 213.321 2.058 50 0 BEAARN CS[C@@H](C(=O)NCc1ccco1)C(C)C ZINC000095425874 388769444 /nfs/dbraw/zinc/76/94/44/388769444.db2.gz YANIOGFCFYURBT-SNVBAGLBSA-N 0 0 227.329 2.283 50 0 BEAARN CSCCCNC(=O)N[C@@H](C)c1ccoc1 ZINC000095421901 388769877 /nfs/dbraw/zinc/76/98/77/388769877.db2.gz MLKAWSQAMSHUSS-VIFPVBQESA-N 0 0 242.344 2.393 50 0 BEAARN CCOc1ccccc1N(C)C(=O)CCOC ZINC000095438321 388770941 /nfs/dbraw/zinc/77/09/41/388770941.db2.gz HIVWWVHDIIGTIN-UHFFFAOYSA-N 0 0 237.299 2.085 50 0 BEAARN CCO[C@@H](CC)C(=O)Nc1ccccc1O ZINC000095442658 388771161 /nfs/dbraw/zinc/77/11/61/388771161.db2.gz CQZHACWJVSTDBM-NSHDSACASA-N 0 0 223.272 2.146 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)nc1 ZINC000095448441 388772874 /nfs/dbraw/zinc/77/28/74/388772874.db2.gz ZTECGFYZKXSCBM-CMPLNLGQSA-N 0 0 246.310 2.334 50 0 BEAARN COC(=O)C[C@@H](CC(C)C)c1c(C)[nH][nH]c1=O ZINC000095475648 388776862 /nfs/dbraw/zinc/77/68/62/388776862.db2.gz FOBHZEUNYANFCD-SECBINFHSA-N 0 0 240.303 2.117 50 0 BEAARN COC(=O)C[C@H](CC(C)C)c1c(C)[nH][nH]c1=O ZINC000095475647 388777483 /nfs/dbraw/zinc/77/74/83/388777483.db2.gz FOBHZEUNYANFCD-VIFPVBQESA-N 0 0 240.303 2.117 50 0 BEAARN CCOc1ccc(/C=C\C(=O)NC2CC2)cc1 ZINC000095935917 388791781 /nfs/dbraw/zinc/79/17/81/388791781.db2.gz LLXUQYSZJYHSOD-YHYXMXQVSA-N 0 0 231.295 2.377 50 0 BEAARN C[C@@H]1CCCCN1c1cc(C(=O)N(C)C)ccn1 ZINC000096402663 388817191 /nfs/dbraw/zinc/81/71/91/388817191.db2.gz LHBZKSHANXIDCP-LLVKDONJSA-N 0 0 247.342 2.162 50 0 BEAARN CCn1nc(C)cc1C(=O)OC1(C2CC2)CC1 ZINC000096459791 388819759 /nfs/dbraw/zinc/81/97/59/388819759.db2.gz CJSXCLJESNLYMB-UHFFFAOYSA-N 0 0 234.299 2.311 50 0 BEAARN O=C1c2ccccc2C(=O)N1OCc1ccco1 ZINC000021999777 388824110 /nfs/dbraw/zinc/82/41/10/388824110.db2.gz ROUSXZGKXRFOBH-UHFFFAOYSA-N 0 0 243.218 2.007 50 0 BEAARN Cc1noc(C)c1CS[C@H](C)C(=O)N(C)C ZINC000096946814 388828089 /nfs/dbraw/zinc/82/80/89/388828089.db2.gz DUHDWARLFZRUAD-SECBINFHSA-N 0 0 242.344 2.001 50 0 BEAARN C[C@@H]1OCC[C@H]1Sc1ccc2nccnc2n1 ZINC000097021247 388829205 /nfs/dbraw/zinc/82/92/05/388829205.db2.gz AGQPHFRTFSHPNK-WCBMZHEXSA-N 0 0 247.323 2.294 50 0 BEAARN CS(=O)(=O)c1nc2c(ccc3ccccc23)o1 ZINC000002519723 388835078 /nfs/dbraw/zinc/83/50/78/388835078.db2.gz WHXBUQIDBNMZAX-UHFFFAOYSA-N 0 0 247.275 2.385 50 0 BEAARN COC(=O)c1cc(NC(C)=O)c(C)cc1C ZINC000225561943 388836833 /nfs/dbraw/zinc/83/68/33/388836833.db2.gz XYGIRBIMXZADIX-UHFFFAOYSA-N 0 0 221.256 2.048 50 0 BEAARN Clc1ccsc1CNCc1cc[nH]n1 ZINC000225610334 388839259 /nfs/dbraw/zinc/83/92/59/388839259.db2.gz ICOOIHWQNZVRAC-UHFFFAOYSA-N 0 0 227.720 2.414 50 0 BEAARN CCN(CC)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000004866468 388858298 /nfs/dbraw/zinc/85/82/98/388858298.db2.gz GTVUMRKCLOXJLX-GHMZBOCLSA-N 0 0 212.337 2.426 50 0 BEAARN Cc1nscc1-c1nc([C@H]2CCOC2)no1 ZINC000252487273 388858849 /nfs/dbraw/zinc/85/88/49/388858849.db2.gz HTSKJQOZOMFXHI-ZETCQYMHSA-N 0 0 237.284 2.005 50 0 BEAARN Cc1cc(-c2nn3c(nnc3C(C)C)s2)no1 ZINC000012390365 177694241 /nfs/dbraw/zinc/69/42/41/177694241.db2.gz BLAMGZPNKDDDJG-UHFFFAOYSA-N 0 0 249.299 2.273 50 0 BEAARN C[C@H](CNCC(F)(F)CO)c1ccccc1 ZINC000194708115 388880770 /nfs/dbraw/zinc/88/07/70/388880770.db2.gz ZOJUYRLTTQFXLT-SNVBAGLBSA-N 0 0 229.270 2.007 50 0 BEAARN C[C@@H]1CN(c2ccccc2C=O)C[C@@H](C)O1 ZINC000020078941 132329682 /nfs/dbraw/zinc/32/96/82/132329682.db2.gz JSCXWWYPBOWKLA-GHMZBOCLSA-N 0 0 219.284 2.113 50 0 BEAARN CC(=O)N1CCCc2ccc(F)c(F)c21 ZINC000271403200 132199153 /nfs/dbraw/zinc/19/91/53/132199153.db2.gz WBOXIGUIUJZMBB-UHFFFAOYSA-N 0 0 211.211 2.264 50 0 BEAARN C[C@@H]1CN(c2ccccc2O)C[C@@H](C)O1 ZINC000000100092 132206460 /nfs/dbraw/zinc/20/64/60/132206460.db2.gz DYCHIQQCVMTNFP-NXEZZACHSA-N 0 0 207.273 2.006 50 0 BEAARN O=Cc1cc2c3c(c1)CCCN3CCC2 ZINC000004532632 132316598 /nfs/dbraw/zinc/31/65/98/132316598.db2.gz XIIVBURSIWWDEO-UHFFFAOYSA-N 0 0 201.269 2.198 50 0 BEAARN CCS(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000006741586 132318287 /nfs/dbraw/zinc/31/82/87/132318287.db2.gz DGFXUBIDKSQNNQ-UHFFFAOYSA-N 0 0 239.340 2.097 50 0 BEAARN C[C@H]1CN(C(=O)n2ccnc2)c2ccccc2O1 ZINC000006751617 132318426 /nfs/dbraw/zinc/31/84/26/132318426.db2.gz JTILRCTUZDOOFC-JTQLQIEISA-N 0 0 243.266 2.139 50 0 BEAARN Cc1cc(N2CCc3ccccc3C2)ncn1 ZINC000011902807 132320974 /nfs/dbraw/zinc/32/09/74/132320974.db2.gz DRHCJNNASHHAJD-UHFFFAOYSA-N 0 0 225.295 2.348 50 0 BEAARN Cc1nc2ccccc2nc1N1CCO[C@@H](C)C1 ZINC000012911246 132321768 /nfs/dbraw/zinc/32/17/68/132321768.db2.gz GNCUOFOJWHWNND-JTQLQIEISA-N 0 0 243.310 2.163 50 0 BEAARN Cc1ccccc1N1CCN(C(=O)C2CC2)CC1 ZINC000016603422 132323317 /nfs/dbraw/zinc/32/33/17/132323317.db2.gz DXYZJSWWRANDNE-UHFFFAOYSA-N 0 0 244.338 2.054 50 0 BEAARN Cc1cc(F)ccc1N1CCC(=O)CC1 ZINC000019087729 132324147 /nfs/dbraw/zinc/32/41/47/132324147.db2.gz ILMQOZJYZVXWJK-UHFFFAOYSA-N 0 0 207.248 2.303 50 0 BEAARN CCN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000019871146 132328234 /nfs/dbraw/zinc/32/82/34/132328234.db2.gz UCINQQCVDYBSCO-UHFFFAOYSA-N 0 0 232.327 2.031 50 0 BEAARN CN1CSC(=S)N(c2ccccc2)C1 ZINC000031778700 132334767 /nfs/dbraw/zinc/33/47/67/132334767.db2.gz CQRXWKWYGVROAN-UHFFFAOYSA-N 0 0 224.354 2.372 50 0 BEAARN C[C@H]1C[C@@H](N2CCCc3ccccc32)C(=O)O1 ZINC000036396611 132342266 /nfs/dbraw/zinc/34/22/66/132342266.db2.gz YWQFJMKZRJTAKW-GXFFZTMASA-N 0 0 231.295 2.143 50 0 BEAARN C[C@H]1C[C@H](N2CCCc3ccccc32)C(=O)O1 ZINC000036396609 132342305 /nfs/dbraw/zinc/34/23/05/132342305.db2.gz YWQFJMKZRJTAKW-GWCFXTLKSA-N 0 0 231.295 2.143 50 0 BEAARN Cc1nc2ncnc(N3C[C@H](C)C[C@@H](C)C3)c2[nH]1 ZINC000041123974 132349459 /nfs/dbraw/zinc/34/94/59/132349459.db2.gz DZSKCVMHJWQCMH-RKDXNWHRSA-N 0 0 245.330 2.144 50 0 BEAARN Cc1nc2ccccc2nc1N1CCSCC1 ZINC000048562053 132355684 /nfs/dbraw/zinc/35/56/84/132355684.db2.gz SNQKTOPTJVBHFP-UHFFFAOYSA-N 0 0 245.351 2.491 50 0 BEAARN CC(C)NC(=S)N1CCCc2ncccc21 ZINC000055023841 132365332 /nfs/dbraw/zinc/36/53/32/132365332.db2.gz PMWVQXWXGHOXNS-UHFFFAOYSA-N 0 0 235.356 2.117 50 0 BEAARN CNC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000064554752 132389625 /nfs/dbraw/zinc/38/96/25/132389625.db2.gz HIRZBNGTXWDHRB-ZETCQYMHSA-N 0 0 240.690 2.267 50 0 BEAARN CC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000064554687 132389722 /nfs/dbraw/zinc/38/97/22/132389722.db2.gz MZZGYNBKAUUPQX-SECBINFHSA-N 0 0 205.257 2.129 50 0 BEAARN O=C(c1ccco1)N1CCCc2ncccc21 ZINC000065566257 132389990 /nfs/dbraw/zinc/38/99/90/132389990.db2.gz DYFXKTUIEXHEQU-UHFFFAOYSA-N 0 0 228.251 2.268 50 0 BEAARN Cc1cccc2ncnc(N3CCO[C@@H](C)C3)c12 ZINC000072307796 132396174 /nfs/dbraw/zinc/39/61/74/132396174.db2.gz ZEGRFYBXQGLVCU-NSHDSACASA-N 0 0 243.310 2.163 50 0 BEAARN CS(=O)(=O)c1ccccc1N1CCCCC1 ZINC000072990529 132397428 /nfs/dbraw/zinc/39/74/28/132397428.db2.gz GXCWTTDNKQFDRO-UHFFFAOYSA-N 0 0 239.340 2.080 50 0 BEAARN COc1ccccc1OCC(=O)NC1CCCC1 ZINC000014180310 133451013 /nfs/dbraw/zinc/45/10/13/133451013.db2.gz BALOAWVUBDNHKJ-UHFFFAOYSA-N 0 0 249.310 2.133 50 0 BEAARN CCc1ncsc1NC(=O)[C@]1(C)C[C@H]1F ZINC000335102719 133773940 /nfs/dbraw/zinc/77/39/40/133773940.db2.gz IMWYCJSGLXQMNZ-GMSGAONNSA-N 0 0 228.292 2.392 50 0 BEAARN O=C(NC1(C(F)F)CC1)C1CC2(CCC2)C1 ZINC000335457979 133852465 /nfs/dbraw/zinc/85/24/65/133852465.db2.gz WDWNBQIDMKTGSV-UHFFFAOYSA-N 0 0 229.270 2.481 50 0 BEAARN Cc1ccc(C(=O)N2CC(CC(F)F)C2)o1 ZINC000335487890 133864101 /nfs/dbraw/zinc/86/41/01/133864101.db2.gz HZKPDCMBTPHIGR-UHFFFAOYSA-N 0 0 229.226 2.315 50 0 BEAARN Cc1ccc(C(=O)NC2(C(F)F)CC2)o1 ZINC000335920864 134007244 /nfs/dbraw/zinc/00/72/44/134007244.db2.gz UTTNDRRSGQESGA-UHFFFAOYSA-N 0 0 215.199 2.116 50 0 BEAARN CCn1ccnc1CN1CCC[C@](C)(F)C1 ZINC000336215532 134136990 /nfs/dbraw/zinc/13/69/90/134136990.db2.gz UIWPSJXFQRSPPD-LBPRGKRZSA-N 0 0 225.311 2.227 50 0 BEAARN C[C@@H]1CSCCN1Cc1ccncc1F ZINC000336217354 134137301 /nfs/dbraw/zinc/13/73/01/134137301.db2.gz DFHQOPBDLTYFKO-SECBINFHSA-N 0 0 226.320 2.158 50 0 BEAARN Cn1cncc1CNc1c(F)cccc1F ZINC000085168003 134224755 /nfs/dbraw/zinc/22/47/55/134224755.db2.gz PFNJOXFYHMHADM-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN O=C(c1ccoc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170672119 134253089 /nfs/dbraw/zinc/25/30/89/134253089.db2.gz OCNBEQYLFNZQGZ-SNVBAGLBSA-N 0 0 245.282 2.023 50 0 BEAARN O=C(CCn1cccn1)NCCC1=CCCCC1 ZINC000054484255 134388681 /nfs/dbraw/zinc/38/86/81/134388681.db2.gz VXHRBIMVJGIXJZ-UHFFFAOYSA-N 0 0 247.342 2.280 50 0 BEAARN O=C(NC[C@@H]1CCc2ccccc2C1)C(F)F ZINC000408514879 134808747 /nfs/dbraw/zinc/80/87/47/134808747.db2.gz CXBACISPCAXVKF-SECBINFHSA-N 0 0 239.265 2.173 50 0 BEAARN O=C(NCc1ccc[nH]1)c1sccc1F ZINC000334299782 135335874 /nfs/dbraw/zinc/33/58/74/135335874.db2.gz RRMCWPGQKXBUSU-UHFFFAOYSA-N 0 0 224.260 2.145 50 0 BEAARN O=C([O-])CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000263336258 135347211 /nfs/dbraw/zinc/34/72/11/135347211.db2.gz QWRUYAGLZAPFBK-KBPBESRZSA-N 0 0 247.338 2.462 50 0 BEAARN C[C@@H]1C[C@@H](O)CN(c2nccc3occc32)C1 ZINC000335236620 135409662 /nfs/dbraw/zinc/40/96/62/135409662.db2.gz JUMZMFGZHMTMDR-NXEZZACHSA-N 0 0 232.283 2.035 50 0 BEAARN CC(C)NC(=O)NC[C@H]1CCCC1(F)F ZINC000335592940 135417114 /nfs/dbraw/zinc/41/71/14/135417114.db2.gz WYPHOMPTRGTFAO-MRVPVSSYSA-N 0 0 220.263 2.129 50 0 BEAARN CC1CC(NC(=O)N[C@@H]2C=CCCC2)C1 ZINC000089920162 135542393 /nfs/dbraw/zinc/54/23/93/135542393.db2.gz OSVZIJSCUPNIBR-HSOILSAZSA-N 0 0 208.305 2.193 50 0 BEAARN CC(C)C(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000334909403 135839431 /nfs/dbraw/zinc/83/94/31/135839431.db2.gz OBUJOCPJORNMSK-QMMMGPOBSA-N 0 0 205.248 2.146 50 0 BEAARN O=C(NC[C@H]1CC12CC2)N1CCC=C(F)C1 ZINC000334994807 135860447 /nfs/dbraw/zinc/86/04/47/135860447.db2.gz ZMANKVURUDPNKF-SECBINFHSA-N 0 0 224.279 2.055 50 0 BEAARN CCCN(C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000335066590 135882764 /nfs/dbraw/zinc/88/27/64/135882764.db2.gz AUOWZLUPVKQLAR-NXEZZACHSA-N 0 0 201.285 2.383 50 0 BEAARN FC1(F)CCC(Cn2ccnn2)CC1 ZINC000335236478 135969157 /nfs/dbraw/zinc/96/91/57/135969157.db2.gz JCRNEMITXNWAAK-UHFFFAOYSA-N 0 0 201.220 2.104 50 0 BEAARN Cc1ccc(C(=O)N[C@@H]2CC[C@H](F)C2)o1 ZINC000335315730 136024857 /nfs/dbraw/zinc/02/48/57/136024857.db2.gz ITPPWYQGNVEPFM-DTWKUNHWSA-N 0 0 211.236 2.208 50 0 BEAARN O=C(C1CC=CC1)N1CC(CC(F)F)C1 ZINC000335384469 136088651 /nfs/dbraw/zinc/08/86/51/136088651.db2.gz GXEGORZZUDIJLO-UHFFFAOYSA-N 0 0 215.243 2.066 50 0 BEAARN O=C(Nc1ccc(O)cc1)C1(CF)CCC1 ZINC000335551887 136098510 /nfs/dbraw/zinc/09/85/10/136098510.db2.gz WMXXLFHDRZVAEV-UHFFFAOYSA-N 0 0 223.247 2.471 50 0 BEAARN C[C@@H](F)CCNC(=O)N1CC2(C1)CCCC2 ZINC000335576281 136110925 /nfs/dbraw/zinc/11/09/25/136110925.db2.gz NOEDGNCHOOYJPJ-SNVBAGLBSA-N 0 0 228.311 2.320 50 0 BEAARN CCOC[C@H](C)Nc1ccc([S@@](C)=O)cc1 ZINC000097371334 397929577 /nfs/dbraw/zinc/92/95/77/397929577.db2.gz UYUHMSZIWBOKLC-QFYYESIMSA-N 0 0 241.356 2.261 50 0 BEAARN c1nnsc1Oc1cnc2ccccc2n1 ZINC000006943106 397936181 /nfs/dbraw/zinc/93/61/81/397936181.db2.gz HJOKZIVYUAZRIJ-UHFFFAOYSA-N 0 0 230.252 2.274 50 0 BEAARN Cn1ccc2ccn(Cc3ccccc3)c(=O)c21 ZINC000065224692 397941393 /nfs/dbraw/zinc/94/13/93/397941393.db2.gz GJZSTYNYLSMOAE-UHFFFAOYSA-N 0 0 238.290 2.388 50 0 BEAARN O=C(Nc1nnc(-c2ccccc2)o1)C1CC1 ZINC000004330297 397951488 /nfs/dbraw/zinc/95/14/88/397951488.db2.gz MNHRGMBCLFOZKF-UHFFFAOYSA-N 0 0 229.239 2.085 50 0 BEAARN COC(=O)c1cc(Br)c(C=O)s1 ZINC000016698730 397959500 /nfs/dbraw/zinc/95/95/00/397959500.db2.gz ICGKCURLFHIUDC-UHFFFAOYSA-N 0 0 249.085 2.110 50 0 BEAARN CS(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000000029501 397913908 /nfs/dbraw/zinc/91/39/08/397913908.db2.gz GISOIDVHILEZAD-UHFFFAOYSA-N 0 0 240.111 2.365 50 0 BEAARN CS(=O)(=O)Nc1cccc(Cl)c1Cl ZINC000000029500 397914048 /nfs/dbraw/zinc/91/40/48/397914048.db2.gz VVQONXNUJSPBSQ-UHFFFAOYSA-N 0 0 240.111 2.365 50 0 BEAARN Cc1cc(C)cc(NC(=O)c2cnccn2)c1 ZINC000000437747 397915214 /nfs/dbraw/zinc/91/52/14/397915214.db2.gz KFHYHZOYNFDLFP-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN CCCn1c2ccccc2nc1NC(C)=O ZINC000000438239 397915474 /nfs/dbraw/zinc/91/54/74/397915474.db2.gz NAUWLBHTQNFFQI-UHFFFAOYSA-N 0 0 217.272 2.405 50 0 BEAARN CCc1ccccc1C(=O)N1CCC[C@H](O)CC1 ZINC000294233918 398016326 /nfs/dbraw/zinc/01/63/26/398016326.db2.gz AUCIQQLPDHCPEV-ZDUSSCGKSA-N 0 0 247.338 2.236 50 0 BEAARN CCC1(CC)CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000362632353 398017575 /nfs/dbraw/zinc/01/75/75/398017575.db2.gz BENCFWNRADTGSC-GFCCVEGCSA-N 0 0 239.359 2.452 50 0 BEAARN O=C(c1ccccn1)N1Cc2ccccc2C1 ZINC000082278741 398067746 /nfs/dbraw/zinc/06/77/46/398067746.db2.gz YFTUPNGGOPKVAB-UHFFFAOYSA-N 0 0 224.263 2.238 50 0 BEAARN CCCC(=O)NC[C@@H](C)Nc1ccccc1 ZINC000096449974 398079302 /nfs/dbraw/zinc/07/93/02/398079302.db2.gz DIRVTPKZJSISEQ-LLVKDONJSA-N 0 0 220.316 2.403 50 0 BEAARN CCCCOc1ncc(Br)cn1 ZINC000065337460 398083078 /nfs/dbraw/zinc/08/30/78/398083078.db2.gz QSKVKWALGAQJRQ-UHFFFAOYSA-N 0 0 231.093 2.418 50 0 BEAARN Cc1ccc(C(=O)Nc2ccncc2F)cn1 ZINC000095975727 398089339 /nfs/dbraw/zinc/08/93/39/398089339.db2.gz CSXHAZKQLZTSQD-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN OCCC[C@@H]1Nc2ccccc2[C@H]2OCC[C@H]21 ZINC000198699042 398109860 /nfs/dbraw/zinc/10/98/60/398109860.db2.gz FQGNBLGCJWXWPK-FPMFFAJLSA-N 0 0 233.311 2.331 50 0 BEAARN CCSC[C@H](C)N(C)c1nnc(C)s1 ZINC000089275224 398113538 /nfs/dbraw/zinc/11/35/38/398113538.db2.gz JCGMLLLSZNMGEF-ZETCQYMHSA-N 0 0 231.390 2.424 50 0 BEAARN CC(C)NC(=O)c1cccc2cc[nH]c21 ZINC000001742765 167090280 /nfs/dbraw/zinc/09/02/80/167090280.db2.gz JAZHKRJCNNEOMO-UHFFFAOYSA-N 0 0 202.257 2.306 50 0 BEAARN CC(C)OCCC(=O)N[C@H]1CCCC[C@H]1C ZINC000078416547 167202768 /nfs/dbraw/zinc/20/27/68/167202768.db2.gz QBYKYFLKDCEVOF-NEPJUHHUSA-N 0 0 227.348 2.496 50 0 BEAARN CC[C@H]1CN(c2cc(C)nc(C)n2)[C@@H](CC)CO1 ZINC000585090488 487573882 /nfs/dbraw/zinc/57/38/82/487573882.db2.gz UHYJQRWKWORXLO-STQMWFEESA-N 0 0 249.358 2.487 50 0 BEAARN Cc1nnc(Cn2cc(C3CCCCC3)nn2)o1 ZINC000585091469 487576382 /nfs/dbraw/zinc/57/63/82/487576382.db2.gz CWFCGIWLVHTITR-UHFFFAOYSA-N 0 0 247.302 2.066 50 0 BEAARN CC(C)OCCCNc1ccc(Cl)nn1 ZINC000040162890 167225608 /nfs/dbraw/zinc/22/56/08/167225608.db2.gz ZKOYYUVQXXKJFN-UHFFFAOYSA-N 0 0 229.711 2.357 50 0 BEAARN CC(C)Oc1ncccc1NCC1(C)COC1 ZINC000079474003 167314915 /nfs/dbraw/zinc/31/49/15/167314915.db2.gz QECAFJOMQDOYCO-UHFFFAOYSA-N 0 0 236.315 2.317 50 0 BEAARN COc1ccc([C@H](O)c2ccncc2)cc1 ZINC000037464872 409737161 /nfs/dbraw/zinc/73/71/61/409737161.db2.gz QQOIKWVGANPALE-ZDUSSCGKSA-N 0 0 215.252 2.172 50 0 BEAARN COCCc1noc(-c2cccc3cc[nH]c32)n1 ZINC000096435861 409985206 /nfs/dbraw/zinc/98/52/06/409985206.db2.gz YPDILNZZQLNYRC-UHFFFAOYSA-N 0 0 243.266 2.407 50 0 BEAARN Brc1cc(OC2CC2)ccn1 ZINC000095709737 166096509 /nfs/dbraw/zinc/09/65/09/166096509.db2.gz WFEUNZKZNJJOAY-UHFFFAOYSA-N 0 0 214.062 2.385 50 0 BEAARN Brc1ccc(-n2cnnc2)cc1 ZINC000001462903 166097215 /nfs/dbraw/zinc/09/72/15/166097215.db2.gz BNJQMOVSRWLIJZ-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1ccc(-n2nccn2)cc1 ZINC000003204434 166097419 /nfs/dbraw/zinc/09/74/19/166097419.db2.gz DUKDRWHFWAKSGZ-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1ccc(-c2cnco2)nc1 ZINC000084324989 166097834 /nfs/dbraw/zinc/09/78/34/166097834.db2.gz JIFHUVARPDLYOE-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1ccc(OC[C@H]2CO2)cc1 ZINC000002164282 166098583 /nfs/dbraw/zinc/09/85/83/166098583.db2.gz YKUYKENINQNULY-VIFPVBQESA-N 0 0 229.073 2.227 50 0 BEAARN Brc1ccc2cncnc2c1 ZINC000015042943 166099719 /nfs/dbraw/zinc/09/97/19/166099719.db2.gz KMVULHBAEVRKCP-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc([C@H]2COCC[NH2+]2)cc1 ZINC000041286261 166100326 /nfs/dbraw/zinc/10/03/26/166100326.db2.gz FXQWZIVIJAEZCN-SNVBAGLBSA-N 0 0 242.116 2.110 50 0 BEAARN Brc1cccc(NC2CC2)n1 ZINC000038537449 166102032 /nfs/dbraw/zinc/10/20/32/166102032.db2.gz OTNCWXUWAUGKSD-UHFFFAOYSA-N 0 0 213.078 2.418 50 0 BEAARN Brc1cnc(OC2CCC2)cn1 ZINC000035635794 166104332 /nfs/dbraw/zinc/10/43/32/166104332.db2.gz FFXLCAOZFBAASS-UHFFFAOYSA-N 0 0 229.077 2.170 50 0 BEAARN Brc1ccnc(OC2CCC2)n1 ZINC000044117215 166103329 /nfs/dbraw/zinc/10/33/29/166103329.db2.gz HYGQIEPEHIEXPQ-UHFFFAOYSA-N 0 0 229.077 2.170 50 0 BEAARN Brc1cnc(OC2CCC2)nc1 ZINC000072192009 166104447 /nfs/dbraw/zinc/10/44/47/166104447.db2.gz APSFUHNWFXKNDL-UHFFFAOYSA-N 0 0 229.077 2.170 50 0 BEAARN Cc1nnc(=O)[nH]c1Nc1ccc(C(C)C)cc1 ZINC000000114363 410203735 /nfs/dbraw/zinc/20/37/35/410203735.db2.gz SRUWPAISQUBIOQ-UHFFFAOYSA-N 0 0 244.298 2.340 50 0 in-vitro BEAARN O=C(Nc1cnc2c(c1)CCC2)C1CCC1 ZINC000257191870 410264671 /nfs/dbraw/zinc/26/46/71/410264671.db2.gz QBTMBOGRTBPRIC-UHFFFAOYSA-N 0 0 216.284 2.309 50 0 BEAARN Brc1cnn(Cc2ccccn2)c1 ZINC000015042222 166106124 /nfs/dbraw/zinc/10/61/24/166106124.db2.gz MDJPGCQKIHEAOM-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN CCN(CC)C(=O)CSc1nc(C)cs1 ZINC000033603091 169750376 /nfs/dbraw/zinc/75/03/76/169750376.db2.gz YCBYAKVLWUUORF-UHFFFAOYSA-N 0 0 244.385 2.412 50 0 BEAARN CCN(CC)C(=O)[C@@H](C)Oc1ccccc1 ZINC000000030610 169756528 /nfs/dbraw/zinc/75/65/28/169756528.db2.gz NILANMAUVXEMNA-LLVKDONJSA-N 0 0 221.300 2.322 50 0 BEAARN CC(=O)c1ccc(N2CCCC2)cc1O ZINC000072266655 166462377 /nfs/dbraw/zinc/46/23/77/166462377.db2.gz KPIXFVMXHNDLCT-UHFFFAOYSA-N 0 0 205.257 2.195 50 0 BEAARN CC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000000365567 166474689 /nfs/dbraw/zinc/47/46/89/166474689.db2.gz ZXVURGVWNYKVNK-UHFFFAOYSA-N 0 0 205.257 2.484 50 0 BEAARN CC(=O)c1sc(NC(=O)C(C)C)nc1C ZINC000000150318 166492786 /nfs/dbraw/zinc/49/27/86/166492786.db2.gz ANFXSJDPGZAMEP-UHFFFAOYSA-N 0 0 226.301 2.249 50 0 BEAARN CC(C)(C)C(=O)Nc1cc(N)ccc1F ZINC000019736586 166533858 /nfs/dbraw/zinc/53/38/58/166533858.db2.gz YMCMQUDIZFLEEA-UHFFFAOYSA-N 0 0 210.252 2.393 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](F)C(=O)C2 ZINC000095630468 166658734 /nfs/dbraw/zinc/65/87/34/166658734.db2.gz YYCAGVRICFXYHB-WEDXCCLWSA-N 0 0 243.278 2.065 50 0 BEAARN CC(C)(C)OC(=O)Nc1nc2ccccc2[nH]1 ZINC000082457521 166658897 /nfs/dbraw/zinc/65/88/97/166658897.db2.gz JMRLHZJPLGCDSR-UHFFFAOYSA-N 0 0 233.271 2.332 50 0 BEAARN CC(C)(C)OC(=O)Nc1ccc(N)cn1 ZINC000036903965 166670384 /nfs/dbraw/zinc/67/03/84/166670384.db2.gz NHVPESPHUUFULF-UHFFFAOYSA-N 0 0 209.249 2.011 50 0 BEAARN Cc1nc(C2(NCC3CCC3)CCC2)no1 ZINC000120417160 410677287 /nfs/dbraw/zinc/67/72/87/410677287.db2.gz RVYSLDOTLIDCLA-UHFFFAOYSA-N 0 0 221.304 2.147 50 0 BEAARN CC(C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041194522 166762450 /nfs/dbraw/zinc/76/24/50/166762450.db2.gz LVCWKYWVXUOHQZ-RYUDHWBXSA-N 0 0 225.332 2.203 50 0 BEAARN CC(C)CC(=O)n1nc(-c2ccccc2)nc1N ZINC000021804520 166775151 /nfs/dbraw/zinc/77/51/51/166775151.db2.gz RHHDUSOMWNCPAU-UHFFFAOYSA-N 0 0 244.298 2.214 50 0 BEAARN CC[C@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000040067682 410861925 /nfs/dbraw/zinc/86/19/25/410861925.db2.gz TYPOAFXHUMEAEL-ZDUSSCGKSA-N 0 0 248.326 2.007 50 0 BEAARN CC(C)CNC(=O)c1cnn(-c2ccccc2)c1 ZINC000012915894 167000180 /nfs/dbraw/zinc/00/01/80/167000180.db2.gz SDUPLNOOKUSBNE-UHFFFAOYSA-N 0 0 243.310 2.258 50 0 BEAARN CC(C)CNC(=O)c1cn(-c2ccccc2)cn1 ZINC000227116062 167000419 /nfs/dbraw/zinc/00/04/19/167000419.db2.gz SQALIEAQFPMOPV-UHFFFAOYSA-N 0 0 243.310 2.258 50 0 BEAARN CC(C)N1C[C@H](COc2ccccc2)OC1=O ZINC000000050160 167033446 /nfs/dbraw/zinc/03/34/46/167033446.db2.gz MXVRQYRDTPBYJX-GFCCVEGCSA-N 0 0 235.283 2.295 50 0 BEAARN CC(C)NC(=O)CCc1ccccc1F ZINC000047220077 167046006 /nfs/dbraw/zinc/04/60/06/167046006.db2.gz MMISSUNRXKHVBC-UHFFFAOYSA-N 0 0 209.264 2.283 50 0 BEAARN CC(C)NC(=O)CSC1CCCC1 ZINC000041391445 167063382 /nfs/dbraw/zinc/06/33/82/167063382.db2.gz VGQGTRTWIZIVRD-UHFFFAOYSA-N 0 0 201.335 2.187 50 0 BEAARN CC(C)NC(=O)COc1cccc(Cl)c1 ZINC000000094055 167063641 /nfs/dbraw/zinc/06/36/41/167063641.db2.gz PPARYUUFLZPBQS-UHFFFAOYSA-N 0 0 227.691 2.243 50 0 BEAARN CC(C)NC(=O)N(C)Cc1ccccc1 ZINC000000399320 167067445 /nfs/dbraw/zinc/06/74/45/167067445.db2.gz RZSIDMCEWFVTTQ-UHFFFAOYSA-N 0 0 206.289 2.236 50 0 BEAARN CC(C)NC(=O)NCc1ccc(F)cc1 ZINC000012972790 167072888 /nfs/dbraw/zinc/07/28/88/167072888.db2.gz SNUUIODEFPZTOT-UHFFFAOYSA-N 0 0 210.252 2.033 50 0 BEAARN CC(C)NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC000035971972 167084499 /nfs/dbraw/zinc/08/44/99/167084499.db2.gz WODWKBAQGDDFEU-AWEZNQCLSA-N 0 0 246.310 2.094 50 0 BEAARN CC(C)NC(=O)c1ccc(-c2cn[nH]c2)s1 ZINC000032540997 167085645 /nfs/dbraw/zinc/08/56/45/167085645.db2.gz VEQZYNSSLQEXLN-UHFFFAOYSA-N 0 0 235.312 2.276 50 0 BEAARN CC(C)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000015545286 167085651 /nfs/dbraw/zinc/08/56/51/167085651.db2.gz JHMHHPIZJRKRSQ-UHFFFAOYSA-N 0 0 229.283 2.011 50 0 BEAARN CC(C)NC(=O)c1cc2ccccc2n1C ZINC000039204585 167085713 /nfs/dbraw/zinc/08/57/13/167085713.db2.gz RWLJZYPWAYQPQN-UHFFFAOYSA-N 0 0 216.284 2.317 50 0 BEAARN CC(C)NC(=O)c1ccc(N2CCCC2)c(N)c1 ZINC000066442636 167087887 /nfs/dbraw/zinc/08/78/87/167087887.db2.gz LWXWZANFZORNIO-UHFFFAOYSA-N 0 0 247.342 2.007 50 0 BEAARN CC(C)Nc1ccc(F)cc1OCCO ZINC000088525683 167143807 /nfs/dbraw/zinc/14/38/07/167143807.db2.gz JMDPFOTZURNPJY-UHFFFAOYSA-N 0 0 213.252 2.017 50 0 BEAARN CC(C)OC(=O)NC[C@H]1COc2ccccc2C1 ZINC000096152877 167164107 /nfs/dbraw/zinc/16/41/07/167164107.db2.gz RGDDBJQZKFVGFN-NSHDSACASA-N 0 0 249.310 2.372 50 0 BEAARN CC(C)OC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000060598005 167169845 /nfs/dbraw/zinc/16/98/45/167169845.db2.gz LYGDYPMGPREPQR-JTQLQIEISA-N 0 0 241.331 2.023 50 0 BEAARN CC(C)OC(=O)c1c(N)sc2c1CCC2 ZINC000004298952 167171827 /nfs/dbraw/zinc/17/18/27/167171827.db2.gz XZWMTXCBDWFWIP-UHFFFAOYSA-N 0 0 225.313 2.384 50 0 BEAARN CC(C)OC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000135169438 167172067 /nfs/dbraw/zinc/17/20/67/167172067.db2.gz YXALCGCMKDZUOF-UHFFFAOYSA-N 0 0 244.294 2.497 50 0 BEAARN CC(C)OCCCNC(=O)c1cccs1 ZINC000002859196 167220033 /nfs/dbraw/zinc/22/00/33/167220033.db2.gz SJGXSUSTBXFLPR-UHFFFAOYSA-N 0 0 227.329 2.293 50 0 BEAARN CC(C)Oc1ccc(-c2nonc2N)cc1 ZINC000019772650 167287855 /nfs/dbraw/zinc/28/78/55/167287855.db2.gz VRIANLBCFBMUMO-UHFFFAOYSA-N 0 0 219.244 2.106 50 0 BEAARN CC(C)SCC(=O)N(C)C[C@H]1CCCCO1 ZINC000071479381 167321047 /nfs/dbraw/zinc/32/10/47/167321047.db2.gz VMSGBFWNCAYJSN-LLVKDONJSA-N 0 0 245.388 2.156 50 0 BEAARN CC(C)Sc1nnc(-c2ccccc2)n1N ZINC000001393167 167338093 /nfs/dbraw/zinc/33/80/93/167338093.db2.gz OBNPFNIABZIFCB-UHFFFAOYSA-N 0 0 234.328 2.159 50 0 BEAARN CC(C)Sc1nc2ccccc2n1CC(N)=O ZINC000000107847 167338284 /nfs/dbraw/zinc/33/82/84/167338284.db2.gz IDHKKVPUYYYKHU-UHFFFAOYSA-N 0 0 249.339 2.022 50 0 BEAARN CC(C)Sc1ncccc1C(=O)N(C)C ZINC000058377545 167339189 /nfs/dbraw/zinc/33/91/89/167339189.db2.gz NVTIALHDCUPYEV-UHFFFAOYSA-N 0 0 224.329 2.284 50 0 BEAARN CC(C)Sc1n[nH]c(=O)n1Cc1ccccc1 ZINC000016801531 167339197 /nfs/dbraw/zinc/33/91/97/167339197.db2.gz DZJPKCWQAGKEHD-UHFFFAOYSA-N 0 0 249.339 2.120 50 0 BEAARN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000011801223 167344737 /nfs/dbraw/zinc/34/47/37/167344737.db2.gz FKHOVIRCWJBQHY-ZDUSSCGKSA-N 0 0 233.311 2.154 50 0 BEAARN CC(C)[C@@H](C)NC(=O)Nc1nccs1 ZINC000042737862 167377008 /nfs/dbraw/zinc/37/70/08/167377008.db2.gz HRZSJBUKCUSLNU-SSDOTTSWSA-N 0 0 213.306 2.309 50 0 BEAARN CC/C=C\C(=O)N1CCn2cccc2[C@H]1C ZINC000104120117 410923805 /nfs/dbraw/zinc/92/38/05/410923805.db2.gz JUYYXRALIRHGCY-MEQVVJDKSA-N 0 0 218.300 2.358 50 0 BEAARN CCN(CC)Cc1nnc(C(C)(C)C)o1 ZINC000046837954 411083721 /nfs/dbraw/zinc/08/37/21/411083721.db2.gz FAMALBWTRBSOKK-UHFFFAOYSA-N 0 0 211.309 2.209 50 0 BEAARN CC(C)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000000302607 167604982 /nfs/dbraw/zinc/60/49/82/167604982.db2.gz PKMPTGGICUDYDI-GFCCVEGCSA-N 0 0 246.310 2.027 50 0 BEAARN CCONC(=O)c1ccc(-n2cccc2)cc1 ZINC000044893227 411141835 /nfs/dbraw/zinc/14/18/35/411141835.db2.gz NGFCENNCLUYCOW-UHFFFAOYSA-N 0 0 230.267 2.159 50 0 BEAARN Cc1csc(CNC(=O)Nc2ccccn2)n1 ZINC000044967480 411142681 /nfs/dbraw/zinc/14/26/81/411142681.db2.gz XKMCZFYUKHLYQY-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN Cc1cccnc1NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000046974229 411097485 /nfs/dbraw/zinc/09/74/85/411097485.db2.gz NWUAMSWXXBPYIS-MNOVXSKESA-N 0 0 249.314 2.079 50 0 BEAARN CCN(CC)c1ccc(NC(=O)N(C)C)cn1 ZINC000048173277 411177596 /nfs/dbraw/zinc/17/75/96/411177596.db2.gz DVICVFDVQHUOCZ-UHFFFAOYSA-N 0 0 236.319 2.021 50 0 BEAARN CC(C)n1cc(NC(=O)c2ccco2)cn1 ZINC000001428558 167755240 /nfs/dbraw/zinc/75/52/40/167755240.db2.gz OJSJNECAEKOIJO-UHFFFAOYSA-N 0 0 219.244 2.309 50 0 BEAARN CCCCC(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000048340617 411189464 /nfs/dbraw/zinc/18/94/64/411189464.db2.gz IYJLHMMAPKMJMK-UHFFFAOYSA-N 0 0 246.314 2.405 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000048331671 411189884 /nfs/dbraw/zinc/18/98/84/411189884.db2.gz VZCHIDUJWUEHCE-PWSUYJOCSA-N 0 0 241.294 2.467 50 0 BEAARN CC(C)NC(=S)N[C@@H](C)c1ccccn1 ZINC000047807688 411166528 /nfs/dbraw/zinc/16/65/28/411166528.db2.gz YKQWYTRRHZDUPU-VIFPVBQESA-N 0 0 223.345 2.015 50 0 BEAARN C/C(=C/c1cn(C2CCC2)nn1)c1cnccn1 ZINC000656612765 411311376 /nfs/dbraw/zinc/31/13/76/411311376.db2.gz MQLPIUHBPUSTGR-YFHOEESVSA-N 0 0 241.298 2.354 50 0 BEAARN C/C(=C\c1cn(C2CCC2)nn1)c1cnccn1 ZINC000656612764 411311707 /nfs/dbraw/zinc/31/17/07/411311707.db2.gz MQLPIUHBPUSTGR-JXMROGBWSA-N 0 0 241.298 2.354 50 0 BEAARN CC1(C)[C@H](Nc2nc(C3CC3)no2)[C@H]2CCO[C@H]21 ZINC000230088176 168005787 /nfs/dbraw/zinc/00/57/87/168005787.db2.gz OMPZXOQPZZIHMZ-OPRDCNLKSA-N 0 0 249.314 2.172 50 0 BEAARN CC1(C)[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000089917691 168012932 /nfs/dbraw/zinc/01/29/32/168012932.db2.gz PQLRXIXGSUDQKA-DTORHVGOSA-N 0 0 205.257 2.008 50 0 BEAARN Cc1nc[nH]c1C(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000071715370 168119925 /nfs/dbraw/zinc/11/99/25/168119925.db2.gz GPGDEMPOAHXRGW-NEPJUHHUSA-N 0 0 245.326 2.146 50 0 BEAARN CC1=C[C@H](c2ccccc2)n2nnnc2N1 ZINC000017953303 168131759 /nfs/dbraw/zinc/13/17/59/168131759.db2.gz IDMQIZDTPHMAHG-SNVBAGLBSA-N 0 0 213.244 2.189 50 0 BEAARN CC1=NO[C@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC000064555791 168136531 /nfs/dbraw/zinc/13/65/31/168136531.db2.gz OFSZLSGVEUKYHA-LBPRGKRZSA-N 0 0 246.310 2.198 50 0 BEAARN CC1CCC(N(C)C(=O)[C@H]2CCCO2)CC1 ZINC000032819182 168157789 /nfs/dbraw/zinc/15/77/89/168157789.db2.gz NDNNRWKQKJOMIP-HTAVTVPLSA-N 0 0 225.332 2.203 50 0 BEAARN CC1CCC(NC(=O)n2ccnc2)CC1 ZINC000032628555 168163346 /nfs/dbraw/zinc/16/33/46/168163346.db2.gz TVODXQSDXHVHAN-UHFFFAOYSA-N 0 0 207.277 2.020 50 0 BEAARN CC1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000040506066 168170585 /nfs/dbraw/zinc/17/05/85/168170585.db2.gz KATJHCVHUSMQPX-LBPRGKRZSA-N 0 0 225.332 2.204 50 0 BEAARN CC1CCN(C(=O)NC2CCCC2)CC1 ZINC000013328399 168173517 /nfs/dbraw/zinc/17/35/17/168173517.db2.gz LVOPMGDDYCFTKJ-UHFFFAOYSA-N 0 0 210.321 2.371 50 0 BEAARN CCC(=O)N1CCC[C@H]1c1cccn1C ZINC000040473075 168219767 /nfs/dbraw/zinc/21/97/67/168219767.db2.gz DZPCKDYNQGWKCN-NSHDSACASA-N 0 0 206.289 2.099 50 0 BEAARN CCC(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000000317413 168231044 /nfs/dbraw/zinc/23/10/44/168231044.db2.gz VXGNHTKZJOTYNZ-UHFFFAOYSA-N 0 0 246.310 2.245 50 0 biogenic BEAARN CCC(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000032565340 168233017 /nfs/dbraw/zinc/23/30/17/168233017.db2.gz OJFOZLFNMGVDSE-UHFFFAOYSA-N 0 0 243.310 2.113 50 0 BEAARN CCC(=O)NCc1nc(-c2ccccc2C)no1 ZINC000004998417 168234649 /nfs/dbraw/zinc/23/46/49/168234649.db2.gz OMBOBLDZASOFOJ-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CCC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000006730726 168239423 /nfs/dbraw/zinc/23/94/23/168239423.db2.gz ZQNPWUFSVXXMFD-SECBINFHSA-N 0 0 207.273 2.282 50 0 BEAARN CCC(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000065585971 168242435 /nfs/dbraw/zinc/24/24/35/168242435.db2.gz JQLPIDAJHVQNEB-UHFFFAOYSA-N 0 0 233.246 2.360 50 0 BEAARN CCC(=O)Nc1cc(C(F)(F)F)cnc1OC ZINC000000078173 168242859 /nfs/dbraw/zinc/24/28/59/168242859.db2.gz OLWMEVJOWCPYJE-UHFFFAOYSA-N 0 0 248.204 2.458 50 0 BEAARN CCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000005500991 168245493 /nfs/dbraw/zinc/24/54/93/168245493.db2.gz RNZCEHOFHBEXNB-UHFFFAOYSA-N 0 0 231.251 2.450 50 0 BEAARN CCC(=O)Nc1cccc(NC(=O)CC)c1 ZINC000005307402 168245808 /nfs/dbraw/zinc/24/58/08/168245808.db2.gz SAPYGANFQDGJRX-UHFFFAOYSA-N 0 0 220.272 2.384 50 0 BEAARN CCC(=O)Nc1ccccc1CN(C)C(C)=O ZINC000024703743 168246840 /nfs/dbraw/zinc/24/68/40/168246840.db2.gz YDEQRKNSIOPJJJ-UHFFFAOYSA-N 0 0 234.299 2.013 50 0 BEAARN CCC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000014009126 168247304 /nfs/dbraw/zinc/24/73/04/168247304.db2.gz XIVWQYRRHAPXMA-UHFFFAOYSA-N 0 0 234.299 2.173 50 0 BEAARN CCC(=O)Nc1nnc(-c2ccco2)s1 ZINC000017209476 168248216 /nfs/dbraw/zinc/24/82/16/168248216.db2.gz UWQWGKRHGVAARC-UHFFFAOYSA-N 0 0 223.257 2.147 50 0 BEAARN CCC(=O)c1c[nH]c(C(=O)N[C@H](C)CC)c1 ZINC000005655244 168254407 /nfs/dbraw/zinc/25/44/07/168254407.db2.gz OYOFWWKEWNQSQO-MRVPVSSYSA-N 0 0 222.288 2.136 50 0 BEAARN CCC(=O)c1ccc(-n2cccn2)cc1 ZINC000038350748 168254665 /nfs/dbraw/zinc/25/46/65/168254665.db2.gz UNOPAXZCGUOULN-UHFFFAOYSA-N 0 0 200.241 2.465 50 0 BEAARN CCC(C)(C)NC(=O)[C@H]1COc2ccccc2O1 ZINC000032666449 168296171 /nfs/dbraw/zinc/29/61/71/168296171.db2.gz QFXHKHFSLNJSBD-GFCCVEGCSA-N 0 0 249.310 2.131 50 0 BEAARN CCC(C)(C)NC(=O)c1cc(C(C)=O)cn1C ZINC000012886370 168296195 /nfs/dbraw/zinc/29/61/95/168296195.db2.gz HNMKPXNKYQZGMA-UHFFFAOYSA-N 0 0 236.315 2.146 50 0 BEAARN CCC(C)(C)NC(=O)c1ccc(OC)nc1 ZINC000012889926 168296362 /nfs/dbraw/zinc/29/63/62/168296362.db2.gz NYDUDIOMSWGPHR-UHFFFAOYSA-N 0 0 222.288 2.009 50 0 BEAARN CCC(C)(C)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000012988472 168296434 /nfs/dbraw/zinc/29/64/34/168296434.db2.gz DBBIYBAJZRFYHC-GFCCVEGCSA-N 0 0 233.311 2.295 50 0 BEAARN CCC(C)(C)NC(=O)c1ccc(N(C)C)nc1 ZINC000032335825 168297037 /nfs/dbraw/zinc/29/70/37/168297037.db2.gz GIDXXGCZKHSNIN-UHFFFAOYSA-N 0 0 235.331 2.066 50 0 BEAARN O=C(NC1N=NC(=S)S1)c1ccccc1 ZINC000004072051 411498691 /nfs/dbraw/zinc/49/86/91/411498691.db2.gz AUMOOOLWZQSMNH-UHFFFAOYSA-N 0 0 237.309 2.079 50 0 BEAARN CCNC(=O)CNc1cccc(Cl)c1C ZINC000009217425 170066540 /nfs/dbraw/zinc/06/65/40/170066540.db2.gz GLKIXQMAWMLXNJ-UHFFFAOYSA-N 0 0 226.707 2.196 50 0 BEAARN CCNC(=O)Cc1c(F)cccc1Cl ZINC000000367292 170070227 /nfs/dbraw/zinc/07/02/27/170070227.db2.gz NVGFLJQKFNEXGF-UHFFFAOYSA-N 0 0 215.655 2.158 50 0 BEAARN CCNC(=O)Cc1cccc(Br)c1 ZINC000069606119 170071108 /nfs/dbraw/zinc/07/11/08/170071108.db2.gz YLCXFFXUHZGVJJ-UHFFFAOYSA-N 0 0 242.116 2.128 50 0 BEAARN CCNC(=O)Cc1ccc(Cl)cc1F ZINC000072437750 170071201 /nfs/dbraw/zinc/07/12/01/170071201.db2.gz MQZNIKHUOWIVJK-UHFFFAOYSA-N 0 0 215.655 2.158 50 0 BEAARN CCNC(=O)N1CCCC[C@@H](SCC)C1 ZINC000071899723 170072556 /nfs/dbraw/zinc/07/25/56/170072556.db2.gz YRHFEQWKGICFIO-SNVBAGLBSA-N 0 0 230.377 2.324 50 0 BEAARN CCNC(=O)NCc1cccc(Cl)c1 ZINC000000001640 170081549 /nfs/dbraw/zinc/08/15/49/170081549.db2.gz ATMWYLVZVAXVDZ-UHFFFAOYSA-N 0 0 212.680 2.159 50 0 in-man BEAARN CCNC(=O)[C@H](C)Nc1ccc(C)cc1C ZINC000009379278 170096552 /nfs/dbraw/zinc/09/65/52/170096552.db2.gz QXCXEGYNKFMVKP-NSHDSACASA-N 0 0 220.316 2.240 50 0 BEAARN CCNC(=O)c1ccc(Br)c(F)c1 ZINC000043578619 170101045 /nfs/dbraw/zinc/10/10/45/170101045.db2.gz RANSMOUZDHCGGN-UHFFFAOYSA-N 0 0 246.079 2.338 50 0 BEAARN CCNC(=O)c1ccc(OCC)c(OCC)c1 ZINC000000503992 170102592 /nfs/dbraw/zinc/10/25/92/170102592.db2.gz LAULWWCBQMLHIN-UHFFFAOYSA-N 0 0 237.299 2.234 50 0 BEAARN CCNC(=O)c1ccc(OCC(C)C)cc1 ZINC000004841837 170102949 /nfs/dbraw/zinc/10/29/49/170102949.db2.gz KSCIMPNAYCOYMV-UHFFFAOYSA-N 0 0 221.300 2.471 50 0 BEAARN CCNC(=O)c1oc2ccccc2c1COC ZINC000009219246 170105016 /nfs/dbraw/zinc/10/50/16/170105016.db2.gz QSIBBKOBFQOSGG-UHFFFAOYSA-N 0 0 233.267 2.329 50 0 BEAARN CCNC(=O)c1nnsc1-c1ccc(C)cc1 ZINC000072240048 170105058 /nfs/dbraw/zinc/10/50/58/170105058.db2.gz KIIVVILLDBLXBO-UHFFFAOYSA-N 0 0 247.323 2.263 50 0 BEAARN CCNC(=S)Nc1c(F)cccc1F ZINC000003251833 170106680 /nfs/dbraw/zinc/10/66/80/170106680.db2.gz MRPQMLBDFNHTJZ-UHFFFAOYSA-N 0 0 216.256 2.271 50 0 BEAARN CCNC(=O)c1ncoc1-c1ccccc1 ZINC000069529447 170105508 /nfs/dbraw/zinc/10/55/08/170105508.db2.gz FAPUXCZDYQHNDN-UHFFFAOYSA-N 0 0 216.240 2.091 50 0 BEAARN CCNC(=S)Nc1ccc(O)cc1C ZINC000016958047 170106155 /nfs/dbraw/zinc/10/61/55/170106155.db2.gz YIFMLFHEXPUZRT-UHFFFAOYSA-N 0 0 210.302 2.007 50 0 BEAARN CCNC(=S)Nc1cccc(C(C)=O)c1 ZINC000002164259 170106414 /nfs/dbraw/zinc/10/64/14/170106414.db2.gz OTZJDYMNAYJZNL-UHFFFAOYSA-N 0 0 222.313 2.196 50 0 BEAARN CCNc1nc(-c2ccc(OC)cc2)no1 ZINC000021922374 170175062 /nfs/dbraw/zinc/17/50/62/170175062.db2.gz BWZVBKSBJQXKOK-UHFFFAOYSA-N 0 0 219.244 2.177 50 0 BEAARN CCO/C=C1\c2ccccc2N(CC)C1=O ZINC000004338785 170179681 /nfs/dbraw/zinc/17/96/81/170179681.db2.gz RTZIWVNYSWFJKW-PKNBQFBNSA-N 0 0 217.268 2.431 50 0 BEAARN CCOC(=O)C=C(C)Nc1ccccc1O ZINC000000402559 170182821 /nfs/dbraw/zinc/18/28/21/170182821.db2.gz NGVUBGJAQSKJGQ-CMDGGOBGSA-N 0 0 221.256 2.271 50 0 BEAARN CCOC(=O)/C=C/c1ccccc1C=O ZINC000002511439 170183090 /nfs/dbraw/zinc/18/30/90/170183090.db2.gz YTQRPRCIESSITI-BQYQJAHWSA-N 0 0 204.225 2.075 50 0 BEAARN CCOC(=O)C(=O)c1ccc(C)cc1C ZINC000039429698 170184870 /nfs/dbraw/zinc/18/48/70/170184870.db2.gz FMYSICOONSJFBX-UHFFFAOYSA-N 0 0 206.241 2.049 50 0 BEAARN CCOC(=O)C(=O)c1cccc(Cl)c1 ZINC000002245432 170185036 /nfs/dbraw/zinc/18/50/36/170185036.db2.gz AORWOAPLLYVOEU-UHFFFAOYSA-N 0 0 212.632 2.086 50 0 BEAARN CCOC(=O)C(=O)c1nc2ccccc2s1 ZINC000072194359 170185655 /nfs/dbraw/zinc/18/56/55/170185655.db2.gz XWOIZBDKZDPDQY-UHFFFAOYSA-N 0 0 235.264 2.042 50 0 BEAARN CCOC(=O)C(F)(F)c1ncccc1C ZINC000040448011 170188557 /nfs/dbraw/zinc/18/85/57/170188557.db2.gz ZWAAEMKHDYQJCM-UHFFFAOYSA-N 0 0 215.199 2.045 50 0 BEAARN CCOC(=O)C1=C(N)S[C@H]2CCCC[C@@H]12 ZINC000019626559 170191286 /nfs/dbraw/zinc/19/12/86/170191286.db2.gz MHLOZPWQZPKMGT-SFYZADRCSA-N 0 0 227.329 2.025 50 0 BEAARN CCOC(=O)CC1(CNC(C)=O)CCCCC1 ZINC000095443731 170198277 /nfs/dbraw/zinc/19/82/77/170198277.db2.gz HKMIYLKKESAMNU-UHFFFAOYSA-N 0 0 241.331 2.026 50 0 BEAARN CCOC(=O)CCC(=O)c1ccsc1 ZINC000043210317 170198498 /nfs/dbraw/zinc/19/84/98/170198498.db2.gz UJOHAAXPWQOPDT-UHFFFAOYSA-N 0 0 212.270 2.274 50 0 BEAARN CCOC(=O)CCC(=O)c1ccc(F)cc1 ZINC000002378825 170198811 /nfs/dbraw/zinc/19/88/11/170198811.db2.gz RCIGNAZAPKOTIY-UHFFFAOYSA-N 0 0 224.231 2.352 50 0 BEAARN CCOC(=O)CCC(=O)c1ccc(OC)cc1 ZINC000002077839 170198900 /nfs/dbraw/zinc/19/89/00/170198900.db2.gz FYUAOZFEVHSJTO-UHFFFAOYSA-N 0 0 236.267 2.221 50 0 BEAARN CCOC(=O)CCSCc1ccco1 ZINC000002169190 170210895 /nfs/dbraw/zinc/21/08/95/170210895.db2.gz ZKCVVCLCYIXCOD-UHFFFAOYSA-N 0 0 214.286 2.466 50 0 endogenous,in-man BEAARN CCOC(=O)CCn1ccccc1=S ZINC000000055270 170212088 /nfs/dbraw/zinc/21/20/88/170212088.db2.gz LSPWOUFRBXEXLM-UHFFFAOYSA-N 0 0 211.286 2.171 50 0 BEAARN CCOC(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000050266842 170221551 /nfs/dbraw/zinc/22/15/51/170221551.db2.gz DVJWCHSKTBDJOO-ZDUSSCGKSA-N 0 0 233.311 2.039 50 0 BEAARN CCOC(=O)CSc1ccc(O)cc1 ZINC000012859955 170230010 /nfs/dbraw/zinc/23/00/10/170230010.db2.gz ONYPOOPLTKMOLC-UHFFFAOYSA-N 0 0 212.270 2.047 50 0 BEAARN CCOC(=O)Cc1cc(C)cc(F)c1F ZINC000259992639 170234892 /nfs/dbraw/zinc/23/48/92/170234892.db2.gz DJUZJVZLQNMNEB-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1c(Cl)nc(C)nc1Cl ZINC000040435273 170234933 /nfs/dbraw/zinc/23/49/33/170234933.db2.gz CMHXVEKUGZXPMB-UHFFFAOYSA-N 0 0 249.097 2.197 50 0 BEAARN CCOC(=O)Cc1cc2ccccc2[nH]1 ZINC000022001082 170235275 /nfs/dbraw/zinc/23/52/75/170235275.db2.gz FODUBFGFNKKYPU-UHFFFAOYSA-N 0 0 203.241 2.274 50 0 BEAARN CCOC(=O)Cc1[nH]nc2ccc(Cl)cc21 ZINC000002516298 170235963 /nfs/dbraw/zinc/23/59/63/170235963.db2.gz GLPZEHFBLBYFHN-UHFFFAOYSA-N 0 0 238.674 2.322 50 0 in-vitro BEAARN CCOC(=O)Cc1csc(-c2ccccn2)n1 ZINC000005010992 170236039 /nfs/dbraw/zinc/23/60/39/170236039.db2.gz UJBZSOBEPDZRPC-UHFFFAOYSA-N 0 0 248.307 2.311 50 0 BEAARN CCOC(=O)Cc1csc(-c2cccnc2)n1 ZINC000004299241 170236175 /nfs/dbraw/zinc/23/61/75/170236175.db2.gz JGRCACXOIKCVIX-UHFFFAOYSA-N 0 0 248.307 2.311 50 0 BEAARN CCOC(=O)Cc1ccc(OC)c(F)c1F ZINC000259796926 170236421 /nfs/dbraw/zinc/23/64/21/170236421.db2.gz AELAGOGLZMLHOG-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cn1c2ccccc2nc1C1CC1 ZINC000039644442 170237007 /nfs/dbraw/zinc/23/70/07/170237007.db2.gz IRZZGZAPGVCIEB-UHFFFAOYSA-N 0 0 244.294 2.477 50 0 BEAARN CCOC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000015859033 170241068 /nfs/dbraw/zinc/24/10/68/170241068.db2.gz UAYLFEDQTYHRNC-SECBINFHSA-N 0 0 248.282 2.380 50 0 BEAARN CCOC(=O)Nc1sc(C)c(C)c1C(N)=O ZINC000000475060 170244314 /nfs/dbraw/zinc/24/43/14/170244314.db2.gz GADAAZZNAYPSEZ-UHFFFAOYSA-N 0 0 242.300 2.032 50 0 BEAARN CCOC(=O)[C@@H](CC)Oc1ccccc1C=O ZINC000000169560 170250938 /nfs/dbraw/zinc/25/09/38/170250938.db2.gz RFGGSVBDPHSMCU-LLVKDONJSA-N 0 0 236.267 2.220 50 0 BEAARN CCOC(=O)[C@@H]1CC(=S)Nc2ccccc21 ZINC000065336797 170257245 /nfs/dbraw/zinc/25/72/45/170257245.db2.gz MBUHKOCHFHPXJK-SECBINFHSA-N 0 0 235.308 2.476 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@H](c2ccsc2)N1 ZINC000098072890 170259868 /nfs/dbraw/zinc/25/98/68/170259868.db2.gz LRDCRUIGTYLONY-DTWKUNHWSA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)[C@H]1CS[C@@H](C(CC)CC)N1 ZINC000098072911 170282307 /nfs/dbraw/zinc/28/23/07/170282307.db2.gz YZFDGJYGTWXSHY-ZJUUUORDSA-N 0 0 231.361 2.017 50 0 BEAARN CCOC(=O)c1c(C)[nH]sc1=S ZINC000100102677 170287814 /nfs/dbraw/zinc/28/78/14/170287814.db2.gz MVTVNNIFOTYHJA-UHFFFAOYSA-N 0 0 203.288 2.291 50 0 BEAARN CCOC(=O)c1c(Cl)cccc1C=O ZINC000044138095 170288334 /nfs/dbraw/zinc/28/83/34/170288334.db2.gz WREPGMMEKDOQIQ-UHFFFAOYSA-N 0 0 212.632 2.329 50 0 BEAARN CCOC(=O)c1c(C)nc2c(C)cccn21 ZINC000001496896 170288447 /nfs/dbraw/zinc/28/84/47/170288447.db2.gz LALYREKEVNEKCM-UHFFFAOYSA-N 0 0 218.256 2.128 50 0 BEAARN CCOC(=O)c1c(N)sc2c1CCCC2=O ZINC000003683330 170288960 /nfs/dbraw/zinc/28/89/60/170288960.db2.gz KHNVFGZAADIYSH-UHFFFAOYSA-N 0 0 239.296 2.026 50 0 BEAARN CCOC(=O)c1cc(-c2cccs2)nn1C ZINC000005177762 170290901 /nfs/dbraw/zinc/29/09/01/170290901.db2.gz MUIUODSZPZJMMP-UHFFFAOYSA-N 0 0 236.296 2.325 50 0 BEAARN CCOC(=O)c1cc(C2CCCC2)[nH]n1 ZINC000072233324 170291263 /nfs/dbraw/zinc/29/12/63/170291263.db2.gz KVDQYBGNOOJTEM-UHFFFAOYSA-N 0 0 208.261 2.244 50 0 BEAARN CCOC(=O)c1ccc(C(=O)C2CC2)cc1 ZINC000002514271 170295210 /nfs/dbraw/zinc/29/52/10/170295210.db2.gz XSMZWMTZXKUJKE-UHFFFAOYSA-N 0 0 218.252 2.456 50 0 BEAARN CCOC(=O)c1ccc(C(F)(F)F)cc1N ZINC000047202628 170295659 /nfs/dbraw/zinc/29/56/59/170295659.db2.gz RJKBQTRDYFUQQY-UHFFFAOYSA-N 0 0 233.189 2.464 50 0 BEAARN CCOC(=O)c1ccc(Cl)c(O)c1 ZINC000095704706 170296105 /nfs/dbraw/zinc/29/61/05/170296105.db2.gz PFISJNBRAOSYPV-UHFFFAOYSA-N 0 0 200.621 2.222 50 0 BEAARN CCOC(=O)c1ccc(NC(C)=O)c(C)c1 ZINC000010446122 170296326 /nfs/dbraw/zinc/29/63/26/170296326.db2.gz ODRHBJBOTROMMG-UHFFFAOYSA-N 0 0 221.256 2.130 50 0 BEAARN CCOC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC000095642855 170296504 /nfs/dbraw/zinc/29/65/04/170296504.db2.gz SRDSPOINRBCMRD-UHFFFAOYSA-N 0 0 249.188 2.344 50 0 BEAARN CCOC(=O)c1ccc2c(c1O)CCCC2 ZINC000260332056 170297521 /nfs/dbraw/zinc/29/75/21/170297521.db2.gz ZBNNNCFFHCWBLL-UHFFFAOYSA-N 0 0 220.268 2.448 50 0 BEAARN CCOC(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000044029770 170298324 /nfs/dbraw/zinc/29/83/24/170298324.db2.gz LVIQNMQUZOMYAX-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1cccc(C(=O)OCC)c1 ZINC000001767954 170298330 /nfs/dbraw/zinc/29/83/30/170298330.db2.gz JLVWYWVLMFVCDI-UHFFFAOYSA-N 0 0 222.240 2.040 50 0 BEAARN CCOC(=O)c1cccc2c1ccn2C ZINC000059080802 170299582 /nfs/dbraw/zinc/29/95/82/170299582.db2.gz MSYUHUDANJNARI-UHFFFAOYSA-N 0 0 203.241 2.355 50 0 BEAARN CCOC(=O)c1ccncc1C(F)(F)F ZINC000047202982 170300786 /nfs/dbraw/zinc/30/07/86/170300786.db2.gz PVMGRLWHLHKHPZ-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1cnc(-c2ccccc2)nc1 ZINC000038953297 170301937 /nfs/dbraw/zinc/30/19/37/170301937.db2.gz ADXNMWBLJLAMNG-UHFFFAOYSA-N 0 0 228.251 2.320 50 0 BEAARN CCOC(=O)c1cnc2cccc(O)c2c1 ZINC000059870938 170302889 /nfs/dbraw/zinc/30/28/89/170302889.db2.gz FQICAMFONSQQAM-UHFFFAOYSA-N 0 0 217.224 2.117 50 0 BEAARN CCOC(=O)c1nc(-c2ccccc2)oc1N ZINC000079006513 170305983 /nfs/dbraw/zinc/30/59/83/170305983.db2.gz CVCNAHPOWFVTKQ-UHFFFAOYSA-N 0 0 232.239 2.101 50 0 BEAARN CCOC(=O)c1nc2ccc(O)cc2s1 ZINC000034572928 170308390 /nfs/dbraw/zinc/30/83/90/170308390.db2.gz NKWMUUYSJMDDID-UHFFFAOYSA-N 0 0 223.253 2.179 50 0 BEAARN CCOC(=O)c1nccn1Cc1cccc(C)c1 ZINC000032918992 170309100 /nfs/dbraw/zinc/30/91/00/170309100.db2.gz LDUIAKMLJOYDHI-UHFFFAOYSA-N 0 0 244.294 2.417 50 0 BEAARN CCOC(=O)c1noc(-c2ccc(C)cc2)n1 ZINC000043179011 170309688 /nfs/dbraw/zinc/30/96/88/170309688.db2.gz DQFKPTDDJPQNPY-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(CCc1ccccn1)OCC ZINC000044124619 170314743 /nfs/dbraw/zinc/31/47/43/170314743.db2.gz MSEUNJDDHJYXHU-UHFFFAOYSA-N 0 0 209.289 2.413 50 0 BEAARN CCOCC(=O)N(CC)C1CCCCC1 ZINC000002734440 170338597 /nfs/dbraw/zinc/33/85/97/170338597.db2.gz GXWMKSQMQYHBSH-UHFFFAOYSA-N 0 0 213.321 2.204 50 0 BEAARN CCOCC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000038566852 170341586 /nfs/dbraw/zinc/34/15/86/170341586.db2.gz DMGOCYZULVGJTN-ZDUSSCGKSA-N 0 0 233.311 2.039 50 0 BEAARN CCOCC(=O)Nc1ccc(OCC)cc1 ZINC000002069466 170349656 /nfs/dbraw/zinc/34/96/56/170349656.db2.gz TZWWCAYMGKJHFH-UHFFFAOYSA-N 0 0 223.272 2.060 50 0 BEAARN CCOCC(=O)Nc1ccccc1CC ZINC000002069474 170349670 /nfs/dbraw/zinc/34/96/70/170349670.db2.gz NGUIVUIDYXZNQZ-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN CCOCCCNC(=O)c1cccc(Cl)c1 ZINC000002819341 170379498 /nfs/dbraw/zinc/37/94/98/170379498.db2.gz DLPVAIVPFZZHBI-UHFFFAOYSA-N 0 0 241.718 2.496 50 0 BEAARN CCO[C@H](C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000058210410 170500317 /nfs/dbraw/zinc/50/03/17/170500317.db2.gz YGRYHWRVYWFUJN-QWHCGFSZSA-N 0 0 249.354 2.467 50 0 BEAARN CCOc1c(Cl)cc(C(=O)NC)cc1OC ZINC000006155237 170514324 /nfs/dbraw/zinc/51/43/24/170514324.db2.gz WRERQZCDWODHTG-UHFFFAOYSA-N 0 0 243.690 2.107 50 0 BEAARN CCOc1ccc(NCCC(=O)OC)cc1 ZINC000004834476 170552700 /nfs/dbraw/zinc/55/27/00/170552700.db2.gz VERVITFCIODGDD-UHFFFAOYSA-N 0 0 223.272 2.060 50 0 BEAARN CCOc1ccc([C@H](O)c2nccn2CC)cc1 ZINC000000237746 170563906 /nfs/dbraw/zinc/56/39/06/170563906.db2.gz VSJXGEYZWIUAJL-ZDUSSCGKSA-N 0 0 246.310 2.383 50 0 BEAARN CCOc1cccc(NC(=O)CC(C)=O)c1 ZINC000004499593 170580556 /nfs/dbraw/zinc/58/05/56/170580556.db2.gz FSGHHCNHNJYYHE-UHFFFAOYSA-N 0 0 221.256 2.003 50 0 BEAARN CCOc1ncccc1NC(=O)c1ccoc1 ZINC000027580966 170605571 /nfs/dbraw/zinc/60/55/71/170605571.db2.gz DUQQJNZJLRUBBE-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN CCS(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000013939642 170620105 /nfs/dbraw/zinc/62/01/05/170620105.db2.gz NCZRUPLOQLHCTN-LBPRGKRZSA-N 0 0 239.340 2.003 50 0 BEAARN CCS(=O)(=O)Nc1cc(Cl)ccc1C ZINC000000460656 170621079 /nfs/dbraw/zinc/62/10/79/170621079.db2.gz IFOOEYNSLBUXQP-UHFFFAOYSA-N 0 0 233.720 2.410 50 0 BEAARN CCSCCN1C(=O)c2ccccc2C1=O ZINC000071992848 170632040 /nfs/dbraw/zinc/63/20/40/170632040.db2.gz MOLMAIYYXCYJMG-UHFFFAOYSA-N 0 0 235.308 2.036 50 0 BEAARN CCS[C@H]1CCC[C@@H](NC(=O)CCOC)C1 ZINC000079013383 170652503 /nfs/dbraw/zinc/65/25/03/170652503.db2.gz OHJLCUGFGXPSLQ-MNOVXSKESA-N 0 0 245.388 2.203 50 0 BEAARN CC[C@@H](C)NC(=O)Nc1ccc(N(C)C)nc1 ZINC000048092038 170744002 /nfs/dbraw/zinc/74/40/02/170744002.db2.gz CJRCVBIPTAINQH-SECBINFHSA-N 0 0 236.319 2.068 50 0 BEAARN CC[C@@H](C)c1ccc(O[C@H](C)C(N)=O)cc1 ZINC000009959525 170804624 /nfs/dbraw/zinc/80/46/24/170804624.db2.gz VPMWZLUFDOHJFC-NXEZZACHSA-N 0 0 221.300 2.453 50 0 BEAARN CC[C@@H](O)c1nccn1Cc1ccccc1 ZINC000225654874 170939017 /nfs/dbraw/zinc/93/90/17/170939017.db2.gz GIKHXYBQMPTBCX-GFCCVEGCSA-N 0 0 216.284 2.375 50 0 BEAARN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000061679950 170946395 /nfs/dbraw/zinc/94/63/95/170946395.db2.gz MWGSZOZQMNYWPW-CYBMUJFWSA-N 0 0 233.311 2.208 50 0 BEAARN CC[C@@H]1CCN(Cc2ccccc2)CC1=O ZINC000169794910 171012713 /nfs/dbraw/zinc/01/27/13/171012713.db2.gz JXHKGEHFTYIWSJ-CYBMUJFWSA-N 0 0 217.312 2.488 50 0 BEAARN CC[C@](O)(c1ncc[nH]1)c1ccc(OC)cc1 ZINC000328579393 171194742 /nfs/dbraw/zinc/19/47/42/171194742.db2.gz FJFQMEDIWGWJPF-CYBMUJFWSA-N 0 0 232.283 2.064 50 0 BEAARN CC[C@H](C(=O)[O-])[N@H+](C)CCc1ccc(F)cc1 ZINC000191410078 171236695 /nfs/dbraw/zinc/23/66/95/171236695.db2.gz DCTMUYCNFKFLSP-GFCCVEGCSA-N 0 0 239.290 2.163 50 0 BEAARN CC[C@H](C)C(=O)NCCc1ccccc1 ZINC000000030870 171250680 /nfs/dbraw/zinc/25/06/80/171250680.db2.gz ATJCPLZYBIYWSZ-NSHDSACASA-N 0 0 205.301 2.391 50 0 biogenic BEAARN CC[C@H](C)C(=O)NCc1ccc(COC)cc1 ZINC000036394039 171251693 /nfs/dbraw/zinc/25/16/93/171251693.db2.gz YYDDPWLTIBEVTD-NSHDSACASA-N 0 0 235.327 2.495 50 0 BEAARN CC[C@H](C)C(=O)O[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000095456191 171256220 /nfs/dbraw/zinc/25/62/20/171256220.db2.gz YVMWODHBBXEVIM-GARJFASQSA-N 0 0 242.315 2.308 50 0 BEAARN CC[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000000029289 171328259 /nfs/dbraw/zinc/32/82/59/171328259.db2.gz LLYAYQLHPLJXKR-JTQLQIEISA-N 0 0 221.300 2.152 50 0 BEAARN CC[C@H](C)NC(=O)Cc1cccc(F)c1 ZINC000019934860 171328588 /nfs/dbraw/zinc/32/85/88/171328588.db2.gz LCLJLVUPBYOURW-VIFPVBQESA-N 0 0 209.264 2.283 50 0 BEAARN CC[C@H](C)NC(=O)Cc1ccccc1C ZINC000044715386 171328602 /nfs/dbraw/zinc/32/86/02/171328602.db2.gz WQCGCGYJHOVMKE-NSHDSACASA-N 0 0 205.301 2.452 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000012552221 171336159 /nfs/dbraw/zinc/33/61/59/171336159.db2.gz RSJZMGQYZPBNRA-QMMMGPOBSA-N 0 0 233.271 2.198 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000028576840 171337072 /nfs/dbraw/zinc/33/70/72/171337072.db2.gz LCRBXKMFKOKZAC-JTQLQIEISA-N 0 0 247.298 2.053 50 0 BEAARN CC[C@H](C)NC(=O)c1sc(C)nc1C ZINC000021783991 171338534 /nfs/dbraw/zinc/33/85/34/171338534.db2.gz BEEQVCPXJBUVSD-LURJTMIESA-N 0 0 212.318 2.288 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1ccc(F)cc1F ZINC000010030144 171344731 /nfs/dbraw/zinc/34/47/31/171344731.db2.gz GHZREYDCAKEYHR-ZETCQYMHSA-N 0 0 249.282 2.042 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1 ZINC000007307818 171345282 /nfs/dbraw/zinc/34/52/82/171345282.db2.gz LKASJCNNFUKDLF-QMMMGPOBSA-N 0 0 247.747 2.417 50 0 BEAARN CC[C@@H](C)OC(=O)CCC(=O)O[C@@H](C)CC ZINC000031334715 171351264 /nfs/dbraw/zinc/35/12/64/171351264.db2.gz PJZURRKQOJYGAU-AOOOYVTPSA-N 0 0 230.304 2.450 50 0 BEAARN CC[C@H](C)OC(=O)N1CCCC[C@H]1CCO ZINC000005925031 171351436 /nfs/dbraw/zinc/35/14/36/171351436.db2.gz QLHULAHOXSSASE-QWRGUYRKSA-N 0 0 229.320 2.158 50 0 in-man BEAARN CC[C@H](COC)NC(=O)NC1CCCCC1 ZINC000000388978 171456491 /nfs/dbraw/zinc/45/64/91/171456491.db2.gz BKEOBCHPNHHALO-SNVBAGLBSA-N 0 0 228.336 2.043 50 0 BEAARN CC[C@H]1N=C(c2ccccc2)SCN1 ZINC000041124480 171680720 /nfs/dbraw/zinc/68/07/20/171680720.db2.gz QQOYGYGODQFNOS-SNVBAGLBSA-N 0 0 206.314 2.463 50 0 BEAARN CCc1cc(C(=O)Nc2ccccc2)no1 ZINC000064555144 171755758 /nfs/dbraw/zinc/75/57/58/171755758.db2.gz ABPFBGWKDNEGIB-UHFFFAOYSA-N 0 0 216.240 2.489 50 0 BEAARN CCc1cc(O)ccc1NC(=O)c1ccon1 ZINC000191089490 171770224 /nfs/dbraw/zinc/77/02/24/171770224.db2.gz YGPKEMRUDJPSHM-UHFFFAOYSA-N 0 0 232.239 2.195 50 0 BEAARN CCc1cc2c([nH]c(CC3CC3)nc2=O)s1 ZINC000090066164 171775521 /nfs/dbraw/zinc/77/55/21/171775521.db2.gz VZNKUXKNGHHWPA-UHFFFAOYSA-N 0 0 234.324 2.500 50 0 BEAARN CCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012983160 171785132 /nfs/dbraw/zinc/78/51/32/171785132.db2.gz FBJQWZOURYYIFT-TXEJJXNPSA-N 0 0 247.338 2.498 50 0 BEAARN CCc1ccc(OCC(=O)N(CC)CC)cc1 ZINC000003212859 171826602 /nfs/dbraw/zinc/82/66/02/171826602.db2.gz IGWLKYXDUZZRGO-UHFFFAOYSA-N 0 0 235.327 2.496 50 0 BEAARN CCc1ccccc1NC(=S)NCCOC ZINC000007561181 171887979 /nfs/dbraw/zinc/88/79/79/171887979.db2.gz NMAHSJMEANNVNW-UHFFFAOYSA-N 0 0 238.356 2.182 50 0 BEAARN CCc1nc2cccc(C(=O)OC)c2o1 ZINC000044676176 172013965 /nfs/dbraw/zinc/01/39/65/172013965.db2.gz PIVKGYABLAWEKJ-UHFFFAOYSA-N 0 0 205.213 2.177 50 0 BEAARN CCc1nnc(NC(=O)NC(C)(C)C)s1 ZINC000003434424 172057486 /nfs/dbraw/zinc/05/74/86/172057486.db2.gz ACFUSCXJAOUIHE-UHFFFAOYSA-N 0 0 228.321 2.021 50 0 BEAARN CCc1nnc(NCc2cccn2C)s1 ZINC000097231784 172060059 /nfs/dbraw/zinc/06/00/59/172060059.db2.gz VSPVRNGXHYYZNC-UHFFFAOYSA-N 0 0 222.317 2.051 50 0 BEAARN CCc1nnc2c3ccccc3c(Cl)nn12 ZINC000004753320 172067711 /nfs/dbraw/zinc/06/77/11/172067711.db2.gz XJIMFWNSKGDPIS-UHFFFAOYSA-N 0 0 232.674 2.493 50 0 BEAARN CCc1nnc2ccc(N3CCCCCC3)nn21 ZINC000032093664 172067823 /nfs/dbraw/zinc/06/78/23/172067823.db2.gz CWOURHWCROCCBD-UHFFFAOYSA-N 0 0 245.330 2.067 50 0 BEAARN CCc1noc(CN2CCCC[C@@H]2C)n1 ZINC000040489583 172084734 /nfs/dbraw/zinc/08/47/34/172084734.db2.gz ZFVKGLHVMRKEHF-VIFPVBQESA-N 0 0 209.293 2.006 50 0 BEAARN CCc1noc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000040489571 172084969 /nfs/dbraw/zinc/08/49/69/172084969.db2.gz BVDLLUDDKZKNFM-AOOOYVTPSA-N 0 0 223.320 2.110 50 0 BEAARN CCc1noc(CSc2ccccn2)n1 ZINC000036396559 172085330 /nfs/dbraw/zinc/08/53/30/172085330.db2.gz AGJJXURIHMILHU-UHFFFAOYSA-N 0 0 221.285 2.319 50 0 BEAARN CCc1noc([C@@H](C)N2CCC(C)CC2)n1 ZINC000042651750 172089564 /nfs/dbraw/zinc/08/95/64/172089564.db2.gz VBKDFMFGPDXFJH-SNVBAGLBSA-N 0 0 223.320 2.425 50 0 BEAARN CCc1nsc(N[C@H]2CCC[C@]2(C)CO)n1 ZINC000096455804 172108139 /nfs/dbraw/zinc/10/81/39/172108139.db2.gz ZGMAXQNILZBTFI-GZMMTYOYSA-N 0 0 241.360 2.064 50 0 BEAARN CCc1nsc(N[C@H]2CCC[C@@]2(C)CO)n1 ZINC000096455802 172108192 /nfs/dbraw/zinc/10/81/92/172108192.db2.gz ZGMAXQNILZBTFI-KWQFWETISA-N 0 0 241.360 2.064 50 0 BEAARN CCc1ocnc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000096456024 172120432 /nfs/dbraw/zinc/12/04/32/172120432.db2.gz KARSBOKPUNTRIE-GHMZBOCLSA-N 0 0 248.326 2.499 50 0 BEAARN CCc1onc(C)c1NC(=O)C(C)(C)COC ZINC000153992869 172125599 /nfs/dbraw/zinc/12/55/99/172125599.db2.gz UDHSLBUABDKNCD-UHFFFAOYSA-N 0 0 240.303 2.157 50 0 BEAARN CCn1c(-c2ccccc2O)n[nH]c1=S ZINC000013124882 172131222 /nfs/dbraw/zinc/13/12/22/172131222.db2.gz GLHFSNPXOZMSHP-UHFFFAOYSA-N 0 0 221.285 2.333 50 0 BEAARN CCn1c(=O)cc(O)c2cc(C)ccc21 ZINC000100062508 172131691 /nfs/dbraw/zinc/13/16/91/172131691.db2.gz NBQFLJHARUBXDQ-UHFFFAOYSA-N 0 0 203.241 2.035 50 0 BEAARN CCn1c(C)cc(C(=O)N2CCCC2)c1C ZINC000032850682 172135494 /nfs/dbraw/zinc/13/54/94/172135494.db2.gz WBFJLDDQCWVRFV-UHFFFAOYSA-N 0 0 220.316 2.361 50 0 BEAARN CCn1c(C)cc(C(=O)NC(C)C)c1C ZINC000032850678 172135836 /nfs/dbraw/zinc/13/58/36/172135836.db2.gz KSOPZNAACXAQKZ-UHFFFAOYSA-N 0 0 208.305 2.263 50 0 BEAARN CCn1c(C)nc2cc(C(=O)OC)ccc21 ZINC000000078237 172137725 /nfs/dbraw/zinc/13/77/25/172137725.db2.gz CLJIRVRIUQJCQU-UHFFFAOYSA-N 0 0 218.256 2.151 50 0 BEAARN CCn1c(C=O)nc2cc(C)c(C)cc21 ZINC000022863916 172143545 /nfs/dbraw/zinc/14/35/45/172143545.db2.gz HGMYIQIVNITZRC-UHFFFAOYSA-N 0 0 202.257 2.486 50 0 BEAARN CCn1c2ccc(F)cc2nc1Cn1ccnc1 ZINC000066828951 172146094 /nfs/dbraw/zinc/14/60/94/172146094.db2.gz HMOGOVDBOCWVLA-UHFFFAOYSA-N 0 0 244.273 2.440 50 0 BEAARN CCn1cc(C(=O)OCC(C)(C)SC)cn1 ZINC000097033214 172156882 /nfs/dbraw/zinc/15/68/82/172156882.db2.gz OOGXKULMXMKODA-UHFFFAOYSA-N 0 0 242.344 2.201 50 0 BEAARN CCn1cc(C=O)c2c1cccc2C(=O)OC ZINC000011919631 172158767 /nfs/dbraw/zinc/15/87/67/172158767.db2.gz XSVWQVXVTZDKHM-UHFFFAOYSA-N 0 0 231.251 2.260 50 0 BEAARN CCn1cc(OC(=O)c2ccc(C)o2)cn1 ZINC000192023578 172189740 /nfs/dbraw/zinc/18/97/40/172189740.db2.gz ICAQIXSVWHPNLD-UHFFFAOYSA-N 0 0 220.228 2.024 50 0 BEAARN CCn1ccnc(NC2CCCCCC2)c1=O ZINC000061762607 172210499 /nfs/dbraw/zinc/21/04/99/172210499.db2.gz QAQCDZOXGCDTHT-UHFFFAOYSA-N 0 0 235.331 2.398 50 0 BEAARN CCn1cncc1CN1C[C@H](CC(C)C)CC1=O ZINC000095511586 172233173 /nfs/dbraw/zinc/23/31/73/172233173.db2.gz FQMFFANSCFRTHD-GFCCVEGCSA-N 0 0 249.358 2.298 50 0 BEAARN CCn1nc(C)c(CCC(=O)N2CCCC2)c1C ZINC000072240501 172245188 /nfs/dbraw/zinc/24/51/88/172245188.db2.gz YCVSTIJCPRBTCN-UHFFFAOYSA-N 0 0 249.358 2.075 50 0 BEAARN CCn1nc(C)c(CN(C)C(=O)C2CCC2)c1C ZINC000028573416 172246009 /nfs/dbraw/zinc/24/60/09/172246009.db2.gz GRAXURRMOLNRRY-UHFFFAOYSA-N 0 0 249.358 2.278 50 0 BEAARN CCn1nc(C)c(NC(=O)c2cccnc2)c1C ZINC000002762459 172248959 /nfs/dbraw/zinc/24/89/59/172248959.db2.gz HELVVSGMPYIEJM-UHFFFAOYSA-N 0 0 244.298 2.167 50 0 BEAARN CCn1nc(C)c2nc(C(C)C)nc(NC)c21 ZINC000072238356 172249488 /nfs/dbraw/zinc/24/94/88/172249488.db2.gz VYVVVMPSFOVZPG-UHFFFAOYSA-N 0 0 233.319 2.320 50 0 BEAARN CCn1ncc(CNC(=O)C2CCCC2)c1C ZINC000002103318 172254920 /nfs/dbraw/zinc/25/49/20/172254920.db2.gz KRRFJUVNWYCEJB-UHFFFAOYSA-N 0 0 235.331 2.018 50 0 BEAARN CCn1ncc2ccc(C(=O)NC(C)C)cc21 ZINC000064555104 172256846 /nfs/dbraw/zinc/25/68/46/172256846.db2.gz FACNJWWCWZRUKZ-UHFFFAOYSA-N 0 0 231.299 2.194 50 0 BEAARN CCn1nccc1NC(=O)c1ccc(OC)cc1 ZINC000012062758 172277491 /nfs/dbraw/zinc/27/74/91/172277491.db2.gz MEOPOCZBJXBRJC-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN CN(C(=O)c1ccc(F)cc1)c1ccccn1 ZINC000009644386 172340405 /nfs/dbraw/zinc/34/04/05/172340405.db2.gz JMRDGFZNEUXSAN-UHFFFAOYSA-N 0 0 230.242 2.497 50 0 BEAARN CN(C(=O)c1cccnc1)c1ccccc1 ZINC000000029328 172343159 /nfs/dbraw/zinc/34/31/59/172343159.db2.gz FPTIYMXUGOIUNV-UHFFFAOYSA-N 0 0 212.252 2.358 50 0 BEAARN CN(C(=O)c1cccn1C)C1CCCCC1 ZINC000040460683 172343291 /nfs/dbraw/zinc/34/32/91/172343291.db2.gz HQSGQVOLGDFPFJ-UHFFFAOYSA-N 0 0 220.316 2.430 50 0 BEAARN CN(C(=O)c1ccncc1)c1ccccc1 ZINC000001740602 172344527 /nfs/dbraw/zinc/34/45/27/172344527.db2.gz IFYISVHCTQWKJB-UHFFFAOYSA-N 0 0 212.252 2.358 50 0 in-vitro BEAARN CN(C(=O)c1cnn(C)c1)C1CCCCCC1 ZINC000032857970 172346486 /nfs/dbraw/zinc/34/64/86/172346486.db2.gz UOGAMFLSSDOBJN-UHFFFAOYSA-N 0 0 235.331 2.215 50 0 BEAARN CN(C)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000042012389 172361498 /nfs/dbraw/zinc/36/14/98/172361498.db2.gz SQNCSHXNSUMYJS-UHFFFAOYSA-N 0 0 244.294 2.362 50 0 BEAARN CN(C)C(=O)Cc1cccc2ccccc21 ZINC000047651486 172375084 /nfs/dbraw/zinc/37/50/84/172375084.db2.gz RGUGDGNNXCUOGH-UHFFFAOYSA-N 0 0 213.280 2.471 50 0 BEAARN CN(C)C(=O)Cc1cccc(Br)c1 ZINC000034354366 172375775 /nfs/dbraw/zinc/37/57/75/172375775.db2.gz YASBPJQDRUGXLX-UHFFFAOYSA-N 0 0 242.116 2.080 50 0 BEAARN CN(C)C(=O)[C@H]1SCCc2sccc21 ZINC000079452003 172387776 /nfs/dbraw/zinc/38/77/76/172387776.db2.gz GEKJSMFDYYDMCL-VIFPVBQESA-N 0 0 227.354 2.167 50 0 BEAARN CN(C)C(=O)c1ccc(Br)s1 ZINC000013324266 172388368 /nfs/dbraw/zinc/38/83/68/172388368.db2.gz MTJOLAGVIMFWPP-UHFFFAOYSA-N 0 0 234.118 2.212 50 0 BEAARN CN(C)C(=O)c1csc(Br)c1 ZINC000032779931 172391864 /nfs/dbraw/zinc/39/18/64/172391864.db2.gz VKFAHFRLHANQTF-UHFFFAOYSA-N 0 0 234.118 2.212 50 0 BEAARN CN(C)C(=O)c1cccn1Cc1ccc(F)cc1 ZINC000064551775 172392444 /nfs/dbraw/zinc/39/24/44/172392444.db2.gz VNVPUZTXEKWCGV-UHFFFAOYSA-N 0 0 246.285 2.377 50 0 BEAARN CN(C)C(=O)c1sccc1-n1cccc1 ZINC000032752778 172393105 /nfs/dbraw/zinc/39/31/05/172393105.db2.gz UZZBAESVZBNCHW-UHFFFAOYSA-N 0 0 220.297 2.241 50 0 BEAARN CN(C)c1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001081157 172563472 /nfs/dbraw/zinc/56/34/72/172563472.db2.gz RIUSGHALMCFISX-UHFFFAOYSA-N 0 0 229.279 2.348 50 0 BEAARN CN1CCCC[C@@H]1c1cncc(Cl)n1 ZINC000072344239 173007667 /nfs/dbraw/zinc/00/76/67/173007667.db2.gz HOKLGQMSYIAMRK-SECBINFHSA-N 0 0 211.696 2.287 50 0 BEAARN CN1CCN(CCCCOc2ccccc2)C1=O ZINC000095519931 173080895 /nfs/dbraw/zinc/08/08/95/173080895.db2.gz YKLZHBGCUTZNRR-UHFFFAOYSA-N 0 0 248.326 2.213 50 0 BEAARN CNC(=O)CCc1ccc(C(C)C)cc1 ZINC000010338419 173263319 /nfs/dbraw/zinc/26/33/19/173263319.db2.gz JPIWUSWYMMIEFH-UHFFFAOYSA-N 0 0 205.301 2.489 50 0 BEAARN CNC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000318828 173279235 /nfs/dbraw/zinc/27/92/35/173279235.db2.gz JLCAZNLTYNGQCM-UHFFFAOYSA-N 0 0 227.691 2.082 50 0 BEAARN CNC(=O)CSC12CC3CC(CC(C3)C1)C2 ZINC000058343898 173279568 /nfs/dbraw/zinc/27/95/68/173279568.db2.gz HGHPLFNBIMKFQO-UHFFFAOYSA-N 0 0 239.384 2.434 50 0 BEAARN CNC(=O)CSCc1ccc2ccccc2n1 ZINC000225642859 173279775 /nfs/dbraw/zinc/27/97/75/173279775.db2.gz GARSBKORCHMFMG-UHFFFAOYSA-N 0 0 246.335 2.214 50 0 BEAARN CNC(=O)CSc1ccc(C)c(C)c1 ZINC000012866602 173279814 /nfs/dbraw/zinc/27/98/14/173279814.db2.gz VETMPMUMGYYALM-UHFFFAOYSA-N 0 0 209.314 2.142 50 0 BEAARN CNC(=O)C[C@@H](C)Nc1ccc(C)cc1C ZINC000095951434 173281271 /nfs/dbraw/zinc/28/12/71/173281271.db2.gz BAHGLGHNEYJAMJ-LLVKDONJSA-N 0 0 220.316 2.240 50 0 BEAARN CNC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000080613993 173291356 /nfs/dbraw/zinc/29/13/56/173291356.db2.gz KTIUCMLEHOTUSL-QMMMGPOBSA-N 0 0 242.706 2.036 50 0 BEAARN CNC(=O)N[C@@H]1CCCCc2sccc21 ZINC000004005715 173291560 /nfs/dbraw/zinc/29/15/60/173291560.db2.gz TWPOAFLPJUPQNQ-SECBINFHSA-N 0 0 224.329 2.445 50 0 BEAARN CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001231756 173292949 /nfs/dbraw/zinc/29/29/49/173292949.db2.gz SPOVEJAPXRPMBI-UHFFFAOYSA-N 0 0 218.178 2.457 50 0 BEAARN CNC(=O)[C@@H](C)SCc1ccccc1 ZINC000000379182 173296058 /nfs/dbraw/zinc/29/60/58/173296058.db2.gz FUJFLTMYPJAEOH-SECBINFHSA-N 0 0 209.314 2.054 50 0 BEAARN CNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000020488084 173296115 /nfs/dbraw/zinc/29/61/15/173296115.db2.gz PFQQYWKDKAOBLN-LLVKDONJSA-N 0 0 221.300 2.125 50 0 BEAARN CNC(=O)c1c(C)sc2cc(O)ccc21 ZINC000166244057 173309228 /nfs/dbraw/zinc/30/92/28/173309228.db2.gz OKNDOAVVCQNACN-UHFFFAOYSA-N 0 0 221.281 2.275 50 0 BEAARN CNC(=O)c1ccc(-c2cc(F)ccc2OC)o1 ZINC000096149953 173310142 /nfs/dbraw/zinc/31/01/42/173310142.db2.gz OIMOGVGHRNGKPJ-UHFFFAOYSA-N 0 0 249.241 2.454 50 0 BEAARN CNC(=O)c1cc2cc(F)ccc2s1 ZINC000007038951 173310180 /nfs/dbraw/zinc/31/01/80/173310180.db2.gz OJNGWWGVHLRANK-UHFFFAOYSA-N 0 0 209.245 2.400 50 0 BEAARN CNC(=O)c1ccccc1NCC(C)C ZINC000079016463 173312290 /nfs/dbraw/zinc/31/22/90/173312290.db2.gz LAHWDRLCRCSYGK-UHFFFAOYSA-N 0 0 206.289 2.114 50 0 BEAARN CNC(=O)c1occc1-c1ccccc1 ZINC000032903754 173314872 /nfs/dbraw/zinc/31/48/72/173314872.db2.gz WXJSTIHYCUCRHM-UHFFFAOYSA-N 0 0 201.225 2.306 50 0 BEAARN CNC(=S)Nc1cccc(Cl)c1 ZINC000013786863 173316722 /nfs/dbraw/zinc/31/67/22/173316722.db2.gz ZPPUBEIFCAXVKJ-UHFFFAOYSA-N 0 0 200.694 2.256 50 0 BEAARN CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000002769546 173317225 /nfs/dbraw/zinc/31/72/25/173317225.db2.gz VFVJUDWIOJCNID-UHFFFAOYSA-N 0 0 218.684 2.395 50 0 BEAARN CNc1cc(CN(C)Cc2ccco2)ccn1 ZINC000052720414 173474158 /nfs/dbraw/zinc/47/41/58/173474158.db2.gz DYZGIDBOFUZBPT-UHFFFAOYSA-N 0 0 231.299 2.348 50 0 BEAARN COC(=O)CC[P@@](C)(=O)OCC(C)C ZINC000001777444 173567185 /nfs/dbraw/zinc/56/71/85/173567185.db2.gz WZOWPKOCIQZEGD-AWEZNQCLSA-N 0 0 222.221 2.130 50 0 BEAARN COC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000016958015 173693845 /nfs/dbraw/zinc/69/38/45/173693845.db2.gz IJIUJEPORWHICY-SNVBAGLBSA-N 0 0 208.257 2.244 50 0 BEAARN COC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000006824117 173694094 /nfs/dbraw/zinc/69/40/94/173694094.db2.gz APCCXIBOGUMEDM-ZCFIWIBFSA-N 0 0 232.638 2.419 50 0 BEAARN COC(=O)[C@@H](C)Sc1nc2ccccc2o1 ZINC000048101681 173695026 /nfs/dbraw/zinc/69/50/26/173695026.db2.gz VPHVHOAUARDNCV-SSDOTTSWSA-N 0 0 237.280 2.481 50 0 BEAARN COC(=O)[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC000103524204 173825134 /nfs/dbraw/zinc/82/51/34/173825134.db2.gz COSCRJLYEZUUMW-HAQNSBGRSA-N 0 0 220.268 2.155 50 0 BEAARN COC(=O)[C@H]1O[C@@]1(C)c1ccc(Cl)cc1 ZINC000001696003 173830041 /nfs/dbraw/zinc/83/00/41/173830041.db2.gz WOLWRWLLWNBPRS-KOLCDFICSA-N 0 0 226.659 2.127 50 0 BEAARN COC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1N ZINC000057352337 173841845 /nfs/dbraw/zinc/84/18/45/173841845.db2.gz XDVVXFFIVCDOHV-UHFFFAOYSA-N 0 0 246.266 2.059 50 0 BEAARN COC(=O)c1cc(C(C)(C)C)ccc1O ZINC000007023293 173850580 /nfs/dbraw/zinc/85/05/80/173850580.db2.gz DDERNNBGPTTXMY-UHFFFAOYSA-N 0 0 208.257 2.476 50 0 BEAARN COC(=O)c1cc(C(F)(F)F)ccc1N ZINC000034254542 173850721 /nfs/dbraw/zinc/85/07/21/173850721.db2.gz QGFUDNJZHZNPCS-UHFFFAOYSA-N 0 0 219.162 2.074 50 0 BEAARN COC(=O)c1cc(C)nn1-c1ccc(C)cc1 ZINC000095100070 173851691 /nfs/dbraw/zinc/85/16/91/173851691.db2.gz WGWZKJPQTOZZFW-UHFFFAOYSA-N 0 0 230.267 2.276 50 0 BEAARN COC(=O)c1cc(F)c(Br)s1 ZINC000040448515 173857791 /nfs/dbraw/zinc/85/77/91/173857791.db2.gz KYNGYTAEUYSZEE-UHFFFAOYSA-N 0 0 239.065 2.436 50 0 BEAARN COC(=O)c1cc(F)ccc1Br ZINC000001688074 173859306 /nfs/dbraw/zinc/85/93/06/173859306.db2.gz FCMQMRAFVRTHCR-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN COC(=O)c1ccc(Cl)cc1OC ZINC000001872281 173880678 /nfs/dbraw/zinc/88/06/78/173880678.db2.gz UTEXPQWKBMXWJD-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN COC(=O)c1ccc(OC)cc1Br ZINC000034469287 173887718 /nfs/dbraw/zinc/88/77/18/173887718.db2.gz MGIYCRUAYQQSNL-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN COC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000004105572 173887363 /nfs/dbraw/zinc/88/73/63/173887363.db2.gz IJQLWPBDYFRONS-UHFFFAOYSA-N 0 0 234.173 2.414 50 0 BEAARN COC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000008908670 173895093 /nfs/dbraw/zinc/89/50/93/173895093.db2.gz DVSTXGWVAIDPQP-UHFFFAOYSA-N 0 0 221.256 2.068 50 0 BEAARN COC(=O)c1ccccc1C(F)(F)F ZINC000000153345 173897804 /nfs/dbraw/zinc/89/78/04/173897804.db2.gz JLCAMDSWNZBTEE-UHFFFAOYSA-N 0 0 204.147 2.492 50 0 BEAARN COC(=O)c1nc(C(F)(F)F)ccc1F ZINC000263624932 173915545 /nfs/dbraw/zinc/91/55/45/173915545.db2.gz VHDWTPBBKCJCIF-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN COC(=O)c1sccc1Br ZINC000000108545 173923016 /nfs/dbraw/zinc/92/30/16/173923016.db2.gz PEGSJNCGPSIJOX-UHFFFAOYSA-N 0 0 221.075 2.297 50 0 BEAARN COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 ZINC000001608665 174013339 /nfs/dbraw/zinc/01/33/39/174013339.db2.gz VOOYTQRREPYRIW-LBPRGKRZSA-N 0 0 232.279 2.465 50 0 endogenous,in-man BEAARN COC1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000336362924 174026083 /nfs/dbraw/zinc/02/60/83/174026083.db2.gz ASQKYBGRVICBFR-ITGUQSILSA-N 0 0 237.343 2.060 50 0 BEAARN COCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000081578487 174040456 /nfs/dbraw/zinc/04/04/56/174040456.db2.gz MTJNIHNWXQFUEX-UHFFFAOYSA-N 0 0 245.322 2.491 50 0 BEAARN COCC(=O)N1CCCSc2ccccc21 ZINC000032904990 174041098 /nfs/dbraw/zinc/04/10/98/174041098.db2.gz LYEKIIJJZGGSQI-UHFFFAOYSA-N 0 0 237.324 2.162 50 0 BEAARN COCC(=O)N1CCC[C@H]1c1ccsc1 ZINC000046913986 174043198 /nfs/dbraw/zinc/04/31/98/174043198.db2.gz BZDQKEMGWPFMAL-JTQLQIEISA-N 0 0 225.313 2.058 50 0 BEAARN COCC(=O)N[C@@H](c1cccs1)C(C)C ZINC000039985600 174053696 /nfs/dbraw/zinc/05/36/96/174053696.db2.gz DTLNAYBRGYTKNZ-LLVKDONJSA-N 0 0 227.329 2.208 50 0 BEAARN COCC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000040459660 174053715 /nfs/dbraw/zinc/05/37/15/174053715.db2.gz KQZMQUVUBYOEFA-QMMMGPOBSA-N 0 0 227.691 2.164 50 0 BEAARN COCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000040459798 174054796 /nfs/dbraw/zinc/05/47/96/174054796.db2.gz FMLWJGRHNGEWOI-QMMMGPOBSA-N 0 0 227.691 2.164 50 0 BEAARN COCC(=O)Nc1cccc2ccccc21 ZINC000000363637 174059321 /nfs/dbraw/zinc/05/93/21/174059321.db2.gz HLXLYOLEZXTERZ-UHFFFAOYSA-N 0 0 215.252 2.425 50 0 BEAARN COCC1(CNC(=O)C2CCCCC2)CCC1 ZINC000337162180 174099213 /nfs/dbraw/zinc/09/92/13/174099213.db2.gz VINGMDFCMDAKEM-UHFFFAOYSA-N 0 0 239.359 2.500 50 0 BEAARN COCCC1(C(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000095449672 174150753 /nfs/dbraw/zinc/15/07/53/174150753.db2.gz PKRVFMGVLIJDCJ-SNVBAGLBSA-N 0 0 227.348 2.354 50 0 BEAARN COCCCNC(=O)Nc1cccc(C)c1 ZINC000009875963 174242189 /nfs/dbraw/zinc/24/21/89/174242189.db2.gz AWOUPUSNXRDGJQ-UHFFFAOYSA-N 0 0 222.288 2.153 50 0 BEAARN COCCCNC(=O)Nc1cc(F)cc(F)c1 ZINC000043882072 174242852 /nfs/dbraw/zinc/24/28/52/174242852.db2.gz MJUQMHHCVWJQSL-UHFFFAOYSA-N 0 0 244.241 2.123 50 0 BEAARN COCCCNC(=O)N[C@H]1CCc2ccccc21 ZINC000049265420 174242887 /nfs/dbraw/zinc/24/28/87/174242887.db2.gz AIABKIGUUVWVHH-ZDUSSCGKSA-N 0 0 248.326 2.010 50 0 BEAARN COCCCNC(=O)c1ccc2ccccc2n1 ZINC000014235495 174244812 /nfs/dbraw/zinc/24/48/12/174244812.db2.gz LESCKVUTPCZCFA-UHFFFAOYSA-N 0 0 244.294 2.001 50 0 BEAARN COCCCNC(=O)c1ccc(F)cc1Cl ZINC000033023970 174245195 /nfs/dbraw/zinc/24/51/95/174245195.db2.gz DXECKSXUDKRLQN-UHFFFAOYSA-N 0 0 245.681 2.245 50 0 BEAARN COCCCNC(=O)c1ccc2c(c1)CCCC2 ZINC000040464638 174245371 /nfs/dbraw/zinc/24/53/71/174245371.db2.gz ZMJSTJONLXQRIR-UHFFFAOYSA-N 0 0 247.338 2.332 50 0 BEAARN COCCCNC(=S)N1[C@@H](C)CCC[C@@H]1C ZINC000005061140 174245878 /nfs/dbraw/zinc/24/58/78/174245878.db2.gz YIJYNRMUUBIRAZ-QWRGUYRKSA-N 0 0 244.404 2.160 50 0 BEAARN COCCCOc1ccc(N)cc1Cl ZINC000014630029 174256726 /nfs/dbraw/zinc/25/67/26/174256726.db2.gz QVGFYLYLJLNCMC-UHFFFAOYSA-N 0 0 215.680 2.338 50 0 BEAARN COCCCOc1ccc(-n2cccn2)cc1 ZINC000097114869 174257274 /nfs/dbraw/zinc/25/72/74/174257274.db2.gz BVZFIQHEYMTFCT-UHFFFAOYSA-N 0 0 232.283 2.288 50 0 BEAARN COCCCS[C@H](C)c1nnc(C)o1 ZINC000170602140 174259673 /nfs/dbraw/zinc/25/96/73/174259673.db2.gz KMFSJKURIPHWCP-SSDOTTSWSA-N 0 0 216.306 2.209 50 0 BEAARN COCCN(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000221560126 174271509 /nfs/dbraw/zinc/27/15/09/174271509.db2.gz WEVCSVVJYYKSOZ-GRYCIOLGSA-N 0 0 242.363 2.099 50 0 BEAARN COCCN(CC(C)C)C(=O)c1ccoc1 ZINC000065517457 174287466 /nfs/dbraw/zinc/28/74/66/174287466.db2.gz HJVCJAIQZSTDEO-UHFFFAOYSA-N 0 0 225.288 2.024 50 0 BEAARN COCCN(Cc1ccoc1)C(=O)C1CCC1 ZINC000085474172 174300754 /nfs/dbraw/zinc/30/07/54/174300754.db2.gz FUIWWDFIGCALAW-UHFFFAOYSA-N 0 0 237.299 2.055 50 0 BEAARN COCCNC(=O)Nc1ccc(Cl)cc1 ZINC000002161953 174326012 /nfs/dbraw/zinc/32/60/12/174326012.db2.gz FBMDLVCYAHGYPO-UHFFFAOYSA-N 0 0 228.679 2.108 50 0 BEAARN COCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002911354 174328762 /nfs/dbraw/zinc/32/87/62/174328762.db2.gz NFEBBASOQQQCDN-UHFFFAOYSA-N 0 0 248.109 2.370 50 0 BEAARN COCCNC(=O)c1cccc2ccccc21 ZINC000003093799 174329024 /nfs/dbraw/zinc/32/90/24/174329024.db2.gz XZNJITJEXHWDII-UHFFFAOYSA-N 0 0 229.279 2.216 50 0 BEAARN COCCNC(=S)Nc1ccc(C)c(C)c1 ZINC000003285719 174330274 /nfs/dbraw/zinc/33/02/74/174330274.db2.gz HKKXTRRFRZAYFW-UHFFFAOYSA-N 0 0 238.356 2.236 50 0 BEAARN COCCNc1ccc(-c2ccccc2)nn1 ZINC000012391395 174340773 /nfs/dbraw/zinc/34/07/73/174340773.db2.gz VFKBHHXCZXVOQD-UHFFFAOYSA-N 0 0 229.283 2.202 50 0 BEAARN COCCOC(=O)CC1CCCCC1 ZINC000096995810 174343151 /nfs/dbraw/zinc/34/31/51/174343151.db2.gz XHNBIRHWCHKATK-UHFFFAOYSA-N 0 0 200.278 2.146 50 0 BEAARN COCCOc1ccc(Br)cc1 ZINC000019432075 174367741 /nfs/dbraw/zinc/36/77/41/174367741.db2.gz DQKTZKYEOYBUSN-UHFFFAOYSA-N 0 0 231.089 2.474 50 0 BEAARN COC[C@@H](C)NC(=O)C[C@H](C)C(C)(C)C ZINC000084636741 174452766 /nfs/dbraw/zinc/45/27/66/174452766.db2.gz OQPPEHNTKPKYFM-VHSXEESVSA-N 0 0 215.337 2.210 50 0 BEAARN COC[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC000002739664 174452898 /nfs/dbraw/zinc/45/28/98/174452898.db2.gz FFGVLDYPDMZYRF-VXGBXAGGSA-N 0 0 235.327 2.331 50 0 BEAARN CONC(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000162867546 174665944 /nfs/dbraw/zinc/66/59/44/174665944.db2.gz ZZQXOVWZVDLEAC-SNVBAGLBSA-N 0 0 236.315 2.213 50 0 BEAARN COP(=O)(OC)C1SCCS1 ZINC000228902136 174669600 /nfs/dbraw/zinc/66/96/00/174669600.db2.gz IKMWQJFOJQJJJM-UHFFFAOYSA-N 0 0 214.248 2.236 50 0 BEAARN COc1cc(C=O)c(OC)cc1Br ZINC000000269226 174975318 /nfs/dbraw/zinc/97/53/18/174975318.db2.gz BIFWGDWGCZLCHF-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN COc1cc(C=O)cc(Cl)c1OC ZINC000000151871 174975384 /nfs/dbraw/zinc/97/53/84/174975384.db2.gz AMZCHEDPEAQEMC-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN COc1cc(C=O)c(F)cc1Br ZINC000145543278 174975566 /nfs/dbraw/zinc/97/55/66/174975566.db2.gz TWHBNRXZMJJLJO-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN COc1cc(C=O)ccc1N1CCCC1 ZINC000004973734 174976986 /nfs/dbraw/zinc/97/69/86/174976986.db2.gz DHEGLVHUQIEQEA-UHFFFAOYSA-N 0 0 205.257 2.108 50 0 BEAARN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)cc(OC)c1 ZINC000006385974 175000700 /nfs/dbraw/zinc/00/07/00/175000700.db2.gz YQRKNUWRPNIAAQ-QPUJVOFHSA-N 0 0 235.283 2.298 50 0 BEAARN COc1cc(NC(=O)c2ccncc2)ccc1F ZINC000189428143 175000834 /nfs/dbraw/zinc/00/08/34/175000834.db2.gz GJSXOBIBDAZQSO-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1cc(OC)c(C=O)cc1Cl ZINC000008728862 175007314 /nfs/dbraw/zinc/00/73/14/175007314.db2.gz GIVDGPVKJDAWMO-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN COc1cc(OC)cc(N2CC(C)(C)C2=O)c1 ZINC000001403391 175010173 /nfs/dbraw/zinc/01/01/73/175010173.db2.gz HTNRVTHZLJUHAW-UHFFFAOYSA-N 0 0 235.283 2.077 50 0 BEAARN COc1cc2c(cc1Br)OCO2 ZINC000038302484 175020551 /nfs/dbraw/zinc/02/05/51/175020551.db2.gz NYSXBFLEQUHZNB-UHFFFAOYSA-N 0 0 231.045 2.186 50 0 BEAARN COc1cc2ncc(Cl)nc2cc1OC ZINC000052144881 175028412 /nfs/dbraw/zinc/02/84/12/175028412.db2.gz KJGOYBHXJBMXIL-UHFFFAOYSA-N 0 0 224.647 2.300 50 0 BEAARN COc1ccc(-c2cc(NC(C)=O)n[nH]2)cc1 ZINC000071405360 175032429 /nfs/dbraw/zinc/03/24/29/175032429.db2.gz HGYRBIHSTDCIJS-UHFFFAOYSA-N 0 0 231.255 2.044 50 0 BEAARN COc1ccc(-c2cnc(N)c(C)c2)cn1 ZINC000065370536 175035943 /nfs/dbraw/zinc/03/59/43/175035943.db2.gz SUQGITSRZATYNM-UHFFFAOYSA-N 0 0 215.256 2.043 50 0 BEAARN COc1ccc(-c2csc(=NN)[nH]2)cc1F ZINC000004299226 175037915 /nfs/dbraw/zinc/03/79/15/175037915.db2.gz SDSJTGLYUZTZQI-UHFFFAOYSA-N 0 0 239.275 2.243 50 0 BEAARN COc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1 ZINC000000798226 175038609 /nfs/dbraw/zinc/03/86/09/175038609.db2.gz FIMVOUAMAMVCTN-UHFFFAOYSA-N 0 0 246.266 2.307 50 0 BEAARN COc1ccc(-c2ncccc2N)cc1 ZINC000003884058 175040728 /nfs/dbraw/zinc/04/07/28/175040728.db2.gz JDHOZFNYCLTLCJ-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN COc1ccc(-c2ncon2)cc1Cl ZINC000096511619 175041214 /nfs/dbraw/zinc/04/12/14/175041214.db2.gz GGAOQNWLDYGCCM-UHFFFAOYSA-N 0 0 210.620 2.399 50 0 BEAARN COc1ccc(-n2cccc2C=O)cc1 ZINC000000453575 175043765 /nfs/dbraw/zinc/04/37/65/175043765.db2.gz VBOUNTHJXKGWSS-UHFFFAOYSA-N 0 0 201.225 2.298 50 0 BEAARN COc1ccc(/C=C2\N=C3CCCN3C2=O)cc1 ZINC000003394400 175048001 /nfs/dbraw/zinc/04/80/01/175048001.db2.gz AGFPJOAOTBMRDC-XFXZXTDPSA-N 0 0 242.278 2.071 50 0 BEAARN COc1ccc(C(=O)C2CC2)cc1OC ZINC000009028524 175052653 /nfs/dbraw/zinc/05/26/53/175052653.db2.gz WXDFELRIXYRAFJ-UHFFFAOYSA-N 0 0 206.241 2.297 50 0 BEAARN COc1ccc(C(=O)NC2CC2)cc1Cl ZINC000072437605 175058660 /nfs/dbraw/zinc/05/86/60/175058660.db2.gz KCLUQBFFQWTSPT-UHFFFAOYSA-N 0 0 225.675 2.241 50 0 BEAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cn1 ZINC000016230374 175062028 /nfs/dbraw/zinc/06/20/28/175062028.db2.gz RDWZVHFFXXDROT-CMPLNLGQSA-N 0 0 248.326 2.399 50 0 BEAARN COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1 ZINC000025592976 175062185 /nfs/dbraw/zinc/06/21/85/175062185.db2.gz RZGOKNIVAKPJEW-VIFPVBQESA-N 0 0 219.284 2.224 50 0 BEAARN COc1ccc(C(=O)Nc2nnc(C)s2)cc1 ZINC000000207324 175064699 /nfs/dbraw/zinc/06/46/99/175064699.db2.gz GDUHPESFPOUUSL-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccc(C(=O)Nc2ncccc2O)cc1 ZINC000015948111 175064766 /nfs/dbraw/zinc/06/47/66/175064766.db2.gz WXNNVDZGDIVZAY-UHFFFAOYSA-N 0 0 244.250 2.048 50 0 BEAARN COc1ccc(C(=O)[C@H]2CCCC[C@@H]2O)cc1 ZINC000071774189 175066455 /nfs/dbraw/zinc/06/64/55/175066455.db2.gz FPFKQVFZWWCVOZ-STQMWFEESA-N 0 0 234.295 2.429 50 0 BEAARN COc1ccc(C)cc1-c1ccc(C(N)=O)cn1 ZINC000067459081 175072388 /nfs/dbraw/zinc/07/23/88/175072388.db2.gz IQPCHZLVOIEQSC-UHFFFAOYSA-N 0 0 242.278 2.165 50 0 BEAARN COc1ccc(C)cc1N[C@@H](C)C(=O)NC1CC1 ZINC000006300019 175078733 /nfs/dbraw/zinc/07/87/33/175078733.db2.gz XXRKBVUQLKFBIJ-JTQLQIEISA-N 0 0 248.326 2.083 50 0 BEAARN COc1ccc(C)cc1[C@@H](C)NC(C)=O ZINC000023923660 175079568 /nfs/dbraw/zinc/07/95/68/175079568.db2.gz BXXSIRKVGDOVRV-SECBINFHSA-N 0 0 207.273 2.201 50 0 BEAARN COc1ccc(C2CC(=O)CC(=O)C2)cc1OC ZINC000100014310 175085672 /nfs/dbraw/zinc/08/56/72/175085672.db2.gz IRKIDJHFWYGNFG-UHFFFAOYSA-N 0 0 248.278 2.110 50 0 BEAARN COc1ccc(C=O)cc1OC[C@H]1CCCO1 ZINC000014000209 175086678 /nfs/dbraw/zinc/08/66/78/175086678.db2.gz SUFFJIJSPVWTCP-LLVKDONJSA-N 0 0 236.267 2.066 50 0 BEAARN COc1ccc(CC(=O)NC(C)(C)C)cc1 ZINC000000183221 175086792 /nfs/dbraw/zinc/08/67/92/175086792.db2.gz RMKLKZFLYACKGS-UHFFFAOYSA-N 0 0 221.300 2.152 50 0 BEAARN COc1ccc(CCC(=O)Nc2ccon2)cc1 ZINC000013746943 175088500 /nfs/dbraw/zinc/08/85/00/175088500.db2.gz ZNXJUTPKVOXVOA-UHFFFAOYSA-N 0 0 246.266 2.255 50 0 BEAARN COc1ccc(CCC(=O)Nc2cnoc2)cc1 ZINC000075170862 175088671 /nfs/dbraw/zinc/08/86/71/175088671.db2.gz PVGRKACMFFRPQL-UHFFFAOYSA-N 0 0 246.266 2.255 50 0 BEAARN COc1ccc(CCn2ccccc2=O)cc1 ZINC000045027610 175094317 /nfs/dbraw/zinc/09/43/17/175094317.db2.gz BKPDORNTUYUQLI-UHFFFAOYSA-N 0 0 229.279 2.100 50 0 BEAARN COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000003754739 175098757 /nfs/dbraw/zinc/09/87/57/175098757.db2.gz VHKOUIFYHWLPHA-ZDUSSCGKSA-N 0 0 249.310 2.134 50 0 BEAARN COc1ccc(CNC(=O)C=C(C)C)cc1 ZINC000022928363 175103782 /nfs/dbraw/zinc/10/37/82/175103782.db2.gz YMCMRLSKEUWNOU-UHFFFAOYSA-N 0 0 219.284 2.278 50 0 BEAARN COc1ccc(COC(=O)c2ccc[nH]2)cc1 ZINC000261493758 175113074 /nfs/dbraw/zinc/11/30/74/175113074.db2.gz IRDUNCZWOOQNDO-UHFFFAOYSA-N 0 0 231.251 2.380 50 0 BEAARN COc1ccc(COc2cccnc2C)cn1 ZINC000096007474 175114252 /nfs/dbraw/zinc/11/42/52/175114252.db2.gz JDFUUCRGKYWRPY-UHFFFAOYSA-N 0 0 230.267 2.373 50 0 BEAARN COc1ccc(Cl)cc1-c1cc(N)n[nH]1 ZINC000004234673 175119942 /nfs/dbraw/zinc/11/99/42/175119942.db2.gz PAMBTRVKKBROAC-UHFFFAOYSA-N 0 0 223.663 2.321 50 0 BEAARN COc1ccc(Cl)c2sc(=NN)[nH]c21 ZINC000011919325 175120066 /nfs/dbraw/zinc/12/00/66/175120066.db2.gz XRWIIAACHZRIKZ-UHFFFAOYSA-N 0 0 229.692 2.244 50 0 BEAARN COc1ccc(F)c(-c2ccc[nH]c2=O)c1 ZINC000065339204 175124701 /nfs/dbraw/zinc/12/47/01/175124701.db2.gz GWMVOLZGTOQPAS-UHFFFAOYSA-N 0 0 219.215 2.190 50 0 BEAARN COc1ccc(F)c(-c2ccnc(N)c2)c1 ZINC000065528850 175124710 /nfs/dbraw/zinc/12/47/10/175124710.db2.gz VBEKHZOZVXKXOX-UHFFFAOYSA-N 0 0 218.231 2.479 50 0 BEAARN COc1ccc(N)c(NC(=O)c2ccco2)c1 ZINC000000449522 175137285 /nfs/dbraw/zinc/13/72/85/175137285.db2.gz DDQUKAYELHTFLC-UHFFFAOYSA-N 0 0 232.239 2.123 50 0 BEAARN COc1ccc(N)cc1NC(=O)C1CCC1 ZINC000021965059 175138426 /nfs/dbraw/zinc/13/84/26/175138426.db2.gz VBZFUNPPQXGESH-UHFFFAOYSA-N 0 0 220.272 2.016 50 0 BEAARN COc1ccc(NC(=O)N(C)[C@@H](C)C2CC2)cn1 ZINC000061311029 175143313 /nfs/dbraw/zinc/14/33/13/175143313.db2.gz ZCZLAMRWHMZKLR-VIFPVBQESA-N 0 0 249.314 2.352 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2CCCO2)c(C)c1 ZINC000001053546 175145249 /nfs/dbraw/zinc/14/52/49/175145249.db2.gz IIRNILLVWLGBEI-LBPRGKRZSA-N 0 0 235.283 2.121 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(OC)c1 ZINC000005461562 175145942 /nfs/dbraw/zinc/14/59/42/175145942.db2.gz ADRWLHXWNYGAMI-PSASIEDQSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1OC ZINC000012971305 175146097 /nfs/dbraw/zinc/14/60/97/175146097.db2.gz CDEZZXYETAIBRE-WCBMZHEXSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NC(=O)c2cccs2)cn1 ZINC000000128532 175147254 /nfs/dbraw/zinc/14/72/54/175147254.db2.gz KYPSHZCQLRONKR-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN COc1ccc(NC(=O)c2ccccn2)cc1 ZINC000000338463 175147479 /nfs/dbraw/zinc/14/74/79/175147479.db2.gz BRCJAMLWPTZSER-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccc(NC(=O)c2cc(C)no2)cc1 ZINC000005537858 175147719 /nfs/dbraw/zinc/14/77/19/175147719.db2.gz VERNONMBMAGKQP-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccc(NC(C)(C)CCO)cc1 ZINC000257354901 175148296 /nfs/dbraw/zinc/14/82/96/175148296.db2.gz FCQGLZLVAZBQFA-UHFFFAOYSA-N 0 0 209.289 2.268 50 0 BEAARN COc1ccc(OC)c(NC(=O)c2ccc[nH]2)c1 ZINC000071846815 175167029 /nfs/dbraw/zinc/16/70/29/175167029.db2.gz JTMSZHGWRJGQBN-UHFFFAOYSA-N 0 0 246.266 2.284 50 0 BEAARN COc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000000282007 175180811 /nfs/dbraw/zinc/18/08/11/175180811.db2.gz MCAYQVHHKRKRLD-MRVPVSSYSA-N 0 0 206.163 2.291 50 0 BEAARN COc1ccc([C@@H](O)C(C)C)cc1OC ZINC000001997838 175180815 /nfs/dbraw/zinc/18/08/15/175180815.db2.gz AHNPSXRKYWCRBA-LBPRGKRZSA-N 0 0 210.273 2.393 50 0 BEAARN COc1ccc([C@H](N)C(F)(F)F)cc1OC ZINC000019429508 175191226 /nfs/dbraw/zinc/19/12/26/175191226.db2.gz JJNFDHBWILGMKH-VIFPVBQESA-N 0 0 235.205 2.266 50 0 BEAARN COc1ccc2[nH]c3c(ncnc3OC)c2c1 ZINC000000184905 175202107 /nfs/dbraw/zinc/20/21/07/175202107.db2.gz IXGPMZSKMKGIEG-UHFFFAOYSA-N 0 0 229.239 2.128 50 0 biogenic BEAARN COc1ccc2c(cccc2C(=O)C=O)c1 ZINC000008698432 175203808 /nfs/dbraw/zinc/20/38/08/175203808.db2.gz YNTQQHUCSBOGAV-UHFFFAOYSA-N 0 0 214.220 2.230 50 0 BEAARN COc1ccc2c(CC(=O)NC3CC3)coc2c1 ZINC000008942082 175204464 /nfs/dbraw/zinc/20/44/64/175204464.db2.gz RSACIPBKGKRMII-UHFFFAOYSA-N 0 0 245.278 2.263 50 0 BEAARN COc1ccc2c(O)c(C=O)ccc2c1 ZINC000034534924 175205345 /nfs/dbraw/zinc/20/53/45/175205345.db2.gz KOSSUHOZCLHUPB-UHFFFAOYSA-N 0 0 202.209 2.367 50 0 BEAARN COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000013460734 175206942 /nfs/dbraw/zinc/20/69/42/175206942.db2.gz ZCZUDOBLRMXOGV-UHFFFAOYSA-N 0 0 206.241 2.439 50 0 endogenous,in-man BEAARN COc1ccc2cc3c(nc2c1)OCC3 ZINC000004000390 175226006 /nfs/dbraw/zinc/22/60/06/175226006.db2.gz CJRXDGACBICTPN-UHFFFAOYSA-N 0 0 201.225 2.178 50 0 biogenic BEAARN COc1ccc2nc(Br)cn2c1 ZINC000038534129 175226894 /nfs/dbraw/zinc/22/68/94/175226894.db2.gz AMINXTALIVOYAK-UHFFFAOYSA-N 0 0 227.061 2.105 50 0 BEAARN COc1ccc2oc(C(C)=O)c(N)c2c1 ZINC000000380830 175231251 /nfs/dbraw/zinc/23/12/51/175231251.db2.gz YVUNBCMFXGUQJJ-UHFFFAOYSA-N 0 0 205.213 2.226 50 0 BEAARN COc1cccc(-c2ccncn2)c1OC ZINC000067588212 175235084 /nfs/dbraw/zinc/23/50/84/175235084.db2.gz RPWZFUYUHYGUGW-UHFFFAOYSA-N 0 0 216.240 2.161 50 0 BEAARN COc1cccc(C(=O)NCCC(C)C)c1 ZINC000000563861 175244136 /nfs/dbraw/zinc/24/41/36/175244136.db2.gz PJLGWJKFLSHQLH-UHFFFAOYSA-N 0 0 221.300 2.471 50 0 BEAARN COc1cccc(CO)c1C(F)(F)F ZINC000091252073 175269700 /nfs/dbraw/zinc/26/97/00/175269700.db2.gz JHIRVPLLKYZKQB-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN COc1cccc(Cc2cnc(N)s2)c1 ZINC000007276243 175272799 /nfs/dbraw/zinc/27/27/99/175272799.db2.gz SJCCSOXYGUGKMD-UHFFFAOYSA-N 0 0 220.297 2.325 50 0 BEAARN COc1cccc(NC(=O)N2CCSC2)c1 ZINC000028232198 175276053 /nfs/dbraw/zinc/27/60/53/175276053.db2.gz ODDFFVPHKYMVNM-UHFFFAOYSA-N 0 0 238.312 2.233 50 0 BEAARN COc1cccc(OC)c1-c1cn[nH]c1 ZINC000067563371 175281136 /nfs/dbraw/zinc/28/11/36/175281136.db2.gz FQHVQKZDRCJPCC-UHFFFAOYSA-N 0 0 204.229 2.094 50 0 BEAARN COc1cccc2c1CCC[C@@H]2N1CCOCC1 ZINC000034078640 175300783 /nfs/dbraw/zinc/30/07/83/175300783.db2.gz JYZCXEMAVAIEHP-AWEZNQCLSA-N 0 0 247.338 2.405 50 0 BEAARN COc1cccc2c1OC[C@H](c1nc(C)no1)C2 ZINC000096165311 175304771 /nfs/dbraw/zinc/30/47/71/175304771.db2.gz RBYGAQODUSJTPA-SNVBAGLBSA-N 0 0 246.266 2.105 50 0 BEAARN COc1ccccc1-c1nnc(NC(C)=O)s1 ZINC000002336633 175311566 /nfs/dbraw/zinc/31/15/66/175311566.db2.gz OUNURTKDWRFINH-UHFFFAOYSA-N 0 0 249.295 2.172 50 0 BEAARN COc1ccccc1C(=O)NCc1ccccn1 ZINC000000341695 175317995 /nfs/dbraw/zinc/31/79/95/175317995.db2.gz DTHQZOFZHUGLTI-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccccc1C(=O)Nc1cccnc1 ZINC000000038950 175319077 /nfs/dbraw/zinc/31/90/77/175319077.db2.gz OQVYNPXHJJKJCS-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccccc1CCNC(=O)C(C)(C)C ZINC000040457594 175323402 /nfs/dbraw/zinc/32/34/02/175323402.db2.gz PORZLKOCKCRLDM-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN COc1ccccc1NC(=O)c1ccc[nH]1 ZINC000032743639 175336499 /nfs/dbraw/zinc/33/64/99/175336499.db2.gz CYCHIYQLPUSOJQ-UHFFFAOYSA-N 0 0 216.240 2.276 50 0 BEAARN COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCO1 ZINC000049940465 175345314 /nfs/dbraw/zinc/34/53/14/175345314.db2.gz HSGMJJFPEWFTBR-MFKMUULPSA-N 0 0 249.310 2.051 50 0 BEAARN COc1ccncc1NCc1nc(C)cs1 ZINC000095430862 175376274 /nfs/dbraw/zinc/37/62/74/175376274.db2.gz ONPYUOFEMPTFTJ-UHFFFAOYSA-N 0 0 235.312 2.467 50 0 BEAARN COc1cncc(CNC(=O)OC(C)(C)C)c1 ZINC000035270301 175385128 /nfs/dbraw/zinc/38/51/28/175385128.db2.gz KPVFFEIBBYVREZ-UHFFFAOYSA-N 0 0 238.287 2.115 50 0 BEAARN COc1ncc(-c2ccccc2)c(OC)n1 ZINC000095495956 175397388 /nfs/dbraw/zinc/39/73/88/175397388.db2.gz PWSVFGHOWWIASZ-UHFFFAOYSA-N 0 0 216.240 2.161 50 0 BEAARN CSc1cc(NC(C)=O)c2ncccc2c1N ZINC000000400142 175573456 /nfs/dbraw/zinc/57/34/56/175573456.db2.gz KSICPQPXAOXQCU-UHFFFAOYSA-N 0 0 247.323 2.497 50 0 BEAARN CSc1ccc(NC(=O)CCC(C)=O)cn1 ZINC000225536990 175577083 /nfs/dbraw/zinc/57/70/83/175577083.db2.gz QJVKKXIMQBUHHL-UHFFFAOYSA-N 0 0 238.312 2.111 50 0 BEAARN CSc1nnc(NC(=O)C2CCCC2)s1 ZINC000072115465 175592342 /nfs/dbraw/zinc/59/23/42/175592342.db2.gz LCXOIZOFEKGJBW-UHFFFAOYSA-N 0 0 243.357 2.389 50 0 BEAARN C[C@@H](NC(=O)Nc1cccnc1)c1cccnc1 ZINC000048234277 175841049 /nfs/dbraw/zinc/84/10/49/175841049.db2.gz NQRDIUYJZVLDLM-SNVBAGLBSA-N 0 0 242.282 2.359 50 0 BEAARN C[C@@H](NC(=O)c1ccccc1F)C1CC1 ZINC000008329180 175850638 /nfs/dbraw/zinc/85/06/38/175850638.db2.gz LJDQWKMBLDEPFP-MRVPVSSYSA-N 0 0 207.248 2.354 50 0 BEAARN C[C@@H](Nc1cnccn1)[C@H]1COc2ccccc21 ZINC000241316727 175935996 /nfs/dbraw/zinc/93/59/96/175935996.db2.gz LUJDZDRDCLRGDS-ZYHUDNBSSA-N 0 0 241.294 2.453 50 0 BEAARN C[C@@H](O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000035646047 175999494 /nfs/dbraw/zinc/99/94/94/175999494.db2.gz NAENVABPRSOQSB-SNVBAGLBSA-N 0 0 242.278 2.387 50 0 BEAARN C[C@@H](Oc1cc(Cl)ccc1Cl)C(N)=O ZINC000003469412 176003680 /nfs/dbraw/zinc/00/36/80/176003680.db2.gz MFESCQZYBZCNLS-RXMQYKEDSA-N 0 0 234.082 2.246 50 0 BEAARN C[C@@H](Oc1cccc2ccccc21)C(N)=O ZINC000006010752 176005591 /nfs/dbraw/zinc/00/55/91/176005591.db2.gz WYJKJOYWHVMPFL-SECBINFHSA-N 0 0 215.252 2.092 50 0 BEAARN C[C@@H](c1cccs1)N(C)C(=O)c1cn[nH]c1 ZINC000037652653 176033547 /nfs/dbraw/zinc/03/35/47/176033547.db2.gz HFEDVEAFIBELAI-QMMMGPOBSA-N 0 0 235.312 2.304 50 0 BEAARN C[C@@H](n1cnnn1)C12CC3CC(CC(C3)C1)C2 ZINC000004327367 176041603 /nfs/dbraw/zinc/04/16/03/176041603.db2.gz CJCYVXLTLSHMKV-HIVKSXORSA-N 0 0 232.331 2.451 50 0 BEAARN C[C@@H]1C(=O)N=C2SCCN2[C@@H]1c1ccccc1 ZINC000170625824 176045615 /nfs/dbraw/zinc/04/56/15/176045615.db2.gz IBXHOKODRNZKJE-ONGXEEELSA-N 0 0 246.335 2.309 50 0 BEAARN C[C@@H]1CC=CC[C@H]1C(=O)Nc1ncccn1 ZINC000283822834 176060415 /nfs/dbraw/zinc/06/04/15/176060415.db2.gz KIMFYRAGJQZTON-NXEZZACHSA-N 0 0 217.272 2.017 50 0 BEAARN C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 ZINC000046125178 176067090 /nfs/dbraw/zinc/06/70/90/176067090.db2.gz LSPJAKHEBSBMQL-NEPJUHHUSA-N 0 0 225.332 2.347 50 0 BEAARN C[C@@H]1CCCCN1Cc1nc(C2CC2)no1 ZINC000043999598 176073964 /nfs/dbraw/zinc/07/39/64/176073964.db2.gz BYRQRAFNYSBIME-SECBINFHSA-N 0 0 221.304 2.321 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccn1 ZINC000006436258 176079563 /nfs/dbraw/zinc/07/95/63/176079563.db2.gz DJHZNCXSQOFNIK-MNOVXSKESA-N 0 0 218.300 2.390 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccn1 ZINC000047824105 176086924 /nfs/dbraw/zinc/08/69/24/176086924.db2.gz WZYVDHDGBNQEQH-VXGBXAGGSA-N 0 0 248.326 2.155 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1 ZINC000004666529 176087569 /nfs/dbraw/zinc/08/75/69/176087569.db2.gz SIJBEDJNWKDAJV-ZYHUDNBSSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000005528015 176092075 /nfs/dbraw/zinc/09/20/75/176092075.db2.gz ADEMQGDTKYROSC-GFCCVEGCSA-N 0 0 233.311 2.324 50 0 BEAARN C[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000040505883 176092165 /nfs/dbraw/zinc/09/21/65/176092165.db2.gz ZYVLRFFHDODNDS-VXGBXAGGSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@@H]1CCCN(C(=O)Nc2ccncc2F)C1 ZINC000095940252 176093518 /nfs/dbraw/zinc/09/35/18/176093518.db2.gz YNEVHMIBVWURHY-SECBINFHSA-N 0 0 237.278 2.485 50 0 BEAARN C[C@@H](SC[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000108328162 176120101 /nfs/dbraw/zinc/12/01/01/176120101.db2.gz IWXFFWPZXPAOCY-OPRDCNLKSA-N 0 0 215.362 2.420 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2nncs2)C1 ZINC000043127802 176121622 /nfs/dbraw/zinc/12/16/22/176121622.db2.gz BMKWCXUXPXKODD-HTQZYQBOSA-N 0 0 240.332 2.238 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)c2cnccn2)[C@@H]1C ZINC000033028628 176122647 /nfs/dbraw/zinc/12/26/47/176122647.db2.gz FXQLTXZPVNTNIB-GMTAPVOTSA-N 0 0 233.315 2.031 50 0 BEAARN C[C@@H]1CCC[C@@H](Nc2ncnc3c2cnn3C)C1 ZINC000025571754 176125359 /nfs/dbraw/zinc/12/53/59/176125359.db2.gz DRMYJUKLZOQQMY-NXEZZACHSA-N 0 0 245.330 2.354 50 0 BEAARN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)OCO2 ZINC000071856463 176131087 /nfs/dbraw/zinc/13/10/87/176131087.db2.gz GGRWGASDGBEPAU-KOLCDFICSA-N 0 0 247.294 2.334 50 0 BEAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1=O ZINC000097759037 176159835 /nfs/dbraw/zinc/15/98/35/176159835.db2.gz FPTMDKGETGTSCG-SECBINFHSA-N 0 0 227.304 2.223 50 0 BEAARN C[C@@H]1CCO[C@@H]1C(=O)Nc1ncccc1Cl ZINC000195552811 176192474 /nfs/dbraw/zinc/19/24/74/176192474.db2.gz PNHZRXVYZNPDSK-APPZFPTMSA-N 0 0 240.690 2.099 50 0 BEAARN C[C@@H]1CC[C@@H](C)N1c1ncnc(N)c1Cl ZINC000225481513 176199849 /nfs/dbraw/zinc/19/98/49/176199849.db2.gz XAHAYEVHJIXWEV-RNFRBKRXSA-N 0 0 226.711 2.089 50 0 BEAARN C[C@@H]1CCc2sc3ncn4ncnc4c3c2C1 ZINC000002239499 176240922 /nfs/dbraw/zinc/24/09/22/176240922.db2.gz OLGDKHOCGGSFNT-SSDOTTSWSA-N 0 0 244.323 2.464 50 0 BEAARN C[C@@H]1CN(C(=O)CCc2ccccc2)[C@H](C)CO1 ZINC000045445954 176245634 /nfs/dbraw/zinc/24/56/34/176245634.db2.gz HZLHZGMDFKMALW-CHWSQXEVSA-N 0 0 247.338 2.255 50 0 BEAARN C[C@@H]1CN(C(=O)c2cc[nH]c2)CCC1(F)F ZINC000290766623 176260765 /nfs/dbraw/zinc/26/07/65/176260765.db2.gz BLNWPHZMBMUZQT-MRVPVSSYSA-N 0 0 228.242 2.132 50 0 BEAARN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000032865157 176260997 /nfs/dbraw/zinc/26/09/97/176260997.db2.gz ALNSUNQDBBBXKR-LLVKDONJSA-N 0 0 245.322 2.036 50 0 BEAARN C[C@@H]1CN(Cc2cscn2)C[C@@H](C)S1 ZINC000098015859 176310255 /nfs/dbraw/zinc/31/02/55/176310255.db2.gz GTUHFJUZVODZDL-RKDXNWHRSA-N 0 0 228.386 2.469 50 0 BEAARN C[C@@H]1C[C@H](Sc2ccccc2O)C(=O)O1 ZINC000089920145 176429667 /nfs/dbraw/zinc/42/96/67/176429667.db2.gz GJQSZGMWFDYFGG-XCBNKYQSSA-N 0 0 224.281 2.188 50 0 BEAARN C[C@@H]1OCc2c1nc(Cl)nc2Cl ZINC000095704790 176483938 /nfs/dbraw/zinc/48/39/38/176483938.db2.gz YJPKTOFGMNIWTF-VKHMYHEASA-N 0 0 205.044 2.375 50 0 BEAARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H](O)CCC[C@]12C ZINC000026522180 176711626 /nfs/dbraw/zinc/71/16/26/176711626.db2.gz FUBPRYXDIHQLGH-RXGFPQBGSA-N 0 0 212.333 2.192 50 0 BEAARN C[C@@H](SCc1nccn1C(F)F)[C@H](C)O ZINC000096430306 177006753 /nfs/dbraw/zinc/00/67/53/177006753.db2.gz BFGLPRYCFJTQGJ-NKWVEPMBSA-N 0 0 236.287 2.281 50 0 BEAARN C[C@H](O)[C@H](C)SCc1nccn1C(F)F ZINC000096430308 177013360 /nfs/dbraw/zinc/01/33/60/177013360.db2.gz BFGLPRYCFJTQGJ-BQBZGAKWSA-N 0 0 236.287 2.281 50 0 BEAARN C[C@H](O)c1c(Cl)nc2sccn21 ZINC000071372300 177015521 /nfs/dbraw/zinc/01/55/21/177015521.db2.gz PNSGXXCGFMEHNT-BYPYZUCNSA-N 0 0 202.666 2.103 50 0 BEAARN C[C@H](O)c1nc2ccccc2n1C(F)F ZINC000003407879 177018588 /nfs/dbraw/zinc/01/85/88/177018588.db2.gz UOOOFUIKYLLQLE-LURJTMIESA-N 0 0 212.199 2.485 50 0 BEAARN C[C@H](OC1CCCCCC1)C(=O)N(C)C ZINC000089368705 177020638 /nfs/dbraw/zinc/02/06/38/177020638.db2.gz IHGYZWNBYGCSIP-JTQLQIEISA-N 0 0 213.321 2.203 50 0 BEAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC1 ZINC000012973780 177022263 /nfs/dbraw/zinc/02/22/63/177022263.db2.gz LBNVPAAUYPLUCG-VIFPVBQESA-N 0 0 239.702 2.340 50 0 BEAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC1 ZINC000005527777 177023182 /nfs/dbraw/zinc/02/31/82/177023182.db2.gz PZJKUTCCDWSEKP-QMMMGPOBSA-N 0 0 239.702 2.386 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)NCC(F)(F)F ZINC000013004211 177024178 /nfs/dbraw/zinc/02/41/78/177024178.db2.gz VEGWBYHSTUWCAM-QMMMGPOBSA-N 0 0 247.216 2.132 50 0 BEAARN C[C@H](S[C@@H](C)c1ccc(F)cc1)C(N)=O ZINC000045090879 177028382 /nfs/dbraw/zinc/02/83/82/177028382.db2.gz YREWRJBWCBBYPF-YUMQZZPRSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@H](c1ccccc1)N1C(=O)CN(C2CC2)C1=O ZINC000272030087 177038446 /nfs/dbraw/zinc/03/84/46/177038446.db2.gz DNOUPGSOQVAYPJ-SNVBAGLBSA-N 0 0 244.294 2.174 50 0 BEAARN C[C@H](c1ccco1)N(C)C(=O)C1CCOCC1 ZINC000071867151 177045930 /nfs/dbraw/zinc/04/59/30/177045930.db2.gz HQNWXPVWYMPIRO-SNVBAGLBSA-N 0 0 237.299 2.226 50 0 BEAARN C[C@H]1CCCCN1C(=O)c1ccnc(N(C)C)c1 ZINC000040088443 177074215 /nfs/dbraw/zinc/07/42/15/177074215.db2.gz MOVMAPLYZGGFCV-NSHDSACASA-N 0 0 247.342 2.162 50 0 BEAARN C[C@H]1CCCN(C(=O)Nc2cccnc2)C1 ZINC000024535531 177093234 /nfs/dbraw/zinc/09/32/34/177093234.db2.gz GTDJMJKDSOVCGW-JTQLQIEISA-N 0 0 219.288 2.345 50 0 BEAARN C[C@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 ZINC000082319262 177093334 /nfs/dbraw/zinc/09/33/34/177093334.db2.gz HUFAIJPLJDLZBQ-UWVGGRQHSA-N 0 0 213.346 2.141 50 0 BEAARN C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000029392 177103446 /nfs/dbraw/zinc/10/34/46/177103446.db2.gz YTXPKIULJSHENU-NSHDSACASA-N 0 0 239.340 2.107 50 0 BEAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccncc1 ZINC000012480520 177116223 /nfs/dbraw/zinc/11/62/23/177116223.db2.gz MUIZKOTWWDFSKR-PHIMTYICSA-N 0 0 218.300 2.485 50 0 BEAARN C[C@H]1CCc2[nH]nc(C(=O)NC3CCCC3)c2C1 ZINC000085951734 177208219 /nfs/dbraw/zinc/20/82/19/177208219.db2.gz INRQTIVCFDDBII-VIFPVBQESA-N 0 0 247.342 2.207 50 0 BEAARN C[C@H]1CCc2c(=O)[nH]c3ccccc3c2O1 ZINC000008579904 177209115 /nfs/dbraw/zinc/20/91/15/177209115.db2.gz GOUGXEZJGPPHNS-QMMMGPOBSA-N 0 0 215.252 2.242 50 0 BEAARN C[C@H]1CN(C(=O)CCc2ccccc2)C[C@H](C)O1 ZINC000000456657 177215325 /nfs/dbraw/zinc/21/53/25/177215325.db2.gz UMVAVRMPPPMAQU-STQMWFEESA-N 0 0 247.338 2.255 50 0 BEAARN C[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000019865022 177220133 /nfs/dbraw/zinc/22/01/33/177220133.db2.gz ROQZZFTXXKVCDE-PHIMTYICSA-N 0 0 240.347 2.138 50 0 BEAARN C[C@H]1CN(C(=O)c2cc[nH]c2)CCC1(F)F ZINC000290766628 177226290 /nfs/dbraw/zinc/22/62/90/177226290.db2.gz BLNWPHZMBMUZQT-QMMMGPOBSA-N 0 0 228.242 2.132 50 0 BEAARN C[C@@H]1CN(Cc2ccc(O)cc2)C[C@H](C)O1 ZINC000084857668 177263180 /nfs/dbraw/zinc/26/31/80/177263180.db2.gz FYVUJEYPFDGQLW-PHIMTYICSA-N 0 0 221.300 2.001 50 0 BEAARN C[C@H]1CN=C(Nc2ccccc2N)S1 ZINC000003103229 177282181 /nfs/dbraw/zinc/28/21/81/177282181.db2.gz FVWQMXXGNNZXCC-ZETCQYMHSA-N 0 0 207.302 2.172 50 0 BEAARN C[C@H]1COCCN1Cc1ccccc1F ZINC000046773894 177292673 /nfs/dbraw/zinc/29/26/73/177292673.db2.gz DELPCRJDHVFEEI-JTQLQIEISA-N 0 0 209.264 2.046 50 0 BEAARN C[C@H]1COCC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000170619052 177297072 /nfs/dbraw/zinc/29/70/72/177297072.db2.gz IOXLPTLEGXNZET-JOYOIKCWSA-N 0 0 231.299 2.400 50 0 BEAARN C[C@@H]1COC[C@H](C)N1C(=O)CSC(C)(C)C ZINC000098012936 177298318 /nfs/dbraw/zinc/29/83/18/177298318.db2.gz YWXFLDBTTFAXPN-AOOOYVTPSA-N 0 0 245.388 2.154 50 0 BEAARN C[C@@H]1CN(C(=O)CCc2ccccc2)[C@@H](C)CO1 ZINC000045445956 177301158 /nfs/dbraw/zinc/30/11/58/177301158.db2.gz HZLHZGMDFKMALW-QWHCGFSZSA-N 0 0 247.338 2.255 50 0 BEAARN C[C@H]1CSC(SCc2nccn2C)=N1 ZINC000155541785 177303216 /nfs/dbraw/zinc/30/32/16/177303216.db2.gz ZQXDSPAEPBQVKU-ZETCQYMHSA-N 0 0 227.358 2.145 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccn2)C1 ZINC000033023832 177311888 /nfs/dbraw/zinc/31/18/88/177311888.db2.gz PYDPTAHAJJXXDA-PHIMTYICSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)[O-])C1 ZINC000237543217 177338570 /nfs/dbraw/zinc/33/85/70/177338570.db2.gz HFCYYZNEMJZRDH-CABZTGNLSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N1CCc2ccccc21 ZINC000032999930 177340328 /nfs/dbraw/zinc/34/03/28/177340328.db2.gz VRHKNDXADWWYPA-ONGXEEELSA-N 0 0 201.269 2.232 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000252498571 177340332 /nfs/dbraw/zinc/34/03/32/177340332.db2.gz REZVQKPNDXSEGN-GWCFXTLKSA-N 0 0 242.322 2.483 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000025768062 177376710 /nfs/dbraw/zinc/37/67/10/177376710.db2.gz ZTPUEFLZJJXUPA-NKWVEPMBSA-N 0 0 222.313 2.226 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000026870920 177377040 /nfs/dbraw/zinc/37/70/40/177377040.db2.gz SBJOFOGALWNRTD-IONNQARKSA-N 0 0 215.256 2.157 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Oc1cccc(-n2ccnc2)c1 ZINC000071915238 177377772 /nfs/dbraw/zinc/37/77/72/177377772.db2.gz DXBMGLIRXIOWLC-GXFFZTMASA-N 0 0 242.278 2.434 50 0 BEAARN C[C@H]1Cn2c(COc3ccccc3)nnc2S1 ZINC000000108256 177392243 /nfs/dbraw/zinc/39/22/43/177392243.db2.gz ALZYDFCPRUUCNQ-VIFPVBQESA-N 0 0 247.323 2.351 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=S)NC2CC2)[C@H]1C ZINC000104272544 177425217 /nfs/dbraw/zinc/42/52/17/177425217.db2.gz FKBYCYJTJOSXCB-WCABBAIRSA-N 0 0 226.389 2.438 50 0 BEAARN Cc1c(C=O)c(C)c(C=O)c(C)c1C=O ZINC000036372994 177577841 /nfs/dbraw/zinc/57/78/41/177577841.db2.gz IBNLLMKGXOOWHH-UHFFFAOYSA-N 0 0 204.225 2.049 50 0 BEAARN OCCc1cnc(Cl)c(Br)c1 ZINC000498050908 226330290 /nfs/dbraw/zinc/33/02/90/226330290.db2.gz MREJXGNTVANSDA-UHFFFAOYSA-N 0 0 236.496 2.032 50 0 BEAARN CSC1=N[C@@]2(C[C@@H]2c2ccccc2)C(=O)N1C ZINC000000356691 229353196 /nfs/dbraw/zinc/35/31/96/229353196.db2.gz UFKUQROJBMEUTQ-ZWNOBZJWSA-N 0 0 246.335 2.104 50 0 BEAARN OCC1(COc2ccc(Cl)cc2)CC1 ZINC000575442093 487683582 /nfs/dbraw/zinc/68/35/82/487683582.db2.gz HCTAJIUWPVRANS-UHFFFAOYSA-N 0 0 212.676 2.491 50 0 BEAARN Cc1cc(CN2CCO[C@H]3CCCC[C@H]32)no1 ZINC000245285843 487692356 /nfs/dbraw/zinc/69/23/56/487692356.db2.gz YZNQZLISJYICKU-OLZOCXBDSA-N 0 0 236.315 2.126 50 0 BEAARN Cc1noc(NCc2ccccc2C)n1 ZINC000095976660 487775834 /nfs/dbraw/zinc/77/58/34/487775834.db2.gz CPAJIWIVPJWODM-UHFFFAOYSA-N 0 0 203.245 2.299 50 0 BEAARN CON(C)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000070153383 487791402 /nfs/dbraw/zinc/79/14/02/487791402.db2.gz VFYQAVXEGGXXQE-UHFFFAOYSA-N 0 0 249.188 2.219 50 0 BEAARN CNC(=O)c1cccc(Oc2nccs2)c1 ZINC000089391977 487804387 /nfs/dbraw/zinc/80/43/87/487804387.db2.gz NXLOLSFOUZHQQZ-UHFFFAOYSA-N 0 0 234.280 2.295 50 0 BEAARN Cc1ccc(CN(C)[C@@H]2C[C@@H](C)OC2=O)cc1 ZINC000107569430 487818241 /nfs/dbraw/zinc/81/82/41/487818241.db2.gz JGXXCINWJJLPKY-DGCLKSJQSA-N 0 0 233.311 2.131 50 0 BEAARN Cc1ccccc1CN(C)[C@@H]1C[C@@H](C)OC1=O ZINC000107569417 487818984 /nfs/dbraw/zinc/81/89/84/487818984.db2.gz UTEPJJPZARQIRX-DGCLKSJQSA-N 0 0 233.311 2.131 50 0 BEAARN C[C@H](C(=O)NC[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000097097332 487829068 /nfs/dbraw/zinc/82/90/68/487829068.db2.gz FOQYHWQHPGHJLH-YUTCNCBUSA-N 0 0 247.338 2.067 50 0 BEAARN O=C(Nc1ccncc1F)C1=CCCC1 ZINC000096007549 322948739 /nfs/dbraw/zinc/94/87/39/322948739.db2.gz YDMXCEILACAGEU-UHFFFAOYSA-N 0 0 206.220 2.270 50 0 BEAARN COc1ccc(C(=O)N(C)C2CCCC2)cn1 ZINC000053643515 487857497 /nfs/dbraw/zinc/85/74/97/487857497.db2.gz CXOSAJXNJJVQCU-UHFFFAOYSA-N 0 0 234.299 2.105 50 0 BEAARN CC(C)NC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000048922595 487935260 /nfs/dbraw/zinc/93/52/60/487935260.db2.gz SMMATNCUTLANGJ-GFCCVEGCSA-N 0 0 233.315 2.337 50 0 BEAARN C[C@@H](Cn1cccn1)OC(=O)c1cccs1 ZINC000083798600 487936355 /nfs/dbraw/zinc/93/63/55/487936355.db2.gz VIUQGXWZXLZDDW-VIFPVBQESA-N 0 0 236.296 2.190 50 0 BEAARN CS[C@H]1CC[C@H](N(C)CC(F)F)C1 ZINC000083859017 487951643 /nfs/dbraw/zinc/95/16/43/487951643.db2.gz HLOKHFJNNISLEQ-YUMQZZPRSA-N 0 0 209.305 2.467 50 0 BEAARN O=C(NC1CC1)c1ccnc(-c2ccoc2)c1 ZINC000534641504 323157311 /nfs/dbraw/zinc/15/73/11/323157311.db2.gz LSCPRQXINMXHOO-UHFFFAOYSA-N 0 0 228.251 2.234 50 0 BEAARN CC(C)c1ccc(NC[C@H]2CC2(C)C)nn1 ZINC000534673163 323159002 /nfs/dbraw/zinc/15/90/02/323159002.db2.gz UOVDRGVXUBHAJG-SNVBAGLBSA-N 0 0 219.332 2.480 50 0 BEAARN COC(=O)CCC/C=C\CCCC(=O)OC ZINC000013433860 323235770 /nfs/dbraw/zinc/23/57/70/323235770.db2.gz RFRTVPVKOZRMOB-ARJAWSKDSA-N 0 0 228.288 2.229 50 0 BEAARN CCOC(=O)[C@@H]1CCCc2ccccc2[C@H]1O ZINC000043198972 323236732 /nfs/dbraw/zinc/23/67/32/323236732.db2.gz XMLSLHNKCHYIOP-CHWSQXEVSA-N 0 0 234.295 2.236 50 0 BEAARN CC(C)(C)OC(=O)NCC(C)(C)CCCO ZINC000144034901 323238432 /nfs/dbraw/zinc/23/84/32/323238432.db2.gz LPPYGSUGORCTBP-UHFFFAOYSA-N 0 0 231.336 2.310 50 0 BEAARN CCC(NC(=O)c1ccn(C)n1)(C1CC1)C1CC1 ZINC000529793293 324400340 /nfs/dbraw/zinc/40/03/40/324400340.db2.gz QDSUSJFALSLLCT-UHFFFAOYSA-N 0 0 247.342 2.119 50 0 BEAARN Cc1nc(Cn2ccnc2)nc2ccccc12 ZINC000071886819 325101553 /nfs/dbraw/zinc/10/15/53/325101553.db2.gz DPHHVZZCTFWLOF-UHFFFAOYSA-N 0 0 224.267 2.183 50 0 BEAARN Cc1nnc(CN[C@H](C)c2cnccc2C)s1 ZINC000543739628 325107055 /nfs/dbraw/zinc/10/70/55/325107055.db2.gz JHVMWTUDWVEWHM-SECBINFHSA-N 0 0 248.355 2.401 50 0 BEAARN O=C(c1ccccc1)N1Cc2cccnc2C1 ZINC000555536217 325760659 /nfs/dbraw/zinc/76/06/59/325760659.db2.gz ADMQONNKSPZYCL-UHFFFAOYSA-N 0 0 224.263 2.238 50 0 BEAARN CC[C@@H](C)[C@H](CO)Nc1ncccc1F ZINC000084487539 488053681 /nfs/dbraw/zinc/05/36/81/488053681.db2.gz CXGLKRWJIIHZHE-SCZZXKLOSA-N 0 0 212.268 2.040 50 0 BEAARN OCCCN(Cc1cccnc1)c1ccccc1 ZINC000084549142 488062961 /nfs/dbraw/zinc/06/29/61/488062961.db2.gz TYHHHPMNNHPSKX-UHFFFAOYSA-N 0 0 242.322 2.471 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCc1cccc(N(C)C)c1 ZINC000084686920 488080251 /nfs/dbraw/zinc/08/02/51/488080251.db2.gz BHOUCIBMVXXFAC-GWCFXTLKSA-N 0 0 232.327 2.025 50 0 BEAARN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C2CC2)o1 ZINC000084688986 488081435 /nfs/dbraw/zinc/08/14/35/488081435.db2.gz IQMZEYDKCVLGQZ-KCJUWKMLSA-N 0 0 219.284 2.429 50 0 BEAARN CCCOc1ccc(Cn2cncn2)cc1 ZINC000092284232 488087781 /nfs/dbraw/zinc/08/77/81/488087781.db2.gz RSHBPDCPISTSJP-UHFFFAOYSA-N 0 0 217.272 2.115 50 0 BEAARN CCCC[C@H](CC)CNC(=O)N[C@H](CC)CO ZINC000084742945 488090360 /nfs/dbraw/zinc/09/03/60/488090360.db2.gz LUCJWJGLCCSFHO-NWDGAFQWSA-N 0 0 244.379 2.273 50 0 BEAARN CCCC1(CNC(=O)[C@@H](C)OC)CCC1 ZINC000084740545 488090443 /nfs/dbraw/zinc/09/04/43/488090443.db2.gz OUDIYOULXWPCHA-SNVBAGLBSA-N 0 0 213.321 2.108 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)c(N(C)C)c1 ZINC000084793844 488098491 /nfs/dbraw/zinc/09/84/91/488098491.db2.gz LHEBBWJRBSZEOZ-WCQYABFASA-N 0 0 246.354 2.333 50 0 BEAARN CCOC(=O)c1cc2c(o1)CN=C(SC)C2 ZINC000670421536 487472518 /nfs/dbraw/zinc/47/25/18/487472518.db2.gz WHXOZHKAEBEXQL-UHFFFAOYSA-N 0 0 239.296 2.274 50 0 BEAARN CCOc1cc(CC[C@@H](C)O)ccc1O ZINC000062153405 487495259 /nfs/dbraw/zinc/49/52/59/487495259.db2.gz URXXRBYISKXBBJ-SECBINFHSA-N 0 0 210.273 2.104 50 0 BEAARN CC[C@@H](NC(=O)c1ccon1)c1cccc(C)n1 ZINC000670447691 487498281 /nfs/dbraw/zinc/49/82/81/487498281.db2.gz ZROAOVJBYLZTBS-SNVBAGLBSA-N 0 0 245.282 2.259 50 0 BEAARN Cc1nc(-c2ccccc2F)n(CC(C)(C)O)n1 ZINC000670461961 487516204 /nfs/dbraw/zinc/51/62/04/487516204.db2.gz BFOQCXJIYNRPJH-UHFFFAOYSA-N 0 0 249.289 2.164 50 0 BEAARN CCC1(CC)NC(=O)N(Cc2ccccc2)C1=O ZINC000004308289 488147324 /nfs/dbraw/zinc/14/73/24/488147324.db2.gz KBIRLWGLAPABBZ-UHFFFAOYSA-N 0 0 246.310 2.297 50 0 BEAARN CCN(CC)C(=O)c1cccc(C)c1N ZINC000021956501 488151683 /nfs/dbraw/zinc/15/16/83/488151683.db2.gz RAYYWNXYTQBQGF-UHFFFAOYSA-N 0 0 206.289 2.059 50 0 BEAARN COC[C@H](C)Nc1cccc(Cn2cccn2)c1 ZINC000053174294 488167435 /nfs/dbraw/zinc/16/74/35/488167435.db2.gz YKEXLMDTJCWFMZ-LBPRGKRZSA-N 0 0 245.326 2.378 50 0 BEAARN CNc1nnc(SCc2nccs2)s1 ZINC000179019298 488208801 /nfs/dbraw/zinc/20/88/01/488208801.db2.gz JLFXNUZTQCUCNZ-UHFFFAOYSA-N 0 0 244.370 2.329 50 0 BEAARN Cc1ncnc2c1CC(=O)N2CC1CCCCC1 ZINC000065289151 490059378 /nfs/dbraw/zinc/05/93/78/490059378.db2.gz HWAWXYQPMITNNE-UHFFFAOYSA-N 0 0 245.326 2.254 50 0 BEAARN O=c1[nH]c2cc(Cl)ccc2n2cccc12 ZINC000039019251 490115845 /nfs/dbraw/zinc/11/58/45/490115845.db2.gz DTNRHZBYFDOVFJ-UHFFFAOYSA-N 0 0 218.643 2.434 50 0 BEAARN CC[C@H](O)Cn1nc(C(C)C)nc1C1CCC1 ZINC000670458869 490299377 /nfs/dbraw/zinc/29/93/77/490299377.db2.gz IHJPIYBUJQMYQD-NSHDSACASA-N 0 0 237.347 2.440 50 0 BEAARN CC[C@H](COC)Nc1ccc([S@](C)=O)cc1 ZINC000097101626 490317447 /nfs/dbraw/zinc/31/74/47/490317447.db2.gz CVHCIELERLTZPJ-QLJPJBMISA-N 0 0 241.356 2.261 50 0 BEAARN COC(=O)[C@H](NCc1occc1C)C(C)(C)C ZINC000097162283 490326233 /nfs/dbraw/zinc/32/62/33/490326233.db2.gz MXRKSJSMPOHDGN-NSHDSACASA-N 0 0 239.315 2.265 50 0 BEAARN COC[C@H](C)Nc1cccc(-c2noc(C)n2)c1 ZINC000097162434 490326276 /nfs/dbraw/zinc/32/62/76/490326276.db2.gz UTRXUJOGZRORMT-VIFPVBQESA-N 0 0 247.298 2.492 50 0 BEAARN Cc1noc(C)c1NCc1ccc(C(N)=O)cc1 ZINC000084025595 490363180 /nfs/dbraw/zinc/36/31/80/490363180.db2.gz BYJCEGDZYHQJDI-UHFFFAOYSA-N 0 0 245.282 2.002 50 0 BEAARN CCOc1ncc(C(F)(F)F)cc1O ZINC000261494163 491106928 /nfs/dbraw/zinc/10/69/28/491106928.db2.gz RHQFJIYRNITNAJ-UHFFFAOYSA-N 0 0 207.151 2.205 50 0 BEAARN COC(=O)c1cc(O)c(F)cc1Br ZINC000072137448 491122335 /nfs/dbraw/zinc/12/23/35/491122335.db2.gz HJSONSUAHMBJMA-UHFFFAOYSA-N 0 0 249.035 2.080 50 0 BEAARN COc1cc(N2C[C@@H]3CC(C)=CC[C@@H]3C2)ncn1 ZINC000072134288 491122385 /nfs/dbraw/zinc/12/23/85/491122385.db2.gz TUJBWFVJCDWXKQ-NEPJUHHUSA-N 0 0 245.326 2.278 50 0 BEAARN Cc1csc(NC(=O)c2cc(C)on2)n1 ZINC000003359486 518192066 /nfs/dbraw/zinc/19/20/66/518192066.db2.gz YSYHZYFGSDLXEI-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN Cc1csc(S[C@@H]2C[C@@H](C)OC2=O)n1 ZINC000040462986 518192132 /nfs/dbraw/zinc/19/21/32/518192132.db2.gz WESVSHWUCCCNND-RNFRBKRXSA-N 0 0 229.326 2.248 50 0 BEAARN O=C(Oc1ccccn1)Oc1ccccn1 ZINC000002556815 518201716 /nfs/dbraw/zinc/20/17/16/518201716.db2.gz GCSAXWHQFYOIFE-UHFFFAOYSA-N 0 0 216.196 2.054 50 0 BEAARN CC(C)(C)[C@@H](O)CCNC(=O)CC1CCCC1 ZINC000075157714 518931841 /nfs/dbraw/zinc/93/18/41/518931841.db2.gz BXQATWLZHRGGPD-LBPRGKRZSA-N 0 0 241.375 2.480 50 0 BEAARN CC(=O)/N=c1\scc(-c2ccccc2)n1C ZINC000012341574 519355943 /nfs/dbraw/zinc/35/59/43/519355943.db2.gz QKVZHEBXQZDKHX-SEYXRHQNSA-N 0 0 232.308 2.201 50 0 BEAARN CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2C(=O)NC(=O)[C@H]21 ZINC000252694807 519443462 /nfs/dbraw/zinc/44/34/62/519443462.db2.gz QIHKOLSLJMRHDJ-USZNOCQGSA-N 0 0 233.311 2.054 50 0 biogenic BEAARN CC(C)Cc1nc(CS[C@@H](C)CCO)no1 ZINC000071922084 519459201 /nfs/dbraw/zinc/45/92/01/519459201.db2.gz AMRXHCXEMQOYLT-VIFPVBQESA-N 0 0 244.360 2.272 50 0 BEAARN CC(C)CCC(=O)NC[C@H](O)Cc1ccccc1 ZINC000071856889 519636095 /nfs/dbraw/zinc/63/60/95/519636095.db2.gz SZCLATYVQAURHT-CQSZACIVSA-N 0 0 249.354 2.142 50 0 BEAARN CC1(CNC(=O)c2cccs2)CCOCC1 ZINC000227817895 520731066 /nfs/dbraw/zinc/73/10/66/520731066.db2.gz NZXZRSQAIUGYKO-UHFFFAOYSA-N 0 0 239.340 2.295 50 0 BEAARN CCCC[C@H](CC)CNC(=O)N1CCOCC1 ZINC000002727428 521174240 /nfs/dbraw/zinc/17/42/40/521174240.db2.gz KAPKTXGOUPZXBX-LBPRGKRZSA-N 0 0 242.363 2.245 50 0 BEAARN CCC(CC)c1nc(CN2CCCC2=O)no1 ZINC000072329946 521635313 /nfs/dbraw/zinc/63/53/13/521635313.db2.gz RCUNXAHUSABLNJ-UHFFFAOYSA-N 0 0 237.303 2.096 50 0 BEAARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(C)cc1 ZINC000057487351 522168891 /nfs/dbraw/zinc/16/88/91/522168891.db2.gz OYWSNOYNXMRZMA-LLVKDONJSA-N 0 0 249.310 2.067 50 0 BEAARN COc1cc(N)ccc1C(=O)OC(C)(C)C ZINC000089065113 522624807 /nfs/dbraw/zinc/62/48/07/522624807.db2.gz BZXSOMGDXLCMQF-UHFFFAOYSA-N 0 0 223.272 2.233 50 0 BEAARN COC(=O)C1=C(O)CC[C@@H](C(C)(C)C)C1 ZINC000084199440 523988262 /nfs/dbraw/zinc/98/82/62/523988262.db2.gz VIIDTQNSMYMAIY-BDAKNGLRSA-N 0 0 212.289 2.191 50 0 BEAARN Cc1cc(CN(C)CCCn2ccnc2C)no1 ZINC000089604750 524661512 /nfs/dbraw/zinc/66/15/12/524661512.db2.gz WDDVDTXXFDJAOK-UHFFFAOYSA-N 0 0 248.330 2.010 50 0 BEAARN CC(=O)c1cc(F)c(N2CCOCC2)cc1C ZINC000000051640 534820582 /nfs/dbraw/zinc/82/05/82/534820582.db2.gz QGQQHHNPPBEZLN-UHFFFAOYSA-N 0 0 237.274 2.173 50 0 BEAARN Cc1ccccc1OCCN(C)Cc1ncc[nH]1 ZINC000069774639 525296383 /nfs/dbraw/zinc/29/63/83/525296383.db2.gz FMVYJQGJGOYOHO-UHFFFAOYSA-N 0 0 245.326 2.229 50 0 BEAARN O=C(C1CCC1)N1CC[C@H](Oc2ccccc2)C1 ZINC000257177876 526294666 /nfs/dbraw/zinc/29/46/66/526294666.db2.gz FLTGLMRMDQWKMU-AWEZNQCLSA-N 0 0 245.322 2.466 50 0 BEAARN Cc1nnc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 ZINC000252515703 526374429 /nfs/dbraw/zinc/37/44/29/526374429.db2.gz MWSGBHJPUIVVKW-IWSPIJDZSA-N 0 0 239.344 2.072 50 0 BEAARN O=c1[nH]c2ccccc2n1CN1CCCCC1 ZINC000334163519 526379785 /nfs/dbraw/zinc/37/97/85/526379785.db2.gz VOFYTTFUTQLPCA-UHFFFAOYSA-N 0 0 231.299 2.185 50 0 BEAARN CN1CCOc2cc(Br)ccc21 ZINC000004272069 536446268 /nfs/dbraw/zinc/44/62/68/536446268.db2.gz MQMFOFZKZBLSAB-UHFFFAOYSA-N 0 0 228.089 2.278 50 0 BEAARN CC(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000007986272 526525351 /nfs/dbraw/zinc/52/53/51/526525351.db2.gz BRVDNGAEPQQJOY-UHFFFAOYSA-N 0 0 217.268 2.028 50 0 BEAARN O=C(CCc1ccsc1)NCc1cccnc1 ZINC000025132951 526633928 /nfs/dbraw/zinc/63/39/28/526633928.db2.gz ILXCIIGFMPDOKL-UHFFFAOYSA-N 0 0 246.335 2.392 50 0 BEAARN COC(=O)CCc1csc(CC(C)C)n1 ZINC000234572083 536462018 /nfs/dbraw/zinc/46/20/18/536462018.db2.gz AZMOOZGJMMDCQG-UHFFFAOYSA-N 0 0 227.329 2.447 50 0 BEAARN O=C(CSCc1ccco1)NCC1CCC1 ZINC000071916015 527027099 /nfs/dbraw/zinc/02/70/99/527027099.db2.gz RYZNYZPFACOWFZ-UHFFFAOYSA-N 0 0 239.340 2.429 50 0 BEAARN OC[C@@H](O)c1cccc(Cl)c1Cl ZINC000095532614 527585351 /nfs/dbraw/zinc/58/53/51/527585351.db2.gz SIDJPCNXLFFGDH-SSDOTTSWSA-N 0 0 207.056 2.019 50 0 BEAARN CCC(C)(C)CC[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000261582721 535351548 /nfs/dbraw/zinc/35/15/48/535351548.db2.gz OOWCGFGBTZLISH-SNVBAGLBSA-N 0 0 213.321 2.219 50 0 BEAARN CCn1cc(CN2CCOc3ccccc32)cn1 ZINC000097058975 536056685 /nfs/dbraw/zinc/05/66/85/536056685.db2.gz QURCUQHEFMDOAD-UHFFFAOYSA-N 0 0 243.310 2.302 50 0 BEAARN CC[C@H](C(=O)[O-])[NH+]1CCC(C(F)(F)F)CC1 ZINC000083889897 536098089 /nfs/dbraw/zinc/09/80/89/536098089.db2.gz CJBTXTSEKIZQIU-MRVPVSSYSA-N 0 0 239.237 2.124 50 0 BEAARN CC[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000000030418 536109830 /nfs/dbraw/zinc/10/98/30/536109830.db2.gz GPNXDVXGUVXYLI-ZDUSSCGKSA-N 0 0 246.354 2.381 50 0 BEAARN Cc1nc(C(F)(F)F)ccc1-c1nnco1 ZINC000169804842 566334801 /nfs/dbraw/zinc/33/48/01/566334801.db2.gz WEAQPGABMCTUKP-UHFFFAOYSA-N 0 0 229.161 2.459 50 0 BEAARN C1CC1c1noc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000098019117 566473436 /nfs/dbraw/zinc/47/34/36/566473436.db2.gz QXNIGHYTTLBUKF-NXEZZACHSA-N 0 0 219.288 2.183 50 0 BEAARN C=CC(=O)Nc1nsc2ccccc21 ZINC000147000691 583109849 /nfs/dbraw/zinc/10/98/49/583109849.db2.gz QMHDHMMVFNWJAH-UHFFFAOYSA-N 0 0 204.254 2.421 50 0 BEAARN CC(C)(C)C(=O)c1nc(C2OCCO2)cs1 ZINC000757123738 582498261 /nfs/dbraw/zinc/49/82/61/582498261.db2.gz JSKLIQDXQMSMHS-UHFFFAOYSA-N 0 0 241.312 2.417 50 0 BEAARN O=C(c1nc(C2OCCO2)cs1)C1CCC1 ZINC000757122995 582498483 /nfs/dbraw/zinc/49/84/83/582498483.db2.gz HRDMXUPGDPAFEQ-UHFFFAOYSA-N 0 0 239.296 2.171 50 0 BEAARN Cc1ccc(Cl)cc1[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757193420 582557479 /nfs/dbraw/zinc/55/74/79/582557479.db2.gz PBROJHRCSVDVLL-QWRGUYRKSA-N 0 0 239.702 2.036 50 0 BEAARN C=CC(=O)Nc1cnn(C(C)C)c1C1CC1 ZINC000888098999 583181229 /nfs/dbraw/zinc/18/12/29/583181229.db2.gz ZXPKDUYXTQEHHL-UHFFFAOYSA-N 0 0 219.288 2.466 50 0 BEAARN C=CC(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000848979276 588423329 /nfs/dbraw/zinc/42/33/29/588423329.db2.gz SIIAIULXXQPGLK-LLVKDONJSA-N 0 0 231.295 2.197 50 0 BEAARN C=CC(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000848979327 588423339 /nfs/dbraw/zinc/42/33/39/588423339.db2.gz UEKLPVWGMSCUFM-LLVKDONJSA-N 0 0 228.295 2.188 50 0 BEAARN C=CC(=O)N1CCSC2(CCC2)CC1 ZINC000863970198 589329997 /nfs/dbraw/zinc/32/99/97/589329997.db2.gz DTJAGYOFWWONBV-UHFFFAOYSA-N 0 0 211.330 2.061 50 0 BEAARN C=CC(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000863971058 589330159 /nfs/dbraw/zinc/33/01/59/589330159.db2.gz DCYNGHMRYKCEFR-SNVBAGLBSA-N 0 0 233.286 2.500 50 0 BEAARN C=CC(=O)Nc1ccc2nc(OC)sc2c1 ZINC000863971034 589330389 /nfs/dbraw/zinc/33/03/89/589330389.db2.gz BYEJSBJVYDIWAB-UHFFFAOYSA-N 0 0 234.280 2.429 50 0 BEAARN C=CC(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000863971085 589330409 /nfs/dbraw/zinc/33/04/09/589330409.db2.gz DRXUXIPEWKOBDK-ZDUSSCGKSA-N 0 0 216.284 2.225 50 0 BEAARN CC[C@@H](SC)c1nc(Cc2cn[nH]c2)no1 ZINC000864096830 589344772 /nfs/dbraw/zinc/34/47/72/589344772.db2.gz JORDULLHPFKEFG-MRVPVSSYSA-N 0 0 238.316 2.198 50 0 BEAARN Cc1cc(C)n(-c2ccc(F)cc2C=O)n1 ZINC000020417680 590108131 /nfs/dbraw/zinc/10/81/31/590108131.db2.gz FEVOGDZCLKWFLH-UHFFFAOYSA-N 0 0 218.231 2.441 50 0 BEAARN C[N@H+](C1CC(C(=O)[O-])C1)C1CCCCC1 ZINC000260042396 635295893 /nfs/dbraw/zinc/29/58/93/635295893.db2.gz MBOUEDTVKNZBIC-UHFFFAOYSA-N 0 0 211.305 2.114 50 0 BEAARN CCOc1cccc(CS[C@@H](C)CO)n1 ZINC000097085507 631264740 /nfs/dbraw/zinc/26/47/40/631264740.db2.gz HHEDEAIDWVXIDA-VIFPVBQESA-N 0 0 227.329 2.094 50 0 BEAARN CCO[C@@H](CC)C(=O)Nc1ccc(O)cc1F ZINC000097098043 631267416 /nfs/dbraw/zinc/26/74/16/631267416.db2.gz AZYXRFQZTNERGD-NSHDSACASA-N 0 0 241.262 2.285 50 0 BEAARN c1cc2ncc(-c3ccc4c(c3)CCN4)cn2n1 ZINC000888095767 635367285 /nfs/dbraw/zinc/36/72/85/635367285.db2.gz GFQBFONFUNEFCD-UHFFFAOYSA-N 0 0 236.278 2.364 50 0 BEAARN C=CC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000888098553 635376296 /nfs/dbraw/zinc/37/62/96/635376296.db2.gz KJIGCOJYPWFVCE-UHFFFAOYSA-N 0 0 243.306 2.267 50 0 BEAARN CC(=O)[C@@H]1COc2c(ccc(F)c2F)C1 ZINC000675063547 640956342 /nfs/dbraw/zinc/95/63/42/640956342.db2.gz HUPFMQHKDLKRNH-QMMMGPOBSA-N 0 0 212.195 2.105 50 0 BEAARN Cc1cc(-c2ccccc2N(C)C)nc(N)n1 ZINC000032553376 641370524 /nfs/dbraw/zinc/37/05/24/641370524.db2.gz CFYKPBXGRROARN-UHFFFAOYSA-N 0 0 228.299 2.100 50 0 BEAARN CC[C@@H](C)C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432833 641564436 /nfs/dbraw/zinc/56/44/36/641564436.db2.gz SMPOLFVHBCTPIZ-NXEZZACHSA-N 0 0 201.310 2.121 50 0 BEAARN Cc1nc(/C=C\C(=O)N[C@@H](C)C2CC2)cs1 ZINC000048557013 641691806 /nfs/dbraw/zinc/69/18/06/641691806.db2.gz AVHSTTRNMOTGNT-SLGIHZDVSA-N 0 0 236.340 2.379 50 0 BEAARN CC1(C)CC(=O)N(c2ccccc2)[C@]1(C)O ZINC000000458253 642781145 /nfs/dbraw/zinc/78/11/45/642781145.db2.gz AXIKNJITIHUEMD-CYBMUJFWSA-N 0 0 219.284 2.158 50 0 BEAARN C/C=C/C=C(/NC(=O)c1ccccc1)C(=O)OC ZINC000016671513 642980568 /nfs/dbraw/zinc/98/05/68/642980568.db2.gz AMMPNXUCQQSXSE-QMAXVLQRSA-N 0 0 245.278 2.049 50 0 BEAARN CC(C)(C)c1ccc([C@@H]([NH3+])C(=O)[O-])s1 ZINC000000191918 643073413 /nfs/dbraw/zinc/07/34/13/643073413.db2.gz XBWDLTVOXPCHEE-MRVPVSSYSA-N 0 0 213.302 2.130 50 0 BEAARN COc1ccccc1OCCCn1ccnc1 ZINC000002497211 643666095 /nfs/dbraw/zinc/66/60/95/643666095.db2.gz COBDMVDDVIZGCK-UHFFFAOYSA-N 0 0 232.283 2.361 50 0 BEAARN CCC[C@@H](C(=O)Nc1ccncc1)n1cccc1 ZINC000952963694 643778275 /nfs/dbraw/zinc/77/82/75/643778275.db2.gz XOZYJEBAWJTKRX-ZDUSSCGKSA-N 0 0 243.310 2.285 50 0 BEAARN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CC[NH2+]1 ZINC000074148205 644271579 /nfs/dbraw/zinc/27/15/79/644271579.db2.gz HRHIKSLSMMWSSH-MNOVXSKESA-N 0 0 211.305 2.020 50 0 BEAARN CCN(CC1CCOCC1)C(=O)[C@@H]1CC1(C)C ZINC000952966717 644447095 /nfs/dbraw/zinc/44/70/95/644447095.db2.gz DURIFJGXTCLLHX-LBPRGKRZSA-N 0 0 239.359 2.308 50 0 BEAARN Cn1c2ncnc(N)c2c2c(c1=S)CCCC2 ZINC000000472316 645127384 /nfs/dbraw/zinc/12/73/84/645127384.db2.gz XFXZNHVPWPLQFV-UHFFFAOYSA-N 0 0 246.339 2.159 50 0 BEAARN C/C=C/COC(=O)c1ccc2c(c1)CCO2 ZINC000084136270 711810918 /nfs/dbraw/zinc/81/09/18/711810918.db2.gz GVCXFRMWOWCBKS-NSCUHMNNSA-N 0 0 218.252 2.354 50 0 BEAARN CCc1ccccc1NC(=O)C1CC(=O)C1 ZINC000095451411 711976329 /nfs/dbraw/zinc/97/63/29/711976329.db2.gz ZHEWHQZOOXJGFO-UHFFFAOYSA-N 0 0 217.268 2.167 50 0 BEAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCCC1=O ZINC000065424186 712392459 /nfs/dbraw/zinc/39/24/59/712392459.db2.gz NIUFSJSYGGUULX-MRVPVSSYSA-N 0 0 237.303 2.051 50 0 BEAARN CC[C@H](C[C@H](C)CO)Nc1cncc(Cl)n1 ZINC000076084090 711659448 /nfs/dbraw/zinc/65/94/48/711659448.db2.gz JHMSHMTTZASCRA-DTWKUNHWSA-N 0 0 243.738 2.339 50 0 BEAARN CC(C)(C)CCCC[C@@H]([NH3+])CC(=O)[O-] ZINC000005024339 711740646 /nfs/dbraw/zinc/74/06/46/711740646.db2.gz AWXMJIJCNMZZGZ-SECBINFHSA-N 0 0 201.310 2.395 50 0 BEAARN c1nncn1-c1ccccc1Oc1cccnc1 ZINC000065395254 712391072 /nfs/dbraw/zinc/39/10/72/712391072.db2.gz UWKCDLRBMOTXJO-UHFFFAOYSA-N 0 0 238.250 2.455 50 0 BEAARN CCc1ccc(CNCc2cnn(CC)n2)cc1 ZINC000838918693 712694131 /nfs/dbraw/zinc/69/41/31/712694131.db2.gz UMIWMGXCXNJYPD-UHFFFAOYSA-N 0 0 244.342 2.150 50 0 BEAARN COC(=O)C1CC(Sc2cccc(O)c2)C1 ZINC000585079529 961847822 /nfs/dbraw/zinc/84/78/22/961847822.db2.gz SAUNAUNHPXLNGR-UHFFFAOYSA-N 0 0 238.308 2.436 50 0 BEAARN O[C@H](c1ccc2c(c1)CCO2)C(F)(F)F ZINC000040245476 1165746316 /nfs/dbraw/zinc/74/63/16/1165746316.db2.gz XPYRQYDOYDXEGZ-SECBINFHSA-N 0 0 218.174 2.217 50 0 BEAARN O=C1Cc2c3ccccc3[nH]c2[C@@H]2CCCN12 ZINC000142115061 1165839671 /nfs/dbraw/zinc/83/96/71/1165839671.db2.gz SHTBAJOQBOUDKP-LBPRGKRZSA-N 0 0 226.279 2.388 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@H]2C1 ZINC000204151317 1166551650 /nfs/dbraw/zinc/55/16/50/1166551650.db2.gz HPFKVUIIKVASNH-NXEZZACHSA-N 0 0 227.304 2.032 50 0 BEAARN COC(=O)CCC/C=C/CCCC(=O)OC ZINC000013433855 1166623255 /nfs/dbraw/zinc/62/32/55/1166623255.db2.gz RFRTVPVKOZRMOB-ONEGZZNKSA-N 0 0 228.288 2.229 50 0 BEAARN Cc1ccnc(-c2nccc(C)c2O)c1 ZINC000034286077 1167567485 /nfs/dbraw/zinc/56/74/85/1167567485.db2.gz NXRMIHXTXPXGME-UHFFFAOYSA-N 0 0 200.241 2.466 50 0 BEAARN C=CC(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404820018 971182421 /nfs/dbraw/zinc/18/24/21/971182421.db2.gz DCQUFSJYWHYDIN-NSHDSACASA-N 0 0 215.296 2.361 50 0 BEAARN C[C@@H]1[C@@H](C)CN1C(=O)Nc1ccc(F)cn1 ZINC000585086483 972123261 /nfs/dbraw/zinc/12/32/61/972123261.db2.gz NHKABYGOLKHDMH-JGVFFNPUSA-N 0 0 223.251 2.093 50 0 BEAARN Cc1cccc(NC(=O)N2C[C@@H](C)[C@@H]2C)n1 ZINC000585086436 972123330 /nfs/dbraw/zinc/12/33/30/972123330.db2.gz AIPWOUZMCUHLDG-SCZZXKLOSA-N 0 0 219.288 2.262 50 0 BEAARN CCn1nccc1/C=C(\C)c1ncccn1 ZINC000585086310 972123489 /nfs/dbraw/zinc/12/34/89/972123489.db2.gz SVPMRCNUGMFTSL-MDZDMXLPSA-N 0 0 214.272 2.254 50 0 BEAARN CCc1nsc(N2CCC=C(Cl)C2)n1 ZINC000585092615 972130933 /nfs/dbraw/zinc/13/09/33/972130933.db2.gz GYWGIGBNECSWAI-UHFFFAOYSA-N 0 0 229.736 2.433 50 0 BEAARN Cc1cc(N)nc(S[C@@H](C)C2CC2)n1 ZINC000585119108 972148695 /nfs/dbraw/zinc/14/86/95/972148695.db2.gz RCMVJHANIJZGJL-ZETCQYMHSA-N 0 0 209.318 2.088 50 0 BEAARN CSc1cncc(NC(=O)C(F)F)c1 ZINC000585125081 972157442 /nfs/dbraw/zinc/15/74/42/972157442.db2.gz FVSNVZPGXPXLHN-UHFFFAOYSA-N 0 0 218.228 2.007 50 0 BEAARN C=CC(=O)N[C@H]1CCC[C@H]1Cc1ccccn1 ZINC000585124816 972157559 /nfs/dbraw/zinc/15/75/59/972157559.db2.gz UHKQMHKRTYMCGZ-AAEUAGOBSA-N 0 0 230.311 2.095 50 0 BEAARN CCC(CC)(CO)c1nc(-c2ccncc2)no1 ZINC000585133821 972166862 /nfs/dbraw/zinc/16/68/62/972166862.db2.gz WNQWCTJBZRPJTB-UHFFFAOYSA-N 0 0 247.298 2.182 50 0 BEAARN O=C(c1ccno1)N1CC[C@@H](c2ccsc2)C1 ZINC000675008417 960432339 /nfs/dbraw/zinc/43/23/39/960432339.db2.gz XJJHIYNDFMXFFF-SECBINFHSA-N 0 0 248.307 2.366 50 0 BEAARN CC(C)n1cc(NC(=O)[C@@H](C)n2cccc2)cn1 ZINC000131988458 962353566 /nfs/dbraw/zinc/35/35/66/962353566.db2.gz RESOGFGGADRCKX-LLVKDONJSA-N 0 0 246.314 2.465 50 0 BEAARN COC(=O)c1cnc(/C=C/Br)s1 ZINC000685964882 968091490 /nfs/dbraw/zinc/09/14/90/968091490.db2.gz YIYANADQKJUGTH-NSCUHMNNSA-N 0 0 248.101 2.295 50 0 BEAARN CC[C@@H](OC)c1n[nH]c(COc2ccccc2)n1 ZINC000822650409 968529975 /nfs/dbraw/zinc/52/99/75/968529975.db2.gz WIGKUAVWCASMSC-LLVKDONJSA-N 0 0 247.298 2.481 50 0 BEAARN CCc1nc(-c2cn(CC)nc2C)n(CC)n1 ZINC000823592648 968550021 /nfs/dbraw/zinc/55/00/21/968550021.db2.gz ZGISMCPYSKVXCG-UHFFFAOYSA-N 0 0 233.319 2.052 50 0 BEAARN CCn1nccc1-c1nc(N(C)C)nc(C)c1C ZINC000823609602 968551644 /nfs/dbraw/zinc/55/16/44/968551644.db2.gz MTVRJPOOCOZSSO-UHFFFAOYSA-N 0 0 245.330 2.043 50 0 BEAARN Cc1nc2c([nH]1)CN(Cc1scnc1C)CC2 ZINC000825106315 968633023 /nfs/dbraw/zinc/63/30/23/968633023.db2.gz JMPUQMCGERYNKH-UHFFFAOYSA-N 0 0 248.355 2.041 50 0 BEAARN Cc1nc(CCCc2cn[nH]c2)n(C(C)(C)C)n1 ZINC000825292123 968640988 /nfs/dbraw/zinc/64/09/88/968640988.db2.gz RFTDCISEWWLSRJ-UHFFFAOYSA-N 0 0 247.346 2.240 50 0 BEAARN Cc1nccnc1OC1CCSCC1 ZINC000585652412 973915775 /nfs/dbraw/zinc/91/57/75/973915775.db2.gz ZOJHBSLKUVYJSY-UHFFFAOYSA-N 0 0 210.302 2.059 50 0 BEAARN Fc1cnc(OC2Cc3ccccc3C2)nc1 ZINC000585651442 973920152 /nfs/dbraw/zinc/92/01/52/973920152.db2.gz MYSGLQOLYMUPJZ-UHFFFAOYSA-N 0 0 230.242 2.162 50 0 BEAARN Cc1cccnc1OC[C@H]1CCCCO1 ZINC000585655146 973928944 /nfs/dbraw/zinc/92/89/44/973928944.db2.gz UVZAVLAVGLNPTC-LLVKDONJSA-N 0 0 207.273 2.338 50 0 BEAARN C=CC(=O)N(C)[C@H]1CCCc2nc(C)sc21 ZINC000952875961 974056978 /nfs/dbraw/zinc/05/69/78/974056978.db2.gz UDVVBYVXSMIXID-JTQLQIEISA-N 0 0 236.340 2.473 50 0 BEAARN C=CC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000952888264 974066012 /nfs/dbraw/zinc/06/60/12/974066012.db2.gz QLDQYFRDWHIUJN-GXSJLCMTSA-N 0 0 237.324 2.223 50 0 BEAARN CC[C@H]1C=CCN1C(=O)Cc1ccc(O)c(F)c1 ZINC001506401499 988773743 /nfs/dbraw/zinc/77/37/43/988773743.db2.gz ITWJHHWOQIENDH-NSHDSACASA-N 0 0 249.285 2.251 50 0 BEAARN CN(CC1(CO)CCCC1)c1ncccc1F ZINC001506406291 988774438 /nfs/dbraw/zinc/77/44/38/988774438.db2.gz GMWWCTUNDQUYIX-UHFFFAOYSA-N 0 0 238.306 2.210 50 0 BEAARN Cc1[nH]nc2c1CN(c1ccc(Cl)cn1)CC2 ZINC001506400908 988775159 /nfs/dbraw/zinc/77/51/59/988775159.db2.gz APQGGZLCKYDDNC-UHFFFAOYSA-N 0 0 248.717 2.329 50 0 BEAARN CCCC[C@H]1C=CCN1C(=O)c1ccc[nH]c1=O ZINC001506421324 988778670 /nfs/dbraw/zinc/77/86/70/988778670.db2.gz FHUSFAYDOYGJIT-NSHDSACASA-N 0 0 246.310 2.358 50 0 BEAARN CC(C)c1ccc(NCC2(CO)CCC2)nn1 ZINC001506416674 988779417 /nfs/dbraw/zinc/77/94/17/988779417.db2.gz DNBIZACDIPKRIT-UHFFFAOYSA-N 0 0 235.331 2.175 50 0 BEAARN CCC(CC)C[N@H+](C)Cc1nc(C(=O)[O-])co1 ZINC001529182777 990336125 /nfs/dbraw/zinc/33/61/25/990336125.db2.gz ZYTRADOZHIRYQZ-UHFFFAOYSA-N 0 0 240.303 2.241 50 0 BEAARN O=C([O-])C[NH2+]CCSc1ccc(Cl)cc1 ZINC000038418431 1171053530 /nfs/dbraw/zinc/05/35/30/1171053530.db2.gz SXVXVAPJICBEFD-UHFFFAOYSA-N 0 0 245.731 2.106 50 0 BEAARN Cc1cc(C)n(C[C@@H](O)c2ccccc2)n1 ZINC000000185780 177930289 /nfs/dbraw/zinc/93/02/89/177930289.db2.gz PXDHUDZWMXKFGB-CYBMUJFWSA-N 0 0 216.284 2.234 50 0 BEAARN Cc1cc(C)nc(NC[C@@H](O)c2ccsc2)n1 ZINC000218925366 177944422 /nfs/dbraw/zinc/94/44/22/177944422.db2.gz NOVXACYLTZQMPC-LLVKDONJSA-N 0 0 249.339 2.300 50 0 BEAARN C=CC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000036335058 343978892 /nfs/dbraw/zinc/97/88/92/343978892.db2.gz KROJMAHHTQCTPU-LBPRGKRZSA-N 0 0 201.269 2.318 50 0 BEAARN CCn1nc(C)cc1CNC(=O)c1cccs1 ZINC000226745555 187321330 /nfs/dbraw/zinc/32/13/30/187321330.db2.gz XVFNYYXDGSOPCA-UHFFFAOYSA-N 0 0 249.339 2.203 50 0 BEAARN CC(=O)c1c(Cl)nc2sccn21 ZINC000071373522 398148053 /nfs/dbraw/zinc/14/80/53/398148053.db2.gz NFZUUAPVPDUAPV-UHFFFAOYSA-N 0 0 200.650 2.252 50 0 BEAARN Cc1cc(CNC(=O)c2cnoc2C)c(C)o1 ZINC000096025952 178017529 /nfs/dbraw/zinc/01/75/29/178017529.db2.gz NMJWBUGLJULWHZ-UHFFFAOYSA-N 0 0 234.255 2.123 50 0 BEAARN CN(C[C@H]1CCCOC1)c1ccncc1F ZINC000585118334 398172050 /nfs/dbraw/zinc/17/20/50/398172050.db2.gz KSBSYSUYPIDPBI-SNVBAGLBSA-N 0 0 224.279 2.084 50 0 BEAARN CC(C)(C)COC(=O)CCCCc1c[nH]nn1 ZINC000170609463 136215858 /nfs/dbraw/zinc/21/58/58/136215858.db2.gz VIHWTYCWMBQLNA-UHFFFAOYSA-N 0 0 239.319 2.107 50 0 BEAARN Cc1cc(CO)c(O)c(CCc2ccccc2)n1 ZINC000000771849 178045937 /nfs/dbraw/zinc/04/59/37/178045937.db2.gz DHWSXBPWCQTICM-UHFFFAOYSA-N 0 0 243.306 2.373 50 0 BEAARN Cc1cc(COC(=O)c2ccc(C)c(O)c2)on1 ZINC000032850515 178047005 /nfs/dbraw/zinc/04/70/05/178047005.db2.gz JGRKTWMSMCXWLD-UHFFFAOYSA-N 0 0 247.250 2.354 50 0 BEAARN Cc1cc(CSc2nnc3ccccn32)on1 ZINC000009256560 178052988 /nfs/dbraw/zinc/05/29/88/178052988.db2.gz OHGHXAMWUPRSET-UHFFFAOYSA-N 0 0 246.295 2.318 50 0 in-vitro BEAARN Cc1cc(CSc2nnc3ccccn32)no1 ZINC000008245153 178053817 /nfs/dbraw/zinc/05/38/17/178053817.db2.gz PLGFEKDYWUPXNJ-UHFFFAOYSA-N 0 0 246.295 2.318 50 0 BEAARN CC(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000241644406 398160952 /nfs/dbraw/zinc/16/09/52/398160952.db2.gz PQLXPJRYAFUWTP-LBPRGKRZSA-N 0 0 243.228 2.382 50 0 BEAARN Cc1cc(C[S@](=O)c2ccoc2C)no1 ZINC000189609227 178060011 /nfs/dbraw/zinc/06/00/11/178060011.db2.gz OWKHDWKJPYSZHK-HNNXBMFYSA-N 0 0 225.269 2.192 50 0 BEAARN Cc1cc(Cl)cc(C(N)=O)c1Cl ZINC000263624401 178063110 /nfs/dbraw/zinc/06/31/10/178063110.db2.gz QDLNBBCSQSIFTQ-UHFFFAOYSA-N 0 0 204.056 2.401 50 0 BEAARN CCC(CC)C(=O)NCc1c(C)noc1C ZINC000067755980 168338227 /nfs/dbraw/zinc/33/82/27/168338227.db2.gz QQVALNHVPJMDBK-UHFFFAOYSA-N 0 0 224.304 2.344 50 0 BEAARN Cc1cc(F)ccc1NC(=O)c1ccnn1C ZINC000002763379 178089855 /nfs/dbraw/zinc/08/98/55/178089855.db2.gz OIEYXXUOJQVPRG-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)s1 ZINC000045445918 398192649 /nfs/dbraw/zinc/19/26/49/398192649.db2.gz SPAMNDUEOYVIAW-IUCAKERBSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1cc(N)c(Br)nc1Cl ZINC000218900944 178102373 /nfs/dbraw/zinc/10/23/73/178102373.db2.gz UOZICIIPLCEFMD-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN Cc1cc(N)nc(Nc2cccc(F)c2)n1 ZINC000075156677 178109540 /nfs/dbraw/zinc/10/95/40/178109540.db2.gz YPOMRKLCJKEZDY-UHFFFAOYSA-N 0 0 218.235 2.250 50 0 BEAARN Cc1cc(N2CCC[C@H](C)CC2)n2ncnc2n1 ZINC000071842027 178115964 /nfs/dbraw/zinc/11/59/64/178115964.db2.gz YDOTYTSHDNTKAT-JTQLQIEISA-N 0 0 245.330 2.059 50 0 BEAARN Cc1cc(NC(=O)NC2CCCCC2)nn1C ZINC000035670906 178138753 /nfs/dbraw/zinc/13/87/53/178138753.db2.gz APUOREQBUZXVEO-UHFFFAOYSA-N 0 0 236.319 2.183 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccc(OC)nc1 ZINC000097040448 398205873 /nfs/dbraw/zinc/20/58/73/398205873.db2.gz HCGNQABQMSGVFC-BJMVGYQFSA-N 0 0 234.299 2.063 50 0 BEAARN Cc1cc(NC(=O)CNc2ccccc2F)on1 ZINC000024226668 178133145 /nfs/dbraw/zinc/13/31/45/178133145.db2.gz XOIYHMXFHHQCLV-UHFFFAOYSA-N 0 0 249.245 2.173 50 0 BEAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)no1 ZINC000000128112 178134963 /nfs/dbraw/zinc/13/49/63/178134963.db2.gz KBLYGLRBLPNXEB-UHFFFAOYSA-N 0 0 234.230 2.303 50 0 BEAARN Cc1cc(NC(=O)NCC(F)(F)F)ccc1O ZINC000097094736 178139373 /nfs/dbraw/zinc/13/93/73/178139373.db2.gz ZFZVRBUGNUJZCQ-UHFFFAOYSA-N 0 0 248.204 2.384 50 0 BEAARN Cc1cc(NC(=O)N2CCO[C@H](C)[C@@H]2C)ccn1 ZINC000097048794 178138063 /nfs/dbraw/zinc/13/80/63/178138063.db2.gz XONISPZCCCJNSX-WDEREUQCSA-N 0 0 249.314 2.031 50 0 BEAARN Cc1cc(NC(=O)NCc2ccc(O)cc2)no1 ZINC000012905534 178141262 /nfs/dbraw/zinc/14/12/62/178141262.db2.gz NROQDLZZXWSSMO-UHFFFAOYSA-N 0 0 247.254 2.010 50 0 BEAARN Cc1cc(NC(=O)Nc2cccnn2)ccc1O ZINC000097104787 178142039 /nfs/dbraw/zinc/14/20/39/178142039.db2.gz YZFBKLSIHFVZDW-UHFFFAOYSA-N 0 0 244.254 2.135 50 0 BEAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)no1 ZINC000000116326 178143462 /nfs/dbraw/zinc/14/34/62/178143462.db2.gz OXVLRBMWVANPKJ-SNVBAGLBSA-N 0 0 246.266 2.389 50 0 BEAARN Cc1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1F ZINC000061120439 178149837 /nfs/dbraw/zinc/14/98/37/178149837.db2.gz BIUCUTMTNNFBLM-UHFFFAOYSA-N 0 0 246.241 2.075 50 0 BEAARN C[C@H](Oc1cccc(-c2ccncc2)c1)C(N)=O ZINC000426719779 398218501 /nfs/dbraw/zinc/21/85/01/398218501.db2.gz CDEAGTNVWJTFAK-JTQLQIEISA-N 0 0 242.278 2.001 50 0 BEAARN CCN(CC)c1ccc2cc(CO)c(=O)oc2c1 ZINC000075252265 398218622 /nfs/dbraw/zinc/21/86/22/398218622.db2.gz LZVUVQZZQPNITJ-UHFFFAOYSA-N 0 0 247.294 2.132 50 0 BEAARN Cc1[nH]nc(C2CC2)c1-c1ccc(C(N)=O)cc1 ZINC000426739884 398220461 /nfs/dbraw/zinc/22/04/61/398220461.db2.gz UMRDXDWKMXPKGA-UHFFFAOYSA-N 0 0 241.294 2.361 50 0 BEAARN Cc1cc(NCc2ccc3c(c2)OCCO3)no1 ZINC000083374925 178172609 /nfs/dbraw/zinc/17/26/09/178172609.db2.gz SWHUWCJMSMGUSK-UHFFFAOYSA-N 0 0 246.266 2.366 50 0 BEAARN Cc1cc(NCc2csc(C)n2)no1 ZINC000095990329 178176602 /nfs/dbraw/zinc/17/66/02/178176602.db2.gz TWKAFICPOWWNEE-UHFFFAOYSA-N 0 0 209.274 2.360 50 0 BEAARN Clc1nc2cn(C3CC3)nc2c(Cl)n1 ZINC000230570783 192029295 /nfs/dbraw/zinc/02/92/95/192029295.db2.gz DHOPBSQPTHVAKG-UHFFFAOYSA-N 0 0 229.070 2.468 50 0 BEAARN Cc1cc(O)cc(O)c1Br ZINC000033505764 178199749 /nfs/dbraw/zinc/19/97/49/178199749.db2.gz GLJLCZSVSWEONA-UHFFFAOYSA-N 0 0 203.035 2.169 50 0 BEAARN Cc1ncccc1CN(C)Cc1ccncc1 ZINC000170594877 361768936 /nfs/dbraw/zinc/76/89/36/361768936.db2.gz KJJOZMKECNVBMP-UHFFFAOYSA-N 0 0 227.311 2.417 50 0 BEAARN Cc1nc(/C=C/C(=O)N[C@H](C)C2CC2)cs1 ZINC000023042244 398230743 /nfs/dbraw/zinc/23/07/43/398230743.db2.gz AVHSTTRNMOTGNT-HQZHTGGTSA-N 0 0 236.340 2.379 50 0 BEAARN CCc1nc(SCC(O)(CC)CC)n[nH]1 ZINC000170592211 361761755 /nfs/dbraw/zinc/76/17/55/361761755.db2.gz WHHUTUQFOWFFTN-UHFFFAOYSA-N 0 0 229.349 2.010 50 0 BEAARN CC(C)CC(=O)NCCN1Cc2ccccc2C1 ZINC000170593473 361765800 /nfs/dbraw/zinc/76/58/00/361765800.db2.gz VVBKJBIQEZTPOW-UHFFFAOYSA-N 0 0 246.354 2.165 50 0 BEAARN Cc1cc([C@H](C)NCc2noc(C)n2)c(C)o1 ZINC000097112002 178251805 /nfs/dbraw/zinc/25/18/05/178251805.db2.gz UKTVIDDEVGQTMZ-QMMMGPOBSA-N 0 0 235.287 2.439 50 0 BEAARN O=C(OCCC[C@@H]1CCCO1)c1cscn1 ZINC000097113173 398237153 /nfs/dbraw/zinc/23/71/53/398237153.db2.gz OPLLDFBKHYOVEQ-VIFPVBQESA-N 0 0 241.312 2.259 50 0 BEAARN COC(=O)C[C@@H](C)OC(=O)c1cc(C)oc1C ZINC000097137087 398243120 /nfs/dbraw/zinc/24/31/20/398243120.db2.gz KVIUYVVDIABNMG-MRVPVSSYSA-N 0 0 240.255 2.005 50 0 BEAARN Cc1cc2ccccc2n1CC(=O)NCC1CC1 ZINC000022831750 178297378 /nfs/dbraw/zinc/29/73/78/178297378.db2.gz SQOFRAAYYZFPDL-UHFFFAOYSA-N 0 0 242.322 2.476 50 0 BEAARN Cc1cc2nccc(-c3ccccc3O)n2n1 ZINC000072406254 178304085 /nfs/dbraw/zinc/30/40/85/178304085.db2.gz RDXOKGKLOXGUKA-UHFFFAOYSA-N 0 0 225.251 2.410 50 0 BEAARN Cc1cc2occ(C=O)c(=O)c2cc1C ZINC000002557026 178307247 /nfs/dbraw/zinc/30/72/47/178307247.db2.gz XDRXIOAFMFRNOJ-UHFFFAOYSA-N 0 0 202.209 2.222 50 0 BEAARN Cc1ccc(-c2ccnc(F)c2)c(N)n1 ZINC000065493860 178327731 /nfs/dbraw/zinc/32/77/31/178327731.db2.gz OSEHNVIPHWSOCO-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN C[C@H](NC(=O)c1cnn(C)c1)c1ccccc1F ZINC000023545018 538944501 /nfs/dbraw/zinc/94/45/01/538944501.db2.gz LCUYRFMWDCQSDQ-VIFPVBQESA-N 0 0 247.273 2.050 50 0 BEAARN Cc1ccc(-c2nnc3[nH]c(C)cc(=O)n32)cc1 ZINC000008856829 178342463 /nfs/dbraw/zinc/34/24/63/178342463.db2.gz RFXYIWSLQKMPNM-UHFFFAOYSA-N 0 0 240.266 2.114 50 0 BEAARN Cc1onc(-c2ccc(C)cc2)c1CO ZINC000019948373 178342500 /nfs/dbraw/zinc/34/25/00/178342500.db2.gz MYRHVRQCQIJDHW-UHFFFAOYSA-N 0 0 203.241 2.451 50 0 BEAARN Cc1ccc(-n2cc(C=O)cn2)cc1C ZINC000019092881 178345969 /nfs/dbraw/zinc/34/59/69/178345969.db2.gz CQJUGLBVFQAIPI-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1ccc(-c2n[nH]c(=O)cc2C)cc1 ZINC000054930855 178332035 /nfs/dbraw/zinc/33/20/35/178332035.db2.gz BJIXKMNCDJGJKG-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN Cc1ccc(/C=C2\SC(=N)NC2=O)cc1 ZINC000016905051 178355566 /nfs/dbraw/zinc/35/55/66/178355566.db2.gz VMIJJMVEQOFALP-TWGQIWQCSA-N 0 0 218.281 2.134 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)c2ccco2)n1 ZINC000025463449 538948051 /nfs/dbraw/zinc/94/80/51/538948051.db2.gz RJFIUSJIFVRSEN-JTQLQIEISA-N 0 0 230.267 2.474 50 0 BEAARN Cc1ccc(Br)cc1NN ZINC000021303113 178362312 /nfs/dbraw/zinc/36/23/12/178362312.db2.gz PVZALDBFJKFGIY-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN C[C@@H]1CO[C@@H](C)CN1Cc1nc2ccccc2o1 ZINC000036390307 398264660 /nfs/dbraw/zinc/26/46/60/398264660.db2.gz CINYJUGTPIFJQO-MNOVXSKESA-N 0 0 246.310 2.437 50 0 BEAARN CC(C)(C)SCC(=O)N1CCCC1 ZINC000033019269 538951060 /nfs/dbraw/zinc/95/10/60/538951060.db2.gz ZMDYSQHSSQIXCP-UHFFFAOYSA-N 0 0 201.335 2.141 50 0 BEAARN CCOc1ccc2oc(C(=O)NC)c(C)c2c1 ZINC000032999440 538951064 /nfs/dbraw/zinc/95/10/64/538951064.db2.gz YZDRZERDOQYFFG-UHFFFAOYSA-N 0 0 233.267 2.500 50 0 BEAARN Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2C)n1 ZINC000032906162 538951169 /nfs/dbraw/zinc/95/11/69/538951169.db2.gz IKXNCIWUTPKIFA-GFCCVEGCSA-N 0 0 249.358 2.291 50 0 BEAARN O=C(NCc1ccc[nH]1)[C@@H]1CCC[C@@H](F)C1 ZINC000335084522 136232646 /nfs/dbraw/zinc/23/26/46/136232646.db2.gz MPAGHMXXWDMZQZ-NXEZZACHSA-N 0 0 224.279 2.159 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cn1 ZINC000032901403 178387471 /nfs/dbraw/zinc/38/74/71/178387471.db2.gz XPRNKOYCCLDTKJ-SNVBAGLBSA-N 0 0 218.300 2.262 50 0 BEAARN Cc1ccc(C(=O)N2CCSCC2)cc1C ZINC000040542000 178393474 /nfs/dbraw/zinc/39/34/74/178393474.db2.gz PDBPQSBCKIKASD-UHFFFAOYSA-N 0 0 235.352 2.492 50 0 BEAARN Cc1ccc(C(=O)N2CCSCC2)cc1F ZINC000040542092 178393632 /nfs/dbraw/zinc/39/36/32/178393632.db2.gz WZJGGSCBGWHWJZ-UHFFFAOYSA-N 0 0 239.315 2.323 50 0 BEAARN Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000016602280 178399438 /nfs/dbraw/zinc/39/94/38/178399438.db2.gz DBWNIWNCLQCTLJ-DTORHVGOSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1ccc(C(=O)NC2CCCC2)n1C ZINC000026537677 178402828 /nfs/dbraw/zinc/40/28/28/178402828.db2.gz USMLETYIJBVHMK-UHFFFAOYSA-N 0 0 206.289 2.006 50 0 BEAARN Nc1ccc2c(c1)CC(=O)N2Cc1ccccc1 ZINC000035058918 538955390 /nfs/dbraw/zinc/95/53/90/538955390.db2.gz HQEQUUVILDGJAC-UHFFFAOYSA-N 0 0 238.290 2.358 50 0 BEAARN CCOc1ccccc1/C=C1/N=C(C)OC1=O ZINC000000070617 342672752 /nfs/dbraw/zinc/67/27/52/342672752.db2.gz VHECKYSRBSGJCA-DHZHZOJOSA-N 0 0 231.251 2.401 50 0 BEAARN C[C@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000078034 342673103 /nfs/dbraw/zinc/67/31/03/342673103.db2.gz ZJXPSNBSBSJSOE-YFKPBYRVSA-N 0 0 234.082 2.313 50 0 BEAARN CCCn1c(SC)nnc1SC ZINC000000093070 342674013 /nfs/dbraw/zinc/67/40/13/342674013.db2.gz AXIYLTGSUMUHRG-UHFFFAOYSA-N 0 0 203.336 2.132 50 0 BEAARN COC(=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000000125238 342675724 /nfs/dbraw/zinc/67/57/24/342675724.db2.gz QHXXTJHICKIVFA-UHFFFAOYSA-N 0 0 241.674 2.232 50 0 BEAARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1 ZINC000000129050 342675975 /nfs/dbraw/zinc/67/59/75/342675975.db2.gz SMCOTCXZDZNNSH-UHFFFAOYSA-N 0 0 249.241 2.009 50 0 BEAARN Cc1cc(C)n(C(=O)c2cccs2)n1 ZINC000000143187 342676990 /nfs/dbraw/zinc/67/69/90/342676990.db2.gz JAJPDRXLBIESQE-UHFFFAOYSA-N 0 0 206.270 2.250 50 0 BEAARN C[C@@]12CCCC[C@]13NC(=O)CN3c1ccccc12 ZINC000000517667 342689069 /nfs/dbraw/zinc/68/90/69/342689069.db2.gz BNTKETXJVKCBBV-LSDHHAIUSA-N 0 0 242.322 2.164 50 0 BEAARN CC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000000238755 342680902 /nfs/dbraw/zinc/68/09/02/342680902.db2.gz IMGBRUFRLUUMEW-UHFFFAOYSA-N 0 0 244.246 2.207 50 0 BEAARN O=S(=O)(Nc1ccccc1)c1ccccc1 ZINC000000236672 342680946 /nfs/dbraw/zinc/68/09/46/342680946.db2.gz XAUGWFWQVYXATQ-UHFFFAOYSA-N 0 0 233.292 2.487 50 0 BEAARN CCN1c2ccc(N)c3cccc(c23)C1=O ZINC000000254578 342681301 /nfs/dbraw/zinc/68/13/01/342681301.db2.gz LZXPPDSORWBMRR-UHFFFAOYSA-N 0 0 212.252 2.402 50 0 BEAARN Cc1csc(NC(=O)c2cccnc2)n1 ZINC000000283714 342682023 /nfs/dbraw/zinc/68/20/23/342682023.db2.gz YSOCMISXIIJOAB-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CN(C)c1ccc(C(=O)Nc2cccnc2)cc1 ZINC000000284884 342682129 /nfs/dbraw/zinc/68/21/29/342682129.db2.gz OVPPLKRODGWRFF-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN CCOc1ccc(C(=O)OC)cc1COC ZINC000000315559 342683129 /nfs/dbraw/zinc/68/31/29/342683129.db2.gz RJKBVKNMXFUAGG-UHFFFAOYSA-N 0 0 224.256 2.018 50 0 BEAARN CCOc1cc(O)c(C(C)=O)c(OCC)c1 ZINC000000335904 342683929 /nfs/dbraw/zinc/68/39/29/342683929.db2.gz ZQSXHBMSOWNCNP-UHFFFAOYSA-N 0 0 224.256 2.392 50 0 BEAARN O=c1c(Br)ccc2ccccn21 ZINC000000343433 342684116 /nfs/dbraw/zinc/68/41/16/342684116.db2.gz BLINDGIQXUVTQH-UHFFFAOYSA-N 0 0 224.057 2.062 50 0 BEAARN Cc1ccc(NC(=O)CSC(N)=O)c(C)c1 ZINC000000340455 342684141 /nfs/dbraw/zinc/68/41/41/342684141.db2.gz NVQVWKKQQBEMND-UHFFFAOYSA-N 0 0 238.312 2.054 50 0 BEAARN CC(=O)Nc1nc(C)c(Br)s1 ZINC000000339749 342684210 /nfs/dbraw/zinc/68/42/10/342684210.db2.gz VGOJXJXWXAIOBE-UHFFFAOYSA-N 0 0 235.106 2.172 50 0 BEAARN Cc1ccc(NC(=O)c2ccncc2)nc1 ZINC000000362660 342684850 /nfs/dbraw/zinc/68/48/50/342684850.db2.gz YDLKENYTGIBLBI-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN CSc1nc(NCc2ccc(C)cc2)n[nH]1 ZINC000000360359 342684943 /nfs/dbraw/zinc/68/49/43/342684943.db2.gz WSNIJXFCRBNQTJ-UHFFFAOYSA-N 0 0 234.328 2.447 50 0 BEAARN CSc1nnc(NC(=O)c2ccco2)s1 ZINC000000364057 342685162 /nfs/dbraw/zinc/68/51/62/342685162.db2.gz OEGYSMUYNKDGCN-UHFFFAOYSA-N 0 0 241.297 2.105 50 0 BEAARN CC(C)CNC(=O)c1ccc(Cl)c(N)c1 ZINC000000365589 342685209 /nfs/dbraw/zinc/68/52/09/342685209.db2.gz XQMAOLZOUVKKEF-UHFFFAOYSA-N 0 0 226.707 2.308 50 0 BEAARN NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000366440 342685222 /nfs/dbraw/zinc/68/52/22/342685222.db2.gz JVMQLNXAPHLKDV-UHFFFAOYSA-N 0 0 249.291 2.126 50 0 BEAARN Nc1cnn(Cc2ccccc2Cl)c1 ZINC000000373339 342685383 /nfs/dbraw/zinc/68/53/83/342685383.db2.gz PZQYFVCAUFJJAM-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN O=c1c2ccccc2ncn1Cc1ccco1 ZINC000000373842 342685386 /nfs/dbraw/zinc/68/53/86/342685386.db2.gz IUWXBYWERSAMCL-UHFFFAOYSA-N 0 0 226.235 2.038 50 0 BEAARN O=S1(=O)C=C(N2CCCCC2)c2ccccc21 ZINC000000376119 342685395 /nfs/dbraw/zinc/68/53/95/342685395.db2.gz HAXRUOPYSZWQND-UHFFFAOYSA-N 0 0 249.335 2.258 50 0 BEAARN Cn1c2ccccc2c(=O)c2c1CCCC2 ZINC000000381903 342685722 /nfs/dbraw/zinc/68/57/22/342685722.db2.gz FGVSSSCNMCYKJG-UHFFFAOYSA-N 0 0 213.280 2.417 50 0 BEAARN Cc1cc(C)n(CC(=O)c2ccccc2)n1 ZINC000000387733 342685780 /nfs/dbraw/zinc/68/57/80/342685780.db2.gz IFLCTPSVDBUTLB-UHFFFAOYSA-N 0 0 214.268 2.383 50 0 BEAARN O=C(c1ccccc1)c1cc(O)ccc1O ZINC000000389193 342685921 /nfs/dbraw/zinc/68/59/21/342685921.db2.gz PTBZRYBRVBHLCU-UHFFFAOYSA-N 0 0 214.220 2.329 50 0 BEAARN CCOC(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000000393677 342686038 /nfs/dbraw/zinc/68/60/38/342686038.db2.gz KOACXUOASKUNMQ-NEPJUHHUSA-N 0 0 204.269 2.428 50 0 BEAARN O=c1cc(-c2ccccn2)[nH]c(-c2ccccn2)c1 ZINC000000403259 342686672 /nfs/dbraw/zinc/68/66/72/342686672.db2.gz HRORSVNZQWCZTD-UHFFFAOYSA-N 0 0 249.273 2.499 50 0 BEAARN O=C(OCc1ccccc1)N1CC=CC1 ZINC000000403280 342686818 /nfs/dbraw/zinc/68/68/18/342686818.db2.gz XSKKIFJNZPNVGO-UHFFFAOYSA-N 0 0 203.241 2.195 50 0 BEAARN CSc1nnc(COc2ccccc2)n1C ZINC000000420603 342687204 /nfs/dbraw/zinc/68/72/04/342687204.db2.gz GGMPEPQVNAOVDO-UHFFFAOYSA-N 0 0 235.312 2.116 50 0 BEAARN CCCN1C(=S)N=NC1c1ccco1 ZINC000000410352 342687229 /nfs/dbraw/zinc/68/72/29/342687229.db2.gz SXEBSEVWCFKQBJ-UHFFFAOYSA-N 0 0 209.274 2.237 50 0 BEAARN COC(=O)CNc1cccc(C(F)(F)F)c1 ZINC000000416150 342687241 /nfs/dbraw/zinc/68/72/41/342687241.db2.gz NXDJBFSBMWZWMC-UHFFFAOYSA-N 0 0 233.189 2.290 50 0 BEAARN CCN(CC)S(=O)(=O)c1ccc(C)cc1 ZINC000000028303 342669925 /nfs/dbraw/zinc/66/99/25/342669925.db2.gz AOJBACHWNDMRQP-UHFFFAOYSA-N 0 0 227.329 2.026 50 0 BEAARN CCN(CC)C(=O)[C@H](C)Oc1ccccc1 ZINC000000030611 342670071 /nfs/dbraw/zinc/67/00/71/342670071.db2.gz NILANMAUVXEMNA-NSHDSACASA-N 0 0 221.300 2.322 50 0 BEAARN Cc1cc(C)nc(NC(=O)c2ccc(F)cc2)n1 ZINC000000031012 342670296 /nfs/dbraw/zinc/67/02/96/342670296.db2.gz XYIUTPJXOLQYJB-UHFFFAOYSA-N 0 0 245.257 2.485 50 0 BEAARN CC(C)CNC(=O)[C@@H](C)Oc1ccccc1 ZINC000000030907 342670321 /nfs/dbraw/zinc/67/03/21/342670321.db2.gz SHLXTEZABWRBDC-LLVKDONJSA-N 0 0 221.300 2.226 50 0 BEAARN O=C(c1ccco1)N1CCc2ccccc21 ZINC000000035362 342670644 /nfs/dbraw/zinc/67/06/44/342670644.db2.gz SQFKXNDVUJVECL-UHFFFAOYSA-N 0 0 213.236 2.483 50 0 BEAARN CC(C)(C)NC(=S)NCc1ccccc1 ZINC000000039339 342670926 /nfs/dbraw/zinc/67/09/26/342670926.db2.gz RLTDXTUGGXRDEW-UHFFFAOYSA-N 0 0 222.357 2.449 50 0 BEAARN O=C1Cc2ccc(C(F)(F)F)cc2N1 ZINC000000053088 342671617 /nfs/dbraw/zinc/67/16/17/342671617.db2.gz LZPKWQOLOCLSBO-UHFFFAOYSA-N 0 0 201.147 2.200 50 0 BEAARN COC(=O)n1c(SC)nc2ccccc21 ZINC000000058798 342672108 /nfs/dbraw/zinc/67/21/08/342672108.db2.gz LDLXKHLTCRYGGK-UHFFFAOYSA-N 0 0 222.269 2.373 50 0 BEAARN O=C1C=CC(=O)N1c1cc(Cl)ccc1Cl ZINC000000061818 342672360 /nfs/dbraw/zinc/67/23/60/342672360.db2.gz WGGQQECAPZLVDV-UHFFFAOYSA-N 0 0 242.061 2.423 50 0 BEAARN Nc1cccc(NC(=O)c2ccccc2O)c1 ZINC000000072822 342672659 /nfs/dbraw/zinc/67/26/59/342672659.db2.gz NIVASJPUHRPIBF-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN CCCC(=O)Nc1ccc(N)cc1OC ZINC000000569982 342690406 /nfs/dbraw/zinc/69/04/06/342690406.db2.gz FMSRQDCFVZSDQE-UHFFFAOYSA-N 0 0 208.261 2.016 50 0 BEAARN COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000000609230 342690940 /nfs/dbraw/zinc/69/09/40/342690940.db2.gz SBXQRIDZIXLNSM-UHFFFAOYSA-N 0 0 222.240 2.145 50 0 biogenic BEAARN COC(=O)CNc1ccc(Br)cc1 ZINC000000614920 342690971 /nfs/dbraw/zinc/69/09/71/342690971.db2.gz CTTJLLJXWHBYHW-UHFFFAOYSA-N 0 0 244.088 2.034 50 0 BEAARN CC[NH+](CC)[C@@H](C(=O)[O-])c1ccccc1 ZINC000000811641 342693092 /nfs/dbraw/zinc/69/30/92/342693092.db2.gz ZUCSUKWYYWJTHM-LLVKDONJSA-N 0 0 207.273 2.154 50 0 biogenic BEAARN COC(=O)c1cncn1[C@H](C)c1ccccc1 ZINC000000869987 342693932 /nfs/dbraw/zinc/69/39/32/342693932.db2.gz FHFZEKYDSVTYLL-SNVBAGLBSA-N 0 0 230.267 2.279 50 0 in-man BEAARN Cc1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000000994069 342695554 /nfs/dbraw/zinc/69/55/54/342695554.db2.gz FALROQMVIHGVHR-UHFFFAOYSA-N 0 0 241.246 2.384 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1 ZINC000001235072 342698522 /nfs/dbraw/zinc/69/85/22/342698522.db2.gz WYWOTSWUJAQKCG-CYBMUJFWSA-N 0 0 249.310 2.483 50 0 BEAARN C[C@H]1CN(C)N=C(c2ccccc2)CS1 ZINC000096027561 342699445 /nfs/dbraw/zinc/69/94/45/342699445.db2.gz ZJXVHEAYXHPNNC-JTQLQIEISA-N 0 0 220.341 2.458 50 0 BEAARN Nc1nc(Cl)cc(NCCc2ccccc2)n1 ZINC000001398297 342700183 /nfs/dbraw/zinc/70/01/83/342700183.db2.gz BQBIYKWCXMWSJY-UHFFFAOYSA-N 0 0 248.717 2.367 50 0 BEAARN Nc1cc(Br)cc(Cl)c1N ZINC000001605118 342705490 /nfs/dbraw/zinc/70/54/90/342705490.db2.gz VLJIODKDXFJLRA-UHFFFAOYSA-N 0 0 221.485 2.267 50 0 BEAARN CC(=O)OC[C@H](C)CC[C@@H](C)COC(C)=O ZINC000001632766 342706626 /nfs/dbraw/zinc/70/66/26/342706626.db2.gz YQQPADUOKRFGKM-NXEZZACHSA-N 0 0 230.304 2.165 50 0 BEAARN CCCCCC(C(=O)OCC)C(=O)OCC ZINC000001661234 342707381 /nfs/dbraw/zinc/70/73/81/342707381.db2.gz OQFYXOBMUBGANU-UHFFFAOYSA-N 0 0 230.304 2.309 50 0 BEAARN Clc1ncnc2[nH]cc(Br)c21 ZINC000001680587 342708654 /nfs/dbraw/zinc/70/86/54/342708654.db2.gz OXLMTRZWMHIZBY-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN O=C(c1ccccc1)N1CCCCCC1=O ZINC000001683179 342709038 /nfs/dbraw/zinc/70/90/38/342709038.db2.gz FEFQUIPMKBPKAR-UHFFFAOYSA-N 0 0 217.268 2.229 50 0 BEAARN CC[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000001687122 342709185 /nfs/dbraw/zinc/70/91/85/342709185.db2.gz ZTXOTHWCDVUQRM-MRVPVSSYSA-N 0 0 203.241 2.081 50 0 BEAARN COc1cccc(Br)c1OC ZINC000001871328 342713321 /nfs/dbraw/zinc/71/33/21/342713321.db2.gz UCEJNFOIRGNMKV-UHFFFAOYSA-N 0 0 217.062 2.466 50 0 BEAARN Nc1n[nH]c(SCc2ccc(Cl)cc2)n1 ZINC000001939759 342713687 /nfs/dbraw/zinc/71/36/87/342713687.db2.gz FCBMSTGDFPBEMI-UHFFFAOYSA-N 0 0 240.719 2.333 50 0 BEAARN Nc1ccccc1C(=O)Oc1ccccc1 ZINC000002015863 342714418 /nfs/dbraw/zinc/71/44/18/342714418.db2.gz ZBFSYQBEXZGTAX-UHFFFAOYSA-N 0 0 213.236 2.488 50 0 BEAARN CC(=O)C(=O)Oc1cccc2ccc(C)nc21 ZINC000002028415 342714609 /nfs/dbraw/zinc/71/46/09/342714609.db2.gz VXOSCDOIUCAUFC-UHFFFAOYSA-N 0 0 229.235 2.038 50 0 BEAARN CC[NH+](CC)Cc1cc(C(=O)[O-])c(C)o1 ZINC000002225854 342717028 /nfs/dbraw/zinc/71/70/28/342717028.db2.gz BTWYDFQXKGAWDB-UHFFFAOYSA-N 0 0 211.261 2.128 50 0 BEAARN O=C1CCc2c1c(O)ccc2Br ZINC000004014536 342740685 /nfs/dbraw/zinc/74/06/85/342740685.db2.gz ZTWBCFVYMDBPPD-UHFFFAOYSA-N 0 0 227.057 2.284 50 0 in-vitro BEAARN O=C(c1c[nH]c2ncccc12)C(F)(F)F ZINC000004049877 342741383 /nfs/dbraw/zinc/74/13/83/342741383.db2.gz FWZGJOLNEDZEEC-UHFFFAOYSA-N 0 0 214.146 2.308 50 0 BEAARN CC[C@H](Cc1ccc(C)cc1)NC(=O)C(C)(C)O ZINC000170613040 361874835 /nfs/dbraw/zinc/87/48/35/361874835.db2.gz VEGHPHICFZIHFU-CYBMUJFWSA-N 0 0 249.354 2.203 50 0 BEAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2)o1 ZINC000004108187 342742629 /nfs/dbraw/zinc/74/26/29/342742629.db2.gz HTIWQIPVCIRJKO-GFCCVEGCSA-N 0 0 228.251 2.442 50 0 BEAARN CC(C)c1ccc(N2C(=O)CNC2=S)cc1 ZINC000004205543 342744034 /nfs/dbraw/zinc/74/40/34/342744034.db2.gz FCIQDMKZTPMMCK-UHFFFAOYSA-N 0 0 234.324 2.031 50 0 BEAARN CC(C)n1ncc2cc(C=O)c(Cl)nc21 ZINC000004205350 342744116 /nfs/dbraw/zinc/74/41/16/342744116.db2.gz QGQIWAJNLSXJBZ-UHFFFAOYSA-N 0 0 223.663 2.478 50 0 BEAARN Nc1n[nH]c2nc(C(F)(F)F)cc(C3CC3)c12 ZINC000004244017 342745467 /nfs/dbraw/zinc/74/54/67/342745467.db2.gz WNNDGUOKKFRGPF-UHFFFAOYSA-N 0 0 242.204 2.436 50 0 BEAARN CC(=O)n1cc(C=O)c(-c2ccccc2)n1 ZINC000004299119 342746178 /nfs/dbraw/zinc/74/61/78/342746178.db2.gz LBWZISYGONTAST-UHFFFAOYSA-N 0 0 214.224 2.023 50 0 BEAARN CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004370300 342747076 /nfs/dbraw/zinc/74/70/76/342747076.db2.gz CZMAEVKITVSOPP-UHFFFAOYSA-N 0 0 211.220 2.066 50 0 BEAARN Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000002455062 342720723 /nfs/dbraw/zinc/72/07/23/342720723.db2.gz UBUYYBPAEDQPJJ-UHFFFAOYSA-N 0 0 235.287 2.340 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@H](CCO)C1 ZINC000002527174 342722682 /nfs/dbraw/zinc/72/26/82/342722682.db2.gz DXABICKZWDHPIP-SNVBAGLBSA-N 0 0 229.320 2.016 50 0 BEAARN O=C([O-])[C@@]1(Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000002527740 342722700 /nfs/dbraw/zinc/72/27/00/342722700.db2.gz CTPFYRQRENSGRK-LBPRGKRZSA-N 0 0 239.702 2.089 50 0 BEAARN CC(C)(C)OC(=O)c1ccc(C=O)cc1 ZINC000002573151 342725015 /nfs/dbraw/zinc/72/50/15/342725015.db2.gz DUNFNBQQWYQKFE-UHFFFAOYSA-N 0 0 206.241 2.454 50 0 BEAARN Nc1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000002578489 342725528 /nfs/dbraw/zinc/72/55/28/342725528.db2.gz BNXVCDZOLBAURI-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN [NH3+][C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000002582453 342725582 /nfs/dbraw/zinc/72/55/82/342725582.db2.gz BIILIFHAKJGBSB-ZETCQYMHSA-N 0 0 220.055 2.078 50 0 biogenic BEAARN C[C@H](C1CC1)N(Cc1ccccc1)C(N)=O ZINC000003130957 342730770 /nfs/dbraw/zinc/73/07/70/342730770.db2.gz MMICPGUPDRJGHH-SNVBAGLBSA-N 0 0 218.300 2.366 50 0 BEAARN CCOc1ccccc1-c1nnc(N)s1 ZINC000003162940 342731190 /nfs/dbraw/zinc/73/11/90/342731190.db2.gz VAFVCVLKNXTRGK-UHFFFAOYSA-N 0 0 221.285 2.186 50 0 BEAARN Cc1cc(-c2csc(N)n2)c(C)n1C ZINC000003445984 342733500 /nfs/dbraw/zinc/73/35/00/342733500.db2.gz HYEVYINJVDHXMC-UHFFFAOYSA-N 0 0 207.302 2.348 50 0 aggregator BEAARN Cn1cccc1C(=O)COc1ccccc1F ZINC000035183576 342734687 /nfs/dbraw/zinc/73/46/87/342734687.db2.gz LJQKIXOYNAESKR-UHFFFAOYSA-N 0 0 233.242 2.426 50 0 BEAARN Cc1cc(Br)cc(C)c1NN ZINC000003676558 342736364 /nfs/dbraw/zinc/73/63/64/342736364.db2.gz IGRGBQFCKLHAKR-UHFFFAOYSA-N 0 0 215.094 2.352 50 0 BEAARN Nc1n[nH]c(-c2ccc3ccccc3c2)n1 ZINC000003723275 342737133 /nfs/dbraw/zinc/73/71/33/342737133.db2.gz OIRAFYCODYLUIQ-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000003755723 342737469 /nfs/dbraw/zinc/73/74/69/342737469.db2.gz FHNOGNNMKHCMOM-SNVBAGLBSA-N 0 0 225.313 2.187 50 0 BEAARN Cn1cc(C(=O)c2ccccc2F)cc1C=O ZINC000003883277 342738923 /nfs/dbraw/zinc/73/89/23/342738923.db2.gz JJYVVGQWXOTSRS-UHFFFAOYSA-N 0 0 231.226 2.208 50 0 BEAARN Nc1nc2cc3c(cc2s1)OCCCO3 ZINC000003888719 342739203 /nfs/dbraw/zinc/73/92/03/342739203.db2.gz XZTYDDXBQFZSDM-UHFFFAOYSA-N 0 0 222.269 2.040 50 0 BEAARN Cc1ccnc(NC2=NC[C@H](C)S2)c1 ZINC000004843360 342752931 /nfs/dbraw/zinc/75/29/31/342752931.db2.gz WRCYDUYHASWKNY-QMMMGPOBSA-N 0 0 207.302 2.293 50 0 BEAARN CC(C)(C)C1=N/C(=C\c2cccnc2)C(=O)O1 ZINC000004919426 342754362 /nfs/dbraw/zinc/75/43/62/342754362.db2.gz MFLPACSZKGHPES-YFHOEESVSA-N 0 0 230.267 2.424 50 0 BEAARN Cc1sc(N)nc1-c1ccc2c(c1)OCCO2 ZINC000004942660 342754768 /nfs/dbraw/zinc/75/47/68/342754768.db2.gz GZUXSYWANTVMEE-UHFFFAOYSA-N 0 0 248.307 2.472 50 0 BEAARN CCOc1cc(C=O)ccc1N1CCCC1 ZINC000004973735 342755238 /nfs/dbraw/zinc/75/52/38/342755238.db2.gz YQVRGSUOHBRGEQ-UHFFFAOYSA-N 0 0 219.284 2.498 50 0 BEAARN CC(C)(C)C1=NO[C@@]2(O)c3ccccc3C(=O)[C@@H]12 ZINC000005187157 342760030 /nfs/dbraw/zinc/76/00/30/342760030.db2.gz VTXNKJCYWOJRGL-HZMBPMFUSA-N 0 0 245.278 2.077 50 0 BEAARN CON(C)C(=O)c1ccc2ccccc2c1 ZINC000005341946 342762220 /nfs/dbraw/zinc/76/22/20/342762220.db2.gz YSNHBNFKJLVKGA-UHFFFAOYSA-N 0 0 215.252 2.473 50 0 BEAARN CC(C)CNC(=O)c1cccnc1Cl ZINC000005384293 342763028 /nfs/dbraw/zinc/76/30/28/342763028.db2.gz JEMSNVJDMIJWNE-UHFFFAOYSA-N 0 0 212.680 2.121 50 0 BEAARN S=C1Nc2ccccc2[C@H]2CC=NN12 ZINC000005389599 342763041 /nfs/dbraw/zinc/76/30/41/342763041.db2.gz KHNGLFNKVNNTKI-SECBINFHSA-N 0 0 203.270 2.350 50 0 BEAARN O=C([O-])[C@@H]1CCCC[C@H]1[NH+]1CCCCC1 ZINC000005494855 342764888 /nfs/dbraw/zinc/76/48/88/342764888.db2.gz KPNDMTLVNQVGTD-GHMZBOCLSA-N 0 0 211.305 2.116 50 0 BEAARN Cc1cc(=O)[nH]c(Nc2cccc(Cl)c2)n1 ZINC000005625863 342767533 /nfs/dbraw/zinc/76/75/33/342767533.db2.gz VCJYAOFVMTZRMJ-UHFFFAOYSA-N 0 0 235.674 2.475 50 0 BEAARN CCCc1cc(C(=O)OCC)c(N)s1 ZINC000005794147 342770113 /nfs/dbraw/zinc/77/01/13/342770113.db2.gz LSUJHERAEYXQKQ-UHFFFAOYSA-N 0 0 213.302 2.460 50 0 BEAARN CONC(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000071909181 342778747 /nfs/dbraw/zinc/77/87/47/342778747.db2.gz YJJKEYWOCMMEGS-ZJUUUORDSA-N 0 0 214.309 2.063 50 0 BEAARN O=C(OCc1nc2ccccc2[nH]1)C1CCC1 ZINC000042368883 342773742 /nfs/dbraw/zinc/77/37/42/342773742.db2.gz AIYWSRGLRNEMBB-UHFFFAOYSA-N 0 0 230.267 2.406 50 0 BEAARN CONC(=O)Nc1ccc(Cl)cc1 ZINC000006180293 342774832 /nfs/dbraw/zinc/77/48/32/342774832.db2.gz KKFFZZYRIFWCNG-UHFFFAOYSA-N 0 0 200.625 2.023 50 0 BEAARN O=C1C[C@@H]2Sc3ccc(Cl)cc3N=C2N1 ZINC000006222132 342775215 /nfs/dbraw/zinc/77/52/15/342775215.db2.gz FIBMIUFYLLAFCX-QMMMGPOBSA-N 0 0 238.699 2.364 50 0 BEAARN O=C(c1cccnc1Cl)N1CCCCC1 ZINC000006330339 342776537 /nfs/dbraw/zinc/77/65/37/342776537.db2.gz PHTPEDJMJRDQMY-UHFFFAOYSA-N 0 0 224.691 2.361 50 0 BEAARN O=[S@@](NC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004689884 342750685 /nfs/dbraw/zinc/75/06/85/342750685.db2.gz AHRKAXMVRAVRGC-ILKNTTSWSA-N 0 0 239.384 2.371 50 0 BEAARN C[C@H](NC(=O)CCc1ccccc1)[C@@H]1CCCO1 ZINC000004750094 342751478 /nfs/dbraw/zinc/75/14/78/342751478.db2.gz MSYYKCYKMWGJIK-JSGCOSHPSA-N 0 0 247.338 2.303 50 0 BEAARN O=c1cc(C(F)(F)F)nc(-c2ccccc2)[nH]1 ZINC000008580033 342800925 /nfs/dbraw/zinc/80/09/25/342800925.db2.gz SMUCGWAIODOUCG-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN Nc1ncc(Cc2cccc(F)c2)s1 ZINC000006548042 342779194 /nfs/dbraw/zinc/77/91/94/342779194.db2.gz TZTVOZBUYKWEMJ-UHFFFAOYSA-N 0 0 208.261 2.455 50 0 BEAARN Cc1cc(C=O)c(C)n1Cc1ccncc1 ZINC000006678044 342780881 /nfs/dbraw/zinc/78/08/81/342780881.db2.gz SNYOVWYDEUFGLX-UHFFFAOYSA-N 0 0 214.268 2.361 50 0 BEAARN COC[C@H](C)Oc1ccc(N)cc1Cl ZINC000006678515 342780900 /nfs/dbraw/zinc/78/09/00/342780900.db2.gz LXWKFKLEUOMTSH-ZETCQYMHSA-N 0 0 215.680 2.336 50 0 BEAARN Cc1cccc(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000006700465 342781168 /nfs/dbraw/zinc/78/11/68/342781168.db2.gz YOTYSDYGIPMBEM-CHWSQXEVSA-N 0 0 247.338 2.173 50 0 BEAARN CCN1CCN(C(=O)Nc2ccccc2C)CC1 ZINC000006698265 342781197 /nfs/dbraw/zinc/78/11/97/342781197.db2.gz VEIZYWDKOOMIEY-UHFFFAOYSA-N 0 0 247.342 2.164 50 0 BEAARN Cc1ccccc1CC(=O)NCc1cccnc1 ZINC000006714547 342781316 /nfs/dbraw/zinc/78/13/16/342781316.db2.gz XWOGTNLTMIYPMR-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN Cc1cc(=O)oc(C)c1C(=O)N1CCCC[C@H]1C ZINC000040489320 538971909 /nfs/dbraw/zinc/97/19/09/538971909.db2.gz QFWDOPUHPPMIBJ-SNVBAGLBSA-N 0 0 249.310 2.271 50 0 BEAARN CCN(Cc1ccncc1)C(=O)c1cc(C)on1 ZINC000006715780 342781469 /nfs/dbraw/zinc/78/14/69/342781469.db2.gz RGHDXJLTDASVNM-UHFFFAOYSA-N 0 0 245.282 2.040 50 0 BEAARN CCn1ccc(C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000006728285 342781605 /nfs/dbraw/zinc/78/16/05/342781605.db2.gz SPHFUZQZFXPBBQ-NSHDSACASA-N 0 0 243.310 2.394 50 0 BEAARN COc1ccccc1NC(=O)Nc1cnccn1 ZINC000006742328 342782003 /nfs/dbraw/zinc/78/20/03/342782003.db2.gz KSJPMWGSTRFALP-UHFFFAOYSA-N 0 0 244.254 2.129 50 0 BEAARN Cc1ccc(C(=O)Nc2ccncc2)cn1 ZINC000025631895 178437984 /nfs/dbraw/zinc/43/79/84/178437984.db2.gz FDKTWCXEYAIDLN-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1ccc(C(=O)Nc2cn[nH]c2)cc1F ZINC000035237783 178438541 /nfs/dbraw/zinc/43/85/41/178438541.db2.gz BOTWOMBJBZBILZ-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN C[C@@H](CC(=O)Nc1ccc(F)cc1)n1cncn1 ZINC000007616322 342792281 /nfs/dbraw/zinc/79/22/81/342792281.db2.gz IQUABQRSEXBJMH-VIFPVBQESA-N 0 0 248.261 2.007 50 0 BEAARN Cc1cccc(CSc2nc[nH]n2)c1 ZINC000007603932 342792283 /nfs/dbraw/zinc/79/22/83/342792283.db2.gz SNOLZXFLVLBGMX-UHFFFAOYSA-N 0 0 205.286 2.405 50 0 BEAARN Clc1cccc(CNn2cnnc2)c1Cl ZINC000007601173 342792399 /nfs/dbraw/zinc/79/23/99/342792399.db2.gz XFAUFAROIDBKCG-UHFFFAOYSA-N 0 0 243.097 2.329 50 0 BEAARN CSc1nc2nc(C)cc(C(F)(F)F)n2n1 ZINC000002732530 342792608 /nfs/dbraw/zinc/79/26/08/342792608.db2.gz ZAEAHNOEUFQSOE-UHFFFAOYSA-N 0 0 248.233 2.173 50 0 BEAARN Cc1c(C(=O)Nc2ccc(C)cc2)cnn1C ZINC000002760299 342793182 /nfs/dbraw/zinc/79/31/82/342793182.db2.gz RGSQBVCPKJYXCG-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN O=C(/C=C/c1ccccc1)OCc1cnccn1 ZINC000071916413 342796098 /nfs/dbraw/zinc/79/60/98/342796098.db2.gz LUCRGTUCTJXUKL-VOTSOKGWSA-N 0 0 240.262 2.233 50 0 BEAARN CCCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009113744 342808258 /nfs/dbraw/zinc/80/82/58/342808258.db2.gz HNZLNCMOWQZSJO-UHFFFAOYSA-N 0 0 246.310 2.317 50 0 BEAARN O=C1NC2(CCCCC2)NC2=C1CCCC2 ZINC000009136750 342808695 /nfs/dbraw/zinc/80/86/95/342808695.db2.gz JGQPNMRAMGIAJH-UHFFFAOYSA-N 0 0 220.316 2.194 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000009316138 342812684 /nfs/dbraw/zinc/81/26/84/342812684.db2.gz PKCNHRDFYYYMPY-UHFFFAOYSA-N 0 0 220.272 2.240 50 0 BEAARN CCOc1ncccc1C(=O)Nc1ccccn1 ZINC000009322498 342812924 /nfs/dbraw/zinc/81/29/24/342812924.db2.gz AYUBJCAFWMBNGX-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN Cc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1 ZINC000009593196 342821459 /nfs/dbraw/zinc/82/14/59/342821459.db2.gz VMPDOHHNYGGTSD-UHFFFAOYSA-N 0 0 241.250 2.195 50 0 BEAARN Cn1ccnc1Sc1ccc(N)cc1 ZINC000009738356 342826398 /nfs/dbraw/zinc/82/63/98/342826398.db2.gz JOFUTRSZJZSTKG-UHFFFAOYSA-N 0 0 205.286 2.154 50 0 BEAARN O=c1c2ccccc2occ1-c1cncnc1 ZINC000032550912 342833161 /nfs/dbraw/zinc/83/31/61/342833161.db2.gz YTWZPHWBJLADBV-UHFFFAOYSA-N 0 0 224.219 2.250 50 0 BEAARN C[C@@H](O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000010775494 342838202 /nfs/dbraw/zinc/83/82/02/342838202.db2.gz SVIDSEZTCSYHJS-ZCFIWIBFSA-N 0 0 248.109 2.104 50 0 BEAARN Cc1c2ccccc2oc1C(=O)N(C)C ZINC000013466568 342841830 /nfs/dbraw/zinc/84/18/30/342841830.db2.gz KTCSLSTYOZSYLF-UHFFFAOYSA-N 0 0 203.241 2.443 50 0 BEAARN O=C(n1ccnc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000065553056 539027814 /nfs/dbraw/zinc/02/78/14/539027814.db2.gz MEIKWCXMZCLBHN-NEPJUHHUSA-N 0 0 233.315 2.363 50 0 BEAARN Nc1ccc(-c2nc3cccnc3[nH]2)cc1 ZINC000011919562 342844535 /nfs/dbraw/zinc/84/45/35/342844535.db2.gz NQZRUPQLXOGNTL-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN Nc1ccccc1OCc1cccnc1 ZINC000012375623 342850458 /nfs/dbraw/zinc/85/04/58/342850458.db2.gz NISBBHHUQZRGQA-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 in-vitro BEAARN CC(C)c1ccc(NC(=O)CN(C)C)cc1 ZINC000012382997 342850824 /nfs/dbraw/zinc/85/08/24/342850824.db2.gz GEXFLKBXECSNDV-UHFFFAOYSA-N 0 0 220.316 2.310 50 0 BEAARN CCCn1nc(C)c2c1[nH]c(=O)cc2C(F)F ZINC000012396357 342851242 /nfs/dbraw/zinc/85/12/42/342851242.db2.gz TUEULQYVUYCYRQ-UHFFFAOYSA-N 0 0 241.241 2.381 50 0 BEAARN Nc1n[nH]cc1-c1ccc(Br)cc1 ZINC000012404919 342851609 /nfs/dbraw/zinc/85/16/09/342851609.db2.gz ABKUXQSVMWMABM-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN Fc1ccc(-c2cnnc(N3CCCC3)n2)cc1 ZINC000012468436 342852578 /nfs/dbraw/zinc/85/25/78/342852578.db2.gz ASPZMQKJYKLIMG-UHFFFAOYSA-N 0 0 244.273 2.278 50 0 BEAARN Cc1ccc(O)c(C(=O)NCCC(C)C)c1 ZINC000012912353 342860886 /nfs/dbraw/zinc/86/08/86/342860886.db2.gz XWTOMSVPPBCLNQ-UHFFFAOYSA-N 0 0 221.300 2.477 50 0 BEAARN Cc1cc(Br)ccc1C(N)=S ZINC000012957337 342862245 /nfs/dbraw/zinc/86/22/45/342862245.db2.gz KANLQQZRNHDXHE-UHFFFAOYSA-N 0 0 230.130 2.392 50 0 BEAARN CCN1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000012978833 342862519 /nfs/dbraw/zinc/86/25/19/342862519.db2.gz UPKCYYXUEBQGOB-UHFFFAOYSA-N 0 0 246.354 2.081 50 0 BEAARN Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000013122930 342864052 /nfs/dbraw/zinc/86/40/52/342864052.db2.gz ITFXYBZUPPBWEC-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 in-vivo BEAARN COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000013327929 342865838 /nfs/dbraw/zinc/86/58/38/342865838.db2.gz GRXVUOWENPEAJM-GXFFZTMASA-N 0 0 233.311 2.010 50 0 BEAARN COc1ccc(CCNC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000013327933 342865852 /nfs/dbraw/zinc/86/58/52/342865852.db2.gz GRXVUOWENPEAJM-ZWNOBZJWSA-N 0 0 233.311 2.010 50 0 BEAARN Fc1ccc(CN2CCOCC2)c2ncccc12 ZINC000032824023 342878725 /nfs/dbraw/zinc/87/87/25/342878725.db2.gz HRSHVEYUTVVRIO-UHFFFAOYSA-N 0 0 246.285 2.206 50 0 BEAARN CCCn1nnc(NCc2ccc(C)cc2)n1 ZINC000013895635 342873564 /nfs/dbraw/zinc/87/35/64/342873564.db2.gz FVHDIHINUSLMCM-UHFFFAOYSA-N 0 0 231.303 2.004 50 0 BEAARN CC(C)(C)N=C1NN=C(c2ccco2)CS1 ZINC000014201192 342878169 /nfs/dbraw/zinc/87/81/69/342878169.db2.gz BUSXEPLPLBQOGC-UHFFFAOYSA-N 0 0 237.328 2.475 50 0 BEAARN COC(=O)c1oc(Br)cc1C ZINC000012879619 342859856 /nfs/dbraw/zinc/85/98/56/342859856.db2.gz GOGYIULQMOBHEO-UHFFFAOYSA-N 0 0 219.034 2.137 50 0 BEAARN CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C(C)C)cc1 ZINC000003326006 398321427 /nfs/dbraw/zinc/32/14/27/398321427.db2.gz TYIQCXFNQWXYBT-SNVBAGLBSA-N 0 0 248.326 2.214 50 0 BEAARN c1ccc2c(Cc3nc(C4CC4)no3)n[nH]c2c1 ZINC000096405262 398317493 /nfs/dbraw/zinc/31/74/93/398317493.db2.gz XJHOQCUMCJVSFW-UHFFFAOYSA-N 0 0 240.266 2.414 50 0 BEAARN CO[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000015446226 342896654 /nfs/dbraw/zinc/89/66/54/342896654.db2.gz WZDUMISBAHEPLN-VIFPVBQESA-N 0 0 215.293 2.380 50 0 BEAARN O=c1[nH]ncc2c3cc(Cl)ccc3[nH]c21 ZINC000015589954 342898415 /nfs/dbraw/zinc/89/84/15/342898415.db2.gz NVQBYLIZHUNUDT-UHFFFAOYSA-N 0 0 219.631 2.058 50 0 BEAARN COC(=O)[C@H](C)SCc1ncccc1C ZINC000097165354 398319052 /nfs/dbraw/zinc/31/90/52/398319052.db2.gz SIEBRYRRQKUEKH-VIFPVBQESA-N 0 0 225.313 2.185 50 0 BEAARN CCCC[C@@H](CC(F)(F)F)C(O)O ZINC000014628466 342882659 /nfs/dbraw/zinc/88/26/59/342882659.db2.gz ZAEIQOLUTRNIRG-LURJTMIESA-N 0 0 200.200 2.056 50 0 BEAARN CC(C)C[C@@H](CO)Nc1cccc(F)n1 ZINC000078661353 398313220 /nfs/dbraw/zinc/31/32/20/398313220.db2.gz LUINXYVQUTXEND-VIFPVBQESA-N 0 0 212.268 2.040 50 0 BEAARN Nc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000014951260 342889865 /nfs/dbraw/zinc/88/98/65/342889865.db2.gz BOULWMFJNQEXOE-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN Nc1ccc(-c2n[nH]c(-c3cccnc3)n2)cc1 ZINC000014988628 342890461 /nfs/dbraw/zinc/89/04/61/342890461.db2.gz CGKIQMWBWXMWGV-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN Cc1cn(C)c([C@H](C)NC(=O)OC(C)(C)C)n1 ZINC000015020949 342890703 /nfs/dbraw/zinc/89/07/03/342890703.db2.gz OOFMNVSHHSUBLC-VIFPVBQESA-N 0 0 239.319 2.314 50 0 BEAARN Cc1cc(-c2nn3c(nnc3C(C)C)s2)n[nH]1 ZINC000015109542 342892595 /nfs/dbraw/zinc/89/25/95/342892595.db2.gz UVQMKQBGJQVISM-UHFFFAOYSA-N 0 0 248.315 2.008 50 0 BEAARN O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000016082754 342905899 /nfs/dbraw/zinc/90/58/99/342905899.db2.gz NRQNCWGEIKPPEQ-DZGCQCFKSA-N 0 0 245.322 2.373 50 0 BEAARN O=C(c1cnc2ccccn12)C(F)(F)Cl ZINC000016159078 342907225 /nfs/dbraw/zinc/90/72/25/342907225.db2.gz RYLULWDVNWTHMK-UHFFFAOYSA-N 0 0 230.601 2.349 50 0 BEAARN O=c1[nH]cc(C(F)(F)F)cc1Br ZINC000016159550 342907275 /nfs/dbraw/zinc/90/72/75/342907275.db2.gz UWHKLLYQUQPOQK-UHFFFAOYSA-N 0 0 241.994 2.156 50 0 BEAARN S=c1nccc(N2CCc3ccccc32)[nH]1 ZINC000016524838 342911953 /nfs/dbraw/zinc/91/19/53/342911953.db2.gz OHNDPTMGOCAWQW-UHFFFAOYSA-N 0 0 229.308 2.460 50 0 BEAARN CCc1ccc(C(=O)N2CCN(CC)CC2)cc1 ZINC000016604783 342913319 /nfs/dbraw/zinc/91/33/19/342913319.db2.gz ROMKDCMRZPWOKJ-UHFFFAOYSA-N 0 0 246.354 2.027 50 0 BEAARN O=C1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000003161544 346870401 /nfs/dbraw/zinc/87/04/01/346870401.db2.gz YQBZNNFVXOBDSJ-YPMHNXCESA-N 0 0 204.269 2.479 50 0 BEAARN Nc1nc(C(F)(F)F)cc(=S)s1 ZINC000004580198 342903259 /nfs/dbraw/zinc/90/32/59/342903259.db2.gz DDMPWZNQBOHLGX-UHFFFAOYSA-N 0 0 212.221 2.474 50 0 BEAARN CC(C)C(=O)Nc1nnc(-c2cccnc2)s1 ZINC000017209468 342922332 /nfs/dbraw/zinc/92/23/32/342922332.db2.gz CVPIFOHQALLYIP-UHFFFAOYSA-N 0 0 248.311 2.195 50 0 BEAARN Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000016941772 342917642 /nfs/dbraw/zinc/91/76/42/342917642.db2.gz BHBYJGVZNPIAMY-ZDUSSCGKSA-N 0 0 233.311 2.292 50 0 BEAARN Cc1occc1C(=O)Nc1nc(C)cc(C)n1 ZINC000016971339 342918163 /nfs/dbraw/zinc/91/81/63/342918163.db2.gz GVZXPLOQVFSFHM-UHFFFAOYSA-N 0 0 231.255 2.247 50 0 BEAARN O=c1c2ccccc2nc2sc(C3CC3)nn21 ZINC000016972755 342918539 /nfs/dbraw/zinc/91/85/39/342918539.db2.gz ARCMQQVFCAKTCD-UHFFFAOYSA-N 0 0 243.291 2.182 50 0 BEAARN Cc1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1 ZINC000040477906 178464832 /nfs/dbraw/zinc/46/48/32/178464832.db2.gz MSIIEPWZHCAUQE-LBPRGKRZSA-N 0 0 233.311 2.164 50 0 BEAARN CCOc1ccc2[nH]c([C@@H](C)O)nc2c1 ZINC000018179847 342933732 /nfs/dbraw/zinc/93/37/32/342933732.db2.gz BFCLPHLZPWCYPK-SSDOTTSWSA-N 0 0 206.245 2.015 50 0 BEAARN CC(C)c1cc(=O)n2c3ccccc3nc2[nH]1 ZINC000018222501 342935262 /nfs/dbraw/zinc/93/52/62/342935262.db2.gz OCXGNMZHQDPIID-UHFFFAOYSA-N 0 0 227.267 2.299 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)cn1 ZINC000122400725 398337718 /nfs/dbraw/zinc/33/77/18/398337718.db2.gz RLDZBJCQMIXETI-UHFFFAOYSA-N 0 0 249.249 2.205 50 0 BEAARN CCC1(Nc2ncnc3c2cnn3C)CCCC1 ZINC000382573729 398330808 /nfs/dbraw/zinc/33/08/08/398330808.db2.gz TYDXBULFKIZVME-UHFFFAOYSA-N 0 0 245.330 2.498 50 0 BEAARN CSCC(=O)N[C@H](C)Cc1ccccc1C ZINC000339640342 398332924 /nfs/dbraw/zinc/33/29/24/398332924.db2.gz TYRPWHXUIAORPF-LLVKDONJSA-N 0 0 237.368 2.405 50 0 BEAARN Cc1cnn(Cc2ccccc2Cl)c1N ZINC000019091179 342941392 /nfs/dbraw/zinc/94/13/92/342941392.db2.gz KLMAUNDTLYRLNW-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN C[C@@H](NC(=O)/C=C/c1ccncn1)C(C)(C)C ZINC000095993670 398345201 /nfs/dbraw/zinc/34/52/01/398345201.db2.gz UXDMRENBORVVFP-BRAIEQGRSA-N 0 0 233.315 2.041 50 0 BEAARN CCCCOc1ccc(-c2nnc(N)o2)cc1 ZINC000019479880 342949589 /nfs/dbraw/zinc/94/95/89/342949589.db2.gz GXIQQCJUWDVEJP-UHFFFAOYSA-N 0 0 233.271 2.498 50 0 BEAARN O=C([O-])c1ccc(CNc2cc[nH+]cc2)cc1 ZINC000019518311 342951041 /nfs/dbraw/zinc/95/10/41/342951041.db2.gz ZJJLFCGQWMKQPM-UHFFFAOYSA-N 0 0 228.251 2.392 50 0 BEAARN CC(C)c1ccc(-c2nonc2N)cc1 ZINC000019772654 342957016 /nfs/dbraw/zinc/95/70/16/342957016.db2.gz ZVOYTVLXNUQWFG-UHFFFAOYSA-N 0 0 203.245 2.442 50 0 BEAARN c1coc(CN2CCN(Cc3ccco3)CC2)c1 ZINC000019832121 342959206 /nfs/dbraw/zinc/95/92/06/342959206.db2.gz CZPFWOPTJKHIOK-UHFFFAOYSA-N 0 0 246.310 2.190 50 0 BEAARN CCCCN(C)C(=O)c1ccc(OC)cc1O ZINC000019838858 342959333 /nfs/dbraw/zinc/95/93/33/342959333.db2.gz OCDXSCINJLCUCC-UHFFFAOYSA-N 0 0 237.299 2.273 50 0 BEAARN CC[C@]12OCCN1C[C@@H](c1ccccc1)O2 ZINC000019864918 342959903 /nfs/dbraw/zinc/95/99/03/342959903.db2.gz JOPJKJFVMPDVNI-QWHCGFSZSA-N 0 0 219.284 2.154 50 0 BEAARN Clc1ccc(C2=Nc3ncnn3CC2)cc1 ZINC000034732061 187208184 /nfs/dbraw/zinc/20/81/84/187208184.db2.gz LDBFQIJGHGDOQE-UHFFFAOYSA-N 0 0 232.674 2.456 50 0 BEAARN O=C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019480440 133452541 /nfs/dbraw/zinc/45/25/41/133452541.db2.gz LOHTXPUVNLEEKQ-UHFFFAOYSA-N 0 0 244.216 2.270 50 0 BEAARN Nc1nc2ccc(-n3ccnc3)cc2s1 ZINC000040538982 342971727 /nfs/dbraw/zinc/97/17/27/342971727.db2.gz QLBXOKFVCLZMEM-UHFFFAOYSA-N 0 0 216.269 2.064 50 0 BEAARN CC(C)(C)OC(=O)Cc1cccc(N)c1 ZINC000020154990 342972620 /nfs/dbraw/zinc/97/26/20/342972620.db2.gz SCZSWYDHGXBSOV-UHFFFAOYSA-N 0 0 207.273 2.153 50 0 BEAARN Nc1ccc(-c2nc3cnccc3o2)c(O)c1 ZINC000020158685 342973233 /nfs/dbraw/zinc/97/32/33/342973233.db2.gz FKAPVCZPWYBUSY-UHFFFAOYSA-N 0 0 227.223 2.178 50 0 BEAARN Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000020182805 342974543 /nfs/dbraw/zinc/97/45/43/342974543.db2.gz VXJXBJPYUWFWAJ-UHFFFAOYSA-N 0 0 242.278 2.060 50 0 BEAARN Cc1cc(C(=O)NC2CCCC2)ccc1N ZINC000020195094 342976318 /nfs/dbraw/zinc/97/63/18/342976318.db2.gz RTMCPXKOVLXCEO-UHFFFAOYSA-N 0 0 218.300 2.250 50 0 BEAARN O=C1CS[C@@H](c2cccs2)N1C1CC1 ZINC000019926925 342963659 /nfs/dbraw/zinc/96/36/59/342963659.db2.gz SEOZNFPPFPCUFS-JTQLQIEISA-N 0 0 225.338 2.485 50 0 BEAARN CCCn1c2ccccc2n(CC)c1=N ZINC000020023396 342966318 /nfs/dbraw/zinc/96/63/18/342966318.db2.gz SHDOJICOOSZOSL-UHFFFAOYSA-N 0 0 203.289 2.352 50 0 BEAARN Cc1ccsc1C(=O)NCc1ccncc1 ZINC000020068998 342968138 /nfs/dbraw/zinc/96/81/38/342968138.db2.gz LHIZZLAYIDTPKO-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CC(=O)NCCSCc1ccc(C)cc1 ZINC000020238688 342977945 /nfs/dbraw/zinc/97/79/45/342977945.db2.gz NPGOVUQHWIVQLA-UHFFFAOYSA-N 0 0 223.341 2.364 50 0 BEAARN CC(=O)Cc1nc(-c2ccc(C)cc2)no1 ZINC000020281991 342980204 /nfs/dbraw/zinc/98/02/04/342980204.db2.gz YCDTXXZEXVUCDM-UHFFFAOYSA-N 0 0 216.240 2.177 50 0 BEAARN COC(=O)COc1cccc(Br)c1 ZINC000020297404 342980878 /nfs/dbraw/zinc/98/08/78/342980878.db2.gz MYPHYUYCJZVEDV-UHFFFAOYSA-N 0 0 245.072 2.001 50 0 BEAARN Cc1c(COc2ccc(N)cc2F)cnn1C ZINC000020352193 342982691 /nfs/dbraw/zinc/98/26/91/342982691.db2.gz FOSMDRHULLGTKV-UHFFFAOYSA-N 0 0 235.262 2.029 50 0 BEAARN Cc1cc(C)n2c(Br)cnc2n1 ZINC000020358100 342983554 /nfs/dbraw/zinc/98/35/54/342983554.db2.gz KTHMAZMJLBMJCA-UHFFFAOYSA-N 0 0 226.077 2.109 50 0 BEAARN Nc1cnccc1Oc1ccc2c(c1)OCO2 ZINC000020370834 342984118 /nfs/dbraw/zinc/98/41/18/342984118.db2.gz PHQBTLYSASQGKE-UHFFFAOYSA-N 0 0 230.223 2.185 50 0 BEAARN Nc1nc2c(cccc2OC(F)F)s1 ZINC000020432690 342985143 /nfs/dbraw/zinc/98/51/43/342985143.db2.gz JUHFOUUZNXNWQE-UHFFFAOYSA-N 0 0 216.212 2.480 50 0 BEAARN COc1c(Cl)nc(Cl)nc1Cl ZINC000021303257 343009359 /nfs/dbraw/zinc/00/93/59/343009359.db2.gz BXDZWBOGMCNUSE-UHFFFAOYSA-N 0 0 213.451 2.445 50 0 BEAARN O=C(O[C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000008380930 259338442 /nfs/dbraw/zinc/33/84/42/259338442.db2.gz CIBMJUAZBFVYAB-NEPJUHHUSA-N 0 0 220.268 2.147 50 0 BEAARN CC(C)(C)c1cc(Cl)n2ncnc2n1 ZINC000021949996 343028578 /nfs/dbraw/zinc/02/85/78/343028578.db2.gz SMOUGYDUFWHMAY-UHFFFAOYSA-N 0 0 210.668 2.075 50 0 BEAARN Cn1ccnc1[C@H](O)c1ccc(Cl)cc1 ZINC000022115155 343040401 /nfs/dbraw/zinc/04/04/01/343040401.db2.gz RTEQGPTVSNWJNT-SNVBAGLBSA-N 0 0 222.675 2.155 50 0 BEAARN Nc1ccc(F)cc1OCC(F)(F)F ZINC000022221094 343044867 /nfs/dbraw/zinc/04/48/67/343044867.db2.gz KTJBWMIVXDHCNT-UHFFFAOYSA-N 0 0 209.142 2.349 50 0 BEAARN O=C(Nc1cc(F)ccc1O)c1cc[nH]c1 ZINC000174905639 362005578 /nfs/dbraw/zinc/00/55/78/362005578.db2.gz VPACERLPKRPEFF-UHFFFAOYSA-N 0 0 220.203 2.112 50 0 BEAARN C[C@@H](CCc1ccccc1)[NH+]1CCN(C)CC1 ZINC000022456118 343049188 /nfs/dbraw/zinc/04/91/88/343049188.db2.gz XOKGAOFSSSIMKP-AWEZNQCLSA-N 0 0 232.371 2.255 50 0 BEAARN Cn1ccc(NC(=S)Nc2ccccc2)n1 ZINC000010846760 343050621 /nfs/dbraw/zinc/05/06/21/343050621.db2.gz CVKVVHLXBCBFEW-UHFFFAOYSA-N 0 0 232.312 2.229 50 0 BEAARN COc1cc(C(N)=O)ccc1OCC=C(C)C ZINC000012379224 343051143 /nfs/dbraw/zinc/05/11/43/343051143.db2.gz IUILRGUGVHZTFE-UHFFFAOYSA-N 0 0 235.283 2.139 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(F)cc1F ZINC000023119835 343059082 /nfs/dbraw/zinc/05/90/82/343059082.db2.gz CORSVMYPTOHKSX-SSDOTTSWSA-N 0 0 213.227 2.493 50 0 BEAARN C[C@]1(Nc2ccc(Cl)cc2)NC(=O)CS1 ZINC000006183332 343067895 /nfs/dbraw/zinc/06/78/95/343067895.db2.gz HWPGGEZVGJMMLY-JTQLQIEISA-N 0 0 242.731 2.289 50 0 BEAARN Cc1ccc(NC(=O)C2CCOCC2)cc1F ZINC000024636195 343074051 /nfs/dbraw/zinc/07/40/51/343074051.db2.gz BAXWICKVGLEBFN-UHFFFAOYSA-N 0 0 237.274 2.499 50 0 BEAARN COCc1ccccc1CNC(=O)NC(C)C ZINC000026145368 343101310 /nfs/dbraw/zinc/10/13/10/343101310.db2.gz NSSJULRRYUAWQG-UHFFFAOYSA-N 0 0 236.315 2.041 50 0 BEAARN Cc1cc(C(=O)NC2CCC(C)CC2)no1 ZINC000013329543 362103213 /nfs/dbraw/zinc/10/32/13/362103213.db2.gz IGPBZHKGMFFTQB-UHFFFAOYSA-N 0 0 222.288 2.292 50 0 BEAARN Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)s1 ZINC000027395241 343116827 /nfs/dbraw/zinc/11/68/27/343116827.db2.gz FZPJESIPZVMNFX-SNVBAGLBSA-N 0 0 239.340 2.274 50 0 BEAARN Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)s1 ZINC000027395237 343117100 /nfs/dbraw/zinc/11/71/00/343117100.db2.gz FZPJESIPZVMNFX-JTQLQIEISA-N 0 0 239.340 2.274 50 0 BEAARN O=C(COc1ccc(F)cc1)Nc1ccccn1 ZINC000027652966 343123298 /nfs/dbraw/zinc/12/32/98/343123298.db2.gz ZLLKGNVJLJHLEQ-UHFFFAOYSA-N 0 0 246.241 2.238 50 0 BEAARN CCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000027906263 343125733 /nfs/dbraw/zinc/12/57/33/343125733.db2.gz HOXUNYYAZVMYEY-GXSJLCMTSA-N 0 0 237.299 2.139 50 0 BEAARN CC(C)c1ccccc1OCC(=O)NC1CC1 ZINC000028284500 343128330 /nfs/dbraw/zinc/12/83/30/343128330.db2.gz NTOQSWZUUDDLPA-UHFFFAOYSA-N 0 0 233.311 2.467 50 0 BEAARN C[C@H](NC(=O)CCc1ccco1)c1ccccn1 ZINC000028784187 343132832 /nfs/dbraw/zinc/13/28/32/343132832.db2.gz BVRUQNUVDIUUJZ-NSHDSACASA-N 0 0 244.294 2.485 50 0 BEAARN CCOc1ccccc1NC(=S)N(C)C ZINC000000611075 343138776 /nfs/dbraw/zinc/13/87/76/343138776.db2.gz BVMHGKVXZCHCFA-UHFFFAOYSA-N 0 0 224.329 2.344 50 0 BEAARN Cc1cnc(NC(=O)c2cc(C3CC3)[nH]n2)s1 ZINC000030565745 343181954 /nfs/dbraw/zinc/18/19/54/343181954.db2.gz QLZFYXJHGXBFMV-UHFFFAOYSA-N 0 0 248.311 2.304 50 0 BEAARN C[C@@H]1CSCCN1C(=O)Nc1ccncc1 ZINC000072291891 343157677 /nfs/dbraw/zinc/15/76/77/343157677.db2.gz SEIQEGMNJAUCTM-SECBINFHSA-N 0 0 237.328 2.051 50 0 BEAARN C1=C(c2ccccc2)N2CCN=C2S1 ZINC000000189103 187244502 /nfs/dbraw/zinc/24/45/02/187244502.db2.gz OZNXXVWKDIUAJB-UHFFFAOYSA-N 0 0 202.282 2.403 50 0 BEAARN CC1=CS(=O)(=O)c2ccc(Cl)cc21 ZINC000000161498 187243899 /nfs/dbraw/zinc/24/38/99/187243899.db2.gz GYZFDGWHPWNEKL-UHFFFAOYSA-N 0 0 214.673 2.488 50 0 BEAARN CC(C)CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000030513284 343177041 /nfs/dbraw/zinc/17/70/41/343177041.db2.gz FGQQOVNKXZQZNM-UHFFFAOYSA-N 0 0 233.271 2.056 50 0 BEAARN Cc1ccc(C)c(CC(=O)NC[C@@H]2CCCO2)c1 ZINC000030753874 343197583 /nfs/dbraw/zinc/19/75/83/343197583.db2.gz KXOUVQWHANSAFS-AWEZNQCLSA-N 0 0 247.338 2.141 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N1CCCCCC1 ZINC000002781736 187246311 /nfs/dbraw/zinc/24/63/11/187246311.db2.gz VPFYUMVBNNYCPW-UHFFFAOYSA-N 0 0 235.331 2.053 50 0 BEAARN CC(=O)NCc1ccc(-c2csc(N)n2)cc1 ZINC000003440393 187246317 /nfs/dbraw/zinc/24/63/17/187246317.db2.gz HUMWJQXFZYEKTO-UHFFFAOYSA-N 0 0 247.323 2.028 50 0 BEAARN Cc1cnc(C(=O)N[C@@H]2CCCC[C@H]2C)cn1 ZINC000003559872 187246359 /nfs/dbraw/zinc/24/63/59/187246359.db2.gz QPNVAPBAQNRRPC-MWLCHTKSSA-N 0 0 233.315 2.094 50 0 BEAARN Cc1cccc(-c2noc([C@@H](C)N)n2)c1 ZINC000004502267 187247269 /nfs/dbraw/zinc/24/72/69/187247269.db2.gz UXKQDXMWEOAKMQ-MRVPVSSYSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1cnn(C(=S)NCc2ccc(F)cc2)c1 ZINC000013330997 362125729 /nfs/dbraw/zinc/12/57/29/362125729.db2.gz RZKPOADLRCRHGN-UHFFFAOYSA-N 0 0 249.314 2.253 50 0 BEAARN C[n+]1c2ccccc2sc1SC(=O)[O-] ZINC000005677351 187247690 /nfs/dbraw/zinc/24/76/90/187247690.db2.gz INWBQVSTJJSPOA-UHFFFAOYSA-O 0 0 226.302 2.496 50 0 BEAARN CC(=O)Nc1c2nsnc2ccc1Cl ZINC000004841308 187247853 /nfs/dbraw/zinc/24/78/53/187247853.db2.gz GSQPORYNHPKRQP-UHFFFAOYSA-N 0 0 227.676 2.303 50 0 BEAARN Nc1nc(NCc2ccco2)nc2ccccc12 ZINC000003084372 343214510 /nfs/dbraw/zinc/21/45/10/343214510.db2.gz RVFTZDVQBKTWGC-UHFFFAOYSA-N 0 0 240.266 2.417 50 0 BEAARN CC1(C)OC(=O)N2NCc3ccccc3[C@@]21C ZINC000006668612 187248660 /nfs/dbraw/zinc/24/86/60/187248660.db2.gz SLMYQNUHXKWASE-CYBMUJFWSA-N 0 0 232.283 2.151 50 0 BEAARN CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000000794624 187244914 /nfs/dbraw/zinc/24/49/14/187244914.db2.gz OTGYGVMUOONBFU-UHFFFAOYSA-N 0 0 246.310 2.271 50 0 BEAARN Cc1cn2c(cccc2Br)n1 ZINC000030677921 343193474 /nfs/dbraw/zinc/19/34/74/343193474.db2.gz MWCDNYHSYJDDJP-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN O=Cc1ccc2[nH]nc(Br)c2c1 ZINC000031776801 343224320 /nfs/dbraw/zinc/22/43/20/343224320.db2.gz HUUXQTDSLDFUQW-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000031978839 343226989 /nfs/dbraw/zinc/22/69/89/343226989.db2.gz OAYGTNXJKHMFJA-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN CC(C)(C)C(=O)Oc1cccc(C=O)c1 ZINC000031975745 343227085 /nfs/dbraw/zinc/22/70/85/343227085.db2.gz ZBNVLZQFBZYFSC-UHFFFAOYSA-N 0 0 206.241 2.451 50 0 BEAARN CC1N=NC(=O)O[C@@]1(C)CCc1ccccc1 ZINC000012416848 187250875 /nfs/dbraw/zinc/25/08/75/187250875.db2.gz XQPUETWVLCRNFJ-ZDUSSCGKSA-N 0 0 232.283 2.494 50 0 BEAARN CCOc1ncccc1C(=O)N[C@@H](C)CC ZINC000032666547 343239859 /nfs/dbraw/zinc/23/98/59/343239859.db2.gz BRQBZYQYZRPHMK-VIFPVBQESA-N 0 0 222.288 2.009 50 0 BEAARN Cc1occc1C(=O)N1CCC[C@H](C)C1 ZINC000032747704 343241681 /nfs/dbraw/zinc/24/16/81/343241681.db2.gz PHAXTDFSYBLZCT-VIFPVBQESA-N 0 0 207.273 2.460 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2ccoc2)o1 ZINC000032841425 343243034 /nfs/dbraw/zinc/24/30/34/343243034.db2.gz RRQDBIPLZQJCJZ-UHFFFAOYSA-N 0 0 219.240 2.453 50 0 BEAARN Cc1cc(C(=O)N(C)C)c2cnn(C(C)C)c2n1 ZINC000032859712 343243057 /nfs/dbraw/zinc/24/30/57/343243057.db2.gz WUGBUPCVZUKACX-UHFFFAOYSA-N 0 0 246.314 2.022 50 0 BEAARN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)cc1 ZINC000013319995 187250322 /nfs/dbraw/zinc/25/03/22/187250322.db2.gz RJDRLSHRAYLXIA-GWCFXTLKSA-N 0 0 249.310 2.051 50 0 BEAARN CC(C)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000012118570 187250432 /nfs/dbraw/zinc/25/04/32/187250432.db2.gz CHWXREKXXBWKGQ-QMMMGPOBSA-N 0 0 248.282 2.001 50 0 BEAARN CC(C)[C@H](N)c1nc(-c2ccccc2)no1 ZINC000019785547 187252426 /nfs/dbraw/zinc/25/24/26/187252426.db2.gz ORHFAVJIUVVIMO-JTQLQIEISA-N 0 0 217.272 2.392 50 0 BEAARN CC1(C)CN(Cc2ccccc2)CCC1=O ZINC000033961884 343263416 /nfs/dbraw/zinc/26/34/16/343263416.db2.gz YKQMBPQMCWGNDY-UHFFFAOYSA-N 0 0 217.312 2.488 50 0 BEAARN CCOC(=O)/C=C/c1cc(F)ccc1O ZINC000034130977 343265040 /nfs/dbraw/zinc/26/50/40/343265040.db2.gz WPJUITWUKANQHJ-ZZXKWVIFSA-N 0 0 210.204 2.108 50 0 BEAARN Clc1nccn2c(Br)cnc12 ZINC000034146751 343265599 /nfs/dbraw/zinc/26/55/99/343265599.db2.gz MCEGPQSPRNOFMG-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN O=C1CS[C@H](c2ccccc2Cl)N1 ZINC000000277876 343269203 /nfs/dbraw/zinc/26/92/03/343269203.db2.gz OPQBLXBNKLNROR-SECBINFHSA-N 0 0 213.689 2.202 50 0 BEAARN CCCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019792289 343271454 /nfs/dbraw/zinc/27/14/54/343271454.db2.gz DQXACBJQQWXRHG-UHFFFAOYSA-N 0 0 246.354 2.131 50 0 BEAARN COC(=O)/C(=C/C=C/c1cccs1)C(C)=O ZINC000022258560 343272431 /nfs/dbraw/zinc/27/24/31/343272431.db2.gz XRYJIQVVSJHSPV-RBMCBPMHSA-N 0 0 236.292 2.450 50 0 BEAARN C[C@H](CCc1ccc(C[NH3+])s1)CC(=O)[O-] ZINC000003172406 343272915 /nfs/dbraw/zinc/27/29/15/343272915.db2.gz FXUQWQJZPOBVIO-MRVPVSSYSA-N 0 0 227.329 2.250 50 0 BEAARN CC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000036439324 343318685 /nfs/dbraw/zinc/31/86/85/343318685.db2.gz CKHYGWMWQKVMQE-JTQLQIEISA-N 0 0 227.304 2.365 50 0 BEAARN CCNc1ccc(Br)cn1 ZINC000020552434 187254207 /nfs/dbraw/zinc/25/42/07/187254207.db2.gz PTXWZJGCLYCDFV-UHFFFAOYSA-N 0 0 201.067 2.276 50 0 BEAARN Nc1ccc(F)c(C(=O)N2CCCCCC2)c1 ZINC000035651247 343301240 /nfs/dbraw/zinc/30/12/40/343301240.db2.gz YUVABIMESSBNOY-UHFFFAOYSA-N 0 0 236.290 2.424 50 0 BEAARN O=c1ccc(-c2ccc(F)c(Cl)c2)n[nH]1 ZINC000036168300 343311196 /nfs/dbraw/zinc/31/11/96/343311196.db2.gz KRLDXKPZBLMJRE-UHFFFAOYSA-N 0 0 224.622 2.229 50 0 BEAARN Nc1cc2c(cc1Br)C(=O)CC2 ZINC000038763746 343379076 /nfs/dbraw/zinc/37/90/76/343379076.db2.gz CCOFLYKTUCBGSG-UHFFFAOYSA-N 0 0 226.073 2.160 50 0 BEAARN Cc1c(Br)ccc2nccn21 ZINC000034466073 187257229 /nfs/dbraw/zinc/25/72/29/187257229.db2.gz UGRZKLCCPTTZKM-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCCCCC1 ZINC000038086513 343369576 /nfs/dbraw/zinc/36/95/76/343369576.db2.gz KMCAFQUDBCUIJD-ZDUSSCGKSA-N 0 0 249.310 2.394 50 0 BEAARN CC(C)(C)OC(=O)NCc1ccc(O)cc1 ZINC000038221510 343372745 /nfs/dbraw/zinc/37/27/45/343372745.db2.gz PONJIMVVHPQAJL-UHFFFAOYSA-N 0 0 223.272 2.417 50 0 BEAARN Nc1ccnn1-c1ccc(Br)cc1 ZINC000037245393 343340990 /nfs/dbraw/zinc/34/09/90/343340990.db2.gz NDYDXWBWGGKTCD-UHFFFAOYSA-N 0 0 238.088 2.217 50 0 BEAARN Cc1ccc(C2=NO[C@@H](C(C)(C)O)C2)cc1 ZINC000214080195 178513799 /nfs/dbraw/zinc/51/37/99/178513799.db2.gz KPPKDLAMDIWKON-GFCCVEGCSA-N 0 0 219.284 2.259 50 0 BEAARN COc1ccc(Br)c(C(N)=S)c1 ZINC000032627574 187256163 /nfs/dbraw/zinc/25/61/63/187256163.db2.gz HJNMFXMNMSKPPG-UHFFFAOYSA-N 0 0 246.129 2.092 50 0 BEAARN CC(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000037695103 343351799 /nfs/dbraw/zinc/35/17/99/343351799.db2.gz MQZMQRPCNLHVND-KBPBESRZSA-N 0 0 249.310 2.327 50 0 BEAARN Cn1cccc1C(=O)NCc1cccs1 ZINC000032994401 343353591 /nfs/dbraw/zinc/35/35/91/343353591.db2.gz DBMQBHMOENWVRA-UHFFFAOYSA-N 0 0 220.297 2.017 50 0 BEAARN Cc1ccc(CC(=O)NCc2ccccn2)cc1 ZINC000000466317 178520485 /nfs/dbraw/zinc/52/04/85/178520485.db2.gz PILUWGMWRBQONS-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN CC(=O)C(C)(C)C(=O)OCc1ccccc1 ZINC000034102140 187257454 /nfs/dbraw/zinc/25/74/54/187257454.db2.gz JAWBEXQPAJTVNM-UHFFFAOYSA-N 0 0 220.268 2.345 50 0 BEAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000013320713 346935197 /nfs/dbraw/zinc/93/51/97/346935197.db2.gz LVDUZNUYEZFSMY-SNVBAGLBSA-N 0 0 241.356 2.400 50 0 BEAARN COc1cc(F)c(C=O)cc1Br ZINC000038882180 343380372 /nfs/dbraw/zinc/38/03/72/343380372.db2.gz MUHOGOFEMSTOPZ-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN O=C(OCc1ccccc1)N1CCCC1 ZINC000039075511 343381632 /nfs/dbraw/zinc/38/16/32/343381632.db2.gz VALPXRNQZYGXPS-UHFFFAOYSA-N 0 0 205.257 2.419 50 0 BEAARN Nc1ccccc1NC(=O)Nc1ccccc1N ZINC000039151257 343386412 /nfs/dbraw/zinc/38/64/12/343386412.db2.gz YREQWCBLUBNIOI-UHFFFAOYSA-N 0 0 242.282 2.495 50 0 BEAARN COc1c(O)cccc1Br ZINC000039321068 343388693 /nfs/dbraw/zinc/38/86/93/343388693.db2.gz KCHTZHONAUQNTD-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN Cn1ccc2c1nc(Cl)nc2Cl ZINC000040449714 343404024 /nfs/dbraw/zinc/40/40/24/343404024.db2.gz WIROGLUDZOMAPT-UHFFFAOYSA-N 0 0 202.044 2.275 50 0 BEAARN Cc1ccc(NC(=O)N2CCOC[C@@H]2C)cc1 ZINC000040505491 343405798 /nfs/dbraw/zinc/40/57/98/343405798.db2.gz LSLGZGMIMPGLAS-NSHDSACASA-N 0 0 234.299 2.248 50 0 BEAARN Cc1ccc2nc(C(=O)NCCC(C)C)cn2c1 ZINC000097939136 343409512 /nfs/dbraw/zinc/40/95/12/343409512.db2.gz NKCJQAFXMLDMAK-UHFFFAOYSA-N 0 0 245.326 2.419 50 0 BEAARN Cc1ccc2cc(S(=O)(=O)N(C)C)ccc2c1 ZINC000041096410 343415531 /nfs/dbraw/zinc/41/55/31/343415531.db2.gz GSXZKGGOUVZUCJ-UHFFFAOYSA-N 0 0 249.335 2.399 50 0 BEAARN O=C(c1ccccc1)N1CCCCCO1 ZINC000335735397 136350293 /nfs/dbraw/zinc/35/02/93/136350293.db2.gz KDIJJYXTPOOZNW-UHFFFAOYSA-N 0 0 205.257 2.244 50 0 BEAARN Cc1nnc(CN2CCSCC[C@H]2C)s1 ZINC000335739709 136351684 /nfs/dbraw/zinc/35/16/84/136351684.db2.gz KEBPAWCQJPXFFU-MRVPVSSYSA-N 0 0 243.401 2.174 50 0 BEAARN Cn1nccc1CN1CCCC[C@H]1C(F)F ZINC000335707704 136336633 /nfs/dbraw/zinc/33/66/33/136336633.db2.gz PYDINCHCEGZJAY-JTQLQIEISA-N 0 0 229.274 2.040 50 0 BEAARN Clc1cncc(NCc2ccco2)n1 ZINC000042783988 343453498 /nfs/dbraw/zinc/45/34/98/343453498.db2.gz PEEZSSNXCUTRPK-UHFFFAOYSA-N 0 0 209.636 2.335 50 0 in-vitro BEAARN Nc1ccnc(Sc2ccccn2)c1 ZINC000043569675 343477753 /nfs/dbraw/zinc/47/77/53/343477753.db2.gz FIPQHRLWKOVLQN-UHFFFAOYSA-N 0 0 203.270 2.210 50 0 BEAARN O=C1C[C@@H](c2cccc(Br)c2)CN1 ZINC000044136855 343492977 /nfs/dbraw/zinc/49/29/77/343492977.db2.gz OKCQAQCUYZLTCI-MRVPVSSYSA-N 0 0 240.100 2.053 50 0 BEAARN COc1ccc([C@H](O)[C@@H](C)n2cccn2)cc1 ZINC000044182802 343494723 /nfs/dbraw/zinc/49/47/23/343494723.db2.gz GDISAVSZXXPIDU-ZWNOBZJWSA-N 0 0 232.283 2.186 50 0 BEAARN CC(C)Cc1c(N)onc1C(F)(F)F ZINC000043375984 343468770 /nfs/dbraw/zinc/46/87/70/343468770.db2.gz QCZNTACGHZQNFB-UHFFFAOYSA-N 0 0 208.183 2.474 50 0 BEAARN Nc1cc(-c2ccc(Cl)cc2)ncn1 ZINC000044262454 343496618 /nfs/dbraw/zinc/49/66/18/343496618.db2.gz HTWQXUINJKVXIO-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN Cn1ccc2cc(Br)ccc2c1=O ZINC000039121565 187262959 /nfs/dbraw/zinc/26/29/59/187262959.db2.gz XWALISSRSGMCSU-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN CSc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000045918776 343535730 /nfs/dbraw/zinc/53/57/30/343535730.db2.gz BGTDRUVYDOEVQF-UHFFFAOYSA-N 0 0 232.264 2.391 50 0 BEAARN CC(C)(C)c1cccc2c1NC(=O)C2=O ZINC000039198717 187263688 /nfs/dbraw/zinc/26/36/88/187263688.db2.gz PGFXVLYLDZCGJU-UHFFFAOYSA-N 0 0 203.241 2.119 50 0 BEAARN Cc1c(C=O)cnn1-c1ccccc1F ZINC000048218287 343573059 /nfs/dbraw/zinc/57/30/59/343573059.db2.gz NWCACSGIBNTRRQ-UHFFFAOYSA-N 0 0 204.204 2.132 50 0 BEAARN CN1C(=O)c2ccccc2N[C@@H]1c1cccnc1 ZINC000048375995 343579574 /nfs/dbraw/zinc/57/95/74/343579574.db2.gz WFAUTLZHYPJPAK-ZDUSSCGKSA-N 0 0 239.278 2.278 50 0 biogenic BEAARN CN1C(=O)c2ccccc2N[C@H]1c1cccnc1 ZINC000048375994 343579781 /nfs/dbraw/zinc/57/97/81/343579781.db2.gz WFAUTLZHYPJPAK-CYBMUJFWSA-N 0 0 239.278 2.278 50 0 biogenic BEAARN C/C=C/C=C\C(=O)NCc1cccc(OC)c1 ZINC000042236538 187266112 /nfs/dbraw/zinc/26/61/12/187266112.db2.gz GEUVNHGTGJVVBK-BEHOXYOFSA-N 0 0 231.295 2.444 50 0 BEAARN Cc1nsc(N2CC[C@H](C)C[C@H]2C)n1 ZINC000248003598 537797547 /nfs/dbraw/zinc/79/75/47/537797547.db2.gz GQAQDOWIHABMJE-JGVFFNPUSA-N 0 0 211.334 2.471 50 0 BEAARN CC1(C)Oc2ccc(NC(=O)NC3CC3)cc2O1 ZINC000048546981 187269445 /nfs/dbraw/zinc/26/94/45/187269445.db2.gz BHTTXYXUXWOZIW-UHFFFAOYSA-N 0 0 248.282 2.478 50 0 BEAARN CC(C)CSCCC(=O)N1CCSCC1 ZINC000049215655 187270072 /nfs/dbraw/zinc/27/00/72/187270072.db2.gz NRPUATMIDCCFJN-UHFFFAOYSA-N 0 0 247.429 2.341 50 0 BEAARN Cc1cccc(-c2nc(N)n(C(=O)C(C)C)n2)c1 ZINC000021804730 343742961 /nfs/dbraw/zinc/74/29/61/343742961.db2.gz SGOQXHXNPAKQEC-UHFFFAOYSA-N 0 0 244.298 2.132 50 0 BEAARN O=C(CCn1ccnc1)Nc1cccc(F)c1 ZINC000021916638 343778452 /nfs/dbraw/zinc/77/84/52/343778452.db2.gz WKVQAPLVTSEJAP-UHFFFAOYSA-N 0 0 233.246 2.051 50 0 BEAARN CSc1ncc2c(Cl)nccc2n1 ZINC000066054634 187273698 /nfs/dbraw/zinc/27/36/98/187273698.db2.gz PLQLDJOSXAPLFB-UHFFFAOYSA-N 0 0 211.677 2.400 50 0 BEAARN CC[C@@H](c1cccnc1)N(C)Cc1ncc[nH]1 ZINC000065500104 343787612 /nfs/dbraw/zinc/78/76/12/343787612.db2.gz SXTQDVMFFUYTRC-LBPRGKRZSA-N 0 0 230.315 2.388 50 0 BEAARN CSc1ccc(NC(=O)Nc2cn[nH]c2)cn1 ZINC000069775236 187274488 /nfs/dbraw/zinc/27/44/88/187274488.db2.gz ZSQDWLZZFQTYNO-UHFFFAOYSA-N 0 0 249.299 2.171 50 0 BEAARN CC(C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000065539924 187274196 /nfs/dbraw/zinc/27/41/96/187274196.db2.gz PBWSTVFZNSYYQA-UHFFFAOYSA-N 0 0 224.373 2.274 50 0 BEAARN CC(=O)N(C1=NCCS1)c1ccccc1 ZINC000000245456 537819546 /nfs/dbraw/zinc/81/95/46/537819546.db2.gz OWAOWCFAHMIDRQ-UHFFFAOYSA-N 0 0 220.297 2.142 50 0 BEAARN CCN(CC)c1ccc(C(=O)N[C@@H]2C[C@H]2C)cn1 ZINC000072094592 187276564 /nfs/dbraw/zinc/27/65/64/187276564.db2.gz WBZZJFMIJREPNF-ZYHUDNBSSA-N 0 0 247.342 2.066 50 0 BEAARN Cn1ncnc1NCc1ccc(Cl)cc1 ZINC000095990327 343884410 /nfs/dbraw/zinc/88/44/10/343884410.db2.gz CVBHKLXNNIRCTR-UHFFFAOYSA-N 0 0 222.679 2.081 50 0 BEAARN C/C(=C/C=C(C#N)C#N)c1cc(C#N)c(N)o1 ZINC000000968667 537827573 /nfs/dbraw/zinc/82/75/73/537827573.db2.gz KWNHPLRWRWAJHX-WAPJZHGLSA-N 0 0 224.223 2.110 50 0 BEAARN CC(=O)Nc1ccc(-c2n[nH]c(=S)n2C)cc1 ZINC000000551454 347003243 /nfs/dbraw/zinc/00/32/43/347003243.db2.gz ZQBKRIUMZVGJKP-UHFFFAOYSA-N 0 0 248.311 2.103 50 0 BEAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(N)=O ZINC000000551310 347003460 /nfs/dbraw/zinc/00/34/60/347003460.db2.gz KQWPYXBWZWLRMZ-JTQLQIEISA-N 0 0 228.295 2.382 50 0 BEAARN CCc1cnc(-c2ccc(F)c(CO)c2)nc1 ZINC000067804289 343905434 /nfs/dbraw/zinc/90/54/34/343905434.db2.gz VJXMSGKXQJYZEP-UHFFFAOYSA-N 0 0 232.258 2.337 50 0 BEAARN FC(F)c1cnc(N[C@@H]2CC23CC3)nc1 ZINC000335106574 343928392 /nfs/dbraw/zinc/92/83/92/343928392.db2.gz FSXXAUHBPQCKHN-SSDOTTSWSA-N 0 0 211.215 2.379 50 0 BEAARN CC(=O)c1cc(Br)c(F)cc1O ZINC000082164323 187281280 /nfs/dbraw/zinc/28/12/80/187281280.db2.gz LXEWOXSXBATWKM-UHFFFAOYSA-N 0 0 233.036 2.496 50 0 BEAARN COCc1ccc(CNC(=O)C=C(C)C)cc1 ZINC000033190038 343965813 /nfs/dbraw/zinc/96/58/13/343965813.db2.gz KRFNXHDQXJHWOF-UHFFFAOYSA-N 0 0 233.311 2.415 50 0 BEAARN CC[C@@H](O)CNc1nc(C)cc(C2CCC2)n1 ZINC000071763829 343967738 /nfs/dbraw/zinc/96/77/38/343967738.db2.gz CNNLILMJUSFWRW-LLVKDONJSA-N 0 0 235.331 2.235 50 0 BEAARN O=C(Oc1ccc2n[nH]cc2c1)c1cscn1 ZINC000079075467 344107122 /nfs/dbraw/zinc/10/71/22/344107122.db2.gz JSJNDWLRTGHBTH-UHFFFAOYSA-N 0 0 245.263 2.239 50 0 BEAARN O=C(c1ccco1)n1c(=S)nc2ccccn21 ZINC000000054485 344116623 /nfs/dbraw/zinc/11/66/23/344116623.db2.gz OAZYEFWJQUUASI-UHFFFAOYSA-N 0 0 245.263 2.147 50 0 BEAARN COc1ccc2ccn(CCCF)c(=O)c2c1 ZINC000092333455 344096850 /nfs/dbraw/zinc/09/68/50/344096850.db2.gz VTVZIZCRUGPGTL-UHFFFAOYSA-N 0 0 235.258 2.370 50 0 BEAARN CCCc1onc(C)c1C(=O)N1CCCC1 ZINC000097212784 344097106 /nfs/dbraw/zinc/09/71/06/344097106.db2.gz SJGVSEQXRJMYBK-UHFFFAOYSA-N 0 0 222.288 2.172 50 0 BEAARN CC(C)[C@@H](CNC(N)=O)Cc1ccccc1 ZINC000188918751 344099899 /nfs/dbraw/zinc/09/98/99/344099899.db2.gz MVOFZDGZVYIDSW-GFCCVEGCSA-N 0 0 220.316 2.170 50 0 BEAARN CC(=O)Oc1ccc2c(cc(C)n2C)c1 ZINC000000050862 344100166 /nfs/dbraw/zinc/10/01/66/344100166.db2.gz GLEKQOJQCKGACM-UHFFFAOYSA-N 0 0 203.241 2.412 50 0 BEAARN C=CC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000585140737 344171614 /nfs/dbraw/zinc/17/16/14/344171614.db2.gz MEDREUPGOSAUEQ-OAHLLOKOSA-N 0 0 243.306 2.221 50 0 BEAARN CC(C)c1cccc(OC[C@@H]2CNC(=O)C2)c1 ZINC000585137456 344149232 /nfs/dbraw/zinc/14/92/32/344149232.db2.gz ZWMACNTXRKDRRM-NSHDSACASA-N 0 0 233.311 2.325 50 0 BEAARN Cc1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)no1 ZINC000098018864 187289516 /nfs/dbraw/zinc/28/95/16/187289516.db2.gz MWIOJYUTPGIFQY-GHMZBOCLSA-N 0 0 234.299 2.245 50 0 BEAARN Cc1ccc(C)c(CC(=O)Nc2cnccn2)c1 ZINC000097146268 187289789 /nfs/dbraw/zinc/28/97/89/187289789.db2.gz DICYOVRUGXAWBM-UHFFFAOYSA-N 0 0 241.294 2.275 50 0 BEAARN CCOc1ccc(/C=C2\SC(=N)NC2=O)cc1 ZINC000004784574 344238797 /nfs/dbraw/zinc/23/87/97/344238797.db2.gz SPTUNPUQTVRNHF-YFHOEESVSA-N 0 0 248.307 2.224 50 0 BEAARN O=C1CCCc2[nH]nc(-c3ccc(O)cc3)c21 ZINC000000106117 344248081 /nfs/dbraw/zinc/24/80/81/344248081.db2.gz RWMIEITUMUCUQC-UHFFFAOYSA-N 0 0 228.251 2.301 50 0 BEAARN Cc1ccc(Cc2nnc(N)s2)cc1 ZINC000003716267 178655909 /nfs/dbraw/zinc/65/59/09/178655909.db2.gz NKGWYLDUGQTJMM-UHFFFAOYSA-N 0 0 205.286 2.020 50 0 BEAARN Cc1ccc2oc(=O)cc(Cn3ccnc3)c2c1 ZINC000011535815 344352408 /nfs/dbraw/zinc/35/24/08/344352408.db2.gz QGBSTUSTJCVXPO-UHFFFAOYSA-N 0 0 240.262 2.346 50 0 biogenic BEAARN CCN(CC)C(=S)S[C@@H]1C[C@@H](C)OC1=O ZINC000072685738 344303060 /nfs/dbraw/zinc/30/30/60/344303060.db2.gz LWYQSYPRAPNDIA-HTQZYQBOSA-N 0 0 247.385 2.050 50 0 BEAARN C[C@H](CC(=O)N1C[C@H](C)C[C@H](C)C1)n1ccnc1 ZINC000032719841 344443631 /nfs/dbraw/zinc/44/36/31/344443631.db2.gz SMVYFMQBXXEXOV-FRRDWIJNSA-N 0 0 249.358 2.339 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCc1cc(F)ccc1F ZINC000084686910 344460527 /nfs/dbraw/zinc/46/05/27/344460527.db2.gz GYWCRMAOCIDPNC-XVKPBYJWSA-N 0 0 225.238 2.237 50 0 BEAARN C[C@@H]1CCC[C@H](OCC(=O)N2CCCC2)C1 ZINC000084689632 344461097 /nfs/dbraw/zinc/46/10/97/344461097.db2.gz NVTZYABFJBSWBE-NEPJUHHUSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@H]1C[C@H](C(=O)N[C@@H]2CC[C@H]2O)CC(C)(C)C1 ZINC000425050343 192071866 /nfs/dbraw/zinc/07/18/66/192071866.db2.gz NQSXMJSMRBSUIJ-NNYUYHANSA-N 0 0 239.359 2.088 50 0 BEAARN Cc1nc(C(N)=O)ccc1-c1cc(F)cc(F)c1 ZINC000072233464 344519289 /nfs/dbraw/zinc/51/92/89/344519289.db2.gz RZNYFKZMZMODFX-UHFFFAOYSA-N 0 0 248.232 2.434 50 0 BEAARN CCn1nccc1NC(=O)[C@H]1CC=CCC1 ZINC000072242246 344520980 /nfs/dbraw/zinc/52/09/80/344520980.db2.gz HRDUKYXZLSZDBD-JTQLQIEISA-N 0 0 219.288 2.198 50 0 BEAARN Cc1nc2c(sc(=S)n2C)c(N(C)C)n1 ZINC000000118009 344550588 /nfs/dbraw/zinc/55/05/88/344550588.db2.gz IZBCYVNWUBEPQG-UHFFFAOYSA-N 0 0 240.357 2.134 50 0 aggregator BEAARN Cc1cc(=O)[nH]c(=S)n1-c1ccccc1 ZINC000000174907 344595190 /nfs/dbraw/zinc/59/51/90/344595190.db2.gz KNYHXOFNESFOGH-UHFFFAOYSA-N 0 0 218.281 2.204 50 0 BEAARN CC(C)(C)C(=O)CSc1cccc[n+]1[O-] ZINC000000159525 344577150 /nfs/dbraw/zinc/57/71/50/344577150.db2.gz KBHJMDMBFNOYHC-UHFFFAOYSA-N 0 0 225.313 2.027 50 0 BEAARN Cc1cc(=O)cc(C)n1-c1ccc(O)cc1 ZINC000000168106 344587164 /nfs/dbraw/zinc/58/71/64/344587164.db2.gz MPECBZRQPNPTCM-UHFFFAOYSA-N 0 0 215.252 2.160 50 0 BEAARN Nc1ccc2oc(-c3ccc(N)cc3O)nc2c1 ZINC000000192348 344617915 /nfs/dbraw/zinc/61/79/15/344617915.db2.gz KXOUWRYSBDTFCY-UHFFFAOYSA-N 0 0 241.250 2.365 50 0 BEAARN CN1C(=O)O[C@@](C)(CCc2ccccc2)[C@]1(C)O ZINC000000117314 344643394 /nfs/dbraw/zinc/64/33/94/344643394.db2.gz MWGBNSPGDQBGNX-KBPBESRZSA-N 0 0 249.310 2.168 50 0 BEAARN CN1C(=O)O[C@@](C)(CCc2ccccc2)[C@@]1(C)O ZINC000000117318 344643498 /nfs/dbraw/zinc/64/34/98/344643498.db2.gz MWGBNSPGDQBGNX-UONOGXRCSA-N 0 0 249.310 2.168 50 0 BEAARN CC(C)c1ccc(Cn2ccnn2)cc1 ZINC000128035714 344720199 /nfs/dbraw/zinc/72/01/99/344720199.db2.gz NYDOMISXHZFGMU-UHFFFAOYSA-N 0 0 201.273 2.450 50 0 BEAARN CCSC1=N/C(=C/c2ccccc2)C(=O)N1 ZINC000000367393 344732623 /nfs/dbraw/zinc/73/26/23/344732623.db2.gz NOBLHNZMOKWDBT-CSKARUKUSA-N 0 0 232.308 2.266 50 0 BEAARN CCOC(=O)c1cc(OC)nc(C(F)(F)F)c1 ZINC000260293171 344815561 /nfs/dbraw/zinc/81/55/61/344815561.db2.gz AXTNDGKYVBNGCA-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CC2(F)F)cc1O ZINC000295259162 178742543 /nfs/dbraw/zinc/74/25/43/178742543.db2.gz HKGGQJCXMUPRBV-QMMMGPOBSA-N 0 0 227.210 2.294 50 0 BEAARN Nc1cc(Cl)cc(Br)c1O ZINC000034577421 537870126 /nfs/dbraw/zinc/87/01/26/537870126.db2.gz ISKCLWHHJKNMKI-UHFFFAOYSA-N 0 0 222.469 2.390 50 0 BEAARN CCc1cc2c([nH]c(SC)nc2=O)s1 ZINC000000387975 344885805 /nfs/dbraw/zinc/88/58/05/344885805.db2.gz UMSFICIFOLLTRV-UHFFFAOYSA-N 0 0 226.326 2.269 50 0 BEAARN Fc1ccc(-c2ccc(-n3cnnc3)nc2)cc1 ZINC000426733981 344929125 /nfs/dbraw/zinc/92/91/25/344929125.db2.gz HNHCXWDDQNWBLW-UHFFFAOYSA-N 0 0 240.241 2.468 50 0 BEAARN Cc1ccc(N[C@H]2CCCCNC2=O)cc1 ZINC000012538017 178778087 /nfs/dbraw/zinc/77/80/87/178778087.db2.gz YUVFGZMJRKFZBX-LBPRGKRZSA-N 0 0 218.300 2.076 50 0 BEAARN C=CC(=O)N[C@@H]1CCCc2sccc21 ZINC000061363979 344921694 /nfs/dbraw/zinc/92/16/94/344921694.db2.gz PWYKHMNRRYCNBT-SECBINFHSA-N 0 0 207.298 2.428 50 0 BEAARN O=C1NC2(CCCCC2)C(=O)N1CCC1CC1 ZINC000095992576 537877554 /nfs/dbraw/zinc/87/75/54/537877554.db2.gz LATSSZGLZCMOKX-UHFFFAOYSA-N 0 0 236.315 2.041 50 0 BEAARN O=C(CC1CCCCC1)N1CC(n2ccnc2)C1 ZINC000409421611 344968572 /nfs/dbraw/zinc/96/85/72/344968572.db2.gz DLZIOWKKQVXOMU-UHFFFAOYSA-N 0 0 247.342 2.237 50 0 BEAARN CC(C)=CCNc1ncnc(N)c1Cl ZINC000225491588 187296661 /nfs/dbraw/zinc/29/66/61/187296661.db2.gz BFOVBWISTXTASK-UHFFFAOYSA-N 0 0 212.684 2.090 50 0 BEAARN CC(=O)N1C[C@@]23C=C[C@@H](C[C@@H]2CC12CCCC2)O3 ZINC000000170517 187298262 /nfs/dbraw/zinc/29/82/62/187298262.db2.gz QLOISECRUXBCQN-IPYPFGDCSA-N 0 0 247.338 2.265 50 0 BEAARN COc1ccc(OC)c(C(F)(F)F)n1 ZINC000238385743 345034899 /nfs/dbraw/zinc/03/48/99/345034899.db2.gz NKQSAVBJINJYCP-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN Cc1ccc(O[C@@H](C)C(=O)N(C)C)cc1C ZINC000008480217 178817255 /nfs/dbraw/zinc/81/72/55/178817255.db2.gz GGPJSJQBYKIWGR-NSHDSACASA-N 0 0 221.300 2.159 50 0 BEAARN Cc1ccc([C@@H](C)NCc2noc(C)n2)o1 ZINC000096502745 178845144 /nfs/dbraw/zinc/84/51/44/178845144.db2.gz MAEQBWCOANFHJX-MRVPVSSYSA-N 0 0 221.260 2.130 50 0 BEAARN CCOC(=O)c1cc(OC)ncc1C(F)(F)F ZINC000260627342 345296185 /nfs/dbraw/zinc/29/61/85/345296185.db2.gz DMPBDPMCNNLNMB-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN Cc1ccc(SCC(=O)NC2CC2)cc1 ZINC000000616192 187301894 /nfs/dbraw/zinc/30/18/94/187301894.db2.gz TXKDSEDMOMHPFR-UHFFFAOYSA-N 0 0 221.325 2.366 50 0 BEAARN O=C(c1cccc(F)c1F)N1CCCC1 ZINC000000173643 345416856 /nfs/dbraw/zinc/41/68/56/345416856.db2.gz HIMBTZNXIVPALB-UHFFFAOYSA-N 0 0 211.211 2.201 50 0 BEAARN O=C(c1ccon1)N1CC[C@H]2CCCC[C@@H]21 ZINC000072057291 537903815 /nfs/dbraw/zinc/90/38/15/537903815.db2.gz ZZSDUACRBVLCLG-KOLCDFICSA-N 0 0 220.272 2.079 50 0 BEAARN Nc1nc2c(-c3cccc(F)c3)cccn2n1 ZINC000082730751 345715042 /nfs/dbraw/zinc/71/50/42/345715042.db2.gz MIWUJXYWEOUDCI-UHFFFAOYSA-N 0 0 228.230 2.118 50 0 BEAARN Cc1ccc([C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000035476414 178919146 /nfs/dbraw/zinc/91/91/46/178919146.db2.gz AFQKRAITQVQNDX-GFCCVEGCSA-N 0 0 239.340 2.092 50 0 BEAARN CCC(=O)N(C)[C@@H](COC)Cc1ccccc1 ZINC000189490890 345826068 /nfs/dbraw/zinc/82/60/68/345826068.db2.gz MAJXOLPRACPPDN-CYBMUJFWSA-N 0 0 235.327 2.113 50 0 BEAARN Cc1ncccc1CNc1cccc(CO)c1 ZINC000170608705 345871128 /nfs/dbraw/zinc/87/11/28/345871128.db2.gz KQNRQMKIURQGBB-UHFFFAOYSA-N 0 0 228.295 2.494 50 0 BEAARN C[C@H](CNc1ncccn1)Oc1ccc(F)cc1 ZINC000078474194 345876466 /nfs/dbraw/zinc/87/64/66/345876466.db2.gz QXLXKOMSBGDYIV-SNVBAGLBSA-N 0 0 247.273 2.495 50 0 BEAARN COc1cc(Br)cc(N)c1C ZINC000016678148 187311154 /nfs/dbraw/zinc/31/11/54/187311154.db2.gz CSQIETQHZSHSIA-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN Fc1cccnc1N1CCCSCC1 ZINC000084484254 345923880 /nfs/dbraw/zinc/92/38/80/345923880.db2.gz JZWHAWKBSFAIDK-UHFFFAOYSA-N 0 0 212.293 2.164 50 0 BEAARN C[C@@H]1CCCCN1C(=O)NO[C@@H]1CCCCO1 ZINC000166917402 345953560 /nfs/dbraw/zinc/95/35/60/345953560.db2.gz BYVAZLWJPPJEBV-GHMZBOCLSA-N 0 0 242.319 2.029 50 0 BEAARN CC(=O)Nc1ccc(O[C@@H]2COCC=C2C)cc1 ZINC000005241715 345953871 /nfs/dbraw/zinc/95/38/71/345953871.db2.gz QBTYIGJIFZDSDG-CQSZACIVSA-N 0 0 247.294 2.369 50 0 BEAARN COC(=O)c1ccc(F)c(Cn2ccnc2C)c1 ZINC000182025713 345931926 /nfs/dbraw/zinc/93/19/26/345931926.db2.gz WCXRBGBFJYUXFW-UHFFFAOYSA-N 0 0 248.257 2.166 50 0 BEAARN CCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccco1 ZINC000075572696 537930057 /nfs/dbraw/zinc/93/00/57/537930057.db2.gz HJXVRSSESMJLNA-LBPRGKRZSA-N 0 0 248.326 2.433 50 0 BEAARN CCCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000036076015 168541128 /nfs/dbraw/zinc/54/11/28/168541128.db2.gz MDPDTDCSFSZNRK-CYBMUJFWSA-N 0 0 233.311 2.387 50 0 BEAARN CCc1nc(COc2ccc(C)nc2CC)no1 ZINC000190778972 345984682 /nfs/dbraw/zinc/98/46/82/345984682.db2.gz FOZCHHCTNQNZBN-UHFFFAOYSA-N 0 0 247.298 2.477 50 0 BEAARN Cc1ccc2c(c1)nnn2C(=O)c1cccs1 ZINC000019909264 178960617 /nfs/dbraw/zinc/96/06/17/178960617.db2.gz ZZXNCTHQTGFRLJ-UHFFFAOYSA-N 0 0 243.291 2.490 50 0 BEAARN Cc1ccc2c(n1)sc1c2ncnc1N ZINC000004083135 178967006 /nfs/dbraw/zinc/96/70/06/178967006.db2.gz FBXWDYDNTNRGBD-UHFFFAOYSA-N 0 0 216.269 2.130 50 0 BEAARN CNC(=O)c1cnc(-c2cccs2)s1 ZINC000066607718 537940657 /nfs/dbraw/zinc/94/06/57/537940657.db2.gz AGFNNEVEUIYFSP-UHFFFAOYSA-N 0 0 224.310 2.231 50 0 BEAARN Cc1cccc(-c2noc([C@H](C)N)n2)c1 ZINC000004502268 179000437 /nfs/dbraw/zinc/00/04/37/179000437.db2.gz UXKQDXMWEOAKMQ-QMMMGPOBSA-N 0 0 203.245 2.065 50 0 BEAARN O=C1CCCCCN1CN1CCCCC1=S ZINC000005289885 346181592 /nfs/dbraw/zinc/18/15/92/346181592.db2.gz FENSLYFXURSXBE-UHFFFAOYSA-N 0 0 240.372 2.160 50 0 BEAARN Cc1ccc(NC(=O)CNC(=O)C(C)(C)C)cc1 ZINC000008778166 346182144 /nfs/dbraw/zinc/18/21/44/346182144.db2.gz JFDPTYRIVLGHLH-UHFFFAOYSA-N 0 0 248.326 2.096 50 0 BEAARN CONC(=O)N(Cc1ccccc1)C(C)C ZINC000167066860 346187770 /nfs/dbraw/zinc/18/77/70/346187770.db2.gz UPBXURKFOBSANI-UHFFFAOYSA-N 0 0 222.288 2.168 50 0 BEAARN O=[N+]([O-])c1ccc[nH]c1=NNc1ccccc1 ZINC000005331843 346189887 /nfs/dbraw/zinc/18/98/87/346189887.db2.gz FVBQPQIDICOLIY-UHFFFAOYSA-N 0 0 230.227 2.429 50 0 BEAARN Cc1cccc(C(=O)N(C)Cc2ccn(C)n2)c1 ZINC000002803250 179005633 /nfs/dbraw/zinc/00/56/33/179005633.db2.gz GCMWKDRDWZSVNB-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN CCOC(=O)[C@@H](C)Cc1cc(F)c(O)c(F)c1 ZINC000095629381 346217760 /nfs/dbraw/zinc/21/77/60/346217760.db2.gz REZNQKBGCOTNER-ZETCQYMHSA-N 0 0 244.237 2.412 50 0 BEAARN Cc1cccc(C=C2SC(=O)NC2=O)c1 ZINC000012343955 179002972 /nfs/dbraw/zinc/00/29/72/179002972.db2.gz TURIRIIGEMCNAC-TWGQIWQCSA-N 0 0 219.265 2.319 50 0 BEAARN Cc1cccc(C(=O)N2CCSCC2)c1 ZINC000049208982 179010629 /nfs/dbraw/zinc/01/06/29/179010629.db2.gz AGPIGVWYAXUAIE-UHFFFAOYSA-N 0 0 221.325 2.184 50 0 BEAARN Cc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000005547947 179012162 /nfs/dbraw/zinc/01/21/62/179012162.db2.gz CRTSCPLAEBMXEI-VXGBXAGGSA-N 0 0 233.311 2.244 50 0 BEAARN COC(=O)CCC(=O)c1c[nH]c2ccccc21 ZINC000005526137 346246221 /nfs/dbraw/zinc/24/62/21/346246221.db2.gz DWAIOVAHORFQQZ-UHFFFAOYSA-N 0 0 231.251 2.304 50 0 BEAARN CC1(NC(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000076017175 537959502 /nfs/dbraw/zinc/95/95/02/537959502.db2.gz CUOJDFMDPMNGDX-UHFFFAOYSA-N 0 0 241.294 2.155 50 0 BEAARN Cc1cccc(C(=O)NCC2CCOCC2)c1 ZINC000074861111 179016155 /nfs/dbraw/zinc/01/61/55/179016155.db2.gz IKKZBOZSDGKHPG-UHFFFAOYSA-N 0 0 233.311 2.151 50 0 BEAARN N=C(NN1CCCCC1)C(Cl)(Cl)Cl ZINC000005282858 346263741 /nfs/dbraw/zinc/26/37/41/346263741.db2.gz ZEQMHTRJFBQJGN-UHFFFAOYSA-N 0 0 244.553 2.324 50 0 BEAARN Cc1[nH]oc(=O)c1C=Nc1cccc(C)c1 ZINC000005588208 346266039 /nfs/dbraw/zinc/26/60/39/346266039.db2.gz MYTNWVFVCJAUMZ-XFFZJAGNSA-N 0 0 216.240 2.224 50 0 BEAARN Cc1cccc(C(=O)NC[C@H](O)CC(C)C)c1C ZINC000089686367 179018136 /nfs/dbraw/zinc/01/81/36/179018136.db2.gz GVRCJPCAEIKHGM-CYBMUJFWSA-N 0 0 249.354 2.440 50 0 BEAARN Cc1n[nH]c(C)c1CNC(=O)c1cccc(C)c1 ZINC000041532698 179019642 /nfs/dbraw/zinc/01/96/42/179019642.db2.gz YGOHJMORPITIOR-UHFFFAOYSA-N 0 0 243.310 2.265 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000016604677 179020546 /nfs/dbraw/zinc/02/05/46/179020546.db2.gz ISDUWWXJUQDUEQ-AAEUAGOBSA-N 0 0 233.311 2.292 50 0 BEAARN CC(=O)Nc1ccccc1-n1cccc1 ZINC000020865094 187319236 /nfs/dbraw/zinc/31/92/36/187319236.db2.gz NQJZVDQVWHOFTJ-UHFFFAOYSA-N 0 0 200.241 2.436 50 0 BEAARN CCSC1=NCCN1C(=O)c1ccccc1 ZINC000006791023 346288769 /nfs/dbraw/zinc/28/87/69/346288769.db2.gz GNXLIPBLBILNNI-UHFFFAOYSA-N 0 0 234.324 2.252 50 0 BEAARN COc1cccc(C(=O)NC2CCC2)c1F ZINC000334270161 133609509 /nfs/dbraw/zinc/60/95/09/133609509.db2.gz RTTBCCRKORZOCH-UHFFFAOYSA-N 0 0 223.247 2.117 50 0 BEAARN CCn1nccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000028575771 187320720 /nfs/dbraw/zinc/32/07/20/187320720.db2.gz HIXPLQJMNKWAHQ-GHMZBOCLSA-N 0 0 235.331 2.021 50 0 BEAARN Cc1nnc([C@H](C)N(C)Cc2cccc(C)n2)o1 ZINC000330978514 179069138 /nfs/dbraw/zinc/06/91/38/179069138.db2.gz IPQQCKKHVMLLCL-JTQLQIEISA-N 0 0 246.314 2.274 50 0 BEAARN CSc1nnnn1-c1c(C)cccc1C ZINC000000072413 346403769 /nfs/dbraw/zinc/40/37/69/346403769.db2.gz FIQQRUWRTMUTHB-UHFFFAOYSA-N 0 0 220.301 2.001 50 0 BEAARN Cc1cccc(C[N@H+]2CC=C(C(=O)[O-])CC2)c1 ZINC000021365141 179074226 /nfs/dbraw/zinc/07/42/26/179074226.db2.gz DQZRUPYVNPBNHP-UHFFFAOYSA-N 0 0 231.295 2.212 50 0 BEAARN Cc1ccc(NC(=O)c2ccco2)nc1 ZINC000000361721 346414977 /nfs/dbraw/zinc/41/49/77/346414977.db2.gz HLRFUTRZDZOVDA-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Cc1cccc(C[NH2+][C@H](C(=O)[O-])C(C)C)c1 ZINC000019787737 179099502 /nfs/dbraw/zinc/09/95/02/179099502.db2.gz ULLFDOWKVBFKOM-LBPRGKRZSA-N 0 0 221.300 2.194 50 0 BEAARN COc1ccc(-c2ccc(C=O)nc2)cc1C=O ZINC000725242428 537983666 /nfs/dbraw/zinc/98/36/66/537983666.db2.gz DGLIAOBDZJDUOA-UHFFFAOYSA-N 0 0 241.246 2.382 50 0 BEAARN O=C(CCSc1ccccc1)NC1CC1 ZINC000002985886 346536884 /nfs/dbraw/zinc/53/68/84/346536884.db2.gz XZUKVGLXOLJXJV-UHFFFAOYSA-N 0 0 221.325 2.447 50 0 BEAARN Cc1cccc(N(C)CCCn2ccnc2)n1 ZINC000158063323 179116297 /nfs/dbraw/zinc/11/62/97/179116297.db2.gz MJECPHTWJWPGHW-UHFFFAOYSA-N 0 0 230.315 2.113 50 0 BEAARN Cc1cc(N)nn1Cc1cccc(C)c1 ZINC000002538873 179109025 /nfs/dbraw/zinc/10/90/25/179109025.db2.gz DIJRRLXCLXOSAL-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN Cn1cc(C(=O)NCc2cccc(Cl)c2)cn1 ZINC000008077054 346553758 /nfs/dbraw/zinc/55/37/58/346553758.db2.gz YRKJVHVZZDMKFA-UHFFFAOYSA-N 0 0 249.701 2.004 50 0 BEAARN Cc1cccc(N2C(=O)CSC2=O)c1 ZINC000001052358 179120736 /nfs/dbraw/zinc/12/07/36/179120736.db2.gz NXSOMENTOSLKFO-UHFFFAOYSA-N 0 0 207.254 2.195 50 0 BEAARN O=C1CSC(=O)N1Cc1ccccc1F ZINC000004498572 346601422 /nfs/dbraw/zinc/60/14/22/346601422.db2.gz VJTWMNUDIIAJMS-UHFFFAOYSA-N 0 0 225.244 2.021 50 0 BEAARN CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCO1 ZINC000005384240 346615398 /nfs/dbraw/zinc/61/53/98/346615398.db2.gz VDSZZOQODSDCAO-LBPRGKRZSA-N 0 0 227.348 2.306 50 0 BEAARN CC(C)CN(CC(C)C)C(=O)[C@H]1CCCO1 ZINC000005384243 346615692 /nfs/dbraw/zinc/61/56/92/346615692.db2.gz VDSZZOQODSDCAO-GFCCVEGCSA-N 0 0 227.348 2.306 50 0 BEAARN Cc1cccc(NC(=O)NCc2ccccn2)n1 ZINC000097109195 179134195 /nfs/dbraw/zinc/13/41/95/179134195.db2.gz VTEPXQCURLGMBZ-UHFFFAOYSA-N 0 0 242.282 2.107 50 0 BEAARN Brc1ccnc(OCC2CC2)n1 ZINC000585681328 346653722 /nfs/dbraw/zinc/65/37/22/346653722.db2.gz IADVUVKUWFLMOK-UHFFFAOYSA-N 0 0 229.077 2.028 50 0 BEAARN Cc1cccc(NC(=O)COC(=O)C2CC2)c1C ZINC000003392829 179128716 /nfs/dbraw/zinc/12/87/16/179128716.db2.gz HVUCIJHYLPOKBC-UHFFFAOYSA-N 0 0 247.294 2.195 50 0 BEAARN Cc1cccc(NC(=O)COc2ccccc2)n1 ZINC000000170936 179129385 /nfs/dbraw/zinc/12/93/85/179129385.db2.gz CVRGYRFEFGONQO-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN O=c1cc(N2CCCCC2)[nH]n1-c1ccccc1 ZINC000003160303 346668714 /nfs/dbraw/zinc/66/87/14/346668714.db2.gz SHLLXVVESYBPBO-UHFFFAOYSA-N 0 0 243.310 2.223 50 0 BEAARN Cc1cccc(NC(=O)N2CCO[C@H](C)C2)c1 ZINC000024014583 179132539 /nfs/dbraw/zinc/13/25/39/179132539.db2.gz MPYHNMVMBBWECH-LLVKDONJSA-N 0 0 234.299 2.248 50 0 BEAARN CCS(=O)(=O)Nc1c(C)cccc1C ZINC000000482851 346704143 /nfs/dbraw/zinc/70/41/43/346704143.db2.gz RBUUABRZFRBKPX-UHFFFAOYSA-N 0 0 213.302 2.065 50 0 BEAARN CCCC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000097084753 168564617 /nfs/dbraw/zinc/56/46/17/168564617.db2.gz FFIYTWGGOATKGV-UHFFFAOYSA-N 0 0 244.298 2.221 50 0 BEAARN Cc1cccc(N[C@H]2SC(=O)N(C)C2=O)c1 ZINC000004450737 179159528 /nfs/dbraw/zinc/15/95/28/179159528.db2.gz RGMQJQCTVWKQPF-VIFPVBQESA-N 0 0 236.296 2.058 50 0 BEAARN Cc1cccc(O)c1NC(=O)[C@H]1CC1(F)F ZINC000295068755 179159782 /nfs/dbraw/zinc/15/97/82/179159782.db2.gz ZVNXUUCZSNELKR-SSDOTTSWSA-N 0 0 227.210 2.294 50 0 BEAARN Cc1cccc(OCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000040161792 179167474 /nfs/dbraw/zinc/16/74/74/179167474.db2.gz IMIYYNWKYBWOJH-ZIAGYGMSSA-N 0 0 249.354 2.483 50 0 BEAARN Cc1cccc(Nc2ncnc3n[nH]cc32)c1 ZINC000002476507 179158390 /nfs/dbraw/zinc/15/83/90/179158390.db2.gz VNNZXPHIUPTTOQ-UHFFFAOYSA-N 0 0 225.255 2.357 50 0 BEAARN Cc1cccc(O[C@@H](C)C(=O)NC2CC2)c1 ZINC000049535345 179173629 /nfs/dbraw/zinc/17/36/29/179173629.db2.gz PJNGRYTZUJYIAZ-JTQLQIEISA-N 0 0 219.284 2.041 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)Cc1ccccc1F ZINC000016577977 347194324 /nfs/dbraw/zinc/19/43/24/347194324.db2.gz SZQDLRZUWVPZLU-SECBINFHSA-N 0 0 245.319 2.044 50 0 BEAARN Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])c1C ZINC000261567823 179183381 /nfs/dbraw/zinc/18/33/81/179183381.db2.gz FEIAWAAKHWUUPE-MNOVXSKESA-N 0 0 221.300 2.427 50 0 BEAARN Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000172672676 179180643 /nfs/dbraw/zinc/18/06/43/179180643.db2.gz JQFVTMMGFKPIPX-YPMHNXCESA-N 0 0 233.311 2.463 50 0 BEAARN CCCC(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000000149466 168568076 /nfs/dbraw/zinc/56/80/76/168568076.db2.gz UHEFSNIYCNMYSL-SSDOTTSWSA-N 0 0 241.316 2.128 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@](C)(CO)CC1 ZINC000110916292 347341862 /nfs/dbraw/zinc/34/18/62/347341862.db2.gz SOZHSJRQGGNDRX-ZDUSSCGKSA-N 0 0 243.347 2.406 50 0 BEAARN Cc1cccc2c1ncnc2N1CCCO1 ZINC000096502640 179210138 /nfs/dbraw/zinc/21/01/38/179210138.db2.gz DAACHCUSTUGKJI-UHFFFAOYSA-N 0 0 215.256 2.080 50 0 BEAARN CCS(=O)(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020030077 347401886 /nfs/dbraw/zinc/40/18/86/347401886.db2.gz RUSJYUIFRXJVKS-MRVPVSSYSA-N 0 0 247.747 2.340 50 0 BEAARN CCc1cc2c(ncnc2NCCOC)s1 ZINC000019887477 347375147 /nfs/dbraw/zinc/37/51/47/347375147.db2.gz RGGCMOVUSJMVBA-UHFFFAOYSA-N 0 0 237.328 2.312 50 0 BEAARN CCCC(=O)c1cc(OC)c(OC)cc1O ZINC000071774150 168571020 /nfs/dbraw/zinc/57/10/20/168571020.db2.gz CVGLCMIUQNWDKA-UHFFFAOYSA-N 0 0 224.256 2.392 50 0 BEAARN Cc1cccc2nc(CSc3cn[nH]n3)cn21 ZINC000098019226 179230573 /nfs/dbraw/zinc/23/05/73/179230573.db2.gz UAXPEWKAERVGGC-UHFFFAOYSA-N 0 0 245.311 2.053 50 0 BEAARN Cc1ccccc1-c1n[nH]c(=S)n1C ZINC000005982056 179236771 /nfs/dbraw/zinc/23/67/71/179236771.db2.gz FRSXXJAMKPUGFF-UHFFFAOYSA-N 0 0 205.286 2.453 50 0 BEAARN Cc1ccccc1C(=O)N1CCSC1=S ZINC000026476382 179247378 /nfs/dbraw/zinc/24/73/78/179247378.db2.gz ZCMNWABWTJNGQB-UHFFFAOYSA-N 0 0 237.349 2.469 50 0 BEAARN Cc1ccccc1/C=C1/SC(=N)NC1=O ZINC000004953550 179244894 /nfs/dbraw/zinc/24/48/94/179244894.db2.gz YYUSYCQAGRHZFP-RMKNXTFCSA-N 0 0 218.281 2.134 50 0 BEAARN CCCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019773019 168572154 /nfs/dbraw/zinc/57/21/54/168572154.db2.gz DIDAPUTUUYJADA-MRVPVSSYSA-N 0 0 233.267 2.389 50 0 BEAARN Cc1ccccc1-c1nn2cnnc2s1 ZINC000004487443 179239334 /nfs/dbraw/zinc/23/93/34/179239334.db2.gz MOBJOKGWHFBZFK-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1ccccc1C(=O)N1CCSCC1 ZINC000049213107 179247916 /nfs/dbraw/zinc/24/79/16/179247916.db2.gz PATHHROZTUVVHB-UHFFFAOYSA-N 0 0 221.325 2.184 50 0 BEAARN Cc1cc(C)n(NC(=O)CCc2ccccc2)n1 ZINC000002780060 347513413 /nfs/dbraw/zinc/51/34/13/347513413.db2.gz WRSFVHMMCQROBS-UHFFFAOYSA-N 0 0 243.310 2.203 50 0 BEAARN Cc1ccccc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000016580352 179250747 /nfs/dbraw/zinc/25/07/47/179250747.db2.gz SIJYYDVQRNQKBK-AAEUAGOBSA-N 0 0 233.311 2.292 50 0 BEAARN Cc1ccccc1C(=O)Nc1nncs1 ZINC000000892666 179252482 /nfs/dbraw/zinc/25/24/82/179252482.db2.gz WMKRJLRISMFCDM-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1ccccc1CC(=O)NCC1CCOCC1 ZINC000074861176 179257433 /nfs/dbraw/zinc/25/74/33/179257433.db2.gz RTTVKNPZDLUMDI-UHFFFAOYSA-N 0 0 247.338 2.080 50 0 BEAARN COCCN(C(=O)CC1CC1)[C@@H]1CC[C@H](C)C1 ZINC000195580187 347642401 /nfs/dbraw/zinc/64/24/01/347642401.db2.gz GFCAHIYJZZLGMT-WCQYABFASA-N 0 0 239.359 2.450 50 0 BEAARN c1cn(Cc2ncc(-c3ccccc3)s2)nn1 ZINC000195568139 347647247 /nfs/dbraw/zinc/64/72/47/347647247.db2.gz UXEWIAPWYDKVIP-UHFFFAOYSA-N 0 0 242.307 2.450 50 0 BEAARN Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000006451548 179273086 /nfs/dbraw/zinc/27/30/86/179273086.db2.gz PMQYQFAXHRNQCW-ZDUSSCGKSA-N 0 0 233.311 2.292 50 0 BEAARN Cc1ccccc1CNC(=O)Nc1nncs1 ZINC000023310713 179279714 /nfs/dbraw/zinc/27/97/14/179279714.db2.gz CXDXZUPNGJYTSB-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN Cc1ccccc1COc1coc(CO)cc1=O ZINC000036262581 179287277 /nfs/dbraw/zinc/28/72/77/179287277.db2.gz WAZUUOUDIRRMAL-UHFFFAOYSA-N 0 0 246.262 2.020 50 0 BEAARN Cc1ccccc1Cn1nc2[nH]cccc-2c1=O ZINC000040555314 179292735 /nfs/dbraw/zinc/29/27/35/179292735.db2.gz FEADAOMKGFIRCC-UHFFFAOYSA-N 0 0 239.278 2.081 50 0 BEAARN Cc1ccccc1NC(=O)NC[C@@H]1CCCO1 ZINC000003958910 179300835 /nfs/dbraw/zinc/30/08/35/179300835.db2.gz NJABLNLHPFZSJL-NSHDSACASA-N 0 0 234.299 2.296 50 0 BEAARN Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCO1 ZINC000012982566 179319233 /nfs/dbraw/zinc/31/92/33/179319233.db2.gz UOFWAPXVZQBOSB-DGCLKSJQSA-N 0 0 233.311 2.351 50 0 BEAARN Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)[O-])C1 ZINC000262181807 179328356 /nfs/dbraw/zinc/32/83/56/179328356.db2.gz DTMSSQGFWMLVEJ-GFCCVEGCSA-N 0 0 233.311 2.259 50 0 BEAARN Cc1ccccc1[C@H](NS(C)(=O)=O)C(C)C ZINC000069871244 179344980 /nfs/dbraw/zinc/34/49/80/179344980.db2.gz NKIKIPYPSSQKLJ-GFCCVEGCSA-N 0 0 241.356 2.241 50 0 BEAARN Cc1cccn2cc(CNC(=O)C(C)(C)C)nc12 ZINC000002960804 179357418 /nfs/dbraw/zinc/35/74/18/179357418.db2.gz YCJLKBSKBMTBHR-UHFFFAOYSA-N 0 0 245.326 2.305 50 0 BEAARN Cc1cccn(Cc2ccc(F)cc2)c1=O ZINC000071516840 179351934 /nfs/dbraw/zinc/35/19/34/179351934.db2.gz RPPPXBULJWOQTI-UHFFFAOYSA-N 0 0 217.243 2.344 50 0 BEAARN Cc1cccn2c(Br)cnc12 ZINC000004024437 179354217 /nfs/dbraw/zinc/35/42/17/179354217.db2.gz LPEITAUQQRNUAI-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000203930899 348239316 /nfs/dbraw/zinc/23/93/16/348239316.db2.gz AVSBMNFJPHEFME-UHFFFAOYSA-N 0 0 229.201 2.222 50 0 BEAARN Cc1ccn(-c2ccc(N)cc2Cl)n1 ZINC000020351934 179399317 /nfs/dbraw/zinc/39/93/17/179399317.db2.gz KQPPAGYGHQTZEX-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@]1(C)C(C)(C)C ZINC000669382870 538005278 /nfs/dbraw/zinc/00/52/78/538005278.db2.gz FJSXTLALELLQNL-MNOVXSKESA-N 0 0 200.278 2.143 50 0 BEAARN Cc1ccnc(Sc2ccc(C=O)o2)n1 ZINC000004299127 179464866 /nfs/dbraw/zinc/46/48/66/179464866.db2.gz OOGYCWSHTHIGKG-UHFFFAOYSA-N 0 0 220.253 2.342 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@]1(CC)C(C)C ZINC000669383083 538006495 /nfs/dbraw/zinc/00/64/95/538006495.db2.gz GCSKYMVAGIXNJK-MNOVXSKESA-N 0 0 200.278 2.143 50 0 BEAARN Cc1ccoc1C(=O)NC1CC(F)(F)C1 ZINC000276962346 179505223 /nfs/dbraw/zinc/50/52/23/179505223.db2.gz DUSSXMMVTATWFD-UHFFFAOYSA-N 0 0 215.199 2.116 50 0 BEAARN Cc1cn2ccc(Br)cc2n1 ZINC000082373790 179567962 /nfs/dbraw/zinc/56/79/62/179567962.db2.gz WUWNXFKNYAWAAZ-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@]12CCC[C@H](C)C2 ZINC000669384611 538017384 /nfs/dbraw/zinc/01/73/84/538017384.db2.gz YRJFXUOEJCHNTJ-ZMLRMANQSA-N 0 0 212.289 2.287 50 0 BEAARN Cc1cnn(Cc2noc(-c3cccs3)n2)c1 ZINC000098013761 179743994 /nfs/dbraw/zinc/74/39/94/179743994.db2.gz AUSSYFQSAIEGAQ-UHFFFAOYSA-N 0 0 246.295 2.351 50 0 BEAARN Cn1c(Br)nc2ccccc21 ZINC000000301659 190969421 /nfs/dbraw/zinc/96/94/21/190969421.db2.gz PROLKELCEPYEQT-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Cc1csc(C(=O)Nc2cnoc2)c1 ZINC000075170801 179767157 /nfs/dbraw/zinc/76/71/57/179767157.db2.gz UQDNFRKFXLPODK-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN CNc1ncc(C(=O)c2ccccc2)s1 ZINC000001399949 190972181 /nfs/dbraw/zinc/97/21/81/190972181.db2.gz ACIORWSBZIKYKH-UHFFFAOYSA-N 0 0 218.281 2.416 50 0 BEAARN Cc1csc(NC(=O)COc2ccccc2)n1 ZINC000003562007 179784833 /nfs/dbraw/zinc/78/48/33/179784833.db2.gz XQBQJYBOWRZKNG-UHFFFAOYSA-N 0 0 248.307 2.469 50 0 BEAARN Cc1csc(NC(=O)CCc2ccncc2)n1 ZINC000040538640 179785102 /nfs/dbraw/zinc/78/51/02/179785102.db2.gz SMVHRRWJYAQORT-UHFFFAOYSA-N 0 0 247.323 2.418 50 0 BEAARN Cc1csc(NC(=O)c2ccccn2)n1 ZINC000006218908 179789646 /nfs/dbraw/zinc/78/96/46/179789646.db2.gz SVHJTVQLRGWULC-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN O=C(OCc1ccccc1)[C@H]1CC[C@@H](O)CC1 ZINC000142694323 349175064 /nfs/dbraw/zinc/17/50/64/349175064.db2.gz JTBAIIGZIKLABZ-JOCQHMNTSA-N 0 0 234.295 2.281 50 0 BEAARN Cc1nc(-c2c[nH]c(C(=O)N3CCC3)c2)cs1 ZINC000032780945 179861991 /nfs/dbraw/zinc/86/19/91/179861991.db2.gz HJEGTMNWIAYBGF-UHFFFAOYSA-N 0 0 247.323 2.293 50 0 BEAARN Cc1n[nH]c(C)c1CNC(=O)c1ccccc1F ZINC000041566981 179823231 /nfs/dbraw/zinc/82/32/31/179823231.db2.gz OCROSGZERFDEPE-UHFFFAOYSA-N 0 0 247.273 2.096 50 0 BEAARN O=C(OCc1ccccc1)N1CCCC[C@@H]1O ZINC000039187247 349284454 /nfs/dbraw/zinc/28/44/54/349284454.db2.gz DJHBQZYPXJJJMZ-LBPRGKRZSA-N 0 0 235.283 2.128 50 0 BEAARN FC(F)(F)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000031943951 190984504 /nfs/dbraw/zinc/98/45/04/190984504.db2.gz OLSZKLHMBQCERH-UHFFFAOYSA-N 0 0 244.172 2.353 50 0 BEAARN CSc1ncc2ccc(Cl)nc2n1 ZINC000064033905 191001333 /nfs/dbraw/zinc/00/13/33/191001333.db2.gz UNAVSLNMFZKAMD-UHFFFAOYSA-N 0 0 211.677 2.400 50 0 BEAARN CCCc1cnc(C)nc1N(C)Cc1ncc[nH]1 ZINC000065509352 191001691 /nfs/dbraw/zinc/00/16/91/191001691.db2.gz NVRDPVIRIYZRMX-UHFFFAOYSA-N 0 0 245.330 2.097 50 0 BEAARN CC[C@H]1CC(=O)NCc2nc3c(C)cccn3c21 ZINC000065530272 191001733 /nfs/dbraw/zinc/00/17/33/191001733.db2.gz BUATYSAFMYFDCD-JTQLQIEISA-N 0 0 243.310 2.156 50 0 BEAARN CC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000072336338 191005012 /nfs/dbraw/zinc/00/50/12/191005012.db2.gz IYRZZJDIRUBCPB-UHFFFAOYSA-N 0 0 241.600 2.057 50 0 BEAARN Cc1ccc(OCc2noc(C3CC3)n2)nc1 ZINC000077240619 191006480 /nfs/dbraw/zinc/00/64/80/191006480.db2.gz TXKQGMBXYHUQFQ-UHFFFAOYSA-N 0 0 231.255 2.229 50 0 BEAARN Cc1nc(CO)n(-c2ccc(C(C)C)cc2)n1 ZINC000065532265 179978404 /nfs/dbraw/zinc/97/84/04/179978404.db2.gz JHRGCWRZDURSML-UHFFFAOYSA-N 0 0 231.299 2.191 50 0 BEAARN Cc1nc(SCC(=O)NC(C)(C)C)oc1C ZINC000008334368 180028327 /nfs/dbraw/zinc/02/83/27/180028327.db2.gz NMAJRQCUOSIZEY-UHFFFAOYSA-N 0 0 242.344 2.298 50 0 BEAARN Cc1nc(N2CCCC2)nc2c1C(=O)C[C@H](C)C2 ZINC000010157009 180000571 /nfs/dbraw/zinc/00/05/71/180000571.db2.gz XKJAESFFNOOAJN-SECBINFHSA-N 0 0 245.326 2.150 50 0 BEAARN Cc1nc(N2CCCC2)nc(-c2cc[nH]n2)c1C ZINC000067770460 180001270 /nfs/dbraw/zinc/00/12/70/180001270.db2.gz JZXWYNPKGBRJLR-UHFFFAOYSA-N 0 0 243.314 2.084 50 0 BEAARN Cc1nc2c3ccccc3oc2c(NCCO)n1 ZINC000005155909 180017635 /nfs/dbraw/zinc/01/76/35/180017635.db2.gz GQUASOQRAVSESY-UHFFFAOYSA-N 0 0 243.266 2.089 50 0 BEAARN Cc1nc2c(o1)c1ccccc1oc2=O ZINC000006823468 180060539 /nfs/dbraw/zinc/06/05/39/180060539.db2.gz AWUBIGPQXCSCED-UHFFFAOYSA-N 0 0 201.181 2.243 50 0 BEAARN CC(=O)Nc1ccc(O)cc1C(F)(F)F ZINC000090759728 191023936 /nfs/dbraw/zinc/02/39/36/191023936.db2.gz ZZHBUEFJBPJXAR-UHFFFAOYSA-N 0 0 219.162 2.369 50 0 BEAARN Cc1nc2cc(Br)cnc2nc1C ZINC000000039795 180076305 /nfs/dbraw/zinc/07/63/05/180076305.db2.gz IRLVCCGMUBJXJZ-UHFFFAOYSA-N 0 0 238.088 2.404 50 0 BEAARN Cc1nc2cc(NC(=O)C3CC3)ccc2[nH]1 ZINC000065006698 180082657 /nfs/dbraw/zinc/08/26/57/180082657.db2.gz KPNXASAJEYFKQW-UHFFFAOYSA-N 0 0 215.256 2.220 50 0 BEAARN Cc1nc2cc(NC(=O)C(F)(F)F)ccc2[nH]1 ZINC000005490244 180095065 /nfs/dbraw/zinc/09/50/65/180095065.db2.gz TWJTYJSTUNWJHC-UHFFFAOYSA-N 0 0 243.188 2.372 50 0 BEAARN Cc1nc2nc(Br)ccc2o1 ZINC000074942574 180114805 /nfs/dbraw/zinc/11/48/05/180114805.db2.gz XXXLGAPIEGAEQL-UHFFFAOYSA-N 0 0 213.034 2.294 50 0 BEAARN Cc1nc2ccc3nsnc3c2nc1C ZINC000001256688 180099873 /nfs/dbraw/zinc/09/98/73/180099873.db2.gz UAKXZVNYWANNFP-UHFFFAOYSA-N 0 0 216.269 2.251 50 0 BEAARN Cc1nc2n(n1)[C@H](c1cccs1)C[C@H](C)N2 ZINC000095471674 180114701 /nfs/dbraw/zinc/11/47/01/180114701.db2.gz HMXQNWJJFLYVST-CBAPKCEASA-N 0 0 234.328 2.442 50 0 BEAARN Cc1nc2ccccc2n1-c1ncccc1O ZINC000065436159 180102156 /nfs/dbraw/zinc/10/21/56/180102156.db2.gz RMNYNRQQEDPMQW-UHFFFAOYSA-N 0 0 225.251 2.435 50 0 BEAARN Cc1nc2ccccc2c(=O)n1-c1ccncc1 ZINC000000351524 180102186 /nfs/dbraw/zinc/10/21/86/180102186.db2.gz YPGYCUAYTOACFL-UHFFFAOYSA-N 0 0 237.262 2.089 50 0 BEAARN Cc1ncc(C(=O)N[C@H]2CC[C@H](F)C2)s1 ZINC000336443267 180133708 /nfs/dbraw/zinc/13/37/08/180133708.db2.gz BGUBYWGFBZZGFJ-YUMQZZPRSA-N 0 0 228.292 2.072 50 0 BEAARN Cc1ncc(CCNC(=O)c2ccccc2)s1 ZINC000035287467 180136329 /nfs/dbraw/zinc/13/63/29/180136329.db2.gz RXWJWLMSNWHXKW-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN CC(=O)NCCOc1cc(F)cc(F)c1Cl ZINC000096191863 191055821 /nfs/dbraw/zinc/05/58/21/191055821.db2.gz SRVSAAOGYPJWQA-UHFFFAOYSA-N 0 0 249.644 2.133 50 0 BEAARN Cc1nc2ncnn2c(N2CCCCCC2)c1C ZINC000064555385 180115280 /nfs/dbraw/zinc/11/52/80/180115280.db2.gz RXEVVWNJDOCQRY-UHFFFAOYSA-N 0 0 245.330 2.122 50 0 BEAARN Cc1nc2ncnn2c(N[C@@H]2C=CCCC2)c1C ZINC000095411593 180115627 /nfs/dbraw/zinc/11/56/27/180115627.db2.gz XDHLKEUSWISJOV-LLVKDONJSA-N 0 0 243.314 2.262 50 0 BEAARN O=c1[nH]nc2c3cc(Cl)ccc3[nH]cc1-2 ZINC000101388872 191064156 /nfs/dbraw/zinc/06/41/56/191064156.db2.gz OZKOTNMUDXCUII-UHFFFAOYSA-N 0 0 219.631 2.009 50 0 BEAARN Cc1ncc(CNc2cccnc2)s1 ZINC000037796972 180160821 /nfs/dbraw/zinc/16/08/21/180160821.db2.gz SYLWQOREIWJUKU-UHFFFAOYSA-N 0 0 205.286 2.459 50 0 BEAARN Cc1ncc(CNC(=O)CC(C)C)s1 ZINC000032648412 180148446 /nfs/dbraw/zinc/14/84/46/180148446.db2.gz YJFXVUPHFSJLPX-UHFFFAOYSA-N 0 0 212.318 2.114 50 0 BEAARN Cc1nccc(N[C@H]2CCCCC[C@@H]2CO)n1 ZINC000097014137 180205193 /nfs/dbraw/zinc/20/51/93/180205193.db2.gz YOYHOGQSPJEWKD-NEPJUHHUSA-N 0 0 235.331 2.138 50 0 BEAARN Cc1ncc2c(c1O)CO[C@@H](C(C)C)OC2 ZINC000000088432 180178134 /nfs/dbraw/zinc/17/81/34/180178134.db2.gz JTDBGJWBSDBUQB-LBPRGKRZSA-N 0 0 223.272 2.125 50 0 BEAARN CCCCC(=O)NCc1cc(C2CC2)n(C)n1 ZINC000096099266 168620678 /nfs/dbraw/zinc/62/06/78/168620678.db2.gz CLTWYYDUGIBGCD-UHFFFAOYSA-N 0 0 235.331 2.104 50 0 BEAARN COc1ccc(OC)c(-c2nccnc2OC)c1 ZINC000426488255 191084781 /nfs/dbraw/zinc/08/47/81/191084781.db2.gz NGCCIOPBFSPTME-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN Cc1nccn1CCNC(=O)Nc1ccccc1 ZINC000049029902 180259042 /nfs/dbraw/zinc/25/90/42/180259042.db2.gz PFMNLUAUAVPULW-UHFFFAOYSA-N 0 0 244.298 2.013 50 0 BEAARN Cc1nccn1COCc1ccccc1 ZINC000034462623 180266276 /nfs/dbraw/zinc/26/62/76/180266276.db2.gz CVZMWXOKPUFNGJ-UHFFFAOYSA-N 0 0 202.257 2.366 50 0 BEAARN Cc1ncoc1C(=O)N[C@H](C)C(C)(C)C ZINC000072310160 180301453 /nfs/dbraw/zinc/30/14/53/180301453.db2.gz GRDNAFLPNQUMHM-MRVPVSSYSA-N 0 0 210.277 2.147 50 0 BEAARN Cc1ncsc1C(=O)N[C@@H](C)c1ccccn1 ZINC000040529650 180305987 /nfs/dbraw/zinc/30/59/87/180305987.db2.gz KSYKYNNJQMEOSC-QMMMGPOBSA-N 0 0 247.323 2.338 50 0 BEAARN CO[C@@H](C)c1ccc(-c2cc(N)ncn2)cc1 ZINC000426606672 191101419 /nfs/dbraw/zinc/10/14/19/191101419.db2.gz AOZCEYFFBWJYEU-VIFPVBQESA-N 0 0 229.283 2.264 50 0 BEAARN Cc1ccc(CC(=O)Nc2nccs2)cn1 ZINC000040554556 350375634 /nfs/dbraw/zinc/37/56/34/350375634.db2.gz JJSFVTGERFIUPT-UHFFFAOYSA-N 0 0 233.296 2.028 50 0 BEAARN Cc1nn(-c2ccccc2)c(N)c1N=O ZINC000100077675 180330061 /nfs/dbraw/zinc/33/00/61/180330061.db2.gz PKNDMLXSFRJDDY-UHFFFAOYSA-N 0 0 202.217 2.161 50 0 BEAARN Cc1nn(-c2ccccc2)c(Cl)c1CO ZINC000000536253 180330284 /nfs/dbraw/zinc/33/02/84/180330284.db2.gz MOMLHNYGSVMETK-UHFFFAOYSA-N 0 0 222.675 2.326 50 0 BEAARN Cc1nn(-c2ccccc2F)c(C)c1N ZINC000032010431 180331017 /nfs/dbraw/zinc/33/10/17/180331017.db2.gz BCCPNLJBTZZTET-UHFFFAOYSA-N 0 0 205.236 2.210 50 0 BEAARN Cc1nn(C)c(C)c1Cc1cccc(N)c1 ZINC000217043624 180342559 /nfs/dbraw/zinc/34/25/59/180342559.db2.gz WOXKJOWGMMSEKH-UHFFFAOYSA-N 0 0 215.300 2.210 50 0 BEAARN Cc1nn(C)c(C)c1CNc1cccc(O)c1 ZINC000020194127 180342609 /nfs/dbraw/zinc/34/26/09/180342609.db2.gz FZZKGPFKDPGSGZ-UHFFFAOYSA-N 0 0 231.299 2.355 50 0 BEAARN Nc1cc(F)ccc1-c1n[nH]c(C2CC2)n1 ZINC000041058759 350408757 /nfs/dbraw/zinc/40/87/57/350408757.db2.gz YRWDODWUCJPMKV-UHFFFAOYSA-N 0 0 218.235 2.070 50 0 BEAARN Cc1nn(C)c(Nc2c(F)cccc2F)c1N ZINC000036749234 180359723 /nfs/dbraw/zinc/35/97/23/180359723.db2.gz GGFIXCJRDBADGX-UHFFFAOYSA-N 0 0 238.241 2.333 50 0 BEAARN Cc1nn(C)c2c1nc(C1CC1)nc2NC1CC1 ZINC000072238300 180362038 /nfs/dbraw/zinc/36/20/38/180362038.db2.gz WEICFDSBISYNKP-UHFFFAOYSA-N 0 0 243.314 2.123 50 0 BEAARN Cc1nn(C2CCOCC2)cc1Br ZINC000211224012 180384612 /nfs/dbraw/zinc/38/46/12/180384612.db2.gz WFWOJNRIRMVBOG-UHFFFAOYSA-N 0 0 245.120 2.306 50 0 BEAARN Cc1nc(Cn2cnc3cc(C)c(C)cc32)no1 ZINC000041146299 350473309 /nfs/dbraw/zinc/47/33/09/350473309.db2.gz NOJMYINNMIWKLS-UHFFFAOYSA-N 0 0 242.282 2.393 50 0 BEAARN Cc1nn2c(nnc2-c2cccs2)s1 ZINC000004785155 180393373 /nfs/dbraw/zinc/39/33/73/180393373.db2.gz DRVVVUKIVYVHMN-UHFFFAOYSA-N 0 0 222.298 2.223 50 0 BEAARN Cc1nn2c(nnc2-c2cccc(F)c2)s1 ZINC000040287614 180393408 /nfs/dbraw/zinc/39/34/08/180393408.db2.gz NQADJMWPTGBRKI-UHFFFAOYSA-N 0 0 234.259 2.300 50 0 BEAARN CC(=O)Nc1cc2[nH]c(=O)cc(C)c2cc1C ZINC000000200483 191107962 /nfs/dbraw/zinc/10/79/62/191107962.db2.gz PXDMRVPCJPVUKD-UHFFFAOYSA-N 0 0 230.267 2.103 50 0 biogenic BEAARN Cc1nnc2c3ccccc3c(Cl)nn12 ZINC000000194313 180448015 /nfs/dbraw/zinc/44/80/15/180448015.db2.gz KBOSDDNHLXFFIB-UHFFFAOYSA-N 0 0 218.647 2.239 50 0 BEAARN Cc1noc(C(C)C)c1C(=O)Nc1cnn(C)c1 ZINC000025306757 180462051 /nfs/dbraw/zinc/46/20/51/180462051.db2.gz VYHWHOLNRZBUQN-UHFFFAOYSA-N 0 0 248.286 2.092 50 0 BEAARN Cc1noc(C)c1C(=O)NC1CCCCC1 ZINC000013329508 180464116 /nfs/dbraw/zinc/46/41/16/180464116.db2.gz YCPFXLIAYMLKSN-UHFFFAOYSA-N 0 0 222.288 2.354 50 0 BEAARN Cc1noc(Cl)c1CCC(=O)NC(C)(C)C ZINC000058418214 180491315 /nfs/dbraw/zinc/49/13/15/180491315.db2.gz LOSUQDLNIXDKPQ-UHFFFAOYSA-N 0 0 244.722 2.484 50 0 BEAARN Cc1noc([C@@H]2CC(=O)N(C3CCCCC3)C2)n1 ZINC000064541823 180495971 /nfs/dbraw/zinc/49/59/71/180495971.db2.gz ZSNJCAYDKJIECB-SNVBAGLBSA-N 0 0 249.314 2.027 50 0 BEAARN COc1ccc2nc(-n3cncn3)cc(C)c2c1 ZINC000005798754 350806447 /nfs/dbraw/zinc/80/64/47/350806447.db2.gz IREQGXBQILIGMP-UHFFFAOYSA-N 0 0 240.266 2.133 50 0 BEAARN Cc1nsc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000230100630 180522792 /nfs/dbraw/zinc/52/27/92/180522792.db2.gz SXVLHPQRXWXODY-AEJSXWLSSA-N 0 0 239.344 2.216 50 0 BEAARN Cc1nsc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000078302829 180523377 /nfs/dbraw/zinc/52/33/77/180523377.db2.gz HQHXOKQNBIWEDU-YIZRAAEISA-N 0 0 239.344 2.072 50 0 BEAARN Cc1nscc1-c1nc([C@@H]2CCOC2)no1 ZINC000252487271 180524508 /nfs/dbraw/zinc/52/45/08/180524508.db2.gz HTSKJQOZOMFXHI-SSDOTTSWSA-N 0 0 237.284 2.005 50 0 BEAARN c1cc2cc(CNc3cnccn3)ccc2o1 ZINC000351549656 350913138 /nfs/dbraw/zinc/91/31/38/350913138.db2.gz CKHODHZXHFDVLD-UHFFFAOYSA-N 0 0 225.251 2.257 50 0 BEAARN Cc1oc(-c2ccsc2)nc1Cn1ccnn1 ZINC000128031101 180527621 /nfs/dbraw/zinc/52/76/21/180527621.db2.gz GHZKXHCOIHTLOK-UHFFFAOYSA-N 0 0 246.295 2.351 50 0 BEAARN [O-][n+]1cc2ccsc2c2ncccc21 ZINC000000984492 350969467 /nfs/dbraw/zinc/96/94/67/350969467.db2.gz ICMXFZPRRCWVQH-UHFFFAOYSA-N 0 0 202.238 2.083 50 0 BEAARN COc1cc2[nH]cnc2c(Br)c1 ZINC000226342529 191133502 /nfs/dbraw/zinc/13/35/02/191133502.db2.gz AAESOAJUKHUHAR-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CCSC(SCC)c1nc[nH]n1 ZINC000005908878 351301869 /nfs/dbraw/zinc/30/18/69/351301869.db2.gz BEWZYHQLGHUVRG-UHFFFAOYSA-N 0 0 203.336 2.310 50 0 BEAARN Cc1c(NC(=O)c2cccnc2)n[nH]c1C1CC1 ZINC000076430917 363043708 /nfs/dbraw/zinc/04/37/08/363043708.db2.gz OPKPPZXRLIKOBT-UHFFFAOYSA-N 0 0 242.282 2.243 50 0 BEAARN Clc1ccccc1NCCN1CCOCC1 ZINC000020052085 180596162 /nfs/dbraw/zinc/59/61/62/180596162.db2.gz GYOPGWDIAZHFQJ-UHFFFAOYSA-N 0 0 240.734 2.084 50 0 BEAARN CN1C(=S)N=NC1c1cccc(F)c1F ZINC000012409777 180622782 /nfs/dbraw/zinc/62/27/82/180622782.db2.gz MDNRJKFZFQQVAI-UHFFFAOYSA-N 0 0 227.239 2.049 50 0 BEAARN Cn1cc(Oc2nc(C(C)(C)C)ns2)cn1 ZINC000225712878 180663552 /nfs/dbraw/zinc/66/35/52/180663552.db2.gz WMRIFJDEZPAKKC-UHFFFAOYSA-N 0 0 238.316 2.361 50 0 BEAARN CC(C)COc1ccc(C(C)(C)C(N)=O)cc1 ZINC000078661546 187600501 /nfs/dbraw/zinc/60/05/01/187600501.db2.gz YDFOTDXJLAKCOB-UHFFFAOYSA-N 0 0 235.327 2.484 50 0 BEAARN Cc1ncsc1C(=O)N1CCC[C@H](C)C1 ZINC000040529068 187601539 /nfs/dbraw/zinc/60/15/39/187601539.db2.gz GUARDLCYGJCUSF-QMMMGPOBSA-N 0 0 224.329 2.324 50 0 BEAARN CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000023182071 187592245 /nfs/dbraw/zinc/59/22/45/187592245.db2.gz RKEGHIMCSIDPJG-LLVKDONJSA-N 0 0 243.310 2.289 50 0 BEAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C=O ZINC000025625484 187592826 /nfs/dbraw/zinc/59/28/26/187592826.db2.gz YNUVAJRGRQBLLB-VWYCJHECSA-N 0 0 212.289 2.189 50 0 BEAARN CCOC(=O)c1csc(-c2ccccn2)n1 ZINC000034182177 187593800 /nfs/dbraw/zinc/59/38/00/187593800.db2.gz VOEPIFVLNUODAC-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN Cn1nccc1C(=O)N1CCC2(C1)CCCCC2 ZINC000084303652 187624419 /nfs/dbraw/zinc/62/44/19/187624419.db2.gz YXWMJZZHRXHWED-UHFFFAOYSA-N 0 0 247.342 2.217 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@](C)(CO)C1 ZINC000095707234 187628035 /nfs/dbraw/zinc/62/80/35/187628035.db2.gz ZGNKCYOZCJEKOH-GFCCVEGCSA-N 0 0 229.320 2.016 50 0 BEAARN CCCc1cc(C(=O)Nc2ccccn2)n[nH]1 ZINC000044226873 352222266 /nfs/dbraw/zinc/22/22/66/352222266.db2.gz PZEUDNDPMQZDGS-UHFFFAOYSA-N 0 0 230.271 2.010 50 0 BEAARN COc1ccccc1NC(=O)NC(C)C ZINC000002165944 187642503 /nfs/dbraw/zinc/64/25/03/187642503.db2.gz AGVNZOGPYYNCPV-UHFFFAOYSA-N 0 0 208.261 2.225 50 0 BEAARN CC(C)CNC(=O)CN1c2ccccc2C[C@@H]1C ZINC000007587783 363154580 /nfs/dbraw/zinc/15/45/80/363154580.db2.gz FWMIGLHZWPEGOB-LBPRGKRZSA-N 0 0 246.354 2.210 50 0 BEAARN Cn1ccc(NC(=O)c2cc3ccccc3o2)n1 ZINC000016470657 180710942 /nfs/dbraw/zinc/71/09/42/180710942.db2.gz JKGRJWPOUOAGRW-UHFFFAOYSA-N 0 0 241.250 2.419 50 0 BEAARN Cc1ccccc1OC[C@H]1CCC(=O)O1 ZINC000071773786 187671888 /nfs/dbraw/zinc/67/18/88/187671888.db2.gz XERXKPWNBSEPOC-SNVBAGLBSA-N 0 0 206.241 2.079 50 0 BEAARN Cn1cccc1C(=O)N1CCc2ccccc2C1 ZINC000012884783 180720889 /nfs/dbraw/zinc/72/08/89/180720889.db2.gz XKKHRIYKDTZUPW-UHFFFAOYSA-N 0 0 240.306 2.224 50 0 BEAARN Cn1cccc1C(=O)NCC1CCCCC1 ZINC000012940755 180721965 /nfs/dbraw/zinc/72/19/65/180721965.db2.gz QSNZTFNCGRQGCG-UHFFFAOYSA-N 0 0 220.316 2.335 50 0 BEAARN Cn1ccc(NC(=O)/C=C/c2ccsc2)n1 ZINC000044896877 352486997 /nfs/dbraw/zinc/48/69/97/352486997.db2.gz CNFWHEZSNMVVJO-NSCUHMNNSA-N 0 0 233.296 2.134 50 0 BEAARN Cc1ncsc1C(=O)NCc1ccc(C)nc1 ZINC000044954850 352514835 /nfs/dbraw/zinc/51/48/35/352514835.db2.gz HXLIZUKXEZJRSC-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cn1cc(C(=O)N2CCCC2)c2ccccc21 ZINC000004054175 352555179 /nfs/dbraw/zinc/55/51/79/352555179.db2.gz YVDDBDUTVXISBZ-UHFFFAOYSA-N 0 0 228.295 2.414 50 0 BEAARN COC(=O)c1cc(-c2cc[nH]n2)ccc1C ZINC000725273377 538105108 /nfs/dbraw/zinc/10/51/08/538105108.db2.gz XNJFCUTYCMBHIA-UHFFFAOYSA-N 0 0 216.240 2.172 50 0 BEAARN Cc1ccsc1C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000045445917 352767562 /nfs/dbraw/zinc/76/75/62/352767562.db2.gz MZHBLKBTMIASOU-NXEZZACHSA-N 0 0 239.340 2.306 50 0 BEAARN Cn1nc2c(c1NC(=O)C(C)(C)C)CSC2 ZINC000061721403 180808884 /nfs/dbraw/zinc/80/88/84/180808884.db2.gz XMPGLOJRMDNILQ-UHFFFAOYSA-N 0 0 239.344 2.152 50 0 BEAARN Cc1cc(C)c(NC(=O)Cn2ccnc2)c(C)c1 ZINC000010809334 187931613 /nfs/dbraw/zinc/93/16/13/187931613.db2.gz OUXIDOMJVOPAFT-UHFFFAOYSA-N 0 0 243.310 2.447 50 0 BEAARN CC(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000000366473 187925075 /nfs/dbraw/zinc/92/50/75/187925075.db2.gz IANBJAROYDJXJA-UHFFFAOYSA-N 0 0 233.296 2.087 50 0 BEAARN CC(C)Cc1cc(C(=O)NCc2ccco2)no1 ZINC000002498077 187926730 /nfs/dbraw/zinc/92/67/30/187926730.db2.gz KQCDCCSSIRPTFC-UHFFFAOYSA-N 0 0 248.282 2.396 50 0 BEAARN C/C=C/C(=O)OCC(=O)c1ccc(C)cc1 ZINC000003240961 187928193 /nfs/dbraw/zinc/92/81/93/187928193.db2.gz JUVMFYQAICZITE-ONEGZZNKSA-N 0 0 218.252 2.297 50 0 BEAARN C/C(=C\N(C)C)C(=O)c1ccccc1F ZINC000393696529 353030704 /nfs/dbraw/zinc/03/07/04/353030704.db2.gz JKDZSQMLXQPRLZ-CMDGGOBGSA-N 0 0 207.248 2.474 50 0 BEAARN COc1ccc([C@@H](O)c2cccc(N)c2)cc1 ZINC000014988585 187933327 /nfs/dbraw/zinc/93/33/27/187933327.db2.gz KRCULPGAHLEVKP-CQSZACIVSA-N 0 0 229.279 2.359 50 0 biogenic BEAARN CC(=O)Oc1ccc(Br)c(C=O)c1 ZINC000019094021 187934305 /nfs/dbraw/zinc/93/43/05/187934305.db2.gz KVGIUGCXIJKTGO-UHFFFAOYSA-N 0 0 243.056 2.187 50 0 BEAARN CC(C)[C@H]([NH2+]Cc1ccc(F)cc1)C(=O)[O-] ZINC000019787749 187935232 /nfs/dbraw/zinc/93/52/32/187935232.db2.gz RFVLQWXZKUADGB-NSHDSACASA-N 0 0 225.263 2.025 50 0 BEAARN CC(C)[C@H](NC(=O)[C@@H]1CCCO1)c1ccccn1 ZINC000078826817 187966070 /nfs/dbraw/zinc/96/60/70/187966070.db2.gz QYFRITYSPBBUFK-STQMWFEESA-N 0 0 248.326 2.074 50 0 BEAARN CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@H]2C(=O)NC(=O)[C@@H]21 ZINC000004023150 187986731 /nfs/dbraw/zinc/98/67/31/187986731.db2.gz QIHKOLSLJMRHDJ-IRCOFANPSA-N 0 0 233.311 2.054 50 0 biogenic BEAARN Cc1nsc(NC(=O)c2cccc(C)c2)n1 ZINC000027740567 188010192 /nfs/dbraw/zinc/01/01/92/188010192.db2.gz QGUZUDGXIISWKU-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CCCCCNC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000095457440 168707991 /nfs/dbraw/zinc/70/79/91/168707991.db2.gz LTQQKJNFFYXPSP-VXGBXAGGSA-N 0 0 242.363 2.291 50 0 BEAARN CN(CC1CCCC1)c1cn[nH]c(=O)c1Cl ZINC000049490968 353164572 /nfs/dbraw/zinc/16/45/72/353164572.db2.gz GYUALDJEVAVOAR-UHFFFAOYSA-N 0 0 241.722 2.050 50 0 BEAARN Cn1nnnc1SCc1ccc(Cl)cc1 ZINC000002699389 180877008 /nfs/dbraw/zinc/87/70/08/180877008.db2.gz PTFHDARIIRTOTP-UHFFFAOYSA-N 0 0 240.719 2.156 50 0 BEAARN O=c1ccc(-c2nc(-c3ccccc3)no2)c[nH]1 ZINC000045918703 363207451 /nfs/dbraw/zinc/20/74/51/363207451.db2.gz VROJWVLPEOLYDV-UHFFFAOYSA-N 0 0 239.234 2.092 50 0 BEAARN O=C1COc2cccc(Br)c21 ZINC000022116513 363208085 /nfs/dbraw/zinc/20/80/85/363208085.db2.gz UIGIMSDONVLDBV-UHFFFAOYSA-N 0 0 213.030 2.024 50 0 BEAARN FC(F)(F)[C@@H]1CCCN[C@@H]1C(F)(F)F ZINC000241157282 180890709 /nfs/dbraw/zinc/89/07/09/180890709.db2.gz JWKCJWXTADEJAD-UHNVWZDZSA-N 0 0 221.144 2.479 50 0 BEAARN FC(F)Cn1ccc(N[C@H]2CCSC2)n1 ZINC000095991520 180905270 /nfs/dbraw/zinc/90/52/70/180905270.db2.gz VEMLEVXGOBKVJB-ZETCQYMHSA-N 0 0 233.287 2.066 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000240789 188272494 /nfs/dbraw/zinc/27/24/94/188272494.db2.gz ZXFKXLRJUUVFRT-UHFFFAOYSA-N 0 0 244.250 2.490 50 0 BEAARN CC(=O)Nc1nc2nc3ccccc3nc2s1 ZINC000000292083 188272530 /nfs/dbraw/zinc/27/25/30/188272530.db2.gz AEKYGYWDKPCBEC-UHFFFAOYSA-N 0 0 244.279 2.198 50 0 BEAARN COc1ccc(CC(=O)NCc2ccco2)cc1 ZINC000000101375 188272775 /nfs/dbraw/zinc/27/27/75/188272775.db2.gz MYCLZXLZJJFDEC-UHFFFAOYSA-N 0 0 245.278 2.147 50 0 biogenic BEAARN CC(=O)Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000001074661 188273575 /nfs/dbraw/zinc/27/35/75/188273575.db2.gz JRFKMIDGOYXQKC-UHFFFAOYSA-N 0 0 245.234 2.457 50 0 BEAARN CC1=NN(C(=S)Cc2ccccc2)[C@@](C)(O)C1 ZINC000000366901 188273577 /nfs/dbraw/zinc/27/35/77/188273577.db2.gz JZGDPPHVYVTNFW-ZDUSSCGKSA-N 0 0 248.351 2.347 50 0 BEAARN CC(=O)c1c(C)nc2sccc2c1N ZINC000000346517 188273584 /nfs/dbraw/zinc/27/35/84/188273584.db2.gz ZQEOHMVEKSWEDO-UHFFFAOYSA-N 0 0 206.270 2.390 50 0 BEAARN CC(C)C[C@@H]1N=C(c2ccccc2)OC1=O ZINC000002566357 188274817 /nfs/dbraw/zinc/27/48/17/188274817.db2.gz OPHIINOMBFPLBL-NSHDSACASA-N 0 0 217.268 2.405 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000002518243 188275064 /nfs/dbraw/zinc/27/50/64/188275064.db2.gz LBJSEPNOVVUVJA-ZJUUUORDSA-N 0 0 229.320 2.062 50 0 BEAARN Cn1cc(Br)c(C(F)(F)F)n1 ZINC000002527533 188275163 /nfs/dbraw/zinc/27/51/63/188275163.db2.gz TZAYNGPUOOUEAP-UHFFFAOYSA-N 0 0 228.999 2.201 50 0 BEAARN O=C1Oc2ccccc2[C@]2(O)[C@H]3CCCC[C@@H]3[C@H]12 ZINC000004114250 188275920 /nfs/dbraw/zinc/27/59/20/188275920.db2.gz RQWNVDAJWFMNDY-UOJCWERNSA-N 0 0 244.290 2.229 50 0 BEAARN COc1ccccc1NC(=O)C1CCC1 ZINC000003549341 188276049 /nfs/dbraw/zinc/27/60/49/188276049.db2.gz ZVNCUWZGCQGYIX-UHFFFAOYSA-N 0 0 205.257 2.434 50 0 BEAARN S=C1N=NC(COc2cccc(Cl)c2)N1 ZINC000004838657 188276556 /nfs/dbraw/zinc/27/65/56/188276556.db2.gz MZRBQVSJOCBJOU-UHFFFAOYSA-N 0 0 241.703 2.326 50 0 BEAARN Cc1ccnc(NC(=O)c2ccncc2)c1 ZINC000004716455 188276761 /nfs/dbraw/zinc/27/67/61/188276761.db2.gz BFZSHHJHKPGVJM-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN CC(=O)Nc1ccc2c(c1)CCCC2=O ZINC000004271927 188276959 /nfs/dbraw/zinc/27/69/59/188276959.db2.gz WEBCZGJWXXPNHB-UHFFFAOYSA-N 0 0 203.241 2.164 50 0 BEAARN CC(=O)Nc1ccc2[nH]cnc2c1Cl ZINC000006022569 188277868 /nfs/dbraw/zinc/27/78/68/188277868.db2.gz RDFRNOZLOLUYFS-UHFFFAOYSA-N 0 0 209.636 2.175 50 0 BEAARN Cc1cccc(NC(=O)c2cnc(C)cn2)c1 ZINC000006339085 188278241 /nfs/dbraw/zinc/27/82/41/188278241.db2.gz IZPOYGBBJUKSPP-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013327492 188279503 /nfs/dbraw/zinc/27/95/03/188279503.db2.gz VNZRLJBSEBRLBD-WPRPVWTQSA-N 0 0 233.267 2.052 50 0 BEAARN S=C1N=NC(c2ccco2)N1c1cccnc1 ZINC000013570921 188280168 /nfs/dbraw/zinc/28/01/68/188280168.db2.gz PIEJJTJIDWIPGE-UHFFFAOYSA-N 0 0 244.279 2.211 50 0 BEAARN CCc1ccc(OCCCN2CCOCC2)cc1 ZINC000019720917 188281455 /nfs/dbraw/zinc/28/14/55/188281455.db2.gz NKYKAVPODMGBEI-UHFFFAOYSA-N 0 0 249.354 2.350 50 0 BEAARN CC(=O)NCc1ccc(-n2cccc2)cc1 ZINC000036612216 188286417 /nfs/dbraw/zinc/28/64/17/188286417.db2.gz MUODWKAHYQCJBK-UHFFFAOYSA-N 0 0 214.268 2.113 50 0 BEAARN CC(C)(C)[C@H](O)CCNC(=O)c1cccs1 ZINC000072242735 188288026 /nfs/dbraw/zinc/28/80/26/188288026.db2.gz ACHIINIUGVBCJN-SNVBAGLBSA-N 0 0 241.356 2.275 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000084686968 538114855 /nfs/dbraw/zinc/11/48/55/538114855.db2.gz ZUUWTACKWLYTRM-UHNVWZDZSA-N 0 0 233.193 2.023 50 0 BEAARN CC(C)=CC(=O)NC[C@@](C)(O)c1cccs1 ZINC000080879206 188292896 /nfs/dbraw/zinc/29/28/96/188292896.db2.gz CZFMOISROYDUEV-GFCCVEGCSA-N 0 0 239.340 2.038 50 0 BEAARN CCc1ccc(OCCCn2cncn2)cc1 ZINC000058159004 188301152 /nfs/dbraw/zinc/30/11/52/188301152.db2.gz QUHKCZSVRVKPPX-UHFFFAOYSA-N 0 0 231.299 2.310 50 0 BEAARN CC(=O)N[C@@H](COCC(C)C)c1ccco1 ZINC000058354784 188302677 /nfs/dbraw/zinc/30/26/77/188302677.db2.gz ZXRUKUWQKKPQBU-NSHDSACASA-N 0 0 225.288 2.129 50 0 BEAARN CC(C)(C)c1ccc2c(c1)C(=O)[C@@H](N)CCO2 ZINC000062665234 188303641 /nfs/dbraw/zinc/30/36/41/188303641.db2.gz NJZFHAXOYVNWQJ-NSHDSACASA-N 0 0 233.311 2.277 50 0 BEAARN NC(=O)c1ccccc1-c1ccnc2[nH]ccc21 ZINC000072146957 188307212 /nfs/dbraw/zinc/30/72/12/188307212.db2.gz NBQQKGPZHWEDJM-UHFFFAOYSA-N 0 0 237.262 2.329 50 0 BEAARN Cc1ccc(OCc2ncnn2C)c(C)c1 ZINC000072297341 188307385 /nfs/dbraw/zinc/30/73/85/188307385.db2.gz LIJYZUNKNIMIAB-UHFFFAOYSA-N 0 0 217.272 2.011 50 0 BEAARN CC(=O)N1CCSC[C@@H]1c1ccc(C)o1 ZINC000081346338 188312134 /nfs/dbraw/zinc/31/21/34/188312134.db2.gz BALWWRCKNQPXDG-SNVBAGLBSA-N 0 0 225.313 2.224 50 0 BEAARN CC1(C)[C@H](Nc2nc(C3CC3)no2)[C@H]2CCO[C@@H]21 ZINC000089917626 188318058 /nfs/dbraw/zinc/31/80/58/188318058.db2.gz OMPZXOQPZZIHMZ-BBBLOLIVSA-N 0 0 249.314 2.172 50 0 BEAARN CC(=O)Nc1ccc(C)c2c1CCCN2 ZINC000095347520 188319060 /nfs/dbraw/zinc/31/90/60/188319060.db2.gz RYRDUZSMONMBBE-UHFFFAOYSA-N 0 0 204.273 2.312 50 0 BEAARN CC(C)(O)c1ccc(C2=NC(C)(C)CO2)cc1 ZINC000091690247 188319143 /nfs/dbraw/zinc/31/91/43/188319143.db2.gz JOXVSASTHODYSC-UHFFFAOYSA-N 0 0 233.311 2.469 50 0 BEAARN C/C=C/C(=O)OCC(=O)Nc1cc(C)ccc1C ZINC000003390157 188332642 /nfs/dbraw/zinc/33/26/42/188332642.db2.gz NMMATILOKNOFNM-SNAWJCMRSA-N 0 0 247.294 2.361 50 0 BEAARN CC(=O)N[C@H](C(=O)Nc1cccc(C)c1)C(C)C ZINC000005704010 188332896 /nfs/dbraw/zinc/33/28/96/188332896.db2.gz GSLXXUCVJCSWIZ-ZDUSSCGKSA-N 0 0 248.326 2.094 50 0 BEAARN C=CN(C=C)S(=O)(=O)c1ccc(C)cc1 ZINC000101368654 188334715 /nfs/dbraw/zinc/33/47/15/188334715.db2.gz YOGRQXADHJUDHR-UHFFFAOYSA-N 0 0 223.297 2.273 50 0 BEAARN CC(C)(O)[C@@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000302111901 188336670 /nfs/dbraw/zinc/33/66/70/188336670.db2.gz ATKHEVFMMKJTNH-LBPRGKRZSA-N 0 0 245.326 2.303 50 0 BEAARN Cc1cc(O)ccc1NC(=O)Nc1ccnn1C ZINC000170590202 188338556 /nfs/dbraw/zinc/33/85/56/188338556.db2.gz SHDFRHIAPRHDJM-UHFFFAOYSA-N 0 0 246.270 2.078 50 0 BEAARN CSc1ccc(NC(=O)c2ccnn2C)cc1 ZINC000011695114 188339262 /nfs/dbraw/zinc/33/92/62/188339262.db2.gz OQMYYIVEWZFVSS-UHFFFAOYSA-N 0 0 247.323 2.394 50 0 BEAARN CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000030635344 188357612 /nfs/dbraw/zinc/35/76/12/188357612.db2.gz CUXXEMFNEZVWNX-UHFFFAOYSA-N 0 0 201.229 2.035 50 0 BEAARN C/C(=C\c1ccccc1)CN(C)Cc1nc[nH]n1 ZINC000179795020 188343661 /nfs/dbraw/zinc/34/36/61/188343661.db2.gz SWOZNTUCRURKQF-XYOKQWHBSA-N 0 0 242.326 2.340 50 0 BEAARN O=C1NC(=O)C(=Cc2ccccc2F)S1 ZINC000017028451 188348024 /nfs/dbraw/zinc/34/80/24/188348024.db2.gz HWSHSFNYTZXIGL-YVMONPNESA-N 0 0 223.228 2.150 50 0 BEAARN Cc1ccc(OCCN2CCOCC2)cc1C ZINC000019638436 188349630 /nfs/dbraw/zinc/34/96/30/188349630.db2.gz FOGHINOQQGKSDD-UHFFFAOYSA-N 0 0 235.327 2.014 50 0 BEAARN COc1ccc(Cl)cc1NC(=O)N(C)C ZINC000020215488 188352649 /nfs/dbraw/zinc/35/26/49/188352649.db2.gz YVPWUZSOMUNYFR-UHFFFAOYSA-N 0 0 228.679 2.442 50 0 BEAARN CC(=O)N[C@@H]1CCSc2ccccc21 ZINC000012879109 188353935 /nfs/dbraw/zinc/35/39/35/188353935.db2.gz JMNCBCYPWNFXHQ-SNVBAGLBSA-N 0 0 207.298 2.360 50 0 BEAARN COc1cc(CNC(=O)CC2CCCC2)ccn1 ZINC000012741467 353418765 /nfs/dbraw/zinc/41/87/65/353418765.db2.gz UHOSUIKTMGHBRI-UHFFFAOYSA-N 0 0 248.326 2.287 50 0 BEAARN Fc1cc(F)cc(NCc2ncccn2)c1 ZINC000054459017 180954950 /nfs/dbraw/zinc/95/49/50/180954950.db2.gz ZTJXLPLKCMAFEW-UHFFFAOYSA-N 0 0 221.210 2.367 50 0 BEAARN Fc1cc(Br)cn2c(=S)[nH]nc12 ZINC000218867637 353422711 /nfs/dbraw/zinc/42/27/11/353422711.db2.gz OLSZRGKXBRJGEH-UHFFFAOYSA-N 0 0 248.080 2.293 50 0 BEAARN Clc1cccc2nnc(Br)n21 ZINC000001565405 353442261 /nfs/dbraw/zinc/44/22/61/353442261.db2.gz BUCCMVKMXZJZPJ-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN C(=C/c1ccnc2ncnn21)\c1cccs1 ZINC000004073157 188376250 /nfs/dbraw/zinc/37/62/50/188376250.db2.gz FBUFJJIQNGUTGX-ONEGZZNKSA-N 0 0 228.280 2.356 50 0 BEAARN Fc1ccc(CCNc2cnccn2)cc1F ZINC000302792028 180963719 /nfs/dbraw/zinc/96/37/19/180963719.db2.gz YUXIWBVLPPYYBT-UHFFFAOYSA-N 0 0 235.237 2.409 50 0 BEAARN CC(C)(NC(=O)c1ccoc1)C(F)(F)F ZINC000294422630 188392571 /nfs/dbraw/zinc/39/25/71/188392571.db2.gz OKCYZHIPWFAHGN-UHFFFAOYSA-N 0 0 221.178 2.350 50 0 BEAARN CNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000032796764 188406661 /nfs/dbraw/zinc/40/66/61/188406661.db2.gz IFBIVWDQQOQECY-UHFFFAOYSA-N 0 0 202.257 2.144 50 0 BEAARN Fc1cccc(Cn2ccnn2)c1Cl ZINC000195568155 180999931 /nfs/dbraw/zinc/99/99/31/180999931.db2.gz LXTITRBENUNZTB-UHFFFAOYSA-N 0 0 211.627 2.119 50 0 BEAARN Fc1nc(OC2CCOCC2)ccc1Cl ZINC000261494160 181021503 /nfs/dbraw/zinc/02/15/03/181021503.db2.gz RGYGNMAQSDCBHT-UHFFFAOYSA-N 0 0 231.654 2.432 50 0 BEAARN Ic1cnc2cc[nH]c2c1 ZINC000014401126 181021954 /nfs/dbraw/zinc/02/19/54/181021954.db2.gz XILKNEZBBWEDEH-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN Cc1occc1C(=O)N1CCC(CF)CC1 ZINC000334544219 353980473 /nfs/dbraw/zinc/98/04/73/353980473.db2.gz OXBJFSAXEBZUAB-UHFFFAOYSA-N 0 0 225.263 2.410 50 0 BEAARN Cc1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1C ZINC000001317788 363312662 /nfs/dbraw/zinc/31/26/62/363312662.db2.gz SXXDGVNRRNESAY-JTQLQIEISA-N 0 0 236.296 2.024 50 0 BEAARN Cc1cccc(CNCc2ccon2)c1 ZINC000086452666 491061825 /nfs/dbraw/zinc/06/18/25/491061825.db2.gz WFYMIYBSHQTNPY-UHFFFAOYSA-N 0 0 202.257 2.273 50 0 BEAARN C[C@@H](NC(=O)C1CC=CC1)C(C)(F)F ZINC000334688203 354434201 /nfs/dbraw/zinc/43/42/01/354434201.db2.gz XIFSQCMHANZZTK-SSDOTTSWSA-N 0 0 203.232 2.113 50 0 BEAARN Cc1ccc(CCC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000032865188 354555572 /nfs/dbraw/zinc/55/55/72/354555572.db2.gz UVKPGQWNSQRQGE-ZDUSSCGKSA-N 0 0 247.338 2.175 50 0 BEAARN Cc1ccccc1CN(C)C(=O)c1cnccn1 ZINC000033000258 354595059 /nfs/dbraw/zinc/59/50/59/354595059.db2.gz ICWJJKXVZKZWGN-UHFFFAOYSA-N 0 0 241.294 2.057 50 0 BEAARN CC1=C[C@@H](C)CN(C(=O)c2cc(F)c[nH]2)C1 ZINC000335942666 134018251 /nfs/dbraw/zinc/01/82/51/134018251.db2.gz CVSXRPVLHYZHQO-MRVPVSSYSA-N 0 0 222.263 2.192 50 0 BEAARN CC(C)c1noc([C@H](C)N2CCCC2)n1 ZINC000040496417 358492358 /nfs/dbraw/zinc/49/23/58/358492358.db2.gz LSTVVOOFBYCQMO-VIFPVBQESA-N 0 0 209.293 2.350 50 0 BEAARN Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1F ZINC000335213009 355050260 /nfs/dbraw/zinc/05/02/60/355050260.db2.gz LBTIAXLSUDDYQN-GHMZBOCLSA-N 0 0 224.279 2.334 50 0 BEAARN C[C@@H](NS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000033911377 355219938 /nfs/dbraw/zinc/21/99/38/355219938.db2.gz SQONEYZPUOJMIJ-SNVBAGLBSA-N 0 0 249.335 2.450 50 0 BEAARN CCCCC[S@](=O)[C@H]1CCO[C@H]1C ZINC000248822600 168747198 /nfs/dbraw/zinc/74/71/98/168747198.db2.gz FOCDLQJVYHHBNH-KWBADKCTSA-N 0 0 204.335 2.103 50 0 BEAARN N=C1NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000073195895 181206370 /nfs/dbraw/zinc/20/63/70/181206370.db2.gz MSWKKHLZBICMBS-POHAHGRESA-N 0 0 243.291 2.307 50 0 BEAARN NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000002598065 181212278 /nfs/dbraw/zinc/21/22/78/181212278.db2.gz BPRFEFAHXYCKRO-ZZXKWVIFSA-N 0 0 215.174 2.204 50 0 BEAARN COC(=O)c1sccc1NC(=O)[C@H]1C[C@H]1C ZINC000035163687 355862746 /nfs/dbraw/zinc/86/27/46/355862746.db2.gz WNUUPAXJWOBHKE-RQJHMYQMSA-N 0 0 239.296 2.129 50 0 BEAARN NC(=O)C1(c2ccccc2)CCCCC1 ZINC000003639152 181215289 /nfs/dbraw/zinc/21/52/89/181215289.db2.gz RKNUEXASLVLVSL-UHFFFAOYSA-N 0 0 203.285 2.374 50 0 BEAARN NC(=O)Cc1cc(Cl)sc1Cl ZINC000000395245 181246530 /nfs/dbraw/zinc/24/65/30/181246530.db2.gz MGTJNKBYTLLKCG-UHFFFAOYSA-N 0 0 210.085 2.083 50 0 BEAARN NC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000335393153 181251508 /nfs/dbraw/zinc/25/15/08/181251508.db2.gz MUJNKODVICZNAZ-JTQLQIEISA-N 0 0 226.226 2.180 50 0 BEAARN NC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000336610100 181260876 /nfs/dbraw/zinc/26/08/76/181260876.db2.gz ZFSPBBFFEMXAGV-GXSJLCMTSA-N 0 0 222.263 2.130 50 0 BEAARN NC(=O)Nc1ccccc1C(F)(F)F ZINC000019398864 181263502 /nfs/dbraw/zinc/26/35/02/181263502.db2.gz PARAGKZGYKOQSN-UHFFFAOYSA-N 0 0 204.151 2.196 50 0 BEAARN COC(=O)C[C@@H](C)OCc1ccccc1 ZINC000035740471 356367848 /nfs/dbraw/zinc/36/78/48/356367848.db2.gz JXBBMSDQNOELFF-SNVBAGLBSA-N 0 0 208.257 2.155 50 0 BEAARN Cc1ccc(NC(=O)C2CCOCC2)cc1 ZINC000023622983 356368739 /nfs/dbraw/zinc/36/87/39/356368739.db2.gz UZSVUGMRWRCGPP-UHFFFAOYSA-N 0 0 219.284 2.360 50 0 BEAARN Cc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000004541695 356362568 /nfs/dbraw/zinc/36/25/68/356362568.db2.gz QBNRIPARNPFTSA-UHFFFAOYSA-N 0 0 219.693 2.020 50 0 BEAARN CCO[C@H](O)[C@@H](CC)C(=O)Nc1ccccc1 ZINC000004800905 356362571 /nfs/dbraw/zinc/36/25/71/356362571.db2.gz YSOXMMNGBGRDGE-AAEUAGOBSA-N 0 0 237.299 2.006 50 0 BEAARN Clc1nccc2c(Br)[nH]nc21 ZINC000045067977 356372018 /nfs/dbraw/zinc/37/20/18/356372018.db2.gz OOBLZPMWTIBRRE-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CCOC(=O)c1csc(CN(CC)CC)n1 ZINC000045206593 356471453 /nfs/dbraw/zinc/47/14/53/356471453.db2.gz OGPGYSWBRBAURZ-UHFFFAOYSA-N 0 0 242.344 2.162 50 0 BEAARN NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076939796 181284570 /nfs/dbraw/zinc/28/45/70/181284570.db2.gz MBNFAZWNZIQYFM-WDSKDSINSA-N 0 0 213.639 2.068 50 0 BEAARN NC(=O)c1c(N)sc2c1CCCCCC2 ZINC000005094773 181286159 /nfs/dbraw/zinc/28/61/59/181286159.db2.gz XZCZLVCNYYVFKH-UHFFFAOYSA-N 0 0 224.329 2.088 50 0 BEAARN NC(=O)c1c(F)ccc(Cl)c1Cl ZINC000002527800 181286597 /nfs/dbraw/zinc/28/65/97/181286597.db2.gz ILPOFWUOAGTTPJ-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN Oc1cccc(CN=Nc2ccccn2)c1 ZINC000015015499 363474639 /nfs/dbraw/zinc/47/46/39/363474639.db2.gz MOSGOQDBMKABII-UHFFFAOYSA-N 0 0 213.240 2.233 50 0 BEAARN Cc1oncc1-c1csc(-c2cc[nH]n2)n1 ZINC000352268137 134128709 /nfs/dbraw/zinc/12/87/09/134128709.db2.gz YNKHSZWTJLORDI-UHFFFAOYSA-N 0 0 232.268 2.497 50 0 BEAARN NC(=O)c1cc(-c2ccc(Cl)cc2)no1 ZINC000000266254 181287326 /nfs/dbraw/zinc/28/73/26/181287326.db2.gz KQLIJGIESCFZJH-UHFFFAOYSA-N 0 0 222.631 2.094 50 0 BEAARN Cc1cccc(CC2CN(C(=O)C3CC3)C2)c1 ZINC000085458951 538541123 /nfs/dbraw/zinc/54/11/23/538541123.db2.gz MTJNAXCWJAHBTK-UHFFFAOYSA-N 0 0 229.323 2.406 50 0 BEAARN Cc1ncsc1C(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089565380 538582035 /nfs/dbraw/zinc/58/20/35/538582035.db2.gz HBCWDHGFWLMXHF-GHMZBOCLSA-N 0 0 248.351 2.490 50 0 BEAARN Cc1ncsc1C(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089565383 538582306 /nfs/dbraw/zinc/58/23/06/538582306.db2.gz HBCWDHGFWLMXHF-QWRGUYRKSA-N 0 0 248.351 2.490 50 0 BEAARN C1CC1c1noc(N2CCCCCC2)n1 ZINC000089818999 538585046 /nfs/dbraw/zinc/58/50/46/538585046.db2.gz GTWZAUBLMYIEBM-UHFFFAOYSA-N 0 0 207.277 2.327 50 0 BEAARN O=C(c1ccccn1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089878915 538585174 /nfs/dbraw/zinc/58/51/74/538585174.db2.gz BMLDGTMWPQYVEM-VXGBXAGGSA-N 0 0 228.295 2.120 50 0 BEAARN C[C@H]1CC[C@H](C)N1C(=O)C1=CCCCO1 ZINC000089922736 538585863 /nfs/dbraw/zinc/58/58/63/538585863.db2.gz ZKZGUBTZAXCIJO-UWVGGRQHSA-N 0 0 209.289 2.080 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(C2CCC2)nn1C ZINC000089921933 538585960 /nfs/dbraw/zinc/58/59/60/538585960.db2.gz OIAWQAVYYZVPQJ-PSASIEDQSA-N 0 0 233.315 2.282 50 0 BEAARN C[C@@H]1CC[C@H](C)N1C(=O)C1=CCCCO1 ZINC000089922735 538586060 /nfs/dbraw/zinc/58/60/60/538586060.db2.gz ZKZGUBTZAXCIJO-AOOOYVTPSA-N 0 0 209.289 2.080 50 0 BEAARN O=C(c1ccoc1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089885120 538586622 /nfs/dbraw/zinc/58/66/22/538586622.db2.gz FHRUAQKDNDYZJU-QWRGUYRKSA-N 0 0 217.268 2.318 50 0 BEAARN O=C(c1ccoc1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089885119 538587000 /nfs/dbraw/zinc/58/70/00/538587000.db2.gz FHRUAQKDNDYZJU-GHMZBOCLSA-N 0 0 217.268 2.318 50 0 BEAARN Cc1cc(-n2cccc2)ccc1C(=O)N(C)C ZINC000095350934 538602389 /nfs/dbraw/zinc/60/23/89/538602389.db2.gz KQLUNKCWYZJPRX-UHFFFAOYSA-N 0 0 228.295 2.488 50 0 BEAARN Cc1oc(-c2ccccc2F)nc1C(=O)N(C)C ZINC000095399327 538606747 /nfs/dbraw/zinc/60/67/47/538606747.db2.gz VBOSOVGBXBYPLS-UHFFFAOYSA-N 0 0 248.257 2.491 50 0 BEAARN C[C@@H](C(N)=O)N1CCC(=Cc2ccccc2)CC1 ZINC000095408348 538610346 /nfs/dbraw/zinc/61/03/46/538610346.db2.gz KCTMONRZRFGUPB-LBPRGKRZSA-N 0 0 244.338 2.040 50 0 BEAARN Cc1noc(C)c1C(=O)NC(=N)c1ccccc1 ZINC000075136613 356871148 /nfs/dbraw/zinc/87/11/48/356871148.db2.gz RRIVVJZVKHVMIN-UHFFFAOYSA-N 0 0 243.266 2.047 50 0 BEAARN OCC1(CSc2ccccc2Cl)COC1 ZINC000075108791 356841102 /nfs/dbraw/zinc/84/11/02/356841102.db2.gz KDAKYQASXRRMJD-UHFFFAOYSA-N 0 0 244.743 2.441 50 0 BEAARN O=C1CCc2cc(OCc3cnsn3)ccc21 ZINC000399905540 357105537 /nfs/dbraw/zinc/10/55/37/357105537.db2.gz CJDGAFREUDCKIO-UHFFFAOYSA-N 0 0 246.291 2.246 50 0 BEAARN COC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC000012980013 538781321 /nfs/dbraw/zinc/78/13/21/538781321.db2.gz JUNBHEYULBVUEX-SNVBAGLBSA-N 0 0 208.282 2.185 50 0 BEAARN Cc1ccc(Nc2cc(C)nc(N)n2)cc1 ZINC000001681555 357135662 /nfs/dbraw/zinc/13/56/62/357135662.db2.gz SLJTXASFHQWRNM-UHFFFAOYSA-N 0 0 214.272 2.419 50 0 BEAARN O=C(c1cccc2cccnc21)N1CCC1 ZINC000024045878 357158464 /nfs/dbraw/zinc/15/84/64/357158464.db2.gz HFUJFIFDJUECBK-UHFFFAOYSA-N 0 0 212.252 2.081 50 0 BEAARN Cn1cc(NC(=O)c2cc3ccccc3o2)cn1 ZINC000025304946 357194707 /nfs/dbraw/zinc/19/47/07/357194707.db2.gz XQBLKCCTQXZOCG-UHFFFAOYSA-N 0 0 241.250 2.419 50 0 BEAARN Cc1cc(N)c(Br)c(F)c1 ZINC000306823244 357346647 /nfs/dbraw/zinc/34/66/47/357346647.db2.gz PNSMOWSOJAKJGX-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN CCc1ccc2[nH]c(=O)cc(CC(=O)OC)c2c1 ZINC000260797965 538850777 /nfs/dbraw/zinc/85/07/77/538850777.db2.gz JHYFCZRDNFDOED-UHFFFAOYSA-N 0 0 245.278 2.218 50 0 BEAARN NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000006701485 181292154 /nfs/dbraw/zinc/29/21/54/181292154.db2.gz WPZOIVQLKVPVSQ-UHFFFAOYSA-N 0 0 205.188 2.185 50 0 BEAARN C[C@H](CO)NC(=O)Nc1cccc2ccccc21 ZINC000012977307 357966730 /nfs/dbraw/zinc/96/67/30/357966730.db2.gz ABGHUIZNIMFHLG-SNVBAGLBSA-N 0 0 244.294 2.342 50 0 BEAARN NC(=O)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000071867278 181294676 /nfs/dbraw/zinc/29/46/76/181294676.db2.gz CESRVVBRBOSGJG-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN CON(C)C(=O)c1cccc(-n2cccc2)c1 ZINC000040476661 358069024 /nfs/dbraw/zinc/06/90/24/358069024.db2.gz XZUXPGXTCZZEPI-UHFFFAOYSA-N 0 0 230.267 2.111 50 0 BEAARN C/C=C\C[S@](=O)Cc1nc(C)c(C)o1 ZINC000221783468 358126603 /nfs/dbraw/zinc/12/66/03/358126603.db2.gz TXYLNHYWHKNEQF-WSNITJDQSA-N 0 0 213.302 2.116 50 0 BEAARN NC(=O)c1ccc(Cl)c(Br)c1 ZINC000065336997 181296032 /nfs/dbraw/zinc/29/60/32/181296032.db2.gz LRUWZGYYJAZCFH-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN FC(F)(Br)C(F)(F)n1ccnc1 ZINC000584612901 358276804 /nfs/dbraw/zinc/27/68/04/358276804.db2.gz WHWVFYIPMIWMMK-UHFFFAOYSA-N 0 0 246.989 2.420 50 0 BEAARN NC(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000008074398 181298851 /nfs/dbraw/zinc/29/88/51/181298851.db2.gz URBJXHASBXSIPF-SNVBAGLBSA-N 0 0 244.294 2.080 50 0 BEAARN CC[C@@H](C)NC(=O)CCc1cn(CC)nc1C ZINC000028576859 358961520 /nfs/dbraw/zinc/96/15/20/358961520.db2.gz BZMTZOHCOUSXBP-SNVBAGLBSA-N 0 0 237.347 2.059 50 0 BEAARN CCc1[nH]nc(NCc2ccncc2)c1C ZINC000089280093 358954533 /nfs/dbraw/zinc/95/45/33/358954533.db2.gz UTMJXCUAUUQIIE-UHFFFAOYSA-N 0 0 216.288 2.288 50 0 BEAARN Cc1nnc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)n1C ZINC000248162409 359258056 /nfs/dbraw/zinc/25/80/56/359258056.db2.gz YFFQLJHWIKZASN-RAIGVLPGSA-N 0 0 248.374 2.277 50 0 BEAARN CCN(CCC(F)(F)F)C(=O)N[C@H]1C[C@@H]1C ZINC000078441174 169820928 /nfs/dbraw/zinc/82/09/28/169820928.db2.gz DHDRLWQEOCDJCH-YUMQZZPRSA-N 0 0 238.253 2.379 50 0 BEAARN CCN(C[C@@H](C)O)C(=O)Nc1cccc(F)c1 ZINC000058248175 169880757 /nfs/dbraw/zinc/88/07/57/169880757.db2.gz YCCCUTOXSKPDTE-SECBINFHSA-N 0 0 240.278 2.060 50 0 BEAARN Fc1ccc(-c2noc(-c3cc[nH]n3)n2)cc1 ZINC000045894770 359743212 /nfs/dbraw/zinc/74/32/12/359743212.db2.gz DAPWLDBBCXZIMS-UHFFFAOYSA-N 0 0 230.202 2.266 50 0 BEAARN CCN(CC)C(=O)C1=Cc2ccccc2OC1 ZINC000002021532 359857067 /nfs/dbraw/zinc/85/70/67/359857067.db2.gz QBXPAPFWRWTDDL-UHFFFAOYSA-N 0 0 231.295 2.331 50 0 BEAARN C[C@@H](CC(=O)N1C[C@H](C)C[C@H](C)C1)n1ccnc1 ZINC000578917666 366674135 /nfs/dbraw/zinc/67/41/35/366674135.db2.gz SMVYFMQBXXEXOV-XQQFMLRXSA-N 0 0 249.358 2.339 50 0 BEAARN CC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000089930490 360048505 /nfs/dbraw/zinc/04/85/05/360048505.db2.gz SOWGDLLOSJYSRN-UHFFFAOYSA-N 0 0 225.332 2.347 50 0 BEAARN COc1cc(C2(C(=O)N(C)C)CC2)ccc1C ZINC000089647049 360032735 /nfs/dbraw/zinc/03/27/35/360032735.db2.gz BDVRUUKDJAUXKZ-UHFFFAOYSA-N 0 0 233.311 2.123 50 0 BEAARN O=C(N[C@@H]1CCOc2ccccc21)C1=CCC1 ZINC000095456774 360336559 /nfs/dbraw/zinc/33/65/59/360336559.db2.gz NUFGVCZILROQNC-GFCCVEGCSA-N 0 0 229.279 2.347 50 0 BEAARN CN(Cc1ncc[nH]1)c1nc2ccccc2o1 ZINC000095398669 360336823 /nfs/dbraw/zinc/33/68/23/360336823.db2.gz JQHHUZNJTBPUMV-UHFFFAOYSA-N 0 0 228.255 2.187 50 0 BEAARN Cc1cc(CN2CCCC[C@H]2c2ncc[nH]2)no1 ZINC000095422794 360337285 /nfs/dbraw/zinc/33/72/85/360337285.db2.gz JCKQUDUKVOYQHP-LBPRGKRZSA-N 0 0 246.314 2.433 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CCCO2)cc1F ZINC000006586387 360340201 /nfs/dbraw/zinc/34/02/01/360340201.db2.gz OWMRBISUUIJNSA-LLVKDONJSA-N 0 0 223.247 2.252 50 0 BEAARN Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2C)cc1 ZINC000006641508 360543636 /nfs/dbraw/zinc/54/36/36/360543636.db2.gz LHJUXZWAVZHIDP-PWSUYJOCSA-N 0 0 247.294 2.133 50 0 BEAARN Cc1ccc(CC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000006699899 360609173 /nfs/dbraw/zinc/60/91/73/360609173.db2.gz OSQAUKKBSOKXSO-OCCSQVGLSA-N 0 0 247.338 2.221 50 0 BEAARN O=C(Nc1ccncc1)Nc1ccc(O)cc1 ZINC000169543391 360610461 /nfs/dbraw/zinc/61/04/61/360610461.db2.gz BQICADJSJSPXSR-UHFFFAOYSA-N 0 0 229.239 2.431 50 0 BEAARN NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000000083865 181306060 /nfs/dbraw/zinc/30/60/60/181306060.db2.gz SISHWAKQUGSWBG-UHFFFAOYSA-N 0 0 240.262 2.038 50 0 BEAARN Cc1cnn(C(=O)/C=C/c2ccco2)c1 ZINC000006790096 360799669 /nfs/dbraw/zinc/79/96/69/360799669.db2.gz RNBWZQUHTDLAAY-SNAWJCMRSA-N 0 0 202.213 2.138 50 0 BEAARN NC(=O)c1sc(-c2ccc(F)cc2)cc1N ZINC000002565073 181314291 /nfs/dbraw/zinc/31/42/91/181314291.db2.gz VRUAXQODZDRLMI-UHFFFAOYSA-N 0 0 236.271 2.235 50 0 BEAARN NC(=O)c1sc(-c2ccsc2)cc1N ZINC000000081904 181314318 /nfs/dbraw/zinc/31/43/18/181314318.db2.gz BMUACLADCKCNKZ-UHFFFAOYSA-N 0 0 224.310 2.158 50 0 in-vivo BEAARN NC(=S)c1cc(Br)ccc1F ZINC000083256242 181320345 /nfs/dbraw/zinc/32/03/45/181320345.db2.gz CGRYONBRURJIIK-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN NC(=S)c1ccccc1OC(F)(F)F ZINC000021953908 181322006 /nfs/dbraw/zinc/32/20/06/181322006.db2.gz WVRLRVCJDVSKRC-UHFFFAOYSA-N 0 0 221.203 2.219 50 0 BEAARN O=C(Sc1ncccn1)c1ccco1 ZINC000006883789 361080805 /nfs/dbraw/zinc/08/08/05/361080805.db2.gz RALWIHVJNMFMNH-UHFFFAOYSA-N 0 0 206.226 2.002 50 0 BEAARN c1ccc2oc(NC3CCOCC3)nc2c1 ZINC000037999169 361092930 /nfs/dbraw/zinc/09/29/30/361092930.db2.gz UAFFMRQKENHPCM-UHFFFAOYSA-N 0 0 218.256 2.419 50 0 BEAARN Cc1nc2c(c(-c3cccnc3)n1)CCC2 ZINC000426444466 200986137 /nfs/dbraw/zinc/98/61/37/200986137.db2.gz GNMDDUCGRAEHPR-UHFFFAOYSA-N 0 0 211.268 2.336 50 0 BEAARN C[C@@H](Oc1cccc(-c2ccncc2)c1)C(N)=O ZINC000426719780 200997207 /nfs/dbraw/zinc/99/72/07/200997207.db2.gz CDEAGTNVWJTFAK-SNVBAGLBSA-N 0 0 242.278 2.001 50 0 BEAARN Cc1nc(CNCc2cccnc2C)oc1C ZINC000170087168 361390300 /nfs/dbraw/zinc/39/03/00/361390300.db2.gz LQSVJPIYYBTOGG-UHFFFAOYSA-N 0 0 231.299 2.285 50 0 BEAARN c1ccn(-c2cnn(Cc3ccccn3)c2)c1 ZINC000097148451 541325175 /nfs/dbraw/zinc/32/51/75/541325175.db2.gz DBOARKBSAZDMQJ-UHFFFAOYSA-N 0 0 224.267 2.117 50 0 BEAARN CC(=O)c1ccc(OC(=O)c2cc(C)on2)cc1 ZINC000007655862 364030297 /nfs/dbraw/zinc/03/02/97/364030297.db2.gz YNDYAQMWEUALQG-UHFFFAOYSA-N 0 0 245.234 2.405 50 0 BEAARN CNc1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1F ZINC000725273017 541340540 /nfs/dbraw/zinc/34/05/40/541340540.db2.gz XEASPQSMKUVIFJ-IUCAKERBSA-N 0 0 238.310 2.140 50 0 BEAARN COC(=O)c1c[nH]cc1Cc1ccccc1 ZINC000166651394 541354680 /nfs/dbraw/zinc/35/46/80/541354680.db2.gz YLYNQUULCLJVSW-UHFFFAOYSA-N 0 0 215.252 2.392 50 0 BEAARN Cc1csc(S[C@H](C)C(=O)NC(C)C)n1 ZINC000007814647 364465249 /nfs/dbraw/zinc/46/52/49/364465249.db2.gz KVBOEFRZKXHUET-MRVPVSSYSA-N 0 0 244.385 2.457 50 0 BEAARN CC(C)c1nccn1[C@H]1CCCC[C@H]1O ZINC000037694213 364527362 /nfs/dbraw/zinc/52/73/62/364527362.db2.gz IYRJOXOSRJODCP-WDEREUQCSA-N 0 0 208.305 2.483 50 0 BEAARN COc1ccc(C=Nn2cnnc2N=[N+]=[N-])cc1 ZINC000252633879 364625158 /nfs/dbraw/zinc/62/51/58/364625158.db2.gz WHZOQWKETRQWOL-UHFFFAOYSA-N 0 0 243.230 2.111 50 0 BEAARN C(=C\c1ccccc1)\COn1cccn1 ZINC000573650273 364883094 /nfs/dbraw/zinc/88/30/94/364883094.db2.gz BXXOZNXXUTXZRN-YWEYNIOJSA-N 0 0 200.241 2.025 50 0 BEAARN COc1cc(Cl)cc2c1OC[C@@H](C(C)=O)C2 ZINC000675063287 541464587 /nfs/dbraw/zinc/46/45/87/541464587.db2.gz ATNYVHZWTZHAQA-VIFPVBQESA-N 0 0 240.686 2.489 50 0 BEAARN C[C@H]1Oc2c(cccc2C(=O)N(C)C)[C@@H]1C ZINC000032820092 541502137 /nfs/dbraw/zinc/50/21/37/541502137.db2.gz NSSNZERKLFXAST-RKDXNWHRSA-N 0 0 219.284 2.273 50 0 BEAARN CC1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000032819045 541502312 /nfs/dbraw/zinc/50/23/12/541502312.db2.gz JYRSAMIXNJDGCZ-UHFFFAOYSA-N 0 0 206.289 2.323 50 0 BEAARN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc[nH]1 ZINC000194968610 367326421 /nfs/dbraw/zinc/32/64/21/367326421.db2.gz YQIBVPLVLLXCPQ-WCQYABFASA-N 0 0 244.269 2.440 50 0 BEAARN CCc1noc([C@H](C)SCC(C)=O)n1 ZINC000081273570 370864270 /nfs/dbraw/zinc/86/42/70/370864270.db2.gz OWBYLHRHAYPIEN-ZETCQYMHSA-N 0 0 214.290 2.015 50 0 BEAARN CC(=O)CSCc1noc(C(C)C)n1 ZINC000081273678 370864668 /nfs/dbraw/zinc/86/46/68/370864668.db2.gz MVYSPNYKNUCOHP-UHFFFAOYSA-N 0 0 214.290 2.015 50 0 BEAARN COC(=O)Cn1cnc2cccc3cccc1c32 ZINC000000198682 368054885 /nfs/dbraw/zinc/05/48/85/368054885.db2.gz PHVBBJBIZSDBIX-UHFFFAOYSA-N 0 0 240.262 2.363 50 0 BEAARN Fc1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1 ZINC000002523088 368368216 /nfs/dbraw/zinc/36/82/16/368368216.db2.gz AUWAJKSIVFUQBM-UHFFFAOYSA-N 0 0 232.140 2.025 50 0 BEAARN Cc1nnn2c1SCC(c1ccc(C)cc1)=N2 ZINC000019879056 368370870 /nfs/dbraw/zinc/37/08/70/368370870.db2.gz PMDPMXPYJBJXQS-UHFFFAOYSA-N 0 0 244.323 2.253 50 0 BEAARN CCOC(=O)C1=C(O)CCC2(CCC2)C1 ZINC000145473575 368349746 /nfs/dbraw/zinc/34/97/46/368349746.db2.gz IFLIONPIQRLKTJ-SECBINFHSA-N 0 0 210.273 2.089 50 0 BEAARN CCOC(=O)c1cc(O)cc2c1ccn2C(C)=O ZINC000019928671 368373368 /nfs/dbraw/zinc/37/33/68/368373368.db2.gz VOJLOAJUEZQHRT-UHFFFAOYSA-N 0 0 247.250 2.184 50 0 BEAARN Nc1cc(-c2ccncc2)nn1CC(F)(F)F ZINC000168706903 368397034 /nfs/dbraw/zinc/39/70/34/368397034.db2.gz IEJIIUKSWDVTEC-UHFFFAOYSA-N 0 0 242.204 2.090 50 0 BEAARN c1ccc(C[C@H]2COC(c3ccccn3)=N2)cc1 ZINC000034275670 368374355 /nfs/dbraw/zinc/37/43/55/368374355.db2.gz KDASQLQVBBTNJT-ZDUSSCGKSA-N 0 0 238.290 2.470 50 0 BEAARN COC(=O)c1cc(O)c(C)cc1Br ZINC000141932212 368390420 /nfs/dbraw/zinc/39/04/20/368390420.db2.gz UHPXFNAPNIAMRA-UHFFFAOYSA-N 0 0 245.072 2.250 50 0 BEAARN O=C(Nc1ccc2ccccc2n1)[C@H]1CCCO1 ZINC000058402077 368510902 /nfs/dbraw/zinc/51/09/02/368510902.db2.gz SZEUGIHAAVLXED-GFCCVEGCSA-N 0 0 242.278 2.352 50 0 BEAARN CN1c2ccccc2Nc2ncccc2C1=O ZINC000001403731 368628970 /nfs/dbraw/zinc/62/89/70/368628970.db2.gz ONUDKSCEPDVUPP-UHFFFAOYSA-N 0 0 225.251 2.415 50 0 BEAARN C[C@@H](c1cccnc1)N(C)C(=O)c1cccn1C ZINC000068171586 368715169 /nfs/dbraw/zinc/71/51/69/368715169.db2.gz LDSSVKOCKJAIAV-NSHDSACASA-N 0 0 243.310 2.253 50 0 BEAARN CC(C)c1nccn1-c1cncc(Cl)n1 ZINC000037066130 368859042 /nfs/dbraw/zinc/85/90/42/368859042.db2.gz BVZFIUFUONGKFZ-UHFFFAOYSA-N 0 0 222.679 2.439 50 0 BEAARN O=C([C@@H]1CCCOC1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000089818691 368955286 /nfs/dbraw/zinc/95/52/86/368955286.db2.gz VXMDLWLMHWTWQH-XQQFMLRXSA-N 0 0 237.343 2.204 50 0 BEAARN COCCC(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000584890661 369037035 /nfs/dbraw/zinc/03/70/35/369037035.db2.gz BQEKZUPVSYVTIP-CYBMUJFWSA-N 0 0 239.359 2.452 50 0 BEAARN Cc1ccc(SCC(=O)N2CCC2)cc1 ZINC000012866189 370973478 /nfs/dbraw/zinc/97/34/78/370973478.db2.gz OPQPHVRRNRUFRD-UHFFFAOYSA-N 0 0 221.325 2.319 50 0 BEAARN COC(=O)c1ccc(Cc2c(C)noc2C)o1 ZINC000526049378 370584365 /nfs/dbraw/zinc/58/43/65/370584365.db2.gz SFHYGPFJHUREFB-UHFFFAOYSA-N 0 0 235.239 2.262 50 0 BEAARN Cc1ccc(F)c(-c2ccc3c(nnn3C)n2)c1 ZINC000019795161 371189088 /nfs/dbraw/zinc/18/90/88/371189088.db2.gz QKOCXRQBPXMWQJ-UHFFFAOYSA-N 0 0 242.257 2.478 50 0 BEAARN CN(Cc1cccn1C)C(=O)c1ccccc1 ZINC000079107879 371182381 /nfs/dbraw/zinc/18/23/81/371182381.db2.gz CUJHLCPFVSBHRC-UHFFFAOYSA-N 0 0 228.295 2.297 50 0 BEAARN Nc1cccc(CC(=O)NC2CCCCC2)c1 ZINC000020155060 371238233 /nfs/dbraw/zinc/23/82/33/371238233.db2.gz RLAAFILTYPYXOE-UHFFFAOYSA-N 0 0 232.327 2.260 50 0 BEAARN O=C([C@H]1CC=CCC1)N1CC[C@@H](OCC2CC2)C1 ZINC000390832019 371239719 /nfs/dbraw/zinc/23/97/19/371239719.db2.gz WQQFHYYRBKICTJ-UONOGXRCSA-N 0 0 249.354 2.370 50 0 BEAARN C[C@H](C(=O)N[C@H]1CC=CCC1)C(F)(F)F ZINC000080382520 371279770 /nfs/dbraw/zinc/27/97/70/371279770.db2.gz LAIBLDWERGDKBW-SFYZADRCSA-N 0 0 221.222 2.410 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000253496092 181611855 /nfs/dbraw/zinc/61/18/55/181611855.db2.gz CXHPFIVQKACSEY-GFCCVEGCSA-N 0 0 233.242 2.453 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000002385964 181612424 /nfs/dbraw/zinc/61/24/24/181612424.db2.gz WSVMIVFELRCSPA-ZDUSSCGKSA-N 0 0 229.279 2.184 50 0 BEAARN Cn1cnc(-c2noc([C@@H]3C[C@@H]4C=C[C@H]3C4)n2)c1 ZINC000020560671 371298199 /nfs/dbraw/zinc/29/81/99/371298199.db2.gz KDBMDXQORREMBZ-KXUCPTDWSA-N 0 0 242.282 2.150 50 0 BEAARN Cc1oc(-c2ccccc2F)[n+]([O-])c1C ZINC000020663808 371310321 /nfs/dbraw/zinc/31/03/21/371310321.db2.gz MRFKDPPJQASGGD-UHFFFAOYSA-N 0 0 207.204 2.336 50 0 BEAARN Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000002454957 181672511 /nfs/dbraw/zinc/67/25/11/181672511.db2.gz PVKVTEYRFBNYMQ-UHFFFAOYSA-N 0 0 217.297 2.201 50 0 BEAARN [O-][n+]1cc(Cl)c(Br)cc1Cl ZINC000095836976 371355498 /nfs/dbraw/zinc/35/54/98/371355498.db2.gz RBCGLABZWSPLMV-UHFFFAOYSA-N 0 0 242.887 2.389 50 0 BEAARN Nc1cc(Cl)cc(Br)n1 ZINC000095635190 181684326 /nfs/dbraw/zinc/68/43/26/181684326.db2.gz WRDSYRBQXXLWBG-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000040448517 181698808 /nfs/dbraw/zinc/69/88/08/181698808.db2.gz DNDAEASRGBLZCN-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC ZINC000096125666 371416749 /nfs/dbraw/zinc/41/67/49/371416749.db2.gz DXTBLEGYEIFCHI-CQSZACIVSA-N 0 0 247.338 2.469 50 0 BEAARN Nc1ccc(C(=O)Nc2ccccc2N)cc1 ZINC000000001310 181702792 /nfs/dbraw/zinc/70/27/92/181702792.db2.gz QGMGHALXLXKCBD-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 in-man BEAARN Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000011847736 181730314 /nfs/dbraw/zinc/73/03/14/181730314.db2.gz CRKLDMOPXVDJLX-UHFFFAOYSA-N 0 0 228.251 2.065 50 0 BEAARN Nc1cccc(Cl)c1OC[C@@H]1CCCO1 ZINC000014629216 181744623 /nfs/dbraw/zinc/74/46/23/181744623.db2.gz LEFOYQWVEPKGCG-QMMMGPOBSA-N 0 0 227.691 2.480 50 0 BEAARN Nc1ccc(OCc2ccccc2)cn1 ZINC000019868916 181722957 /nfs/dbraw/zinc/72/29/57/181722957.db2.gz KMWUTRXLBBOIJE-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN Nc1cccc2c1-c1c(cccc1N)C2=O ZINC000002518915 181748571 /nfs/dbraw/zinc/74/85/71/181748571.db2.gz QMRQBHRUQRRJCX-UHFFFAOYSA-N 0 0 210.236 2.062 50 0 BEAARN Nc1cnn(-c2nc3ccccc3s2)c1 ZINC000003628589 181771211 /nfs/dbraw/zinc/77/12/11/181771211.db2.gz FHXOZUQFLXSUIL-UHFFFAOYSA-N 0 0 216.269 2.064 50 0 BEAARN COCCCN(C)C(=O)N1CCCC[C@H](C)C1 ZINC000225538997 371553195 /nfs/dbraw/zinc/55/31/95/371553195.db2.gz LXMKWMOUNLDYSJ-LBPRGKRZSA-N 0 0 242.363 2.197 50 0 BEAARN Nc1nc(-c2ccc(Br)o2)ns1 ZINC000028403031 181775692 /nfs/dbraw/zinc/77/56/92/181775692.db2.gz GWQOQDJUDWJVBH-UHFFFAOYSA-N 0 0 246.089 2.143 50 0 BEAARN CCSc1nnc(NC(=O)[C@H]2C[C@H]2C)s1 ZINC000002648644 371622204 /nfs/dbraw/zinc/62/22/04/371622204.db2.gz BLVUYYRLEVJVSH-RITPCOANSA-N 0 0 243.357 2.245 50 0 BEAARN Nc1n[nH]c(SC/C=C/c2ccccc2)n1 ZINC000006606797 181788434 /nfs/dbraw/zinc/78/84/34/181788434.db2.gz YXKLHKQHGCKSOQ-QPJJXVBHSA-N 0 0 232.312 2.192 50 0 BEAARN Nc1nc2cc3nc(N)sc3cc2s1 ZINC000000375167 181792365 /nfs/dbraw/zinc/79/23/65/181792365.db2.gz ALSFHDCCAKIYIQ-UHFFFAOYSA-N 0 0 222.298 2.070 50 0 BEAARN Cc1nc(NCc2csc(C3CC3)n2)n(C)n1 ZINC000162493545 371700749 /nfs/dbraw/zinc/70/07/49/371700749.db2.gz MNDJDKGEXRKUSC-UHFFFAOYSA-N 0 0 249.343 2.070 50 0 BEAARN FCCn1ccc(CNCc2ccccc2)n1 ZINC000227153946 371791868 /nfs/dbraw/zinc/79/18/68/371791868.db2.gz NNSCGZSDCWOXJS-UHFFFAOYSA-N 0 0 233.290 2.142 50 0 BEAARN O[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2sccc2C1 ZINC000216478512 371757110 /nfs/dbraw/zinc/75/71/10/371757110.db2.gz ALWUJNWBDWOKIF-NWDGAFQWSA-N 0 0 237.368 2.410 50 0 BEAARN Nc1noc2cccc(Br)c12 ZINC000043828376 181816238 /nfs/dbraw/zinc/81/62/38/181816238.db2.gz SYCUVFGUHBRMHZ-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN Nc1nnc(-c2cc(F)cc(F)c2)s1 ZINC000008726698 181812005 /nfs/dbraw/zinc/81/20/05/181812005.db2.gz BWBGVMZYFOEXCQ-UHFFFAOYSA-N 0 0 213.212 2.066 50 0 BEAARN Nc1nn(C(=O)c2ccccc2)c2ccccc12 ZINC000040513505 181812689 /nfs/dbraw/zinc/81/26/89/181812689.db2.gz JBOAALUZPTYNQP-UHFFFAOYSA-N 0 0 237.262 2.307 50 0 BEAARN Nn1c(-c2ccccc2)nnc1-c1ccccc1 ZINC000000054242 181821689 /nfs/dbraw/zinc/82/16/89/181821689.db2.gz DAZAXBYJPXKJJL-UHFFFAOYSA-N 0 0 236.278 2.326 50 0 BEAARN O=C(OCc1ccccc1)c1ccccn1 ZINC000003264676 371935975 /nfs/dbraw/zinc/93/59/75/371935975.db2.gz PNEBXWLVOMLIPS-UHFFFAOYSA-N 0 0 213.236 2.439 50 0 BEAARN Cc1cc(/N=c2\ssnc2Cl)no1 ZINC000003169297 371898639 /nfs/dbraw/zinc/89/86/39/371898639.db2.gz WRUOVHMRQWDAGZ-VURMDHGXSA-N 0 0 233.705 2.387 50 0 BEAARN O=C(/C=C/c1cccc(F)c1)Nc1ccon1 ZINC000001473126 181839350 /nfs/dbraw/zinc/83/93/50/181839350.db2.gz SBCGPSAORWLKHD-SNAWJCMRSA-N 0 0 232.214 2.466 50 0 BEAARN CC[C@H]1c2ccsc2CCN1S(C)(=O)=O ZINC000030426412 371923670 /nfs/dbraw/zinc/92/36/70/371923670.db2.gz XXBUPVPWNDVYQO-VIFPVBQESA-N 0 0 245.369 2.017 50 0 BEAARN O=C1/C(=C\c2ccccc2)N=C2CCCN12 ZINC000003394435 371981934 /nfs/dbraw/zinc/98/19/34/371981934.db2.gz KJHCFZJJOJRFFS-PKNBQFBNSA-N 0 0 212.252 2.062 50 0 BEAARN O=C(/C=C/c1cccs1)Nc1cnoc1 ZINC000075170812 181845453 /nfs/dbraw/zinc/84/54/53/181845453.db2.gz YANPPMYGZBYUIH-ONEGZZNKSA-N 0 0 220.253 2.388 50 0 BEAARN O=C(/C=C/c1ccccc1)N1CCCC1 ZINC000000241087 181839934 /nfs/dbraw/zinc/83/99/34/181839934.db2.gz JSIGICUAXLIURX-CMDGGOBGSA-N 0 0 201.269 2.322 50 0 biogenic,in-vitro BEAARN CCOc1c(N)cccc1Br ZINC000133410365 372041699 /nfs/dbraw/zinc/04/16/99/372041699.db2.gz JMAPHZOYULVBEN-UHFFFAOYSA-N 0 0 216.078 2.430 50 0 BEAARN Nc1cccc(Br)c1OCCF ZINC000133412911 372041762 /nfs/dbraw/zinc/04/17/62/372041762.db2.gz IGMJMAYTALDLLE-UHFFFAOYSA-N 0 0 234.068 2.380 50 0 BEAARN O=C(/C=C\c1ccco1)Nc1nccs1 ZINC000006226473 181850382 /nfs/dbraw/zinc/85/03/82/181850382.db2.gz FGMQMVDUTJGNGD-ARJAWSKDSA-N 0 0 220.253 2.388 50 0 BEAARN O[C@@H]1CCC[C@@H]1N1CCCc2ccccc21 ZINC000217798058 372012128 /nfs/dbraw/zinc/01/21/28/372012128.db2.gz QUKWNFUUTBVFCD-UONOGXRCSA-N 0 0 217.312 2.353 50 0 BEAARN Cc1csc(CCNC(=O)c2ccccc2)n1 ZINC000031849011 372118145 /nfs/dbraw/zinc/11/81/45/372118145.db2.gz HVRRBPMABQISGR-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN CC(N=Nc1ccccn1)c1ccccn1 ZINC000004114245 372145255 /nfs/dbraw/zinc/14/52/55/372145255.db2.gz JBCMRVYKGCNKAD-UHFFFAOYSA-N 0 0 212.256 2.313 50 0 BEAARN COC(=O)c1ccnc([C@@H]2CCCCC2=O)c1 ZINC000004137075 372150041 /nfs/dbraw/zinc/15/00/41/372150041.db2.gz GRDCCZSONAJHRF-JTQLQIEISA-N 0 0 233.267 2.095 50 0 BEAARN CCc1cc(C(=O)Nc2ccccc2OC)n[nH]1 ZINC000032144482 372151633 /nfs/dbraw/zinc/15/16/33/372151633.db2.gz GNOJIYNIENOPLA-UHFFFAOYSA-N 0 0 245.282 2.233 50 0 BEAARN CCCCSc1nnc2[nH]c(=O)cc(C)n21 ZINC000004249837 372182774 /nfs/dbraw/zinc/18/27/74/372182774.db2.gz GJSRVWCAOSYFCG-UHFFFAOYSA-N 0 0 238.316 2.031 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067092459 372695015 /nfs/dbraw/zinc/69/50/15/372695015.db2.gz KQRVPAGTJIGPEE-GHORINQJSA-N 0 0 233.286 2.454 50 0 BEAARN CCOC(=O)c1cc(C(C)(C)C)ncc1O ZINC000140543894 372707966 /nfs/dbraw/zinc/70/79/66/372707966.db2.gz BWGRPWRFPZTZPJ-UHFFFAOYSA-N 0 0 223.272 2.261 50 0 BEAARN Cc1cc(C)n(Cc2n[nH]c(=S)n2C2CC2)n1 ZINC000008549368 372756448 /nfs/dbraw/zinc/75/64/48/372756448.db2.gz WGDWUTZSUCQDAN-UHFFFAOYSA-N 0 0 249.343 2.137 50 0 BEAARN O=C(CNc1ccccc1F)N1CCCCC1 ZINC000058372529 181983170 /nfs/dbraw/zinc/98/31/70/181983170.db2.gz DZYSKHLQQSYQGA-UHFFFAOYSA-N 0 0 236.290 2.250 50 0 BEAARN O=C(c1ccno1)N1CC[C@H](c2ccccc2)C1 ZINC000038935573 372817761 /nfs/dbraw/zinc/81/77/61/372817761.db2.gz DPUAWVNPAOZTRN-LBPRGKRZSA-N 0 0 242.278 2.304 50 0 BEAARN O=C(COC(=O)c1ccoc1)Nc1ccccc1 ZINC000016157015 181991265 /nfs/dbraw/zinc/99/12/65/181991265.db2.gz SSNIWWHADJYFLN-UHFFFAOYSA-N 0 0 245.234 2.075 50 0 BEAARN CN(C)c1nsc(-c2ccc(N(C)C)cc2)n1 ZINC000426658169 372868096 /nfs/dbraw/zinc/86/80/96/372868096.db2.gz DWBNWURLKAVNSS-UHFFFAOYSA-N 0 0 248.355 2.337 50 0 BEAARN O=C(COc1ccccc1)Nc1ccccn1 ZINC000000329901 182003211 /nfs/dbraw/zinc/00/32/11/182003211.db2.gz DADANRVMAVMSFI-UHFFFAOYSA-N 0 0 228.251 2.099 50 0 BEAARN O=C(CSc1ccccc1F)NC1CC1 ZINC000043463593 182009340 /nfs/dbraw/zinc/00/93/40/182009340.db2.gz QMQAJLRNQVJSGP-UHFFFAOYSA-N 0 0 225.288 2.196 50 0 BEAARN O=C(CSc1ccccn1)Nc1ccccn1 ZINC000000055260 182010730 /nfs/dbraw/zinc/01/07/30/182010730.db2.gz YLCUNAZWVFFFHE-UHFFFAOYSA-N 0 0 245.307 2.207 50 0 BEAARN O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1CF ZINC000294219330 182012205 /nfs/dbraw/zinc/01/22/05/182012205.db2.gz WCUCEBJTHDWDDX-MNOVXSKESA-N 0 0 211.280 2.303 50 0 BEAARN CC(C)CC(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000008803763 372902302 /nfs/dbraw/zinc/90/23/02/372902302.db2.gz DMQPMMVCLGFHAL-UHFFFAOYSA-N 0 0 246.310 2.190 50 0 BEAARN OC(=C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000026842646 182023556 /nfs/dbraw/zinc/02/35/56/182023556.db2.gz LGRAOIBBJUNFDG-VIFPVBQESA-N 0 0 218.174 2.183 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCC1(CO)CCCC1 ZINC000067909872 182024960 /nfs/dbraw/zinc/02/49/60/182024960.db2.gz HFJDLQFURFFQNB-LBPRGKRZSA-N 0 0 237.343 2.012 50 0 BEAARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CN1 ZINC000039477435 372980198 /nfs/dbraw/zinc/98/01/98/372980198.db2.gz PDTLMKLERGEENQ-QMMMGPOBSA-N 0 0 229.201 2.309 50 0 BEAARN O=C(Cc1ccccc1)NCc1ccco1 ZINC000000037558 182044069 /nfs/dbraw/zinc/04/40/69/182044069.db2.gz QGLKOMNTVWSEOW-UHFFFAOYSA-N 0 0 215.252 2.139 50 0 BEAARN O=C(Cc1cccc(F)c1)NCc1ccncc1 ZINC000019934888 182040951 /nfs/dbraw/zinc/04/09/51/182040951.db2.gz UBKNCXDAQWEPRZ-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1cccs1)NCc1cccnc1 ZINC000000030621 182052642 /nfs/dbraw/zinc/05/26/42/182052642.db2.gz MPTCLEFCBIUNNL-UHFFFAOYSA-N 0 0 232.308 2.002 50 0 BEAARN O=C(Cc1cccs1)N[C@H]1CC[C@H](F)C1 ZINC000336560648 182052758 /nfs/dbraw/zinc/05/27/58/182052758.db2.gz BVUVBSUZUPPJBB-IUCAKERBSA-N 0 0 227.304 2.297 50 0 BEAARN O=C(Cc1nc2ccccc2[nH]1)N1CCCCC1 ZINC000000227633 182061409 /nfs/dbraw/zinc/06/14/09/182061409.db2.gz ZXKWTNRUNLCDQT-UHFFFAOYSA-N 0 0 243.310 2.118 50 0 BEAARN O=C(Cc1ccsc1)NCCc1ccoc1 ZINC000096120578 182058086 /nfs/dbraw/zinc/05/80/86/182058086.db2.gz PSVSIYPEIGMHCP-UHFFFAOYSA-N 0 0 235.308 2.243 50 0 BEAARN CC[C@@H](C)NC(=O)CCc1nc(C(C)C)no1 ZINC000040088736 373104590 /nfs/dbraw/zinc/10/45/90/373104590.db2.gz ICJHEZRCOJSVAZ-SECBINFHSA-N 0 0 239.319 2.040 50 0 BEAARN O=C(Cn1cccn1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032903898 182068336 /nfs/dbraw/zinc/06/83/36/182068336.db2.gz CUXQUDCXAPCFDD-QWHCGFSZSA-N 0 0 247.342 2.064 50 0 BEAARN Cn1ccnc1-c1ccc(C=O)c(F)c1 ZINC000069028038 373107792 /nfs/dbraw/zinc/10/77/92/373107792.db2.gz PZYRZMAIAXHSRK-UHFFFAOYSA-N 0 0 204.204 2.039 50 0 BEAARN O=C(Cn1cnc2ccccc21)N1CCCCC1 ZINC000004386172 182072738 /nfs/dbraw/zinc/07/27/38/182072738.db2.gz IDJIPJDBCPUJLV-UHFFFAOYSA-N 0 0 243.310 2.049 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000013746842 205460119 /nfs/dbraw/zinc/46/01/19/205460119.db2.gz RBKWRERYPKKKEE-XPUUQOCRSA-N 0 0 210.664 2.330 50 0 BEAARN O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCCO1 ZINC000040476143 182092264 /nfs/dbraw/zinc/09/22/64/182092264.db2.gz GVBBVBUILDHBFT-ZDUSSCGKSA-N 0 0 245.322 2.361 50 0 BEAARN O=C(NC1=NCCS1)c1cccc(Cl)c1 ZINC000000304495 182093319 /nfs/dbraw/zinc/09/33/19/182093319.db2.gz YXSODEZWMWYRAN-UHFFFAOYSA-N 0 0 240.715 2.173 50 0 BEAARN O=C(NC1CC1)C1(c2ccc(F)cc2)CC1 ZINC000021695364 182094691 /nfs/dbraw/zinc/09/46/91/182094691.db2.gz KPSJDMDYBVKSLJ-UHFFFAOYSA-N 0 0 219.259 2.136 50 0 BEAARN O=C(c1cnccn1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000040473443 373292190 /nfs/dbraw/zinc/29/21/90/373292190.db2.gz IDIZFMNUEFVPKB-AAEUAGOBSA-N 0 0 245.326 2.271 50 0 BEAARN CCCC(=O)N1CCC[C@@H]1c1cccn1C ZINC000040473066 373292347 /nfs/dbraw/zinc/29/23/47/373292347.db2.gz KBLZVTMYOSFSGG-GFCCVEGCSA-N 0 0 220.316 2.489 50 0 BEAARN O=C(NC1CC1)NC1C2CC3CC(C2)CC1C3 ZINC000096402265 182096465 /nfs/dbraw/zinc/09/64/65/182096465.db2.gz BHPZGNGOFVBYJG-UHFFFAOYSA-N 0 0 234.343 2.273 50 0 BEAARN O=C(NC1CC1)c1cc2ccccc2o1 ZINC000000471743 182100161 /nfs/dbraw/zinc/10/01/61/182100161.db2.gz YRAMLEGGJKHCIZ-UHFFFAOYSA-N 0 0 201.225 2.325 50 0 BEAARN O=C(NC1CCCC1)c1ccc(O)cc1 ZINC000019837252 182111133 /nfs/dbraw/zinc/11/11/33/182111133.db2.gz BVWFBIGOEVEUIM-UHFFFAOYSA-N 0 0 205.257 2.065 50 0 BEAARN O=C(NC1CCCC1)c1cnc2ccccc2n1 ZINC000000428041 182111229 /nfs/dbraw/zinc/11/12/29/182111229.db2.gz WZLJUOKACAQFQD-UHFFFAOYSA-N 0 0 241.294 2.302 50 0 BEAARN CC[C@@H](C)C(=O)NCCc1ccsc1 ZINC000040509491 373375499 /nfs/dbraw/zinc/37/54/99/373375499.db2.gz OAFYNBJAMVEYGJ-SECBINFHSA-N 0 0 211.330 2.453 50 0 BEAARN O=C(CC[C@H]1CCCO1)NC1CCCC1 ZINC000040506038 373370637 /nfs/dbraw/zinc/37/06/37/373370637.db2.gz SHYLECRZJOFRKY-LLVKDONJSA-N 0 0 211.305 2.004 50 0 BEAARN Cc1ccc(CCNC(=O)C2CCCC2)o1 ZINC000040516534 373418402 /nfs/dbraw/zinc/41/84/02/373418402.db2.gz VTNXLLLGWHWPFJ-UHFFFAOYSA-N 0 0 221.300 2.437 50 0 BEAARN O=C(NC1CCCCCCC1)c1ccc[nH]c1=O ZINC000013003036 182116043 /nfs/dbraw/zinc/11/60/43/182116043.db2.gz ALWFHIMIYZKYAJ-UHFFFAOYSA-N 0 0 248.326 2.218 50 0 BEAARN CS[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000040523484 373446902 /nfs/dbraw/zinc/44/69/02/373446902.db2.gz DYWKOUKYZVZDDY-LURJTMIESA-N 0 0 230.720 2.425 50 0 BEAARN CS[C@@H](C)C(=O)NCCc1ccsc1 ZINC000040525097 373449279 /nfs/dbraw/zinc/44/92/79/373449279.db2.gz JMIJZCAOKCIOHA-QMMMGPOBSA-N 0 0 229.370 2.158 50 0 BEAARN CCCc1ccccc1NC(=O)N[C@H](C)CO ZINC000040526923 373454634 /nfs/dbraw/zinc/45/46/34/373454634.db2.gz VJKCQHZJXZGTOZ-SNVBAGLBSA-N 0 0 236.315 2.141 50 0 BEAARN O=C(COCC(F)(F)F)NC1CCCCC1 ZINC000040530156 373460428 /nfs/dbraw/zinc/46/04/28/373460428.db2.gz NYINCKDQVKJWOX-UHFFFAOYSA-N 0 0 239.237 2.014 50 0 BEAARN O=C(NCC1CC1)N1CCc2sccc2C1 ZINC000025089261 182138105 /nfs/dbraw/zinc/13/81/05/182138105.db2.gz PRGAPWYBTBKRQV-UHFFFAOYSA-N 0 0 236.340 2.226 50 0 BEAARN O=C(NCC1CC1)[C@H]1Cc2ccccc2S1 ZINC000023174993 182139692 /nfs/dbraw/zinc/13/96/92/182139692.db2.gz OLZCYHGGPAGNKZ-GFCCVEGCSA-N 0 0 233.336 2.230 50 0 BEAARN O=C(NCC1CCC1)c1ccc2c(c1)CCO2 ZINC000031438232 182144408 /nfs/dbraw/zinc/14/44/08/182144408.db2.gz MZLYFWRTSVDUQC-UHFFFAOYSA-N 0 0 231.295 2.151 50 0 BEAARN O=C(NCCC1=CCCCC1)[C@H]1CCCO1 ZINC000004893788 182152614 /nfs/dbraw/zinc/15/26/14/182152614.db2.gz YYQYPYRDMLPRAU-GFCCVEGCSA-N 0 0 223.316 2.172 50 0 BEAARN CCCCNC(=O)N1CCC[C@@]1(C)CCCO ZINC000095942753 168849564 /nfs/dbraw/zinc/84/95/64/168849564.db2.gz QGFDLHWIEIPHCI-ZDUSSCGKSA-N 0 0 242.363 2.123 50 0 BEAARN Cc1ccc2c(cnn2CCC(=O)NC2CC2)c1 ZINC000040758597 373687744 /nfs/dbraw/zinc/68/77/44/373687744.db2.gz LNJUEZBDBZQERW-UHFFFAOYSA-N 0 0 243.310 2.013 50 0 BEAARN O=C(NCCC[C@@H]1CCOC1)Nc1cccnc1 ZINC000299771682 182175762 /nfs/dbraw/zinc/17/57/62/182175762.db2.gz VYZBIKAWDPDREO-LLVKDONJSA-N 0 0 249.314 2.020 50 0 BEAARN O=C(NCCCO)c1ccc(Cl)cc1Cl ZINC000012020834 182170440 /nfs/dbraw/zinc/17/04/40/182170440.db2.gz SGVPASSCFLRYKD-UHFFFAOYSA-N 0 0 248.109 2.106 50 0 BEAARN CCc1ccsc1C(=O)Nc1c[nH]ccc1=O ZINC000069815027 373834294 /nfs/dbraw/zinc/83/42/94/373834294.db2.gz JYQMETMUFIKGKO-UHFFFAOYSA-N 0 0 248.307 2.251 50 0 BEAARN O=C(NCCSC(F)(F)F)N1CCCC1 ZINC000169958602 182197356 /nfs/dbraw/zinc/19/73/56/182197356.db2.gz FFIGYPHEVROVPS-UHFFFAOYSA-N 0 0 242.266 2.045 50 0 BEAARN O=C(NCC[C@@H](O)C1CC1)Nc1cccs1 ZINC000077108650 182199244 /nfs/dbraw/zinc/19/92/44/182199244.db2.gz FTRBMBDRQHJKMD-SECBINFHSA-N 0 0 240.328 2.031 50 0 BEAARN O=C(NCC[C@H](O)C1CC1)Nc1cccs1 ZINC000077108648 182200146 /nfs/dbraw/zinc/20/01/46/182200146.db2.gz FTRBMBDRQHJKMD-VIFPVBQESA-N 0 0 240.328 2.031 50 0 BEAARN O=C(NCC[C@H](O)c1cccs1)C1CCC1 ZINC000077113071 182200551 /nfs/dbraw/zinc/20/05/51/182200551.db2.gz LZEDSYSWQGNSMZ-JTQLQIEISA-N 0 0 239.340 2.088 50 0 BEAARN O=C(NCCc1ccccc1F)c1ccco1 ZINC000012930785 182204709 /nfs/dbraw/zinc/20/47/09/182204709.db2.gz MCISDMISHOKMAE-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCn1cccc1)[C@H]1C[C@@H]1c1ccco1 ZINC000096449881 182213249 /nfs/dbraw/zinc/21/32/49/182213249.db2.gz XQOQKFLYYGFBKS-RYUDHWBXSA-N 0 0 244.294 2.001 50 0 BEAARN O=C(NCCc1ccco1)c1cccc(F)c1 ZINC000013014520 182207010 /nfs/dbraw/zinc/20/70/10/182207010.db2.gz KFWQIRUGPMCBFG-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1ccco1)NC1CCCC1 ZINC000040477792 182207277 /nfs/dbraw/zinc/20/72/77/182207277.db2.gz IMNJJDIQPJPVQX-UHFFFAOYSA-N 0 0 222.288 2.064 50 0 BEAARN O=C(NCCc1ccncc1)Nc1ccccc1 ZINC000000617164 182209084 /nfs/dbraw/zinc/20/90/84/182209084.db2.gz SNXFCCCCGJARBD-UHFFFAOYSA-N 0 0 241.294 2.446 50 0 BEAARN O=C(NCCc1ccoc1)NCc1ccccc1 ZINC000090607451 182209341 /nfs/dbraw/zinc/20/93/41/182209341.db2.gz BTOIIJRLXLBWAF-UHFFFAOYSA-N 0 0 244.294 2.322 50 0 BEAARN Cc1ccc(CN2CCO[C@H](C)C2)cc1 ZINC000041194280 374118353 /nfs/dbraw/zinc/11/83/53/374118353.db2.gz JNQSTZSGHMZICE-GFCCVEGCSA-N 0 0 205.301 2.216 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1ccccc1Cl ZINC000000029252 182239978 /nfs/dbraw/zinc/23/99/78/182239978.db2.gz HOJRGAVTPWHWKA-SECBINFHSA-N 0 0 239.702 2.249 50 0 BEAARN Cc1nc(CNC(=O)c2cccnc2)sc1C ZINC000041538342 374145310 /nfs/dbraw/zinc/14/53/10/374145310.db2.gz GGPZYAOOZADKFA-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN CC(C)(C)[C@@H](NS(C)(=O)=O)c1cccs1 ZINC000041627187 374166036 /nfs/dbraw/zinc/16/60/36/374166036.db2.gz WZIBMHDSPGWTQG-VIFPVBQESA-N 0 0 247.385 2.385 50 0 BEAARN O=C(NCc1ccccc1)Nc1cccnc1 ZINC000009220899 182255645 /nfs/dbraw/zinc/25/56/45/182255645.db2.gz OSVREKDEZIBUEC-UHFFFAOYSA-N 0 0 227.267 2.403 50 0 BEAARN O=C(NC[C@H]1C[C@H]1c1ccccc1)NC1CC1 ZINC000089827969 182246910 /nfs/dbraw/zinc/24/69/10/182246910.db2.gz SIXZOAQDUXMOHH-YPMHNXCESA-N 0 0 230.311 2.252 50 0 BEAARN O=C(NCc1cc(-c2ccco2)on1)C1CCC1 ZINC000038754536 182247779 /nfs/dbraw/zinc/24/77/79/182247779.db2.gz PISYAOWGNXLZGP-UHFFFAOYSA-N 0 0 246.266 2.351 50 0 BEAARN O=C(NCc1ccco1)c1ccc[nH]c1=S ZINC000009745675 182263044 /nfs/dbraw/zinc/26/30/44/182263044.db2.gz APLLLVZRQXOUPX-UHFFFAOYSA-N 0 0 234.280 2.267 50 0 BEAARN O=C(NCc1ccco1)c1cc(F)cc(F)c1 ZINC000009602265 182263481 /nfs/dbraw/zinc/26/34/81/182263481.db2.gz RAODCJDQIXYBDH-UHFFFAOYSA-N 0 0 237.205 2.488 50 0 BEAARN CC(C)Cc1nn2c([nH]1)c1ccccc1nc2=O ZINC000009940312 374260340 /nfs/dbraw/zinc/26/03/40/374260340.db2.gz NLVBLYDJIKODSF-UHFFFAOYSA-N 0 0 242.282 2.182 50 0 BEAARN O=C(NCc1cccnc1)c1ccc(Cl)nc1 ZINC000017168852 182260370 /nfs/dbraw/zinc/26/03/70/182260370.db2.gz ZDDWIOPNYGWTQL-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN O=C(NCc1ccco1)c1ccc(F)cc1 ZINC000000037536 182262693 /nfs/dbraw/zinc/26/26/93/182262693.db2.gz CQVMMLOUICWDFD-UHFFFAOYSA-N 0 0 219.215 2.349 50 0 BEAARN CCCCCC[C@@H](C)NC(=O)NOC ZINC000071802048 374292745 /nfs/dbraw/zinc/29/27/45/374292745.db2.gz JECKRYPSFMOPQR-SECBINFHSA-N 0 0 202.298 2.206 50 0 BEAARN C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)C1CC1 ZINC000071798771 374293068 /nfs/dbraw/zinc/29/30/68/374293068.db2.gz PWPOYPFSTAPMAS-IUCAKERBSA-N 0 0 210.321 2.225 50 0 BEAARN O=C(NCc1ccoc1)OCC(F)(F)F ZINC000048263520 182266485 /nfs/dbraw/zinc/26/64/85/182266485.db2.gz KRBSAKNCJSKSMZ-UHFFFAOYSA-N 0 0 223.150 2.068 50 0 BEAARN O=C(NCc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000040488991 182269079 /nfs/dbraw/zinc/26/90/79/182269079.db2.gz XSIZIRDUFQNUFC-UHFFFAOYSA-N 0 0 249.701 2.014 50 0 BEAARN O=C(NOCc1ccccc1)Nc1cccnc1 ZINC000036387073 182283641 /nfs/dbraw/zinc/28/36/41/182283641.db2.gz PPRZQDISYQAOSU-UHFFFAOYSA-N 0 0 243.266 2.335 50 0 BEAARN O=C(N[C@@H]1CCCc2occc21)c1ccccn1 ZINC000032771116 182301446 /nfs/dbraw/zinc/30/14/46/182301446.db2.gz SFNKKBGDOVZMRI-LLVKDONJSA-N 0 0 242.278 2.482 50 0 BEAARN O=C(N[C@@H]1CCOc2ccccc21)C1CCC1 ZINC000007215028 182306619 /nfs/dbraw/zinc/30/66/19/182306619.db2.gz IYVBYXNAXRLWAE-GFCCVEGCSA-N 0 0 231.295 2.427 50 0 BEAARN O=C(N[C@H]1CCCC[C@@H]1O)OCc1ccccc1 ZINC000051990189 182328304 /nfs/dbraw/zinc/32/83/04/182328304.db2.gz IDQLGJJPYSFXPM-STQMWFEESA-N 0 0 249.310 2.216 50 0 BEAARN O=C(N[C@H]1CCC[C@@H](O)C1)OCc1ccccc1 ZINC000095698624 182331808 /nfs/dbraw/zinc/33/18/08/182331808.db2.gz FYIZIYCXUSGNLZ-QWHCGFSZSA-N 0 0 249.310 2.216 50 0 BEAARN O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CCCO1 ZINC000031036692 182325122 /nfs/dbraw/zinc/32/51/22/182325122.db2.gz OVPSWWHKGXDZRQ-ZIAGYGMSSA-N 0 0 245.322 2.433 50 0 BEAARN O=C(N[C@H]1CCCc2occc21)c1ccccn1 ZINC000032771118 182334569 /nfs/dbraw/zinc/33/45/69/182334569.db2.gz SFNKKBGDOVZMRI-NSHDSACASA-N 0 0 242.278 2.482 50 0 BEAARN O=C(Nc1cc[nH]n1)[C@H]1C[C@H]1c1ccccc1 ZINC000068440517 182351195 /nfs/dbraw/zinc/35/11/95/182351195.db2.gz FYKXVAXNLRZOPO-QWRGUYRKSA-N 0 0 227.267 2.152 50 0 BEAARN O=C(Nc1c[nH]c2ccccc12)c1ccnnc1 ZINC000020999847 182346443 /nfs/dbraw/zinc/34/64/43/182346443.db2.gz ZVCTUVLJJVDQNM-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1c[nH]c2ccccc12)N1CCOCC1 ZINC000005299815 182347156 /nfs/dbraw/zinc/34/71/56/182347156.db2.gz XAAXMWDVGLNGQB-UHFFFAOYSA-N 0 0 245.282 2.032 50 0 BEAARN O=C(Nc1c[nH]c2ccccc12)c1cn[nH]c1 ZINC000019112721 182347272 /nfs/dbraw/zinc/34/72/72/182347272.db2.gz VTHGSHWAAXZXKU-UHFFFAOYSA-N 0 0 226.239 2.143 50 0 BEAARN O=C(Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000010216225 182363519 /nfs/dbraw/zinc/36/35/19/182363519.db2.gz YSYOQQDEKIVNPE-UHFFFAOYSA-N 0 0 233.267 2.196 50 0 BEAARN O=C(Nc1ccc2c(c1)CCN2)c1ccoc1 ZINC000063188095 182364267 /nfs/dbraw/zinc/36/42/67/182364267.db2.gz ANJQQYJPCARYTN-UHFFFAOYSA-N 0 0 228.251 2.500 50 0 BEAARN O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1O ZINC000052003261 182375871 /nfs/dbraw/zinc/37/58/71/182375871.db2.gz AUDCZNMODKREEO-VXGBXAGGSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccccc1Cl)[C@H]1CCCO1 ZINC000005771524 182377616 /nfs/dbraw/zinc/37/76/16/182377616.db2.gz UNNZPGJQMWZMHC-SNVBAGLBSA-N 0 0 225.675 2.458 50 0 BEAARN O=C(Nc1ccccc1)c1cn2c(n1)CCCC2 ZINC000075531367 182377935 /nfs/dbraw/zinc/37/79/35/182377935.db2.gz UXSGYMOYELKWJO-UHFFFAOYSA-N 0 0 241.294 2.472 50 0 BEAARN O=C(Nc1ccccc1CO)c1cccs1 ZINC000042207750 182378164 /nfs/dbraw/zinc/37/81/64/182378164.db2.gz HWODLFQRJICZBQ-UHFFFAOYSA-N 0 0 233.292 2.493 50 0 BEAARN O=C(Nc1cccc(F)c1)C(F)(F)F ZINC000003196213 182369788 /nfs/dbraw/zinc/36/97/88/182369788.db2.gz WWKUHNUESPCMSE-UHFFFAOYSA-N 0 0 207.126 2.327 50 0 BEAARN O=C(Nc1cccc2cnccc21)c1cn[nH]c1 ZINC000037373321 182374099 /nfs/dbraw/zinc/37/40/99/182374099.db2.gz YFRFBLDTDYHCKW-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000035237536 182392674 /nfs/dbraw/zinc/39/26/74/182392674.db2.gz VWZHDCOELKJRON-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCO1 ZINC000040488658 182392028 /nfs/dbraw/zinc/39/20/28/182392028.db2.gz ZMAAXGCCLARCDR-ZDUSSCGKSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1ccccn1)c1cccc(F)c1 ZINC000000341689 182383253 /nfs/dbraw/zinc/38/32/53/182383253.db2.gz UVGVHCSGRJZARS-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1cccnc1)c1ccc2c(c1)CCO2 ZINC000032796261 182383776 /nfs/dbraw/zinc/38/37/76/182383776.db2.gz NQOZHIMNQXUCGX-UHFFFAOYSA-N 0 0 240.262 2.269 50 0 BEAARN O=C(Nc1cccnc1)OCCc1ccccn1 ZINC000000067704 182384367 /nfs/dbraw/zinc/38/43/67/182384367.db2.gz WMKJGZNEXCRUCW-UHFFFAOYSA-N 0 0 243.266 2.268 50 0 BEAARN O=C(Nc1ccn2nccc2c1)c1ccco1 ZINC000217955467 182385333 /nfs/dbraw/zinc/38/53/33/182385333.db2.gz ALXMTLMZXFGLIY-UHFFFAOYSA-N 0 0 227.223 2.180 50 0 BEAARN O=C(Nc1ccncc1Cl)c1ccncc1 ZINC000006943806 182387361 /nfs/dbraw/zinc/38/73/61/182387361.db2.gz YYTMBGZDOXJUSQ-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccncc1F)N[C@H]1C=CCCC1 ZINC000097135952 182388078 /nfs/dbraw/zinc/38/80/78/182388078.db2.gz CXUBEYJNNLBUGM-VIFPVBQESA-N 0 0 235.262 2.451 50 0 BEAARN O=C(Nc1ccnn1Cc1ccccc1)C1CC1 ZINC000032897869 182388612 /nfs/dbraw/zinc/38/86/12/182388612.db2.gz ZLTJXWGJTVWSLD-UHFFFAOYSA-N 0 0 241.294 2.280 50 0 BEAARN O=C(Nc1nc2c(s1)CCC2)c1ccncc1 ZINC000015636379 182398679 /nfs/dbraw/zinc/39/86/79/182398679.db2.gz KXMGFPSIMJWDHU-UHFFFAOYSA-N 0 0 245.307 2.279 50 0 BEAARN O=C(Nc1ncccc1O)c1cc(Cl)c[nH]1 ZINC000065517594 182399078 /nfs/dbraw/zinc/39/90/78/182399078.db2.gz YUWMLEHIBZCAAO-UHFFFAOYSA-N 0 0 237.646 2.021 50 0 BEAARN O=C(Nc1cnns1)c1ccc2c(c1)CCC2 ZINC000170605792 182396110 /nfs/dbraw/zinc/39/61/10/182396110.db2.gz NCUVZLKBCNCBQM-UHFFFAOYSA-N 0 0 245.307 2.279 50 0 BEAARN O=C(Nc1cnn(CC(F)(F)F)c1)C1CCC1 ZINC000072243840 182396284 /nfs/dbraw/zinc/39/62/84/182396284.db2.gz YZQCNQMLKSXDSP-UHFFFAOYSA-N 0 0 247.220 2.184 50 0 BEAARN O=C(Nc1nnc(C2CCC2)[nH]1)[C@@H]1CC=CCC1 ZINC000097376661 182396896 /nfs/dbraw/zinc/39/68/96/182396896.db2.gz DGZHQZSHZRMEFS-SNVBAGLBSA-N 0 0 246.314 2.367 50 0 BEAARN O=C(Nc1noc2ncccc12)c1ccccc1 ZINC000011694955 182406197 /nfs/dbraw/zinc/40/61/97/182406197.db2.gz LAXUZAPNHJJAMC-UHFFFAOYSA-N 0 0 239.234 2.475 50 0 BEAARN CCCCNc1nnc(SC)s1 ZINC000032910552 168881538 /nfs/dbraw/zinc/88/15/38/168881538.db2.gz LTBRCKVANHDLQP-UHFFFAOYSA-N 0 0 203.336 2.472 50 0 BEAARN CCOC(=O)COc1cccc2cccnc21 ZINC000000407609 170229548 /nfs/dbraw/zinc/22/95/48/170229548.db2.gz UMSJLXSVLSTJAP-UHFFFAOYSA-N 0 0 231.251 2.177 50 0 BEAARN O=C(c1cccs1)N1CCC=C(F)C1 ZINC000272125551 182686290 /nfs/dbraw/zinc/68/62/90/182686290.db2.gz RELPPBKVWVNIKB-UHFFFAOYSA-N 0 0 211.261 2.447 50 0 BEAARN O=C1CC[C@@H](c2ccc(Br)cc2)N1 ZINC000038843787 182749251 /nfs/dbraw/zinc/74/92/51/182749251.db2.gz PFJCJXIUAVSTJB-VIFPVBQESA-N 0 0 240.100 2.400 50 0 BEAARN O=C1NC(=O)[C@H](Cc2ccc(Cl)cc2)S1 ZINC000001453005 182794042 /nfs/dbraw/zinc/79/40/42/182794042.db2.gz TYLZVLVSYYQUKZ-QMMMGPOBSA-N 0 0 241.699 2.234 50 0 BEAARN O=C1NCc2ccc(Br)cc2N1 ZINC000045328868 182816039 /nfs/dbraw/zinc/81/60/39/182816039.db2.gz BPYIKIULEAEKEE-UHFFFAOYSA-N 0 0 227.061 2.084 50 0 BEAARN O=C1NCCCC[C@H]1Nc1ccc(Cl)cc1 ZINC000020051236 182799444 /nfs/dbraw/zinc/79/94/44/182799444.db2.gz PCTANNOZLVBRFR-LLVKDONJSA-N 0 0 238.718 2.421 50 0 BEAARN O=C1c2ccccc2C(=O)N1[C@@H]1C=CCCC1 ZINC000039041666 182844503 /nfs/dbraw/zinc/84/45/03/182844503.db2.gz HMTXWVRLPMCEGE-SNVBAGLBSA-N 0 0 227.263 2.391 50 0 BEAARN O=C1[C@@H]2CCCCN2C(=O)N1c1ccccc1 ZINC000033985784 182838636 /nfs/dbraw/zinc/83/86/36/182838636.db2.gz QWAOLYQIJVREPT-NSHDSACASA-N 0 0 230.267 2.008 50 0 BEAARN O=Cc1c(Cl)cncc1Br ZINC000086029378 182858689 /nfs/dbraw/zinc/85/86/89/182858689.db2.gz JLQBWCMANGAHMK-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN O=Cc1ccc(F)cc1Br ZINC000002567808 182867312 /nfs/dbraw/zinc/86/73/12/182867312.db2.gz OPZDXMCOWFPQPE-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN CCCCOc1cc(C(N)=O)ccc1C ZINC000085262540 168915550 /nfs/dbraw/zinc/91/55/50/168915550.db2.gz DFCXNSHFPKQIFB-UHFFFAOYSA-N 0 0 207.273 2.273 50 0 BEAARN O=c1cc[nH]c2cc(Br)ccc12 ZINC000032099671 182998900 /nfs/dbraw/zinc/99/89/00/182998900.db2.gz GGCBEWNXEGDQAP-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN O=c1ccc2cc(Br)ccc2[nH]1 ZINC000019721478 183001415 /nfs/dbraw/zinc/00/14/15/183001415.db2.gz YLAFBGATSQRSTB-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 in-vitro BEAARN O=c1onc(-c2cccnc2)n1[C@@H]1C=CCCC1 ZINC000084425267 183013500 /nfs/dbraw/zinc/01/35/00/183013500.db2.gz DILKHZHYQMMMEX-LLVKDONJSA-N 0 0 243.266 2.180 50 0 BEAARN O=c1onc(-c2cccnc2)n1[C@H]1C=CCCC1 ZINC000084425265 183013545 /nfs/dbraw/zinc/01/35/45/183013545.db2.gz DILKHZHYQMMMEX-NSHDSACASA-N 0 0 243.266 2.180 50 0 BEAARN O=c1cc(-c2ccc(Cl)cc2)oc(=O)[nH]1 ZINC000000142710 183010442 /nfs/dbraw/zinc/01/04/42/183010442.db2.gz AURXOSYGQCITQF-UHFFFAOYSA-N 0 0 223.615 2.061 50 0 BEAARN O=c1oc(-c2cccnc2)nc2ccccc21 ZINC000000127410 183011653 /nfs/dbraw/zinc/01/16/53/183011653.db2.gz GZRBBQAPCOAZMQ-UHFFFAOYSA-N 0 0 224.219 2.250 50 0 BEAARN OC1CCN(c2nc3ccccc3s2)CC1 ZINC000012774325 183031028 /nfs/dbraw/zinc/03/10/28/183031028.db2.gz FYQZCTGFVKYORF-UHFFFAOYSA-N 0 0 234.324 2.257 50 0 BEAARN OC1(c2ncc(Br)s2)CCC1 ZINC000117789216 183024646 /nfs/dbraw/zinc/02/46/46/183024646.db2.gz OQWFCUGPWYCCSO-UHFFFAOYSA-N 0 0 234.118 2.277 50 0 BEAARN O=C1CS[C@H](c2cccnc2)c2c[nH]nc2N1 ZINC000020720472 183025534 /nfs/dbraw/zinc/02/55/34/183025534.db2.gz QZDVMNAZZOUMRA-SNVBAGLBSA-N 0 0 246.295 2.229 50 0 BEAARN O=C1C[C@@H](c2ccc(O)cc2)c2c[nH]nc2N1 ZINC000020732785 183026143 /nfs/dbraw/zinc/02/61/43/183026143.db2.gz KEAARDSWPOQPFH-VIFPVBQESA-N 0 0 229.239 2.239 50 0 BEAARN O=C1C[C@@H](c2cccc(O)c2)c2c[nH]nc2N1 ZINC000020745110 183026172 /nfs/dbraw/zinc/02/61/72/183026172.db2.gz ALGCCRDGAJBDGY-VIFPVBQESA-N 0 0 229.239 2.239 50 0 BEAARN OCC1CCN(Cc2cccc(F)c2F)CC1 ZINC000046090543 183041175 /nfs/dbraw/zinc/04/11/75/183041175.db2.gz HUKPNCFBZPPZET-UHFFFAOYSA-N 0 0 241.281 2.169 50 0 BEAARN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OC ZINC000068708501 168975233 /nfs/dbraw/zinc/97/52/33/168975233.db2.gz JJTVJYIRQKTDEE-UTUOFQBUSA-N 0 0 227.348 2.496 50 0 BEAARN OCCN(CC1CC1)c1cccc(F)c1 ZINC000095978894 183065457 /nfs/dbraw/zinc/06/54/57/183065457.db2.gz MUINKTYHKUANDX-UHFFFAOYSA-N 0 0 209.264 2.034 50 0 BEAARN OCCN/C=C1/c2ccccc2-c2ncccc21 ZINC000013563313 183071882 /nfs/dbraw/zinc/07/18/82/183071882.db2.gz MSESDOVQCXMLHM-UVTDQMKNSA-N 0 0 238.290 2.033 50 0 BEAARN OCCOc1ccc(OCc2ccccn2)cc1 ZINC000097148459 183087769 /nfs/dbraw/zinc/08/77/69/183087769.db2.gz FHUQUMKODZBOIR-UHFFFAOYSA-N 0 0 245.278 2.032 50 0 BEAARN OCCc1c[nH]c2cccc(Br)c12 ZINC000014984941 183100102 /nfs/dbraw/zinc/10/01/02/183100102.db2.gz UQTDRZYOUJTQQB-UHFFFAOYSA-N 0 0 240.100 2.465 50 0 BEAARN OCCn1c2ccccc2nc1C(F)(F)F ZINC000000179694 183101881 /nfs/dbraw/zinc/10/18/81/183101881.db2.gz YJDGCKQTFGITHQ-UHFFFAOYSA-N 0 0 230.189 2.047 50 0 BEAARN CCCC[C@H]1CCC[C@@H]1NC(=O)COC ZINC000068710555 169014155 /nfs/dbraw/zinc/01/41/55/169014155.db2.gz OUJYZIBTFZBTPL-QWRGUYRKSA-N 0 0 213.321 2.108 50 0 BEAARN CCCCn1c(C)c(C)c2c3ncnn3cnc21 ZINC000013624733 169034012 /nfs/dbraw/zinc/03/40/12/169034012.db2.gz MGUZCUYSBQVCPB-UHFFFAOYSA-N 0 0 243.314 2.496 50 0 BEAARN CCCCn1cc(Br)c(N)n1 ZINC000020313643 169035331 /nfs/dbraw/zinc/03/53/31/169035331.db2.gz DSBZWNSFWWYQSP-UHFFFAOYSA-N 0 0 218.098 2.028 50 0 BEAARN CCCCN1C(=S)N=NC1c1ccncc1 ZINC000002485046 169035591 /nfs/dbraw/zinc/03/55/91/169035591.db2.gz MYLSYJGFLVMXDW-UHFFFAOYSA-N 0 0 234.328 2.429 50 0 BEAARN OC[C@H]1CCCN1c1ccnc2ccsc21 ZINC000089884868 183152026 /nfs/dbraw/zinc/15/20/26/183152026.db2.gz WAFUDTXEQIGKAA-SECBINFHSA-N 0 0 234.324 2.257 50 0 BEAARN CCCCn1nccc1Br ZINC000095094200 169039183 /nfs/dbraw/zinc/03/91/83/169039183.db2.gz MMMPCOYSIXYEEG-UHFFFAOYSA-N 0 0 203.083 2.446 50 0 BEAARN OCc1c(F)cccc1Br ZINC000054962360 183160274 /nfs/dbraw/zinc/16/02/74/183160274.db2.gz HHGJENWYHVFPSA-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN OCc1cc(-c2ccccc2Cl)on1 ZINC000001394129 183160575 /nfs/dbraw/zinc/16/05/75/183160575.db2.gz UDPYKKBQLZVOPM-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN OCc1c(Cl)ncnc1NCc1ccccc1 ZINC000029753730 183160844 /nfs/dbraw/zinc/16/08/44/183160844.db2.gz DENHNSFYHHBDHX-UHFFFAOYSA-N 0 0 249.701 2.234 50 0 BEAARN OCc1cc(-c2ccc(F)cc2)ccn1 ZINC000091696077 183160969 /nfs/dbraw/zinc/16/09/69/183160969.db2.gz SYKZNWBZDTZPIM-UHFFFAOYSA-N 0 0 203.216 2.380 50 0 BEAARN OCc1cc2ccccc2nc1N1CCCC1 ZINC000020467926 183161985 /nfs/dbraw/zinc/16/19/85/183161985.db2.gz BEUDWSOJEAWRAH-UHFFFAOYSA-N 0 0 228.295 2.327 50 0 BEAARN OCc1cc(Cl)c(Br)cc1O ZINC000036075276 183162032 /nfs/dbraw/zinc/16/20/32/183162032.db2.gz HDKKKPSFLVOGRQ-UHFFFAOYSA-N 0 0 237.480 2.300 50 0 BEAARN OCc1cccc(F)c1Br ZINC000054962359 183167622 /nfs/dbraw/zinc/16/76/22/183167622.db2.gz WGBLBANWTOEASN-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN ON1[C@@H]2CCCC[C@@H]2N(O)[C@H]1c1ccccc1 ZINC000239306113 183171440 /nfs/dbraw/zinc/17/14/40/183171440.db2.gz GLCYWTAXMAFMTK-ITGUQSILSA-N 0 0 234.299 2.392 50 0 BEAARN O[C@@H](C(F)(F)F)C(Cl)(Cl)Cl ZINC000025624934 183172440 /nfs/dbraw/zinc/17/24/40/183172440.db2.gz KGVSGVLCBJUWPS-PVQJCKRUSA-N 0 0 217.401 2.280 50 0 BEAARN O[C@@H]1CCC[C@H]1Nc1cccc(C(F)(F)F)n1 ZINC000097104630 183196392 /nfs/dbraw/zinc/19/63/92/183196392.db2.gz FTIWTPOIIIKYGM-HTQZYQBOSA-N 0 0 246.232 2.426 50 0 BEAARN O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000008324319 183185782 /nfs/dbraw/zinc/18/57/82/183185782.db2.gz QBFYQMMKZRQMBH-VIFPVBQESA-N 0 0 234.173 2.054 50 0 BEAARN O[C@@H](c1nc2ccccc2o1)C(F)(F)F ZINC000008393162 183187080 /nfs/dbraw/zinc/18/70/80/183187080.db2.gz OHOLEPTWLPQYIS-ZETCQYMHSA-N 0 0 217.146 2.424 50 0 BEAARN O[C@H](C(F)(F)F)C(Cl)(Cl)Cl ZINC000004765153 183217640 /nfs/dbraw/zinc/21/76/40/183217640.db2.gz KGVSGVLCBJUWPS-SFOWXEAESA-N 0 0 217.401 2.280 50 0 BEAARN O[C@H](Cn1cc(Cl)cn1)C1CCCCC1 ZINC000191359347 183228263 /nfs/dbraw/zinc/22/82/63/183228263.db2.gz DASXBEMUHZZXOL-LLVKDONJSA-N 0 0 228.723 2.478 50 0 BEAARN O[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000008324320 183229531 /nfs/dbraw/zinc/22/95/31/183229531.db2.gz QBFYQMMKZRQMBH-SECBINFHSA-N 0 0 234.173 2.054 50 0 BEAARN O[C@@H]1Cc2ccccc2[C@H]1Sc1ncccn1 ZINC000005776549 183213894 /nfs/dbraw/zinc/21/38/94/183213894.db2.gz RXDRIZZIYOZLNK-VXGBXAGGSA-N 0 0 244.319 2.227 50 0 BEAARN CCC[N@H+](CC(=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000083662685 169099290 /nfs/dbraw/zinc/09/92/90/169099290.db2.gz HJQQZBLRSBBBIR-AWEZNQCLSA-N 0 0 247.338 2.341 50 0 BEAARN O=c1c2c([nH]c3cc(-c4ccco4)nn31)CCC2 ZINC000100519151 183254957 /nfs/dbraw/zinc/25/49/57/183254957.db2.gz DEUUKPMDNZKDQK-UHFFFAOYSA-N 0 0 241.250 2.184 50 0 BEAARN Oc1ccc(OCc2cccnc2)cc1 ZINC000036379523 183277512 /nfs/dbraw/zinc/27/75/12/183277512.db2.gz OVPLGULDVNFMPS-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN O=c1cc(C(F)(F)F)nc(-c2cccnc2)[nH]1 ZINC000015986877 183256869 /nfs/dbraw/zinc/25/68/69/183256869.db2.gz AXOWDDVEWIYBFK-UHFFFAOYSA-N 0 0 241.172 2.263 50 0 BEAARN CCCN(CCC)C(=O)[C@H](C)n1cccn1 ZINC000097130889 169144816 /nfs/dbraw/zinc/14/48/16/169144816.db2.gz ONDVGPSVBATTTP-NSHDSACASA-N 0 0 223.320 2.093 50 0 BEAARN Oc1cccc2c1O[C@H](F)C(F)(F)O2 ZINC000040449680 183296791 /nfs/dbraw/zinc/29/67/91/183296791.db2.gz BRVNUIMJAUJHTK-ZETCQYMHSA-N 0 0 206.119 2.052 50 0 BEAARN S=c1[nH]ccn1Cc1ccc2c(c1)OCO2 ZINC000026422959 183314993 /nfs/dbraw/zinc/31/49/93/183314993.db2.gz IMWXIXGERSIQHM-UHFFFAOYSA-N 0 0 234.280 2.323 50 0 BEAARN CCCN1c2cc(N)ccc2OCC(C)(C)C1=O ZINC000034936225 169184056 /nfs/dbraw/zinc/18/40/56/169184056.db2.gz PKILWPMXPHSQBW-UHFFFAOYSA-N 0 0 248.326 2.430 50 0 BEAARN CCCN1C(=O)NC2(CCCCCC2)C1=O ZINC000009448629 169184286 /nfs/dbraw/zinc/18/42/86/169184286.db2.gz JYYPOZWDLDFORR-UHFFFAOYSA-N 0 0 224.304 2.041 50 0 BEAARN CCCN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000008316082 169184632 /nfs/dbraw/zinc/18/46/32/169184632.db2.gz FRWXWUYPHVCLLQ-CQSZACIVSA-N 0 0 246.310 2.172 50 0 BEAARN c1cc(-c2nc([C@H]3CCOC3)no2)n(C2CC2)c1 ZINC000096165524 183332406 /nfs/dbraw/zinc/33/24/06/183332406.db2.gz XLWBAWJSJSIQGU-VIFPVBQESA-N 0 0 245.282 2.377 50 0 BEAARN O=c1ncc2ccc(-c3ccccc3)n2[nH]1 ZINC000091691613 183309610 /nfs/dbraw/zinc/30/96/10/183309610.db2.gz FRBNBMUFXLIODE-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN S=C(Nc1ccccc1)N1CCSCC1 ZINC000000282179 183311065 /nfs/dbraw/zinc/31/10/65/183311065.db2.gz PCUGGIIUXSDCEJ-UHFFFAOYSA-N 0 0 238.381 2.432 50 0 BEAARN S=C(NCCc1ccccc1)N1CCCC1 ZINC000000374057 183311301 /nfs/dbraw/zinc/31/13/01/183311301.db2.gz NRVHVSGGSGHTET-UHFFFAOYSA-N 0 0 234.368 2.199 50 0 BEAARN S=C(NCc1ccccc1)N1CCCC1 ZINC000000316145 183311324 /nfs/dbraw/zinc/31/13/24/183311324.db2.gz UYHFHEZVLKIKBM-UHFFFAOYSA-N 0 0 220.341 2.157 50 0 BEAARN S=C(NC1CC1)N(Cc1ccco1)C1CC1 ZINC000009482014 183311723 /nfs/dbraw/zinc/31/17/23/183311723.db2.gz ILSSCKSDQURENN-UHFFFAOYSA-N 0 0 236.340 2.281 50 0 BEAARN S=C(c1ccccc1Cl)N1CCOCC1 ZINC000001704215 183312285 /nfs/dbraw/zinc/31/22/85/183312285.db2.gz PAZJESSUUNQYHH-UHFFFAOYSA-N 0 0 241.743 2.348 50 0 BEAARN S=C(Nc1cccnc1)Nc1ccccn1 ZINC000003133774 183312554 /nfs/dbraw/zinc/31/25/54/183312554.db2.gz KNNWFBBYKVPNPG-UHFFFAOYSA-N 0 0 230.296 2.286 50 0 BEAARN c1cc(CN2CCOC3(CCCC3)C2)ccn1 ZINC000089884955 183343554 /nfs/dbraw/zinc/34/35/54/183343554.db2.gz QZNJOXOWYPPUJG-UHFFFAOYSA-N 0 0 232.327 2.227 50 0 BEAARN CCCNC(=O)CSC1CCCC1 ZINC000069322141 169232050 /nfs/dbraw/zinc/23/20/50/169232050.db2.gz GETNZZZZBUKXBA-UHFFFAOYSA-N 0 0 201.335 2.188 50 0 BEAARN CCCN1CN(C2CCCCC2)CNC1=S ZINC000020171384 169209961 /nfs/dbraw/zinc/20/99/61/169209961.db2.gz FMEGXORUZHHNME-UHFFFAOYSA-N 0 0 241.404 2.136 50 0 BEAARN CCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000016985136 169213356 /nfs/dbraw/zinc/21/33/56/169213356.db2.gz CYLQDKAHYYLKEA-UHFFFAOYSA-N 0 0 247.338 2.261 50 0 BEAARN c1cc(Cc2nnc(C3CC3)[nH]2)cs1 ZINC000041057581 183355562 /nfs/dbraw/zinc/35/55/62/183355562.db2.gz PMQABGGYDZWHSS-UHFFFAOYSA-N 0 0 205.286 2.334 50 0 BEAARN CCCNC(=O)CCOc1cccc(F)c1 ZINC000045169864 169218153 /nfs/dbraw/zinc/21/81/53/169218153.db2.gz KCFVQDFQDVXUIN-UHFFFAOYSA-N 0 0 225.263 2.121 50 0 BEAARN CCCNC(=O)CCc1ccc(OC)cc1 ZINC000005468546 169218257 /nfs/dbraw/zinc/21/82/57/169218257.db2.gz PSLJJBDJBLSIJZ-UHFFFAOYSA-N 0 0 221.300 2.154 50 0 BEAARN c1cn(-c2cccc(OC[C@@H]3CCOC3)c2)cn1 ZINC000078990678 183358115 /nfs/dbraw/zinc/35/81/15/183358115.db2.gz VCNARCVJXBFPKL-GFCCVEGCSA-N 0 0 244.294 2.288 50 0 BEAARN CCCNC(=O)c1cn(-c2ccccc2)cn1 ZINC000226754161 169253701 /nfs/dbraw/zinc/25/37/01/169253701.db2.gz FAMNJEUJPLTLCC-UHFFFAOYSA-N 0 0 229.283 2.012 50 0 BEAARN CCCNC(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000043023808 169235371 /nfs/dbraw/zinc/23/53/71/169235371.db2.gz ZUMYSEJOHASQTN-JTQLQIEISA-N 0 0 237.303 2.240 50 0 BEAARN CCCNC(=O)N1CCc2ccccc21 ZINC000002532763 169235543 /nfs/dbraw/zinc/23/55/43/169235543.db2.gz KBQIQTNTQUABON-UHFFFAOYSA-N 0 0 204.273 2.169 50 0 BEAARN CCCNC(=O)N[C@@H]1CCc2ccccc21 ZINC000012897023 169238571 /nfs/dbraw/zinc/23/85/71/169238571.db2.gz YBDQHCQSUONJNH-GFCCVEGCSA-N 0 0 218.300 2.383 50 0 BEAARN CCCNC(=O)Nc1c(F)cccc1F ZINC000043468017 169239402 /nfs/dbraw/zinc/23/94/02/169239402.db2.gz XQFWVDOVVPSHHF-UHFFFAOYSA-N 0 0 214.215 2.496 50 0 BEAARN CCCNC(=O)Nc1cc(OC)cc(OC)c1 ZINC000006725387 169239660 /nfs/dbraw/zinc/23/96/60/169239660.db2.gz IKMUCCMSGSVGRP-UHFFFAOYSA-N 0 0 238.287 2.235 50 0 BEAARN c1cc2c(ccnc2NC[C@@H]2CCCO2)o1 ZINC000089884771 183378052 /nfs/dbraw/zinc/37/80/52/183378052.db2.gz LLKHHOJUTPJQFH-VIFPVBQESA-N 0 0 218.256 2.419 50 0 BEAARN c1nc(-c2cc(-c3ccccc3)on2)no1 ZINC000001245981 183378385 /nfs/dbraw/zinc/37/83/85/183378385.db2.gz ILWPOMUBLRCWPB-UHFFFAOYSA-N 0 0 213.196 2.392 50 0 BEAARN c1cc(-c2ccccc2)oc1CNc1nn[nH]n1 ZINC000004943008 183380017 /nfs/dbraw/zinc/38/00/17/183380017.db2.gz AYYNYIZMWAVIFD-UHFFFAOYSA-N 0 0 241.254 2.072 50 0 BEAARN CCCNC(=O)[C@H](C)Sc1ccccn1 ZINC000032774308 169247259 /nfs/dbraw/zinc/24/72/59/169247259.db2.gz RCZNMQZWFGFFLV-VIFPVBQESA-N 0 0 224.329 2.088 50 0 BEAARN c1ccc(-c2noc(C3CCOCC3)n2)nc1 ZINC000109496002 183384895 /nfs/dbraw/zinc/38/48/95/183384895.db2.gz VHVBBHNXAYYHFR-UHFFFAOYSA-N 0 0 231.255 2.026 50 0 BEAARN c1cnn(Cc2ccn(-c3ccccc3)n2)c1 ZINC000089857630 183385959 /nfs/dbraw/zinc/38/59/59/183385959.db2.gz VQRFLRALYPKATA-UHFFFAOYSA-N 0 0 224.267 2.117 50 0 BEAARN CCCNC(=O)c1cc2ccsc2[nH]1 ZINC000032906144 169251018 /nfs/dbraw/zinc/25/10/18/169251018.db2.gz JZYDYMZUDCMMRB-UHFFFAOYSA-N 0 0 208.286 2.369 50 0 BEAARN CCCNC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000002827258 169252330 /nfs/dbraw/zinc/25/23/30/169252330.db2.gz AKNDUBJXXCXVEA-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN CCCNC(=O)c1ccccc1NC(=O)CC ZINC000042048672 169252808 /nfs/dbraw/zinc/25/28/08/169252808.db2.gz LEOJIGDYHRLLNP-UHFFFAOYSA-N 0 0 234.299 2.175 50 0 BEAARN c1nc2c(ncnc2SCc2ccccn2)[nH]1 ZINC000001677267 183408745 /nfs/dbraw/zinc/40/87/45/183408745.db2.gz IMNOEUFZITUSSY-UHFFFAOYSA-N 0 0 243.295 2.040 50 0 BEAARN CCCOC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000065661223 169299941 /nfs/dbraw/zinc/29/99/41/169299941.db2.gz VDXAMWKKUIJGCR-CYBMUJFWSA-N 0 0 244.294 2.426 50 0 BEAARN CCCNc1nc2ccccc2n2cnnc12 ZINC000006802911 169296785 /nfs/dbraw/zinc/29/67/85/169296785.db2.gz ROITXSCWXRONHN-UHFFFAOYSA-N 0 0 227.271 2.099 50 0 BEAARN CCCNc1nnc(SCC)s1 ZINC000057863049 169297216 /nfs/dbraw/zinc/29/72/16/169297216.db2.gz PJHHVMAQUDMNID-UHFFFAOYSA-N 0 0 203.336 2.472 50 0 BEAARN CCCSc1nnnn1-c1cccc(C)c1 ZINC000002618878 169342205 /nfs/dbraw/zinc/34/22/05/169342205.db2.gz JPWWPMFMLNLVGI-UHFFFAOYSA-N 0 0 234.328 2.473 50 0 BEAARN CCC[C@@H](C(=O)N1CC[C@@H](CCO)C1)C(C)C ZINC000095979547 169344318 /nfs/dbraw/zinc/34/43/18/169344318.db2.gz IBKNEGULTHTECG-QWHCGFSZSA-N 0 0 241.375 2.290 50 0 BEAARN CCCOc1ccccc1[C@H](N)C(=O)OCC ZINC000022204482 169328095 /nfs/dbraw/zinc/32/80/95/169328095.db2.gz GMLKYGMJVDFHKI-LBPRGKRZSA-N 0 0 237.299 2.038 50 0 BEAARN CCCS(=O)(=O)Nc1ccc(OCC)cc1 ZINC000008195539 169333785 /nfs/dbraw/zinc/33/37/85/169333785.db2.gz YTYUCOXGFHCYOR-UHFFFAOYSA-N 0 0 243.328 2.237 50 0 BEAARN CCCSCC(=O)N1CCC[C@@H](C)C1 ZINC000048370916 169335927 /nfs/dbraw/zinc/33/59/27/169335927.db2.gz NFWBZRGPAHSZFJ-SNVBAGLBSA-N 0 0 215.362 2.388 50 0 BEAARN CCC[C@@H](C(=O)Nc1nc[nH]n1)c1ccccc1 ZINC000023143427 169346101 /nfs/dbraw/zinc/34/61/01/169346101.db2.gz FRIAFDDZWMXNLU-LLVKDONJSA-N 0 0 244.298 2.327 50 0 BEAARN CCC[C@@H](C)C(=O)Nc1ccc(OC)nc1 ZINC000049909417 169353133 /nfs/dbraw/zinc/35/31/33/169353133.db2.gz VAQFFWKXCSKGGB-SECBINFHSA-N 0 0 222.288 2.465 50 0 BEAARN CCC[C@@H](C)NS(=O)(=O)c1cccc(F)c1 ZINC000072542559 169370654 /nfs/dbraw/zinc/37/06/54/169370654.db2.gz AMDHVJNMNHPYTP-SECBINFHSA-N 0 0 245.319 2.293 50 0 BEAARN CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000225462289 169373310 /nfs/dbraw/zinc/37/33/10/169373310.db2.gz WCRQUMHXPMAXSS-MNOVXSKESA-N 0 0 213.321 2.362 50 0 BEAARN CCC[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000000456365 169474109 /nfs/dbraw/zinc/47/41/09/169474109.db2.gz ZUMVJVOSFRPLKR-VIFPVBQESA-N 0 0 234.299 2.160 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](O)C2)C1 ZINC000238790028 166653004 /nfs/dbraw/zinc/65/30/04/166653004.db2.gz MUMPVHCQFGQIKY-GXFFZTMASA-N 0 0 241.331 2.158 50 0 BEAARN CC(C)(C)OC(=O)NC1CCC(=O)CC1 ZINC000001433125 166660048 /nfs/dbraw/zinc/66/00/48/166660048.db2.gz WYVFPGFWUKBXPZ-UHFFFAOYSA-N 0 0 213.277 2.023 50 0 BEAARN CCOC(=O)c1cnc2cccc(OC)c2c1 ZINC000059870819 1172583715 /nfs/dbraw/zinc/58/37/15/1172583715.db2.gz XONDRXDQBKBWSB-UHFFFAOYSA-N 0 0 231.251 2.420 50 0 BEAARN CCCc1c(C)nc2[nH]c3ccccc3n2c1=O ZINC000001297400 169560671 /nfs/dbraw/zinc/56/06/71/169560671.db2.gz QBAVWUUGTOWNEB-UHFFFAOYSA-N 0 0 241.294 2.437 50 0 BEAARN CCCn1cc(N[C@H](C)CCn2cccn2)cn1 ZINC000095996932 169620582 /nfs/dbraw/zinc/62/05/82/169620582.db2.gz HCVYYQJDGUVGGY-GFCCVEGCSA-N 0 0 247.346 2.380 50 0 BEAARN CCN(C(=O)c1ccnn1C)c1ccccc1 ZINC000000995867 169660006 /nfs/dbraw/zinc/66/00/06/169660006.db2.gz BGDYHXUZBOINMQ-UHFFFAOYSA-N 0 0 229.283 2.087 50 0 BEAARN CCN(C(=O)c1ncccc1C)C1CCOCC1 ZINC000223662816 169662731 /nfs/dbraw/zinc/66/27/31/169662731.db2.gz DHAWCJIFUJPTGT-UHFFFAOYSA-N 0 0 248.326 2.031 50 0 BEAARN O=C(Nc1nncs1)c1ccc(Cl)cc1 ZINC000000051965 383819122 /nfs/dbraw/zinc/81/91/22/383819122.db2.gz YBADEBGCUDYUSK-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=CNc1ncc(-c2nc3ccccc3[nH]2)s1 ZINC000000034294 383819855 /nfs/dbraw/zinc/81/98/55/383819855.db2.gz LVFLFDMBNXLKCY-UHFFFAOYSA-N 0 0 244.279 2.255 50 0 BEAARN O=C(Nc1nccs1)c1ccccc1 ZINC000000039994 383819915 /nfs/dbraw/zinc/81/99/15/383819915.db2.gz SCQBDADQAVXTMZ-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 in-vivo BEAARN CC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O ZINC000000069974 383821979 /nfs/dbraw/zinc/82/19/79/383821979.db2.gz ZHNUBTVEXMINJU-UHFFFAOYSA-N 0 0 232.235 2.318 50 0 biogenic BEAARN O=C(/C=C/c1ccccc1)NCc1ccccn1 ZINC000000068096 383822201 /nfs/dbraw/zinc/82/22/01/383822201.db2.gz ALUSNWUJBBQZDH-MDZDMXLPSA-N 0 0 238.290 2.411 50 0 BEAARN Cc1cc(C)c(Nc2[nH]c(=O)nnc2C)c(C)c1 ZINC000000114354 383828079 /nfs/dbraw/zinc/82/80/79/383828079.db2.gz YSPHDXODWMEBOP-UHFFFAOYSA-N 0 0 244.298 2.142 50 0 BEAARN Nc1snnc1-c1ccc(Cl)cc1 ZINC000000161898 383836323 /nfs/dbraw/zinc/83/63/23/383836323.db2.gz CWWWFWUOEYNACY-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Cn1nccc1-c1cc(Cl)ccc1O ZINC000066055053 383844034 /nfs/dbraw/zinc/84/40/34/383844034.db2.gz ITYOFLWVECCKGF-UHFFFAOYSA-N 0 0 208.648 2.446 50 0 BEAARN CC(C)(C)OC(=O)N1Cc2cccc(CO)c2C1 ZINC000066055075 383844209 /nfs/dbraw/zinc/84/42/09/383844209.db2.gz IJGSOTXYAMVQSV-UHFFFAOYSA-N 0 0 249.310 2.430 50 0 BEAARN COC(=O)c1c2cc[nH]c2ncc1C(F)(F)F ZINC000066054338 383845417 /nfs/dbraw/zinc/84/54/17/383845417.db2.gz YPPUPUYHVWZLJX-UHFFFAOYSA-N 0 0 244.172 2.368 50 0 BEAARN Cc1noc(-c2cccc(NC(=O)C3CC3)c2)n1 ZINC000035229492 383846337 /nfs/dbraw/zinc/84/63/37/383846337.db2.gz XUCYAZOVVVYVGG-UHFFFAOYSA-N 0 0 243.266 2.394 50 0 BEAARN O=S(=O)(Cc1ccccc1)Nc1ccccn1 ZINC000000304148 383852950 /nfs/dbraw/zinc/85/29/50/383852950.db2.gz IDBKRNNBSRKHRA-UHFFFAOYSA-N 0 0 248.307 2.024 50 0 BEAARN CCN(CC)c1ccc2c(C=O)cc(=O)oc2c1 ZINC000000321077 383854228 /nfs/dbraw/zinc/85/42/28/383854228.db2.gz OEDBHOAJDADPMY-UHFFFAOYSA-N 0 0 245.278 2.452 50 0 BEAARN COC[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000000349972 383856515 /nfs/dbraw/zinc/85/65/15/383856515.db2.gz FWZKURXXZGJPNB-MRVPVSSYSA-N 0 0 227.691 2.105 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC000066338911 383857945 /nfs/dbraw/zinc/85/79/45/383857945.db2.gz SGPWUVURFSJYQO-VHSXEESVSA-N 0 0 239.315 2.223 50 0 BEAARN COC(=O)c1[nH]cc(-c2ccccc2F)c1N ZINC000035462734 383858759 /nfs/dbraw/zinc/85/87/59/383858759.db2.gz GWTUPBOJWRLEIN-UHFFFAOYSA-N 0 0 234.230 2.190 50 0 BEAARN Cc1ccnc(NC(=O)c2cccc(N)c2)c1 ZINC000000362327 383859500 /nfs/dbraw/zinc/85/95/00/383859500.db2.gz BYCBOQDGYKGCIT-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN CCn1ccc(C(=O)Nc2ccccc2F)n1 ZINC000000371828 383860217 /nfs/dbraw/zinc/86/02/17/383860217.db2.gz BUTWKENUBRDBFK-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN CCC[C@H](C)C(=O)NCc1cccnc1 ZINC000000373359 383860297 /nfs/dbraw/zinc/86/02/97/383860297.db2.gz CCQOVHJFNXRNBE-JTQLQIEISA-N 0 0 206.289 2.134 50 0 BEAARN FC1(F)CNCC[C@@H]1OCc1ccccc1 ZINC000066351304 383861773 /nfs/dbraw/zinc/86/17/73/383861773.db2.gz OBLKTQVTONDPQK-NSHDSACASA-N 0 0 227.254 2.200 50 0 BEAARN Cc1nnc2sc(-c3ccccc3F)nn12 ZINC000000385104 383862111 /nfs/dbraw/zinc/86/21/11/383862111.db2.gz HKDTUPUDRMUQHY-UHFFFAOYSA-N 0 0 234.259 2.300 50 0 BEAARN COC(=O)c1cc2ccccc2cc1O ZINC000000388414 383862117 /nfs/dbraw/zinc/86/21/17/383862117.db2.gz YVVBECLPRBAATK-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN C[C@@H]1CC(=O)CCN1C(=O)OCc1ccccc1 ZINC000066347148 383862244 /nfs/dbraw/zinc/86/22/44/383862244.db2.gz NKUKIRSAMUEXPP-LLVKDONJSA-N 0 0 247.294 2.377 50 0 BEAARN COc1ccc(CNc2ncccn2)cc1 ZINC000000393732 383863411 /nfs/dbraw/zinc/86/34/11/383863411.db2.gz UCAOGWCFIZYXNE-UHFFFAOYSA-N 0 0 215.256 2.097 50 0 BEAARN CCN(CCO)C(=O)Nc1ccc(Cl)cc1 ZINC000000395384 383864452 /nfs/dbraw/zinc/86/44/52/383864452.db2.gz MTJGIZBPCJFYRH-UHFFFAOYSA-N 0 0 242.706 2.186 50 0 BEAARN Cc1n[nH]cc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000087782134 383864709 /nfs/dbraw/zinc/86/47/09/383864709.db2.gz PXLOMUMDRSEITK-PWSUYJOCSA-N 0 0 233.315 2.123 50 0 BEAARN O=CN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000000173765 383866658 /nfs/dbraw/zinc/86/66/58/383866658.db2.gz VQXQVNSYZQRVQB-LBPRGKRZSA-N 0 0 214.268 2.291 50 0 BEAARN CCC[C@@H]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000000442759 383868467 /nfs/dbraw/zinc/86/84/67/383868467.db2.gz GRAQHIIJRKEFBF-SSDOTTSWSA-N 0 0 238.356 2.334 50 0 aggregator BEAARN Cc1ccc(C(=O)Nc2cccnc2)o1 ZINC000000442635 383869582 /nfs/dbraw/zinc/86/95/82/383869582.db2.gz PYKZRINGZXTEMN-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CCC[C@H](C)NS(=O)(=O)c1cccs1 ZINC000000611327 383877748 /nfs/dbraw/zinc/87/77/48/383877748.db2.gz MJAFVJNGXSIHLG-QMMMGPOBSA-N 0 0 233.358 2.215 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(F)cc2)no1 ZINC000000122715 383830671 /nfs/dbraw/zinc/83/06/71/383830671.db2.gz LDLQPURBLPQXDJ-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1ccnc(NC(=O)Nc2ccccc2)n1 ZINC000000130533 383830764 /nfs/dbraw/zinc/83/07/64/383830764.db2.gz NZCZCUNRNKLQSI-UHFFFAOYSA-N 0 0 228.255 2.429 50 0 BEAARN Cc1ccc2c(c1)c(-c1cc[nH]n1)nn2C ZINC000067676599 383934711 /nfs/dbraw/zinc/93/47/11/383934711.db2.gz GBRRAFNJICHXSI-UHFFFAOYSA-N 0 0 212.256 2.272 50 0 BEAARN O=[P@]1(Nc2ccccn2)COc2ccccc21 ZINC000100213193 383935316 /nfs/dbraw/zinc/93/53/16/383935316.db2.gz OIBTWZDHYIKOCR-QGZVFWFLSA-N 0 0 246.206 2.447 50 0 BEAARN Cc1ccc(C)c(CSCCC(N)=O)c1 ZINC000071887354 383895775 /nfs/dbraw/zinc/89/57/75/383895775.db2.gz AROYHYFVUIFSIT-UHFFFAOYSA-N 0 0 223.341 2.412 50 0 BEAARN Cc1noc(OCc2ccc(Cl)nc2)n1 ZINC000071886161 383897197 /nfs/dbraw/zinc/89/71/97/383897197.db2.gz YUHYWZSLBPJNMC-UHFFFAOYSA-N 0 0 225.635 2.005 50 0 BEAARN CCc1ccc(NC(=S)NC(C)=O)cc1 ZINC000001480403 383902174 /nfs/dbraw/zinc/90/21/74/383902174.db2.gz RMOFGFCHLJYULO-UHFFFAOYSA-N 0 0 222.313 2.082 50 0 BEAARN O=Cc1cn2c3ccccc3sc2n1 ZINC000001503357 383903187 /nfs/dbraw/zinc/90/31/87/383903187.db2.gz AYWXAXVILRRBCO-UHFFFAOYSA-N 0 0 202.238 2.362 50 0 BEAARN COC(=O)c1cc2ccc(Cl)nc2[nH]1 ZINC000036532804 383903119 /nfs/dbraw/zinc/90/31/19/383903119.db2.gz ZJVSMPDCALHZOG-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CC[C@H](C)[C@H](NCc1ccccc1)C(=O)OC ZINC000002583979 383981376 /nfs/dbraw/zinc/98/13/76/383981376.db2.gz PTFWBRJIWLYMTF-AAEUAGOBSA-N 0 0 235.327 2.364 50 0 BEAARN COC(=O)c1ccc(Br)s1 ZINC000002801132 383985358 /nfs/dbraw/zinc/98/53/58/383985358.db2.gz QLWUHAQCKDHUNL-UHFFFAOYSA-N 0 0 221.075 2.297 50 0 BEAARN O=C(c1ccccn1)N1CCC[C@H]2CCC[C@@H]21 ZINC000089878935 384002454 /nfs/dbraw/zinc/00/24/54/384002454.db2.gz CUHFTDHMAGGXSP-YPMHNXCESA-N 0 0 230.311 2.486 50 0 BEAARN CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000037621101 383991828 /nfs/dbraw/zinc/99/18/28/383991828.db2.gz BGSUQVLWKNOKQB-SMDDNHRTSA-N 0 0 234.343 2.381 50 0 BEAARN O=C([C@@H]1CCCOC1)N1CCc2ccc(F)cc21 ZINC000089807214 383996942 /nfs/dbraw/zinc/99/69/42/383996942.db2.gz SMTDIDDYBROVFC-LLVKDONJSA-N 0 0 249.285 2.141 50 0 BEAARN O=C(/C=C/c1cccs1)N1CCCC1 ZINC000003174453 383999596 /nfs/dbraw/zinc/99/95/96/383999596.db2.gz SAQRFTXEEJESMY-AATRIKPKSA-N 0 0 207.298 2.384 50 0 BEAARN Cc1n[nH]c(C)c1-c1ccccc1CO ZINC000067758942 383944126 /nfs/dbraw/zinc/94/41/26/383944126.db2.gz KRHRKAMQPIKITM-UHFFFAOYSA-N 0 0 202.257 2.186 50 0 BEAARN Fc1cccc(-n2cnnc2C2CCOCC2)c1 ZINC000067851439 383952011 /nfs/dbraw/zinc/95/20/11/383952011.db2.gz VUCRVNLGWAOQSH-UHFFFAOYSA-N 0 0 247.273 2.300 50 0 BEAARN COC(=O)c1cccc(OC(F)(F)F)c1 ZINC000002390054 383962019 /nfs/dbraw/zinc/96/20/19/383962019.db2.gz YWSQRIKZJLRGPT-UHFFFAOYSA-N 0 0 220.146 2.372 50 0 in-vitro BEAARN CC(C)(C)OC(=O)Nc1ncccc1C=O ZINC000002506156 383967737 /nfs/dbraw/zinc/96/77/37/383967737.db2.gz UYMKXJBJFXPXMB-UHFFFAOYSA-N 0 0 222.244 2.241 50 0 BEAARN CC(=O)c1cccc(I)c1 ZINC000002528050 383971211 /nfs/dbraw/zinc/97/12/11/383971211.db2.gz IWLHOUBDKCKJJQ-UHFFFAOYSA-N 0 0 246.047 2.494 50 0 BEAARN COC(=O)c1ccc(C(=O)OC)c2ccccc12 ZINC000002525150 383971801 /nfs/dbraw/zinc/97/18/01/383971801.db2.gz OCSXMIBZIHMVCP-UHFFFAOYSA-N 0 0 244.246 2.413 50 0 BEAARN O=C(/C=C/c1ccccc1)Nc1ncccn1 ZINC000000243347 383974562 /nfs/dbraw/zinc/97/45/62/383974562.db2.gz CQXHRJBWOYRCJL-BQYQJAHWSA-N 0 0 225.251 2.129 50 0 BEAARN Cc1[nH]ccc1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000089536726 383977166 /nfs/dbraw/zinc/97/71/66/383977166.db2.gz NTFGQJHSPLRJOX-PHIMTYICSA-N 0 0 218.300 2.051 50 0 BEAARN CO[C@@H]1CCC12CCN(C(=O)c1ccoc1)CC2 ZINC000257182398 384024299 /nfs/dbraw/zinc/02/42/99/384024299.db2.gz PDMVGZNDNKRVNW-GFCCVEGCSA-N 0 0 249.310 2.311 50 0 BEAARN O=C([O-])C1CC[NH+](Cc2ccccc2F)CC1 ZINC000003747660 384024890 /nfs/dbraw/zinc/02/48/90/384024890.db2.gz AXIKZGILESDOKQ-UHFFFAOYSA-N 0 0 237.274 2.122 50 0 BEAARN O=C(c1ccon1)N1CCC2(C1)CCCCC2 ZINC000089885160 384003486 /nfs/dbraw/zinc/00/34/86/384003486.db2.gz OJQZDFTWYRHZMR-UHFFFAOYSA-N 0 0 234.299 2.471 50 0 BEAARN CSCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000034862829 384006538 /nfs/dbraw/zinc/00/65/38/384006538.db2.gz AMQFZOPFHJQGLB-IVZWLZJFSA-N 0 0 215.362 2.290 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccon1 ZINC000089922475 384009698 /nfs/dbraw/zinc/00/96/98/384009698.db2.gz ZCAVDMUAONDKEQ-SCVCMEIPSA-N 0 0 234.299 2.468 50 0 BEAARN CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000004290216 384053774 /nfs/dbraw/zinc/05/37/74/384053774.db2.gz FLUUWBSOLRFAKL-UHFFFAOYSA-N 0 0 224.203 2.109 50 0 BEAARN Nc1nnc(/C=C/c2ccccc2)s1 ZINC000004299038 384053560 /nfs/dbraw/zinc/05/35/60/384053560.db2.gz MFAWSDUTTXHYTR-VOTSOKGWSA-N 0 0 203.270 2.291 50 0 BEAARN Cc1cc(C(=O)N(C)C)ccc1Br ZINC000114704599 384050285 /nfs/dbraw/zinc/05/02/85/384050285.db2.gz WFCWVKYWFMORLD-UHFFFAOYSA-N 0 0 242.116 2.459 50 0 BEAARN Cc1ccc(Cn2ccsc2=N)cc1 ZINC000003887051 384030809 /nfs/dbraw/zinc/03/08/09/384030809.db2.gz YCPVAEMHSPQPNP-UHFFFAOYSA-N 0 0 204.298 2.386 50 0 BEAARN Cc1nnsc1[S@@](=O)c1ccc(F)cc1 ZINC000004001976 384035871 /nfs/dbraw/zinc/03/58/71/384035871.db2.gz KJZUNWIICPIHED-OAHLLOKOSA-N 0 0 242.300 2.152 50 0 BEAARN CS(=O)(=O)Cc1ccc(Cl)cc1F ZINC000004290606 384053010 /nfs/dbraw/zinc/05/30/10/384053010.db2.gz VPLQKEAAUMOTPK-UHFFFAOYSA-N 0 0 222.668 2.024 50 0 BEAARN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1ccc2ccccc2c1 ZINC000069272050 384039645 /nfs/dbraw/zinc/03/96/45/384039645.db2.gz FXFJYUXPFQIPNN-KGLIPLIRSA-N 0 0 241.290 2.227 50 0 BEAARN C[C@@H](O)CC[NH2+]Cc1ccc(Cl)s1 ZINC000078780533 384083513 /nfs/dbraw/zinc/08/35/13/384083513.db2.gz OTJOAVGLNFRQRC-SSDOTTSWSA-N 0 0 219.737 2.262 50 0 BEAARN CC(C)(C)OC(=O)Nc1cc(=O)cc[nH]1 ZINC000115457659 384084371 /nfs/dbraw/zinc/08/43/71/384084371.db2.gz UXEXGQQHRWHRRM-UHFFFAOYSA-N 0 0 210.233 2.134 50 0 BEAARN O=C(c1cccc(Cl)n1)C(F)(F)F ZINC000091356137 384086838 /nfs/dbraw/zinc/08/68/38/384086838.db2.gz QERWSIMZVTWIGA-UHFFFAOYSA-N 0 0 209.554 2.480 50 0 BEAARN COC(=O)c1ccc(OCc2ccno2)cc1 ZINC000004342672 384058019 /nfs/dbraw/zinc/05/80/19/384058019.db2.gz SQGSBLYYIHZFGH-UHFFFAOYSA-N 0 0 233.223 2.040 50 0 BEAARN CCOC[C@@H](O)COc1c(C)cccc1Cl ZINC000225570810 384073503 /nfs/dbraw/zinc/07/35/03/384073503.db2.gz DWBDNHVZFATHNV-SNVBAGLBSA-N 0 0 244.718 2.425 50 0 BEAARN COC(=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000038254684 384078235 /nfs/dbraw/zinc/07/82/35/384078235.db2.gz LRHOYBJCPJPNSG-UHFFFAOYSA-N 0 0 232.157 2.218 50 0 BEAARN CN(Cc1ccccc1)C(=O)Cn1cccc1 ZINC000005055418 384098688 /nfs/dbraw/zinc/09/86/88/384098688.db2.gz FIYUHOZUMOXTCD-UHFFFAOYSA-N 0 0 228.295 2.147 50 0 BEAARN CC[C@@H](CCCO)NC(=O)OC(C)(C)C ZINC000039093975 384101400 /nfs/dbraw/zinc/10/14/00/384101400.db2.gz WXDNHTNXWAXWGI-VIFPVBQESA-N 0 0 217.309 2.062 50 0 BEAARN Clc1cccc(OCCn2ccnn2)c1 ZINC000128033797 384104526 /nfs/dbraw/zinc/10/45/26/384104526.db2.gz RYOXTYOXDCPIHR-UHFFFAOYSA-N 0 0 223.663 2.011 50 0 BEAARN Cc1cc(C)cc(OCCCn2ccnn2)c1 ZINC000128083087 384152046 /nfs/dbraw/zinc/15/20/46/384152046.db2.gz NENXEELIVXQUPA-UHFFFAOYSA-N 0 0 231.299 2.364 50 0 BEAARN CNc1cc(C)c(Br)cn1 ZINC000040456702 384153905 /nfs/dbraw/zinc/15/39/05/384153905.db2.gz DRIWBIDASVEIBC-UHFFFAOYSA-N 0 0 201.067 2.194 50 0 BEAARN COc1cc(Br)c(C)cc1N ZINC000040571453 384158170 /nfs/dbraw/zinc/15/81/70/384158170.db2.gz ZTHYXILAJCTZTG-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN CCCCNC(=O)c1cc2ccccc2[nH]c1=O ZINC000011698183 384143017 /nfs/dbraw/zinc/14/30/17/384143017.db2.gz ITWARRRDCLTOCU-UHFFFAOYSA-N 0 0 244.294 2.058 50 0 BEAARN CCc1ccc(Nc2nc(O)cs2)cc1 ZINC000006134911 384145866 /nfs/dbraw/zinc/14/58/66/384145866.db2.gz JKRDDHFKLXVHGF-UHFFFAOYSA-N 0 0 220.297 2.290 50 0 BEAARN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000002648229 384173939 /nfs/dbraw/zinc/17/39/39/384173939.db2.gz USZIBNHTAPJBLP-QPUJVOFHSA-N 0 0 217.268 2.484 50 0 BEAARN CCOCc1nc(-c2ccc(C)s2)n(C)n1 ZINC000092037637 384159427 /nfs/dbraw/zinc/15/94/27/384159427.db2.gz KGBCKEJSXNKZEG-UHFFFAOYSA-N 0 0 237.328 2.389 50 0 BEAARN c1csc(SCc2nnnn2C2CC2)c1 ZINC000071910003 384160057 /nfs/dbraw/zinc/16/00/57/384160057.db2.gz QBUNUSFEVSONSL-UHFFFAOYSA-N 0 0 238.341 2.362 50 0 BEAARN CC(C)(C)[C@H]1CCCN(S(C)(=O)=O)CC1 ZINC000071909489 384160484 /nfs/dbraw/zinc/16/04/84/384160484.db2.gz RIGMOVPGWPEHRH-JTQLQIEISA-N 0 0 233.377 2.094 50 0 BEAARN CC(=O)c1ccc2c(c1)C[C@@H](C)C(=O)N2C ZINC000000383275 384161991 /nfs/dbraw/zinc/16/19/91/384161991.db2.gz FJXQXDFDOBGEKQ-MRVPVSSYSA-N 0 0 217.268 2.044 50 0 BEAARN Nc1ccc(C[C@@H]2COc3ccccc3C2)nc1 ZINC000092080522 384162594 /nfs/dbraw/zinc/16/25/94/384162594.db2.gz GLENTLCQMCPIBN-LLVKDONJSA-N 0 0 240.306 2.458 50 0 BEAARN O=Cc1cccc(OCc2cccnc2)c1 ZINC000006678458 384162726 /nfs/dbraw/zinc/16/27/26/384162726.db2.gz MCKRWTOQWYZAKE-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN Cn1nccc1C(=O)NCc1cccc(Cl)c1 ZINC000006699741 384163345 /nfs/dbraw/zinc/16/33/45/384163345.db2.gz LLNCTKSDZYBQRT-UHFFFAOYSA-N 0 0 249.701 2.004 50 0 BEAARN Cc1ccn2c(Br)cnc2c1 ZINC000006740901 384165313 /nfs/dbraw/zinc/16/53/13/384165313.db2.gz VLFVKNYEPJOABL-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CC[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000006726460 384166021 /nfs/dbraw/zinc/16/60/21/384166021.db2.gz IUMMHAKYCBGADK-OLZOCXBDSA-N 0 0 233.311 2.433 50 0 BEAARN CC(C)C/C=C/C(=O)Nc1ccccc1C(N)=O ZINC000002543383 384169377 /nfs/dbraw/zinc/16/93/77/384169377.db2.gz VWRDKPKMEXJAMI-WEVVVXLNSA-N 0 0 246.310 2.326 50 0 BEAARN CC(=O)c1cc(Br)ccn1 ZINC000071602726 384171052 /nfs/dbraw/zinc/17/10/52/384171052.db2.gz NVVSJVCWQHRSKT-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN CC(=O)Oc1ccc2ccoc2c1OC(C)=O ZINC000071774262 384177175 /nfs/dbraw/zinc/17/71/75/384177175.db2.gz HUQTVAWEWDMIKF-UHFFFAOYSA-N 0 0 234.207 2.283 50 0 BEAARN CN(Cc1ccncc1)Cc1ccncc1 ZINC000097375326 384178507 /nfs/dbraw/zinc/17/85/07/384178507.db2.gz DXKSOGCQFLBUNZ-UHFFFAOYSA-N 0 0 213.284 2.109 50 0 BEAARN CNc1nc(N2CCCC2)nc2ccccc21 ZINC000041146672 384179875 /nfs/dbraw/zinc/17/98/75/384179875.db2.gz GDHVHZVWGFUDCF-UHFFFAOYSA-N 0 0 228.299 2.272 50 0 BEAARN Fc1ccc(Cl)c(Cn2cncn2)c1 ZINC000166166444 384182044 /nfs/dbraw/zinc/18/20/44/384182044.db2.gz UHBYPKYMEQMOEK-UHFFFAOYSA-N 0 0 211.627 2.119 50 0 BEAARN CN[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000008390493 384201973 /nfs/dbraw/zinc/20/19/73/384201973.db2.gz KZPXLWBEPOVTGV-NSHDSACASA-N 0 0 235.718 2.382 50 0 BEAARN O=c1[nH]c(CCC2CC2)nc2cc(F)ccc21 ZINC000097379568 384187941 /nfs/dbraw/zinc/18/79/41/384187941.db2.gz MNEZEMUAOGITNK-UHFFFAOYSA-N 0 0 232.258 2.405 50 0 BEAARN Nc1nnc(-c2ccc(Br)cc2)o1 ZINC000008655128 384207564 /nfs/dbraw/zinc/20/75/64/384207564.db2.gz UNSGGKLETSYTPE-UHFFFAOYSA-N 0 0 240.060 2.081 50 0 BEAARN COC(=O)c1ccc(C(=O)NC2CCCC2)cc1 ZINC000008082126 384194421 /nfs/dbraw/zinc/19/44/21/384194421.db2.gz IQUHHIBXJLSSFA-UHFFFAOYSA-N 0 0 247.294 2.146 50 0 BEAARN Cc1cnc(C)c(-c2cc(N)nc3[nH]ccc32)n1 ZINC000072162858 384197378 /nfs/dbraw/zinc/19/73/78/384197378.db2.gz KLLLXDUEYWFSNJ-UHFFFAOYSA-N 0 0 239.282 2.219 50 0 BEAARN Cc1cc(C)c(I)c(N)c1 ZINC000072193668 384197706 /nfs/dbraw/zinc/19/77/06/384197706.db2.gz BFJKCILJUAHZBX-UHFFFAOYSA-N 0 0 247.079 2.490 50 0 BEAARN Cc1ccoc1C(=O)N1CC(c2ccccn2)C1 ZINC000072170575 384198753 /nfs/dbraw/zinc/19/87/53/384198753.db2.gz SDKJXSNAIKJHLD-UHFFFAOYSA-N 0 0 242.278 2.223 50 0 BEAARN CCCCCCN1CC[S@@](=O)[C@H](C)[C@@H]1C ZINC000071920950 384199631 /nfs/dbraw/zinc/19/96/31/384199631.db2.gz JLWBFAJMRNRYPI-ZOWXZIJZSA-N 0 0 231.405 2.408 50 0 BEAARN CN(c1ncc(F)cn1)C1CCCCC1 ZINC000269522258 384234145 /nfs/dbraw/zinc/23/41/45/384234145.db2.gz WBUPVPRUUMZADW-UHFFFAOYSA-N 0 0 209.268 2.385 50 0 BEAARN Cc1nnc2sc(-c3ccccc3)nn12 ZINC000009205212 384235686 /nfs/dbraw/zinc/23/56/86/384235686.db2.gz XOASACXAWVDARK-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN O=Cc1cnn(-c2ccccc2Cl)c1 ZINC000008727628 384212887 /nfs/dbraw/zinc/21/28/87/384212887.db2.gz IBBOEWGKMLRFFX-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN O=C([O-])CCSCc1cn2ccccc2n1 ZINC000008754322 384213553 /nfs/dbraw/zinc/21/35/53/384213553.db2.gz QNLRSUZEBNCAPM-UHFFFAOYSA-N 0 0 236.296 2.042 50 0 BEAARN O=Cc1ccc(Cl)nc1Br ZINC000082046739 384216863 /nfs/dbraw/zinc/21/68/63/384216863.db2.gz QJUXOHWVIDELRC-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN CCN(C)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072473534 384222778 /nfs/dbraw/zinc/22/27/78/384222778.db2.gz KTDFIDYQKXSKID-UHFFFAOYSA-N 0 0 249.354 2.482 50 0 BEAARN Cc1ccc(CN2CCC[C@@H]2CF)nc1 ZINC000336596123 384240673 /nfs/dbraw/zinc/24/06/73/384240673.db2.gz OPNFXFHTNOBPDJ-GFCCVEGCSA-N 0 0 208.280 2.324 50 0 BEAARN Cc1nnc2sc(/C=C\c3ccco3)nn12 ZINC000033535911 384224055 /nfs/dbraw/zinc/22/40/55/384224055.db2.gz KMRRVOCAQVOXAW-PLNGDYQASA-N 0 0 232.268 2.258 50 0 BEAARN Cc1ccc(NC(=O)c2ncccn2)c(C)c1 ZINC000072442506 384224361 /nfs/dbraw/zinc/22/43/61/384224361.db2.gz VTWDUYLAEOPRDH-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN CN(Cc1cscn1)Cc1cccc(N)c1 ZINC000042858813 384249677 /nfs/dbraw/zinc/24/96/77/384249677.db2.gz RPJHXFTVSBKUOS-UHFFFAOYSA-N 0 0 233.340 2.357 50 0 BEAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)s1 ZINC000032548577 384252016 /nfs/dbraw/zinc/25/20/16/384252016.db2.gz KUBVQTGUUQATJS-UHFFFAOYSA-N 0 0 233.358 2.133 50 0 BEAARN CC1(C)CC(=O)c2cnc(N3CCCC3)nc2C1 ZINC000009576665 384258236 /nfs/dbraw/zinc/25/82/36/384258236.db2.gz YNXWCQUBGRMTER-UHFFFAOYSA-N 0 0 245.326 2.232 50 0 BEAARN O=C(Nc1nccs1)[C@@H]1Cc2ccccc2O1 ZINC000009884855 384264550 /nfs/dbraw/zinc/26/45/50/384264550.db2.gz ZEYBMCBUKSSQGO-JTQLQIEISA-N 0 0 246.291 2.085 50 0 BEAARN Cc1c[nH]nc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000408515706 384270242 /nfs/dbraw/zinc/27/02/42/384270242.db2.gz DVGXXIYJGSLEMB-UHFFFAOYSA-N 0 0 241.294 2.459 50 0 BEAARN CC(C)CCNS(=O)(=O)Cc1ccccc1 ZINC000000030399 384272339 /nfs/dbraw/zinc/27/23/39/384272339.db2.gz GRFYQKJTTUZNFY-UHFFFAOYSA-N 0 0 241.356 2.152 50 0 BEAARN c1coc(-c2nc(-c3cccnc3)no2)c1 ZINC000000078853 384273456 /nfs/dbraw/zinc/27/34/56/384273456.db2.gz WNMZRKCSRYCUFB-UHFFFAOYSA-N 0 0 213.196 2.392 50 0 BEAARN CC(C)(NC(=O)Nc1ccncc1)C1CC1 ZINC000075490832 384275902 /nfs/dbraw/zinc/27/59/02/384275902.db2.gz VTDWWPUXCULRQQ-UHFFFAOYSA-N 0 0 219.288 2.392 50 0 BEAARN Cc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)o1 ZINC000119160286 384241687 /nfs/dbraw/zinc/24/16/87/384241687.db2.gz UNGUCYBEACYRKC-GJZGRUSLSA-N 0 0 243.306 2.336 50 0 BEAARN COC(=O)c1cc2c(nc(Cl)nc2Cl)[nH]1 ZINC000094568711 384303930 /nfs/dbraw/zinc/30/39/30/384303930.db2.gz YUMMTTBFLHJEMC-UHFFFAOYSA-N 0 0 246.053 2.051 50 0 BEAARN CCCCOC(=O)[C@@H](O)CCc1ccccc1 ZINC000044123303 384314314 /nfs/dbraw/zinc/31/43/14/384314314.db2.gz WQTAINYORFLZGT-ZDUSSCGKSA-N 0 0 236.311 2.323 50 0 BEAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1Cc1ccccc1 ZINC000012408742 384319482 /nfs/dbraw/zinc/31/94/82/384319482.db2.gz KCSZGLKFTDCMAL-STQMWFEESA-N 0 0 243.306 2.362 50 0 BEAARN C[C@H](NC(=O)[C@@H]1CCCO1)c1cccs1 ZINC000043545231 384282381 /nfs/dbraw/zinc/28/23/81/384282381.db2.gz OUGFYXRJLGNINV-IUCAKERBSA-N 0 0 225.313 2.104 50 0 BEAARN O=C1C[C@H](CSc2ccc3c(c2)CCC3)CN1 ZINC000408521904 384282702 /nfs/dbraw/zinc/28/27/02/384282702.db2.gz AGPNJHNGTCISBQ-JTQLQIEISA-N 0 0 247.363 2.404 50 0 BEAARN O=C(N[C@@H]1CCC[C@H](F)C1)c1ccoc1 ZINC000335422355 384284144 /nfs/dbraw/zinc/28/41/44/384284144.db2.gz YTBCEEJPZSVQNH-VHSXEESVSA-N 0 0 211.236 2.290 50 0 BEAARN O=C1N[C@@H](CSc2ccc3c(c2)CCC3)CO1 ZINC000408523249 384287135 /nfs/dbraw/zinc/28/71/35/384287135.db2.gz QOOUJSSMGFINIT-LLVKDONJSA-N 0 0 249.335 2.376 50 0 BEAARN c1cn2cccc(OCC[C@@H]3CCCO3)c2n1 ZINC000408524993 384290372 /nfs/dbraw/zinc/29/03/72/384290372.db2.gz FTAMSHFTXVURIO-NSHDSACASA-N 0 0 232.283 2.282 50 0 BEAARN Cc1ccnc2c1CCC[C@@H]2C(N)=S ZINC000011617016 384292147 /nfs/dbraw/zinc/29/21/47/384292147.db2.gz PWPWEYFVLITGNU-VIFPVBQESA-N 0 0 206.314 2.096 50 0 in-man BEAARN C=CC(=O)N1CCn2c(cc3ccccc32)C1 ZINC000408525894 384292144 /nfs/dbraw/zinc/29/21/44/384292144.db2.gz HVIBUZLGSQDMNT-UHFFFAOYSA-N 0 0 226.279 2.170 50 0 BEAARN O=Cc1cc(Br)cc2c1OCOC2 ZINC000011850998 384298598 /nfs/dbraw/zinc/29/85/98/384298598.db2.gz ABGWMSFGSYCWOA-UHFFFAOYSA-N 0 0 243.056 2.128 50 0 BEAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000012976924 384343393 /nfs/dbraw/zinc/34/33/93/384343393.db2.gz BPMCZRNMJHZQCB-CYBMUJFWSA-N 0 0 247.338 2.148 50 0 BEAARN Cc1cc(C)cc(C(=O)N2CCC[C@H](CO)C2)c1 ZINC000012976926 384343772 /nfs/dbraw/zinc/34/37/72/384343772.db2.gz BPMCZRNMJHZQCB-ZDUSSCGKSA-N 0 0 247.338 2.148 50 0 BEAARN COCCn1c2ccccc2[nH]c1=S ZINC000013143225 384349251 /nfs/dbraw/zinc/34/92/51/384349251.db2.gz GJGGNVTXYUALAR-UHFFFAOYSA-N 0 0 208.286 2.345 50 0 BEAARN CSCc1ncn(-c2ccccc2)n1 ZINC000092260651 384353928 /nfs/dbraw/zinc/35/39/28/384353928.db2.gz LXAWBPQQQWUUGU-UHFFFAOYSA-N 0 0 205.286 2.130 50 0 BEAARN O=Cc1c[nH]c2cc(Br)cnc12 ZINC000044712917 384354576 /nfs/dbraw/zinc/35/45/76/384354576.db2.gz XPKQGXGRZGRNTN-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000013327464 384355360 /nfs/dbraw/zinc/35/53/60/384355360.db2.gz NQAWCQGNPRMSIH-LDYMZIIASA-N 0 0 207.248 2.098 50 0 BEAARN COc1ncc2cc[nH]c2c1Br ZINC000044700014 384355573 /nfs/dbraw/zinc/35/55/73/384355573.db2.gz ZXZUHJRQHVJHJN-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COC(=O)c1c[nH]c2ncc(Cl)cc12 ZINC000044713366 384356084 /nfs/dbraw/zinc/35/60/84/384356084.db2.gz JDGXCXNGYUXAOY-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CC(=O)c1c(F)cncc1Br ZINC000095093370 384363236 /nfs/dbraw/zinc/36/32/36/384363236.db2.gz SBDOOYJADDCOHX-UHFFFAOYSA-N 0 0 218.025 2.186 50 0 BEAARN Cn1cc([C@@H]2CCCN2Cc2cscn2)cn1 ZINC000095349683 384371995 /nfs/dbraw/zinc/37/19/95/384371995.db2.gz BHMVRDZJBUXXHB-LBPRGKRZSA-N 0 0 248.355 2.214 50 0 BEAARN Cc1cnc(C)c(NCCOCC(C)C)n1 ZINC000164867976 384324891 /nfs/dbraw/zinc/32/48/91/384324891.db2.gz IXXHKSGCMCBAIS-UHFFFAOYSA-N 0 0 223.320 2.178 50 0 BEAARN Cc1cc(C(=O)Nc2cccnc2Cl)no1 ZINC000000426273 384325173 /nfs/dbraw/zinc/32/51/73/384325173.db2.gz XAWGRJHOKBLDAU-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN CC(=O)c1cccc(NC=C[N+](=O)[O-])c1 ZINC000100434159 384325336 /nfs/dbraw/zinc/32/53/36/384325336.db2.gz IDPVGRPLYAOJSJ-AATRIKPKSA-N 0 0 206.201 2.049 50 0 BEAARN Nc1ncnc2c(Br)scc21 ZINC000095743391 384393109 /nfs/dbraw/zinc/39/31/09/384393109.db2.gz MDOGJTRGEFQUJM-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN COC(=O)c1cc2ncnc(Cl)c2s1 ZINC000095743265 384393419 /nfs/dbraw/zinc/39/34/19/384393419.db2.gz YJKOKFQZPRAOAB-UHFFFAOYSA-N 0 0 228.660 2.131 50 0 BEAARN COc1cc(Br)nc2c1NCCC2 ZINC000095828825 384399771 /nfs/dbraw/zinc/39/97/71/384399771.db2.gz RVCPVTWTSWNMPV-UHFFFAOYSA-N 0 0 243.104 2.211 50 0 BEAARN Nc1ccc2c(c1)[C@@H](CO)c1ccccc1-2 ZINC000095831108 384401773 /nfs/dbraw/zinc/40/17/73/384401773.db2.gz SYEYUWQQBFAPGD-AWEZNQCLSA-N 0 0 211.264 2.373 50 0 BEAARN Cc1c[nH]c(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000077375338 384406155 /nfs/dbraw/zinc/40/61/55/384406155.db2.gz QHCKILMRUQYQFY-DCAQKATOSA-N 0 0 233.315 2.027 50 0 BEAARN O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000095919631 384407268 /nfs/dbraw/zinc/40/72/68/384407268.db2.gz XBDRUHSCAZBDLY-RYUDHWBXSA-N 0 0 237.274 2.169 50 0 BEAARN Cc1cc(C)cc(C(=O)Nc2ccn(C)n2)c1 ZINC000014903635 384408688 /nfs/dbraw/zinc/40/86/88/384408688.db2.gz AHTXDFRWAVGSCJ-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000095930376 384410551 /nfs/dbraw/zinc/41/05/51/384410551.db2.gz RVZCVBCVYJFUTD-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN O=Cc1c[nH]c2cc(Br)ncc12 ZINC000014986207 384413161 /nfs/dbraw/zinc/41/31/61/384413161.db2.gz VOZAJYPAYFEWCN-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN Cc1ccc(Sc2cc(NN)ncn2)cc1 ZINC000045918592 384415162 /nfs/dbraw/zinc/41/51/62/384415162.db2.gz ACZZCXQTBWOAKZ-UHFFFAOYSA-N 0 0 232.312 2.222 50 0 BEAARN Clc1ccn2nc(Br)nc2c1 ZINC000096029236 384422157 /nfs/dbraw/zinc/42/21/57/384422157.db2.gz NWSBLAVOHHUKHW-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN CC(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000095394132 384375326 /nfs/dbraw/zinc/37/53/26/384375326.db2.gz ZOTMDMYEQFVJQU-LLVKDONJSA-N 0 0 205.301 2.371 50 0 BEAARN CON(C)C(=O)[C@H]1CC=C(Br)CC1 ZINC000095495534 384376706 /nfs/dbraw/zinc/37/67/06/384376706.db2.gz PZVHPLJXKLNFPI-ZETCQYMHSA-N 0 0 248.120 2.085 50 0 BEAARN Cc1ccc(C[C@@H]2CCC[N@@H+]2CCC(=O)[O-])cc1 ZINC000237761238 384376665 /nfs/dbraw/zinc/37/66/65/384376665.db2.gz KEOUCKCDJIBMQL-AWEZNQCLSA-N 0 0 247.338 2.477 50 0 BEAARN CN(CC1(O)CCCC1)c1ccc(Cl)cn1 ZINC000095449490 384377942 /nfs/dbraw/zinc/37/79/42/384377942.db2.gz XHMALCRPFUGBCM-UHFFFAOYSA-N 0 0 240.734 2.476 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccco2)c1 ZINC000032768538 384378132 /nfs/dbraw/zinc/37/81/32/384378132.db2.gz NYZBJWWWRUVDNN-UHFFFAOYSA-N 0 0 246.266 2.083 50 0 BEAARN FC1(F)CCC[C@@H](Nc2ncccn2)C1 ZINC000308857967 384379084 /nfs/dbraw/zinc/37/90/84/384379084.db2.gz UOBYQGXBYDRGQV-MRVPVSSYSA-N 0 0 213.231 2.466 50 0 BEAARN O=C(Nc1nccs1)C(Cl)(Cl)Cl ZINC000095544273 384380240 /nfs/dbraw/zinc/38/02/40/384380240.db2.gz KWVAHFLPHCQYDT-UHFFFAOYSA-N 0 0 245.518 2.452 50 0 BEAARN C[C@H](C(=O)Nc1cnccn1)c1ccccc1F ZINC000097146421 384381997 /nfs/dbraw/zinc/38/19/97/384381997.db2.gz OSZNASUREKGHCM-VIFPVBQESA-N 0 0 245.257 2.358 50 0 BEAARN Clc1nnc2ccc(Br)cn12 ZINC000095627210 384383242 /nfs/dbraw/zinc/38/32/42/384383242.db2.gz PEKLXNPEIBPNKV-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000095644288 384387698 /nfs/dbraw/zinc/38/76/98/384387698.db2.gz ISZLPPFTZXTGHT-OUAUKWLOSA-N 0 0 241.331 2.014 50 0 BEAARN Cc1nc(S[C@H](C)C(=O)c2ccccc2)n[nH]1 ZINC000011710106 384447256 /nfs/dbraw/zinc/44/72/56/384447256.db2.gz IWRDKGMOROSCON-MRVPVSSYSA-N 0 0 247.323 2.477 50 0 BEAARN CCCc1cc(C(=O)N2CCC[C@@H](C)C2)[nH]n1 ZINC000029510526 384450908 /nfs/dbraw/zinc/45/09/08/384450908.db2.gz DKEPYVGACXRFFG-SNVBAGLBSA-N 0 0 235.331 2.234 50 0 BEAARN O=C1NCCC[C@H]1Cc1ccccc1Cl ZINC000096300653 384452423 /nfs/dbraw/zinc/45/24/23/384452423.db2.gz XKDPJVJYJGYBLU-JTQLQIEISA-N 0 0 223.703 2.409 50 0 BEAARN CN(Cc1ccnn1C)c1ncccc1Cl ZINC000359894309 384455810 /nfs/dbraw/zinc/45/58/10/384455810.db2.gz CQOWBFPSSXONTI-UHFFFAOYSA-N 0 0 236.706 2.105 50 0 BEAARN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)COC ZINC000078228062 384435330 /nfs/dbraw/zinc/43/53/30/384435330.db2.gz SHTCUOPJGKLMTR-AWEZNQCLSA-N 0 0 249.354 2.421 50 0 BEAARN COC[C@@H](C)NC(=O)c1c(C)[nH]c2ccccc21 ZINC000032903712 384438162 /nfs/dbraw/zinc/43/81/62/384438162.db2.gz RFFCRQFHNGTBSM-SECBINFHSA-N 0 0 246.310 2.241 50 0 BEAARN CCc1cc(-c2nc([C@H]3CCOC3)no2)ccn1 ZINC000096180441 384440208 /nfs/dbraw/zinc/44/02/08/384440208.db2.gz PFEWSGYBFYNGIJ-JTQLQIEISA-N 0 0 245.282 2.198 50 0 BEAARN Cc1c(O)cccc1-c1nc([C@H]2CCOC2)no1 ZINC000096180530 384440381 /nfs/dbraw/zinc/44/03/81/384440381.db2.gz SHDWRYBOEAZSMF-VIFPVBQESA-N 0 0 246.266 2.255 50 0 BEAARN CN(Cc1ccc(Cl)cc1)[C@@H]1CCOC1=O ZINC000032904950 384443131 /nfs/dbraw/zinc/44/31/31/384443131.db2.gz HFUSRAFRKNEFEU-LLVKDONJSA-N 0 0 239.702 2.087 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)s1 ZINC000016603976 384461270 /nfs/dbraw/zinc/46/12/70/384461270.db2.gz CFKIOTBWINBACY-VHSXEESVSA-N 0 0 239.340 2.354 50 0 BEAARN CC(C)CC[C@@H](C)NC(=O)/C=C/c1ccnn1C ZINC000024463406 384461919 /nfs/dbraw/zinc/46/19/19/384461919.db2.gz TYYKKMKVYCUJTH-ABZNLYFFSA-N 0 0 249.358 2.374 50 0 BEAARN O=C(C1CCC1)N1CCOc2cc(F)ccc21 ZINC000078789774 384465935 /nfs/dbraw/zinc/46/59/35/384465935.db2.gz HFQPCQYTGPFSHZ-UHFFFAOYSA-N 0 0 235.258 2.351 50 0 BEAARN O=C([O-])COc1ccccc1C[NH+]1CCCCC1 ZINC000016941956 384472890 /nfs/dbraw/zinc/47/28/90/384472890.db2.gz XVPDUPMPYCFUQM-UHFFFAOYSA-N 0 0 249.310 2.136 50 0 BEAARN C[C@@H](NC(=O)c1cccnc1)C(C)(C)C ZINC000016957970 384475134 /nfs/dbraw/zinc/47/51/34/384475134.db2.gz UWGJBMHDCRFLHZ-SECBINFHSA-N 0 0 206.289 2.246 50 0 BEAARN Cc1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000079031133 384479340 /nfs/dbraw/zinc/47/93/40/384479340.db2.gz SHUQCUCIHVYJSB-UHFFFAOYSA-N 0 0 237.303 2.011 50 0 BEAARN COc1nccc(Br)c1C ZINC000079058157 384481289 /nfs/dbraw/zinc/48/12/89/384481289.db2.gz MXNUOXFGYYUHJI-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN CCO[C@H](C)C(=O)N(C)C1CCC(C)CC1 ZINC000097293594 384499854 /nfs/dbraw/zinc/49/98/54/384499854.db2.gz XRFOYHRGYOATND-MOENNCHZSA-N 0 0 227.348 2.449 50 0 BEAARN COCOc1ccc(C(=O)c2cccnc2)cc1 ZINC000019087646 384509251 /nfs/dbraw/zinc/50/92/51/384509251.db2.gz PUHRWTMQUQEIEI-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN COCOc1ccccc1C(=O)c1cccnc1 ZINC000019087640 384511028 /nfs/dbraw/zinc/51/10/28/384511028.db2.gz PGDCMZBPSVKHPG-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN O=C(C1=CCCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000098019371 384535689 /nfs/dbraw/zinc/53/56/89/384535689.db2.gz ZOWLLORORZDOLK-STQMWFEESA-N 0 0 235.327 2.267 50 0 BEAARN CN(Cc1ccccc1)c1ncccc1N ZINC000019396109 384519220 /nfs/dbraw/zinc/51/92/20/384519220.db2.gz JUPIBUVTFBCMRW-UHFFFAOYSA-N 0 0 213.284 2.300 50 0 BEAARN O=c1[nH]c(CCC(F)(F)F)nc2ccccc12 ZINC000079913341 384521405 /nfs/dbraw/zinc/52/14/05/384521405.db2.gz WTMBKNOLHUAZRW-UHFFFAOYSA-N 0 0 242.200 2.418 50 0 BEAARN CC(=O)c1ccccc1NC(=O)[C@H]1CCCO1 ZINC000019510441 384524415 /nfs/dbraw/zinc/52/44/15/384524415.db2.gz KGRCJBGGFKEGSU-GFCCVEGCSA-N 0 0 233.267 2.007 50 0 BEAARN C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCOC1 ZINC000098012600 384525917 /nfs/dbraw/zinc/52/59/17/384525917.db2.gz MKOCFTQHXXTDQT-AAEUAGOBSA-N 0 0 245.322 2.391 50 0 BEAARN Cc1ocnc1CNC(=O)NC1CCCCC1 ZINC000092760100 384530195 /nfs/dbraw/zinc/53/01/95/384530195.db2.gz BHVVFKYTIRFKCH-UHFFFAOYSA-N 0 0 237.303 2.115 50 0 BEAARN CC(C)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000095414220 384531366 /nfs/dbraw/zinc/53/13/66/384531366.db2.gz IUPRQNBVWQXJLR-HNNXBMFYSA-N 0 0 247.338 2.417 50 0 BEAARN C[C@@H]1Cc2cc(-c3ccnc(N)n3)ccc2O1 ZINC000049543324 384543689 /nfs/dbraw/zinc/54/36/89/384543689.db2.gz OROTZVGLRXFRRF-MRVPVSSYSA-N 0 0 227.267 2.049 50 0 biogenic BEAARN CC(C)CCOC(=O)[C@H](N)c1ccccc1 ZINC000019898977 384552133 /nfs/dbraw/zinc/55/21/33/384552133.db2.gz OVJJILSKYWXGBM-GFCCVEGCSA-N 0 0 221.300 2.276 50 0 in-man BEAARN CCCc1n[nH]cc1C(=O)N(C)Cc1ccoc1 ZINC000097757797 384553601 /nfs/dbraw/zinc/55/36/01/384553601.db2.gz RVFROSKMXCHSSS-UHFFFAOYSA-N 0 0 247.298 2.227 50 0 BEAARN Nc1nc2ccc(Br)c(F)c2o1 ZINC000097757439 384553828 /nfs/dbraw/zinc/55/38/28/384553828.db2.gz FUYVUNGDSJWSAL-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN CCc1ccccc1OCCCN1CCOCC1 ZINC000019770657 384537700 /nfs/dbraw/zinc/53/77/00/384537700.db2.gz ZWNRWHJPIATFIR-UHFFFAOYSA-N 0 0 249.354 2.350 50 0 BEAARN Nc1nnc(-c2ccc(-c3cc[nH]n3)cc2)s1 ZINC000020235086 384604411 /nfs/dbraw/zinc/60/44/11/384604411.db2.gz UXTGPUKVRLVUBD-UHFFFAOYSA-N 0 0 243.295 2.177 50 0 BEAARN Oc1c[nH]c2ccc(Br)cc12 ZINC000100058128 384612994 /nfs/dbraw/zinc/61/29/94/384612994.db2.gz VGYNCASKYPVXGI-UHFFFAOYSA-N 0 0 212.046 2.057 50 0 BEAARN Cn1nc(N)c2cc(C(F)(F)F)ccc21 ZINC000020357630 384613429 /nfs/dbraw/zinc/61/34/29/384613429.db2.gz IRSFDHYOPSXICW-UHFFFAOYSA-N 0 0 215.178 2.174 50 0 BEAARN Nc1ccc(Sc2ccnc(N)c2)cc1 ZINC000098175316 384595909 /nfs/dbraw/zinc/59/59/09/384595909.db2.gz AZJKNVWNXDTUJC-UHFFFAOYSA-N 0 0 217.297 2.397 50 0 BEAARN O=C([C@@H]1CCCOC1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456266031 384665913 /nfs/dbraw/zinc/66/59/13/384665913.db2.gz CRHSMBGBLSQOFK-MCIONIFRSA-N 0 0 249.354 2.060 50 0 BEAARN COc1c(F)cc(Br)cc1C=O ZINC000082343774 384669155 /nfs/dbraw/zinc/66/91/55/384669155.db2.gz LNAUQTIUKLWHGK-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN CC(C)[C@H]1[C@H](O)CCN1C(=O)OC(C)(C)C ZINC000082348713 384671895 /nfs/dbraw/zinc/67/18/95/384671895.db2.gz JZWRCXLLTHEQOW-ZJUUUORDSA-N 0 0 229.320 2.013 50 0 BEAARN CCc1ccc(O)c(C(=O)Nc2nncs2)c1 ZINC000072055118 384674855 /nfs/dbraw/zinc/67/48/55/384674855.db2.gz YRMCHIREAZCVKP-UHFFFAOYSA-N 0 0 249.295 2.058 50 0 BEAARN C[C@]([NH2+]C1CC1)(C(=O)[O-])C1CCCCC1 ZINC000070953468 384635455 /nfs/dbraw/zinc/63/54/55/384635455.db2.gz AARSWQPCCKWKPZ-GFCCVEGCSA-N 0 0 211.305 2.162 50 0 biogenic BEAARN C[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CCCCC1 ZINC000070953470 384635508 /nfs/dbraw/zinc/63/55/08/384635508.db2.gz AARSWQPCCKWKPZ-LBPRGKRZSA-N 0 0 211.305 2.162 50 0 biogenic BEAARN CC(C)CCN1c2ccccc2[C@H](N)C1=O ZINC000100474253 384643040 /nfs/dbraw/zinc/64/30/40/384643040.db2.gz HVKCLARFLHOYSW-LBPRGKRZSA-N 0 0 218.300 2.079 50 0 BEAARN CS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000082048873 384644673 /nfs/dbraw/zinc/64/46/73/384644673.db2.gz SMDXMKNQGRCNRE-UHFFFAOYSA-N 0 0 247.728 2.353 50 0 BEAARN COC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000050974452 384655518 /nfs/dbraw/zinc/65/55/18/384655518.db2.gz CKDHJOAQICCZPR-QMMMGPOBSA-N 0 0 235.066 2.200 50 0 BEAARN CC(C)(C)n1nnnc1SC1CCCC1 ZINC000060346730 384724886 /nfs/dbraw/zinc/72/48/86/384724886.db2.gz GNIUCXLADCYUCP-UHFFFAOYSA-N 0 0 226.349 2.463 50 0 BEAARN CSC(=O)c1c(C)nn(-c2ccccc2)c1N ZINC000004745241 384691086 /nfs/dbraw/zinc/69/10/86/384691086.db2.gz LIIZEQQAVNNLKE-UHFFFAOYSA-N 0 0 247.323 2.266 50 0 BEAARN O=C([O-])CCC[NH2+]Cc1ccccc1Cl ZINC000021953166 384710322 /nfs/dbraw/zinc/71/03/22/384710322.db2.gz IQTZERJEHVOFSW-UHFFFAOYSA-N 0 0 227.691 2.294 50 0 BEAARN CCC[C@@](C)(O)C(=O)Nc1ccc(O)cc1F ZINC000119568744 384727726 /nfs/dbraw/zinc/72/77/26/384727726.db2.gz NJMCGJDUEMHDLF-GFCCVEGCSA-N 0 0 241.262 2.021 50 0 BEAARN CSC1=NC[C@H](C)[C@@H](O)N1c1ccccc1 ZINC000005358941 384774794 /nfs/dbraw/zinc/77/47/94/384774794.db2.gz JFYHSGINBJLCFM-GXSJLCMTSA-N 0 0 236.340 2.180 50 0 BEAARN O=C1O[C@H](O)c2cccc3cccc1c32 ZINC000005218032 384748101 /nfs/dbraw/zinc/74/81/01/384748101.db2.gz IKHBRFXMNHCNDC-NSHDSACASA-N 0 0 200.193 2.001 50 0 BEAARN Cc1nc(COC(=O)C[C@@H](C)CC(C)C)no1 ZINC000084281366 384761411 /nfs/dbraw/zinc/76/14/11/384761411.db2.gz XJULOTKFAKWCBX-VIFPVBQESA-N 0 0 240.303 2.494 50 0 BEAARN c1cnn(Cc2ccn(C3CCCC3)n2)c1 ZINC000084615298 384762660 /nfs/dbraw/zinc/76/26/60/384762660.db2.gz HBCFONZJDBFYSV-UHFFFAOYSA-N 0 0 216.288 2.243 50 0 BEAARN CCCc1cc(N[C@@H](C)C2CC2)n2ncnc2n1 ZINC000084758977 384766099 /nfs/dbraw/zinc/76/60/99/384766099.db2.gz YIRFOIPMASTBMR-VIFPVBQESA-N 0 0 245.330 2.287 50 0 BEAARN Nc1ccnc(CSc2ccc(F)cc2)n1 ZINC000085100644 384768128 /nfs/dbraw/zinc/76/81/28/384768128.db2.gz UQQQQRKAJVDUQC-UHFFFAOYSA-N 0 0 235.287 2.490 50 0 BEAARN Cn1cncc1CNc1ccc(F)cc1F ZINC000085167734 384768962 /nfs/dbraw/zinc/76/89/62/384768962.db2.gz NMPUPSCFYJWKLA-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN Cc1ccc(C(N)=O)cc1OCC(C)C ZINC000085262548 384769659 /nfs/dbraw/zinc/76/96/59/384769659.db2.gz SBMCVUOCLPZDAA-UHFFFAOYSA-N 0 0 207.273 2.129 50 0 BEAARN Cc1ccc(S(=O)(=O)Cc2cccnc2)cc1 ZINC000012537781 384783896 /nfs/dbraw/zinc/78/38/96/384783896.db2.gz AWOCCKKXKZBJRA-UHFFFAOYSA-N 0 0 247.319 2.364 50 0 BEAARN CCCCNC(=O)CCc1ccc2c(c1)OCO2 ZINC000053665233 384801669 /nfs/dbraw/zinc/80/16/69/384801669.db2.gz YZTRHAZDBBAQAQ-UHFFFAOYSA-N 0 0 249.310 2.264 50 0 BEAARN CSCCCn1cnc2ccccc2c1=O ZINC000071922107 384802637 /nfs/dbraw/zinc/80/26/37/384802637.db2.gz CBIDZJXADRENKZ-UHFFFAOYSA-N 0 0 234.324 2.150 50 0 BEAARN Cc1noc([C@H](C)Nc2ccc3c(c2)OCO3)n1 ZINC000026982040 384890302 /nfs/dbraw/zinc/89/03/02/384890302.db2.gz CFEOYUPFCWDESQ-ZETCQYMHSA-N 0 0 247.254 2.280 50 0 BEAARN CCO[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000126929245 384844712 /nfs/dbraw/zinc/84/47/12/384844712.db2.gz CSQDRZWNEDBLOQ-CHWSQXEVSA-N 0 0 237.343 2.370 50 0 BEAARN CSCCC(=O)Nc1ncc(C)s1 ZINC000025404800 384848664 /nfs/dbraw/zinc/84/86/64/384848664.db2.gz QPHAKIBBVOGHAW-UHFFFAOYSA-N 0 0 216.331 2.143 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)o1 ZINC000023305628 384849529 /nfs/dbraw/zinc/84/95/29/384849529.db2.gz NVWAXOBQFKNDMI-FKTZTGRPSA-N 0 0 207.273 2.421 50 0 BEAARN C[C@H](O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000057522999 384952732 /nfs/dbraw/zinc/95/27/32/384952732.db2.gz KMLRVMPNRXYAPK-YFKPBYRVSA-N 0 0 234.082 2.313 50 0 BEAARN Cc1ccc(C(=O)NCC2CC(F)(F)C2)o1 ZINC000298235475 384890664 /nfs/dbraw/zinc/89/06/64/384890664.db2.gz IBPCSUZWPWCAQB-UHFFFAOYSA-N 0 0 229.226 2.363 50 0 BEAARN c1ccc([C@@H]2OC[C@H]3OC=CC[C@@H]3O2)cc1 ZINC000039284009 384910125 /nfs/dbraw/zinc/91/01/25/384910125.db2.gz ZWTPHMOGEFPPBJ-YNEHKIRRSA-N 0 0 218.252 2.403 50 0 BEAARN O=C(/C=C/c1nc2ccccc2o1)N1CCC1 ZINC000095955951 384917962 /nfs/dbraw/zinc/91/79/62/384917962.db2.gz LBSRDTPJBLNYGV-VOTSOKGWSA-N 0 0 228.251 2.073 50 0 BEAARN O=C(CC1OCCO1)C1CCCCCC1 ZINC000085652295 384961203 /nfs/dbraw/zinc/96/12/03/384961203.db2.gz KOTFJEAHUSZHFJ-UHFFFAOYSA-N 0 0 212.289 2.289 50 0 BEAARN Fc1ccc2c(n[nH]c2-c2ccncc2)n1 ZINC000085210285 384928606 /nfs/dbraw/zinc/92/86/06/384928606.db2.gz LDIZPXORSNKLLJ-UHFFFAOYSA-N 0 0 214.203 2.159 50 0 BEAARN Cc1nc(-c2ccc(Cl)nc2)[nH]c(=O)c1C ZINC000057218761 384931780 /nfs/dbraw/zinc/93/17/80/384931780.db2.gz HFEWMDDRXCGWSG-UHFFFAOYSA-N 0 0 235.674 2.102 50 0 BEAARN Cc1ccc(Nc2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000057330729 384937813 /nfs/dbraw/zinc/93/78/13/384937813.db2.gz KRSOFLIDWQLZKU-UHFFFAOYSA-N 0 0 229.283 2.439 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@H](CO)CC1 ZINC000057354223 384943541 /nfs/dbraw/zinc/94/35/41/384943541.db2.gz CMUYBJHYEACLSY-SNVBAGLBSA-N 0 0 229.320 2.016 50 0 BEAARN c1cn(C[C@@H]2CCCN2Cc2cscn2)cn1 ZINC000188398175 384947634 /nfs/dbraw/zinc/94/76/34/384947634.db2.gz WQYWCXMFVVVZIN-LBPRGKRZSA-N 0 0 248.355 2.004 50 0 BEAARN CON(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000072020508 384973582 /nfs/dbraw/zinc/97/35/82/384973582.db2.gz SANROMNQWCVJIY-UHFFFAOYSA-N 0 0 235.283 2.109 50 0 BEAARN CC(=O)N1N=C(c2ccc[nH]2)C[C@H]1c1ccco1 ZINC000058047268 384978604 /nfs/dbraw/zinc/97/86/04/384978604.db2.gz LRTPOBYXGBZPIY-LBPRGKRZSA-N 0 0 243.266 2.305 50 0 BEAARN Fc1cccc(CCCn2ccnn2)c1 ZINC000128043469 384981436 /nfs/dbraw/zinc/98/14/36/384981436.db2.gz MLCDVOOAEPCOMA-UHFFFAOYSA-N 0 0 205.236 2.050 50 0 BEAARN CCOC[C@@H](O)CSCc1ccccc1 ZINC000002493962 384990885 /nfs/dbraw/zinc/99/08/85/384990885.db2.gz RBZGUOFSMVSKCC-GFCCVEGCSA-N 0 0 226.341 2.317 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC2 ZINC000058278061 384992396 /nfs/dbraw/zinc/99/23/96/384992396.db2.gz JQSSMOCERDXRHM-SNVBAGLBSA-N 0 0 248.326 2.332 50 0 BEAARN Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cnn1C ZINC000058290936 384996579 /nfs/dbraw/zinc/99/65/79/384996579.db2.gz BWOJCSAHYVCLNS-ZWNOBZJWSA-N 0 0 249.358 2.379 50 0 BEAARN Cc1nc(CNc2cccc(F)c2C)no1 ZINC000086212706 384997569 /nfs/dbraw/zinc/99/75/69/384997569.db2.gz OHBXJMBSMYKUFX-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN O=C(CNc1ccccc1)N1CCCCC1 ZINC000058342054 384999480 /nfs/dbraw/zinc/99/94/80/384999480.db2.gz HSBBNLFNMOOMMR-UHFFFAOYSA-N 0 0 218.300 2.111 50 0 BEAARN CCc1ccc(C(=O)CC2OCCO2)cc1 ZINC000085652208 384961271 /nfs/dbraw/zinc/96/12/71/384961271.db2.gz KJKYEGADEFLCTQ-UHFFFAOYSA-N 0 0 220.268 2.195 50 0 BEAARN O=C(CC1OCCO1)CC1CCCCC1 ZINC000085652297 384961763 /nfs/dbraw/zinc/96/17/63/384961763.db2.gz GMJATKLDACSMFP-UHFFFAOYSA-N 0 0 212.289 2.289 50 0 BEAARN CS[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000059352193 385047461 /nfs/dbraw/zinc/04/74/61/385047461.db2.gz JPOMTOWDSQOYHA-SSDOTTSWSA-N 0 0 220.297 2.347 50 0 BEAARN C[S@@](=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000072298061 385056955 /nfs/dbraw/zinc/05/69/55/385056955.db2.gz XDEVNGQAFYMRJU-INIZCTEOSA-N 0 0 239.340 2.409 50 0 BEAARN COC(=O)Cc1coc2c1cccc2OC ZINC000085221633 385057505 /nfs/dbraw/zinc/05/75/05/385057505.db2.gz KFYZUXHQZPYTME-UHFFFAOYSA-N 0 0 220.224 2.157 50 0 BEAARN COc1ccc(Br)c(C=O)c1F ZINC000059863107 385059142 /nfs/dbraw/zinc/05/91/42/385059142.db2.gz OCLRVBOCPPDQHJ-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN CC(C)CCNC(=O)Cc1ccccc1 ZINC000005632826 385045311 /nfs/dbraw/zinc/04/53/11/385045311.db2.gz LPPSJAVNASQREJ-UHFFFAOYSA-N 0 0 205.301 2.391 50 0 BEAARN Nc1cccnc1-n1cnc(Cl)c1Cl ZINC000061714980 385135230 /nfs/dbraw/zinc/13/52/30/385135230.db2.gz DWLPSJGQCYGINQ-UHFFFAOYSA-N 0 0 229.070 2.156 50 0 BEAARN Cc1ccc(C[C@H](C)NC(=O)NC2CC2)s1 ZINC000096415125 385138840 /nfs/dbraw/zinc/13/88/40/385138840.db2.gz NHFTXLAYEQKUJF-QMMMGPOBSA-N 0 0 238.356 2.449 50 0 BEAARN CC(F)(F)C(C)(C)C(=O)Nc1cn[nH]c1 ZINC000336245670 385101087 /nfs/dbraw/zinc/10/10/87/385101087.db2.gz CJSZMEQYKQXOJL-UHFFFAOYSA-N 0 0 217.219 2.030 50 0 BEAARN CO[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccco1 ZINC000206861900 385182142 /nfs/dbraw/zinc/18/21/42/385182142.db2.gz YJEOZLQIUXOPRM-DGCLKSJQSA-N 0 0 249.310 2.440 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000005576697 385188987 /nfs/dbraw/zinc/18/89/87/385188987.db2.gz ANBDXPWKDSKYHR-LDYMZIIASA-N 0 0 233.267 2.068 50 0 BEAARN COC(=O)c1cc(Cl)ccc1OC(C)=O ZINC000044123448 385192838 /nfs/dbraw/zinc/19/28/38/385192838.db2.gz QVNRSJMWGJCOQO-UHFFFAOYSA-N 0 0 228.631 2.052 50 0 BEAARN O=c1[nH]ccc2ccn(Cc3ccccc3)c21 ZINC000062151957 385163553 /nfs/dbraw/zinc/16/35/53/385163553.db2.gz TYUSQBYDXATKFI-UHFFFAOYSA-N 0 0 224.263 2.378 50 0 BEAARN C[C@@]1(CO)CCC[C@@H]1Nc1cccc(F)n1 ZINC000096427227 385164608 /nfs/dbraw/zinc/16/46/08/385164608.db2.gz RILYTQYABVNSCC-CABZTGNLSA-N 0 0 224.279 2.184 50 0 BEAARN CO[C@@H](C)CCOC(=O)c1ncoc1C(C)C ZINC000096442910 385170709 /nfs/dbraw/zinc/17/07/09/385170709.db2.gz ICPSIMAIHCTVED-VIFPVBQESA-N 0 0 241.287 2.380 50 0 BEAARN CSCCOC(=O)c1cccc2c[nH]nc21 ZINC000096443020 385170894 /nfs/dbraw/zinc/17/08/94/385170894.db2.gz BSXVEKOXQQPIHZ-UHFFFAOYSA-N 0 0 236.296 2.083 50 0 BEAARN O=C(NCc1ccc(Cl)cc1)n1ccnc1 ZINC000032628607 385175198 /nfs/dbraw/zinc/17/51/98/385175198.db2.gz VPNJCWHBPDNXKT-UHFFFAOYSA-N 0 0 235.674 2.294 50 0 BEAARN O=C1c2ccncc2C(=O)N1c1ccc(F)cc1 ZINC000000104059 385206085 /nfs/dbraw/zinc/20/60/85/385206085.db2.gz KQMRBLXJJHBUFU-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN CCOCCOC(=O)c1cc2ccccc2n1C ZINC000062532751 385208503 /nfs/dbraw/zinc/20/85/03/385208503.db2.gz OEGIKNNQVLEXKS-UHFFFAOYSA-N 0 0 247.294 2.372 50 0 BEAARN C[C@@H](NC(=O)[C@H](C)O)c1cc2ccccc2s1 ZINC000189603810 385218780 /nfs/dbraw/zinc/21/87/80/385218780.db2.gz FPBSDXAIMCNRSK-BDAKNGLRSA-N 0 0 249.335 2.459 50 0 BEAARN CN(C)c1noc(-c2cncc3ccccc32)n1 ZINC000096487422 385225003 /nfs/dbraw/zinc/22/50/03/385225003.db2.gz QLJIMQHJWFWAJC-UHFFFAOYSA-N 0 0 240.266 2.351 50 0 BEAARN CCc1ccc(NC(=O)[C@@H](C)O)cc1CC ZINC000096492566 385230961 /nfs/dbraw/zinc/23/09/61/385230961.db2.gz CEBLXWWUQBZLKW-SECBINFHSA-N 0 0 221.300 2.131 50 0 BEAARN O=C(c1cc2ccccn2c1)N1CCCCO1 ZINC000189638334 385235650 /nfs/dbraw/zinc/23/56/50/385235650.db2.gz WCNBJCAGTAFEDC-UHFFFAOYSA-N 0 0 230.267 2.107 50 0 BEAARN CCCn1cc(CNc2cc(C)on2)cn1 ZINC000096495317 385235885 /nfs/dbraw/zinc/23/58/85/385235885.db2.gz RHOHFJXYBYAZFN-UHFFFAOYSA-N 0 0 220.276 2.202 50 0 BEAARN CCOCCn1nc(C2CC2)nc1C1CC1 ZINC000096501121 385237959 /nfs/dbraw/zinc/23/79/59/385237959.db2.gz XHOXJFWIAPKEFD-UHFFFAOYSA-N 0 0 221.304 2.069 50 0 BEAARN Cc1ccc(C)c(Nc2nc(C)cc(=O)[nH]2)c1 ZINC000005625958 385238433 /nfs/dbraw/zinc/23/84/33/385238433.db2.gz ZRTLWHWITUXSGL-UHFFFAOYSA-N 0 0 229.283 2.439 50 0 BEAARN Cc1cnc(Cn2ccnc2-c2ccncc2)o1 ZINC000096501939 385238919 /nfs/dbraw/zinc/23/89/19/385238919.db2.gz QFINGZZHFRHLPD-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN Nc1c(Cl)nccc1Br ZINC000095764069 385239377 /nfs/dbraw/zinc/23/93/77/385239377.db2.gz BKNJTGQNJXCFGC-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN c1c(COc2ccccc2)nc2ncccn12 ZINC000000079718 385253647 /nfs/dbraw/zinc/25/36/47/385253647.db2.gz DYNJOBXXJMOYBG-UHFFFAOYSA-N 0 0 225.251 2.308 50 0 BEAARN Cc1cnn(-c2cccc(C(=O)NC(C)C)c2)c1 ZINC000065395738 385304362 /nfs/dbraw/zinc/30/43/62/385304362.db2.gz GLNKOSJVCROWKS-UHFFFAOYSA-N 0 0 243.310 2.319 50 0 BEAARN COC(=O)c1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000065434380 385309950 /nfs/dbraw/zinc/30/99/50/385309950.db2.gz AJATZUIINVZZPE-UHFFFAOYSA-N 0 0 243.266 2.136 50 0 BEAARN c1coc(COc2ccccc2-n2cnnc2)c1 ZINC000065526943 385321503 /nfs/dbraw/zinc/32/15/03/385321503.db2.gz BPSJWGWELPWTLI-UHFFFAOYSA-N 0 0 241.250 2.439 50 0 BEAARN O=C(CC(F)(F)F)NCc1ccccc1 ZINC000034409042 385277774 /nfs/dbraw/zinc/27/77/74/385277774.db2.gz YIQOKYUDYYVPDM-UHFFFAOYSA-N 0 0 217.190 2.255 50 0 BEAARN COC(=O)c1c(F)c(F)cc(F)c1F ZINC000034406290 385278760 /nfs/dbraw/zinc/27/87/60/385278760.db2.gz UTVICBCTIZYQOA-UHFFFAOYSA-N 0 0 208.110 2.030 50 0 BEAARN COC[C@@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000072311186 385281861 /nfs/dbraw/zinc/28/18/61/385281861.db2.gz BRWYCAFLFBXTQA-SECBINFHSA-N 0 0 234.251 2.207 50 0 BEAARN O=c1cc(-c2ccc(Cl)cc2)nc[nH]1 ZINC000096530913 385287014 /nfs/dbraw/zinc/28/70/14/385287014.db2.gz CWNYBSFKUYMXCM-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000098009143 385350964 /nfs/dbraw/zinc/35/09/64/385350964.db2.gz QKLHITRRUYLHSF-UHFFFAOYSA-N 0 0 241.356 2.380 50 0 BEAARN CS(=O)(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000098013687 385356157 /nfs/dbraw/zinc/35/61/57/385356157.db2.gz OJJCRFNACDVFMR-SNVBAGLBSA-N 0 0 245.731 2.046 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCCSC1 ZINC000098018508 385358370 /nfs/dbraw/zinc/35/83/70/385358370.db2.gz AEVCVARKGWXBSM-MRVPVSSYSA-N 0 0 217.334 2.407 50 0 BEAARN CSc1nsc(NC(=O)C2CC=CC2)n1 ZINC000098019011 385359108 /nfs/dbraw/zinc/35/91/08/385359108.db2.gz QTGJIZWMGXLOKW-UHFFFAOYSA-N 0 0 241.341 2.165 50 0 BEAARN CCc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000015914046 385363600 /nfs/dbraw/zinc/36/36/00/385363600.db2.gz FAAAMOPSEHBJJW-UHFFFAOYSA-N 0 0 242.278 2.190 50 0 BEAARN O=C(/C=C\c1cccnc1)Nc1ccccn1 ZINC000098054446 385391841 /nfs/dbraw/zinc/39/18/41/385391841.db2.gz QILQPJFHMUUJIW-SREVYHEPSA-N 0 0 225.251 2.129 50 0 BEAARN Fc1cccc(N2CCC(F)(F)C2)n1 ZINC000169725404 385418102 /nfs/dbraw/zinc/41/81/02/385418102.db2.gz DKMWGGURXICYDW-UHFFFAOYSA-N 0 0 202.179 2.066 50 0 BEAARN FC1(F)CN(c2cccnc2Br)C1 ZINC000169725559 385418174 /nfs/dbraw/zinc/41/81/74/385418174.db2.gz ZAWPNBBLUVHESB-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN O=Cc1ncccc1OCCC(F)(F)F ZINC000169725611 385418183 /nfs/dbraw/zinc/41/81/83/385418183.db2.gz IKBRMMIAUWRRNM-UHFFFAOYSA-N 0 0 219.162 2.225 50 0 BEAARN Fc1cccc(N2CCC(F)(F)CC2)n1 ZINC000169725400 385418205 /nfs/dbraw/zinc/41/82/05/385418205.db2.gz QDBXACKAEFMEPZ-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN Fc1cccnc1N1CCC(F)(F)CC1 ZINC000169725328 385418614 /nfs/dbraw/zinc/41/86/14/385418614.db2.gz XAFMMPCLYUUNOE-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN COC(=O)c1cc2c(ccc3oc(=O)ccc23)[nH]1 ZINC000000526031 385454545 /nfs/dbraw/zinc/45/45/45/385454545.db2.gz CJJRPHJDGQCFII-UHFFFAOYSA-N 0 0 243.218 2.061 50 0 biogenic BEAARN C[C@H](NC(=O)c1ccc(=O)oc1)c1ccccc1 ZINC000000550149 385495777 /nfs/dbraw/zinc/49/57/77/385495777.db2.gz QUTXSERKGMGPSH-JTQLQIEISA-N 0 0 243.262 2.131 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2cnn(C)c2)cc1 ZINC000002767850 385511288 /nfs/dbraw/zinc/51/12/88/385511288.db2.gz AKHCNSVWGJKROJ-LLVKDONJSA-N 0 0 243.310 2.220 50 0 BEAARN CC[C@@](O)(c1ncc[nH]1)c1ccc(OC)cc1 ZINC000328579394 385489319 /nfs/dbraw/zinc/48/93/19/385489319.db2.gz FJFQMEDIWGWJPF-ZDUSSCGKSA-N 0 0 232.283 2.064 50 0 BEAARN C[C@@H]1CCCN(Cc2nc(CC3CC3)no2)C1 ZINC000012386457 385603942 /nfs/dbraw/zinc/60/39/42/385603942.db2.gz OLVBYLADBYXZPU-SNVBAGLBSA-N 0 0 235.331 2.254 50 0 BEAARN CCCc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000095186652 385616917 /nfs/dbraw/zinc/61/69/17/385616917.db2.gz NJDKWOATCAVSRV-UHFFFAOYSA-N 0 0 202.257 2.118 50 0 BEAARN c1cnc(Nc2ccc3c(c2)OCCCO3)nc1 ZINC000012523150 385610081 /nfs/dbraw/zinc/61/00/81/385610081.db2.gz ITCFKUWBSANREB-UHFFFAOYSA-N 0 0 243.266 2.382 50 0 BEAARN O=C(Nc1ncccn1)c1cccc(Cl)c1 ZINC000000968483 385700218 /nfs/dbraw/zinc/70/02/18/385700218.db2.gz IFHZKVYNLJQXMB-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000116351633 385730814 /nfs/dbraw/zinc/73/08/14/385730814.db2.gz BABIPUDCGCCMRP-JTQLQIEISA-N 0 0 225.313 2.360 50 0 BEAARN CCCCNc1c(=O)c(=O)c1-c1ccccc1 ZINC000006749154 385833124 /nfs/dbraw/zinc/83/31/24/385833124.db2.gz DCDWJYPYUGGVFP-UHFFFAOYSA-N 0 0 229.279 2.162 50 0 BEAARN Nc1nc2cc(OC(F)(F)F)ccc2o1 ZINC000215547586 385845774 /nfs/dbraw/zinc/84/57/74/385845774.db2.gz KOOOWQOQBUXAFS-UHFFFAOYSA-N 0 0 218.134 2.309 50 0 BEAARN Cn1ccnc1CN(Cc1cscn1)C1CC1 ZINC000215688640 385848289 /nfs/dbraw/zinc/84/82/89/385848289.db2.gz GEUZWHOSXWMEIE-UHFFFAOYSA-N 0 0 248.355 2.041 50 0 BEAARN CCOc1cccc2[nH]c(C(=O)OC)c(C=O)c21 ZINC000215665846 385849012 /nfs/dbraw/zinc/84/90/12/385849012.db2.gz OFUINEHVRZYGRA-UHFFFAOYSA-N 0 0 247.250 2.166 50 0 BEAARN Cc1nc(C)c(C(=O)Cn2ccnc2C(C)C)o1 ZINC000272441875 385903912 /nfs/dbraw/zinc/90/39/12/385903912.db2.gz LIZRWVANBGMQMF-UHFFFAOYSA-N 0 0 247.298 2.494 50 0 BEAARN Cc1cc(C(=O)Nc2nc3c(s2)CCC3)on1 ZINC000012422402 385907808 /nfs/dbraw/zinc/90/78/08/385907808.db2.gz GYAYJWOKONJQAQ-UHFFFAOYSA-N 0 0 249.295 2.181 50 0 BEAARN Cc1cc(C)c2c(c1)C[N@@H+](CCC(=O)[O-])CC2 ZINC000263035967 385918858 /nfs/dbraw/zinc/91/88/58/385918858.db2.gz VFCNTVPIDAYUSC-UHFFFAOYSA-N 0 0 233.311 2.136 50 0 BEAARN CC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000055455529 385924702 /nfs/dbraw/zinc/92/47/02/385924702.db2.gz SXBBVWNXKYVJMR-SNVBAGLBSA-N 0 0 225.675 2.300 50 0 BEAARN Cc1ccncc1NC(=O)c1cc(F)c[nH]1 ZINC000334975723 385878673 /nfs/dbraw/zinc/87/86/73/385878673.db2.gz HGMGQBHCDZPMQA-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN Fc1cccc2ncc(Br)n21 ZINC000221289218 385985241 /nfs/dbraw/zinc/98/52/41/385985241.db2.gz SFPXYASSBWQZCS-UHFFFAOYSA-N 0 0 215.025 2.236 50 0 BEAARN CCc1cccc(Oc2cnc(=O)[nH]c2)c1 ZINC000025980474 386074518 /nfs/dbraw/zinc/07/45/18/386074518.db2.gz XFORPDNDLRAYSA-UHFFFAOYSA-N 0 0 216.240 2.125 50 0 BEAARN CC(C)CCN(C)C(=O)c1ccccc1N ZINC000037839795 386099782 /nfs/dbraw/zinc/09/97/82/386099782.db2.gz QHUYMASSIPSTTI-UHFFFAOYSA-N 0 0 220.316 2.387 50 0 BEAARN CC(C)(C)OC(=O)NCCOCC1CCC1 ZINC000263619754 386154288 /nfs/dbraw/zinc/15/42/88/386154288.db2.gz VIVCTCCESSEVSC-UHFFFAOYSA-N 0 0 229.320 2.328 50 0 BEAARN COC(=O)C1(Oc2ccc(F)cc2)CCC1 ZINC000263623992 386157036 /nfs/dbraw/zinc/15/70/36/386157036.db2.gz MLRNTIYGBVKJRU-UHFFFAOYSA-N 0 0 224.231 2.300 50 0 BEAARN Cc1ccc(C(=O)NCCc2ccccc2)n1C ZINC000040012142 386159344 /nfs/dbraw/zinc/15/93/44/386159344.db2.gz OINWNLJNMFQEBB-UHFFFAOYSA-N 0 0 242.322 2.306 50 0 BEAARN CCCCCCC(=O)SCCNC(C)=O ZINC000263625383 386160107 /nfs/dbraw/zinc/16/01/07/386160107.db2.gz ZJRSDNQOCFZKGV-UHFFFAOYSA-N 0 0 231.361 2.353 50 0 BEAARN Cc1nnc(CN(C)CC2CCCCC2)o1 ZINC000044872407 386230200 /nfs/dbraw/zinc/23/02/00/386230200.db2.gz JBNBLJAFFYZGQP-UHFFFAOYSA-N 0 0 223.320 2.390 50 0 BEAARN FC(F)(F)c1cc(Cl)c2nncn2c1 ZINC000001397512 386230447 /nfs/dbraw/zinc/23/04/47/386230447.db2.gz XVQOKOYHCGZDND-UHFFFAOYSA-N 0 0 221.569 2.402 50 0 BEAARN Nc1cncc(Cl)c1Br ZINC000225393146 386191639 /nfs/dbraw/zinc/19/16/39/386191639.db2.gz XUZVZOWANQYHSJ-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Cc1ccc(CC(=O)N2CCCCO2)s1 ZINC000225499190 386197882 /nfs/dbraw/zinc/19/78/82/386197882.db2.gz DHEZBKHRORGZEA-UHFFFAOYSA-N 0 0 225.313 2.153 50 0 BEAARN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)[O-] ZINC000237011105 386344564 /nfs/dbraw/zinc/34/45/64/386344564.db2.gz QZZMQWZZFMQJRD-ZDUSSCGKSA-N 0 0 235.327 2.333 50 0 BEAARN C[C@@]12CCN(Cc3ccon3)C[C@@H]1C2(F)F ZINC000298403990 386338935 /nfs/dbraw/zinc/33/89/35/386338935.db2.gz WTFIFEYYAKSEEF-VHSXEESVSA-N 0 0 228.242 2.152 50 0 BEAARN O=C([O-])C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000238117131 386444494 /nfs/dbraw/zinc/44/44/94/386444494.db2.gz FYFKFKMWIZXSPU-UHFFFAOYSA-N 0 0 233.311 2.373 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000012398738 386433546 /nfs/dbraw/zinc/43/35/46/386433546.db2.gz NACWGDDPPILITO-LBPRGKRZSA-N 0 0 237.274 2.437 50 0 BEAARN O=C1N[C@H](c2ccccc2)C12CCCC2 ZINC000299805320 386491053 /nfs/dbraw/zinc/49/10/53/386491053.db2.gz IYKGEDZPDLIKKC-LLVKDONJSA-N 0 0 201.269 2.418 50 0 BEAARN Cc1nnc2ccc(C(F)(F)F)cn12 ZINC000073647528 386496270 /nfs/dbraw/zinc/49/62/70/386496270.db2.gz AFPARSJWGXPLDN-UHFFFAOYSA-N 0 0 201.151 2.057 50 0 BEAARN O=C1[C@@H]2CCCCN2C(=S)N1c1ccccc1 ZINC000006096748 386506968 /nfs/dbraw/zinc/50/69/68/386506968.db2.gz SUDAWXPSCFXQTB-NSHDSACASA-N 0 0 246.335 2.173 50 0 BEAARN CCN(C(=O)c1cncn1C)c1ccccc1C ZINC000278497166 386535845 /nfs/dbraw/zinc/53/58/45/386535845.db2.gz CDVHWGPICSXHCM-UHFFFAOYSA-N 0 0 243.310 2.395 50 0 BEAARN C[C@H](NC(=O)c1ccoc1)c1nc(C2CC2)no1 ZINC000264569180 386546394 /nfs/dbraw/zinc/54/63/94/386546394.db2.gz CITWYLHAEXINSF-ZETCQYMHSA-N 0 0 247.254 2.031 50 0 BEAARN CC(C)(C)SCCOC(=O)c1cnsn1 ZINC000079037287 386651012 /nfs/dbraw/zinc/65/10/12/386651012.db2.gz ABEYKIFCCNRCLE-UHFFFAOYSA-N 0 0 246.357 2.227 50 0 BEAARN CC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000264315550 386616021 /nfs/dbraw/zinc/61/60/21/386616021.db2.gz UERXIFUAQCAOJP-NSHDSACASA-N 0 0 207.248 2.162 50 0 BEAARN C1=C[C@@H]2C[C@H]1C[C@@H]2CSc1c[nH]nn1 ZINC000521395288 386682300 /nfs/dbraw/zinc/68/23/00/386682300.db2.gz WHKJLVCKCPMSBA-DJLDLDEBSA-N 0 0 207.302 2.109 50 0 BEAARN O=c1c(C(F)(F)F)cccn1CC1CC1 ZINC000268619334 386670110 /nfs/dbraw/zinc/67/01/10/386670110.db2.gz NHQPJHZUKIPOTL-UHFFFAOYSA-N 0 0 217.190 2.277 50 0 BEAARN CC(C)COc1cccc(Cn2ccnn2)c1 ZINC000585119272 386670647 /nfs/dbraw/zinc/67/06/47/386670647.db2.gz ZWOLTOHVOPUROT-UHFFFAOYSA-N 0 0 231.299 2.361 50 0 BEAARN CCCCNC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000003635496 386674435 /nfs/dbraw/zinc/67/44/35/386674435.db2.gz XTLXOIBNXHXNBR-UHFFFAOYSA-N 0 0 244.294 2.267 50 0 in-vivo BEAARN Cn1nncc1CN1c2ccccc2CC1(C)C ZINC000585123524 386679357 /nfs/dbraw/zinc/67/93/57/386679357.db2.gz AWVBOFRRZJZOKN-UHFFFAOYSA-N 0 0 242.326 2.156 50 0 BEAARN CC(C)=C(C)CC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000585131706 386680038 /nfs/dbraw/zinc/68/00/38/386680038.db2.gz DLAOAMGOVBGRAZ-BETUJISGSA-N 0 0 239.359 2.400 50 0 BEAARN O=C(c1ccoc1)N1CC(CC(F)F)C1 ZINC000335486833 386716814 /nfs/dbraw/zinc/71/68/14/386716814.db2.gz BJKCQHNJNSFYJG-UHFFFAOYSA-N 0 0 215.199 2.007 50 0 BEAARN COC(=O)c1c(C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000022126450 386722740 /nfs/dbraw/zinc/72/27/40/386722740.db2.gz ZPKHKJLRECYGOL-UHFFFAOYSA-N 0 0 235.283 2.265 50 0 BEAARN CC(C)CS[C@H](C)C(=O)NC1CC1 ZINC000069050232 386760571 /nfs/dbraw/zinc/76/05/71/386760571.db2.gz HLAYJGUQVPBLBL-MRVPVSSYSA-N 0 0 201.335 2.043 50 0 BEAARN CN(C)c1noc(CCCOc2ccccc2)n1 ZINC000269283250 386774392 /nfs/dbraw/zinc/77/43/92/386774392.db2.gz LLDWDWIRSZLHPJ-UHFFFAOYSA-N 0 0 247.298 2.147 50 0 BEAARN COc1ncccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000032755229 386815849 /nfs/dbraw/zinc/81/58/49/386815849.db2.gz ZJERAJQFPKEIEM-QWRGUYRKSA-N 0 0 248.326 2.208 50 0 BEAARN Cc1n[nH]cc1CN1CCOc2cc(C)ccc21 ZINC000184944516 386828062 /nfs/dbraw/zinc/82/80/62/386828062.db2.gz MXOMCSDOIBSIPK-UHFFFAOYSA-N 0 0 243.310 2.426 50 0 BEAARN Cc1noc(C(C)C)c1C(=O)Nc1ccn(C)n1 ZINC000012901188 386861287 /nfs/dbraw/zinc/86/12/87/386861287.db2.gz DKPLSFXYCDVGCP-UHFFFAOYSA-N 0 0 248.286 2.092 50 0 BEAARN Cc1cc(C(=O)[O-])cc(NCC(F)(F)F)[nH+]1 ZINC000166401252 386900708 /nfs/dbraw/zinc/90/07/08/386900708.db2.gz OGSYSJBFLBYQMW-UHFFFAOYSA-N 0 0 234.177 2.062 50 0 BEAARN COC(=O)c1ccc(-c2ccnc(CO)c2)cc1 ZINC000032498424 386926646 /nfs/dbraw/zinc/92/66/46/386926646.db2.gz IFZCFLVMYLGNAO-UHFFFAOYSA-N 0 0 243.262 2.028 50 0 BEAARN Cc1ccn([C@H](C)CC(=O)Nc2cc(C)on2)n1 ZINC000015733884 386971072 /nfs/dbraw/zinc/97/10/72/386971072.db2.gz PZKFNYCDFJBIAV-SECBINFHSA-N 0 0 248.286 2.078 50 0 BEAARN COC[C@H](C)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000053195953 387008971 /nfs/dbraw/zinc/00/89/71/387008971.db2.gz FEWADIVOGIYACD-VIFPVBQESA-N 0 0 246.314 2.227 50 0 BEAARN COc1ncccc1NC(=O)CC(C)(C)C ZINC000047553892 386993163 /nfs/dbraw/zinc/99/31/63/386993163.db2.gz LLJJMQYMDWFLFV-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN Cc1nc(CN2CCC(CF)CC2)oc1C ZINC000295178399 387003040 /nfs/dbraw/zinc/00/30/40/387003040.db2.gz RHAHLUVPVZXBTI-UHFFFAOYSA-N 0 0 226.295 2.473 50 0 BEAARN Cc1cc(C)c2c(nn3c2[nH]c(C)cc3=S)n1 ZINC000006062849 387027473 /nfs/dbraw/zinc/02/74/73/387027473.db2.gz MSZPDDXWWLDAMC-UHFFFAOYSA-N 0 0 244.323 2.491 50 0 BEAARN CN(CCCCNC(=O)C1CC1)c1ccccc1 ZINC000053210063 387028839 /nfs/dbraw/zinc/02/88/39/387028839.db2.gz QJJJQKKARLBUME-UHFFFAOYSA-N 0 0 246.354 2.429 50 0 BEAARN O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCC1 ZINC000336284949 387118302 /nfs/dbraw/zinc/11/83/02/387118302.db2.gz IKFIGNGXDAOQKO-YPMHNXCESA-N 0 0 219.259 2.104 50 0 BEAARN C[C@H](NC(=O)[C@@H](C)C1CCC1)c1csnn1 ZINC000334016229 387146193 /nfs/dbraw/zinc/14/61/93/387146193.db2.gz ZAEGHAWBYLDEKG-YUMQZZPRSA-N 0 0 239.344 2.152 50 0 BEAARN Cc1cc2c(N)n[nH]c2c(Br)c1 ZINC000238529541 387157041 /nfs/dbraw/zinc/15/70/41/387157041.db2.gz LYJWBAIGVFDFJN-UHFFFAOYSA-N 0 0 226.077 2.216 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1cccs1 ZINC000033000388 387171240 /nfs/dbraw/zinc/17/12/40/387171240.db2.gz KWTJHNWOGRMQMV-WCBMZHEXSA-N 0 0 209.314 2.363 50 0 BEAARN CC(C)c1noc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000089893647 387189813 /nfs/dbraw/zinc/18/98/13/387189813.db2.gz IRMPPCMVYNSYQA-AOOOYVTPSA-N 0 0 221.304 2.429 50 0 BEAARN Cc1cc(CN(C)C(=O)c2ccc(F)cc2)on1 ZINC000064555693 387221119 /nfs/dbraw/zinc/22/11/19/387221119.db2.gz JFELKOFELSKNGA-UHFFFAOYSA-N 0 0 248.257 2.394 50 0 BEAARN CC1(C)CCCC2=C1C[C@H]1C(=O)NC(=O)[C@H]1C2 ZINC000100396607 387268436 /nfs/dbraw/zinc/26/84/36/387268436.db2.gz FCJRBRDWOJFBPA-VHSXEESVSA-N 0 0 233.311 2.176 50 0 biogenic BEAARN CCOC(=O)C1=C(O)[C@H](CC(C)C)CC1 ZINC000043199014 387273650 /nfs/dbraw/zinc/27/36/50/387273650.db2.gz JPMSKNVEMSYIPT-VHSXEESVSA-N 0 0 212.289 2.191 50 0 BEAARN COC(=O)N[C@@]12CCC[C@@]1(OC)CC=CC2 ZINC000071785332 387288696 /nfs/dbraw/zinc/28/86/96/387288696.db2.gz OREFUGZKGUXKEI-RYUDHWBXSA-N 0 0 225.288 2.000 50 0 BEAARN C[C@@H]1CC[C@@]23CC[C@H](O)[C@]2(C)C(=O)C[C@@H]13 ZINC000071786103 387288865 /nfs/dbraw/zinc/28/88/65/387288865.db2.gz AXGFYFAMLSXTQS-XYNYFCMSSA-N 0 0 208.301 2.153 50 0 BEAARN COC(OC)c1cccnc1Br ZINC000103016343 387362679 /nfs/dbraw/zinc/36/26/79/387362679.db2.gz AJDLUSUIIVLQKJ-UHFFFAOYSA-N 0 0 232.077 2.136 50 0 BEAARN CC(C)[C@@H](C(=O)Nc1ncc[nH]1)n1cccc1 ZINC000575443653 387378525 /nfs/dbraw/zinc/37/85/25/387378525.db2.gz ZIWQKHWBSAIZTR-JTQLQIEISA-N 0 0 232.287 2.047 50 0 BEAARN CC(=O)O[C@@H]1C[C@]2(CC=CCC2)CC[C@H]1O ZINC000257356690 387345717 /nfs/dbraw/zinc/34/57/17/387345717.db2.gz JQNRLSUGPVPVAO-UPJWGTAASA-N 0 0 224.300 2.189 50 0 BEAARN Cc1cc(CCNC(=O)c2ccccc2C)on1 ZINC000077122370 387449196 /nfs/dbraw/zinc/44/91/96/387449196.db2.gz DBBYWXGAQNPFNG-UHFFFAOYSA-N 0 0 244.294 2.264 50 0 BEAARN C[C@H](CCO)Nc1ncccc1C(F)(F)F ZINC000077226196 387452011 /nfs/dbraw/zinc/45/20/11/387452011.db2.gz AVWHYQALTJTPDU-SSDOTTSWSA-N 0 0 234.221 2.283 50 0 BEAARN C[C@H](Cc1ccoc1)NC(=O)C1CCC1 ZINC000084835972 387454232 /nfs/dbraw/zinc/45/42/32/387454232.db2.gz OWLBXGGJVQVTAH-SECBINFHSA-N 0 0 207.273 2.127 50 0 BEAARN CN(CC1CCOCC1)C(=O)c1cccs1 ZINC000074915267 387406882 /nfs/dbraw/zinc/40/68/82/387406882.db2.gz WMOSFSVRQNKHNV-UHFFFAOYSA-N 0 0 239.340 2.247 50 0 BEAARN CN(CC1CCOCC1)C(=O)c1ccccc1 ZINC000074915268 387407819 /nfs/dbraw/zinc/40/78/19/387407819.db2.gz FGOHNZGAGDXDOR-UHFFFAOYSA-N 0 0 233.311 2.185 50 0 BEAARN CCNC(=O)NCc1ccc(-c2ccco2)o1 ZINC000575611831 387421973 /nfs/dbraw/zinc/42/19/73/387421973.db2.gz XZCRZCPRQWCWRT-UHFFFAOYSA-N 0 0 234.255 2.359 50 0 BEAARN Cc1cc(C)c(C(=O)NCC2(CO)CC2)c(C)c1 ZINC000049461767 387423014 /nfs/dbraw/zinc/42/30/14/387423014.db2.gz GHKSUCYXOCYUMR-UHFFFAOYSA-N 0 0 247.338 2.114 50 0 BEAARN CO[C@H]1CCC[C@@H](n2nnc3ccccc32)O1 ZINC000005356660 387497783 /nfs/dbraw/zinc/49/77/83/387497783.db2.gz PAKSAYRGTYTQEJ-NWDGAFQWSA-N 0 0 233.271 2.103 50 0 BEAARN Cc1noc(CN(C)c2ccccc2)n1 ZINC000042244468 387508810 /nfs/dbraw/zinc/50/88/10/387508810.db2.gz QZSDGXZJSRBJOF-UHFFFAOYSA-N 0 0 203.245 2.014 50 0 BEAARN CCOc1cccc(C(=O)O[C@H]2CCOC2)c1 ZINC000107016401 387477720 /nfs/dbraw/zinc/47/77/20/387477720.db2.gz LAYXCSOPXLRDIE-LBPRGKRZSA-N 0 0 236.267 2.031 50 0 BEAARN CS[C@@H]1CCC[C@@H]1N(C)Cc1nnc(C)o1 ZINC000110642459 387478252 /nfs/dbraw/zinc/47/82/52/387478252.db2.gz SMEPZXDQTLHTLI-VHSXEESVSA-N 0 0 241.360 2.094 50 0 BEAARN CS[C@@H]1CCC[C@H]1N(C)Cc1nnc(C)o1 ZINC000110642463 387478800 /nfs/dbraw/zinc/47/88/00/387478800.db2.gz SMEPZXDQTLHTLI-NXEZZACHSA-N 0 0 241.360 2.094 50 0 BEAARN C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)[O-])C1 ZINC000237783258 387479646 /nfs/dbraw/zinc/47/96/46/387479646.db2.gz QEQYVPNVQCQDOD-AWEZNQCLSA-N 0 0 233.311 2.125 50 0 BEAARN COCc1noc(C2(c3ccccc3F)CC2)n1 ZINC000089420410 387488627 /nfs/dbraw/zinc/48/86/27/387488627.db2.gz GWSCPFSVLUXSCV-UHFFFAOYSA-N 0 0 248.257 2.435 50 0 BEAARN C[C@H]1CN(Cc2nc3ccccc3o2)[C@@H](C)CO1 ZINC000032804204 387491703 /nfs/dbraw/zinc/49/17/03/387491703.db2.gz CINYJUGTPIFJQO-QWRGUYRKSA-N 0 0 246.310 2.437 50 0 BEAARN CCN1CSC2=N[C@@H]3CCCC[C@H]3N2C1=O ZINC000075271529 387492095 /nfs/dbraw/zinc/49/20/95/387492095.db2.gz FTUBOFQSEYUZOP-RKDXNWHRSA-N 0 0 239.344 2.115 50 0 BEAARN CCCn1ncnc1-c1cccc2c1OCC2 ZINC000426596616 387581539 /nfs/dbraw/zinc/58/15/39/387581539.db2.gz OSDYKBCOGMBMRG-UHFFFAOYSA-N 0 0 229.283 2.290 50 0 BEAARN CCCCNC(=O)c1ccc(-c2cn[nH]c2)o1 ZINC000426634073 387582355 /nfs/dbraw/zinc/58/23/55/387582355.db2.gz VYHRAFSJNFUBOD-UHFFFAOYSA-N 0 0 233.271 2.200 50 0 BEAARN C[C@H](C(=O)N1CCC2(CCCC2)C1)n1ccnc1 ZINC000426634110 387582857 /nfs/dbraw/zinc/58/28/57/387582857.db2.gz XRQSLGXVBBHDLT-GFCCVEGCSA-N 0 0 247.342 2.237 50 0 BEAARN COc1ccc(-c2cn(C)nc2C)c(OC)c1 ZINC000426667540 387584207 /nfs/dbraw/zinc/58/42/07/387584207.db2.gz RDIQTBLAYYRXRG-UHFFFAOYSA-N 0 0 232.283 2.413 50 0 BEAARN CC(=O)c1c(O)nc2c3ccccc3ccn21 ZINC000006668638 387596038 /nfs/dbraw/zinc/59/60/38/387596038.db2.gz AVASCRPTRUPSKH-UHFFFAOYSA-N 0 0 226.235 2.396 50 0 BEAARN c1cn(Cc2cccc3cccnc32)cn1 ZINC000036393557 387555948 /nfs/dbraw/zinc/55/59/48/387555948.db2.gz HJQXHPQNCAZQDT-UHFFFAOYSA-N 0 0 209.252 2.480 50 0 BEAARN CCc1nc(-c2ccc(OC)cc2OC)nn1C ZINC000426372137 387560137 /nfs/dbraw/zinc/56/01/37/387560137.db2.gz AKECKTQQFJFYRC-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN c1cc(-c2ccc(N3CCSCC3)nn2)co1 ZINC000426387618 387562932 /nfs/dbraw/zinc/56/29/32/387562932.db2.gz JIOBCPGNWBUKBH-UHFFFAOYSA-N 0 0 247.323 2.290 50 0 BEAARN CCOc1ncccc1-c1cncc(N(C)C)n1 ZINC000426387342 387562972 /nfs/dbraw/zinc/56/29/72/387562972.db2.gz VYZUZMLTQHATKS-UHFFFAOYSA-N 0 0 244.298 2.003 50 0 BEAARN CC(=O)c1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000426388538 387563066 /nfs/dbraw/zinc/56/30/66/387563066.db2.gz SCXVYJUWUSURLE-UHFFFAOYSA-N 0 0 228.251 2.360 50 0 BEAARN Cc1n[nH]cc1-c1ccc(Cn2ccnc2)cn1 ZINC000426479103 387573031 /nfs/dbraw/zinc/57/30/31/387573031.db2.gz ZGHKVBOPROMRAH-UHFFFAOYSA-N 0 0 239.282 2.025 50 0 BEAARN CCOc1ccnc(-c2ccc(N(C)C)nc2)n1 ZINC000426477826 387574797 /nfs/dbraw/zinc/57/47/97/387574797.db2.gz CETBBSMHQDPIGF-UHFFFAOYSA-N 0 0 244.298 2.003 50 0 BEAARN CCOc1ccc(-c2ccc(N(C)C)nc2)nn1 ZINC000426514660 387578078 /nfs/dbraw/zinc/57/80/78/387578078.db2.gz MXIJRCRJYBXJAT-UHFFFAOYSA-N 0 0 244.298 2.003 50 0 BEAARN Cc1ccn2cc(C(=O)N(C)CC3CC3)nc2c1 ZINC000040555164 387579554 /nfs/dbraw/zinc/57/95/54/387579554.db2.gz UQKUQNXKXZUGLL-UHFFFAOYSA-N 0 0 243.310 2.125 50 0 BEAARN CCc1cccc(NC(=O)N2CCC[C@H](O)C2)c1 ZINC000043333821 387652186 /nfs/dbraw/zinc/65/21/86/387652186.db2.gz AGTXHRWZPHSKJY-ZDUSSCGKSA-N 0 0 248.326 2.238 50 0 BEAARN Cc1cc(C)c2c(N)c(C(N)=S)sc2n1 ZINC000036138884 387744574 /nfs/dbraw/zinc/74/45/74/387744574.db2.gz XQQLJOBYYVUTHU-UHFFFAOYSA-N 0 0 237.353 2.130 50 0 BEAARN Cc1ccc(C(=O)NCCCOC(C)C)o1 ZINC000036396229 387792467 /nfs/dbraw/zinc/79/24/67/387792467.db2.gz CEYUQSZMTGBLKW-UHFFFAOYSA-N 0 0 225.288 2.133 50 0 BEAARN Cc1ccc([C@@H](O)CNC(=O)C2CCCC2)cc1 ZINC000036397311 387795424 /nfs/dbraw/zinc/79/54/24/387795424.db2.gz FKQAKABHILEWAL-AWEZNQCLSA-N 0 0 247.338 2.335 50 0 BEAARN O=C(CC(F)(F)F)NCCc1cccc(F)c1 ZINC000040490344 387796199 /nfs/dbraw/zinc/79/61/99/387796199.db2.gz GJRCDSZCWXWGSO-UHFFFAOYSA-N 0 0 249.207 2.437 50 0 BEAARN Cc1noc(C(=O)N2CCCCC2)c1Cl ZINC000006738123 387847540 /nfs/dbraw/zinc/84/75/40/387847540.db2.gz OSVKGJNIWLSVPH-UHFFFAOYSA-N 0 0 228.679 2.263 50 0 BEAARN CCOC[C@H](C)OC(=O)c1occc1C ZINC000190780180 387871767 /nfs/dbraw/zinc/87/17/67/387871767.db2.gz YGMORADEPXXBPP-VIFPVBQESA-N 0 0 212.245 2.170 50 0 BEAARN CNc1ncnc2sc3c(c21)CCC3 ZINC000008147690 387894810 /nfs/dbraw/zinc/89/48/10/387894810.db2.gz ZHBZHOXONRZJDA-UHFFFAOYSA-N 0 0 205.286 2.222 50 0 BEAARN c1nnc(N2CCc3ccccc3C2)s1 ZINC000267906374 387879290 /nfs/dbraw/zinc/87/92/90/387879290.db2.gz DFYFWCBZAVHJHQ-UHFFFAOYSA-N 0 0 217.297 2.101 50 0 BEAARN Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]2C)cc1CO ZINC000225554283 177866563 /nfs/dbraw/zinc/86/65/63/177866563.db2.gz GEZNZKRWCJUBFC-CABZTGNLSA-N 0 0 233.311 2.390 50 0 BEAARN CC(=O)CC(=O)Nc1ccc(C)c(C)c1 ZINC000003885185 322812409 /nfs/dbraw/zinc/81/24/09/322812409.db2.gz KKSJXJUYTRVZNM-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN Cc1cc(C(=O)NCCc2ccsc2)on1 ZINC000036391222 177787697 /nfs/dbraw/zinc/78/76/97/177787697.db2.gz JCOFOMBLUBHQKJ-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN C[C@H](O)CCN(C)c1ncccc1C(F)(F)F ZINC000084637240 388080335 /nfs/dbraw/zinc/08/03/35/388080335.db2.gz PSVBGICKCXNTAF-QMMMGPOBSA-N 0 0 248.248 2.308 50 0 BEAARN CCc1cccc(C)c1NC(=O)NCCCO ZINC000065564824 388084395 /nfs/dbraw/zinc/08/43/95/388084395.db2.gz UAEBGJCEZYZUQP-UHFFFAOYSA-N 0 0 236.315 2.061 50 0 BEAARN C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000267003335 388094843 /nfs/dbraw/zinc/09/48/43/388094843.db2.gz DYCIXKSKOLWLPX-JSGCOSHPSA-N 0 0 247.338 2.414 50 0 BEAARN Cc1cc(C(=O)NC2CCCCCC2)no1 ZINC000003353140 177775668 /nfs/dbraw/zinc/77/56/68/177775668.db2.gz SHQSSZYEHDQIBL-UHFFFAOYSA-N 0 0 222.288 2.436 50 0 BEAARN CC[C@@H](C)OCC(=O)N1CCSCC[C@H]1C ZINC000170090495 388258131 /nfs/dbraw/zinc/25/81/31/388258131.db2.gz AAHKQOLETJPKNM-GHMZBOCLSA-N 0 0 245.388 2.156 50 0 BEAARN CCOc1ccccc1NC(=O)[C@H]1CC[C@H](O)C1 ZINC000170090643 388258326 /nfs/dbraw/zinc/25/83/26/388258326.db2.gz KDPGSLNDWUTWNG-QWRGUYRKSA-N 0 0 249.310 2.185 50 0 BEAARN Cn1ncc2c1ncnc2Oc1ccccc1F ZINC000014204188 388239271 /nfs/dbraw/zinc/23/92/71/388239271.db2.gz VDYVRVJBSDTSGP-UHFFFAOYSA-N 0 0 244.229 2.295 50 0 BEAARN COC1(CNC(=O)c2cccnc2)CCCCC1 ZINC000170598700 388240062 /nfs/dbraw/zinc/24/00/62/388240062.db2.gz NYWRSMKRCHZMAN-UHFFFAOYSA-N 0 0 248.326 2.161 50 0 BEAARN c1[nH]nc2c1CCC[C@H]2OCc1ccccn1 ZINC000170611134 388247283 /nfs/dbraw/zinc/24/72/83/388247283.db2.gz HXAVTDPCHAEFOQ-GFCCVEGCSA-N 0 0 229.283 2.399 50 0 BEAARN CC[C@@H](CO)NC(=S)Nc1cccc(C)c1 ZINC000007526408 388247671 /nfs/dbraw/zinc/24/76/71/388247671.db2.gz OEYQNLAIZPQLSK-JTQLQIEISA-N 0 0 238.356 2.052 50 0 BEAARN Cc1noc(C)c1CCC(=O)NC1CCCC1 ZINC000007525401 388247785 /nfs/dbraw/zinc/24/77/85/388247785.db2.gz FTTICNANBZARMU-UHFFFAOYSA-N 0 0 236.315 2.283 50 0 BEAARN COC[C@@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC000002739663 388349789 /nfs/dbraw/zinc/34/97/89/388349789.db2.gz FFGVLDYPDMZYRF-NWDGAFQWSA-N 0 0 235.327 2.331 50 0 BEAARN CC(C)(C)CC(=O)NC[C@H]1CCCS1 ZINC000089642991 388356864 /nfs/dbraw/zinc/35/68/64/388356864.db2.gz WBJOONKJWGYQMA-SECBINFHSA-N 0 0 215.362 2.434 50 0 BEAARN Cc1ccc(CCc2nc([C@@H]3CCOC3)no2)o1 ZINC000089652925 388358440 /nfs/dbraw/zinc/35/84/40/388358440.db2.gz CCCUNAHVYUXITP-SNVBAGLBSA-N 0 0 248.282 2.260 50 0 BEAARN Cc1onc(-c2ccccc2F)c1CO ZINC000057494365 388361599 /nfs/dbraw/zinc/36/15/99/388361599.db2.gz OWSBMDKEUMMGNW-UHFFFAOYSA-N 0 0 207.204 2.281 50 0 BEAARN Cn1cc(OCCc2ccc(F)c(F)c2)cn1 ZINC000193520084 388366367 /nfs/dbraw/zinc/36/63/67/388366367.db2.gz HGNJOBZEKMIZRH-UHFFFAOYSA-N 0 0 238.237 2.320 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000089828087 388368117 /nfs/dbraw/zinc/36/81/17/388368117.db2.gz IGNBYRDHFRGTPA-LBPRGKRZSA-N 0 0 219.284 2.298 50 0 BEAARN Cc1cc(C(=O)N(C)CC(F)F)oc1C ZINC000122257687 388370223 /nfs/dbraw/zinc/37/02/23/388370223.db2.gz BIORLFLHMLPFLQ-UHFFFAOYSA-N 0 0 217.215 2.234 50 0 BEAARN CC(C)C[C@@H](C)NC(=O)c1cc(O)cc(O)c1 ZINC000152855256 388371925 /nfs/dbraw/zinc/37/19/25/388371925.db2.gz AKBCVYGAELOFNR-SECBINFHSA-N 0 0 237.299 2.262 50 0 BEAARN O=C1OCC[C@@H]1Sc1ncnc2ccccc21 ZINC000003295065 388371970 /nfs/dbraw/zinc/37/19/70/388371970.db2.gz AUNNEOARXBVGRF-JTQLQIEISA-N 0 0 246.291 2.037 50 0 BEAARN CCCCNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000003294614 388372127 /nfs/dbraw/zinc/37/21/27/388372127.db2.gz KNQPDSFEXAUFFK-UHFFFAOYSA-N 0 0 244.294 2.058 50 0 BEAARN CC(C)CCNS(=O)(=O)c1cccs1 ZINC000003353395 388374921 /nfs/dbraw/zinc/37/49/21/388374921.db2.gz NOEXIRUDKNVCLV-UHFFFAOYSA-N 0 0 233.358 2.073 50 0 BEAARN CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000030827601 388377238 /nfs/dbraw/zinc/37/72/38/388377238.db2.gz WRPXXEDOJUHQKY-UHFFFAOYSA-N 0 0 204.273 2.245 50 0 BEAARN O=C(Nc1nnc(C2CC2)s1)c1ccco1 ZINC000003552743 388382781 /nfs/dbraw/zinc/38/27/81/388382781.db2.gz JHIZJFHSCGTTFR-UHFFFAOYSA-N 0 0 235.268 2.261 50 0 BEAARN CC[C@H](C)n1nc(-c2ccco2)ccc1=O ZINC000038790731 388406071 /nfs/dbraw/zinc/40/60/71/388406071.db2.gz ITMPFQOTJJZQMK-VIFPVBQESA-N 0 0 218.256 2.474 50 0 BEAARN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc[nH]1 ZINC000067333814 388406233 /nfs/dbraw/zinc/40/62/33/388406233.db2.gz LANFVERRUQCIJX-YPMHNXCESA-N 0 0 244.269 2.440 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@H]2C2CCC2)no1 ZINC000102873533 177756566 /nfs/dbraw/zinc/75/65/66/177756566.db2.gz HZKXLFNCQIAVIA-LBPRGKRZSA-N 0 0 234.299 2.388 50 0 BEAARN CNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000008209128 388403023 /nfs/dbraw/zinc/40/30/23/388403023.db2.gz YTULCQJYNHSARK-UHFFFAOYSA-N 0 0 245.307 2.346 50 0 BEAARN Cc1n[nH]cc1CNC(=O)[C@@H](C)c1cccs1 ZINC000170634400 388403316 /nfs/dbraw/zinc/40/33/16/388403316.db2.gz QYUFKBCEZQEMAI-QMMMGPOBSA-N 0 0 249.339 2.200 50 0 BEAARN Cc1nnc(CN(C)[C@H]2CCc3ccccc32)o1 ZINC000042635217 388444998 /nfs/dbraw/zinc/44/49/98/388444998.db2.gz GQKARBBIRIGEHD-ZDUSSCGKSA-N 0 0 243.310 2.497 50 0 BEAARN CN(Cc1cccnc1)C(=O)C1CCCC1 ZINC000032967315 388457090 /nfs/dbraw/zinc/45/70/90/388457090.db2.gz HZFFVXZZFGTRFJ-UHFFFAOYSA-N 0 0 218.300 2.230 50 0 BEAARN O=C([O-])CC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000090694838 388474483 /nfs/dbraw/zinc/47/44/83/388474483.db2.gz FUNOCOFRUROSPL-UHFFFAOYSA-N 0 0 231.295 2.250 50 0 BEAARN COC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000007801434 388475399 /nfs/dbraw/zinc/47/53/99/388475399.db2.gz YRMMRZLPGIMWEW-MWLCHTKSSA-N 0 0 247.294 2.376 50 0 BEAARN C[C@@H](NC(=O)Nc1ccncn1)c1cccs1 ZINC000194087127 388477717 /nfs/dbraw/zinc/47/77/17/388477717.db2.gz LVFHVKOCFQDSMT-MRVPVSSYSA-N 0 0 248.311 2.421 50 0 BEAARN CN(Cc1cccnc1)C(=O)c1ccsc1 ZINC000039976080 388410816 /nfs/dbraw/zinc/41/08/16/388410816.db2.gz HVHXTVQAQNCWCO-UHFFFAOYSA-N 0 0 232.308 2.415 50 0 BEAARN O=C1OCC[C@H]1N1CCC(c2ccccc2)CC1 ZINC000069415045 388415188 /nfs/dbraw/zinc/41/51/88/388415188.db2.gz WNEPGPJXCQNPDO-CQSZACIVSA-N 0 0 245.322 2.182 50 0 BEAARN CCC[C@H](C)NC(=O)Nc1nccs1 ZINC000040490185 388417789 /nfs/dbraw/zinc/41/77/89/388417789.db2.gz FZUYNDXQOIUDGE-ZETCQYMHSA-N 0 0 213.306 2.453 50 0 BEAARN CC(C)(C)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000069566724 388420561 /nfs/dbraw/zinc/42/05/61/388420561.db2.gz HTPNIZPUFJRPJB-UHFFFAOYSA-N 0 0 244.298 2.456 50 0 BEAARN O=C(C1CC1)N1CCC(c2nccs2)CC1 ZINC000040623311 388422866 /nfs/dbraw/zinc/42/28/66/388422866.db2.gz DZWWMSIXICNRKF-UHFFFAOYSA-N 0 0 236.340 2.259 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)on1 ZINC000009322958 388429635 /nfs/dbraw/zinc/42/96/35/388429635.db2.gz UXRQAMQGNQIYSE-UHFFFAOYSA-N 0 0 245.282 2.301 50 0 BEAARN O=C1c2ccccc2[C@@H](O)N1C1CCCCC1 ZINC000009434703 388434574 /nfs/dbraw/zinc/43/45/74/388434574.db2.gz QFJYVOQFFWBMQB-CYBMUJFWSA-N 0 0 231.295 2.466 50 0 BEAARN Cn1ncc2c1ncnc2NC1CCCCCC1 ZINC000009532000 388437238 /nfs/dbraw/zinc/43/72/38/388437238.db2.gz VVHJDSGQBBQDLD-UHFFFAOYSA-N 0 0 245.330 2.498 50 0 BEAARN C[C@H](C(=O)Nc1nccs1)n1cccc1 ZINC000130510137 388540490 /nfs/dbraw/zinc/54/04/90/388540490.db2.gz LDYLNVBKZNOTDA-MRVPVSSYSA-N 0 0 221.285 2.144 50 0 BEAARN COC[C@H](NCc1csnn1)c1ccccc1 ZINC000253418754 388592155 /nfs/dbraw/zinc/59/21/55/388592155.db2.gz SUTXOIASZQJVGU-LBPRGKRZSA-N 0 0 249.339 2.015 50 0 BEAARN CC(C)(O)CCCCOC(=O)c1cccnc1 ZINC000253424331 388592268 /nfs/dbraw/zinc/59/22/68/388592268.db2.gz DRPUCOBUWJJGQM-UHFFFAOYSA-N 0 0 237.299 2.180 50 0 BEAARN Cc1cc(C)nc(N2CCS[C@@H](C)CC2)n1 ZINC000253431465 388593214 /nfs/dbraw/zinc/59/32/14/388593214.db2.gz HFCXZXSYQJOZGE-NSHDSACASA-N 0 0 237.372 2.425 50 0 BEAARN C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)[O-])C1 ZINC000237580982 388596003 /nfs/dbraw/zinc/59/60/03/388596003.db2.gz WUQIMQSNEGRWSA-SKDRFNHKSA-N 0 0 237.274 2.293 50 0 BEAARN CO[C@]1([Si](C)(C)C)CCCC[C@@H]1O ZINC000195798187 388599121 /nfs/dbraw/zinc/59/91/21/388599121.db2.gz JOSYMWZCBQOYPQ-UWVGGRQHSA-N 0 0 202.370 2.184 50 0 BEAARN CC(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000076477525 388666797 /nfs/dbraw/zinc/66/67/97/388666797.db2.gz IXODWJSWANTWHS-UHFFFAOYSA-N 0 0 212.318 2.131 50 0 BEAARN Cc1cc(Br)ccc1S(C)(=O)=O ZINC000091297325 177723828 /nfs/dbraw/zinc/72/38/28/177723828.db2.gz LNVYXKNXYRIPOR-UHFFFAOYSA-N 0 0 249.129 2.161 50 0 BEAARN O=C([O-])CCCC[N@@H+]1CCCC(F)(F)CC1 ZINC000530168591 388619680 /nfs/dbraw/zinc/61/96/80/388619680.db2.gz OSKGZYMMLSQNBV-UHFFFAOYSA-N 0 0 235.274 2.363 50 0 BEAARN CN=c1scc(-c2ccccc2F)n1C ZINC000254290129 388630468 /nfs/dbraw/zinc/63/04/68/388630468.db2.gz VEEIOHFPMKGRDX-UHFFFAOYSA-N 0 0 222.288 2.423 50 0 BEAARN COC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000074859067 388652629 /nfs/dbraw/zinc/65/26/29/388652629.db2.gz JIOMFGXJXANDTA-UHFFFAOYSA-N 0 0 233.223 2.280 50 0 BEAARN CC[C@@H](C(=O)OC1COC1)c1ccccc1 ZINC000078612888 388737463 /nfs/dbraw/zinc/73/74/63/388737463.db2.gz ZYLGNHFOEGREAI-GFCCVEGCSA-N 0 0 220.268 2.122 50 0 BEAARN O=C(C1=CCCC1)N1CC(=O)Nc2ccccc21 ZINC000089865672 388741286 /nfs/dbraw/zinc/74/12/86/388741286.db2.gz QPAFLHXRQYGHSK-UHFFFAOYSA-N 0 0 242.278 2.082 50 0 BEAARN CCS[C@@H]1CCC[C@@H](NC(=O)CCOC)C1 ZINC000079013380 388742702 /nfs/dbraw/zinc/74/27/02/388742702.db2.gz OHJLCUGFGXPSLQ-GHMZBOCLSA-N 0 0 245.388 2.203 50 0 BEAARN Cc1cc(C(=O)[O-])c(C)n1-c1cc[nH+]cc1 ZINC000022223940 388697425 /nfs/dbraw/zinc/69/74/25/388697425.db2.gz ZQWLJAWEADFIJE-UHFFFAOYSA-N 0 0 216.240 2.187 50 0 BEAARN O=C1C[C@@H]2CCC[C@H](c3ccccc3)[C@]2(O)O1 ZINC000012653213 388722688 /nfs/dbraw/zinc/72/26/88/388722688.db2.gz ZMWQOEWNVDTTKC-OUCADQQQSA-N 0 0 232.279 2.206 50 0 biogenic BEAARN CCC[C@H]1SCCN1C(=O)c1cc(C)on1 ZINC000118649790 388731708 /nfs/dbraw/zinc/73/17/08/388731708.db2.gz FQNIZFNLAZNTBE-SNVBAGLBSA-N 0 0 240.328 2.298 50 0 BEAARN CCN(CCC1CC1)C(=O)CCCn1ccnc1 ZINC000095940532 388791879 /nfs/dbraw/zinc/79/18/79/388791879.db2.gz FDONMWWUZNJZPI-UHFFFAOYSA-N 0 0 249.358 2.312 50 0 BEAARN Cc1noc(C)c1CC(=O)Nc1ccc(C)cn1 ZINC000095946550 388792264 /nfs/dbraw/zinc/79/22/64/388792264.db2.gz NHHPHMHRYMSELK-UHFFFAOYSA-N 0 0 245.282 2.176 50 0 BEAARN CSCCCNC(=O)Nc1ccncc1C ZINC000095981992 388799821 /nfs/dbraw/zinc/79/98/21/388799821.db2.gz OMEYJWOYZYMORN-UHFFFAOYSA-N 0 0 239.344 2.265 50 0 BEAARN CC[C@@H](C)OCC(=O)Nc1c(C)cccc1O ZINC000095995395 388801203 /nfs/dbraw/zinc/80/12/03/388801203.db2.gz LRNXTEKPRMHCNJ-SNVBAGLBSA-N 0 0 237.299 2.454 50 0 BEAARN CCCCCS(=O)(=O)NCc1ccsc1 ZINC000095993342 388801751 /nfs/dbraw/zinc/80/17/51/388801751.db2.gz LLPOHJSYQXDYKZ-UHFFFAOYSA-N 0 0 247.385 2.358 50 0 BEAARN Fc1ccc(COCc2ncc[nH]2)c(F)c1 ZINC000095990966 388802189 /nfs/dbraw/zinc/80/21/89/388802189.db2.gz URJNGLGBHGGWSC-UHFFFAOYSA-N 0 0 224.210 2.405 50 0 BEAARN CCOCCOc1ccc(OC)c(C)c1 ZINC000096007427 388803039 /nfs/dbraw/zinc/80/30/39/388803039.db2.gz KDMDDHQTXNWUIK-UHFFFAOYSA-N 0 0 210.273 2.419 50 0 BEAARN Cn1nc(CNC(=O)CC(C)(C)C)cc1C1CC1 ZINC000096099270 388808032 /nfs/dbraw/zinc/80/80/32/388808032.db2.gz VGLJNMFQDFTKCK-UHFFFAOYSA-N 0 0 249.358 2.350 50 0 BEAARN CCO[C@H]1C[C@@H](NC(C)=O)C12CCCCC2 ZINC000095402005 388765480 /nfs/dbraw/zinc/76/54/80/388765480.db2.gz CXLNJOZSTFFEFK-NEPJUHHUSA-N 0 0 225.332 2.250 50 0 BEAARN CC[C@H](SC[C@H](O)CO)c1ccccc1 ZINC000095407547 388766324 /nfs/dbraw/zinc/76/63/24/388766324.db2.gz ORCFUUSYTLRTGF-NEPJUHHUSA-N 0 0 226.341 2.224 50 0 BEAARN O=C1C=C(Nc2ccc(F)c(Cl)c2)CO1 ZINC000096191664 388812578 /nfs/dbraw/zinc/81/25/78/388812578.db2.gz FYYSTDYROFCDBY-UHFFFAOYSA-N 0 0 227.622 2.332 50 0 BEAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1Cc1ccccc1 ZINC000095483163 388777102 /nfs/dbraw/zinc/77/71/02/388777102.db2.gz KCSZGLKFTDCMAL-BETUJISGSA-N 0 0 243.306 2.362 50 0 BEAARN O=C([O-])C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000037374891 388812995 /nfs/dbraw/zinc/81/29/95/388812995.db2.gz AXCHIWLVZJVPFM-UHFFFAOYSA-N 0 0 245.322 2.095 50 0 BEAARN CCCCNC(=O)N(C)[C@@H](C)CSC ZINC000096413449 388818640 /nfs/dbraw/zinc/81/86/40/388818640.db2.gz OTIAHAMGIMNAJG-VIFPVBQESA-N 0 0 218.366 2.179 50 0 BEAARN CSCCCNC(=O)Nc1ccc(C)cn1 ZINC000096502460 388821147 /nfs/dbraw/zinc/82/11/47/388821147.db2.gz GIVPVJJSGNRKOL-UHFFFAOYSA-N 0 0 239.344 2.265 50 0 BEAARN Cc1cc(C2N=NC(=S)N2C)cs1 ZINC000002569121 177696122 /nfs/dbraw/zinc/69/61/22/177696122.db2.gz VNHTUWVJDPAIDD-UHFFFAOYSA-N 0 0 211.315 2.141 50 0 BEAARN Cn1ccc(NC(=O)/C=C\c2cccs2)n1 ZINC000096911405 388828056 /nfs/dbraw/zinc/82/80/56/388828056.db2.gz GLZDALGIFGEGPT-PLNGDYQASA-N 0 0 233.296 2.134 50 0 BEAARN CC[C@H](CO)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000097047198 388831216 /nfs/dbraw/zinc/83/12/16/388831216.db2.gz DYIZHOFSGISING-ZIAGYGMSSA-N 0 0 247.338 2.067 50 0 BEAARN C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccnc2)n[nH]1 ZINC000194589668 388837908 /nfs/dbraw/zinc/83/79/08/388837908.db2.gz AXXAEPUEHGERIL-PSASIEDQSA-N 0 0 242.282 2.180 50 0 BEAARN Cc1nnc(S[C@H]2CCCCC2=O)s1 ZINC000037485677 388880185 /nfs/dbraw/zinc/88/01/85/388880185.db2.gz XMGJPMNSPKPFLZ-QMMMGPOBSA-N 0 0 228.342 2.450 50 0 BEAARN Cc1cc(-c2ccncc2)nc(N2CCCC2)n1 ZINC000020389461 177686679 /nfs/dbraw/zinc/68/66/79/177686679.db2.gz JPXPFSCWMSREFS-UHFFFAOYSA-N 0 0 240.310 2.447 50 0 BEAARN Cc1nccnc1N1CCC(F)(F)[C@@H](C)C1 ZINC000291196210 132218046 /nfs/dbraw/zinc/21/80/46/132218046.db2.gz TYNHYAWUXDYJEB-QMMMGPOBSA-N 0 0 227.258 2.267 50 0 BEAARN FCC1CCN(c2ncc(Cl)cn2)CC1 ZINC000294995283 132219994 /nfs/dbraw/zinc/21/99/94/132219994.db2.gz NPJVZNJLCAQENR-UHFFFAOYSA-N 0 0 229.686 2.316 50 0 BEAARN CO[C@H]1CCN(c2ccc(F)cn2)C[C@H]1C ZINC000336273099 132245827 /nfs/dbraw/zinc/24/58/27/132245827.db2.gz VVKXXLAWBUNSQZ-KOLCDFICSA-N 0 0 224.279 2.082 50 0 BEAARN FC(F)(F)c1ccnc(N2CCSCC2)n1 ZINC000253473023 132303901 /nfs/dbraw/zinc/30/39/01/132303901.db2.gz RBEZKISLYHPLLG-UHFFFAOYSA-N 0 0 249.261 2.049 50 0 BEAARN Cc1sc2ncnc(N3CCOCC3)c2c1C ZINC000000052741 132312679 /nfs/dbraw/zinc/31/26/79/132312679.db2.gz BYGCFGMQARCSMY-UHFFFAOYSA-N 0 0 249.339 2.145 50 0 BEAARN O=c1cc(N2CCOCC2)c2ccccc2s1 ZINC000000229678 132313117 /nfs/dbraw/zinc/31/31/17/132313117.db2.gz PKSSCLALZJRJHQ-UHFFFAOYSA-N 0 0 247.319 2.098 50 0 BEAARN Cc1ccc(N2N=C(C)CCC2=O)cc1 ZINC000000270424 132313252 /nfs/dbraw/zinc/31/32/52/132313252.db2.gz AZNWHGXEVZWIIU-UHFFFAOYSA-N 0 0 202.257 2.498 50 0 BEAARN CCN1c2ccccc2C(=O)[C@@](F)(CC)C1=O ZINC000000344059 132313570 /nfs/dbraw/zinc/31/35/70/132313570.db2.gz SKAVWCIZFKTYDC-ZDUSSCGKSA-N 0 0 235.258 2.354 50 0 BEAARN c1ccc2c(c1)cccc2N1CC[NH2+]CC1 ZINC000002516045 132314802 /nfs/dbraw/zinc/31/48/02/132314802.db2.gz VNICFCQJUVFULD-UHFFFAOYSA-N 0 0 212.296 2.249 50 0 in-vivo BEAARN O=CC(=O)c1ccc(N2CCCCC2)cc1 ZINC000004204393 132316014 /nfs/dbraw/zinc/31/60/14/132316014.db2.gz HDMZBJYHHWVFQO-UHFFFAOYSA-N 0 0 217.268 2.059 50 0 BEAARN C[C@@H]1CN(c2ncnc3sccc32)C[C@@H](C)O1 ZINC000004324091 132316385 /nfs/dbraw/zinc/31/63/85/132316385.db2.gz LCEVDAZWVBWVKB-RKDXNWHRSA-N 0 0 249.339 2.305 50 0 BEAARN CCC(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 ZINC000005252239 132317477 /nfs/dbraw/zinc/31/74/77/132317477.db2.gz MRHUTGHPUVYGRJ-UHFFFAOYSA-N 0 0 246.310 2.334 50 0 BEAARN O=C([C@H]1CCCO1)N1CCCc2ccccc21 ZINC000006341663 132318324 /nfs/dbraw/zinc/31/83/24/132318324.db2.gz ZAEPPPXHXHKUSB-CYBMUJFWSA-N 0 0 231.295 2.145 50 0 BEAARN CCCN1c2ccc(NC(C)=O)cc2CCC1=O ZINC000008736807 132319132 /nfs/dbraw/zinc/31/91/32/132319132.db2.gz UWCFRWGIBVUAEH-UHFFFAOYSA-N 0 0 246.310 2.334 50 0 BEAARN CC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(N)c1 ZINC000012339044 132321114 /nfs/dbraw/zinc/32/11/14/132321114.db2.gz FMUUOIILUAMXTO-AOOOYVTPSA-N 0 0 248.326 2.085 50 0 BEAARN CC[C@H]1CCCCN1c1ncnc2c1cnn2C ZINC000014140787 132322672 /nfs/dbraw/zinc/32/26/72/132322672.db2.gz QZVFMRIEWXZPHP-JTQLQIEISA-N 0 0 245.330 2.132 50 0 BEAARN C[C@@H]1CN(c2cnc3ccccc3n2)C[C@@H](C)O1 ZINC000026134618 132333257 /nfs/dbraw/zinc/33/32/57/132333257.db2.gz PRMYCHZGLZCUMI-GHMZBOCLSA-N 0 0 243.310 2.243 50 0 BEAARN C[C@@H]1CN(c2ccc(N)cc2F)C[C@H](C)O1 ZINC000026515017 132333711 /nfs/dbraw/zinc/33/37/11/132333711.db2.gz FOXDRQYNTAHYRU-DTORHVGOSA-N 0 0 224.279 2.022 50 0 BEAARN Cc1nn(C)c2c1ncnc2N1CCCC[C@@H]1C ZINC000032649414 132335599 /nfs/dbraw/zinc/33/55/99/132335599.db2.gz ABZFAGMPMKZZPU-VIFPVBQESA-N 0 0 245.330 2.051 50 0 BEAARN CSCC(=O)N1CCCc2ccccc21 ZINC000032975306 132335852 /nfs/dbraw/zinc/33/58/52/132335852.db2.gz BVMBPJYGSRNVAQ-UHFFFAOYSA-N 0 0 221.325 2.329 50 0 BEAARN c1ccc2c(c1)ncnc2N1CCSCC1 ZINC000033966660 132336595 /nfs/dbraw/zinc/33/65/95/132336595.db2.gz JSTYPDUGUIZHES-UHFFFAOYSA-N 0 0 231.324 2.183 50 0 BEAARN O=C(n1ccnc1)N1CCSc2ccccc21 ZINC000045795959 132354607 /nfs/dbraw/zinc/35/46/07/132354607.db2.gz QFDVCQYIAJQTKP-UHFFFAOYSA-N 0 0 245.307 2.464 50 0 BEAARN CC[C@H]1CCCCN1c1cc(C)nc2ncnn21 ZINC000048290990 132355350 /nfs/dbraw/zinc/35/53/50/132355350.db2.gz RLVLAZJKBUWOAD-NSHDSACASA-N 0 0 245.330 2.202 50 0 BEAARN Cc1ccc2c(c1)OCCN2C(=O)C1CC1 ZINC000064554697 132388998 /nfs/dbraw/zinc/38/89/98/132388998.db2.gz INYKSAHADFOFHW-UHFFFAOYSA-N 0 0 217.268 2.130 50 0 BEAARN COCCC(=O)N1C[C@@H](C)Oc2cc(C)ccc21 ZINC000064554770 132389234 /nfs/dbraw/zinc/38/92/34/132389234.db2.gz LOZXAPFPISAERI-LLVKDONJSA-N 0 0 249.310 2.145 50 0 BEAARN CCNC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000064554712 132389681 /nfs/dbraw/zinc/38/96/81/132389681.db2.gz WJAHUQPGPRINOV-SECBINFHSA-N 0 0 220.272 2.003 50 0 BEAARN O=C(C1CCC1)N1CCCc2ncccc21 ZINC000069416305 132391221 /nfs/dbraw/zinc/39/12/21/132391221.db2.gz MHYBLKZXBLITRJ-UHFFFAOYSA-N 0 0 216.284 2.161 50 0 BEAARN C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCOC1 ZINC000098012599 132433063 /nfs/dbraw/zinc/43/30/63/132433063.db2.gz MKOCFTQHXXTDQT-YPMHNXCESA-N 0 0 245.322 2.391 50 0 BEAARN CCCCOC[C@@H](O)Cn1cnc2ccccc21 ZINC000002182513 133444096 /nfs/dbraw/zinc/44/40/96/133444096.db2.gz LBXDGWRHXXOQOU-LBPRGKRZSA-N 0 0 248.326 2.214 50 0 BEAARN CC(C)(C)C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC000335107981 133775922 /nfs/dbraw/zinc/77/59/22/133775922.db2.gz CNLFGNDLUHCUTG-UHFFFAOYSA-N 0 0 224.279 2.272 50 0 BEAARN C[C@H](NS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000033911376 133816829 /nfs/dbraw/zinc/81/68/29/133816829.db2.gz SQONEYZPUOJMIJ-JTQLQIEISA-N 0 0 249.335 2.450 50 0 BEAARN Cc1ccncc1C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000335833068 133932243 /nfs/dbraw/zinc/93/22/43/133932243.db2.gz OIUWMLOWMKOFPM-ZJUUUORDSA-N 0 0 222.263 2.010 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CC[C@H](F)C2)ccn1 ZINC000335982831 134038274 /nfs/dbraw/zinc/03/82/74/134038274.db2.gz HPTDKJCYCXNQSG-WDEREUQCSA-N 0 0 222.263 2.010 50 0 BEAARN Cc1noc(-c2cncnc2NCCC(C)C)n1 ZINC000253471438 135127105 /nfs/dbraw/zinc/12/71/05/135127105.db2.gz CPVFJAIKASWIIJ-UHFFFAOYSA-N 0 0 247.302 2.293 50 0 BEAARN CC[C@H]1COCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000253606413 135127841 /nfs/dbraw/zinc/12/78/41/135127841.db2.gz LIUIAWRXCLZXMO-WUHRBBMRSA-N 0 0 237.343 2.060 50 0 BEAARN Cc1nc(-c2ccccc2-c2noc(C)n2)no1 ZINC000299803793 135207057 /nfs/dbraw/zinc/20/70/57/135207057.db2.gz CVGHCDHBEUPWSO-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCCO2)C1 ZINC000079069234 135269632 /nfs/dbraw/zinc/26/96/32/135269632.db2.gz ZWXNZDNOVGQVNM-MDZLAQPJSA-N 0 0 225.332 2.250 50 0 BEAARN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000262272610 135289236 /nfs/dbraw/zinc/28/92/36/135289236.db2.gz UENXXFXKAOJOPS-JSGCOSHPSA-N 0 0 247.338 2.414 50 0 BEAARN CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000263392300 135351248 /nfs/dbraw/zinc/35/12/48/135351248.db2.gz YVZAFEOYAIJUGR-MGPQQGTHSA-N 0 0 247.338 2.489 50 0 BEAARN O=C(N[C@H]1CCSC1)c1ccc(F)cc1 ZINC000081035343 135385988 /nfs/dbraw/zinc/38/59/88/135385988.db2.gz QCILHUPLPFYMRM-JTQLQIEISA-N 0 0 225.288 2.061 50 0 BEAARN C[C@@H]1CN(C(=O)C2CC=CC2)C[C@H](C)S1 ZINC000095403636 135626349 /nfs/dbraw/zinc/62/63/49/135626349.db2.gz RWPJHEBNVIFJPX-AOOOYVTPSA-N 0 0 225.357 2.305 50 0 BEAARN Cc1nsc(N2CCC(CF)CC2)n1 ZINC000334786240 135812751 /nfs/dbraw/zinc/81/27/51/135812751.db2.gz KWLQNNWQDGROBP-UHFFFAOYSA-N 0 0 215.297 2.032 50 0 BEAARN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](F)C2)o1 ZINC000335315732 136024627 /nfs/dbraw/zinc/02/46/27/136024627.db2.gz ITPPWYQGNVEPFM-RKDXNWHRSA-N 0 0 211.236 2.208 50 0 BEAARN Cc1ccc(C(=O)N[C@H]2CC[C@H](F)C2)o1 ZINC000335315731 136024800 /nfs/dbraw/zinc/02/48/00/136024800.db2.gz ITPPWYQGNVEPFM-IUCAKERBSA-N 0 0 211.236 2.208 50 0 BEAARN Cc1nccc(CN2CCC[C@@](C)(F)C2)n1 ZINC000335354223 136070432 /nfs/dbraw/zinc/07/04/32/136070432.db2.gz FLHCHGULOVRTBY-GFCCVEGCSA-N 0 0 223.295 2.109 50 0 BEAARN CC(C)CNC(=O)Nc1cc(N)ccc1F ZINC000335393722 136091701 /nfs/dbraw/zinc/09/17/01/136091701.db2.gz SIKLVODAZSZFGR-UHFFFAOYSA-N 0 0 225.267 2.185 50 0 BEAARN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)N1CCC=C(F)C1 ZINC000335596360 136104957 /nfs/dbraw/zinc/10/49/57/136104957.db2.gz OLYMVZAICFKIEV-DOFRTFSJSA-N 0 0 224.279 2.054 50 0 BEAARN COC(=O)c1ccn(C(=O)OC(C)(C)C)c1C ZINC000170602345 397824585 /nfs/dbraw/zinc/82/45/85/397824585.db2.gz DUDXRAPBAYJABL-UHFFFAOYSA-N 0 0 239.271 2.366 50 0 BEAARN c1ccc(NCc2ccc3c(c2)OCO3)nc1 ZINC000008379921 397934132 /nfs/dbraw/zinc/93/41/32/397934132.db2.gz HBFBNKLYQHZPNA-UHFFFAOYSA-N 0 0 228.251 2.422 50 0 BEAARN COC(=O)c1[nH]c2cc(Cl)ccc2c1C=O ZINC000008378129 397934285 /nfs/dbraw/zinc/93/42/85/397934285.db2.gz GKXMWERDCUFMMP-UHFFFAOYSA-N 0 0 237.642 2.420 50 0 BEAARN CC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000007109897 397965494 /nfs/dbraw/zinc/96/54/94/397965494.db2.gz ZENLOYGOEYYJGS-UHFFFAOYSA-N 0 0 246.262 2.473 50 0 BEAARN c1nnc(-c2n[nH]c3c2CCc2ccccc2-3)o1 ZINC000008706580 397936561 /nfs/dbraw/zinc/93/65/61/397936561.db2.gz PBFHGUIUDKUYJS-UHFFFAOYSA-N 0 0 238.250 2.225 50 0 BEAARN CO[C@]1(C(F)(F)F)N=CNc2ccnc(C)c21 ZINC000036559033 397941479 /nfs/dbraw/zinc/94/14/79/397941479.db2.gz OBXRHJTWGBUXCU-SECBINFHSA-N 0 0 245.204 2.015 50 0 BEAARN CO[C@H](C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000078974512 397967921 /nfs/dbraw/zinc/96/79/21/397967921.db2.gz FOHTXAJZYGDIFL-IJLUTSLNSA-N 0 0 235.327 2.330 50 0 BEAARN CCc1nc2c(NC(=O)C(C)(C)C)cccn2n1 ZINC000065283584 397961195 /nfs/dbraw/zinc/96/11/95/397961195.db2.gz GRPDSQICBCMIQL-UHFFFAOYSA-N 0 0 246.314 2.276 50 0 BEAARN Cc1ccc(/C=C/C(=O)NC[C@H]2CCCO2)cc1 ZINC000000433123 397914792 /nfs/dbraw/zinc/91/47/92/397914792.db2.gz YFJUGZZDVDZNTD-MYSGNRETSA-N 0 0 245.322 2.303 50 0 BEAARN C[C@@H](NC(=O)CCc1ccco1)c1ccccn1 ZINC000028784183 397991616 /nfs/dbraw/zinc/99/16/16/397991616.db2.gz BVRUQNUVDIUUJZ-LLVKDONJSA-N 0 0 244.294 2.485 50 0 BEAARN c1coc(CNc2nnc([C@@H]3CCCO3)o2)c1 ZINC000170592196 397998474 /nfs/dbraw/zinc/99/84/74/397998474.db2.gz XQSYWILXHWEQQN-VIFPVBQESA-N 0 0 235.243 2.126 50 0 BEAARN COC[C@H](C)NC(=O)C1(c2cccc(C)c2)CC1 ZINC000071822609 398018941 /nfs/dbraw/zinc/01/89/41/398018941.db2.gz JZLLJLYVOHOPHQ-LBPRGKRZSA-N 0 0 247.338 2.178 50 0 BEAARN CCC1(NC(=O)c2cccc(OC)c2)CC1 ZINC000295949223 398022211 /nfs/dbraw/zinc/02/22/11/398022211.db2.gz QTVZHARPSHVMBU-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN Nc1ncc2cc(C(F)(F)F)ccc2n1 ZINC000039039896 398026455 /nfs/dbraw/zinc/02/64/55/398026455.db2.gz DFOFJSOWTYTIDK-UHFFFAOYSA-N 0 0 213.162 2.231 50 0 BEAARN CC(C)(C)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000081253779 398067549 /nfs/dbraw/zinc/06/75/49/398067549.db2.gz TVMDFXCXAWYJTH-GFCCVEGCSA-N 0 0 235.327 2.272 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccnc(OC)c1 ZINC000058160362 398070626 /nfs/dbraw/zinc/07/06/26/398070626.db2.gz MTSHQDJJNQZPDR-YHYXMXQVSA-N 0 0 234.299 2.063 50 0 BEAARN CC(C)[C@H]1CN(C(=O)C2CCC2)CCS1 ZINC000089802099 398087640 /nfs/dbraw/zinc/08/76/40/398087640.db2.gz ZUIFXYDMRLNGOH-LLVKDONJSA-N 0 0 227.373 2.387 50 0 BEAARN CC(C)CNc1cc(C[NH+](C)C)ccn1 ZINC000097236815 167015656 /nfs/dbraw/zinc/01/56/56/167015656.db2.gz VCHLVGRAAAPWFI-UHFFFAOYSA-N 0 0 207.321 2.211 50 0 BEAARN CNC(=O)Nc1cccc(Cl)c1OC ZINC000000401987 173293096 /nfs/dbraw/zinc/29/30/96/173293096.db2.gz KNJWWHKHYBRDLK-UHFFFAOYSA-N 0 0 214.652 2.100 50 0 BEAARN CC(C)OC(=O)c1ccc2nc(N)sc2c1 ZINC000003881161 167171064 /nfs/dbraw/zinc/17/10/64/167171064.db2.gz BAKTWZARGBVQQH-UHFFFAOYSA-N 0 0 236.296 2.444 50 0 BEAARN Cc1cnc(C(=O)N(C2CC2)C2CCCC2)cn1 ZINC000058667950 487565645 /nfs/dbraw/zinc/56/56/45/487565645.db2.gz WTKXYZFKCOFFLD-UHFFFAOYSA-N 0 0 245.326 2.332 50 0 BEAARN CC[C@@H]1CN(c2cc(C)nc(C)n2)[C@H](CC)CO1 ZINC000585090485 487573451 /nfs/dbraw/zinc/57/34/51/487573451.db2.gz UHYJQRWKWORXLO-CHWSQXEVSA-N 0 0 249.358 2.487 50 0 BEAARN CC[C@@H]1COC(C)(C)CN1c1cc(C)nc(C)n1 ZINC000585090391 487573506 /nfs/dbraw/zinc/57/35/06/487573506.db2.gz IHUZFKVZZSMFON-GFCCVEGCSA-N 0 0 249.358 2.487 50 0 BEAARN O=C([C@H]1CCCC(F)(F)C1)N1CC2(CC2)C1 ZINC000334872133 487576090 /nfs/dbraw/zinc/57/60/90/487576090.db2.gz JPMXDNGWJHPFDC-VIFPVBQESA-N 0 0 229.270 2.434 50 0 BEAARN Fc1ccc(Cn2cc(C3CC3)nn2)c(F)c1 ZINC000585362108 487583626 /nfs/dbraw/zinc/58/36/26/487583626.db2.gz YIDHWBUOHBMZKW-UHFFFAOYSA-N 0 0 235.237 2.482 50 0 BEAARN CC[C@@H](C(N)=O)N1Cc2cccc(F)c2C1 ZINC000335171002 487603123 /nfs/dbraw/zinc/60/31/23/487603123.db2.gz YXBLLACTFYLUAN-NSHDSACASA-N 0 0 222.263 2.455 50 0 BEAARN COC[C@@H](C)Nc1cccc(-c2ncon2)c1 ZINC000097095666 410052960 /nfs/dbraw/zinc/05/29/60/410052960.db2.gz XURCRFBKYFIKSZ-SECBINFHSA-N 0 0 233.271 2.183 50 0 BEAARN Brc1ccc(CC2OCCO2)cc1 ZINC000002529048 166097528 /nfs/dbraw/zinc/09/75/28/166097528.db2.gz ACKDBUNMLXWBHV-UHFFFAOYSA-N 0 0 243.100 2.365 50 0 BEAARN Brc1ccc(-c2nc[nH]n2)cc1 ZINC000095483537 166098318 /nfs/dbraw/zinc/09/83/18/166098318.db2.gz XJSPWQRTWATLKK-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1ccc2ncncc2c1 ZINC000015043080 166099232 /nfs/dbraw/zinc/09/92/32/166099232.db2.gz FLQBSQZDZFVMTO-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc([C@H]2C[NH2+]CS2)cn1 ZINC000169725579 166099874 /nfs/dbraw/zinc/09/98/74/166099874.db2.gz KHVOZNYFRCPNHC-SSDOTTSWSA-N 0 0 245.145 2.179 50 0 BEAARN Brc1ccc2c(n1)CCCN2 ZINC000040165655 166100142 /nfs/dbraw/zinc/10/01/42/166100142.db2.gz IDYOBWKVTSMJBF-UHFFFAOYSA-N 0 0 213.078 2.202 50 0 BEAARN Brc1cccc(-c2ncon2)c1 ZINC000038537043 166100891 /nfs/dbraw/zinc/10/08/91/166100891.db2.gz NJOGUMIPSJIRBL-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1cccc(OC[C@@H]2CO2)c1 ZINC000004200164 166101136 /nfs/dbraw/zinc/10/11/36/166101136.db2.gz MJDGHPATEBXUTI-SECBINFHSA-N 0 0 229.073 2.227 50 0 BEAARN Brc1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000020269162 166101165 /nfs/dbraw/zinc/10/11/65/166101165.db2.gz ZAFIQPSQXJOTKS-SNVBAGLBSA-N 0 0 242.116 2.110 50 0 BEAARN Brc1cccc2cnncc12 ZINC000069476353 166102068 /nfs/dbraw/zinc/10/20/68/166102068.db2.gz PFWLAJKBPRUGNT-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1cnc(-n2cccc2)nc1 ZINC000001402800 166104215 /nfs/dbraw/zinc/10/42/15/166104215.db2.gz QOVHYYVLNOSCPT-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Cc1nnc(=O)[nH]c1Nc1ccccc1C(C)C ZINC000000114358 410201895 /nfs/dbraw/zinc/20/18/95/410201895.db2.gz QORPYIDEONUKIH-UHFFFAOYSA-N 0 0 244.298 2.340 50 0 BEAARN CCN(CC)C(=O)/C=C/c1ccccc1O ZINC000003162870 169744148 /nfs/dbraw/zinc/74/41/48/169744148.db2.gz BGUVUPQHCJEUST-MDZDMXLPSA-N 0 0 219.284 2.274 50 0 BEAARN CC(=O)c1cnc2ccc(Cl)cc2c1O ZINC000028313675 166439584 /nfs/dbraw/zinc/43/95/84/166439584.db2.gz PREVFBIXYZGMJO-UHFFFAOYSA-N 0 0 221.643 2.384 50 0 BEAARN CC(=O)c1cc(F)ccc1-n1cccn1 ZINC000019871192 166446139 /nfs/dbraw/zinc/44/61/39/166446139.db2.gz WONKGWQKFPTPEZ-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN CC(=O)c1cc2cccc(C)c2oc1=O ZINC000013363196 166449587 /nfs/dbraw/zinc/44/95/87/166449587.db2.gz DNOHRUCKKQLLJQ-UHFFFAOYSA-N 0 0 202.209 2.304 50 0 biogenic BEAARN CC(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000019871191 166451298 /nfs/dbraw/zinc/45/12/98/166451298.db2.gz GEYFXUVQFYDULL-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN CC(=O)c1ccc(NC(N)=O)cc1Cl ZINC000097084166 166465526 /nfs/dbraw/zinc/46/55/26/166465526.db2.gz WNZKKDZRJOKNBR-UHFFFAOYSA-N 0 0 212.636 2.033 50 0 BEAARN CC(=O)c1cccc(NC(=O)c2ocnc2C)c1 ZINC000000252920 166477007 /nfs/dbraw/zinc/47/70/07/166477007.db2.gz VRZSCNBWKGULHW-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN CC(=O)c1cccc(NC(=O)c2cc(C)no2)c1 ZINC000005006669 166477324 /nfs/dbraw/zinc/47/73/24/166477324.db2.gz ODLDFDVPUSZMTN-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN CC(C)(C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000058289715 166509231 /nfs/dbraw/zinc/50/92/31/166509231.db2.gz NSBXDOVCZFNWLM-ZDUSSCGKSA-N 0 0 247.338 2.259 50 0 BEAARN CC(C)(C)C(=O)COC(=O)c1ccccc1O ZINC000003342339 166522734 /nfs/dbraw/zinc/52/27/34/166522734.db2.gz ABEVGGNKBZIXKN-UHFFFAOYSA-N 0 0 236.267 2.164 50 0 BEAARN CC(C)(C)C(=O)NCCOCc1ccccc1 ZINC000096446350 166530252 /nfs/dbraw/zinc/53/02/52/166530252.db2.gz JYLREIBRPZGLIH-UHFFFAOYSA-N 0 0 235.327 2.366 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000071606080 166652045 /nfs/dbraw/zinc/65/20/45/166652045.db2.gz QZMUVNRDYLNZDA-SECBINFHSA-N 0 0 229.320 2.014 50 0 BEAARN CC(C)(C)OC(=O)Nc1cscn1 ZINC000071372422 166669521 /nfs/dbraw/zinc/66/95/21/166669521.db2.gz NNPOFSOQPYVUDW-UHFFFAOYSA-N 0 0 200.263 2.490 50 0 BEAARN CC(C)(C)OC(=O)Nc1cccnc1C=O ZINC000002523045 166670489 /nfs/dbraw/zinc/67/04/89/166670489.db2.gz AHTZIHDCJWVLKK-UHFFFAOYSA-N 0 0 222.244 2.241 50 0 BEAARN CC(C)C(=O)N(C)Cc1cccc(F)c1 ZINC000036391910 166703810 /nfs/dbraw/zinc/70/38/10/166703810.db2.gz CPSJZOAVKSWBGM-UHFFFAOYSA-N 0 0 209.264 2.440 50 0 BEAARN CC(C)C[NH2+][C@H](CC(=O)[O-])c1ccccc1 ZINC000004686975 167012873 /nfs/dbraw/zinc/01/28/73/167012873.db2.gz WXNPMXXYUSMZAV-GFCCVEGCSA-N 0 0 221.300 2.448 50 0 BEAARN CC(C)CNc1ccc(F)cc1OCCO ZINC000096453463 167017252 /nfs/dbraw/zinc/01/72/52/167017252.db2.gz PJKNOXJHMRZZGE-UHFFFAOYSA-N 0 0 227.279 2.265 50 0 BEAARN CC(C)NC(=O)C1(c2ccccc2F)CC1 ZINC000062061580 167037540 /nfs/dbraw/zinc/03/75/40/167037540.db2.gz CYHBPGMMJDMJAW-UHFFFAOYSA-N 0 0 221.275 2.382 50 0 BEAARN CC(C)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000029402207 167084747 /nfs/dbraw/zinc/08/47/47/167084747.db2.gz OEDGONSJYVKYBH-UHFFFAOYSA-N 0 0 229.283 2.011 50 0 BEAARN CC(C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000009467074 167086190 /nfs/dbraw/zinc/08/61/90/167086190.db2.gz QXISDVIVHXPSKW-UHFFFAOYSA-N 0 0 229.283 2.215 50 0 BEAARN CC(C)NC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000032533047 167087113 /nfs/dbraw/zinc/08/71/13/167087113.db2.gz YKVNJARZLJJMKG-UHFFFAOYSA-N 0 0 243.310 2.225 50 0 BEAARN CC(C)NC(=O)c1ccc2[nH]ccc2c1 ZINC000074715557 167087672 /nfs/dbraw/zinc/08/76/72/167087672.db2.gz UQVDVBQSPSAUIG-UHFFFAOYSA-N 0 0 202.257 2.306 50 0 BEAARN CC(C)NC(=O)c1ccc(N2CCCC2)cc1 ZINC000007383469 167087806 /nfs/dbraw/zinc/08/78/06/167087806.db2.gz SIJDXJADXGNSSR-UHFFFAOYSA-N 0 0 232.327 2.425 50 0 BEAARN CC(C)NC(=O)c1cccc(-c2cc[nH]n2)c1 ZINC000032593182 167088330 /nfs/dbraw/zinc/08/83/30/167088330.db2.gz YQJCLAXVDPPVGD-UHFFFAOYSA-N 0 0 229.283 2.215 50 0 BEAARN CC(C)NC(=O)c1ccc2cc[nH]c2c1 ZINC000032477104 167088478 /nfs/dbraw/zinc/08/84/78/167088478.db2.gz QYBBTAJMWPXHSG-UHFFFAOYSA-N 0 0 202.257 2.306 50 0 BEAARN CC(C)NC(=O)c1nc(-c2ccc(F)cc2)no1 ZINC000006746162 167090046 /nfs/dbraw/zinc/09/00/46/167090046.db2.gz NNFQKOJQFXDHPC-UHFFFAOYSA-N 0 0 249.245 2.014 50 0 BEAARN CC(C)NC(=O)c1csc(-c2ccncc2)n1 ZINC000062617725 167090834 /nfs/dbraw/zinc/09/08/34/167090834.db2.gz WEIPGKRJOUHLBS-UHFFFAOYSA-N 0 0 247.323 2.343 50 0 BEAARN CC(C)NC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000226753764 167090939 /nfs/dbraw/zinc/09/09/39/167090939.db2.gz BMJIIKJIBMCFRP-UHFFFAOYSA-N 0 0 247.273 2.150 50 0 BEAARN CC(C)NC(=S)Nc1ccc2nccnc2c1 ZINC000000445234 167092709 /nfs/dbraw/zinc/09/27/09/167092709.db2.gz WIPNOXQSORSRNX-UHFFFAOYSA-N 0 0 246.339 2.325 50 0 BEAARN CC(C)Oc1cncc(C(=O)N2CCCCC2)c1 ZINC000064542023 167312084 /nfs/dbraw/zinc/31/20/84/167312084.db2.gz ICRWYBNMPJSELS-UHFFFAOYSA-N 0 0 248.326 2.495 50 0 BEAARN CC(C)Sc1nc2ccccc2c(=O)n1C ZINC000012382831 167338503 /nfs/dbraw/zinc/33/85/03/167338503.db2.gz ZJCSEIFRPKKJLL-UHFFFAOYSA-N 0 0 234.324 2.434 50 0 BEAARN CC(C)Sc1nc2ccccc2c(=O)[nH]1 ZINC000095521273 167338927 /nfs/dbraw/zinc/33/89/27/167338927.db2.gz UBPQPHVQETWNIL-UHFFFAOYSA-N 0 0 220.297 2.424 50 0 BEAARN CC(C)[C@@H](C)CC(=O)Nc1ncccc1O ZINC000069369001 167358735 /nfs/dbraw/zinc/35/87/35/167358735.db2.gz KDGRIDAMZGUNIO-VIFPVBQESA-N 0 0 222.288 2.408 50 0 BEAARN CC(C)[C@@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000026932660 167378633 /nfs/dbraw/zinc/37/86/33/167378633.db2.gz AFSPZNZIHUBPDR-MRVPVSSYSA-N 0 0 222.288 2.326 50 0 BEAARN CC(C)[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000009513790 167383720 /nfs/dbraw/zinc/38/37/20/167383720.db2.gz MEBKLVWLMKGVNW-SNVBAGLBSA-N 0 0 227.329 2.009 50 0 BEAARN CC(C)c1ccc(CSC[C@@H](O)CO)cc1 ZINC000086660151 167599404 /nfs/dbraw/zinc/59/94/04/167599404.db2.gz WJPZBSPGDZAWQL-ZDUSSCGKSA-N 0 0 240.368 2.396 50 0 BEAARN CC(C)c1nc(CNC(=O)c2ccccc2)no1 ZINC000035477299 167666163 /nfs/dbraw/zinc/66/61/63/167666163.db2.gz ZGAKUHPEDQXBAA-UHFFFAOYSA-N 0 0 245.282 2.123 50 0 BEAARN CC(C)c1nnc2sc(-c3ccncc3)nn21 ZINC000002206591 167714342 /nfs/dbraw/zinc/71/43/42/167714342.db2.gz KQRPFQJZLZCPIZ-UHFFFAOYSA-N 0 0 245.311 2.371 50 0 BEAARN COc1ncccc1NC(=O)NC1CCCC1 ZINC000048287674 411183821 /nfs/dbraw/zinc/18/38/21/411183821.db2.gz TYTHVQHTNGDVLD-UHFFFAOYSA-N 0 0 235.287 2.154 50 0 BEAARN CCc1nsc(N2CCC[C@H]3C[C@H]32)n1 ZINC000521394191 411245490 /nfs/dbraw/zinc/24/54/90/411245490.db2.gz WHUBWSQVFXDBJD-JGVFFNPUSA-N 0 0 209.318 2.089 50 0 BEAARN CC(C)n1cnnc1S[C@H]1CCCCC1=O ZINC000032669899 167783869 /nfs/dbraw/zinc/78/38/69/167783869.db2.gz HWMJDZZHDFAHBK-JTQLQIEISA-N 0 0 239.344 2.463 50 0 BEAARN CONC(=O)NCCc1c(C)cc(C)cc1C ZINC000048851646 411218844 /nfs/dbraw/zinc/21/88/44/411218844.db2.gz OILIJGAXYRTSNB-UHFFFAOYSA-N 0 0 236.315 2.015 50 0 BEAARN CCNC(=O)Nc1cccnc1N1CCCCC1 ZINC000049359539 411231530 /nfs/dbraw/zinc/23/15/30/411231530.db2.gz FJVYPCNKBVBQKD-UHFFFAOYSA-N 0 0 248.330 2.213 50 0 BEAARN CCSc1cc(C(=O)Nc2cc[nH]n2)ccn1 ZINC000049449471 411234984 /nfs/dbraw/zinc/23/49/84/411234984.db2.gz DVXINRFGPKGUHH-UHFFFAOYSA-N 0 0 248.311 2.169 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c2n[nH]cc21 ZINC000049479920 411237574 /nfs/dbraw/zinc/23/75/74/411237574.db2.gz CUPMVDIXTJVYKA-BDAKNGLRSA-N 0 0 229.283 2.466 50 0 BEAARN Cc1c(C(N)=O)c(C)n(C)c1-c1ccccc1 ZINC000064551471 411270568 /nfs/dbraw/zinc/27/05/68/411270568.db2.gz BXQGQMFSMZQFCE-UHFFFAOYSA-N 0 0 228.295 2.408 50 0 BEAARN CC/C=C/CCn1cnc2[nH]ccc2c1=O ZINC000278264126 167849040 /nfs/dbraw/zinc/84/90/40/167849040.db2.gz OBNFYHPDZQVKGU-ONEGZZNKSA-N 0 0 217.272 2.081 50 0 BEAARN CC1(NC(=O)NCCSCC2CC2)CCC1 ZINC000095974510 168057141 /nfs/dbraw/zinc/05/71/41/168057141.db2.gz NBSOUZVZYSDTJY-UHFFFAOYSA-N 0 0 242.388 2.371 50 0 BEAARN CC1(NC(=O)Nc2ccncc2F)CCC1 ZINC000097136084 168058841 /nfs/dbraw/zinc/05/88/41/168058841.db2.gz UHVAREQSOAEPBT-UHFFFAOYSA-N 0 0 223.251 2.285 50 0 BEAARN CC12CN3CC(C)(CN(C1)C3c1ccccn1)C2 ZINC000019325198 168074048 /nfs/dbraw/zinc/07/40/48/168074048.db2.gz KNHVIZFGHXGFFK-UHFFFAOYSA-N 0 0 243.354 2.128 50 0 BEAARN CC1=C(C)C[S@@](=O)N(C(=O)c2ccccc2)C1 ZINC000000297750 168086651 /nfs/dbraw/zinc/08/66/51/168086651.db2.gz OSHRMIBSZLBLNL-KRWDZBQOSA-N 0 0 249.335 2.143 50 0 BEAARN CC1=CC(C)(C)N2C(=O)C(=O)c3cccc1c32 ZINC000001742997 168092065 /nfs/dbraw/zinc/09/20/65/168092065.db2.gz UZKCZJAPTCTWEN-UHFFFAOYSA-N 0 0 227.263 2.411 50 0 biogenic BEAARN CC1=N/C(=C\c2ccc(C)cc2)C(=O)O1 ZINC000001617701 168132670 /nfs/dbraw/zinc/13/26/70/168132670.db2.gz DRSAXSPSSHVKSE-XFFZJAGNSA-N 0 0 201.225 2.311 50 0 BEAARN CC1=N/C(=C\c2cc(F)ccc2F)C(=O)O1 ZINC000016697700 168132903 /nfs/dbraw/zinc/13/29/03/168132903.db2.gz WXPBRLXDFVOOBC-YHYXMXQVSA-N 0 0 223.178 2.281 50 0 BEAARN Cc1cc(=O)n(-c2cc(C)ccc2C)[nH]1 ZINC000003887163 168133910 /nfs/dbraw/zinc/13/39/10/168133910.db2.gz HYJKWZAGPAFYIP-UHFFFAOYSA-N 0 0 202.257 2.416 50 0 BEAARN CC1=NO[C@H](CNC(=O)Nc2ccccc2C)C1 ZINC000064555989 168136533 /nfs/dbraw/zinc/13/65/33/168136533.db2.gz FOPWBLKKMMTFNG-NSHDSACASA-N 0 0 247.298 2.281 50 0 BEAARN CC1CC(=O)N(Cc2ccccc2F)C(=O)C1 ZINC000089750932 168138696 /nfs/dbraw/zinc/13/86/96/168138696.db2.gz AEFXZKYJEBABOO-UHFFFAOYSA-N 0 0 235.258 2.111 50 0 BEAARN CC1CCC(NC(=O)/C=C/c2ccnn2C)CC1 ZINC000031471692 168160178 /nfs/dbraw/zinc/16/01/78/168160178.db2.gz YCJVKFVJWQVMMD-BQYQJAHWSA-N 0 0 247.342 2.128 50 0 BEAARN CC1CCC(NC(=S)NC2CC2)CC1 ZINC000007641700 168162854 /nfs/dbraw/zinc/16/28/54/168162854.db2.gz MHTIQSFTVCWUCS-UHFFFAOYSA-N 0 0 212.362 2.192 50 0 BEAARN CC1CCN(C(=O)[C@H]2CCCS2)CC1 ZINC000082301703 168176415 /nfs/dbraw/zinc/17/64/15/168176415.db2.gz JVWPCHSCPLCQHO-SNVBAGLBSA-N 0 0 213.346 2.141 50 0 BEAARN CC1CCN(C(=O)c2ccccc2N)CC1 ZINC000000539602 168176762 /nfs/dbraw/zinc/17/67/62/168176762.db2.gz NEWJUESKKWKYOU-UHFFFAOYSA-N 0 0 218.300 2.141 50 0 BEAARN CCC(=O)/N=c1\sc2cccc(C)c2n1C ZINC000100878772 168196844 /nfs/dbraw/zinc/19/68/44/168196844.db2.gz VTTOXWOLWAEXQO-SEYXRHQNSA-N 0 0 234.324 2.386 50 0 BEAARN CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000041172150 168220738 /nfs/dbraw/zinc/22/07/38/168220738.db2.gz BOKMRUDUFAXMOI-GFCCVEGCSA-N 0 0 237.274 2.136 50 0 BEAARN CCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000038591658 168228133 /nfs/dbraw/zinc/22/81/33/168228133.db2.gz KUCRJYDLVRERGB-UHFFFAOYSA-N 0 0 247.338 2.261 50 0 BEAARN CCC(=O)NCc1noc(-c2cccc(C)c2)n1 ZINC000064814818 168234638 /nfs/dbraw/zinc/23/46/38/168234638.db2.gz FAZOGUZGTZLGJC-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000029278419 168242430 /nfs/dbraw/zinc/24/24/30/168242430.db2.gz DUALXAWNGLRRCV-UHFFFAOYSA-N 0 0 215.256 2.425 50 0 BEAARN CCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000014559639 168245550 /nfs/dbraw/zinc/24/55/50/168245550.db2.gz BJJXANODFXASSQ-UHFFFAOYSA-N 0 0 246.310 2.271 50 0 BEAARN CCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012978111 168245965 /nfs/dbraw/zinc/24/59/65/168245965.db2.gz IUOFTLMIVDYRCR-UHFFFAOYSA-N 0 0 221.256 2.196 50 0 BEAARN CCC(=O)Nc1cccnc1N1CCCC1 ZINC000064553661 168246701 /nfs/dbraw/zinc/24/67/01/168246701.db2.gz NCFYWGGGQQDMLK-UHFFFAOYSA-N 0 0 219.288 2.030 50 0 BEAARN CCC(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000011917210 168247801 /nfs/dbraw/zinc/24/78/01/168247801.db2.gz CJGBICUAMTXNIG-SSDOTTSWSA-N 0 0 208.261 2.148 50 0 BEAARN CCC(=O)Nc1nnc(SC(C)C)s1 ZINC000007321685 168247973 /nfs/dbraw/zinc/24/79/73/168247973.db2.gz UCGIWIAERZHKTR-UHFFFAOYSA-N 0 0 231.346 2.387 50 0 BEAARN CCC(=O)Nc1nc2ccccc2n1CC ZINC000000437933 168248155 /nfs/dbraw/zinc/24/81/55/168248155.db2.gz QGAJQYQUCYXTPP-UHFFFAOYSA-N 0 0 217.272 2.405 50 0 BEAARN CCC(=O)OCc1cccc(N(C)C)c1 ZINC000072295931 168249702 /nfs/dbraw/zinc/24/97/02/168249702.db2.gz DLQKEFUQOASAKO-UHFFFAOYSA-N 0 0 207.273 2.206 50 0 BEAARN CCC(=O)c1c(N2CCCC2)cc(C)oc1=O ZINC000001430489 168253351 /nfs/dbraw/zinc/25/33/51/168253351.db2.gz WBPGKCJUUWCHNZ-UHFFFAOYSA-N 0 0 235.283 2.141 50 0 BEAARN CCC(=O)c1ccc(C2OCCO2)s1 ZINC000043210325 168255567 /nfs/dbraw/zinc/25/55/67/168255567.db2.gz FYYOXUDHMOBVOK-UHFFFAOYSA-N 0 0 212.270 2.386 50 0 BEAARN CCC(C)(C)C(=O)SCCC(=O)OC ZINC000062612314 168270029 /nfs/dbraw/zinc/27/00/29/168270029.db2.gz OSAXTZWRAGDRFI-UHFFFAOYSA-N 0 0 218.318 2.246 50 0 in-vitro BEAARN CCC(C)(C)NC(=O)c1cc(C(C)C)n[nH]1 ZINC000048687927 168296242 /nfs/dbraw/zinc/29/62/42/168296242.db2.gz XWNHCKCDAMRMKD-UHFFFAOYSA-N 0 0 223.320 2.452 50 0 BEAARN CCC(C)(C)NC(=O)c1cn2c(n1)CCCC2 ZINC000075531199 168297824 /nfs/dbraw/zinc/29/78/24/168297824.db2.gz XRZOMYJVXSYYCG-UHFFFAOYSA-N 0 0 235.331 2.138 50 0 BEAARN CCC(C)(C)NS(=O)(=O)c1ccccc1 ZINC000001619652 168300263 /nfs/dbraw/zinc/30/02/63/168300263.db2.gz REOBTHQZMVAVFT-UHFFFAOYSA-N 0 0 227.329 2.154 50 0 BEAARN CCN1C(=S)N2CCCN2[C@H]1c1ccccc1 ZINC000004723845 169949623 /nfs/dbraw/zinc/94/96/23/169949623.db2.gz JQHRJTKBCLYILQ-LBPRGKRZSA-N 0 0 247.367 2.228 50 0 BEAARN CCN1CCN(C(=S)c2cccc(C)c2)CC1 ZINC000009189028 169988046 /nfs/dbraw/zinc/98/80/46/169988046.db2.gz XHZGFYKXIPEWLS-UHFFFAOYSA-N 0 0 248.395 2.308 50 0 BEAARN CC[N@@H+]1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072143256 170009454 /nfs/dbraw/zinc/00/94/54/170009454.db2.gz MNMYMBNZVFMCOL-LBPRGKRZSA-N 0 0 233.311 2.269 50 0 BEAARN CCN1Cc2cc(Cl)ccc2O[C@H](C)C1=O ZINC000064542472 170040886 /nfs/dbraw/zinc/04/08/86/170040886.db2.gz IKFCYGMDWHDCJO-MRVPVSSYSA-N 0 0 239.702 2.469 50 0 BEAARN CCNC(=O)COc1cccc2ccc(C)nc21 ZINC000008428426 170068391 /nfs/dbraw/zinc/06/83/91/170068391.db2.gz QJLVFFCPZFICFV-UHFFFAOYSA-N 0 0 244.294 2.058 50 0 BEAARN CCNC(=O)N(Cc1cccnc1)C(C)C ZINC000068562273 170072811 /nfs/dbraw/zinc/07/28/11/170072811.db2.gz DRTDFAGDVWZYSC-UHFFFAOYSA-N 0 0 221.304 2.022 50 0 BEAARN CCNC(=O)Nc1ccc(F)cc1F ZINC000009113733 170084603 /nfs/dbraw/zinc/08/46/03/170084603.db2.gz JTDPECQQGROKNR-UHFFFAOYSA-N 0 0 200.188 2.106 50 0 BEAARN CCNC(=O)c1cc(Br)ccc1F ZINC000019478212 170100381 /nfs/dbraw/zinc/10/03/81/170100381.db2.gz CSVMOYVJBFMXJX-UHFFFAOYSA-N 0 0 246.079 2.338 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)C2CCC2)c1 ZINC000015022194 170103363 /nfs/dbraw/zinc/10/33/63/170103363.db2.gz GJEPFPQOZRJAOL-UHFFFAOYSA-N 0 0 246.310 2.175 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000013011746 170103737 /nfs/dbraw/zinc/10/37/37/170103737.db2.gz JWMDRRQNALENEU-BXKDBHETSA-N 0 0 246.310 2.031 50 0 BEAARN CCNC(=O)c1ccccc1-c1ccncc1 ZINC000032547866 170103880 /nfs/dbraw/zinc/10/38/80/170103880.db2.gz KKCRWNBYNLPOMU-UHFFFAOYSA-N 0 0 226.279 2.498 50 0 BEAARN CCNC(=O)c1cnn(-c2ccccc2F)c1C ZINC000032903139 170104822 /nfs/dbraw/zinc/10/48/22/170104822.db2.gz UWNUOTCWCUECLP-UHFFFAOYSA-N 0 0 247.273 2.070 50 0 BEAARN CCNC(=O)c1ncoc1-c1cccc(C)c1 ZINC000064556767 170105103 /nfs/dbraw/zinc/10/51/03/170105103.db2.gz JFYYMJJQFDDWMD-UHFFFAOYSA-N 0 0 230.267 2.400 50 0 BEAARN CCNC(=O)c1ncoc1-c1cccs1 ZINC000021641884 170105654 /nfs/dbraw/zinc/10/56/54/170105654.db2.gz UGQJTXQCCRVYBN-UHFFFAOYSA-N 0 0 222.269 2.153 50 0 BEAARN CCNC(=S)Nc1cc(OC)ccc1OC ZINC000001189648 170106854 /nfs/dbraw/zinc/10/68/54/170106854.db2.gz SYIQWIOROPQBTO-UHFFFAOYSA-N 0 0 240.328 2.010 50 0 BEAARN CCNc1ncnc2c1cnn2-c1ccccc1 ZINC000001576825 170177954 /nfs/dbraw/zinc/17/79/54/170177954.db2.gz DPCVGXVTZUOCAZ-UHFFFAOYSA-N 0 0 239.282 2.247 50 0 BEAARN CCNc1ncnc2oc(C)c(C(=O)OCC)c21 ZINC000021880621 170178560 /nfs/dbraw/zinc/17/85/60/170178560.db2.gz YXKSZXIJXUAUET-UHFFFAOYSA-N 0 0 249.270 2.140 50 0 BEAARN CCOC(=O)/C=C(\C)NCc1ccccc1 ZINC000003921090 170182828 /nfs/dbraw/zinc/18/28/28/170182828.db2.gz RWPJUWHLVMMSQO-PKNBQFBNSA-N 0 0 219.284 2.243 50 0 BEAARN CCOC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000002950455 170184357 /nfs/dbraw/zinc/18/43/57/170184357.db2.gz WRTPKIYVZUEXRX-UHFFFAOYSA-N 0 0 241.674 2.150 50 0 BEAARN CCOC(=O)C(=O)c1ccc(C)c(Cl)c1 ZINC000085650770 170184861 /nfs/dbraw/zinc/18/48/61/170184861.db2.gz ZAWZCWYUHGDXHT-UHFFFAOYSA-N 0 0 226.659 2.394 50 0 BEAARN CCOC(=O)C(=O)c1cccc(Cl)c1C ZINC000043504304 170185048 /nfs/dbraw/zinc/18/50/48/170185048.db2.gz OFRIBKRWZGTFCB-UHFFFAOYSA-N 0 0 226.659 2.394 50 0 BEAARN CCOC(=O)C(=O)c1c(C)cc(C)cc1C ZINC000002517091 170185062 /nfs/dbraw/zinc/18/50/62/170185062.db2.gz XRSPPFOBPRPYLD-UHFFFAOYSA-N 0 0 220.268 2.358 50 0 BEAARN CCOC(=O)C(C)(C)Oc1ccc(O)cc1 ZINC000001692803 170187998 /nfs/dbraw/zinc/18/79/98/170187998.db2.gz GYPAUSRXYPLNAP-UHFFFAOYSA-N 0 0 224.256 2.113 50 0 BEAARN CCOC(=O)C(F)(F)c1ccc(F)cc1 ZINC000036533271 170189290 /nfs/dbraw/zinc/18/92/90/170189290.db2.gz QTJOXVLRFWKBMD-UHFFFAOYSA-N 0 0 218.174 2.481 50 0 BEAARN CCOC(=O)CC(=O)Cc1ccccc1Cl ZINC000002518200 170194119 /nfs/dbraw/zinc/19/41/19/170194119.db2.gz ZZYFGEUHEVFLEF-UHFFFAOYSA-N 0 0 240.686 2.405 50 0 BEAARN CCOC(=O)CC(=O)Cc1cccc(C)c1 ZINC000002518214 170194221 /nfs/dbraw/zinc/19/42/21/170194221.db2.gz LCCIUSRDKNOGKA-UHFFFAOYSA-N 0 0 220.268 2.060 50 0 BEAARN CCOC(=O)CC(=O)Nc1ccccc1Cl ZINC000001230865 170197648 /nfs/dbraw/zinc/19/76/48/170197648.db2.gz NQEVGMFFKDDMOB-UHFFFAOYSA-N 0 0 241.674 2.232 50 0 BEAARN CCOC(=O)CCCCCCC(=O)OCC ZINC000001691312 170198665 /nfs/dbraw/zinc/19/86/65/170198665.db2.gz PEUGOJXLBSIJQS-UHFFFAOYSA-N 0 0 230.304 2.453 50 0 BEAARN CCOC(=O)CCC(=O)Nc1cccc(F)c1 ZINC000040160775 170198873 /nfs/dbraw/zinc/19/88/73/170198873.db2.gz ZWRFWBXOKDDUDB-UHFFFAOYSA-N 0 0 239.246 2.108 50 0 BEAARN CCOC(=O)CNc1ccc2c(c1)CCC2 ZINC000020048732 170228054 /nfs/dbraw/zinc/22/80/54/170228054.db2.gz IDCLWTLFGKJVQO-UHFFFAOYSA-N 0 0 219.284 2.150 50 0 BEAARN CCOC(=O)Cc1c(F)cc(F)cc1OC ZINC000259920608 170234987 /nfs/dbraw/zinc/23/49/87/170234987.db2.gz GSELNGADZZVTPL-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1csc(C2CC2)n1 ZINC000087664941 170236249 /nfs/dbraw/zinc/23/62/49/170236249.db2.gz YHBDVRKYHAQYND-UHFFFAOYSA-N 0 0 211.286 2.126 50 0 in-vitro BEAARN CCOC(=O)Cc1nc2ccccc2s1 ZINC000001616355 170237000 /nfs/dbraw/zinc/23/70/00/170237000.db2.gz VYMJUZXFYAREJY-UHFFFAOYSA-N 0 0 221.281 2.402 50 0 BEAARN CCOC(=O)Cn1nc(C)c2c1C[C@H]1[C@@H]2C1(C)C ZINC000000181727 170237979 /nfs/dbraw/zinc/23/79/79/170237979.db2.gz BZXRYLCGBSWIIS-ZANVPECISA-N 0 0 248.326 2.050 50 0 biogenic BEAARN CCOC(=O)NC(=S)c1ccc(OC)cc1 ZINC000000172708 170240929 /nfs/dbraw/zinc/24/09/29/170240929.db2.gz ILQAZYMOMZZXNP-UHFFFAOYSA-N 0 0 239.296 2.117 50 0 BEAARN CCOC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000013329171 170242370 /nfs/dbraw/zinc/24/23/70/170242370.db2.gz IJTKJSIFZMWKKS-QMMMGPOBSA-N 0 0 237.255 2.222 50 0 BEAARN CCOC(=O)Nc1sc(C)cc1C(=O)OC ZINC000013326623 170244629 /nfs/dbraw/zinc/24/46/29/170244629.db2.gz JCURKUIVEAHRSN-UHFFFAOYSA-N 0 0 243.284 2.412 50 0 BEAARN CCOC(=O)[C@@H](C)n1nc(C)c(Cl)c1C ZINC000012399031 170249924 /nfs/dbraw/zinc/24/99/24/170249924.db2.gz OUJTYFQVVDBRPV-MRVPVSSYSA-N 0 0 230.695 2.277 50 0 BEAARN CCOC(=O)[C@H](C)n1nc(C(F)F)cc1C ZINC000002537720 170270687 /nfs/dbraw/zinc/27/06/87/170270687.db2.gz JNEXRLYGHGVPLV-ZETCQYMHSA-N 0 0 232.230 2.253 50 0 BEAARN CCOC(=O)[C@H](CC)n1cc(Cl)cn1 ZINC000002732102 170272848 /nfs/dbraw/zinc/27/28/48/170272848.db2.gz ROQJPCKLXNCURI-QMMMGPOBSA-N 0 0 216.668 2.051 50 0 BEAARN CCOC(=O)[C@H](Cc1ccc(F)cc1)C(C)=O ZINC000001403708 170274103 /nfs/dbraw/zinc/27/41/03/170274103.db2.gz FPUWDEBQJSMTIY-GFCCVEGCSA-N 0 0 238.258 2.137 50 0 BEAARN CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC000035630207 170281070 /nfs/dbraw/zinc/28/10/70/170281070.db2.gz DOYDSCPXUVCTPG-CHWSQXEVSA-N 0 0 233.311 2.433 50 0 BEAARN CCOC(=O)[C@H]1CCc2sc(C)nc21 ZINC000095919681 170282296 /nfs/dbraw/zinc/28/22/96/170282296.db2.gz QHNVVPXKGDMSNM-ZETCQYMHSA-N 0 0 211.286 2.044 50 0 BEAARN CCOC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000000348144 170286610 /nfs/dbraw/zinc/28/66/10/170286610.db2.gz HVEPFPDHFZUVDC-UHFFFAOYSA-N 0 0 223.272 2.265 50 0 BEAARN CCOC(=O)c1c(C)onc1-c1ccncc1 ZINC000039956257 170287816 /nfs/dbraw/zinc/28/78/16/170287816.db2.gz GSXGLVIRHMAEKV-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(=O)c1c(N)sc2c1CCSC2 ZINC000004204636 170289043 /nfs/dbraw/zinc/28/90/43/170289043.db2.gz BUBJJJMGHWCARG-UHFFFAOYSA-N 0 0 243.353 2.296 50 0 aggregator BEAARN CCOC(=O)c1c(O)cc2ccccc2c1O ZINC000000251482 170289226 /nfs/dbraw/zinc/28/92/26/170289226.db2.gz JNVQTZHEEIATCI-UHFFFAOYSA-N 0 0 232.235 2.428 50 0 BEAARN CCOC(=O)c1c(N)n[nH]c1-c1ccc(C)cc1 ZINC000095920271 170289388 /nfs/dbraw/zinc/28/93/88/170289388.db2.gz MPASNNITHWXAJM-UHFFFAOYSA-N 0 0 245.282 2.144 50 0 BEAARN CCOC(=O)c1cnc2ccc(CC)cc2c1O ZINC000009761169 170290088 /nfs/dbraw/zinc/29/00/88/170290088.db2.gz ZFOFJXFVCJQXBL-UHFFFAOYSA-N 0 0 245.278 2.267 50 0 in-vivo BEAARN CCOC(=O)c1cnc2c(Cl)cc[nH]c1-2 ZINC000095644220 170290140 /nfs/dbraw/zinc/29/01/40/170290140.db2.gz IOWKUCBQGBRNHV-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1cc(-c2ccccc2)nn1C ZINC000002520656 170290771 /nfs/dbraw/zinc/29/07/71/170290771.db2.gz JDJQHVJXMXXKFO-UHFFFAOYSA-N 0 0 230.267 2.264 50 0 BEAARN CCOC(=O)c1cc(C(F)(F)F)n(CC)n1 ZINC000012395587 170291445 /nfs/dbraw/zinc/29/14/45/170291445.db2.gz GUIPCTQMTPNQTR-UHFFFAOYSA-N 0 0 236.193 2.099 50 0 BEAARN CCOC(=O)c1cc(C)n(Cc2ccccc2)n1 ZINC000003851844 170291484 /nfs/dbraw/zinc/29/14/84/170291484.db2.gz SKWMMSUYSUVJKJ-UHFFFAOYSA-N 0 0 244.294 2.417 50 0 BEAARN CCOC(=O)c1cc(C(C)=O)ccc1OCC ZINC000000157024 170291718 /nfs/dbraw/zinc/29/17/18/170291718.db2.gz YXLALZDDWWTPFS-UHFFFAOYSA-N 0 0 236.267 2.465 50 0 BEAARN CCOC(=O)c1cc(Cl)ccc1O ZINC000001737601 170292099 /nfs/dbraw/zinc/29/20/99/170292099.db2.gz ATMSMRINTOGATK-UHFFFAOYSA-N 0 0 200.621 2.222 50 0 in-vitro BEAARN CCOC(=O)c1cc2cc(O)ccc2[nH]1 ZINC000002146776 170293887 /nfs/dbraw/zinc/29/38/87/170293887.db2.gz WANAXLMRGYGCPC-UHFFFAOYSA-N 0 0 205.213 2.050 50 0 BEAARN CCOC(=O)c1ccc(C(=O)C(F)(F)F)o1 ZINC000002579846 170295070 /nfs/dbraw/zinc/29/50/70/170295070.db2.gz NCAOGPVUVXZUCU-UHFFFAOYSA-N 0 0 236.145 2.201 50 0 BEAARN CCOC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000195046079 170295913 /nfs/dbraw/zinc/29/59/13/170295913.db2.gz DGWNXZYEOJCMTC-UHFFFAOYSA-N 0 0 206.241 2.374 50 0 BEAARN CCOC(=O)c1ccc2c(c1)nc(C)n2C ZINC000075838637 170297582 /nfs/dbraw/zinc/29/75/82/170297582.db2.gz SVAVKHFAEWFWDR-UHFFFAOYSA-N 0 0 218.256 2.058 50 0 BEAARN CCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1 ZINC000008579456 170297931 /nfs/dbraw/zinc/29/79/31/170297931.db2.gz ZBJWZYUUWDUKMK-UHFFFAOYSA-N 0 0 231.251 2.013 50 0 BEAARN CCOC(=O)c1cccc2nc(N)sc21 ZINC000045235837 170299143 /nfs/dbraw/zinc/29/91/43/170299143.db2.gz JJJDYTDZPDRXCF-UHFFFAOYSA-N 0 0 222.269 2.055 50 0 BEAARN CCOC(=O)c1cccc2c(=O)cc(C)[nH]c12 ZINC000016945293 170299162 /nfs/dbraw/zinc/29/91/62/170299162.db2.gz DAHKJZNNKRXLAJ-UHFFFAOYSA-N 0 0 231.251 2.013 50 0 biogenic BEAARN CCOC(=O)c1cccc([C@H](O)C(F)(F)F)c1 ZINC000306146040 170299572 /nfs/dbraw/zinc/29/95/72/170299572.db2.gz DXGHMRVHEOQVKS-VIFPVBQESA-N 0 0 248.200 2.459 50 0 BEAARN CCOC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000058196807 170300104 /nfs/dbraw/zinc/30/01/04/170300104.db2.gz ZKFYNORVXMUKJL-UHFFFAOYSA-N 0 0 234.230 2.188 50 0 BEAARN CCOC(=O)c1ccoc1CN(CC)CC ZINC000058283251 170300983 /nfs/dbraw/zinc/30/09/83/170300983.db2.gz PQRBLIQYCVZTQR-UHFFFAOYSA-N 0 0 225.288 2.298 50 0 BEAARN CCOC(=O)c1nc2c(s1)NCCCC2 ZINC000038342160 170308398 /nfs/dbraw/zinc/30/83/98/170308398.db2.gz ODLVDOFEZSYSGR-UHFFFAOYSA-N 0 0 226.301 2.068 50 0 BEAARN CCOC(=O)c1sc(OCC)nc1C ZINC000034926214 170310975 /nfs/dbraw/zinc/31/09/75/170310975.db2.gz DLLGPMLSJYMNKL-UHFFFAOYSA-N 0 0 215.274 2.027 50 0 BEAARN CCOC(=O)c1sc(SCC)nc1N ZINC000004343341 170311068 /nfs/dbraw/zinc/31/10/68/170311068.db2.gz QQFOVZZLGIBSET-UHFFFAOYSA-N 0 0 232.330 2.014 50 0 BEAARN CCOC(COc1cccc(OC)c1)OCC ZINC000039260737 170316093 /nfs/dbraw/zinc/31/60/93/170316093.db2.gz DIQWICPLFJEQKG-UHFFFAOYSA-N 0 0 240.299 2.473 50 0 BEAARN CCOC1=CC(=O)N(c2ccc(C)cc2)C1 ZINC000000383255 170320391 /nfs/dbraw/zinc/32/03/91/170320391.db2.gz AUTQNRQIXSHISE-UHFFFAOYSA-N 0 0 217.268 2.262 50 0 BEAARN CCOCC(=O)Nc1ccccc1OCC ZINC000002069467 170349046 /nfs/dbraw/zinc/34/90/46/170349046.db2.gz QZVFBSZRQIKYEE-UHFFFAOYSA-N 0 0 223.272 2.060 50 0 BEAARN CCOCCCNC(=O)Cc1ccccc1C ZINC000045291934 170376718 /nfs/dbraw/zinc/37/67/18/170376718.db2.gz UHRINWNBSGPQRO-UHFFFAOYSA-N 0 0 235.327 2.080 50 0 BEAARN CCOCCCNC(=O)c1cc2ccccc2[nH]1 ZINC000012948637 170379570 /nfs/dbraw/zinc/37/95/70/170379570.db2.gz HSINPUCOFLNSIF-UHFFFAOYSA-N 0 0 246.310 2.324 50 0 BEAARN CCOC[C@H](C)Nc1cnc2c(c1)c(C)nn2C ZINC000097084901 170448601 /nfs/dbraw/zinc/44/86/01/170448601.db2.gz CMKGRVQEMKVTQU-VIFPVBQESA-N 0 0 248.330 2.114 50 0 BEAARN CCOc1ccc(Br)cc1N ZINC000014630928 170536248 /nfs/dbraw/zinc/53/62/48/170536248.db2.gz VVSSUPLMPJIGNN-UHFFFAOYSA-N 0 0 216.078 2.430 50 0 BEAARN CCOc1nc(C)ccc1-c1noc(C)n1 ZINC000000498720 170602559 /nfs/dbraw/zinc/60/25/59/170602559.db2.gz LMXYPVUHASODLK-UHFFFAOYSA-N 0 0 219.244 2.147 50 0 BEAARN CCOc1ncccc1CNC(=O)C=C(C)C ZINC000030309429 170604820 /nfs/dbraw/zinc/60/48/20/170604820.db2.gz AMUJOHMGHHLENZ-UHFFFAOYSA-N 0 0 234.299 2.063 50 0 BEAARN CCSc1nc2ccccc2n1CCO ZINC000000194091 170657904 /nfs/dbraw/zinc/65/79/04/170657904.db2.gz SDQJUCRPCMJJCY-UHFFFAOYSA-N 0 0 222.313 2.141 50 0 BEAARN CC[C@@H](C)C(=O)N[C@H](C)Cc1ccco1 ZINC000040074695 170681951 /nfs/dbraw/zinc/68/19/51/170681951.db2.gz WMPBOUCRBQIJKZ-NXEZZACHSA-N 0 0 209.289 2.373 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000000029288 170741207 /nfs/dbraw/zinc/74/12/07/170741207.db2.gz LLYAYQLHPLJXKR-SNVBAGLBSA-N 0 0 221.300 2.152 50 0 BEAARN CC[C@@H](C)NC(=O)N(CC)Cc1ccncc1 ZINC000013745929 170741849 /nfs/dbraw/zinc/74/18/49/170741849.db2.gz TVZDLZUFVXKRTD-LLVKDONJSA-N 0 0 235.331 2.412 50 0 BEAARN CC[C@@H](C)NC(=O)c1cccc(N(C)C)c1 ZINC000012540378 170748662 /nfs/dbraw/zinc/74/86/62/170748662.db2.gz GYCHCHKCRMYFSB-SNVBAGLBSA-N 0 0 220.316 2.281 50 0 BEAARN CC[C@@H](C)[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005922680 170785401 /nfs/dbraw/zinc/78/54/01/170785401.db2.gz NMRFWXLNHGJLIU-KOLCDFICSA-N 0 0 248.351 2.322 50 0 BEAARN CC[C@@H](C)[C@H](C)C(=O)Nc1cnccc1CO ZINC000225567891 170788045 /nfs/dbraw/zinc/78/80/45/170788045.db2.gz CJQLBDQREONFEK-ZJUUUORDSA-N 0 0 236.315 2.195 50 0 BEAARN CC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000097047195 170837377 /nfs/dbraw/zinc/83/73/77/170837377.db2.gz DYIZHOFSGISING-KBPBESRZSA-N 0 0 247.338 2.067 50 0 BEAARN CC[C@H](C)C(=O)NCCc1cn2ccccc2n1 ZINC000028509098 171250881 /nfs/dbraw/zinc/25/08/81/171250881.db2.gz FFQNVWVVVYDCPS-NSHDSACASA-N 0 0 245.326 2.039 50 0 BEAARN CC[C@H](C)C(=O)N[C@H](C)Cc1ccco1 ZINC000040074696 171253922 /nfs/dbraw/zinc/25/39/22/171253922.db2.gz WMPBOUCRBQIJKZ-VHSXEESVSA-N 0 0 209.289 2.373 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000028502568 171254927 /nfs/dbraw/zinc/25/49/27/171254927.db2.gz VFNDGNYTBJADNA-JTQLQIEISA-N 0 0 248.326 2.373 50 0 BEAARN CC[C@H](C)CC(=O)N1CCOCC1(C)C ZINC000190043297 171258235 /nfs/dbraw/zinc/25/82/35/171258235.db2.gz WYPZEHRCSNVIQC-JTQLQIEISA-N 0 0 213.321 2.060 50 0 BEAARN CC[C@H](C)NC(=O)COc1cccc(F)c1 ZINC000032942954 171327174 /nfs/dbraw/zinc/32/71/74/171327174.db2.gz HFCURTSFYWCXDL-VIFPVBQESA-N 0 0 225.263 2.119 50 0 BEAARN CC[C@H](C)NC(=O)COc1ccccc1C ZINC000005468527 171327709 /nfs/dbraw/zinc/32/77/09/171327709.db2.gz DOMJGBAMPRIMHZ-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN CC[C@H](C)NC(=O)NCCc1ccc(F)cc1 ZINC000013746289 171329196 /nfs/dbraw/zinc/32/91/96/171329196.db2.gz HYPHXZVJXXPVCX-JTQLQIEISA-N 0 0 238.306 2.466 50 0 BEAARN CC[C@H](C)NC(=O)N[C@@H](C)c1ccccn1 ZINC000047576749 171330344 /nfs/dbraw/zinc/33/03/44/171330344.db2.gz VNVNGBCISLEPMA-UWVGGRQHSA-N 0 0 221.304 2.240 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000029402414 171336599 /nfs/dbraw/zinc/33/65/99/171336599.db2.gz PWMHCCVSNRLGBC-NSHDSACASA-N 0 0 243.310 2.401 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(OC)cc1OC ZINC000000288836 171337138 /nfs/dbraw/zinc/33/71/38/171337138.db2.gz INFDYEGHDMXGDI-VIFPVBQESA-N 0 0 237.299 2.232 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc2c(c1)OCCCO2 ZINC000057529488 171337786 /nfs/dbraw/zinc/33/77/86/171337786.db2.gz JKRMHVLPJAVGAR-JTQLQIEISA-N 0 0 249.310 2.376 50 0 BEAARN CC[C@H](C)NC(=O)c1sc2ncccc2c1N ZINC000010011121 171338119 /nfs/dbraw/zinc/33/81/19/171338119.db2.gz MYVPNMUMHFHRHD-ZETCQYMHSA-N 0 0 249.339 2.407 50 0 BEAARN CC[C@H](C)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000075337283 171338541 /nfs/dbraw/zinc/33/85/41/171338541.db2.gz SFXVZPNGLMSQSL-IUCAKERBSA-N 0 0 235.331 2.063 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000013939016 171345456 /nfs/dbraw/zinc/34/54/56/171345456.db2.gz UTOWMFMGBMRCDI-ZETCQYMHSA-N 0 0 249.282 2.042 50 0 BEAARN CC[C@H](OC)C(=O)Nc1cc(C)ccc1F ZINC000058046375 171587701 /nfs/dbraw/zinc/58/77/01/171587701.db2.gz OZRIZCMZCKCPCR-NSHDSACASA-N 0 0 225.263 2.498 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1cccc(N)n1 ZINC000051070427 171606585 /nfs/dbraw/zinc/60/65/85/171606585.db2.gz OAWSRGNZSZTWCA-JTQLQIEISA-N 0 0 233.315 2.069 50 0 BEAARN CCc1c(C)sc(N)c1C(=O)NC1CC1 ZINC000006450369 171742350 /nfs/dbraw/zinc/74/23/50/171742350.db2.gz WVSFMQWIZTZQGP-UHFFFAOYSA-N 0 0 224.329 2.093 50 0 BEAARN CCc1c(N)cnn1-c1ccccc1C ZINC000085634353 171744483 /nfs/dbraw/zinc/74/44/83/171744483.db2.gz UXDDTUSMVJARTC-UHFFFAOYSA-N 0 0 201.273 2.325 50 0 BEAARN CCc1cc2c([nH]c(N3CCCC3)nc2=O)s1 ZINC000008684338 171775567 /nfs/dbraw/zinc/77/55/67/171775567.db2.gz BEDUBZHBHWDQDV-UHFFFAOYSA-N 0 0 249.339 2.147 50 0 BEAARN CCc1ccc(CC)c(N[C@H]2CCN(C)C2=O)c1 ZINC000096459086 171790140 /nfs/dbraw/zinc/79/01/40/171790140.db2.gz UTGZGYJFXNEYBH-ZDUSSCGKSA-N 0 0 246.354 2.454 50 0 BEAARN CCc1cccc(C)c1NS(=O)(=O)CC ZINC000005924389 171854746 /nfs/dbraw/zinc/85/47/46/171854746.db2.gz ZZWJOABBDSRBLB-UHFFFAOYSA-N 0 0 227.329 2.319 50 0 BEAARN CCc1nc2cc(NC(C)=O)ccc2o1 ZINC000048801675 172011449 /nfs/dbraw/zinc/01/14/49/172011449.db2.gz NYFSCRFPXWELFQ-UHFFFAOYSA-N 0 0 204.229 2.349 50 0 BEAARN CCc1nccn1Cc1nc(C(C)C)no1 ZINC000065224670 172028038 /nfs/dbraw/zinc/02/80/38/172028038.db2.gz YKCMHBWSTKNDCL-UHFFFAOYSA-N 0 0 220.276 2.000 50 0 BEAARN CCc1nnc(NC(=O)CC(C)C)s1 ZINC000000344630 172057224 /nfs/dbraw/zinc/05/72/24/172057224.db2.gz ZUIJNZJTCHESKW-UHFFFAOYSA-N 0 0 213.306 2.085 50 0 BEAARN CCc1nnc(CN(C)Cc2ccc(F)cc2)o1 ZINC000069593700 172047443 /nfs/dbraw/zinc/04/74/43/172047443.db2.gz MEVUKVBWKYGMCK-UHFFFAOYSA-N 0 0 249.289 2.403 50 0 BEAARN CCc1nnc(COc2ccc(F)cc2F)o1 ZINC000065586197 172055819 /nfs/dbraw/zinc/05/58/19/172055819.db2.gz ALSLUKPELJKLOJ-UHFFFAOYSA-N 0 0 240.209 2.489 50 0 BEAARN CCc1nnc([C@H]2Cc3ccccc3CN2)o1 ZINC000057214417 172067389 /nfs/dbraw/zinc/06/73/89/172067389.db2.gz WGWLZUXULQNFCP-LLVKDONJSA-N 0 0 229.283 2.019 50 0 BEAARN CCc1nnc2ccc(Br)cn21 ZINC000081991254 172067655 /nfs/dbraw/zinc/06/76/55/172067655.db2.gz FFECVJVIICFPED-UHFFFAOYSA-N 0 0 226.077 2.054 50 0 BEAARN CCc1nnc2c3c4c(sc3ncn12)CCC4 ZINC000004007273 172067977 /nfs/dbraw/zinc/06/79/77/172067977.db2.gz ZBFXSNGLHVRRSQ-UHFFFAOYSA-N 0 0 244.323 2.390 50 0 BEAARN CCc1noc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000040489572 172084820 /nfs/dbraw/zinc/08/48/20/172084820.db2.gz BVDLLUDDKZKNFM-UWVGGRQHSA-N 0 0 223.320 2.110 50 0 BEAARN CCc1nsc(N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000089295485 172105799 /nfs/dbraw/zinc/10/57/99/172105799.db2.gz DUFRWLZIHVFZCS-OCAPTIKFSA-N 0 0 223.345 2.193 50 0 BEAARN CCn1c(-c2ccccc2)nn(CO)c1=S ZINC000000208871 172130760 /nfs/dbraw/zinc/13/07/60/172130760.db2.gz KITDBLWBIWXBRY-UHFFFAOYSA-N 0 0 235.312 2.051 50 0 BEAARN CCn1c2ccccc2nc1-c1ccc(=O)[nH]c1 ZINC000065474547 172130869 /nfs/dbraw/zinc/13/08/69/172130869.db2.gz HDYXGVDHRHNGDN-UHFFFAOYSA-N 0 0 239.278 2.412 50 0 BEAARN CCn1c(C(N)=O)cc2sc(Cl)cc21 ZINC000064551752 172134863 /nfs/dbraw/zinc/13/48/63/172134863.db2.gz ZLMUTXUELKDFAC-UHFFFAOYSA-N 0 0 228.704 2.475 50 0 BEAARN CCn1c(C)c(C)c2cc(C(N)=O)ccc21 ZINC000064551731 172135089 /nfs/dbraw/zinc/13/50/89/172135089.db2.gz ZGUQMBGGSBEQIO-UHFFFAOYSA-N 0 0 216.284 2.377 50 0 BEAARN CCn1cc(-c2nnc3cccc(C)n32)c(C)n1 ZINC000032511795 172150105 /nfs/dbraw/zinc/15/01/05/172150105.db2.gz ULUNQJGPAKWOSX-UHFFFAOYSA-N 0 0 241.298 2.230 50 0 BEAARN CCn1cc(C(=O)NCc2ccccc2)c(C)n1 ZINC000028576579 172155837 /nfs/dbraw/zinc/15/58/37/172155837.db2.gz KKUZTXNOHAKJBV-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1cc(CNC(=O)c2cccc(C)c2)cn1 ZINC000028226254 172168572 /nfs/dbraw/zinc/16/85/72/172168572.db2.gz WFCJZDCCPIFFCD-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1cc(NC(=O)c2occc2C)ccc1=O ZINC000047182150 172183791 /nfs/dbraw/zinc/18/37/91/172183791.db2.gz DUDBIWLVDWBRLX-UHFFFAOYSA-N 0 0 246.266 2.022 50 0 BEAARN CCn1cc(OC(=O)c2ccoc2C)cn1 ZINC000191995750 172189397 /nfs/dbraw/zinc/18/93/97/172189397.db2.gz IHDBEBBHGBESBW-UHFFFAOYSA-N 0 0 220.228 2.024 50 0 BEAARN CCn1ccnc(NCc2ccc(F)cc2)c1=O ZINC000061762260 172211882 /nfs/dbraw/zinc/21/18/82/172211882.db2.gz IMWUBORGYXNUJT-UHFFFAOYSA-N 0 0 247.273 2.014 50 0 BEAARN CCn1ccnc1SCCCn1ccnc1 ZINC000097114225 172228422 /nfs/dbraw/zinc/22/84/22/172228422.db2.gz AZMYJWUTHFICKG-UHFFFAOYSA-N 0 0 236.344 2.282 50 0 BEAARN CCn1cncc1-c1nnc2c(Cl)cccn12 ZINC000032592905 172233735 /nfs/dbraw/zinc/23/37/35/172233735.db2.gz ATVNHRUXEJVLGQ-UHFFFAOYSA-N 0 0 247.689 2.266 50 0 BEAARN CCn1nnnc1SCc1cccc(C)c1 ZINC000032806084 172291389 /nfs/dbraw/zinc/29/13/89/172291389.db2.gz RMUGFNBGIPSDLT-UHFFFAOYSA-N 0 0 234.328 2.294 50 0 BEAARN CCn1nnnc1NCc1ccc(C(C)C)cc1 ZINC000008340043 172292062 /nfs/dbraw/zinc/29/20/62/172292062.db2.gz KTDWVPGNCOUOEH-UHFFFAOYSA-N 0 0 245.330 2.429 50 0 BEAARN CN(C(=O)COC1CCCC1)c1ccccn1 ZINC000071914726 172311867 /nfs/dbraw/zinc/31/18/67/172311867.db2.gz BWJTXCCZYKAZHR-UHFFFAOYSA-N 0 0 234.299 2.004 50 0 BEAARN CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1O ZINC000095942558 172325249 /nfs/dbraw/zinc/32/52/49/172325249.db2.gz SYCPWHUVXAZZPW-VHSXEESVSA-N 0 0 229.320 2.157 50 0 BEAARN CN(C(=O)[C@H]1CC1(F)F)c1ccccc1 ZINC000294225007 172332905 /nfs/dbraw/zinc/33/29/05/172332905.db2.gz KZOXYZHCNMFPLQ-SECBINFHSA-N 0 0 211.211 2.305 50 0 BEAARN CN(C(=O)c1ccncc1)[C@H]1CCOC(C)(C)C1 ZINC000222705683 172344024 /nfs/dbraw/zinc/34/40/24/172344024.db2.gz DLIKZEXDZUCWOR-LBPRGKRZSA-N 0 0 248.326 2.111 50 0 BEAARN CN(C(=O)n1ccnc1)[C@@H]1CCc2ccccc21 ZINC000032779444 172348479 /nfs/dbraw/zinc/34/84/79/172348479.db2.gz ORAJYHYOCZDAOF-CYBMUJFWSA-N 0 0 241.294 2.471 50 0 BEAARN CN(C)/C=C/C(=O)Oc1ccc(Cl)cc1 ZINC000003125179 172349748 /nfs/dbraw/zinc/34/97/48/172349748.db2.gz GQDUYLIWFUZASA-BQYQJAHWSA-N 0 0 225.675 2.321 50 0 BEAARN CN(C)C(=O)CCn1ccc2ccccc21 ZINC000032747757 172362646 /nfs/dbraw/zinc/36/26/46/172362646.db2.gz ZSTLJJJCTQHNHF-UHFFFAOYSA-N 0 0 216.284 2.120 50 0 BEAARN CN(C)C(=O)Cc1ccc2ccccc2c1 ZINC000034481867 172375777 /nfs/dbraw/zinc/37/57/77/172375777.db2.gz WCIJMZDDUAMZOT-UHFFFAOYSA-N 0 0 213.280 2.471 50 0 BEAARN CN(C)C(=O)c1cc(Cl)ccc1F ZINC000041041934 172387663 /nfs/dbraw/zinc/38/76/63/172387663.db2.gz FPFSBNUCCBCPSO-UHFFFAOYSA-N 0 0 201.628 2.181 50 0 BEAARN CN(C)C(=O)c1cc(-c2cccs2)on1 ZINC000058330123 172387433 /nfs/dbraw/zinc/38/74/33/172387433.db2.gz PBXMIMZEIUQZCG-UHFFFAOYSA-N 0 0 222.269 2.105 50 0 BEAARN CN(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000000057047 172390906 /nfs/dbraw/zinc/39/09/06/172390906.db2.gz AVCRBLADHKZIJP-UHFFFAOYSA-N 0 0 217.190 2.407 50 0 BEAARN CN(C)C(=O)c1cccc(OC(F)(F)F)c1 ZINC000104285800 172390942 /nfs/dbraw/zinc/39/09/42/172390942.db2.gz JHYNZPVDPGBRAZ-UHFFFAOYSA-N 0 0 233.189 2.287 50 0 BEAARN CN(C)C(=O)c1coc(-c2ccccc2)n1 ZINC000095399328 172391768 /nfs/dbraw/zinc/39/17/68/172391768.db2.gz IUUBVSUKPWRMQZ-UHFFFAOYSA-N 0 0 216.240 2.043 50 0 BEAARN CN(C)C(=O)c1ccccc1C(F)(F)F ZINC000057027121 172392628 /nfs/dbraw/zinc/39/26/28/172392628.db2.gz OAFRDSSUXAKUIU-UHFFFAOYSA-N 0 0 217.190 2.407 50 0 BEAARN CN(C)C(=O)c1cccnc1SC(F)F ZINC000069625723 172392640 /nfs/dbraw/zinc/39/26/40/172392640.db2.gz PHORWSMHZMPWIY-UHFFFAOYSA-N 0 0 232.255 2.098 50 0 BEAARN CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000000577332 172516784 /nfs/dbraw/zinc/51/67/84/172516784.db2.gz CLDXNGNTFGIVFL-UHFFFAOYSA-N 0 0 235.308 2.090 50 0 BEAARN CN(CC1CCCCC1)C(=O)[C@H]1CCCO1 ZINC000040497916 172660497 /nfs/dbraw/zinc/66/04/97/172660497.db2.gz VYDUBXDLCXUBBC-GFCCVEGCSA-N 0 0 225.332 2.204 50 0 BEAARN CN(Cc1cccnc1Cl)C[C@H]1CCCO1 ZINC000052709434 172886876 /nfs/dbraw/zinc/88/68/76/172886876.db2.gz QQDDZNARCAPBIG-LLVKDONJSA-N 0 0 240.734 2.346 50 0 BEAARN CN1C(=S)S[C@H]2c3ccccc3CCN21 ZINC000000348071 172973366 /nfs/dbraw/zinc/97/33/66/172973366.db2.gz SMDHFGUHDNXTIT-JTQLQIEISA-N 0 0 236.365 2.422 50 0 BEAARN C[N@@H+]1CCC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000075906313 173048706 /nfs/dbraw/zinc/04/87/06/173048706.db2.gz SWOHKJZHILEBHO-JTQLQIEISA-N 0 0 219.284 2.194 50 0 BEAARN CNC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000106896637 173212330 /nfs/dbraw/zinc/21/23/30/173212330.db2.gz BOTHIUZXNHVIOG-RFYUSOLYSA-N 0 0 205.257 2.162 50 0 BEAARN CNC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000031282792 173212663 /nfs/dbraw/zinc/21/26/63/173212663.db2.gz YEBIYCKHVHLBHN-WAYWQWQTSA-N 0 0 229.201 2.465 50 0 BEAARN CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000006304832 173221424 /nfs/dbraw/zinc/22/14/24/173221424.db2.gz JRXMWNXKJMNMSE-UHFFFAOYSA-N 0 0 227.691 2.243 50 0 BEAARN CNC(=O)C1(c2cccc(OC)c2)CCCC1 ZINC000098009556 173222869 /nfs/dbraw/zinc/22/28/69/173222869.db2.gz PSERQAHLIATWOB-UHFFFAOYSA-N 0 0 233.311 2.253 50 0 BEAARN CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000003895414 173232719 /nfs/dbraw/zinc/23/27/19/173232719.db2.gz TWMKVKIJGLSCJT-UHFFFAOYSA-N 0 0 207.317 2.339 50 0 BEAARN CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000057792325 173263674 /nfs/dbraw/zinc/26/36/74/173263674.db2.gz HZFGVRIGRCFKJH-PSASIEDQSA-N 0 0 207.273 2.082 50 0 BEAARN CNC(=O)CCSc1ccc(C)cc1 ZINC000000382495 173263915 /nfs/dbraw/zinc/26/39/15/173263915.db2.gz PSMNGKPGUXXDSA-UHFFFAOYSA-N 0 0 209.314 2.223 50 0 BEAARN CNC(=O)Cc1csc(-c2ccccc2C)n1 ZINC000064554609 173283724 /nfs/dbraw/zinc/28/37/24/173283724.db2.gz JHIHSJUOBJQBGD-UHFFFAOYSA-N 0 0 246.335 2.407 50 0 BEAARN CNC(=O)Cc1nc(-c2cccs2)oc1C ZINC000040487934 173283843 /nfs/dbraw/zinc/28/38/43/173283843.db2.gz LEQSIFIRULIKIP-UHFFFAOYSA-N 0 0 236.296 2.000 50 0 BEAARN CNC(=O)NC(=O)Nc1cc(C)ccc1Cl ZINC000000401770 173287463 /nfs/dbraw/zinc/28/74/63/173287463.db2.gz AYUGQXVBASKAKO-UHFFFAOYSA-N 0 0 241.678 2.109 50 0 BEAARN CNC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000048487578 173291064 /nfs/dbraw/zinc/29/10/64/173291064.db2.gz VUXIVGATQZQWHZ-UHFFFAOYSA-N 0 0 232.205 2.134 50 0 BEAARN CNC(=O)Oc1ccc(SC)c(C)c1 ZINC000000398399 173293381 /nfs/dbraw/zinc/29/33/81/173293381.db2.gz SLZKSCPVPMUGAP-UHFFFAOYSA-N 0 0 211.286 2.435 50 0 BEAARN CNC(=O)Oc1noc2ccc(Cl)cc21 ZINC000000075922 173293637 /nfs/dbraw/zinc/29/36/37/173293637.db2.gz XFMONNHIZYXWEH-UHFFFAOYSA-N 0 0 226.619 2.199 50 0 BEAARN CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000012380553 173295905 /nfs/dbraw/zinc/29/59/05/173295905.db2.gz UXTQEGDCSPEXJY-SNVBAGLBSA-N 0 0 229.279 2.353 50 0 BEAARN CNC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000013708791 173296206 /nfs/dbraw/zinc/29/62/06/173296206.db2.gz DIBHJLCJTHKCOD-SNVBAGLBSA-N 0 0 229.279 2.353 50 0 BEAARN CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000095404069 173300379 /nfs/dbraw/zinc/30/03/79/173300379.db2.gz PNPLLXYCHPWYRE-GXTWGEPZSA-N 0 0 215.296 2.027 50 0 BEAARN CNC(=O)c1c(C)cccc1NC(C)C ZINC000088532751 173309355 /nfs/dbraw/zinc/30/93/55/173309355.db2.gz LTDRXRSEOCLPMI-UHFFFAOYSA-N 0 0 206.289 2.175 50 0 BEAARN CNC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000032999439 173309688 /nfs/dbraw/zinc/30/96/88/173309688.db2.gz FXIGCIYOTGMKEV-UHFFFAOYSA-N 0 0 214.268 2.211 50 0 BEAARN CNC(=O)c1ccc(-c2ccsc2)nc1C ZINC000069594914 173310134 /nfs/dbraw/zinc/31/01/34/173310134.db2.gz XKUHSOOHVJEBCI-UHFFFAOYSA-N 0 0 232.308 2.478 50 0 BEAARN CNC(=O)c1cccc(-c2ccccc2)c1O ZINC000003633256 173311411 /nfs/dbraw/zinc/31/14/11/173311411.db2.gz VRBDDBBBQKMDGF-UHFFFAOYSA-N 0 0 227.263 2.419 50 0 BEAARN CNC(=O)c1cnc(/C=C/c2cccnc2)s1 ZINC000065589869 173313218 /nfs/dbraw/zinc/31/32/18/173313218.db2.gz CCGRYSVRLJIRBA-SNAWJCMRSA-N 0 0 245.307 2.068 50 0 BEAARN CNC(=O)c1csc(CCc2ccccc2)n1 ZINC000069808597 173313972 /nfs/dbraw/zinc/31/39/72/173313972.db2.gz LUOZWJIAGMUDPE-UHFFFAOYSA-N 0 0 246.335 2.288 50 0 BEAARN CNC(=O)c1ncoc1-c1ccc(Cl)cc1 ZINC000000107243 173315211 /nfs/dbraw/zinc/31/52/11/173315211.db2.gz QHPYTLGKEVJFDW-UHFFFAOYSA-N 0 0 236.658 2.355 50 0 BEAARN CNC(=O)n1cc(C)c(-c2cccs2)n1 ZINC000000141284 173316337 /nfs/dbraw/zinc/31/63/37/173316337.db2.gz AVGFLQIWRGVMKE-UHFFFAOYSA-N 0 0 221.285 2.108 50 0 BEAARN CNC(=S)Nc1cccc2c1CCCC2 ZINC000016238113 173316593 /nfs/dbraw/zinc/31/65/93/173316593.db2.gz YABIKMCOFOMDLD-UHFFFAOYSA-N 0 0 220.341 2.482 50 0 BEAARN CNC(=S)Nc1ccccc1Cl ZINC000005132972 173317239 /nfs/dbraw/zinc/31/72/39/173317239.db2.gz HABDCZIEPQRQMT-UHFFFAOYSA-N 0 0 200.694 2.256 50 0 BEAARN CN=C1NN=C(c2ccc(C)cc2C)CS1 ZINC000006114556 173322021 /nfs/dbraw/zinc/32/20/21/173322021.db2.gz UNRLSVAGUSJMSH-UHFFFAOYSA-N 0 0 233.340 2.330 50 0 BEAARN C[NH2+][C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000037181107 173442507 /nfs/dbraw/zinc/44/25/07/173442507.db2.gz MXHDCYQZOMUTHP-QMMMGPOBSA-N 0 0 233.189 2.051 50 0 BEAARN CNc1nc(-c2ccc(OC)c(N)c2)cs1 ZINC000049538580 173485097 /nfs/dbraw/zinc/48/50/97/173485097.db2.gz FACHEXOQTVFKQZ-UHFFFAOYSA-N 0 0 235.312 2.443 50 0 BEAARN CO/C=C\[C@@H]1CC(c2ccccc2)=NO1 ZINC000097371810 173491607 /nfs/dbraw/zinc/49/16/07/173491607.db2.gz XYUGEABQUNDXGM-SKVAFPRGSA-N 0 0 203.241 2.340 50 0 BEAARN COC(=O)CCC(=O)c1ccc(C)cc1 ZINC000000390415 173525372 /nfs/dbraw/zinc/52/53/72/173525372.db2.gz GDNLLWLWRRVVEZ-UHFFFAOYSA-N 0 0 206.241 2.131 50 0 BEAARN COC(=O)Cc1c(F)cccc1Br ZINC000238382258 173640258 /nfs/dbraw/zinc/64/02/58/173640258.db2.gz QXIUUACWTNNJID-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN COC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000041424143 173654408 /nfs/dbraw/zinc/65/44/08/173654408.db2.gz KVWROTRFKNMNCH-JQWIXIFHSA-N 0 0 235.283 2.215 50 0 BEAARN COC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000012382710 173662424 /nfs/dbraw/zinc/66/24/24/173662424.db2.gz MTHBDBPUQKLUDT-UHFFFAOYSA-N 0 0 237.255 2.430 50 0 BEAARN COC(=O)c1cc(Br)cc(OC)c1 ZINC000034611656 173849705 /nfs/dbraw/zinc/84/97/05/173849705.db2.gz RVXGLLDVLYTBGN-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN COC(=O)c1cc(C)nn1Cc1ccccc1 ZINC000038436046 173852420 /nfs/dbraw/zinc/85/24/20/173852420.db2.gz DWXQJYITVKBPAK-UHFFFAOYSA-N 0 0 230.267 2.026 50 0 BEAARN COC(=O)c1ccc(C(C)(C)C)c(N)c1 ZINC000019801644 173870934 /nfs/dbraw/zinc/87/09/34/173870934.db2.gz YTKXSCHMXBZLGF-UHFFFAOYSA-N 0 0 207.273 2.353 50 0 BEAARN COC(=O)c1ccc2nc(C(C)(C)C)cn2c1 ZINC000098210467 173891147 /nfs/dbraw/zinc/89/11/47/173891147.db2.gz QVMQFTWQKYSLPK-UHFFFAOYSA-N 0 0 232.283 2.418 50 0 BEAARN COC(=O)c1csc2cc(O)ccc12 ZINC000095803919 173913447 /nfs/dbraw/zinc/91/34/47/173913447.db2.gz WFOIBEWWFZPKFJ-UHFFFAOYSA-N 0 0 208.238 2.394 50 0 BEAARN COC(=O)c1nc(N)sc1-c1ccccc1 ZINC000000169565 173915364 /nfs/dbraw/zinc/91/53/64/173915364.db2.gz FKNMSTRVGQEASS-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN COC(=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000000528930 173919196 /nfs/dbraw/zinc/91/91/96/173919196.db2.gz YCPQNCSCSPMTOW-UHFFFAOYSA-N 0 0 238.630 2.177 50 0 BEAARN COC(=O)c1sc(Br)nc1C ZINC000039121883 173921900 /nfs/dbraw/zinc/92/19/00/173921900.db2.gz RKVCIABWEOYYOZ-UHFFFAOYSA-N 0 0 236.090 2.001 50 0 BEAARN COC1=CC(=O)OC1=CNc1ccccc1 ZINC000100318289 174013382 /nfs/dbraw/zinc/01/33/82/174013382.db2.gz XVVXYPWJNCVLKQ-FLIBITNWSA-N 0 0 217.224 2.027 50 0 BEAARN COCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000000462553 174040319 /nfs/dbraw/zinc/04/03/19/174040319.db2.gz QXYQGGCDRGQYIC-UHFFFAOYSA-N 0 0 235.327 2.460 50 0 BEAARN COCC(=O)Nc1cc(C(C)=O)ccc1Cl ZINC000083843708 174058143 /nfs/dbraw/zinc/05/81/43/174058143.db2.gz AOAUAPCIXGGEMP-UHFFFAOYSA-N 0 0 241.674 2.128 50 0 BEAARN COCC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000025032201 174059112 /nfs/dbraw/zinc/05/91/12/174059112.db2.gz RXUZTGMRVICAIH-UHFFFAOYSA-N 0 0 248.326 2.180 50 0 BEAARN COCC(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000040510833 174060150 /nfs/dbraw/zinc/06/01/50/174060150.db2.gz LLUZBSAWANCXIC-UHFFFAOYSA-N 0 0 218.256 2.061 50 0 BEAARN COCC(=O)c1ccc(Br)cc1 ZINC000036180137 174062776 /nfs/dbraw/zinc/06/27/76/174062776.db2.gz XHHXDICRIOREOZ-UHFFFAOYSA-N 0 0 229.073 2.278 50 0 BEAARN COCCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004010679 174129362 /nfs/dbraw/zinc/12/93/62/174129362.db2.gz NJLVCPIRKMABFD-UHFFFAOYSA-N 0 0 237.343 2.108 50 0 BEAARN COCCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000096446370 174131267 /nfs/dbraw/zinc/13/12/67/174131267.db2.gz GGQNZUHWIVWBSJ-NEPJUHHUSA-N 0 0 235.327 2.331 50 0 BEAARN COCCC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000096446368 174134886 /nfs/dbraw/zinc/13/48/86/174134886.db2.gz GGQNZUHWIVWBSJ-VXGBXAGGSA-N 0 0 235.327 2.331 50 0 BEAARN COCCC1CCN(C(=O)c2ccco2)CC1 ZINC000065180899 174159045 /nfs/dbraw/zinc/15/90/45/174159045.db2.gz YKLGMIUVOUMVFN-UHFFFAOYSA-N 0 0 237.299 2.168 50 0 BEAARN COCCCNC(=O)Cc1cccc(Cl)c1 ZINC000067899735 174240387 /nfs/dbraw/zinc/24/03/87/174240387.db2.gz OZWZVSZGIYVEGE-UHFFFAOYSA-N 0 0 241.718 2.035 50 0 BEAARN COCCCNC(=O)Nc1cc(C)ccc1F ZINC000040526376 174242412 /nfs/dbraw/zinc/24/24/12/174242412.db2.gz VTLUNFLCTPYARQ-UHFFFAOYSA-N 0 0 240.278 2.292 50 0 BEAARN COCCCNC(=O)c1ccc(Cl)cc1 ZINC000002678354 174245369 /nfs/dbraw/zinc/24/53/69/174245369.db2.gz FGIHTPCOLXZXJR-UHFFFAOYSA-N 0 0 227.691 2.106 50 0 BEAARN COCCCNC(=S)N1[C@H](C)CCC[C@H]1C ZINC000002770894 174246361 /nfs/dbraw/zinc/24/63/61/174246361.db2.gz YIJYNRMUUBIRAZ-GHMZBOCLSA-N 0 0 244.404 2.160 50 0 BEAARN COCCCNc1ccc(Br)cn1 ZINC000036926681 174252102 /nfs/dbraw/zinc/25/21/02/174252102.db2.gz HHNYDNCKLGPDQJ-UHFFFAOYSA-N 0 0 245.120 2.293 50 0 BEAARN COCCCNc1cnc2ccccc2n1 ZINC000040489112 174252334 /nfs/dbraw/zinc/25/23/34/174252334.db2.gz CLQKPKIBSBIQSU-UHFFFAOYSA-N 0 0 217.272 2.078 50 0 BEAARN COCCCNc1ncnc2ccc(C)cc21 ZINC000001774698 174252875 /nfs/dbraw/zinc/25/28/75/174252875.db2.gz PUVCHUFJWGUBOC-UHFFFAOYSA-N 0 0 231.299 2.387 50 0 BEAARN COCCCSCC(=O)N1CCCC[C@@H]1C ZINC000187929133 174258958 /nfs/dbraw/zinc/25/89/58/174258958.db2.gz ROVDPODVKKKGAM-NSHDSACASA-N 0 0 245.388 2.157 50 0 BEAARN COCCN(C(=O)c1ccncc1)C1CCCC1 ZINC000045511651 174269618 /nfs/dbraw/zinc/26/96/18/174269618.db2.gz ALLLMMPJJDPMDQ-UHFFFAOYSA-N 0 0 248.326 2.113 50 0 BEAARN COCCN(C)Cc1nc2ccccc2s1 ZINC000053402556 174281056 /nfs/dbraw/zinc/28/10/56/174281056.db2.gz JOWZBICFIJMKSQ-UHFFFAOYSA-N 0 0 236.340 2.375 50 0 BEAARN COCCN(Cc1ccccc1)c1ncns1 ZINC000133503618 174298775 /nfs/dbraw/zinc/29/87/75/174298775.db2.gz MJLWSWBJKKNPOT-UHFFFAOYSA-N 0 0 249.339 2.191 50 0 BEAARN COCCN(Cc1ccco1)C(=O)CC(C)C ZINC000045417017 174301425 /nfs/dbraw/zinc/30/14/25/174301425.db2.gz LXNORKDSAPPPLX-UHFFFAOYSA-N 0 0 239.315 2.301 50 0 BEAARN COCCN(Cc1cscn1)CC(C)C ZINC000069452655 174301600 /nfs/dbraw/zinc/30/16/00/174301600.db2.gz AWYFWRKCMQZGMO-UHFFFAOYSA-N 0 0 228.361 2.248 50 0 BEAARN COCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000002903697 174319288 /nfs/dbraw/zinc/31/92/88/174319288.db2.gz OCAIEAJZBCJFSY-QPJJXVBHSA-N 0 0 239.702 2.116 50 0 BEAARN COCCNC(=O)C[C@H](C)C1CCCCC1 ZINC000065550950 174321756 /nfs/dbraw/zinc/32/17/56/174321756.db2.gz OJYSBOMJZZIINS-NSHDSACASA-N 0 0 227.348 2.356 50 0 BEAARN COCCNC(=O)Nc1cc(Cl)ccc1F ZINC000043528335 174325596 /nfs/dbraw/zinc/32/55/96/174325596.db2.gz QHYVLMXDJSXNDT-UHFFFAOYSA-N 0 0 246.669 2.247 50 0 BEAARN COCCNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000012945355 174326105 /nfs/dbraw/zinc/32/61/05/174326105.db2.gz XLQUGXMHHDOLRP-UHFFFAOYSA-N 0 0 242.706 2.416 50 0 BEAARN COCCNc1cc(C)c(Br)cn1 ZINC000042783949 174340856 /nfs/dbraw/zinc/34/08/56/174340856.db2.gz PRVWFINPLYPGCB-UHFFFAOYSA-N 0 0 245.120 2.211 50 0 BEAARN COCCNc1nc(CC(C)C)cs1 ZINC000096459105 174341645 /nfs/dbraw/zinc/34/16/45/174341645.db2.gz XZYIDTIAMGKXSZ-UHFFFAOYSA-N 0 0 214.334 2.400 50 0 BEAARN COCCOc1cc(F)ccc1C(C)=O ZINC000062747896 174367864 /nfs/dbraw/zinc/36/78/64/174367864.db2.gz MGROEWPATJKRCH-UHFFFAOYSA-N 0 0 212.220 2.054 50 0 BEAARN COCCSCc1ccsc1C(=O)OC ZINC000096465977 174376126 /nfs/dbraw/zinc/37/61/26/174376126.db2.gz HKAGOFZTDMIHET-UHFFFAOYSA-N 0 0 246.353 2.414 50 0 BEAARN COCCSc1ccc(-c2ccncc2)nn1 ZINC000036652428 174376332 /nfs/dbraw/zinc/37/63/32/174376332.db2.gz BGKCSZNKCQJFIQ-UHFFFAOYSA-N 0 0 247.323 2.277 50 0 BEAARN COCSc1ncnc2sccc21 ZINC000032945199 174433278 /nfs/dbraw/zinc/43/32/78/174433278.db2.gz YFVLHGXCUKXDOA-UHFFFAOYSA-N 0 0 212.299 2.387 50 0 BEAARN COC[C@H](C)OC(=O)c1ccc(OC)cc1C ZINC000096442114 174553435 /nfs/dbraw/zinc/55/34/35/174553435.db2.gz KFBUQMOTKWPCJZ-JTQLQIEISA-N 0 0 238.283 2.195 50 0 BEAARN COCc1ccccc1NC(=O)NC1CC1 ZINC000046033244 174635140 /nfs/dbraw/zinc/63/51/40/174635140.db2.gz UPLYWGOXEOSMQM-UHFFFAOYSA-N 0 0 220.272 2.117 50 0 BEAARN COCc1ccccc1NC(=O)NCC1CC1 ZINC000046033338 174635403 /nfs/dbraw/zinc/63/54/03/174635403.db2.gz MXGSYNHPTMGJEQ-UHFFFAOYSA-N 0 0 234.299 2.365 50 0 BEAARN COCc1nc(C)cc(N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000080695782 174639801 /nfs/dbraw/zinc/63/98/01/174639801.db2.gz FCSNQOWLKQPSKM-PHIMTYICSA-N 0 0 247.342 2.024 50 0 BEAARN CON(C)c1ncnc2sc3c(c21)CCC3 ZINC000007978991 174661367 /nfs/dbraw/zinc/66/13/67/174661367.db2.gz HJVFTPJYLSEVHK-UHFFFAOYSA-N 0 0 235.312 2.178 50 0 BEAARN CO[C@@H](CNC(C)=O)c1ccc(Cl)s1 ZINC000225699616 174731678 /nfs/dbraw/zinc/73/16/78/174731678.db2.gz BFBVZDQHZQZJCU-ZETCQYMHSA-N 0 0 233.720 2.225 50 0 BEAARN CO[C@H](C)C(=O)Nc1cc(F)ccc1C(C)=O ZINC000097107037 174807883 /nfs/dbraw/zinc/80/78/83/174807883.db2.gz TZYUVWMUFCRUEK-MRVPVSSYSA-N 0 0 239.246 2.002 50 0 BEAARN CO[C@H]1CCCC[C@H]1OC(=O)C1CCC1 ZINC000097404915 174876446 /nfs/dbraw/zinc/87/64/46/174876446.db2.gz VUTNEPGKFVOBSS-WDEREUQCSA-N 0 0 212.289 2.287 50 0 BEAARN COc1c2ccoc2cc(O)c1C(C)=O ZINC000013560647 174919162 /nfs/dbraw/zinc/91/91/62/174919162.db2.gz JGNYBYBMPAOPJD-UHFFFAOYSA-N 0 0 206.197 2.350 50 0 BEAARN COc1c(C)cc(-c2cnc(N)nc2)cc1C ZINC000032533026 174920051 /nfs/dbraw/zinc/92/00/51/174920051.db2.gz PTMSMXAVBYKGCD-UHFFFAOYSA-N 0 0 229.283 2.351 50 0 BEAARN COc1cc2c(C)c(CO)[nH]c2c(C)c1 ZINC000096029617 174963842 /nfs/dbraw/zinc/96/38/42/174963842.db2.gz HDEDYRWOJQBDHM-UHFFFAOYSA-N 0 0 205.257 2.286 50 0 BEAARN COc1cc(C=O)ccc1Br ZINC000038882177 174977116 /nfs/dbraw/zinc/97/71/16/174977116.db2.gz HKLCOMKRVBQSHA-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccn1 ZINC000012539691 174982125 /nfs/dbraw/zinc/98/21/25/174982125.db2.gz LZUISMOFPUQCMO-LLVKDONJSA-N 0 0 246.310 2.063 50 0 BEAARN COc1cc(O)cc(OC(F)(F)F)c1 ZINC000097758356 175005586 /nfs/dbraw/zinc/00/55/86/175005586.db2.gz VRUDFUJUBOSJFC-UHFFFAOYSA-N 0 0 208.135 2.299 50 0 BEAARN COc1cc(OC)c(Br)c(OC)c1 ZINC000000038585 175006352 /nfs/dbraw/zinc/00/63/52/175006352.db2.gz BPWYNWSOQOXOPI-UHFFFAOYSA-N 0 0 247.088 2.475 50 0 BEAARN COc1cc2[nH]ccc2c(OC)c1OC ZINC000002564148 175018602 /nfs/dbraw/zinc/01/86/02/175018602.db2.gz FNWFSPKNRALFKC-UHFFFAOYSA-N 0 0 207.229 2.194 50 0 BEAARN COc1cc2c(cc1OC)[C@H](C)N(C(C)=O)CC2 ZINC000000247688 175025586 /nfs/dbraw/zinc/02/55/86/175025586.db2.gz GGONZGHKXHEOPW-VIFPVBQESA-N 0 0 249.310 2.169 50 0 BEAARN COc1cc2cnnc(Cl)c2cc1OC ZINC000066347621 175027074 /nfs/dbraw/zinc/02/70/74/175027074.db2.gz DSFKIBHRGIYRNZ-UHFFFAOYSA-N 0 0 224.647 2.300 50 0 BEAARN COc1cc2cnc(Cl)nc2cc1OC ZINC000002182060 175027213 /nfs/dbraw/zinc/02/72/13/175027213.db2.gz KIAYGSLXVNBIFE-UHFFFAOYSA-N 0 0 224.647 2.300 50 0 BEAARN COc1ccc(-c2cc(C(=O)N(C)C)no2)cc1 ZINC000022319542 175030552 /nfs/dbraw/zinc/03/05/52/175030552.db2.gz YGMDETKAEKUMGN-UHFFFAOYSA-N 0 0 246.266 2.052 50 0 BEAARN COc1ccc(-c2cc(N(C)C)ncn2)cc1F ZINC000097766724 175031483 /nfs/dbraw/zinc/03/14/83/175031483.db2.gz SSEUFNVPSIXDMH-UHFFFAOYSA-N 0 0 247.273 2.357 50 0 BEAARN COc1ccc(-c2cc(N)c(C(N)=O)s2)cc1 ZINC000000081914 175031583 /nfs/dbraw/zinc/03/15/83/175031583.db2.gz OEUITKOCUWEFOB-UHFFFAOYSA-N 0 0 248.307 2.105 50 0 BEAARN COc1ccc(-c2cc(N)nc3[nH]ccc32)cn1 ZINC000072129044 175031767 /nfs/dbraw/zinc/03/17/67/175031767.db2.gz BLMYSYMJGDYRPX-UHFFFAOYSA-N 0 0 240.266 2.216 50 0 BEAARN COc1ccc(-c2ccc(N)nc2)c(OC)c1 ZINC000052886416 175033789 /nfs/dbraw/zinc/03/37/89/175033789.db2.gz IDFMNEXVLSXXGB-UHFFFAOYSA-N 0 0 230.267 2.348 50 0 BEAARN COc1ccc(-c2ccnc(CO)c2)c(OC)c1 ZINC000065397135 175036209 /nfs/dbraw/zinc/03/62/09/175036209.db2.gz NJUNLWHKWVVIME-UHFFFAOYSA-N 0 0 245.278 2.258 50 0 BEAARN COc1ccc(-c2csc(=NN)[nH]2)cc1 ZINC000002578443 175037507 /nfs/dbraw/zinc/03/75/07/175037507.db2.gz QBSBVOHLMZHINL-UHFFFAOYSA-N 0 0 221.285 2.104 50 0 BEAARN COc1ccc(-c2nnc(SC)o2)cc1 ZINC000000416264 175042305 /nfs/dbraw/zinc/04/23/05/175042305.db2.gz KSAQYQYMAIEAGV-UHFFFAOYSA-N 0 0 222.269 2.467 50 0 BEAARN COc1ccc(-n2cnc(Cl)c2CO)cc1 ZINC000069949500 175044697 /nfs/dbraw/zinc/04/46/97/175044697.db2.gz SRSMGTNTATUPEO-UHFFFAOYSA-N 0 0 238.674 2.027 50 0 BEAARN COc1ccc(-n2nc(C3CC3)cc2N)cc1 ZINC000012396066 175044729 /nfs/dbraw/zinc/04/47/29/175044729.db2.gz XLCAVNCSTMDNAP-UHFFFAOYSA-N 0 0 229.283 2.341 50 0 BEAARN COc1ccc(C=Cc2ccc(=O)[nH]n2)cc1 ZINC000008577836 175047992 /nfs/dbraw/zinc/04/79/92/175047992.db2.gz UVMVSZYSDAZBBI-GORDUTHDSA-N 0 0 228.251 2.361 50 0 BEAARN COc1ccc(/C=C2/N=C(C)OC2=O)cc1 ZINC000000070568 175048408 /nfs/dbraw/zinc/04/84/08/175048408.db2.gz NRQHBNNTBIDSRK-YRNVUSSQSA-N 0 0 217.224 2.011 50 0 BEAARN COc1ccc(Br)cc1C(N)=S ZINC000002654064 175051447 /nfs/dbraw/zinc/05/14/47/175051447.db2.gz DYGLWRWIOCXYPI-UHFFFAOYSA-N 0 0 246.129 2.092 50 0 BEAARN COc1ccc(C(=O)N(C)OC)c2ccccc12 ZINC000040463075 175054405 /nfs/dbraw/zinc/05/44/05/175054405.db2.gz GOTKIEUNJSXBIJ-UHFFFAOYSA-N 0 0 245.278 2.482 50 0 BEAARN COc1ccc(C(=O)N2CCCCC2)c(F)c1 ZINC000032736094 175056327 /nfs/dbraw/zinc/05/63/27/175056327.db2.gz MSEMLJGDVMRUMC-UHFFFAOYSA-N 0 0 237.274 2.460 50 0 BEAARN COc1ccc(C(=O)NC(C)C)cc1C ZINC000009063938 175058736 /nfs/dbraw/zinc/05/87/36/175058736.db2.gz MIXVNNFWJNYQME-UHFFFAOYSA-N 0 0 207.273 2.142 50 0 BEAARN COc1ccc(C(=O)NCC(C)C)cc1OC ZINC000000361706 175059055 /nfs/dbraw/zinc/05/90/55/175059055.db2.gz VBWABQJMGFHEJR-UHFFFAOYSA-N 0 0 237.299 2.090 50 0 BEAARN COc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000000128505 175063691 /nfs/dbraw/zinc/06/36/91/175063691.db2.gz UZFNEWHJUPYYSZ-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccc(C(C)(C)C(=O)N(C)C)cc1 ZINC000041500613 175066822 /nfs/dbraw/zinc/06/68/22/175066822.db2.gz GPIDDFHPWOICAK-UHFFFAOYSA-N 0 0 221.300 2.061 50 0 BEAARN COc1ccc(C(=O)c2cccs2)cn1 ZINC000043210666 175066911 /nfs/dbraw/zinc/06/69/11/175066911.db2.gz ZOQUWRLALCZFPX-UHFFFAOYSA-N 0 0 219.265 2.383 50 0 BEAARN COc1ccc(C)cc1C(=O)Nc1nncs1 ZINC000021214812 175073664 /nfs/dbraw/zinc/07/36/64/175073664.db2.gz VFEDLQTUINOWHJ-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccc(C)cc1Cn1ccccc1=O ZINC000039981977 175076613 /nfs/dbraw/zinc/07/66/13/175076613.db2.gz MDFVLBQSADRCAF-UHFFFAOYSA-N 0 0 229.279 2.214 50 0 BEAARN COc1ccc(C)cc1NC(=O)c1ccno1 ZINC000006584937 175077823 /nfs/dbraw/zinc/07/78/23/175077823.db2.gz UVGLIXOHCBBKLS-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccc(C=O)c2c(O)cccc12 ZINC000005358419 175086364 /nfs/dbraw/zinc/08/63/64/175086364.db2.gz BSFMYIOMZCUJBD-UHFFFAOYSA-N 0 0 202.209 2.367 50 0 BEAARN COc1ccc(C=O)cc1OCc1ccccn1 ZINC000013536157 175086670 /nfs/dbraw/zinc/08/66/70/175086670.db2.gz FAWIBOZHABPVMM-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN COc1ccc(C=O)cc1OCc1cccnc1 ZINC000014001378 175086676 /nfs/dbraw/zinc/08/66/76/175086676.db2.gz PTCKCSITOQANNI-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN COc1ccc(CC(=O)Nc2nccs2)cc1 ZINC000000253385 175087371 /nfs/dbraw/zinc/08/73/71/175087371.db2.gz SPAPWVUPZKTBMH-UHFFFAOYSA-N 0 0 248.307 2.333 50 0 in-vivo BEAARN COc1ccc(CNC(=O)c2ccsc2)cn1 ZINC000010991279 175105267 /nfs/dbraw/zinc/10/52/67/175105267.db2.gz YRTLFIXFXQZKAX-UHFFFAOYSA-N 0 0 248.307 2.082 50 0 BEAARN COc1ccc(Cl)cc1-c1ccnc(N)n1 ZINC000071546823 175119681 /nfs/dbraw/zinc/11/96/81/175119681.db2.gz LDDXQGSJJYTKNA-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN COc1ccc(NC(=O)CC(C)(C)C)cn1 ZINC000017296595 175141565 /nfs/dbraw/zinc/14/15/65/175141565.db2.gz XQYWIDNAKYVBMY-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN COc1ccc([C@H](O)C(F)(F)F)cc1 ZINC000000282005 175193445 /nfs/dbraw/zinc/19/34/45/175193445.db2.gz MCAYQVHHKRKRLD-QMMMGPOBSA-N 0 0 206.163 2.291 50 0 BEAARN COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1OC ZINC000012971311 175147122 /nfs/dbraw/zinc/14/71/22/175147122.db2.gz CDEZZXYETAIBRE-SCZZXKLOSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NC(=O)c2cscn2)c(C)n1 ZINC000089537033 175148129 /nfs/dbraw/zinc/14/81/29/175148129.db2.gz RMOGWQQSUYLCAO-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccc(NC(C)=O)c2cccnc12 ZINC000048947989 175148170 /nfs/dbraw/zinc/14/81/70/175148170.db2.gz KWNUXFMYAIYFKT-UHFFFAOYSA-N 0 0 216.240 2.202 50 0 BEAARN COc1ccc(NC(C)=O)cc1NC(=O)C1CC1 ZINC000006262383 175148703 /nfs/dbraw/zinc/14/87/03/175148703.db2.gz HQCWJISDXISJSJ-UHFFFAOYSA-N 0 0 248.282 2.002 50 0 BEAARN COc1ccc(NC2=NCCS2)cc1OC ZINC000003228258 175149929 /nfs/dbraw/zinc/14/99/29/175149929.db2.gz VYBBZPLTWFVJQI-UHFFFAOYSA-N 0 0 238.312 2.219 50 0 BEAARN COc1ccc(Nc2cnccn2)cc1 ZINC000021367699 175156659 /nfs/dbraw/zinc/15/66/59/175156659.db2.gz AZDBABVGXUPDTO-UHFFFAOYSA-N 0 0 201.229 2.229 50 0 BEAARN COc1ccc(OC)c(C(=O)NC2CCCC2)c1 ZINC000023143292 175164335 /nfs/dbraw/zinc/16/43/35/175164335.db2.gz MTDKOCYNWUELPP-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN COc1ccc(OC)c(Br)c1 ZINC000000056597 175164856 /nfs/dbraw/zinc/16/48/56/175164856.db2.gz DWCGNRKFLRLWCJ-UHFFFAOYSA-N 0 0 217.062 2.466 50 0 BEAARN COc1ccc(OC)c(OC)c1Br ZINC000250591411 175167093 /nfs/dbraw/zinc/16/70/93/175167093.db2.gz YILXMCZRFFBXFX-UHFFFAOYSA-N 0 0 247.088 2.475 50 0 BEAARN COc1ccc([C@@H]2SCC(=O)N2C2CC2)cc1 ZINC000019926905 175186122 /nfs/dbraw/zinc/18/61/22/175186122.db2.gz LFCBYPLPSCPFNK-ZDUSSCGKSA-N 0 0 249.335 2.432 50 0 BEAARN COc1ccc([C@H]([NH3+])CC(=O)[O-])c2ccccc12 ZINC000002578345 175191334 /nfs/dbraw/zinc/19/13/34/175191334.db2.gz OPRZIKIUFPFNQS-GFCCVEGCSA-N 0 0 245.278 2.323 50 0 biogenic BEAARN COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)[O-])cc1 ZINC000237277162 175194438 /nfs/dbraw/zinc/19/44/38/175194438.db2.gz KHPBXAPMYRSOFF-CYBMUJFWSA-N 0 0 249.310 2.307 50 0 BEAARN COc1ccc([C@H]2N[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000095644401 175199413 /nfs/dbraw/zinc/19/94/13/175199413.db2.gz XNTGFDXDTMAHJN-NEPJUHHUSA-N 0 0 249.310 2.050 50 0 BEAARN COc1ccc2c(c1)OC(C)(C)CC2=O ZINC000000163342 175212515 /nfs/dbraw/zinc/21/25/15/175212515.db2.gz QXKXYXNEOUCMIY-UHFFFAOYSA-N 0 0 206.241 2.439 50 0 BEAARN COc1ccc2c(c1)OCCC[C@H]2NC(C)=O ZINC000094992634 175212784 /nfs/dbraw/zinc/21/27/84/175212784.db2.gz SFKVWTHLMQTRCF-GFCCVEGCSA-N 0 0 235.283 2.045 50 0 BEAARN COc1ccc2cc(C(C)=O)c(=O)oc2c1 ZINC000002471358 175224079 /nfs/dbraw/zinc/22/40/79/175224079.db2.gz HJRFKKRMCGZIOA-UHFFFAOYSA-N 0 0 218.208 2.004 50 0 biogenic BEAARN COc1ccc2c3c(cccc13)OCC2=O ZINC000000226429 175224106 /nfs/dbraw/zinc/22/41/06/175224106.db2.gz KVPRXRDYPPIHTA-UHFFFAOYSA-N 0 0 214.220 2.424 50 0 biogenic BEAARN COc1ccc2[nH]c(SCC(C)=O)nc2c1 ZINC000005283406 175228891 /nfs/dbraw/zinc/22/88/91/175228891.db2.gz ZURAZIRAKZEYBN-UHFFFAOYSA-N 0 0 236.296 2.253 50 0 BEAARN COc1ccc2nnc(-c3ccc(C)cc3)n2n1 ZINC000009341391 175230402 /nfs/dbraw/zinc/23/04/02/175230402.db2.gz DKNPRWOWJHLSFR-UHFFFAOYSA-N 0 0 240.266 2.108 50 0 BEAARN COc1ccc2ncc(OC(C)=O)cc2c1 ZINC000000431679 175230434 /nfs/dbraw/zinc/23/04/34/175230434.db2.gz KVTRRQURNVWFQB-UHFFFAOYSA-N 0 0 217.224 2.169 50 0 BEAARN COc1cccc(-c2cc(=O)[nH]c(=S)[nH]2)c1 ZINC000019942596 175233603 /nfs/dbraw/zinc/23/36/03/175233603.db2.gz NKGFCNNAZAKQTQ-UHFFFAOYSA-N 0 0 234.280 2.108 50 0 BEAARN COc1cccc(C(=O)NCc2cccnc2)c1 ZINC000000284708 175245500 /nfs/dbraw/zinc/24/55/00/175245500.db2.gz SSXFPDBNPYQTFC-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 biogenic BEAARN COc1cccc(C(=O)OCC2CC2)c1OC ZINC000078411310 175246383 /nfs/dbraw/zinc/24/63/83/175246383.db2.gz TXLFPFRPFIHJSD-UHFFFAOYSA-N 0 0 236.267 2.271 50 0 BEAARN COc1cccc(C(=O)Nc2ccncc2)c1 ZINC000000327312 175246478 /nfs/dbraw/zinc/24/64/78/175246478.db2.gz WRSDCKISYVXLFH-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1cccc(C[S@@](=O)CCC(C)C)n1 ZINC000163643848 175272382 /nfs/dbraw/zinc/27/23/82/175272382.db2.gz NJQCWTPFFRHZSM-MRXNPFEDSA-N 0 0 241.356 2.385 50 0 BEAARN COc1cccc(Cc2csc(N)n2)c1 ZINC000041233999 175272615 /nfs/dbraw/zinc/27/26/15/175272615.db2.gz YPORUQRPXPDBTO-UHFFFAOYSA-N 0 0 220.297 2.325 50 0 BEAARN COc1cccc(NCc2cnccn2)c1 ZINC000054765539 175279492 /nfs/dbraw/zinc/27/94/92/175279492.db2.gz ISMQYTIMVUYFDZ-UHFFFAOYSA-N 0 0 215.256 2.097 50 0 BEAARN COc1cccc2[nH]c(C(=O)n3ccnc3)cc21 ZINC000013692708 175297613 /nfs/dbraw/zinc/29/76/13/175297613.db2.gz KVCZCNUNOCVNIE-UHFFFAOYSA-N 0 0 241.250 2.062 50 0 BEAARN COc1cccc2[nH]cc(CC(C)=O)c21 ZINC000020269427 175297661 /nfs/dbraw/zinc/29/76/61/175297661.db2.gz MJQQULLLIRFJLB-UHFFFAOYSA-N 0 0 203.241 2.308 50 0 BEAARN COc1cccc2c1OCC(C(=O)OC(C)C)=C2 ZINC000001388086 175303910 /nfs/dbraw/zinc/30/39/10/175303910.db2.gz XVDZNOUJUOIJQY-UHFFFAOYSA-N 0 0 248.278 2.423 50 0 BEAARN COc1ccccc1-n1nc(C)nc1CSC ZINC000095511090 175313328 /nfs/dbraw/zinc/31/33/28/175313328.db2.gz NPLGCWFFUVGTSF-UHFFFAOYSA-N 0 0 249.339 2.447 50 0 BEAARN COc1ccccc1C(=O)NC(C)(C)C ZINC000003093852 175317485 /nfs/dbraw/zinc/31/74/85/175317485.db2.gz BFNXGIIMWANIAJ-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN COc1ccccc1C(=O)Nc1cc(C)on1 ZINC000000369265 175319191 /nfs/dbraw/zinc/31/91/91/175319191.db2.gz CZRFSOMAFPCTTN-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccccc1C(=O)n1nc(C)cc1C ZINC000000207405 175320231 /nfs/dbraw/zinc/32/02/31/175320231.db2.gz HZLIVQRRDFSWGO-UHFFFAOYSA-N 0 0 230.267 2.197 50 0 BEAARN COc1ccccc1CC(=O)C(F)(F)F ZINC000002518008 175320489 /nfs/dbraw/zinc/32/04/89/175320489.db2.gz ZDZLVZWUKCNACS-UHFFFAOYSA-N 0 0 218.174 2.369 50 0 BEAARN COc1ccccc1CCNc1ncccn1 ZINC000032104104 175323266 /nfs/dbraw/zinc/32/32/66/175323266.db2.gz ATAMXRUHXIXDGA-UHFFFAOYSA-N 0 0 229.283 2.140 50 0 BEAARN COc1ccccc1CNCc1ccccn1 ZINC000000293061 175329729 /nfs/dbraw/zinc/32/97/29/175329729.db2.gz GOBXDYYANOXDAQ-UHFFFAOYSA-N 0 0 228.295 2.380 50 0 BEAARN COc1ccccc1NC(=O)c1cnoc1C ZINC000000384969 175337007 /nfs/dbraw/zinc/33/70/07/175337007.db2.gz ZTEPSTCCYOMPOL-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccccc1NC(=O)c1cc(C)on1 ZINC000000392097 175337120 /nfs/dbraw/zinc/33/71/20/175337120.db2.gz KQNMGYXVNKWEMQ-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccccc1NC(=O)c1snnc1C ZINC000000385508 175337218 /nfs/dbraw/zinc/33/72/18/175337218.db2.gz FHWXGYMNCQHSLD-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccccc1[C@H](C)NC(=O)C1CC1 ZINC000019935141 175350714 /nfs/dbraw/zinc/35/07/14/175350714.db2.gz VGCITDJXJLOFTQ-VIFPVBQESA-N 0 0 219.284 2.282 50 0 BEAARN COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCO1 ZINC000049940466 175351005 /nfs/dbraw/zinc/35/10/05/175351005.db2.gz HSGMJJFPEWFTBR-GXFFZTMASA-N 0 0 249.310 2.051 50 0 BEAARN COc1ccccc1[C@H](O)c1ccccn1 ZINC000037464709 175354517 /nfs/dbraw/zinc/35/45/17/175354517.db2.gz RYTMGNRIMAHOFD-ZDUSSCGKSA-N 0 0 215.252 2.172 50 0 BEAARN COc1cccnc1-c1ccc(O)cc1 ZINC000065370833 175356264 /nfs/dbraw/zinc/35/62/64/175356264.db2.gz NWPZOKWOUAMGST-UHFFFAOYSA-N 0 0 201.225 2.463 50 0 BEAARN COc1ccnc(COC(=O)c2ccoc2)c1 ZINC000058401430 175360505 /nfs/dbraw/zinc/36/05/05/175360505.db2.gz WGZSPDDTXRREJS-UHFFFAOYSA-N 0 0 233.223 2.040 50 0 BEAARN COc1ccnc(Oc2ccccc2)n1 ZINC000000343523 175368555 /nfs/dbraw/zinc/36/85/55/175368555.db2.gz AHDMPHMLXHCNBV-UHFFFAOYSA-N 0 0 202.213 2.278 50 0 BEAARN COc1ccnc(Sc2ccc(O)cc2)n1 ZINC000069704030 175368890 /nfs/dbraw/zinc/36/88/90/175368890.db2.gz PXQMODOVCGZPEJ-UHFFFAOYSA-N 0 0 234.280 2.342 50 0 BEAARN COc1cnc(C)c(Br)c1 ZINC000095670853 175380898 /nfs/dbraw/zinc/38/08/98/175380898.db2.gz FTRGCQAVQAKQBH-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN COc1cncc(-c2ccc(O)cc2)c1 ZINC000065456377 175382710 /nfs/dbraw/zinc/38/27/10/175382710.db2.gz MQYUHITYOPOYJZ-UHFFFAOYSA-N 0 0 201.225 2.463 50 0 BEAARN COc1cncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000065301645 175383267 /nfs/dbraw/zinc/38/32/67/175383267.db2.gz FTPYCIFLBLUCEE-QWRGUYRKSA-N 0 0 248.326 2.208 50 0 BEAARN COc1nc(C)nc2c1sc(=S)n2C ZINC000000117942 175391857 /nfs/dbraw/zinc/39/18/57/175391857.db2.gz XENJZEYRDHAGQT-UHFFFAOYSA-N 0 0 227.314 2.076 50 0 BEAARN COc1ncc(CN(C)Cc2ccc(C)o2)cn1 ZINC000065386134 175398115 /nfs/dbraw/zinc/39/81/15/175398115.db2.gz FWZAJIFZJCBQOM-UHFFFAOYSA-N 0 0 247.298 2.019 50 0 BEAARN COc1ncccc1NC(=O)C(C)(C)C ZINC000035270537 175408867 /nfs/dbraw/zinc/40/88/67/175408867.db2.gz FPRBOVWSWSYETA-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN CSCC(=O)NC1CCCCCC1 ZINC000033028155 175458454 /nfs/dbraw/zinc/45/84/54/175458454.db2.gz BJEREBXLIPLMSV-UHFFFAOYSA-N 0 0 201.335 2.188 50 0 BEAARN C[C@@H](C(=O)NC1CCC1)n1cnc2ccccc21 ZINC000264573214 175611945 /nfs/dbraw/zinc/61/19/45/175611945.db2.gz XONADOXWDCEBTF-JTQLQIEISA-N 0 0 243.310 2.266 50 0 BEAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000006730712 175849141 /nfs/dbraw/zinc/84/91/41/175849141.db2.gz HLXFNTVBNKCAEP-SKDRFNHKSA-N 0 0 237.274 2.123 50 0 BEAARN C[C@@H](NC=O)c1ccc(Br)cc1 ZINC000000251768 175862499 /nfs/dbraw/zinc/86/24/99/175862499.db2.gz KOYBLVPBHZRYJL-SSDOTTSWSA-N 0 0 228.089 2.256 50 0 BEAARN C[C@@H]([NH2+]Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000019787723 175896421 /nfs/dbraw/zinc/89/64/21/175896421.db2.gz RZDVELFLKLIEGH-ZCFIWIBFSA-N 0 0 231.654 2.042 50 0 BEAARN C[C@@H](O)c1ccc(-c2ccc(CO)o2)cc1 ZINC000002637897 175998588 /nfs/dbraw/zinc/99/85/88/175998588.db2.gz RCVJOGSDFQAHAG-SECBINFHSA-N 0 0 218.252 2.492 50 0 BEAARN C[C@@H](OC(=O)[C@@H]1CCCCN1C)c1cccnc1 ZINC000095962714 176001725 /nfs/dbraw/zinc/00/17/25/176001725.db2.gz HUKXNULISVPKPZ-YPMHNXCESA-N 0 0 248.326 2.170 50 0 BEAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000012380568 176004011 /nfs/dbraw/zinc/00/40/11/176004011.db2.gz ZNHMLPMJKSOPNP-MRVPVSSYSA-N 0 0 239.702 2.386 50 0 BEAARN C[C@@H](SC[C@@H](O)CO)c1c(F)cccc1F ZINC000089904505 176008105 /nfs/dbraw/zinc/00/81/05/176008105.db2.gz OAYPLTBJUMHENG-SFYZADRCSA-N 0 0 248.294 2.112 50 0 BEAARN C[C@@H](SC[C@@H](O)CO)c1ccccc1Cl ZINC000095407562 176008160 /nfs/dbraw/zinc/00/81/60/176008160.db2.gz CBFZXGWCUUALQN-BDAKNGLRSA-N 0 0 246.759 2.487 50 0 BEAARN C[C@@H](SCc1ccccc1)C(=O)N(C)C ZINC000061112428 176009217 /nfs/dbraw/zinc/00/92/17/176009217.db2.gz OPWJUJCMHQLAMI-SNVBAGLBSA-N 0 0 223.341 2.397 50 0 BEAARN C[C@@H](Sc1ccccc1F)C(=O)N(C)C ZINC000012987307 176009374 /nfs/dbraw/zinc/00/93/74/176009374.db2.gz VITLSTIHEYXQAK-MRVPVSSYSA-N 0 0 227.304 2.395 50 0 BEAARN C[C@@H](c1ccccc1)N1C(=O)CN(C2CC2)C1=O ZINC000272030086 176019904 /nfs/dbraw/zinc/01/99/04/176019904.db2.gz DNOUPGSOQVAYPJ-JTQLQIEISA-N 0 0 244.294 2.174 50 0 BEAARN C[C@@H]1C(=O)CCN(Cc2ccco2)[C@H]1C ZINC000001076028 176041402 /nfs/dbraw/zinc/04/14/02/176041402.db2.gz JTDIADXWGUFCRY-UWVGGRQHSA-N 0 0 207.273 2.079 50 0 BEAARN C[C@@H]1CC(=O)NN=C1c1ccc(Cl)cc1 ZINC000004076255 176049862 /nfs/dbraw/zinc/04/98/62/176049862.db2.gz VECYAKYVLADWSP-SSDOTTSWSA-N 0 0 222.675 2.200 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccncc1 ZINC000012913950 176079789 /nfs/dbraw/zinc/07/97/89/176079789.db2.gz MHOFJBIBOVGCAB-PWSUYJOCSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)n1ccnc1 ZINC000032628621 176080644 /nfs/dbraw/zinc/08/06/44/176080644.db2.gz GZPOELWUWAUAJL-ZJUUUORDSA-N 0 0 207.277 2.020 50 0 BEAARN C[C@@H]1CCCN(Cc2nc(C3CC3)no2)C1 ZINC000043999566 176101429 /nfs/dbraw/zinc/10/14/29/176101429.db2.gz OBZSMPALSFDFJB-SECBINFHSA-N 0 0 221.304 2.179 50 0 BEAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccncc1 ZINC000000394436 176115784 /nfs/dbraw/zinc/11/57/84/176115784.db2.gz MUIZKOTWWDFSKR-GHMZBOCLSA-N 0 0 218.300 2.485 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=S)NC2CC2)[C@@H]1C ZINC000007526488 176122936 /nfs/dbraw/zinc/12/29/36/176122936.db2.gz FKBYCYJTJOSXCB-FXPVBKGRSA-N 0 0 226.389 2.438 50 0 BEAARN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc[nH]c2=O)C1 ZINC000040499063 176140351 /nfs/dbraw/zinc/14/03/51/176140351.db2.gz GSOWPRNKBVCIAJ-MNOVXSKESA-N 0 0 248.326 2.026 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)n2ccnc2)[C@@H]1C ZINC000032628631 176142997 /nfs/dbraw/zinc/14/29/97/176142997.db2.gz SYZSJULANIBEEQ-MXWKQRLJSA-N 0 0 221.304 2.266 50 0 BEAARN C[C@@H]1CCN(C(=O)c2ccoc2)CC1(F)F ZINC000336597435 176164240 /nfs/dbraw/zinc/16/42/40/176164240.db2.gz SMGNKAKMBABWOM-MRVPVSSYSA-N 0 0 229.226 2.397 50 0 BEAARN C[C@@H]1CCc2c(sc3[nH]cnc(=O)c23)C1 ZINC000000048678 176239200 /nfs/dbraw/zinc/23/92/00/176239200.db2.gz YSMXTYUERRJGMR-ZCFIWIBFSA-N 0 0 220.297 2.109 50 0 BEAARN C[C@@H]1CCc2c(sc3ncn4ncnc4c23)C1 ZINC000000301695 176239559 /nfs/dbraw/zinc/23/95/59/176239559.db2.gz YDRSZSKSGMUZEJ-SSDOTTSWSA-N 0 0 244.323 2.464 50 0 BEAARN C[C@@H]1CN(CCc2ccccc2)CCC1=O ZINC000000129229 176294058 /nfs/dbraw/zinc/29/40/58/176294058.db2.gz FYNKVRCSKRJSSF-GFCCVEGCSA-N 0 0 217.312 2.140 50 0 BEAARN C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H](C)O1 ZINC000019398952 176303760 /nfs/dbraw/zinc/30/37/60/176303760.db2.gz AXOVDTKFYUKNAE-NXEZZACHSA-N 0 0 240.734 2.344 50 0 BEAARN C[C@@H]1COCC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000170619049 176342123 /nfs/dbraw/zinc/34/21/23/176342123.db2.gz IOXLPTLEGXNZET-SKDRFNHKSA-N 0 0 231.299 2.400 50 0 BEAARN C[C@@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1 ZINC000059868432 176380621 /nfs/dbraw/zinc/38/06/21/176380621.db2.gz LGJNBRYQEIZFMK-YPMHNXCESA-N 0 0 249.310 2.168 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000013019325 176386955 /nfs/dbraw/zinc/38/69/55/176386955.db2.gz ZTPCUNRIPJRXME-MFKMUULPSA-N 0 0 242.322 2.483 50 0 BEAARN C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1ccccc1F ZINC000097021114 176475203 /nfs/dbraw/zinc/47/52/03/176475203.db2.gz VKJNRBMNTUBNED-RVIYUIFMSA-N 0 0 242.315 2.252 50 0 BEAARN C[C@H](CC(=O)N1CCC(O)CC1)CC(C)(C)C ZINC000035611817 176599081 /nfs/dbraw/zinc/59/90/81/176599081.db2.gz GGYQZOYDEKJSOK-LLVKDONJSA-N 0 0 241.375 2.432 50 0 BEAARN C[C@H](NC(=O)c1cccnc1)c1ccc(O)cc1 ZINC000001445998 176819908 /nfs/dbraw/zinc/81/99/08/176819908.db2.gz PEHOGPOHBDJGKN-JTQLQIEISA-N 0 0 242.278 2.278 50 0 BEAARN C[C@H](NC(=O)c1ccncc1)C(C)(C)C ZINC000001056487 176820981 /nfs/dbraw/zinc/82/09/81/176820981.db2.gz SCZUAQHOQOQNFN-VIFPVBQESA-N 0 0 206.289 2.246 50 0 BEAARN C[C@H](NC=O)c1ccc(Br)cc1 ZINC000000251767 176831763 /nfs/dbraw/zinc/83/17/63/176831763.db2.gz KOYBLVPBHZRYJL-ZETCQYMHSA-N 0 0 228.089 2.256 50 0 BEAARN C[C@H](NCc1ccco1)C(=O)OC1CCCC1 ZINC000097212814 176878169 /nfs/dbraw/zinc/87/81/69/176878169.db2.gz IWKIKRZGNNNNJG-JTQLQIEISA-N 0 0 237.299 2.244 50 0 BEAARN C[C@H](O)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000097113272 176943050 /nfs/dbraw/zinc/94/30/50/176943050.db2.gz RAUMGKQAWQJBKF-LBPRGKRZSA-N 0 0 247.338 2.039 50 0 BEAARN C[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000000156906 176946978 /nfs/dbraw/zinc/94/69/78/176946978.db2.gz RQKXFLUAQLDHMO-LBPRGKRZSA-N 0 0 228.291 2.303 50 0 BEAARN C[C@H](O)[C@@H]1CNc2cc(Br)ccc21 ZINC000057219131 177009508 /nfs/dbraw/zinc/00/95/08/177009508.db2.gz BERTXOJABVEMKO-RCOVLWMOSA-N 0 0 242.116 2.339 50 0 BEAARN C[C@H](Oc1c(Cl)cccc1Cl)C(N)=O ZINC000033434275 177021576 /nfs/dbraw/zinc/02/15/76/177021576.db2.gz KVCQWFJJUHDPLB-YFKPBYRVSA-N 0 0 234.082 2.246 50 0 BEAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC1 ZINC000012924798 177023210 /nfs/dbraw/zinc/02/32/10/177023210.db2.gz ROPLIBBCPBECJL-VIFPVBQESA-N 0 0 239.702 2.340 50 0 BEAARN C[C@H](Oc1ccccc1)c1nnc(N)s1 ZINC000000319387 177024616 /nfs/dbraw/zinc/02/46/16/177024616.db2.gz OYNCXTKLAZBINA-ZETCQYMHSA-N 0 0 221.285 2.260 50 0 BEAARN C[C@H](Oc1ccccc1Cl)C(=O)NC1CC1 ZINC000012380575 177024819 /nfs/dbraw/zinc/02/48/19/177024819.db2.gz XTWYFYBYEHDNFG-QMMMGPOBSA-N 0 0 239.702 2.386 50 0 BEAARN C[C@H](SCC(C)(C)C)c1nnnn1C ZINC000252501479 177025784 /nfs/dbraw/zinc/02/57/84/177025784.db2.gz UFQBRKUOTOAEKK-ZETCQYMHSA-N 0 0 214.338 2.050 50 0 BEAARN C[C@H](S[C@@H](C)c1ccccc1F)C(N)=O ZINC000048681391 177028423 /nfs/dbraw/zinc/02/84/23/177028423.db2.gz JHDFKNYBYMQRGO-YUMQZZPRSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@@H](S[C@@H](C)c1nncn1C)c1cnccn1 ZINC000289436969 177028574 /nfs/dbraw/zinc/02/85/74/177028574.db2.gz RTJBYQAAVXPUQB-BDAKNGLRSA-N 0 0 249.343 2.161 50 0 BEAARN C[C@H](Sc1ccc(F)cc1)C(=O)N(C)C ZINC000032741663 177029072 /nfs/dbraw/zinc/02/90/72/177029072.db2.gz BUIGBXOADRTCPA-QMMMGPOBSA-N 0 0 227.304 2.395 50 0 BEAARN C[C@H](Sc1ccc2ccccc2n1)C(N)=O ZINC000005627157 177029324 /nfs/dbraw/zinc/02/93/24/177029324.db2.gz WSNBKADWQCUAES-QMMMGPOBSA-N 0 0 232.308 2.201 50 0 BEAARN C[C@H]1C(=O)N=C2SCCN2[C@@H]1c1ccccc1 ZINC000170625826 177058443 /nfs/dbraw/zinc/05/84/43/177058443.db2.gz IBXHOKODRNZKJE-KOLCDFICSA-N 0 0 246.335 2.309 50 0 BEAARN C[C@H]1CC(=O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000072206950 177061847 /nfs/dbraw/zinc/06/18/47/177061847.db2.gz ADBYGASBXODWTQ-IUCAKERBSA-N 0 0 227.304 2.363 50 0 BEAARN C[C@H]1CC2(C[C@H](C)C1(O)C=C1CC1)OCCO2 ZINC000045071569 177067384 /nfs/dbraw/zinc/06/73/84/177067384.db2.gz ZDVMKUBWHJEPDB-QWRGUYRKSA-N 0 0 238.327 2.247 50 0 BEAARN C[C@H]1CCCCN1C(=O)c1ccccc1N ZINC000000128826 177073942 /nfs/dbraw/zinc/07/39/42/177073942.db2.gz OGPFNQSIZKVIEQ-JTQLQIEISA-N 0 0 218.300 2.283 50 0 BEAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnccn1 ZINC000032787740 177081295 /nfs/dbraw/zinc/08/12/95/177081295.db2.gz IEJIMLDSAATWGJ-JQWIXIFHSA-N 0 0 233.315 2.127 50 0 BEAARN C[C@H]1CCCN(C(=O)[C@H]2CCCS2)C1 ZINC000082319265 177094475 /nfs/dbraw/zinc/09/44/75/177094475.db2.gz HUFAIJPLJDLZBQ-VHSXEESVSA-N 0 0 213.346 2.141 50 0 BEAARN C[C@H]1CCCN(C(=O)c2ccc(N)cc2)C1 ZINC000000873652 177095089 /nfs/dbraw/zinc/09/50/89/177095089.db2.gz PNJJYGKJDHDGOM-JTQLQIEISA-N 0 0 218.300 2.141 50 0 BEAARN C[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000006498348 177095123 /nfs/dbraw/zinc/09/51/23/177095123.db2.gz WHNIMAHOWZCQFM-JTQLQIEISA-N 0 0 243.310 2.435 50 0 BEAARN C[C@H]1CCCN(S(C)(=O)=O)c2ccccc21 ZINC000097114740 177103628 /nfs/dbraw/zinc/10/36/28/177103628.db2.gz GJVMRFJADUJRRS-JTQLQIEISA-N 0 0 239.340 2.350 50 0 BEAARN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc[nH]c2=O)C1 ZINC000040499066 177120048 /nfs/dbraw/zinc/12/00/48/177120048.db2.gz GSOWPRNKBVCIAJ-WDEREUQCSA-N 0 0 248.326 2.026 50 0 BEAARN C[C@H]1CCC[C@H](C)C1NC(=O)c1cnccn1 ZINC000072274696 177129313 /nfs/dbraw/zinc/12/93/13/177129313.db2.gz UJRKNUKORQAHFI-UWVGGRQHSA-N 0 0 233.315 2.031 50 0 BEAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cccnc1 ZINC000001456446 177130965 /nfs/dbraw/zinc/13/09/65/177130965.db2.gz DYTNYPBYDDSYGQ-QWRGUYRKSA-N 0 0 218.300 2.485 50 0 BEAARN C[C@H]1CCC[C@H](NC(=O)CCCn2ccnc2)C1 ZINC000058107433 177135431 /nfs/dbraw/zinc/13/54/31/177135431.db2.gz OOSFNDWFGAIFOS-STQMWFEESA-N 0 0 249.358 2.358 50 0 BEAARN C[C@H]1CN(C(=O)CCCc2ccccc2)CCO1 ZINC000046743442 177214705 /nfs/dbraw/zinc/21/47/05/177214705.db2.gz MGPFTNJMEJUSSU-ZDUSSCGKSA-N 0 0 247.338 2.257 50 0 BEAARN C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H](C)O1 ZINC000012341613 177215596 /nfs/dbraw/zinc/21/55/96/177215596.db2.gz UMVAVRMPPPMAQU-BETUJISGSA-N 0 0 247.338 2.255 50 0 BEAARN C[C@H]1CN(C(=O)c2cccc(F)c2)C[C@H](C)O1 ZINC000000304130 177227110 /nfs/dbraw/zinc/22/71/10/177227110.db2.gz XIXAYXQQIUCREY-UWVGGRQHSA-N 0 0 237.274 2.075 50 0 BEAARN C[C@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000036076063 177228045 /nfs/dbraw/zinc/22/80/45/177228045.db2.gz NFGHWLFVSIENOG-VIFPVBQESA-N 0 0 239.702 2.201 50 0 BEAARN C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000019398954 177261920 /nfs/dbraw/zinc/26/19/20/177261920.db2.gz AXOVDTKFYUKNAE-AOOOYVTPSA-N 0 0 240.734 2.344 50 0 BEAARN C[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000023114959 177263009 /nfs/dbraw/zinc/26/30/09/177263009.db2.gz JUCOHXGUMPVRQS-PHIMTYICSA-N 0 0 249.310 2.025 50 0 BEAARN C[C@H]1COC[C@H](C)N1C(=O)CCc1ccccc1 ZINC000040634620 177299029 /nfs/dbraw/zinc/29/90/29/177299029.db2.gz JSZLFDZPTSCBCB-STQMWFEESA-N 0 0 247.338 2.255 50 0 BEAARN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)[O-] ZINC000237543046 177338707 /nfs/dbraw/zinc/33/87/07/177338707.db2.gz OEWXNAJKFYKSEP-GXSJLCMTSA-N 0 0 237.274 2.088 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N1CCn2c3ccccc3nc21 ZINC000029375689 177340086 /nfs/dbraw/zinc/34/00/86/177340086.db2.gz XDFJQIKRBQTLIQ-UWVGGRQHSA-N 0 0 241.294 2.039 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000013327462 177340811 /nfs/dbraw/zinc/34/08/11/177340811.db2.gz NQAWCQGNPRMSIH-KWQFWETISA-N 0 0 207.248 2.098 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000013746846 177376820 /nfs/dbraw/zinc/37/68/20/177376820.db2.gz RBKWRERYPKKKEE-POYBYMJQSA-N 0 0 210.664 2.330 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000023039765 177376926 /nfs/dbraw/zinc/37/69/26/177376926.db2.gz DRXKPGOFEWGNPE-GXSJLCMTSA-N 0 0 247.294 2.442 50 0 BEAARN Cc1c(-c2nc3ccccc3[nH]2)cnn1C ZINC000006412604 177553191 /nfs/dbraw/zinc/55/31/91/177553191.db2.gz AADZJKRQQGSLMB-UHFFFAOYSA-N 0 0 212.256 2.272 50 0 BEAARN Cc1c(N)cnn1-c1ccc(Cl)cc1 ZINC000048218387 177615748 /nfs/dbraw/zinc/61/57/48/177615748.db2.gz NILLVOYJYLUZIU-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN CO[C@@H]1C[C@]23CC(C)(C)C[C@H]2CC(=O)[C@@H]3CO1 ZINC000071786050 262790437 /nfs/dbraw/zinc/79/04/37/262790437.db2.gz VXWCNNGKLGPPTF-IHOMSZDFSA-N 0 0 238.327 2.391 50 0 BEAARN CCCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000102846823 487701587 /nfs/dbraw/zinc/70/15/87/487701587.db2.gz SHHQWCFPXBMQNF-UWVGGRQHSA-N 0 0 241.718 2.304 50 0 BEAARN Cc1ccccc1CN(C)[C@H]1C[C@@H](C)OC1=O ZINC000107569422 487818602 /nfs/dbraw/zinc/81/86/02/487818602.db2.gz UTEPJJPZARQIRX-YPMHNXCESA-N 0 0 233.311 2.131 50 0 BEAARN CCc1ccccc1C(=O)Nc1cnccn1 ZINC000095944525 322946178 /nfs/dbraw/zinc/94/61/78/322946178.db2.gz MGCPTXHREDSYAJ-UHFFFAOYSA-N 0 0 227.267 2.291 50 0 BEAARN CSCc1ccccc1NC(=O)CN(C)C ZINC000097104317 487831927 /nfs/dbraw/zinc/83/19/27/487831927.db2.gz GZCQWIWDSLEZNO-UHFFFAOYSA-N 0 0 238.356 2.050 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCCc1ccccc1F ZINC000045293371 487834376 /nfs/dbraw/zinc/83/43/76/487834376.db2.gz CGUXFWWFPRLSKX-GXSJLCMTSA-N 0 0 221.275 2.140 50 0 BEAARN Brc1nnc(-c2ccccc2)o1 ZINC000012505175 322819675 /nfs/dbraw/zinc/81/96/75/322819675.db2.gz XMTNHCRGHQLOEX-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN O=c1c2ccc(F)cc2ncn1CC1CCC1 ZINC000095403409 322928645 /nfs/dbraw/zinc/92/86/45/322928645.db2.gz BWTJXBUUYNZKEG-UHFFFAOYSA-N 0 0 232.258 2.336 50 0 BEAARN C[C@@H](C(=O)Nc1cnccn1)c1cccs1 ZINC000097379872 322988187 /nfs/dbraw/zinc/98/81/87/322988187.db2.gz SLUKBNIUPZPROP-MRVPVSSYSA-N 0 0 233.296 2.280 50 0 BEAARN CC(C)=CCC[C@@H](C)[NH2+]Cc1n[n-]c(=N)s1 ZINC000534575992 323153738 /nfs/dbraw/zinc/15/37/38/323153738.db2.gz BIHTUHPWAMCMLO-SECBINFHSA-N 0 0 240.376 2.175 50 0 BEAARN Cc1cccc(C2(NC(=O)c3cn[nH]c3)CC2)c1 ZINC000534649185 323158365 /nfs/dbraw/zinc/15/83/65/323158365.db2.gz XUENYOBXUXJXJW-UHFFFAOYSA-N 0 0 241.294 2.137 50 0 BEAARN CC(C)c1cc(CN[C@H](C)Cn2ccnc2)no1 ZINC000534665361 323158424 /nfs/dbraw/zinc/15/84/24/323158424.db2.gz AGKKLQAFHXRDNX-LLVKDONJSA-N 0 0 248.330 2.173 50 0 BEAARN COC1(OC)C=CC(=O)C=C1C(C)(C)C ZINC000034145863 323235811 /nfs/dbraw/zinc/23/58/11/323235811.db2.gz ZBIWVRAADXVOSW-UHFFFAOYSA-N 0 0 210.273 2.087 50 0 BEAARN CCc1ccc(-c2nc(CO)c[nH]2)cc1 ZINC000062820483 323236125 /nfs/dbraw/zinc/23/61/25/323236125.db2.gz CCGVCBNMYAUXBI-UHFFFAOYSA-N 0 0 202.257 2.131 50 0 BEAARN O[C@@H]1CCC23C=CCC2(CC=C3)CC[C@@H]1O ZINC000043198699 323236817 /nfs/dbraw/zinc/23/68/17/323236817.db2.gz UVKDTDKUCFDDHB-KBHBFKLGSA-N 0 0 220.312 2.175 50 0 BEAARN Cc1ncn(Cc2cccnc2C(F)(F)F)n1 ZINC000530169039 324503410 /nfs/dbraw/zinc/50/34/10/324503410.db2.gz FDOGYBXQJMYJRC-UHFFFAOYSA-N 0 0 242.204 2.049 50 0 BEAARN Cc1nnc(CN[C@@H](C)c2cnccc2C)s1 ZINC000543739629 325106687 /nfs/dbraw/zinc/10/66/87/325106687.db2.gz JHVMWTUDWVEWHM-VIFPVBQESA-N 0 0 248.355 2.401 50 0 BEAARN CC(C)=CCN1CCOC[C@H]1c1cccn1C ZINC000131641990 325173100 /nfs/dbraw/zinc/17/31/00/325173100.db2.gz QFSICWOUCRZDFM-AWEZNQCLSA-N 0 0 234.343 2.365 50 0 BEAARN O=C(Nc1ccncc1F)c1ccoc1 ZINC000132112386 325200022 /nfs/dbraw/zinc/20/00/22/325200022.db2.gz OGQYAECEEVERGZ-UHFFFAOYSA-N 0 0 206.176 2.066 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3CCC[C@@H]32)O1 ZINC000245952678 325535521 /nfs/dbraw/zinc/53/55/21/325535521.db2.gz BJSUJGZXLNOMER-MROQNXINSA-N 0 0 237.343 2.345 50 0 BEAARN Cc1cc(Cn2c3ccccc3sc2=O)no1 ZINC000089605072 325667315 /nfs/dbraw/zinc/66/73/15/325667315.db2.gz YZBXBMIIHAAKSG-UHFFFAOYSA-N 0 0 246.291 2.408 50 0 BEAARN C[C@@H]1CN(C(=O)C2CCC2)C[C@H](C)S1 ZINC000089937056 325671286 /nfs/dbraw/zinc/67/12/86/325671286.db2.gz HNPMPRCBBDFCIN-DTORHVGOSA-N 0 0 213.346 2.139 50 0 BEAARN C[C@@H](N[C@@H](C)c1nccn1C)c1cscn1 ZINC000566865150 326090013 /nfs/dbraw/zinc/09/00/13/326090013.db2.gz USHZXCKBKDDEAS-BDAKNGLRSA-N 0 0 236.344 2.288 50 0 BEAARN Oc1ccc(/C=C/c2ccncn2)cc1F ZINC000157300071 326266523 /nfs/dbraw/zinc/26/65/23/326266523.db2.gz OZUIUJDXDIIUEE-HNQUOIGGSA-N 0 0 216.215 2.492 50 0 BEAARN CCc1[nH]nc(N[C@@H](C)CCn2cccn2)c1C ZINC000159302687 326395416 /nfs/dbraw/zinc/39/54/16/326395416.db2.gz XXGRMEKQOKZHNS-JTQLQIEISA-N 0 0 247.346 2.368 50 0 BEAARN CC(C)(C)c1ccc(-n2cc(CCO)nn2)cc1 ZINC000052221250 488009409 /nfs/dbraw/zinc/00/94/09/488009409.db2.gz YWRFEPAXRLVASR-UHFFFAOYSA-N 0 0 245.326 2.100 50 0 BEAARN C[C@H]1C[C@@H]1c1ccc(CNC(=O)C2CC2)o1 ZINC000084688991 488081723 /nfs/dbraw/zinc/08/17/23/488081723.db2.gz IQMZEYDKCVLGQZ-KWQFWETISA-N 0 0 219.284 2.429 50 0 BEAARN CC[C@H](C)C(=O)NCC(=O)O[C@@H](C)CC(C)C ZINC000084721272 488084226 /nfs/dbraw/zinc/08/42/26/488084226.db2.gz GDODYPIUPOBQBO-QWRGUYRKSA-N 0 0 243.347 2.127 50 0 BEAARN CC[C@H](C)C(=O)NCC(=O)O[C@H](C)CC(C)C ZINC000084721277 488084232 /nfs/dbraw/zinc/08/42/32/488084232.db2.gz GDODYPIUPOBQBO-WDEREUQCSA-N 0 0 243.347 2.127 50 0 BEAARN CCOc1cccc(COC(=O)c2ccoc2)n1 ZINC000084810963 488102665 /nfs/dbraw/zinc/10/26/65/488102665.db2.gz LWIBSEZAQXESHT-UHFFFAOYSA-N 0 0 247.250 2.430 50 0 BEAARN CC(=O)c1ccc(NCC[C@@H]2CCOC2)nc1 ZINC000680071935 487532216 /nfs/dbraw/zinc/53/22/16/487532216.db2.gz DJCWZEQRPNIDMG-LLVKDONJSA-N 0 0 234.299 2.123 50 0 BEAARN COC[C@H](C)N1CC(Oc2ccc(C)cc2)C1 ZINC000670440503 487489305 /nfs/dbraw/zinc/48/93/05/487489305.db2.gz GSTFYUQLMRWOEH-LBPRGKRZSA-N 0 0 235.327 2.093 50 0 BEAARN CC[C@@H]1CCN(Cc2nc(C(F)(F)F)no2)C1 ZINC000670451136 487503124 /nfs/dbraw/zinc/50/31/24/487503124.db2.gz AUXCHXFHOSRWIZ-SSDOTTSWSA-N 0 0 249.236 2.320 50 0 BEAARN Cc1cc(CN(C)Cc2cc(C)cc(C)n2)[nH]n1 ZINC000670464077 487517159 /nfs/dbraw/zinc/51/71/59/487517159.db2.gz SXAGISLOUKLFKF-UHFFFAOYSA-N 0 0 244.342 2.362 50 0 BEAARN Cn1ccc2c1cccc2C(=O)OCCF ZINC000077958767 488202579 /nfs/dbraw/zinc/20/25/79/488202579.db2.gz LWXYFRYJNJTAEO-UHFFFAOYSA-N 0 0 221.231 2.305 50 0 BEAARN CCC[C@H]1CCCC[C@H]1NC(=O)NOC ZINC000084740643 488225200 /nfs/dbraw/zinc/22/52/00/488225200.db2.gz OYRZZYUUWOKQAM-VHSXEESVSA-N 0 0 214.309 2.206 50 0 BEAARN CC(C)c1cc(N(C)CCCn2ccnc2)n[nH]1 ZINC000097034141 490305215 /nfs/dbraw/zinc/30/52/15/490305215.db2.gz WCHXXYHIXWGYCE-UHFFFAOYSA-N 0 0 247.346 2.256 50 0 BEAARN CC[C@@H](COC)Nc1ccc([S@@](C)=O)cc1 ZINC000097101627 490317803 /nfs/dbraw/zinc/31/78/03/490317803.db2.gz CVHCIELERLTZPJ-QFYYESIMSA-N 0 0 241.356 2.261 50 0 BEAARN O=C(c1ccccc1Cl)N1CCCO1 ZINC000097083465 491124709 /nfs/dbraw/zinc/12/47/09/491124709.db2.gz DBDMCIOBQSRFGI-UHFFFAOYSA-N 0 0 211.648 2.118 50 0 BEAARN CC(=O)c1ccc(Br)cc1O ZINC000002585998 518300109 /nfs/dbraw/zinc/30/01/09/518300109.db2.gz LQCMMXGKEGWUIM-UHFFFAOYSA-N 0 0 215.046 2.357 50 0 BEAARN C=CC(=O)NC[C@H]1C[C@@]1(C)c1cccs1 ZINC000390834692 518679920 /nfs/dbraw/zinc/67/99/20/518679920.db2.gz PSDIPHLPFSCPHN-BXKDBHETSA-N 0 0 221.325 2.328 50 0 BEAARN CC(C)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000257183691 519475543 /nfs/dbraw/zinc/47/55/43/519475543.db2.gz SEZDEPMJQMWMTF-CYBMUJFWSA-N 0 0 233.311 2.322 50 0 BEAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000245229384 519808997 /nfs/dbraw/zinc/80/89/97/519808997.db2.gz WMCIENSNBKBGKV-LWWSYDQCSA-N 0 0 247.338 2.230 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)[C@H]1CCOC1 ZINC000069311131 521035613 /nfs/dbraw/zinc/03/56/13/521035613.db2.gz MHBDSUNABQRGHC-NEPJUHHUSA-N 0 0 227.348 2.356 50 0 BEAARN CCC(CC)CNC(=O)NCc1ccncc1 ZINC000072274069 521530213 /nfs/dbraw/zinc/53/02/13/521530213.db2.gz VURAJXRACFCYCT-UHFFFAOYSA-N 0 0 235.331 2.317 50 0 BEAARN CCc1cnc([C@H](C)NCc2cc[nH]n2)s1 ZINC000079020359 522058716 /nfs/dbraw/zinc/05/87/16/522058716.db2.gz MXEWGUAYJZFMPF-QMMMGPOBSA-N 0 0 236.344 2.279 50 0 BEAARN CN(CCc1ccncc1)C(=O)C[C@H]1C=CCC1 ZINC000058051280 522975273 /nfs/dbraw/zinc/97/52/73/522975273.db2.gz SGTBRGQRRLCIHO-AWEZNQCLSA-N 0 0 244.338 2.439 50 0 BEAARN COCc1cccc(OC(=O)c2cccn2C)c1 ZINC000079037545 523080909 /nfs/dbraw/zinc/08/09/09/523080909.db2.gz WGMHOINEPKNVJO-UHFFFAOYSA-N 0 0 245.278 2.391 50 0 BEAARN CC(=O)Nc1cc(N)ccc1N1CCC(C)CC1 ZINC000016606264 534698681 /nfs/dbraw/zinc/69/86/81/534698681.db2.gz LXVSGZTYEIEGQD-UHFFFAOYSA-N 0 0 247.342 2.464 50 0 BEAARN Cc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1C ZINC000000543414 534745249 /nfs/dbraw/zinc/74/52/49/534745249.db2.gz AXHYVJWEULBTLS-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN COC(=O)c1n[nH]c(CC(C)C)c1Cl ZINC000253412914 524023587 /nfs/dbraw/zinc/02/35/87/524023587.db2.gz SLLHLVZANAXGCY-UHFFFAOYSA-N 0 0 216.668 2.048 50 0 BEAARN CN(C)C(=O)c1c[nH]c(=O)cc1-c1ccccc1 ZINC000334163824 524031522 /nfs/dbraw/zinc/03/15/22/524031522.db2.gz JTJUUAZVYHNTRO-UHFFFAOYSA-N 0 0 242.278 2.156 50 0 BEAARN Cc1cc(C)n(C2CN(Cc3nccs3)C2)n1 ZINC000244882476 524500651 /nfs/dbraw/zinc/50/06/51/524500651.db2.gz XSLYTABJHXOKBO-UHFFFAOYSA-N 0 0 248.355 2.013 50 0 BEAARN Cc1ccc(N2N[C@@](C)(C3CC3)NC2=O)cc1C ZINC000334161232 524987818 /nfs/dbraw/zinc/98/78/18/524987818.db2.gz WVHBHJISMBTAFW-AWEZNQCLSA-N 0 0 245.326 2.464 50 0 BEAARN CC(=O)c1ccc(OCCc2cnn(C)c2)cc1 ZINC000227605082 534870639 /nfs/dbraw/zinc/87/06/39/534870639.db2.gz UJWUJVKUEDZYKU-UHFFFAOYSA-N 0 0 244.294 2.244 50 0 BEAARN Cc1ccc(-n2cc[nH]c2=O)cc1Cl ZINC000087665572 525912290 /nfs/dbraw/zinc/91/22/90/525912290.db2.gz NCYKFGJZPZSKSQ-UHFFFAOYSA-N 0 0 208.648 2.127 50 0 BEAARN NCC(=O)c1c(Cl)cccc1Cl ZINC000083553815 527159610 /nfs/dbraw/zinc/15/96/10/527159610.db2.gz UKWYMZRPDVWPQO-UHFFFAOYSA-N 0 0 204.056 2.135 50 0 BEAARN Cn1ccc(C(=O)COc2ccccc2F)c1 ZINC000035183512 527337537 /nfs/dbraw/zinc/33/75/37/527337537.db2.gz KACUAYOPDOXDMG-UHFFFAOYSA-N 0 0 233.242 2.426 50 0 BEAARN O=C(NCCCOCC1CC1)c1ccccc1 ZINC000061553958 527684547 /nfs/dbraw/zinc/68/45/47/527684547.db2.gz BKVWVVABELMJPZ-UHFFFAOYSA-N 0 0 233.311 2.233 50 0 BEAARN CCC(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000000444645 528432323 /nfs/dbraw/zinc/43/23/23/528432323.db2.gz VFFVVJIZHVDVNI-UHFFFAOYSA-N 0 0 220.272 2.384 50 0 BEAARN CC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1C ZINC000008731921 534934041 /nfs/dbraw/zinc/93/40/41/534934041.db2.gz KLKYTMDHYKPSJP-UWVGGRQHSA-N 0 0 247.342 2.470 50 0 BEAARN CC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1C ZINC000013640209 534934590 /nfs/dbraw/zinc/93/45/90/534934590.db2.gz KLKYTMDHYKPSJP-NXEZZACHSA-N 0 0 247.342 2.470 50 0 BEAARN CCCC[C@H](CC)CNC(=O)[C@@H]1CCCO1 ZINC000005467707 535009171 /nfs/dbraw/zinc/00/91/71/535009171.db2.gz BALJFIJZWAYPQU-RYUDHWBXSA-N 0 0 227.348 2.498 50 0 BEAARN CCCCc1c(C)nc(N2CCCCC2)[nH]c1=O ZINC000022449142 535077587 /nfs/dbraw/zinc/07/75/87/535077587.db2.gz UQZUXRDOALPQEP-UHFFFAOYSA-N 0 0 249.358 2.411 50 0 BEAARN CC[C@H]1CN(C(=O)COC)c2cc(C)ccc2O1 ZINC000064554768 536111745 /nfs/dbraw/zinc/11/17/45/536111745.db2.gz IRYIPNKJVCZZBO-NSHDSACASA-N 0 0 249.310 2.145 50 0 BEAARN COc1ccc(N2CCCCC2=O)cc1 ZINC000002524415 536670411 /nfs/dbraw/zinc/67/04/11/536670411.db2.gz CZRGCZUCMQLTCA-UHFFFAOYSA-N 0 0 205.257 2.212 50 0 BEAARN COC(=O)c1ccc(N)c(N2CCCCC2)c1 ZINC000063110845 536727652 /nfs/dbraw/zinc/72/76/52/536727652.db2.gz DHMBWTUCCQKRAH-UHFFFAOYSA-N 0 0 234.299 2.046 50 0 BEAARN COC[C@H](C)C(=O)Nc1cccc(C)c1C(C)=O ZINC000097103700 566294130 /nfs/dbraw/zinc/29/41/30/566294130.db2.gz JSWVDGIRHZMDOF-JTQLQIEISA-N 0 0 249.310 2.419 50 0 BEAARN CCOc1ccc(-c2ccnn2CC)nc1 ZINC000854204274 588779122 /nfs/dbraw/zinc/77/91/22/588779122.db2.gz XWOJCAJQTOEJKW-UHFFFAOYSA-N 0 0 217.272 2.364 50 0 BEAARN CC(C)n1nccc1/C=C/c1cccnn1 ZINC000888099481 583181239 /nfs/dbraw/zinc/18/12/39/583181239.db2.gz MFSPKNYCIBLOEO-AATRIKPKSA-N 0 0 214.272 2.424 50 0 BEAARN C=CC(=O)N[C@@H]1C[C@]12CCCc1ccccc12 ZINC000888102351 583182391 /nfs/dbraw/zinc/18/23/91/583182391.db2.gz WXUPSFZUUJSXCK-HIFRSBDPSA-N 0 0 227.307 2.335 50 0 BEAARN C=CC(=O)N[C@H]1C[C@@]12CCCc1ccccc12 ZINC000888102343 583182486 /nfs/dbraw/zinc/18/24/86/583182486.db2.gz WXUPSFZUUJSXCK-DZGCQCFKSA-N 0 0 227.307 2.335 50 0 BEAARN COC(=O)CSc1ccc([C@@H](C)O)cc1 ZINC000082616846 583414009 /nfs/dbraw/zinc/41/40/09/583414009.db2.gz FEGPLPASIVWVQN-MRVPVSSYSA-N 0 0 226.297 2.005 50 0 BEAARN C[Si](C)(C)c1nnc(-c2ccc(F)cc2)o1 ZINC000169881580 583949118 /nfs/dbraw/zinc/94/91/18/583949118.db2.gz FORWOPYDWOUWEQ-UHFFFAOYSA-N 0 0 236.322 2.421 50 0 BEAARN C=CC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000791336991 585977874 /nfs/dbraw/zinc/97/78/74/585977874.db2.gz SQCQQDPCJMTSFC-SNVBAGLBSA-N 0 0 237.686 2.466 50 0 BEAARN C=CC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000791342208 585978320 /nfs/dbraw/zinc/97/83/20/585978320.db2.gz FKGVQAIFIZWSTQ-GFCCVEGCSA-N 0 0 231.295 2.197 50 0 BEAARN C=CC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000791342210 585978321 /nfs/dbraw/zinc/97/83/21/585978321.db2.gz FKGVQAIFIZWSTQ-LBPRGKRZSA-N 0 0 231.295 2.197 50 0 BEAARN C=CC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000791366565 585979070 /nfs/dbraw/zinc/97/90/70/585979070.db2.gz JWLDIXHJABASTN-UHFFFAOYSA-N 0 0 219.259 2.160 50 0 BEAARN C=CC(=O)N[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000791369596 585979378 /nfs/dbraw/zinc/97/93/78/585979378.db2.gz AALSTSHWSIMFQS-RYUDHWBXSA-N 0 0 237.343 2.417 50 0 BEAARN C=CC(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000791369597 585979406 /nfs/dbraw/zinc/97/94/06/585979406.db2.gz AALSTSHWSIMFQS-VXGBXAGGSA-N 0 0 237.343 2.417 50 0 BEAARN C=CC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000791387942 585980097 /nfs/dbraw/zinc/98/00/97/585980097.db2.gz VOBROJPFNDJHIQ-NSHDSACASA-N 0 0 223.316 2.171 50 0 BEAARN Cn1ncc(CN2CCCCc3sccc32)n1 ZINC000809998846 586530116 /nfs/dbraw/zinc/53/01/16/586530116.db2.gz GWDQIPFMTJTZGA-UHFFFAOYSA-N 0 0 248.355 2.220 50 0 BEAARN C[C@@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000859805808 589062089 /nfs/dbraw/zinc/06/20/89/589062089.db2.gz BGVAUJWSDZPAIM-ZMLRMANQSA-N 0 0 225.332 2.408 50 0 BEAARN C=CC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000848979016 588422736 /nfs/dbraw/zinc/42/27/36/588422736.db2.gz IAWAMSLMSGLQSR-TZMCWYRMSA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000848979329 588423187 /nfs/dbraw/zinc/42/31/87/588423187.db2.gz UEKLPVWGMSCUFM-NSHDSACASA-N 0 0 228.295 2.188 50 0 BEAARN C=CC(=O)NC1(c2nc(C)cs2)CCC1 ZINC000848979476 588423407 /nfs/dbraw/zinc/42/34/07/588423407.db2.gz XEWIPHMKFDFGKZ-UHFFFAOYSA-N 0 0 222.313 2.133 50 0 BEAARN Cc1nonc1-c1csc(COC(C)C)n1 ZINC000849180632 588460179 /nfs/dbraw/zinc/46/01/79/588460179.db2.gz SZCYOSZBVLPZMN-UHFFFAOYSA-N 0 0 239.300 2.427 50 0 BEAARN O=C(OCc1ccccc1)c1ccc[nH]1 ZINC000007446938 588556513 /nfs/dbraw/zinc/55/65/13/588556513.db2.gz XTKILPAAGBOZHY-UHFFFAOYSA-N 0 0 201.225 2.372 50 0 BEAARN CC(C)OCC(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000885605220 592087626 /nfs/dbraw/zinc/08/76/26/592087626.db2.gz ZTNGLVTXRSLSNI-JTQLQIEISA-N 0 0 249.310 2.374 50 0 BEAARN CC(C)(C)S(=O)(=O)c1sccc1C=O ZINC000004950782 635169258 /nfs/dbraw/zinc/16/92/58/635169258.db2.gz RQUGITQMTDWDMQ-UHFFFAOYSA-N 0 0 232.326 2.133 50 0 BEAARN COC(=O)C1CC(Nc2ccccc2)C1 ZINC000261332192 635391173 /nfs/dbraw/zinc/39/11/73/635391173.db2.gz VZPYFXQHPVTLQB-UHFFFAOYSA-N 0 0 205.257 2.050 50 0 BEAARN CO[C@H]1CCC[C@@H]1OC(=O)c1c(C)noc1C ZINC000097094953 631270175 /nfs/dbraw/zinc/27/01/75/631270175.db2.gz AMQCBVRGVVVTRK-UWVGGRQHSA-N 0 0 239.271 2.016 50 0 BEAARN CCOC(=O)[C@H](CCC(=O)CC(C)C)C(C)=O ZINC000002835879 631818000 /nfs/dbraw/zinc/81/80/00/631818000.db2.gz AUWMEMWRHUHEGL-GFCCVEGCSA-N 0 0 242.315 2.150 50 0 BEAARN CN=c1scc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000254707259 635726772 /nfs/dbraw/zinc/72/67/72/635726772.db2.gz UFIRYWAKRFHPGA-UHFFFAOYSA-N 0 0 249.295 2.192 50 0 BEAARN O=C(N[C@H]1CC[C@@H](CO)C1)OCc1ccccc1 ZINC000221424904 632438729 /nfs/dbraw/zinc/43/87/29/632438729.db2.gz FDKXYQLCKKQFKQ-OLZOCXBDSA-N 0 0 249.310 2.074 50 0 BEAARN O=c1[nH]ccc2c1ncn2C1CCCCC1 ZINC000005092579 635209268 /nfs/dbraw/zinc/20/92/68/635209268.db2.gz RLJRALYVBMHKIW-UHFFFAOYSA-N 0 0 217.272 2.230 50 0 BEAARN C=CC(=O)Nc1ccc2c(C)n(C)nc2c1 ZINC000888098481 635375806 /nfs/dbraw/zinc/37/58/06/635375806.db2.gz IWLWPMCEBHGUJF-UHFFFAOYSA-N 0 0 215.256 2.006 50 0 BEAARN C=CC(=O)NC[C@H]1C[C@@H](c2ccccc2)C1 ZINC000888098413 635376388 /nfs/dbraw/zinc/37/63/88/635376388.db2.gz DUZOCVHENQACGE-BJHJDKERSA-N 0 0 215.296 2.482 50 0 BEAARN O=Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000041229858 636975862 /nfs/dbraw/zinc/97/58/62/636975862.db2.gz UITGRKOJUBJCHX-UHFFFAOYSA-N 0 0 217.268 2.125 50 0 BEAARN CCOc1cccc2c1OC[C@@H](C(C)=O)C2 ZINC000675063901 640960452 /nfs/dbraw/zinc/96/04/52/640960452.db2.gz SIIRIFJOOARYTL-NSHDSACASA-N 0 0 220.268 2.225 50 0 BEAARN CCOc1cccc2c1OC[C@H](C(C)=O)C2 ZINC000675063900 640961171 /nfs/dbraw/zinc/96/11/71/640961171.db2.gz SIIRIFJOOARYTL-LLVKDONJSA-N 0 0 220.268 2.225 50 0 BEAARN Cc1n[nH]c(C)c1CCCNc1ccc(C)nn1 ZINC000032558287 641373296 /nfs/dbraw/zinc/37/32/96/641373296.db2.gz PJTNSAYHAVDWPL-UHFFFAOYSA-N 0 0 245.330 2.170 50 0 BEAARN Cn1cc(-c2ccc(O)c(-c3ccno3)c2)cn1 ZINC000032581034 641388220 /nfs/dbraw/zinc/38/82/20/641388220.db2.gz JHFWOIQJZLJVNE-UHFFFAOYSA-N 0 0 241.250 2.448 50 0 BEAARN Cn1cc(-c2ccc(-c3cc[nH]n3)cc2)cn1 ZINC000032590434 641396746 /nfs/dbraw/zinc/39/67/46/641396746.db2.gz SGBWQZHYKUAPLL-UHFFFAOYSA-N 0 0 224.267 2.477 50 0 BEAARN CCCCc1nc(CNc2c(C)cnn2C)c[nH]1 ZINC000020868116 643068763 /nfs/dbraw/zinc/06/87/63/643068763.db2.gz YSUNUOQPGJMAHR-UHFFFAOYSA-N 0 0 247.346 2.406 50 0 BEAARN Cc1cc(=O)oc2cc(NC(=O)N(C)C)ccc12 ZINC000053909640 643664784 /nfs/dbraw/zinc/66/47/84/643664784.db2.gz NQCXXDDZGOXGQU-UHFFFAOYSA-N 0 0 246.266 2.195 50 0 BEAARN CCN(CC1CCOCC1)C(=O)[C@H]1CC1(C)C ZINC000952966715 644445364 /nfs/dbraw/zinc/44/53/64/644445364.db2.gz DURIFJGXTCLLHX-GFCCVEGCSA-N 0 0 239.359 2.308 50 0 BEAARN c1cc(CN(Cc2cncnc2)C2CC2)ccn1 ZINC000952973800 644445774 /nfs/dbraw/zinc/44/57/74/644445774.db2.gz BKWFJQODGUULRC-UHFFFAOYSA-N 0 0 240.310 2.036 50 0 BEAARN COc1ccc(OC)c(-c2ncc(OC)cn2)c1 ZINC000952962378 644447342 /nfs/dbraw/zinc/44/73/42/644447342.db2.gz AZQNSYHGFSEFGB-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN C/C=C/CCNC(=O)N(CC(C)(C)O)C(C)C ZINC000095434922 644749831 /nfs/dbraw/zinc/74/98/31/644749831.db2.gz YNBCWEFSAIUBBH-VOTSOKGWSA-N 0 0 242.363 2.144 50 0 BEAARN O=c1[nH]c(C2CCC2)nc2ccccc21 ZINC000072192255 711120456 /nfs/dbraw/zinc/12/04/56/711120456.db2.gz JTUMAGYJLBCQIP-UHFFFAOYSA-N 0 0 200.241 2.191 50 0 BEAARN CC[C@H](C[C@@H](C)CO)Nc1cncc(Cl)n1 ZINC000076084081 711659464 /nfs/dbraw/zinc/65/94/64/711659464.db2.gz JHMSHMTTZASCRA-RKDXNWHRSA-N 0 0 243.738 2.339 50 0 BEAARN O[C@@H]1CCCC[C@H]1n1cc(Cl)cn1 ZINC000038053935 712803948 /nfs/dbraw/zinc/80/39/48/712803948.db2.gz HUSKQOMRXWIBPN-RKDXNWHRSA-N 0 0 200.669 2.013 50 0 BEAARN CCCCC[NH2+]CCCCCC(=O)[O-] ZINC000070597025 1165930250 /nfs/dbraw/zinc/93/02/50/1165930250.db2.gz CUEGAEYTMKZWSN-UHFFFAOYSA-N 0 0 201.310 2.411 50 0 BEAARN CCc1ccc([C@@H](C)Nc2nnc(CN)o2)cc1 ZINC001772702608 1166509439 /nfs/dbraw/zinc/50/94/39/1166509439.db2.gz KWLSLUBIQIIZBO-SECBINFHSA-N 0 0 246.314 2.264 50 0 BEAARN CCCCOc1ccc(/C=C/C(N)=O)cc1 ZINC000033433471 1167549087 /nfs/dbraw/zinc/54/90/87/1167549087.db2.gz PYCIRALVOSXMNQ-RMKNXTFCSA-N 0 0 219.284 2.364 50 0 BEAARN C=CC(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404820014 971180214 /nfs/dbraw/zinc/18/02/14/971180214.db2.gz DCQUFSJYWHYDIN-LLVKDONJSA-N 0 0 215.296 2.361 50 0 BEAARN Cc1[nH]nnc1NCc1ccc(C)c(C)c1 ZINC000952880162 974057207 /nfs/dbraw/zinc/05/72/07/974057207.db2.gz BUHFWZSVXVVGAU-UHFFFAOYSA-N 0 0 216.288 2.342 50 0 BEAARN Cc1cccc(NC(=O)N2C[C@H](C)[C@H]2C)n1 ZINC000585086437 972123443 /nfs/dbraw/zinc/12/34/43/972123443.db2.gz AIPWOUZMCUHLDG-WCBMZHEXSA-N 0 0 219.288 2.262 50 0 BEAARN C=CC(=O)NCCCc1ccnc(C(C)(C)C)n1 ZINC000585122686 972152951 /nfs/dbraw/zinc/15/29/51/972152951.db2.gz CWVVUUFDULCQLN-UHFFFAOYSA-N 0 0 247.342 2.009 50 0 BEAARN Cc1scc(C(=O)N2CCn3ccnc32)c1C ZINC000585122492 972153292 /nfs/dbraw/zinc/15/32/92/972153292.db2.gz PVRXAEVBAJCAJT-UHFFFAOYSA-N 0 0 247.323 2.222 50 0 BEAARN O=C(Nc1snc2ccccc21)[C@H]1CCCO1 ZINC000585124387 972155610 /nfs/dbraw/zinc/15/56/10/972155610.db2.gz ATKDCXIZWMOUHY-SNVBAGLBSA-N 0 0 248.307 2.414 50 0 BEAARN Cc1cc(C(=O)N2CCC=C(Cl)C2)ns1 ZINC000585130590 972166041 /nfs/dbraw/zinc/16/60/41/972166041.db2.gz VUFJDVYEWJRTGV-UHFFFAOYSA-N 0 0 242.731 2.420 50 0 BEAARN CCSCCSCc1cn(C)cn1 ZINC000585118968 961859897 /nfs/dbraw/zinc/85/98/97/961859897.db2.gz KPTYQCUXFSVKAT-UHFFFAOYSA-N 0 0 216.375 2.406 50 0 BEAARN CO[C@H](C)[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000585133098 961862429 /nfs/dbraw/zinc/86/24/29/961862429.db2.gz SQDAPAIBOAFVRH-RNFRBKRXSA-N 0 0 247.389 2.120 50 0 BEAARN Nc1cc(Cl)c(F)cc1OCCF ZINC000690940779 962111039 /nfs/dbraw/zinc/11/10/39/962111039.db2.gz DJCDYCXPVLSTEA-UHFFFAOYSA-N 0 0 207.607 2.410 50 0 BEAARN C=CC(=O)Nc1cccc2c1OCCC2 ZINC000689634452 963955671 /nfs/dbraw/zinc/95/56/71/963955671.db2.gz QHXKRUDOSZCVDK-UHFFFAOYSA-N 0 0 203.241 2.136 50 0 BEAARN COc1ccc(OC)c(-c2ncc(C)c(N)n2)c1 ZINC000213206579 965475692 /nfs/dbraw/zinc/47/56/92/965475692.db2.gz PEVAIVAKEWFVQN-UHFFFAOYSA-N 0 0 245.282 2.051 50 0 BEAARN Cc1nc(-c2cccc(CCC(C)(C)O)c2)n[nH]1 ZINC000825261592 968638157 /nfs/dbraw/zinc/63/81/57/968638157.db2.gz MHZKAAYKMPISBE-UHFFFAOYSA-N 0 0 245.326 2.484 50 0 BEAARN C[C@@H](NC(=O)c1ccc(CO)o1)C1=CCCCC1 ZINC000828825985 968811198 /nfs/dbraw/zinc/81/11/98/968811198.db2.gz HPDQMLFKHSSQCK-SNVBAGLBSA-N 0 0 249.310 2.391 50 0 BEAARN C[C@H](NC(=O)c1cccc(=O)[nH]1)C1=CCCCC1 ZINC000828928374 968817488 /nfs/dbraw/zinc/81/74/88/968817488.db2.gz OJEFEGMZDONULN-JTQLQIEISA-N 0 0 246.310 2.406 50 0 BEAARN c1cc(O[C@H]2CCSC2)nc(C2CC2)n1 ZINC000585651545 973920253 /nfs/dbraw/zinc/92/02/53/973920253.db2.gz FDNWZHFAPRCQBG-VIFPVBQESA-N 0 0 222.313 2.238 50 0 BEAARN C[C@H](Oc1nc2cccnc2n1C)C1CC1 ZINC000585654856 973928916 /nfs/dbraw/zinc/92/89/16/973928916.db2.gz NEHAFLDGXKBISV-QMMMGPOBSA-N 0 0 217.272 2.146 50 0 BEAARN C[C@@H](c1ccccn1)N(C)Cc1cccnc1N ZINC000952868854 974053526 /nfs/dbraw/zinc/05/35/26/974053526.db2.gz HZWBVBUPPNVSJL-NSHDSACASA-N 0 0 242.326 2.252 50 0 BEAARN C=CC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 ZINC000952875962 974058149 /nfs/dbraw/zinc/05/81/49/974058149.db2.gz UDVVBYVXSMIXID-SNVBAGLBSA-N 0 0 236.340 2.473 50 0 BEAARN C=C=CCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000952883348 974059838 /nfs/dbraw/zinc/05/98/38/974059838.db2.gz KXSSXNJVAKKNMB-LBPRGKRZSA-N 0 0 244.294 2.151 50 0 BEAARN C=CC(=O)N1CCSC[C@@H]1c1ccc(C)o1 ZINC000952888342 974065704 /nfs/dbraw/zinc/06/57/04/974065704.db2.gz VTHDIZLWTLHEDL-SNVBAGLBSA-N 0 0 237.324 2.391 50 0 BEAARN C=CC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000952888266 974067178 /nfs/dbraw/zinc/06/71/78/974067178.db2.gz QLDQYFRDWHIUJN-KOLCDFICSA-N 0 0 237.324 2.223 50 0 BEAARN Cc1ccc(C)n1C1N=NC(=S)S1 ZINC000005969352 980275440 /nfs/dbraw/zinc/27/54/40/980275440.db2.gz FCVFEKRGDDZZII-UHFFFAOYSA-N 0 0 211.315 2.234 50 0 BEAARN COc1cnc2ccc(Br)cc2n1 ZINC000001020827 983229053 /nfs/dbraw/zinc/22/90/53/983229053.db2.gz JTEXKCGHWIBAIB-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN CCc1c(C)noc1NC(=O)Cc1cc(C)no1 ZINC001506399838 988772005 /nfs/dbraw/zinc/77/20/05/988772005.db2.gz KAARMWRKICUNJQ-UHFFFAOYSA-N 0 0 249.270 2.023 50 0 BEAARN CC[C@H]1C=CCN1C(=O)c1n[nH]c2ccccc21 ZINC001506421797 988777849 /nfs/dbraw/zinc/77/78/49/988777849.db2.gz LRHZHDJAVCZGRS-JTQLQIEISA-N 0 0 241.294 2.354 50 0 BEAARN Cc1ccc(NC(=O)CN2CC[C@H]2C)cc1F ZINC001506418279 988781906 /nfs/dbraw/zinc/78/19/06/988781906.db2.gz PMJSHIAEYUGOSV-SNVBAGLBSA-N 0 0 236.290 2.167 50 0 BEAARN CC[C@H]1C=CCN1C(=O)c1ccc(O)c(F)c1 ZINC001506407918 988782319 /nfs/dbraw/zinc/78/23/19/988782319.db2.gz UBZLIAYEAHDEKI-JTQLQIEISA-N 0 0 235.258 2.322 50 0 BEAARN CCc1noc(NC(=O)c2cc(C)on2)c1C ZINC001506425571 988783785 /nfs/dbraw/zinc/78/37/85/988783785.db2.gz DBHJHSIIMMMLOJ-UHFFFAOYSA-N 0 0 235.243 2.094 50 0 BEAARN Cc1cc(-c2cnc3nncn3c2)ccc1F ZINC001506425867 988784867 /nfs/dbraw/zinc/78/48/67/988784867.db2.gz GYUUVBLXAZVUNF-UHFFFAOYSA-N 0 0 228.230 2.239 50 0 BEAARN C[C@H](c1nccs1)N(C)Cc1cnn(C)c1 ZINC001506428307 988785815 /nfs/dbraw/zinc/78/58/15/988785815.db2.gz PBGSVUQSHGPYPJ-SECBINFHSA-N 0 0 236.344 2.070 50 0 BEAARN FC(F)(F)COc1cc(Cl)ncn1 ZINC000048630950 1171630592 /nfs/dbraw/zinc/63/05/92/1171630592.db2.gz CJTDPEZNGURNJL-UHFFFAOYSA-N 0 0 212.558 2.071 50 0 BEAARN Cc1cc(C)n(-c2nc3ccccc3[nH]2)n1 ZINC000001433017 177921374 /nfs/dbraw/zinc/92/13/74/177921374.db2.gz RUGYNGIMTAFTLP-UHFFFAOYSA-N 0 0 212.256 2.365 50 0 BEAARN C[C@]1(CCc2ccccc2)CC[N@H+](CC(=O)[O-])C1 ZINC000299739080 136209363 /nfs/dbraw/zinc/20/93/63/136209363.db2.gz KHEHRKXNWGWAAT-HNNXBMFYSA-N 0 0 247.338 2.416 50 0 BEAARN Cc1cc(C)nc(N(C)CCC[C@H]2CCCO2)n1 ZINC000065488157 177936011 /nfs/dbraw/zinc/93/60/11/177936011.db2.gz BJAKIABFRDXJKY-ZDUSSCGKSA-N 0 0 249.358 2.489 50 0 BEAARN C[C@@H]1CC[C@@]23CC[C@@H](O)[C@]2(C)C(=O)C[C@@H]13 ZINC000071786102 262790537 /nfs/dbraw/zinc/79/05/37/262790537.db2.gz AXGFYFAMLSXTQS-TUFGJSMTSA-N 0 0 208.301 2.153 50 0 BEAARN CC(=O)Oc1ccccc1-c1ccno1 ZINC000226864872 187321636 /nfs/dbraw/zinc/32/16/36/187321636.db2.gz ZJLPGUQENBFXKJ-UHFFFAOYSA-N 0 0 203.197 2.267 50 0 BEAARN Cc1cc(CNC(=O)Nc2ccccc2)on1 ZINC000063813029 178014325 /nfs/dbraw/zinc/01/43/25/178014325.db2.gz RQHKLEVUYOTFSL-UHFFFAOYSA-N 0 0 231.255 2.305 50 0 BEAARN Cc1cc(CNC(=O)c2ccc(F)cc2)on1 ZINC000044479622 178016075 /nfs/dbraw/zinc/01/60/75/178016075.db2.gz ZMBUXJXNHNOCBU-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN Cc1cc(CN[C@@H](CCO)c2ccccc2)no1 ZINC000095984411 178030380 /nfs/dbraw/zinc/03/03/80/178030380.db2.gz KQYQBNAGSQQZLM-AWEZNQCLSA-N 0 0 246.310 2.196 50 0 BEAARN Cc1cc(Cl)nc([C@@H]2CCCN(C)C2)n1 ZINC000072343832 178073419 /nfs/dbraw/zinc/07/34/19/178073419.db2.gz GERJVYMNXZRQFV-SECBINFHSA-N 0 0 225.723 2.248 50 0 BEAARN CCCc1nnc(NCc2cccc(OC)n2)o1 ZINC000170611017 136215883 /nfs/dbraw/zinc/21/58/83/136215883.db2.gz ULFIHTRVUNULBE-UHFFFAOYSA-N 0 0 248.286 2.038 50 0 BEAARN Cc1cc(CSC[C@H](O)C(F)(F)F)no1 ZINC000191098745 178052173 /nfs/dbraw/zinc/05/21/73/178052173.db2.gz HPSFBAFTSRZPMD-ZETCQYMHSA-N 0 0 241.234 2.139 50 0 BEAARN Cc1cc(CSc2nnc(C)s2)no1 ZINC000048362000 178053149 /nfs/dbraw/zinc/05/31/49/178053149.db2.gz FVZSZDUUNVQFBP-UHFFFAOYSA-N 0 0 227.314 2.435 50 0 BEAARN Cc1cc(CSc2nncn2C2CC2)on1 ZINC000040485849 178053416 /nfs/dbraw/zinc/05/34/16/178053416.db2.gz RVTKEYPNQFDEDR-UHFFFAOYSA-N 0 0 236.300 2.202 50 0 BEAARN Cn1cnnc1SCCSC(C)(C)C ZINC000241173062 398160036 /nfs/dbraw/zinc/16/00/36/398160036.db2.gz KFRYARJXYMIKHB-UHFFFAOYSA-N 0 0 231.390 2.439 50 0 BEAARN Cc1cc(Cl)ccc1-n1c(=O)[nH]nc1C1CC1 ZINC000065397483 178065441 /nfs/dbraw/zinc/06/54/41/178065441.db2.gz XCNFKAZLFAJBCO-UHFFFAOYSA-N 0 0 249.701 2.400 50 0 BEAARN Cc1cc(Cl)n2nc(C3CCC3)nc2n1 ZINC000085389272 178071212 /nfs/dbraw/zinc/07/12/12/178071212.db2.gz XTWJFBUSWJCTAG-UHFFFAOYSA-N 0 0 222.679 2.354 50 0 BEAARN Cc1cc(F)cc(C(=O)N[C@@H](C)c2ncon2)c1 ZINC000095994433 178077129 /nfs/dbraw/zinc/07/71/29/178077129.db2.gz RVSJVRACQXXYKD-QMMMGPOBSA-N 0 0 249.245 2.008 50 0 BEAARN Cc1cc(N(CCCO)CC(C)(C)C)ncn1 ZINC000095975481 178102775 /nfs/dbraw/zinc/10/27/75/178102775.db2.gz BIQQDIVEGOQFBO-UHFFFAOYSA-N 0 0 237.347 2.020 50 0 BEAARN Cc1cc(N)c(F)cc1Br ZINC000002541316 178103616 /nfs/dbraw/zinc/10/36/16/178103616.db2.gz NBRIVALIHOZFTH-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cc(N)nc(SCC(=O)C(C)(C)C)n1 ZINC000031745556 178110051 /nfs/dbraw/zinc/11/00/51/178110051.db2.gz GRPPKFKQCYTQGB-UHFFFAOYSA-N 0 0 239.344 2.075 50 0 BEAARN Cc1cc(N)nc(Nc2ccc(F)cc2F)n1 ZINC000075156691 178110209 /nfs/dbraw/zinc/11/02/09/178110209.db2.gz QKSACXABEHSRNQ-UHFFFAOYSA-N 0 0 236.225 2.389 50 0 BEAARN Cc1cc(N)nn1Cc1ccccc1Cl ZINC000002537766 178111572 /nfs/dbraw/zinc/11/15/72/178111572.db2.gz FEAJPHNZDGHPCP-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN Cc1cc(NC(=O)NC2CCCCC2)n(C)n1 ZINC000027934037 178138960 /nfs/dbraw/zinc/13/89/60/178138960.db2.gz AYTDBEKIZOCVRV-UHFFFAOYSA-N 0 0 236.319 2.183 50 0 BEAARN Cc1cc(NC(=O)Cc2ccccc2)on1 ZINC000013596827 178133606 /nfs/dbraw/zinc/13/36/06/178133606.db2.gz BJNZFEIQRLPCCF-UHFFFAOYSA-N 0 0 216.240 2.164 50 0 BEAARN Cc1cc(NC(=O)Cc2cccc(F)c2)n[nH]1 ZINC000048602401 178134160 /nfs/dbraw/zinc/13/41/60/178134160.db2.gz FAKOCDGHKXNXSJ-UHFFFAOYSA-N 0 0 233.246 2.038 50 0 BEAARN Cc1cc(NC(=O)Cc2ccccc2C)n[nH]1 ZINC000048602475 178134372 /nfs/dbraw/zinc/13/43/72/178134372.db2.gz XPXMFIHDGYGWGN-UHFFFAOYSA-N 0 0 229.283 2.208 50 0 BEAARN CCC(CC)C(=O)Nc1ccccc1C(N)=O ZINC000000987386 168341469 /nfs/dbraw/zinc/34/14/69/168341469.db2.gz RHCHLJOFUAFRRM-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN Cc1cc(NC(=O)C[C@H]2C=CCC2)n(C)n1 ZINC000043839201 178134722 /nfs/dbraw/zinc/13/47/22/178134722.db2.gz DBOJNDJUIJTNJF-JTQLQIEISA-N 0 0 219.288 2.023 50 0 BEAARN Cc1cc(NC(=O)N2CCO[C@@H](C)[C@H]2C)ccn1 ZINC000097048797 178137461 /nfs/dbraw/zinc/13/74/61/178137461.db2.gz XONISPZCCCJNSX-MNOVXSKESA-N 0 0 249.314 2.031 50 0 BEAARN Cc1cc(NC(=O)N[C@@H](C)c2ccccn2)no1 ZINC000044889588 178140137 /nfs/dbraw/zinc/14/01/37/178140137.db2.gz ABSORLAHGGPNAT-VIFPVBQESA-N 0 0 246.270 2.261 50 0 BEAARN Cc1cc(NC(=O)OCC(F)(F)F)no1 ZINC000007786508 178144104 /nfs/dbraw/zinc/14/41/04/178144104.db2.gz UVBWNZYCADZTSK-UHFFFAOYSA-N 0 0 224.138 2.094 50 0 BEAARN Cc1cc(NC(=O)c2cccc(F)c2)n[nH]1 ZINC000005401783 178149739 /nfs/dbraw/zinc/14/97/39/178149739.db2.gz FVDYEGZNRJONFD-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN Cc1cc(NC(=O)c2ccc(F)cc2)n[nH]1 ZINC000042653301 178149954 /nfs/dbraw/zinc/14/99/54/178149954.db2.gz FCLNZFDBOACSBX-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN Cc1cc(NC(=O)c2ccc(F)cc2)no1 ZINC000002995925 178150666 /nfs/dbraw/zinc/15/06/66/178150666.db2.gz NXZKRFCBQXDOQK-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CCO[C@@H](C)c1ccc(-c2nnc(CO)[nH]2)cc1 ZINC000426717017 398218668 /nfs/dbraw/zinc/21/86/68/398218668.db2.gz ROOQGFKRPHWWFD-VIFPVBQESA-N 0 0 247.298 2.062 50 0 BEAARN Cc1cc(NC(=O)c2cccs2)n(C)n1 ZINC000011694266 178151475 /nfs/dbraw/zinc/15/14/75/178151475.db2.gz PUZYPSWZILJFFU-UHFFFAOYSA-N 0 0 221.285 2.042 50 0 BEAARN C[C@H](Nc1cnccn1)[C@@H]1COc2ccccc21 ZINC000241316725 187329125 /nfs/dbraw/zinc/32/91/25/187329125.db2.gz LUJDZDRDCLRGDS-JQWIXIFHSA-N 0 0 241.294 2.453 50 0 BEAARN CN(C)c1ccc(Br)cc1C=O ZINC000074937934 398209891 /nfs/dbraw/zinc/20/98/91/398209891.db2.gz KELBDTNCLYIYKB-UHFFFAOYSA-N 0 0 228.089 2.328 50 0 BEAARN Cc1cc(NC(C)C)c(C(N)=O)cc1F ZINC000095410313 178153810 /nfs/dbraw/zinc/15/38/10/178153810.db2.gz BMMVFODDJLKDJX-UHFFFAOYSA-N 0 0 210.252 2.053 50 0 BEAARN O=C(NC(=O)N1CCCCC1)c1ccccc1 ZINC000000614909 259300741 /nfs/dbraw/zinc/30/07/41/259300741.db2.gz ARSORTNBCOCBBJ-UHFFFAOYSA-N 0 0 232.283 2.022 50 0 BEAARN CC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000166313800 259302156 /nfs/dbraw/zinc/30/21/56/259302156.db2.gz BUWFDKWFDQOQPF-UHFFFAOYSA-N 0 0 204.151 2.059 50 0 BEAARN Cc1cc(Nc2ccc(O)cc2)ncn1 ZINC000011731184 178192581 /nfs/dbraw/zinc/19/25/81/178192581.db2.gz ZNBHXVDGSCDXCL-UHFFFAOYSA-N 0 0 201.229 2.234 50 0 BEAARN Cc1cc(=O)c2c(N)ccc(Cl)c2[nH]1 ZINC000012422101 178197792 /nfs/dbraw/zinc/19/77/92/178197792.db2.gz GQFVXZGRBFWVBC-UHFFFAOYSA-N 0 0 208.648 2.484 50 0 BEAARN Cc1cc(O)cc2c1C(=O)CC(C)(C)O2 ZINC000000083214 178200016 /nfs/dbraw/zinc/20/00/16/178200016.db2.gz RDRXIUHZBNIYAV-UHFFFAOYSA-N 0 0 206.241 2.444 50 0 BEAARN Cc1cc2ccc(C)nc2c(OCCO)c1 ZINC000240871472 178211246 /nfs/dbraw/zinc/21/12/46/178211246.db2.gz IKVIFWBOSDUTIH-UHFFFAOYSA-N 0 0 217.268 2.223 50 0 BEAARN Cc1cc(O[C@@H](C)C(N)=O)cc(C)c1Cl ZINC000033433838 178213586 /nfs/dbraw/zinc/21/35/86/178213586.db2.gz JPRVDCGRAXDIKX-QMMMGPOBSA-N 0 0 227.691 2.209 50 0 BEAARN Cc1cc(S(=O)(=O)N(C)C)c(C)cc1Cl ZINC000011613787 178215716 /nfs/dbraw/zinc/21/57/16/178215716.db2.gz VGWGWXMPOFBDSV-UHFFFAOYSA-N 0 0 247.747 2.207 50 0 BEAARN Cc1cc(S[C@@H]2CCO[C@H]2C)ncn1 ZINC000096484038 178219245 /nfs/dbraw/zinc/21/92/45/178219245.db2.gz OUSLERQSKDTGFE-DTWKUNHWSA-N 0 0 210.302 2.055 50 0 BEAARN Cc1ccnc(N2CC[C@@H](OC(C)(C)C)C2)n1 ZINC000170601941 361779415 /nfs/dbraw/zinc/77/94/15/361779415.db2.gz PPQGEUUQHINQSA-LLVKDONJSA-N 0 0 235.331 2.179 50 0 BEAARN CC[C@@H](C)C(=O)NCCN1Cc2ccccc2C1 ZINC000170593470 361765418 /nfs/dbraw/zinc/76/54/18/361765418.db2.gz ITVUUQNFTJKCNP-GFCCVEGCSA-N 0 0 246.354 2.165 50 0 BEAARN O=C(Nc1cc(C(F)(F)F)ccn1)C1CC1 ZINC000170593484 361765520 /nfs/dbraw/zinc/76/55/20/361765520.db2.gz OGTHPTSRPRYISE-UHFFFAOYSA-N 0 0 230.189 2.449 50 0 BEAARN CCOCC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000170593488 361765549 /nfs/dbraw/zinc/76/55/49/361765549.db2.gz LUKDNJUSDRAHIK-UHFFFAOYSA-N 0 0 248.204 2.075 50 0 BEAARN CC(=O)c1ccc(F)cc1NCc1nccn1C ZINC000170594128 361766681 /nfs/dbraw/zinc/76/66/81/361766681.db2.gz FDTFFCMFRHZDJW-UHFFFAOYSA-N 0 0 247.273 2.374 50 0 BEAARN CCN(CC)C(=O)Cc1ccc(OC)cc1 ZINC000000029533 343991011 /nfs/dbraw/zinc/99/10/11/343991011.db2.gz JGRTUMKNQTUPPA-UHFFFAOYSA-N 0 0 221.300 2.106 50 0 BEAARN CCn1cc(CC(=O)OCC(C)(C)C)cn1 ZINC000170602512 361787110 /nfs/dbraw/zinc/78/71/10/361787110.db2.gz MGXZVKATXYCVMG-UHFFFAOYSA-N 0 0 224.304 2.035 50 0 BEAARN Cc1cc(Cl)cc(C)c1CNc1nn[nH]n1 ZINC000170603097 361788484 /nfs/dbraw/zinc/78/84/84/361788484.db2.gz JOSLDGBOJMOUGD-UHFFFAOYSA-N 0 0 237.694 2.082 50 0 BEAARN COc1ccc(N[C@H](C)c2c[nH]nc2C)cn1 ZINC000170604063 361793873 /nfs/dbraw/zinc/79/38/73/361793873.db2.gz FQVZKSXCGLTDRY-MRVPVSSYSA-N 0 0 232.287 2.295 50 0 BEAARN Cn1cnnc1S[C@@H]1CC(C)(C)OC1(C)C ZINC000170605500 361795518 /nfs/dbraw/zinc/79/55/18/361795518.db2.gz YPQYUFHROPSABS-MRVPVSSYSA-N 0 0 241.360 2.253 50 0 BEAARN O=C(OCCF)c1ncccc1C(F)(F)F ZINC000097113055 398237238 /nfs/dbraw/zinc/23/72/38/398237238.db2.gz WWARYFKPPIOSGE-UHFFFAOYSA-N 0 0 237.152 2.227 50 0 BEAARN Cc1cc([C@H]2CCCN2Cc2nnc(C)o2)on1 ZINC000048275672 178267668 /nfs/dbraw/zinc/26/76/68/178267668.db2.gz RIWBXPROZQXCIW-SNVBAGLBSA-N 0 0 248.286 2.012 50 0 BEAARN Cc1cc2c(cn1)n[nH]c2Br ZINC000095616344 178278466 /nfs/dbraw/zinc/27/84/66/178278466.db2.gz NKFFPLLFBPKILJ-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN O=C(OCc1cncs1)c1cncc(F)c1 ZINC000097138936 398243097 /nfs/dbraw/zinc/24/30/97/398243097.db2.gz YFJGEJKPTJAQPN-UHFFFAOYSA-N 0 0 238.243 2.034 50 0 BEAARN Cc1cc2nc(C(C)(C)O)[nH]c2cc1C ZINC000000393803 178299683 /nfs/dbraw/zinc/29/96/83/178299683.db2.gz LMSCYAAQLBYOQS-UHFFFAOYSA-N 0 0 204.273 2.407 50 0 BEAARN Cc1cc2ncn(CCC3OCCO3)c2cc1C ZINC000120143604 178305417 /nfs/dbraw/zinc/30/54/17/178305417.db2.gz OHTPPDAGTDRSOB-UHFFFAOYSA-N 0 0 246.310 2.416 50 0 BEAARN Cc1cc2nccc(C(F)(F)F)n2n1 ZINC000020281523 178303587 /nfs/dbraw/zinc/30/35/87/178303587.db2.gz MQKKJVKNIYOZEN-UHFFFAOYSA-N 0 0 201.151 2.057 50 0 BEAARN Cc1cc2ccc(Cl)cc2[nH]c1=NN ZINC000011633998 178296959 /nfs/dbraw/zinc/29/69/59/178296959.db2.gz DXOMKWXSCZHPRO-UHFFFAOYSA-N 0 0 207.664 2.482 50 0 BEAARN Cc1ccc2cc(C(=O)N3CCCO3)[nH]c2c1 ZINC000097163159 398249861 /nfs/dbraw/zinc/24/98/61/398249861.db2.gz ZLSRLTSEWUIEDT-UHFFFAOYSA-N 0 0 230.267 2.254 50 0 BEAARN Cc1cc2oc(N)nc2cc1Br ZINC000228902864 178307748 /nfs/dbraw/zinc/30/77/48/178307748.db2.gz OTQOUELJDKZUQI-UHFFFAOYSA-N 0 0 227.061 2.481 50 0 BEAARN Cc1ccc(-c2nc3ncccn3c2N)cc1 ZINC000061965996 178338263 /nfs/dbraw/zinc/33/82/63/178338263.db2.gz IOAZPXBUYYJTIH-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN Cc1ccc(-c2nn3cnnc3s2)cc1C ZINC000004839311 178339424 /nfs/dbraw/zinc/33/94/24/178339424.db2.gz ZANYWFLMDOXRAP-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN Cc1ccc(-c2nnc3ccc(=S)[nH]n32)cc1 ZINC000070635262 178342755 /nfs/dbraw/zinc/34/27/55/178342755.db2.gz RJICKZQTFDKDJN-UHFFFAOYSA-N 0 0 242.307 2.388 50 0 BEAARN Cc1ccc(-c2noc(Cc3cc[nH]n3)n2)cc1 ZINC000193196509 178344167 /nfs/dbraw/zinc/34/41/67/178344167.db2.gz DZGTTZPAFUESQB-UHFFFAOYSA-N 0 0 240.266 2.359 50 0 BEAARN Cc1ccc(-n2c(C)cc(C)nc2=O)cc1 ZINC000000189445 178344840 /nfs/dbraw/zinc/34/48/40/178344840.db2.gz LIDIMVIRXSTTKO-UHFFFAOYSA-N 0 0 214.268 2.158 50 0 BEAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCC2)cc1 ZINC000065463216 178346271 /nfs/dbraw/zinc/34/62/71/178346271.db2.gz DRHRCWZHZBUPSK-UHFFFAOYSA-N 0 0 229.283 2.137 50 0 BEAARN Cc1ccc(-n2ncc3c2nc[nH]c3=S)cc1 ZINC000006767776 178349528 /nfs/dbraw/zinc/34/95/28/178349528.db2.gz ALRZQRZZXZITMZ-UHFFFAOYSA-N 0 0 242.307 2.413 50 0 BEAARN Cc1ccc(-c2n[nH]cc2CNc2cn[nH]c2)o1 ZINC000037260930 178331836 /nfs/dbraw/zinc/33/18/36/178331836.db2.gz CVDGMSGKRYJQKC-UHFFFAOYSA-N 0 0 243.270 2.313 50 0 BEAARN Cc1ccc(C(=O)Cn2cccn2)cc1 ZINC000001387742 178374293 /nfs/dbraw/zinc/37/42/93/178374293.db2.gz RSQDOJRZIJKRQI-UHFFFAOYSA-N 0 0 200.241 2.074 50 0 BEAARN CSc1ncccc1C(=O)N1CCCC1 ZINC000032666393 538950660 /nfs/dbraw/zinc/95/06/60/538950660.db2.gz NVMKKNCLFDOZEG-UHFFFAOYSA-N 0 0 222.313 2.040 50 0 BEAARN Cc1ccc(C(=O)N(C)C)cc1Br ZINC000000391497 178374699 /nfs/dbraw/zinc/37/46/99/178374699.db2.gz ZJTGELVJIBIXDZ-UHFFFAOYSA-N 0 0 242.116 2.459 50 0 BEAARN CN(C)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000036393854 398267809 /nfs/dbraw/zinc/26/78/09/398267809.db2.gz GJIXYDIOQJSQAC-UHFFFAOYSA-N 0 0 228.295 2.108 50 0 BEAARN CC(C)C[C@@H](C)N(C)C(=O)n1ccnc1 ZINC000032779628 538950806 /nfs/dbraw/zinc/95/08/06/538950806.db2.gz LJCSTQABPABLJD-SNVBAGLBSA-N 0 0 209.293 2.218 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@@H](CO)C2)c(C)c1 ZINC000012975722 178387447 /nfs/dbraw/zinc/38/74/47/178387447.db2.gz XNBHJPZRGBNUMT-CYBMUJFWSA-N 0 0 247.338 2.148 50 0 BEAARN C[C@]1(c2ccccn2)Nc2ccccc2C(=O)N1 ZINC000032666117 538950220 /nfs/dbraw/zinc/95/02/20/538950220.db2.gz DKVAJKLDHDZPMD-AWEZNQCLSA-N 0 0 239.278 2.110 50 0 BEAARN O=C(Nc1ccncc1Cl)C1CCC1 ZINC000032731836 538950411 /nfs/dbraw/zinc/95/04/11/538950411.db2.gz SPSXWAOLHAXPBS-UHFFFAOYSA-N 0 0 210.664 2.474 50 0 BEAARN Cc1ccc(C(=O)N2CCOCC2(C)C)cc1 ZINC000036101956 178393258 /nfs/dbraw/zinc/39/32/58/178393258.db2.gz PELCNTPLSPIYAV-UHFFFAOYSA-N 0 0 233.311 2.246 50 0 BEAARN Cc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000000029559 178416859 /nfs/dbraw/zinc/41/68/59/178416859.db2.gz VDNOJWSBXQNXBF-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1cnccc1C(=O)N[C@@H](C)C(C)(F)F ZINC000334635697 398271378 /nfs/dbraw/zinc/27/13/78/398271378.db2.gz VADMSZRFSYUVOH-QMMMGPOBSA-N 0 0 228.242 2.164 50 0 BEAARN CCc1nc(=NN)c2c3c(sc2[nH]1)CCCC3 ZINC000000081215 342673255 /nfs/dbraw/zinc/67/32/55/342673255.db2.gz URJKUEBEEOHZFE-UHFFFAOYSA-N 0 0 248.355 2.418 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000000092343 342673979 /nfs/dbraw/zinc/67/39/79/342673979.db2.gz QGHQDRDWQIHGKZ-MRVPVSSYSA-N 0 0 234.082 2.468 50 0 BEAARN Cc1ccc(Cl)cc1N1C(=O)C=CC1=O ZINC000000096620 342674019 /nfs/dbraw/zinc/67/40/19/342674019.db2.gz USHHDORZAHXENN-UHFFFAOYSA-N 0 0 221.643 2.078 50 0 BEAARN O=C1CS[C@H](c2ccncc2)N1CC1CC1 ZINC000000101043 342674389 /nfs/dbraw/zinc/67/43/89/342674389.db2.gz RBPZSZSKFDJAAG-GFCCVEGCSA-N 0 0 234.324 2.066 50 0 BEAARN O=C1CS[C@@H](c2ccncc2)N1CC1CC1 ZINC000000101038 342674486 /nfs/dbraw/zinc/67/44/86/342674486.db2.gz RBPZSZSKFDJAAG-LBPRGKRZSA-N 0 0 234.324 2.066 50 0 BEAARN CCCC(=O)c1ccc(NC(C)=O)cc1O ZINC000000105283 342674663 /nfs/dbraw/zinc/67/46/63/342674663.db2.gz RSBIKRQPSYDRFZ-UHFFFAOYSA-N 0 0 221.256 2.333 50 0 BEAARN O=C(Oc1cccc(Cl)c1)N1CCOCC1 ZINC000000152073 342677397 /nfs/dbraw/zinc/67/73/97/342677397.db2.gz NUKOJTADPJYOKS-UHFFFAOYSA-N 0 0 241.674 2.171 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000000153466 342677457 /nfs/dbraw/zinc/67/74/57/342677457.db2.gz BIOQBKBTOAMMDG-LBPRGKRZSA-N 0 0 215.252 2.314 50 0 BEAARN S=c1[nH]cnc2c1cnn2-c1ccccc1 ZINC000000154608 342677771 /nfs/dbraw/zinc/67/77/71/342677771.db2.gz ZWJJSSALBGCODZ-UHFFFAOYSA-N 0 0 228.280 2.104 50 0 BEAARN CSc1ncc(C=O)n1Cc1ccccc1 ZINC000000159066 342678139 /nfs/dbraw/zinc/67/81/39/342678139.db2.gz FELACOPTUQTZRP-UHFFFAOYSA-N 0 0 232.308 2.466 50 0 BEAARN Cc1ccc(I)cc1N ZINC000000161697 342678466 /nfs/dbraw/zinc/67/84/66/342678466.db2.gz IOEHXNCBPIBDBZ-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN COC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000000167166 342678632 /nfs/dbraw/zinc/67/86/32/342678632.db2.gz JFFLBWZTJAWGNP-UHFFFAOYSA-N 0 0 220.146 2.372 50 0 BEAARN Cc1[nH]ccc(=O)c1OCc1ccc(F)cc1 ZINC000000169706 342678883 /nfs/dbraw/zinc/67/88/83/342678883.db2.gz NRHARJZIGZSOEW-UHFFFAOYSA-N 0 0 233.242 2.401 50 0 BEAARN CCC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000000171184 342679172 /nfs/dbraw/zinc/67/91/72/342679172.db2.gz ZUNXHUPAUYHHBT-SNVBAGLBSA-N 0 0 234.324 2.076 50 0 BEAARN CC(=O)N(Cc1ccco1)Cc1ccccn1 ZINC000000185761 342679585 /nfs/dbraw/zinc/67/95/85/342679585.db2.gz SMMGTFFBDPAWIC-UHFFFAOYSA-N 0 0 230.267 2.223 50 0 BEAARN Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000000189979 342679852 /nfs/dbraw/zinc/67/98/52/342679852.db2.gz IDZQVFCQHCCFCF-UHFFFAOYSA-N 0 0 228.299 2.254 50 0 BEAARN Nc1ccccc1-c1nnc2n1CCCCC2 ZINC000000189976 342679886 /nfs/dbraw/zinc/67/98/86/342679886.db2.gz VFBYIWGNEQPFKZ-UHFFFAOYSA-N 0 0 228.299 2.254 50 0 BEAARN Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000000244278 342681224 /nfs/dbraw/zinc/68/12/24/342681224.db2.gz IQYADSABMIDDAV-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN COC(=O)c1cncnc1Sc1ccccc1 ZINC000000343699 342684113 /nfs/dbraw/zinc/68/41/13/342684113.db2.gz YKPAIQSBFDARHK-UHFFFAOYSA-N 0 0 246.291 2.414 50 0 BEAARN CCCC(=O)Oc1ccccc1C(=O)OC ZINC000000363979 342685196 /nfs/dbraw/zinc/68/51/96/342685196.db2.gz TYFUSHVPRYRNFF-UHFFFAOYSA-N 0 0 222.240 2.179 50 0 BEAARN CCS(=O)(=O)Nc1cc(Cl)ccc1OC ZINC000000375922 342685388 /nfs/dbraw/zinc/68/53/88/342685388.db2.gz KBQNWSCEKPQXLK-UHFFFAOYSA-N 0 0 249.719 2.110 50 0 BEAARN COc1cc(-c2ccncn2)cc(OC)c1OC ZINC000000388877 342685790 /nfs/dbraw/zinc/68/57/90/342685790.db2.gz NZOBEJVDVNLUHF-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN CCN1CCN(c2ccc(N)cc2Cl)CC1 ZINC000000527670 342689397 /nfs/dbraw/zinc/68/93/97/342689397.db2.gz OGIDRFDLWCRRNN-UHFFFAOYSA-N 0 0 239.750 2.064 50 0 BEAARN CCOc1ccccc1NC(=O)c1cnccn1 ZINC000000418314 342687205 /nfs/dbraw/zinc/68/72/05/342687205.db2.gz KSGSQBIVZAEGBJ-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN O=C(c1ccc(Cl)nc1)N1CCCCC1 ZINC000000413108 342687390 /nfs/dbraw/zinc/68/73/90/342687390.db2.gz UNUHFUYOKPBTJU-UHFFFAOYSA-N 0 0 224.691 2.361 50 0 BEAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CCC2 ZINC000000427707 342687500 /nfs/dbraw/zinc/68/75/00/342687500.db2.gz CWEVSSWMZSWAGB-UHFFFAOYSA-N 0 0 235.283 2.407 50 0 BEAARN Cc1ccc(CC(=O)NCc2cccnc2)cc1 ZINC000000464523 342688042 /nfs/dbraw/zinc/68/80/42/342688042.db2.gz RFZKJGKWXQAEDV-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)OC2(C)C)cc1 ZINC000000477882 342688559 /nfs/dbraw/zinc/68/85/59/342688559.db2.gz APHCJZUAUZFCJR-NSHDSACASA-N 0 0 247.294 2.275 50 0 BEAARN Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000043840 342671238 /nfs/dbraw/zinc/67/12/38/342671238.db2.gz KAESCVXWIWIQKP-UHFFFAOYSA-N 0 0 218.300 2.331 50 0 BEAARN Cc1ccc(CCNc2ccccc2)c[n+]1[O-] ZINC000000054760 342671486 /nfs/dbraw/zinc/67/14/86/342671486.db2.gz FZPYMNOBFYWKFC-UHFFFAOYSA-N 0 0 228.295 2.283 50 0 BEAARN C[C@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000000860054 342693910 /nfs/dbraw/zinc/69/39/10/342693910.db2.gz QJWRRTGGLJRYAZ-TZMCWYRMSA-N 0 0 247.338 2.475 50 0 BEAARN CCOc1ccc(C(=O)Nc2nncs2)cc1 ZINC000000892736 342694184 /nfs/dbraw/zinc/69/41/84/342694184.db2.gz RWHXCOGBOKYHRW-UHFFFAOYSA-N 0 0 249.295 2.189 50 0 BEAARN Nc1ccccc1NC(=O)c1ccco1 ZINC000000873912 342694267 /nfs/dbraw/zinc/69/42/67/342694267.db2.gz QRUHQJYJVRLJEN-UHFFFAOYSA-N 0 0 202.213 2.114 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(C(=O)C2CC2)c[nH]1 ZINC000001396062 342699805 /nfs/dbraw/zinc/69/98/05/342699805.db2.gz BPIYTUMXHZURIZ-MRVPVSSYSA-N 0 0 234.299 2.136 50 0 BEAARN Cc1cccc([C@H]2Nc3ccccc3C(=O)N2)n1 ZINC000001438257 342701185 /nfs/dbraw/zinc/70/11/85/342701185.db2.gz DAIKVIYFWDNQDB-ZDUSSCGKSA-N 0 0 239.278 2.244 50 0 BEAARN O=S(=O)(c1ccccc1)c1ccc(O)cc1 ZINC000001593163 342704743 /nfs/dbraw/zinc/70/47/43/342704743.db2.gz JSUKRBMPOXGCPR-UHFFFAOYSA-N 0 0 234.276 2.225 50 0 BEAARN CC(=O)Oc1cc(C)c(OC(C)=O)c(C)c1C ZINC000001594240 342704762 /nfs/dbraw/zinc/70/47/62/342704762.db2.gz JXLWCZWBHZGUEE-UHFFFAOYSA-N 0 0 236.267 2.462 50 0 BEAARN CSc1nc(NC(C)C)nc(NC(C)C)n1 ZINC000001635499 342706622 /nfs/dbraw/zinc/70/66/22/342706622.db2.gz AAEVYOVXGOFMJO-UHFFFAOYSA-N 0 0 241.364 2.234 50 0 in-vitro BEAARN COc1cc(N)c(Br)cc1OC ZINC000001685331 342709001 /nfs/dbraw/zinc/70/90/01/342709001.db2.gz FZPJGMHMEFSPED-UHFFFAOYSA-N 0 0 232.077 2.049 50 0 BEAARN COC(=O)c1nc(Cl)nc(Cl)c1Cl ZINC000001847082 342712902 /nfs/dbraw/zinc/71/29/02/342712902.db2.gz TVFOOGACHSHHSX-UHFFFAOYSA-N 0 0 241.461 2.223 50 0 BEAARN COc1ccc2ncn(C3(C)CCC3)c(=O)c2c1 ZINC000584902739 342714140 /nfs/dbraw/zinc/71/41/40/342714140.db2.gz HLHRIMIFPIVZAR-UHFFFAOYSA-N 0 0 244.294 2.304 50 0 BEAARN CC(C)C[C@H](C)NC(=O)c1ccncc1 ZINC000002069508 342715888 /nfs/dbraw/zinc/71/58/88/342715888.db2.gz TYHNTVMSQYIYFX-JTQLQIEISA-N 0 0 206.289 2.246 50 0 BEAARN C[C@@H](O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000002160085 342716260 /nfs/dbraw/zinc/71/62/60/342716260.db2.gz VENFBZQYBFCNLS-GSVOUGTGSA-N 0 0 226.144 2.305 50 0 BEAARN Nc1cc(F)ccc1I ZINC000002389393 342719875 /nfs/dbraw/zinc/71/98/75/342719875.db2.gz UCPDOOZBROQHME-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004037250 342741239 /nfs/dbraw/zinc/74/12/39/342741239.db2.gz FVQOHMDZTOKLCP-UHFFFAOYSA-N 0 0 235.283 2.442 50 0 BEAARN O=C1COc2ccc(C(F)(F)F)cc2N1 ZINC000004194955 342743836 /nfs/dbraw/zinc/74/38/36/342743836.db2.gz LRZVYXWBGNCLDB-UHFFFAOYSA-N 0 0 217.146 2.036 50 0 BEAARN Cc1nc(Cl)ncc1Br ZINC000004208950 342744279 /nfs/dbraw/zinc/74/42/79/342744279.db2.gz IIALSLVGUGOODS-UHFFFAOYSA-N 0 0 207.458 2.201 50 0 BEAARN O=C([O-])[C@@H]1C[C@@H](CCCc2ccccc2)C[NH2+]1 ZINC000004241500 342745128 /nfs/dbraw/zinc/74/51/28/342745128.db2.gz AVAZFOPXMYXDNT-OLZOCXBDSA-N 0 0 233.311 2.072 50 0 BEAARN Cc1[nH]nc(Br)c1Br ZINC000004552394 342749053 /nfs/dbraw/zinc/74/90/53/342749053.db2.gz HKWXBKMXJLNKLC-UHFFFAOYSA-N 0 0 239.898 2.243 50 0 BEAARN Cc1nc(CC(=O)c2ccc(O)cc2O)cs1 ZINC000002474157 342720952 /nfs/dbraw/zinc/72/09/52/342720952.db2.gz ZYUKDDGJESKRAK-UHFFFAOYSA-N 0 0 249.291 2.288 50 0 biogenic BEAARN [NH3+][C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000002527716 342722676 /nfs/dbraw/zinc/72/26/76/342722676.db2.gz NHRIRGQUPAYPDT-ZETCQYMHSA-N 0 0 220.055 2.078 50 0 BEAARN Cc1cc(C)cc(OCC2N=NC(=S)N2C)c1 ZINC000002526639 342722752 /nfs/dbraw/zinc/72/27/52/342722752.db2.gz LQLFVZTUJLBZGP-UHFFFAOYSA-N 0 0 249.339 2.300 50 0 BEAARN Nc1cnn(COc2ccccc2Cl)c1 ZINC000002535033 342723092 /nfs/dbraw/zinc/72/30/92/342723092.db2.gz BVGLCOCXWJCHGX-UHFFFAOYSA-N 0 0 223.663 2.155 50 0 BEAARN Nc1cnn(COc2cccc(Cl)c2)c1 ZINC000002535032 342723108 /nfs/dbraw/zinc/72/31/08/342723108.db2.gz IEEOTFKZXXMMJO-UHFFFAOYSA-N 0 0 223.663 2.155 50 0 BEAARN Nc1cnn(Cc2c(F)c(F)cc(F)c2F)c1 ZINC000002534275 342723124 /nfs/dbraw/zinc/72/31/24/342723124.db2.gz IIKSOROXFZKDFT-UHFFFAOYSA-N 0 0 245.179 2.070 50 0 BEAARN Cc1cc(N)n([C@@H](C)c2cccs2)n1 ZINC000004575271 342749412 /nfs/dbraw/zinc/74/94/12/342749412.db2.gz GKGBOYIMUQCWHY-QMMMGPOBSA-N 0 0 207.302 2.445 50 0 BEAARN Cn1c2ccccc2cc(Br)c1=O ZINC000002559918 342724319 /nfs/dbraw/zinc/72/43/19/342724319.db2.gz FSLMLEUYCWVPBN-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000002575635 342725329 /nfs/dbraw/zinc/72/53/29/342725329.db2.gz MVUQWYZNNRALPX-ZETCQYMHSA-N 0 0 248.109 2.338 50 0 BEAARN CCCC(=O)NCCCc1nc2ccccc2[nH]1 ZINC000002721562 342726698 /nfs/dbraw/zinc/72/66/98/342726698.db2.gz XWSXQEPMLHHNST-UHFFFAOYSA-N 0 0 245.326 2.412 50 0 BEAARN COC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002842966 342727186 /nfs/dbraw/zinc/72/71/86/342727186.db2.gz MEGJGBDBTDVEIL-UHFFFAOYSA-N 0 0 234.207 2.247 50 0 BEAARN COC(=O)NCCOc1cc(C)ccc1C ZINC000002863166 342727538 /nfs/dbraw/zinc/72/75/38/342727538.db2.gz UBAIBRRHCAYDKU-UHFFFAOYSA-N 0 0 223.272 2.038 50 0 BEAARN CC(=O)NCCOc1cccc2ccccc21 ZINC000002873720 342727603 /nfs/dbraw/zinc/72/76/03/342727603.db2.gz QZMMQGANMLMRKR-UHFFFAOYSA-N 0 0 229.279 2.355 50 0 BEAARN CCCc1ccc(OCCNC(C)=O)cc1 ZINC000003163420 342731010 /nfs/dbraw/zinc/73/10/10/342731010.db2.gz HRYDVTMVHGQPEJ-UHFFFAOYSA-N 0 0 221.300 2.154 50 0 BEAARN COc1cc(O)c(C(C)=O)cc1Br ZINC000003198416 342731537 /nfs/dbraw/zinc/73/15/37/342731537.db2.gz KFFNBIVASILHIH-UHFFFAOYSA-N 0 0 245.072 2.366 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000003382578 342733052 /nfs/dbraw/zinc/73/30/52/342733052.db2.gz SATTYGCLXDRHGG-NSHDSACASA-N 0 0 205.257 2.113 50 0 BEAARN Clc1ccc(CNc2nn[nH]n2)cc1Cl ZINC000004657613 342749890 /nfs/dbraw/zinc/74/98/90/342749890.db2.gz NNKKNMMGFIGJTQ-UHFFFAOYSA-N 0 0 244.085 2.119 50 0 BEAARN Cc1cc(C)n(Cc2nc(C)nn2C(C)(C)C)n1 ZINC000584903782 342736632 /nfs/dbraw/zinc/73/66/32/342736632.db2.gz KJRALDKAUTWQNM-UHFFFAOYSA-N 0 0 247.346 2.203 50 0 BEAARN O=[S@](c1ccccc1)N1CCCCC1 ZINC000004656293 342749984 /nfs/dbraw/zinc/74/99/84/342749984.db2.gz LBRJCAJLGAXDKP-AWEZNQCLSA-N 0 0 209.314 2.195 50 0 BEAARN CSCc1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000004002859 342740461 /nfs/dbraw/zinc/74/04/61/342740461.db2.gz UEBMPZNUJVXRMW-UHFFFAOYSA-N 0 0 233.296 2.107 50 0 BEAARN CCOc1cccc(/C=C2\SC(=N)NC2=O)c1 ZINC000004755227 342751842 /nfs/dbraw/zinc/75/18/42/342751842.db2.gz SZENYBXCBSGUTP-YFHOEESVSA-N 0 0 248.307 2.224 50 0 BEAARN Cc1ccc(OC(=O)C(F)(F)F)cc1 ZINC000004977519 342755305 /nfs/dbraw/zinc/75/53/05/342755305.db2.gz HGHGGPKMLBWNBI-UHFFFAOYSA-N 0 0 204.147 2.463 50 0 BEAARN Cc1nc(C(=O)OC[C@H]2C[C@H]2C)cs1 ZINC000170621292 361891654 /nfs/dbraw/zinc/89/16/54/361891654.db2.gz IUMXXYSIBNTITD-HTRCEHHLSA-N 0 0 211.286 2.264 50 0 BEAARN CCC(CC)NC(=O)c1ccc2c(c1)OCCO2 ZINC000006840312 168386161 /nfs/dbraw/zinc/38/61/61/168386161.db2.gz VVEOQWBBOXOFSL-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)c(C)c1 ZINC000005538590 342765517 /nfs/dbraw/zinc/76/55/17/342765517.db2.gz PMAWUMLIODPLBT-LBPRGKRZSA-N 0 0 219.284 2.421 50 0 BEAARN CC1=C(C(=O)c2ccccc2)[C@H](C)NC(=S)N1 ZINC000005529002 342765551 /nfs/dbraw/zinc/76/55/51/342765551.db2.gz ATXQDHMHWZMULU-QMMMGPOBSA-N 0 0 246.335 2.010 50 0 BEAARN Cc1cc(=O)[nH]c(Nc2ccc(C)c(C)c2)n1 ZINC000005626010 342767517 /nfs/dbraw/zinc/76/75/17/342767517.db2.gz PUIRZTOXGBNJJH-UHFFFAOYSA-N 0 0 229.283 2.439 50 0 BEAARN COc1cc(NC(=O)C2CCC2)cc(OC)c1 ZINC000005681914 342768394 /nfs/dbraw/zinc/76/83/94/342768394.db2.gz BWXYQAXXAICJHJ-UHFFFAOYSA-N 0 0 235.283 2.442 50 0 BEAARN O=S=Nc1ccc(Br)cc1 ZINC000006093040 342773597 /nfs/dbraw/zinc/77/35/97/342773597.db2.gz FWUHQYMZUJVSQS-UHFFFAOYSA-N 0 0 218.075 2.477 50 0 BEAARN Nc1ccc2[nH]c(-c3cccnc3)nc2c1 ZINC000006493908 342778557 /nfs/dbraw/zinc/77/85/57/342778557.db2.gz PZIMYJGAHSBALP-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN Cc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000006212789 342775280 /nfs/dbraw/zinc/77/52/80/342775280.db2.gz NNCXQDRDIJVINL-GFCCVEGCSA-N 0 0 234.299 2.296 50 0 BEAARN COc1cc(Cl)c(C=O)cc1OC ZINC000004702170 342750702 /nfs/dbraw/zinc/75/07/02/342750702.db2.gz KTLBJNXLHDMIRZ-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN CCCc1ccccc1OCCNC(C)=O ZINC000004714449 342750982 /nfs/dbraw/zinc/75/09/82/342750982.db2.gz XUNHNEZVPXNXLS-UHFFFAOYSA-N 0 0 221.300 2.154 50 0 BEAARN CCCC(=O)N1CCC(c2ccc(OC)cc2)=N1 ZINC000004725108 342751257 /nfs/dbraw/zinc/75/12/57/342751257.db2.gz GLTKSJOPNWZDLZ-UHFFFAOYSA-N 0 0 246.310 2.432 50 0 BEAARN Nc1nc2ccc(Br)cc2o1 ZINC000008581628 342800802 /nfs/dbraw/zinc/80/08/02/342800802.db2.gz APUYIVHTTCCVMF-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN CCCCc1c(C)nc(N2CCCC2)[nH]c1=O ZINC000008648776 342801390 /nfs/dbraw/zinc/80/13/90/342801390.db2.gz QCPJEEIERYUAOK-UHFFFAOYSA-N 0 0 235.331 2.021 50 0 BEAARN CN(C)c1nnc(Cl)c2ccccc21 ZINC000002391420 342778959 /nfs/dbraw/zinc/77/89/59/342778959.db2.gz OTRHXNNNQDQJDS-UHFFFAOYSA-N 0 0 207.664 2.349 50 0 BEAARN O=c1[nH]c(Nc2ccc(O)cc2)cs1 ZINC000006534067 342779131 /nfs/dbraw/zinc/77/91/31/342779131.db2.gz AHWCHZIQPYFQCK-UHFFFAOYSA-N 0 0 208.242 2.069 50 0 BEAARN Cc1ccc(OCC2N=NC(=S)N2C)cc1C ZINC000006556861 342779445 /nfs/dbraw/zinc/77/94/45/342779445.db2.gz WNCGIBVZZUUYNL-UHFFFAOYSA-N 0 0 249.339 2.300 50 0 BEAARN [NH3+][C@@H](CCCCC(=O)[O-])c1ccccc1 ZINC000006575713 342779571 /nfs/dbraw/zinc/77/95/71/342779571.db2.gz UINZQZCZNDPKGX-NSHDSACASA-N 0 0 207.273 2.331 50 0 BEAARN CCC(CC)NS(=O)(=O)c1cccs1 ZINC000006725866 168389602 /nfs/dbraw/zinc/38/96/02/168389602.db2.gz OILUFRTZRYVFKZ-UHFFFAOYSA-N 0 0 233.358 2.215 50 0 BEAARN CCN1CCN(C(=S)Nc2ccccc2)CC1 ZINC000006673302 342780879 /nfs/dbraw/zinc/78/08/79/342780879.db2.gz BHFMQKJHWHYJOL-UHFFFAOYSA-N 0 0 249.383 2.021 50 0 BEAARN CCC(CC)NS(=O)(=O)c1ccc(C)cc1 ZINC000002772629 168390108 /nfs/dbraw/zinc/39/01/08/168390108.db2.gz ZAOVRQIREFYYFH-UHFFFAOYSA-N 0 0 241.356 2.462 50 0 BEAARN COC(=O)CN1CCC[C@H]1c1cccc(OC)c1 ZINC000054992645 398284912 /nfs/dbraw/zinc/28/49/12/398284912.db2.gz ZZERTFOAAKLPRA-ZDUSSCGKSA-N 0 0 249.310 2.005 50 0 BEAARN COCc1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000008701288 342802893 /nfs/dbraw/zinc/80/28/93/342802893.db2.gz RUOLMSGFFDAALU-UHFFFAOYSA-N 0 0 237.690 2.459 50 0 BEAARN Cc1ccc(N2C(=O)CCC2=O)cc1Cl ZINC000000406633 342788278 /nfs/dbraw/zinc/78/82/78/342788278.db2.gz VQMWMBHXZMUFPW-UHFFFAOYSA-N 0 0 223.659 2.302 50 0 BEAARN CC[C@@H](N[C@@H]1CCCSC1)c1noc(C)n1 ZINC000097370982 342788888 /nfs/dbraw/zinc/78/88/88/342788888.db2.gz PMAVAISMEZLQPN-NXEZZACHSA-N 0 0 241.360 2.314 50 0 BEAARN O=C(CN1CCCCC1)c1ccccc1F ZINC000003291387 342789024 /nfs/dbraw/zinc/78/90/24/342789024.db2.gz CNJQXAAQKCJEDB-UHFFFAOYSA-N 0 0 221.275 2.494 50 0 BEAARN COc1ccc(N(C)C(=O)C[C@H]2C=CCC2)cn1 ZINC000065741156 361901069 /nfs/dbraw/zinc/90/10/69/361901069.db2.gz SQOCPHHKGGPEDE-NSHDSACASA-N 0 0 246.310 2.409 50 0 BEAARN O=c1cc(C[NH+]2CCCC2)c2ccc(O)cc2o1 ZINC000007380973 342791078 /nfs/dbraw/zinc/79/10/78/342791078.db2.gz UJVZAUBWPMKTOP-UHFFFAOYSA-N 0 0 245.278 2.094 50 0 BEAARN Cc1cncc(C(=O)OCc2cncs2)c1 ZINC000097377077 342792083 /nfs/dbraw/zinc/79/20/83/342792083.db2.gz JLKQSQYKOWCKFL-UHFFFAOYSA-N 0 0 234.280 2.204 50 0 BEAARN COC(=O)c1cccnc1Sc1ccccn1 ZINC000008717100 342803140 /nfs/dbraw/zinc/80/31/40/342803140.db2.gz HNEDGIRTGXCNSZ-UHFFFAOYSA-N 0 0 246.291 2.414 50 0 BEAARN CCCC(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000157641639 342810322 /nfs/dbraw/zinc/81/03/22/342810322.db2.gz NRWYPJZZQNLJEX-AWEZNQCLSA-N 0 0 246.354 2.302 50 0 BEAARN Cc1cccc(-c2cnc(=O)[nH]c2)c1C ZINC000032540710 342810523 /nfs/dbraw/zinc/81/05/23/342810523.db2.gz AWKBFLSZEOVZSV-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN CCCn1cnc2cc(C(=O)[O-])ccc21 ZINC000009280123 342811858 /nfs/dbraw/zinc/81/18/58/342811858.db2.gz CXCPALYFUUONGJ-UHFFFAOYSA-N 0 0 204.229 2.145 50 0 BEAARN CN1C(=S)N=NC1c1cc(F)ccc1F ZINC000009305896 342812259 /nfs/dbraw/zinc/81/22/59/342812259.db2.gz IQTIADNJPUOUMO-UHFFFAOYSA-N 0 0 227.239 2.049 50 0 BEAARN Cc1nc(CN2c3ccccc3C[C@@H]2C)no1 ZINC000051087616 346863780 /nfs/dbraw/zinc/86/37/80/346863780.db2.gz UNBUBMGTWCNPGD-VIFPVBQESA-N 0 0 229.283 2.329 50 0 BEAARN O=C1C[C@H](c2ccccc2)Cc2n[nH]cc21 ZINC000008743924 342804342 /nfs/dbraw/zinc/80/43/42/342804342.db2.gz GEHQJOHVFOXESF-SNVBAGLBSA-N 0 0 212.252 2.322 50 0 BEAARN CCc1ccc(CCC(=O)N2CCOCC2)cc1 ZINC000010328314 342835435 /nfs/dbraw/zinc/83/54/35/342835435.db2.gz ODBGLXWKGRQYCH-UHFFFAOYSA-N 0 0 247.338 2.040 50 0 BEAARN CSc1nnc(-c2ccccc2)n1CCCO ZINC000010312538 342835485 /nfs/dbraw/zinc/83/54/85/342835485.db2.gz RDENAASXCWMWSD-UHFFFAOYSA-N 0 0 249.339 2.049 50 0 BEAARN Nc1cc(-c2ccc(Br)o2)no1 ZINC000011851100 342843805 /nfs/dbraw/zinc/84/38/05/342843805.db2.gz MTDQAANDQCLXHZ-UHFFFAOYSA-N 0 0 229.033 2.279 50 0 BEAARN Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000011803996 342843599 /nfs/dbraw/zinc/84/35/99/342843599.db2.gz RRXQJLGCKJJLNO-UHFFFAOYSA-N 0 0 246.289 2.393 50 0 BEAARN CC(C)CC[C@H](C)NC(=O)/C=C\c1ccnn1C ZINC000097026460 344006861 /nfs/dbraw/zinc/00/68/61/344006861.db2.gz TYYKKMKVYCUJTH-KRZKBDHCSA-N 0 0 249.358 2.374 50 0 BEAARN Cn1nc(-c2ccccc2Cl)cc1N ZINC000011851209 342843757 /nfs/dbraw/zinc/84/37/57/342843757.db2.gz ADEMSTSXGYEZNP-UHFFFAOYSA-N 0 0 207.664 2.323 50 0 BEAARN Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000011567964 342841563 /nfs/dbraw/zinc/84/15/63/342841563.db2.gz NHXZHRLMWSWDQF-UHFFFAOYSA-N 0 0 240.310 2.326 50 0 BEAARN C[C@@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000011962364 342845397 /nfs/dbraw/zinc/84/53/97/342845397.db2.gz RURDNKWWNOLVMF-LBPRGKRZSA-N 0 0 247.338 2.414 50 0 BEAARN O=c1[nH]c2cc(Cl)c(Cl)cc2nc1NO ZINC000012336649 342849338 /nfs/dbraw/zinc/84/93/38/342849338.db2.gz YFTBOLIHDHCMCG-UHFFFAOYSA-N 0 0 246.053 2.031 50 0 BEAARN NN=c1nc(-c2ccc(Cl)cc2)cc[nH]1 ZINC000012394968 342851112 /nfs/dbraw/zinc/85/11/12/342851112.db2.gz XYFQIBCQEKZHNQ-UHFFFAOYSA-N 0 0 220.663 2.083 50 0 BEAARN CC(C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000013011241 342863135 /nfs/dbraw/zinc/86/31/35/342863135.db2.gz ZAWIORCDIZQMDB-LLVKDONJSA-N 0 0 240.372 2.123 50 0 BEAARN Cc1scc(C(=O)NC[C@@H]2CCCO2)c1C ZINC000013331165 342865668 /nfs/dbraw/zinc/86/56/68/342865668.db2.gz XITBJDWPQCGCQE-JTQLQIEISA-N 0 0 239.340 2.274 50 0 BEAARN CSc1ccc2cc(C=O)c(=O)[nH]c2c1 ZINC000013495522 342867223 /nfs/dbraw/zinc/86/72/23/342867223.db2.gz WHTPQVGRZBWWFK-UHFFFAOYSA-N 0 0 219.265 2.063 50 0 BEAARN COC(=O)c1oc(Cn2nc(C)cc2C)cc1C ZINC000074284940 398305755 /nfs/dbraw/zinc/30/57/55/398305755.db2.gz JSQSKDPVPDORAS-UHFFFAOYSA-N 0 0 248.282 2.236 50 0 BEAARN CC(C)CCn1c2ccccc2[nH]c1=O ZINC000013638409 342869253 /nfs/dbraw/zinc/86/92/53/342869253.db2.gz ALKJFGJPEBAMNI-UHFFFAOYSA-N 0 0 204.273 2.376 50 0 BEAARN O=C(c1n[nH]c2ccccc21)N1CCCCC1 ZINC000013685130 342870335 /nfs/dbraw/zinc/87/03/35/342870335.db2.gz LCBZQLZZYJXLQP-UHFFFAOYSA-N 0 0 229.283 2.189 50 0 BEAARN Cc1ccc(N[C@H]2C[C@H](C)NC(=S)N2)cc1 ZINC000013686462 342870492 /nfs/dbraw/zinc/87/04/92/342870492.db2.gz DTYOZCJJILFVHX-GXSJLCMTSA-N 0 0 235.356 2.401 50 0 BEAARN Cn1cccc1C(=O)NCCc1cccc(F)c1 ZINC000032745063 342872456 /nfs/dbraw/zinc/87/24/56/342872456.db2.gz OJVYSYXKOLALJE-UHFFFAOYSA-N 0 0 246.285 2.137 50 0 BEAARN Nc1ncc(Br)cc1C(F)(F)F ZINC000014007788 342875627 /nfs/dbraw/zinc/87/56/27/342875627.db2.gz QUYZBNHTYCLZLW-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN O=C1C=C(N2CCCCC2)C2(CCCC2)O1 ZINC000012860105 342859368 /nfs/dbraw/zinc/85/93/68/342859368.db2.gz FJCLSDOVADMOSS-UHFFFAOYSA-N 0 0 221.300 2.226 50 0 BEAARN CC(C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000094992603 398316149 /nfs/dbraw/zinc/31/61/49/398316149.db2.gz YIXSLNQMBPPRON-UHFFFAOYSA-N 0 0 231.217 2.468 50 0 BEAARN COC(=O)c1sc(C)nc1C(F)(F)F ZINC000015440518 342896254 /nfs/dbraw/zinc/89/62/54/342896254.db2.gz DPUUHXWDJXFEPT-UHFFFAOYSA-N 0 0 225.191 2.257 50 0 BEAARN CN(C)c1ccc([C@@H]2CCC[C@H]2O)cc1 ZINC000015440808 342896271 /nfs/dbraw/zinc/89/62/71/342896271.db2.gz QRLCUDVDCWDQLF-QWHCGFSZSA-N 0 0 205.301 2.381 50 0 BEAARN Cn1cc2ccc(Br)cc2n1 ZINC000015444593 342896500 /nfs/dbraw/zinc/89/65/00/342896500.db2.gz BVYFYDANLZQCPV-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Nc1ccc([C@@H](O)c2cccs2)cc1 ZINC000015635408 342899079 /nfs/dbraw/zinc/89/90/79/342899079.db2.gz XXLWYSCBAVIWMJ-LLVKDONJSA-N 0 0 205.282 2.412 50 0 BEAARN CC1(C)C[C@@H](NC(=O)c2ccncc2)C(C)(C)O1 ZINC000097046821 344008264 /nfs/dbraw/zinc/00/82/64/344008264.db2.gz KHKKWQOFTZWGBE-LLVKDONJSA-N 0 0 248.326 2.158 50 0 BEAARN Cc1cc(CN2CCC(c3cn[nH]c3)CC2)no1 ZINC000097202741 398319600 /nfs/dbraw/zinc/31/96/00/398319600.db2.gz JUQILYJEEYWVDQ-UHFFFAOYSA-N 0 0 246.314 2.086 50 0 BEAARN COC(C)(C)C(=O)Nc1ccc(O)c(Cl)c1 ZINC000096004001 398312390 /nfs/dbraw/zinc/31/23/90/398312390.db2.gz XPOVHAJXXJSXSG-UHFFFAOYSA-N 0 0 243.690 2.409 50 0 BEAARN Cc1ccc(C(=O)N2CCO[C@H](C)C2)c(C)c1 ZINC000032865151 342886669 /nfs/dbraw/zinc/88/66/69/342886669.db2.gz WWCGAYDRLCTDNR-GFCCVEGCSA-N 0 0 233.311 2.164 50 0 BEAARN CC(C)(C)OC(=O)Nc1ncccc1O ZINC000014806847 342887829 /nfs/dbraw/zinc/88/78/29/342887829.db2.gz BPSPUTQMBTUUTL-UHFFFAOYSA-N 0 0 210.233 2.134 50 0 BEAARN COC(=O)c1cnc2[nH]ccc2c1Cl ZINC000014807417 342887960 /nfs/dbraw/zinc/88/79/60/342887960.db2.gz VMEYNNIKJFNFDS-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN Cn1ccc(NC(=O)CCCc2cccs2)n1 ZINC000014899532 342889021 /nfs/dbraw/zinc/88/90/21/342889021.db2.gz MCIGBCORVZNXBO-UHFFFAOYSA-N 0 0 249.339 2.443 50 0 BEAARN O=c1[nH]c2ccc(Br)cc2s1 ZINC000014984957 342890140 /nfs/dbraw/zinc/89/01/40/342890140.db2.gz HECJMTPEVWQFCY-UHFFFAOYSA-N 0 0 230.086 2.352 50 0 BEAARN CCOc1cccnc1Br ZINC000014982247 342890174 /nfs/dbraw/zinc/89/01/74/342890174.db2.gz REVXDUVZKACDQT-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN Cc1cnc([C@H](C)NC(=O)OC(C)(C)C)n1C ZINC000015020953 342890597 /nfs/dbraw/zinc/89/05/97/342890597.db2.gz KYFYBQGIYQMLJJ-VIFPVBQESA-N 0 0 239.319 2.314 50 0 BEAARN Cc1cn(C)c([C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000015020947 342890682 /nfs/dbraw/zinc/89/06/82/342890682.db2.gz OOFMNVSHHSUBLC-SECBINFHSA-N 0 0 239.319 2.314 50 0 BEAARN CCCc1ncncc1Br ZINC000015021307 342890879 /nfs/dbraw/zinc/89/08/79/342890879.db2.gz CTQOACFKRRAZGP-UHFFFAOYSA-N 0 0 201.067 2.192 50 0 BEAARN O=C(Oc1ccc(Cl)cc1)c1ccc(=O)[nH]c1 ZINC000016046449 342904921 /nfs/dbraw/zinc/90/49/21/342904921.db2.gz BHSUKLGRRIYXQD-UHFFFAOYSA-N 0 0 249.653 2.248 50 0 BEAARN CC[C@@H](C)NC(=O)CSc1ccccn1 ZINC000032910050 342905095 /nfs/dbraw/zinc/90/50/95/342905095.db2.gz ZRIFGOAUBNLCOT-SECBINFHSA-N 0 0 224.329 2.088 50 0 BEAARN CCOc1ncccc1NC(=O)NCC1CC1 ZINC000048207665 342906064 /nfs/dbraw/zinc/90/60/64/342906064.db2.gz XZYXMPSXPYOFOG-UHFFFAOYSA-N 0 0 235.287 2.012 50 0 BEAARN Nc1cccc([C@@H](O)c2cccs2)c1 ZINC000016275769 342908911 /nfs/dbraw/zinc/90/89/11/342908911.db2.gz PCULMMADXLYFKA-LLVKDONJSA-N 0 0 205.282 2.412 50 0 BEAARN CCCn1c2ccccc2nc1NCCCO ZINC000016319922 342909459 /nfs/dbraw/zinc/90/94/59/342909459.db2.gz LYBIALTZKIQNRN-UHFFFAOYSA-N 0 0 233.315 2.241 50 0 BEAARN FC(F)C1CCN(Cc2ccon2)CC1 ZINC000336597050 398323019 /nfs/dbraw/zinc/32/30/19/398323019.db2.gz KYEIFIVDAPZTMU-UHFFFAOYSA-N 0 0 216.231 2.152 50 0 BEAARN COc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000032906057 342901298 /nfs/dbraw/zinc/90/12/98/342901298.db2.gz GHMBBUYGZCCLSE-UHFFFAOYSA-N 0 0 239.702 2.488 50 0 BEAARN O=c1[nH]c(-c2ccco2)nc2ccccc21 ZINC000017042772 342919737 /nfs/dbraw/zinc/91/97/37/342919737.db2.gz CHGWPLSMDGRLPO-UHFFFAOYSA-N 0 0 212.208 2.183 50 0 biogenic BEAARN CCc1c(C)nc2[nH]c3ccccc3n2c1=O ZINC000018087686 342931385 /nfs/dbraw/zinc/93/13/85/342931385.db2.gz IWXCZFGHPPCWGR-UHFFFAOYSA-N 0 0 227.267 2.047 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)Nc1nncs1 ZINC000043130604 342931882 /nfs/dbraw/zinc/93/18/82/342931882.db2.gz SGZWMNPWFYAFAH-MRVPVSSYSA-N 0 0 240.332 2.335 50 0 BEAARN CC(=O)Nc1ccc(C(=O)c2ccncc2)cc1 ZINC000037356883 342929572 /nfs/dbraw/zinc/92/95/72/342929572.db2.gz XSYXTYUHLPVHEO-UHFFFAOYSA-N 0 0 240.262 2.271 50 0 BEAARN CC(=O)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000019016583 342940996 /nfs/dbraw/zinc/94/09/96/342940996.db2.gz TXLSBSINTPDWGT-LLVKDONJSA-N 0 0 249.314 2.063 50 0 BEAARN COC(=O)COc1cc(Cl)ccc1C(C)=O ZINC000000498565 346887804 /nfs/dbraw/zinc/88/78/04/346887804.db2.gz RGALPZNIXYCVHP-UHFFFAOYSA-N 0 0 242.658 2.094 50 0 BEAARN Nc1ccccc1C(=O)n1cnc2ccccc21 ZINC000019093828 342941765 /nfs/dbraw/zinc/94/17/65/342941765.db2.gz BPVGCUBQNYLDNA-UHFFFAOYSA-N 0 0 237.262 2.307 50 0 BEAARN CC1(C)O[C@@H]2Cc3ccccc3C[C@@H]2O1 ZINC000012341506 346893324 /nfs/dbraw/zinc/89/33/24/346893324.db2.gz BVOIEXZNCZPVRO-TXEJJXNPSA-N 0 0 204.269 2.305 50 0 BEAARN CC(C)Cc1ccc([C@@](C)([NH3+])C(=O)[O-])cc1 ZINC000019485862 342949752 /nfs/dbraw/zinc/94/97/52/342949752.db2.gz NNPRIWDPKFSCHG-CYBMUJFWSA-N 0 0 221.300 2.144 50 0 BEAARN Cc1c(C(=O)N[C@@H](C)c2cccs2)cnn1C ZINC000019553407 342951318 /nfs/dbraw/zinc/95/13/18/342951318.db2.gz VXUDKAFKYOVXHZ-QMMMGPOBSA-N 0 0 249.339 2.281 50 0 BEAARN CCCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019773017 342957007 /nfs/dbraw/zinc/95/70/07/342957007.db2.gz DIDAPUTUUYJADA-QMMMGPOBSA-N 0 0 233.267 2.389 50 0 BEAARN CCc1nnc(SCC(=O)c2ccccc2)[nH]1 ZINC000005686695 346903420 /nfs/dbraw/zinc/90/34/20/346903420.db2.gz WIMGAAHRMDTDAE-UHFFFAOYSA-N 0 0 247.323 2.342 50 0 BEAARN CC(=O)CC(=O)Nc1cccc2cccnc21 ZINC000019412573 187205906 /nfs/dbraw/zinc/20/59/06/187205906.db2.gz WGIAGBKZTZFFDS-UHFFFAOYSA-N 0 0 228.251 2.152 50 0 BEAARN N[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000019841790 342959569 /nfs/dbraw/zinc/95/95/69/342959569.db2.gz NUQMLXJXZQWPFY-SECBINFHSA-N 0 0 233.189 2.020 50 0 BEAARN CN(c1ccc(N)nc1)C1CCCCC1 ZINC000019868305 342960479 /nfs/dbraw/zinc/96/04/79/342960479.db2.gz HTIGUWMNHKPADJ-UHFFFAOYSA-N 0 0 205.305 2.433 50 0 BEAARN Nc1nc2ccc(N3CCCC3)cc2s1 ZINC000020133696 342970987 /nfs/dbraw/zinc/97/09/87/342970987.db2.gz XKVDYAMUOBYLGL-UHFFFAOYSA-N 0 0 219.313 2.479 50 0 BEAARN Cc1cccc(C(=O)Nc2cccc(O)c2)n1 ZINC000020212198 342977534 /nfs/dbraw/zinc/97/75/34/342977534.db2.gz GDMBRLBMHYTJLD-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN Nc1ccc(NC(=O)[C@@H]2CCCO2)c(Cl)c1 ZINC000020157142 342972972 /nfs/dbraw/zinc/97/29/72/342972972.db2.gz QYJNPCULYBHFIU-JTQLQIEISA-N 0 0 240.690 2.040 50 0 BEAARN COC(=O)[C@@H](N)c1cccc2ccccc21 ZINC000020157509 342973149 /nfs/dbraw/zinc/97/31/49/342973149.db2.gz LTASPYVMQCESLM-LBPRGKRZSA-N 0 0 215.252 2.013 50 0 BEAARN COC(=O)[C@@H](N)c1ccc2ccccc2c1 ZINC000020169373 342973932 /nfs/dbraw/zinc/97/39/32/342973932.db2.gz OWSZMZAENZHDLB-LBPRGKRZSA-N 0 0 215.252 2.013 50 0 biogenic BEAARN Nc1ccc2c(c1)NC(=O)[C@H](c1ccccc1)O2 ZINC000019951699 342964306 /nfs/dbraw/zinc/96/43/06/342964306.db2.gz HJPDVYPUQVMOGQ-ZDUSSCGKSA-N 0 0 240.262 2.341 50 0 BEAARN CCOc1ccc(N[C@H]2CCCCNC2=O)cc1 ZINC000020040344 342967074 /nfs/dbraw/zinc/96/70/74/342967074.db2.gz FIDRKMVDSREOHE-ZDUSSCGKSA-N 0 0 248.326 2.166 50 0 BEAARN O=S(=O)(c1ccccc1F)C(F)(F)F ZINC000020282560 342980233 /nfs/dbraw/zinc/98/02/33/342980233.db2.gz NXZFXDLCZKKNCX-UHFFFAOYSA-N 0 0 228.166 2.119 50 0 in-vitro BEAARN Nc1ncc(Cc2ccc3c(c2)OCCO3)s1 ZINC000020284171 342980272 /nfs/dbraw/zinc/98/02/72/342980272.db2.gz FAYZOMGHGABAIS-UHFFFAOYSA-N 0 0 248.307 2.087 50 0 BEAARN Cc1ccc(N2CCNC2=O)cc1Cl ZINC000020357525 342983202 /nfs/dbraw/zinc/98/32/02/342983202.db2.gz DKSGHEFILYXKBC-UHFFFAOYSA-N 0 0 210.664 2.178 50 0 BEAARN Clc1ncnc2cc3c(cc12)OCO3 ZINC000021300073 343009236 /nfs/dbraw/zinc/00/92/36/343009236.db2.gz RZCJSVRGPHXBSM-UHFFFAOYSA-N 0 0 208.604 2.012 50 0 BEAARN Cc1cc(C(=O)N(C)C)c2ccccc2n1 ZINC000021768522 343020594 /nfs/dbraw/zinc/02/05/94/343020594.db2.gz IWHUVAGUVQXTKJ-UHFFFAOYSA-N 0 0 214.268 2.245 50 0 BEAARN Cc1cnc(C(=O)N[C@H](C)c2cccs2)cn1 ZINC000021359013 343011382 /nfs/dbraw/zinc/01/13/82/343011382.db2.gz MPYYMUHXZXBKBC-SECBINFHSA-N 0 0 247.323 2.338 50 0 BEAARN O=C(CO)Nc1ccc(Oc2ccccc2)cc1 ZINC000021951695 343029259 /nfs/dbraw/zinc/02/92/59/343029259.db2.gz ZATKSUUOVIAFPA-UHFFFAOYSA-N 0 0 243.262 2.410 50 0 BEAARN CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000120664916 187221887 /nfs/dbraw/zinc/22/18/87/187221887.db2.gz CFLVFOOTGYZPAN-GMSGAONNSA-N 0 0 227.666 2.471 50 0 BEAARN C[C@H](CO)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000022061424 343037973 /nfs/dbraw/zinc/03/79/73/343037973.db2.gz FUBPRYXDIHQLGH-NAWOPXAZSA-N 0 0 212.333 2.192 50 0 in-vitro BEAARN Cc1ccc(C)c(OCC(=O)N2CCCC2)c1 ZINC000000070632 178487298 /nfs/dbraw/zinc/48/72/98/178487298.db2.gz ITRSVSRDFLFYTN-UHFFFAOYSA-N 0 0 233.311 2.305 50 0 BEAARN Cc1cccc(C(=O)O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000005981579 343063969 /nfs/dbraw/zinc/06/39/69/343063969.db2.gz MSXTUZVYQPGHMP-CQSZACIVSA-N 0 0 245.322 2.246 50 0 BEAARN Cc1ccc(CNC(=O)c2ccccc2F)n1C ZINC000023574485 343066078 /nfs/dbraw/zinc/06/60/78/343066078.db2.gz LMGQZHSNODVLPH-UHFFFAOYSA-N 0 0 246.285 2.403 50 0 BEAARN C[C@@]1(Nc2ccc(Cl)cc2)NC(=O)CS1 ZINC000006183908 343067933 /nfs/dbraw/zinc/06/79/33/343067933.db2.gz HWPGGEZVGJMMLY-SNVBAGLBSA-N 0 0 242.731 2.289 50 0 BEAARN Nc1nc(Cl)cc(NC2CCCC2)n1 ZINC000024056257 343069213 /nfs/dbraw/zinc/06/92/13/343069213.db2.gz NSMGKMXRXZAMDS-UHFFFAOYSA-N 0 0 212.684 2.067 50 0 BEAARN Cc1c([C@@H](C)NC(=O)c2cccs2)cnn1C ZINC000025006289 343083187 /nfs/dbraw/zinc/08/31/87/343083187.db2.gz VFKLLVLTXFNFLC-MRVPVSSYSA-N 0 0 249.339 2.281 50 0 BEAARN CC(C)=CC(=O)O[C@@H]1CCC[C@H]1n1cccn1 ZINC000071803837 362031146 /nfs/dbraw/zinc/03/11/46/362031146.db2.gz DAMDPTNXGKZIND-VXGBXAGGSA-N 0 0 234.299 2.486 50 0 BEAARN CC(=O)Nc1sccc1Br ZINC000026423817 343104766 /nfs/dbraw/zinc/10/47/66/343104766.db2.gz MFHOMDDCHOGWHD-UHFFFAOYSA-N 0 0 220.091 2.469 50 0 BEAARN COC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000013328829 362102395 /nfs/dbraw/zinc/10/23/95/362102395.db2.gz UKVNCGPIGZWDEP-QMMMGPOBSA-N 0 0 239.271 2.121 50 0 BEAARN Cc1ccc(NC(=O)NC2CC2)cc1F ZINC000013320157 362093439 /nfs/dbraw/zinc/09/34/39/362093439.db2.gz RZPFFMAWWDAYSB-UHFFFAOYSA-N 0 0 208.236 2.418 50 0 BEAARN CCc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)o1 ZINC000027906269 343125709 /nfs/dbraw/zinc/12/57/09/343125709.db2.gz HOXUNYYAZVMYEY-MWLCHTKSSA-N 0 0 237.299 2.139 50 0 BEAARN CCCC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000028093170 343127294 /nfs/dbraw/zinc/12/72/94/343127294.db2.gz LSTIZRGVNKZERG-UHFFFAOYSA-N 0 0 230.271 2.006 50 0 BEAARN CCc1nc(SCc2c(C)noc2C)n[nH]1 ZINC000028473488 343129605 /nfs/dbraw/zinc/12/96/05/343129605.db2.gz KEYGVTZCMKITIZ-UHFFFAOYSA-N 0 0 238.316 2.264 50 0 BEAARN COC(=O)[C@@H](C)NCC[C@@H](C)c1ccccc1 ZINC000043534389 343131621 /nfs/dbraw/zinc/13/16/21/343131621.db2.gz QBKJMUSSIKUHBP-VXGBXAGGSA-N 0 0 235.327 2.331 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000029402411 343139375 /nfs/dbraw/zinc/13/93/75/343139375.db2.gz PWMHCCVSNRLGBC-LLVKDONJSA-N 0 0 243.310 2.401 50 0 BEAARN CCCc1cc(C(=O)N2CCCCCC2)[nH]n1 ZINC000029462464 343140899 /nfs/dbraw/zinc/14/08/99/343140899.db2.gz UEHFOUYHKAPCPH-UHFFFAOYSA-N 0 0 235.331 2.378 50 0 BEAARN COc1ccc(CC(=O)N2CCC(C)CC2)cc1 ZINC000000029161 187244076 /nfs/dbraw/zinc/24/40/76/187244076.db2.gz UMALHRVAPJKLNS-UHFFFAOYSA-N 0 0 247.338 2.496 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000000075769 187244105 /nfs/dbraw/zinc/24/41/05/187244105.db2.gz ZMMAVVGZVPYQOX-NSHDSACASA-N 0 0 239.702 2.249 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)C2CCC2)c1 ZINC000003549476 187245992 /nfs/dbraw/zinc/24/59/92/187245992.db2.gz DYIVFCKECVHUGS-UHFFFAOYSA-N 0 0 232.283 2.384 50 0 BEAARN CC(=O)[C@H](C)Oc1ccc(F)cc1F ZINC000003134339 187246199 /nfs/dbraw/zinc/24/61/99/187246199.db2.gz LOHKSVQHSBBNBH-ZETCQYMHSA-N 0 0 200.184 2.321 50 0 BEAARN CC(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000003504279 187246259 /nfs/dbraw/zinc/24/62/59/187246259.db2.gz ZDFSHYKCCISRDQ-UHFFFAOYSA-N 0 0 249.310 2.183 50 0 BEAARN COc1ccc([C@H](C)n2nccc2N)cc1 ZINC000004575252 187246690 /nfs/dbraw/zinc/24/66/90/187246690.db2.gz PVDNFFDOIHTQQB-VIFPVBQESA-N 0 0 217.272 2.083 50 0 BEAARN FC(F)(F)c1nc2n[nH]cc2c(Cl)n1 ZINC000004714970 187247186 /nfs/dbraw/zinc/24/71/86/187247186.db2.gz SNIVBXKAXKSWQE-UHFFFAOYSA-N 0 0 222.557 2.025 50 0 BEAARN Nc1cccc2[nH]c(C(F)(F)F)nc21 ZINC000004343165 187247250 /nfs/dbraw/zinc/24/72/50/187247250.db2.gz YNDFTOVUTRBOPA-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 BEAARN FC(F)(F)c1nc2[nH]cnc2c(Cl)n1 ZINC000006345542 187248573 /nfs/dbraw/zinc/24/85/73/187248573.db2.gz GRFXWPMEDWAEMH-UHFFFAOYSA-N 0 0 222.557 2.025 50 0 BEAARN CC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 ZINC000006653508 187248735 /nfs/dbraw/zinc/24/87/35/187248735.db2.gz XYJYRBGLLJAXNU-UHFFFAOYSA-N 0 0 244.298 2.053 50 0 BEAARN Nc1cccc2c1cnn2[C@@H]1CCCCO1 ZINC000030677786 343193434 /nfs/dbraw/zinc/19/34/34/343193434.db2.gz VXUKYBXQNXUXQM-LBPRGKRZSA-N 0 0 217.272 2.318 50 0 BEAARN Nc1ccc(-c2nc(-c3ccco3)n[nH]2)cc1 ZINC000031772076 343224298 /nfs/dbraw/zinc/22/42/98/343224298.db2.gz LTHPIFUITZWNGM-UHFFFAOYSA-N 0 0 226.239 2.314 50 0 BEAARN CCCCN(C)C(=O)Nc1cccnc1OC ZINC000048286165 343225806 /nfs/dbraw/zinc/22/58/06/343225806.db2.gz WOOADOCSXIWYGC-UHFFFAOYSA-N 0 0 237.303 2.354 50 0 BEAARN Cc1ccc(NC(=O)NCC2(C)COC2)cc1 ZINC000013331726 187250713 /nfs/dbraw/zinc/25/07/13/187250713.db2.gz JNMMXJWZVYMBGM-UHFFFAOYSA-N 0 0 234.299 2.153 50 0 BEAARN CC(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000013777705 187251150 /nfs/dbraw/zinc/25/11/50/187251150.db2.gz DNJBLXBGYRYOBT-JTQLQIEISA-N 0 0 228.295 2.161 50 0 in-vivo BEAARN CC[C@@H](C)C(=O)NCCc1cccc(OC)c1 ZINC000048300501 343235982 /nfs/dbraw/zinc/23/59/82/343235982.db2.gz KWZDHDMWJKZDAC-LLVKDONJSA-N 0 0 235.327 2.400 50 0 BEAARN COc1cc(-c2cccc(NC(C)=O)c2)ncn1 ZINC000032529785 343237097 /nfs/dbraw/zinc/23/70/97/343237097.db2.gz UGKJYPSYRGVLPG-UHFFFAOYSA-N 0 0 243.266 2.111 50 0 BEAARN Cc1cccc(-c2nc(C)ccc2C(N)=O)c1 ZINC000032534907 343237448 /nfs/dbraw/zinc/23/74/48/343237448.db2.gz QAOSANXLBGQXNP-UHFFFAOYSA-N 0 0 226.279 2.464 50 0 BEAARN Cc1nc(Cn2c(=O)oc3ccccc32)cs1 ZINC000032667882 343239894 /nfs/dbraw/zinc/23/98/94/343239894.db2.gz FFXXZTMGVLRSGB-UHFFFAOYSA-N 0 0 246.291 2.408 50 0 BEAARN CCN(C(=O)c1ccc(C)cc1O)C1CC1 ZINC000032760926 343242265 /nfs/dbraw/zinc/24/22/65/343242265.db2.gz FGPSTLYYSXOTAE-UHFFFAOYSA-N 0 0 219.284 2.325 50 0 BEAARN O=C(CCc1nc2ccccc2[nH]1)N1CCCC1 ZINC000032814921 343242849 /nfs/dbraw/zinc/24/28/49/343242849.db2.gz PVYHAAPORJFKHK-UHFFFAOYSA-N 0 0 243.310 2.118 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000032907082 343243519 /nfs/dbraw/zinc/24/35/19/343243519.db2.gz CNPUNKIUFHUBDA-YGRLFVJLSA-N 0 0 245.322 2.247 50 0 BEAARN CC(=O)Nc1ccc2c(c1)nc1n2CCSC1 ZINC000013135654 187250291 /nfs/dbraw/zinc/25/02/91/187250291.db2.gz XRXYUWYHFGXLEE-UHFFFAOYSA-N 0 0 247.323 2.242 50 0 BEAARN CCn1ncc(C(=O)N2CCCCCC2)c1C ZINC000016971821 187252266 /nfs/dbraw/zinc/25/22/66/187252266.db2.gz QUVFYFLWRDBPCZ-UHFFFAOYSA-N 0 0 235.331 2.228 50 0 BEAARN CN1C(=O)c2ccccc2N[C@H]1c1ccco1 ZINC000048376001 343255870 /nfs/dbraw/zinc/25/58/70/343255870.db2.gz WDJWOZQKYFGJGA-GFCCVEGCSA-N 0 0 228.251 2.476 50 0 BEAARN Cc1c(F)cccc1NC(=O)C1(C)COC1 ZINC000272902651 187337121 /nfs/dbraw/zinc/33/71/21/187337121.db2.gz MGRWUNKVWJYYLC-UHFFFAOYSA-N 0 0 223.247 2.109 50 0 BEAARN COC(=O)c1nc(-c2ccccc2)oc1OC ZINC000033834619 343262153 /nfs/dbraw/zinc/26/21/53/343262153.db2.gz KEINDUWFIWFMLM-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 BEAARN O=C(c1ccc(Cl)cc1)c1cncnc1 ZINC000034112727 343264732 /nfs/dbraw/zinc/26/47/32/343264732.db2.gz ZDWRULLIEOEBRC-UHFFFAOYSA-N 0 0 218.643 2.361 50 0 BEAARN CC(C)[C@H]1C[C@](C)(c2csc(N)n2)OC1=O ZINC000000181072 343268908 /nfs/dbraw/zinc/26/89/08/343268908.db2.gz HKFLYRJFMVGMAU-RDDDGLTNSA-N 0 0 240.328 2.160 50 0 biogenic BEAARN CC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000000242990 343269321 /nfs/dbraw/zinc/26/93/21/343269321.db2.gz HABUOKHHUUMQPB-AWEZNQCLSA-N 0 0 226.279 2.307 50 0 BEAARN Cc1cccc(C(=O)Nc2ccccn2)n1 ZINC000034408987 343270288 /nfs/dbraw/zinc/27/02/88/343270288.db2.gz UUYBLNWVKXRGHB-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1c(I)cccc1CO ZINC000034439662 343271089 /nfs/dbraw/zinc/27/10/89/343271089.db2.gz WVKFJUYXMBJNKD-UHFFFAOYSA-N 0 0 248.063 2.092 50 0 BEAARN O=C1CCC(=O)N1CCC1=CCCCC1 ZINC000002895394 343272504 /nfs/dbraw/zinc/27/25/04/343272504.db2.gz VLLXJEYVYCSHTG-UHFFFAOYSA-N 0 0 207.273 2.026 50 0 BEAARN Nc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000034976189 343282457 /nfs/dbraw/zinc/28/24/57/343282457.db2.gz ATZQHBMKRKOPKS-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN O=C(c1cc(C2CC2)n[nH]1)N1CCCCCC1 ZINC000036394805 343317976 /nfs/dbraw/zinc/31/79/76/343317976.db2.gz YITIOPWWVGDYHN-UHFFFAOYSA-N 0 0 233.315 2.303 50 0 BEAARN CC(C)(c1nnc(N)s1)c1ccccc1 ZINC000036870628 343325439 /nfs/dbraw/zinc/32/54/39/343325439.db2.gz PALMDNYJOLXCLN-UHFFFAOYSA-N 0 0 219.313 2.446 50 0 BEAARN Fc1ccc(NCc2csnn2)cc1F ZINC000036901916 343327000 /nfs/dbraw/zinc/32/70/00/343327000.db2.gz RNIYJLKWATYGIV-UHFFFAOYSA-N 0 0 227.239 2.428 50 0 BEAARN CC(C)c1ccc([C@@]2(C)CC(=O)NC2=O)cc1 ZINC000036929050 343328013 /nfs/dbraw/zinc/32/80/13/343328013.db2.gz QYDFHSLIPPLNND-CQSZACIVSA-N 0 0 231.295 2.114 50 0 BEAARN Cc1cc(Cl)ccc1NC(=O)CN(C)C ZINC000023382005 187254554 /nfs/dbraw/zinc/25/45/54/187254554.db2.gz FWNMVEDYSIDTLT-UHFFFAOYSA-N 0 0 226.707 2.149 50 0 BEAARN O=C(c1cccnc1)c1ccc2c(c1)CCO2 ZINC000036942104 343328438 /nfs/dbraw/zinc/32/84/38/343328438.db2.gz ZKHKCIKILLGZRU-UHFFFAOYSA-N 0 0 225.247 2.248 50 0 BEAARN CC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000023693205 187254787 /nfs/dbraw/zinc/25/47/87/187254787.db2.gz TZXKZXHBLHWCAL-UHFFFAOYSA-N 0 0 239.344 2.087 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc(CO)nc1Cl ZINC000035270476 343291247 /nfs/dbraw/zinc/29/12/47/343291247.db2.gz SEZSYNGFTGQBEV-UHFFFAOYSA-N 0 0 242.706 2.212 50 0 BEAARN CC(C)(C)C(=O)Nc1ccnc2cc(CO)oc21 ZINC000035270598 343291422 /nfs/dbraw/zinc/29/14/22/343291422.db2.gz UYVCCXURFQYPHK-UHFFFAOYSA-N 0 0 248.282 2.305 50 0 BEAARN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C=O ZINC000025625506 187254914 /nfs/dbraw/zinc/25/49/14/187254914.db2.gz YNUVAJRGRQBLLB-AXFHLTTASA-N 0 0 212.289 2.189 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000035323010 343294093 /nfs/dbraw/zinc/29/40/93/343294093.db2.gz ROUONLKDWVQKNB-VXGBXAGGSA-N 0 0 249.310 2.169 50 0 BEAARN Nc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 ZINC000035697275 343302401 /nfs/dbraw/zinc/30/24/01/343302401.db2.gz ZTEWIHXFQMCXSD-JTQLQIEISA-N 0 0 231.255 2.170 50 0 BEAARN CC(C)CNC(=O)[C@H](C)Nc1ccc(F)cc1 ZINC000020312861 187253795 /nfs/dbraw/zinc/25/37/95/187253795.db2.gz ZYWAEVFTLQMIAG-JTQLQIEISA-N 0 0 238.306 2.398 50 0 BEAARN Clc1ncnc2ncc(Br)cc12 ZINC000036243903 343313122 /nfs/dbraw/zinc/31/31/22/343313122.db2.gz RXOCJQZPMNEQJD-UHFFFAOYSA-N 0 0 244.479 2.441 50 0 BEAARN CN(C)c1cc(Br)ccc1CO ZINC000036379872 343317600 /nfs/dbraw/zinc/31/76/00/343317600.db2.gz WAPHXKHAIVOZND-UHFFFAOYSA-N 0 0 230.105 2.007 50 0 BEAARN Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000038069359 343368411 /nfs/dbraw/zinc/36/84/11/343368411.db2.gz MKFSVXHOIRWNFF-UHFFFAOYSA-N 0 0 212.252 2.266 50 0 BEAARN CC(=O)SCC1(NC(=O)OC(C)(C)C)CC1 ZINC000038313817 343373822 /nfs/dbraw/zinc/37/38/22/343373822.db2.gz AKQNKRGVLPPKBQ-UHFFFAOYSA-N 0 0 245.344 2.323 50 0 BEAARN CC1(c2cccc(Br)n2)OCCO1 ZINC000038339251 343374357 /nfs/dbraw/zinc/37/43/57/343374357.db2.gz ZRXWMMNBTGBCIL-UHFFFAOYSA-N 0 0 244.088 2.064 50 0 BEAARN O=C1CCCc2nc(Br)sc21 ZINC000038534534 343376623 /nfs/dbraw/zinc/37/66/23/343376623.db2.gz AINBODIOGRXMKN-UHFFFAOYSA-N 0 0 232.102 2.425 50 0 BEAARN COC[C@@H](C)NC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000071798662 343377156 /nfs/dbraw/zinc/37/71/56/343377156.db2.gz VFIYYQPQQUKAOY-ZJUUUORDSA-N 0 0 230.352 2.097 50 0 BEAARN CCOC(=O)/C=C/c1ccc(OC)c(F)c1 ZINC000039207970 187255527 /nfs/dbraw/zinc/25/55/27/187255527.db2.gz BWWRXUXZXLJKRC-FNORWQNLSA-N 0 0 224.231 2.411 50 0 BEAARN C[NH+](C)[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000037357864 343343921 /nfs/dbraw/zinc/34/39/21/343343921.db2.gz CYKHMICFOPJKFO-NSHDSACASA-N 0 0 227.691 2.201 50 0 BEAARN COc1ncccc1C(=O)N(C)c1ccccc1 ZINC000032755126 187256738 /nfs/dbraw/zinc/25/67/38/187256738.db2.gz VHQKAHPZBUUYFJ-UHFFFAOYSA-N 0 0 242.278 2.367 50 0 BEAARN Brc1nncc2ccccc21 ZINC000035663623 187258245 /nfs/dbraw/zinc/25/82/45/187258245.db2.gz OGSHJLOGCXPYPZ-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN CCCc1cc(C(=O)N2CCOCC2)cs1 ZINC000013329640 346935392 /nfs/dbraw/zinc/93/53/92/346935392.db2.gz KKPTZGCHGGYNRX-UHFFFAOYSA-N 0 0 239.340 2.173 50 0 BEAARN CC(C)CC1N=NC(=S)N1Cc1ccco1 ZINC000016972093 343390438 /nfs/dbraw/zinc/39/04/38/343390438.db2.gz UNMKDXKDTBWSBS-UHFFFAOYSA-N 0 0 237.328 2.407 50 0 BEAARN Nc1ccccc1-c1nnc(-c2ccncc2)[nH]1 ZINC000040175753 343398035 /nfs/dbraw/zinc/39/80/35/343398035.db2.gz JGODTGGRKRVWEI-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN CC(=O)c1nc2ccc(Cl)cc2n1C ZINC000040834084 343410122 /nfs/dbraw/zinc/41/01/22/343410122.db2.gz AHWIFAIMYTZUCC-UHFFFAOYSA-N 0 0 208.648 2.429 50 0 BEAARN Cc1ccc(CCC(=O)N2CCOC[C@H]2C)cc1 ZINC000040669205 178525295 /nfs/dbraw/zinc/52/52/95/178525295.db2.gz REOXEUCAPWWUAB-CYBMUJFWSA-N 0 0 247.338 2.175 50 0 BEAARN CC[C@@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000335732366 136349481 /nfs/dbraw/zinc/34/94/81/136349481.db2.gz VJHIPGSULFSAGI-JGVFFNPUSA-N 0 0 223.238 2.443 50 0 BEAARN O=c1ccnc2cc(Cl)[nH]c(Cl)c1-2 ZINC000044138305 343493191 /nfs/dbraw/zinc/49/31/91/343493191.db2.gz KFJIDHGCUDTBGV-UHFFFAOYSA-N 0 0 215.039 2.230 50 0 BEAARN COC(=O)c1ccccc1Oc1ncccn1 ZINC000044137207 343493200 /nfs/dbraw/zinc/49/32/00/343493200.db2.gz PVUQLZPNNLNFDY-UHFFFAOYSA-N 0 0 230.223 2.056 50 0 BEAARN CC(C)(C)OC(=O)n1nc(N)c2ccccc21 ZINC000044831998 343516459 /nfs/dbraw/zinc/51/64/59/343516459.db2.gz LCGKIFRHQLVSLD-UHFFFAOYSA-N 0 0 233.271 2.402 50 0 BEAARN CC1(C)Cc2oc3c(nc[nH]c3=S)c2CO1 ZINC000039321609 187263279 /nfs/dbraw/zinc/26/32/79/187263279.db2.gz RWEAPDHBPXHDQD-UHFFFAOYSA-N 0 0 236.296 2.363 50 0 BEAARN CC(C)(CO)CCCNC(=O)c1ccccc1 ZINC000079109836 187263503 /nfs/dbraw/zinc/26/35/03/187263503.db2.gz KCXVOOXXRAHBMW-UHFFFAOYSA-N 0 0 235.327 2.215 50 0 BEAARN Nc1nccc(-c2cc3ccccc3o2)n1 ZINC000045951686 343536621 /nfs/dbraw/zinc/53/66/21/343536621.db2.gz ITLPAUBPNYYULH-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN Cc1ccc(CN(C)C(=O)NC2CC2)cc1 ZINC000026518621 178542201 /nfs/dbraw/zinc/54/22/01/178542201.db2.gz NMWSISQYJLDRIE-UHFFFAOYSA-N 0 0 218.300 2.299 50 0 BEAARN Cc1nc(CC(=O)NC2CCCCC2)cs1 ZINC000048302052 343576388 /nfs/dbraw/zinc/57/63/88/343576388.db2.gz UORRPUIBARGIFC-UHFFFAOYSA-N 0 0 238.356 2.443 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(CO)C1 ZINC000048056631 343570354 /nfs/dbraw/zinc/57/03/54/343570354.db2.gz BBMPPFABSXELKV-ZWNOBZJWSA-N 0 0 241.331 2.016 50 0 BEAARN CC[NH+]1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000048106323 343571484 /nfs/dbraw/zinc/57/14/84/343571484.db2.gz MPYNZRXSEXJNCV-UHFFFAOYSA-N 0 0 233.311 2.125 50 0 BEAARN CC(C)=CC(=O)N[C@H](C)c1ccncc1 ZINC000041296662 187265173 /nfs/dbraw/zinc/26/51/73/187265173.db2.gz HMKZGBOINIMWGW-SNVBAGLBSA-N 0 0 204.273 2.225 50 0 BEAARN Cc1cc(=O)n(-c2cc(F)cc(F)c2)[nH]1 ZINC000382677387 343592028 /nfs/dbraw/zinc/59/20/28/343592028.db2.gz YHEZOJUWURDANX-UHFFFAOYSA-N 0 0 210.183 2.077 50 0 BEAARN CCOc1cccc(CNC(=O)C(C)C)c1 ZINC000048376853 343579807 /nfs/dbraw/zinc/57/98/07/343579807.db2.gz OXSXMNLKJAXMMX-UHFFFAOYSA-N 0 0 221.300 2.358 50 0 BEAARN Cc1n[nH]c(C)c1C(=O)N1Cc2ccccc2C1 ZINC000050913621 343620391 /nfs/dbraw/zinc/62/03/91/343620391.db2.gz BYYIXGWGUCWYAP-UHFFFAOYSA-N 0 0 241.294 2.183 50 0 BEAARN CCC(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000046678918 187269106 /nfs/dbraw/zinc/26/91/06/187269106.db2.gz IXMDHNAWNACIAN-UHFFFAOYSA-N 0 0 248.204 2.371 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)NCC2CC2)c1 ZINC000043655901 343696877 /nfs/dbraw/zinc/69/68/77/343696877.db2.gz UAMYWZIYSWIPRL-UHFFFAOYSA-N 0 0 247.298 2.177 50 0 BEAARN CC[C@H](C)C(=O)O[C@H]1CCCC[C@H]1C(=O)OC ZINC000247285764 343697300 /nfs/dbraw/zinc/69/73/00/343697300.db2.gz YVMWODHBBXEVIM-AXFHLTTASA-N 0 0 242.315 2.308 50 0 BEAARN O=c1c2ccccc2nc2n1-c1ccccc1CC2 ZINC000000519177 346963187 /nfs/dbraw/zinc/96/31/87/346963187.db2.gz UMNCYWHVYBMMOO-UHFFFAOYSA-N 0 0 248.285 2.484 50 0 biogenic BEAARN COC(=O)C1CCC(CBr)CC1 ZINC000078198916 343784485 /nfs/dbraw/zinc/78/44/85/343784485.db2.gz BXJXDCCSZTVLTR-UHFFFAOYSA-N 0 0 235.121 2.361 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)O ZINC000100096853 187274747 /nfs/dbraw/zinc/27/47/47/187274747.db2.gz UJNOLBSYLSYIBM-WRWGMCAJSA-N 0 0 228.332 2.371 50 0 BEAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000068003588 187274827 /nfs/dbraw/zinc/27/48/27/187274827.db2.gz DFALZQBOIYMCKU-CYBMUJFWSA-N 0 0 243.310 2.257 50 0 BEAARN Cc1ccc2occ(-c3ncc[nH]3)c(=O)c2c1 ZINC000067847330 187275256 /nfs/dbraw/zinc/27/52/56/187275256.db2.gz SJOQUEAEDQJPOK-UHFFFAOYSA-N 0 0 226.235 2.492 50 0 BEAARN Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(C)c1 ZINC000000541529 346994205 /nfs/dbraw/zinc/99/42/05/346994205.db2.gz FZDLAGKDDPJRJL-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN CCC(=O)NC1(C(=O)OC(C)(C)C)CCCC1 ZINC000075140522 187277406 /nfs/dbraw/zinc/27/74/06/187277406.db2.gz WWOHRNURWQSRFH-UHFFFAOYSA-N 0 0 241.331 2.167 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1F ZINC000012916140 178598308 /nfs/dbraw/zinc/59/83/08/178598308.db2.gz RQAABULGQRVVDE-ONGXEEELSA-N 0 0 221.275 2.406 50 0 BEAARN C[C@@H](Nc1ncccc1F)c1ccn(C)n1 ZINC000334724795 343903601 /nfs/dbraw/zinc/90/36/01/343903601.db2.gz MOVFPIXJOHXRBY-MRVPVSSYSA-N 0 0 220.251 2.127 50 0 BEAARN FC[C@@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000407947272 343936136 /nfs/dbraw/zinc/93/61/36/343936136.db2.gz AABFOGZWYGVPSQ-JTQLQIEISA-N 0 0 231.274 2.426 50 0 BEAARN CCO[C@@H](C[NH+](C)C)c1ccccc1OC ZINC000005718324 347017081 /nfs/dbraw/zinc/01/70/81/347017081.db2.gz CQCWMZUBRIEDQA-ZDUSSCGKSA-N 0 0 223.316 2.334 50 0 BEAARN CCC1CN(C(=O)c2cc(F)ccc2O)C1 ZINC000335113515 343928989 /nfs/dbraw/zinc/92/89/89/343928989.db2.gz DUHLLADMPPOAPH-UHFFFAOYSA-N 0 0 223.247 2.013 50 0 BEAARN FC[C@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000407947273 343935922 /nfs/dbraw/zinc/93/59/22/343935922.db2.gz AABFOGZWYGVPSQ-SNVBAGLBSA-N 0 0 231.274 2.426 50 0 BEAARN COc1ccc(CN(C)Cc2cscn2)cn1 ZINC000085788437 187285359 /nfs/dbraw/zinc/28/53/59/187285359.db2.gz ITTKIUDYVACEQM-UHFFFAOYSA-N 0 0 249.339 2.179 50 0 BEAARN Clc1nc2ncsc2c(Cl)n1 ZINC000085224466 187285523 /nfs/dbraw/zinc/28/55/23/187285523.db2.gz ZWONAZRQCSMTFK-UHFFFAOYSA-N 0 0 206.057 2.393 50 0 BEAARN O=C([O-])C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC000084309099 187285565 /nfs/dbraw/zinc/28/55/65/187285565.db2.gz PXSPEDFYJGUBQE-UHFFFAOYSA-N 0 0 231.295 2.126 50 0 BEAARN Cc1n[nH]cc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094423999 187287096 /nfs/dbraw/zinc/28/70/96/187287096.db2.gz QKIJITJDSRFGLW-LLVKDONJSA-N 0 0 237.347 2.154 50 0 BEAARN Cc1nccc(N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000097212661 344096798 /nfs/dbraw/zinc/09/67/98/344096798.db2.gz YCZQDJZEXXTTIG-VXGBXAGGSA-N 0 0 215.300 2.187 50 0 BEAARN Cc1nccc(N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000097212662 344096813 /nfs/dbraw/zinc/09/68/13/344096813.db2.gz YCZQDJZEXXTTIG-RYUDHWBXSA-N 0 0 215.300 2.187 50 0 BEAARN C[C@@H]1Oc2ccc(Br)cc2C1=O ZINC000105738341 344163709 /nfs/dbraw/zinc/16/37/09/344163709.db2.gz PHMGSVNWPDXFLL-YFKPBYRVSA-N 0 0 227.057 2.413 50 0 BEAARN C=CC(=O)N1CC(F)(c2ccccc2F)C1 ZINC000585141837 344173422 /nfs/dbraw/zinc/17/34/22/344173422.db2.gz ZFXDIGTUEFQVPF-UHFFFAOYSA-N 0 0 223.222 2.019 50 0 BEAARN CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccn(C)n1 ZINC000585141634 344173492 /nfs/dbraw/zinc/17/34/92/344173492.db2.gz DPYGSZMDHGIVKS-WDEREUQCSA-N 0 0 235.331 2.213 50 0 BEAARN COC(=O)c1oc2ccccc2c1NC(C)=O ZINC000000059900 344127348 /nfs/dbraw/zinc/12/73/48/344127348.db2.gz YMZIKMLJTFRLKS-UHFFFAOYSA-N 0 0 233.223 2.178 50 0 BEAARN O=C(CCc1ccccc1)NCC1CC1 ZINC000043752276 344142327 /nfs/dbraw/zinc/14/23/27/344142327.db2.gz BAPRQQJKPWHXAE-UHFFFAOYSA-N 0 0 203.285 2.145 50 0 BEAARN C=CC(=O)NCc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000585133949 344147414 /nfs/dbraw/zinc/14/74/14/344147414.db2.gz HWFPZDXSBPBCOH-UHFFFAOYSA-N 0 0 245.257 2.018 50 0 BEAARN Cc1ccccc1-c1cn2c(n1)COCC2 ZINC000585133994 344147430 /nfs/dbraw/zinc/14/74/30/344147430.db2.gz YBMSAWKJBYUUGF-UHFFFAOYSA-N 0 0 214.268 2.389 50 0 BEAARN CC/C=C/CCNc1cnn(-c2ncccn2)c1 ZINC000585137308 344149239 /nfs/dbraw/zinc/14/92/39/344149239.db2.gz RUOQILQIRFEZJK-ONEGZZNKSA-N 0 0 243.314 2.431 50 0 BEAARN CC(C)COc1ncc(O)cc1Cl ZINC000097758474 187289939 /nfs/dbraw/zinc/28/99/39/187289939.db2.gz ILOUKZPAZLUKOB-UHFFFAOYSA-N 0 0 201.653 2.475 50 0 BEAARN O=C(NC[C@]1(O)C=CCCC1)Nc1ccccc1 ZINC000585146626 344208130 /nfs/dbraw/zinc/20/81/30/344208130.db2.gz LSJZBIYZZZIXGH-AWEZNQCLSA-N 0 0 246.310 2.279 50 0 BEAARN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc[nH]1 ZINC000067858886 349904989 /nfs/dbraw/zinc/90/49/89/349904989.db2.gz VBZGPUQHIIQSRV-YPMHNXCESA-N 0 0 226.279 2.301 50 0 BEAARN C=COCCOC(=O)c1cccc2c1ccn2C ZINC000097113108 187289379 /nfs/dbraw/zinc/28/93/79/187289379.db2.gz ZJSIRFQRHCSQFI-UHFFFAOYSA-N 0 0 245.278 2.495 50 0 BEAARN Cc1cnc(C(=O)Nc2cccc(F)c2)cn1 ZINC000006152391 344242817 /nfs/dbraw/zinc/24/28/17/344242817.db2.gz RASUCYQOUNOGRU-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN Cc1ccc(Cn2c(C)cc(O)cc2=O)cc1 ZINC000006199367 178665999 /nfs/dbraw/zinc/66/59/99/178665999.db2.gz QVAHEWKIVCYVKP-UHFFFAOYSA-N 0 0 229.279 2.219 50 0 BEAARN CC(C)SCC(=O)NCCc1ccccc1 ZINC000084622355 344448455 /nfs/dbraw/zinc/44/84/55/344448455.db2.gz SZKAUEZCDBSNSV-UHFFFAOYSA-N 0 0 237.368 2.487 50 0 BEAARN CCCCCCc1nc2ccccc2c(=O)n1N ZINC000004838148 344495389 /nfs/dbraw/zinc/49/53/89/344495389.db2.gz YPJAVWROWBXMKG-UHFFFAOYSA-N 0 0 245.326 2.233 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)N[C@H](CC)CO ZINC000060907671 344498937 /nfs/dbraw/zinc/49/89/37/344498937.db2.gz LUCJWJGLCCSFHO-VXGBXAGGSA-N 0 0 244.379 2.273 50 0 BEAARN CC1(C)C[NH2+]CN1Cc1ccc(Cl)cc1 ZINC000072320668 344535931 /nfs/dbraw/zinc/53/59/31/344535931.db2.gz MJZDLIOQQCDLFH-UHFFFAOYSA-N 0 0 224.735 2.481 50 0 BEAARN O=C(CCc1c[nH]c2ccccc12)NC1CC1 ZINC000000128503 344559969 /nfs/dbraw/zinc/55/99/69/344559969.db2.gz RANZRTOGLIETAR-UHFFFAOYSA-N 0 0 228.295 2.379 50 0 BEAARN COC(=O)c1ccc(OC(=O)C(C)C)cc1 ZINC000000150326 344569506 /nfs/dbraw/zinc/56/95/06/344569506.db2.gz COBPCLZOYRKADN-UHFFFAOYSA-N 0 0 222.240 2.035 50 0 BEAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)NC1CC1 ZINC000024564796 537848503 /nfs/dbraw/zinc/84/85/03/537848503.db2.gz CPTNWSWAYFYBQP-UHFFFAOYSA-N 0 0 246.285 2.437 50 0 BEAARN C=CC(=O)NCCN(CC)c1cccc(C)c1 ZINC000230643614 344732983 /nfs/dbraw/zinc/73/29/83/344732983.db2.gz FZMXRGMWDBEZJS-UHFFFAOYSA-N 0 0 232.327 2.124 50 0 BEAARN Cc1ccc(N)c(-c2n[nH]c(C3CC3)n2)c1 ZINC000036379449 178702998 /nfs/dbraw/zinc/70/29/98/178702998.db2.gz VARILXNTLVKIIN-UHFFFAOYSA-N 0 0 214.272 2.240 50 0 BEAARN O=C(Nc1cccnc1)N1CCCSCC1 ZINC000077678409 344825581 /nfs/dbraw/zinc/82/55/81/344825581.db2.gz QVKHXNGKKVEOJS-UHFFFAOYSA-N 0 0 237.328 2.052 50 0 BEAARN Cc1ccc(NC(=O)c2cccnc2)cc1N ZINC000019426626 178753559 /nfs/dbraw/zinc/75/35/59/178753559.db2.gz KEJVWGOGEAIFGY-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN Cc1ccc(NC(=O)c2cnsn2)cc1C ZINC000016361802 178755150 /nfs/dbraw/zinc/75/51/50/178755150.db2.gz WRHOFIPQVHCOOL-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ccc(NC2=CCS(=O)(=O)C2)cc1 ZINC000100441287 178756391 /nfs/dbraw/zinc/75/63/91/178756391.db2.gz UVAKEUVIRJBNOE-UHFFFAOYSA-N 0 0 223.297 2.067 50 0 BEAARN Cc1cc(C(=O)NCc2cccc(Cl)c2)[nH]n1 ZINC000048823146 344845864 /nfs/dbraw/zinc/84/58/64/344845864.db2.gz LWOJADZPRVVEJI-UHFFFAOYSA-N 0 0 249.701 2.302 50 0 BEAARN CC(=O)c1ccccc1OC(=O)c1cccn1C ZINC000005726491 347084556 /nfs/dbraw/zinc/08/45/56/347084556.db2.gz GKPFYMIPIZNYHN-UHFFFAOYSA-N 0 0 243.262 2.447 50 0 BEAARN Cc1ccc2ccc(C)c3c(=O)c(=O)c1c32 ZINC000135730819 344871621 /nfs/dbraw/zinc/87/16/21/344871621.db2.gz YMVJXPYFESLYEO-UHFFFAOYSA-N 0 0 210.232 2.206 50 0 BEAARN Cc1nc(CCCc2ccccc2)n[nH]1 ZINC000036960640 537870146 /nfs/dbraw/zinc/87/01/46/537870146.db2.gz BGHDHEXPOZDWFD-UHFFFAOYSA-N 0 0 201.273 2.288 50 0 BEAARN CCNC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061397648 344927433 /nfs/dbraw/zinc/92/74/33/344927433.db2.gz HGZHQXYLMSKVRO-UHFFFAOYSA-N 0 0 248.330 2.213 50 0 BEAARN CC(C)C(=O)N1CC(n2ccnc2C(C)C)C1 ZINC000409419743 344966141 /nfs/dbraw/zinc/96/61/41/344966141.db2.gz KNEVVAIKQJSRNN-UHFFFAOYSA-N 0 0 235.331 2.046 50 0 BEAARN Cc1ccc(NC(=O)COC(=O)C2CCC2)cc1 ZINC000003217442 344966246 /nfs/dbraw/zinc/96/62/46/344966246.db2.gz DMWNMTPTWXIPTH-UHFFFAOYSA-N 0 0 247.294 2.277 50 0 BEAARN Cc1nccn1C1CN(C(=O)CC2CCCC2)C1 ZINC000409421296 344968990 /nfs/dbraw/zinc/96/89/90/344968990.db2.gz AEVFDCSDNOKMIR-UHFFFAOYSA-N 0 0 247.342 2.155 50 0 BEAARN CC(C)([NH2+]CC(=O)[O-])c1ccc(Cl)cc1 ZINC000225475950 187296479 /nfs/dbraw/zinc/29/64/79/187296479.db2.gz NLXFZTBMXAPTIC-UHFFFAOYSA-N 0 0 227.691 2.249 50 0 BEAARN Fc1ccc(CNc2ncnc3n[nH]cc32)cc1 ZINC000011856456 345038450 /nfs/dbraw/zinc/03/84/50/345038450.db2.gz VDFBGNQXVUBREP-UHFFFAOYSA-N 0 0 243.245 2.104 50 0 BEAARN CC(C)C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000011917224 345068223 /nfs/dbraw/zinc/06/82/23/345068223.db2.gz NWCNUSSKEOORGG-QMMMGPOBSA-N 0 0 222.288 2.394 50 0 BEAARN Cc1ccc(OCc2ccccc2)c[n+]1[O-] ZINC000113349288 178816118 /nfs/dbraw/zinc/81/61/18/178816118.db2.gz FBBMNGYRVLBROF-UHFFFAOYSA-N 0 0 215.252 2.207 50 0 BEAARN CCC1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000016606042 168520381 /nfs/dbraw/zinc/52/03/81/168520381.db2.gz WPNCXOMNLMPIFI-HTAVTVPLSA-N 0 0 225.332 2.250 50 0 BEAARN Cc1oncc1C(=O)N(C)c1ccccc1 ZINC000000385181 187300823 /nfs/dbraw/zinc/30/08/23/187300823.db2.gz UGYHQSNHBLQXIC-UHFFFAOYSA-N 0 0 216.240 2.260 50 0 BEAARN C[C@@]12CC[C@@H]3[C@]1(C)N(CCOC3(C)C)C(=O)O2 ZINC000102998907 187302242 /nfs/dbraw/zinc/30/22/42/187302242.db2.gz ZWWCSLNKKSSOED-BIMULSAOSA-N 0 0 239.315 2.175 50 0 BEAARN CC(C)[C@H]([NH2+]C/C=C\c1ccccc1)C(=O)[O-] ZINC000101366777 187301757 /nfs/dbraw/zinc/30/17/57/187301757.db2.gz PCVKXHHHEIEDHS-XURPKSDJSA-N 0 0 233.311 2.399 50 0 BEAARN CCCCc1c(C)nc(SC)[nH]c1=O ZINC000008648772 187303564 /nfs/dbraw/zinc/30/35/64/187303564.db2.gz GRWDINNHBZLASE-UHFFFAOYSA-N 0 0 212.318 2.143 50 0 BEAARN Cc1cc(CN(C)c2ncccc2F)no1 ZINC000091429059 345592061 /nfs/dbraw/zinc/59/20/61/345592061.db2.gz ZPSXAHJHJFWXCZ-UHFFFAOYSA-N 0 0 221.235 2.154 50 0 BEAARN CC[C@H](C)NC(=O)Nc1cc(C)ns1 ZINC000072313512 537903410 /nfs/dbraw/zinc/90/34/10/537903410.db2.gz BJQSGPMFHUHWLA-LURJTMIESA-N 0 0 213.306 2.372 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000028072862 537901317 /nfs/dbraw/zinc/90/13/17/537901317.db2.gz FDQNCMVCDPEIMF-NQBHXWOUSA-N 0 0 245.322 2.010 50 0 BEAARN CCc1nc(C)cc(N[C@H](CO)C(C)(C)C)n1 ZINC000253415496 345648583 /nfs/dbraw/zinc/64/85/83/345648583.db2.gz KQKBSPHTUCVXFI-SNVBAGLBSA-N 0 0 237.347 2.166 50 0 BEAARN C[C@H]1CN(C(=O)Nc2cccnc2)C[C@@H]1C ZINC000095403832 345686011 /nfs/dbraw/zinc/68/60/11/345686011.db2.gz QTDBFWOHFVEURP-UWVGGRQHSA-N 0 0 219.288 2.201 50 0 BEAARN O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000095423936 345686351 /nfs/dbraw/zinc/68/63/51/345686351.db2.gz OVWFFFYONVDXQF-GFCCVEGCSA-N 0 0 241.294 2.217 50 0 BEAARN CC(C)[C@H]1CN(c2cnccn2)CCS1 ZINC000095962023 345686774 /nfs/dbraw/zinc/68/67/74/345686774.db2.gz HCALOVVQIKSAHK-SNVBAGLBSA-N 0 0 223.345 2.054 50 0 BEAARN CCCC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000025724964 168534585 /nfs/dbraw/zinc/53/45/85/168534585.db2.gz LNGNWIKSPQYEPK-SMDDNHRTSA-N 0 0 235.327 2.367 50 0 BEAARN COC(OC)[C@]1(C)CC(=O)c2ccccc2O1 ZINC000138519337 345773059 /nfs/dbraw/zinc/77/30/59/345773059.db2.gz ACKIZJHRBQFYQG-ZDUSSCGKSA-N 0 0 236.267 2.029 50 0 BEAARN COCCNC(=O)N(C)CC1CCC(C)CC1 ZINC000076065820 345869574 /nfs/dbraw/zinc/86/95/74/345869574.db2.gz JOVRKZDUQZFAIG-UHFFFAOYSA-N 0 0 242.363 2.101 50 0 BEAARN CCC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000170593457 345870535 /nfs/dbraw/zinc/87/05/35/345870535.db2.gz PYGVOCBAGWFVNI-UHFFFAOYSA-N 0 0 218.178 2.449 50 0 BEAARN Cc1ccc(OCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016247506 187310383 /nfs/dbraw/zinc/31/03/83/187310383.db2.gz VBZILWQRPQXHKD-OKILXGFUSA-N 0 0 249.354 2.483 50 0 BEAARN Cc1csc(C(=O)N2CC(CF)C2)c1 ZINC000335429127 187310648 /nfs/dbraw/zinc/31/06/48/187310648.db2.gz UDLLXYXBWNQIOS-UHFFFAOYSA-N 0 0 213.277 2.098 50 0 BEAARN Cc1ccc2c(C)cc(=NN)[nH]c2c1C ZINC000003445766 178939567 /nfs/dbraw/zinc/93/95/67/178939567.db2.gz LPDWOEAWNMGOAO-UHFFFAOYSA-N 0 0 201.273 2.446 50 0 BEAARN C[C@@H](Nc1ncccc1F)c1cnn(C)c1 ZINC000084487647 345923882 /nfs/dbraw/zinc/92/38/82/345923882.db2.gz ZIEWUFFAXUCSDT-MRVPVSSYSA-N 0 0 220.251 2.127 50 0 BEAARN Nc1nccc(Br)c1C(F)(F)F ZINC000148323373 345967283 /nfs/dbraw/zinc/96/72/83/345967283.db2.gz PLZNMKDQXHRDOT-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN [NH3+]Cc1c(C(=O)[O-])sc2ccsc21 ZINC000685943900 537933485 /nfs/dbraw/zinc/93/34/85/537933485.db2.gz JOCVFTLINPFDMO-UHFFFAOYSA-N 0 0 213.283 2.120 50 0 BEAARN CN(Cc1ccncc1)C(=O)N1CCCCC1 ZINC000075572300 537930200 /nfs/dbraw/zinc/93/02/00/537930200.db2.gz AVLVQPKEYQJTFN-UHFFFAOYSA-N 0 0 233.315 2.119 50 0 BEAARN C=CC(=O)N1CCN(C(C)C)c2ccccc2C1 ZINC000328596867 187363945 /nfs/dbraw/zinc/36/39/45/187363945.db2.gz AZKMVXNRUKSBSO-UHFFFAOYSA-N 0 0 244.338 2.430 50 0 BEAARN Cc1cc([C@@H]2CCCN2Cc2cnoc2)on1 ZINC000685945209 537934898 /nfs/dbraw/zinc/93/48/98/537934898.db2.gz ZEEVQNAWRMZPIT-NSHDSACASA-N 0 0 233.271 2.308 50 0 BEAARN C(CSC[C@H]1CCCO1)O[C@@H]1CCCCO1 ZINC000193446214 346166043 /nfs/dbraw/zinc/16/60/43/346166043.db2.gz USOWFRVLATZSBK-VXGBXAGGSA-N 0 0 246.372 2.442 50 0 BEAARN Cc1cccc(C(=O)N(C)CC(F)F)c1 ZINC000103399314 179003822 /nfs/dbraw/zinc/00/38/22/179003822.db2.gz ZJUUNHNNCQCSRW-UHFFFAOYSA-N 0 0 213.227 2.332 50 0 BEAARN Cc1cccc(C(=O)Cc2ncc[nH]2)c1 ZINC000036946668 179004123 /nfs/dbraw/zinc/00/41/23/179004123.db2.gz KCFPQKCYLRGFFL-UHFFFAOYSA-N 0 0 200.241 2.144 50 0 BEAARN Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)n1 ZINC000032909724 179005649 /nfs/dbraw/zinc/00/56/49/179005649.db2.gz WRIDRECWQBRKKC-JTQLQIEISA-N 0 0 218.300 2.261 50 0 BEAARN Cc1cccc(C(=O)N2CCCC[C@@H]2C)n1 ZINC000032909240 179007283 /nfs/dbraw/zinc/00/72/83/179007283.db2.gz IYQOXGBQNVBZID-NSHDSACASA-N 0 0 218.300 2.405 50 0 BEAARN CSc1nccc(-c2c(C)noc2C)n1 ZINC000020783237 187316983 /nfs/dbraw/zinc/31/69/83/187316983.db2.gz CXJNTWDINDTASA-UHFFFAOYSA-N 0 0 221.285 2.470 50 0 BEAARN CCOc1cccnc1I ZINC000167442674 346247699 /nfs/dbraw/zinc/24/76/99/346247699.db2.gz UHPZVBCZDDJOON-UHFFFAOYSA-N 0 0 249.051 2.085 50 0 BEAARN CSc1ccccc1-c1nnc(NC(C)=O)o1 ZINC000004585546 346251640 /nfs/dbraw/zinc/25/16/40/346251640.db2.gz PSZSOWGHEPIVLW-UHFFFAOYSA-N 0 0 249.295 2.417 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)c2ncon2)c1F ZINC000097047497 179023834 /nfs/dbraw/zinc/02/38/34/179023834.db2.gz RLFFZQSESNPAHD-MRVPVSSYSA-N 0 0 249.245 2.008 50 0 BEAARN CC1=C(C(=O)c2ccccc2)[C@@H](C)NC(=S)N1 ZINC000005527910 346266054 /nfs/dbraw/zinc/26/60/54/346266054.db2.gz ATXQDHMHWZMULU-MRVPVSSYSA-N 0 0 246.335 2.010 50 0 BEAARN C1=CC[C@H]2CN(c3nc(C4CC4)no3)C[C@@H]2C1 ZINC000078370800 537964141 /nfs/dbraw/zinc/96/41/41/537964141.db2.gz YEADSVSDAZSBMT-QWRGUYRKSA-N 0 0 231.299 2.349 50 0 BEAARN Cc1cccc(C(=O)NCc2ccnc(C)n2)c1 ZINC000048826462 179020177 /nfs/dbraw/zinc/02/01/77/179020177.db2.gz MYYWVLBNEAADJA-UHFFFAOYSA-N 0 0 241.294 2.023 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000016604681 179021812 /nfs/dbraw/zinc/02/18/12/179021812.db2.gz ISDUWWXJUQDUEQ-WCQYABFASA-N 0 0 233.311 2.292 50 0 BEAARN Cn1cnc2cc(F)cc(Br)c21 ZINC000217049142 187319247 /nfs/dbraw/zinc/31/92/47/187319247.db2.gz FJFRQSNZKWSEIX-UHFFFAOYSA-N 0 0 229.052 2.475 50 0 BEAARN Cc1cccc(C)c1C(=O)N[C@H](C)[C@H](C)CO ZINC000095441344 179031483 /nfs/dbraw/zinc/03/14/83/179031483.db2.gz ZGAHCYHKPHXQFJ-VXGBXAGGSA-N 0 0 235.327 2.050 50 0 BEAARN Cc1cccc(C)c1NC(=O)N(CCO)C1CC1 ZINC000040526391 179040516 /nfs/dbraw/zinc/04/05/16/179040516.db2.gz ZFCQPVLZGNODPY-UHFFFAOYSA-N 0 0 248.326 2.292 50 0 BEAARN Cc1cccc(C2([NH2+]CC(=O)[O-])CCCC2)c1 ZINC000237621675 179050945 /nfs/dbraw/zinc/05/09/45/179050945.db2.gz JVABICSPEMVBBM-UHFFFAOYSA-N 0 0 233.311 2.439 50 0 BEAARN CCn1nc(C)cc1NC(=O)C1CCCC1 ZINC000028305691 187320635 /nfs/dbraw/zinc/32/06/35/187320635.db2.gz MBQCTQNFCARRSI-UHFFFAOYSA-N 0 0 221.304 2.340 50 0 BEAARN Cc1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000000126471 346400732 /nfs/dbraw/zinc/40/07/32/346400732.db2.gz WTEYYWGMRFYMII-UHFFFAOYSA-N 0 0 220.297 2.021 50 0 BEAARN Cc1ccc(Nc2cc(=O)[nH]n2C)cc1Cl ZINC000000164584 346402205 /nfs/dbraw/zinc/40/22/05/346402205.db2.gz MPNBHQMBGNNTKB-UHFFFAOYSA-N 0 0 237.690 2.419 50 0 BEAARN Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000003755317 179075025 /nfs/dbraw/zinc/07/50/25/179075025.db2.gz RMXUHTDULIZIDH-CYBMUJFWSA-N 0 0 233.311 2.434 50 0 BEAARN Nc1ccc(S(=O)c2ccc(N)cc2)cc1 ZINC000000001658 346403098 /nfs/dbraw/zinc/40/30/98/346403098.db2.gz MITHMOYLTXMLRB-UHFFFAOYSA-N 0 0 232.308 2.018 50 0 BEAARN CC[C@@H](C)C(=O)NCCc1ccccc1 ZINC000000030869 346403124 /nfs/dbraw/zinc/40/31/24/346403124.db2.gz ATJCPLZYBIYWSZ-LLVKDONJSA-N 0 0 205.301 2.391 50 0 biogenic BEAARN COC(=O)CCC(=O)Nc1cccc(Cl)c1 ZINC000000266124 346406212 /nfs/dbraw/zinc/40/62/12/346406212.db2.gz TUAOEXYJOVOKCK-UHFFFAOYSA-N 0 0 241.674 2.232 50 0 BEAARN COc1cc(N)c(C)c2c(C)ccnc12 ZINC000000397939 346416457 /nfs/dbraw/zinc/41/64/57/346416457.db2.gz QHFDBNOHESLPEJ-UHFFFAOYSA-N 0 0 202.257 2.442 50 0 BEAARN CC(C)CNC(=O)/C=C/c1ccccc1 ZINC000000441670 346418802 /nfs/dbraw/zinc/41/88/02/346418802.db2.gz LNXFPTPVIMNAOD-CMDGGOBGSA-N 0 0 203.285 2.472 50 0 BEAARN O=C(c1ccc(F)c(F)c1)N1CCCC1 ZINC000000444417 346419299 /nfs/dbraw/zinc/41/92/99/346419299.db2.gz XVRHFURUJQNMAM-UHFFFAOYSA-N 0 0 211.211 2.201 50 0 BEAARN CCCc1nnc(NC(=O)C(C)(C)C)s1 ZINC000001022425 346431502 /nfs/dbraw/zinc/43/15/02/346431502.db2.gz GMMCOOOUDUJFSW-UHFFFAOYSA-N 0 0 227.333 2.475 50 0 BEAARN Cc1c(C=C2SC(=S)NC2=O)cnn1C ZINC000001021555 346431533 /nfs/dbraw/zinc/43/15/33/346431533.db2.gz BIBQUTKJONFZJP-XVNBXDOJSA-N 0 0 239.325 2.058 50 0 BEAARN Cc1cccc(Nc2nc(O)cs2)c1C ZINC000001413675 346444477 /nfs/dbraw/zinc/44/44/77/346444477.db2.gz VGBTWQQHKDFHRG-UHFFFAOYSA-N 0 0 220.297 2.345 50 0 BEAARN c1ccc(C2=NN=C3C=CC=CN3C2)cc1 ZINC000001247118 346434114 /nfs/dbraw/zinc/43/41/14/346434114.db2.gz JGJCQHODPYSQEG-UHFFFAOYSA-N 0 0 209.252 2.188 50 0 BEAARN Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C)c1 ZINC000032760758 179088378 /nfs/dbraw/zinc/08/83/78/179088378.db2.gz JXKCBEJQWITBPW-JQWIXIFHSA-N 0 0 203.285 2.267 50 0 BEAARN Cc1cccc(N(C)CCOCC2CC2)n1 ZINC000157949909 179115909 /nfs/dbraw/zinc/11/59/09/179115909.db2.gz AQPGDSSTOJSQHH-UHFFFAOYSA-N 0 0 220.316 2.253 50 0 BEAARN O=C1CCc2cc(OCc3ccon3)ccc21 ZINC000186853575 346541099 /nfs/dbraw/zinc/54/10/99/346541099.db2.gz SIBUJTDOZFLYBE-UHFFFAOYSA-N 0 0 229.235 2.383 50 0 BEAARN Cc1cccc(N(C)Cc2nccs2)n1 ZINC000097163345 179118015 /nfs/dbraw/zinc/11/80/15/179118015.db2.gz UJDMFGRQUJAORM-UHFFFAOYSA-N 0 0 219.313 2.483 50 0 BEAARN C[C@H](C(=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000082343104 537983129 /nfs/dbraw/zinc/98/31/29/537983129.db2.gz HBRSSCLTCVYAAK-AAEUAGOBSA-N 0 0 233.311 2.229 50 0 BEAARN CCCC(=O)Nc1cc(-c2ccncc2)no1 ZINC000096183279 168561419 /nfs/dbraw/zinc/56/14/19/168561419.db2.gz IXRPUNIBPOGVON-UHFFFAOYSA-N 0 0 231.255 2.475 50 0 BEAARN CC(C)(C)CCSCC(=O)NC1CC1 ZINC000187555058 346586246 /nfs/dbraw/zinc/58/62/46/346586246.db2.gz ZBJUMNDQYINUST-UHFFFAOYSA-N 0 0 215.362 2.434 50 0 BEAARN Cc1cccc(N(N)CC(F)(F)F)c1 ZINC000085392019 179119921 /nfs/dbraw/zinc/11/99/21/179119921.db2.gz OIVIWSUZARXKQA-UHFFFAOYSA-N 0 0 204.195 2.237 50 0 BEAARN Cc1cccc(NC(=O)CCn2cccn2)c1 ZINC000020602978 179128239 /nfs/dbraw/zinc/12/82/39/179128239.db2.gz IASXTXPMLVDKOF-UHFFFAOYSA-N 0 0 229.283 2.220 50 0 BEAARN CONC(=O)N1CCCC[C@H]1CC(C)C ZINC000167059424 346697012 /nfs/dbraw/zinc/69/70/12/346697012.db2.gz UGWFYOSPNVNUGF-JTQLQIEISA-N 0 0 214.309 2.158 50 0 BEAARN Cc1cccc(N[C@H](C)C(=O)NC2CC2)c1C ZINC000007042217 179156170 /nfs/dbraw/zinc/15/61/70/179156170.db2.gz ITMJQCYBQFWPRA-LLVKDONJSA-N 0 0 232.327 2.382 50 0 BEAARN Cc1cccc(OC/C=C/CN2CCOCC2)c1 ZINC000016622344 179161493 /nfs/dbraw/zinc/16/14/93/179161493.db2.gz XWBUVGUWXFRDOE-NSCUHMNNSA-N 0 0 247.338 2.262 50 0 BEAARN Cc1nnsc1C(=O)Oc1cccc(C)c1 ZINC000008673490 179161638 /nfs/dbraw/zinc/16/16/38/179161638.db2.gz RFYBIQCLIXPXPT-UHFFFAOYSA-N 0 0 234.280 2.374 50 0 BEAARN Cc1cccc(OCC(=O)N2CCCCC2)c1 ZINC000000584322 179163320 /nfs/dbraw/zinc/16/33/20/179163320.db2.gz LBSRICZHWRGMSO-UHFFFAOYSA-N 0 0 233.311 2.386 50 0 BEAARN Cc1cccc(OCC(=O)NCc2ccco2)c1 ZINC000000449592 179163395 /nfs/dbraw/zinc/16/33/95/179163395.db2.gz PWOCVYQIVLFTCH-UHFFFAOYSA-N 0 0 245.278 2.283 50 0 BEAARN Cc1cccc(OCC(=O)NC(C)(C)C)c1 ZINC000000580926 179163603 /nfs/dbraw/zinc/16/36/03/179163603.db2.gz IPONZDZVHAPPMU-UHFFFAOYSA-N 0 0 221.300 2.289 50 0 BEAARN Cc1cccc(OCCSc2nncn2C)c1 ZINC000002664447 179170085 /nfs/dbraw/zinc/17/00/85/179170085.db2.gz NWAXWVSYMJWMKW-UHFFFAOYSA-N 0 0 249.339 2.295 50 0 BEAARN Cc1nc(CNC(=O)CC(C)C)cs1 ZINC000015832250 347137210 /nfs/dbraw/zinc/13/72/10/347137210.db2.gz MVPSJUMKDMEDOX-UHFFFAOYSA-N 0 0 212.318 2.114 50 0 BEAARN Cc1cccc(OCC2N=NC(=S)N2C)c1C ZINC000005520390 179173538 /nfs/dbraw/zinc/17/35/38/179173538.db2.gz AHIOBQBRBKGXLJ-UHFFFAOYSA-N 0 0 249.339 2.300 50 0 BEAARN Cc1cccc(OCc2nnnn2C2CC2)c1C ZINC000065522761 179173602 /nfs/dbraw/zinc/17/36/02/179173602.db2.gz AGUXNBNCBKPZCR-UHFFFAOYSA-N 0 0 244.298 2.204 50 0 BEAARN Cc1cccc([C@@H]2Nc3ncccc3C(=O)N2)c1 ZINC000065606985 179204718 /nfs/dbraw/zinc/20/47/18/179204718.db2.gz FLBKNIMZGJXCIY-GFCCVEGCSA-N 0 0 239.278 2.244 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(C)ccc1O ZINC000019837175 347360471 /nfs/dbraw/zinc/36/04/71/347360471.db2.gz ZNPWZSLSDMFLIV-SECBINFHSA-N 0 0 207.273 2.229 50 0 BEAARN Cc1c(C=O)cnn1-c1ccccc1C ZINC000000161896 179243112 /nfs/dbraw/zinc/24/31/12/179243112.db2.gz DJZJNNNRWOMSII-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1ccccc1C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000045523723 179248240 /nfs/dbraw/zinc/24/82/40/179248240.db2.gz IIICNVPJOBTBDZ-RYUDHWBXSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1ccccc1C(=O)NCCCn1ccnc1 ZINC000002742563 179249135 /nfs/dbraw/zinc/24/91/35/179249135.db2.gz CUZIUQUKUKHCBO-UHFFFAOYSA-N 0 0 243.310 2.012 50 0 BEAARN Cc1ccccc1C(=O)Nc1ccon1 ZINC000013745716 179252193 /nfs/dbraw/zinc/25/21/93/179252193.db2.gz SWLWGFQMTCIOGC-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CCSCCSCc1nc(N(C)C)no1 ZINC000194691049 347573901 /nfs/dbraw/zinc/57/39/01/347573901.db2.gz JTECFJVSAJEMDX-UHFFFAOYSA-N 0 0 247.389 2.122 50 0 BEAARN Cc1ccccc1CN1C(=O)N[C@H](C(C)C)C1=O ZINC000025822339 179271247 /nfs/dbraw/zinc/27/12/47/179271247.db2.gz HUDNBJYHKWXCRQ-GFCCVEGCSA-N 0 0 246.310 2.071 50 0 BEAARN COCCN(C(=O)CC1CC1)[C@H]1CC[C@H](C)C1 ZINC000195580189 347642194 /nfs/dbraw/zinc/64/21/94/347642194.db2.gz GFCAHIYJZZLGMT-AAEUAGOBSA-N 0 0 239.359 2.450 50 0 BEAARN CCOC(=O)[C@@]1(C)CCN(c2cccc(C)n2)C1 ZINC000195566901 347647182 /nfs/dbraw/zinc/64/71/82/347647182.db2.gz KTXMIGROWBZTDD-AWEZNQCLSA-N 0 0 248.326 2.170 50 0 BEAARN CCn1nccc1CCOC(=O)c1ccoc1C ZINC000195577882 347648458 /nfs/dbraw/zinc/64/84/58/347648458.db2.gz ZMBIWUBQIYFKFE-UHFFFAOYSA-N 0 0 248.282 2.204 50 0 BEAARN COCCCN(C)C(=O)N1CCCCC[C@@H]1C ZINC000195576863 347648747 /nfs/dbraw/zinc/64/87/47/347648747.db2.gz WIWRHXVTARSHTK-LBPRGKRZSA-N 0 0 242.363 2.339 50 0 BEAARN Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C ZINC000032678663 179279400 /nfs/dbraw/zinc/27/94/00/179279400.db2.gz SHDVIQPUDSDHMT-PWSUYJOCSA-N 0 0 203.285 2.267 50 0 BEAARN Cc1ccccc1CS(=O)(=O)NC(C)(C)C ZINC000016577910 179286874 /nfs/dbraw/zinc/28/68/74/179286874.db2.gz PJFSIAKCOPMXDF-UHFFFAOYSA-N 0 0 241.356 2.213 50 0 BEAARN CCn1ncc(C)c1NC(=O)Cc1cccs1 ZINC000618445110 347807686 /nfs/dbraw/zinc/80/76/86/347807686.db2.gz KIRAUOYWLLAZGO-UHFFFAOYSA-N 0 0 249.339 2.454 50 0 BEAARN Cc1ccccc1N1C(=O)[C@H]2CCCCN2C1=O ZINC000170592385 179295666 /nfs/dbraw/zinc/29/56/66/179295666.db2.gz CNVHESOVYLAAKH-GFCCVEGCSA-N 0 0 244.294 2.316 50 0 BEAARN Cc1ccccc1NC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000075156880 179300767 /nfs/dbraw/zinc/30/07/67/179300767.db2.gz QXCLZEOEDNASQA-NWDGAFQWSA-N 0 0 248.326 2.420 50 0 BEAARN Cc1ccccc1NC(=S)NC1CC1 ZINC000003252931 179303635 /nfs/dbraw/zinc/30/36/35/179303635.db2.gz SYULGIUKBXGXBA-UHFFFAOYSA-N 0 0 206.314 2.444 50 0 BEAARN Cc1ccccc1NC(=O)C(=O)c1ccc[nH]1 ZINC000065083639 179296972 /nfs/dbraw/zinc/29/69/72/179296972.db2.gz YPHPNEMVRWMBLQ-UHFFFAOYSA-N 0 0 228.251 2.145 50 0 BEAARN Cc1ccccc1NC(=O)COC(=O)C(C)C ZINC000005713278 179299122 /nfs/dbraw/zinc/29/91/22/179299122.db2.gz WOMJNIWUOMOCDZ-UHFFFAOYSA-N 0 0 235.283 2.133 50 0 BEAARN Cc1ccccc1OCC(=O)Nc1ccccn1 ZINC000000341692 179309593 /nfs/dbraw/zinc/30/95/93/179309593.db2.gz QKMJDVFLMNRAPL-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN Cc1ccccc1SCC(=O)NC1CC1 ZINC000048089523 179314839 /nfs/dbraw/zinc/31/48/39/179314839.db2.gz UUALMUAWOZUWAY-UHFFFAOYSA-N 0 0 221.325 2.366 50 0 BEAARN Cc1ccccc1S(=O)(=O)NCCC(C)C ZINC000000363921 179314909 /nfs/dbraw/zinc/31/49/09/179314909.db2.gz XNMLWLYMYVEYLK-UHFFFAOYSA-N 0 0 241.356 2.319 50 0 BEAARN Cc1ccccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000004833512 179312484 /nfs/dbraw/zinc/31/24/84/179312484.db2.gz AYTDMGCBSYLNTA-LBPRGKRZSA-N 0 0 233.311 2.385 50 0 BEAARN Cc1ccccc1[C@H](C)NC(=O)c1cnccn1 ZINC000017963494 179336761 /nfs/dbraw/zinc/33/67/61/179336761.db2.gz DBJKTIJXTOSJDU-NSHDSACASA-N 0 0 241.294 2.276 50 0 BEAARN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)[O-])C1 ZINC000237545471 179332170 /nfs/dbraw/zinc/33/21/70/179332170.db2.gz QZCVSSILRVNRLG-NWDGAFQWSA-N 0 0 233.311 2.257 50 0 BEAARN Cc1cccn(CCN(C)c2ccccc2)c1=O ZINC000089700357 179351859 /nfs/dbraw/zinc/35/18/59/179351859.db2.gz FSGQRQVOKVNITI-UHFFFAOYSA-N 0 0 242.322 2.293 50 0 BEAARN COc1cc(N)ccc1-c1ccncc1 ZINC000222075485 348208277 /nfs/dbraw/zinc/20/82/77/348208277.db2.gz DNEFDHHCJWTOCA-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN Cc1cccnc1CNC(=O)c1cccc(F)c1 ZINC000071847811 179382812 /nfs/dbraw/zinc/38/28/12/179382812.db2.gz NAEPHEJBGLFFEF-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1cccnc1CNC(=O)c1cccs1 ZINC000071847812 179381489 /nfs/dbraw/zinc/38/14/89/179381489.db2.gz IWHXWDIGYIZPSL-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Cc1ccnc(-n2ccc(-c3cnccn3)n2)c1 ZINC000065383655 229604096 /nfs/dbraw/zinc/60/40/96/229604096.db2.gz AAKYJEFVNWTDIT-UHFFFAOYSA-N 0 0 237.266 2.033 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@]1(C)c1ccccc1 ZINC000669382680 538005551 /nfs/dbraw/zinc/00/55/51/538005551.db2.gz IGBKIUKIYLOSFX-OLZOCXBDSA-N 0 0 220.268 2.254 50 0 BEAARN Cc1ccsc1C(=O)Nc1cnn(C)c1 ZINC000036763806 179539160 /nfs/dbraw/zinc/53/91/60/179539160.db2.gz AEKBKWUJGHSMRF-UHFFFAOYSA-N 0 0 221.285 2.042 50 0 BEAARN Cc1cnc(C[S@](=O)C2CCCCC2)cn1 ZINC000170615913 179616972 /nfs/dbraw/zinc/61/69/72/179616972.db2.gz JMHDODXTGBDDTJ-INIZCTEOSA-N 0 0 238.356 2.366 50 0 BEAARN COc1ccc(Cl)cc1Cn1cc(C)nn1 ZINC000093504504 348831776 /nfs/dbraw/zinc/83/17/76/348831776.db2.gz FKSCUJXJRXFWMT-UHFFFAOYSA-N 0 0 237.690 2.297 50 0 BEAARN Cc1cncc(Oc2cccc(N)c2)n1 ZINC000012370723 179684208 /nfs/dbraw/zinc/68/42/08/179684208.db2.gz ZFDWDKWQAXTCSU-UHFFFAOYSA-N 0 0 201.229 2.160 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]12CCCC[C@@H]2C ZINC000669384396 538015523 /nfs/dbraw/zinc/01/55/23/538015523.db2.gz VINDUOANHPCCLB-MVWJERBFSA-N 0 0 212.289 2.287 50 0 BEAARN CC(=O)c1cnc(-c2cccnc2)s1 ZINC000001394728 190972200 /nfs/dbraw/zinc/97/22/00/190972200.db2.gz IAKIMVYKEBGSAF-UHFFFAOYSA-N 0 0 204.254 2.408 50 0 BEAARN Cc1csc(NC(=O)CC[C@@H]2CCCO2)n1 ZINC000048264857 179784886 /nfs/dbraw/zinc/78/48/86/179784886.db2.gz WUCGNZZHWHPCEM-VIFPVBQESA-N 0 0 240.328 2.349 50 0 BEAARN CC1(C)OC(=O)N[C@H]1Cc1ccccc1 ZINC000000396163 190970081 /nfs/dbraw/zinc/97/00/81/190970081.db2.gz AEEGFEJKONZGOH-JTQLQIEISA-N 0 0 205.257 2.116 50 0 BEAARN CC(=O)c1nc2cc(F)c(F)cc2nc1C ZINC000001429384 190971544 /nfs/dbraw/zinc/97/15/44/190971544.db2.gz CENUBNSFCTXNNP-UHFFFAOYSA-N 0 0 222.194 2.419 50 0 BEAARN Cc1[nH]nc(NC(=O)Nc2nccs2)c1C ZINC000170616958 179837841 /nfs/dbraw/zinc/83/78/41/179837841.db2.gz WWGXGPWIVUMFTH-UHFFFAOYSA-N 0 0 237.288 2.127 50 0 BEAARN C/C=C/C=C/C(=O)Nc1nnc(CC)s1 ZINC000029873080 190983758 /nfs/dbraw/zinc/98/37/58/190983758.db2.gz OIBCICZPKZOIDO-TWTPFVCWSA-N 0 0 223.301 2.171 50 0 BEAARN Cc1nc(C(C)C)sc1C(=O)N(C)C ZINC000040093846 179896799 /nfs/dbraw/zinc/89/67/99/179896799.db2.gz MTHSKYPLEIMOLX-UHFFFAOYSA-N 0 0 212.318 2.277 50 0 BEAARN COC(=O)C[C@@H](C)OC(=O)c1ccc(C)cc1 ZINC000185424674 349344118 /nfs/dbraw/zinc/34/41/18/349344118.db2.gz RBQCVPSSLGNHGS-SNVBAGLBSA-N 0 0 236.267 2.103 50 0 BEAARN Cc1nc(/C=C/C(=O)Nc2ccncc2)cs1 ZINC000032726286 179872282 /nfs/dbraw/zinc/87/22/82/179872282.db2.gz HAMRIMZURSJBQL-NSCUHMNNSA-N 0 0 245.307 2.498 50 0 BEAARN Cc1nc(C)c(C)c(N[C@H](C)c2cnn(C)c2)n1 ZINC000095355362 179909442 /nfs/dbraw/zinc/90/94/42/179909442.db2.gz NGKBIPXIJDGXIQ-SNVBAGLBSA-N 0 0 245.330 2.308 50 0 BEAARN CC(C)(NC(=O)NCc1ccncc1)C1CC1 ZINC000072312630 191004999 /nfs/dbraw/zinc/00/49/99/191004999.db2.gz MOOWLAOSVSXNLE-UHFFFAOYSA-N 0 0 233.315 2.069 50 0 BEAARN O=C([O-])C1([NH2+]Cc2ccccn2)CCCCCC1 ZINC000041764657 350059255 /nfs/dbraw/zinc/05/92/55/350059255.db2.gz XIXFRWLCKSEGQY-UHFFFAOYSA-N 0 0 248.326 2.349 50 0 BEAARN FC(F)=C(F)CCSc1nc[nH]n1 ZINC000005771591 350104911 /nfs/dbraw/zinc/10/49/11/350104911.db2.gz HZBHPWHOQYUZHK-UHFFFAOYSA-N 0 0 209.196 2.365 50 0 BEAARN Cc1nc(NC(=O)NC(C)C)sc1C ZINC000005921733 180008979 /nfs/dbraw/zinc/00/89/79/180008979.db2.gz RCJWNGJUTSHJOI-UHFFFAOYSA-N 0 0 213.306 2.290 50 0 BEAARN Cc1nc(NC(=O)[C@H]2C[C@@H]2C)sc1C ZINC000013021330 180012069 /nfs/dbraw/zinc/01/20/69/180012069.db2.gz FIRYCVGSZAANRZ-XNCJUZBTSA-N 0 0 210.302 2.354 50 0 BEAARN Cc1nc(NC(=O)c2cccnc2)sc1C ZINC000000065349 180014005 /nfs/dbraw/zinc/01/40/05/180014005.db2.gz SCPPYANWVUMZMJ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ccc(C)c2c3c([nH]c21)C(=O)NCC3 ZINC000007518933 350095865 /nfs/dbraw/zinc/09/58/65/350095865.db2.gz SMQHOOKKKFXZGX-UHFFFAOYSA-N 0 0 214.268 2.071 50 0 BEAARN Cc1nc([C@@H](C)NC(=O)c2ccc[nH]2)cs1 ZINC000019939062 180034477 /nfs/dbraw/zinc/03/44/77/180034477.db2.gz NAIMGSUKAGEQNT-SSDOTTSWSA-N 0 0 235.312 2.271 50 0 BEAARN CC(C)C(=O)N[C@H](C)Cc1ccccc1 ZINC000012346310 350131040 /nfs/dbraw/zinc/13/10/40/350131040.db2.gz NCRGPXPYOYEXQT-LLVKDONJSA-N 0 0 205.301 2.390 50 0 BEAARN Cc1nc2ccc(Br)cn2c1C=O ZINC000002528902 180089272 /nfs/dbraw/zinc/08/92/72/180089272.db2.gz UVICLOBRWKMASM-UHFFFAOYSA-N 0 0 239.072 2.218 50 0 BEAARN Cc1nc2cncc(Br)c2o1 ZINC000079058143 180109175 /nfs/dbraw/zinc/10/91/75/180109175.db2.gz LACXEYMKTOJZHX-UHFFFAOYSA-N 0 0 213.034 2.294 50 0 BEAARN Cc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](C)N2 ZINC000095471672 180114095 /nfs/dbraw/zinc/11/40/95/180114095.db2.gz DJVKJKTUBCAKLX-SKDRFNHKSA-N 0 0 228.299 2.380 50 0 BEAARN Cc1nc2c(ncc(Br)c2C)[nH]1 ZINC000071257599 180114518 /nfs/dbraw/zinc/11/45/18/180114518.db2.gz LWFMUKDBYLABGX-UHFFFAOYSA-N 0 0 226.077 2.337 50 0 BEAARN Cc1nc2ccccc2n1[C@H]1CCC[C@@H]1O ZINC000037489908 180103423 /nfs/dbraw/zinc/10/34/23/180103423.db2.gz BMHILEJFLIAHKZ-STQMWFEESA-N 0 0 216.284 2.431 50 0 BEAARN Cc1nc2sc3c(c2c(=N)n1N)[C@@H](C)CCC3 ZINC000020100293 180117381 /nfs/dbraw/zinc/11/73/81/180117381.db2.gz AOALKGYSGFTUMV-LURJTMIESA-N 0 0 248.355 2.039 50 0 BEAARN Cc1nc2sccn2c1C(=O)C(F)(F)F ZINC000006025138 180118015 /nfs/dbraw/zinc/11/80/15/180118015.db2.gz JGXHHYIATBFMJM-UHFFFAOYSA-N 0 0 234.202 2.449 50 0 BEAARN CSCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000033028582 350218388 /nfs/dbraw/zinc/21/83/88/350218388.db2.gz AMQFZOPFHJQGLB-LPEHRKFASA-N 0 0 215.362 2.290 50 0 BEAARN Cc1nccc(NC[C@@]2(O)CCCC2(C)C)n1 ZINC000292644739 180201046 /nfs/dbraw/zinc/20/10/46/180201046.db2.gz BGHWJORJVAGMKC-ZDUSSCGKSA-N 0 0 235.331 2.138 50 0 BEAARN Cc1ncccc1OCc1noc(C(C)C)n1 ZINC000097082579 180227616 /nfs/dbraw/zinc/22/76/16/180227616.db2.gz ZRFCNMHEILQIJF-UHFFFAOYSA-N 0 0 233.271 2.475 50 0 BEAARN CC[C@@H](C)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033670387 350241962 /nfs/dbraw/zinc/24/19/62/350241962.db2.gz TUZSOGIKSSQALH-ONRRBMGISA-N 0 0 247.294 2.343 50 0 BEAARN Cc1nccn1CCCC(=O)N[C@@H]1CC=CCC1 ZINC000096412783 180232936 /nfs/dbraw/zinc/23/29/36/180232936.db2.gz BZJWYYOPZRADOH-CYBMUJFWSA-N 0 0 247.342 2.197 50 0 BEAARN Cc1ncn(Cc2nnc(C(C)C)o2)c1C ZINC000079090663 180289829 /nfs/dbraw/zinc/28/98/29/180289829.db2.gz URIXSAYNBZCRBU-UHFFFAOYSA-N 0 0 220.276 2.055 50 0 BEAARN CC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000000106316 350316889 /nfs/dbraw/zinc/31/68/89/350316889.db2.gz LTYUTWUXLFWPKX-UHFFFAOYSA-N 0 0 219.269 2.164 50 0 BEAARN CNC(=O)Cn1cc(/C=C/C2CCCCC2)cn1 ZINC000426538607 191095585 /nfs/dbraw/zinc/09/55/85/191095585.db2.gz QDRBCHVPZGESED-BQYQJAHWSA-N 0 0 247.342 2.223 50 0 BEAARN Cc1ncn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c1C ZINC000072282493 180286038 /nfs/dbraw/zinc/28/60/38/180286038.db2.gz BXFOJKMHALEUTP-PHIMTYICSA-N 0 0 249.358 2.289 50 0 BEAARN CC(C)(C)NC(=O)c1ccc(F)c(F)c1 ZINC000028210410 350341609 /nfs/dbraw/zinc/34/16/09/350341609.db2.gz YSUNDAWBDCFQNI-UHFFFAOYSA-N 0 0 213.227 2.493 50 0 BEAARN CCCCCNC(=O)Nc1cc(C)on1 ZINC000040474197 350367672 /nfs/dbraw/zinc/36/76/72/350367672.db2.gz UUIQOFXXDWVMAF-UHFFFAOYSA-N 0 0 211.265 2.295 50 0 BEAARN Cc1csc(CNC(=O)c2ccc(C)o2)n1 ZINC000040033907 350349498 /nfs/dbraw/zinc/34/94/98/350349498.db2.gz LXFIQMOOSBORBE-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN C[C@H](NC(=O)CCn1cccn1)c1cccs1 ZINC000040480935 350368303 /nfs/dbraw/zinc/36/83/03/350368303.db2.gz GFFHZJFKOUWDAR-JTQLQIEISA-N 0 0 249.339 2.212 50 0 BEAARN Cc1ncsc1C(=O)NOCc1ccccc1 ZINC000046575019 180305591 /nfs/dbraw/zinc/30/55/91/180305591.db2.gz VUPXSULCOGKCQH-UHFFFAOYSA-N 0 0 248.307 2.313 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCO1 ZINC000040458944 350365803 /nfs/dbraw/zinc/36/58/03/350365803.db2.gz FZUCBYZCMUUSHK-MRVPVSSYSA-N 0 0 245.200 2.221 50 0 BEAARN CN(C)P(=O)(Oc1ccccc1)N(C)C ZINC000000406279 350330922 /nfs/dbraw/zinc/33/09/22/350330922.db2.gz VEULIWWJVLYNEX-UHFFFAOYSA-N 0 0 228.232 2.297 50 0 BEAARN Cc1cc(Br)ccc1NC=O ZINC000000396372 350332581 /nfs/dbraw/zinc/33/25/81/350332581.db2.gz PAZWDPHHTCCPLD-UHFFFAOYSA-N 0 0 214.062 2.326 50 0 BEAARN CC[C@@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC000225748313 350372389 /nfs/dbraw/zinc/37/23/89/350372389.db2.gz IBBVYMDXNSABJB-SNVBAGLBSA-N 0 0 236.290 2.483 50 0 BEAARN Cc1nn(-c2ccccc2)c2ncncc12 ZINC000095643049 180331100 /nfs/dbraw/zinc/33/11/00/180331100.db2.gz BTTKVIVWBIPDIH-UHFFFAOYSA-N 0 0 210.240 2.124 50 0 BEAARN CC(C)c1nn2c(nnc2-c2ccncc2)s1 ZINC000012389687 350397736 /nfs/dbraw/zinc/39/77/36/350397736.db2.gz SWPQBJCYOGPJNF-UHFFFAOYSA-N 0 0 245.311 2.371 50 0 BEAARN Cc1nn(C)c(C)c1CNc1nnc(C(C)C)o1 ZINC000097045372 180342488 /nfs/dbraw/zinc/34/24/88/180342488.db2.gz IYHUSSSMGSYREV-UHFFFAOYSA-N 0 0 249.318 2.155 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)C[C@H]1C=CCC1 ZINC000022838069 180343292 /nfs/dbraw/zinc/34/32/92/180343292.db2.gz WIHHPKIOTPFELZ-NSHDSACASA-N 0 0 233.315 2.332 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)c1ccccc1F ZINC000012983366 180343306 /nfs/dbraw/zinc/34/33/06/180343306.db2.gz MKFFPBKCLOMTSE-UHFFFAOYSA-N 0 0 247.273 2.428 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)c1cccs1 ZINC000027927084 180343987 /nfs/dbraw/zinc/34/39/87/180343987.db2.gz ZGVMOKUMFXPVLJ-UHFFFAOYSA-N 0 0 235.312 2.351 50 0 BEAARN Cc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 ZINC000066091456 180362013 /nfs/dbraw/zinc/36/20/13/180362013.db2.gz CKTZTEOQYZLGDU-MRVPVSSYSA-N 0 0 247.323 2.264 50 0 BEAARN Cc1nn(C)cc1C=C1SC(=S)NC1=O ZINC000001018013 180364615 /nfs/dbraw/zinc/36/46/15/180364615.db2.gz ULVTXBTWQJOCEQ-XVNBXDOJSA-N 0 0 239.325 2.058 50 0 BEAARN CCCCCC[C@@H](CC)C(=O)NC(N)=O ZINC000033648933 350458213 /nfs/dbraw/zinc/45/82/13/350458213.db2.gz VPGXYEFAHZVFMC-SECBINFHSA-N 0 0 214.309 2.178 50 0 BEAARN Cc1nn(CCC(N)=O)c(C)c1/C=C/C(C)(C)C ZINC000096137586 180388323 /nfs/dbraw/zinc/38/83/23/180388323.db2.gz KZYWLMLUGCNPLK-SOFGYWHQSA-N 0 0 249.358 2.435 50 0 BEAARN CC1(C)CCN1C(=O)c1cccc2c1OCCO2 ZINC000089919483 362965710 /nfs/dbraw/zinc/96/57/10/362965710.db2.gz HVTCBAGRYQZDPX-UHFFFAOYSA-N 0 0 247.294 2.082 50 0 BEAARN CC(=O)c1cnc(-c2ccncc2)nc1C ZINC000054962413 490609504 /nfs/dbraw/zinc/60/95/04/490609504.db2.gz ASTJBFCPBMEAKD-UHFFFAOYSA-N 0 0 213.240 2.050 50 0 BEAARN Cc1csc(COC(=O)c2ccccn2)n1 ZINC000076093138 362971029 /nfs/dbraw/zinc/97/10/29/362971029.db2.gz RCIDRGARGITLSD-UHFFFAOYSA-N 0 0 234.280 2.204 50 0 BEAARN Cc1nnc2[nH]c(-c3ccc(Cl)cc3)nn12 ZINC000032176288 180447714 /nfs/dbraw/zinc/44/77/14/180447714.db2.gz FSEQRGLAKVNUOD-UHFFFAOYSA-N 0 0 233.662 2.081 50 0 BEAARN Cc1nnc2c3c4c(sc3nc(C)n12)CCC4 ZINC000000081183 180448352 /nfs/dbraw/zinc/44/83/52/180448352.db2.gz OPLYPJGTYHWPJW-UHFFFAOYSA-N 0 0 244.323 2.445 50 0 BEAARN CCOc1cccc(NC(=O)c2ccco2)n1 ZINC000076093570 362970841 /nfs/dbraw/zinc/97/08/41/362970841.db2.gz WKMNPXNUDAKRFR-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN Cc1noc(-c2cccnc2NCC2CC2)n1 ZINC000084286836 180460690 /nfs/dbraw/zinc/46/06/90/180460690.db2.gz POPKYQXIXLMFDO-UHFFFAOYSA-N 0 0 230.271 2.262 50 0 BEAARN Cc1noc(C(Cl)(Cl)Cl)n1 ZINC000002003744 180462104 /nfs/dbraw/zinc/46/21/04/180462104.db2.gz ZHFWJCUKKDMFIV-UHFFFAOYSA-N 0 0 201.440 2.205 50 0 BEAARN O=C1NC(=O)C(=CC=Cc2ccco2)S1 ZINC000005477699 191121633 /nfs/dbraw/zinc/12/16/33/191121633.db2.gz XKFYQGRJEQOFAV-ZWGQKFFPSA-N 0 0 221.237 2.160 50 0 BEAARN Cc1nsc(N[C@@H]2CC[C@H](F)C2)n1 ZINC000307464954 180523100 /nfs/dbraw/zinc/52/31/00/180523100.db2.gz CTNBWJLKQDAINK-NKWVEPMBSA-N 0 0 201.270 2.149 50 0 BEAARN Cc1oc(-c2ccccc2)cc1C(N)=O ZINC000000229619 180526769 /nfs/dbraw/zinc/52/67/69/180526769.db2.gz ADGOHRSLARPRIA-UHFFFAOYSA-N 0 0 201.225 2.354 50 0 BEAARN Cn1ccc(C(=O)Nc2cccc(Cl)c2)n1 ZINC000000996436 350973615 /nfs/dbraw/zinc/97/36/15/350973615.db2.gz KZMQIIJZTGNUGO-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN CCOc1cc(OC)cnc1Br ZINC000001020112 350986253 /nfs/dbraw/zinc/98/62/53/350986253.db2.gz BTUQSJSJDWNLNL-UHFFFAOYSA-N 0 0 232.077 2.251 50 0 BEAARN Cc1occc1S[C@@H]1CCCCNC1=O ZINC000131439627 180544936 /nfs/dbraw/zinc/54/49/36/180544936.db2.gz XUHMABKOWZVLPM-SNVBAGLBSA-N 0 0 225.313 2.349 50 0 BEAARN Cc1cccc(NC=C2C[C@H](C)OC2=O)n1 ZINC000211081465 351044380 /nfs/dbraw/zinc/04/43/80/351044380.db2.gz MONSXXXKUNCVOP-HZAKCSEPSA-N 0 0 218.256 2.021 50 0 BEAARN Cc1sc2ncn(-n3cccc3)c(=O)c2c1C ZINC000000091726 180559397 /nfs/dbraw/zinc/55/93/97/180559397.db2.gz DTTJPBHXISRDDR-UHFFFAOYSA-N 0 0 245.307 2.188 50 0 BEAARN Cc1ccc(CN(C)[C@H]2C[C@H](C)OC2=O)cc1 ZINC000040023626 351291142 /nfs/dbraw/zinc/29/11/42/351291142.db2.gz JGXXCINWJJLPKY-AAEUAGOBSA-N 0 0 233.311 2.131 50 0 BEAARN CC[C@@H](COC)N[C@H](c1nc(C)no1)C(C)C ZINC000168066934 351278267 /nfs/dbraw/zinc/27/82/67/351278267.db2.gz ZYKBHYVKGYWELB-QWRGUYRKSA-N 0 0 241.335 2.090 50 0 BEAARN CC(C)(C[NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000037934928 351376558 /nfs/dbraw/zinc/37/65/58/351376558.db2.gz AMWZSDZISQPFKF-UHFFFAOYSA-N 0 0 229.327 2.477 50 0 BEAARN Clc1ncc2cc(Br)cnc2n1 ZINC000095707429 180601460 /nfs/dbraw/zinc/60/14/60/180601460.db2.gz WEYJDKGLVMTHCW-UHFFFAOYSA-N 0 0 244.479 2.441 50 0 BEAARN Clc1c[nH]cc2c(Br)nnc1-2 ZINC000095099743 180600437 /nfs/dbraw/zinc/60/04/37/180600437.db2.gz NYUIQNIHXGGJDK-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Clc1cccnc1I ZINC000014982408 180596111 /nfs/dbraw/zinc/59/61/11/180596111.db2.gz LTCHVAFYGVXKHH-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN CC(C)(C)c1cnc(COCc2ncc[nH]2)o1 ZINC000096494655 191142309 /nfs/dbraw/zinc/14/23/09/191142309.db2.gz WFYZRIDGHLQIDJ-UHFFFAOYSA-N 0 0 235.287 2.412 50 0 BEAARN Cn1cc(NCc2cc(F)ccc2F)cn1 ZINC000020354239 180661030 /nfs/dbraw/zinc/66/10/30/180661030.db2.gz BMLYIANOBUSENY-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN CC(=O)OCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000077072 187582354 /nfs/dbraw/zinc/58/23/54/187582354.db2.gz QWIXQIPYBXOMTG-UHFFFAOYSA-N 0 0 246.184 2.451 50 0 BEAARN CCC(=O)NC(=S)Nc1ccc(F)cc1 ZINC000000341986 187583343 /nfs/dbraw/zinc/58/33/43/187583343.db2.gz CCGBWPBDWCWHOS-UHFFFAOYSA-N 0 0 226.276 2.049 50 0 BEAARN CC(=O)c1cnc(-c2ccccn2)s1 ZINC000004050777 187585787 /nfs/dbraw/zinc/58/57/87/187585787.db2.gz UCSRGSZNLJYPSP-UHFFFAOYSA-N 0 0 204.254 2.408 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)OCc1nc2ccccc2[nH]1 ZINC000042369211 187603224 /nfs/dbraw/zinc/60/32/24/187603224.db2.gz RJLWBZXNVWPMOW-BDAKNGLRSA-N 0 0 230.267 2.262 50 0 BEAARN CCCn1ccnc(NC2CCCC2)c1=O ZINC000061762012 187613055 /nfs/dbraw/zinc/61/30/55/187613055.db2.gz BJTVBUUESRNUGG-UHFFFAOYSA-N 0 0 221.304 2.008 50 0 BEAARN Cc1ccc(NC(=O)COC(=O)C2CC2)c(C)c1 ZINC000003392903 352171728 /nfs/dbraw/zinc/17/17/28/352171728.db2.gz CRQSOFMNCRBRHZ-UHFFFAOYSA-N 0 0 247.294 2.195 50 0 BEAARN Cc1cc(NC(=O)NCc2ccc(C)nc2)no1 ZINC000044970481 187606109 /nfs/dbraw/zinc/60/61/09/187606109.db2.gz TZEJEPAGRXJLMT-UHFFFAOYSA-N 0 0 246.270 2.008 50 0 BEAARN CC(=O)Cc1nc2ccccc2[nH]c1=O ZINC000101882741 187630877 /nfs/dbraw/zinc/63/08/77/187630877.db2.gz SJCDLTSFZSEESI-SREVYHEPSA-N 0 0 202.213 2.254 50 0 BEAARN CSc1ccc(-c2nnc(NC(C)=O)o2)cc1 ZINC000004585606 187638908 /nfs/dbraw/zinc/63/89/08/187638908.db2.gz WMAJKURIYWZTOX-UHFFFAOYSA-N 0 0 249.295 2.417 50 0 BEAARN Cn1ccc(NC(=O)Cc2ccccc2Cl)n1 ZINC000012870269 180710142 /nfs/dbraw/zinc/71/01/42/180710142.db2.gz LDAUNNLIMQMUAK-UHFFFAOYSA-N 0 0 249.701 2.255 50 0 BEAARN Cn1ccc(NC(=O)c2ccccc2Cl)n1 ZINC000002795526 180711794 /nfs/dbraw/zinc/71/17/94/180711794.db2.gz GIJRQSCZJBVAAI-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN Cc1[nH]ccc1C(=O)N[C@H](C)C(C)(F)F ZINC000334686314 352364440 /nfs/dbraw/zinc/36/44/40/352364440.db2.gz QSSDNRCUHKGZTK-SSDOTTSWSA-N 0 0 216.231 2.097 50 0 BEAARN Cc1cc(CN(C)C(=O)Nc2cccnc2)no1 ZINC000044914597 352494359 /nfs/dbraw/zinc/49/43/59/352494359.db2.gz BHHDWKBHFIAESI-UHFFFAOYSA-N 0 0 246.270 2.042 50 0 BEAARN CC(C)CNC(=O)c1cc(Br)c[nH]1 ZINC000004038480 352522767 /nfs/dbraw/zinc/52/27/67/352522767.db2.gz YBRXIUBULMRPMU-UHFFFAOYSA-N 0 0 245.120 2.163 50 0 BEAARN O=Cc1ccc(-c2noc(C3CCC3)n2)o1 ZINC000725273457 538105127 /nfs/dbraw/zinc/10/51/27/538105127.db2.gz DSMXNBSMRXKULZ-UHFFFAOYSA-N 0 0 218.212 2.410 50 0 BEAARN Cc1ccsc1C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000045445915 352767304 /nfs/dbraw/zinc/76/73/04/352767304.db2.gz MZHBLKBTMIASOU-VHSXEESVSA-N 0 0 239.340 2.306 50 0 BEAARN Cn1cnnc1Sc1ccc(N)cc1Cl ZINC000019845624 180798188 /nfs/dbraw/zinc/79/81/88/180798188.db2.gz CZSCDROOJNZEQA-UHFFFAOYSA-N 0 0 240.719 2.202 50 0 BEAARN CC(=O)O[C@@H]1C[C@@]2(CC=CCC2)CC[C@H]1O ZINC000257356689 187912208 /nfs/dbraw/zinc/91/22/08/187912208.db2.gz JQNRLSUGPVPVAO-JHJVBQTASA-N 0 0 224.300 2.189 50 0 BEAARN CC(C)(C)[Si](C)(C)c1occc1CO ZINC000169836991 187904330 /nfs/dbraw/zinc/90/43/30/187904330.db2.gz LEVDODXORUULNB-UHFFFAOYSA-N 0 0 212.365 2.487 50 0 BEAARN Cc1cccc(NC(=O)c2cnccn2)c1C ZINC000000068307 187923774 /nfs/dbraw/zinc/92/37/74/187923774.db2.gz ONQJXYOKWJITMO-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN CC(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000000341219 187924527 /nfs/dbraw/zinc/92/45/27/187924527.db2.gz RYSGOAPHCXQSDW-UHFFFAOYSA-N 0 0 207.229 2.010 50 0 BEAARN Cc1cccc(CS(=O)(=O)NCC(C)C)c1 ZINC000016577544 187933432 /nfs/dbraw/zinc/93/34/32/187933432.db2.gz FUERPODBELRISG-UHFFFAOYSA-N 0 0 241.356 2.070 50 0 BEAARN Cn1ncc2cccc(Br)c21 ZINC000021982170 180829038 /nfs/dbraw/zinc/82/90/38/180829038.db2.gz JPFIGGYULRKROG-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN O=C(NC(C1CC1)C1CC1)c1ccncc1 ZINC000030800392 187938161 /nfs/dbraw/zinc/93/81/61/187938161.db2.gz VMHPJQWNIQDKND-UHFFFAOYSA-N 0 0 216.284 2.000 50 0 BEAARN COc1cc(Br)c(OC)cc1O ZINC000032099190 187938355 /nfs/dbraw/zinc/93/83/55/187938355.db2.gz TWVRLQJDDKMDIU-UHFFFAOYSA-N 0 0 233.061 2.172 50 0 BEAARN COc1cccc(Br)c1C=O ZINC000032224117 187938464 /nfs/dbraw/zinc/93/84/64/187938464.db2.gz RQLOLSOZFHENIV-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN CCN(C)C(=O)NC[C@H](C)c1ccccc1 ZINC000084760753 187971116 /nfs/dbraw/zinc/97/11/16/187971116.db2.gz HIKYUUBRPSUYLS-NSHDSACASA-N 0 0 220.316 2.451 50 0 BEAARN Brc1nccc2cccnc21 ZINC000075252869 187962037 /nfs/dbraw/zinc/96/20/37/187962037.db2.gz ZMRBFCVWSDKLLT-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN CC(=O)NCCCSCC1CCCC1 ZINC000095988313 187974906 /nfs/dbraw/zinc/97/49/06/187974906.db2.gz BEBLRMWXVNHDNW-UHFFFAOYSA-N 0 0 215.362 2.436 50 0 BEAARN C/C=C/C=C/C(=O)Nc1nc(C)ccc1OC ZINC000095963060 187974931 /nfs/dbraw/zinc/97/49/31/187974931.db2.gz SAGXVRSWSDGOLA-YTXTXJHMSA-N 0 0 232.283 2.469 50 0 BEAARN Cc1ccc(Nc2ncnc3n[nH]cc32)cc1 ZINC000001248426 353108138 /nfs/dbraw/zinc/10/81/38/353108138.db2.gz TZIUGCYEFCFJRQ-UHFFFAOYSA-N 0 0 225.255 2.405 50 0 BEAARN CC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000041423009 187977963 /nfs/dbraw/zinc/97/79/63/187977963.db2.gz POOHNYKBHFZBAO-ZANVPECISA-N 0 0 237.274 2.134 50 0 BEAARN CC(=O)NC1c2cccc(C)c2N(C)C1=O ZINC000225507987 188010201 /nfs/dbraw/zinc/01/02/01/188010201.db2.gz RULAOPWDUNLBDN-UHFFFAOYSA-N 0 0 218.256 2.151 50 0 BEAARN CC(=O)NC[C@H](O)c1csc2ccccc21 ZINC000225691243 188010462 /nfs/dbraw/zinc/01/04/62/188010462.db2.gz BUVVNALSUSXCBC-NSHDSACASA-N 0 0 235.308 2.071 50 0 BEAARN C/C=C/C[S@](=O)Cc1nc(C)c(C)o1 ZINC000097370543 188018340 /nfs/dbraw/zinc/01/83/40/188018340.db2.gz TXYLNHYWHKNEQF-ISZGNANSSA-N 0 0 213.302 2.116 50 0 BEAARN CCCC1(CNC(=O)C[C@@H]2CCOC2)CCC1 ZINC000344520929 353149562 /nfs/dbraw/zinc/14/95/62/353149562.db2.gz QVTSNKQVPVUFNV-LBPRGKRZSA-N 0 0 239.359 2.500 50 0 BEAARN FC(F)c1nnc(N2CCCCC2)s1 ZINC000089819169 180911783 /nfs/dbraw/zinc/91/17/83/180911783.db2.gz LKVJLZRQOUZNLB-UHFFFAOYSA-N 0 0 219.260 2.466 50 0 BEAARN CC(=O)Oc1cn(C(C)=O)c2ccccc12 ZINC000000057379 188253728 /nfs/dbraw/zinc/25/37/28/188253728.db2.gz DNVFBLDIZKYQPL-UHFFFAOYSA-N 0 0 217.224 2.227 50 0 in-vitro BEAARN CC(C)=CC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000240002272 188258801 /nfs/dbraw/zinc/25/88/01/188258801.db2.gz PQWZGFLDDWNUFW-CYBMUJFWSA-N 0 0 246.310 2.028 50 0 BEAARN CC1(C)CCN(c2ncc(Cl)cn2)C1 ZINC000267046746 188260830 /nfs/dbraw/zinc/26/08/30/188260830.db2.gz DOJDLWBNHFHYGZ-UHFFFAOYSA-N 0 0 211.696 2.366 50 0 BEAARN O=c1[nH]c([C@@H]2CCCS2)nc2ccccc21 ZINC000084585316 538114682 /nfs/dbraw/zinc/11/46/82/538114682.db2.gz PNQIIYCIGUJMEB-JTQLQIEISA-N 0 0 232.308 2.491 50 0 BEAARN CC(=O)COc1ccc(-c2csnn2)cc1 ZINC000000106930 188272460 /nfs/dbraw/zinc/27/24/60/188272460.db2.gz WAPFJGAFMWJWBJ-UHFFFAOYSA-N 0 0 234.280 2.173 50 0 BEAARN CSc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000000236437 188272710 /nfs/dbraw/zinc/27/27/10/188272710.db2.gz SARWGURAPCRUQT-UHFFFAOYSA-N 0 0 237.368 2.365 50 0 BEAARN CC(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000000804561 188272973 /nfs/dbraw/zinc/27/29/73/188272973.db2.gz JKCKIMJFFGXHTG-GFCCVEGCSA-N 0 0 233.267 2.007 50 0 BEAARN Cn1cnc2cc(NC(=O)c3ccco3)ccc21 ZINC000000350231 188273130 /nfs/dbraw/zinc/27/31/30/188273130.db2.gz UJAJYTIVTFPUIU-UHFFFAOYSA-N 0 0 241.250 2.419 50 0 BEAARN CC(C)[C@@H]1Cc2c(sc3ncnc(N)c23)CO1 ZINC000000554560 188273507 /nfs/dbraw/zinc/27/35/07/188273507.db2.gz RAKUADSVVIGOAT-QMMMGPOBSA-N 0 0 249.339 2.371 50 0 BEAARN CC(=O)OC/C(C)=C/C[C@@H](C)COC(C)=O ZINC000001631202 188273898 /nfs/dbraw/zinc/27/38/98/188273898.db2.gz WJQFKEKGHLXYOP-NAZIUFLLSA-N 0 0 228.288 2.085 50 0 BEAARN COCc1cc2cccc3c2n(c1=O)CCC3 ZINC000001741299 188274438 /nfs/dbraw/zinc/27/44/38/188274438.db2.gz JXZYUAVARQKHCO-UHFFFAOYSA-N 0 0 229.279 2.094 50 0 BEAARN CCc1ccc(OCC2N=NC(=S)N2C)cc1 ZINC000002571066 188274649 /nfs/dbraw/zinc/27/46/49/188274649.db2.gz YHIVGGHVQQBYNR-UHFFFAOYSA-N 0 0 249.339 2.245 50 0 BEAARN COc1ccccc1NC(=O)NN1CCCCC1 ZINC000002654193 188274974 /nfs/dbraw/zinc/27/49/74/188274974.db2.gz GRRVPCGBRMCCFK-UHFFFAOYSA-N 0 0 249.314 2.218 50 0 BEAARN C[C@H]1CC(=O)CCN1C(=O)OCc1ccccc1 ZINC000002553960 188275155 /nfs/dbraw/zinc/27/51/55/188275155.db2.gz NKUKIRSAMUEXPP-NSHDSACASA-N 0 0 247.294 2.377 50 0 BEAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000003270844 188275744 /nfs/dbraw/zinc/27/57/44/188275744.db2.gz JKYLQCKSQSXCHN-AWEZNQCLSA-N 0 0 246.310 2.039 50 0 BEAARN CC(=O)N[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000004998387 188276205 /nfs/dbraw/zinc/27/62/05/188276205.db2.gz MEPTUVQTRWEOTI-SECBINFHSA-N 0 0 245.282 2.242 50 0 BEAARN Brc1nccnc1Br ZINC000004557339 188276873 /nfs/dbraw/zinc/27/68/73/188276873.db2.gz VLPBEKHOQWMYTR-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OC(C)C ZINC000004491444 188277025 /nfs/dbraw/zinc/27/70/25/188277025.db2.gz VVAUQGBBTUEOEI-UKTHLTGXSA-N 0 0 247.294 2.115 50 0 biogenic BEAARN Cc1cc(Cl)ccc1NCC(=O)NC1CC1 ZINC000009995554 188278961 /nfs/dbraw/zinc/27/89/61/188278961.db2.gz CYPXXMLBPVGLMV-UHFFFAOYSA-N 0 0 238.718 2.339 50 0 BEAARN CC(C)(C)c1ccc(C(=O)NCCCO)cc1 ZINC000012019935 188279294 /nfs/dbraw/zinc/27/92/94/188279294.db2.gz WJRFDIXCWYYYDI-UHFFFAOYSA-N 0 0 235.327 2.096 50 0 BEAARN CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000012409967 188279543 /nfs/dbraw/zinc/27/95/43/188279543.db2.gz HBMWQILXZYMGKB-UHFFFAOYSA-N 0 0 232.258 2.212 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@H](CCO)C1 ZINC000012648965 188279861 /nfs/dbraw/zinc/27/98/61/188279861.db2.gz DXABICKZWDHPIP-JTQLQIEISA-N 0 0 229.320 2.016 50 0 BEAARN S=C1N=NC(NCc2ccco2)S1 ZINC000013796895 188280228 /nfs/dbraw/zinc/28/02/28/188280228.db2.gz XEYQHDFSWLWGDC-UHFFFAOYSA-N 0 0 213.287 2.032 50 0 BEAARN Cc1cccc(NC(=O)c2ccc[nH]c2=O)c1C ZINC000024813677 188282706 /nfs/dbraw/zinc/28/27/06/188282706.db2.gz BPBVNUFKHSEWKG-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 BEAARN C[C@H]1CC(C)(C)n2c(=O)c(=O)oc3cccc1c32 ZINC000022607236 188283424 /nfs/dbraw/zinc/28/34/24/188283424.db2.gz UIUDXVUSSXRFIE-QMMMGPOBSA-N 0 0 245.278 2.197 50 0 biogenic BEAARN CC(C)CNC(=O)NCc1ccccc1F ZINC000032862710 188284259 /nfs/dbraw/zinc/28/42/59/188284259.db2.gz XGLFNCRWIIHOMY-UHFFFAOYSA-N 0 0 224.279 2.281 50 0 BEAARN CC(=O)Nc1ccc(/C=C(\C)[N+](=O)[O-])cc1 ZINC000071769221 188288222 /nfs/dbraw/zinc/28/82/22/188288222.db2.gz HLJNUAALUOPPOK-BQYQJAHWSA-N 0 0 220.228 2.283 50 0 BEAARN Cc1ccc(OCCN(C)C(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000040001078 188292290 /nfs/dbraw/zinc/29/22/90/188292290.db2.gz NIIFKDHUSNQLMD-GXTWGEPZSA-N 0 0 247.338 2.488 50 0 BEAARN CC(C)=CC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000080892087 188292828 /nfs/dbraw/zinc/29/28/28/188292828.db2.gz MOFQEVQZLJVOIB-GFCCVEGCSA-N 0 0 239.340 2.038 50 0 BEAARN CC(C)CO[C@H](C)C(=O)Nc1ccccn1 ZINC000042395944 188293333 /nfs/dbraw/zinc/29/33/33/188293333.db2.gz CPLHNOOCTAUOEZ-SNVBAGLBSA-N 0 0 222.288 2.081 50 0 BEAARN Cc1ccc(CNC(=O)Nc2nccs2)cn1 ZINC000046872088 188298076 /nfs/dbraw/zinc/29/80/76/188298076.db2.gz PQUXIJYVSXBMBK-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN CC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000049227235 188298958 /nfs/dbraw/zinc/29/89/58/188298958.db2.gz RHWTXNOJWHGITQ-SNVBAGLBSA-N 0 0 246.310 2.011 50 0 BEAARN C/C=C\C[C@H]1CC(=O)C[C@H]1CC(=O)OC ZINC000063772262 188304232 /nfs/dbraw/zinc/30/42/32/188304232.db2.gz JYZHNYACTQVZBM-CMIOBCHKSA-N 0 0 210.273 2.111 50 0 BEAARN CC(=O)N[C@@H](C)c1ccc(-c2cc[nH]n2)cc1 ZINC000067847268 188304565 /nfs/dbraw/zinc/30/45/65/188304565.db2.gz WQUTYLYHBJRZQA-VIFPVBQESA-N 0 0 229.283 2.274 50 0 BEAARN CCC/C=C/c1cc(N)nc(N2CCCC2)n1 ZINC000067587848 188304603 /nfs/dbraw/zinc/30/46/03/188304603.db2.gz GPTRPMUYKIIESE-QPJJXVBHSA-N 0 0 232.331 2.472 50 0 BEAARN Cc1ccc(Br)cc1C(=O)N(C)C ZINC000083688952 188316640 /nfs/dbraw/zinc/31/66/40/188316640.db2.gz DVORDWPCULHVLF-UHFFFAOYSA-N 0 0 242.116 2.459 50 0 BEAARN Nc1cc(-c2ccc3ncccc3c2)on1 ZINC000085278460 188316759 /nfs/dbraw/zinc/31/67/59/188316759.db2.gz VBWQKYAHESPYSU-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN CC(C)C[C@]1(C)CC(=O)N(CC2CC2)C1=O ZINC000084510040 188317237 /nfs/dbraw/zinc/31/72/37/188317237.db2.gz AMNFZYFLVQVRFP-CYBMUJFWSA-N 0 0 223.316 2.208 50 0 BEAARN CCNc1ncc(Br)c(C)c1N ZINC000095494847 188320327 /nfs/dbraw/zinc/32/03/27/188320327.db2.gz NAWJKEGDYTYRTG-UHFFFAOYSA-N 0 0 230.109 2.167 50 0 BEAARN O=C1NC(=O)C(=Cc2cccc(F)c2)S1 ZINC000012407294 188340380 /nfs/dbraw/zinc/34/03/80/188340380.db2.gz FHRKKLBIQCOIMF-YVMONPNESA-N 0 0 223.228 2.150 50 0 BEAARN C/C=C/C(=O)O[C@H](C)COCCCC ZINC000003122398 188335552 /nfs/dbraw/zinc/33/55/52/188335552.db2.gz NTFWVBVBSKLUNH-BREXMAIKSA-N 0 0 200.278 2.311 50 0 BEAARN Cc1ccnc(NC(=O)c2cccs2)n1 ZINC000028227614 188356425 /nfs/dbraw/zinc/35/64/25/188356425.db2.gz SLVNVEBATPAMNT-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN C/C(=C\c1cncs1)c1cnccn1 ZINC000221886073 188357113 /nfs/dbraw/zinc/35/71/13/188357113.db2.gz NQIAGUVXFNBSFJ-XBXARRHUSA-N 0 0 203.270 2.494 50 0 BEAARN CCNc1ncc(C(=O)N2CCCCC2)s1 ZINC000095429463 188363569 /nfs/dbraw/zinc/36/35/69/188363569.db2.gz IRGIHEBWQVNLTE-UHFFFAOYSA-N 0 0 239.344 2.201 50 0 BEAARN CC1(C)OC[C@H](COC(=O)c2cccs2)O1 ZINC000096447646 188365327 /nfs/dbraw/zinc/36/53/27/188365327.db2.gz PRTUXTMPXVNVPL-QMMMGPOBSA-N 0 0 242.296 2.056 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000242522445 188370107 /nfs/dbraw/zinc/37/01/07/188370107.db2.gz ISZLPPFTZXTGHT-GARJFASQSA-N 0 0 241.331 2.014 50 0 BEAARN CC[C@@H](C)N(C(=O)c1ccnn1C)[C@H](C)CC ZINC000002781808 353478067 /nfs/dbraw/zinc/47/80/67/353478067.db2.gz YLOKKMBWEWNVMM-GHMZBOCLSA-N 0 0 237.347 2.459 50 0 BEAARN CNc1ncnnc1-c1ccc(Cl)cc1 ZINC000001417651 353551782 /nfs/dbraw/zinc/55/17/82/353551782.db2.gz SATNQTRBIPILJV-UHFFFAOYSA-N 0 0 220.663 2.234 50 0 BEAARN Cc1c[nH+]c(C)c(Br)c1N ZINC000096029318 353640908 /nfs/dbraw/zinc/64/09/08/353640908.db2.gz LKGXJWUAMZCZKD-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN CCOC[C@H](C)OC(=O)c1cccs1 ZINC000190768876 353712610 /nfs/dbraw/zinc/71/26/10/353712610.db2.gz UENVUSVYJCWKOT-QMMMGPOBSA-N 0 0 214.286 2.330 50 0 BEAARN Cc1ccc(F)c(NC(=O)c2ccnn2C)c1 ZINC000001430097 353742752 /nfs/dbraw/zinc/74/27/52/353742752.db2.gz WFNPKQYEKKBWOL-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Fc1cnc2[nH]cc(Br)c2c1 ZINC000044700111 181019660 /nfs/dbraw/zinc/01/96/60/181019660.db2.gz CRDINLYNEISYHP-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Ic1cnc2[nH]ccc2c1 ZINC000006643321 181021914 /nfs/dbraw/zinc/02/19/14/181021914.db2.gz CYMDPTJBUBTWEY-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN Cc1c[nH]cc1C(=O)N[C@H](C)C(C)(F)F ZINC000334687220 354433656 /nfs/dbraw/zinc/43/36/56/354433656.db2.gz SRWZEWMZFCDDNQ-SSDOTTSWSA-N 0 0 216.231 2.097 50 0 BEAARN C[C@H](F)CCNC(=O)N1CCCC[C@H]1C ZINC000334678827 354424023 /nfs/dbraw/zinc/42/40/23/354424023.db2.gz HYADTCHCKUEXKM-VHSXEESVSA-N 0 0 216.300 2.319 50 0 BEAARN Cc1o[nH]c(=NC(=O)c2ccoc2C2CC2)c1C ZINC000334659824 354456560 /nfs/dbraw/zinc/45/65/60/354456560.db2.gz GMJFCLRFNNBRAC-UHFFFAOYSA-N 0 0 246.266 2.436 50 0 BEAARN C[C@@H](NC(=O)c1ccoc1)c1cccnc1 ZINC000032873743 354555542 /nfs/dbraw/zinc/55/55/42/354555542.db2.gz XZUUUVUAWWCDHN-SECBINFHSA-N 0 0 216.240 2.166 50 0 BEAARN CC(C)CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000033019052 354595074 /nfs/dbraw/zinc/59/50/74/354595074.db2.gz ONXLUFBXQPCDMI-PHIMTYICSA-N 0 0 213.321 2.058 50 0 BEAARN O=C(NCC1CC1)c1ccc2ccccc2n1 ZINC000032906068 354596410 /nfs/dbraw/zinc/59/64/10/354596410.db2.gz MNZOECPFMQDAQN-UHFFFAOYSA-N 0 0 226.279 2.375 50 0 BEAARN CCOc1ccc2[nH]c(C)cc(=O)c2c1 ZINC000008584350 363440582 /nfs/dbraw/zinc/44/05/82/363440582.db2.gz XRQJZFPDCHMABR-UHFFFAOYSA-N 0 0 203.241 2.235 50 0 aggregator BEAARN O=c1cnccn1CC1CCC(F)(F)CC1 ZINC000335287454 355256927 /nfs/dbraw/zinc/25/69/27/355256927.db2.gz FEHMAEBSYNQDRJ-UHFFFAOYSA-N 0 0 228.242 2.069 50 0 BEAARN NN=c1[nH]c(-c2ccc(Cl)cc2)cs1 ZINC000018037293 181185700 /nfs/dbraw/zinc/18/57/00/181185700.db2.gz SUXRTSWWXJPDLW-UHFFFAOYSA-N 0 0 225.704 2.171 50 0 BEAARN Cc1ccncc1C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000335833067 355561105 /nfs/dbraw/zinc/56/11/05/355561105.db2.gz OIUWMLOWMKOFPM-VHSXEESVSA-N 0 0 222.263 2.010 50 0 BEAARN Cc1ncsc1NC(=O)CC(F)(F)F ZINC000335861483 355624412 /nfs/dbraw/zinc/62/44/12/355624412.db2.gz MVDOWWZPPUGKIH-UHFFFAOYSA-N 0 0 224.207 2.342 50 0 BEAARN N=C1N=C2C=CC=CN2Cc2ccccc21 ZINC000003885442 181206666 /nfs/dbraw/zinc/20/66/66/181206666.db2.gz ZPDCPCGOMKZJCQ-UHFFFAOYSA-N 0 0 209.252 2.310 50 0 BEAARN NC1=NC(=O)SC1=Cc1ccccc1O ZINC000020566918 181207615 /nfs/dbraw/zinc/20/76/15/181207615.db2.gz GZOVQDFTNKAIOM-YVMONPNESA-N 0 0 220.253 2.167 50 0 BEAARN O=C1NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1 ZINC000001453006 355763658 /nfs/dbraw/zinc/76/36/58/355763658.db2.gz TYLZVLVSYYQUKZ-MRVPVSSYSA-N 0 0 241.699 2.234 50 0 BEAARN Cc1ccc(CNC(=O)CC(C)(C)C)cn1 ZINC000047557035 355766698 /nfs/dbraw/zinc/76/66/98/355766698.db2.gz RZJNYPRRCXJXKH-UHFFFAOYSA-N 0 0 220.316 2.442 50 0 BEAARN COC(=O)[C@H](C)Oc1c(C)cccc1C ZINC000001460022 355770003 /nfs/dbraw/zinc/77/00/03/355770003.db2.gz VXICFPBHOUXFRD-JTQLQIEISA-N 0 0 208.257 2.244 50 0 BEAARN Cc1occc(=O)c1OC(=O)c1cccs1 ZINC000001463173 355779295 /nfs/dbraw/zinc/77/92/95/355779295.db2.gz RKPGZAYUYSIQDR-UHFFFAOYSA-N 0 0 236.248 2.229 50 0 BEAARN CC[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000001480333 355857522 /nfs/dbraw/zinc/85/75/22/355857522.db2.gz BRLNPWGINYASHE-GFCCVEGCSA-N 0 0 203.285 2.459 50 0 BEAARN Cc1ccc(NC(=O)NC[C@H](C)O)cc1Cl ZINC000006071237 355831890 /nfs/dbraw/zinc/83/18/90/355831890.db2.gz RBKPCJJEFJPCTB-QMMMGPOBSA-N 0 0 242.706 2.151 50 0 BEAARN O=C(CCc1ccc(O)cc1)C(F)(F)F ZINC000003646239 355995885 /nfs/dbraw/zinc/99/58/85/355995885.db2.gz AGHAHUKOERNMBX-UHFFFAOYSA-N 0 0 218.174 2.456 50 0 BEAARN NC(=O)CCCc1nc2ccccc2s1 ZINC000000405169 181222670 /nfs/dbraw/zinc/22/26/70/181222670.db2.gz YJAYSTKTNOOHLX-UHFFFAOYSA-N 0 0 220.297 2.104 50 0 BEAARN NC(=O)CSCc1ccc(Cl)cc1 ZINC000000450272 181240389 /nfs/dbraw/zinc/24/03/89/181240389.db2.gz NSWUIFGNCZDFHR-UHFFFAOYSA-N 0 0 215.705 2.059 50 0 BEAARN NC(=O)CSCc1cccc(OC(F)F)c1 ZINC000089780673 181240624 /nfs/dbraw/zinc/24/06/24/181240624.db2.gz ODBSGSPHPXRETN-UHFFFAOYSA-N 0 0 247.266 2.007 50 0 BEAARN NC(=O)CCSc1cccc(Cl)c1 ZINC000033433386 181226805 /nfs/dbraw/zinc/22/68/05/181226805.db2.gz GFEDWGRIFZDMBC-UHFFFAOYSA-N 0 0 215.705 2.308 50 0 BEAARN Nc1cccc(NC(=O)c2cccc(N)c2)c1 ZINC000000188631 356019819 /nfs/dbraw/zinc/01/98/19/356019819.db2.gz OMIOAPDWNQGXED-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN NC(=O)C[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000071773309 181242990 /nfs/dbraw/zinc/24/29/90/181242990.db2.gz KHAOETKYNQPJJA-PWSUYJOCSA-N 0 0 203.285 2.446 50 0 BEAARN NC(=O)C[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000071773306 181246574 /nfs/dbraw/zinc/24/65/74/181246574.db2.gz KHAOETKYNQPJJA-CMPLNLGQSA-N 0 0 203.285 2.446 50 0 BEAARN NC(=O)Cn1c2ccccc2c2ccccc21 ZINC000002814879 181248323 /nfs/dbraw/zinc/24/83/23/181248323.db2.gz AYSPMELWNGIEQV-UHFFFAOYSA-N 0 0 224.263 2.280 50 0 BEAARN C[C@H]([NH3+])C(=O)N1CCCCCc2ccccc21 ZINC000336098575 134080801 /nfs/dbraw/zinc/08/08/01/134080801.db2.gz YGJRLYZHOIDOLX-NSHDSACASA-N 0 0 232.327 2.093 50 0 BEAARN NC(=O)NCc1csc2ccccc12 ZINC000003615083 181259013 /nfs/dbraw/zinc/25/90/13/181259013.db2.gz FRTDMMCRXBWJED-UHFFFAOYSA-N 0 0 206.270 2.070 50 0 BEAARN NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000071849608 181262939 /nfs/dbraw/zinc/26/29/39/181262939.db2.gz NNHGIQSEALRYIH-UHFFFAOYSA-N 0 0 234.255 2.219 50 0 BEAARN Cc1cc(C(=O)NC2CC(F)(F)C2)oc1C ZINC000336119122 134089458 /nfs/dbraw/zinc/08/94/58/134089458.db2.gz ZUTOABKIOHFHFK-UHFFFAOYSA-N 0 0 229.226 2.424 50 0 BEAARN OCc1ccccc1C1(O)CCCCC1 ZINC000000399136 356357992 /nfs/dbraw/zinc/35/79/92/356357992.db2.gz AONAFUABWCECNT-UHFFFAOYSA-N 0 0 206.285 2.331 50 0 BEAARN CCCCC[C@@]1(C(=O)OCC)CCOC1=O ZINC000004582501 356362537 /nfs/dbraw/zinc/36/25/37/356362537.db2.gz FGGVSXPCGULNAU-LBPRGKRZSA-N 0 0 228.288 2.063 50 0 BEAARN CCO[C@H](O)[C@H](CC)C(=O)Nc1ccccc1 ZINC000004800901 356362715 /nfs/dbraw/zinc/36/27/15/356362715.db2.gz YSOXMMNGBGRDGE-YPMHNXCESA-N 0 0 237.299 2.006 50 0 BEAARN CCCCC[C@]1(C(=O)OCC)CCOC1=O ZINC000004582500 356362881 /nfs/dbraw/zinc/36/28/81/356362881.db2.gz FGGVSXPCGULNAU-GFCCVEGCSA-N 0 0 228.288 2.063 50 0 BEAARN OCC/C=C/CCCO[C@H]1CCCCO1 ZINC000001721884 356365159 /nfs/dbraw/zinc/36/51/59/356365159.db2.gz ABHBROKWGIRFEX-YYRQZUAOSA-N 0 0 214.305 2.248 50 0 BEAARN O=C1CC(=O)[C@@H]2c3ccccc3CC[C@@H]2C1 ZINC000045027558 356372312 /nfs/dbraw/zinc/37/23/12/356372312.db2.gz WULHCTYABJYDEK-YGRLFVJLSA-N 0 0 214.264 2.265 50 0 BEAARN NC(=O)[C@H](Cc1ccccc1)Oc1ccccc1 ZINC000059566271 181276830 /nfs/dbraw/zinc/27/68/30/181276830.db2.gz DCNMKVRBNHWYNP-AWEZNQCLSA-N 0 0 241.290 2.162 50 0 BEAARN NC(=O)c1c(Cl)cccc1Br ZINC000039222363 181286084 /nfs/dbraw/zinc/28/60/84/181286084.db2.gz UDVPGKUGXMLYTF-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN CC(=O)Nc1ccc(CNC(=O)C2CCC2)cc1 ZINC000012884313 356497367 /nfs/dbraw/zinc/49/73/67/356497367.db2.gz TXHUMKVOXGDAFP-UHFFFAOYSA-N 0 0 246.310 2.061 50 0 BEAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCCC1 ZINC000017356469 363491835 /nfs/dbraw/zinc/49/18/35/363491835.db2.gz QJBRXSIASUKMRJ-UHFFFAOYSA-N 0 0 241.294 2.313 50 0 BEAARN C[C@@H](CNC(=O)c1cnccn1)c1ccccc1 ZINC000012931374 356650590 /nfs/dbraw/zinc/65/05/90/356650590.db2.gz UMELTQPCLVEGAE-NSHDSACASA-N 0 0 241.294 2.010 50 0 BEAARN Clc1ccc(OC[C@H]2CCCO2)nc1 ZINC000085316382 538537973 /nfs/dbraw/zinc/53/79/73/538537973.db2.gz ZNSPWNBJJDTWFX-SECBINFHSA-N 0 0 213.664 2.293 50 0 BEAARN COC(=O)[C@H]1O[C@@]1(C)c1cccc(Cl)c1 ZINC000085657580 538544140 /nfs/dbraw/zinc/54/41/40/538544140.db2.gz DRJTWSSWHQHRLH-KOLCDFICSA-N 0 0 226.659 2.127 50 0 BEAARN COC(=O)[C@]1(C)O[C@@]1(C)C1CCCCC1 ZINC000085657942 538545006 /nfs/dbraw/zinc/54/50/06/538545006.db2.gz ODUQUFFHYSBQIT-RYUDHWBXSA-N 0 0 212.289 2.287 50 0 BEAARN COC(=O)[C@@]1(C)O[C@@]1(C)C1CCCCC1 ZINC000085657939 538545232 /nfs/dbraw/zinc/54/52/32/538545232.db2.gz ODUQUFFHYSBQIT-NWDGAFQWSA-N 0 0 212.289 2.287 50 0 BEAARN COC(=O)Cc1cc(=O)[nH]c2c(C)cc(C)cc12 ZINC000675082392 538523479 /nfs/dbraw/zinc/52/34/79/538523479.db2.gz ZPVCNNRCZASPLX-UHFFFAOYSA-N 0 0 245.278 2.273 50 0 BEAARN O=C(NC1CC1)N1CC=C(c2ccccc2)C1 ZINC000095464355 538604856 /nfs/dbraw/zinc/60/48/56/538604856.db2.gz BDFRLEQSLHWUKG-UHFFFAOYSA-N 0 0 228.295 2.258 50 0 BEAARN C[C@@H]1CC[C@@H](C(=O)Nc2cc(O)cc(F)c2)O1 ZINC000095450289 538605713 /nfs/dbraw/zinc/60/57/13/538605713.db2.gz ZTASEZBMIDZFTR-HQJQHLMTSA-N 0 0 239.246 2.037 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)Nc2cc(O)cc(F)c2)O1 ZINC000095450287 538607125 /nfs/dbraw/zinc/60/71/25/538607125.db2.gz ZTASEZBMIDZFTR-RDDDGLTNSA-N 0 0 239.246 2.037 50 0 BEAARN Cc1ccc([C@@H]2NC(=O)[C@@H]3CCCCN23)nc1 ZINC000095966448 538610269 /nfs/dbraw/zinc/61/02/69/538610269.db2.gz NEZLRIUTSISDMU-NWDGAFQWSA-N 0 0 231.299 2.213 50 0 BEAARN CN(C)c1noc(-c2coc(C3CCC3)n2)n1 ZINC000350197151 538632193 /nfs/dbraw/zinc/63/21/93/538632193.db2.gz FOYIAKRHYSAQOF-UHFFFAOYSA-N 0 0 234.259 2.058 50 0 BEAARN NC(=O)c1cc(Cl)ccc1Br ZINC000020154671 181289098 /nfs/dbraw/zinc/28/90/98/181289098.db2.gz MUPYRHASLDDKJT-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN CO[C@@H](C)c1noc(-c2scnc2C)n1 ZINC000075093600 356821257 /nfs/dbraw/zinc/82/12/57/356821257.db2.gz XYKMVQOMEFENBQ-LURJTMIESA-N 0 0 225.273 2.209 50 0 BEAARN CONC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000075145507 356879227 /nfs/dbraw/zinc/87/92/27/356879227.db2.gz JXGWIUBHSFLJMT-NXEZZACHSA-N 0 0 240.690 2.057 50 0 BEAARN CCCNC(=O)CCCC(=O)OC1(C)CCC1 ZINC000075109489 356840789 /nfs/dbraw/zinc/84/07/89/356840789.db2.gz RNYRYINGZGVUAJ-UHFFFAOYSA-N 0 0 241.331 2.169 50 0 BEAARN Nc1ccc(NC(=O)c2ccccc2)c(O)c1 ZINC000001596948 356987594 /nfs/dbraw/zinc/98/75/94/356987594.db2.gz XBSZSDGIVSNDOF-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN CCc1cccc(N[C@H]2CCCCNC2=O)c1 ZINC000012545642 538766716 /nfs/dbraw/zinc/76/67/16/538766716.db2.gz OPZOYFWVRBHYHZ-ZDUSSCGKSA-N 0 0 232.327 2.330 50 0 BEAARN CC(C)(C)OC(=O)n1cc(Cl)cn1 ZINC000261493976 491106882 /nfs/dbraw/zinc/10/68/82/491106882.db2.gz NCZCAYOHICXNKL-UHFFFAOYSA-N 0 0 202.641 2.320 50 0 BEAARN CCOc1c(Cl)cc(O)cc1OC ZINC000261494169 491106897 /nfs/dbraw/zinc/10/68/97/491106897.db2.gz RJNHOFJCSJMMJM-UHFFFAOYSA-N 0 0 202.637 2.453 50 0 BEAARN Clc1ccc2oc(N3CCOCC3)nc2c1 ZINC000001608249 357000807 /nfs/dbraw/zinc/00/08/07/357000807.db2.gz LDOYAIFMBIJNAG-UHFFFAOYSA-N 0 0 238.674 2.318 50 0 BEAARN CC1CCC(NC(=O)c2ccncc2)CC1 ZINC000012928046 538779215 /nfs/dbraw/zinc/77/92/15/538779215.db2.gz CXNHVTWHPOLWFP-UHFFFAOYSA-N 0 0 218.300 2.390 50 0 BEAARN CCc1ccc(C(=O)NC2CCC(O)CC2)cc1 ZINC000012973410 538780947 /nfs/dbraw/zinc/78/09/47/538780947.db2.gz VCMLFKMEYKGNDG-UHFFFAOYSA-N 0 0 247.338 2.282 50 0 BEAARN O=C([C@@H]1CC=CCC1)N1CC(C(F)F)C1 ZINC000585383241 538801003 /nfs/dbraw/zinc/80/10/03/538801003.db2.gz ZLLAFUJUYKRICJ-MRVPVSSYSA-N 0 0 215.243 2.066 50 0 BEAARN O=C(c1ccccc1)N1CC(C(F)F)C1 ZINC000585391083 538797556 /nfs/dbraw/zinc/79/75/56/538797556.db2.gz GLYGGJGCWYKLED-UHFFFAOYSA-N 0 0 211.211 2.024 50 0 BEAARN CC(C)[C@H]([NH2+]CC1CCCCC1)C(=O)[O-] ZINC000035391147 357218868 /nfs/dbraw/zinc/21/88/68/357218868.db2.gz UIZOFHYSVUAIKV-NSHDSACASA-N 0 0 213.321 2.266 50 0 BEAARN O=C(c1ccoc1)N(Cc1ccccn1)C1CC1 ZINC000035403768 357227899 /nfs/dbraw/zinc/22/78/99/357227899.db2.gz CGGAMCUTXUVVQB-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN NC(=O)c1ccc(-c2cn3ccccc3n2)cc1 ZINC000000387410 181292057 /nfs/dbraw/zinc/29/20/57/181292057.db2.gz NWGCVECXOLSHAD-UHFFFAOYSA-N 0 0 237.262 2.100 50 0 BEAARN NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000022864071 181291689 /nfs/dbraw/zinc/29/16/89/181291689.db2.gz LSVXIUWPEUBKBM-UHFFFAOYSA-N 0 0 239.072 2.029 50 0 BEAARN Cc1ccc(NC(=O)C2=COCCO2)cc1C ZINC000016031931 538879608 /nfs/dbraw/zinc/87/96/08/538879608.db2.gz KNMQKEYISGEJTR-UHFFFAOYSA-N 0 0 233.267 2.130 50 0 BEAARN NC(=O)c1ccc(-c2ccc(F)c(CO)c2)cc1 ZINC000067675912 181292510 /nfs/dbraw/zinc/29/25/10/181292510.db2.gz SPOUAFNNFQELFT-UHFFFAOYSA-N 0 0 245.253 2.084 50 0 BEAARN CCCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1 ZINC000006352329 358000263 /nfs/dbraw/zinc/00/02/63/358000263.db2.gz BCODTYDYUDSIRZ-UHFFFAOYSA-N 0 0 245.282 2.172 50 0 BEAARN CC(=O)N[C@H](C(=O)Nc1ccc(C)cc1)C(C)C ZINC000013016021 358184648 /nfs/dbraw/zinc/18/46/48/358184648.db2.gz NMXNEMDWFHKYBE-ZDUSSCGKSA-N 0 0 248.326 2.094 50 0 BEAARN Cc1cncc(C(=O)N[C@@H]2CC[C@H](F)C2)c1 ZINC000335911729 358223673 /nfs/dbraw/zinc/22/36/73/358223673.db2.gz VLAQJHAXOPZUDV-WDEREUQCSA-N 0 0 222.263 2.010 50 0 BEAARN Nc1cc(-c2cccc(Cl)c2)ncn1 ZINC000044262442 358405555 /nfs/dbraw/zinc/40/55/55/358405555.db2.gz ZYQBVXRVGUVSCW-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)CSC ZINC000033019204 358449506 /nfs/dbraw/zinc/44/95/06/358449506.db2.gz YNPCEPMSDHUOHW-SECBINFHSA-N 0 0 201.335 2.141 50 0 BEAARN CC(C)c1nc(CN2CCOC[C@H]2C)cs1 ZINC000051687521 358758173 /nfs/dbraw/zinc/75/81/73/358758173.db2.gz CQUJYUGXKDPVGA-SNVBAGLBSA-N 0 0 240.372 2.487 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1cnn(C)c1C ZINC000058283730 358910618 /nfs/dbraw/zinc/91/06/18/358910618.db2.gz GTCRRMDBJUAODQ-LLVKDONJSA-N 0 0 235.331 2.133 50 0 BEAARN Cc1ncsc1CN[C@@H](C)c1nccn1C ZINC000070008383 359038098 /nfs/dbraw/zinc/03/80/98/359038098.db2.gz IFVDGSVTKWBILZ-VIFPVBQESA-N 0 0 236.344 2.036 50 0 BEAARN CC(C)c1nnc2c(=O)[nH]c3ccccc3n21 ZINC000021730068 358985873 /nfs/dbraw/zinc/98/58/73/358985873.db2.gz UUWQDGFVFLAKGF-UHFFFAOYSA-N 0 0 228.255 2.107 50 0 BEAARN CNC(=O)c1cccc(NC(=O)C(C)(C)C)c1C ZINC000070254490 359046809 /nfs/dbraw/zinc/04/68/09/359046809.db2.gz AAPOUQYMCPZHQE-UHFFFAOYSA-N 0 0 248.326 2.339 50 0 BEAARN COC(=O)CSCc1cccc(F)c1 ZINC000006490466 359531121 /nfs/dbraw/zinc/53/11/21/359531121.db2.gz OSEOFGUENFXYMP-UHFFFAOYSA-N 0 0 214.261 2.232 50 0 BEAARN COCC1N=NC(=S)N1[C@@H](C)c1ccccc1 ZINC000006522155 359880621 /nfs/dbraw/zinc/88/06/21/359880621.db2.gz ICYZNGGTYITBCO-VIFPVBQESA-N 0 0 249.339 2.323 50 0 BEAARN CCn1cc(C(=O)Nc2cc(F)ccc2O)cn1 ZINC000079014387 359981770 /nfs/dbraw/zinc/98/17/70/359981770.db2.gz BDGUOYLGSBJKIZ-UHFFFAOYSA-N 0 0 249.245 2.000 50 0 BEAARN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC1 ZINC000089927771 360048152 /nfs/dbraw/zinc/04/81/52/360048152.db2.gz MKYQDKMNUFRQNX-VXGBXAGGSA-N 0 0 225.332 2.204 50 0 BEAARN CC(C)[C@@H](C)Sc1ncnc2n[nH]cc21 ZINC000089791244 360041476 /nfs/dbraw/zinc/04/14/76/360041476.db2.gz XZHDASDCTQVECR-SSDOTTSWSA-N 0 0 222.317 2.490 50 0 BEAARN CC(C)(C)c1noc([C@H]2CCCOC2)n1 ZINC000095396900 360336514 /nfs/dbraw/zinc/33/65/14/360336514.db2.gz CYMTZNDIGHTWRB-QMMMGPOBSA-N 0 0 210.277 2.261 50 0 BEAARN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000095401255 360337076 /nfs/dbraw/zinc/33/70/76/360337076.db2.gz LYASYPJZWXINTL-NWDGAFQWSA-N 0 0 207.317 2.481 50 0 BEAARN C[C@@H](NC(=O)c1ccco1)c1cncc(F)c1 ZINC000095465097 360337243 /nfs/dbraw/zinc/33/72/43/360337243.db2.gz JFSZYXOSIJRQIT-MRVPVSSYSA-N 0 0 234.230 2.305 50 0 BEAARN Cc1ccc2c(n1)OCCN2C(=O)[C@H]1CC1(C)C ZINC000095985616 360342561 /nfs/dbraw/zinc/34/25/61/360342561.db2.gz HYFBKEJXDOOTHI-SNVBAGLBSA-N 0 0 246.310 2.162 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003318763 166534796 /nfs/dbraw/zinc/53/47/96/166534796.db2.gz FGURHQIIKUPPRN-UHFFFAOYSA-N 0 0 221.256 2.400 50 0 BEAARN CCCCC(=O)N1C[C@@H](C)OCC1(C)C ZINC000036075947 360563042 /nfs/dbraw/zinc/56/30/42/360563042.db2.gz JHSSYUJNQRTNCJ-SNVBAGLBSA-N 0 0 213.321 2.203 50 0 BEAARN NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000012671905 181304471 /nfs/dbraw/zinc/30/44/71/181304471.db2.gz WHQUXCDNDZCTDL-UHFFFAOYSA-N 0 0 246.291 2.099 50 0 BEAARN CC(C)(CC(=O)N1CCOCC1)c1ccccc1 ZINC000036139833 360658657 /nfs/dbraw/zinc/65/86/57/360658657.db2.gz FKSWQRJYRLCGHU-UHFFFAOYSA-N 0 0 247.338 2.213 50 0 BEAARN NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CCC1 ZINC000008270782 181306572 /nfs/dbraw/zinc/30/65/72/181306572.db2.gz ROCWPVWDTUAALY-SNVBAGLBSA-N 0 0 244.294 2.080 50 0 BEAARN C[C@H](NC(=O)C1CCC1)c1ccccn1 ZINC000015480549 200651996 /nfs/dbraw/zinc/65/19/96/200651996.db2.gz NCIQQQKLPZGKMV-VIFPVBQESA-N 0 0 204.273 2.059 50 0 BEAARN NC(=O)c1csc(-c2ccc(F)cc2F)n1 ZINC000000121385 181311207 /nfs/dbraw/zinc/31/12/07/181311207.db2.gz NHQYYXGZHSVWOK-UHFFFAOYSA-N 0 0 240.234 2.187 50 0 BEAARN NC(=O)c1ncoc1-c1cccc(Cl)c1 ZINC000000107977 181313523 /nfs/dbraw/zinc/31/35/23/181313523.db2.gz OPFNLGUCNOXTII-UHFFFAOYSA-N 0 0 222.631 2.094 50 0 BEAARN NC(=S)Cc1ccccc1Br ZINC000019388456 181317049 /nfs/dbraw/zinc/31/70/49/181317049.db2.gz RITRBTUNNIPGOB-UHFFFAOYSA-N 0 0 230.130 2.278 50 0 BEAARN OCCC(CCO)c1ccc(Cl)cc1 ZINC000001022310 360938573 /nfs/dbraw/zinc/93/85/73/360938573.db2.gz GDAHFXFHSCDUSV-UHFFFAOYSA-N 0 0 214.692 2.188 50 0 BEAARN NC(=S)Cc1nc2ccccc2s1 ZINC000000080478 181317949 /nfs/dbraw/zinc/31/79/49/181317949.db2.gz CUNDVZRXLHKFFF-UHFFFAOYSA-N 0 0 208.311 2.125 50 0 BEAARN NC(=S)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002390130 181319544 /nfs/dbraw/zinc/31/95/44/181319544.db2.gz YKRHDLIKBWNPJI-UHFFFAOYSA-N 0 0 242.172 2.038 50 0 BEAARN COc1cc(CNC(=O)c2ccsc2)ccn1 ZINC000036394667 361079407 /nfs/dbraw/zinc/07/94/07/361079407.db2.gz APCIFGDMMNJAMB-UHFFFAOYSA-N 0 0 248.307 2.082 50 0 BEAARN CC(=O)N1CCC(CCOc2cccnc2)CC1 ZINC000065181208 361161576 /nfs/dbraw/zinc/16/15/76/361161576.db2.gz ITPZBLSWPGOURS-UHFFFAOYSA-N 0 0 248.326 2.109 50 0 BEAARN C[C@H](CC(=O)Nc1ccccc1)n1ccnc1 ZINC000006908565 361127202 /nfs/dbraw/zinc/12/72/02/361127202.db2.gz GPXFAKIOKWJEMV-LLVKDONJSA-N 0 0 229.283 2.473 50 0 BEAARN C[C@@H](C(=O)[O-])[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000082791313 491155041 /nfs/dbraw/zinc/15/50/41/491155041.db2.gz XJUWWICONBBZQF-QMMMGPOBSA-N 0 0 239.702 2.171 50 0 BEAARN O=C(c1n[nH]cc1Cl)N1CCc2ccccc21 ZINC000036623974 361366765 /nfs/dbraw/zinc/36/67/65/361366765.db2.gz BTHMEBKZLFHZBF-UHFFFAOYSA-N 0 0 247.685 2.266 50 0 BEAARN CC(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000007214560 361510879 /nfs/dbraw/zinc/51/08/79/361510879.db2.gz UATCJXIKSGNDLU-NSHDSACASA-N 0 0 219.284 2.282 50 0 BEAARN Cc1ccc(F)c(N(C#N)Cc2nccn2C)c1 ZINC000095412679 541306158 /nfs/dbraw/zinc/30/61/58/541306158.db2.gz QPGQIABNKOWNAZ-UHFFFAOYSA-N 0 0 244.273 2.355 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)c2ccco2)n1 ZINC000025463444 541307172 /nfs/dbraw/zinc/30/71/72/541307172.db2.gz RJFIUSJIFVRSEN-SNVBAGLBSA-N 0 0 230.267 2.474 50 0 BEAARN C[C@@H]1CN(C(=O)C2=CCCCO2)C[C@H](C)S1 ZINC000074095024 541312840 /nfs/dbraw/zinc/31/28/40/541312840.db2.gz FZGQNEGDOUUSGZ-AOOOYVTPSA-N 0 0 241.356 2.033 50 0 BEAARN CC(=O)O[C@@H]1CCCC(=O)[C@@H]2CC[C@@H](C)[C@@H]21 ZINC000252597698 363982627 /nfs/dbraw/zinc/98/26/27/363982627.db2.gz CTRGTIOYTQSBCH-LGOOBZPGSA-N 0 0 224.300 2.333 50 0 BEAARN CC(C)N(Cc1cccnc1)C(=S)NC1CC1 ZINC000066006856 364276038 /nfs/dbraw/zinc/27/60/38/364276038.db2.gz OSBIKMBZAVSITD-UHFFFAOYSA-N 0 0 249.383 2.329 50 0 BEAARN CC(C)(CNC(=O)[C@@H]1CCCOC1)C1CCC1 ZINC000452787712 202656227 /nfs/dbraw/zinc/65/62/27/202656227.db2.gz WDMINKZMUBNRSI-LLVKDONJSA-N 0 0 239.359 2.356 50 0 BEAARN Cc1cc(C(=O)NC2(C3CC3)CC2)ns1 ZINC000575118466 365208338 /nfs/dbraw/zinc/20/83/38/365208338.db2.gz IWSZEFJACOKCRB-UHFFFAOYSA-N 0 0 222.313 2.124 50 0 BEAARN COc1cc(F)cc(NC(=O)N2CCCC2)c1 ZINC000089423833 541469208 /nfs/dbraw/zinc/46/92/08/541469208.db2.gz LCNZTVMEBOEPCI-UHFFFAOYSA-N 0 0 238.262 2.462 50 0 BEAARN COc1cc(Cl)cc2c1OC[C@H](C(C)=O)C2 ZINC000675063286 541464704 /nfs/dbraw/zinc/46/47/04/541464704.db2.gz ATNYVHZWTZHAQA-SECBINFHSA-N 0 0 240.686 2.489 50 0 BEAARN CC(=O)[C@H]1COc2c(Cl)cccc2C1 ZINC000675063727 541465735 /nfs/dbraw/zinc/46/57/35/541465735.db2.gz MHXNZSPGAFZTMO-SECBINFHSA-N 0 0 210.660 2.480 50 0 BEAARN O=C(Nc1cccc(F)c1)[C@@H](O)c1ccccc1 ZINC000032876667 541502154 /nfs/dbraw/zinc/50/21/54/541502154.db2.gz RQIUXRAXTOAUOG-ZDUSSCGKSA-N 0 0 245.253 2.498 50 0 BEAARN COc1cccc(N(C)C(=O)c2ccccc2)n1 ZINC000032876336 541502165 /nfs/dbraw/zinc/50/21/65/541502165.db2.gz RMTZQACETBKVGJ-UHFFFAOYSA-N 0 0 242.278 2.367 50 0 BEAARN N#Cc1cc(-c2ccnc(Cl)n2)ccc1O ZINC000116814538 370839653 /nfs/dbraw/zinc/83/96/53/370839653.db2.gz NKHWXMGRHDHNQI-UHFFFAOYSA-N 0 0 231.642 2.374 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@H](CO)O2 ZINC000209934384 368399738 /nfs/dbraw/zinc/39/97/38/368399738.db2.gz ZBJCYZPANVLBRK-YVECIDJPSA-N 0 0 228.332 2.183 50 0 endogenous,in-man BEAARN Cc1[n-]n(-c2ccccc2)c(=O)c1[N+]#N ZINC000140683855 368392786 /nfs/dbraw/zinc/39/27/86/368392786.db2.gz HCNUVPLRPLRUAW-UHFFFAOYSA-O 0 0 201.209 2.371 50 0 BEAARN NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000071033580 368770555 /nfs/dbraw/zinc/77/05/55/368770555.db2.gz APGWBENAKGAERB-UHFFFAOYSA-N 0 0 239.072 2.029 50 0 BEAARN CCn1cc(CN(C)C(=O)[C@@H]2CC=CCC2)cn1 ZINC000072889817 368783924 /nfs/dbraw/zinc/78/39/24/368783924.db2.gz QRIUFKGMCWCCCN-CYBMUJFWSA-N 0 0 247.342 2.218 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000253369974 368938987 /nfs/dbraw/zinc/93/89/87/368938987.db2.gz KQRVPAGTJIGPEE-YJRXYDGGSA-N 0 0 233.286 2.454 50 0 BEAARN O=C(Nc1ccccc1)c1cnc2n1CCCC2 ZINC000089845677 368955199 /nfs/dbraw/zinc/95/51/99/368955199.db2.gz OPDGOSBTVIDCOC-UHFFFAOYSA-N 0 0 241.294 2.472 50 0 BEAARN CC(C)[C@@H](O)C(=O)NC1(CC(C)(C)C)CC1 ZINC000584893244 369040419 /nfs/dbraw/zinc/04/04/19/369040419.db2.gz YMXLZTIEASHEQV-SNVBAGLBSA-N 0 0 227.348 2.088 50 0 BEAARN CC(C)Cc1cc(CNC(=O)C2CC=CC2)on1 ZINC000584895462 369042770 /nfs/dbraw/zinc/04/27/70/369042770.db2.gz AAWDLENSOIBZRH-UHFFFAOYSA-N 0 0 248.326 2.456 50 0 BEAARN c1cnc(N2CC[C@H]3CCCC[C@H]32)cn1 ZINC000110669583 369911991 /nfs/dbraw/zinc/91/19/91/369911991.db2.gz NTCJMHYDLMQTOG-GHMZBOCLSA-N 0 0 203.289 2.246 50 0 BEAARN Fc1ccc(Nc2ncnc3nccnc32)cc1 ZINC000027817786 370632794 /nfs/dbraw/zinc/63/27/94/370632794.db2.gz VJXJUNNNRUXSQE-UHFFFAOYSA-N 0 0 241.229 2.303 50 0 BEAARN CCc1cc(=O)[nH]c(SCc2cccnc2)n1 ZINC000013115376 371008093 /nfs/dbraw/zinc/00/80/93/371008093.db2.gz MAZMWHIKUIVNNM-UHFFFAOYSA-N 0 0 247.323 2.020 50 0 BEAARN O=C([O-])[C@@H]1[NH2+]CCC[C@H]1CCc1ccccc1 ZINC000261361134 371058444 /nfs/dbraw/zinc/05/84/44/371058444.db2.gz QOWYXXZRPIENDA-QWHCGFSZSA-N 0 0 233.311 2.072 50 0 BEAARN O=C([O-])[C@@H]1[NH2+]CCC[C@@H]1CCc1ccccc1 ZINC000261361132 371058505 /nfs/dbraw/zinc/05/85/05/371058505.db2.gz QOWYXXZRPIENDA-CHWSQXEVSA-N 0 0 233.311 2.072 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000253496093 181539341 /nfs/dbraw/zinc/53/93/41/181539341.db2.gz CXHPFIVQKACSEY-LBPRGKRZSA-N 0 0 233.242 2.453 50 0 BEAARN CC(C)OCCCS(=O)(=O)CC(C)(C)C ZINC000390833269 371235044 /nfs/dbraw/zinc/23/50/44/371235044.db2.gz FKFWNFYPXGHXHM-UHFFFAOYSA-N 0 0 236.377 2.262 50 0 BEAARN [NH3+][C@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000016081610 181606825 /nfs/dbraw/zinc/60/68/25/181606825.db2.gz PECGVEGMRUZOML-AWEZNQCLSA-N 0 0 241.290 2.230 50 0 in-vitro BEAARN CCCCS(=O)(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000095469607 371290794 /nfs/dbraw/zinc/29/07/94/371290794.db2.gz XMBKAALJJLTTAQ-NEPJUHHUSA-N 0 0 245.388 2.381 50 0 BEAARN Nc1cc(NC(=O)c2ccncc2)ccc1F ZINC000022146146 181689661 /nfs/dbraw/zinc/68/96/61/181689661.db2.gz KUIOWZHBDQQJBZ-UHFFFAOYSA-N 0 0 231.230 2.055 50 0 BEAARN Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000035696737 181696987 /nfs/dbraw/zinc/69/69/87/181696987.db2.gz HQMRHWNTDKHEAV-UHFFFAOYSA-N 0 0 211.171 2.256 50 0 BEAARN CC[C@@H](NCc1ncc(C)o1)[C@@H]1CCCO1 ZINC000096013920 371376684 /nfs/dbraw/zinc/37/66/84/371376684.db2.gz UPUZMJRYQFYLLZ-MNOVXSKESA-N 0 0 224.304 2.030 50 0 BEAARN Nc1cccc(COCC(F)(F)F)c1 ZINC000019402831 181743349 /nfs/dbraw/zinc/74/33/49/181743349.db2.gz IQNICUMDZICMBN-UHFFFAOYSA-N 0 0 205.179 2.348 50 0 BEAARN Nc1ccc(OC(F)F)c2ncccc12 ZINC000019772685 181720249 /nfs/dbraw/zinc/72/02/49/181720249.db2.gz IRUAVMYTXAUCEZ-UHFFFAOYSA-N 0 0 210.183 2.418 50 0 BEAARN CCCCSCCC(=O)N[C@@H]1CCCOC1 ZINC000096416457 371490914 /nfs/dbraw/zinc/49/09/14/371490914.db2.gz HHTMORZKPHDORB-LLVKDONJSA-N 0 0 245.388 2.205 50 0 BEAARN Nc1ccc(OC[C@H]2CCCO2)c(Cl)c1 ZINC000009245899 181722509 /nfs/dbraw/zinc/72/25/09/181722509.db2.gz BXBUDXWNITUWFO-SECBINFHSA-N 0 0 227.691 2.480 50 0 BEAARN Nc1ccc(OCc2cccnc2)c(F)c1 ZINC000020352213 181722868 /nfs/dbraw/zinc/72/28/68/181722868.db2.gz SXTMWJNDIQFLCR-UHFFFAOYSA-N 0 0 218.231 2.382 50 0 BEAARN CCc1ncsc1NC(=O)[C@@]1(C)C[C@H]1F ZINC000335102721 371524843 /nfs/dbraw/zinc/52/48/43/371524843.db2.gz IMWYCJSGLXQMNZ-XCBNKYQSSA-N 0 0 228.292 2.392 50 0 BEAARN Cc1ccc(C(=O)N2CC(CF)C2)c(C)c1 ZINC000335213842 371531726 /nfs/dbraw/zinc/53/17/26/371531726.db2.gz DWUJVENOYWIGIG-UHFFFAOYSA-N 0 0 221.275 2.345 50 0 BEAARN Cc1cscc1C(=O)N1CC(CF)C1 ZINC000335214410 371533839 /nfs/dbraw/zinc/53/38/39/371533839.db2.gz GIQRCJIURCGPHJ-UHFFFAOYSA-N 0 0 213.277 2.098 50 0 BEAARN Nc1cscc1S(=O)(=O)c1ccccc1 ZINC000000095966 181773510 /nfs/dbraw/zinc/77/35/10/181773510.db2.gz HYLCXPMYGZOANR-UHFFFAOYSA-N 0 0 239.321 2.163 50 0 BEAARN Nc1nc(-c2ccc(Cl)cc2)ns1 ZINC000012336603 181775452 /nfs/dbraw/zinc/77/54/52/181775452.db2.gz IUSHKZWNRIGLGO-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Nc1n[nH]c(SCc2cccc(Cl)c2)n1 ZINC000001939760 181787984 /nfs/dbraw/zinc/78/79/84/181787984.db2.gz WGXVQVNMNHZHFA-UHFFFAOYSA-N 0 0 240.719 2.333 50 0 BEAARN CC(C)c1nc(NCc2cncs2)n(C)n1 ZINC000162332516 371660957 /nfs/dbraw/zinc/66/09/57/371660957.db2.gz SUUAMAKQCWVXMU-UHFFFAOYSA-N 0 0 237.332 2.007 50 0 BEAARN Nc1nc2nccc(-c3cccc(Cl)c3)n2n1 ZINC000001382400 181795963 /nfs/dbraw/zinc/79/59/63/181795963.db2.gz CZLHINPMUWGPHW-UHFFFAOYSA-N 0 0 245.673 2.027 50 0 BEAARN Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000003187347 181790251 /nfs/dbraw/zinc/79/02/51/181790251.db2.gz FKOMJCFVDCQUNY-UHFFFAOYSA-N 0 0 204.176 2.296 50 0 BEAARN O[C@@H]1CCCC[C@H]1[N@@H+]1CCc2sccc2C1 ZINC000216478563 371757367 /nfs/dbraw/zinc/75/73/67/371757367.db2.gz ALWUJNWBDWOKIF-VXGBXAGGSA-N 0 0 237.368 2.410 50 0 BEAARN Cc1cc(C)cc(OCC[n+]2cccc([O-])c2)c1 ZINC000029563347 371781124 /nfs/dbraw/zinc/78/11/24/371781124.db2.gz LQAWAGTXSZNJES-UHFFFAOYSA-O 0 0 244.314 2.376 50 0 BEAARN C/C=C/C=C/C(=O)NCc1cccnc1OCC ZINC000030309490 371911186 /nfs/dbraw/zinc/91/11/86/371911186.db2.gz YTRASQRWNXLVCE-USXIXMCRSA-N 0 0 246.310 2.229 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)Nc1nncs1 ZINC000000369276 181836899 /nfs/dbraw/zinc/83/68/99/181836899.db2.gz UEFJTXFOTOPOJN-ZZXKWVIFSA-N 0 0 249.270 2.329 50 0 BEAARN CSc1ccc(-n2cc([C@@H](C)O)nn2)cc1 ZINC000163362626 371983517 /nfs/dbraw/zinc/98/35/17/371983517.db2.gz MKZBPGRIYJUJCG-MRVPVSSYSA-N 0 0 235.312 2.043 50 0 BEAARN CCCCC(=O)NCCc1nc(C)cs1 ZINC000031848986 372117458 /nfs/dbraw/zinc/11/74/58/372117458.db2.gz FLMLNDSYRXYJRM-UHFFFAOYSA-N 0 0 226.345 2.300 50 0 BEAARN O=C(C1CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000969178 181863128 /nfs/dbraw/zinc/86/31/28/181863128.db2.gz NYDKCMDEOKOGOU-UHFFFAOYSA-N 0 0 240.306 2.463 50 0 biogenic BEAARN Cc1cc(C)n(CC(=O)Nc2ccccc2F)n1 ZINC000031548339 372080797 /nfs/dbraw/zinc/08/07/97/372080797.db2.gz LGNNTFQNZDPNQY-UHFFFAOYSA-N 0 0 247.273 2.278 50 0 BEAARN C[C@H](N=[N+]=[N-])c1nc2ccccc2c(=O)[nH]1 ZINC000004114655 372145540 /nfs/dbraw/zinc/14/55/40/372145540.db2.gz BRWGMOHRTCVQBT-LURJTMIESA-N 0 0 215.216 2.294 50 0 BEAARN O=C(CC[C@@H]1CCCO1)N1CCCCCC1 ZINC000040073300 181923195 /nfs/dbraw/zinc/92/31/95/181923195.db2.gz WXUQTYBQRBNJEN-LBPRGKRZSA-N 0 0 225.332 2.348 50 0 BEAARN O=C(CCOCC(F)(F)F)NC1CCCC1 ZINC000045268445 181918145 /nfs/dbraw/zinc/91/81/45/181918145.db2.gz CZJDDTFDHCHOEQ-UHFFFAOYSA-N 0 0 239.237 2.014 50 0 BEAARN C[C@H](Cc1cccs1)NC(=O)c1ccno1 ZINC000038565711 372703277 /nfs/dbraw/zinc/70/32/77/372703277.db2.gz DHZMGVXJYZZOCQ-MRVPVSSYSA-N 0 0 236.296 2.097 50 0 BEAARN O=C(COCC(F)(F)F)Nc1ccccc1 ZINC000060500736 181995445 /nfs/dbraw/zinc/99/54/45/181995445.db2.gz NZXQKHCHRJMLGV-UHFFFAOYSA-N 0 0 233.189 2.204 50 0 BEAARN CCc1c(C)[nH]c2ccc(NC(C)=O)cc2c1=O ZINC000008740084 372873616 /nfs/dbraw/zinc/87/36/16/372873616.db2.gz IDTIDICFFKDZSP-UHFFFAOYSA-N 0 0 244.294 2.357 50 0 biogenic BEAARN O=C(COc1ccc(F)cc1)N1CCCCC1 ZINC000004217917 182000438 /nfs/dbraw/zinc/00/04/38/182000438.db2.gz HNYNWPMFNSXBBE-UHFFFAOYSA-N 0 0 237.274 2.217 50 0 BEAARN O=C(COc1ccc(F)cc1Cl)NC1CC1 ZINC000013329231 182001731 /nfs/dbraw/zinc/00/17/31/182001731.db2.gz CZGCHSNVEFQILK-UHFFFAOYSA-N 0 0 243.665 2.137 50 0 BEAARN CCCc1c(O)[nH]c2ccccc2c1=O ZINC000008763147 372889124 /nfs/dbraw/zinc/88/91/24/372889124.db2.gz CKETYLIKMVJPGC-UHFFFAOYSA-N 0 0 203.241 2.186 50 0 BEAARN O=C(CSc1cc(F)ccc1F)N1CCC1 ZINC000065594922 182008931 /nfs/dbraw/zinc/00/89/31/182008931.db2.gz AQJDHIRZSPWRMD-UHFFFAOYSA-N 0 0 243.278 2.289 50 0 BEAARN O=C(CSc1ccccc1)Nc1ccon1 ZINC000004777414 182009435 /nfs/dbraw/zinc/00/94/35/182009435.db2.gz JNMMQTGBKZJWLE-UHFFFAOYSA-N 0 0 234.280 2.405 50 0 BEAARN O=C(C[C@H]1C=CCC1)NC1CCC(CO)CC1 ZINC000097371190 182025066 /nfs/dbraw/zinc/02/50/66/182025066.db2.gz GPZJVQAJCNXXLI-HIFPTAJRSA-N 0 0 237.343 2.010 50 0 BEAARN O=C(C[C@H](O)c1ccccn1)c1ccccc1 ZINC000036421199 182023682 /nfs/dbraw/zinc/02/36/82/182023682.db2.gz YUFVKVICSXQVSE-AWEZNQCLSA-N 0 0 227.263 2.388 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCc1cccnc1 ZINC000040465309 182024972 /nfs/dbraw/zinc/02/49/72/182024972.db2.gz HVQFDACZKWDPQD-NSHDSACASA-N 0 0 216.284 2.054 50 0 BEAARN O=C(C[C@H]1CCOC1)N1CCC2(CCCC2)C1 ZINC000371803557 182029658 /nfs/dbraw/zinc/02/96/58/182029658.db2.gz YXGDLIRUYVFCFB-GFCCVEGCSA-N 0 0 237.343 2.206 50 0 BEAARN O=C(Cc1ccc(F)cc1)N1CCCCC1 ZINC000001457091 182036199 /nfs/dbraw/zinc/03/61/99/182036199.db2.gz CFZYKKRJPHHDLV-UHFFFAOYSA-N 0 0 221.275 2.381 50 0 biogenic BEAARN O=C(Cc1ccccc1)Nc1ccncc1 ZINC000000029643 182044346 /nfs/dbraw/zinc/04/43/46/182044346.db2.gz IXHJFYPOQQZHGC-UHFFFAOYSA-N 0 0 212.252 2.263 50 0 BEAARN O=C(Cc1ccccc1Cl)NC1CC1 ZINC000012928968 182045627 /nfs/dbraw/zinc/04/56/27/182045627.db2.gz BMCMUTXJKRHZOG-UHFFFAOYSA-N 0 0 209.676 2.161 50 0 BEAARN O=C(Cc1cccs1)N1CCC[C@@H]1CF ZINC000293934381 182051378 /nfs/dbraw/zinc/05/13/78/182051378.db2.gz CAECGDHUSJUQME-SECBINFHSA-N 0 0 227.304 2.251 50 0 BEAARN O=C(Cc1cccs1)NC1CCCC1 ZINC000000030503 182051464 /nfs/dbraw/zinc/05/14/64/182051464.db2.gz VGAOYVCSRPIYRY-UHFFFAOYSA-N 0 0 209.314 2.349 50 0 BEAARN O=C(Cc1cccs1)N[C@H]1CC[C@@H](F)C1 ZINC000336560646 182052712 /nfs/dbraw/zinc/05/27/12/182052712.db2.gz BVUVBSUZUPPJBB-BDAKNGLRSA-N 0 0 227.304 2.297 50 0 BEAARN O=C(Cc1nc2ccccc2[nH]1)C(F)(F)F ZINC000011535696 182061855 /nfs/dbraw/zinc/06/18/55/182061855.db2.gz HJYPHXMVQPUHIO-UHFFFAOYSA-N 0 0 228.173 2.237 50 0 BEAARN O=C(Cn1ccnc1)c1ccc(Cl)cc1 ZINC000000377467 182071573 /nfs/dbraw/zinc/07/15/73/182071573.db2.gz PWFVNVYRKXDPGV-UHFFFAOYSA-N 0 0 220.659 2.419 50 0 BEAARN COC(=O)CSc1nc2ccccc2nc1C ZINC000040050127 373097676 /nfs/dbraw/zinc/09/76/76/373097676.db2.gz YHTVLACPQOYSAP-UHFFFAOYSA-N 0 0 248.307 2.203 50 0 BEAARN O=C(Cn1cccn1)Nc1cccc(Cl)c1 ZINC000032491998 182069300 /nfs/dbraw/zinc/06/93/00/182069300.db2.gz GSWNLEYXWADYLC-UHFFFAOYSA-N 0 0 235.674 2.175 50 0 BEAARN COC(=O)CCNC(=O)CCC1CCCCC1 ZINC000040412999 373248040 /nfs/dbraw/zinc/24/80/40/373248040.db2.gz AECXUTIEYQCFTE-UHFFFAOYSA-N 0 0 241.331 2.026 50 0 BEAARN CC(=O)Nc1ccc2nc(NC(C)=O)ccc2c1 ZINC000069486533 373302328 /nfs/dbraw/zinc/30/23/28/373302328.db2.gz OAGQDSSGDOSINC-UHFFFAOYSA-N 0 0 243.266 2.152 50 0 BEAARN O=C(NC1CC1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000065515418 182096128 /nfs/dbraw/zinc/09/61/28/182096128.db2.gz PPYXRVNBFQLNFF-CYBMUJFWSA-N 0 0 245.326 2.045 50 0 BEAARN CN(CC(=O)NC(C)(C)C)c1ccccc1 ZINC000040460789 373280176 /nfs/dbraw/zinc/28/01/76/373280176.db2.gz XEDMCNLKFTVPFB-UHFFFAOYSA-N 0 0 220.316 2.038 50 0 BEAARN O=C(NC1CC1)c1cc(-c2cccs2)n[nH]1 ZINC000006736856 182099322 /nfs/dbraw/zinc/09/93/22/182099322.db2.gz IYFTTYPJXOPOAY-UHFFFAOYSA-N 0 0 233.296 2.030 50 0 BEAARN O=C(NC1CCCCC1)c1cscn1 ZINC000041499215 182113939 /nfs/dbraw/zinc/11/39/39/182113939.db2.gz OVKIHOFCHGDJQM-UHFFFAOYSA-N 0 0 210.302 2.206 50 0 BEAARN O=C(NC1CCCCC1)N1CCSCC1 ZINC000000213900 182113246 /nfs/dbraw/zinc/11/32/46/182113246.db2.gz ZSUGAOKLCVSDIV-UHFFFAOYSA-N 0 0 228.361 2.078 50 0 BEAARN O=C(NC1CCCC1)c1cccnc1Cl ZINC000000311860 182110974 /nfs/dbraw/zinc/11/09/74/182110974.db2.gz ROXFDGGIMQZRPV-UHFFFAOYSA-N 0 0 224.691 2.407 50 0 BEAARN CC(C)=CC(=O)N[C@@H](C)Cc1ccco1 ZINC000040510213 373406718 /nfs/dbraw/zinc/40/67/18/373406718.db2.gz VYTKLTREMINQFC-JTQLQIEISA-N 0 0 207.273 2.293 50 0 BEAARN O=C(NCC(F)(F)F)Nc1ccc(O)cc1 ZINC000097094735 182123750 /nfs/dbraw/zinc/12/37/50/182123750.db2.gz SOAMKGBPVVAPOD-UHFFFAOYSA-N 0 0 234.177 2.076 50 0 BEAARN O=C(NCC(F)(F)F)C1(c2ccccc2)CC1 ZINC000058279640 182122866 /nfs/dbraw/zinc/12/28/66/182122866.db2.gz MFAYFZTWKAFYGC-UHFFFAOYSA-N 0 0 243.228 2.397 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N(C)[C@@H](C)C1CC1 ZINC000040521136 373444824 /nfs/dbraw/zinc/44/48/24/373444824.db2.gz SJLRTCYHDDMQPZ-WDEREUQCSA-N 0 0 227.348 2.304 50 0 BEAARN O=C(c1ccc(Cl)o1)N1CCSCC1 ZINC000040542003 373467514 /nfs/dbraw/zinc/46/75/14/373467514.db2.gz AZHOEKYLHCMXKO-UHFFFAOYSA-N 0 0 231.704 2.122 50 0 BEAARN O=C(NCC(F)(F)F)c1ccsc1 ZINC000038488741 182124927 /nfs/dbraw/zinc/12/49/27/182124927.db2.gz ZQRPUQOAFMWHNF-UHFFFAOYSA-N 0 0 209.192 2.040 50 0 BEAARN O=C(NCC1CC1)[C@@H]1Cc2ccccc2S1 ZINC000023174990 182140560 /nfs/dbraw/zinc/14/05/60/182140560.db2.gz OLZCYHGGPAGNKZ-LBPRGKRZSA-N 0 0 233.336 2.230 50 0 BEAARN O=C(NCC1CC1)c1cc2cc(F)ccc2[nH]1 ZINC000032760382 182140801 /nfs/dbraw/zinc/14/08/01/182140801.db2.gz DKUCXTAFTDZCKE-UHFFFAOYSA-N 0 0 232.258 2.447 50 0 BEAARN Cc1ccc(CNC(=O)N2CCCC2)cc1 ZINC000009218455 373579403 /nfs/dbraw/zinc/57/94/03/373579403.db2.gz ICQIJCGJPRPPBJ-UHFFFAOYSA-N 0 0 218.300 2.300 50 0 BEAARN O=C(NCC1CC1)c1coc(Br)c1 ZINC000012989680 182142588 /nfs/dbraw/zinc/14/25/88/182142588.db2.gz JGHZCUQPCKJLHX-UHFFFAOYSA-N 0 0 244.088 2.182 50 0 BEAARN O=C(NCC1CCC1)c1cc(C2CC2)on1 ZINC000026143587 182142943 /nfs/dbraw/zinc/14/29/43/182142943.db2.gz OBXVCFYQFIKFBH-UHFFFAOYSA-N 0 0 220.272 2.082 50 0 BEAARN O=C(NCC1CCCC1)c1ccncc1 ZINC000036112758 182146348 /nfs/dbraw/zinc/14/63/48/182146348.db2.gz XGWBANXPQPPXKL-UHFFFAOYSA-N 0 0 204.273 2.002 50 0 BEAARN O=C(NCCCc1ccccc1)NC1CC1 ZINC000036178947 182175691 /nfs/dbraw/zinc/17/56/91/182175691.db2.gz UDODEGXSCHPQER-UHFFFAOYSA-N 0 0 218.300 2.081 50 0 BEAARN O=C(NCCSCc1ccccc1)C1CC1 ZINC000032736764 182197403 /nfs/dbraw/zinc/19/74/03/182197403.db2.gz SDUCJVJTNCMFQB-UHFFFAOYSA-N 0 0 235.352 2.446 50 0 BEAARN O=C(NCCOc1ccccc1)c1ccco1 ZINC000016009508 182198112 /nfs/dbraw/zinc/19/81/12/182198112.db2.gz HZDIQRCFZFVRLO-UHFFFAOYSA-N 0 0 231.251 2.088 50 0 BEAARN O=C(NCC[C@H](O)c1ccccc1)C1CCC1 ZINC000085436418 182200140 /nfs/dbraw/zinc/20/01/40/182200140.db2.gz IEHNHROWKAKSTR-ZDUSSCGKSA-N 0 0 233.311 2.026 50 0 BEAARN O=C(NCC[C@H](O)c1ccoc1)[C@H]1CC=CCC1 ZINC000090613061 182200669 /nfs/dbraw/zinc/20/06/69/182200669.db2.gz ZAQSDYXSFSRWBD-AAEUAGOBSA-N 0 0 249.310 2.176 50 0 BEAARN O=C(NCCc1ccccc1F)c1ccccn1 ZINC000007544985 182204275 /nfs/dbraw/zinc/20/42/75/182204275.db2.gz IURMVODIEDFXJE-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccccc1)Nc1cccnc1 ZINC000009379467 182204784 /nfs/dbraw/zinc/20/47/84/182204784.db2.gz QJXRSLCGSMJSKQ-UHFFFAOYSA-N 0 0 241.294 2.446 50 0 BEAARN O=C(NCCc1ccco1)c1ccc(F)cc1 ZINC000004783871 182207955 /nfs/dbraw/zinc/20/79/55/182207955.db2.gz CRVKAFSRJYELBE-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1ccoc1)[C@H]1CC=CCC1 ZINC000090607408 182208399 /nfs/dbraw/zinc/20/83/99/182208399.db2.gz GUHNZHFNMVGKAZ-LBPRGKRZSA-N 0 0 219.284 2.295 50 0 BEAARN O=C(NC[C@@H](O)c1ccccc1)c1cccs1 ZINC000000152705 182221589 /nfs/dbraw/zinc/22/15/89/182221589.db2.gz SODWLFGVFNKBBJ-LLVKDONJSA-N 0 0 247.319 2.212 50 0 BEAARN O=C(NC[C@@H]1CC=CCC1)[C@@H]1CC1(F)F ZINC000294770542 182223075 /nfs/dbraw/zinc/22/30/75/182223075.db2.gz QXBIPSVSCQQLKA-BDAKNGLRSA-N 0 0 215.243 2.114 50 0 BEAARN COC(=O)N1CCO[C@H](c2ccc(C)cc2)C1 ZINC000041171302 374116102 /nfs/dbraw/zinc/11/61/02/374116102.db2.gz PKPTZONXYFGRPD-LBPRGKRZSA-N 0 0 235.283 2.135 50 0 BEAARN Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000041538638 374145379 /nfs/dbraw/zinc/14/53/79/374145379.db2.gz DYRGZRFTEQIPJH-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000009577113 374168162 /nfs/dbraw/zinc/16/81/62/374168162.db2.gz XAXTVUANKNAAHP-UHFFFAOYSA-N 0 0 220.247 2.176 50 0 BEAARN O=C(NC[C@H]1CCCN1c1ccccc1)C1CC1 ZINC000211114149 182237616 /nfs/dbraw/zinc/23/76/16/182237616.db2.gz UYIMCJNEIDUOKT-CQSZACIVSA-N 0 0 244.338 2.182 50 0 BEAARN CC(C)(C)C(=O)NOCc1ccccc1 ZINC000041978674 374232177 /nfs/dbraw/zinc/23/21/77/374232177.db2.gz XSBZRCYZDXMLPH-UHFFFAOYSA-N 0 0 207.273 2.281 50 0 BEAARN CC[C@@H](C)C(=O)Nc1nc(C(C)=O)cs1 ZINC000041907517 374216715 /nfs/dbraw/zinc/21/67/15/374216715.db2.gz MKOMCBPZMGLPJG-ZCFIWIBFSA-N 0 0 226.301 2.330 50 0 BEAARN O=C(NCc1cc(F)cc(F)c1)c1ccccn1 ZINC000030163365 182249375 /nfs/dbraw/zinc/24/93/75/182249375.db2.gz GJUXTOMLQCYIGX-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1ccncc1 ZINC000000453074 182250107 /nfs/dbraw/zinc/25/01/07/182250107.db2.gz CEKNMTCALFEWJP-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1ccc(O)cc1 ZINC000006787443 182250337 /nfs/dbraw/zinc/25/03/37/182250337.db2.gz QMHPNGHNRMNQDG-UHFFFAOYSA-N 0 0 245.253 2.461 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1ccc[nH]1 ZINC000001404025 182250505 /nfs/dbraw/zinc/25/05/05/182250505.db2.gz ISDNXPQCMNXNMI-UHFFFAOYSA-N 0 0 218.231 2.084 50 0 BEAARN CONC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000009836394 374250134 /nfs/dbraw/zinc/25/01/34/374250134.db2.gz IGZRMGLSFNEPCD-UHFFFAOYSA-N 0 0 234.082 2.214 50 0 BEAARN CCCc1nc(CN2CCO[C@@H](C)C2)cs1 ZINC000042652047 374279457 /nfs/dbraw/zinc/27/94/57/374279457.db2.gz LKJICJGCNWKYAZ-JTQLQIEISA-N 0 0 240.372 2.316 50 0 BEAARN O=C(NCc1cccs1)c1ccncc1 ZINC000000476283 182264349 /nfs/dbraw/zinc/26/43/49/182264349.db2.gz NMOVVQDVMDOEOI-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1cccs1)Nc1ccccn1 ZINC000049027242 182264870 /nfs/dbraw/zinc/26/48/70/182264870.db2.gz JIGWQNHZECKUNI-UHFFFAOYSA-N 0 0 233.296 2.465 50 0 BEAARN O=C(NCc1ccccc1Cl)c1ncccn1 ZINC000082230421 182257288 /nfs/dbraw/zinc/25/72/88/182257288.db2.gz WQYDOTSZUXENGA-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN O=C(NCc1ccccc1)c1ccoc1 ZINC000018184316 182257402 /nfs/dbraw/zinc/25/74/02/182257402.db2.gz FTPNLQMYDZHUKD-UHFFFAOYSA-N 0 0 201.225 2.210 50 0 BEAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCO1 ZINC000000611553 182257422 /nfs/dbraw/zinc/25/74/22/182257422.db2.gz LPADWTQTRNUCDZ-NSHDSACASA-N 0 0 239.702 2.135 50 0 BEAARN O=C(NCc1ccncc1)c1cc(F)ccc1F ZINC000016652031 182265915 /nfs/dbraw/zinc/26/59/15/182265915.db2.gz IANZLOUMDGWMKV-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccccn1)c1cccnc1Cl ZINC000005395298 182259577 /nfs/dbraw/zinc/25/95/77/182259577.db2.gz FODJCEYCDFPECI-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN O=C(NCc1ccncc1)[C@H]1CC=CCC1 ZINC000032998110 182265426 /nfs/dbraw/zinc/26/54/26/182265426.db2.gz FQWXACGOQBEYKS-LBPRGKRZSA-N 0 0 216.284 2.054 50 0 BEAARN O=C(NCc1nccs1)c1ccccc1 ZINC000041538634 182275632 /nfs/dbraw/zinc/27/56/32/182275632.db2.gz PPSFFDKSJJWSFY-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN CCCCCC[C@H](C)NC(=O)NOC ZINC000071802049 374293222 /nfs/dbraw/zinc/29/32/22/374293222.db2.gz JECKRYPSFMOPQR-VIFPVBQESA-N 0 0 202.298 2.206 50 0 BEAARN CCN(CC)C(=O)Nc1ccc2c(c1)CCO2 ZINC000071834913 374302807 /nfs/dbraw/zinc/30/28/07/374302807.db2.gz JIWXVRTYBLECMK-UHFFFAOYSA-N 0 0 234.299 2.495 50 0 BEAARN O=C(N[C@@H]1CCCC[C@H]1O)OCc1ccccc1 ZINC000034364386 182294216 /nfs/dbraw/zinc/29/42/16/182294216.db2.gz IDQLGJJPYSFXPM-CHWSQXEVSA-N 0 0 249.310 2.216 50 0 BEAARN O=C(N[C@@H]1CCCc2occc21)c1ccc[nH]1 ZINC000170594778 182301667 /nfs/dbraw/zinc/30/16/67/182301667.db2.gz FMTRHEMXKGCJCP-SNVBAGLBSA-N 0 0 230.267 2.415 50 0 BEAARN O=C(N[C@@H]1CC[C@H](F)C1)c1cccc(O)c1 ZINC000336432111 182311400 /nfs/dbraw/zinc/31/14/00/182311400.db2.gz PVVPYSRVMFTSNJ-VHSXEESVSA-N 0 0 223.247 2.013 50 0 BEAARN O=C(N[C@@H]1CCc2ccccc21)c1ccncc1 ZINC000013011716 182311957 /nfs/dbraw/zinc/31/19/57/182311957.db2.gz OTRVNEMPYRCSGN-CQSZACIVSA-N 0 0 238.290 2.499 50 0 BEAARN O=C(N[C@H]1CCCCC1=O)OCc1ccccc1 ZINC000086005713 182328093 /nfs/dbraw/zinc/32/80/93/182328093.db2.gz CUPVDJPKTJYHRA-LBPRGKRZSA-N 0 0 247.294 2.425 50 0 BEAARN O=C(N[C@H]1CCOc2ccccc21)C1CCC1 ZINC000007215030 182338837 /nfs/dbraw/zinc/33/88/37/182338837.db2.gz IYVBYXNAXRLWAE-LBPRGKRZSA-N 0 0 231.295 2.427 50 0 BEAARN O=C(N[C@H]1CCc2ccccc21)c1ccncc1 ZINC000013011717 182341209 /nfs/dbraw/zinc/34/12/09/182341209.db2.gz OTRVNEMPYRCSGN-AWEZNQCLSA-N 0 0 238.290 2.499 50 0 BEAARN O=C(Nc1cc[nH]n1)c1ccccc1Cl ZINC000048798492 182350970 /nfs/dbraw/zinc/35/09/70/182350970.db2.gz GCRPDUDGEHIPAJ-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1cc[nH]n1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000068440520 182351766 /nfs/dbraw/zinc/35/17/66/182351766.db2.gz FYKXVAXNLRZOPO-GHMZBOCLSA-N 0 0 227.267 2.152 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)OC/C=C/CO ZINC000004106775 182352987 /nfs/dbraw/zinc/35/29/87/182352987.db2.gz NJFAGWJWYGOAQN-OWOJBTEDSA-N 0 0 241.674 2.437 50 0 BEAARN O=C(Nc1ccc(Cl)cc1O)[C@@H]1CCCO1 ZINC000096484157 182354208 /nfs/dbraw/zinc/35/42/08/182354208.db2.gz KLGNXSWHPGNCED-JTQLQIEISA-N 0 0 241.674 2.163 50 0 BEAARN O=C(Nc1ccc(F)cc1)N1CCCC1 ZINC000006727089 182355540 /nfs/dbraw/zinc/35/55/40/182355540.db2.gz QAHOCKLHIYXVKH-UHFFFAOYSA-N 0 0 208.236 2.453 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1)c1csnn1 ZINC000001387589 182355914 /nfs/dbraw/zinc/35/59/14/182355914.db2.gz RGPBGTIJVQMQKZ-UHFFFAOYSA-N 0 0 241.222 2.069 50 0 BEAARN O=C(Nc1ccc(F)cc1F)c1cnccn1 ZINC000000176181 182357212 /nfs/dbraw/zinc/35/72/12/182357212.db2.gz RIUFHAGLQYVUKI-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1ccc2nonc2c1)N1CCCCC1 ZINC000000171109 182367143 /nfs/dbraw/zinc/36/71/43/182367143.db2.gz IXXHFECICDXORT-UHFFFAOYSA-N 0 0 246.270 2.241 50 0 BEAARN O=C(Nc1ccc(F)cn1)[C@H]1CCCS1 ZINC000266556489 182358263 /nfs/dbraw/zinc/35/82/63/182358263.db2.gz MAMSECITERADSG-MRVPVSSYSA-N 0 0 226.276 2.055 50 0 BEAARN O=C(Nc1ccc(N2CCCC2)cn1)C1CCC1 ZINC000084429007 182359517 /nfs/dbraw/zinc/35/95/17/182359517.db2.gz APAUYWFBMWPXNB-UHFFFAOYSA-N 0 0 245.326 2.420 50 0 BEAARN O=C(Nc1ccc(O)cc1Cl)NC1CC1 ZINC000059692735 182361521 /nfs/dbraw/zinc/36/15/21/182361521.db2.gz QVPZNUIZEVRITP-UHFFFAOYSA-N 0 0 226.663 2.330 50 0 BEAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccoc1 ZINC000000158446 182365767 /nfs/dbraw/zinc/36/57/67/182365767.db2.gz VRFNKUOQTCPCDD-UHFFFAOYSA-N 0 0 245.234 2.303 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)c1ccco1 ZINC000000027610 182365861 /nfs/dbraw/zinc/36/58/61/182365861.db2.gz XTZQUUFEQWTGNT-UHFFFAOYSA-N 0 0 231.207 2.261 50 0 BEAARN O=C(Nc1ccc2nccnc2c1)c1ccco1 ZINC000001399127 182366664 /nfs/dbraw/zinc/36/66/64/182366664.db2.gz OMVSOTCJHVKNGC-UHFFFAOYSA-N 0 0 239.234 2.475 50 0 BEAARN O=C(Nc1cccc2ncccc21)[C@H]1CCCO1 ZINC000005770071 182374655 /nfs/dbraw/zinc/37/46/55/182374655.db2.gz GGNKQRLCIGPBLB-CYBMUJFWSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1ccccc1Cl)c1cc[nH]n1 ZINC000013115334 182378987 /nfs/dbraw/zinc/37/89/87/182378987.db2.gz XGZGGDFTPYYPMV-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1ccccc1)N[C@@H]1CCC[C@@H](O)C1 ZINC000075156799 182376019 /nfs/dbraw/zinc/37/60/19/182376019.db2.gz WDNXBNRDYJIYLR-VXGBXAGGSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccon1)[C@@H]1C[C@H]1c1ccccc1 ZINC000028226097 182389373 /nfs/dbraw/zinc/38/93/73/182389373.db2.gz OKPSZZHRDPVFOW-WDEREUQCSA-N 0 0 228.251 2.417 50 0 BEAARN O=C(Nc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000064542903 182392505 /nfs/dbraw/zinc/39/25/05/182392505.db2.gz YOOYXYQYPHSFBD-UHFFFAOYSA-N 0 0 239.278 2.492 50 0 BEAARN O=C(Nc1ccsc1)Nc1cccnn1 ZINC000191516634 182390425 /nfs/dbraw/zinc/39/04/25/182390425.db2.gz OYSYQTQNTJTZMC-UHFFFAOYSA-N 0 0 220.257 2.182 50 0 BEAARN O=C(Nc1ccccn1)c1ccccc1O ZINC000000072642 182382781 /nfs/dbraw/zinc/38/27/81/182382781.db2.gz RAEVIQJZJBWVCX-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1ccccn1)c1n[nH]c2ccccc21 ZINC000012525395 182383233 /nfs/dbraw/zinc/38/32/33/182383233.db2.gz NGLBXLIGTUDSLS-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1nc2ccccc2[nH]1)c1cccnc1 ZINC000005942356 182397665 /nfs/dbraw/zinc/39/76/65/182397665.db2.gz HRGOZHCVIKORDV-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN CCCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000028497993 168872040 /nfs/dbraw/zinc/87/20/40/168872040.db2.gz HQIBTWVJFAMODY-UHFFFAOYSA-N 0 0 247.747 2.418 50 0 BEAARN CCCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000033697497 168871241 /nfs/dbraw/zinc/87/12/41/168871241.db2.gz PZDKTCRAXMQZTK-LUAWRHEFSA-N 0 0 239.340 2.377 50 0 BEAARN O=C(OCc1ccccc1)C1CCOCC1 ZINC000059683242 182605293 /nfs/dbraw/zinc/60/52/93/182605293.db2.gz RXYRKEYNYDYBOQ-UHFFFAOYSA-N 0 0 220.268 2.156 50 0 BEAARN O=C([C@@H]1Cc2ccccc2O1)N1CCCCC1 ZINC000002493812 182629690 /nfs/dbraw/zinc/62/96/90/182629690.db2.gz YGDQJLAWPAUWCP-ZDUSSCGKSA-N 0 0 231.295 2.003 50 0 BEAARN O=C([C@H]1Cc2ccccc2S1)N1CCCC1 ZINC000032876653 182644270 /nfs/dbraw/zinc/64/42/70/182644270.db2.gz WUZUZBOLYMKPLF-GFCCVEGCSA-N 0 0 233.336 2.326 50 0 BEAARN O=C(c1cc(-c2ccco2)on1)N1CCCC1 ZINC000002602341 182646679 /nfs/dbraw/zinc/64/66/79/182646679.db2.gz PPJIXFQWVHMKRX-UHFFFAOYSA-N 0 0 232.239 2.171 50 0 BEAARN O=C(c1cc(Cl)c[nH]1)N1CCCCC1 ZINC000028649348 182648432 /nfs/dbraw/zinc/64/84/32/182648432.db2.gz PTIQVSUEGIMPIM-UHFFFAOYSA-N 0 0 212.680 2.294 50 0 BEAARN CCOC(=O)COc1ccc(C=O)cc1Cl ZINC000000586252 170229004 /nfs/dbraw/zinc/22/90/04/170229004.db2.gz CGDJAPMNLGDLDT-UHFFFAOYSA-N 0 0 242.658 2.094 50 0 BEAARN O=C(c1cccs1)n1c(=O)oc2ccccc21 ZINC000000507230 182687814 /nfs/dbraw/zinc/68/78/14/182687814.db2.gz NIBRTPMDKIQXKR-UHFFFAOYSA-N 0 0 245.259 2.345 50 0 BEAARN O=C(c1ccccn1)c1ccccc1F ZINC000006095240 182681340 /nfs/dbraw/zinc/68/13/40/182681340.db2.gz NXJUUEIQHLXBPZ-UHFFFAOYSA-N 0 0 201.200 2.452 50 0 BEAARN O=C(c1ncc[nH]1)c1ccccc1Cl ZINC000008782201 182708310 /nfs/dbraw/zinc/70/83/10/182708310.db2.gz TVSKZVNNCYVRFZ-UHFFFAOYSA-N 0 0 206.632 2.294 50 0 BEAARN O=C1CCC(c2ccc(Cl)s2)=NN1 ZINC000014119680 182724807 /nfs/dbraw/zinc/72/48/07/182724807.db2.gz UGVWCDMPMUDSKW-UHFFFAOYSA-N 0 0 214.677 2.016 50 0 BEAARN CCOC(=O)[C@@H](F)P(=O)(OCC)OCC ZINC000002504697 170252472 /nfs/dbraw/zinc/25/24/72/170252472.db2.gz FVPISMANESAJQZ-ZETCQYMHSA-N 0 0 242.183 2.111 50 0 BEAARN O=C1CCNc2cc(Br)ccc21 ZINC000038665639 182745249 /nfs/dbraw/zinc/74/52/49/182745249.db2.gz MZRDGUADMZHLRW-UHFFFAOYSA-N 0 0 226.073 2.447 50 0 BEAARN O=C1CN(CC2CC2)C(=O)N1c1ccc(F)cc1 ZINC000036884827 182761262 /nfs/dbraw/zinc/76/12/62/182761262.db2.gz QLMQTGUNRYIBQH-UHFFFAOYSA-N 0 0 248.257 2.004 50 0 BEAARN O=C(Nc1ccc2c(c1)CC(=O)N2)c1ccco1 ZINC000008803841 182787659 /nfs/dbraw/zinc/78/76/59/182787659.db2.gz AEVVBZLHFSKGEW-UHFFFAOYSA-N 0 0 242.234 2.027 50 0 BEAARN O=C1NCCCN1Cc1ccc(Cl)cc1 ZINC000000215799 182799363 /nfs/dbraw/zinc/79/93/63/182799363.db2.gz AAAJHRMBUHXWLD-UHFFFAOYSA-N 0 0 224.691 2.255 50 0 BEAARN O=C1c2ccccc2C(=O)N1Cc1ccco1 ZINC000000221294 182844546 /nfs/dbraw/zinc/84/45/46/182844546.db2.gz HEASRFXNBZVYOV-UHFFFAOYSA-N 0 0 227.219 2.076 50 0 BEAARN O=Cc1c(F)cccc1N1CC(F)(F)C1 ZINC000169725269 182860206 /nfs/dbraw/zinc/86/02/06/182860206.db2.gz VIHICOTYWDUKMG-UHFFFAOYSA-N 0 0 215.174 2.094 50 0 BEAARN O=Cc1cnc(Cl)cc1Br ZINC000072191295 182874059 /nfs/dbraw/zinc/87/40/59/182874059.db2.gz VIRJSSSWMBEHAG-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN O=Cc1cnc(-c2ccccc2F)nc1 ZINC000008731032 182874396 /nfs/dbraw/zinc/87/43/96/182874396.db2.gz SBKCPJUYLLRHTH-UHFFFAOYSA-N 0 0 202.188 2.095 50 0 BEAARN CCCCSC[C@H](C)CS(C)(=O)=O ZINC000095411014 168930482 /nfs/dbraw/zinc/93/04/82/168930482.db2.gz VSMYVGDDRIQLPC-VIFPVBQESA-N 0 0 224.391 2.200 50 0 BEAARN O=c1[nH]c(-c2ccncc2)nc2ccc(F)cc21 ZINC000048606599 182969632 /nfs/dbraw/zinc/96/96/32/182969632.db2.gz UGECVLHZOPEEET-UHFFFAOYSA-N 0 0 241.225 2.124 50 0 BEAARN O=c1ccc(-c2ccccc2Cl)n[nH]1 ZINC000026420390 182998844 /nfs/dbraw/zinc/99/88/44/182998844.db2.gz OGXMYBAVSRJNCL-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN O=c1ccc2c(F)c(F)c(F)c(F)c2o1 ZINC000002525286 183001356 /nfs/dbraw/zinc/00/13/56/183001356.db2.gz HTKMOKUQPFWCEI-UHFFFAOYSA-N 0 0 218.105 2.349 50 0 BEAARN O=c1ccccn1Cc1c(F)cccc1F ZINC000129876093 183002884 /nfs/dbraw/zinc/00/28/84/183002884.db2.gz WXEOXOUJNJBYIK-UHFFFAOYSA-N 0 0 221.206 2.175 50 0 BEAARN O=c1cccnn1Cc1c(F)cccc1Cl ZINC000195420598 183003329 /nfs/dbraw/zinc/00/33/29/183003329.db2.gz SPLRNVKEYQRBAO-UHFFFAOYSA-N 0 0 238.649 2.084 50 0 BEAARN O=c1ccnc(Nc2cccc(Cl)c2)[nH]1 ZINC000001906242 183005006 /nfs/dbraw/zinc/00/50/06/183005006.db2.gz YBOHNQNCXZWDSL-UHFFFAOYSA-N 0 0 221.647 2.167 50 0 BEAARN O=c1ccnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000036882084 183005728 /nfs/dbraw/zinc/00/57/28/183005728.db2.gz LZFFMRSTLMMQPT-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN O=c1oc(-c2ccncc2)nc2ccccc21 ZINC000000506093 183011946 /nfs/dbraw/zinc/01/19/46/183011946.db2.gz XBLCWAWOPGTMSA-UHFFFAOYSA-N 0 0 224.219 2.250 50 0 BEAARN O=c1sc2ccccc2c2nc[nH]c21 ZINC000005687494 183013039 /nfs/dbraw/zinc/01/30/39/183013039.db2.gz SGPWWWNZCOTVPO-UHFFFAOYSA-N 0 0 202.238 2.138 50 0 BEAARN O=c1sc2ccccc2n1CN1CCCC1 ZINC000019606772 183013090 /nfs/dbraw/zinc/01/30/90/183013090.db2.gz CKPVUFOFGTUETG-UHFFFAOYSA-N 0 0 234.324 2.116 50 0 BEAARN OC1CCN(c2snc3ccccc32)CC1 ZINC000058344783 183030123 /nfs/dbraw/zinc/03/01/23/183030123.db2.gz VEDXNUHWYFOOIU-UHFFFAOYSA-N 0 0 234.324 2.257 50 0 BEAARN O=C1NC(=S)SC1=Cc1cccnc1 ZINC000039299529 183024611 /nfs/dbraw/zinc/02/46/11/183024611.db2.gz WCMBSDRTRVIVGG-QPJJXVBHSA-N 0 0 222.294 2.411 50 0 BEAARN OCC1CCN(c2nc3ccccc3o2)CC1 ZINC000040444404 183041131 /nfs/dbraw/zinc/04/11/31/183041131.db2.gz RPMJXQCGFYDCNF-UHFFFAOYSA-N 0 0 232.283 2.037 50 0 BEAARN OCCCOc1ccccc1Br ZINC000019786138 183061633 /nfs/dbraw/zinc/06/16/33/183061633.db2.gz VCPDWUFXIQUZSV-UHFFFAOYSA-N 0 0 231.089 2.210 50 0 BEAARN OCCCc1cc(-c2ccccc2)n[nH]1 ZINC000004301700 183064344 /nfs/dbraw/zinc/06/43/44/183064344.db2.gz FLAGTEWKRZLAAU-UHFFFAOYSA-N 0 0 202.257 2.002 50 0 BEAARN OCCCc1cnc(-c2ccccc2)nc1 ZINC000206582563 183065184 /nfs/dbraw/zinc/06/51/84/183065184.db2.gz JRVCRGINNLILQN-UHFFFAOYSA-N 0 0 214.268 2.069 50 0 BEAARN OCCN(Cc1ccco1)c1ccccc1 ZINC000095963686 183071082 /nfs/dbraw/zinc/07/10/82/183071082.db2.gz DKDXMKIFTLIXHA-UHFFFAOYSA-N 0 0 217.268 2.279 50 0 BEAARN OCCNc1ccc(/C=C/c2ccccc2)nn1 ZINC000065426066 183080842 /nfs/dbraw/zinc/08/08/42/183080842.db2.gz QAJYIQORAAQNEX-VOTSOKGWSA-N 0 0 241.294 2.051 50 0 BEAARN OCCOc1ccc(OCC2CCC2)cc1 ZINC000096483919 183087930 /nfs/dbraw/zinc/08/79/30/183087930.db2.gz BIRRBVRSGCDDJR-UHFFFAOYSA-N 0 0 222.284 2.237 50 0 BEAARN CCCC[C@H](CC)C(=O)N[C@H](C)COC ZINC000002852138 168995228 /nfs/dbraw/zinc/99/52/28/168995228.db2.gz BHBAUXGHDXYXHR-MNOVXSKESA-N 0 0 215.337 2.354 50 0 BEAARN CCCC[C@H](CC)CNC(=O)CC(C)=O ZINC000002166631 168997495 /nfs/dbraw/zinc/99/74/95/168997495.db2.gz FVFRXXNXIQJSEB-NSHDSACASA-N 0 0 213.321 2.298 50 0 BEAARN CCCC[C@H]1CCC[C@H]1NC(=O)COC ZINC000068710557 169014279 /nfs/dbraw/zinc/01/42/79/169014279.db2.gz OUJYZIBTFZBTPL-WDEREUQCSA-N 0 0 213.321 2.108 50 0 BEAARN CCCC[C@H](CC)[C@@H]1OC(=O)[C@H](C)O1 ZINC000016998675 169000687 /nfs/dbraw/zinc/00/06/87/169000687.db2.gz OXGGCDPISRUOIL-QXEWZRGKSA-N 0 0 200.278 2.491 50 0 BEAARN CCCCc1c(O)nc2cc(C)ccn2c1=O ZINC000017029162 169018396 /nfs/dbraw/zinc/01/83/96/169018396.db2.gz GKUAHPGUGDRNNB-UHFFFAOYSA-N 0 0 232.283 2.051 50 0 BEAARN CCCCc1ccc(NC(=O)C(=O)NCC)cc1 ZINC000002343573 169020408 /nfs/dbraw/zinc/02/04/08/169020408.db2.gz NBODTLZZMOUFIZ-UHFFFAOYSA-N 0 0 248.326 2.104 50 0 BEAARN CCCCc1ccc2c(N)c(C(N)=O)sc2n1 ZINC000002300525 169024315 /nfs/dbraw/zinc/02/43/15/169024315.db2.gz LZLDKSOEKVHFIT-UHFFFAOYSA-N 0 0 249.339 2.320 50 0 BEAARN CCCC[S@@](=O)Cc1nc(C(C)(C)C)no1 ZINC000086967015 169016821 /nfs/dbraw/zinc/01/68/21/169016821.db2.gz KFLHMFGOAATJDS-INIZCTEOSA-N 0 0 244.360 2.416 50 0 BEAARN OC[C@H]1C=C[C@@H](Nc2ncc(Cl)cc2F)C1 ZINC000079302159 183146782 /nfs/dbraw/zinc/14/67/82/183146782.db2.gz SPUGEWXXZIXALL-IONNQARKSA-N 0 0 242.681 2.223 50 0 BEAARN CCCCn1c2ccccc2[nH]c1=NN ZINC000002533905 169034940 /nfs/dbraw/zinc/03/49/40/169034940.db2.gz MBAOPAPQGSWLMZ-UHFFFAOYSA-N 0 0 204.277 2.122 50 0 BEAARN CCCCn1c2ccccc2nc1NCCO ZINC000002487879 169035124 /nfs/dbraw/zinc/03/51/24/169035124.db2.gz DQRYCBUYLNZQGH-UHFFFAOYSA-N 0 0 233.315 2.241 50 0 aggregator BEAARN CCCCn1nc(-c2ccc(F)cc2)oc1=O ZINC000040485549 169037631 /nfs/dbraw/zinc/03/76/31/169037631.db2.gz APEAURASQFXCRP-UHFFFAOYSA-N 0 0 236.246 2.443 50 0 BEAARN OCc1c[nH]c(=S)n1Cc1cccc(F)c1 ZINC000035537010 183160395 /nfs/dbraw/zinc/16/03/95/183160395.db2.gz GKOGYMVOLBRQTJ-UHFFFAOYSA-N 0 0 238.287 2.225 50 0 BEAARN OCc1cc2cc(Br)cnc2o1 ZINC000039961372 183161224 /nfs/dbraw/zinc/16/12/24/183161224.db2.gz SJASNTWQPIYYBY-UHFFFAOYSA-N 0 0 228.045 2.083 50 0 BEAARN OCc1cc(F)ccc1Br ZINC000002512345 183161990 /nfs/dbraw/zinc/16/19/90/183161990.db2.gz HXGZPMHPSBJMKB-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN OCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000036895116 183162131 /nfs/dbraw/zinc/16/21/31/183162131.db2.gz NPCUCUOERFRAIH-LLVKDONJSA-N 0 0 242.702 2.390 50 0 BEAARN OCc1ccc(OCC(F)(F)F)cc1 ZINC000020031160 183166088 /nfs/dbraw/zinc/16/60/88/183166088.db2.gz UPUNZBFRXMPBEE-UHFFFAOYSA-N 0 0 206.163 2.120 50 0 BEAARN OCc1ccc(OC(F)(F)F)c(F)c1 ZINC000036533697 183166333 /nfs/dbraw/zinc/16/63/33/183166333.db2.gz YWURSIMNFATYRB-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN OCc1cccc(Br)c1F ZINC000016158996 183167368 /nfs/dbraw/zinc/16/73/68/183167368.db2.gz LIZLYZVAYZQVPG-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN OCc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000091696209 183169047 /nfs/dbraw/zinc/16/90/47/183169047.db2.gz GKMJIUZSWDMSNU-UHFFFAOYSA-N 0 0 208.648 2.222 50 0 BEAARN O[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000072206483 183199629 /nfs/dbraw/zinc/19/96/29/183199629.db2.gz VXAGQCJOIGKVLU-SNVBAGLBSA-N 0 0 242.116 2.020 50 0 BEAARN O[C@@H]1CCc2c1cccc2Br ZINC000039603418 183206679 /nfs/dbraw/zinc/20/66/79/183206679.db2.gz RNXQQZNOSYBFTN-SECBINFHSA-N 0 0 213.074 2.429 50 0 BEAARN O[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000388745 183185403 /nfs/dbraw/zinc/18/54/03/183185403.db2.gz IHPDTPWNFBQHEB-KBPBESRZSA-N 0 0 214.264 2.454 50 0 in-vitro BEAARN O[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000012359951 183185430 /nfs/dbraw/zinc/18/54/30/183185430.db2.gz IHPDTPWNFBQHEB-OKILXGFUSA-N 0 0 214.264 2.454 50 0 in-vitro BEAARN O[C@@H](c1cccnc1)C(F)(F)C(F)(F)F ZINC000004244913 183187196 /nfs/dbraw/zinc/18/71/96/183187196.db2.gz XASFXLDZYRSUBH-LURJTMIESA-N 0 0 227.132 2.313 50 0 BEAARN O[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000020600130 183193312 /nfs/dbraw/zinc/19/33/12/183193312.db2.gz VRWFLUYNBVBAGD-MRVPVSSYSA-N 0 0 231.748 2.358 50 0 BEAARN O[C@@H]1CCC[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000195575397 183195006 /nfs/dbraw/zinc/19/50/06/183195006.db2.gz BWPFKUINQLEOGW-DTWKUNHWSA-N 0 0 244.241 2.008 50 0 BEAARN O[C@H](c1cccnc1)C(F)(F)C(F)(F)F ZINC000002528688 183230284 /nfs/dbraw/zinc/23/02/84/183230284.db2.gz XASFXLDZYRSUBH-ZCFIWIBFSA-N 0 0 227.132 2.313 50 0 BEAARN CCC[N@H+](CC(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000083662684 169099536 /nfs/dbraw/zinc/09/95/36/169099536.db2.gz HJQQZBLRSBBBIR-CQSZACIVSA-N 0 0 247.338 2.341 50 0 BEAARN O[C@H]1CCC[C@H]1Nc1ccncc1Cl ZINC000097104650 183237946 /nfs/dbraw/zinc/23/79/46/183237946.db2.gz QIQBHGUBPIHVQU-ZJUUUORDSA-N 0 0 212.680 2.060 50 0 BEAARN O[C@H]1CCc2cc(Br)ccc21 ZINC000021299025 183242042 /nfs/dbraw/zinc/24/20/42/183242042.db2.gz DRXIUUZVRAOHBS-VIFPVBQESA-N 0 0 213.074 2.429 50 0 BEAARN O[C@H]1CNc2c1cc(F)cc2Br ZINC000169725900 183245995 /nfs/dbraw/zinc/24/59/95/183245995.db2.gz FOBWYSNIFMNMBO-ZETCQYMHSA-N 0 0 232.052 2.047 50 0 BEAARN O[C@H]1c2ccccc2-c2ccccc2[C@@H]1O ZINC000000334022 183248943 /nfs/dbraw/zinc/24/89/43/183248943.db2.gz MFXNBQWUTDDOKE-KBPBESRZSA-N 0 0 212.248 2.434 50 0 in-vitro BEAARN O[C@H]1Cc2ccccc2[C@H]1Sc1ncccn1 ZINC000005776525 183249439 /nfs/dbraw/zinc/24/94/39/183249439.db2.gz RXDRIZZIYOZLNK-NWDGAFQWSA-N 0 0 244.319 2.227 50 0 BEAARN O[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000025369395 183235090 /nfs/dbraw/zinc/23/50/90/183235090.db2.gz XGDWWUXZYYFYIX-VIFPVBQESA-N 0 0 234.324 2.257 50 0 BEAARN O=c1ccc(Cc2ccccc2Cl)n[nH]1 ZINC000004024244 183271569 /nfs/dbraw/zinc/27/15/69/183271569.db2.gz HZVIVYZGLWMDKM-UHFFFAOYSA-N 0 0 220.659 2.426 50 0 BEAARN Oc1ccc(F)c(I)c1 ZINC000088342653 183273954 /nfs/dbraw/zinc/27/39/54/183273954.db2.gz QMDMLMOPLZBFTC-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN Oc1ccc(-c2ccc(O)cc2O)c(O)c1 ZINC000000394642 183263859 /nfs/dbraw/zinc/26/38/59/183263859.db2.gz CFGDTWRKBRQUFB-UHFFFAOYSA-N 0 0 218.208 2.176 50 0 BEAARN Oc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000000081023 183264011 /nfs/dbraw/zinc/26/40/11/183264011.db2.gz ZAKNXVYBQHMJDW-UHFFFAOYSA-N 0 0 218.281 2.361 50 0 BEAARN Oc1cnc(-c2ccc(-c3cn[nH]c3)cc2)nc1 ZINC000032587126 183305844 /nfs/dbraw/zinc/30/58/44/183305844.db2.gz GHNGTPMMCSTZQR-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN Oc1cccc(CNc2ccccn2)c1 ZINC000019776920 183291334 /nfs/dbraw/zinc/29/13/34/183291334.db2.gz ZGLJYAOGVJLKLM-UHFFFAOYSA-N 0 0 200.241 2.399 50 0 BEAARN S=c1nncc(-c2ccc(Cl)cc2)[nH]1 ZINC000020096074 183316418 /nfs/dbraw/zinc/31/64/18/183316418.db2.gz CYPKWUXCYMZWGH-UHFFFAOYSA-N 0 0 223.688 2.481 50 0 BEAARN CCCN1c2ccc(Cl)cc2C(=O)C1=O ZINC000004554732 169183596 /nfs/dbraw/zinc/18/35/96/169183596.db2.gz UBUDFCOJUVSSHV-UHFFFAOYSA-N 0 0 223.659 2.279 50 0 BEAARN CCCN1c2ccccc2N(C(C)=O)CCC1=O ZINC000000268911 169183824 /nfs/dbraw/zinc/18/38/24/169183824.db2.gz MBBOFTYMXSDSIJ-UHFFFAOYSA-N 0 0 246.310 2.186 50 0 BEAARN CCCN1C(=O)C[C@H](c2ccc(C)cc2)NC1=O ZINC000039042790 169184213 /nfs/dbraw/zinc/18/42/13/169184213.db2.gz OWMKBYZUSHPFPF-GFCCVEGCSA-N 0 0 246.310 2.388 50 0 BEAARN [O-][n+]1cccc(Oc2ccccc2F)c1 ZINC000071773329 183318946 /nfs/dbraw/zinc/31/89/46/183318946.db2.gz NDIGRNJFASLSQR-UHFFFAOYSA-N 0 0 205.188 2.251 50 0 BEAARN c1cc(-c2nc([C@@H]3CCOC3)no2)n(C2CC2)c1 ZINC000096165523 183331035 /nfs/dbraw/zinc/33/10/35/183331035.db2.gz XLWBAWJSJSIQGU-SECBINFHSA-N 0 0 245.282 2.377 50 0 BEAARN c1cc(-c2nnc(C3CCC3)o2)ccn1 ZINC000064556846 183331896 /nfs/dbraw/zinc/33/18/96/183331896.db2.gz ZNHUDRUOFFQNLL-UHFFFAOYSA-N 0 0 201.229 2.399 50 0 BEAARN O=c1[nH][nH]c2ccc(Br)cc12 ZINC000014983563 183307406 /nfs/dbraw/zinc/30/74/06/183307406.db2.gz LHZCARQYJVMUOK-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN S=C(Nc1ccccc1)N1CCCC1 ZINC000000301561 183311198 /nfs/dbraw/zinc/31/11/98/183311198.db2.gz FZFGHBFTQNIGDS-UHFFFAOYSA-N 0 0 206.314 2.479 50 0 BEAARN S=C(NC1=NCCS1)Nc1ccccc1 ZINC000000439037 183311396 /nfs/dbraw/zinc/31/13/96/183311396.db2.gz GWKKBCUYRXAISW-UHFFFAOYSA-N 0 0 237.353 2.076 50 0 BEAARN S=C1N(c2ccccc2)C[C@H]2CCCN12 ZINC000000335094 183312101 /nfs/dbraw/zinc/31/21/01/183312101.db2.gz DYNGAEFTHPKTMO-LLVKDONJSA-N 0 0 218.325 2.256 50 0 BEAARN S=C(Oc1ccccn1)Oc1ccccn1 ZINC000000120531 183312775 /nfs/dbraw/zinc/31/27/75/183312775.db2.gz IKYOVSVBLHGFMA-UHFFFAOYSA-N 0 0 232.264 2.219 50 0 BEAARN S=C1SCN(CC2CC2)CN1CC1CC1 ZINC000020223449 183313272 /nfs/dbraw/zinc/31/32/72/183313272.db2.gz OWWCVXXHBITLBA-UHFFFAOYSA-N 0 0 242.413 2.357 50 0 BEAARN CCCNC(=O)Cn1c(CC)nc2ccccc21 ZINC000032497903 169233313 /nfs/dbraw/zinc/23/33/13/169233313.db2.gz JYCQRLLHMRITDH-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN CCCNC(=O)Cn1ccc2cc(OC)ccc21 ZINC000032930878 169233428 /nfs/dbraw/zinc/23/34/28/169233428.db2.gz IVPCXNSTYUFREL-UHFFFAOYSA-N 0 0 246.310 2.176 50 0 BEAARN CCCNC(=O)CCNc1ccccc1C ZINC000058407266 169217825 /nfs/dbraw/zinc/21/78/25/169217825.db2.gz CUOGZKWGDIENOM-UHFFFAOYSA-N 0 0 220.316 2.323 50 0 BEAARN CCCNC(=O)Nc1cc(C)cc(C)n1 ZINC000006715696 169239239 /nfs/dbraw/zinc/23/92/39/169239239.db2.gz OJVPQSXHZKNKAW-UHFFFAOYSA-N 0 0 207.277 2.230 50 0 BEAARN CCCNC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000006698876 169240145 /nfs/dbraw/zinc/24/01/45/169240145.db2.gz IMWNVJSGGWPCGQ-UHFFFAOYSA-N 0 0 235.287 2.177 50 0 BEAARN CCCNC(=O)[C@H](C)Sc1nc(C)cs1 ZINC000032776063 169247450 /nfs/dbraw/zinc/24/74/50/169247450.db2.gz MTZRIKXGTWZRDQ-QMMMGPOBSA-N 0 0 244.385 2.458 50 0 BEAARN CCCNC(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000003907760 169249420 /nfs/dbraw/zinc/24/94/20/169249420.db2.gz MOHPDCNQFSHYAD-UHFFFAOYSA-N 0 0 246.266 2.187 50 0 BEAARN CCCNC(=O)c1ccc(-c2ccncc2)nc1 ZINC000019812238 169250704 /nfs/dbraw/zinc/25/07/04/169250704.db2.gz ICNBWZNIJZUJBR-UHFFFAOYSA-N 0 0 241.294 2.283 50 0 BEAARN CCCNC(=O)c1cccc(C(=O)OCC)c1 ZINC000158004570 169252679 /nfs/dbraw/zinc/25/26/79/169252679.db2.gz OPDMDCFIZQTXMB-UHFFFAOYSA-N 0 0 235.283 2.003 50 0 BEAARN CCCNC(=O)c1cccc(NC(=O)CC)c1 ZINC000012138827 169252820 /nfs/dbraw/zinc/25/28/20/169252820.db2.gz KALVCYZHNPRINT-UHFFFAOYSA-N 0 0 234.299 2.175 50 0 BEAARN CCCNC(=O)c1cncn1-c1ccc(F)cc1 ZINC000012535379 169253054 /nfs/dbraw/zinc/25/30/54/169253054.db2.gz XWPQNBXBAMHKNK-UHFFFAOYSA-N 0 0 247.273 2.151 50 0 BEAARN CCCNS(=O)(=O)c1cccc(Cl)c1C ZINC000037064507 169272246 /nfs/dbraw/zinc/27/22/46/169272246.db2.gz VNEQGYVZEGAYBC-UHFFFAOYSA-N 0 0 247.747 2.337 50 0 BEAARN CCCOC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000033943942 169299417 /nfs/dbraw/zinc/29/94/17/169299417.db2.gz KTFMVDMFVPROET-JTQLQIEISA-N 0 0 241.331 2.025 50 0 BEAARN CCCOC(=O)c1ccc(NC(=O)OC)cc1 ZINC000002950790 169300277 /nfs/dbraw/zinc/30/02/77/169300277.db2.gz OXYSWRCBKSRKAT-UHFFFAOYSA-N 0 0 237.255 2.432 50 0 BEAARN c1n[nH]cc1CCSc1ccccn1 ZINC000253425442 183423517 /nfs/dbraw/zinc/42/35/17/183423517.db2.gz BZOPHMCLIJEPQP-UHFFFAOYSA-N 0 0 205.286 2.140 50 0 BEAARN CCCO[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000067110437 169312184 /nfs/dbraw/zinc/31/21/84/169312184.db2.gz BQVHELDIJUZQHE-ZDUSSCGKSA-N 0 0 248.326 2.113 50 0 BEAARN c1[nH]c2ccccc2c1CCNc1ncncn1 ZINC000219776861 183436745 /nfs/dbraw/zinc/43/67/45/183436745.db2.gz AKWGNJBNHPRGBH-UHFFFAOYSA-N 0 0 239.282 2.008 50 0 BEAARN CCCNc1nc(C2CC2)nc2c(C)nn(C)c21 ZINC000057355998 169295682 /nfs/dbraw/zinc/29/56/82/169295682.db2.gz CVLYGBNXCPTGRZ-UHFFFAOYSA-N 0 0 245.330 2.371 50 0 BEAARN CCCNc1nn2cnnc2c2ccccc21 ZINC000027913260 169297077 /nfs/dbraw/zinc/29/70/77/169297077.db2.gz ADWNZRAEVCLQBV-UHFFFAOYSA-N 0 0 227.271 2.099 50 0 BEAARN CCCSc1cc(N)ccc1C(=O)NC ZINC000022863164 169341551 /nfs/dbraw/zinc/34/15/51/169341551.db2.gz FKVQSVYOHSWHCC-UHFFFAOYSA-N 0 0 224.329 2.131 50 0 BEAARN CCCSc1nc2ccccc2c(=O)n1C ZINC000004838112 169342102 /nfs/dbraw/zinc/34/21/02/169342102.db2.gz OAJIZBNZFPPQIS-UHFFFAOYSA-N 0 0 234.324 2.436 50 0 BEAARN CCCSc1nnc(NC(=O)CC)s1 ZINC000004723896 169342231 /nfs/dbraw/zinc/34/22/31/169342231.db2.gz WDWXKBMOPFQMFO-UHFFFAOYSA-N 0 0 231.346 2.389 50 0 BEAARN CCC[C@@H](C(=O)N(CC)CCO)c1ccccc1 ZINC000098075358 169342797 /nfs/dbraw/zinc/34/27/97/169342797.db2.gz AHZIYYIKLKEOIX-CQSZACIVSA-N 0 0 249.354 2.411 50 0 BEAARN CCCOc1ccc(Cl)cc1C(N)=O ZINC000008328089 169319209 /nfs/dbraw/zinc/31/92/09/169319209.db2.gz XNKDBVQUJLOKKU-UHFFFAOYSA-N 0 0 213.664 2.228 50 0 BEAARN c1ccc2c(c1)ccc1c2[C@@H]2NOC[C@H]2CO1 ZINC000004040075 183457722 /nfs/dbraw/zinc/45/77/22/183457722.db2.gz QAXKEZGOMLRGLA-QMTHXVAHSA-N 0 0 227.263 2.424 50 0 BEAARN c1ccc2sc(N3CCCO3)nc2c1 ZINC000097108361 183462111 /nfs/dbraw/zinc/46/21/11/183462111.db2.gz NHKSVJHYMWYCCI-UHFFFAOYSA-N 0 0 206.270 2.438 50 0 BEAARN CCCS(=O)(=O)N[C@@H](C)c1ccc(C)s1 ZINC000048959767 169333538 /nfs/dbraw/zinc/33/35/38/169333538.db2.gz BYNUAGBPHNCTGZ-VIFPVBQESA-N 0 0 247.385 2.447 50 0 BEAARN CCCS(=O)(=O)c1ccc(Cl)cc1N ZINC000004727599 169334929 /nfs/dbraw/zinc/33/49/29/169334929.db2.gz VQIVYYDFGMSPGJ-UHFFFAOYSA-N 0 0 233.720 2.106 50 0 BEAARN CCC[C@@H](C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000000562989 169368503 /nfs/dbraw/zinc/36/85/03/169368503.db2.gz JWRKAQPOAMYJPL-MFKMUULPSA-N 0 0 249.310 2.131 50 0 BEAARN CCC[C@@H](C)NC(=O)c1ccc2c(c1)OCO2 ZINC000005793864 169369096 /nfs/dbraw/zinc/36/90/96/169369096.db2.gz DRRCSWOUVIFVIG-SECBINFHSA-N 0 0 235.283 2.334 50 0 BEAARN c1cn(-c2ccc(-c3cc[nH]n3)cc2)cn1 ZINC000001402339 183466336 /nfs/dbraw/zinc/46/63/36/183466336.db2.gz UFXSELGOGDVWDO-UHFFFAOYSA-N 0 0 210.240 2.262 50 0 BEAARN c1cn2cc(-c3nc(C4CC4)n[nH]3)nc2s1 ZINC000065409274 183475633 /nfs/dbraw/zinc/47/56/33/183475633.db2.gz ACFAJOAQINSIAC-UHFFFAOYSA-N 0 0 231.284 2.058 50 0 BEAARN CCSc1ccc(N)cc1C(=O)OC ZINC000041046158 170655719 /nfs/dbraw/zinc/65/57/19/170655719.db2.gz PBLOUACUVKTPMR-UHFFFAOYSA-N 0 0 211.286 2.167 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(CCO)CC1 ZINC000000404091 166646938 /nfs/dbraw/zinc/64/69/38/166646938.db2.gz YBNJZIDYXCGAPX-UHFFFAOYSA-N 0 0 229.320 2.016 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)C[C@H]2C1 ZINC000083338894 166651933 /nfs/dbraw/zinc/65/19/33/166651933.db2.gz WUSRHFOXQKJMKP-ZJUUUORDSA-N 0 0 239.315 2.223 50 0 BEAARN CCC[C@H](C)C(=O)Nc1nnc(CC)s1 ZINC000006779247 169474792 /nfs/dbraw/zinc/47/47/92/169474792.db2.gz MJSJEZGTTOTMOR-ZETCQYMHSA-N 0 0 227.333 2.475 50 0 BEAARN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC ZINC000044137746 169506813 /nfs/dbraw/zinc/50/68/13/169506813.db2.gz JGTWGAQDMLFVDX-VIFPVBQESA-N 0 0 245.319 2.243 50 0 BEAARN CCCc1cc(C(=O)NCc2cccs2)[nH]n1 ZINC000029709674 169564067 /nfs/dbraw/zinc/56/40/67/169564067.db2.gz YZTSPCCHYVXPAM-UHFFFAOYSA-N 0 0 249.339 2.354 50 0 BEAARN CCCc1cnc(NCc2ccnn2C)s1 ZINC000097114525 169579782 /nfs/dbraw/zinc/57/97/82/169579782.db2.gz KNOGDMGMHWAVHG-UHFFFAOYSA-N 0 0 236.344 2.441 50 0 BEAARN CCCc1nc(C)c2c(=O)n(CC(C)C)ccn12 ZINC000065240073 169587362 /nfs/dbraw/zinc/58/73/62/169587362.db2.gz SAKGNDDPHGUWQT-UHFFFAOYSA-N 0 0 247.342 2.413 50 0 BEAARN CCCc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000004316598 169591320 /nfs/dbraw/zinc/59/13/20/169591320.db2.gz ISETUAPVRQECHP-UHFFFAOYSA-N 0 0 242.282 2.489 50 0 BEAARN CCN(C(=O)C1CC1)c1ncccc1C ZINC000253430771 169630473 /nfs/dbraw/zinc/63/04/73/169630473.db2.gz LNMDPDYOPYYAQO-UHFFFAOYSA-N 0 0 204.273 2.153 50 0 BEAARN CCN(C(=O)Nc1cccnc1OC)C1CC1 ZINC000048276650 169646426 /nfs/dbraw/zinc/64/64/26/169646426.db2.gz MIMWYRNQPLLNSV-UHFFFAOYSA-N 0 0 235.287 2.106 50 0 BEAARN CCN(C(=O)c1coc2ccccc12)[C@H](C)CO ZINC000071388621 169661959 /nfs/dbraw/zinc/66/19/59/169661959.db2.gz YQDJRKIVEUZXBH-SNVBAGLBSA-N 0 0 247.294 2.276 50 0 BEAARN CC(=O)c1ccc(I)cc1 ZINC000000160546 383835648 /nfs/dbraw/zinc/83/56/48/383835648.db2.gz JZJWCDQGIPQBAO-UHFFFAOYSA-N 0 0 246.047 2.494 50 0 BEAARN CCc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)s1 ZINC000000205124 383843103 /nfs/dbraw/zinc/84/31/03/383843103.db2.gz BFIUXTYFWMAWJJ-IONNQARKSA-N 0 0 243.353 2.099 50 0 BEAARN O=c1[nH]ccc2scc(Br)c21 ZINC000066055103 383844021 /nfs/dbraw/zinc/84/40/21/383844021.db2.gz AMWQWPCIUPRUFH-UHFFFAOYSA-N 0 0 230.086 2.352 50 0 BEAARN COC(=O)c1cc2cc(Cl)c[nH]c-2n1 ZINC000035269939 383845405 /nfs/dbraw/zinc/84/54/05/383845405.db2.gz OMFINIKIHUOPAQ-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN Cc1nc(=O)c(-c2ccccc2)c(C)n1C ZINC000000227617 383845844 /nfs/dbraw/zinc/84/58/44/383845844.db2.gz IUCHSGJXMDBKCJ-UHFFFAOYSA-N 0 0 214.268 2.064 50 0 BEAARN O=Cc1ccccc1OCc1ccccn1 ZINC000000253697 383847030 /nfs/dbraw/zinc/84/70/30/383847030.db2.gz LWNJUMGCXIAKPI-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN CC(C)=C1N=C(c2ccccc2)OC1=O ZINC000000259441 383848931 /nfs/dbraw/zinc/84/89/31/383848931.db2.gz FSYXZIPYOMWJOP-UHFFFAOYSA-N 0 0 201.225 2.284 50 0 biogenic BEAARN c1nnnn1-c1ccc(Oc2ccccc2)cc1 ZINC000000275925 383850481 /nfs/dbraw/zinc/85/04/81/383850481.db2.gz GBCTYXFSSLOKFI-UHFFFAOYSA-N 0 0 238.250 2.455 50 0 BEAARN Cc1ccc(C)c(NC(=O)c2cnccn2)c1 ZINC000000311456 383853221 /nfs/dbraw/zinc/85/32/21/383853221.db2.gz JDNNDOFIUBJGIQ-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN COC(=O)c1ccc(NC=O)c2ccccc12 ZINC000000332315 383853789 /nfs/dbraw/zinc/85/37/89/383853789.db2.gz FTSGJDCDGLSUMO-UHFFFAOYSA-N 0 0 229.235 2.195 50 0 BEAARN CC(=O)c1cc(C(C)=O)cc(C(C)=O)c1 ZINC000000332343 383854185 /nfs/dbraw/zinc/85/41/85/383854185.db2.gz HSOAIPRTHLEQFI-UHFFFAOYSA-N 0 0 204.225 2.294 50 0 BEAARN CCN(CC)c1ccc2oc(=O)c(C)nc2c1 ZINC000000351944 383855558 /nfs/dbraw/zinc/85/55/58/383855558.db2.gz BZXSPQQTKVLHBT-UHFFFAOYSA-N 0 0 232.283 2.343 50 0 BEAARN CCC[C@@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345808 383856174 /nfs/dbraw/zinc/85/61/74/383856174.db2.gz CUTUPAFHGKKFBU-NEPJUHHUSA-N 0 0 247.294 2.357 50 0 BEAARN CC(=O)c1sc(N)c(C(=O)OC(C)C)c1C ZINC000000333527 383856493 /nfs/dbraw/zinc/85/64/93/383856493.db2.gz MMLYDUHLPHZZMW-UHFFFAOYSA-N 0 0 241.312 2.407 50 0 BEAARN CC(=O)c1ccc(C(=O)NCc2ccco2)cc1 ZINC000000382013 383861460 /nfs/dbraw/zinc/86/14/60/383861460.db2.gz NPRKFMQOISFKRA-UHFFFAOYSA-N 0 0 243.262 2.412 50 0 BEAARN Cc1ccc(S(=O)(=O)n2cccc2)cc1 ZINC000000403153 383863276 /nfs/dbraw/zinc/86/32/76/383863276.db2.gz OXWIEWFMRVJGNY-UHFFFAOYSA-N 0 0 221.281 2.034 50 0 in-vitro BEAARN CCOC(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000000393679 383863912 /nfs/dbraw/zinc/86/39/12/383863912.db2.gz KOACXUOASKUNMQ-RYUDHWBXSA-N 0 0 204.269 2.428 50 0 BEAARN CS(=O)(=O)Cc1cccc2ccccc21 ZINC000000399779 383864594 /nfs/dbraw/zinc/86/45/94/383864594.db2.gz NSWFAAUJPDWQKN-UHFFFAOYSA-N 0 0 220.293 2.384 50 0 BEAARN CC(=O)Nc1ncc(Br)cc1C ZINC000000481320 383872475 /nfs/dbraw/zinc/87/24/75/383872475.db2.gz HBZDMVSJHVZHKC-UHFFFAOYSA-N 0 0 229.077 2.111 50 0 BEAARN c1ccc([C@@H]2CN3CCSC3=N2)cc1 ZINC000000119842 383831253 /nfs/dbraw/zinc/83/12/53/383831253.db2.gz HLFSDGLLUJUHTE-JTQLQIEISA-N 0 0 204.298 2.146 50 0 in-man BEAARN COC(=O)c1ccc(Br)cc1F ZINC000035114735 383831518 /nfs/dbraw/zinc/83/15/18/383831518.db2.gz DLILIUSWDLJMCE-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN O=C1c2ccccc2C(=O)N1c1ccccc1O ZINC000000148440 383833198 /nfs/dbraw/zinc/83/31/98/383833198.db2.gz JLBSEGLKCFPNGS-UHFFFAOYSA-N 0 0 239.230 2.193 50 0 BEAARN COC(=O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000096742746 383916191 /nfs/dbraw/zinc/91/61/91/383916191.db2.gz CMVFFHQNGPTDLD-QMMMGPOBSA-N 0 0 243.253 2.131 50 0 BEAARN Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001672923 383920309 /nfs/dbraw/zinc/92/03/09/383920309.db2.gz NTRNCDBHKIJOLA-UHFFFAOYSA-N 0 0 245.673 2.051 50 0 BEAARN CC(C)(C)c1nnc2cc(Cl)ncn21 ZINC000036903817 383920361 /nfs/dbraw/zinc/92/03/61/383920361.db2.gz VROUGZXQSCJFOS-UHFFFAOYSA-N 0 0 210.668 2.075 50 0 BEAARN CN(CCCC1CCCC1)C(=O)c1cnon1 ZINC000067514777 383925811 /nfs/dbraw/zinc/92/58/11/383925811.db2.gz KMVXBGKGMSXCMF-UHFFFAOYSA-N 0 0 237.303 2.112 50 0 BEAARN COC(=O)c1c(N)scc1-c1ccco1 ZINC000001099233 383889064 /nfs/dbraw/zinc/88/90/64/383889064.db2.gz WTZRPPAFHJSSHC-UHFFFAOYSA-N 0 0 223.253 2.377 50 0 BEAARN Cc1cc(C(=O)Nc2nncs2)c(C)o1 ZINC000001052139 383889233 /nfs/dbraw/zinc/88/92/33/383889233.db2.gz ZHWFUZUHABJQGO-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN O=C(O[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000071883887 383891948 /nfs/dbraw/zinc/89/19/48/383891948.db2.gz DHJDUNRDTGSXLY-JTQLQIEISA-N 0 0 226.659 2.286 50 0 BEAARN C[C@H](NC(N)=O)c1ccc(Br)cc1 ZINC000001431602 383898870 /nfs/dbraw/zinc/89/88/70/383898870.db2.gz KLTATGRFJLWOHB-LURJTMIESA-N 0 0 243.104 2.178 50 0 BEAARN Cc1ccc2oc(C(=O)N(C)C)cc2c1 ZINC000070263945 383900887 /nfs/dbraw/zinc/90/08/87/383900887.db2.gz JTZICDIOYPRMED-UHFFFAOYSA-N 0 0 203.241 2.443 50 0 BEAARN O=Cc1cccn1-c1ccc(Cl)cn1 ZINC000001527091 383901595 /nfs/dbraw/zinc/90/15/95/383901595.db2.gz APDJJBTYTZZQIT-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN C[C@H](NC1=[NH+]CCS1)c1ccccc1 ZINC000003239378 384002114 /nfs/dbraw/zinc/00/21/14/384002114.db2.gz JXFZUEXOEBPBHP-VIFPVBQESA-N 0 0 206.314 2.440 50 0 BEAARN COC(=O)c1cc2[nH]ccc(Cl)c-2n1 ZINC000037593642 383986997 /nfs/dbraw/zinc/98/69/97/383986997.db2.gz DQBUZBSXMBSOIM-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 in-vitro BEAARN c1ccc(Cn2nnc3ccccc32)cc1 ZINC000002913586 383992905 /nfs/dbraw/zinc/99/29/05/383992905.db2.gz OQVSPZZIBWDHOF-UHFFFAOYSA-N 0 0 209.252 2.480 50 0 BEAARN CN(Cc1cnn(C)c1)c1ccncc1Cl ZINC000089755731 383993297 /nfs/dbraw/zinc/99/32/97/383993297.db2.gz GYQJKNXJUWISBU-UHFFFAOYSA-N 0 0 236.706 2.105 50 0 BEAARN Cc1cnc(NCc2cccn2C)s1 ZINC000134991771 383998605 /nfs/dbraw/zinc/99/86/05/383998605.db2.gz NWRVWKJLZVJFOI-UHFFFAOYSA-N 0 0 207.302 2.402 50 0 BEAARN c1ccc(OCc2nc([C@H]3CCOC3)no2)cc1 ZINC000089845807 383999333 /nfs/dbraw/zinc/99/93/33/383999333.db2.gz PKSLXOMJSHDVQX-JTQLQIEISA-N 0 0 246.266 2.153 50 0 BEAARN Cc1noc(C2(c3ccccc3)CCOCC2)n1 ZINC000071890018 383948726 /nfs/dbraw/zinc/94/87/26/383948726.db2.gz ALIKMTOWXWDSDJ-UHFFFAOYSA-N 0 0 244.294 2.475 50 0 BEAARN CCN(CC)[P@]1(=O)OC(C)(C)C[C@]1(C)O ZINC000000231788 383951217 /nfs/dbraw/zinc/95/12/17/383951217.db2.gz REQUQJQPNHWTGW-MEBBXXQBSA-N 0 0 235.264 2.429 50 0 BEAARN COC(=N)NC(=O)Nc1ccc(Cl)cc1 ZINC000071773836 384000606 /nfs/dbraw/zinc/00/06/06/384000606.db2.gz BMKVLABJSYTKHC-UHFFFAOYSA-N 0 0 227.651 2.043 50 0 BEAARN C[NH2+][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000037180891 383954304 /nfs/dbraw/zinc/95/43/04/383954304.db2.gz XTGACMQDOADNHH-QMMMGPOBSA-N 0 0 234.082 2.339 50 0 biogenic BEAARN Cc1cc(NC(=O)c2cc(CC(C)C)on2)no1 ZINC000002498105 383966688 /nfs/dbraw/zinc/96/66/88/383966688.db2.gz ARUFARLPAYCTLL-UHFFFAOYSA-N 0 0 249.270 2.422 50 0 aggregator BEAARN O=Cc1sc(N2CCCC2)nc1Cl ZINC000002507506 383967554 /nfs/dbraw/zinc/96/75/54/383967554.db2.gz RNCWKOPQPWDUBD-UHFFFAOYSA-N 0 0 216.693 2.209 50 0 BEAARN Cc1cc(NC(=O)c2cc(C3CC3)on2)no1 ZINC000002497980 383967665 /nfs/dbraw/zinc/96/76/65/383967665.db2.gz GAPDGVAUSNJJHP-UHFFFAOYSA-N 0 0 233.227 2.101 50 0 BEAARN COC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000002547789 383974405 /nfs/dbraw/zinc/97/44/05/383974405.db2.gz DZPNABVYGJAIPV-UHFFFAOYSA-N 0 0 224.256 2.269 50 0 BEAARN CCOP(=O)(OCC)c1ccc(C=O)cc1 ZINC000002563670 383976065 /nfs/dbraw/zinc/97/60/65/383976065.db2.gz KQJAWWYLJCTQNG-UHFFFAOYSA-N 0 0 242.211 2.391 50 0 BEAARN CCCCOC(=O)[C@H]1COc2ccccc2O1 ZINC000003290326 384003546 /nfs/dbraw/zinc/00/35/46/384003546.db2.gz JDJZCBAJNHKBDS-GFCCVEGCSA-N 0 0 236.267 2.170 50 0 BEAARN CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000034862827 384006218 /nfs/dbraw/zinc/00/62/18/384006218.db2.gz AMQFZOPFHJQGLB-OPRDCNLKSA-N 0 0 215.362 2.290 50 0 BEAARN c1ccc(Cc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000003382838 384010037 /nfs/dbraw/zinc/01/00/37/384010037.db2.gz JBULHMQUIXZGAO-UHFFFAOYSA-N 0 0 236.278 2.458 50 0 BEAARN Cn1nc(Br)c2ccccc21 ZINC000038540766 384086559 /nfs/dbraw/zinc/08/65/59/384086559.db2.gz NRDWKILCVWZZDP-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Fc1ccc(Cn2ccnn2)c(Cl)c1 ZINC000128019230 384086703 /nfs/dbraw/zinc/08/67/03/384086703.db2.gz UNWAJNGLKBFLOG-UHFFFAOYSA-N 0 0 211.627 2.119 50 0 BEAARN COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000004284680 384055059 /nfs/dbraw/zinc/05/50/59/384055059.db2.gz XSKGHSUHOYEBTK-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000072381437 384058829 /nfs/dbraw/zinc/05/88/29/384058829.db2.gz QEVPEZHUROEIBA-SNVBAGLBSA-N 0 0 224.329 2.177 50 0 BEAARN FC(F)Oc1cncc(Br)c1 ZINC000070043562 384074958 /nfs/dbraw/zinc/07/49/58/384074958.db2.gz PGQKUYBGLPHSLA-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN C[S@](=O)c1cccc(Br)c1 ZINC000038212837 384078139 /nfs/dbraw/zinc/07/81/39/384078139.db2.gz FAGYVSVOUYMGTM-SNVBAGLBSA-N 0 0 219.103 2.187 50 0 BEAARN COc1nsc(Nc2ccccc2)n1 ZINC000004773255 384080307 /nfs/dbraw/zinc/08/03/07/384080307.db2.gz FNXPHVCUFRXVTR-UHFFFAOYSA-N 0 0 207.258 2.290 50 0 BEAARN CC(=O)c1cn(-c2ccccc2)nc1C(C)=O ZINC000000347903 384099256 /nfs/dbraw/zinc/09/92/56/384099256.db2.gz RQFUOXVJTMVWCW-UHFFFAOYSA-N 0 0 228.251 2.278 50 0 BEAARN CNS(=O)(=O)c1ccc2cc(C)ccc2c1 ZINC000005234540 384107037 /nfs/dbraw/zinc/10/70/37/384107037.db2.gz GQMNYVKXCHEPTI-UHFFFAOYSA-N 0 0 235.308 2.056 50 0 BEAARN Nc1ncnc2c(Br)csc21 ZINC000091301412 384114872 /nfs/dbraw/zinc/11/48/72/384114872.db2.gz HOIZVIAMXIFSDA-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN O=C1CCc2cc(Br)c(O)cc2N1 ZINC000091294517 384115000 /nfs/dbraw/zinc/11/50/00/384115000.db2.gz WYOOKLVWUVBNQJ-UHFFFAOYSA-N 0 0 242.072 2.039 50 0 BEAARN Cn1ncnc1-c1ccc(CCC(C)(C)O)cc1 ZINC000091616399 384134831 /nfs/dbraw/zinc/13/48/31/384134831.db2.gz RIDISOCPLSFPAE-UHFFFAOYSA-N 0 0 245.326 2.186 50 0 BEAARN CCc1ccc(NC(=O)N2CCOCC2)cc1 ZINC000005471067 384119081 /nfs/dbraw/zinc/11/90/81/384119081.db2.gz LAKDEKVQVRGXFC-UHFFFAOYSA-N 0 0 234.299 2.113 50 0 BEAARN CC(C)CCNC(=O)c1ccc2c(c1)OCO2 ZINC000005632835 384125260 /nfs/dbraw/zinc/12/52/60/384125260.db2.gz GXIKXGAXNFAADL-UHFFFAOYSA-N 0 0 235.283 2.191 50 0 BEAARN CC(C)[C@H]1COC(CC2=N[C@@H](C(C)C)CO2)=N1 ZINC000005633445 384125457 /nfs/dbraw/zinc/12/54/57/384125457.db2.gz KEHOIBBPRFRZFW-GHMZBOCLSA-N 0 0 238.331 2.283 50 0 BEAARN O=C1NC(=O)[C@H](c2cccc(Cl)c2)S1 ZINC000091690446 384137472 /nfs/dbraw/zinc/13/74/72/384137472.db2.gz TURGTQILWPTNBT-ZETCQYMHSA-N 0 0 227.672 2.364 50 0 BEAARN FC(F)(F)c1ccc(Cn2ccnn2)cc1 ZINC000128040096 384127163 /nfs/dbraw/zinc/12/71/63/384127163.db2.gz IOJRXKFGYUFTLK-UHFFFAOYSA-N 0 0 227.189 2.345 50 0 BEAARN CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000005719436 384127319 /nfs/dbraw/zinc/12/73/19/384127319.db2.gz YEPNMSKUQNVBHN-UHFFFAOYSA-N 0 0 239.340 2.034 50 0 BEAARN CCC[C@H](C)NC(=O)c1ccc2c(c1)OCO2 ZINC000005794023 384130427 /nfs/dbraw/zinc/13/04/27/384130427.db2.gz DRRCSWOUVIFVIG-VIFPVBQESA-N 0 0 235.283 2.334 50 0 BEAARN CC(C)Cc1cc(C(=O)N2CCC[C@@H]2C)n(C)n1 ZINC000091859385 384151492 /nfs/dbraw/zinc/15/14/92/384151492.db2.gz HHDZUXWYYLWULK-NSHDSACASA-N 0 0 249.358 2.243 50 0 BEAARN Nc1ccc(C[C@@H]2COc3ccccc3C2)cn1 ZINC000091943743 384154822 /nfs/dbraw/zinc/15/48/22/384154822.db2.gz CMLJDRROYAADDO-LBPRGKRZSA-N 0 0 240.306 2.458 50 0 BEAARN COc1c(N)ccc(Br)c1F ZINC000116834231 384155413 /nfs/dbraw/zinc/15/54/13/384155413.db2.gz QMPCIJTZHLTURH-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN O=c1[nH]cnc2[nH]c3ccc(Cl)cc3c21 ZINC000091692760 384138830 /nfs/dbraw/zinc/13/88/30/384138830.db2.gz VSFXGUSQGSIRIK-UHFFFAOYSA-N 0 0 219.631 2.058 50 0 BEAARN Cn1nc(Cl)cc1NC(=O)OC(C)(C)C ZINC000091691964 384139139 /nfs/dbraw/zinc/13/91/39/384139139.db2.gz QZGMVMPHSSPPJN-UHFFFAOYSA-N 0 0 231.683 2.421 50 0 BEAARN OC[C@H]1C=C(c2ccccc2)C[C@H](CO)C1 ZINC000000366039 384139712 /nfs/dbraw/zinc/13/97/12/384139712.db2.gz TUBSTPQBMRWIND-VXGBXAGGSA-N 0 0 218.296 2.081 50 0 BEAARN Cc1n[nH]c(=S)n1NCc1ccc(C)cc1 ZINC000005968393 384140884 /nfs/dbraw/zinc/14/08/84/384140884.db2.gz FEFBHPDRXIEZGI-UHFFFAOYSA-N 0 0 234.328 2.301 50 0 BEAARN Nc1ccc(-c2cc[nH]c(=S)n2)cc1 ZINC000091695958 384141214 /nfs/dbraw/zinc/14/12/14/384141214.db2.gz NNRFFSXXJVTQNO-UHFFFAOYSA-N 0 0 203.270 2.388 50 0 BEAARN O=C1C2CC(C2)CN1Cc1ccccc1 ZINC000091692917 384141454 /nfs/dbraw/zinc/14/14/54/384141454.db2.gz ZVTFKRPHPDTFOT-UHFFFAOYSA-N 0 0 201.269 2.055 50 0 BEAARN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000002648230 384173527 /nfs/dbraw/zinc/17/35/27/384173527.db2.gz USZIBNHTAPJBLP-PRHODGIISA-N 0 0 217.268 2.484 50 0 BEAARN CCCC(C)(C)NC(=O)Nc1cn[nH]c1 ZINC000071909531 384160281 /nfs/dbraw/zinc/16/02/81/384160281.db2.gz ROUQSXFCPJZMQF-UHFFFAOYSA-N 0 0 210.281 2.110 50 0 BEAARN Nc1cc(CCOc2ccc(Cl)cc2)ncn1 ZINC000091997456 384160612 /nfs/dbraw/zinc/16/06/12/384160612.db2.gz BKWSEIMLHVOYSJ-UHFFFAOYSA-N 0 0 249.701 2.334 50 0 BEAARN CCc1ccccc1NC(=O)c1cnccn1 ZINC000000035385 384161587 /nfs/dbraw/zinc/16/15/87/384161587.db2.gz ITQPFPYKSRDMMS-UHFFFAOYSA-N 0 0 227.267 2.291 50 0 BEAARN C[C@@H]1Oc2cc(Br)ccc2NC1=O ZINC000062533488 384164222 /nfs/dbraw/zinc/16/42/22/384164222.db2.gz QVEHEXXQFGINCG-YFKPBYRVSA-N 0 0 242.072 2.169 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000002518242 384166903 /nfs/dbraw/zinc/16/69/03/384166903.db2.gz LBJSEPNOVVUVJA-UWVGGRQHSA-N 0 0 229.320 2.062 50 0 BEAARN Cc1cn(Cc2nc(-c3ccccc3)no2)cn1 ZINC000071777368 384177948 /nfs/dbraw/zinc/17/79/48/384177948.db2.gz IJNZFJCXHKUONT-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN CC(=O)N1C[C@@H](C)CNc2ccccc21 ZINC000071790377 384180355 /nfs/dbraw/zinc/18/03/55/384180355.db2.gz WMBHINWRJXGBIE-VIFPVBQESA-N 0 0 204.273 2.101 50 0 BEAARN CC(C)[C@H]1C(=O)CCN1C(=O)OC(C)(C)C ZINC000082351848 384206214 /nfs/dbraw/zinc/20/62/14/384206214.db2.gz RJMZLGWLBICATL-JTQLQIEISA-N 0 0 227.304 2.221 50 0 BEAARN O=C(C1CCC1)N1CCOc2ccccc2C1 ZINC000082353464 384206228 /nfs/dbraw/zinc/20/62/28/384206228.db2.gz UEJWLIGPQFCEBW-UHFFFAOYSA-N 0 0 231.295 2.208 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)c2ccco2)C1(C)C ZINC000071915434 384191581 /nfs/dbraw/zinc/19/15/81/384191581.db2.gz QYDBPKWSDRVGTN-WDEREUQCSA-N 0 0 237.299 2.213 50 0 BEAARN CO[C@H](CNC(=O)C1CCC1)c1ccccc1 ZINC000043518561 384193042 /nfs/dbraw/zinc/19/30/42/384193042.db2.gz MEUGKQAPLCMSSI-CYBMUJFWSA-N 0 0 233.311 2.290 50 0 BEAARN C[C@](CO)(NCC(F)(F)F)C1CCCCC1 ZINC000071916315 384193900 /nfs/dbraw/zinc/19/39/00/384193900.db2.gz GRSQSJYUSFJGHP-SNVBAGLBSA-N 0 0 239.281 2.470 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(COC2)CC1 ZINC000072194277 384200307 /nfs/dbraw/zinc/20/03/07/384200307.db2.gz YVHPBSHIEPPQDC-UHFFFAOYSA-N 0 0 227.304 2.034 50 0 BEAARN CC[C@H]1CN(Cc2ccno2)CCS1 ZINC000072862053 384236014 /nfs/dbraw/zinc/23/60/14/384236014.db2.gz RCUKMHFUOTYNNU-JTQLQIEISA-N 0 0 212.318 2.002 50 0 BEAARN O=C([O-])C1CC[NH+](C2CCCCC2)CC1 ZINC000008727458 384212838 /nfs/dbraw/zinc/21/28/38/384212838.db2.gz QTJYMJZSIMYYLB-UHFFFAOYSA-N 0 0 211.305 2.116 50 0 BEAARN CCCCNC(=O)Nc1ccc(N(C)C)nc1 ZINC000048092052 384218941 /nfs/dbraw/zinc/21/89/41/384218941.db2.gz WEOXAVKWQOUGAQ-UHFFFAOYSA-N 0 0 236.319 2.069 50 0 BEAARN Cc1nnc(=O)[nH]c1N[C@@H](C)c1ccccc1 ZINC000008828770 384221744 /nfs/dbraw/zinc/22/17/44/384221744.db2.gz AGRABUSMABCYTG-QMMMGPOBSA-N 0 0 230.271 2.059 50 0 BEAARN Cc1nnc(=O)[nH]c1N[C@H](C)c1ccccc1 ZINC000008828771 384222232 /nfs/dbraw/zinc/22/22/32/384222232.db2.gz AGRABUSMABCYTG-MRVPVSSYSA-N 0 0 230.271 2.059 50 0 BEAARN CCCCNC(=O)c1cccc(NC(C)=O)c1 ZINC000009366403 384246560 /nfs/dbraw/zinc/24/65/60/384246560.db2.gz ZTHZFLXXQTZXLI-UHFFFAOYSA-N 0 0 234.299 2.175 50 0 BEAARN Cc1ccc([C@@H](C)[N@H+](C)CC(=O)[O-])c(C)c1 ZINC000082717646 384258991 /nfs/dbraw/zinc/25/89/91/384258991.db2.gz MUBKTXOKTGCCKA-LLVKDONJSA-N 0 0 221.300 2.381 50 0 BEAARN CC(C)CCSc1nnc(N)s1 ZINC000000099901 384266658 /nfs/dbraw/zinc/26/66/58/384266658.db2.gz PKKXXLOWFNHQAO-UHFFFAOYSA-N 0 0 203.336 2.259 50 0 BEAARN CCCCNC(=O)c1sc2ncccc2c1N ZINC000010011149 384268271 /nfs/dbraw/zinc/26/82/71/384268271.db2.gz DHODQWPBBAIYLX-UHFFFAOYSA-N 0 0 249.339 2.408 50 0 BEAARN COC(=O)c1cc2ccccc2c(=O)s1 ZINC000000079326 384273216 /nfs/dbraw/zinc/27/32/16/384273216.db2.gz LXCBRCMMHXRQIR-UHFFFAOYSA-N 0 0 220.249 2.048 50 0 biogenic BEAARN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000237605916 384306055 /nfs/dbraw/zinc/30/60/55/384306055.db2.gz IGHWJJMZCCCECV-AAEUAGOBSA-N 0 0 233.311 2.339 50 0 BEAARN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000237609469 384311851 /nfs/dbraw/zinc/31/18/51/384311851.db2.gz IGHWJJMZCCCECV-WCQYABFASA-N 0 0 233.311 2.339 50 0 BEAARN COC(=O)c1ccc(Br)cc1OC ZINC000012359481 384313230 /nfs/dbraw/zinc/31/32/30/384313230.db2.gz WPGAGRPPDYAZAD-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN O=C1O[C@@H](c2ccc(O)cc2O)c2ccccc21 ZINC000044123216 384313619 /nfs/dbraw/zinc/31/36/19/384313619.db2.gz UEJPTQLUZIFBRU-CYBMUJFWSA-N 0 0 242.230 2.358 50 0 BEAARN COC(=O)c1cc(C)nc2c1c(C)nn2C(C)C ZINC000012395731 384317738 /nfs/dbraw/zinc/31/77/38/384317738.db2.gz BASBULAPCPNBIV-UHFFFAOYSA-N 0 0 247.298 2.416 50 0 BEAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1O ZINC000012408907 384319633 /nfs/dbraw/zinc/31/96/33/384319633.db2.gz QHOUAEQAWXAJBD-UWVGGRQHSA-N 0 0 245.278 2.072 50 0 BEAARN Cc1ccc(C(=O)OCCOc2cccnc2)o1 ZINC000097010602 384282758 /nfs/dbraw/zinc/28/27/58/384282758.db2.gz RGONGYXFVPDGOJ-UHFFFAOYSA-N 0 0 247.250 2.219 50 0 BEAARN CC1(F)CC(NC(=O)c2ccccc2)C1 ZINC000335455161 384288296 /nfs/dbraw/zinc/28/82/96/384288296.db2.gz GXWQFBLIRNGALH-UHFFFAOYSA-N 0 0 207.248 2.307 50 0 BEAARN Cc1nn(CC(C)C)c(C)c1[C@H]1CCCC(=O)N1 ZINC000408525247 384289070 /nfs/dbraw/zinc/28/90/70/384289070.db2.gz RKYCPMASHHLDAL-GFCCVEGCSA-N 0 0 249.358 2.497 50 0 BEAARN c1nn(CC[C@H]2CCCO2)c2cccnc12 ZINC000408525177 384289901 /nfs/dbraw/zinc/28/99/01/384289901.db2.gz ORBYXBAQSIYWJI-SNVBAGLBSA-N 0 0 217.272 2.000 50 0 BEAARN Cc1nonc1-c1csc([C@@H]2CCCO2)n1 ZINC000408523551 384290719 /nfs/dbraw/zinc/29/07/19/384290719.db2.gz LCDIMFLNZINCKE-QMMMGPOBSA-N 0 0 237.284 2.353 50 0 BEAARN Cc1nnc(NC(=O)C2CCCCC2)s1 ZINC000011634201 384292193 /nfs/dbraw/zinc/29/21/93/384292193.db2.gz UAHJUVSBTQWZCQ-UHFFFAOYSA-N 0 0 225.317 2.365 50 0 BEAARN CCc1ccc2occ(CC(N)=O)c2c1 ZINC000016489462 384302571 /nfs/dbraw/zinc/30/25/71/384302571.db2.gz RSDWXZPWWJDKIE-UHFFFAOYSA-N 0 0 203.241 2.023 50 0 BEAARN CCCn1cc(CNc2nc(C3CC3)no2)cn1 ZINC000097045547 384303610 /nfs/dbraw/zinc/30/36/10/384303610.db2.gz OKTLISROGFMCGT-UHFFFAOYSA-N 0 0 247.302 2.166 50 0 BEAARN Cc1ccc(C(=O)Nc2ccn(C)n2)s1 ZINC000013012581 384346667 /nfs/dbraw/zinc/34/66/67/384346667.db2.gz LRBRSIMGQZZMBO-UHFFFAOYSA-N 0 0 221.285 2.042 50 0 BEAARN COC(=O)c1ccc2c(c1)nc(C)n2C1CC1 ZINC000075972671 384349930 /nfs/dbraw/zinc/34/99/30/384349930.db2.gz WYKSIVBCCDUBFX-UHFFFAOYSA-N 0 0 230.267 2.466 50 0 BEAARN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)no1 ZINC000013329512 384356210 /nfs/dbraw/zinc/35/62/10/384356210.db2.gz KWFRVTIJRXACOX-SCZZXKLOSA-N 0 0 222.288 2.292 50 0 BEAARN O=Cc1cc(Br)cc2[nH]ncc21 ZINC000095100011 384365879 /nfs/dbraw/zinc/36/58/79/384365879.db2.gz OBCKXMAOBDIDOR-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN c1ncc(-c2ccc3c(c2)OCCO3)o1 ZINC000095215825 384368516 /nfs/dbraw/zinc/36/85/16/384368516.db2.gz ZSIXZSLHYOZKOI-UHFFFAOYSA-N 0 0 203.197 2.113 50 0 BEAARN Cc1c(C(=O)[O-])ccc2c[nH+]c(C3CC3)n21 ZINC000095221021 384368555 /nfs/dbraw/zinc/36/85/55/384368555.db2.gz GEEJJJDJRQFITF-UHFFFAOYSA-N 0 0 216.240 2.218 50 0 BEAARN Cc1noc2nc(C)nc(N3CC=C(C)CC3)c12 ZINC000095386578 384370722 /nfs/dbraw/zinc/37/07/22/384370722.db2.gz DYPJSHDBGHKSHL-UHFFFAOYSA-N 0 0 244.298 2.391 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000095348228 384371854 /nfs/dbraw/zinc/37/18/54/384371854.db2.gz UNPDFDSZXIRIEB-VIFPVBQESA-N 0 0 237.303 2.312 50 0 BEAARN CC[C@@H]([NH2+]CC1OCCO1)c1cccs1 ZINC000097110494 384372085 /nfs/dbraw/zinc/37/20/85/384372085.db2.gz MTQCIPYNPKJRCN-SECBINFHSA-N 0 0 227.329 2.162 50 0 BEAARN Cc1c(CNc2nc(C)nc(C)c2C)cnn1C ZINC000095368746 384372107 /nfs/dbraw/zinc/37/21/07/384372107.db2.gz QCBQDDYCGKVCDF-UHFFFAOYSA-N 0 0 245.330 2.056 50 0 BEAARN CCc1cc(N(C)CC2(CO)CCCC2)ncn1 ZINC000095376078 384372485 /nfs/dbraw/zinc/37/24/85/384372485.db2.gz BSFFWIUDZZFONO-UHFFFAOYSA-N 0 0 249.358 2.028 50 0 BEAARN Nc1cncc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000094968061 384323372 /nfs/dbraw/zinc/32/33/72/384323372.db2.gz IGNWOCBUUSZIIH-UHFFFAOYSA-N 0 0 239.322 2.222 50 0 BEAARN Cc1oc(=O)n(CCOCc2ccccc2)c1C ZINC000095380320 384372933 /nfs/dbraw/zinc/37/29/33/384372933.db2.gz FOSFFDBFCANMFF-UHFFFAOYSA-N 0 0 247.294 2.275 50 0 BEAARN COc1ncccc1C(=O)NCc1cccs1 ZINC000044442811 384332980 /nfs/dbraw/zinc/33/29/80/384332980.db2.gz PGEIITUJAUTLSJ-UHFFFAOYSA-N 0 0 248.307 2.082 50 0 BEAARN COC[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000097096465 384334179 /nfs/dbraw/zinc/33/41/79/384334179.db2.gz QQJRALFLWWQAPD-GFCCVEGCSA-N 0 0 220.316 2.253 50 0 BEAARN CC[C@@H](C)N(CC)C(=O)c1ccc2n[nH]nc2c1 ZINC000067868780 384395478 /nfs/dbraw/zinc/39/54/78/384395478.db2.gz FNMDZRSPJNTWQN-SECBINFHSA-N 0 0 246.314 2.219 50 0 BEAARN Cc1ccc(OC[C@@H]2CCCO2)c(N)c1 ZINC000014629573 384396554 /nfs/dbraw/zinc/39/65/54/384396554.db2.gz OAHGPUWZFLWSIK-JTQLQIEISA-N 0 0 207.273 2.135 50 0 BEAARN CCONC(=O)c1ccccc1Br ZINC000032848240 384401556 /nfs/dbraw/zinc/40/15/56/384401556.db2.gz QQWSFHRIHUHIFF-UHFFFAOYSA-N 0 0 244.088 2.130 50 0 BEAARN Nc1ccc2c(c1)[C@H](CO)c1ccccc1-2 ZINC000095831107 384403474 /nfs/dbraw/zinc/40/34/74/384403474.db2.gz SYEYUWQQBFAPGD-CQSZACIVSA-N 0 0 211.264 2.373 50 0 BEAARN COc1cc(Br)cc2n[nH]cc21 ZINC000014983143 384412541 /nfs/dbraw/zinc/41/25/41/384412541.db2.gz IZGCREUFIOZTOM-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CC(C)(O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000014988359 384413790 /nfs/dbraw/zinc/41/37/90/384413790.db2.gz DVDVWCDVWANNCD-UHFFFAOYSA-N 0 0 237.690 2.148 50 0 BEAARN C[C@@H](NC(=O)Nc1ccncc1F)C1CC1 ZINC000095940256 384417396 /nfs/dbraw/zinc/41/73/96/384417396.db2.gz KLPJDIDMFKIYII-SSDOTTSWSA-N 0 0 223.251 2.141 50 0 BEAARN Cn1cc(-c2csc(CC3CC3)n2)cn1 ZINC000096009354 384421939 /nfs/dbraw/zinc/42/19/39/384421939.db2.gz JFMWTEFHAMCHHM-UHFFFAOYSA-N 0 0 219.313 2.496 50 0 BEAARN CC(=O)Nc1cccc(OCc2ccon2)c1 ZINC000015108967 384422103 /nfs/dbraw/zinc/42/21/03/384422103.db2.gz CRKCKAFVRJMHAC-UHFFFAOYSA-N 0 0 232.239 2.212 50 0 BEAARN CCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000096032137 384422535 /nfs/dbraw/zinc/42/25/35/384422535.db2.gz VXVNESJOGPNEMU-WDEREUQCSA-N 0 0 243.347 2.262 50 0 BEAARN CCOCc1nncn1-c1cc(C)ccc1OC ZINC000067908516 384377508 /nfs/dbraw/zinc/37/75/08/384377508.db2.gz HJDIFBFAXADWKQ-UHFFFAOYSA-N 0 0 247.298 2.121 50 0 BEAARN Cc1ccn(CCOc2ccccc2)c(=O)c1 ZINC000071857515 384380400 /nfs/dbraw/zinc/38/04/00/384380400.db2.gz DGVFLTAUXHRUFQ-UHFFFAOYSA-N 0 0 229.279 2.236 50 0 BEAARN Cc1ccc(CNc2ncnc3c2CCC3)o1 ZINC000061277483 384381092 /nfs/dbraw/zinc/38/10/92/384381092.db2.gz IUJBFAZUITZYRX-UHFFFAOYSA-N 0 0 229.283 2.479 50 0 BEAARN O=C(OC[C@H]1CCOC1)C1=CCCCCC1 ZINC000097164077 384389656 /nfs/dbraw/zinc/38/96/56/384389656.db2.gz AWIFFHQGTHSVDO-NSHDSACASA-N 0 0 224.300 2.457 50 0 BEAARN CCC[C@@H]1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000014345145 384389962 /nfs/dbraw/zinc/38/99/62/384389962.db2.gz FWOZAMQZJCHSIB-LBPRGKRZSA-N 0 0 246.310 2.216 50 0 BEAARN Cc1nc(S[C@@H](C)C(=O)c2ccccc2)n[nH]1 ZINC000011710094 384448505 /nfs/dbraw/zinc/44/85/05/384448505.db2.gz IWRDKGMOROSCON-QMMMGPOBSA-N 0 0 247.323 2.477 50 0 BEAARN COC(=O)c1cc(Cl)c(C)cc1O ZINC000044200145 384450214 /nfs/dbraw/zinc/45/02/14/384450214.db2.gz RWTNNJDBVMWJAP-UHFFFAOYSA-N 0 0 200.621 2.141 50 0 BEAARN Cc1n[nH]cc1-c1ccc(CC(=O)N(C)C)cc1 ZINC000096137960 384436720 /nfs/dbraw/zinc/43/67/20/384436720.db2.gz HCRRJAWUCGXSMU-UHFFFAOYSA-N 0 0 243.310 2.016 50 0 BEAARN COC(=O)c1ccc(N)cc1C(F)(F)F ZINC000047202226 384443451 /nfs/dbraw/zinc/44/34/51/384443451.db2.gz IYEKSDFYHAQYAM-UHFFFAOYSA-N 0 0 219.162 2.074 50 0 BEAARN Cc1cc(CNc2nc(C)no2)c(C)o1 ZINC000097231826 384462966 /nfs/dbraw/zinc/46/29/66/384462966.db2.gz GUKAALVDVQVXGD-UHFFFAOYSA-N 0 0 207.233 2.200 50 0 BEAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC ZINC000107350521 384485271 /nfs/dbraw/zinc/48/52/71/384485271.db2.gz MSOSVFHZZBTXDD-TUAOUCFPSA-N 0 0 227.348 2.496 50 0 BEAARN COC(=O)c1ccc(-c2ccc(N)nc2)cc1 ZINC000016946530 384473423 /nfs/dbraw/zinc/47/34/23/384473423.db2.gz PTTPOCCDBYFBGP-UHFFFAOYSA-N 0 0 228.251 2.117 50 0 BEAARN CC(=O)c1nnn(-c2ccccc2)c1Cl ZINC000048622860 384499658 /nfs/dbraw/zinc/49/96/58/384499658.db2.gz QVTSYCIMPFBYCH-UHFFFAOYSA-N 0 0 221.647 2.123 50 0 BEAARN C[C@H](NC(=O)Nc1cccnc1)C1CC1 ZINC000048364915 384487219 /nfs/dbraw/zinc/48/72/19/384487219.db2.gz PQTBNNANUFLZGG-QMMMGPOBSA-N 0 0 205.261 2.002 50 0 BEAARN CONCc1ccc(Br)cc1 ZINC000070267732 384518749 /nfs/dbraw/zinc/51/87/49/384518749.db2.gz PBOTUGDVWWCKPQ-UHFFFAOYSA-N 0 0 216.078 2.100 50 0 BEAARN O=C(Nc1nnc(-c2ccco2)s1)C1CC1 ZINC000000418028 384520921 /nfs/dbraw/zinc/52/09/21/384520921.db2.gz CAHYAQGKGGCAIR-UHFFFAOYSA-N 0 0 235.268 2.147 50 0 BEAARN O=C1Cc2cc(Br)c(F)cc2N1 ZINC000097455207 384522080 /nfs/dbraw/zinc/52/20/80/384522080.db2.gz UVQWHJXRXKNXGK-UHFFFAOYSA-N 0 0 230.036 2.083 50 0 BEAARN CC(=O)c1ccccc1OCC(=O)NCC(C)C ZINC000019480424 384526173 /nfs/dbraw/zinc/52/61/73/384526173.db2.gz MXQLJAQDPRFMFN-UHFFFAOYSA-N 0 0 249.310 2.040 50 0 BEAARN Cc1cnn(Cc2noc3c2CCCC3)c1 ZINC000098013762 384526265 /nfs/dbraw/zinc/52/62/65/384526265.db2.gz BUHPWEARWDDWCB-UHFFFAOYSA-N 0 0 217.272 2.107 50 0 BEAARN Cc1cc(C(=O)OC2CCOCC2)c(C)o1 ZINC000097032019 384527761 /nfs/dbraw/zinc/52/77/61/384527761.db2.gz PNKDRUOXAQKPKP-UHFFFAOYSA-N 0 0 224.256 2.232 50 0 BEAARN O=C([O-])CC1CC[NH+](CCc2ccccc2)CC1 ZINC000019685916 384532472 /nfs/dbraw/zinc/53/24/72/384532472.db2.gz HLHSRFWKLPWOJG-UHFFFAOYSA-N 0 0 247.338 2.416 50 0 BEAARN CSC1=NCCN1C(=O)c1cc(C)cc(C)c1 ZINC000000429368 384532794 /nfs/dbraw/zinc/53/27/94/384532794.db2.gz AYPVMGDDWCFSPO-UHFFFAOYSA-N 0 0 248.351 2.478 50 0 BEAARN COC(=O)Cc1ccc(Br)c(F)c1 ZINC000097756844 384554012 /nfs/dbraw/zinc/55/40/12/384554012.db2.gz GJSFSDMLTLWFQN-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN COC(=O)[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000097756786 384554868 /nfs/dbraw/zinc/55/48/68/384554868.db2.gz DCFRCSKESTZADV-VIFPVBQESA-N 0 0 229.279 2.446 50 0 BEAARN CC(C)CCNC(=O)COc1ccc(F)cc1 ZINC000019935070 384560693 /nfs/dbraw/zinc/56/06/93/384560693.db2.gz PTORQCFSFGXUGK-UHFFFAOYSA-N 0 0 239.290 2.367 50 0 BEAARN Nc1nonc1-c1ccc2c(c1)CCCC2 ZINC000019772646 384537425 /nfs/dbraw/zinc/53/74/25/384537425.db2.gz KCYGUIPSSHZORX-UHFFFAOYSA-N 0 0 215.256 2.198 50 0 BEAARN CC(C)c1nc(CN(C)Cc2ccncc2)no1 ZINC000097653979 384538626 /nfs/dbraw/zinc/53/86/26/384538626.db2.gz AFDFLAIUCZKIDX-UHFFFAOYSA-N 0 0 246.314 2.220 50 0 BEAARN O=C1O[C@H](C2CC2)c2cc3c(cc21)OCCO3 ZINC000020096390 384574148 /nfs/dbraw/zinc/57/41/48/384574148.db2.gz OJSBNDOPSHXWQM-GFCCVEGCSA-N 0 0 232.235 2.079 50 0 BEAARN CCc1ccccc1O[C@@H](C)C(=O)NC1CC1 ZINC000020106402 384574399 /nfs/dbraw/zinc/57/43/99/384574399.db2.gz VIMMKWAOZXAEQJ-JTQLQIEISA-N 0 0 233.311 2.295 50 0 BEAARN CCCC(=O)O[C@H]1CCC[C@@H](OC)C1 ZINC000097043822 384577468 /nfs/dbraw/zinc/57/74/68/384577468.db2.gz PBAOROBUXMOYKP-ZJUUUORDSA-N 0 0 200.278 2.287 50 0 BEAARN CO[C@H]1C(C)=C(C)C(=O)N1C1CCCCC1 ZINC000020169507 384588055 /nfs/dbraw/zinc/58/80/55/384588055.db2.gz CEEBMSBLQYSBES-ZDUSSCGKSA-N 0 0 223.316 2.470 50 0 BEAARN COC(=O)Cc1cccc2ccc(C)nc21 ZINC000082777211 384565081 /nfs/dbraw/zinc/56/50/81/384565081.db2.gz MVYIDFCWKYEFLL-UHFFFAOYSA-N 0 0 215.252 2.259 50 0 BEAARN CCOc1cc(C=O)c(F)c(F)c1C ZINC000098210770 384604824 /nfs/dbraw/zinc/60/48/24/384604824.db2.gz NGLCRQJYUYNBTK-UHFFFAOYSA-N 0 0 200.184 2.484 50 0 BEAARN Cc1nc(Cn2cc(-n3cccc3)cn2)cs1 ZINC000081080981 384605535 /nfs/dbraw/zinc/60/55/35/384605535.db2.gz BMZWDFWVWJPCQN-UHFFFAOYSA-N 0 0 244.323 2.487 50 0 BEAARN C[C@H](NC(=O)n1ccnc1)c1ccc(F)cc1 ZINC000020283034 384609050 /nfs/dbraw/zinc/60/90/50/384609050.db2.gz HUVIBBRNBRJCFX-VIFPVBQESA-N 0 0 233.246 2.341 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCO)CC1 ZINC000100007028 384609346 /nfs/dbraw/zinc/60/93/46/384609346.db2.gz KTNFSGIXLVLQNK-PHIMTYICSA-N 0 0 243.347 2.452 50 0 BEAARN CC(=O)c1cc(Cl)nc(Cl)c1N ZINC000020357583 384614208 /nfs/dbraw/zinc/61/42/08/384614208.db2.gz VASUBHNCBPDOPI-UHFFFAOYSA-N 0 0 205.044 2.173 50 0 BEAARN CC(C)(C)OC(=O)N[C@@]1(C)CC[C@H](O)CC1 ZINC000100182793 384621541 /nfs/dbraw/zinc/62/15/41/384621541.db2.gz JJAVBBNDEUQQSR-WVSHTKLVSA-N 0 0 229.320 2.205 50 0 BEAARN CO[C@]1(C)C[C@H](NC(=O)[C@@H](C)SC)C1(C)C ZINC000073269035 384623841 /nfs/dbraw/zinc/62/38/41/384623841.db2.gz SCJMDUOOKIPMPJ-VDDIYKPWSA-N 0 0 245.388 2.058 50 0 BEAARN O=C([C@@H]1CCCOC1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456266029 384665241 /nfs/dbraw/zinc/66/52/41/384665241.db2.gz CRHSMBGBLSQOFK-HZSPNIEDSA-N 0 0 249.354 2.060 50 0 BEAARN O=C([C@H]1CCCOC1)N1CCc2ccccc21 ZINC000082321793 384667152 /nfs/dbraw/zinc/66/71/52/384667152.db2.gz UTEDWBQONWOKIN-LBPRGKRZSA-N 0 0 231.295 2.002 50 0 BEAARN CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000071908046 384673220 /nfs/dbraw/zinc/67/32/20/384673220.db2.gz YKLZPNIUYQIPBG-CHWSQXEVSA-N 0 0 239.359 2.450 50 0 BEAARN CCc1cccc(C)c1N1C(=O)C[C@@H](C)C1=O ZINC000100394039 384638409 /nfs/dbraw/zinc/63/84/09/384638409.db2.gz MDZRTCBOQLDHBD-SNVBAGLBSA-N 0 0 231.295 2.457 50 0 BEAARN COC(=O)c1cc(Br)cc(C=O)c1 ZINC000082046835 384644412 /nfs/dbraw/zinc/64/44/12/384644412.db2.gz GFZITIUEBBDMMN-UHFFFAOYSA-N 0 0 243.056 2.048 50 0 BEAARN CC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000082160676 384646602 /nfs/dbraw/zinc/64/66/02/384646602.db2.gz VXPCTIGKKLFXIH-SNVBAGLBSA-N 0 0 227.304 2.365 50 0 BEAARN Cn1cncc1[C@@H](O)CCc1ccccc1 ZINC000082238045 384651184 /nfs/dbraw/zinc/65/11/84/384651184.db2.gz VULNFYJJEVKDEJ-ZDUSSCGKSA-N 0 0 216.284 2.086 50 0 BEAARN OCC1CCN(c2ccccc2F)CC1 ZINC000140752036 384660614 /nfs/dbraw/zinc/66/06/14/384660614.db2.gz POVNYOWBFLHTNW-UHFFFAOYSA-N 0 0 209.264 2.034 50 0 BEAARN CCc1cccc(N(C#N)Cc2cnn(C)c2)c1 ZINC000095411494 384724465 /nfs/dbraw/zinc/72/44/65/384724465.db2.gz UZEBFXWBVPRUQZ-UHFFFAOYSA-N 0 0 240.310 2.470 50 0 BEAARN CC(C)(C)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000080873727 384728144 /nfs/dbraw/zinc/72/81/44/384728144.db2.gz WCKGBALINBJFPX-UHFFFAOYSA-N 0 0 249.289 2.364 50 0 BEAARN Nc1nnc([C@@H]2CCOc3ccccc32)s1 ZINC000082557082 384692615 /nfs/dbraw/zinc/69/26/15/384692615.db2.gz MDSGPZNCMYFUSM-MRVPVSSYSA-N 0 0 233.296 2.035 50 0 BEAARN Cc1ccc(C)c(NC(=O)c2csnn2)c1 ZINC000011914888 384697303 /nfs/dbraw/zinc/69/73/03/384697303.db2.gz PYYBXHQURXOALH-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1c[nH]cn1 ZINC000076619710 384698323 /nfs/dbraw/zinc/69/83/23/384698323.db2.gz PPIAKDORZGKLCZ-SCVCMEIPSA-N 0 0 233.315 2.203 50 0 BEAARN O=C(c1ccccc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000102440125 384712610 /nfs/dbraw/zinc/71/26/10/384712610.db2.gz TYIAFXPYIXTPJH-MLGHIDQZSA-N 0 0 242.274 2.067 50 0 BEAARN Cc1ccc(N)cc1OCC1CCOCC1 ZINC000052171013 384720839 /nfs/dbraw/zinc/72/08/39/384720839.db2.gz NAOLLCNSCVBXKC-UHFFFAOYSA-N 0 0 221.300 2.383 50 0 BEAARN COc1cccc([C@@H](C)[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000086789432 384776600 /nfs/dbraw/zinc/77/66/00/384776600.db2.gz YYDATWWTDCKDSK-PWSUYJOCSA-N 0 0 249.310 2.163 50 0 BEAARN O=c1cc(C(F)F)ncn1[C@H]1C=CCCC1 ZINC000291588912 384778457 /nfs/dbraw/zinc/77/84/57/384778457.db2.gz HGXRFXFGSBBQHG-QMMMGPOBSA-N 0 0 226.226 2.462 50 0 BEAARN C/C=C/C[S@@](=O)Cc1nc(C)c(C)o1 ZINC000097370539 384778655 /nfs/dbraw/zinc/77/86/55/384778655.db2.gz TXYLNHYWHKNEQF-NNTXTVRGSA-N 0 0 213.302 2.116 50 0 BEAARN COC(=O)COc1ccc(C(C)=O)cc1Cl ZINC000127150343 384736070 /nfs/dbraw/zinc/73/60/70/384736070.db2.gz PUDMPBRHMPGHJQ-UHFFFAOYSA-N 0 0 242.658 2.094 50 0 BEAARN Cc1ccc(C(=O)NCc2ccccn2)cc1F ZINC000007847806 384740433 /nfs/dbraw/zinc/74/04/33/384740433.db2.gz SAVBODTUJPWNKK-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1[nH]c(C)c(C=O)c1Br ZINC000083283927 384758777 /nfs/dbraw/zinc/75/87/77/384758777.db2.gz BXEHDSOTEZIZEJ-UHFFFAOYSA-N 0 0 202.051 2.207 50 0 BEAARN COC(=O)C(C)(C)NCc1cccc(Cl)c1 ZINC000084139941 384759401 /nfs/dbraw/zinc/75/94/01/384759401.db2.gz XJEUZMVTLKHURD-UHFFFAOYSA-N 0 0 241.718 2.381 50 0 BEAARN O=C1Cc2c(c(F)ccc2Br)N1 ZINC000084193882 384760565 /nfs/dbraw/zinc/76/05/65/384760565.db2.gz QMTQFUFNWYQCGN-UHFFFAOYSA-N 0 0 230.036 2.083 50 0 BEAARN COC[C@H](C)NC(=O)C[C@H](C)C(C)(C)C ZINC000084636738 384763467 /nfs/dbraw/zinc/76/34/67/384763467.db2.gz OQPPEHNTKPKYFM-UWVGGRQHSA-N 0 0 215.337 2.210 50 0 BEAARN O=C1NC[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000083967420 384824796 /nfs/dbraw/zinc/82/47/96/384824796.db2.gz BXFZWQBMGJINIQ-MRVPVSSYSA-N 0 0 231.173 2.486 50 0 BEAARN C[C@H](O)CNC(=O)C[C@H](C)C1CCCCC1 ZINC000126782567 384830439 /nfs/dbraw/zinc/83/04/39/384830439.db2.gz VAYAKEPPVVGHSY-QWRGUYRKSA-N 0 0 227.348 2.090 50 0 BEAARN CCONC(=O)CCc1c[nH]c2ccccc12 ZINC000024969589 384837963 /nfs/dbraw/zinc/83/79/63/384837963.db2.gz DWBTXOVNWSQWSP-UHFFFAOYSA-N 0 0 232.283 2.168 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CCC(CF)CC1 ZINC000295715754 384789488 /nfs/dbraw/zinc/78/94/88/384789488.db2.gz KECDYCRFASBNRN-UHFFFAOYSA-N 0 0 224.279 2.145 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000026870900 384884264 /nfs/dbraw/zinc/88/42/64/384884264.db2.gz SBJOFOGALWNRTD-APPZFPTMSA-N 0 0 215.256 2.157 50 0 BEAARN CO[C@]1(C)C[C@@H](NC(=O)c2cccnc2)C1(C)C ZINC000084668202 384890159 /nfs/dbraw/zinc/89/01/59/384890159.db2.gz QSQZVXJSUUJAJQ-BXUZGUMPSA-N 0 0 248.326 2.015 50 0 BEAARN Cc1c([C@H](C)NC(=O)C2CCCCC2)cnn1C ZINC000025006539 384838312 /nfs/dbraw/zinc/83/83/12/384838312.db2.gz YUUOXKCFHTZCED-JTQLQIEISA-N 0 0 249.358 2.486 50 0 BEAARN Cc1cc(C(=O)N(C)C)c(C)n1Cc1ccco1 ZINC000060878267 384847851 /nfs/dbraw/zinc/84/78/51/384847851.db2.gz KWPRDZRCCOBOOZ-UHFFFAOYSA-N 0 0 246.310 2.448 50 0 BEAARN C[C@H](NC(=O)c1ccnc(Cl)c1)C1CC1 ZINC000025595641 384855092 /nfs/dbraw/zinc/85/50/92/384855092.db2.gz LZBXXHXEYKLSBN-ZETCQYMHSA-N 0 0 224.691 2.263 50 0 BEAARN O=C1NCc2cc(Br)ccc2N1 ZINC000084325010 384860420 /nfs/dbraw/zinc/86/04/20/384860420.db2.gz LPMQSNAFKKEZAK-UHFFFAOYSA-N 0 0 227.061 2.084 50 0 BEAARN CC(C)(C(=O)Nc1cn[nH]c1)c1ccc(F)cc1 ZINC000072254934 384861586 /nfs/dbraw/zinc/86/15/86/384861586.db2.gz XPAASUYDWGABSO-UHFFFAOYSA-N 0 0 247.273 2.465 50 0 BEAARN Cn1ncc(NCc2ccccc2)c(Cl)c1=O ZINC000026029971 384866412 /nfs/dbraw/zinc/86/64/12/384866412.db2.gz JATQFCGMMLNIJW-UHFFFAOYSA-N 0 0 249.701 2.046 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@](C)(O)CC1 ZINC000084424169 384866857 /nfs/dbraw/zinc/86/68/57/384866857.db2.gz SQANTGYKAMJIJS-LBPRGKRZSA-N 0 0 229.320 2.158 50 0 BEAARN Cc1noc([C@H](C)Nc2ccc3c(c2)CCO3)n1 ZINC000026995358 384891354 /nfs/dbraw/zinc/89/13/54/384891354.db2.gz OCRPAESCQXXXJX-QMMMGPOBSA-N 0 0 245.282 2.486 50 0 BEAARN Cc1ccc(C)c(C(=O)NCC2CC2)c1 ZINC000032909797 384894658 /nfs/dbraw/zinc/89/46/58/384894658.db2.gz RWXWUNUOJDSSNQ-UHFFFAOYSA-N 0 0 203.285 2.443 50 0 BEAARN Cc1nnc(NC(=O)/C=C\c2ccco2)s1 ZINC000033316724 384899419 /nfs/dbraw/zinc/89/94/19/384899419.db2.gz YQIVJJIGTNJLTB-PLNGDYQASA-N 0 0 235.268 2.091 50 0 BEAARN Cc1nc(SCc2nc3ccccc3[nH]2)n[nH]1 ZINC000004623185 384910659 /nfs/dbraw/zinc/91/06/59/384910659.db2.gz VVGZOUNSQYXDBG-UHFFFAOYSA-N 0 0 245.311 2.282 50 0 BEAARN CC[C@@H](C)[C@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000028117264 384930547 /nfs/dbraw/zinc/93/05/47/384930547.db2.gz GTKOHXKZTJRLKJ-MWLCHTKSSA-N 0 0 238.331 2.490 50 0 BEAARN COC(=O)Nc1nc2c(ccc3ccccc23)[nH]1 ZINC000085389750 384940927 /nfs/dbraw/zinc/94/09/27/384940927.db2.gz WSWJRSIHIGJECC-UHFFFAOYSA-N 0 0 241.250 2.316 50 0 BEAARN O=C(c1ncco1)c1c(F)cccc1F ZINC000085651169 384960274 /nfs/dbraw/zinc/96/02/74/384960274.db2.gz VAZIGHLZLIEDIZ-UHFFFAOYSA-N 0 0 209.151 2.184 50 0 BEAARN COc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000025309969 384982120 /nfs/dbraw/zinc/98/21/20/384982120.db2.gz QOYOPFKIRGRNSM-CBAPKCEASA-N 0 0 223.247 2.429 50 0 BEAARN Cc1ccc(C(=O)OCC2CCCCC2)c(=O)[nH]1 ZINC000058061484 384984773 /nfs/dbraw/zinc/98/47/73/384984773.db2.gz KYMDZNBJUGJEMP-UHFFFAOYSA-N 0 0 249.310 2.420 50 0 BEAARN CCO[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000058210411 384989332 /nfs/dbraw/zinc/98/93/32/384989332.db2.gz YGRYHWRVYWFUJN-OLZOCXBDSA-N 0 0 249.354 2.467 50 0 BEAARN O=C(/C=C/c1ccccc1)NCC(F)(F)F ZINC000058191098 384989350 /nfs/dbraw/zinc/98/93/50/384989350.db2.gz KGIONHWXPLPZDC-VOTSOKGWSA-N 0 0 229.201 2.378 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1cc(F)ccc1C ZINC000058282840 384991477 /nfs/dbraw/zinc/99/14/77/384991477.db2.gz SIFHBGDUXKAHAB-SECBINFHSA-N 0 0 240.278 2.291 50 0 BEAARN O=C(CC1CCCC1)NCC(F)(F)F ZINC000058331057 384995938 /nfs/dbraw/zinc/99/59/38/384995938.db2.gz PASGELIRGQBHIH-UHFFFAOYSA-N 0 0 209.211 2.245 50 0 BEAARN COC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000058365047 384999410 /nfs/dbraw/zinc/99/94/10/384999410.db2.gz HXSDGXAMUPIVHZ-UHTWSYAYSA-N 0 0 233.311 2.146 50 0 BEAARN C[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccccn1 ZINC000029728986 385006159 /nfs/dbraw/zinc/00/61/59/385006159.db2.gz LCSKDHAOQPQIAV-NXEZZACHSA-N 0 0 233.315 2.240 50 0 BEAARN CC[C@@H](CO)NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299850 385012485 /nfs/dbraw/zinc/01/24/85/385012485.db2.gz WDWTVHQHSBAQRS-VIFPVBQESA-N 0 0 247.298 2.060 50 0 BEAARN O=C(N=c1[nH]c2ccccc2s1)C1CCC1 ZINC000018209306 385013398 /nfs/dbraw/zinc/01/33/98/385013398.db2.gz SWNUKEVAXPWDBO-UHFFFAOYSA-N 0 0 232.308 2.457 50 0 BEAARN Cc1ccc(C)c(/C=C2\SC(=N)NC2=O)c1 ZINC000005018640 385014594 /nfs/dbraw/zinc/01/45/94/385014594.db2.gz BOCZLMBEMRIVSW-POHAHGRESA-N 0 0 232.308 2.442 50 0 BEAARN C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445820 385016787 /nfs/dbraw/zinc/01/67/87/385016787.db2.gz HYJIIKMUEZCEON-GXSJLCMTSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445825 385017035 /nfs/dbraw/zinc/01/70/35/385017035.db2.gz HYJIIKMUEZCEON-MWLCHTKSSA-N 0 0 237.274 2.293 50 0 BEAARN Cc1[nH]nc(NC(N)=S)c1-c1ccccc1 ZINC000005818106 385048072 /nfs/dbraw/zinc/04/80/72/385048072.db2.gz HTKOIYVRJJPOLJ-UHFFFAOYSA-N 0 0 232.312 2.041 50 0 BEAARN Cn1ncnc1COc1ccc(Cl)cc1 ZINC000072297340 385058198 /nfs/dbraw/zinc/05/81/98/385058198.db2.gz RYECBYYKBXUDQJ-UHFFFAOYSA-N 0 0 223.663 2.048 50 0 BEAARN C[C@@H](C(=O)N(C)C)n1ccc(-c2ccccc2)n1 ZINC000060203310 385073294 /nfs/dbraw/zinc/07/32/94/385073294.db2.gz VRFGLULHXXYUTA-NSHDSACASA-N 0 0 243.310 2.199 50 0 BEAARN O=C1CCc2ccc(Br)cc2O1 ZINC000059031407 385035451 /nfs/dbraw/zinc/03/54/51/385035451.db2.gz DFCPFOHVVSSCNZ-UHFFFAOYSA-N 0 0 227.057 2.301 50 0 BEAARN CCO[C@H]1C[C@H](NC(=O)c2ccncc2)C1(C)C ZINC000096414162 385126758 /nfs/dbraw/zinc/12/67/58/385126758.db2.gz UKWSCCYCUSBBMX-RYUDHWBXSA-N 0 0 248.326 2.015 50 0 BEAARN CCc1cccc(NC(=O)CCn2cccn2)c1 ZINC000020602946 385142466 /nfs/dbraw/zinc/14/24/66/385142466.db2.gz GYLNANZZHZGFNW-UHFFFAOYSA-N 0 0 243.310 2.474 50 0 BEAARN COC[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000096417116 385142608 /nfs/dbraw/zinc/14/26/08/385142608.db2.gz DHBDNRLLGDWMFP-GFCCVEGCSA-N 0 0 239.359 2.452 50 0 BEAARN COc1ncccc1C(=O)N1CCCCCCC1 ZINC000032758991 385183249 /nfs/dbraw/zinc/18/32/49/385183249.db2.gz VHVATZZZNKQPJJ-UHFFFAOYSA-N 0 0 248.326 2.497 50 0 BEAARN O=C(c1cncc(F)c1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000096468101 385183583 /nfs/dbraw/zinc/18/35/83/385183583.db2.gz VDYQYECSKBZRTD-GHMZBOCLSA-N 0 0 246.285 2.259 50 0 BEAARN Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCC1 ZINC000032828207 385185144 /nfs/dbraw/zinc/18/51/44/385185144.db2.gz JCXANVRNCTVZAX-LBPRGKRZSA-N 0 0 247.342 2.104 50 0 BEAARN Fc1ccc2oc(N3CCCCN3)nc2c1 ZINC000289176040 385186272 /nfs/dbraw/zinc/18/62/72/385186272.db2.gz RKLMUFIOMHSVKB-UHFFFAOYSA-N 0 0 221.235 2.072 50 0 BEAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc[nH]c1=O ZINC000031384909 385189164 /nfs/dbraw/zinc/18/91/64/385189164.db2.gz NXORIIFNRQVBQN-PWSUYJOCSA-N 0 0 248.326 2.026 50 0 BEAARN CSCCCCC(=O)N1CCCCO1 ZINC000189544148 385191938 /nfs/dbraw/zinc/19/19/38/385191938.db2.gz VNLRQZJSSSCISU-UHFFFAOYSA-N 0 0 217.334 2.074 50 0 BEAARN COc1cc(C(=O)NC(C)C)ccc1C ZINC000013019594 385154334 /nfs/dbraw/zinc/15/43/34/385154334.db2.gz PIZSUESDNDDJLQ-UHFFFAOYSA-N 0 0 207.273 2.142 50 0 BEAARN Cc1ccc(C)c(C(=O)NCC2(O)CCCC2)c1 ZINC000044158331 385156123 /nfs/dbraw/zinc/15/61/23/385156123.db2.gz DUZMMPVWQJSCDO-UHFFFAOYSA-N 0 0 247.338 2.338 50 0 BEAARN Cc1cc(Br)cc2[nH]c(=O)oc21 ZINC000062152898 385162144 /nfs/dbraw/zinc/16/21/44/385162144.db2.gz VARQARLDHMGBSN-UHFFFAOYSA-N 0 0 228.045 2.192 50 0 BEAARN Cc1nc(COC(=O)[C@@H]2C[C@@H]2C)sc1C ZINC000096442724 385169631 /nfs/dbraw/zinc/16/96/31/385169631.db2.gz QJBXIPPMUWFIFT-IMTBSYHQSA-N 0 0 225.313 2.459 50 0 BEAARN COCc1nc(C(=O)OCC2CCC2)cs1 ZINC000096442560 385170957 /nfs/dbraw/zinc/17/09/57/385170957.db2.gz VGEIIADCUQDMQO-UHFFFAOYSA-N 0 0 241.312 2.246 50 0 BEAARN CO[C@H](C)CCOC(=O)c1ncoc1C(C)C ZINC000096442909 385171270 /nfs/dbraw/zinc/17/12/70/385171270.db2.gz ICPSIMAIHCTVED-SECBINFHSA-N 0 0 241.287 2.380 50 0 BEAARN COc1nccnc1-c1cccc(NC(C)=O)c1 ZINC000032558395 385172659 /nfs/dbraw/zinc/17/26/59/385172659.db2.gz LKIXMBMQCVSQLY-UHFFFAOYSA-N 0 0 243.266 2.111 50 0 BEAARN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccoc1 ZINC000096454454 385175478 /nfs/dbraw/zinc/17/54/78/385175478.db2.gz OHUVNAZTIWFMJE-ZYHUDNBSSA-N 0 0 237.299 2.071 50 0 BEAARN O=C(OCC[C@H]1CCCO1)c1cccs1 ZINC000096453099 385175664 /nfs/dbraw/zinc/17/56/64/385175664.db2.gz KWKNNKLBWCUDRT-SECBINFHSA-N 0 0 226.297 2.474 50 0 BEAARN O=C(OCC[C@@H]1CCCO1)c1cccs1 ZINC000096453098 385175954 /nfs/dbraw/zinc/17/59/54/385175954.db2.gz KWKNNKLBWCUDRT-VIFPVBQESA-N 0 0 226.297 2.474 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000031343615 385177272 /nfs/dbraw/zinc/17/72/72/385177272.db2.gz GRKQWTRDLYRPKY-KCJUWKMLSA-N 0 0 217.268 2.216 50 0 BEAARN O=C(c1ccccc1)N1CC[C@@H](OCC2CC2)C1 ZINC000257177282 385206290 /nfs/dbraw/zinc/20/62/90/385206290.db2.gz DPVUFHRVVRRIFH-CQSZACIVSA-N 0 0 245.322 2.328 50 0 BEAARN C[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)[O-] ZINC000089941515 385210942 /nfs/dbraw/zinc/21/09/42/385210942.db2.gz MYLNJKDJGSTGEQ-SNVBAGLBSA-N 0 0 219.284 2.080 50 0 BEAARN CCOc1cncc(NC2CC=CC2)n1 ZINC000096480611 385216078 /nfs/dbraw/zinc/21/60/78/385216078.db2.gz XKVMKIQXLLGELZ-UHFFFAOYSA-N 0 0 205.261 2.006 50 0 BEAARN C[C@H](Cc1ccc(Br)cc1)C(N)=O ZINC000096487410 385224269 /nfs/dbraw/zinc/22/42/69/385224269.db2.gz VNVHVVCGGLSQIF-SSDOTTSWSA-N 0 0 242.116 2.113 50 0 BEAARN C/C=C\C[C@@H]1CC(=O)C[C@@H]1CC(=O)OC ZINC000063772260 385234657 /nfs/dbraw/zinc/23/46/57/385234657.db2.gz JYZHNYACTQVZBM-HWKXXFMVSA-N 0 0 210.273 2.111 50 0 BEAARN CC(C)(C)C(=O)N1CCc2cnccc21 ZINC000096501713 385239145 /nfs/dbraw/zinc/23/91/45/385239145.db2.gz PHZPZCUAANLNRE-UHFFFAOYSA-N 0 0 204.273 2.017 50 0 BEAARN Cc1ccc([C@@H](C)NCc2nnnn2C(C)C)o1 ZINC000096502743 385240884 /nfs/dbraw/zinc/24/08/84/385240884.db2.gz DYGSMQNASQYATI-SNVBAGLBSA-N 0 0 249.318 2.006 50 0 BEAARN CC(C)CCOC(=O)[C@@H]1CCCC[C@H]1O ZINC000000506680 385244481 /nfs/dbraw/zinc/24/44/81/385244481.db2.gz NEGXKXUAVASAAB-GHMZBOCLSA-N 0 0 214.305 2.127 50 0 BEAARN CC(C)CCOC(=O)[C@H]1CCCC[C@@H]1O ZINC000000506681 385245500 /nfs/dbraw/zinc/24/55/00/385245500.db2.gz NEGXKXUAVASAAB-QWRGUYRKSA-N 0 0 214.305 2.127 50 0 BEAARN Cn1ncc(-c2cc3ccccc3o2)c1N ZINC000065426338 385309337 /nfs/dbraw/zinc/30/93/37/385309337.db2.gz IFPRVCJPLXPOJW-UHFFFAOYSA-N 0 0 213.240 2.416 50 0 BEAARN c1cncc(-c2n[nH]c(C3CCC3)n2)c1 ZINC000065488065 385315281 /nfs/dbraw/zinc/31/52/81/385315281.db2.gz LHQJANAVZQLWMS-UHFFFAOYSA-N 0 0 200.245 2.134 50 0 BEAARN c1nncn1CCc1csc2c1CCCC2 ZINC000065460322 385315616 /nfs/dbraw/zinc/31/56/16/385315616.db2.gz GSZUQKNGNYGKHP-UHFFFAOYSA-N 0 0 233.340 2.461 50 0 BEAARN Fc1ccc([C@@H]2CCN2Cc2ncc[nH]2)cc1 ZINC000065492884 385316619 /nfs/dbraw/zinc/31/66/19/385316619.db2.gz SSCGTYNRZXNWPN-LBPRGKRZSA-N 0 0 231.274 2.496 50 0 BEAARN COc1cc(Cl)c(C)cc1-n1cnnc1 ZINC000065529438 385322173 /nfs/dbraw/zinc/32/21/73/385322173.db2.gz XBPCZASMMXTKRK-UHFFFAOYSA-N 0 0 223.663 2.238 50 0 BEAARN CCCCOC(=O)CSc1nnc(C)s1 ZINC000048403803 385264416 /nfs/dbraw/zinc/26/44/16/385264416.db2.gz PJMJPQJRIUNSJR-UHFFFAOYSA-N 0 0 246.357 2.282 50 0 BEAARN O=C(c1ccoc1)N1CCC2(CCCCO2)CC1 ZINC000257178962 385267139 /nfs/dbraw/zinc/26/71/39/385267139.db2.gz CFMNVVHTTVBHTA-UHFFFAOYSA-N 0 0 249.310 2.455 50 0 BEAARN CC(=O)c1c(O)cc2c(c1O)CCC(C)(C)O2 ZINC000000481602 385276254 /nfs/dbraw/zinc/27/62/54/385276254.db2.gz UYMLAAXZGCTNGG-UHFFFAOYSA-N 0 0 236.267 2.404 50 0 BEAARN Cc1cc(C)c(C(=O)Cc2ccccc2)c(=O)[nH]1 ZINC000000212049 385279561 /nfs/dbraw/zinc/27/95/61/385279561.db2.gz BTWMBWYHTUGQOO-UHFFFAOYSA-N 0 0 241.290 2.417 50 0 BEAARN C[C@@H](Cn1ccc2ccccc21)n1cnnc1 ZINC000065366059 385301187 /nfs/dbraw/zinc/30/11/87/385301187.db2.gz UWGUIIRVEWMXJP-NSHDSACASA-N 0 0 226.283 2.494 50 0 BEAARN COCOc1ccc(C(F)(F)F)cc1O ZINC000169247654 385410153 /nfs/dbraw/zinc/41/01/53/385410153.db2.gz JFMIRPYNKVULPJ-UHFFFAOYSA-N 0 0 222.162 2.394 50 0 BEAARN O=C1NC2(CCCCC2)[C@H]1Oc1ccc(F)cc1 ZINC000169676549 385416807 /nfs/dbraw/zinc/41/68/07/385416807.db2.gz HLQKQWJCLMLDGC-LBPRGKRZSA-N 0 0 249.285 2.406 50 0 BEAARN COC(=O)[C@@H]1CC=C(Br)CC1 ZINC000169725193 385417150 /nfs/dbraw/zinc/41/71/50/385417150.db2.gz GMRKRCWRLAOLRS-ZCFIWIBFSA-N 0 0 219.078 2.238 50 0 BEAARN CN(Cc1ccc(F)cc1F)c1ccn(C)n1 ZINC000274875383 385417829 /nfs/dbraw/zinc/41/78/29/385417829.db2.gz XFTKETYOYJFPGG-UHFFFAOYSA-N 0 0 237.253 2.335 50 0 BEAARN Fc1cncc(N2CCCC(F)(F)C2)c1 ZINC000169725435 385418089 /nfs/dbraw/zinc/41/80/89/385418089.db2.gz YIPJJFVABHNGMU-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN C[C@H](CC(F)(F)F)Nc1cnn(C)c1 ZINC000157343262 385498112 /nfs/dbraw/zinc/49/81/12/385498112.db2.gz PBVDKOOEYOAIJK-ZCFIWIBFSA-N 0 0 207.199 2.173 50 0 BEAARN CC(C)n1c(N)nnc1SCc1cccnc1 ZINC000062801126 385576586 /nfs/dbraw/zinc/57/65/86/385576586.db2.gz ZSZCEJQKCUYVSS-UHFFFAOYSA-N 0 0 249.343 2.129 50 0 BEAARN CNc1c(C(=O)c2ccccc2F)c(C)nn1C ZINC000002002290 385617175 /nfs/dbraw/zinc/61/71/75/385617175.db2.gz GJKAEHDZZWMUDS-UHFFFAOYSA-N 0 0 247.273 2.140 50 0 BEAARN CN(CC1CCOCC1)C(=O)c1ccsc1 ZINC000121245676 385630364 /nfs/dbraw/zinc/63/03/64/385630364.db2.gz DMNZNXGETWVJGZ-UHFFFAOYSA-N 0 0 239.340 2.247 50 0 BEAARN Cc1ccc(C)c(NC(=O)c2cnsn2)c1 ZINC000000935408 385646844 /nfs/dbraw/zinc/64/68/44/385646844.db2.gz NYUTVDMVVOUXCL-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1occc1C(=O)Nc1ccn2ccnc2c1 ZINC000355350049 385706889 /nfs/dbraw/zinc/70/68/89/385706889.db2.gz XWYWTPLZMIQFHW-UHFFFAOYSA-N 0 0 241.250 2.488 50 0 BEAARN Cc1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)c(C)o1 ZINC000000999811 385712392 /nfs/dbraw/zinc/71/23/92/385712392.db2.gz LPMCJOCJENMJSX-IUCAKERBSA-N 0 0 237.299 2.146 50 0 BEAARN Cc1cnc(NCC2([C@@H](O)C(C)C)CC2)nc1C ZINC000271874408 385856582 /nfs/dbraw/zinc/85/65/82/385856582.db2.gz SRZPLOXLYGVJSZ-LBPRGKRZSA-N 0 0 249.358 2.302 50 0 BEAARN Cn1cncc1CN1CCC[C@@H]1c1nccs1 ZINC000215765396 385849552 /nfs/dbraw/zinc/84/95/52/385849552.db2.gz COOMBFXBDAPWFD-LLVKDONJSA-N 0 0 248.355 2.214 50 0 BEAARN CC(C)(C(=O)NC1CC(C)(F)C1)C(F)F ZINC000334864640 385851232 /nfs/dbraw/zinc/85/12/32/385851232.db2.gz QSRTUYFQYZPHIH-UHFFFAOYSA-N 0 0 223.238 2.285 50 0 BEAARN c1cn(-c2ncnc3sc4c(c32)CCC4)cn1 ZINC000006909681 385862839 /nfs/dbraw/zinc/86/28/39/385862839.db2.gz OLHBTWIBSUGSEH-UHFFFAOYSA-N 0 0 242.307 2.366 50 0 BEAARN O=C(COC(=O)c1ccccc1F)c1ccc[nH]1 ZINC000006945695 385866930 /nfs/dbraw/zinc/86/69/30/385866930.db2.gz MTCPNFLOHYHSOU-UHFFFAOYSA-N 0 0 247.225 2.194 50 0 BEAARN Cc1ccc(F)c(C(=O)Nc2nncs2)c1 ZINC000053002997 385994066 /nfs/dbraw/zinc/99/40/66/385994066.db2.gz JALUMLXQFZNTAJ-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN CNc1nnc(-c2cccc(OC)c2)s1 ZINC000001238278 386000640 /nfs/dbraw/zinc/00/06/40/386000640.db2.gz UZWGZQDFIIABTC-UHFFFAOYSA-N 0 0 221.285 2.255 50 0 BEAARN CSCCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000033023785 386016215 /nfs/dbraw/zinc/01/62/15/386016215.db2.gz BGKMIJJZBSSZOC-NXEZZACHSA-N 0 0 215.362 2.244 50 0 BEAARN CSCC(=O)N[C@H]1CCCC[C@H]1C ZINC000033028709 386017908 /nfs/dbraw/zinc/01/79/08/386017908.db2.gz WEJVIVQDRMLGCH-BDAKNGLRSA-N 0 0 201.335 2.044 50 0 BEAARN c1sc2c(c1CNc1ncncn1)CCCC2 ZINC000223508407 386087504 /nfs/dbraw/zinc/08/75/04/386087504.db2.gz QTAUMTHCIUCGHK-UHFFFAOYSA-N 0 0 246.339 2.424 50 0 BEAARN Cc1c(Cl)cc(Cl)cc1C(N)=O ZINC000263624909 386159375 /nfs/dbraw/zinc/15/93/75/386159375.db2.gz VCJJPYOFNGAVKD-UHFFFAOYSA-N 0 0 204.056 2.401 50 0 BEAARN Cc1noc(-c2ccn(-c3ccc(F)cc3)n2)n1 ZINC000225387130 386188272 /nfs/dbraw/zinc/18/82/72/386188272.db2.gz GUZHYYYGUSGWHU-UHFFFAOYSA-N 0 0 244.229 2.370 50 0 BEAARN FC(F)(F)CN1CCC[C@H]1c1ncc[nH]1 ZINC000334467507 386138770 /nfs/dbraw/zinc/13/87/70/386138770.db2.gz FBFATWHBILVILD-ZETCQYMHSA-N 0 0 219.210 2.109 50 0 BEAARN C[C@@H]1C[C@H]1c1nc(-c2cccnc2)no1 ZINC000225555490 386202569 /nfs/dbraw/zinc/20/25/69/386202569.db2.gz TVLITCPZOFCKOX-VXNVDRBHSA-N 0 0 201.229 2.255 50 0 BEAARN Cc1ocnc1-c1noc([C@@H]2C[C@@H]2C)n1 ZINC000225556072 386202582 /nfs/dbraw/zinc/20/25/82/386202582.db2.gz RHVREJFJHRFFHL-CAHLUQPWSA-N 0 0 205.217 2.156 50 0 BEAARN Cc1ocnc1-c1noc([C@H]2C[C@@H]2C)n1 ZINC000225556042 386202944 /nfs/dbraw/zinc/20/29/44/386202944.db2.gz RHVREJFJHRFFHL-FSPLSTOPSA-N 0 0 205.217 2.156 50 0 BEAARN Cc1nc(CN(C#N)c2ccc(F)cc2)no1 ZINC000225643850 386207776 /nfs/dbraw/zinc/20/77/76/386207776.db2.gz CUJWQCRBNJUFCA-UHFFFAOYSA-N 0 0 232.218 2.005 50 0 BEAARN Cc1ccc(C(=O)Nc2ccn(C)n2)cc1F ZINC000014899651 386208169 /nfs/dbraw/zinc/20/81/69/386208169.db2.gz OCCUUAMLHUIHEI-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cn1c2cccc(F)c2nc1NCc1cocn1 ZINC000225643389 386208194 /nfs/dbraw/zinc/20/81/94/386208194.db2.gz NDCNWHFCPWIZQR-UHFFFAOYSA-N 0 0 246.245 2.313 50 0 BEAARN C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1cn[nH]c1 ZINC000275389980 386208218 /nfs/dbraw/zinc/20/82/18/386208218.db2.gz YPTNAIYRQMLNCH-GHMZBOCLSA-N 0 0 233.315 2.333 50 0 BEAARN CC[C@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC000225748337 386215363 /nfs/dbraw/zinc/21/53/63/386215363.db2.gz IBBVYMDXNSABJB-JTQLQIEISA-N 0 0 236.290 2.483 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cnns1 ZINC000040554539 386221716 /nfs/dbraw/zinc/22/17/16/386221716.db2.gz KRPFCGPMZMRHKY-MRVPVSSYSA-N 0 0 245.307 2.130 50 0 BEAARN CC/C=C(\C)C(=O)N(C)Cc1ccncc1 ZINC000046044161 386238653 /nfs/dbraw/zinc/23/86/53/386238653.db2.gz GZKLIYMMCBCEGY-VZUCSPMQSA-N 0 0 218.300 2.396 50 0 BEAARN CCO[C@@H](C)C(=O)Nc1noc2ccccc21 ZINC000225500552 386197293 /nfs/dbraw/zinc/19/72/93/386197293.db2.gz YVYNQQPXOHNZNA-QMMMGPOBSA-N 0 0 234.255 2.191 50 0 BEAARN Cc1n[nH]cc1CNc1nc2ccccc2o1 ZINC000038011858 386302686 /nfs/dbraw/zinc/30/26/86/386302686.db2.gz FEQVKBHOBMEJBV-UHFFFAOYSA-N 0 0 228.255 2.471 50 0 BEAARN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)n1cccn1 ZINC000298246586 386314288 /nfs/dbraw/zinc/31/42/88/386314288.db2.gz VKPKOVXGEYVTHX-WOPDTQHZSA-N 0 0 235.331 2.139 50 0 BEAARN CC[C@H]1CCN1C(=O)Nc1ccncc1F ZINC000297736039 386276312 /nfs/dbraw/zinc/27/63/12/386276312.db2.gz KSSFHEYEIPEUQV-QMMMGPOBSA-N 0 0 223.251 2.237 50 0 BEAARN COCc1cccc(C(=O)O[C@H](C)COC)c1 ZINC000073835232 386349543 /nfs/dbraw/zinc/34/95/43/386349543.db2.gz RCFJMCQZUICAJH-SNVBAGLBSA-N 0 0 238.283 2.025 50 0 BEAARN CCN(C(=O)Cc1cccc(N)c1)C(C)C ZINC000052922378 386368527 /nfs/dbraw/zinc/36/85/27/386368527.db2.gz JUHSSCVHXLTAPF-UHFFFAOYSA-N 0 0 220.316 2.068 50 0 BEAARN c1nc2c(c(N3CCCCC3)n1)CCCC2 ZINC000151570004 386452830 /nfs/dbraw/zinc/45/28/30/386452830.db2.gz ITNDASZVLYKBDB-UHFFFAOYSA-N 0 0 217.316 2.346 50 0 BEAARN CSc1nc(C)cc(N2N=C(C)C[C@H]2C)n1 ZINC000524734592 259687165 /nfs/dbraw/zinc/68/71/65/259687165.db2.gz SYERFMSJGIIWQS-SECBINFHSA-N 0 0 236.344 2.481 50 0 BEAARN Cc1cc(C(=O)N(C)Cc2ccccc2C)[nH]n1 ZINC000054126205 386395537 /nfs/dbraw/zinc/39/55/37/386395537.db2.gz MXGCIWYIHUIHAA-UHFFFAOYSA-N 0 0 243.310 2.299 50 0 BEAARN CC(C)C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000150754503 386397105 /nfs/dbraw/zinc/39/71/05/386397105.db2.gz LLVDNIOQLHCYOA-JTQLQIEISA-N 0 0 246.310 2.264 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)NC1CCC(C)CC1 ZINC000002782590 386402997 /nfs/dbraw/zinc/40/29/97/386402997.db2.gz QVBPMGSYMCMGKT-UHFFFAOYSA-N 0 0 249.358 2.345 50 0 BEAARN CCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000001471474 386411008 /nfs/dbraw/zinc/41/10/08/386411008.db2.gz XCJUUIZTYSHMKB-GFCCVEGCSA-N 0 0 219.284 2.367 50 0 BEAARN CCCCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000001744646 386483898 /nfs/dbraw/zinc/48/38/98/386483898.db2.gz UYNXPIOAEPETIZ-UHFFFAOYSA-N 0 0 245.326 2.412 50 0 BEAARN O=C(/C=C\c1ccc(F)cc1)NC1CC1 ZINC000006094722 386495236 /nfs/dbraw/zinc/49/52/36/386495236.db2.gz LGYFGEBHNSKNDY-BAQGIRSFSA-N 0 0 205.232 2.118 50 0 BEAARN Nc1nnc(-c2cc(F)ccc2F)s1 ZINC000015415933 386577868 /nfs/dbraw/zinc/57/78/68/386577868.db2.gz PASZNIXHBATJNX-UHFFFAOYSA-N 0 0 213.212 2.066 50 0 BEAARN CCOC(=O)c1ccccc1C(=O)OCC ZINC000000001287 386596326 /nfs/dbraw/zinc/59/63/26/386596326.db2.gz FLKPEMZONWLCSK-UHFFFAOYSA-N 0 0 222.240 2.040 50 0 biogenic,in-man BEAARN Nc1nc(-c2ccc(F)cc2O)cs1 ZINC000095929211 386557008 /nfs/dbraw/zinc/55/70/08/386557008.db2.gz XAWNOBIEOIKTOR-UHFFFAOYSA-N 0 0 210.233 2.237 50 0 BEAARN Cc1ccc(CNc2nnc(C)o2)s1 ZINC000095976655 386561856 /nfs/dbraw/zinc/56/18/56/386561856.db2.gz BKMSEHYDDZOZBS-UHFFFAOYSA-N 0 0 209.274 2.360 50 0 BEAARN COC(C)(C)C(=O)Nc1ncccc1Cl ZINC000095994021 386562240 /nfs/dbraw/zinc/56/22/40/386562240.db2.gz LGIMFDJNRROKEV-UHFFFAOYSA-N 0 0 228.679 2.099 50 0 BEAARN CCC[C@H](C(=O)NCCOC)c1ccccc1 ZINC000046463604 386628436 /nfs/dbraw/zinc/62/84/36/386628436.db2.gz OVZUPYBHDWFVNN-ZDUSSCGKSA-N 0 0 235.327 2.333 50 0 BEAARN CCN(CC(F)F)C(=O)Nc1ccncc1 ZINC000183405910 386646633 /nfs/dbraw/zinc/64/66/33/386646633.db2.gz OWCJNRDTBPSJTP-UHFFFAOYSA-N 0 0 229.230 2.201 50 0 BEAARN O=C(C1=Cc2ccccc2OC1)N1CCCCC1 ZINC000015786335 386688348 /nfs/dbraw/zinc/68/83/48/386688348.db2.gz RBBYPSFLDLTPPO-UHFFFAOYSA-N 0 0 243.306 2.475 50 0 BEAARN C[C@@]1(C(=O)NC(C2CC2)C2CC2)CCCCO1 ZINC000457414844 386712976 /nfs/dbraw/zinc/71/29/76/386712976.db2.gz LXNYIUPWUHZITP-AWEZNQCLSA-N 0 0 237.343 2.250 50 0 BEAARN C[C@]1(C(=O)NC(C2CC2)C2CC2)CCCCO1 ZINC000457414845 386713014 /nfs/dbraw/zinc/71/30/14/386713014.db2.gz LXNYIUPWUHZITP-CQSZACIVSA-N 0 0 237.343 2.250 50 0 BEAARN CC(=O)c1cccc(NC(=O)c2coc(C)n2)c1 ZINC000022538269 386727704 /nfs/dbraw/zinc/72/77/04/386727704.db2.gz VLJQBZUIAWFSNU-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN C/C=C/C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000015671170 386762043 /nfs/dbraw/zinc/76/20/43/386762043.db2.gz JNPAFAUEFHWJTA-QLCVYAKKSA-N 0 0 244.294 2.184 50 0 BEAARN CCC1(CNC(=O)c2scnc2C)CC1 ZINC000075105419 386785778 /nfs/dbraw/zinc/78/57/78/386785778.db2.gz CMLUGBDECPBQSO-UHFFFAOYSA-N 0 0 224.329 2.372 50 0 BEAARN CC(=O)N[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000012884070 386815254 /nfs/dbraw/zinc/81/52/54/386815254.db2.gz BQOYCULMRNFJEI-SNVBAGLBSA-N 0 0 248.326 2.273 50 0 BEAARN COc1ncccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000032755225 386815763 /nfs/dbraw/zinc/81/57/63/386815763.db2.gz ZJERAJQFPKEIEM-PHIMTYICSA-N 0 0 248.326 2.208 50 0 BEAARN O=CNCCc1nc(-c2ccccc2)cs1 ZINC000003768001 386884494 /nfs/dbraw/zinc/88/44/94/386884494.db2.gz RKGDTUBMBASWEP-UHFFFAOYSA-N 0 0 232.308 2.099 50 0 BEAARN CO[C@@H]1CCC[C@H]1CNc1nc(C)cnc1C ZINC000358329435 386933194 /nfs/dbraw/zinc/93/31/94/386933194.db2.gz MGQOKSURFDELSW-NWDGAFQWSA-N 0 0 235.331 2.320 50 0 BEAARN CCOc1ccccc1CNC(=O)C(C)C ZINC000053164521 386934120 /nfs/dbraw/zinc/93/41/20/386934120.db2.gz ORLBCGSXCHFGFI-UHFFFAOYSA-N 0 0 221.300 2.358 50 0 BEAARN Nc1cncc(-c2cnc3[nH]ccc3c2)c1 ZINC000147999909 386993078 /nfs/dbraw/zinc/99/30/78/386993078.db2.gz BUKXUMUHGCYFPT-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN O=C([C@H]1CCOC1)N1CCCCc2ccccc21 ZINC000069353539 386995634 /nfs/dbraw/zinc/99/56/34/386995634.db2.gz CWONVLMPDCNPJY-ZDUSSCGKSA-N 0 0 245.322 2.392 50 0 BEAARN CCOC(=O)c1cnc2ccncc2c1Cl ZINC000011920121 386997791 /nfs/dbraw/zinc/99/77/91/386997791.db2.gz SUZSJFNERBAGDA-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CSCC[C@@H](C)N(C)c1ccnc(C)n1 ZINC000074770149 387035236 /nfs/dbraw/zinc/03/52/36/387035236.db2.gz MSZQJHRZKKJWOY-SECBINFHSA-N 0 0 225.361 2.363 50 0 BEAARN C[C@@]1(C(=O)N[C@H]2CC=CCC2)CC1(F)F ZINC000334985483 387073522 /nfs/dbraw/zinc/07/35/22/387073522.db2.gz DGLDDBFTSZXVHF-WPRPVWTQSA-N 0 0 215.243 2.257 50 0 BEAARN Cc1nnc(CN2CCC[C@](C)(F)C2)s1 ZINC000336275382 387107149 /nfs/dbraw/zinc/10/71/49/387107149.db2.gz JXWMNZSDJLLFTH-JTQLQIEISA-N 0 0 229.324 2.171 50 0 BEAARN CC(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000071614583 387123407 /nfs/dbraw/zinc/12/34/07/387123407.db2.gz TXFXQCKJRBOBDW-UHFFFAOYSA-N 0 0 203.163 2.490 50 0 BEAARN C[C@@H](C(=O)N[C@@H](C)c1csnn1)C1CCC1 ZINC000334016143 387145140 /nfs/dbraw/zinc/14/51/40/387145140.db2.gz ZAEGHAWBYLDEKG-SFYZADRCSA-N 0 0 239.344 2.152 50 0 BEAARN O=c1[nH]c(-c2ccon2)nc2ccc(Cl)cc12 ZINC000074797507 387192503 /nfs/dbraw/zinc/19/25/03/387192503.db2.gz FWSXRMQGWBJZEG-UHFFFAOYSA-N 0 0 247.641 2.232 50 0 BEAARN CSCC(=O)NC1CCC(F)(F)CC1 ZINC000336329177 387156352 /nfs/dbraw/zinc/15/63/52/387156352.db2.gz CDEPERSRTUTQJL-UHFFFAOYSA-N 0 0 223.288 2.044 50 0 BEAARN CC(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000075337101 387169546 /nfs/dbraw/zinc/16/95/46/387169546.db2.gz UMXPPQVUXUCYHX-UHFFFAOYSA-N 0 0 249.701 2.366 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C)o1 ZINC000033024047 387193893 /nfs/dbraw/zinc/19/38/93/387193893.db2.gz HSLOQPQVCFLQIG-KWQFWETISA-N 0 0 207.273 2.202 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C)o1 ZINC000033024044 387193918 /nfs/dbraw/zinc/19/39/18/387193918.db2.gz HSLOQPQVCFLQIG-KCJUWKMLSA-N 0 0 207.273 2.202 50 0 BEAARN C[C@H](F)CCn1cnc2ccsc2c1=O ZINC000336358153 387186941 /nfs/dbraw/zinc/18/69/41/387186941.db2.gz YRNJIAGLHYSMOA-ZETCQYMHSA-N 0 0 226.276 2.206 50 0 BEAARN CC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000064542053 387211421 /nfs/dbraw/zinc/21/14/21/387211421.db2.gz VHNAUUHTZYIQLF-UHFFFAOYSA-N 0 0 228.295 2.083 50 0 BEAARN CN(Cc1cccn1C)C(=O)NC1CCCCC1 ZINC000064554302 387219475 /nfs/dbraw/zinc/21/94/75/387219475.db2.gz WWNSERXROPXONB-UHFFFAOYSA-N 0 0 249.358 2.499 50 0 BEAARN CN(Cc1ccncc1)C(=O)NC(C)(C)C ZINC000064554259 387219968 /nfs/dbraw/zinc/21/99/68/387219968.db2.gz UTJVORWBPCTYKD-UHFFFAOYSA-N 0 0 221.304 2.022 50 0 BEAARN c1cncc(-c2nnc(C3CCC3)o2)c1 ZINC000064556883 387220956 /nfs/dbraw/zinc/22/09/56/387220956.db2.gz JVEWKKMNTDRZKL-UHFFFAOYSA-N 0 0 201.229 2.399 50 0 BEAARN CCCn1ccc(NC(=O)c2ccco2)n1 ZINC000064555495 387221095 /nfs/dbraw/zinc/22/10/95/387221095.db2.gz ATDCIQWKCYXEBD-UHFFFAOYSA-N 0 0 219.244 2.138 50 0 BEAARN COCc1nnc(-c2ccccc2C)o1 ZINC000064556853 387221182 /nfs/dbraw/zinc/22/11/82/387221182.db2.gz BDQUDOBGUMJHSE-UHFFFAOYSA-N 0 0 204.229 2.191 50 0 BEAARN Cc1cc(CN(C)C(=O)c2ccccc2F)on1 ZINC000064555707 387221780 /nfs/dbraw/zinc/22/17/80/387221780.db2.gz IQJPNDHWQFJFIZ-UHFFFAOYSA-N 0 0 248.257 2.394 50 0 BEAARN CC[C@H](C)[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000037246008 387249825 /nfs/dbraw/zinc/24/98/25/387249825.db2.gz TZPOCDBWQWIDSX-CMPLNLGQSA-N 0 0 221.300 2.103 50 0 BEAARN CC(C)(C)C(=O)Nc1nc2c(s1)COCC2 ZINC000075442716 387311051 /nfs/dbraw/zinc/31/10/51/387311051.db2.gz UDRMTGCIZAPXGI-UHFFFAOYSA-N 0 0 240.328 2.200 50 0 BEAARN C[C@]1(F)CCCN(C(=O)Cc2ccco2)C1 ZINC000295500959 387254293 /nfs/dbraw/zinc/25/42/93/387254293.db2.gz KENVKWNJIXKYKB-LBPRGKRZSA-N 0 0 225.263 2.173 50 0 BEAARN COc1cc2cc(OC)c(C=O)cc2cc1C=O ZINC000043214905 387273864 /nfs/dbraw/zinc/27/38/64/387273864.db2.gz HZPJKHUVZNSOQK-UHFFFAOYSA-N 0 0 244.246 2.482 50 0 BEAARN CN(C)C(=S)Oc1cccc2c1C(=O)CC2 ZINC000043214706 387274114 /nfs/dbraw/zinc/27/41/14/387274114.db2.gz PUUHQNAQPIYTTE-UHFFFAOYSA-N 0 0 235.308 2.041 50 0 BEAARN CC(=O)O[C@@H]1CCCC/C=C\CCC1=O ZINC000043199120 387274646 /nfs/dbraw/zinc/27/46/46/387274646.db2.gz BITJVXHQZHBJHB-DTRQGZQOSA-N 0 0 210.273 2.398 50 0 BEAARN C[C@@H]1Nc2ncccc2N[C@@H]2CCCC(=O)[C@H]21 ZINC000045027517 387274701 /nfs/dbraw/zinc/27/47/01/387274701.db2.gz YTKGZSXXSXNMIT-SBMIAAHKSA-N 0 0 231.299 2.045 50 0 BEAARN O=C1N[C@@H]2[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000045027940 387274770 /nfs/dbraw/zinc/27/47/70/387274770.db2.gz STCNNDWFSZWTKE-CKUJCDMFSA-N 0 0 247.297 2.392 50 0 BEAARN O=C1C[C@@]23CC(O)C[C@@]2(C1)CCCCC3 ZINC000045072050 387276025 /nfs/dbraw/zinc/27/60/25/387276025.db2.gz PUQZZGZHOUIXIO-CHWSQXEVSA-N 0 0 208.301 2.441 50 0 BEAARN Cc1cc(Cn2c(C)nc3c2CCCC3)no1 ZINC000160730081 387283909 /nfs/dbraw/zinc/28/39/09/387283909.db2.gz KHFHOTAGWNDQHY-UHFFFAOYSA-N 0 0 231.299 2.415 50 0 BEAARN CC[C@H](C)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000083142072 387287943 /nfs/dbraw/zinc/28/79/43/387287943.db2.gz ZLNPFJGXHYBLDN-NSHDSACASA-N 0 0 242.363 2.338 50 0 BEAARN CN(C)S(=O)(=O)/C=C/C=C/c1ccccc1 ZINC000071785286 387289138 /nfs/dbraw/zinc/28/91/38/387289138.db2.gz XEMTZDBJOJTVSS-JMQWPVDRSA-N 0 0 237.324 2.105 50 0 BEAARN CN(Cc1cccc(Cl)c1)[C@H]1CCOC1=O ZINC000089361508 387298779 /nfs/dbraw/zinc/29/87/79/387298779.db2.gz KZZBFSSWMCQOGB-NSHDSACASA-N 0 0 239.702 2.087 50 0 BEAARN CO[C@@H]1O[C@H](OC)[C@@H]2CC[C@@H]3CC[C@H]1[C@H]23 ZINC000101140030 387305476 /nfs/dbraw/zinc/30/54/76/387305476.db2.gz AMOOOPHHDBJPLB-DQLHAQMESA-N 0 0 212.289 2.014 50 0 BEAARN CCONC(=O)c1cc(Cl)ccc1F ZINC000012980161 387362313 /nfs/dbraw/zinc/36/23/13/387362313.db2.gz JHWGXIHZQNGKIF-UHFFFAOYSA-N 0 0 217.627 2.160 50 0 BEAARN O[C@@H]1C[C@H]2[C@H]3[C@@H]1[C@@H]1C=C[C@H]4[C@H]5CC[C@@H]2[C@H]5[C@H]3[C@H]41 ZINC000257358317 387337499 /nfs/dbraw/zinc/33/74/99/387337499.db2.gz STFQHVWFCWXQGP-CFLUEWCJSA-N 0 0 228.335 2.317 50 0 BEAARN c1cnc2c(c1)cccc2CN1CCOCC1 ZINC000025326730 387339246 /nfs/dbraw/zinc/33/92/46/387339246.db2.gz PBNWNXMJJPPZDN-UHFFFAOYSA-N 0 0 228.295 2.067 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2ncccc2O)o1 ZINC000049225674 387345620 /nfs/dbraw/zinc/34/56/20/387345620.db2.gz ACFMMUQOLVSSEC-VIFPVBQESA-N 0 0 246.266 2.180 50 0 BEAARN CC(C)CCN1C(=O)c2ccccc2C1=O ZINC000001695193 387431750 /nfs/dbraw/zinc/43/17/50/387431750.db2.gz OXMDWHVDKVTUQL-UHFFFAOYSA-N 0 0 217.268 2.329 50 0 BEAARN CCNC(=O)NCc1ccc(-c2ccoc2)o1 ZINC000575609705 387408746 /nfs/dbraw/zinc/40/87/46/387408746.db2.gz FBEXEIDKNSXSPP-UHFFFAOYSA-N 0 0 234.255 2.359 50 0 BEAARN CCONC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000040476695 387420846 /nfs/dbraw/zinc/42/08/46/387420846.db2.gz VKSQOZWFRYXPCR-KOLCDFICSA-N 0 0 237.299 2.403 50 0 BEAARN CCN1CSC2=N[C@H]3CCCC[C@@H]3N2C1=O ZINC000075271528 387493912 /nfs/dbraw/zinc/49/39/12/387493912.db2.gz FTUBOFQSEYUZOP-IUCAKERBSA-N 0 0 239.344 2.115 50 0 BEAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccccc1 ZINC000100525901 387470998 /nfs/dbraw/zinc/47/09/98/387470998.db2.gz RVTANKMKMMBUOZ-TXEJJXNPSA-N 0 0 229.279 2.366 50 0 BEAARN O=C(c1ccoc1)N1Cc2ccccc2C1 ZINC000105979013 387477314 /nfs/dbraw/zinc/47/73/14/387477314.db2.gz AQOPXOUASLFEQB-UHFFFAOYSA-N 0 0 213.236 2.436 50 0 BEAARN CSc1cc(CNc2cnccn2)ccn1 ZINC000309936302 387491884 /nfs/dbraw/zinc/49/18/84/387491884.db2.gz ZYBDJLONNJTQLT-UHFFFAOYSA-N 0 0 232.312 2.206 50 0 BEAARN Cc1cc2c(c(=O)n1C)[C@@H](CC(C)C)CC(=O)O2 ZINC000524730240 387492297 /nfs/dbraw/zinc/49/22/97/387492297.db2.gz AVLMRYOKSPUBSC-JTQLQIEISA-N 0 0 249.310 2.133 50 0 biogenic BEAARN Cc1nc(-c2cncc(N)c2)nc2c1CCCC2 ZINC000426627606 387581954 /nfs/dbraw/zinc/58/19/54/387581954.db2.gz BZOAOYWKFKXSJP-UHFFFAOYSA-N 0 0 240.310 2.308 50 0 BEAARN Cc1ccc(C(=O)Nc2cn[nH]c2)cc1C ZINC000035237648 387560821 /nfs/dbraw/zinc/56/08/21/387560821.db2.gz QSDYDTWLLKMOMD-UHFFFAOYSA-N 0 0 215.256 2.279 50 0 BEAARN CCc1nn(C)cc1-c1ccc(OC)nc1OC ZINC000426465485 387572170 /nfs/dbraw/zinc/57/21/70/387572170.db2.gz QNAJGRKEVVKDIV-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN CC(C)NC(=O)c1ccccc1-c1cc[nH]n1 ZINC000426474155 387574430 /nfs/dbraw/zinc/57/44/30/387574430.db2.gz GLTVMUAGLPBRGG-UHFFFAOYSA-N 0 0 229.283 2.215 50 0 BEAARN COc1cc(F)ccc1CNC(=O)[C@@H]1CC12CC2 ZINC000426477942 387574538 /nfs/dbraw/zinc/57/45/38/387574538.db2.gz CTXHZJBKUNNZNI-NSHDSACASA-N 0 0 249.285 2.251 50 0 BEAARN CCc1ccccc1NC(=O)N1CCC[C@H](O)C1 ZINC000043403185 387653059 /nfs/dbraw/zinc/65/30/59/387653059.db2.gz GECKMMYCQUTJHU-LBPRGKRZSA-N 0 0 248.326 2.238 50 0 BEAARN CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000049930634 387683476 /nfs/dbraw/zinc/68/34/76/387683476.db2.gz TYJGVPBXNRCDBD-UHFFFAOYSA-N 0 0 231.217 2.384 50 0 BEAARN CO[C@H](C)CCOC(=O)c1cccc2c[nH]nc21 ZINC000078949294 387743714 /nfs/dbraw/zinc/74/37/14/387743714.db2.gz SRDZNBCCWJRFFF-SECBINFHSA-N 0 0 248.282 2.145 50 0 BEAARN Cc1cc(C)n(CCO[C@@H]2CCCCO2)n1 ZINC000192839166 387707138 /nfs/dbraw/zinc/70/71/38/387707138.db2.gz JFDAJTIBBRCYEN-GFCCVEGCSA-N 0 0 224.304 2.043 50 0 BEAARN CCONC(=O)c1cc(SC)ccc1C ZINC000036393327 387788170 /nfs/dbraw/zinc/78/81/70/387788170.db2.gz LZIDCMNSUYUOIS-UHFFFAOYSA-N 0 0 225.313 2.398 50 0 BEAARN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2O)cc1 ZINC000006922956 387873074 /nfs/dbraw/zinc/87/30/74/387873074.db2.gz WYQVMNNOJHPEAF-VXGBXAGGSA-N 0 0 234.299 2.030 50 0 BEAARN O=C1CCOc2c(F)ccc(Cl)c21 ZINC000075882202 387855272 /nfs/dbraw/zinc/85/52/72/387855272.db2.gz LJRZQDARYMVTSS-UHFFFAOYSA-N 0 0 200.596 2.444 50 0 BEAARN Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2O)cc1 ZINC000006922979 387872076 /nfs/dbraw/zinc/87/20/76/387872076.db2.gz WYQVMNNOJHPEAF-NWDGAFQWSA-N 0 0 234.299 2.030 50 0 BEAARN CCOCCSc1ncn(-c2ccccc2)n1 ZINC000006783956 387896777 /nfs/dbraw/zinc/89/67/77/387896777.db2.gz QKXXTTLBRCSTBX-UHFFFAOYSA-N 0 0 249.339 2.396 50 0 BEAARN COc1ncnc2c1oc1nc(C)cc(C)c12 ZINC000006759755 387883873 /nfs/dbraw/zinc/88/38/73/387883873.db2.gz JWYSXVKFPTZDDG-UHFFFAOYSA-N 0 0 229.239 2.396 50 0 BEAARN CCOCCNc1ncnc2ccsc21 ZINC000036230046 387887748 /nfs/dbraw/zinc/88/77/48/387887748.db2.gz RWVKXUXSUBJLII-UHFFFAOYSA-N 0 0 223.301 2.140 50 0 BEAARN Cc1cc(C)c(C=O)c(-n2cccn2)c1 ZINC000019089522 177856353 /nfs/dbraw/zinc/85/63/53/177856353.db2.gz XUMYFVVVQGGVSQ-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1noc(C2(NC(=O)C3CC3)CCCCC2)n1 ZINC000065257749 387935379 /nfs/dbraw/zinc/93/53/79/387935379.db2.gz WQRWROYIORGGCM-UHFFFAOYSA-N 0 0 249.314 2.064 50 0 BEAARN Cc1noc(CN2CCC[C@H](C(F)(F)F)C2)n1 ZINC000065549886 387979292 /nfs/dbraw/zinc/97/92/92/387979292.db2.gz VXENOVPWFXCUJY-QMMMGPOBSA-N 0 0 249.236 2.152 50 0 BEAARN O=C([O-])C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000036885918 387996870 /nfs/dbraw/zinc/99/68/70/387996870.db2.gz NEXNXCCQOIONAE-UHFFFAOYSA-N 0 0 237.274 2.122 50 0 BEAARN Cc1cc(C)nc(-c2ccc(CO)cc2)n1 ZINC000065488149 388003199 /nfs/dbraw/zinc/00/31/99/388003199.db2.gz OKLMKGVBZKRDNC-UHFFFAOYSA-N 0 0 214.268 2.253 50 0 BEAARN Cc1n[nH]cc1CNc1ccc2c(c1)OCCO2 ZINC000036901494 388006053 /nfs/dbraw/zinc/00/60/53/388006053.db2.gz DZDANHIJYMJPCP-UHFFFAOYSA-N 0 0 245.282 2.101 50 0 BEAARN Cc1cc(C(=O)NCCc2cccc(F)c2)no1 ZINC000047833881 177785799 /nfs/dbraw/zinc/78/57/99/177785799.db2.gz BUGSTGJFRAQDSK-UHFFFAOYSA-N 0 0 248.257 2.095 50 0 BEAARN CSCCC(=O)NCc1ccc(C)s1 ZINC000065539408 388085290 /nfs/dbraw/zinc/08/52/90/388085290.db2.gz GVTZRROKOSLUGR-UHFFFAOYSA-N 0 0 229.370 2.426 50 0 BEAARN O=C(CCC(=O)c1ccccc1)Nc1cc[nH]n1 ZINC000065542692 388085350 /nfs/dbraw/zinc/08/53/50/388085350.db2.gz DVLYDIQSTJMBSW-UHFFFAOYSA-N 0 0 243.266 2.011 50 0 BEAARN Cc1cc(C(=O)NCC(C)(C)O)ccc1Cl ZINC000097227767 177777112 /nfs/dbraw/zinc/77/71/12/177777112.db2.gz AEAQBSJEAIHBGN-UHFFFAOYSA-N 0 0 241.718 2.149 50 0 BEAARN Cc1noc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000042702698 388106719 /nfs/dbraw/zinc/10/67/19/388106719.db2.gz KAIQYLXXTYUCEP-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN CCCCN(CC)C(=O)c1ccc2n[nH]nc2c1 ZINC000071794574 388114020 /nfs/dbraw/zinc/11/40/20/388114020.db2.gz DHNNNRZZJHZNPX-UHFFFAOYSA-N 0 0 246.314 2.220 50 0 BEAARN COc1ccc([C@@H](C)NC(=O)C2CC2)cc1F ZINC000007076296 388255562 /nfs/dbraw/zinc/25/55/62/388255562.db2.gz SYGXWJBLZQSADD-MRVPVSSYSA-N 0 0 237.274 2.422 50 0 BEAARN CCC[C@H](C)C(=O)NCC1(C)CCOCC1 ZINC000169751729 388256601 /nfs/dbraw/zinc/25/66/01/388256601.db2.gz GZYLUXCQCIOSIK-NSHDSACASA-N 0 0 227.348 2.356 50 0 BEAARN Cc1cnc(CNc2nc(C(C)C)no2)o1 ZINC000170615794 388257755 /nfs/dbraw/zinc/25/77/55/388257755.db2.gz VYGAKWMDEZVJHC-UHFFFAOYSA-N 0 0 222.248 2.102 50 0 BEAARN Cc1cnc(C[S@@](=O)C2CCCCC2)cn1 ZINC000170615912 388257982 /nfs/dbraw/zinc/25/79/82/388257982.db2.gz JMHDODXTGBDDTJ-MRXNPFEDSA-N 0 0 238.356 2.366 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000016603721 177769970 /nfs/dbraw/zinc/76/99/70/177769970.db2.gz UEJNWZVOWFRQFW-DTORHVGOSA-N 0 0 239.340 2.306 50 0 BEAARN O=c1ccc(-n2cnc(-c3ccccc3)c2)c[nH]1 ZINC000065370608 388259653 /nfs/dbraw/zinc/25/96/53/388259653.db2.gz IKIDFBQVOMUISY-UHFFFAOYSA-N 0 0 237.262 2.228 50 0 BEAARN CN(CCOc1ccccc1)Cc1cocn1 ZINC000170607007 388245756 /nfs/dbraw/zinc/24/57/56/388245756.db2.gz ZBDKJNASTVONEP-UHFFFAOYSA-N 0 0 232.283 2.185 50 0 BEAARN CC[C@H](CO)NC(=S)Nc1cccc(C)c1 ZINC000007526410 388247725 /nfs/dbraw/zinc/24/77/25/388247725.db2.gz OEYQNLAIZPQLSK-SNVBAGLBSA-N 0 0 238.356 2.052 50 0 BEAARN CCCn1cc(-c2nnc(C3CC3)[nH]2)c(C)n1 ZINC000065406936 388293516 /nfs/dbraw/zinc/29/35/16/388293516.db2.gz AISSFNLNQASQKV-UHFFFAOYSA-N 0 0 231.303 2.264 50 0 BEAARN Cc1nnc2ccc(NC[C@H]3CC=CCC3)nn12 ZINC000068692806 388270694 /nfs/dbraw/zinc/27/06/94/388270694.db2.gz ADYWHHVBNCSJHD-NSHDSACASA-N 0 0 243.314 2.201 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000028574054 388347040 /nfs/dbraw/zinc/34/70/40/388347040.db2.gz XDXCTDRMTKDFPF-NSHDSACASA-N 0 0 243.310 2.220 50 0 BEAARN CNc1ccc(Nc2cc(C)nc(C)n2)cn1 ZINC000131595971 388347146 /nfs/dbraw/zinc/34/71/46/388347146.db2.gz YDAPRVATNWVMRP-UHFFFAOYSA-N 0 0 229.287 2.274 50 0 BEAARN O=C(Nc1nccs1)[C@@H]1CC=CCC1 ZINC000008428900 388404721 /nfs/dbraw/zinc/40/47/21/388404721.db2.gz BQFZGTDKJXHBIO-MRVPVSSYSA-N 0 0 208.286 2.438 50 0 BEAARN c1ccc2oc(NC[C@H]3CCCO3)nc2c1 ZINC000029219445 388354313 /nfs/dbraw/zinc/35/43/13/388354313.db2.gz JXRFFMXVPOOWRK-SECBINFHSA-N 0 0 218.256 2.419 50 0 BEAARN Cc1ccnc(N(C)Cc2ccc(O)cc2)n1 ZINC000089635104 388355712 /nfs/dbraw/zinc/35/57/12/388355712.db2.gz XDRKDSUVDXJCRT-UHFFFAOYSA-N 0 0 229.283 2.127 50 0 BEAARN Cc1nnc(N[C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000230128829 388361457 /nfs/dbraw/zinc/36/14/57/388361457.db2.gz DMIAOYAOPPJHRG-IVZWLZJFSA-N 0 0 239.344 2.216 50 0 BEAARN CCCn1c(C)nnc1SCCCF ZINC000089706557 388362662 /nfs/dbraw/zinc/36/26/62/388362662.db2.gz RVOWBOSOTRCDMZ-UHFFFAOYSA-N 0 0 217.313 2.448 50 0 BEAARN CCOCCOC(=O)N/C=C/c1ccco1 ZINC000003104763 388363368 /nfs/dbraw/zinc/36/33/68/388363368.db2.gz WJNGJAVAJPOFGU-AATRIKPKSA-N 0 0 225.244 2.013 50 0 BEAARN O=C(Nc1nnc(-c2cccc(F)c2)o1)C1CC1 ZINC000038552596 388405186 /nfs/dbraw/zinc/40/51/86/388405186.db2.gz QPDWIGUFMLVMSY-UHFFFAOYSA-N 0 0 247.229 2.224 50 0 BEAARN c1cncc(-c2nnc3n2CCCCC3)c1 ZINC000003226124 388369974 /nfs/dbraw/zinc/36/99/74/388369974.db2.gz XCNFBPXYJPORHD-UHFFFAOYSA-N 0 0 214.272 2.067 50 0 BEAARN c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc1 ZINC000089883884 388370386 /nfs/dbraw/zinc/37/03/86/388370386.db2.gz WSGJFAJTPSMXBT-UTUOFQBUSA-N 0 0 218.300 2.451 50 0 BEAARN CCN(CCO)C(=S)Nc1ccccc1C ZINC000003276547 388370544 /nfs/dbraw/zinc/37/05/44/388370544.db2.gz BDWVONFCKKNGLD-UHFFFAOYSA-N 0 0 238.356 2.006 50 0 BEAARN CN(Cc1ccccc1)Cn1ncn(C)c1=S ZINC000003258000 388370846 /nfs/dbraw/zinc/37/08/46/388370846.db2.gz KAGXRWFHLZMNOP-UHFFFAOYSA-N 0 0 248.355 2.041 50 0 BEAARN CCOCCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000067228433 388405446 /nfs/dbraw/zinc/40/54/46/388405446.db2.gz SXPHZRKYIZFDIU-ZFWWWQNUSA-N 0 0 249.354 2.485 50 0 BEAARN CCO[C@@H]1C[C@@H](NC(=O)C2CC2)C12CCCC2 ZINC000089986044 388379123 /nfs/dbraw/zinc/37/91/23/388379123.db2.gz CNPBHIFLTQFHAA-VXGBXAGGSA-N 0 0 237.343 2.250 50 0 BEAARN O=C(C/C=C\c1ccccc1F)N1CCC1 ZINC000530932862 388406204 /nfs/dbraw/zinc/40/62/04/388406204.db2.gz WXKZTEYVUXJPOE-UTCJRWHESA-N 0 0 219.259 2.461 50 0 BEAARN COC(=O)c1cccc(-c2c[nH]c(C)n2)c1 ZINC000032511809 388398833 /nfs/dbraw/zinc/39/88/33/388398833.db2.gz YZYYWDBMSVQPMN-UHFFFAOYSA-N 0 0 216.240 2.172 50 0 BEAARN Cc1nc(COC(=O)C2CCCCC2)no1 ZINC000071810713 388445935 /nfs/dbraw/zinc/44/59/35/388445935.db2.gz ZTWNXOOLEVSNLK-UHFFFAOYSA-N 0 0 224.260 2.002 50 0 BEAARN CSCc1nnc(S[C@H](C)C(C)=O)o1 ZINC000071843829 388446610 /nfs/dbraw/zinc/44/66/10/388446610.db2.gz YXXCGTDVAWTGNI-ZCFIWIBFSA-N 0 0 232.330 2.002 50 0 BEAARN COC(=O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000055506535 388463098 /nfs/dbraw/zinc/46/30/98/388463098.db2.gz BFZWFTYQVMTZEB-LBPRGKRZSA-N 0 0 237.274 2.136 50 0 BEAARN Cc1ccc(NC(=O)N(C)C[C@H]2CCOC2)cc1 ZINC000175153285 388469264 /nfs/dbraw/zinc/46/92/64/388469264.db2.gz WYIUKYGZGNWFMQ-GFCCVEGCSA-N 0 0 248.326 2.495 50 0 BEAARN COC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000007801428 388474904 /nfs/dbraw/zinc/47/49/04/388474904.db2.gz YRMMRZLPGIMWEW-GXSJLCMTSA-N 0 0 247.294 2.376 50 0 BEAARN Cc1c2ccccc2[nH]c(=O)c1-c1cc[nH]n1 ZINC000067955997 388408166 /nfs/dbraw/zinc/40/81/66/388408166.db2.gz ABUWBLIUEBKGMI-UHFFFAOYSA-N 0 0 225.251 2.227 50 0 BEAARN CSCCC(=O)NCCc1ccsc1 ZINC000040074344 388411812 /nfs/dbraw/zinc/41/18/12/388411812.db2.gz QIPDSGWWOOIWMA-UHFFFAOYSA-N 0 0 229.370 2.160 50 0 BEAARN COC[C@@H](C)NC(=O)c1ccc(F)cc1Cl ZINC000069097879 388412980 /nfs/dbraw/zinc/41/29/80/388412980.db2.gz KFENKVCMKYLSLH-SSDOTTSWSA-N 0 0 245.681 2.244 50 0 BEAARN CN(C)c1ccccc1NC(=O)NC1CC1 ZINC000069418999 388416047 /nfs/dbraw/zinc/41/60/47/388416047.db2.gz DHZMRQZSHRUODU-UHFFFAOYSA-N 0 0 219.288 2.037 50 0 BEAARN O=C1OC(c2ccco2)=N/C1=C/c1cccnc1 ZINC000000430259 388416925 /nfs/dbraw/zinc/41/69/25/388416925.db2.gz PYHNSKNEOCMIJE-JXMROGBWSA-N 0 0 240.218 2.019 50 0 BEAARN O=C(CC(F)(F)F)NCCc1cccs1 ZINC000040490342 388417721 /nfs/dbraw/zinc/41/77/21/388417721.db2.gz NYSPLEHCRUIAMY-UHFFFAOYSA-N 0 0 237.246 2.359 50 0 BEAARN O=C(CC1CCCC1)NCCc1cccnc1 ZINC000040490440 388417831 /nfs/dbraw/zinc/41/78/31/388417831.db2.gz RMIXGGUIFQLKHO-UHFFFAOYSA-N 0 0 232.327 2.321 50 0 BEAARN CC(C)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000069703254 388424930 /nfs/dbraw/zinc/42/49/30/388424930.db2.gz YJAAJKNMOMKPTN-LBPRGKRZSA-N 0 0 241.356 2.275 50 0 BEAARN Fc1cccc(CN2CC(n3cccn3)C2)c1 ZINC000069738505 388425761 /nfs/dbraw/zinc/42/57/61/388425761.db2.gz QPFHZNVVSIOWOQ-UHFFFAOYSA-N 0 0 231.274 2.079 50 0 BEAARN CCN(Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000193778764 388431565 /nfs/dbraw/zinc/43/15/65/388431565.db2.gz FCEQDGZYHIAIIU-UHFFFAOYSA-N 0 0 244.298 2.116 50 0 BEAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCCC1 ZINC000070248391 388435132 /nfs/dbraw/zinc/43/51/32/388435132.db2.gz LERVCDRNANXKGO-UHFFFAOYSA-N 0 0 241.294 2.313 50 0 BEAARN CC(C)CCNC(=O)c1cc(C2CC2)on1 ZINC000041452824 388435969 /nfs/dbraw/zinc/43/59/69/388435969.db2.gz QYEJAARCDAYDNZ-UHFFFAOYSA-N 0 0 222.288 2.328 50 0 BEAARN Cc1n[nH]c(C)c1CNC(=O)c1cccc(F)c1 ZINC000041566851 388438470 /nfs/dbraw/zinc/43/84/70/388438470.db2.gz IVVHOPNIYLRAJF-UHFFFAOYSA-N 0 0 247.273 2.096 50 0 BEAARN O=C(Nc1ncccn1)Nc1ccccc1F ZINC000000398206 388586357 /nfs/dbraw/zinc/58/63/57/388586357.db2.gz JZCOLLQCNVSDIY-UHFFFAOYSA-N 0 0 232.218 2.260 50 0 BEAARN Cc1noc(CSCCOCC(C)C)n1 ZINC000225702737 388587951 /nfs/dbraw/zinc/58/79/51/388587951.db2.gz RNQIEIXLGWOJTH-UHFFFAOYSA-N 0 0 230.333 2.284 50 0 BEAARN CC(C)(C)C[C@H](CO)NC(=O)C1C=CC=CC=C1 ZINC000253407647 388591005 /nfs/dbraw/zinc/59/10/05/388591005.db2.gz HJYQWCXJBCEYOR-CYBMUJFWSA-N 0 0 249.354 2.198 50 0 BEAARN CN(Cc1csc(Cl)n1)c1cnn(C)c1 ZINC000253429726 388592503 /nfs/dbraw/zinc/59/25/03/388592503.db2.gz OONNGWQFRODKDI-UHFFFAOYSA-N 0 0 242.735 2.166 50 0 BEAARN c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc1 ZINC000242147494 388595572 /nfs/dbraw/zinc/59/55/72/388595572.db2.gz WSGJFAJTPSMXBT-TUAOUCFPSA-N 0 0 218.300 2.451 50 0 BEAARN CCc1ccc(CC(=S)N2CCOCC2)cc1 ZINC000000225467 388610962 /nfs/dbraw/zinc/61/09/62/388610962.db2.gz IITIUZZRCVRTMG-UHFFFAOYSA-N 0 0 249.379 2.451 50 0 BEAARN C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245469146 388582596 /nfs/dbraw/zinc/58/25/96/388582596.db2.gz UTNHAFKBJSVKNM-KVSVUVNWSA-N 0 0 237.343 2.058 50 0 BEAARN Cc1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000008856370 388673517 /nfs/dbraw/zinc/67/35/17/388673517.db2.gz DXFYIRYRFDCQBZ-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN C[C@@H](NC(=O)c1ncccc1O)c1cccs1 ZINC000037760720 388646094 /nfs/dbraw/zinc/64/60/94/388646094.db2.gz VEBNHZUYNSIFGC-MRVPVSSYSA-N 0 0 248.307 2.340 50 0 BEAARN CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000084105255 388652315 /nfs/dbraw/zinc/65/23/15/388652315.db2.gz BUALWAOPQFQWBR-UHFFFAOYSA-N 0 0 233.246 2.278 50 0 BEAARN C[NH2+]Cc1c(OCC(=O)[O-])ccc2ccccc21 ZINC000062717003 388655225 /nfs/dbraw/zinc/65/52/25/388655225.db2.gz BFKVHWIYFXQSRQ-UHFFFAOYSA-N 0 0 245.278 2.023 50 0 BEAARN CO[C@@H](C)C(=O)N1CCc2c1cccc2Cl ZINC000089420196 388737149 /nfs/dbraw/zinc/73/71/49/388737149.db2.gz ZILSDKQDOSKIDG-QMMMGPOBSA-N 0 0 239.702 2.264 50 0 BEAARN C=CC(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000328598366 388738230 /nfs/dbraw/zinc/73/82/30/388738230.db2.gz LVCLHCZLGGVAKK-UHFFFAOYSA-N 0 0 221.304 2.133 50 0 BEAARN COC(=O)C[C@H](C)SCc1cc(C)no1 ZINC000078813006 388739682 /nfs/dbraw/zinc/73/96/82/388739682.db2.gz YGRNAVYTIKXLOM-QMMMGPOBSA-N 0 0 229.301 2.168 50 0 BEAARN COC[C@@H](C)CNc1ccc(C)nc1C ZINC000153373761 388743667 /nfs/dbraw/zinc/74/36/67/388743667.db2.gz CCOUEXUKKKTELW-VIFPVBQESA-N 0 0 208.305 2.393 50 0 BEAARN CCc1ccc(NC(=O)N2CCOCC2)cc1C ZINC000330032782 388752850 /nfs/dbraw/zinc/75/28/50/388752850.db2.gz RSQIDKBQFXOYCW-UHFFFAOYSA-N 0 0 248.326 2.422 50 0 BEAARN COC(=O)c1ccoc1CN1CCCC[C@H]1C ZINC000055255745 388693701 /nfs/dbraw/zinc/69/37/01/388693701.db2.gz AOENKAQZAYYPAE-SNVBAGLBSA-N 0 0 237.299 2.441 50 0 BEAARN COC(=O)c1ccoc1CN1CCC[C@H](C)C1 ZINC000055255705 388694304 /nfs/dbraw/zinc/69/43/04/388694304.db2.gz SLDUREQHIMSOKN-JTQLQIEISA-N 0 0 237.299 2.298 50 0 BEAARN O=C(c1cccnc1)N1CCC[C@@H]1C(F)(F)F ZINC000527629239 388699460 /nfs/dbraw/zinc/69/94/60/388699460.db2.gz HGOOCVKKLVHRPQ-SECBINFHSA-N 0 0 244.216 2.249 50 0 BEAARN CCONC(=O)c1cc(Cl)ccc1OC ZINC000012746464 388723499 /nfs/dbraw/zinc/72/34/99/388723499.db2.gz CTZUKFNMBACASY-UHFFFAOYSA-N 0 0 229.663 2.030 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1F ZINC000012979417 388727792 /nfs/dbraw/zinc/72/77/92/388727792.db2.gz NDKGSXPHKMSDJX-MWLCHTKSSA-N 0 0 221.275 2.440 50 0 BEAARN CCC[C@H]1SCCN1C(=O)[C@@H](C)OCC ZINC000118651354 388731473 /nfs/dbraw/zinc/73/14/73/388731473.db2.gz LGEUIJAJLRDQJX-NXEZZACHSA-N 0 0 231.361 2.113 50 0 BEAARN CNc1ccccc1C(=O)OCc1ccccn1 ZINC000095948028 388794350 /nfs/dbraw/zinc/79/43/50/388794350.db2.gz ZEFANOSLSUYHLO-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN CCOc1ccccc1N(C)Cc1nccn1C ZINC000095974428 388797108 /nfs/dbraw/zinc/79/71/08/388797108.db2.gz NNTDHFTTYSMRGC-UHFFFAOYSA-N 0 0 245.326 2.455 50 0 BEAARN CN(C)c1ccccc1N(C)Cc1ccon1 ZINC000095977671 388797534 /nfs/dbraw/zinc/79/75/34/388797534.db2.gz MBIWUDQEAJENTM-UHFFFAOYSA-N 0 0 231.299 2.377 50 0 BEAARN CN(C)c1ccccc1N(C)C[C@@H]1CCOC1 ZINC000095975840 388797706 /nfs/dbraw/zinc/79/77/06/388797706.db2.gz XPBUUYWOVCOHQQ-LBPRGKRZSA-N 0 0 234.343 2.225 50 0 BEAARN CCc1ccc(CNc2nncs2)o1 ZINC000095992254 388800608 /nfs/dbraw/zinc/80/06/08/388800608.db2.gz OFCBEOSHNAEDRW-UHFFFAOYSA-N 0 0 209.274 2.306 50 0 BEAARN CC[C@H](NCc1ncc(C)o1)[C@H]1CCCO1 ZINC000096013921 388803623 /nfs/dbraw/zinc/80/36/23/388803623.db2.gz UPUZMJRYQFYLLZ-WDEREUQCSA-N 0 0 224.304 2.030 50 0 BEAARN CC[C@H](NCc1ncc(C)o1)[C@@H]1CCCO1 ZINC000096013919 388804277 /nfs/dbraw/zinc/80/42/77/388804277.db2.gz UPUZMJRYQFYLLZ-QWRGUYRKSA-N 0 0 224.304 2.030 50 0 BEAARN CO[C@H]1CCCN(c2ccc(NC(C)=O)cc2)C1 ZINC000096122410 388810479 /nfs/dbraw/zinc/81/04/79/388810479.db2.gz VGRLXWPTWJZDSX-AWEZNQCLSA-N 0 0 248.326 2.260 50 0 BEAARN c1[nH]nc2ncnc(N3CCC[C@@H]4CCC[C@@H]43)c12 ZINC000095403324 388766197 /nfs/dbraw/zinc/76/61/97/388766197.db2.gz NWOUTFYLCNZFMF-ONGXEEELSA-N 0 0 243.314 2.122 50 0 BEAARN CCC[C@H]1C[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000095404375 388766485 /nfs/dbraw/zinc/76/64/85/388766485.db2.gz YKRUPRJIPZPYDD-NKWVEPMBSA-N 0 0 227.695 2.024 50 0 BEAARN Cc1csc(COC(=O)C2=CCCCO2)n1 ZINC000095426899 388769586 /nfs/dbraw/zinc/76/95/86/388769586.db2.gz JHNABGATIDZVKE-UHFFFAOYSA-N 0 0 239.296 2.189 50 0 BEAARN Cc1ccc(NCc2ccccn2)c(N(C)C)n1 ZINC000095436187 388771060 /nfs/dbraw/zinc/77/10/60/388771060.db2.gz SWMQWXUNBCOKRH-UHFFFAOYSA-N 0 0 242.326 2.463 50 0 BEAARN C[C@H](CO)NC(=O)C=C1CCC(C)(C)CC1 ZINC000095433552 388771420 /nfs/dbraw/zinc/77/14/20/388771420.db2.gz RGOGSRLFMDKHIX-SNVBAGLBSA-N 0 0 225.332 2.010 50 0 BEAARN CC(C)(C)C(=O)NOCc1cnc(Cl)s1 ZINC000095444805 388773174 /nfs/dbraw/zinc/77/31/74/388773174.db2.gz DSYWKYCSVFTXMI-UHFFFAOYSA-N 0 0 248.735 2.390 50 0 BEAARN CCCC(=O)O[C@H](C)Cc1cccnc1 ZINC000095463457 388774414 /nfs/dbraw/zinc/77/44/14/388774414.db2.gz HFGXTMRSKCIVPY-SNVBAGLBSA-N 0 0 207.273 2.356 50 0 BEAARN CC[C@@H](C)S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000096471803 388819617 /nfs/dbraw/zinc/81/96/17/388819617.db2.gz XRIYJGUNXBXSEA-SECBINFHSA-N 0 0 243.328 2.241 50 0 BEAARN CC[C@H](NC1CCSCC1)c1noc(C)n1 ZINC000096493696 388821397 /nfs/dbraw/zinc/82/13/97/388821397.db2.gz KWJCQKMBQPTQIG-JTQLQIEISA-N 0 0 241.360 2.314 50 0 BEAARN Cc1cc(C(=O)Oc2cccc(C)c2F)n(C)n1 ZINC000096500188 388821660 /nfs/dbraw/zinc/82/16/60/388821660.db2.gz CYRMHUPXPGQJBY-UHFFFAOYSA-N 0 0 248.257 2.395 50 0 BEAARN O=C(CC1CC1)N[C@@H]1CCc2ccccc2OC1 ZINC000225758032 388844657 /nfs/dbraw/zinc/84/46/57/388844657.db2.gz FGCZEXMHGALZCK-CYBMUJFWSA-N 0 0 245.322 2.297 50 0 BEAARN CC(=O)Nc1cc(CCc2ccccc2C)[nH]n1 ZINC000097108312 388832801 /nfs/dbraw/zinc/83/28/01/388832801.db2.gz YKHLHEDAUQMHDB-UHFFFAOYSA-N 0 0 243.310 2.462 50 0 BEAARN COC(=O)c1cc(N[C@H]2CCOC2)cc(C)c1C ZINC000097084888 388833116 /nfs/dbraw/zinc/83/31/16/388833116.db2.gz GNXRRYWFYZDSIX-NSHDSACASA-N 0 0 249.310 2.291 50 0 BEAARN CC(=O)c1ccc(Cc2ccc(C(C)=O)[nH]2)[nH]1 ZINC000002518953 388835484 /nfs/dbraw/zinc/83/54/84/388835484.db2.gz IVVJOABUTUNADW-UHFFFAOYSA-N 0 0 230.267 2.339 50 0 BEAARN COc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000002479500 388837309 /nfs/dbraw/zinc/83/73/09/388837309.db2.gz PNKQLEBEOMAUBB-UHFFFAOYSA-N 0 0 213.240 2.428 50 0 biogenic BEAARN Cn1nccc1NC(=O)Nc1ccsc1 ZINC000225551590 388837405 /nfs/dbraw/zinc/83/74/05/388837405.db2.gz JDXQCGNLEUFUDE-UHFFFAOYSA-N 0 0 222.273 2.126 50 0 BEAARN Cc1ccc(OCCO[C@H]2CCCCO2)nc1 ZINC000225664263 388840517 /nfs/dbraw/zinc/84/05/17/388840517.db2.gz NRVZKGIWCQMUQG-ZDUSSCGKSA-N 0 0 237.299 2.312 50 0 BEAARN Cc1cc(-c2nc(-c3cc[nH]n3)cs2)no1 ZINC000002557521 177689175 /nfs/dbraw/zinc/68/91/75/177689175.db2.gz QDFGNVIMORTBJL-UHFFFAOYSA-N 0 0 232.268 2.497 50 0 BEAARN Cc1c([C@@H](C)NC(=O)CCC(C)C)cnn1C ZINC000047492074 177625663 /nfs/dbraw/zinc/62/56/63/177625663.db2.gz UPOCFTNBFDOIAR-SNVBAGLBSA-N 0 0 237.347 2.342 50 0 BEAARN Cc1nc(Cl)c(N)c(N2CCC(C)CC2)n1 ZINC000024993450 132311990 /nfs/dbraw/zinc/31/19/90/132311990.db2.gz WUXLHYZLXQBFCL-UHFFFAOYSA-N 0 0 240.738 2.257 50 0 BEAARN C/C=C\C(=O)OCC(=O)Nc1cccc(C)c1 ZINC000006502730 322815977 /nfs/dbraw/zinc/81/59/77/322815977.db2.gz DDOPWULHIXTFDI-HYXAFXHYSA-N 0 0 233.267 2.053 50 0 BEAARN CC(C)CC(=O)NC[C@@H](O)c1ccccc1F ZINC000096445840 166765007 /nfs/dbraw/zinc/76/50/07/166765007.db2.gz QWKZYQVMIVFMRD-GFCCVEGCSA-N 0 0 239.290 2.021 50 0 BEAARN FC1=CCCN(c2ncc(Cl)cn2)C1 ZINC000274268675 132202470 /nfs/dbraw/zinc/20/24/70/132202470.db2.gz DPXNWVHBAICRPE-UHFFFAOYSA-N 0 0 213.643 2.194 50 0 BEAARN FC1=CCCN(c2ncnc3[nH]ccc32)C1 ZINC000274326612 132202964 /nfs/dbraw/zinc/20/29/64/132202964.db2.gz VICFJAYCPQTICR-UHFFFAOYSA-N 0 0 218.235 2.021 50 0 BEAARN Cc1cncc(N2CCc3ccccc3C2)n1 ZINC000302130200 132260782 /nfs/dbraw/zinc/26/07/82/132260782.db2.gz GNAMJOQAOJFPFK-UHFFFAOYSA-N 0 0 225.295 2.348 50 0 BEAARN CSC1=NN(c2ccccc2)C(=O)CS1 ZINC000019878888 132311464 /nfs/dbraw/zinc/31/14/64/132311464.db2.gz CIKYNFRXBOIDRM-UHFFFAOYSA-N 0 0 238.337 2.400 50 0 BEAARN CC(=O)c1ccc(N2CCCCC2)c(N)c1 ZINC000000150185 132312951 /nfs/dbraw/zinc/31/29/51/132312951.db2.gz XWGSSJKRNQYKBU-UHFFFAOYSA-N 0 0 218.300 2.462 50 0 BEAARN Clc1nc2ccccc2nc1N1CCOCC1 ZINC000000333994 132313432 /nfs/dbraw/zinc/31/34/32/132313432.db2.gz FMGODTXGSITMNK-UHFFFAOYSA-N 0 0 249.701 2.120 50 0 BEAARN CC(C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000000447599 132313661 /nfs/dbraw/zinc/31/36/61/132313661.db2.gz GMBGIJWMVZWPKH-UHFFFAOYSA-N 0 0 248.326 2.118 50 0 BEAARN O=C(C1CC1)N1CCCc2ccccc21 ZINC000000512436 132313765 /nfs/dbraw/zinc/31/37/65/132313765.db2.gz QTRLWGAUZFYWKQ-UHFFFAOYSA-N 0 0 201.269 2.376 50 0 BEAARN c1ccn(-c2ccc(N3CCOCC3)cc2)c1 ZINC000000452948 132313743 /nfs/dbraw/zinc/31/37/43/132313743.db2.gz VJGOAQUQJGASLY-UHFFFAOYSA-N 0 0 228.295 2.314 50 0 BEAARN O=C(C1CCC1)N1CCN(c2ccccc2)CC1 ZINC000001357150 132314021 /nfs/dbraw/zinc/31/40/21/132314021.db2.gz CYDGFBIPYYSQGC-UHFFFAOYSA-N 0 0 244.338 2.135 50 0 BEAARN C[C@H]1CC(=O)c2cnc(N3CCCCC3)nc2C1 ZINC000002339789 132314945 /nfs/dbraw/zinc/31/49/45/132314945.db2.gz GYLQOXWDRLWNBU-SNVBAGLBSA-N 0 0 245.326 2.232 50 0 BEAARN Cc1ccc2c(c1)[C@@H](O)C[C@@H](C)N2N=O ZINC000004673448 132316750 /nfs/dbraw/zinc/31/67/50/132316750.db2.gz FLFNKEWNZOUJJU-KCJUWKMLSA-N 0 0 206.245 2.308 50 0 BEAARN CCCN1CNC(=S)N(c2ccccc2C)C1 ZINC000013572335 132322025 /nfs/dbraw/zinc/32/20/25/132322025.db2.gz BSUUVPWYXYJVNG-UHFFFAOYSA-N 0 0 249.383 2.317 50 0 BEAARN CC(C)COC(=O)N1CC(=O)Nc2ccccc21 ZINC000015671546 132322896 /nfs/dbraw/zinc/32/28/96/132322896.db2.gz MPOLHVCSINJJDM-UHFFFAOYSA-N 0 0 248.282 2.238 50 0 BEAARN Cc1ccc2c(c1)CCCN2CC(=O)NC1CC1 ZINC000015298799 132322970 /nfs/dbraw/zinc/32/29/70/132322970.db2.gz CCYBCCOXKGEQQE-UHFFFAOYSA-N 0 0 244.338 2.026 50 0 BEAARN CC(=O)c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000019871017 132328259 /nfs/dbraw/zinc/32/82/59/132328259.db2.gz MILOLCCSOYVTEC-SNVBAGLBSA-N 0 0 219.284 2.114 50 0 BEAARN Cc1noc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000020941878 132331953 /nfs/dbraw/zinc/33/19/53/132331953.db2.gz WGFNZSHVUROCQV-QMMMGPOBSA-N 0 0 232.287 2.305 50 0 BEAARN Cc1nn(C)c2c1ncnc2N1CCCC[C@H]1C ZINC000032649411 132335594 /nfs/dbraw/zinc/33/55/94/132335594.db2.gz ABZFAGMPMKZZPU-SECBINFHSA-N 0 0 245.330 2.051 50 0 BEAARN CC(=O)c1c(F)cccc1N1CCOC[C@H]1C ZINC000035237038 132337825 /nfs/dbraw/zinc/33/78/25/132337825.db2.gz ZEDNIJVJYNZVIA-SECBINFHSA-N 0 0 237.274 2.253 50 0 BEAARN Cc1cc(C(=O)N2CCOc3ccccc32)on1 ZINC000036763886 132342585 /nfs/dbraw/zinc/34/25/85/132342585.db2.gz JMJPMOMBGCMWCX-UHFFFAOYSA-N 0 0 244.250 2.022 50 0 BEAARN C[C@@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000040422332 132347234 /nfs/dbraw/zinc/34/72/34/132347234.db2.gz GAYVBGWDNBOZRY-MRVPVSSYSA-N 0 0 211.696 2.366 50 0 BEAARN FC(F)(F)c1ccc(N2CCCCC2)nn1 ZINC000040448197 132347840 /nfs/dbraw/zinc/34/78/40/132347840.db2.gz FCWFBCWODHGNTP-UHFFFAOYSA-N 0 0 231.221 2.486 50 0 BEAARN COC1CCN(c2cnc3ccccc3n2)CC1 ZINC000041873331 132350675 /nfs/dbraw/zinc/35/06/75/132350675.db2.gz BNTLSAYIQPIOGY-UHFFFAOYSA-N 0 0 243.310 2.245 50 0 BEAARN CC(=O)N1C[C@@H](C)Oc2cc(C)ccc21 ZINC000064554689 132389750 /nfs/dbraw/zinc/38/97/50/132389750.db2.gz QSBACAAWFMHKQG-SECBINFHSA-N 0 0 205.257 2.129 50 0 BEAARN c1cc2ncnc(N3CCSCC3)c2s1 ZINC000071811098 132395328 /nfs/dbraw/zinc/39/53/28/132395328.db2.gz NXPKYZDTYDHIKB-UHFFFAOYSA-N 0 0 237.353 2.245 50 0 BEAARN Nc1ccc2ncnc(N3CCCCC3)c2c1 ZINC000081589041 132411832 /nfs/dbraw/zinc/41/18/32/132411832.db2.gz CMALZVFPTOYUSD-UHFFFAOYSA-N 0 0 228.299 2.202 50 0 BEAARN CSC1=NC[C@H](C)[C@H](O)N1c1ccccc1 ZINC000005358945 132442782 /nfs/dbraw/zinc/44/27/82/132442782.db2.gz JFYHSGINBJLCFM-ONGXEEELSA-N 0 0 236.340 2.180 50 0 BEAARN O=Cc1cccnc1N1CCCC(F)(F)C1 ZINC000169725583 132445597 /nfs/dbraw/zinc/44/55/97/132445597.db2.gz YAHVGEBEWVZOFX-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN O=Cc1ncccc1N1CCCC(F)(F)C1 ZINC000169725606 132445632 /nfs/dbraw/zinc/44/56/32/132445632.db2.gz WEKMBINMYUAYDU-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN FC(F)(F)c1ccnc(N2CCCCO2)n1 ZINC000225507058 132454032 /nfs/dbraw/zinc/45/40/32/132454032.db2.gz RDYNTQYZGHIZMZ-UHFFFAOYSA-N 0 0 233.193 2.027 50 0 BEAARN O=C(NC1CCC(F)(F)CC1)c1cc[nH]c1 ZINC000335935761 134012464 /nfs/dbraw/zinc/01/24/64/134012464.db2.gz KGLJIILMRUKVNP-UHFFFAOYSA-N 0 0 228.242 2.322 50 0 BEAARN Cc1cc(C(=O)N[C@H]2CC[C@@H](F)C2)ccn1 ZINC000335982829 134038103 /nfs/dbraw/zinc/03/81/03/134038103.db2.gz HPTDKJCYCXNQSG-MNOVXSKESA-N 0 0 222.263 2.010 50 0 BEAARN CN(C(=O)C1CC1)C1CCC(F)(F)CC1 ZINC000335986974 134039162 /nfs/dbraw/zinc/03/91/62/134039162.db2.gz YCUGORCJGKEMOY-UHFFFAOYSA-N 0 0 217.259 2.433 50 0 BEAARN CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000224944837 134352214 /nfs/dbraw/zinc/35/22/14/134352214.db2.gz KKWPFLRUMSAEPL-WOPDTQHZSA-N 0 0 226.364 2.199 50 0 BEAARN CCc1nnc(CN(C)Cc2ccc(C)o2)o1 ZINC000054105373 134386833 /nfs/dbraw/zinc/38/68/33/134386833.db2.gz MHEYTADGWRHLGI-UHFFFAOYSA-N 0 0 235.287 2.165 50 0 BEAARN O=C(NCCCCO)Nc1csc(Cl)c1 ZINC000408514829 134808496 /nfs/dbraw/zinc/80/84/96/134808496.db2.gz XVKDDHADEOPWEA-UHFFFAOYSA-N 0 0 248.735 2.296 50 0 BEAARN CCc1nc(C)c(Cn2ccc(C)cc2=O)o1 ZINC000408518775 134810701 /nfs/dbraw/zinc/81/07/01/134810701.db2.gz ZGLGAFYXNZTUKO-UHFFFAOYSA-N 0 0 232.283 2.064 50 0 BEAARN CC[C@H](c1ccccc1)[C@@H]1CNC(=O)C1 ZINC000238293818 134849048 /nfs/dbraw/zinc/84/90/48/134849048.db2.gz RJQXMTQXSQXQNP-NWDGAFQWSA-N 0 0 203.285 2.316 50 0 BEAARN O=C1N[C@H](c2ccc(Br)cc2)CO1 ZINC000071783034 134932816 /nfs/dbraw/zinc/93/28/16/134932816.db2.gz ZMFGCUVSMQUNBH-QMMMGPOBSA-N 0 0 242.072 2.230 50 0 BEAARN CC(C)[C@@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000263392298 135351295 /nfs/dbraw/zinc/35/12/95/135351295.db2.gz YVZAFEOYAIJUGR-HZSPNIEDSA-N 0 0 247.338 2.489 50 0 BEAARN Cc1nccc(N2CCC(F)(F)[C@H](C)C2)n1 ZINC000334387092 135383367 /nfs/dbraw/zinc/38/33/67/135383367.db2.gz OSAOPOKJUDWXDA-MRVPVSSYSA-N 0 0 227.258 2.267 50 0 BEAARN CO[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000334414948 135397226 /nfs/dbraw/zinc/39/72/26/135397226.db2.gz MTESPZZUJJKHDV-SNVBAGLBSA-N 0 0 211.330 2.277 50 0 BEAARN C[C@@H]1C[C@H](O)CN(c2nccc3occc32)C1 ZINC000334714926 135402644 /nfs/dbraw/zinc/40/26/44/135402644.db2.gz JUMZMFGZHMTMDR-ZJUUUORDSA-N 0 0 232.283 2.035 50 0 BEAARN O=C(N[C@@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000335316408 136025158 /nfs/dbraw/zinc/02/51/58/136025158.db2.gz NSLWDKZVFDXDEY-GHMZBOCLSA-N 0 0 207.248 2.307 50 0 BEAARN CN(Cc1ccc[nH]1)C(=O)[C@@]1(C)CC1(F)F ZINC000335559388 136100604 /nfs/dbraw/zinc/10/06/04/136100604.db2.gz YGFMEFGSPFLSIT-SNVBAGLBSA-N 0 0 228.242 2.018 50 0 BEAARN CC1=CCN(C(=O)NCC[C@H](C)F)CC1 ZINC000335575115 136110541 /nfs/dbraw/zinc/11/05/41/136110541.db2.gz CXRFIQSJTLBQTJ-JTQLQIEISA-N 0 0 214.284 2.096 50 0 BEAARN CC1CN(C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC000335577242 136111247 /nfs/dbraw/zinc/11/12/47/136111247.db2.gz UJCRARAGFDGFDX-VIFPVBQESA-N 0 0 217.259 2.290 50 0 BEAARN CO[C@H](C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000078974525 397968000 /nfs/dbraw/zinc/96/80/00/397968000.db2.gz FOHTXAJZYGDIFL-GRYCIOLGSA-N 0 0 235.327 2.330 50 0 BEAARN CO[C@H](C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000078974517 397968002 /nfs/dbraw/zinc/96/80/02/397968002.db2.gz FOHTXAJZYGDIFL-QJPTWQEYSA-N 0 0 235.327 2.330 50 0 BEAARN Cc1ccc(C(=O)NCc2ccncc2)cc1F ZINC000012536751 397905111 /nfs/dbraw/zinc/90/51/11/397905111.db2.gz HLDATVJVNDAGEQ-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000000432952 397914673 /nfs/dbraw/zinc/91/46/73/397914673.db2.gz RXJKBEUFCXFTBD-LJLILKBBSA-N 0 0 249.285 2.134 50 0 BEAARN CCC[C@H](CCOC(C)=O)SC(C)=O ZINC000004283567 397923680 /nfs/dbraw/zinc/92/36/80/397923680.db2.gz GSJSVAFGVJLTNQ-SNVBAGLBSA-N 0 0 218.318 2.388 50 0 endogenous,in-man BEAARN Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000048368147 398011595 /nfs/dbraw/zinc/01/15/95/398011595.db2.gz CTKZZOKQHZDHHB-AWEZNQCLSA-N 0 0 249.354 2.139 50 0 BEAARN Cn1ncc(C=O)c1-c1ccc(F)cc1 ZINC000034929338 398018082 /nfs/dbraw/zinc/01/80/82/398018082.db2.gz KDOBULPPDRXTKE-UHFFFAOYSA-N 0 0 204.204 2.039 50 0 BEAARN CSCC(=O)N[C@H]1CCc2ccccc21 ZINC000025398381 398026504 /nfs/dbraw/zinc/02/65/04/398026504.db2.gz WXTZYVIXHUWMQW-NSHDSACASA-N 0 0 221.325 2.153 50 0 BEAARN CCCCNC(=O)c1[nH]nc2ccccc21 ZINC000012519514 398042532 /nfs/dbraw/zinc/04/25/32/398042532.db2.gz DDWMEFWCWPYCGX-UHFFFAOYSA-N 0 0 217.272 2.093 50 0 BEAARN COC(=O)c1cccc(-c2cccc(C=O)n2)c1 ZINC000025757768 397985841 /nfs/dbraw/zinc/98/58/41/397985841.db2.gz JDCVVFJRIBJMGT-UHFFFAOYSA-N 0 0 241.246 2.348 50 0 BEAARN Cc1nc(Cl)cc(NC[C@]2(C)CCOC2)n1 ZINC000079089902 398065782 /nfs/dbraw/zinc/06/57/82/398065782.db2.gz SZPCDOTVSUEDCR-NSHDSACASA-N 0 0 241.722 2.277 50 0 BEAARN CCN(CC)c1nc(Cl)ncc1F ZINC000059549663 398075677 /nfs/dbraw/zinc/07/56/77/398075677.db2.gz IKGKESMWFPFIOX-UHFFFAOYSA-N 0 0 203.648 2.115 50 0 BEAARN Cc1cc(C)cc(C(=O)N2CCO[C@@H](C)C2)c1 ZINC000032865148 398084628 /nfs/dbraw/zinc/08/46/28/398084628.db2.gz ZBEJHGUJSCBNQV-LBPRGKRZSA-N 0 0 233.311 2.164 50 0 BEAARN c1ccc2c(c1)nc1n3c(nnc2-1)SCCC3 ZINC000001062097 398084584 /nfs/dbraw/zinc/08/45/84/398084584.db2.gz UIOCWCKDHWUHQQ-UHFFFAOYSA-N 0 0 242.307 2.427 50 0 BEAARN O=c1ccc(-c2noc(-c3ccccc3)n2)c[nH]1 ZINC000075505358 398086526 /nfs/dbraw/zinc/08/65/26/398086526.db2.gz ALZPMZZATMAKNR-UHFFFAOYSA-N 0 0 239.234 2.092 50 0 BEAARN COC(=O)c1[nH]c2c(cccc2F)c1C ZINC000066324259 398090860 /nfs/dbraw/zinc/09/08/60/398090860.db2.gz MUHXAYGORUNHSG-UHFFFAOYSA-N 0 0 207.204 2.402 50 0 BEAARN CCO[C@H]1C[C@@H](N(C)C(C)=O)C12CCCC2 ZINC000084800824 322865665 /nfs/dbraw/zinc/86/56/65/322865665.db2.gz YBYWZUVNRBPVRD-NEPJUHHUSA-N 0 0 225.332 2.203 50 0 BEAARN CC(C)NC(=O)c1nc2ccccc2s1 ZINC000000612474 167091717 /nfs/dbraw/zinc/09/17/17/167091717.db2.gz NCLPSJQUAFVAIZ-UHFFFAOYSA-N 0 0 220.297 2.435 50 0 BEAARN CC(C)NC(=O)c1ncoc1-c1ccco1 ZINC000021642132 167091729 /nfs/dbraw/zinc/09/17/29/167091729.db2.gz ZYXLZVRSVNSVFQ-UHFFFAOYSA-N 0 0 220.228 2.073 50 0 BEAARN Cc1cnn(Cc2cc(C3CC3)no2)c1 ZINC000585098063 487578136 /nfs/dbraw/zinc/57/81/36/487578136.db2.gz IVRJMKAORORVEY-UHFFFAOYSA-N 0 0 203.245 2.105 50 0 BEAARN CC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000039369616 322905697 /nfs/dbraw/zinc/90/56/97/322905697.db2.gz GWITZVQYQPVXQC-UHFFFAOYSA-N 0 0 203.241 2.164 50 0 BEAARN Cc1ccc2oc(=N[C@H](C)C3(CO)CC3)[nH]c2c1 ZINC000585098971 487579061 /nfs/dbraw/zinc/57/90/61/487579061.db2.gz XXLIDIHESRJTDE-SNVBAGLBSA-N 0 0 246.310 2.131 50 0 BEAARN COC[C@H](C)NC(=O)N1C[C@H](C)c2ccccc21 ZINC000079115522 487583100 /nfs/dbraw/zinc/58/31/00/487583100.db2.gz FPTWLSMDSHDHRM-QWRGUYRKSA-N 0 0 248.326 2.355 50 0 BEAARN CC(C)OCCS[C@H]1CCO[C@H]1C ZINC000163462870 167251084 /nfs/dbraw/zinc/25/10/84/167251084.db2.gz OWCVAVUYVZANER-UWVGGRQHSA-N 0 0 204.335 2.322 50 0 BEAARN CCc1ccc(CCC(=O)NCCCOC)cc1 ZINC000010327946 487588726 /nfs/dbraw/zinc/58/87/26/487588726.db2.gz COIBVNAULZZGMX-UHFFFAOYSA-N 0 0 249.354 2.334 50 0 BEAARN CC[C@H](C(N)=O)N1Cc2cccc(F)c2C1 ZINC000335171000 487603354 /nfs/dbraw/zinc/60/33/54/487603354.db2.gz YXBLLACTFYLUAN-LLVKDONJSA-N 0 0 222.263 2.455 50 0 BEAARN CC(C)c1nnc(CS[C@H](C)CCO)o1 ZINC000096430208 409984958 /nfs/dbraw/zinc/98/49/58/409984958.db2.gz HSUBCPGOMPEJDD-MRVPVSSYSA-N 0 0 230.333 2.197 50 0 BEAARN CC(C)c1nnc(CS[C@@H](C)CCO)o1 ZINC000096430207 409985227 /nfs/dbraw/zinc/98/52/27/409985227.db2.gz HSUBCPGOMPEJDD-QMMMGPOBSA-N 0 0 230.333 2.197 50 0 BEAARN Brc1cc2scnc2cn1 ZINC000089229112 166096354 /nfs/dbraw/zinc/09/63/54/166096354.db2.gz BNWBITZLSRCTRO-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Brc1ccc(-c2ncc[nH]2)nc1 ZINC000096663633 166098325 /nfs/dbraw/zinc/09/83/25/166098325.db2.gz OZKHSJCPLPWZKI-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1cnc2cccnc2c1 ZINC000039328239 166104716 /nfs/dbraw/zinc/10/47/16/166104716.db2.gz DQTDPFYKQAQVJU-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccnc(Br)n1 ZINC000012359418 166102845 /nfs/dbraw/zinc/10/28/45/166102845.db2.gz AOEHEEBFRCAFGC-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN Brc1cccnc1N1CCSC1 ZINC000169725467 166102992 /nfs/dbraw/zinc/10/29/92/166102992.db2.gz CRIIFDJBMFHDEV-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN Brc1cccnc1N1CCCC1 ZINC000038537651 166103402 /nfs/dbraw/zinc/10/34/02/166103402.db2.gz UKSFRLYYEAXUKE-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Brc1cncc(-c2cnco2)c1 ZINC000091690840 166104923 /nfs/dbraw/zinc/10/49/23/166104923.db2.gz BTGMFLJMMTYKKI-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1cnc2c(C3CC3)cnn2c1 ZINC000098213894 166105033 /nfs/dbraw/zinc/10/50/33/166105033.db2.gz VCZJOQWDESZTLX-UHFFFAOYSA-N 0 0 238.088 2.369 50 0 BEAARN CC(=O)c1c(F)cccc1NC[C@@H](O)C1CC1 ZINC000080678125 166433985 /nfs/dbraw/zinc/43/39/85/166433985.db2.gz LVKCHJMXYBOARY-GFCCVEGCSA-N 0 0 237.274 2.211 50 0 BEAARN CC(=O)c1cn(-c2ccccc2)nc1C ZINC000034108574 166485115 /nfs/dbraw/zinc/48/51/15/166485115.db2.gz DPLBGBYVVKEXDZ-UHFFFAOYSA-N 0 0 200.241 2.383 50 0 BEAARN CC(C)(C)OC(=O)Nc1cnccc1C=O ZINC000002583496 166669538 /nfs/dbraw/zinc/66/95/38/166669538.db2.gz YLKONQAWPOHLPX-UHFFFAOYSA-N 0 0 222.244 2.241 50 0 BEAARN CC(C)(C)OC(=O)[C@@H](O)c1ccccc1 ZINC000038529551 166672505 /nfs/dbraw/zinc/67/25/05/166672505.db2.gz HFQCAIQTDNARDZ-JTQLQIEISA-N 0 0 208.257 2.062 50 0 BEAARN CC(C)CCC(=O)NCC1(C)CCOCC1 ZINC000169750801 166791445 /nfs/dbraw/zinc/79/14/45/166791445.db2.gz NYXVAKOAMGBUDX-UHFFFAOYSA-N 0 0 227.348 2.356 50 0 BEAARN CC(C)C[NH2+][C@@H](CC(=O)[O-])c1ccccc1 ZINC000004686974 167012728 /nfs/dbraw/zinc/01/27/28/167012728.db2.gz WXNPMXXYUSMZAV-LBPRGKRZSA-N 0 0 221.300 2.448 50 0 BEAARN CC(C)NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000095452815 167069796 /nfs/dbraw/zinc/06/97/96/167069796.db2.gz KZAXCDPWVPKTLY-NSHDSACASA-N 0 0 236.319 2.055 50 0 BEAARN CC(C)NC(=O)NCCc1ccc(N(C)C)cc1 ZINC000038585531 167074313 /nfs/dbraw/zinc/07/43/13/167074313.db2.gz ANLMSOZKQMADJA-UHFFFAOYSA-N 0 0 249.358 2.003 50 0 BEAARN CC(C)NC(=O)NCCc1c[nH]c2ccccc12 ZINC000001645260 167074374 /nfs/dbraw/zinc/07/43/74/167074374.db2.gz BEKYAISYHQUMPB-UHFFFAOYSA-N 0 0 245.326 2.418 50 0 BEAARN CC(C)NC(=O)c1cc(-c2ccco2)on1 ZINC000002602345 167085381 /nfs/dbraw/zinc/08/53/81/167085381.db2.gz RAUJTOYKEOTPQC-UHFFFAOYSA-N 0 0 220.228 2.073 50 0 BEAARN CC(C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000040047110 167088713 /nfs/dbraw/zinc/08/87/13/167088713.db2.gz PEFFZSYMKYUILY-UHFFFAOYSA-N 0 0 232.205 2.239 50 0 BEAARN CC(C)NC(=O)c1cncn1-c1ccc(F)cc1 ZINC000012525747 167089490 /nfs/dbraw/zinc/08/94/90/167089490.db2.gz SYUAPFMVXXQANP-UHFFFAOYSA-N 0 0 247.273 2.150 50 0 BEAARN CC(C)NC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000049031393 167089567 /nfs/dbraw/zinc/08/95/67/167089567.db2.gz IICHQSXGHIJWGJ-UHFFFAOYSA-N 0 0 247.273 2.150 50 0 BEAARN CC(C)OC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000018142900 167172236 /nfs/dbraw/zinc/17/22/36/167172236.db2.gz PLLXXQKZCCYCPW-UHFFFAOYSA-N 0 0 231.251 2.093 50 0 biogenic BEAARN CC(C)OCC[C@@H](NN)c1ccccc1 ZINC000019168213 167251204 /nfs/dbraw/zinc/25/12/04/167251204.db2.gz LKRQHKOQFROOMM-GFCCVEGCSA-N 0 0 208.305 2.006 50 0 BEAARN CC(C)OCNC(=O)OCc1ccccc1 ZINC000040710690 167254603 /nfs/dbraw/zinc/25/46/03/167254603.db2.gz NJNHLPYLCKMUMH-UHFFFAOYSA-N 0 0 223.272 2.295 50 0 BEAARN CC(C)Oc1ncccc1[Si](C)(C)C ZINC000169794047 167315670 /nfs/dbraw/zinc/31/56/70/167315670.db2.gz NARJMUQSDREMTB-UHFFFAOYSA-N 0 0 209.365 2.414 50 0 BEAARN CC(C)Oc1ccc2c(cc[nH]c2=O)c1 ZINC000036244080 167302148 /nfs/dbraw/zinc/30/21/48/167302148.db2.gz NTGVEFBHUDBVEP-UHFFFAOYSA-N 0 0 203.241 2.315 50 0 BEAARN CC(C)[C@@H](C)C(=O)N(C)c1ccccn1 ZINC000172533311 167348845 /nfs/dbraw/zinc/34/88/45/167348845.db2.gz LVQYFPHMPASWFU-SNVBAGLBSA-N 0 0 206.289 2.337 50 0 BEAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000016275514 169794113 /nfs/dbraw/zinc/79/41/13/169794113.db2.gz NOUFHDXOMKKESA-UHFFFAOYSA-N 0 0 245.319 2.165 50 0 BEAARN CC(C)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1 ZINC000032720025 167585248 /nfs/dbraw/zinc/58/52/48/167585248.db2.gz AAPNMCRVFNQCKL-AWEZNQCLSA-N 0 0 247.338 2.407 50 0 BEAARN Cc1cc(NC(=O)N[C@H](C)c2cccnc2)no1 ZINC000044891803 411141738 /nfs/dbraw/zinc/14/17/38/411141738.db2.gz PXBUXLMGDQSSFH-SECBINFHSA-N 0 0 246.270 2.261 50 0 BEAARN CC(C)c1noc([C@@H](C)N2CCSCC2)n1 ZINC000047986444 411168567 /nfs/dbraw/zinc/16/85/67/411168567.db2.gz CKMWLWJGLZQPOZ-SECBINFHSA-N 0 0 241.360 2.303 50 0 BEAARN Cc1cc(C(=O)NC2=NCCS2)c(C)s1 ZINC000048430579 411198879 /nfs/dbraw/zinc/19/88/79/411198879.db2.gz ZRBFIRMCJIBMTK-UHFFFAOYSA-N 0 0 240.353 2.198 50 0 BEAARN CCc1nsc(N2CCC[C@@H]3C[C@@H]32)n1 ZINC000521394192 411245188 /nfs/dbraw/zinc/24/51/88/411245188.db2.gz WHUBWSQVFXDBJD-SFYZADRCSA-N 0 0 209.318 2.089 50 0 BEAARN CCCCNC(=O)N1CCn2cccc2[C@@H]1C ZINC000048644359 411208278 /nfs/dbraw/zinc/20/82/78/411208278.db2.gz JQEUQNNPFIPJJG-NSHDSACASA-N 0 0 235.331 2.374 50 0 BEAARN CC(C)(C)NC(=O)c1scnc1Cl ZINC000048890525 411219911 /nfs/dbraw/zinc/21/99/11/411219911.db2.gz WZCJMLAHLWYGEB-UHFFFAOYSA-N 0 0 218.709 2.325 50 0 BEAARN CC(C)n1nccc1NC(=O)c1ccccn1 ZINC000022288729 167798908 /nfs/dbraw/zinc/79/89/08/167798908.db2.gz NEJKPVYULZNSJF-UHFFFAOYSA-N 0 0 230.271 2.111 50 0 BEAARN Cc1n[nH]cc1NC(=O)Cc1ccc(C)cc1 ZINC000049476550 411235636 /nfs/dbraw/zinc/23/56/36/411235636.db2.gz CQXVMOQAAGAFST-UHFFFAOYSA-N 0 0 229.283 2.208 50 0 BEAARN CC(C)NC(=S)N[C@H](C)c1ccccn1 ZINC000047807691 411166242 /nfs/dbraw/zinc/16/62/42/411166242.db2.gz YKQWYTRRHZDUPU-SECBINFHSA-N 0 0 223.345 2.015 50 0 BEAARN Cc1nc2ccsc2c(-c2cnn(C)c2)n1 ZINC000426730424 411282282 /nfs/dbraw/zinc/28/22/82/411282282.db2.gz NPWSTPNSDFKCEH-UHFFFAOYSA-N 0 0 230.296 2.400 50 0 BEAARN c1c2n(nc1C1CC1)CCN([C@H]1CCSC1)C2 ZINC000575414143 411283502 /nfs/dbraw/zinc/28/35/02/411283502.db2.gz GXFHZQNPWNBCCR-NSHDSACASA-N 0 0 249.383 2.082 50 0 BEAARN Cc1nnc2c(NC(=O)C3CCCC3)cccn12 ZINC000065228150 411303510 /nfs/dbraw/zinc/30/35/10/411303510.db2.gz ICDOKIJBUQIXCA-UHFFFAOYSA-N 0 0 244.298 2.166 50 0 BEAARN CCOC(=O)c1nc(Cl)nc(Cl)c1F ZINC000218638945 411311133 /nfs/dbraw/zinc/31/11/33/411311133.db2.gz ODLKLHFBCYZMKF-UHFFFAOYSA-N 0 0 239.033 2.099 50 0 BEAARN CCc1ccc(NC(=O)CCC(=O)OC)cc1 ZINC000005318440 411259351 /nfs/dbraw/zinc/25/93/51/411259351.db2.gz UOVVSOBVECYELX-UHFFFAOYSA-N 0 0 235.283 2.141 50 0 BEAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(N)=O ZINC000027989627 167994707 /nfs/dbraw/zinc/99/47/07/167994707.db2.gz LGLPSKCJXYYLMZ-NJGYIYPDSA-N 0 0 208.088 2.063 50 0 BEAARN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1O ZINC000085508343 168002947 /nfs/dbraw/zinc/00/29/47/168002947.db2.gz BJKWKWODHKPZTO-NWDGAFQWSA-N 0 0 206.285 2.363 50 0 BEAARN CC1(CCc2nnc([C@H]3CCOC3)[nH]2)CC1 ZINC000097602158 168022934 /nfs/dbraw/zinc/02/29/34/168022934.db2.gz NHKVTJCHDQSJDD-VIFPVBQESA-N 0 0 221.304 2.041 50 0 BEAARN CC1(CNC(=O)c2ccsc2)CCOCC1 ZINC000257181784 168039651 /nfs/dbraw/zinc/03/96/51/168039651.db2.gz NYBGFUYMUHFIGV-UHFFFAOYSA-N 0 0 239.340 2.295 50 0 BEAARN CC(C)(C)OC(=O)NC1(C)CCC(=O)CC1 ZINC000090635965 168058634 /nfs/dbraw/zinc/05/86/34/168058634.db2.gz YIVQKLSACUDWHD-UHFFFAOYSA-N 0 0 227.304 2.413 50 0 BEAARN CC1=C(C)[C@@H](O)N(CCC2=CCCCC2)C1=O ZINC000009667611 168086377 /nfs/dbraw/zinc/08/63/77/168086377.db2.gz RHBNJMMVAUEMKR-CYBMUJFWSA-N 0 0 235.327 2.374 50 0 BEAARN CC1=CC(=O)N([C@@H](C)c2ccsc2)C1=O ZINC000061363989 168092255 /nfs/dbraw/zinc/09/22/55/168092255.db2.gz UNVZTFXPQAANNM-QMMMGPOBSA-N 0 0 221.281 2.124 50 0 BEAARN CC1=CC(=O)N([C@H](C)c2ccc(F)cc2)C1=O ZINC000042228103 168092429 /nfs/dbraw/zinc/09/24/29/168092429.db2.gz JBTQUJMUNGFURQ-SECBINFHSA-N 0 0 233.242 2.202 50 0 BEAARN CC1=CC(=O)N([C@@H](C)c2ccc(F)cc2)C1=O ZINC000042228099 168092559 /nfs/dbraw/zinc/09/25/59/168092559.db2.gz JBTQUJMUNGFURQ-VIFPVBQESA-N 0 0 233.242 2.202 50 0 BEAARN CC1=CN(O)[C@@H](c2ccc(O)cc2)N=N1 ZINC000085432594 168122222 /nfs/dbraw/zinc/12/22/22/168122222.db2.gz TWBYJKVZHPTLIL-JTQLQIEISA-N 0 0 205.217 2.409 50 0 BEAARN CC1CCC(N(C)C(=O)c2cnn(C)c2)CC1 ZINC000032845411 168157730 /nfs/dbraw/zinc/15/77/30/168157730.db2.gz OEFYISWUMGSSCT-UHFFFAOYSA-N 0 0 235.331 2.071 50 0 BEAARN C[C@@H](C(=O)N(C)C1CCC(C)CC1)n1cccn1 ZINC000040496979 168157772 /nfs/dbraw/zinc/15/77/72/168157772.db2.gz OXKWASQCJJSRRH-CPCZMJQVSA-N 0 0 249.358 2.481 50 0 BEAARN CC1CCC2(CC1)NC(=S)N(C(C)(C)C)N2 ZINC000013635800 168169667 /nfs/dbraw/zinc/16/96/67/168169667.db2.gz MHKQKTXCWUPKMU-UHFFFAOYSA-N 0 0 241.404 2.386 50 0 BEAARN CC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000044597634 168170629 /nfs/dbraw/zinc/17/06/29/168170629.db2.gz QTVXFOKMHRPFDL-UHFFFAOYSA-N 0 0 209.211 2.197 50 0 BEAARN CC1CCN(C(=O)c2ccc(N)cc2)CC1 ZINC000000873655 168176559 /nfs/dbraw/zinc/17/65/59/168176559.db2.gz SOVNVUQEIMQSDL-UHFFFAOYSA-N 0 0 218.300 2.141 50 0 BEAARN CCC(=O)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000032497754 168210944 /nfs/dbraw/zinc/21/09/44/168210944.db2.gz FKYQMTWBGVCZOY-UHFFFAOYSA-N 0 0 245.282 2.105 50 0 BEAARN CCC(=O)N1CCC(OCC(C)C)CC1 ZINC000055909784 168215024 /nfs/dbraw/zinc/21/50/24/168215024.db2.gz HJFUAJRXSXOCHG-UHFFFAOYSA-N 0 0 213.321 2.060 50 0 BEAARN CCC(=O)N1CCC(c2ccc(OC)cc2)=N1 ZINC000004672343 168215814 /nfs/dbraw/zinc/21/58/14/168215814.db2.gz XFBIQSWNRCJZLY-UHFFFAOYSA-N 0 0 232.283 2.042 50 0 BEAARN CCC(=O)N1CCCN(C)c2ccccc21 ZINC000078150546 168216663 /nfs/dbraw/zinc/21/66/63/168216663.db2.gz HCLMBVSTGIOQEP-UHFFFAOYSA-N 0 0 218.300 2.270 50 0 BEAARN CCC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000041421350 168227214 /nfs/dbraw/zinc/22/72/14/168227214.db2.gz JXAZHVIHWHSOHA-AAEUAGOBSA-N 0 0 233.311 2.385 50 0 BEAARN CCC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421354 168227247 /nfs/dbraw/zinc/22/72/47/168227247.db2.gz JXAZHVIHWHSOHA-WCQYABFASA-N 0 0 233.311 2.385 50 0 BEAARN CCC(=O)NCCCOc1ccccc1F ZINC000044889189 168227938 /nfs/dbraw/zinc/22/79/38/168227938.db2.gz KJEJLDRMQYHLDD-UHFFFAOYSA-N 0 0 225.263 2.121 50 0 BEAARN CCC(=O)NCc1nc2ccccc2s1 ZINC000013012707 168234669 /nfs/dbraw/zinc/23/46/69/168234669.db2.gz GXZOBBXXERNIBQ-UHFFFAOYSA-N 0 0 220.297 2.323 50 0 BEAARN CCC(=O)N[C@H]1CCOc2ccccc21 ZINC000023646785 168241550 /nfs/dbraw/zinc/24/15/50/168241550.db2.gz BHVNNHXVBVFBKC-JTQLQIEISA-N 0 0 205.257 2.036 50 0 BEAARN CCC(=O)Nc1cc(F)ccc1C(C)=O ZINC000097107052 168242539 /nfs/dbraw/zinc/24/25/39/168242539.db2.gz UPERREQEAGOSEV-UHFFFAOYSA-N 0 0 209.220 2.377 50 0 BEAARN CCC(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000009388939 168243556 /nfs/dbraw/zinc/24/35/56/168243556.db2.gz OAFNKCMPKURSAN-UHFFFAOYSA-N 0 0 236.271 2.002 50 0 BEAARN CCC(=O)Nc1cccnc1C(F)(F)F ZINC000289164405 168246929 /nfs/dbraw/zinc/24/69/29/168246929.db2.gz QHFBMYLNKXLVBU-UHFFFAOYSA-N 0 0 218.178 2.449 50 0 BEAARN CCC(=O)Oc1ccc(OC(=O)CC)cc1 ZINC000001685565 168250783 /nfs/dbraw/zinc/25/07/83/168250783.db2.gz HGXJNYNUTHMEOS-UHFFFAOYSA-N 0 0 222.240 2.317 50 0 BEAARN CCC(=O)[C@H](C)OC(=O)c1cccnc1Cl ZINC000060841454 168252134 /nfs/dbraw/zinc/25/21/34/168252134.db2.gz IMINQTHJEMBPAR-ZETCQYMHSA-N 0 0 241.674 2.259 50 0 BEAARN CCC(=O)c1cc(C(=O)CC)c(O)cc1O ZINC000000481586 168255103 /nfs/dbraw/zinc/25/51/03/168255103.db2.gz RHZHQHOXQLPEKM-UHFFFAOYSA-N 0 0 222.240 2.283 50 0 BEAARN CCC(C)(C)C(=O)Nc1nnc(COC)s1 ZINC000000792732 168270516 /nfs/dbraw/zinc/27/05/16/168270516.db2.gz CNCDBEGWHYUQJL-UHFFFAOYSA-N 0 0 243.332 2.059 50 0 BEAARN CCC(C)(C)NC(=O)Cc1c(C)noc1C ZINC000039976070 168291527 /nfs/dbraw/zinc/29/15/27/168291527.db2.gz JNXUBZHNEQHXHG-UHFFFAOYSA-N 0 0 224.304 2.139 50 0 BEAARN CCN(Cc1ccccc1)C(=O)CCC(C)=O ZINC000049822970 169913336 /nfs/dbraw/zinc/91/33/36/169913336.db2.gz ARIDPIZWZOSWHD-UHFFFAOYSA-N 0 0 233.311 2.404 50 0 BEAARN Cc1cnc(C)nc1NCC1(CO)CCCC1 ZINC000534660325 411493252 /nfs/dbraw/zinc/49/32/52/411493252.db2.gz VBKDDSXEEXGHTR-UHFFFAOYSA-N 0 0 235.331 2.058 50 0 BEAARN CC(C)(CC(F)F)C(=O)N1CCCCO1 ZINC000336277880 411493445 /nfs/dbraw/zinc/49/34/45/411493445.db2.gz JIKMXMFUEFETPU-UHFFFAOYSA-N 0 0 221.247 2.222 50 0 BEAARN CCNC(=O)/C=C/c1nc2ccccc2s1 ZINC000015501317 170042104 /nfs/dbraw/zinc/04/21/04/170042104.db2.gz YNDFJKAEWVUROA-BQYQJAHWSA-N 0 0 232.308 2.446 50 0 BEAARN CCNC(=O)/C=C(/C)c1ccc(F)cc1 ZINC000058292806 170042422 /nfs/dbraw/zinc/04/24/22/170042422.db2.gz YDUNYMLOTHBTKW-HJWRWDBZSA-N 0 0 207.248 2.365 50 0 BEAARN CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005672381 170043567 /nfs/dbraw/zinc/04/35/67/170043567.db2.gz KJRIPOASNOYTBI-UHFFFAOYSA-N 0 0 207.317 2.339 50 0 BEAARN CCNC(=O)CCc1ccc(CC)cc1 ZINC000010324824 170054144 /nfs/dbraw/zinc/05/41/44/170054144.db2.gz FJWKUUWDUHJAOD-UHFFFAOYSA-N 0 0 205.301 2.318 50 0 BEAARN CCNC(=O)CNc1ccc(Cl)cc1C ZINC000009315337 170066511 /nfs/dbraw/zinc/06/65/11/170066511.db2.gz XBCOJZWHLICNSO-UHFFFAOYSA-N 0 0 226.707 2.196 50 0 BEAARN CCNC(=O)CSCc1ccccc1 ZINC000000450227 170068212 /nfs/dbraw/zinc/06/82/12/170068212.db2.gz KZWZRCCMTTZFNF-UHFFFAOYSA-N 0 0 209.314 2.056 50 0 BEAARN CCNC(=O)Cc1coc2cc(C)ccc12 ZINC000009514875 170071334 /nfs/dbraw/zinc/07/13/34/170071334.db2.gz NRQACOPQBGOMPG-UHFFFAOYSA-N 0 0 217.268 2.420 50 0 BEAARN CCNC(=O)N(C)Cc1ccc(C)s1 ZINC000064554159 170071908 /nfs/dbraw/zinc/07/19/08/170071908.db2.gz CJXILNKWBBHKBV-UHFFFAOYSA-N 0 0 212.318 2.218 50 0 BEAARN CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000003897090 170078902 /nfs/dbraw/zinc/07/89/02/170078902.db2.gz TWVIOPSJBPELLI-UHFFFAOYSA-N 0 0 222.332 2.274 50 0 BEAARN CCNC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000080621562 170080279 /nfs/dbraw/zinc/08/02/79/170080279.db2.gz YXXNELIBSAUIHZ-SNVBAGLBSA-N 0 0 238.356 2.486 50 0 BEAARN CCNC(=O)NCCc1ccc(Cl)cc1 ZINC000009513454 170080403 /nfs/dbraw/zinc/08/04/03/170080403.db2.gz AXXHVEIAFOVQCW-UHFFFAOYSA-N 0 0 226.707 2.202 50 0 BEAARN CCNC(=O)NCc1ccc(Cl)cc1 ZINC000009366116 170081170 /nfs/dbraw/zinc/08/11/70/170081170.db2.gz NTTSTSMKVRXPLE-UHFFFAOYSA-N 0 0 212.680 2.159 50 0 BEAARN CCNC(=O)Nc1cccc(Cl)c1OC ZINC000000396937 170085526 /nfs/dbraw/zinc/08/55/26/170085526.db2.gz ULSCJBZFDYYCPH-UHFFFAOYSA-N 0 0 228.679 2.490 50 0 BEAARN CCNC(=O)c1ccc(Cl)cc1F ZINC000050825238 170101643 /nfs/dbraw/zinc/10/16/43/170101643.db2.gz QKAULPQQORVCNM-UHFFFAOYSA-N 0 0 201.628 2.229 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000012915946 170103246 /nfs/dbraw/zinc/10/32/46/170103246.db2.gz LRPSBFOHMFROHM-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN CCNC(=O)c1sccc1-n1cccc1 ZINC000005952605 170104971 /nfs/dbraw/zinc/10/49/71/170104971.db2.gz IRVILWZBEHFNML-UHFFFAOYSA-N 0 0 220.297 2.289 50 0 BEAARN CCNC(=S)Nc1cc(Cl)ccn1 ZINC000226792564 170105980 /nfs/dbraw/zinc/10/59/80/170105980.db2.gz XUFOUZGTCZYWTJ-UHFFFAOYSA-N 0 0 215.709 2.041 50 0 BEAARN CCNC(=S)Nc1ccc(OCC)cc1 ZINC000008830293 170106004 /nfs/dbraw/zinc/10/60/04/170106004.db2.gz IZIKORVGYQJQMK-UHFFFAOYSA-N 0 0 224.329 2.392 50 0 BEAARN CCNC(=S)Nc1ccc(O)c(Cl)c1 ZINC000016971303 170106137 /nfs/dbraw/zinc/10/61/37/170106137.db2.gz PBTONHXJZJYLPV-UHFFFAOYSA-N 0 0 230.720 2.352 50 0 BEAARN CCOC(=N)C[C@H](O)C(Cl)(Cl)Cl ZINC000101016132 170180189 /nfs/dbraw/zinc/18/01/89/170180189.db2.gz JLGVRDFXCYRNGZ-BYPYZUCNSA-N 0 0 234.510 2.121 50 0 BEAARN CCOC(=O)C=C(C)Nc1ccccc1O ZINC000104265483 170182417 /nfs/dbraw/zinc/18/24/17/170182417.db2.gz NGVUBGJAQSKJGQ-HJWRWDBZSA-N 0 0 221.256 2.271 50 0 BEAARN CCOC(=O)C=C(N)Nc1ccc(Cl)cc1 ZINC000100286266 170182810 /nfs/dbraw/zinc/18/28/10/170182810.db2.gz JZDYSHZCGOIOAE-JXMROGBWSA-N 0 0 240.690 2.115 50 0 BEAARN CCOC(=O)C(=O)c1cccc(C(F)(F)F)c1 ZINC000002387809 170184794 /nfs/dbraw/zinc/18/47/94/170184794.db2.gz OYMTUYSGHGBXRS-UHFFFAOYSA-N 0 0 246.184 2.451 50 0 BEAARN CCOC(=O)C(C)(C)NC(=O)c1ccc(C)cc1 ZINC000040545243 170187525 /nfs/dbraw/zinc/18/75/25/170187525.db2.gz RIKCIHZQUZBNAM-UHFFFAOYSA-N 0 0 249.310 2.067 50 0 BEAARN CCOC(=O)C(C)(C)Oc1ccccc1 ZINC000001420668 170188290 /nfs/dbraw/zinc/18/82/90/170188290.db2.gz WGIIOGRUHSJKMI-UHFFFAOYSA-N 0 0 208.257 2.407 50 0 BEAARN CCOC(=O)C(CCC(C)C)C(=O)OCC ZINC000001679973 170188334 /nfs/dbraw/zinc/18/83/34/170188334.db2.gz MPJCIHOJXMCSIM-UHFFFAOYSA-N 0 0 230.304 2.165 50 0 BEAARN CCOC(=O)C1(c2ccc(F)cc2)CC1 ZINC000065337433 170191569 /nfs/dbraw/zinc/19/15/69/170191569.db2.gz XSEBLFOXTYFEQC-UHFFFAOYSA-N 0 0 208.232 2.420 50 0 BEAARN CCOC(=O)C1=Cc2ccc(OC)cc2OC1 ZINC000002599385 170192266 /nfs/dbraw/zinc/19/22/66/170192266.db2.gz QSPBVDYSFQIUGM-UHFFFAOYSA-N 0 0 234.251 2.034 50 0 BEAARN CCOC(=O)CCc1ccc(F)c(F)c1 ZINC000034544000 170211762 /nfs/dbraw/zinc/21/17/62/170211762.db2.gz VZNNAPGMYXZLCH-UHFFFAOYSA-N 0 0 214.211 2.461 50 0 BEAARN CCOC(=O)Cc1cc(F)cc(F)c1C ZINC000261058350 170234967 /nfs/dbraw/zinc/23/49/67/170234967.db2.gz LPMOWHCABGOMTB-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1cc(F)c(C)c(F)c1 ZINC000260073537 170235025 /nfs/dbraw/zinc/23/50/25/170235025.db2.gz MZEFHSZRMNPDIH-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000034251280 170236708 /nfs/dbraw/zinc/23/67/08/170236708.db2.gz HJEFOTGDLMGZFW-UHFFFAOYSA-N 0 0 232.283 2.285 50 0 BEAARN CCOC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000038569721 170240173 /nfs/dbraw/zinc/24/01/73/170240173.db2.gz UAHRRCXTBVMZEY-GFCCVEGCSA-N 0 0 235.283 2.216 50 0 BEAARN CCOC(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000000433880 170244234 /nfs/dbraw/zinc/24/42/34/170244234.db2.gz ZWIABVGHCGFBOH-UHFFFAOYSA-N 0 0 228.273 2.223 50 0 BEAARN CCOC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000043638480 170247166 /nfs/dbraw/zinc/24/71/66/170247166.db2.gz UVUIFQSYHWKBHE-LLVKDONJSA-N 0 0 221.300 2.070 50 0 BEAARN CCOC(=O)[C@@H](C)P(=O)(OCC)OCC ZINC000001737213 170248597 /nfs/dbraw/zinc/24/85/97/170248597.db2.gz BVSRWCMAJISCTD-MRVPVSSYSA-N 0 0 238.220 2.204 50 0 BEAARN CCOC(=O)[C@@H](CC)[C@H](CC)C(=O)OCC ZINC000003074838 170250911 /nfs/dbraw/zinc/25/09/11/170250911.db2.gz PYQDOTSNFYFMQJ-UWVGGRQHSA-N 0 0 230.304 2.165 50 0 BEAARN CCOC(=O)[C@@H](CCc1ccccc1)C(C)=O ZINC000002045740 170251431 /nfs/dbraw/zinc/25/14/31/170251431.db2.gz GPRDAMCHHGGJNX-ZDUSSCGKSA-N 0 0 234.295 2.388 50 0 BEAARN CCOC(=O)[C@@H]1CCCO[C@H]1C(C)C ZINC000098095757 170258061 /nfs/dbraw/zinc/25/80/61/170258061.db2.gz WVYBVCQXRFKMOW-ZJUUUORDSA-N 0 0 200.278 2.001 50 0 BEAARN CCOC(=O)[C@H]1CCCCN1Cc1ccoc1 ZINC000055543137 170280268 /nfs/dbraw/zinc/28/02/68/170280268.db2.gz XJUJGTBKFHCQLX-GFCCVEGCSA-N 0 0 237.299 2.197 50 0 BEAARN CCOC(=O)[C@H]1CS[C@H](c2cccs2)N1 ZINC000098072871 170282241 /nfs/dbraw/zinc/28/22/41/170282241.db2.gz FPFZNKCTUSSDIU-VXNVDRBHSA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)[C@H]1ON=C(CC)[C@@H]1c1ccccc1 ZINC000071773933 170282908 /nfs/dbraw/zinc/28/29/08/170282908.db2.gz XVAJFVZQMHAHHL-STQMWFEESA-N 0 0 247.294 2.498 50 0 BEAARN CCOC(=O)c1c(C)oc2ccc(O)c(C=O)c21 ZINC000000308051 170288582 /nfs/dbraw/zinc/28/85/82/170288582.db2.gz OUXNDIQLXWIOGJ-UHFFFAOYSA-N 0 0 248.234 2.436 50 0 BEAARN CCOC(=O)c1c[nH]cc1C(F)(F)F ZINC000032911376 170289606 /nfs/dbraw/zinc/28/96/06/170289606.db2.gz OPRFQUCZHDBZHE-UHFFFAOYSA-N 0 0 207.151 2.210 50 0 BEAARN CCOC(=O)c1cc(-c2ccccc2)[nH]c1N ZINC000033426593 170290419 /nfs/dbraw/zinc/29/04/19/170290419.db2.gz LRPAKNYVOAOQGG-UHFFFAOYSA-N 0 0 230.267 2.441 50 0 BEAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000009361185 170290944 /nfs/dbraw/zinc/29/09/44/170290944.db2.gz SDGZPPOLTPVBLP-UHFFFAOYSA-N 0 0 246.266 2.262 50 0 BEAARN CCOC(=O)c1cc(C)nn1-c1ccc(F)cc1 ZINC000014985332 170291509 /nfs/dbraw/zinc/29/15/09/170291509.db2.gz GOZFWWAPHFHDFV-UHFFFAOYSA-N 0 0 248.257 2.497 50 0 BEAARN CCOC(=O)c1cc(F)c(C)c(F)c1 ZINC000263622880 170292540 /nfs/dbraw/zinc/29/25/40/170292540.db2.gz BQTYVGJKGMPCSY-UHFFFAOYSA-N 0 0 200.184 2.450 50 0 BEAARN CCOC(=O)c1cc2ccnc(Cl)c2[nH]1 ZINC000091682322 170294033 /nfs/dbraw/zinc/29/40/33/170294033.db2.gz BBYNLXLFZMEYIO-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1ccc(-n2sccc2=O)cc1 ZINC000006350513 170294422 /nfs/dbraw/zinc/29/44/22/170294422.db2.gz BZBRYBISKLKJCA-UHFFFAOYSA-N 0 0 249.291 2.076 50 0 BEAARN CCOC(=O)c1ccc(C)c(Br)n1 ZINC000095830287 170295160 /nfs/dbraw/zinc/29/51/60/170295160.db2.gz XDBUFRHHEUAYMY-UHFFFAOYSA-N 0 0 244.088 2.329 50 0 BEAARN CCOC(=O)c1ccc(C(=O)OCC)cc1 ZINC000001695304 170295605 /nfs/dbraw/zinc/29/56/05/170295605.db2.gz ONIHPYYWNBVMID-UHFFFAOYSA-N 0 0 222.240 2.040 50 0 BEAARN CCOC(=O)c1ccc(NC(=O)CC)cc1 ZINC000000142822 170295952 /nfs/dbraw/zinc/29/59/52/170295952.db2.gz QQYFGAPEJNGGGI-UHFFFAOYSA-N 0 0 221.256 2.212 50 0 BEAARN CCOC(=O)c1ccc(P(C)(C)=O)cc1 ZINC000000301434 170298139 /nfs/dbraw/zinc/29/81/39/170298139.db2.gz KMFBOTWKFDTLNI-UHFFFAOYSA-N 0 0 226.212 2.111 50 0 BEAARN CCOC(=O)c1cccc(Br)n1 ZINC000004255723 170298884 /nfs/dbraw/zinc/29/88/84/170298884.db2.gz OONBOXSIWCBAHZ-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1ccccc1NC(=O)OC ZINC000000476816 170299789 /nfs/dbraw/zinc/29/97/89/170299789.db2.gz WPAFTZYANFRJEX-UHFFFAOYSA-N 0 0 223.228 2.042 50 0 BEAARN CCOC(=O)c1cn(C)nc1-c1ccccc1 ZINC000034204231 170300515 /nfs/dbraw/zinc/30/05/15/170300515.db2.gz ZFNKDMFAIFMIHW-UHFFFAOYSA-N 0 0 230.267 2.264 50 0 BEAARN CCOC(=O)c1cnc(C(F)(F)F)s1 ZINC000030678566 170301392 /nfs/dbraw/zinc/30/13/92/170301392.db2.gz KQTWGECEHUVSPX-UHFFFAOYSA-N 0 0 225.191 2.339 50 0 BEAARN CCOC(=O)c1cnc2ccc(OC)cc2c1N ZINC000012422091 170302211 /nfs/dbraw/zinc/30/22/11/170302211.db2.gz KWSSHDCTTIZJJQ-UHFFFAOYSA-N 0 0 246.266 2.002 50 0 BEAARN CCOC(=O)c1cncn1-c1ccc(F)cc1 ZINC000097756640 170303853 /nfs/dbraw/zinc/30/38/53/170303853.db2.gz MERHTWHWSLCXOB-UHFFFAOYSA-N 0 0 234.230 2.188 50 0 BEAARN CCOC(=O)c1cnn(-c2ccccc2F)c1C ZINC000002532526 170303973 /nfs/dbraw/zinc/30/39/73/170303973.db2.gz VDCILVIEIZCRQD-UHFFFAOYSA-N 0 0 248.257 2.497 50 0 BEAARN CCOC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000026896650 170305860 /nfs/dbraw/zinc/30/58/60/170305860.db2.gz RYZAFUIELFHCSW-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1ncoc1CC(C)(C)C ZINC000043304319 170308770 /nfs/dbraw/zinc/30/87/70/170308770.db2.gz APMHAGIOEQOLKN-UHFFFAOYSA-N 0 0 211.261 2.440 50 0 BEAARN CCOC(=O)c1nnc(Cc2ccc(C)cc2)o1 ZINC000006822674 170309454 /nfs/dbraw/zinc/30/94/54/170309454.db2.gz KDQHFGMTCSHGBQ-UHFFFAOYSA-N 0 0 246.266 2.146 50 0 BEAARN CCOC(=O)n1c(=O)oc2cc(Cl)ccc21 ZINC000000050033 170310448 /nfs/dbraw/zinc/31/04/48/170310448.db2.gz DLVDJPBJEBSUPN-UHFFFAOYSA-N 0 0 241.630 2.253 50 0 BEAARN CCOC(=O)c1sc(=S)n(C)c1C ZINC000003042552 170310941 /nfs/dbraw/zinc/31/09/41/170310941.db2.gz CWOLSMXDNJBTGT-UHFFFAOYSA-N 0 0 217.315 2.301 50 0 BEAARN CCOC(=O)c1sc2nsc(C)c2c1N ZINC000000168508 170311075 /nfs/dbraw/zinc/31/10/75/170311075.db2.gz WRIWXKCVJAGUIR-UHFFFAOYSA-N 0 0 242.325 2.425 50 0 BEAARN CCOC(Cn1nc(C)c(C)c1C)OCC ZINC000066324245 170316044 /nfs/dbraw/zinc/31/60/44/170316044.db2.gz YBUAIBQVUDNKEF-UHFFFAOYSA-N 0 0 226.320 2.207 50 0 BEAARN CCOCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032819545 170340207 /nfs/dbraw/zinc/34/02/07/170340207.db2.gz FPCXYDXSFSIYAL-RYUDHWBXSA-N 0 0 225.332 2.204 50 0 BEAARN CCOCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000058164592 170348923 /nfs/dbraw/zinc/34/89/23/170348923.db2.gz SDAOSBAXWGKJEO-UHFFFAOYSA-N 0 0 245.225 2.263 50 0 BEAARN CCOCC(=O)Nc1cncc(Cl)c1Cl ZINC000097046995 170349591 /nfs/dbraw/zinc/34/95/91/170349591.db2.gz OGEOITGEEKYSEZ-UHFFFAOYSA-N 0 0 249.097 2.363 50 0 BEAARN CCOCC(=O)Nc1nc2ccccc2s1 ZINC000002065864 170349888 /nfs/dbraw/zinc/34/98/88/170349888.db2.gz STHIFAQXTIMLIN-UHFFFAOYSA-N 0 0 236.296 2.271 50 0 BEAARN CCOCCCNC(=O)c1ccccc1Cl ZINC000004438895 170379371 /nfs/dbraw/zinc/37/93/71/170379371.db2.gz JTLHZRQLCRDZDC-UHFFFAOYSA-N 0 0 241.718 2.496 50 0 BEAARN CCOCCCNC(=O)c1ccc(F)cc1F ZINC000028210724 170379575 /nfs/dbraw/zinc/37/95/75/170379575.db2.gz WAGHVNYSHKDDKB-UHFFFAOYSA-N 0 0 243.253 2.121 50 0 BEAARN CCOCCCNC(=S)Nc1ccccc1 ZINC000005332733 170380006 /nfs/dbraw/zinc/38/00/06/170380006.db2.gz SIHCTUVPVOJJHO-UHFFFAOYSA-N 0 0 238.356 2.400 50 0 BEAARN CCONC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000040476685 170462752 /nfs/dbraw/zinc/46/27/52/170462752.db2.gz MIIHDBBMMLRIDA-UHFFFAOYSA-N 0 0 247.216 2.316 50 0 BEAARN CCOP(=O)(OCC)[C@H](N)C(F)(F)F ZINC000020840880 170470666 /nfs/dbraw/zinc/47/06/66/170470666.db2.gz BPFUBLZRCYWAEB-YFKPBYRVSA-N 0 0 235.142 2.100 50 0 BEAARN CCO[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000126929005 170505197 /nfs/dbraw/zinc/50/51/97/170505197.db2.gz CSQDRZWNEDBLOQ-STQMWFEESA-N 0 0 237.343 2.370 50 0 BEAARN CCOc1cc(C)ccc1CNC(C)=O ZINC000089990937 170520659 /nfs/dbraw/zinc/52/06/59/170520659.db2.gz IMBCNCXMSVCGOW-UHFFFAOYSA-N 0 0 207.273 2.030 50 0 BEAARN CCOc1cc(C=O)cc(Cl)c1OC(C)=O ZINC000000107827 170521221 /nfs/dbraw/zinc/52/12/21/170521221.db2.gz JPTWDAWHCXCPHK-UHFFFAOYSA-N 0 0 242.658 2.477 50 0 BEAARN CCOc1cc(Cl)nc(SC)n1 ZINC000002567581 170522795 /nfs/dbraw/zinc/52/27/95/170522795.db2.gz UGHUXTAMHJKMPX-UHFFFAOYSA-N 0 0 204.682 2.251 50 0 BEAARN CCOc1ccc(-c2nnc(N)o2)cc1OCC ZINC000019390179 170533340 /nfs/dbraw/zinc/53/33/40/170533340.db2.gz HSKPVJKAUZYNGJ-UHFFFAOYSA-N 0 0 249.270 2.116 50 0 BEAARN CCOc1ccc(C(=O)COC(=O)CC)cc1 ZINC000000288951 170537031 /nfs/dbraw/zinc/53/70/31/170537031.db2.gz ZNENUYCVXAXBJC-UHFFFAOYSA-N 0 0 236.267 2.221 50 0 BEAARN CCOc1ccc(N2C(=O)CSC2=O)cc1 ZINC000001228334 170549535 /nfs/dbraw/zinc/54/95/35/170549535.db2.gz OJWNAUUUOQYEFP-UHFFFAOYSA-N 0 0 237.280 2.285 50 0 BEAARN CCOc1ccc(OCCOCCOC)cc1 ZINC000095982959 170555979 /nfs/dbraw/zinc/55/59/79/170555979.db2.gz PGVRWLQGKJNSBG-UHFFFAOYSA-N 0 0 240.299 2.127 50 0 BEAARN CCOc1ccccc1C(=O)Nc1cn[nH]c1 ZINC000035237574 170590671 /nfs/dbraw/zinc/59/06/71/170590671.db2.gz AWYDSVFSYBUIGM-UHFFFAOYSA-N 0 0 231.255 2.061 50 0 BEAARN CCOc1ncccc1-c1cc(C)c(C)[nH]c1=O ZINC000096166600 170603741 /nfs/dbraw/zinc/60/37/41/170603741.db2.gz YVTAHVQTZAXXOI-UHFFFAOYSA-N 0 0 244.294 2.452 50 0 BEAARN CCOc1ncc(Br)c(C)c1N ZINC000095494840 170603816 /nfs/dbraw/zinc/60/38/16/170603816.db2.gz MPBGYUKHJJTYNX-UHFFFAOYSA-N 0 0 231.093 2.133 50 0 BEAARN CCOc1ncccc1-c1nc(C)cc(NC)n1 ZINC000067755527 170603881 /nfs/dbraw/zinc/60/38/81/170603881.db2.gz HJIZXPYIVLHBLT-UHFFFAOYSA-N 0 0 244.298 2.287 50 0 BEAARN CCOc1ncccc1NC(=O)N(C)C1CC1 ZINC000063813110 170604556 /nfs/dbraw/zinc/60/45/56/170604556.db2.gz FWPREVUYFDCDGN-UHFFFAOYSA-N 0 0 235.287 2.106 50 0 BEAARN CCS(=O)(=O)N1CCC[C@@H]1c1cccs1 ZINC000015836230 170614404 /nfs/dbraw/zinc/61/44/04/170614404.db2.gz ZJPZFLIKYVZNOF-SECBINFHSA-N 0 0 245.369 2.235 50 0 BEAARN CCS(=O)(=O)Nc1cccc(C)c1C ZINC000000482784 170620972 /nfs/dbraw/zinc/62/09/72/170620972.db2.gz FVALCBJDWZQDEP-UHFFFAOYSA-N 0 0 213.302 2.065 50 0 BEAARN CCSCCOc1cc(C(N)=O)ccc1C ZINC000097046844 170639906 /nfs/dbraw/zinc/63/99/06/170639906.db2.gz NJNOAFGFOJBJJU-UHFFFAOYSA-N 0 0 239.340 2.226 50 0 BEAARN CC[C@@H](C)NC(=O)NCc1csc(C)n1 ZINC000042843201 170743081 /nfs/dbraw/zinc/74/30/81/170743081.db2.gz VARGRCPUXAUTQZ-SSDOTTSWSA-N 0 0 227.333 2.049 50 0 BEAARN CC[C@@H](C)NC(=O)NCc1ccc(F)cc1 ZINC000000137460 170743302 /nfs/dbraw/zinc/74/33/02/170743302.db2.gz YFITXJHPFXVUIO-SECBINFHSA-N 0 0 224.279 2.423 50 0 BEAARN CC[C@@H](C)NC(=O)Nc1cccnc1OC ZINC000048290668 170743960 /nfs/dbraw/zinc/74/39/60/170743960.db2.gz ANGMRNWYYUAEDL-MRVPVSSYSA-N 0 0 223.276 2.010 50 0 BEAARN CC[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000000218090 170747259 /nfs/dbraw/zinc/74/72/59/170747259.db2.gz KZLUGLBSRLDCHB-KOLCDFICSA-N 0 0 246.310 2.027 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1 ZINC000007307817 170755424 /nfs/dbraw/zinc/75/54/24/170755424.db2.gz LKASJCNNFUKDLF-MRVPVSSYSA-N 0 0 247.747 2.417 50 0 BEAARN CC[C@@H](C)Nc1c(=O)c(=O)c1-c1ccc(C)cc1 ZINC000006749067 170758997 /nfs/dbraw/zinc/75/89/97/170758997.db2.gz OBHLOOKIVWMVSK-SNVBAGLBSA-N 0 0 243.306 2.468 50 0 BEAARN CC[C@@H](C)[C@H](C)N(C(=O)c1cncn1C)C1CC1 ZINC000252492018 170788864 /nfs/dbraw/zinc/78/88/64/170788864.db2.gz MBALKFAENGLMRX-MNOVXSKESA-N 0 0 249.358 2.459 50 0 BEAARN CC[C@@H]1CCN(C(=O)Nc2ccncc2F)C1 ZINC000095940269 171004034 /nfs/dbraw/zinc/00/40/34/171004034.db2.gz VDYSSZPDPSGXAZ-SECBINFHSA-N 0 0 237.278 2.485 50 0 BEAARN CC[C@@](C)(NC=O)C(=O)Nc1c(C)cccc1C ZINC000000493785 171174372 /nfs/dbraw/zinc/17/43/72/171174372.db2.gz SJUBAGMYKASKEM-CQSZACIVSA-N 0 0 248.326 2.157 50 0 BEAARN CC[C@](O)(c1ncc[nH]1)c1ccccc1 ZINC000328579697 171194154 /nfs/dbraw/zinc/19/41/54/171194154.db2.gz WZSHBXMXHOWDTP-GFCCVEGCSA-N 0 0 202.257 2.056 50 0 BEAARN CC[C@@]12OCCN1C[C@@H](c1ccccc1)O2 ZINC000019864915 171218114 /nfs/dbraw/zinc/21/81/14/171218114.db2.gz JOPJKJFVMPDVNI-STQMWFEESA-N 0 0 219.284 2.154 50 0 BEAARN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000191438917 171237836 /nfs/dbraw/zinc/23/78/36/171237836.db2.gz WRPVWLVVAPYMEE-QWHCGFSZSA-N 0 0 248.326 2.036 50 0 BEAARN CC[C@H](C)C(=O)NCCc1sc(C)nc1C ZINC000078571256 171250938 /nfs/dbraw/zinc/25/09/38/171250938.db2.gz QFVLBEJMKVDEGF-QMMMGPOBSA-N 0 0 240.372 2.465 50 0 BEAARN CC[C@H](C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000036730046 171251077 /nfs/dbraw/zinc/25/10/77/171251077.db2.gz FCLBELVJVJPIBP-JTQLQIEISA-N 0 0 249.310 2.120 50 0 BEAARN CC[C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000028509952 171255316 /nfs/dbraw/zinc/25/53/16/171255316.db2.gz YMPSVVYMUYXEOH-JTQLQIEISA-N 0 0 248.326 2.373 50 0 BEAARN CC[C@H](C)CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000189575218 171261626 /nfs/dbraw/zinc/26/16/26/171261626.db2.gz QFZUDISSBNLTMN-ZBINZKHDSA-N 0 0 247.338 2.197 50 0 BEAARN CC[C@@H](C)N(C(=O)c1ccnn1C)[C@@H](C)CC ZINC000016972119 171300732 /nfs/dbraw/zinc/30/07/32/171300732.db2.gz YLOKKMBWEWNVMM-PHIMTYICSA-N 0 0 237.347 2.459 50 0 BEAARN CC[C@H](C)N(C)C(=O)c1ccc(C(=O)OC)cc1 ZINC000095948672 171303483 /nfs/dbraw/zinc/30/34/83/171303483.db2.gz RJHBQSKWHUVYEB-JTQLQIEISA-N 0 0 249.310 2.344 50 0 BEAARN CC[C@H](C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000003187345 171321594 /nfs/dbraw/zinc/32/15/94/171321594.db2.gz MZTIDXRCGRYYCF-WSMDXJOWSA-N 0 0 237.343 2.297 50 0 BEAARN CC[C@H](C)NC(=O)CNc1cccc(C(C)=O)c1 ZINC000025600659 171326238 /nfs/dbraw/zinc/32/62/38/171326238.db2.gz OIGPIPOPHULPAW-JTQLQIEISA-N 0 0 248.326 2.216 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc2nc(N)sc2c1 ZINC000000241737 171336933 /nfs/dbraw/zinc/33/69/33/171336933.db2.gz XJTPKTRRDCCDIU-ZETCQYMHSA-N 0 0 249.339 2.407 50 0 BEAARN CC[C@H](C)OC(=O)CCC(=O)O[C@@H](C)CC ZINC000005925020 171351437 /nfs/dbraw/zinc/35/14/37/171351437.db2.gz PJZURRKQOJYGAU-UWVGGRQHSA-N 0 0 230.304 2.450 50 0 BEAARN CC[C@H](C)OCC(=O)N1CCSCC[C@H]1C ZINC000170090497 171352059 /nfs/dbraw/zinc/35/20/59/171352059.db2.gz AAHKQOLETJPKNM-MNOVXSKESA-N 0 0 245.388 2.156 50 0 BEAARN CC[C@H](C)OCC(=O)Nc1ncccc1Cl ZINC000095994015 171355687 /nfs/dbraw/zinc/35/56/87/171355687.db2.gz MRJUICMVEZUXSQ-QMMMGPOBSA-N 0 0 242.706 2.489 50 0 BEAARN CC[C@H](C)[C@H](C)N(C(=O)c1cncn1C)C1CC1 ZINC000252492019 171386334 /nfs/dbraw/zinc/38/63/34/171386334.db2.gz MBALKFAENGLMRX-QWRGUYRKSA-N 0 0 249.358 2.459 50 0 BEAARN CC[C@H](NCc1nc(C)no1)c1nccs1 ZINC000097110745 171533107 /nfs/dbraw/zinc/53/31/07/171533107.db2.gz VLWYVVYUDODATH-QMMMGPOBSA-N 0 0 238.316 2.075 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1cc(C)on1 ZINC000013363648 171605754 /nfs/dbraw/zinc/60/57/54/171605754.db2.gz RUBVLFPKBFRZLA-JTQLQIEISA-N 0 0 222.288 2.388 50 0 BEAARN CCc1cc(C(=O)NC[C@@H]2CCCO2)cs1 ZINC000013331208 171753358 /nfs/dbraw/zinc/75/33/58/171753358.db2.gz UCDUQZAIROGGFZ-JTQLQIEISA-N 0 0 239.340 2.219 50 0 BEAARN CCc1ccc(C(=O)NC2=NCCS2)s1 ZINC000016603537 171785117 /nfs/dbraw/zinc/78/51/17/171785117.db2.gz KFAQGZVPKOEQRB-UHFFFAOYSA-N 0 0 240.353 2.143 50 0 BEAARN CCc1ccc(C(=S)N2CCOCC2)cc1 ZINC000000617671 171788101 /nfs/dbraw/zinc/78/81/01/171788101.db2.gz NAUCXZOFRHELBZ-UHFFFAOYSA-N 0 0 235.352 2.257 50 0 BEAARN CCc1cnccc1C(=O)OC[C@H]1CC[C@H](C)O1 ZINC000097113101 171924143 /nfs/dbraw/zinc/92/41/43/171924143.db2.gz PKZUPZILJHEZQJ-CMPLNLGQSA-N 0 0 249.310 2.368 50 0 BEAARN CCc1nc([C@H](C)NC(=O)C2CC2)cs1 ZINC000083830248 172006466 /nfs/dbraw/zinc/00/64/66/172006466.db2.gz SWOVKRXMAWXGQD-ZETCQYMHSA-N 0 0 224.329 2.293 50 0 BEAARN CCc1ncc(C(=O)c2ccc(OC)cc2)n1C ZINC000000292966 172015783 /nfs/dbraw/zinc/01/57/83/172015783.db2.gz JNMABFXPYWLOLY-UHFFFAOYSA-N 0 0 244.294 2.222 50 0 BEAARN CCc1ncc([C@H](O)c2ccccc2OC)n1C ZINC000000237791 172023447 /nfs/dbraw/zinc/02/34/47/172023447.db2.gz ZTAYCNWHQGGYQX-CQSZACIVSA-N 0 0 246.310 2.073 50 0 BEAARN CCc1ncn(CCOc2ccccc2C)n1 ZINC000328593780 172029710 /nfs/dbraw/zinc/02/97/10/172029710.db2.gz IPRYOYLBJBKHAR-UHFFFAOYSA-N 0 0 231.299 2.228 50 0 BEAARN CCc1nnc2ccc(NCCC(C)C)nn21 ZINC000032091890 172067536 /nfs/dbraw/zinc/06/75/36/172067536.db2.gz WZQNWTDURQZNMY-UHFFFAOYSA-N 0 0 233.319 2.145 50 0 BEAARN CCc1nnc2sc(-c3ccccc3)nn12 ZINC000005912029 172068365 /nfs/dbraw/zinc/06/83/65/172068365.db2.gz GERFDTDTIPXKKN-UHFFFAOYSA-N 0 0 230.296 2.415 50 0 BEAARN CCc1nnsc1C(=O)Nc1ccc(C)cn1 ZINC000012748567 172071630 /nfs/dbraw/zinc/07/16/30/172071630.db2.gz AQJOECLZVMKPAY-UHFFFAOYSA-N 0 0 248.311 2.056 50 0 BEAARN CCc1noc(C)c1Cn1ccc(C)n1 ZINC000097021485 172082577 /nfs/dbraw/zinc/08/25/77/172082577.db2.gz ONVCGJKKLHRQQB-UHFFFAOYSA-N 0 0 205.261 2.099 50 0 BEAARN CCc1noc(CN2CCC[C@H](CC)C2)n1 ZINC000065554812 172084432 /nfs/dbraw/zinc/08/44/32/172084432.db2.gz FPYSSIKYDCAYLY-JTQLQIEISA-N 0 0 223.320 2.254 50 0 BEAARN CCc1noc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000040489573 172085488 /nfs/dbraw/zinc/08/54/88/172085488.db2.gz BVDLLUDDKZKNFM-NXEZZACHSA-N 0 0 223.320 2.110 50 0 BEAARN CCc1noc([C@H](C)N2CCC(C)CC2)n1 ZINC000042651751 172090457 /nfs/dbraw/zinc/09/04/57/172090457.db2.gz VBKDFMFGPDXFJH-JTQLQIEISA-N 0 0 223.320 2.425 50 0 BEAARN CCc1nsc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000089295502 172105064 /nfs/dbraw/zinc/10/50/64/172105064.db2.gz LNPGXBACHGIEHL-DTORHVGOSA-N 0 0 223.345 2.337 50 0 BEAARN CCc1nsc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000089295505 172105630 /nfs/dbraw/zinc/10/56/30/172105630.db2.gz LNPGXBACHGIEHL-RKDXNWHRSA-N 0 0 223.345 2.337 50 0 BEAARN CCc1nsc(N[C@@H]2CCCC[C@H]2OC)n1 ZINC000301581555 172106961 /nfs/dbraw/zinc/10/69/61/172106961.db2.gz UUWZCHSUSQPGBM-RKDXNWHRSA-N 0 0 241.360 2.470 50 0 BEAARN CCn1cc(-c2nc(-c3ccccn3)no2)cn1 ZINC000020775235 172148911 /nfs/dbraw/zinc/14/89/11/172148911.db2.gz FPZRMKBNJQPKEH-UHFFFAOYSA-N 0 0 241.254 2.015 50 0 BEAARN CCn1cc(-c2nncn2-c2ccccc2)cn1 ZINC000067714034 172150172 /nfs/dbraw/zinc/15/01/72/172150172.db2.gz RJBRZXNVILMJFW-UHFFFAOYSA-N 0 0 239.282 2.151 50 0 BEAARN CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000028575763 172153033 /nfs/dbraw/zinc/15/30/33/172153033.db2.gz CULIBIWFRVFQBQ-QWRGUYRKSA-N 0 0 235.331 2.021 50 0 BEAARN CCn1cc(C2=NCCO2)c2ccccc21 ZINC000003029753 172158659 /nfs/dbraw/zinc/15/86/59/172158659.db2.gz GAQNHBNJZBUZOL-UHFFFAOYSA-N 0 0 214.268 2.438 50 0 BEAARN CCn1cc(NC(=O)Cc2ccccc2C)cn1 ZINC000058326966 172179649 /nfs/dbraw/zinc/17/96/49/172179649.db2.gz QBJQXJALYZVACH-UHFFFAOYSA-N 0 0 243.310 2.393 50 0 BEAARN CCn1cc(NC(=O)OCC(F)(F)F)cn1 ZINC000035781984 172181563 /nfs/dbraw/zinc/18/15/63/172181563.db2.gz DOMQBKMQXJNWPE-UHFFFAOYSA-N 0 0 237.181 2.014 50 0 BEAARN CCn1cc(OC(=O)c2occc2C)cn1 ZINC000192002311 172189379 /nfs/dbraw/zinc/18/93/79/172189379.db2.gz JIHNMLYCEVVNLP-UHFFFAOYSA-N 0 0 220.228 2.024 50 0 BEAARN CCn1cnc2sc(C)c(C)c2c1=O ZINC000000306907 172234124 /nfs/dbraw/zinc/23/41/24/172234124.db2.gz KJPWMEUDDWSCTN-UHFFFAOYSA-N 0 0 208.286 2.095 50 0 BEAARN CCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000005396468 172239609 /nfs/dbraw/zinc/23/96/09/172239609.db2.gz AMTRMCXYANZOME-UHFFFAOYSA-N 0 0 214.268 2.239 50 0 BEAARN CCn1nc(C(=O)Nc2ccccc2)cc1C ZINC000013703712 172241131 /nfs/dbraw/zinc/24/11/31/172241131.db2.gz GYOJAUPBIHPKFM-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CCn1nc(-c2ccccc2)cc1C(=O)OC ZINC000044672042 172241430 /nfs/dbraw/zinc/24/14/30/172241430.db2.gz PZMPTKYLACTNKL-UHFFFAOYSA-N 0 0 230.267 2.357 50 0 BEAARN CCn1nc(C)c2nc(C(C)C)nc(N(C)C)c21 ZINC000072238324 172249395 /nfs/dbraw/zinc/24/93/95/172249395.db2.gz ABPKKDFRBREHLH-UHFFFAOYSA-N 0 0 247.346 2.344 50 0 BEAARN CCn1ncc(C(=O)NCc2ccccc2)c1C ZINC000028576596 172253155 /nfs/dbraw/zinc/25/31/55/172253155.db2.gz PVMKKBMUXOSMDN-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1nccc1/C=C(\C)c1cnccn1 ZINC000187650259 172256501 /nfs/dbraw/zinc/25/65/01/172256501.db2.gz NZTSQHLYZJTMKJ-CSKARUKUSA-N 0 0 214.272 2.254 50 0 BEAARN CCn1nccc1CN(C)C(=O)c1cccs1 ZINC000028219041 172262927 /nfs/dbraw/zinc/26/29/27/172262927.db2.gz RUHVRHLFDDQPIU-UHFFFAOYSA-N 0 0 249.339 2.237 50 0 BEAARN CN(C#N)c1nccc(-c2cccs2)n1 ZINC000001390718 172292717 /nfs/dbraw/zinc/29/27/17/172292717.db2.gz PYQVDTVMCOHWDL-UHFFFAOYSA-N 0 0 216.269 2.122 50 0 BEAARN CN(C(=O)Cc1ccc(F)cc1)c1ccccn1 ZINC000009644362 172315256 /nfs/dbraw/zinc/31/52/56/172315256.db2.gz UOGQZIWNEDVFJB-UHFFFAOYSA-N 0 0 244.269 2.426 50 0 BEAARN CN(C(=O)Nc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000072119363 172323809 /nfs/dbraw/zinc/32/38/09/172323809.db2.gz NWWCKEPASDZLGD-QWHCGFSZSA-N 0 0 248.326 2.454 50 0 BEAARN CN(C(=O)[C@@H]1CC1(F)F)c1ccccc1 ZINC000294225009 172326807 /nfs/dbraw/zinc/32/68/07/172326807.db2.gz KZOXYZHCNMFPLQ-VIFPVBQESA-N 0 0 211.211 2.305 50 0 BEAARN CN(C(=O)c1cccnc1)C1CCCC1 ZINC000040477549 172343330 /nfs/dbraw/zinc/34/33/30/172343330.db2.gz CEFWYCZAJXFAOW-UHFFFAOYSA-N 0 0 204.273 2.096 50 0 BEAARN CN(C)C(=O)CCOc1cccc(Cl)c1 ZINC000042751995 172361164 /nfs/dbraw/zinc/36/11/64/172361164.db2.gz GGUXCWYYWWNKDN-UHFFFAOYSA-N 0 0 227.691 2.197 50 0 BEAARN CN(C)C(=O)COc1cccc(Cl)c1Cl ZINC000008920990 172373192 /nfs/dbraw/zinc/37/31/92/172373192.db2.gz VGQCHBGWCIWKRL-UHFFFAOYSA-N 0 0 248.109 2.460 50 0 BEAARN CN(C)C(=O)Cc1ccccc1Br ZINC000038537526 172375353 /nfs/dbraw/zinc/37/53/53/172375353.db2.gz BYABPBCYOWJRGQ-UHFFFAOYSA-N 0 0 242.116 2.080 50 0 BEAARN CN(C)C(=O)Nc1ccc(F)cc1F ZINC000002876427 172382719 /nfs/dbraw/zinc/38/27/19/172382719.db2.gz AZPHOESBVUWFJB-UHFFFAOYSA-N 0 0 200.188 2.058 50 0 BEAARN CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044976604 172385622 /nfs/dbraw/zinc/38/56/22/172385622.db2.gz MVRNCZJEDAJLJR-SFYZADRCSA-N 0 0 223.238 2.443 50 0 BEAARN CN(C)C(=O)c1cc2cc3c(cc2s1)OCO3 ZINC000000339106 172388928 /nfs/dbraw/zinc/38/89/28/172388928.db2.gz QWGDSTPRRRECSW-UHFFFAOYSA-N 0 0 249.291 2.332 50 0 BEAARN CN(C)C(=O)c1ccc(Br)cc1 ZINC000000270610 172388948 /nfs/dbraw/zinc/38/89/48/172388948.db2.gz BRRVYBRXLUEEJP-UHFFFAOYSA-N 0 0 228.089 2.151 50 0 BEAARN CN(C)C(=O)c1cc(F)cc(Br)c1 ZINC000046787760 172389096 /nfs/dbraw/zinc/38/90/96/172389096.db2.gz LFOCQCFERXNWNR-UHFFFAOYSA-N 0 0 246.079 2.290 50 0 BEAARN CN(C)C(OC(C)(C)C)OC(C)(C)C ZINC000025720660 172398507 /nfs/dbraw/zinc/39/85/07/172398507.db2.gz DBNQIOANXZVWIP-UHFFFAOYSA-N 0 0 203.326 2.462 50 0 BEAARN CN(C)c1ccc(NC(=O)[C@H]2CC=CCC2)cn1 ZINC000022395975 172556482 /nfs/dbraw/zinc/55/64/82/172556482.db2.gz IOBTVFDHQHKGJF-NSHDSACASA-N 0 0 245.326 2.442 50 0 BEAARN CN(C)c1nc(C=O)c(Cl)n1-c1ccccc1 ZINC000012505209 172576567 /nfs/dbraw/zinc/57/65/67/172576567.db2.gz PEQNFSIRQFPUCX-UHFFFAOYSA-N 0 0 249.701 2.404 50 0 BEAARN CN(CCOc1ccccc1)C(=O)C1CC=CC1 ZINC000077733662 172772627 /nfs/dbraw/zinc/77/26/27/172772627.db2.gz PXBCKAANZSHKTA-UHFFFAOYSA-N 0 0 245.322 2.490 50 0 BEAARN CN(C[C@@H]1CCCO1)C(=O)NC1CCCCC1 ZINC000065517269 172810878 /nfs/dbraw/zinc/81/08/78/172810878.db2.gz LZLGLTMEIOAXQA-LBPRGKRZSA-N 0 0 240.347 2.140 50 0 BEAARN CN1C(=O)c2ccccc2N[C@@H]1c1ccccn1 ZINC000015249048 172973045 /nfs/dbraw/zinc/97/30/45/172973045.db2.gz SYZNNAFQJRSWQV-ZDUSSCGKSA-N 0 0 239.278 2.278 50 0 BEAARN CN1CCC[C@@]12NCCc1c3ccccc3[nH]c12 ZINC000019324379 173038575 /nfs/dbraw/zinc/03/85/75/173038575.db2.gz FOMGWKRLXRPOLU-OAHLLOKOSA-N 0 0 241.338 2.192 50 0 BEAARN CN1O[C@H]2CCCC(=O)[C@@H]2[C@H]1c1ccccc1 ZINC000005352972 173205112 /nfs/dbraw/zinc/20/51/12/173205112.db2.gz FFOMFRWPMNYVMA-MELADBBJSA-N 0 0 231.295 2.343 50 0 BEAARN CNC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000069452422 173211354 /nfs/dbraw/zinc/21/13/54/173211354.db2.gz BOTHIUZXNHVIOG-ROOOYKNVSA-N 0 0 205.257 2.162 50 0 BEAARN CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000076562226 173220962 /nfs/dbraw/zinc/22/09/62/173220962.db2.gz QAKBCNOIBUFDLI-UHFFFAOYSA-N 0 0 211.692 2.364 50 0 BEAARN CNC(=O)CSCc1ccc(F)c(Cl)c1 ZINC000195576831 173279970 /nfs/dbraw/zinc/27/99/70/173279970.db2.gz XUHDFTIJCKHGAS-UHFFFAOYSA-N 0 0 247.722 2.458 50 0 BEAARN CNC(=O)CS[C@H](C)c1ccccc1F ZINC000059831702 173280000 /nfs/dbraw/zinc/28/00/00/173280000.db2.gz UMZMOJQNAKSEOX-MRVPVSSYSA-N 0 0 227.304 2.366 50 0 BEAARN CNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000041212036 173281672 /nfs/dbraw/zinc/28/16/72/173281672.db2.gz SCVPVDOBZDUAPT-NSHDSACASA-N 0 0 203.285 2.243 50 0 BEAARN CNC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000046905955 173284762 /nfs/dbraw/zinc/28/47/62/173284762.db2.gz MHSXNOGHFSXWDH-LBPRGKRZSA-N 0 0 233.315 2.338 50 0 BEAARN CNC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000046905954 173284796 /nfs/dbraw/zinc/28/47/96/173284796.db2.gz MHSXNOGHFSXWDH-GFCCVEGCSA-N 0 0 233.315 2.338 50 0 BEAARN CNC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000044970596 173285201 /nfs/dbraw/zinc/28/52/01/173285201.db2.gz SROYXQDXWAVYDT-SECBINFHSA-N 0 0 210.302 2.224 50 0 BEAARN CNC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280479604 173291972 /nfs/dbraw/zinc/29/19/72/173291972.db2.gz AEUGVIVDQALCBJ-KYZUINATSA-N 0 0 222.263 2.001 50 0 BEAARN CNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020110824 173296181 /nfs/dbraw/zinc/29/61/81/173296181.db2.gz CZAMVSXQQJOJNI-SNVBAGLBSA-N 0 0 221.300 2.323 50 0 BEAARN CNC(=O)c1c(C)onc1-c1cccc(F)c1 ZINC000064551953 173309147 /nfs/dbraw/zinc/30/91/47/173309147.db2.gz NHOOFMGNPHRLDC-UHFFFAOYSA-N 0 0 234.230 2.149 50 0 BEAARN CNC(=O)c1cc(-c2ccccc2)n(C)c1C ZINC000064551457 173309352 /nfs/dbraw/zinc/30/93/52/173309352.db2.gz QZWNPMPCPBIWFT-UHFFFAOYSA-N 0 0 228.295 2.360 50 0 BEAARN CNC(=O)c1cccc(NC(=O)C=C(C)C)c1C ZINC000040516498 173311645 /nfs/dbraw/zinc/31/16/45/173311645.db2.gz IUGDAZMIPPIVFR-UHFFFAOYSA-N 0 0 246.310 2.259 50 0 BEAARN CNC(=O)c1csc(-c2cccs2)n1 ZINC000001385569 173314305 /nfs/dbraw/zinc/31/43/05/173314305.db2.gz VFANSSLFXLATKG-UHFFFAOYSA-N 0 0 224.310 2.231 50 0 BEAARN CNC(=O)c1oc2cc(OC)ccc2c1C ZINC000044450313 173315184 /nfs/dbraw/zinc/31/51/84/173315184.db2.gz QMSCZDXSXWMQIO-UHFFFAOYSA-N 0 0 219.240 2.109 50 0 BEAARN CNC(=S)NCC12CC3CC(CC(C3)C1)C2 ZINC000004838085 173316191 /nfs/dbraw/zinc/31/61/91/173316191.db2.gz IZPMESBFRBNUED-UHFFFAOYSA-N 0 0 238.400 2.297 50 0 BEAARN CNC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000010452608 173316288 /nfs/dbraw/zinc/31/62/88/173316288.db2.gz HVHKAFXEQIWZAV-UHFFFAOYSA-N 0 0 236.340 2.044 50 0 BEAARN CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000007374484 173407969 /nfs/dbraw/zinc/40/79/69/173407969.db2.gz BCASIEUPUHOWAA-UHFFFAOYSA-N 0 0 241.356 2.137 50 0 BEAARN CNc1c(Cl)cc(C(F)(F)F)c[n+]1[O-] ZINC000238323115 173470683 /nfs/dbraw/zinc/47/06/83/173470683.db2.gz YRHKIBQIXAIHND-UHFFFAOYSA-N 0 0 226.585 2.034 50 0 BEAARN COC(=O)CCCC(=O)c1ccccc1 ZINC000002584531 173529632 /nfs/dbraw/zinc/52/96/32/173529632.db2.gz GRIWFUFDJOESIC-UHFFFAOYSA-N 0 0 206.241 2.213 50 0 BEAARN COC(=O)CNc1ccc(OC(F)(F)F)cc1 ZINC000020047583 173609054 /nfs/dbraw/zinc/60/90/54/173609054.db2.gz RKOGBPKLVXNTSE-UHFFFAOYSA-N 0 0 249.188 2.170 50 0 BEAARN COC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000001459373 173693891 /nfs/dbraw/zinc/69/38/91/173693891.db2.gz DMYXKAHHUFBGDT-SNVBAGLBSA-N 0 0 208.257 2.244 50 0 BEAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1 ZINC000000399470 173698610 /nfs/dbraw/zinc/69/86/10/173698610.db2.gz BWMCGUZUOFOKJF-GFCCVEGCSA-N 0 0 249.310 2.004 50 0 BEAARN COC(=O)c1c(F)ccc(Cl)c1F ZINC000044199583 173844594 /nfs/dbraw/zinc/84/45/94/173844594.db2.gz IPAUPQAZOVCCSO-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN COC(=O)c1c(C)noc1-c1cccs1 ZINC000000120948 173843565 /nfs/dbraw/zinc/84/35/65/173843565.db2.gz YALZFFSWBIUQKN-UHFFFAOYSA-N 0 0 223.253 2.498 50 0 BEAARN COC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000000204272 173847215 /nfs/dbraw/zinc/84/72/15/173847215.db2.gz LSTUYMFZYOAFGT-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 biogenic BEAARN COC(=O)c1cc(N)ncc1-c1ccc(F)cc1 ZINC000047206566 173858695 /nfs/dbraw/zinc/85/86/95/173858695.db2.gz YVGJUMPFVRYOMG-UHFFFAOYSA-N 0 0 246.241 2.257 50 0 BEAARN COC(=O)c1ccc(NC(=O)C2CC2)c(C)c1 ZINC000012984698 173883812 /nfs/dbraw/zinc/88/38/12/173883812.db2.gz CQXAMVVAJMDYSZ-UHFFFAOYSA-N 0 0 233.267 2.130 50 0 BEAARN COC(=O)c1ccc(N[C@H]2CCCC[C@H]2C)nn1 ZINC000037527385 173885598 /nfs/dbraw/zinc/88/55/98/173885598.db2.gz WHKNFVUBXVJIEX-ZJUUUORDSA-N 0 0 249.314 2.254 50 0 BEAARN COC(=O)c1ccc2ccc(C(=O)OC)cc2c1 ZINC000002585513 173891623 /nfs/dbraw/zinc/89/16/23/173891623.db2.gz WYIBAMPRACRCOM-UHFFFAOYSA-N 0 0 244.246 2.413 50 0 BEAARN COC(=O)c1cccc(-c2ccnc(C)n2)c1 ZINC000011114492 173892280 /nfs/dbraw/zinc/89/22/80/173892280.db2.gz JNZREOLYWJGVGK-UHFFFAOYSA-N 0 0 228.251 2.239 50 0 BEAARN COC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000000123682 173895738 /nfs/dbraw/zinc/89/57/38/173895738.db2.gz LWOMBHVRHLEMNU-UHFFFAOYSA-N 0 0 245.234 2.319 50 0 BEAARN COC(=O)c1ccn(COc2ccccc2C)n1 ZINC000002537558 173901941 /nfs/dbraw/zinc/90/19/41/173901941.db2.gz YCCLPSZXSNEFNI-UHFFFAOYSA-N 0 0 246.266 2.015 50 0 BEAARN COC(=O)c1n[nH]c2cc(Cl)ccc21 ZINC000066055373 173913837 /nfs/dbraw/zinc/91/38/37/173913837.db2.gz ALYJEMREXVWPMM-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC(=O)c1nn(CC(C)C)c2c1CCCC2 ZINC000089856681 173918683 /nfs/dbraw/zinc/91/86/83/173918683.db2.gz FDLARQFKMUBJBY-UHFFFAOYSA-N 0 0 236.315 2.205 50 0 BEAARN COC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000048286550 174027060 /nfs/dbraw/zinc/02/70/60/174027060.db2.gz IFUIHMADWISFRT-UHFFFAOYSA-N 0 0 248.326 2.007 50 0 BEAARN COCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000040490109 174039126 /nfs/dbraw/zinc/03/91/26/174039126.db2.gz JRMJYROEBJLIBU-ZDUSSCGKSA-N 0 0 233.311 2.169 50 0 BEAARN COCC(=O)NC1CCC(c2ccccc2)CC1 ZINC000025099445 174046836 /nfs/dbraw/zinc/04/68/36/174046836.db2.gz WENZZRWDOPYMFB-UHFFFAOYSA-N 0 0 247.338 2.475 50 0 BEAARN COCC(=O)N[C@H](C)c1cc(C)sc1C ZINC000040509372 174055118 /nfs/dbraw/zinc/05/51/18/174055118.db2.gz MQWXGTJLAMCSJF-MRVPVSSYSA-N 0 0 227.329 2.189 50 0 BEAARN COCC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000040074606 174056225 /nfs/dbraw/zinc/05/62/25/174056225.db2.gz JDCSZXKQAKRVSE-ZCFIWIBFSA-N 0 0 233.720 2.225 50 0 BEAARN COCC(=O)Nc1c(C)cc(C)cc1C ZINC000000363473 174056779 /nfs/dbraw/zinc/05/67/79/174056779.db2.gz XZMRSYKEMFCZKR-UHFFFAOYSA-N 0 0 207.273 2.197 50 0 BEAARN COCC(=O)Nc1ccc(Br)cc1 ZINC000000363455 174058522 /nfs/dbraw/zinc/05/85/22/174058522.db2.gz UWPRWZGIASZACV-UHFFFAOYSA-N 0 0 244.088 2.034 50 0 BEAARN COCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000355189 174061581 /nfs/dbraw/zinc/06/15/81/174061581.db2.gz ZSDPCJILFHMGQO-UHFFFAOYSA-N 0 0 248.307 2.395 50 0 BEAARN COCC(C)(C)CNC(=O)[C@@H]1CC=CCC1 ZINC000067856010 174069906 /nfs/dbraw/zinc/06/99/06/174069906.db2.gz ZZUJORDCIVWZGP-LLVKDONJSA-N 0 0 225.332 2.132 50 0 BEAARN COCC1(C(=O)N[C@@H](C)c2ccco2)CCC1 ZINC000065452082 174089895 /nfs/dbraw/zinc/08/98/95/174089895.db2.gz XPPLVPYPSUNZRA-JTQLQIEISA-N 0 0 237.299 2.274 50 0 BEAARN COCCCNC(=O)C(C)(C)c1ccccc1 ZINC000074642656 174236013 /nfs/dbraw/zinc/23/60/13/174236013.db2.gz AFAZVWXYFOVQGE-UHFFFAOYSA-N 0 0 235.327 2.117 50 0 BEAARN COCCCNC(=O)Nc1cccc(Cl)c1 ZINC000006640727 174242454 /nfs/dbraw/zinc/24/24/54/174242454.db2.gz CBFUBRJEPCPAAS-UHFFFAOYSA-N 0 0 242.706 2.498 50 0 BEAARN COCCCNC(=O)Nc1ccc2c(c1)CCC2 ZINC000043390730 174242952 /nfs/dbraw/zinc/24/29/52/174242952.db2.gz HRJKLZWGNBNVOF-UHFFFAOYSA-N 0 0 248.326 2.333 50 0 BEAARN COCCCNC(=O)Nc1ccc(F)c(F)c1 ZINC000040525899 174242979 /nfs/dbraw/zinc/24/29/79/174242979.db2.gz OBVRCYBTRULCRR-UHFFFAOYSA-N 0 0 244.241 2.123 50 0 BEAARN COCCCNC(=O)c1cccc2cccnc21 ZINC000014183406 174245506 /nfs/dbraw/zinc/24/55/06/174245506.db2.gz NZAMCUIGWRFEJQ-UHFFFAOYSA-N 0 0 244.294 2.001 50 0 BEAARN COCCCNC(=S)Nc1ccccc1 ZINC000002688755 174245723 /nfs/dbraw/zinc/24/57/23/174245723.db2.gz QUYXVLRMERMETF-UHFFFAOYSA-N 0 0 224.329 2.010 50 0 BEAARN COCCN(CC(C)C)c1ncc(Cl)cn1 ZINC000096483172 174288366 /nfs/dbraw/zinc/28/83/66/174288366.db2.gz MNHQGWBSUYAQIU-UHFFFAOYSA-N 0 0 243.738 2.239 50 0 BEAARN COCCN(Cc1ccoc1)C(=O)c1ccco1 ZINC000085474176 174300652 /nfs/dbraw/zinc/30/06/52/174300652.db2.gz LGJKQCUHRUHATC-UHFFFAOYSA-N 0 0 249.266 2.161 50 0 BEAARN COCCNC(=O)/C=C/c1ccc(Cl)s1 ZINC000040032217 174319739 /nfs/dbraw/zinc/31/97/39/174319739.db2.gz SIYLFNBEEGCRKO-HWKANZROSA-N 0 0 245.731 2.177 50 0 BEAARN COCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002568852 174328447 /nfs/dbraw/zinc/32/84/47/174328447.db2.gz UYIKTVLXYHEYDY-UHFFFAOYSA-N 0 0 235.327 2.360 50 0 BEAARN COCCNc1ccc(C(F)(F)F)cn1 ZINC000020268638 174341219 /nfs/dbraw/zinc/34/12/19/174341219.db2.gz ARTVNXIPAGVLJJ-UHFFFAOYSA-N 0 0 220.194 2.159 50 0 BEAARN COCCSCc1cnn(-c2ccccc2)n1 ZINC000095404314 174376741 /nfs/dbraw/zinc/37/67/41/174376741.db2.gz TXAKUNSJVQAYIC-UHFFFAOYSA-N 0 0 249.339 2.147 50 0 BEAARN COCCSc1nnc(C2CC2)s1 ZINC000074795032 174377853 /nfs/dbraw/zinc/37/78/53/174377853.db2.gz GSUWZUHBMPEQIC-UHFFFAOYSA-N 0 0 216.331 2.154 50 0 BEAARN COCCn1c(C)c(C)c2cc(C(N)=O)ccc21 ZINC000069520198 174427791 /nfs/dbraw/zinc/42/77/91/174427791.db2.gz KYKIQRRFWOLYAH-UHFFFAOYSA-N 0 0 246.310 2.003 50 0 BEAARN COCOc1ccccc1Br ZINC000081945715 174432151 /nfs/dbraw/zinc/43/21/51/174432151.db2.gz ODYFUQZVGLEJJC-UHFFFAOYSA-N 0 0 217.062 2.432 50 0 BEAARN COC[C@H](C)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000179035887 174528832 /nfs/dbraw/zinc/52/88/32/174528832.db2.gz NOFHFURBNDDZQL-JTQLQIEISA-N 0 0 248.326 2.266 50 0 BEAARN COC[C@H](C)OC(=O)c1cc(C)ccc1F ZINC000069735888 174554053 /nfs/dbraw/zinc/55/40/53/174554053.db2.gz DXFQLZWHKMOOIC-VIFPVBQESA-N 0 0 226.247 2.326 50 0 BEAARN CON(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000097402926 174657690 /nfs/dbraw/zinc/65/76/90/174657690.db2.gz ITNPKUYNWKBAAX-HTQZYQBOSA-N 0 0 239.237 2.375 50 0 BEAARN CON(C)C(=O)c1cccc2c1CCCC2 ZINC000032198098 174659159 /nfs/dbraw/zinc/65/91/59/174659159.db2.gz QGFBEQFAPXCRSR-UHFFFAOYSA-N 0 0 219.284 2.199 50 0 BEAARN COP(=O)(OC)C(=O)c1ccccc1 ZINC000001631262 174670250 /nfs/dbraw/zinc/67/02/50/174670250.db2.gz TWNVJLOWMINFMB-UHFFFAOYSA-N 0 0 214.157 2.313 50 0 BEAARN COc1c(O)c(F)ccc1Br ZINC000042750076 174917801 /nfs/dbraw/zinc/91/78/01/174917801.db2.gz WEIXCZVNHCCENH-UHFFFAOYSA-N 0 0 221.025 2.302 50 0 BEAARN COc1cc(F)c(C(=O)OC(C)C)cc1OC ZINC000095414146 174991418 /nfs/dbraw/zinc/99/14/18/174991418.db2.gz LFCNXSYNNHSQGY-UHFFFAOYSA-N 0 0 242.246 2.408 50 0 BEAARN COc1cc(N)ccc1-c1ccc(CO)o1 ZINC000000810573 174996402 /nfs/dbraw/zinc/99/64/02/174996402.db2.gz FJBAMZUXNYAHKD-UHFFFAOYSA-N 0 0 219.240 2.030 50 0 BEAARN COc1cc(OC(F)(F)F)ccc1C=O ZINC000002527888 175006034 /nfs/dbraw/zinc/00/60/34/175006034.db2.gz FHNKHGICKRDRLC-UHFFFAOYSA-N 0 0 220.146 2.406 50 0 BEAARN COc1cc(O)ccc1Br ZINC000001599531 175006746 /nfs/dbraw/zinc/00/67/46/175006746.db2.gz UYDZUCNMZXCLJI-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN COc1cc2c(c(C=O)cn2C)c(OC)c1 ZINC000001296269 175008777 /nfs/dbraw/zinc/00/87/77/175008777.db2.gz CTAYNLZGYKRPEJ-UHFFFAOYSA-N 0 0 219.240 2.008 50 0 BEAARN COc1cc2ncc(C=O)cc2c(OC)c1 ZINC000038342028 175009840 /nfs/dbraw/zinc/00/98/40/175009840.db2.gz REMMPEQBRHIIEE-UHFFFAOYSA-N 0 0 217.224 2.065 50 0 BEAARN COc1cc(OC)cc(C2=NC(C)(C)CO2)c1 ZINC000000105828 175010470 /nfs/dbraw/zinc/01/04/70/175010470.db2.gz XTXONUCONQWJMR-UHFFFAOYSA-N 0 0 235.283 2.259 50 0 biogenic BEAARN COc1cc2c(cc1OC)C(C)=NCC2 ZINC000001667098 175024435 /nfs/dbraw/zinc/02/44/35/175024435.db2.gz VASUQTGZAPZKFK-UHFFFAOYSA-N 0 0 205.257 2.069 50 0 biogenic BEAARN COc1cc2sc(N)nc2c2cccnc12 ZINC000019772639 175028964 /nfs/dbraw/zinc/02/89/64/175028964.db2.gz NQEKOXDLTUXYMT-UHFFFAOYSA-N 0 0 231.280 2.435 50 0 BEAARN COc1ccc(-c2cc(=O)[nH]c(SC)n2)cc1 ZINC000031773256 175030333 /nfs/dbraw/zinc/03/03/33/175030333.db2.gz JDDMAGOOHMLCJA-UHFFFAOYSA-N 0 0 248.307 2.167 50 0 BEAARN COc1ccc(-c2cc(NC(C)C)ncn2)cn1 ZINC000065404255 175032047 /nfs/dbraw/zinc/03/20/47/175032047.db2.gz MOUAISVWGOAGLQ-UHFFFAOYSA-N 0 0 244.298 2.368 50 0 BEAARN COc1ccc(-c2ccc(CO)cn2)cc1 ZINC000035630067 175033003 /nfs/dbraw/zinc/03/30/03/175033003.db2.gz ALTSPZPVYXVOSW-UHFFFAOYSA-N 0 0 215.252 2.250 50 0 BEAARN COc1ccc(-c2cncc(N(C)C)n2)cc1F ZINC000097797198 175036518 /nfs/dbraw/zinc/03/65/18/175036518.db2.gz XLEZWBIPRTXZIA-UHFFFAOYSA-N 0 0 247.273 2.357 50 0 BEAARN COc1ccc(-c2csc(N)c2C(N)=O)cc1 ZINC000012398448 175037440 /nfs/dbraw/zinc/03/74/40/175037440.db2.gz BLSALEXXCUOPOI-UHFFFAOYSA-N 0 0 248.307 2.105 50 0 BEAARN COc1ccc(C2N=NC(=S)O2)c(OC)c1 ZINC000005938887 175042310 /nfs/dbraw/zinc/04/23/10/175042310.db2.gz BUKUWWLSVVGEAD-UHFFFAOYSA-N 0 0 238.268 2.043 50 0 BEAARN COc1ccc(/C=C(/C)[N+](=O)[O-])c(OC)c1 ZINC000019878472 175046383 /nfs/dbraw/zinc/04/63/83/175046383.db2.gz PCSLZZWXNFQQHN-VURMDHGXSA-N 0 0 223.228 2.341 50 0 BEAARN COc1ccc(C(=O)N2CCCCCC2)c(O)c1 ZINC000012941947 175056210 /nfs/dbraw/zinc/05/62/10/175056210.db2.gz NXDYEHRHSYKTND-UHFFFAOYSA-N 0 0 249.310 2.417 50 0 BEAARN COc1ccc(C(=O)N2CCCCC2)c(OC)c1 ZINC000000442653 175056242 /nfs/dbraw/zinc/05/62/42/175056242.db2.gz MCQBYHWBORIRFK-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN COc1ccc(C(=O)NCCC(C)C)cc1 ZINC000000362501 175059215 /nfs/dbraw/zinc/05/92/15/175059215.db2.gz DUJDIWRXPJRGCD-UHFFFAOYSA-N 0 0 221.300 2.471 50 0 BEAARN COc1ccc(C(=O)NCC(C)C)c(OC)c1 ZINC000000288833 175059692 /nfs/dbraw/zinc/05/96/92/175059692.db2.gz ANQJZAYIBOMBKB-UHFFFAOYSA-N 0 0 237.299 2.090 50 0 BEAARN COc1ccc(C(=O)Nc2cccnc2)cc1F ZINC000012537150 175063715 /nfs/dbraw/zinc/06/37/15/175063715.db2.gz FEDCRSDKWQAAMK-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(C(=O)Nc2ncc(C)s2)cn1 ZINC000010626705 175064852 /nfs/dbraw/zinc/06/48/52/175064852.db2.gz TVVFBMOYYZGHCG-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccc(C(=O)Sc2ncccn2)cc1 ZINC000005526902 175065423 /nfs/dbraw/zinc/06/54/23/175065423.db2.gz YTOYWVWEFGURMQ-UHFFFAOYSA-N 0 0 246.291 2.418 50 0 BEAARN COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@@H]1C ZINC000025762016 175074811 /nfs/dbraw/zinc/07/48/11/175074811.db2.gz XUUOEWPYCMSNCP-AAEUAGOBSA-N 0 0 247.338 2.318 50 0 BEAARN COc1ccc(C)cc1CCNC(=O)C1CCC1 ZINC000058342797 175075472 /nfs/dbraw/zinc/07/54/72/175075472.db2.gz HNRNVTCQSHUTSD-UHFFFAOYSA-N 0 0 247.338 2.462 50 0 BEAARN COc1ccc(C)cc1NC(=O)c1cnccn1 ZINC000000303894 175077480 /nfs/dbraw/zinc/07/74/80/175077480.db2.gz ZAFPCUCAMRAOFP-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccc(C=O)cc1OC[C@@H]1CCCO1 ZINC000014000206 175085777 /nfs/dbraw/zinc/08/57/77/175085777.db2.gz SUFFJIJSPVWTCP-NSHDSACASA-N 0 0 236.267 2.066 50 0 BEAARN COc1ccc(C=O)cc1OCC(F)(F)F ZINC000019435732 175085862 /nfs/dbraw/zinc/08/58/62/175085862.db2.gz LMCPOAPJLUJYQL-UHFFFAOYSA-N 0 0 234.173 2.449 50 0 BEAARN COc1ccc(CCC(=O)NC(C)C)cc1 ZINC000000474941 175088576 /nfs/dbraw/zinc/08/85/76/175088576.db2.gz XEQNFQJPYDZROA-UHFFFAOYSA-N 0 0 221.300 2.152 50 0 BEAARN COc1ccc(Cl)cc1N1CN=NC1=S ZINC000016972640 175119283 /nfs/dbraw/zinc/11/92/83/175119283.db2.gz ZNYJQSTZSPNJRW-UHFFFAOYSA-N 0 0 241.703 2.218 50 0 BEAARN COc1ccc(Cl)cc1C1N=NC(=S)N1 ZINC000006373183 175119375 /nfs/dbraw/zinc/11/93/75/175119375.db2.gz RJPQQJHHHGTVRK-UHFFFAOYSA-N 0 0 241.703 2.422 50 0 BEAARN COc1ccc(Cl)cc1-c1c[nH]nc1N ZINC000042413629 175119647 /nfs/dbraw/zinc/11/96/47/175119647.db2.gz DDWSNPFRYQBQJQ-UHFFFAOYSA-N 0 0 223.663 2.321 50 0 BEAARN COc1ccc(NC(=O)C(F)(F)F)c(OC)c1 ZINC000003093719 175140452 /nfs/dbraw/zinc/14/04/52/175140452.db2.gz NEKHRNLZTOZNON-UHFFFAOYSA-N 0 0 249.188 2.205 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2CC=CCC2)cn1 ZINC000012527903 175145858 /nfs/dbraw/zinc/14/58/58/175145858.db2.gz VHGKLCISBJLUCJ-SNVBAGLBSA-N 0 0 232.283 2.385 50 0 BEAARN COc1ccc(NC(=O)c2ccccc2)cn1 ZINC000005199233 175147194 /nfs/dbraw/zinc/14/71/94/175147194.db2.gz AUEUZSXCDHBGAR-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccc(NC(=O)c2ccsc2)cn1 ZINC000007150098 175148556 /nfs/dbraw/zinc/14/85/56/175148556.db2.gz LZCSAVGNNWIMLX-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN COc1ccc(OC(=O)c2ccncc2)cc1 ZINC000000240779 175162505 /nfs/dbraw/zinc/16/25/05/175162505.db2.gz IGNZDLMJRUFMCH-UHFFFAOYSA-N 0 0 229.235 2.309 50 0 biogenic BEAARN COc1ccc(OC)c(-c2cc[nH]n2)c1 ZINC000012420118 175163462 /nfs/dbraw/zinc/16/34/62/175163462.db2.gz JEFGLUGSZPRTEJ-UHFFFAOYSA-N 0 0 204.229 2.094 50 0 BEAARN COc1ccc(OC)c2oc(=O)c(C(C)=O)cc12 ZINC000002119851 175171433 /nfs/dbraw/zinc/17/14/33/175171433.db2.gz SJCQSQJSEQOAEP-UHFFFAOYSA-N 0 0 248.234 2.013 50 0 biogenic BEAARN COc1ccc(SC[C@H]2COCCO2)cc1 ZINC000352152369 175175226 /nfs/dbraw/zinc/17/52/26/175175226.db2.gz CVZJMKMYCALOKT-LLVKDONJSA-N 0 0 240.324 2.203 50 0 BEAARN COc1ccc([C@@H](N)C(=O)OC(C)(C)C)cc1 ZINC000025665296 175179360 /nfs/dbraw/zinc/17/93/60/175179360.db2.gz HHLVYXCZQVDRKB-LLVKDONJSA-N 0 0 237.299 2.037 50 0 BEAARN COc1ccc([C@@H]2CC(=O)CCO2)cc1 ZINC000069850978 175181814 /nfs/dbraw/zinc/18/18/14/175181814.db2.gz DADYYFMMZDWEEQ-LBPRGKRZSA-N 0 0 206.241 2.116 50 0 BEAARN COc1ccc2c(C)c(C)c(=O)oc2c1OC ZINC000000615058 175203928 /nfs/dbraw/zinc/20/39/28/175203928.db2.gz YHBFXOHIIQCYLN-UHFFFAOYSA-N 0 0 234.251 2.427 50 0 biogenic BEAARN COc1ccc2c(c1)nc(SC)n2C ZINC000005286059 175220094 /nfs/dbraw/zinc/22/00/94/175220094.db2.gz GIDHLXNYEZWWKS-UHFFFAOYSA-N 0 0 208.286 2.304 50 0 BEAARN COc1cccc(-c2ccnc3nc(C)nn32)c1 ZINC000065362927 175235664 /nfs/dbraw/zinc/23/56/64/175235664.db2.gz QMNPOERNCFADMW-UHFFFAOYSA-N 0 0 240.266 2.108 50 0 BEAARN COc1cccc(C(=O)NC(C)(C)C)c1 ZINC000000067995 175244522 /nfs/dbraw/zinc/24/45/22/175244522.db2.gz BBJIKDPUJFNWSL-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN COc1cccc(C(=O)NCc2ccccn2)c1 ZINC000000440701 175245549 /nfs/dbraw/zinc/24/55/49/175245549.db2.gz AWLFZYOWMPLPCC-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1cccc(C(=O)Nc2cc(C)on2)c1 ZINC000000369257 175246697 /nfs/dbraw/zinc/24/66/97/175246697.db2.gz PGJAJVASFPELNH-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1cccc(C=O)c1C(=O)N(C)C(C)(C)C ZINC000000337126 175249248 /nfs/dbraw/zinc/24/92/48/175249248.db2.gz WVQHTBOHZVQRJB-UHFFFAOYSA-N 0 0 249.310 2.378 50 0 BEAARN COc1cccc(CNc2ccncn2)c1 ZINC000040863189 175269275 /nfs/dbraw/zinc/26/92/75/175269275.db2.gz GONPMNIVXCLUJW-UHFFFAOYSA-N 0 0 215.256 2.097 50 0 BEAARN COc1cccc(I)c1 ZINC000000407076 175275661 /nfs/dbraw/zinc/27/56/61/175275661.db2.gz RSHBAGGASAJQCH-UHFFFAOYSA-N 0 0 234.036 2.300 50 0 in-vitro BEAARN COc1cccc(NC(=O)NC(C)C)c1 ZINC000000396486 175276864 /nfs/dbraw/zinc/27/68/64/175276864.db2.gz SFJYDRWNWUFAHD-UHFFFAOYSA-N 0 0 208.261 2.225 50 0 BEAARN COc1cccc(OC)c1C(=O)N1CCCCC1 ZINC000000226540 175281852 /nfs/dbraw/zinc/28/18/52/175281852.db2.gz PUCATIHEPDIDJQ-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN COc1cccc(OCCn2ccnc2C)c1 ZINC000041258841 175283487 /nfs/dbraw/zinc/28/34/87/175283487.db2.gz WZIPRWQPZIDRJH-UHFFFAOYSA-N 0 0 232.283 2.279 50 0 BEAARN COc1cccc(Oc2cc(C)nc(N)n2)c1 ZINC000001512829 175285055 /nfs/dbraw/zinc/28/50/55/175285055.db2.gz QSZZWWOCPAPNCJ-UHFFFAOYSA-N 0 0 231.255 2.168 50 0 BEAARN COc1cccc2c(CC(C)=O)c[nH]c21 ZINC000020269430 175299357 /nfs/dbraw/zinc/29/93/57/175299357.db2.gz YPYFBAIZFGSPLG-UHFFFAOYSA-N 0 0 203.241 2.308 50 0 BEAARN COc1cccc2c(OCCCO)cc(C)nc12 ZINC000095940428 175300261 /nfs/dbraw/zinc/30/02/61/175300261.db2.gz BTAKVAVBWVMNNQ-UHFFFAOYSA-N 0 0 247.294 2.313 50 0 BEAARN COc1cccc2cc(-c3ccnc(N)n3)oc21 ZINC000001393536 175306342 /nfs/dbraw/zinc/30/63/42/175306342.db2.gz RSZAYWALYOLGAU-UHFFFAOYSA-N 0 0 241.250 2.481 50 0 BEAARN COc1ccccc1-c1csc2nc(N)nn12 ZINC000031891249 175309923 /nfs/dbraw/zinc/30/99/23/175309923.db2.gz IMHWXXILFJFZPM-UHFFFAOYSA-N 0 0 246.295 2.049 50 0 BEAARN COc1ccccc1-c1ncccc1N ZINC000004244128 175311856 /nfs/dbraw/zinc/31/18/56/175311856.db2.gz PFVFWXHAXBAYGY-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN COc1ccccc1/C=C1\N=C(C)OC1=O ZINC000004693043 175314952 /nfs/dbraw/zinc/31/49/52/175314952.db2.gz HSKVPAFMAZDKCS-YFHOEESVSA-N 0 0 217.224 2.011 50 0 BEAARN COc1ccccc1C(=O)N1CCCCC1 ZINC000005721180 175317060 /nfs/dbraw/zinc/31/70/60/175317060.db2.gz UCDOHFYQADLCON-UHFFFAOYSA-N 0 0 219.284 2.321 50 0 BEAARN COc1ccccc1CC(=O)Nc1cc(C)on1 ZINC000000031689 175321390 /nfs/dbraw/zinc/32/13/90/175321390.db2.gz BBIPXOLOEIDWND-UHFFFAOYSA-N 0 0 246.266 2.173 50 0 BEAARN COc1ccccc1CNC(=O)C1CCC1 ZINC000000355200 175329079 /nfs/dbraw/zinc/32/90/79/175329079.db2.gz XSKLWOJKWFIIIN-UHFFFAOYSA-N 0 0 219.284 2.112 50 0 BEAARN COc1ccccc1NC(C)=C1CCOC1=O ZINC000100295967 175335806 /nfs/dbraw/zinc/33/58/06/175335806.db2.gz PWTMXXFSSKUZQM-MDZDMXLPSA-N 0 0 233.267 2.328 50 0 BEAARN COc1ccccc1NC(=O)[C@H]1C[C@H]1C ZINC000009457940 175336573 /nfs/dbraw/zinc/33/65/73/175336573.db2.gz LFVZNOLLHASXJZ-BDAKNGLRSA-N 0 0 205.257 2.290 50 0 BEAARN COc1ccccc1NC(=S)NC1CC1 ZINC000002191057 175336657 /nfs/dbraw/zinc/33/66/57/175336657.db2.gz UYWOZWIPBJOGMZ-UHFFFAOYSA-N 0 0 222.313 2.144 50 0 BEAARN COc1ccccc1NS(=O)(=O)CC(C)C ZINC000000437477 175338489 /nfs/dbraw/zinc/33/84/89/175338489.db2.gz TYPDHUAUBAIVKA-UHFFFAOYSA-N 0 0 243.328 2.093 50 0 BEAARN COc1ccccc1OC(=O)c1cnc(C)cn1 ZINC000007668420 175341080 /nfs/dbraw/zinc/34/10/80/175341080.db2.gz ATIROSXMFIKJBK-UHFFFAOYSA-N 0 0 244.250 2.013 50 0 BEAARN COc1ccccc1OCCn1cc(C)cn1 ZINC000097082537 175341754 /nfs/dbraw/zinc/34/17/54/175341754.db2.gz VKUQVIBQWQVWBS-UHFFFAOYSA-N 0 0 232.283 2.279 50 0 BEAARN COc1ccccc1[C@@H](N)c1ccco1 ZINC000043607204 175346909 /nfs/dbraw/zinc/34/69/09/175346909.db2.gz CGACMEIJSCCYLJ-GFCCVEGCSA-N 0 0 203.241 2.336 50 0 BEAARN COc1ccccc1[C@@H](O)c1ccccn1 ZINC000037464711 175347186 /nfs/dbraw/zinc/34/71/86/175347186.db2.gz RYTMGNRIMAHOFD-CYBMUJFWSA-N 0 0 215.252 2.172 50 0 BEAARN COc1ccccc1[C@H](CC(N)=O)c1ccco1 ZINC000005911669 175353139 /nfs/dbraw/zinc/35/31/39/175353139.db2.gz OOVPPLWHQJVSSB-NSHDSACASA-N 0 0 245.278 2.296 50 0 biogenic BEAARN COc1ccccc1[C@H](O)C(F)(F)F ZINC000000281999 175354194 /nfs/dbraw/zinc/35/41/94/175354194.db2.gz KPPGXFAXHCGFCQ-QMMMGPOBSA-N 0 0 206.163 2.291 50 0 BEAARN COc1cccnc1NC(=O)/C=C/c1ccco1 ZINC000069559937 175357201 /nfs/dbraw/zinc/35/72/01/175357201.db2.gz PCZABWKQRKTDPE-VOTSOKGWSA-N 0 0 244.250 2.335 50 0 BEAARN COc1ccncc1NC(=O)CCC(C)C ZINC000072051322 175374992 /nfs/dbraw/zinc/37/49/92/175374992.db2.gz ILASOKLDRILGKC-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN COc1cnc(C)cc1Br ZINC000079069434 175381313 /nfs/dbraw/zinc/38/13/13/175381313.db2.gz WUSNLOHKUBQSHK-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN COc1cncc(-c2ccc(F)c(CO)c2)c1 ZINC000067935213 175382649 /nfs/dbraw/zinc/38/26/49/175382649.db2.gz GCYAJDOBFNYUTP-UHFFFAOYSA-N 0 0 233.242 2.389 50 0 BEAARN CS(=O)(=O)c1ccc2ccccc2c1 ZINC000000399782 175438947 /nfs/dbraw/zinc/43/89/47/175438947.db2.gz BNRKPIUZQHYIAL-UHFFFAOYSA-N 0 0 206.266 2.243 50 0 BEAARN CSC1=NCCN1C(=O)Cc1ccc(C)cc1 ZINC000098018661 175456099 /nfs/dbraw/zinc/45/60/99/175456099.db2.gz BXRFIMILBAQOHN-UHFFFAOYSA-N 0 0 248.351 2.099 50 0 BEAARN CSCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000033028708 175460896 /nfs/dbraw/zinc/46/08/96/175460896.db2.gz WEJVIVQDRMLGCH-RKDXNWHRSA-N 0 0 201.335 2.044 50 0 BEAARN CSCCOC(=O)c1ccc(Cl)cn1 ZINC000096443010 175499861 /nfs/dbraw/zinc/49/98/61/175499861.db2.gz FSNQUAUHLFHPJR-UHFFFAOYSA-N 0 0 231.704 2.255 50 0 BEAARN CSC[C@H](C)C(=O)N1CCCOC(C)(C)C1 ZINC000242389330 175519060 /nfs/dbraw/zinc/51/90/60/175519060.db2.gz ZWHKTHNEIWWLAZ-JTQLQIEISA-N 0 0 245.388 2.013 50 0 BEAARN CS[C@H](Nc1ccccc1)N1CCOCC1 ZINC000032925311 175567378 /nfs/dbraw/zinc/56/73/78/175567378.db2.gz IWBHXMZTTZEXQZ-GFCCVEGCSA-N 0 0 238.356 2.077 50 0 BEAARN CS[C@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC000096119995 175568757 /nfs/dbraw/zinc/56/87/57/175568757.db2.gz ROIQVJIQBPYRGK-JTQLQIEISA-N 0 0 239.340 2.474 50 0 BEAARN CSc1ccc(C(=O)NC2CC2)cc1 ZINC000013019358 175574027 /nfs/dbraw/zinc/57/40/27/175574027.db2.gz ZPEUMWXRXJPJFU-UHFFFAOYSA-N 0 0 207.298 2.301 50 0 BEAARN CSc1ccc(C(=O)Nc2cnns2)o1 ZINC000189562444 175574609 /nfs/dbraw/zinc/57/46/09/175574609.db2.gz ZRUQDWPYBVVECX-UHFFFAOYSA-N 0 0 241.297 2.105 50 0 BEAARN CSc1cccc(-c2nnc(NC(C)=O)o2)c1 ZINC000004585584 175579188 /nfs/dbraw/zinc/57/91/88/175579188.db2.gz WZXMJHQTZUYMFP-UHFFFAOYSA-N 0 0 249.295 2.417 50 0 BEAARN CSc1nc(-c2ccc(C)cc2)cc(=O)[nH]1 ZINC000225519380 175587448 /nfs/dbraw/zinc/58/74/48/175587448.db2.gz RWHAFBAPIKSJRI-UHFFFAOYSA-N 0 0 232.308 2.467 50 0 BEAARN CSc1nsc(NC(=O)CC2CCC2)n1 ZINC000084629642 175593147 /nfs/dbraw/zinc/59/31/47/175593147.db2.gz YKHRDVYDLXFMQV-UHFFFAOYSA-N 0 0 243.357 2.389 50 0 BEAARN CSc1nnnn1-c1c(C)cc(C)cc1C ZINC000000073411 175593296 /nfs/dbraw/zinc/59/32/96/175593296.db2.gz ZTZQXZZGSIFWNO-UHFFFAOYSA-N 0 0 234.328 2.309 50 0 BEAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(N)=O ZINC000000392717 175634492 /nfs/dbraw/zinc/63/44/92/175634492.db2.gz MMICPGUPDRJGHH-JTQLQIEISA-N 0 0 218.300 2.366 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)c1ccncc1 ZINC000032817674 175775091 /nfs/dbraw/zinc/77/50/91/175775091.db2.gz IWZFMMVNVAEIRC-JTQLQIEISA-N 0 0 230.267 2.036 50 0 BEAARN C[C@@H](NC(=O)c1cccs1)[C@@H]1CCCO1 ZINC000006725504 175851698 /nfs/dbraw/zinc/85/16/98/175851698.db2.gz OGFXORSTWREMFF-BDAKNGLRSA-N 0 0 225.313 2.045 50 0 BEAARN C[C@@H](Oc1cccc(-c2cccnc2)c1)C(N)=O ZINC000032503319 176004919 /nfs/dbraw/zinc/00/49/19/176004919.db2.gz USQSRMAGHJMQND-SNVBAGLBSA-N 0 0 242.278 2.001 50 0 BEAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC1 ZINC000012924794 176004978 /nfs/dbraw/zinc/00/49/78/176004978.db2.gz ROPLIBBCPBECJL-SECBINFHSA-N 0 0 239.702 2.340 50 0 BEAARN C[C@@H](Sc1ccc2ccccc2n1)C(N)=O ZINC000005627159 176009698 /nfs/dbraw/zinc/00/96/98/176009698.db2.gz WSNBKADWQCUAES-MRVPVSSYSA-N 0 0 232.308 2.201 50 0 BEAARN C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)[O-] ZINC000062015241 176017046 /nfs/dbraw/zinc/01/70/46/176017046.db2.gz XZPORNPFGDMVGS-QMMMGPOBSA-N 0 0 227.691 2.417 50 0 BEAARN C[C@@H](c1ncc(C(C)(C)C)o1)S(C)(=O)=O ZINC000085226064 176039653 /nfs/dbraw/zinc/03/96/53/176039653.db2.gz FYYJWDWVIMJHJS-ZETCQYMHSA-N 0 0 231.317 2.078 50 0 BEAARN C[C@@H]1CC(=O)Nc2cc(Cl)ccc2O1 ZINC000000161133 176050350 /nfs/dbraw/zinc/05/03/50/176050350.db2.gz ISEWHYODXFJCHV-ZCFIWIBFSA-N 0 0 211.648 2.450 50 0 BEAARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000000445487 176069141 /nfs/dbraw/zinc/06/91/41/176069141.db2.gz WAFGZLAJBXLAEE-SNVBAGLBSA-N 0 0 247.294 2.430 50 0 BEAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCCO1 ZINC000032787637 176085593 /nfs/dbraw/zinc/08/55/93/176085593.db2.gz RBNVSMQLTNSFOS-UTUOFQBUSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C=O)[nH]1 ZINC000170653482 176085595 /nfs/dbraw/zinc/08/55/95/176085595.db2.gz KERVMWIDMSTHDI-ZWNOBZJWSA-N 0 0 248.326 2.478 50 0 BEAARN C[C@@H]1CCCN(C(=O)Nc2ccncn2)[C@@H]1C ZINC000194201274 176093352 /nfs/dbraw/zinc/09/33/52/176093352.db2.gz MUKPNXIOILSKNI-NXEZZACHSA-N 0 0 234.303 2.129 50 0 BEAARN C[C@@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 ZINC000082319260 176093641 /nfs/dbraw/zinc/09/36/41/176093641.db2.gz HUFAIJPLJDLZBQ-ZJUUUORDSA-N 0 0 213.346 2.141 50 0 BEAARN C[C@@H]1CCCN(C(=O)[C@H]2CCCS2)C1 ZINC000082319263 176094616 /nfs/dbraw/zinc/09/46/16/176094616.db2.gz HUFAIJPLJDLZBQ-NXEZZACHSA-N 0 0 213.346 2.141 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000035477536 176094669 /nfs/dbraw/zinc/09/46/69/176094669.db2.gz APKHOEQJTNPBQH-SECBINFHSA-N 0 0 233.315 2.159 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000041452832 176094699 /nfs/dbraw/zinc/09/46/99/176094699.db2.gz YSEDDFMFLJVIRO-SECBINFHSA-N 0 0 234.299 2.424 50 0 BEAARN C[C@@H](SC[C@H]1CCC[C@@H](C)C1)C(N)=O ZINC000108328157 176139345 /nfs/dbraw/zinc/13/93/45/176139345.db2.gz IWXFFWPZXPAOCY-BBBLOLIVSA-N 0 0 215.362 2.420 50 0 BEAARN C[C@@H]1CCN(C(N)=O)[C@@H]1c1cccc(F)c1 ZINC000081674356 176165939 /nfs/dbraw/zinc/16/59/39/176165939.db2.gz PLCNIXHLUKKDQB-KCJUWKMLSA-N 0 0 222.263 2.287 50 0 BEAARN C[C@@H]1CCO[C@H]1C(=O)Nc1ncccc1Cl ZINC000195552816 176193659 /nfs/dbraw/zinc/19/36/59/176193659.db2.gz PNHZRXVYZNPDSK-VXNVDRBHSA-N 0 0 240.690 2.099 50 0 BEAARN C[C@@H]1CCc2c(sc3ncn4cnnc4c23)C1 ZINC000000158860 176239553 /nfs/dbraw/zinc/23/95/53/176239553.db2.gz UAYUDDKMBRQIIL-SSDOTTSWSA-N 0 0 244.323 2.464 50 0 BEAARN C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCO1 ZINC000011230123 176260620 /nfs/dbraw/zinc/26/06/20/176260620.db2.gz NSBRPVRPAFZSHA-SNVBAGLBSA-N 0 0 245.278 2.294 50 0 BEAARN C[C@@H]1CN(CC(=O)c2cccs2)C[C@@H](C)O1 ZINC000025264906 176284661 /nfs/dbraw/zinc/28/46/61/176284661.db2.gz FBZPIFAWZWCJQW-NXEZZACHSA-N 0 0 239.340 2.040 50 0 BEAARN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1=O ZINC000068592693 176305656 /nfs/dbraw/zinc/30/56/56/176305656.db2.gz KUUYMZATYJQLLZ-VXGBXAGGSA-N 0 0 217.312 2.344 50 0 BEAARN C[C@@H]1CN(c2nc3ccccc3n2C)C[C@@H](C)O1 ZINC000033863906 176321002 /nfs/dbraw/zinc/32/10/02/176321002.db2.gz JRZHYBYMOSOUES-GHMZBOCLSA-N 0 0 245.326 2.187 50 0 BEAARN C[C@@H]1CSCCN1C(=O)Nc1nccs1 ZINC000072291887 176349745 /nfs/dbraw/zinc/34/97/45/176349745.db2.gz HDEOPRDJFDDFJH-SSDOTTSWSA-N 0 0 243.357 2.112 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000058393757 176384448 /nfs/dbraw/zinc/38/44/48/176384448.db2.gz WHYVVYQRRWBCCY-MFKMUULPSA-N 0 0 230.311 2.229 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCN(C)Cc2ccccc21 ZINC000089920448 176385616 /nfs/dbraw/zinc/38/56/16/176385616.db2.gz VSPNQOVMEANQFU-YPMHNXCESA-N 0 0 244.338 2.121 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1F ZINC000071899793 176386340 /nfs/dbraw/zinc/38/63/40/176386340.db2.gz NPSFRUGKWZCSFS-KCJUWKMLSA-N 0 0 239.265 2.280 50 0 BEAARN C[C@H]1O[C@](C)(c2cccc(O)c2)O[C@H]1C ZINC000255962641 176484128 /nfs/dbraw/zinc/48/41/28/176484128.db2.gz ANNCTEFTJPKYBJ-GDGBQDQQSA-N 0 0 208.257 2.389 50 0 BEAARN C[C@@]12CCN(C(=O)C3=CCC3)C[C@@H]1C2(F)F ZINC000336285197 176550205 /nfs/dbraw/zinc/55/02/05/176550205.db2.gz QUWIOFXFTHOUFP-GXSJLCMTSA-N 0 0 227.254 2.210 50 0 BEAARN C[C@H](CCCCCCC[NH3+])CC(=O)[O-] ZINC000004956335 176617909 /nfs/dbraw/zinc/61/79/09/176617909.db2.gz HDWCZZMTHBIJEC-SNVBAGLBSA-N 0 0 201.310 2.397 50 0 BEAARN C[C@H](CCn1cccn1)Nc1cccc(CO)c1 ZINC000170608718 176643641 /nfs/dbraw/zinc/64/36/41/176643641.db2.gz ZAWVMBFXWRGXMK-GFCCVEGCSA-N 0 0 245.326 2.266 50 0 BEAARN C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccccn1 ZINC000029728984 176802435 /nfs/dbraw/zinc/80/24/35/176802435.db2.gz LCSKDHAOQPQIAV-UWVGGRQHSA-N 0 0 233.315 2.240 50 0 BEAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000002556533 176805901 /nfs/dbraw/zinc/80/59/01/176805901.db2.gz QIARYQWAMYNMRX-QMMMGPOBSA-N 0 0 245.319 2.241 50 0 BEAARN C[C@H](NC(=O)[C@H]1CCCO1)c1cccs1 ZINC000043545233 176813638 /nfs/dbraw/zinc/81/36/38/176813638.db2.gz OUGFYXRJLGNINV-DTWKUNHWSA-N 0 0 225.313 2.104 50 0 BEAARN C[C@H](O)c1cccc(OCc2ccon2)c1 ZINC000084656273 177017379 /nfs/dbraw/zinc/01/73/79/177017379.db2.gz CSETXJQBFGTTSF-VIFPVBQESA-N 0 0 219.240 2.307 50 0 BEAARN C[C@H](Oc1cc(Cl)ccc1Cl)C(N)=O ZINC000003469410 177022305 /nfs/dbraw/zinc/02/23/05/177022305.db2.gz MFESCQZYBZCNLS-YFKPBYRVSA-N 0 0 234.082 2.246 50 0 BEAARN C[C@H](Oc1cccc2ccccc21)C(N)=O ZINC000006010751 177024018 /nfs/dbraw/zinc/02/40/18/177024018.db2.gz WYJKJOYWHVMPFL-VIFPVBQESA-N 0 0 215.252 2.092 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)Nc1cnoc1 ZINC000075170837 177024430 /nfs/dbraw/zinc/02/44/30/177024430.db2.gz ADGVNVKGHYNNTP-VIFPVBQESA-N 0 0 232.239 2.081 50 0 BEAARN C[C@H](SC[C@H](O)CO)c1c(F)cccc1F ZINC000089904502 177027486 /nfs/dbraw/zinc/02/74/86/177027486.db2.gz OAYPLTBJUMHENG-JGVFFNPUSA-N 0 0 248.294 2.112 50 0 BEAARN C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)[O-] ZINC000062015242 177035272 /nfs/dbraw/zinc/03/52/72/177035272.db2.gz XZPORNPFGDMVGS-MRVPVSSYSA-N 0 0 227.691 2.417 50 0 BEAARN C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790226 177042024 /nfs/dbraw/zinc/04/20/24/177042024.db2.gz QGBYAHVRAJXYBH-ZJUUUORDSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H](c1csnn1)N1CCC[C@@](C)(F)C1 ZINC000336267604 177052520 /nfs/dbraw/zinc/05/25/20/177052520.db2.gz ZOCPQIKWHWKRMC-PSASIEDQSA-N 0 0 229.324 2.423 50 0 BEAARN C[C@H]1C(=O)CCN(Cc2ccco2)[C@@H]1C ZINC000004127236 177056220 /nfs/dbraw/zinc/05/62/20/177056220.db2.gz JTDIADXWGUFCRY-NXEZZACHSA-N 0 0 207.273 2.079 50 0 BEAARN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2CC2)C1 ZINC000097138450 177063694 /nfs/dbraw/zinc/06/36/94/177063694.db2.gz LJHHOJBZZCGGLP-HZMBPMFUSA-N 0 0 239.359 2.090 50 0 BEAARN C[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000000445486 177073676 /nfs/dbraw/zinc/07/36/76/177073676.db2.gz WAFGZLAJBXLAEE-JTQLQIEISA-N 0 0 247.294 2.430 50 0 BEAARN C[C@H]1CCCN(C(=O)CNc2ccccc2)C1 ZINC000058372477 177091729 /nfs/dbraw/zinc/09/17/29/177091729.db2.gz CDNKWXRZVRYOHU-LBPRGKRZSA-N 0 0 232.327 2.357 50 0 BEAARN C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccncn1 ZINC000194201288 177093735 /nfs/dbraw/zinc/09/37/35/177093735.db2.gz MUKPNXIOILSKNI-VHSXEESVSA-N 0 0 234.303 2.129 50 0 BEAARN C[C@H]1CCCN(C(=O)c2cn3c(n2)CCCC3)C1 ZINC000075531365 177095505 /nfs/dbraw/zinc/09/55/05/177095505.db2.gz FUOOJIMBGBSOOM-NSHDSACASA-N 0 0 247.342 2.092 50 0 BEAARN C[C@@H]1CCC[C@H](C)N1Cc1nnc(C2CC2)[nH]1 ZINC000065455706 177117930 /nfs/dbraw/zinc/11/79/30/177117930.db2.gz MLJAIENIBZIRBF-AOOOYVTPSA-N 0 0 234.347 2.445 50 0 BEAARN C[C@H]1CCC[C@@H](NC(=O)CCCn2ccnc2)C1 ZINC000058107447 177121263 /nfs/dbraw/zinc/12/12/63/177121263.db2.gz OOSFNDWFGAIFOS-QWHCGFSZSA-N 0 0 249.358 2.358 50 0 BEAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccncc1 ZINC000000394437 177131057 /nfs/dbraw/zinc/13/10/57/177131057.db2.gz MUIZKOTWWDFSKR-QWRGUYRKSA-N 0 0 218.300 2.485 50 0 BEAARN C[C@H]1CC[N@H+](CC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000237604895 177159032 /nfs/dbraw/zinc/15/90/32/177159032.db2.gz RVDJMKDZRMUACA-ZANVPECISA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H]1CCc2c(sc3ncn(C)c(=O)c23)C1 ZINC000000143667 177209440 /nfs/dbraw/zinc/20/94/40/177209440.db2.gz RLRNHWGPOYHBOH-ZETCQYMHSA-N 0 0 234.324 2.120 50 0 BEAARN C[C@H]1CCc2sc3[nH]cnc(=NN)c3c2C1 ZINC000000536166 177210676 /nfs/dbraw/zinc/21/06/76/177210676.db2.gz VSNDFZKLFUBIQD-LURJTMIESA-N 0 0 234.328 2.102 50 0 BEAARN C[C@H]1CN(C(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000000397048 177219736 /nfs/dbraw/zinc/21/97/36/177219736.db2.gz ROQZZFTXXKVCDE-QWRGUYRKSA-N 0 0 240.347 2.138 50 0 BEAARN C[C@H]1CN(Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000023115058 177263940 /nfs/dbraw/zinc/26/39/40/177263940.db2.gz CKUXVHCLKWEFRC-QWRGUYRKSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000032905447 177278123 /nfs/dbraw/zinc/27/81/23/177278123.db2.gz AMBRVFDQBMYYMC-VIFPVBQESA-N 0 0 218.256 2.053 50 0 BEAARN C[C@H]1CN2c3ccccc3C(C)(C)[C@@]2(C)NC1=O ZINC000012660572 177280660 /nfs/dbraw/zinc/28/06/60/177280660.db2.gz AEHJWSHZRUZMLG-BONVTDFDSA-N 0 0 244.338 2.266 50 0 biogenic BEAARN C[C@H]1COCCN1C(=O)CCCc1ccccc1 ZINC000046746321 177289435 /nfs/dbraw/zinc/28/94/35/177289435.db2.gz BUOPTXUETUFDKI-ZDUSSCGKSA-N 0 0 247.338 2.257 50 0 BEAARN C[C@H]1COCCN1C/C=C\c1ccccc1 ZINC000102729015 177290507 /nfs/dbraw/zinc/29/05/07/177290507.db2.gz HBMOHTCBAWZCAC-UJZCVKTISA-N 0 0 217.312 2.421 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C/c2ccccc2)[C@@H](C)CO1 ZINC000058324169 177301168 /nfs/dbraw/zinc/30/11/68/177301168.db2.gz ONGFIMHMTAZHPB-AYSSICMYSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccncc2)C1 ZINC000012341625 177312199 /nfs/dbraw/zinc/31/21/99/177312199.db2.gz CDGRLWYOLPOJIH-PHIMTYICSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=S)NC2CC2)C1 ZINC000013827488 177312445 /nfs/dbraw/zinc/31/24/45/177312445.db2.gz ZDPKKDDUHJJTQO-DTORHVGOSA-N 0 0 212.362 2.001 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCCc1ccccc1 ZINC000013327818 177340043 /nfs/dbraw/zinc/34/00/43/177340043.db2.gz HLIGIRHLLXJEBJ-JQWIXIFHSA-N 0 0 203.285 2.001 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=O)c2cccnc2)C1 ZINC000001456452 177357747 /nfs/dbraw/zinc/35/77/47/177357747.db2.gz DFJFIOBLLXANPJ-QWRGUYRKSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccccn2)C1 ZINC000033023834 177357894 /nfs/dbraw/zinc/35/78/94/177357894.db2.gz PYDPTAHAJJXXDA-QWRGUYRKSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1F ZINC000012979419 177376413 /nfs/dbraw/zinc/37/64/13/177376413.db2.gz NDKGSXPHKMSDJX-GXSJLCMTSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000013019331 177376520 /nfs/dbraw/zinc/37/65/20/177376520.db2.gz ZTPCUNRIPJRXME-GXFFZTMASA-N 0 0 242.322 2.483 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000058264750 177377145 /nfs/dbraw/zinc/37/71/45/177377145.db2.gz KMEOZQHYWHCJLU-CMPLNLGQSA-N 0 0 245.326 2.276 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000006699832 177377266 /nfs/dbraw/zinc/37/72/66/177377266.db2.gz QXRIRHWVDVXPOD-OIBJUYFYSA-N 0 0 215.256 2.157 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=S)NC1CC1 ZINC000007522182 177390641 /nfs/dbraw/zinc/39/06/41/177390641.db2.gz MKNUWAZVFTUICI-VIFPVBQESA-N 0 0 232.352 2.475 50 0 BEAARN C[S@@](=O)c1ccccc1Br ZINC000038351097 177493171 /nfs/dbraw/zinc/49/31/71/177493171.db2.gz NNNHMHLNXXGWBA-JTQLQIEISA-N 0 0 219.103 2.187 50 0 BEAARN Cc1c(Cl)c[nH]c(=O)c1Br ZINC000040456705 177596585 /nfs/dbraw/zinc/59/65/85/177596585.db2.gz IKLYPWQHGKGSAQ-UHFFFAOYSA-N 0 0 222.469 2.099 50 0 BEAARN Cc1c(Cl)ccc2c(NN)ccnc12 ZINC000032099614 177597581 /nfs/dbraw/zinc/59/75/81/177597581.db2.gz PGKYDYFTIDVDTE-UHFFFAOYSA-N 0 0 207.664 2.482 50 0 BEAARN CSc1ccccc1-n1cc([C@H](C)O)nn1 ZINC000163369382 487717623 /nfs/dbraw/zinc/71/76/23/487717623.db2.gz LFOYFCQMHRAOJJ-QMMMGPOBSA-N 0 0 235.312 2.043 50 0 BEAARN COCCN(Cc1ccco1)C(=O)C=C(C)C ZINC000045485718 487841318 /nfs/dbraw/zinc/84/13/18/487841318.db2.gz KNUQFFUKSUDFKS-UHFFFAOYSA-N 0 0 237.299 2.221 50 0 BEAARN Cc1cc(C)n(CC2(O)CCCCC2)n1 ZINC000083586052 487923133 /nfs/dbraw/zinc/92/31/33/487923133.db2.gz CNMBNEPIUAUAAW-UHFFFAOYSA-N 0 0 208.305 2.195 50 0 BEAARN CC(C)(C)NC(=O)c1ccc(NC2CC2)nc1 ZINC000048965452 487936849 /nfs/dbraw/zinc/93/68/49/487936849.db2.gz WEQPFJDBSAOJFA-UHFFFAOYSA-N 0 0 233.315 2.184 50 0 BEAARN C(=C\c1cccc2c1OCCO2)\c1ccncn1 ZINC000255286225 322921319 /nfs/dbraw/zinc/92/13/19/322921319.db2.gz OLGWWCGZVJSKSN-PLNGDYQASA-N 0 0 240.262 2.418 50 0 BEAARN CSCCn1nc(C2CC2)nc1C1CC1 ZINC000097378071 322988017 /nfs/dbraw/zinc/98/80/17/322988017.db2.gz OBUUWPGNVRCADM-UHFFFAOYSA-N 0 0 223.345 2.396 50 0 BEAARN CC(=O)[C@H]1[C@@H]2C=C[C@@H]3[C@@H](C(C)=O)[C@@H]4C=C[C@H]1[C@H]4[C@@H]23 ZINC000248382142 323018259 /nfs/dbraw/zinc/01/82/59/323018259.db2.gz WAFUAESYRJBJEJ-ZEXGKBLPSA-N 0 0 242.318 2.261 50 0 BEAARN CCN(CC)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000018099832 323033472 /nfs/dbraw/zinc/03/34/72/323033472.db2.gz GTVUMRKCLOXJLX-PHIMTYICSA-N 0 0 212.337 2.426 50 0 BEAARN CCOCC1(CNC(=O)C2CCCC2)CCC1 ZINC000534591402 323154493 /nfs/dbraw/zinc/15/44/93/323154493.db2.gz FJWVGIYGPRQTMC-UHFFFAOYSA-N 0 0 239.359 2.500 50 0 BEAARN C/C=C/CC(=O)NCCCOC1CCCC1 ZINC000534633571 323156774 /nfs/dbraw/zinc/15/67/74/323156774.db2.gz QNGSYGMUCVVRHF-NSCUHMNNSA-N 0 0 225.332 2.418 50 0 BEAARN CC1(C)C(CNC(=O)CCc2cn[nH]c2)C1(C)C ZINC000534634283 323156839 /nfs/dbraw/zinc/15/68/39/323156839.db2.gz MJXGMKJIAXLHSC-UHFFFAOYSA-N 0 0 249.358 2.141 50 0 BEAARN Cc1nc(-c2cccc(-c3cnn(C)c3)c2)no1 ZINC000534652497 323157559 /nfs/dbraw/zinc/15/75/59/323157559.db2.gz FRYXBFQXTXKWQS-UHFFFAOYSA-N 0 0 240.266 2.446 50 0 BEAARN CCCc1cnc(NCC[C@@H]2CCCOC2)nc1 ZINC000534663465 323159210 /nfs/dbraw/zinc/15/92/10/323159210.db2.gz DYPDATHNWKJDMN-LBPRGKRZSA-N 0 0 249.358 2.080 50 0 BEAARN CCCCn1c(=O)ccc2c1CCCC2=O ZINC000088023750 323237241 /nfs/dbraw/zinc/23/72/41/323237241.db2.gz IUGSCASEALXJDU-UHFFFAOYSA-N 0 0 219.284 2.167 50 0 BEAARN CCN(CC(C)(C)O)C(=O)/C=C\c1ccccc1 ZINC000104241206 323264147 /nfs/dbraw/zinc/26/41/47/323264147.db2.gz KLALTHPJZIJCJD-KHPPLWFESA-N 0 0 247.338 2.319 50 0 BEAARN CC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000060642943 324048238 /nfs/dbraw/zinc/04/82/38/324048238.db2.gz OMXIOAJKTUUBBI-AWEZNQCLSA-N 0 0 226.279 2.307 50 0 BEAARN Cc1cccc(OCC2CCOCC2)n1 ZINC000546179539 325269983 /nfs/dbraw/zinc/26/99/83/325269983.db2.gz WAIRDHQGMPQKKN-UHFFFAOYSA-N 0 0 207.273 2.195 50 0 BEAARN Cc1nc(CN2CCCc3c(F)cccc32)no1 ZINC000079014182 325439573 /nfs/dbraw/zinc/43/95/73/325439573.db2.gz MSKBUQMZSRHQQN-UHFFFAOYSA-N 0 0 247.273 2.470 50 0 BEAARN CCc1ccc(C(=O)NCCc2cscn2)[nH]1 ZINC000219688423 488047613 /nfs/dbraw/zinc/04/76/13/488047613.db2.gz DJGFGQHQERJSJO-UHFFFAOYSA-N 0 0 249.339 2.006 50 0 BEAARN CC[C@H](C)[C@H](CO)Nc1ncccc1F ZINC000084487541 488053686 /nfs/dbraw/zinc/05/36/86/488053686.db2.gz CXGLKRWJIIHZHE-WPRPVWTQSA-N 0 0 212.268 2.040 50 0 BEAARN Cn1cccc1C(=O)NC1CCCCC1 ZINC000013001051 488054914 /nfs/dbraw/zinc/05/49/14/488054914.db2.gz QBZZJFKMPDVOFN-UHFFFAOYSA-N 0 0 206.289 2.088 50 0 BEAARN CCCCCCNC(=O)N1CCSCC1 ZINC000084743132 488090125 /nfs/dbraw/zinc/09/01/25/488090125.db2.gz AHDZALFYEPOHCU-UHFFFAOYSA-N 0 0 230.377 2.325 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)c(N(C)C)c1 ZINC000084793847 488098503 /nfs/dbraw/zinc/09/85/03/488098503.db2.gz LHEBBWJRBSZEOZ-YPMHNXCESA-N 0 0 246.354 2.333 50 0 BEAARN O=C(CNNc1ccccc1)c1ccccc1 ZINC000670431481 487484140 /nfs/dbraw/zinc/48/41/40/487484140.db2.gz GFUPSAAQZJBWGU-UHFFFAOYSA-N 0 0 226.279 2.486 50 0 BEAARN CC[C@H](NC(=O)CCSC)c1nc(C)c[nH]1 ZINC000670459815 487512368 /nfs/dbraw/zinc/51/23/68/487512368.db2.gz DAWSGHOTGNAMTH-VIFPVBQESA-N 0 0 241.360 2.039 50 0 BEAARN CC[C@]12OCCN1C[C@H](c1ccccc1)O2 ZINC000071788892 490278185 /nfs/dbraw/zinc/27/81/85/490278185.db2.gz JOPJKJFVMPDVNI-CHWSQXEVSA-N 0 0 219.284 2.154 50 0 BEAARN CN(C)C(=O)Cc1coc2cc(F)ccc12 ZINC000335809872 490321868 /nfs/dbraw/zinc/32/18/68/490321868.db2.gz JEUNMIOYXABOTO-UHFFFAOYSA-N 0 0 221.231 2.203 50 0 BEAARN COC(=O)NNc1cccc2c1OC(C)(C)C2 ZINC000075251408 490520012 /nfs/dbraw/zinc/52/00/12/490520012.db2.gz SCTMSUBMEWVOSF-UHFFFAOYSA-N 0 0 236.271 2.083 50 0 BEAARN c1nc2ncnc(N3CCc4ccccc43)c2[nH]1 ZINC000006309687 491066073 /nfs/dbraw/zinc/06/60/73/491066073.db2.gz YPKGRCBPMQLQDG-UHFFFAOYSA-N 0 0 237.266 2.047 50 0 BEAARN O=C([O-])[C@@H]1[NH2+]CCC[C@H]1C1CCCCC1 ZINC000139549327 582540017 /nfs/dbraw/zinc/54/00/17/582540017.db2.gz GLJDBGLMCFJXLJ-WDEREUQCSA-N 0 0 211.305 2.020 50 0 BEAARN Cc1cc(C)nc(NC(=O)c2ccncc2)c1 ZINC000008548837 518187105 /nfs/dbraw/zinc/18/71/05/518187105.db2.gz OHNITXVSMSXVHU-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN CC(C)Cc1nc(CS[C@H](C)CCO)no1 ZINC000071922085 519458952 /nfs/dbraw/zinc/45/89/52/519458952.db2.gz AMRXHCXEMQOYLT-SECBINFHSA-N 0 0 244.360 2.272 50 0 BEAARN CC(C)CC[C@@](C)(O)CNC(=O)C1CC=CC1 ZINC000075128852 519687524 /nfs/dbraw/zinc/68/75/24/519687524.db2.gz DGVVOHHHBRRXHO-CQSZACIVSA-N 0 0 239.359 2.256 50 0 BEAARN CCCCNC(=O)NCCc1ccccc1O ZINC000058178962 520638863 /nfs/dbraw/zinc/63/88/63/520638863.db2.gz XOTJMSFZQZWXCC-UHFFFAOYSA-N 0 0 236.315 2.034 50 0 BEAARN CCC[C@H](C)CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000241213337 521016532 /nfs/dbraw/zinc/01/65/32/521016532.db2.gz KOEZMIJNCLOAJQ-SDDRHHMPSA-N 0 0 227.348 2.496 50 0 BEAARN CCCc1cc(C(=O)OCc2ccco2)n[nH]1 ZINC000078442138 521362973 /nfs/dbraw/zinc/36/29/73/521362973.db2.gz ILYXCXZWJJMOPW-UHFFFAOYSA-N 0 0 234.255 2.312 50 0 BEAARN CCOC(=O)c1ccc(/C=C/c2ccncn2)o1 ZINC000157311644 521461537 /nfs/dbraw/zinc/46/15/37/521461537.db2.gz VTXLFRAZMRGEDI-ONEGZZNKSA-N 0 0 244.250 2.417 50 0 BEAARN CCc1cnc(C)nc1NCCCn1ccnc1 ZINC000065503482 522001888 /nfs/dbraw/zinc/00/18/88/522001888.db2.gz ZITJNVWUYNYUDI-UHFFFAOYSA-N 0 0 245.330 2.046 50 0 BEAARN CCc1nc(CN2C[C@@H](C)OC[C@H]2C)cs1 ZINC000249042096 522322921 /nfs/dbraw/zinc/32/29/21/522322921.db2.gz CTUFYUJCUZYSQS-NXEZZACHSA-N 0 0 240.372 2.315 50 0 BEAARN COCc1cccc(NC(=O)NCC2CC2)c1 ZINC000058058522 523068398 /nfs/dbraw/zinc/06/83/98/523068398.db2.gz DMWWSLNLLSSKRS-UHFFFAOYSA-N 0 0 234.299 2.365 50 0 BEAARN C[C@H](CCO)SCc1nc(C(C)(C)C)no1 ZINC000071922073 524219637 /nfs/dbraw/zinc/21/96/37/524219637.db2.gz TVYQMLPFXFGKOL-MRVPVSSYSA-N 0 0 244.360 2.371 50 0 BEAARN C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000246692708 525325309 /nfs/dbraw/zinc/32/53/09/525325309.db2.gz ALXGHPFSYFYVNK-ZZVYKPCYSA-N 0 0 244.338 2.498 50 0 BEAARN Cc1c(C)c(C(=O)OC(C)(C)C)[nH]c1C=O ZINC000002518824 525672325 /nfs/dbraw/zinc/67/23/25/525672325.db2.gz WUFIHVFXSVXBNL-UHFFFAOYSA-N 0 0 223.272 2.399 50 0 BEAARN C[C@@](O)(CNc1ccc(F)cn1)c1ccco1 ZINC000253415545 525778998 /nfs/dbraw/zinc/77/89/98/525778998.db2.gz VEQDATGJXJIELD-GFCCVEGCSA-N 0 0 236.246 2.133 50 0 BEAARN COc1cccc(C(=O)OCC[C@H](C)OC)c1 ZINC000078949267 525838912 /nfs/dbraw/zinc/83/89/12/525838912.db2.gz JYPFYKHRPUWNGU-JTQLQIEISA-N 0 0 238.283 2.277 50 0 BEAARN O=C(NCc1cc2ccccc2[nH]1)NCC1CC1 ZINC000058210216 526643964 /nfs/dbraw/zinc/64/39/64/526643964.db2.gz UTMWOHIYNOGCBA-UHFFFAOYSA-N 0 0 243.310 2.377 50 0 BEAARN CC(=O)N1CC[C@H](Cc2ccc(Cl)nc2)C1 ZINC000072343881 526662787 /nfs/dbraw/zinc/66/27/87/526662787.db2.gz YNSZOJHWJQAAPV-LLVKDONJSA-N 0 0 238.718 2.146 50 0 BEAARN Cc1nc(CN[C@@H](C)[C@H](C)n2cccn2)oc1C ZINC000069948465 526889994 /nfs/dbraw/zinc/88/99/94/526889994.db2.gz FQOYZOCQOSKBJA-ONGXEEELSA-N 0 0 248.330 2.227 50 0 BEAARN Cc1nc(CN[C@H](C)[C@@H](C)n2cccn2)oc1C ZINC000069948464 526892925 /nfs/dbraw/zinc/89/29/25/526892925.db2.gz FQOYZOCQOSKBJA-MWLCHTKSSA-N 0 0 248.330 2.227 50 0 BEAARN CC(=O)Nc1ccc(-c2ccc[nH]c2=O)cc1 ZINC000065397507 526931349 /nfs/dbraw/zinc/93/13/49/526931349.db2.gz GOVKVQQJFZAVJW-UHFFFAOYSA-N 0 0 228.251 2.000 50 0 BEAARN O=C(CSc1cccs1)NCC1CC1 ZINC000040512060 527046067 /nfs/dbraw/zinc/04/60/67/527046067.db2.gz BVDPJZPTLVYNLC-UHFFFAOYSA-N 0 0 227.354 2.366 50 0 BEAARN Cn1c2ccccc2c2c1CCCN(C)C2=O ZINC000407947196 527111330 /nfs/dbraw/zinc/11/13/30/527111330.db2.gz IEWIWTMTEUMDHJ-UHFFFAOYSA-N 0 0 228.295 2.197 50 0 BEAARN O=C(Cc1ccsc1)NCCc1ccccn1 ZINC000025322985 527317613 /nfs/dbraw/zinc/31/76/13/527317613.db2.gz TXNVUEHDLTXUAE-UHFFFAOYSA-N 0 0 246.335 2.045 50 0 BEAARN CCOC(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000000393678 527889391 /nfs/dbraw/zinc/88/93/91/527889391.db2.gz KOACXUOASKUNMQ-VXGBXAGGSA-N 0 0 204.269 2.428 50 0 BEAARN CCCCn1ccc(C(C)(C)C)nc1=O ZINC000408524930 535151921 /nfs/dbraw/zinc/15/19/21/535151921.db2.gz AYIDARWEGUDJJU-UHFFFAOYSA-N 0 0 208.305 2.341 50 0 BEAARN CCC/C=C/c1nccc(N2CCC[C@@H](O)C2)n1 ZINC000067921539 535224969 /nfs/dbraw/zinc/22/49/69/535224969.db2.gz LXKCAWXWWYDOJC-RPTYSRGTSA-N 0 0 247.342 2.251 50 0 BEAARN CCC(=O)NC(=S)N1CCCc2ccccc21 ZINC000000358861 535318659 /nfs/dbraw/zinc/31/86/59/535318659.db2.gz JIWDKCWXODYTFV-UHFFFAOYSA-N 0 0 248.351 2.250 50 0 BEAARN CCN1C(=O)COc2ccc(Cl)cc21 ZINC000015018933 535432507 /nfs/dbraw/zinc/43/25/07/535432507.db2.gz KQHXBDQOCZYRAU-UHFFFAOYSA-N 0 0 211.648 2.085 50 0 BEAARN CC[C@@H]1COCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000253606407 535831090 /nfs/dbraw/zinc/83/10/90/535831090.db2.gz LIUIAWRXCLZXMO-NDBYEHHHSA-N 0 0 237.343 2.060 50 0 BEAARN CC[C@H](C(=O)N1C[C@@H](O)C[C@@H]1C)c1ccccc1 ZINC000385168409 536089724 /nfs/dbraw/zinc/08/97/24/536089724.db2.gz VFNBFPIPWRDAIK-UBHSHLNASA-N 0 0 247.338 2.162 50 0 BEAARN COc1ccc(Cl)cc1Cn1cnc(C)n1 ZINC000408525259 536565878 /nfs/dbraw/zinc/56/58/78/536565878.db2.gz SHWMPWNQDQJPMJ-UHFFFAOYSA-N 0 0 237.690 2.297 50 0 BEAARN Cc1cc(Cn2c(=O)ccc3ccccc32)on1 ZINC000075144082 537926219 /nfs/dbraw/zinc/92/62/19/537926219.db2.gz CPFWEEKIXGHZNC-UHFFFAOYSA-N 0 0 240.262 2.346 50 0 BEAARN Cc1[nH]ccc1C(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000098018824 566472762 /nfs/dbraw/zinc/47/27/62/566472762.db2.gz UIVZHBPMADHSCH-RYUDHWBXSA-N 0 0 230.311 2.361 50 0 BEAARN Cc1cc(=O)[nH]cc1C(=O)N1CCCCCCC1 ZINC000098019305 566473518 /nfs/dbraw/zinc/47/35/18/566473518.db2.gz NJCCIBKQGRIVKM-UHFFFAOYSA-N 0 0 248.326 2.090 50 0 BEAARN C/C=C(/C)C(=O)Nc1ccc(O)cc1F ZINC000119478297 583197249 /nfs/dbraw/zinc/19/72/49/583197249.db2.gz CDZNRQXWAUTLEH-CLTKARDFSA-N 0 0 209.220 2.436 50 0 BEAARN CCC[C@H]1CCC(O)=C(C(=O)OCC)C1 ZINC000043651400 582805664 /nfs/dbraw/zinc/80/56/64/582805664.db2.gz XIPCNPGUFDSAMZ-UWVGGRQHSA-N 0 0 212.289 2.335 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@H](O)CC1(C)C ZINC000084306241 582947763 /nfs/dbraw/zinc/94/77/63/582947763.db2.gz YDWHJXKEBCZNDT-VIFPVBQESA-N 0 0 229.320 2.157 50 0 BEAARN COc1cc(OC)cc([C@@H]2CCN(C(C)=O)C2)c1 ZINC000081639872 583083173 /nfs/dbraw/zinc/08/31/73/583083173.db2.gz WNWYOFKYXILIED-LLVKDONJSA-N 0 0 249.310 2.040 50 0 BEAARN C=CC(=O)N[C@@H](C)c1csc(C2CC2)n1 ZINC000888102320 583182369 /nfs/dbraw/zinc/18/23/69/583182369.db2.gz MBLJSUHGYPHKJW-ZETCQYMHSA-N 0 0 222.313 2.384 50 0 BEAARN CSC[C@@H](C)C(=O)Nc1c[nH]nc1Cl ZINC000774219975 585654325 /nfs/dbraw/zinc/65/43/25/585654325.db2.gz REALHNZLUKUOJD-RXMQYKEDSA-N 0 0 233.724 2.001 50 0 BEAARN C=CC(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000791332632 585977819 /nfs/dbraw/zinc/97/78/19/585977819.db2.gz PDEAGWNQYHYXJA-UHFFFAOYSA-N 0 0 231.299 2.196 50 0 BEAARN C=CC(=O)N1CCC[C@@H]1Cc1ccccc1OC ZINC000791339307 585977978 /nfs/dbraw/zinc/97/79/78/585977978.db2.gz DBOCUDVEXBQCFM-CYBMUJFWSA-N 0 0 245.322 2.415 50 0 BEAARN C=CC(=O)N1CCSC2(CCCCC2)C1 ZINC000791378880 585979747 /nfs/dbraw/zinc/97/97/47/585979747.db2.gz COVGLDYXLLTKJI-UHFFFAOYSA-N 0 0 225.357 2.451 50 0 BEAARN C=CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000791387940 585980084 /nfs/dbraw/zinc/98/00/84/585980084.db2.gz VOBROJPFNDJHIQ-LLVKDONJSA-N 0 0 223.316 2.171 50 0 BEAARN C=CC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000848978981 588422756 /nfs/dbraw/zinc/42/27/56/588422756.db2.gz FZPSLKLWMVZIBG-NSHDSACASA-N 0 0 205.232 2.115 50 0 BEAARN C=CC(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000848978993 588422822 /nfs/dbraw/zinc/42/28/22/588422822.db2.gz GNPAZYOBPNFQAX-HNNXBMFYSA-N 0 0 245.322 2.457 50 0 BEAARN C=CC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000848978970 588422958 /nfs/dbraw/zinc/42/29/58/588422958.db2.gz FRFFRISEYQVHCI-SECBINFHSA-N 0 0 219.259 2.457 50 0 BEAARN C=CC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000863971080 589330194 /nfs/dbraw/zinc/33/01/94/589330194.db2.gz DOWWQGPJMSYHNS-LBPRGKRZSA-N 0 0 216.284 2.177 50 0 BEAARN C=CC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000863971275 589330301 /nfs/dbraw/zinc/33/03/01/589330301.db2.gz MSHONPDLYFUARM-JIMOISOXSA-N 0 0 233.698 2.280 50 0 BEAARN C=CC(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000863971448 589330543 /nfs/dbraw/zinc/33/05/43/589330543.db2.gz TZOPCPNORULCSK-GFCCVEGCSA-N 0 0 216.284 2.177 50 0 BEAARN C=CC(=O)NCC[C@H]1CSc2ccccc2O1 ZINC000863971465 589330568 /nfs/dbraw/zinc/33/05/68/589330568.db2.gz UJVAHBYHMUOMGD-JTQLQIEISA-N 0 0 249.335 2.232 50 0 BEAARN C=CC(=O)NCc1cccc(-c2cnco2)c1 ZINC000863971456 589330674 /nfs/dbraw/zinc/33/06/74/589330674.db2.gz UHANOXNLQPISNN-UHFFFAOYSA-N 0 0 228.251 2.144 50 0 BEAARN C=CC(=O)N1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000863971381 589330686 /nfs/dbraw/zinc/33/06/86/589330686.db2.gz QXFRBTYBUDEVPD-UHFFFAOYSA-N 0 0 243.306 2.255 50 0 BEAARN COc1nscc1-c1noc(C(C)(C)F)n1 ZINC000864097571 589344920 /nfs/dbraw/zinc/34/49/20/589344920.db2.gz ZZFSEZHMOWPKST-UHFFFAOYSA-N 0 0 243.263 2.406 50 0 BEAARN Nc1ccccc1-c1nc2ccccc2[nH]c1=O ZINC000008619208 591818712 /nfs/dbraw/zinc/81/87/12/591818712.db2.gz IAPFVKXVLLERHC-UHFFFAOYSA-N 0 0 237.262 2.172 50 0 BEAARN C/C=C(/C)C(=O)Nc1nc2c(s1)COCC2 ZINC000081732813 635490478 /nfs/dbraw/zinc/49/04/78/635490478.db2.gz PFOLTCFTHQUTOJ-CLTKARDFSA-N 0 0 238.312 2.121 50 0 BEAARN CCCn1nccc1-c1nccc(OCC)n1 ZINC000426685276 635759263 /nfs/dbraw/zinc/75/92/63/635759263.db2.gz JBNRXLFVRFBEBU-UHFFFAOYSA-N 0 0 232.287 2.149 50 0 BEAARN Fc1cc(Cl)cnc1OC[C@@H]1CCCO1 ZINC000094053517 635172975 /nfs/dbraw/zinc/17/29/75/635172975.db2.gz KBIWXSNDQMQSEY-QMMMGPOBSA-N 0 0 231.654 2.432 50 0 BEAARN Fc1ccc(COc2cccnn2)c(F)c1 ZINC000888096292 635373230 /nfs/dbraw/zinc/37/32/30/635373230.db2.gz RZQIMUSIGLMVOM-UHFFFAOYSA-N 0 0 222.194 2.334 50 0 BEAARN CSc1cccc(-n2cc([C@@H](C)O)nn2)c1 ZINC000163363751 636608047 /nfs/dbraw/zinc/60/80/47/636608047.db2.gz NLSJJFXLDLMWSD-MRVPVSSYSA-N 0 0 235.312 2.043 50 0 BEAARN Cc1ccc(CN(C)[C@@H](C)c2nc(C)no2)o1 ZINC000065622682 637913805 /nfs/dbraw/zinc/91/38/05/637913805.db2.gz GPHQDZIEMWEGSS-VIFPVBQESA-N 0 0 235.287 2.472 50 0 BEAARN Nc1cc(Br)ccc1OCCF ZINC000087774155 641026020 /nfs/dbraw/zinc/02/60/20/641026020.db2.gz OXOYUOLJJVIVEA-UHFFFAOYSA-N 0 0 234.068 2.380 50 0 BEAARN Cc1ccc(-c2ccc(C(N)=O)cc2)c(C)n1 ZINC000032547877 641364091 /nfs/dbraw/zinc/36/40/91/641364091.db2.gz GBFNIGOQQVXEOC-UHFFFAOYSA-N 0 0 226.279 2.464 50 0 BEAARN CO[C@@H](C)c1ccc(-c2cnc(N)cn2)cc1 ZINC000032576589 641388341 /nfs/dbraw/zinc/38/83/41/641388341.db2.gz CMYLLCQOUOFQDC-VIFPVBQESA-N 0 0 229.283 2.433 50 0 BEAARN CC(=O)c1cccc(-c2cc(C)nc(N)n2)c1 ZINC000032587362 641395683 /nfs/dbraw/zinc/39/56/83/641395683.db2.gz KDOAPIARJPHFNP-UHFFFAOYSA-N 0 0 227.267 2.237 50 0 BEAARN Cc1nc(/C=C\C(=O)N[C@H](C)C2CC2)cs1 ZINC000048557017 641692091 /nfs/dbraw/zinc/69/20/91/641692091.db2.gz AVHSTTRNMOTGNT-RPSMYOMKSA-N 0 0 236.340 2.379 50 0 BEAARN O=C(/C=C\c1cccs1)OC[C@H]1CCCO1 ZINC000033527704 642187067 /nfs/dbraw/zinc/18/70/67/642187067.db2.gz LYXPODAIQMTOLT-WWQCOOJYSA-N 0 0 238.308 2.484 50 0 BEAARN O=C(/C=C\c1cccs1)OC[C@@H]1CCCO1 ZINC000033527703 642187449 /nfs/dbraw/zinc/18/74/49/642187449.db2.gz LYXPODAIQMTOLT-OMMCCPJFSA-N 0 0 238.308 2.484 50 0 BEAARN CCCCC1C(=O)Nc2ccccc2NC1=O ZINC000071772983 642465019 /nfs/dbraw/zinc/46/50/19/642465019.db2.gz KBXAOESAISFHST-UHFFFAOYSA-N 0 0 232.283 2.384 50 0 BEAARN CCn1cc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)cn1 ZINC000077537487 642642485 /nfs/dbraw/zinc/64/24/85/642642485.db2.gz KNLCBDFTLCWQFM-DRZSPHRISA-N 0 0 247.342 2.212 50 0 BEAARN CC1(C)N2CCCN2C(=O)N1c1ccccc1 ZINC000000472784 642782974 /nfs/dbraw/zinc/78/29/74/642782974.db2.gz YNAJKXUNCVAMMK-UHFFFAOYSA-N 0 0 231.299 2.285 50 0 BEAARN C/C=C/CN1CCN(c2ccccc2O)CC1 ZINC000048236161 643594007 /nfs/dbraw/zinc/59/40/07/643594007.db2.gz FIADRQFSSILTKR-NSCUHMNNSA-N 0 0 232.327 2.090 50 0 BEAARN CCc1csc(NCc2cccc(N)n2)n1 ZINC000952995224 643790150 /nfs/dbraw/zinc/79/01/50/643790150.db2.gz FDWYXOIRHFDSQZ-UHFFFAOYSA-N 0 0 234.328 2.295 50 0 BEAARN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 ZINC000074148213 644271785 /nfs/dbraw/zinc/27/17/85/644271785.db2.gz HRHIKSLSMMWSSH-WDEREUQCSA-N 0 0 211.305 2.020 50 0 BEAARN CCC[C@@H](C(=O)NC(C)C)n1cccc1 ZINC000952963014 644445635 /nfs/dbraw/zinc/44/56/35/644445635.db2.gz NEDLTAXYSIDSMJ-NSHDSACASA-N 0 0 208.305 2.354 50 0 BEAARN CC(C)NC(=O)CC[C@@H]1c2ccccc2NC1=O ZINC000952963668 644446236 /nfs/dbraw/zinc/44/62/36/644446236.db2.gz DBQVWLHEIZOJEI-LLVKDONJSA-N 0 0 246.310 2.027 50 0 BEAARN CCC[C@H](C(=O)NC1CC1)n1cccc1 ZINC000952962513 644446671 /nfs/dbraw/zinc/44/66/71/644446671.db2.gz CBWOOUCETZXBBE-LLVKDONJSA-N 0 0 206.289 2.108 50 0 BEAARN CCCC[C@@H]1C=CCN1C(=O)Cn1ccnc1C ZINC000952977098 644447427 /nfs/dbraw/zinc/44/74/27/644447427.db2.gz OMBPDCNDVPMQOA-CYBMUJFWSA-N 0 0 247.342 2.149 50 0 BEAARN CNC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000032796728 644526585 /nfs/dbraw/zinc/52/65/85/644526585.db2.gz WPXOVVGVRKIPRJ-UHFFFAOYSA-N 0 0 216.284 2.073 50 0 BEAARN CCn1nc(C2CC2)nc1-c1ccc(C#N)nc1 ZINC000096140545 644799574 /nfs/dbraw/zinc/79/95/74/644799574.db2.gz WVIWDMYDJDVUDB-UHFFFAOYSA-N 0 0 239.282 2.109 50 0 BEAARN O=C(C1CC1)N1CC[C@H](c2cccs2)C1 ZINC000827907427 645912995 /nfs/dbraw/zinc/91/29/95/645912995.db2.gz WVVDOLWCUKEYLX-JTQLQIEISA-N 0 0 221.325 2.474 50 0 BEAARN CC(C)[C@@H]1CCC(=O)C[C@@H]1n1cccn1 ZINC000725358725 711664152 /nfs/dbraw/zinc/66/41/52/711664152.db2.gz BGOHFXNIOWXTFR-RYUDHWBXSA-N 0 0 206.289 2.449 50 0 BEAARN Nc1ccc(Br)cc1OCCF ZINC000703832794 712090098 /nfs/dbraw/zinc/09/00/98/712090098.db2.gz CPOFEFSKARVMFH-UHFFFAOYSA-N 0 0 234.068 2.380 50 0 BEAARN CC(C)CC(=O)N1CCCSC1=S ZINC000725375289 710755212 /nfs/dbraw/zinc/75/52/12/710755212.db2.gz KULVHNPXUUGTSO-UHFFFAOYSA-N 0 0 217.359 2.283 50 0 BEAARN C=CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000863971072 711795768 /nfs/dbraw/zinc/79/57/68/711795768.db2.gz DHLLPZGVLHZJRS-LLVKDONJSA-N 0 0 249.285 2.336 50 0 BEAARN O=c1c(C2CCCCC2)c(O)nc2ccccn12 ZINC000059367710 711930201 /nfs/dbraw/zinc/93/02/01/711930201.db2.gz RZHBKVOSMQRNNC-UHFFFAOYSA-N 0 0 244.294 2.448 50 0 BEAARN CC[C@@H](c1ccccn1)N(C)Cc1ncc[nH]1 ZINC000065455952 712398187 /nfs/dbraw/zinc/39/81/87/712398187.db2.gz DCWVSHDKJACGDJ-LBPRGKRZSA-N 0 0 230.315 2.388 50 0 BEAARN c1ccc(Cc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000065454046 712398250 /nfs/dbraw/zinc/39/82/50/712398250.db2.gz WPPLPRKWRJMPAE-LLVKDONJSA-N 0 0 229.283 2.247 50 0 BEAARN C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](C2CCCCC2)[NH2+]1 ZINC000757213802 712583097 /nfs/dbraw/zinc/58/30/97/712583097.db2.gz QZHGIDGLKZIHOG-USWWRNFRSA-N 0 0 225.332 2.408 50 0 BEAARN C=Cc1ccc(F)c(N2CCOCC2)c1 ZINC000164144723 1165951275 /nfs/dbraw/zinc/95/12/75/1165951275.db2.gz CJJQOGCGQIZBMI-UHFFFAOYSA-N 0 0 207.248 2.305 50 0 BEAARN COc1ccc(-c2ncccc2CO)cc1 ZINC000217567403 1168293478 /nfs/dbraw/zinc/29/34/78/1168293478.db2.gz XLBMCGBUYJZWQL-UHFFFAOYSA-N 0 0 215.252 2.250 50 0 BEAARN COCCCOC(=O)c1nc(Cl)sc1C ZINC000585079448 972111837 /nfs/dbraw/zinc/11/18/37/972111837.db2.gz AISHSSSKCAZRGU-UHFFFAOYSA-N 0 0 249.719 2.298 50 0 BEAARN Cc1cccc(NC(=O)N2C[C@H](C)[C@@H]2C)n1 ZINC000585086438 972123365 /nfs/dbraw/zinc/12/33/65/972123365.db2.gz AIPWOUZMCUHLDG-WPRPVWTQSA-N 0 0 219.288 2.262 50 0 BEAARN CCCCCOCC(=O)N1CC2CC1(C)C2 ZINC000585113956 972143975 /nfs/dbraw/zinc/14/39/75/972143975.db2.gz NBDIKTRFUFBVOF-UHFFFAOYSA-N 0 0 225.332 2.204 50 0 BEAARN O=C(Nc1ncccn1)N[C@H]1CC12CCCCC2 ZINC000585119757 972152431 /nfs/dbraw/zinc/15/24/31/972152431.db2.gz SHSWVKWGIVDTGB-JTQLQIEISA-N 0 0 246.314 2.321 50 0 BEAARN CSC[C@@H](C)C(=O)Nc1cnn2ccccc12 ZINC000585131292 972165687 /nfs/dbraw/zinc/16/56/87/972165687.db2.gz QVWZLCLJIPOKHW-SECBINFHSA-N 0 0 249.339 2.272 50 0 BEAARN Cn1c2ccccc2nc1O[C@H]1CCSC1 ZINC000585652301 961143654 /nfs/dbraw/zinc/14/36/54/961143654.db2.gz WYKNLHFULLOUOT-VIFPVBQESA-N 0 0 234.324 2.458 50 0 BEAARN Cc1nc(OC[C@@H]2CCCO2)sc1C ZINC000585652048 961145347 /nfs/dbraw/zinc/14/53/47/961145347.db2.gz KHGKYNBULSSLMO-VIFPVBQESA-N 0 0 213.302 2.318 50 0 BEAARN C[C@H](NC(=O)c1ccnnc1)C1=CCCCC1 ZINC000820723374 968482203 /nfs/dbraw/zinc/48/22/03/968482203.db2.gz MRBIFTWYGRPZRA-JTQLQIEISA-N 0 0 231.299 2.095 50 0 BEAARN CCC(=O)Nc1cc(C(=O)NC(C)C)ccc1C ZINC000822535048 968522870 /nfs/dbraw/zinc/52/28/70/968522870.db2.gz WWVYLDVKECJXIN-UHFFFAOYSA-N 0 0 248.326 2.482 50 0 BEAARN COCC[C@H](C)N1CC(Oc2ccccc2)C1 ZINC000824377526 968596151 /nfs/dbraw/zinc/59/61/51/968596151.db2.gz KEPLAXCWDMYACF-LBPRGKRZSA-N 0 0 235.327 2.175 50 0 BEAARN COc1cccc2c(=O)n(C3(C)CCC3)cnc12 ZINC000824804980 968619679 /nfs/dbraw/zinc/61/96/79/968619679.db2.gz KNSBJTYDAMSBOX-UHFFFAOYSA-N 0 0 244.294 2.304 50 0 BEAARN COc1ccc(-c2nc(C)nn2C(C)(C)C)cn1 ZINC000824750000 968619791 /nfs/dbraw/zinc/61/97/91/968619791.db2.gz YOUFTZLBSDVOJF-UHFFFAOYSA-N 0 0 246.314 2.412 50 0 BEAARN Cc1ncnc(OC2CCSCC2)c1C ZINC000585652695 973917588 /nfs/dbraw/zinc/91/75/88/973917588.db2.gz SOUFIXLYABSODZ-UHFFFAOYSA-N 0 0 224.329 2.368 50 0 BEAARN Cc1nc2ccccc2n1[C@@H]1CC[C@@H]1O ZINC000585298976 973920830 /nfs/dbraw/zinc/92/08/30/973920830.db2.gz XNCQQVKPUUFWOW-NEPJUHHUSA-N 0 0 202.257 2.041 50 0 BEAARN Cc1nc(OC[C@H]2CCCO2)sc1C ZINC000585652044 973921425 /nfs/dbraw/zinc/92/14/25/973921425.db2.gz KHGKYNBULSSLMO-SECBINFHSA-N 0 0 213.302 2.318 50 0 BEAARN Clc1ccc(O[C@H]2C[NH+]3CCC2CC3)nc1 ZINC000585655259 973923541 /nfs/dbraw/zinc/92/35/41/973923541.db2.gz ZFTPUGYFLJEYRC-NSHDSACASA-N 0 0 238.718 2.208 50 0 BEAARN C=CC(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000952884953 974051155 /nfs/dbraw/zinc/05/11/55/974051155.db2.gz VIAADQWQCIXASI-ZDUSSCGKSA-N 0 0 215.296 2.497 50 0 BEAARN c1cncc(-c2nc([C@@H]3CCCCO3)no2)c1 ZINC000952883279 974062193 /nfs/dbraw/zinc/06/21/93/974062193.db2.gz YJDJLMRTOVEJCC-JTQLQIEISA-N 0 0 231.255 2.373 50 0 BEAARN C=CC(=O)N1CC[C@H](c2cccc(C)c2)C1 ZINC000952884388 974062390 /nfs/dbraw/zinc/06/23/90/974062390.db2.gz ACXRMVFAEWBYMM-ZDUSSCGKSA-N 0 0 215.296 2.497 50 0 BEAARN C=CC(=O)N1CC[C@H](c2ccccc2C)C1 ZINC000952888396 974067295 /nfs/dbraw/zinc/06/72/95/974067295.db2.gz XSGGFPVUPAACSF-LBPRGKRZSA-N 0 0 215.296 2.497 50 0 BEAARN CNC(=O)c1ccc(NC(=O)C2CCC2)c(C)c1 ZINC000046594093 975603855 /nfs/dbraw/zinc/60/38/55/975603855.db2.gz NLXHLPYREWVDSB-UHFFFAOYSA-N 0 0 246.310 2.093 50 0 BEAARN CC(C)(C)N(C=O)c1cccc([N+](=O)[O-])c1 ZINC000005283987 980023871 /nfs/dbraw/zinc/02/38/71/980023871.db2.gz AZPYAJGRTAUABR-UHFFFAOYSA-N 0 0 222.244 2.356 50 0 BEAARN COC(=O)N1CC[C@@H](c2ccsc2)C1 ZINC000824155840 980373009 /nfs/dbraw/zinc/37/30/09/980373009.db2.gz BRRMGUVOPGFSOR-MRVPVSSYSA-N 0 0 211.286 2.304 50 0 BEAARN CC[C@H]1C=CCN1C(=O)CNc1ccc(F)cc1 ZINC001506399819 988772477 /nfs/dbraw/zinc/77/24/77/988772477.db2.gz JGMGBIJWUUBHCT-ZDUSSCGKSA-N 0 0 248.301 2.415 50 0 BEAARN CC[N@@H+](Cc1cnc(C)nc1)C[C@@H]1CCCCO1 ZINC001506399251 988773081 /nfs/dbraw/zinc/77/30/81/988773081.db2.gz CVMZKJCJLKZKIR-AWEZNQCLSA-N 0 0 249.358 2.176 50 0 BEAARN CC[C@@H]1C=CCN1C(=O)CNc1ccc(F)cc1 ZINC001506399815 988775585 /nfs/dbraw/zinc/77/55/85/988775585.db2.gz JGMGBIJWUUBHCT-CYBMUJFWSA-N 0 0 248.301 2.415 50 0 BEAARN C[C@@H](c1cccs1)N(C)C(=O)c1nccn1C ZINC001506415696 988777354 /nfs/dbraw/zinc/77/73/54/988777354.db2.gz ZUANZYIFKQQSKE-VIFPVBQESA-N 0 0 249.339 2.315 50 0 BEAARN CCCn1nc(C)c(NC(=O)c2ccc[nH]2)c1C ZINC001506421818 988778005 /nfs/dbraw/zinc/77/80/05/988778005.db2.gz WBXPAYPJFZANFL-UHFFFAOYSA-N 0 0 246.314 2.490 50 0 BEAARN CCCn1ncc(C)c1NC(=O)c1cc(C)on1 ZINC001506419224 988778525 /nfs/dbraw/zinc/77/85/25/988778525.db2.gz ZFSICIBBILHPRC-UHFFFAOYSA-N 0 0 248.286 2.150 50 0 BEAARN C[C@H](c1ccncc1)N(C)C(=O)Cn1cccc1 ZINC001506415191 988780775 /nfs/dbraw/zinc/78/07/75/988780775.db2.gz WOMATNNUKKTHIN-GFCCVEGCSA-N 0 0 243.310 2.103 50 0 BEAARN CCn1cc(CN(C)c2ccncc2F)c(C)n1 ZINC001506421702 988781103 /nfs/dbraw/zinc/78/11/03/988781103.db2.gz UITMJDCOJZIJAR-UHFFFAOYSA-N 0 0 248.305 2.382 50 0 BEAARN CCCn1nc(C)cc1NC(=O)[C@H](C)SC ZINC001529118703 990331181 /nfs/dbraw/zinc/33/11/81/990331181.db2.gz OHIFJLSNTXCIAZ-VIFPVBQESA-N 0 0 241.360 2.292 50 0 BEAARN Nc1cc(C(=O)NCC2CC2)ccc1Cl ZINC000019259178 1170672452 /nfs/dbraw/zinc/67/24/52/1170672452.db2.gz RIDMQQLPYFSPCY-UHFFFAOYSA-N 0 0 224.691 2.062 50 0 BEAARN Cc1cc(C)n(CCn2nc(C)cc2C)n1 ZINC000000551418 177929833 /nfs/dbraw/zinc/92/98/33/177929833.db2.gz HEHDQDQKBFFNGD-UHFFFAOYSA-N 0 0 218.304 2.013 50 0 BEAARN CCC(CC)(CC)CNC(=O)[C@H](C)OC ZINC000089942996 168313938 /nfs/dbraw/zinc/31/39/38/168313938.db2.gz KJZJHRUSMDGUCP-JTQLQIEISA-N 0 0 215.337 2.354 50 0 BEAARN CCCC(=O)C1CCN(Cc2cc(C)n[nH]2)CC1 ZINC000065458879 136210801 /nfs/dbraw/zinc/21/08/01/136210801.db2.gz ZHNFJQKSAMRVDJ-UHFFFAOYSA-N 0 0 249.358 2.299 50 0 BEAARN Cc1ccc(C(=O)Nc2nccs2)cn1 ZINC000044895776 398147505 /nfs/dbraw/zinc/14/75/05/398147505.db2.gz RGUJFNYKRODBKH-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1cc(CNC(=O)NC(C)C)ccc1F ZINC000012972538 178012285 /nfs/dbraw/zinc/01/22/85/178012285.db2.gz HOWDPDPUQOYYOT-UHFFFAOYSA-N 0 0 224.279 2.342 50 0 BEAARN Cc1cc(COC(=O)[C@H]2C[C@H]2c2ccco2)on1 ZINC000095956282 178047138 /nfs/dbraw/zinc/04/71/38/178047138.db2.gz WMTUWMBEHGCGAV-MNOVXSKESA-N 0 0 247.250 2.423 50 0 BEAARN Cc1cc(COc2cccnc2C)no1 ZINC000095428627 178050183 /nfs/dbraw/zinc/05/01/83/178050183.db2.gz VOPXIZJBAMQEBW-UHFFFAOYSA-N 0 0 204.229 2.265 50 0 BEAARN Cc1cc(CS[C@@H]2CCO[C@H]2C)no1 ZINC000095974155 178052658 /nfs/dbraw/zinc/05/26/58/178052658.db2.gz PUQZKTBAOXMEBJ-WCBMZHEXSA-N 0 0 213.302 2.394 50 0 BEAARN CC[C@@H](CO)Nc1nccc(C2CCCC2)n1 ZINC000071768026 398160068 /nfs/dbraw/zinc/16/00/68/398160068.db2.gz DVFCYUPXALVHIZ-NSHDSACASA-N 0 0 235.331 2.317 50 0 BEAARN CC[C@H](CO)Nc1nccc(C2CCCC2)n1 ZINC000071768027 398160086 /nfs/dbraw/zinc/16/00/86/398160086.db2.gz DVFCYUPXALVHIZ-LLVKDONJSA-N 0 0 235.331 2.317 50 0 BEAARN C[C@@H](Nc1cnccn1)[C@@H]1COc2ccccc21 ZINC000241316726 398160461 /nfs/dbraw/zinc/16/04/61/398160461.db2.gz LUJDZDRDCLRGDS-PWSUYJOCSA-N 0 0 241.294 2.453 50 0 BEAARN Nc1c(O)c(Br)ccc1Cl ZINC000071789983 398161788 /nfs/dbraw/zinc/16/17/88/398161788.db2.gz NCBNXOBDCGPHCX-UHFFFAOYSA-N 0 0 222.469 2.390 50 0 BEAARN Cc1cc(Cl)ccc1NS(C)(=O)=O ZINC000005680160 178069090 /nfs/dbraw/zinc/06/90/90/178069090.db2.gz BGVJXGUCBDDSIM-UHFFFAOYSA-N 0 0 219.693 2.020 50 0 BEAARN Cc1cc(F)cc(NCc2cncn2C)c1 ZINC000085729888 178079376 /nfs/dbraw/zinc/07/93/76/178079376.db2.gz PSEHBNDHCALYDQ-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN Cc1nnc(CNc2cc(C)cc(F)c2)o1 ZINC000235828697 178079573 /nfs/dbraw/zinc/07/95/73/178079573.db2.gz YEARLMGGBRINRW-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Cc1cc(F)ccc1C(=O)OC1CCOCC1 ZINC000097032011 178083043 /nfs/dbraw/zinc/08/30/43/178083043.db2.gz UXCGDYWDBXFOKK-UHFFFAOYSA-N 0 0 238.258 2.470 50 0 BEAARN Cc1cc(F)ccc1NCc1ncc[nH]1 ZINC000049714587 178090241 /nfs/dbraw/zinc/09/02/41/178090241.db2.gz ZGDRZGRGSPTDFZ-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN Cc1cc(N)c(O)c(Br)c1C ZINC000009504336 178104126 /nfs/dbraw/zinc/10/41/26/178104126.db2.gz IOTOGSVNGRJHCA-UHFFFAOYSA-N 0 0 216.078 2.354 50 0 BEAARN Cc1cc(N)ccc1NC(=O)C(F)(F)F ZINC000020344900 178105309 /nfs/dbraw/zinc/10/53/09/178105309.db2.gz LSWQZRMPXYFJNI-UHFFFAOYSA-N 0 0 218.178 2.078 50 0 BEAARN Cc1cc(N)ccc1NC(=O)c1ccc(N)cc1 ZINC000000225932 178105583 /nfs/dbraw/zinc/10/55/83/178105583.db2.gz YCSQADLXNHJXCN-UHFFFAOYSA-N 0 0 241.294 2.412 50 0 BEAARN CCC(CC)C(=O)Nc1nc(C(C)C)nn1C ZINC000078912870 168342259 /nfs/dbraw/zinc/34/22/59/168342259.db2.gz QAYUSRZWJPIPBB-UHFFFAOYSA-N 0 0 238.335 2.313 50 0 BEAARN Cc1cc(NC(=O)CCc2ccsc2)n(C)n1 ZINC000040504941 178128111 /nfs/dbraw/zinc/12/81/11/178128111.db2.gz JCHGBLYWLDJWSP-UHFFFAOYSA-N 0 0 249.339 2.361 50 0 BEAARN Cc1cc(NC(=O)CCc2ccccc2)nn1C ZINC000028573676 178128977 /nfs/dbraw/zinc/12/89/77/178128977.db2.gz LLUFJGGHBJXXKH-UHFFFAOYSA-N 0 0 243.310 2.300 50 0 BEAARN CC(C)Cn1cc(N[C@H]2CCSC2)cn1 ZINC000097038667 187327334 /nfs/dbraw/zinc/32/73/34/187327334.db2.gz URUWLMPTBMWGJG-JTQLQIEISA-N 0 0 225.361 2.457 50 0 BEAARN Cc1cc(NC(=O)Cc2ccccc2)no1 ZINC000003160945 178134624 /nfs/dbraw/zinc/13/46/24/178134624.db2.gz VNMMTIDRDIZJIP-UHFFFAOYSA-N 0 0 216.240 2.164 50 0 BEAARN COC(=O)[C@@H](C(C)C)N(C)Cc1ccccc1 ZINC000074938234 398209727 /nfs/dbraw/zinc/20/97/27/398209727.db2.gz IEYNQKIGJUQCNQ-CYBMUJFWSA-N 0 0 235.327 2.316 50 0 BEAARN Cc1cc(NC(=O)NCc2ccccc2)n(C)n1 ZINC000004110043 178140162 /nfs/dbraw/zinc/14/01/62/178140162.db2.gz DOEHPFSZACLALR-UHFFFAOYSA-N 0 0 244.298 2.050 50 0 BEAARN Cc1cc(NC(=O)N[C@H](C)c2ccccn2)no1 ZINC000044889590 178142291 /nfs/dbraw/zinc/14/22/91/178142291.db2.gz ABSORLAHGGPNAT-SECBINFHSA-N 0 0 246.270 2.261 50 0 BEAARN Cc1cc(NC(=O)[C@@H](C)Nc2ccccc2)no1 ZINC000024978516 178143761 /nfs/dbraw/zinc/14/37/61/178143761.db2.gz CKXMEERQKUVQFX-SNVBAGLBSA-N 0 0 245.282 2.422 50 0 BEAARN Cc1csc(N(C)C(=O)c2ccoc2)n1 ZINC000036397687 343984186 /nfs/dbraw/zinc/98/41/86/343984186.db2.gz ZGWGWGDMPNVAQN-UHFFFAOYSA-N 0 0 222.269 2.321 50 0 BEAARN Cc1cc(NC(=O)c2cccc(F)c2)n(C)n1 ZINC000013596268 178149773 /nfs/dbraw/zinc/14/97/73/178149773.db2.gz SHDGFIKLQHJYEY-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cc1cc(NC(=O)c2ccccc2)on1 ZINC000013596627 178151607 /nfs/dbraw/zinc/15/16/07/178151607.db2.gz CADOEQYBQMUJRK-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Cc1cc(NC(=O)c2cccs2)no1 ZINC000000030970 178151916 /nfs/dbraw/zinc/15/19/16/178151916.db2.gz CSNHUYLTHDWJQS-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN CC(=O)c1ncccc1Br ZINC000074937888 398209985 /nfs/dbraw/zinc/20/99/85/398209985.db2.gz SMOWKFOTFNHSBT-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN CCCCOC1CN(C(=O)OC(C)(C)C)C1 ZINC000074938070 398209998 /nfs/dbraw/zinc/20/99/98/398209998.db2.gz CQLQGCMGYSUPQX-UHFFFAOYSA-N 0 0 229.320 2.422 50 0 BEAARN COC(=O)c1nc(-c2cccc(N)c2)cs1 ZINC000074934356 398210024 /nfs/dbraw/zinc/21/00/24/398210024.db2.gz OAUXBAJKZQHHOH-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN Cc1cc(NCC2(C)CCOCC2)no1 ZINC000158663117 178157158 /nfs/dbraw/zinc/15/71/58/178157158.db2.gz WQPFFBZALYUTCE-UHFFFAOYSA-N 0 0 210.277 2.212 50 0 BEAARN CC(C)(C)c1nnnn1CCCCCF ZINC000253415834 187330488 /nfs/dbraw/zinc/33/04/88/187330488.db2.gz FPTXITRMGHMZPP-UHFFFAOYSA-N 0 0 214.288 2.110 50 0 BEAARN Cc1cc(O[C@H](C)C(N)=O)cc(C)c1Cl ZINC000033433837 178213663 /nfs/dbraw/zinc/21/36/63/178213663.db2.gz JPRVDCGRAXDIKX-MRVPVSSYSA-N 0 0 227.691 2.209 50 0 BEAARN O=C([O-])c1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000075869123 398229728 /nfs/dbraw/zinc/22/97/28/398229728.db2.gz PNGDLMLLAXMYDS-NSHDSACASA-N 0 0 205.257 2.199 50 0 BEAARN Cc1cc(Nc2ccc(F)c(F)c2)nc(N)n1 ZINC000072436911 178191897 /nfs/dbraw/zinc/19/18/97/178191897.db2.gz PHGDZDXSNUMPRT-UHFFFAOYSA-N 0 0 236.225 2.389 50 0 BEAARN Cc1cc(Nc2c(F)cccc2F)nc(N)n1 ZINC000072446833 178191927 /nfs/dbraw/zinc/19/19/27/178191927.db2.gz OPSALNLKUAPSFT-UHFFFAOYSA-N 0 0 236.225 2.389 50 0 BEAARN Cc1cc(Nc2ccccc2)nc(N)n1 ZINC000000271571 178193983 /nfs/dbraw/zinc/19/39/83/178193983.db2.gz FHBLLCUQBZVVMP-UHFFFAOYSA-N 0 0 200.245 2.111 50 0 BEAARN Cc1cc(O)cc(O)c1C(=O)Cc1cscn1 ZINC000000407257 178199846 /nfs/dbraw/zinc/19/98/46/178199846.db2.gz SXBIXBCMSIGHAW-UHFFFAOYSA-N 0 0 249.291 2.288 50 0 BEAARN Cc1cc(=O)n2nc3cccc(F)c3c2[nH]1 ZINC000100094102 178201800 /nfs/dbraw/zinc/20/18/00/178201800.db2.gz ZYUYSIOLJFXPAO-UHFFFAOYSA-N 0 0 217.203 2.036 50 0 BEAARN CCN(Cc1c(F)cccc1F)C[C@H](C)O ZINC000170591372 361755389 /nfs/dbraw/zinc/75/53/89/361755389.db2.gz QEJFZUFIOFWJJK-VIFPVBQESA-N 0 0 229.270 2.168 50 0 BEAARN Cc1noc2ncnc(N3CCCCCC3)c12 ZINC000020575125 538932572 /nfs/dbraw/zinc/93/25/72/538932572.db2.gz MOSRYLJOABXILF-UHFFFAOYSA-N 0 0 232.287 2.307 50 0 BEAARN Cc1cc(SCC(C)C)n2ncnc2n1 ZINC000000183167 178218201 /nfs/dbraw/zinc/21/82/01/178218201.db2.gz JNFQUODMJBRRQK-UHFFFAOYSA-N 0 0 222.317 2.181 50 0 BEAARN CCN(C)C(=O)Oc1cccc([C@@H](C)O)c1 ZINC000139353244 361776027 /nfs/dbraw/zinc/77/60/27/361776027.db2.gz UPFRTBVKMHUBLD-SECBINFHSA-N 0 0 223.272 2.190 50 0 BEAARN Cc1cc([C@@H](C)NCc2nnc(C)o2)c(C)o1 ZINC000097112016 178229768 /nfs/dbraw/zinc/22/97/68/178229768.db2.gz CVBTZTJDPZGDED-MRVPVSSYSA-N 0 0 235.287 2.439 50 0 BEAARN CC[C@H](C)C(=O)NCCN1Cc2ccccc2C1 ZINC000170593472 361765804 /nfs/dbraw/zinc/76/58/04/361765804.db2.gz ITVUUQNFTJKCNP-LBPRGKRZSA-N 0 0 246.354 2.165 50 0 BEAARN CCCCC(=O)NCc1nn(C)c2ccccc12 ZINC000170595170 361767544 /nfs/dbraw/zinc/76/75/44/361767544.db2.gz GMADCYLRCVIYQF-UHFFFAOYSA-N 0 0 245.326 2.380 50 0 BEAARN Cc1cc([C@H](C)NCc2nnc(C)o2)c(C)o1 ZINC000097112018 178251926 /nfs/dbraw/zinc/25/19/26/178251926.db2.gz CVBTZTJDPZGDED-QMMMGPOBSA-N 0 0 235.287 2.439 50 0 BEAARN CC(C)[C@@H](CNC(=O)CC1CC1)c1ccnn1C ZINC000170606369 361796023 /nfs/dbraw/zinc/79/60/23/361796023.db2.gz CSOGGZGFWLMZDG-GFCCVEGCSA-N 0 0 249.358 2.076 50 0 BEAARN Cc1cc2c(ncnc2NCc2ncc[nH]2)s1 ZINC000095986683 178280526 /nfs/dbraw/zinc/28/05/26/178280526.db2.gz AYGJIIGITCLHSG-UHFFFAOYSA-N 0 0 245.311 2.335 50 0 BEAARN Cc1cc2c(cc1C(=O)NC1CC1)OCCCO2 ZINC000035511645 178284554 /nfs/dbraw/zinc/28/45/54/178284554.db2.gz RDPPAVJXIZSQLC-UHFFFAOYSA-N 0 0 247.294 2.049 50 0 BEAARN Cc1cc2c(cc1C)NC(=O)[C@@H](C)CN2 ZINC000004558837 178284899 /nfs/dbraw/zinc/28/48/99/178284899.db2.gz DGWRTJIQODQNBP-VIFPVBQESA-N 0 0 204.273 2.304 50 0 BEAARN Cc1cc2nc(Cl)cc(Cl)n2n1 ZINC000071475542 178301392 /nfs/dbraw/zinc/30/13/92/178301392.db2.gz GVBFQCRXNZJBFB-UHFFFAOYSA-N 0 0 202.044 2.345 50 0 BEAARN Cc1cc2nccc(-c3cc(O)ccc3O)n2n1 ZINC000072405377 178303843 /nfs/dbraw/zinc/30/38/43/178303843.db2.gz YEFBGZMQLFKMFV-UHFFFAOYSA-N 0 0 241.250 2.116 50 0 BEAARN Cc1ccc(-c2cn3cccnc3n2)cc1N ZINC000004945654 178327353 /nfs/dbraw/zinc/32/73/53/178327353.db2.gz BBYBWJPSOJQOHP-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN Cc1cc[nH]c1C(=O)N[C@@H](C)C(C)(F)F ZINC000334634355 178313796 /nfs/dbraw/zinc/31/37/96/178313796.db2.gz LUKVFRANNGPZTI-ZETCQYMHSA-N 0 0 216.231 2.097 50 0 BEAARN Cc1ccc(-c2ccc(=O)[nH]n2)c(C)c1 ZINC000000390412 178323121 /nfs/dbraw/zinc/32/31/21/178323121.db2.gz LNQLKXHPBPZDMH-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN C[C@@H](NC(=O)c1cnn(C)c1)c1ccccc1F ZINC000023545015 538944711 /nfs/dbraw/zinc/94/47/11/538944711.db2.gz LCUYRFMWDCQSDQ-SECBINFHSA-N 0 0 247.273 2.050 50 0 BEAARN Cc1ccc(-c2nc(C(N)=O)c(Cl)o2)cc1 ZINC000096346276 178332406 /nfs/dbraw/zinc/33/24/06/178332406.db2.gz ZYOSTRBFMZHOPN-UHFFFAOYSA-N 0 0 236.658 2.402 50 0 BEAARN Cc1ccc(-c2nc(NC(=O)CO)cs2)cc1 ZINC000000342427 178336227 /nfs/dbraw/zinc/33/62/27/178336227.db2.gz NLOMIRCCXVKHRW-UHFFFAOYSA-N 0 0 248.307 2.049 50 0 BEAARN Cc1nnc2sc(-c3ccc(C)cc3)nn12 ZINC000000385094 178339488 /nfs/dbraw/zinc/33/94/88/178339488.db2.gz GKGYQBHRQDRAII-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN Cc1ccc(-c2noc([C@@H](C)OC(C)C)n2)nn1 ZINC000091932232 178343323 /nfs/dbraw/zinc/34/33/23/178343323.db2.gz UEDZOVKZNGOWTJ-SECBINFHSA-N 0 0 248.286 2.321 50 0 BEAARN Cc1ccc(-c2noc([C@@H]3CCCCO3)n2)nn1 ZINC000082109502 178344091 /nfs/dbraw/zinc/34/40/91/178344091.db2.gz JYXDSVRIIBMSAV-JTQLQIEISA-N 0 0 246.270 2.077 50 0 BEAARN Cc1ccc(-c2csc(CC(N)=O)n2)cc1C ZINC000008042200 178329776 /nfs/dbraw/zinc/32/97/76/178329776.db2.gz ISQPFSWGGGAMRQ-UHFFFAOYSA-N 0 0 246.335 2.455 50 0 BEAARN Cc1ccc(/C=C2/SC(=N)NC2=O)s1 ZINC000005602384 178356094 /nfs/dbraw/zinc/35/60/94/178356094.db2.gz QSCATTCVNHITGW-QPJJXVBHSA-N 0 0 224.310 2.195 50 0 BEAARN Cc1ccc(/C=C2\SC(=N)NC2=O)c(C)c1 ZINC000059566256 178356588 /nfs/dbraw/zinc/35/65/88/178356588.db2.gz PYHULSBLEABOBK-POHAHGRESA-N 0 0 232.308 2.442 50 0 BEAARN Fc1ccccc1-c1nnc(CN2CCCC2)o1 ZINC000030824859 538949643 /nfs/dbraw/zinc/94/96/43/538949643.db2.gz XRXZZMPPKJQVFR-UHFFFAOYSA-N 0 0 247.273 2.472 50 0 BEAARN Cc1ccc(-n2nnnc2NC2CCCC2)cc1 ZINC000048607764 178350340 /nfs/dbraw/zinc/35/03/40/178350340.db2.gz ZMENFIAYTQUUQG-UHFFFAOYSA-N 0 0 243.314 2.325 50 0 BEAARN Cc1ccc(-n2nnnc2SC(C)C)cc1 ZINC000006522816 178350994 /nfs/dbraw/zinc/35/09/94/178350994.db2.gz CSPZSQUTNYHSAF-UHFFFAOYSA-N 0 0 234.328 2.471 50 0 BEAARN Cc1ccc(/C=C/C(=O)NC2=NCCS2)cc1 ZINC000000475178 178352944 /nfs/dbraw/zinc/35/29/44/178352944.db2.gz UHKBQVSZRYZCSE-VOTSOKGWSA-N 0 0 246.335 2.227 50 0 BEAARN Cc1ccc(C(=O)N2CCCC[C@@H]2C)cn1 ZINC000032903744 178386046 /nfs/dbraw/zinc/38/60/46/178386046.db2.gz XTDNGBXBCQCYLQ-NSHDSACASA-N 0 0 218.300 2.405 50 0 BEAARN Cc1ccc(C(N)=O)cc1OC[C@H]1CCCO1 ZINC000330561903 178368386 /nfs/dbraw/zinc/36/83/86/178368386.db2.gz IMPHFJRNVSJRBO-LLVKDONJSA-N 0 0 235.283 2.436 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@H](CO)C2)cc1C ZINC000019780973 178390616 /nfs/dbraw/zinc/39/06/16/178390616.db2.gz KONADCAUEJXDNU-ZDUSSCGKSA-N 0 0 247.338 2.148 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@H]2CF)o1 ZINC000294007515 178390663 /nfs/dbraw/zinc/39/06/63/178390663.db2.gz IJCQPFHRKNEVFH-VIFPVBQESA-N 0 0 211.236 2.162 50 0 BEAARN Cc1ccc(C(=O)N2CCO[C@@H](C)C2)cc1C ZINC000012976609 178393903 /nfs/dbraw/zinc/39/39/03/178393903.db2.gz KRCMZCBXJYFAHQ-LBPRGKRZSA-N 0 0 233.311 2.164 50 0 BEAARN Cc1ccc(C(=O)NCCc2ccncc2)cc1 ZINC000001049568 178409713 /nfs/dbraw/zinc/40/97/13/178409713.db2.gz IXKIWQWSMGNQBA-UHFFFAOYSA-N 0 0 240.306 2.363 50 0 biogenic BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000000092345 342673960 /nfs/dbraw/zinc/67/39/60/342673960.db2.gz QGHQDRDWQIHGKZ-QMMMGPOBSA-N 0 0 234.082 2.468 50 0 BEAARN Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000000123056 342675723 /nfs/dbraw/zinc/67/57/23/342675723.db2.gz NIOQXFRLZIIVCT-UHFFFAOYSA-N 0 0 210.240 2.003 50 0 BEAARN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)C1 ZINC000000129424 342676003 /nfs/dbraw/zinc/67/60/03/342676003.db2.gz IKKQZBJITJRAMN-UHFFFAOYSA-N 0 0 245.278 2.179 50 0 BEAARN O=C1C=CC(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000000130757 342676501 /nfs/dbraw/zinc/67/65/01/342676501.db2.gz RFSCHBMMSVGJAY-UHFFFAOYSA-N 0 0 241.168 2.135 50 0 BEAARN COC(=O)c1sccc1-n1cccc1 ZINC000000140703 342676718 /nfs/dbraw/zinc/67/67/18/342676718.db2.gz FYNQCKPHPLFYDN-UHFFFAOYSA-N 0 0 207.254 2.325 50 0 BEAARN CC(C)(C)NC(=O)NCCc1ccccc1 ZINC000000137009 342676783 /nfs/dbraw/zinc/67/67/83/342676783.db2.gz DVFAACATNWSQPT-UHFFFAOYSA-N 0 0 220.316 2.327 50 0 BEAARN Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000000152891 342677340 /nfs/dbraw/zinc/67/73/40/342677340.db2.gz PPJVOAZQMCAIIU-UHFFFAOYSA-N 0 0 224.691 2.062 50 0 BEAARN Cc1cnn2c1ncc1c2-c2ccccc2C1=O ZINC000000156260 342678141 /nfs/dbraw/zinc/67/81/41/342678141.db2.gz SOSMZXSFZMVTHB-UHFFFAOYSA-N 0 0 235.246 2.249 50 0 BEAARN CC(C)(C)NC(=O)NCc1ccccc1 ZINC000000161017 342678287 /nfs/dbraw/zinc/67/82/87/342678287.db2.gz UCRJESGWJZLKCX-UHFFFAOYSA-N 0 0 206.289 2.284 50 0 BEAARN CC(=O)Nc1ccccc1Br ZINC000000173186 342679116 /nfs/dbraw/zinc/67/91/16/342679116.db2.gz VOBKUOHHOWQHFZ-UHFFFAOYSA-N 0 0 214.062 2.408 50 0 BEAARN CN1CCC(c2ccc(Cl)s2)=N1 ZINC000000172661 342679291 /nfs/dbraw/zinc/67/92/91/342679291.db2.gz SWNOCBCLBGUHIS-UHFFFAOYSA-N 0 0 200.694 2.441 50 0 BEAARN O=C(c1cccs1)n1nnc2ccccc21 ZINC000000190070 342679649 /nfs/dbraw/zinc/67/96/49/342679649.db2.gz NPHXTBJFXYNMCF-UHFFFAOYSA-N 0 0 229.264 2.181 50 0 BEAARN Nc1c(Cl)c(Cl)c(N)c2nccnc12 ZINC000000189796 342679854 /nfs/dbraw/zinc/67/98/54/342679854.db2.gz PZJOIFWSNRKGIJ-UHFFFAOYSA-N 0 0 229.070 2.101 50 0 BEAARN COC(=O)c1sc2cccc(F)c2c1N ZINC000000216968 342680416 /nfs/dbraw/zinc/68/04/16/342680416.db2.gz WOWVQQVKSSAEDP-UHFFFAOYSA-N 0 0 225.244 2.409 50 0 BEAARN CCCc1ncc([C@H](O)c2ccccc2)n1C ZINC000000228191 342680706 /nfs/dbraw/zinc/68/07/06/342680706.db2.gz UMKXWQOTKYAUFE-CQSZACIVSA-N 0 0 230.311 2.454 50 0 BEAARN Nc1ccc(-c2nc3ccccc3[nH]2)c(N)c1 ZINC000000236875 342680893 /nfs/dbraw/zinc/68/08/93/342680893.db2.gz NLTLXRBNQJUEGU-UHFFFAOYSA-N 0 0 224.267 2.394 50 0 BEAARN CC[P@](=O)(c1ccccc1)C(C)(C)O ZINC000000288993 342682429 /nfs/dbraw/zinc/68/24/29/342682429.db2.gz FLJRJXXROFBZNS-AWEZNQCLSA-N 0 0 212.229 2.423 50 0 BEAARN Cc1cc(C)nc(NC(=O)/C=C/c2ccco2)n1 ZINC000000310102 342682830 /nfs/dbraw/zinc/68/28/30/342682830.db2.gz CAJITGFONOSGLR-AATRIKPKSA-N 0 0 243.266 2.338 50 0 BEAARN Nc1cc(Oc2ccc(O)c(N)c2)ccc1O ZINC000000306613 342682861 /nfs/dbraw/zinc/68/28/61/342682861.db2.gz UTYHQSKRFPHMQQ-UHFFFAOYSA-N 0 0 232.239 2.055 50 0 BEAARN CSc1ccccc1C(=O)NC1CC1 ZINC000000314538 342683102 /nfs/dbraw/zinc/68/31/02/342683102.db2.gz PAPSWNMNJRXLFU-UHFFFAOYSA-N 0 0 207.298 2.301 50 0 BEAARN CC1(C)Cc2c(sc3ncnc(N)c23)CO1 ZINC000000319417 342683317 /nfs/dbraw/zinc/68/33/17/342683317.db2.gz IPQMQCWBHBHOLZ-UHFFFAOYSA-N 0 0 235.312 2.125 50 0 BEAARN CC1(C)NC(=O)N(c2ccc(Cl)cc2)N1 ZINC000000337340 342683913 /nfs/dbraw/zinc/68/39/13/342683913.db2.gz ZQAJNJUOCBBHEO-UHFFFAOYSA-N 0 0 225.679 2.110 50 0 BEAARN CSc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000000336110 342683918 /nfs/dbraw/zinc/68/39/18/342683918.db2.gz WASUGDYUCNGHEW-UHFFFAOYSA-N 0 0 232.736 2.374 50 0 BEAARN O=C(CNC(=O)c1cccs1)c1ccccc1 ZINC000000362356 342684935 /nfs/dbraw/zinc/68/49/35/342684935.db2.gz XFLBAVJUSKEXKB-UHFFFAOYSA-N 0 0 245.303 2.361 50 0 BEAARN CNC(=O)c1ccc(Cl)cc1Cl ZINC000000370277 342685077 /nfs/dbraw/zinc/68/50/77/342685077.db2.gz LHGOQNXBLLXSIZ-UHFFFAOYSA-N 0 0 204.056 2.353 50 0 BEAARN Cc1cc(C)nc(SCC(=O)C2CC2)n1 ZINC000000377341 342685381 /nfs/dbraw/zinc/68/53/81/342685381.db2.gz RBETWEFFJPQBFE-UHFFFAOYSA-N 0 0 222.313 2.165 50 0 BEAARN Cc1nnc2sc(-c3cccc(C)c3)nn12 ZINC000000385101 342685587 /nfs/dbraw/zinc/68/55/87/342685587.db2.gz QUMPOVBGLBCEFC-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN Cc1nc(C=O)c(Br)s1 ZINC000000383862 342685661 /nfs/dbraw/zinc/68/56/61/342685661.db2.gz OUQBLRHOOXUPAB-UHFFFAOYSA-N 0 0 206.064 2.027 50 0 BEAARN O=C(OCc1ccccc1)[C@H](O)c1ccccc1 ZINC000000396186 342686219 /nfs/dbraw/zinc/68/62/19/342686219.db2.gz JFKWZVQEMSKSBU-CQSZACIVSA-N 0 0 242.274 2.463 50 0 in-vitro BEAARN Cc1ccc(NC(=O)N2CCOCC2)cc1C ZINC000000397157 342686282 /nfs/dbraw/zinc/68/62/82/342686282.db2.gz VKTVWKWTTUYNTF-UHFFFAOYSA-N 0 0 234.299 2.168 50 0 BEAARN Nc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000000396663 342686378 /nfs/dbraw/zinc/68/63/78/342686378.db2.gz RNDWVSUBNRMXMN-UHFFFAOYSA-N 0 0 233.292 2.102 50 0 BEAARN CCOc1cc(CO)cc(OCC)c1OCC ZINC000000403430 342686740 /nfs/dbraw/zinc/68/67/40/342686740.db2.gz BDLRHPZTSRLNOW-UHFFFAOYSA-N 0 0 240.299 2.375 50 0 BEAARN Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000000408005 342687028 /nfs/dbraw/zinc/68/70/28/342687028.db2.gz KGFXBBKICOQXTC-UHFFFAOYSA-N 0 0 248.307 2.070 50 0 BEAARN CCN(CC)C(=O)c1cc(F)ccc1F ZINC000000405259 342687041 /nfs/dbraw/zinc/68/70/41/342687041.db2.gz JEEJMEMWBHLCKZ-UHFFFAOYSA-N 0 0 213.227 2.447 50 0 BEAARN Cc1cccc(NC(=S)NC2CC2)c1 ZINC000000455050 342687647 /nfs/dbraw/zinc/68/76/47/342687647.db2.gz OHBPTMRJSCLQIB-UHFFFAOYSA-N 0 0 206.314 2.444 50 0 BEAARN Cc1ccc(OCC(=O)N2CCCC2)c(C)c1 ZINC000000444963 342687784 /nfs/dbraw/zinc/68/77/84/342687784.db2.gz VFWYBKQWRGJFMB-UHFFFAOYSA-N 0 0 233.311 2.305 50 0 BEAARN COc1cc(C=O)cc(Cl)c1OC(C)=O ZINC000000463822 342688069 /nfs/dbraw/zinc/68/80/69/342688069.db2.gz GYUHZYYDMKQBME-UHFFFAOYSA-N 0 0 228.631 2.086 50 0 BEAARN CCCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000000458352 342688103 /nfs/dbraw/zinc/68/81/03/342688103.db2.gz CNLIPAVQJGJWQC-UHFFFAOYSA-N 0 0 223.272 2.442 50 0 BEAARN NN1C(=O)c2ccccc2N[C@@H]1[C@H]1CC=CCC1 ZINC000000473042 342688279 /nfs/dbraw/zinc/68/82/79/342688279.db2.gz SYVYDPXKOTYUHC-GWCFXTLKSA-N 0 0 243.310 2.110 50 0 BEAARN NN1C(=O)c2ccccc2N[C@@H]1[C@@H]1CC=CCC1 ZINC000000473040 342688374 /nfs/dbraw/zinc/68/83/74/342688374.db2.gz SYVYDPXKOTYUHC-MFKMUULPSA-N 0 0 243.310 2.110 50 0 BEAARN COC(=O)CSc1nc2ccccc2o1 ZINC000000480096 342688502 /nfs/dbraw/zinc/68/85/02/342688502.db2.gz ZBEDJPDEINGEHM-UHFFFAOYSA-N 0 0 223.253 2.093 50 0 BEAARN Cc1ccc(C)n1NC(=O)c1ccccc1O ZINC000000479722 342688635 /nfs/dbraw/zinc/68/86/35/342688635.db2.gz NBVFQUYAOPQBOU-UHFFFAOYSA-N 0 0 230.267 2.194 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000000029241 342669932 /nfs/dbraw/zinc/66/99/32/342669932.db2.gz DYNWAFQOGZWSSS-SECBINFHSA-N 0 0 207.273 2.224 50 0 biogenic BEAARN Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000000035827 342670652 /nfs/dbraw/zinc/67/06/52/342670652.db2.gz DQRKUAPJKJGTMA-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN CC(C)C(=O)OCc1ccc2c(c1)OCO2 ZINC000000056507 342671825 /nfs/dbraw/zinc/67/18/25/342671825.db2.gz RQULTIASPCVEFO-UHFFFAOYSA-N 0 0 222.240 2.115 50 0 endogenous,in-man BEAARN Nc1c(F)cc(F)c(F)c1Br ZINC000000056691 342671862 /nfs/dbraw/zinc/67/18/62/342671862.db2.gz MRXOTDULAFLMDA-UHFFFAOYSA-N 0 0 225.995 2.449 50 0 BEAARN CCN(CC)C(=S)NC(=O)c1ccccc1 ZINC000000057549 342672137 /nfs/dbraw/zinc/67/21/37/342672137.db2.gz UQXSQVXCEQMCPC-UHFFFAOYSA-N 0 0 236.340 2.043 50 0 BEAARN CN(O)C(=O)Nc1cccc(Cl)c1 ZINC000000494691 342688896 /nfs/dbraw/zinc/68/88/96/342688896.db2.gz UORPJSZMJXVSLI-UHFFFAOYSA-N 0 0 200.625 2.193 50 0 BEAARN CC(C)CCn1c2ccccc2[nH]c1=NN ZINC000000572736 342690409 /nfs/dbraw/zinc/69/04/09/342690409.db2.gz GFCAATRKSZKRJK-UHFFFAOYSA-N 0 0 218.304 2.368 50 0 BEAARN Cc1cccc(-c2n[nH]c(=S)n2C)c1 ZINC000000617056 342691023 /nfs/dbraw/zinc/69/10/23/342691023.db2.gz AGSMLYNSNAEUPT-UHFFFAOYSA-N 0 0 205.286 2.453 50 0 BEAARN CCN(C(=O)[C@H]1CCCO1)c1ccccc1 ZINC000000617265 342691058 /nfs/dbraw/zinc/69/10/58/342691058.db2.gz OLNFELYMHYCLAS-GFCCVEGCSA-N 0 0 219.284 2.219 50 0 BEAARN O=C(CCCc1ccccc1)Nc1nncs1 ZINC000000804729 342693053 /nfs/dbraw/zinc/69/30/53/342693053.db2.gz ZSILOPBPZUKWDC-UHFFFAOYSA-N 0 0 247.323 2.500 50 0 BEAARN C[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000000860053 342693946 /nfs/dbraw/zinc/69/39/46/342693946.db2.gz QJWRRTGGLJRYAZ-GXTWGEPZSA-N 0 0 247.338 2.475 50 0 BEAARN Cc1cc(C)nc(NC(=O)c2cccs2)n1 ZINC000000892668 342694075 /nfs/dbraw/zinc/69/40/75/342694075.db2.gz FGORNEYTMPJOSC-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC[C@]1(C)CC(=O)N(c2ccccc2)C1=O ZINC000001163528 342697935 /nfs/dbraw/zinc/69/79/35/342697935.db2.gz SGHKSYFGHLNVHE-CYBMUJFWSA-N 0 0 217.268 2.366 50 0 BEAARN Nc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000001260959 342698732 /nfs/dbraw/zinc/69/87/32/342698732.db2.gz JMXFPJFOKBVPST-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN O=C(c1c[nH]c2ccccc12)N1CCCC1 ZINC000001399486 342700137 /nfs/dbraw/zinc/70/01/37/342700137.db2.gz RHAGDVZHRHJRRZ-UHFFFAOYSA-N 0 0 214.268 2.404 50 0 BEAARN CC(=O)N1CCC(c2ccc(Cl)cc2)=N1 ZINC000001443651 342701103 /nfs/dbraw/zinc/70/11/03/342701103.db2.gz JZMPMMSEDRXFLV-UHFFFAOYSA-N 0 0 222.675 2.296 50 0 BEAARN Cc1ccc(Nc2ncnc3nc[nH]c32)cc1 ZINC000001470178 342701388 /nfs/dbraw/zinc/70/13/88/342701388.db2.gz AXANSSTWWGNFBL-UHFFFAOYSA-N 0 0 225.255 2.405 50 0 BEAARN Ic1cccs1 ZINC000001587822 342704392 /nfs/dbraw/zinc/70/43/92/342704392.db2.gz ROIMNSWDOJCBFR-UHFFFAOYSA-N 0 0 210.039 2.353 50 0 BEAARN O=C1CSc2ccc(Br)cc2N1 ZINC000001621223 342706363 /nfs/dbraw/zinc/70/63/63/342706363.db2.gz QXMFOFHASVVZIT-UHFFFAOYSA-N 0 0 244.113 2.493 50 0 BEAARN O=c1[nH]c2cc(C(F)(F)F)ccc2o1 ZINC000002019050 342714451 /nfs/dbraw/zinc/71/44/51/342714451.db2.gz DNBWZEBCBIKPNJ-UHFFFAOYSA-N 0 0 203.119 2.140 50 0 BEAARN CCCCC(=O)Nc1nnc(CC)s1 ZINC000002030192 342714958 /nfs/dbraw/zinc/71/49/58/342714958.db2.gz BAYWWYRIOMKGSA-UHFFFAOYSA-N 0 0 213.306 2.229 50 0 BEAARN O=S1(=O)C=C[C@@H](Nc2ccc(Cl)cc2)C1 ZINC000002053436 342715619 /nfs/dbraw/zinc/71/56/19/342715619.db2.gz FOLIKWVLWUMOBL-SNVBAGLBSA-N 0 0 243.715 2.063 50 0 BEAARN CC(C)c1nnc2sc(-c3ccccn3)nn21 ZINC000002196889 342716963 /nfs/dbraw/zinc/71/69/63/342716963.db2.gz GPRXPSFDPGGUEX-UHFFFAOYSA-N 0 0 245.311 2.371 50 0 BEAARN Clc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000002389394 342719864 /nfs/dbraw/zinc/71/98/64/342719864.db2.gz KRNRGRZDMYSIHS-UHFFFAOYSA-N 0 0 215.043 2.174 50 0 BEAARN Cn1c(CO)cnc1SCc1ccccc1 ZINC000004003036 342740589 /nfs/dbraw/zinc/74/05/89/342740589.db2.gz BUBSHKAIMAQDTI-UHFFFAOYSA-N 0 0 234.324 2.205 50 0 BEAARN Nc1n[nH]c2cccc(-c3ccc(N)cc3)c12 ZINC000035324130 342742587 /nfs/dbraw/zinc/74/25/87/342742587.db2.gz KHQLSBOHZQJRPC-UHFFFAOYSA-N 0 0 224.267 2.394 50 0 in-vivo BEAARN O=C1Oc2ccccc2[C@@]2(O)[C@H]3CCCC[C@@H]3[C@H]12 ZINC000004114251 342742882 /nfs/dbraw/zinc/74/28/82/342742882.db2.gz RQWNVDAJWFMNDY-ACGQPVHCSA-N 0 0 244.290 2.229 50 0 BEAARN [NH3+][C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000004202365 342743670 /nfs/dbraw/zinc/74/36/70/342743670.db2.gz BMWOGALGPJNHSP-ZDUSSCGKSA-N 0 0 227.263 2.438 50 0 BEAARN O=C([O-])[C@H]1CC[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000004234471 342744775 /nfs/dbraw/zinc/74/47/75/342744775.db2.gz YTJTWNRDSJORDF-UWVGGRQHSA-N 0 0 225.675 2.075 50 0 BEAARN CCCC(=O)[C@@H](CC1CC1)C(=O)OCC ZINC000004289047 342745996 /nfs/dbraw/zinc/74/59/96/342745996.db2.gz FIQVDAZIWQJRHW-SNVBAGLBSA-N 0 0 212.289 2.335 50 0 BEAARN CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1CO ZINC000004287389 342746016 /nfs/dbraw/zinc/74/60/16/342746016.db2.gz JNQNQSCDMKNYEX-NSHDSACASA-N 0 0 249.310 2.345 50 0 BEAARN CCOc1ccc(-c2cc(CO)on2)cc1 ZINC000004343496 342746983 /nfs/dbraw/zinc/74/69/83/342746983.db2.gz HYPWVAJJDGNLCV-UHFFFAOYSA-N 0 0 219.240 2.233 50 0 BEAARN Clc1cccc(I)n1 ZINC000004352697 342747127 /nfs/dbraw/zinc/74/71/27/342747127.db2.gz LSAOLINSZGYDOV-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN CC(C)c1ccccc1NC(=S)NCCO ZINC000004361683 342747279 /nfs/dbraw/zinc/74/72/79/342747279.db2.gz OYURMPWBQYIMJK-UHFFFAOYSA-N 0 0 238.356 2.089 50 0 BEAARN CC(C)(C)C(=O)Cn1nc(Cl)nc1Cl ZINC000004434424 342747909 /nfs/dbraw/zinc/74/79/09/342747909.db2.gz KOAUJFIJMUDAEJ-UHFFFAOYSA-N 0 0 236.102 2.200 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H](CO)C1CCCCC1 ZINC000002526759 342722749 /nfs/dbraw/zinc/72/27/49/342722749.db2.gz YNBRORWNNGUYQA-NSHDSACASA-N 0 0 243.347 2.452 50 0 BEAARN COc1cc(C=O)ccc1OC(=O)C(C)C ZINC000002534721 342723043 /nfs/dbraw/zinc/72/30/43/342723043.db2.gz BGKAKRUFBSTALK-UHFFFAOYSA-N 0 0 222.240 2.069 50 0 endogenous,in-man BEAARN Nc1nc2ccc(OC(F)F)cc2s1 ZINC000002536946 342723343 /nfs/dbraw/zinc/72/33/43/342723343.db2.gz PUXOOQNLQPZQFB-UHFFFAOYSA-N 0 0 216.212 2.480 50 0 BEAARN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)O ZINC000002539653 342723539 /nfs/dbraw/zinc/72/35/39/342723539.db2.gz UJNOLBSYLSYIBM-IRCOFANPSA-N 0 0 228.332 2.371 50 0 BEAARN CCC(CC)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000057563250 168383829 /nfs/dbraw/zinc/38/38/29/168383829.db2.gz LQMNDCKTHVSBKD-CYBMUJFWSA-N 0 0 233.311 2.295 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1 ZINC000002564779 342724603 /nfs/dbraw/zinc/72/46/03/342724603.db2.gz IBDIOGYTZBKRGI-NSHDSACASA-N 0 0 237.299 2.245 50 0 BEAARN Cc1cc(N)n([C@H](C)c2cccs2)n1 ZINC000004575272 342749446 /nfs/dbraw/zinc/74/94/46/342749446.db2.gz GKGBOYIMUQCWHY-MRVPVSSYSA-N 0 0 207.302 2.445 50 0 BEAARN Nc1nccc(-c2ccc(OCCCF)cc2)n1 ZINC000002597324 342725897 /nfs/dbraw/zinc/72/58/97/342725897.db2.gz OHQHZWHYTQBNCP-UHFFFAOYSA-N 0 0 247.273 2.464 50 0 BEAARN Cc1sc(=NN)[nH]c1-c1ccccc1 ZINC000002585762 342726039 /nfs/dbraw/zinc/72/60/39/342726039.db2.gz UGSXBHGKPPJJGZ-UHFFFAOYSA-N 0 0 205.286 2.404 50 0 BEAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2 ZINC000002732013 342726784 /nfs/dbraw/zinc/72/67/84/342726784.db2.gz TXOWANFTXFFOJK-ZCFIWIBFSA-N 0 0 205.183 2.111 50 0 BEAARN CC[C@@H](C)NC(=S)NCCc1ccccc1 ZINC000002743703 342727011 /nfs/dbraw/zinc/72/70/11/342727011.db2.gz IHTCGZAIFINVGP-LLVKDONJSA-N 0 0 236.384 2.492 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC000003079268 342730355 /nfs/dbraw/zinc/73/03/55/342730355.db2.gz CVWXSKOMZXTDAA-GFCCVEGCSA-N 0 0 218.300 2.486 50 0 BEAARN COC(=O)c1coc(-c2ccccc2)n1 ZINC000003109774 342730486 /nfs/dbraw/zinc/73/04/86/342730486.db2.gz JHITWPKHNTXGOB-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc2ccccc2oc1=O ZINC000003135976 342730809 /nfs/dbraw/zinc/73/08/09/342730809.db2.gz RWKZGPRCOQDPKD-SECBINFHSA-N 0 0 245.278 2.321 50 0 BEAARN O=S1(=O)c2ccccc2Cc2ccccc21 ZINC000003205026 342731724 /nfs/dbraw/zinc/73/17/24/342731724.db2.gz XEIVFUWZYMWLEP-UHFFFAOYSA-N 0 0 230.288 2.424 50 0 BEAARN NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000003306788 342732471 /nfs/dbraw/zinc/73/24/71/342732471.db2.gz ILYWYSLTZOUSID-UHFFFAOYSA-N 0 0 221.203 2.397 50 0 in-vitro BEAARN CN(C)c1ccc(C(F)(F)F)cc1N ZINC000003410447 342733217 /nfs/dbraw/zinc/73/32/17/342733217.db2.gz CTAFZNWWARLWMI-UHFFFAOYSA-N 0 0 204.195 2.354 50 0 BEAARN [NH3+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000003676800 342736367 /nfs/dbraw/zinc/73/63/67/342736367.db2.gz GAQVGSJHXPYMCP-ZETCQYMHSA-N 0 0 220.055 2.078 50 0 BEAARN COc1c(C)cccc1-c1nnc(N)s1 ZINC000003716758 342736894 /nfs/dbraw/zinc/73/68/94/342736894.db2.gz CACIVJURWAYJJX-UHFFFAOYSA-N 0 0 221.285 2.104 50 0 BEAARN COC(=O)[C@@H](OC)c1c(O)ccc2ccccc21 ZINC000003884047 342738856 /nfs/dbraw/zinc/73/88/56/342738856.db2.gz PUNFRYALCFFYAM-ZDUSSCGKSA-N 0 0 246.262 2.406 50 0 BEAARN Cn1ccnc1SCC(=O)Nc1ccccc1 ZINC000003899541 342739312 /nfs/dbraw/zinc/73/93/12/342739312.db2.gz MLJHRAQMSVTPDW-UHFFFAOYSA-N 0 0 247.323 2.151 50 0 BEAARN CCN(CC)C(=O)NCc1ccccc1OC ZINC000004854718 342753358 /nfs/dbraw/zinc/75/33/58/342753358.db2.gz ZONKHISLFAQMBX-UHFFFAOYSA-N 0 0 236.315 2.247 50 0 BEAARN CC(=O)NCCOc1ccc2c(c1)CCCC2 ZINC000004865537 342753663 /nfs/dbraw/zinc/75/36/63/342753663.db2.gz ICSPDUQVVADGPT-UHFFFAOYSA-N 0 0 233.311 2.080 50 0 BEAARN CCSc1nnc([C@H](N)Cc2ccccc2)o1 ZINC000004992557 342756000 /nfs/dbraw/zinc/75/60/00/342756000.db2.gz XFKKBHQXKGVWHM-SNVBAGLBSA-N 0 0 249.339 2.424 50 0 BEAARN O=c1c(Br)c[nH]c2ccccc21 ZINC000005037823 342756806 /nfs/dbraw/zinc/75/68/06/342756806.db2.gz NOJARSKUXYDSJA-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN CCCCc1nc(-c2ccncc2)no1 ZINC000005059219 342757347 /nfs/dbraw/zinc/75/73/47/342757347.db2.gz TYGGQUYYHUBSSV-UHFFFAOYSA-N 0 0 203.245 2.474 50 0 BEAARN CC(C)(C)C1=NO[C@@]2(O)c3ccccc3C(=O)[C@H]12 ZINC000005187155 342759931 /nfs/dbraw/zinc/75/99/31/342759931.db2.gz VTXNKJCYWOJRGL-YGRLFVJLSA-N 0 0 245.278 2.077 50 0 BEAARN COC(=O)[C@@H](C(C)C)N(C)C(=O)OC(C)(C)C ZINC000005457705 342764167 /nfs/dbraw/zinc/76/41/67/342764167.db2.gz JHELVJNRWQYMIA-SECBINFHSA-N 0 0 245.319 2.051 50 0 BEAARN Cc1cnc(C(=O)N[C@H](C)c2ccccc2)cn1 ZINC000003598099 342768780 /nfs/dbraw/zinc/76/87/80/342768780.db2.gz NDWGRECHXGSRPC-LLVKDONJSA-N 0 0 241.294 2.276 50 0 BEAARN CCOc1cc([C@H]2OC[C@H](C)O2)ccc1O ZINC000005863164 342770921 /nfs/dbraw/zinc/77/09/21/342770921.db2.gz IFUIILQWHYHIEK-UFBFGSQYSA-N 0 0 224.256 2.225 50 0 endogenous,in-man BEAARN CCn1cc(OCc2noc3c2CCCC3)cn1 ZINC000170618000 361883918 /nfs/dbraw/zinc/88/39/18/361883918.db2.gz APJQDCSCVGBGRV-UHFFFAOYSA-N 0 0 247.298 2.349 50 0 BEAARN Nc1ccc2[nH]c(-c3cccc(N)c3)nc2c1 ZINC000006101264 342773587 /nfs/dbraw/zinc/77/35/87/342773587.db2.gz QCILMAMLEHOLRX-UHFFFAOYSA-N 0 0 224.267 2.394 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)OCc1nc2ccccc2[nH]1 ZINC000042369214 342773721 /nfs/dbraw/zinc/77/37/21/342773721.db2.gz RJLWBZXNVWPMOW-IUCAKERBSA-N 0 0 230.267 2.262 50 0 BEAARN CC[C@@H](C)NC(=O)c1cccnc1Cl ZINC000006116734 342773836 /nfs/dbraw/zinc/77/38/36/342773836.db2.gz QFLXUEXNFXGGKP-SSDOTTSWSA-N 0 0 212.680 2.263 50 0 BEAARN Nc1n[nH]c(SCCCc2ccccc2)n1 ZINC000006133219 342774009 /nfs/dbraw/zinc/77/40/09/342774009.db2.gz GDHYSCYQEMHTTB-UHFFFAOYSA-N 0 0 234.328 2.112 50 0 BEAARN CCOc1cccc2c1OCC(C(C)=O)=C2 ZINC000039100392 538968371 /nfs/dbraw/zinc/96/83/71/538968371.db2.gz RDIRNUBZJLCGMG-UHFFFAOYSA-N 0 0 218.252 2.450 50 0 BEAARN CCCCCCn1ncc(O)c(Cl)c1=O ZINC000006244197 342775541 /nfs/dbraw/zinc/77/55/41/342775541.db2.gz XBAONJFGAHIUMA-UHFFFAOYSA-N 0 0 230.695 2.183 50 0 BEAARN CC[C@H](NS(C)(=O)=O)c1cccc(Cl)c1 ZINC000040523851 538971860 /nfs/dbraw/zinc/97/18/60/538971860.db2.gz VEWSYCAVTMCBOH-JTQLQIEISA-N 0 0 247.747 2.340 50 0 BEAARN CO[C@@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC000042750861 342780247 /nfs/dbraw/zinc/78/02/47/342780247.db2.gz AAAAVBYIMNPDDT-ZDUSSCGKSA-N 0 0 233.311 2.457 50 0 BEAARN N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000008699556 342802616 /nfs/dbraw/zinc/80/26/16/342802616.db2.gz VOAOYMFECOMDMY-CQSZACIVSA-N 0 0 238.290 2.233 50 0 BEAARN CCOc1ccc(NC(=O)c2ccnn2C)cc1 ZINC000006700227 342781102 /nfs/dbraw/zinc/78/11/02/342781102.db2.gz FIIQKHAPNIKZBM-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN Nc1c(-c2cccs2)nc2ncccn12 ZINC000006740885 342781958 /nfs/dbraw/zinc/78/19/58/342781958.db2.gz ILBJBKAVDGYVEI-UHFFFAOYSA-N 0 0 216.269 2.040 50 0 BEAARN COc1cc(C=O)ccc1OCc1ccccn1 ZINC000008702286 342802795 /nfs/dbraw/zinc/80/27/95/342802795.db2.gz RHPXLDIXJSMPSX-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN Cc1c(Cl)cccc1N1C(=O)CCC1=O ZINC000000398707 342788290 /nfs/dbraw/zinc/78/82/90/342788290.db2.gz HDFCWTUWNMUESF-UHFFFAOYSA-N 0 0 223.659 2.302 50 0 BEAARN c1[nH]nc(-c2ccccn2)c1NC1CCOCC1 ZINC000097376876 342792102 /nfs/dbraw/zinc/79/21/02/342792102.db2.gz MFDAOQDRGDCXID-UHFFFAOYSA-N 0 0 244.298 2.063 50 0 BEAARN Cc1ccc(NC(=O)C[C@H](C)n2cncn2)cc1 ZINC000007616319 342792269 /nfs/dbraw/zinc/79/22/69/342792269.db2.gz SUJRSDSERCBKTN-NSHDSACASA-N 0 0 244.298 2.176 50 0 BEAARN Cc1ccc(NC(=O)C[C@@H](C)n2cncn2)cc1 ZINC000007616318 342792363 /nfs/dbraw/zinc/79/23/63/342792363.db2.gz SUJRSDSERCBKTN-LLVKDONJSA-N 0 0 244.298 2.176 50 0 BEAARN CCc1ccc(C(=O)N2CCO[C@H](CC)C2)o1 ZINC000040514071 538971798 /nfs/dbraw/zinc/97/17/98/538971798.db2.gz WXDMACUGZKYBBN-LLVKDONJSA-N 0 0 237.299 2.093 50 0 BEAARN Nc1nc(SCCc2ccccc2)ns1 ZINC000009142756 342808855 /nfs/dbraw/zinc/80/88/55/342808855.db2.gz QDJUZDIWHZEIBN-UHFFFAOYSA-N 0 0 237.353 2.455 50 0 BEAARN CC[C@H](Oc1ccccc1F)C(=O)N(C)C ZINC000009427019 342815396 /nfs/dbraw/zinc/81/53/96/342815396.db2.gz UBCTYBBFPNVAMS-JTQLQIEISA-N 0 0 225.263 2.071 50 0 BEAARN Cc1nnc(-c2ccc(C=O)cc2)s1 ZINC000118785463 342822571 /nfs/dbraw/zinc/82/25/71/342822571.db2.gz USWUGTKXFNKMQE-UHFFFAOYSA-N 0 0 204.254 2.326 50 0 BEAARN C[C@@H](C(=O)NCCc1ccccc1)n1cccc1 ZINC000008904909 342805776 /nfs/dbraw/zinc/80/57/76/342805776.db2.gz RHHZUASBPNMYIN-ZDUSSCGKSA-N 0 0 242.322 2.408 50 0 BEAARN COc1ccc([C@@H]2Cc3n[nH]cc3C(=O)C2)cc1 ZINC000008996590 342806894 /nfs/dbraw/zinc/80/68/94/342806894.db2.gz AFOHREMXXOQWDJ-SNVBAGLBSA-N 0 0 242.278 2.331 50 0 BEAARN CC[C@@H](C)NC(=O)COc1cccc(C)c1 ZINC000010120466 342834310 /nfs/dbraw/zinc/83/43/10/342834310.db2.gz ZZZZMHNLYUSAOT-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN Cc1ccc(C(C)(C)C)c(OCC(N)=O)c1F ZINC000279361977 178448388 /nfs/dbraw/zinc/44/83/88/178448388.db2.gz KLSGTZIPMQCUQL-UHFFFAOYSA-N 0 0 239.290 2.296 50 0 BEAARN CSc1nc(C)c(C)n1C[C@H]1CCCO1 ZINC000044868399 538990159 /nfs/dbraw/zinc/99/01/59/538990159.db2.gz VUQAYAQZQKTDIJ-SNVBAGLBSA-N 0 0 226.345 2.401 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1)c1cnsn1 ZINC000047410381 539002437 /nfs/dbraw/zinc/00/24/37/539002437.db2.gz SSOKNTVPDMVLHN-UHFFFAOYSA-N 0 0 241.222 2.069 50 0 BEAARN Cc1cn(CC(=O)N(C)C)c2ccccc12 ZINC000050559181 539010875 /nfs/dbraw/zinc/01/08/75/539010875.db2.gz PWFGBINBMNMCJK-UHFFFAOYSA-N 0 0 216.284 2.038 50 0 BEAARN CCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000046417614 538994988 /nfs/dbraw/zinc/99/49/88/538994988.db2.gz VQSFQGKJSJXENB-AOOOYVTPSA-N 0 0 237.299 2.091 50 0 BEAARN O=C1CCCN1Cc1noc(C2CCCCC2)n1 ZINC000072329913 398295610 /nfs/dbraw/zinc/29/56/10/398295610.db2.gz ITBJWRQQZWMLBB-UHFFFAOYSA-N 0 0 249.314 2.240 50 0 BEAARN Cn1ccnc1[C@@H](N)c1ccccc1Cl ZINC000011735187 342843019 /nfs/dbraw/zinc/84/30/19/342843019.db2.gz FCOWEDHMZHDPIM-JTQLQIEISA-N 0 0 221.691 2.122 50 0 BEAARN FC(F)n1nnn(-c2ccccc2)c1=S ZINC000004333103 342839712 /nfs/dbraw/zinc/83/97/12/342839712.db2.gz NRTRYGXDBXFXGY-UHFFFAOYSA-N 0 0 228.227 2.193 50 0 BEAARN Nc1ccc(C2=CSC3=NCCCN23)cc1 ZINC000011851242 342843754 /nfs/dbraw/zinc/84/37/54/342843754.db2.gz HKHQYOYARXWQJY-UHFFFAOYSA-N 0 0 231.324 2.376 50 0 BEAARN CC(C)c1cc(C(=O)[O-])nn1-c1cc[nH+]cc1 ZINC000011567086 342841602 /nfs/dbraw/zinc/84/16/02/342841602.db2.gz GHBZCKFXEVHQOO-UHFFFAOYSA-N 0 0 231.255 2.089 50 0 BEAARN CCc1cc(=O)[nH]c(Nc2cc(C)ccc2O)n1 ZINC000011991414 342845758 /nfs/dbraw/zinc/84/57/58/342845758.db2.gz MIQMKMLUUKMUQI-UHFFFAOYSA-N 0 0 245.282 2.090 50 0 BEAARN Cn1c(Cc2cc(F)cc(F)c2)n[nH]c1=S ZINC000012321265 342849080 /nfs/dbraw/zinc/84/90/80/342849080.db2.gz JEARYKOXQVHJLS-UHFFFAOYSA-N 0 0 241.266 2.347 50 0 BEAARN Cc1ccc(NC2=NC(=O)CS2)c(C)c1 ZINC000012341768 342849208 /nfs/dbraw/zinc/84/92/08/342849208.db2.gz LHBYTRMOVMPLOT-UHFFFAOYSA-N 0 0 220.297 2.345 50 0 BEAARN Cc1ccc(Cn2cc(C=O)ccc2=O)cc1 ZINC000012336558 342849284 /nfs/dbraw/zinc/84/92/84/342849284.db2.gz MUUQUPKTRVSYFZ-UHFFFAOYSA-N 0 0 227.263 2.018 50 0 BEAARN CC(C)(C)OC(=O)Nc1ccc(C=O)cn1 ZINC000012359565 342849760 /nfs/dbraw/zinc/84/97/60/342849760.db2.gz WZROBBWIJBBWQP-UHFFFAOYSA-N 0 0 222.244 2.241 50 0 in-vitro BEAARN O=C([O-])[C@@H](c1c[nH]c2ccccc21)[NH+]1CCCC1 ZINC000012389022 342850856 /nfs/dbraw/zinc/85/08/56/342850856.db2.gz ONDDKCJABRYASU-CYBMUJFWSA-N 0 0 244.294 2.389 50 0 BEAARN CCOc1ccccc1C=C1SC(=O)NC1=O ZINC000012407008 342851449 /nfs/dbraw/zinc/85/14/49/342851449.db2.gz SZHWEOSHMVDMCQ-JXMROGBWSA-N 0 0 249.291 2.409 50 0 BEAARN CCCc1csc(N)c1C(=O)OCC ZINC000012404889 342851581 /nfs/dbraw/zinc/85/15/81/342851581.db2.gz RADWAKUXJICUBH-UHFFFAOYSA-N 0 0 213.302 2.460 50 0 BEAARN C[C@]12CC3CC(NC=O)(C1)C[C@@](C)(C3)C2 ZINC000012410101 342851697 /nfs/dbraw/zinc/85/16/97/342851697.db2.gz NYQWYYMEIBHRSB-UNTZMWQOSA-N 0 0 207.317 2.481 50 0 BEAARN Cn1cnc2ccc(Br)cc21 ZINC000012471780 342852503 /nfs/dbraw/zinc/85/25/03/342852503.db2.gz QDXJAGXUNYFXRG-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Nc1cncc(-c2ccc3c(c2)OCCO3)c1 ZINC000032587260 342853312 /nfs/dbraw/zinc/85/33/12/342853312.db2.gz RSUCHWNMIKDTTE-UHFFFAOYSA-N 0 0 228.251 2.102 50 0 BEAARN Cc1cc(N)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000012526563 342853543 /nfs/dbraw/zinc/85/35/43/342853543.db2.gz KSEPDTCKJCJYGY-UHFFFAOYSA-N 0 0 242.204 2.177 50 0 BEAARN CCCCO[C@H]1CO[C@H](OCCCC)CO1 ZINC000012559380 342854409 /nfs/dbraw/zinc/85/44/09/342854409.db2.gz PPRPWYOHXJHJRT-TXEJJXNPSA-N 0 0 232.320 2.319 50 0 BEAARN CCc1ccc(C(=O)NCc2ccncc2)o1 ZINC000032824504 342878540 /nfs/dbraw/zinc/87/85/40/342878540.db2.gz LPPSWEXMQMZZIG-UHFFFAOYSA-N 0 0 230.267 2.167 50 0 BEAARN Nc1ccccc1C1N=NC(=S)S1 ZINC000013133601 342864039 /nfs/dbraw/zinc/86/40/39/342864039.db2.gz GQGQUZHRDAYNOF-UHFFFAOYSA-N 0 0 209.299 2.076 50 0 BEAARN Nc1ccc(N2CCCCCC2)c2nonc21 ZINC000013331341 342865764 /nfs/dbraw/zinc/86/57/64/342865764.db2.gz JQSXJDAYPWALCR-UHFFFAOYSA-N 0 0 232.287 2.185 50 0 BEAARN Cc1scc(C(=O)NC[C@H]2CCCO2)c1C ZINC000013331167 342865775 /nfs/dbraw/zinc/86/57/75/342865775.db2.gz XITBJDWPQCGCQE-SNVBAGLBSA-N 0 0 239.340 2.274 50 0 BEAARN Cc1nc(C)c(C(=O)Nc2ccncc2)s1 ZINC000032726403 342870063 /nfs/dbraw/zinc/87/00/63/342870063.db2.gz WCZGOICNCYKACA-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1nc(COc2ccc(C(N)=O)cc2)cs1 ZINC000032747839 342872761 /nfs/dbraw/zinc/87/27/61/342872761.db2.gz CMNIGJARXQIVDC-UHFFFAOYSA-N 0 0 248.307 2.129 50 0 BEAARN C[n+]1cccc2c(Br)ccc([O-])c21 ZINC000004480651 342874200 /nfs/dbraw/zinc/87/42/00/342874200.db2.gz GAACBYFZEAMRHM-UHFFFAOYSA-O 0 0 239.092 2.132 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC000032786938 342874968 /nfs/dbraw/zinc/87/49/68/342874968.db2.gz JVLPXJACSMQBGV-MRVPVSSYSA-N 0 0 233.315 2.158 50 0 BEAARN CSc1ccc(-c2ccccn2)nn1 ZINC000004357977 342856653 /nfs/dbraw/zinc/85/66/53/342856653.db2.gz PAZLNYVUSLTUOU-UHFFFAOYSA-N 0 0 203.270 2.261 50 0 BEAARN COc1cc(CO)cc(Cl)c1OC(F)F ZINC000012804019 342858602 /nfs/dbraw/zinc/85/86/02/342858602.db2.gz QAZKUAVDXVJNGY-UHFFFAOYSA-N 0 0 238.617 2.442 50 0 BEAARN Nc1cc(C(F)(F)F)cc2c1SCC(=O)N2 ZINC000004371907 342858633 /nfs/dbraw/zinc/85/86/33/342858633.db2.gz NNMYNJLCKOZMSP-UHFFFAOYSA-N 0 0 248.229 2.332 50 0 BEAARN Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000012851160 342859031 /nfs/dbraw/zinc/85/90/31/342859031.db2.gz OXTLOGJRHJQASL-NSHDSACASA-N 0 0 234.299 2.248 50 0 BEAARN Cc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 ZINC000012851155 342859108 /nfs/dbraw/zinc/85/91/08/342859108.db2.gz OXTLOGJRHJQASL-LLVKDONJSA-N 0 0 234.299 2.248 50 0 BEAARN CC(C)(C)CC(=O)Nc1ncccc1O ZINC000096404466 398317480 /nfs/dbraw/zinc/31/74/80/398317480.db2.gz PXVVTRDWHHUSDY-UHFFFAOYSA-N 0 0 208.261 2.162 50 0 BEAARN COC(=O)c1sc(Cl)nc1Cl ZINC000015444350 342896527 /nfs/dbraw/zinc/89/65/27/342896527.db2.gz OLMLGJKUAHTNRN-UHFFFAOYSA-N 0 0 212.057 2.237 50 0 BEAARN Cn1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cn1 ZINC000032819933 342879197 /nfs/dbraw/zinc/87/91/97/342879197.db2.gz WKULTAVBWOBWGL-WCQYABFASA-N 0 0 247.342 2.215 50 0 BEAARN CC(C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000022509818 398319046 /nfs/dbraw/zinc/31/90/46/398319046.db2.gz PMNISCRINKEZCN-UHFFFAOYSA-N 0 0 248.326 2.373 50 0 BEAARN COc1ccc(CCNC(=O)C=C(C)C)cc1 ZINC000014589736 342882351 /nfs/dbraw/zinc/88/23/51/342882351.db2.gz CNLSXQXZRHSVPD-UHFFFAOYSA-N 0 0 233.311 2.320 50 0 biogenic,in-vitro BEAARN Nc1cccc(Cl)c1OC[C@H]1CCCO1 ZINC000014629217 342882844 /nfs/dbraw/zinc/88/28/44/342882844.db2.gz LEFOYQWVEPKGCG-MRVPVSSYSA-N 0 0 227.691 2.480 50 0 BEAARN O=C(c1ccc(C2CCCCC2)cc1)C(O)O ZINC000015042564 342891016 /nfs/dbraw/zinc/89/10/16/342891016.db2.gz CTYODVQCRLGLEW-UHFFFAOYSA-N 0 0 234.295 2.228 50 0 BEAARN COC(=O)c1sc2cccc(OC)c2c1N ZINC000015043016 342891085 /nfs/dbraw/zinc/89/10/85/342891085.db2.gz RTQFKIXDQUQACB-UHFFFAOYSA-N 0 0 237.280 2.279 50 0 BEAARN Cc1nnsc1C(=O)NCc1ccc(C)cc1 ZINC000004584526 342908225 /nfs/dbraw/zinc/90/82/25/342908225.db2.gz XEGUTQGMJODUNZ-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000016577835 342912578 /nfs/dbraw/zinc/91/25/78/342912578.db2.gz ZVIGPKJBHRZNDB-UHFFFAOYSA-N 0 0 241.356 2.213 50 0 BEAARN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000016603723 342913294 /nfs/dbraw/zinc/91/32/94/342913294.db2.gz UEJNWZVOWFRQFW-IUCAKERBSA-N 0 0 239.340 2.306 50 0 BEAARN CCCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000016604725 342913374 /nfs/dbraw/zinc/91/33/74/342913374.db2.gz QWTRMNQRFQWXLC-UHFFFAOYSA-N 0 0 246.354 2.027 50 0 BEAARN CC(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1 ZINC000015869253 342902406 /nfs/dbraw/zinc/90/24/06/342902406.db2.gz MMGIRICZXUSOEH-UHFFFAOYSA-N 0 0 216.240 2.207 50 0 BEAARN Nc1nc(CN2CCc3ccccc3C2)cs1 ZINC000017200565 342922086 /nfs/dbraw/zinc/92/20/86/342922086.db2.gz QCSNOZLPWDFADU-UHFFFAOYSA-N 0 0 245.351 2.284 50 0 BEAARN Cn1cc(C(=O)NCc2ccc(Cl)cc2)cn1 ZINC000017324125 342923581 /nfs/dbraw/zinc/92/35/81/342923581.db2.gz LBSYJSKGYMMGBC-UHFFFAOYSA-N 0 0 249.701 2.004 50 0 BEAARN Nc1c[nH]nc1-c1cccc(Br)c1 ZINC000016698734 342914349 /nfs/dbraw/zinc/91/43/49/342914349.db2.gz LSWAJOCDHZIWDU-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN O=c1[nH][nH]c(=O)c2cc(-c3ccccc3)ccc12 ZINC000016768277 342915428 /nfs/dbraw/zinc/91/54/28/342915428.db2.gz TVTNMAQLAFJQOV-UHFFFAOYSA-N 0 0 238.246 2.296 50 0 BEAARN CCCCS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000016971654 342918097 /nfs/dbraw/zinc/91/80/97/342918097.db2.gz PXEQYQVGWPQRRD-GHMZBOCLSA-N 0 0 233.377 2.094 50 0 BEAARN Cc1c[nH]cc1C(=O)NCCc1ccc(F)cc1 ZINC000032926708 342920052 /nfs/dbraw/zinc/92/00/52/342920052.db2.gz VNTFUCQZBNZZLH-UHFFFAOYSA-N 0 0 246.285 2.435 50 0 BEAARN COc1ncccc1-c1ccncc1C ZINC000067654553 398329111 /nfs/dbraw/zinc/32/91/11/398329111.db2.gz NVNMMBPLNOSQOM-UHFFFAOYSA-N 0 0 200.241 2.461 50 0 BEAARN CC(C)(C)c1cc(=O)n2c3ccccc3nc2[nH]1 ZINC000018223012 342935267 /nfs/dbraw/zinc/93/52/67/342935267.db2.gz UEZGTXQKTFAOBN-UHFFFAOYSA-N 0 0 241.294 2.473 50 0 BEAARN C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226444765 398339795 /nfs/dbraw/zinc/33/97/95/398339795.db2.gz RFSIJWITGRWYTL-GXSJLCMTSA-N 0 0 237.274 2.293 50 0 BEAARN COC[C@H](C)SCc1nnc(C)n1C1CC1 ZINC000095983967 398345077 /nfs/dbraw/zinc/34/50/77/398345077.db2.gz GLKOUZUPQIGUQL-QMMMGPOBSA-N 0 0 241.360 2.190 50 0 BEAARN Cc1ccc(CN2CCC(=O)CC2)cc1 ZINC000019427685 342948640 /nfs/dbraw/zinc/94/86/40/342948640.db2.gz HCANSJOGHLDHGO-UHFFFAOYSA-N 0 0 203.285 2.160 50 0 BEAARN O=C(c1cccc(Cl)c1)N1CCC(=O)CC1 ZINC000019504357 342950129 /nfs/dbraw/zinc/95/01/29/342950129.db2.gz FVKASFKQQYXBBV-UHFFFAOYSA-N 0 0 237.686 2.145 50 0 BEAARN CCOc1ccc2nc(NC(N)=O)sc2c1 ZINC000019393836 342947482 /nfs/dbraw/zinc/94/74/82/342947482.db2.gz IFDKYGFRLNFSIX-UHFFFAOYSA-N 0 0 237.284 2.186 50 0 BEAARN CC(C)c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000012383007 346897955 /nfs/dbraw/zinc/89/79/55/346897955.db2.gz NERBYRQVKRXBIZ-VIFPVBQESA-N 0 0 207.273 2.063 50 0 BEAARN CC(=O)CC(=O)Nc1ccc(C)c(F)c1 ZINC000019410256 342947874 /nfs/dbraw/zinc/94/78/74/342947874.db2.gz IVTGLADPDUNMET-UHFFFAOYSA-N 0 0 209.220 2.052 50 0 BEAARN CN(CCc1ccccn1)C(=O)c1cccs1 ZINC000005689026 346905838 /nfs/dbraw/zinc/90/58/38/346905838.db2.gz PWCZXYKHFJBDRT-UHFFFAOYSA-N 0 0 246.335 2.458 50 0 BEAARN CCc1cc(N)c(O)c(Br)c1 ZINC000020134798 342971095 /nfs/dbraw/zinc/97/10/95/342971095.db2.gz VXURGKCBXFFWIG-UHFFFAOYSA-N 0 0 216.078 2.299 50 0 BEAARN Nc1cc(NC(=O)[C@@H]2CCCO2)ccc1Cl ZINC000020157158 342972899 /nfs/dbraw/zinc/97/28/99/342972899.db2.gz JQKCJILTKBDZSH-JTQLQIEISA-N 0 0 240.690 2.040 50 0 BEAARN Nc1ccc(NC(=O)C2CC2)c(Cl)c1 ZINC000020157139 342973007 /nfs/dbraw/zinc/97/30/07/342973007.db2.gz FVRSZVBRTBGQDJ-UHFFFAOYSA-N 0 0 210.664 2.271 50 0 BEAARN CO[C@@H]1C(C)=C(C)C(=O)N1C1CCCCC1 ZINC000020169508 342973802 /nfs/dbraw/zinc/97/38/02/342973802.db2.gz CEEBMSBLQYSBES-CYBMUJFWSA-N 0 0 223.316 2.470 50 0 BEAARN Cc1cc(C(=O)NCc2ccco2)ccc1N ZINC000020220634 342977695 /nfs/dbraw/zinc/97/76/95/342977695.db2.gz BXHHCPQDEJYEMQ-UHFFFAOYSA-N 0 0 230.267 2.100 50 0 BEAARN COC(=O)CCCC(=O)c1cccs1 ZINC000019941865 342964015 /nfs/dbraw/zinc/96/40/15/342964015.db2.gz RVSQTFYOFNOGEQ-UHFFFAOYSA-N 0 0 212.270 2.274 50 0 BEAARN CC(C)c1noc(-c2ccc(N)cc2)n1 ZINC000019988372 342966071 /nfs/dbraw/zinc/96/60/71/342966071.db2.gz PFZLIKCCNILMDK-UHFFFAOYSA-N 0 0 203.245 2.442 50 0 BEAARN O=C(CCn1cccn1)Nc1cccc(F)c1 ZINC000020602909 342992131 /nfs/dbraw/zinc/99/21/31/342992131.db2.gz GLUCENXRPXJSGE-UHFFFAOYSA-N 0 0 233.246 2.051 50 0 BEAARN COc1ccc(OCc2ccncc2)c(C=O)c1 ZINC000020284831 342980619 /nfs/dbraw/zinc/98/06/19/342980619.db2.gz KNIZLIXYAFIKLJ-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN O=C([O-])[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000020357911 342983580 /nfs/dbraw/zinc/98/35/80/342983580.db2.gz CSUXSPUXCRBQIF-JTQLQIEISA-N 0 0 239.702 2.247 50 0 BEAARN O=C([O-])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000020357910 342983596 /nfs/dbraw/zinc/98/35/96/342983596.db2.gz CSUXSPUXCRBQIF-SNVBAGLBSA-N 0 0 239.702 2.247 50 0 BEAARN CN(C)c1ccc(NC(=O)c2cccs2)cn1 ZINC000020372017 342984171 /nfs/dbraw/zinc/98/41/71/342984171.db2.gz WYXWMESBIXKSQB-UHFFFAOYSA-N 0 0 247.323 2.461 50 0 BEAARN Nc1ccccc1NCCc1ccccn1 ZINC000020381338 342984445 /nfs/dbraw/zinc/98/44/45/342984445.db2.gz NIDHVLJWXQSUDI-UHFFFAOYSA-N 0 0 213.284 2.318 50 0 BEAARN CC[C@@H](Oc1cccc(C)c1C)C(=O)NC ZINC000020460837 342985667 /nfs/dbraw/zinc/98/56/67/342985667.db2.gz VBUAZSIMZJCEHF-LLVKDONJSA-N 0 0 221.300 2.207 50 0 BEAARN O=C1NC2(CCCCC2)N=C1c1cccs1 ZINC000021147496 343004475 /nfs/dbraw/zinc/00/44/75/343004475.db2.gz INLNKWKKHLPLOS-UHFFFAOYSA-N 0 0 234.324 2.327 50 0 BEAARN CC(C)(C)SCC(=O)Nc1nncs1 ZINC000021216265 343007408 /nfs/dbraw/zinc/00/74/08/343007408.db2.gz JZKIUZAIVORWNX-UHFFFAOYSA-N 0 0 231.346 2.008 50 0 BEAARN Cc1ccsc1C(=O)Nc1nncs1 ZINC000021213929 343007445 /nfs/dbraw/zinc/00/74/45/343007445.db2.gz FFWIFPWNCOEMDZ-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN O=C(CCc1ccsc1)Nc1nncs1 ZINC000021214515 343007592 /nfs/dbraw/zinc/00/75/92/343007592.db2.gz RFNHPFIQQDFMBK-UHFFFAOYSA-N 0 0 239.325 2.171 50 0 BEAARN O=C(O[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000008380928 259338453 /nfs/dbraw/zinc/33/84/53/259338453.db2.gz CIBMJUAZBFVYAB-NWDGAFQWSA-N 0 0 220.268 2.147 50 0 BEAARN CCOc1cc2c(cc1NC(C)=O)O[C@H](C)C2 ZINC000021841114 343023595 /nfs/dbraw/zinc/02/35/95/343023595.db2.gz MASVGFZIPQABDU-MRVPVSSYSA-N 0 0 235.283 2.367 50 0 BEAARN COc1cc(N)ccc1NC(=O)C1CCC1 ZINC000021956700 343030243 /nfs/dbraw/zinc/03/02/43/343030243.db2.gz NCZAZMNYJBDQSB-UHFFFAOYSA-N 0 0 220.272 2.016 50 0 BEAARN Nc1cccc(OCc2cccnc2)c1 ZINC000021968041 343031484 /nfs/dbraw/zinc/03/14/84/343031484.db2.gz OBYWDUCMQAJQHD-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN CC(C)(C)CC(=O)NCc1cn2ccccc2n1 ZINC000022024423 343036524 /nfs/dbraw/zinc/03/65/24/343036524.db2.gz JXCLDSNNCPNVPS-UHFFFAOYSA-N 0 0 245.326 2.387 50 0 BEAARN Cc1ccc2cc(C)c(NCCO)nc2c1 ZINC000005784453 343056197 /nfs/dbraw/zinc/05/61/97/343056197.db2.gz MPHCLZUQILBADN-UHFFFAOYSA-N 0 0 216.284 2.256 50 0 BEAARN CC(C)CNC(=O)Nc1nnc(C2CC2)s1 ZINC000043360377 343057831 /nfs/dbraw/zinc/05/78/31/343057831.db2.gz WBPDXBNNKKCTQN-UHFFFAOYSA-N 0 0 240.332 2.193 50 0 BEAARN O=C(OCc1ccccn1)c1ccc(O)cc1 ZINC000023026830 343057849 /nfs/dbraw/zinc/05/78/49/343057849.db2.gz BIRGAGUITFJALB-UHFFFAOYSA-N 0 0 229.235 2.144 50 0 BEAARN Cc1cccc(C(=O)O[C@H]2C[NH+]3CCC2CC3)c1 ZINC000005981580 343063793 /nfs/dbraw/zinc/06/37/93/343063793.db2.gz MSXTUZVYQPGHMP-AWEZNQCLSA-N 0 0 245.322 2.246 50 0 BEAARN CCC[C@H]1NC(=O)N(Cc2ccccc2C)C1=O ZINC000010907802 343064108 /nfs/dbraw/zinc/06/41/08/343064108.db2.gz MRAJSWBBQLZMOU-GFCCVEGCSA-N 0 0 246.310 2.216 50 0 BEAARN CN(C)c1ccc(NC(=O)C[C@@H]2C=CCC2)cn1 ZINC000024115487 343070164 /nfs/dbraw/zinc/07/01/64/343070164.db2.gz DLDJNEVEWNLTQY-LLVKDONJSA-N 0 0 245.326 2.442 50 0 BEAARN CC1(C)CCCN1C(=O)Nc1ccncc1 ZINC000072242447 343092102 /nfs/dbraw/zinc/09/21/02/343092102.db2.gz NZAWSLPYPPXGFG-UHFFFAOYSA-N 0 0 219.288 2.488 50 0 BEAARN Cn1cc(NC(=O)c2ccc3c(c2)CCC3)cn1 ZINC000025306090 343089099 /nfs/dbraw/zinc/08/90/99/343089099.db2.gz YZZZKNUGOJFVBZ-UHFFFAOYSA-N 0 0 241.294 2.161 50 0 BEAARN C[C@@H](O)CNC(=O)Nc1cccc2ccccc21 ZINC000011004479 343103398 /nfs/dbraw/zinc/10/33/98/343103398.db2.gz QFZNMLQVZUJASV-SNVBAGLBSA-N 0 0 244.294 2.342 50 0 BEAARN CSc1cccc(-c2nnc(N)o2)c1 ZINC000026423862 343104888 /nfs/dbraw/zinc/10/48/88/343104888.db2.gz UCRUZGIHPNWYGW-UHFFFAOYSA-N 0 0 207.258 2.041 50 0 BEAARN CC(C)c1n[nH]c(=O)c2c1cnn2C(C)(C)C ZINC000026421605 343104938 /nfs/dbraw/zinc/10/49/38/343104938.db2.gz LVDANKIJRLFMIV-UHFFFAOYSA-N 0 0 234.303 2.410 50 0 BEAARN O=C(CCc1ccccc1O)NC1CCCC1 ZINC000026537479 343107031 /nfs/dbraw/zinc/10/70/31/343107031.db2.gz OEVPJBRYWDRGIJ-UHFFFAOYSA-N 0 0 233.311 2.384 50 0 BEAARN Fc1cc(Br)cc2c1OCCO2 ZINC000141466145 343095216 /nfs/dbraw/zinc/09/52/16/343095216.db2.gz RVFFKSCEEAHWKX-UHFFFAOYSA-N 0 0 233.036 2.359 50 0 BEAARN CC[C@H](Oc1ccccc1)C(=O)n1cccn1 ZINC000013324044 362101774 /nfs/dbraw/zinc/10/17/74/362101774.db2.gz IOKOYARAVJOJPZ-LBPRGKRZSA-N 0 0 230.267 2.381 50 0 BEAARN CCOc1ncccc1NC(=O)CC(C)C ZINC000027587545 343122423 /nfs/dbraw/zinc/12/24/23/343122423.db2.gz RMARHYORKCNLTL-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN Cc1cc(C)cc(OCCN2CCOCC2)c1 ZINC000019639197 343139860 /nfs/dbraw/zinc/13/98/60/343139860.db2.gz UCOHUVMMQTZDBB-UHFFFAOYSA-N 0 0 235.327 2.014 50 0 BEAARN CC(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 ZINC000002482964 187241580 /nfs/dbraw/zinc/24/15/80/187241580.db2.gz CIJOGCKBIRFFKN-VIFPVBQESA-N 0 0 216.284 2.235 50 0 biogenic BEAARN NC(=S)NNc1ccc(Cl)cc1Cl ZINC000000168381 187244572 /nfs/dbraw/zinc/24/45/72/187244572.db2.gz MROJTBCYRWJHBQ-UHFFFAOYSA-N 0 0 236.127 2.154 50 0 BEAARN CN(C)c1ccc(C(=O)NCC2CCCC2)cn1 ZINC000029924953 343152536 /nfs/dbraw/zinc/15/25/36/343152536.db2.gz JUNRFSJFHUZZPR-UHFFFAOYSA-N 0 0 247.342 2.068 50 0 BEAARN Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000000069015 187244027 /nfs/dbraw/zinc/24/40/27/187244027.db2.gz QRZNJWNMOFORMV-UHFFFAOYSA-N 0 0 221.300 2.289 50 0 BEAARN CC(=O)C[C@](O)(c1ccccc1)C(F)(F)F ZINC000000185325 187244082 /nfs/dbraw/zinc/24/40/82/187244082.db2.gz VJAXMKZOQDXQPI-JTQLQIEISA-N 0 0 232.201 2.416 50 0 BEAARN CC(=O)Nc1ccccc1NC(=O)c1ccco1 ZINC000000195384 187244151 /nfs/dbraw/zinc/24/41/51/187244151.db2.gz NFFLSIYCAOCJSX-UHFFFAOYSA-N 0 0 244.250 2.490 50 0 BEAARN CCn1c2ccccc2nc1[C@H](C)NC(C)=O ZINC000000200724 187244398 /nfs/dbraw/zinc/24/43/98/187244398.db2.gz QXCMDFKDUFYDJH-VIFPVBQESA-N 0 0 231.299 2.253 50 0 BEAARN c1csc(C2=CSC3=NCCN23)c1 ZINC000000085338 187244400 /nfs/dbraw/zinc/24/44/00/187244400.db2.gz KNMODPUZTJBAQZ-UHFFFAOYSA-N 0 0 208.311 2.465 50 0 BEAARN COc1cc(Br)cc(OC)c1OC ZINC000001841102 187245543 /nfs/dbraw/zinc/24/55/43/187245543.db2.gz XAOOZMATJDXDQJ-UHFFFAOYSA-N 0 0 247.088 2.475 50 0 BEAARN Cc1nn(Cc2cccc(F)c2)c(C)c1N ZINC000002558368 187245872 /nfs/dbraw/zinc/24/58/72/187245872.db2.gz RBFLYXAWVXOQNS-UHFFFAOYSA-N 0 0 219.263 2.270 50 0 BEAARN COc1cc(C)c(Br)cn1 ZINC000002526548 187246349 /nfs/dbraw/zinc/24/63/49/187246349.db2.gz HTBPXLJKMNBQMS-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 in-vitro BEAARN COc1cc(O)c(C(C)=O)cc1Cl ZINC000002529830 187246494 /nfs/dbraw/zinc/24/64/94/187246494.db2.gz NFGYJIJDICKJJL-UHFFFAOYSA-N 0 0 200.621 2.257 50 0 BEAARN CC(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004037249 187247159 /nfs/dbraw/zinc/24/71/59/187247159.db2.gz OGEXHAKTCLLVBX-UHFFFAOYSA-N 0 0 221.256 2.052 50 0 BEAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1N ZINC000000214844 187244710 /nfs/dbraw/zinc/24/47/10/187244710.db2.gz DHAGCICJYVETKE-UHFFFAOYSA-N 0 0 219.263 2.270 50 0 BEAARN CC(=O)NC(=S)Nc1cccc(C)c1C ZINC000001003708 187244894 /nfs/dbraw/zinc/24/48/94/187244894.db2.gz PLGGVDCICRVJAZ-UHFFFAOYSA-N 0 0 222.313 2.136 50 0 BEAARN Cc1cnc2cccc(Br)n12 ZINC000030677915 343193362 /nfs/dbraw/zinc/19/33/62/343193362.db2.gz BLPMWJDXOIVLQZ-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CC(C)CCC(=O)Nc1nnc2ccccn21 ZINC000030711821 343195490 /nfs/dbraw/zinc/19/54/90/343195490.db2.gz IAKSBYVYVYPLCX-UHFFFAOYSA-N 0 0 232.287 2.104 50 0 BEAARN Cc1cc(N)nn1-c1ccc(C(F)(F)F)cn1 ZINC000012398230 187250758 /nfs/dbraw/zinc/25/07/58/187250758.db2.gz TWPCUBGVEVNXBI-UHFFFAOYSA-N 0 0 242.204 2.177 50 0 BEAARN C[C@@H](O)c1ccc(I)cc1 ZINC000012506403 187250819 /nfs/dbraw/zinc/25/08/19/187250819.db2.gz KWUDBZIJCVKUHM-ZCFIWIBFSA-N 0 0 248.063 2.345 50 0 BEAARN CC(C)(C)OC(=O)N[C@H](CCO)C(C)(C)C ZINC000032099043 343228975 /nfs/dbraw/zinc/22/89/75/343228975.db2.gz GWNITSXTIFUCSM-SECBINFHSA-N 0 0 231.336 2.308 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H](CCO)C(C)(C)C ZINC000032099042 343229251 /nfs/dbraw/zinc/22/92/51/343229251.db2.gz GWNITSXTIFUCSM-VIFPVBQESA-N 0 0 231.336 2.308 50 0 BEAARN O=C1CCCc2c(O)c3cccc(O)c3c(O)c21 ZINC000032264719 343230935 /nfs/dbraw/zinc/23/09/35/343230935.db2.gz SXSBKONXYQLUOU-UHFFFAOYSA-N 0 0 244.246 2.476 50 0 BEAARN Nc1ccccc1S(=O)(=O)C1CCCCC1 ZINC000033468771 343254807 /nfs/dbraw/zinc/25/48/07/343254807.db2.gz GZNVBIKSUIFPRX-UHFFFAOYSA-N 0 0 239.340 2.375 50 0 BEAARN CCc1cc(-c2ccccc2N)nc(N(C)C)n1 ZINC000032565155 343238152 /nfs/dbraw/zinc/23/81/52/343238152.db2.gz FBRJIHZAUHCNMV-UHFFFAOYSA-N 0 0 242.326 2.354 50 0 BEAARN Nc1nc2c(s1)CCN(Cc1ccccc1)C2 ZINC000032627869 343238824 /nfs/dbraw/zinc/23/88/24/343238824.db2.gz VISLXHVJSCZPQV-UHFFFAOYSA-N 0 0 245.351 2.284 50 0 BEAARN Nc1ccc(OC(F)F)cc1OC(F)F ZINC000032627846 343238843 /nfs/dbraw/zinc/23/88/43/343238843.db2.gz CESXYKBLHGWWGZ-UHFFFAOYSA-N 0 0 225.141 2.472 50 0 BEAARN Nc1nc(Cc2ccccc2F)cs1 ZINC000032627769 343239039 /nfs/dbraw/zinc/23/90/39/343239039.db2.gz GZPIZKSLZPPUIX-UHFFFAOYSA-N 0 0 208.261 2.455 50 0 BEAARN Cc1cc(CN(C)Cc2cc(C3CC3)on2)on1 ZINC000215473876 136277662 /nfs/dbraw/zinc/27/76/62/136277662.db2.gz FOQICLOSMAYUEH-UHFFFAOYSA-N 0 0 247.298 2.480 50 0 BEAARN COc1ccccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000009457950 187249628 /nfs/dbraw/zinc/24/96/28/187249628.db2.gz LFVZNOLLHASXJZ-DTWKUNHWSA-N 0 0 205.257 2.290 50 0 BEAARN O=C1N[C@@H](c2ccc(Cl)o2)Nc2ncccc21 ZINC000072302524 343241936 /nfs/dbraw/zinc/24/19/36/343241936.db2.gz JKDFJYULBDXWAL-JTQLQIEISA-N 0 0 249.657 2.182 50 0 BEAARN CCN(CC)C(=O)[C@@H]1COc2ccccc2C1 ZINC000032784529 343242718 /nfs/dbraw/zinc/24/27/18/343242718.db2.gz PFODEYDKGWMRBT-LBPRGKRZSA-N 0 0 233.311 2.106 50 0 BEAARN Cc1cc(C)n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000032843920 343243369 /nfs/dbraw/zinc/24/33/69/343243369.db2.gz GTNNAWFIMMUUSZ-QWRGUYRKSA-N 0 0 249.358 2.004 50 0 BEAARN C/C=C/CN(C)CC(=O)Nc1cccc(F)c1 ZINC000009501413 187249976 /nfs/dbraw/zinc/24/99/76/187249976.db2.gz VPDBPLHYAPPQML-ONEGZZNKSA-N 0 0 236.290 2.272 50 0 BEAARN CCOC(=O)C=Cc1cccc(C(C)=O)c1 ZINC000011690332 187250040 /nfs/dbraw/zinc/25/00/40/187250040.db2.gz ZVELQYLDAYQUHI-BQYQJAHWSA-N 0 0 218.252 2.466 50 0 BEAARN CC(C)C[C@H](NS(C)(=O)=O)c1cccs1 ZINC000048368521 343253046 /nfs/dbraw/zinc/25/30/46/343253046.db2.gz WRVPWAXRGSDZKM-VIFPVBQESA-N 0 0 247.385 2.385 50 0 BEAARN CC(C)c1noc(CCC(=O)NC(C)(C)C)n1 ZINC000032967560 343287338 /nfs/dbraw/zinc/28/73/38/343287338.db2.gz LOHIMGMSKUVBBG-UHFFFAOYSA-N 0 0 239.319 2.040 50 0 BEAARN COC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000034172408 343266051 /nfs/dbraw/zinc/26/60/51/343266051.db2.gz WPQDZEYPGYMDAI-ZDUSSCGKSA-N 0 0 204.269 2.454 50 0 BEAARN CC(C)[C@H]1C[C@@](C)(c2csc(N)n2)OC1=O ZINC000000181082 343268958 /nfs/dbraw/zinc/26/89/58/343268958.db2.gz HKFLYRJFMVGMAU-HQJQHLMTSA-N 0 0 240.328 2.160 50 0 biogenic BEAARN CC(C)(C)OC(=O)N1CCC[C@@H](CCCO)C1 ZINC000034434473 343271192 /nfs/dbraw/zinc/27/11/92/343271192.db2.gz DIQOZPGKFVICKN-NSHDSACASA-N 0 0 243.347 2.406 50 0 BEAARN COC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000034451145 343271235 /nfs/dbraw/zinc/27/12/35/343271235.db2.gz OMCDPBZUNDJKEQ-UHFFFAOYSA-N 0 0 203.241 2.192 50 0 BEAARN O=S1(=O)CC[C@H](SCc2ccccc2)C1 ZINC000003683416 343272830 /nfs/dbraw/zinc/27/28/30/343272830.db2.gz IODDXTSNEMMCKV-NSHDSACASA-N 0 0 242.365 2.107 50 0 BEAARN Cc1ccc(OCc2nnco2)cc1C ZINC000004811222 343273533 /nfs/dbraw/zinc/27/35/33/343273533.db2.gz KIDQVMMZFIAODS-UHFFFAOYSA-N 0 0 204.229 2.265 50 0 BEAARN Cn1c2ccccc2nc1[C@H]1CCCO1 ZINC000006753068 343274087 /nfs/dbraw/zinc/27/40/87/343274087.db2.gz ZTYSFFXPOLZYHR-LLVKDONJSA-N 0 0 202.257 2.425 50 0 BEAARN CCC(=O)Nc1ccc(NC(=O)CC)c(O)c1 ZINC000013955211 187251350 /nfs/dbraw/zinc/25/13/50/187251350.db2.gz IGRQAIGQYPDGDO-UHFFFAOYSA-N 0 0 236.271 2.089 50 0 BEAARN COc1c(Br)cccc1C=O ZINC000034623206 343276402 /nfs/dbraw/zinc/27/64/02/343276402.db2.gz SZDPZQAPHXPVCN-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN CC(=O)C1C(C)=NN(c2ccccc2)C1=O ZINC000018122773 187251815 /nfs/dbraw/zinc/25/18/15/187251815.db2.gz LRVOFDVMZZYXLR-UHFFFAOYSA-N 0 0 216.240 2.089 50 0 BEAARN Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000036644195 343321685 /nfs/dbraw/zinc/32/16/85/343321685.db2.gz QFDLEXRNARNIIA-UHFFFAOYSA-N 0 0 213.284 2.469 50 0 BEAARN CCCCc1nc(-c2cccnc2)no1 ZINC000022130598 187254370 /nfs/dbraw/zinc/25/43/70/187254370.db2.gz URFVQBJNLZUFMI-UHFFFAOYSA-N 0 0 203.245 2.474 50 0 BEAARN CC(C)c1ccc([C@]2(C)CC(=O)NC2=O)cc1 ZINC000036929049 343328084 /nfs/dbraw/zinc/32/80/84/343328084.db2.gz QYDFHSLIPPLNND-AWEZNQCLSA-N 0 0 231.295 2.114 50 0 BEAARN Nc1cc(C(=O)Nc2cccnc2)ccc1F ZINC000035279443 343292404 /nfs/dbraw/zinc/29/24/04/343292404.db2.gz JYUDBRJEYKWBOU-UHFFFAOYSA-N 0 0 231.230 2.055 50 0 BEAARN CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035635572 343300789 /nfs/dbraw/zinc/30/07/89/343300789.db2.gz KRSUDBIZXKOKGA-LBPRGKRZSA-N 0 0 233.311 2.043 50 0 BEAARN CC(C)(C)OC(=O)n1cc(Br)cn1 ZINC000035635785 343300832 /nfs/dbraw/zinc/30/08/32/343300832.db2.gz IQEFCRDQVLIADR-UHFFFAOYSA-N 0 0 247.092 2.429 50 0 BEAARN C=CC(=O)Nc1ccc(OCC)c(OC)c1 ZINC000036334707 343315846 /nfs/dbraw/zinc/31/58/46/343315846.db2.gz XPTSRAGAOYQQGC-UHFFFAOYSA-N 0 0 221.256 2.218 50 0 BEAARN COc1cc(Br)cc(C)c1N ZINC000036379455 343316892 /nfs/dbraw/zinc/31/68/92/343316892.db2.gz MTRIPTAVYRAWRG-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000038069115 343368268 /nfs/dbraw/zinc/36/82/68/343368268.db2.gz SETWGKKLYIRCBH-UHFFFAOYSA-N 0 0 228.251 2.102 50 0 BEAARN CC(C)Cn1cc(Br)cn1 ZINC000038074746 343369079 /nfs/dbraw/zinc/36/90/79/343369079.db2.gz HDXYNFLYDLDONH-UHFFFAOYSA-N 0 0 203.083 2.302 50 0 BEAARN CC(C)(C)n1ncc2c1ncnc2Cl ZINC000034974944 187257045 /nfs/dbraw/zinc/25/70/45/187257045.db2.gz BVJFFNHUTCJYSS-UHFFFAOYSA-N 0 0 210.668 2.235 50 0 BEAARN CCOc1cccc(Br)c1N ZINC000038537251 343376611 /nfs/dbraw/zinc/37/66/11/343376611.db2.gz BMRDKLUDXJPIFQ-UHFFFAOYSA-N 0 0 216.078 2.430 50 0 BEAARN Fc1ncccc1-c1ccnc(Cl)n1 ZINC000038580187 343377318 /nfs/dbraw/zinc/37/73/18/343377318.db2.gz AFUWPPDPTXFWAT-UHFFFAOYSA-N 0 0 209.611 2.331 50 0 BEAARN O=C(NC[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000027846378 187255699 /nfs/dbraw/zinc/25/56/99/187255699.db2.gz SDJMVFYCEAMEBU-LBPRGKRZSA-N 0 0 244.338 2.039 50 0 BEAARN Brc1ncnc2sccc21 ZINC000037239141 343340310 /nfs/dbraw/zinc/34/03/10/343340310.db2.gz UNCDNPHSDJPOMS-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN FC[C@H]1C[N@H+](Cc2ccsc2)CCCO1 ZINC000335643616 136303940 /nfs/dbraw/zinc/30/39/40/136303940.db2.gz QVTRJZCPAHZVPL-NSHDSACASA-N 0 0 229.320 2.309 50 0 BEAARN Clc1nc(Cl)c(C2OCCO2)s1 ZINC000034624350 187257203 /nfs/dbraw/zinc/25/72/03/187257203.db2.gz PIXNOZYDMRHICD-UHFFFAOYSA-N 0 0 226.084 2.495 50 0 BEAARN CCS(=O)(=O)N[C@H](C)c1ccc(C)cc1C ZINC000013322677 346935434 /nfs/dbraw/zinc/93/54/34/346935434.db2.gz RADJVHXPDNQOFP-LLVKDONJSA-N 0 0 241.356 2.304 50 0 BEAARN Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H](C)C(C)C ZINC000036398070 187259054 /nfs/dbraw/zinc/25/90/54/187259054.db2.gz BTDPXYAAJABFCB-JARNTUPDSA-N 0 0 249.358 2.211 50 0 BEAARN C[C@H]1C=CC[C@]2(CO)CCCC[C@]12CO ZINC000071785602 187260422 /nfs/dbraw/zinc/26/04/22/187260422.db2.gz JLKVJWCLUADERS-AVGNSLFASA-N 0 0 210.317 2.114 50 0 BEAARN Cc1cnc(NC(=O)C(C)(C)C)c(O)c1 ZINC000039961283 343394109 /nfs/dbraw/zinc/39/41/09/343394109.db2.gz RZYQPAXMKHZVFX-UHFFFAOYSA-N 0 0 208.261 2.080 50 0 BEAARN Cc1cnc(N2C[C@@H](C)O[C@H](C3CC3)C2)s1 ZINC000335691798 136325508 /nfs/dbraw/zinc/32/55/08/136325508.db2.gz GPBXDMUUTBXLMJ-KCJUWKMLSA-N 0 0 238.356 2.455 50 0 BEAARN Cc1ccc(NC(=O)N2CCOC[C@H]2C)cc1 ZINC000040505494 343405491 /nfs/dbraw/zinc/40/54/91/343405491.db2.gz LSLGZGMIMPGLAS-LLVKDONJSA-N 0 0 234.299 2.248 50 0 BEAARN CCOc1cc(N)c(N)c(Br)c1 ZINC000040544970 343406519 /nfs/dbraw/zinc/40/65/19/343406519.db2.gz VVPJYOAHLFFDQG-UHFFFAOYSA-N 0 0 231.093 2.012 50 0 BEAARN O=C(c1cc(F)cc(F)c1)N1CCSCC1 ZINC000040541975 343406882 /nfs/dbraw/zinc/40/68/82/343406882.db2.gz LCAPQEWVAFAUOO-UHFFFAOYSA-N 0 0 243.278 2.154 50 0 BEAARN CN(C)c1nc(Cl)cc(C(C)(C)C)n1 ZINC000040887694 343410493 /nfs/dbraw/zinc/41/04/93/343410493.db2.gz PKDSKQOEXFVPOV-UHFFFAOYSA-N 0 0 213.712 2.494 50 0 BEAARN CC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000041211637 343416797 /nfs/dbraw/zinc/41/67/97/343416797.db2.gz LQVIGFUVEHMBKF-UHFFFAOYSA-N 0 0 203.241 2.119 50 0 BEAARN CC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000042026311 343428185 /nfs/dbraw/zinc/42/81/85/343428185.db2.gz KABXUVJKLGJJGA-ZDUSSCGKSA-N 0 0 203.285 2.240 50 0 BEAARN CC(C)(C)[S@@](=O)Cc1cccc(N)c1 ZINC000042372882 343435647 /nfs/dbraw/zinc/43/56/47/343435647.db2.gz ULALEJRMTPYQIP-CQSZACIVSA-N 0 0 211.330 2.316 50 0 BEAARN O=C1Cc2c(cc(Br)cc2F)N1 ZINC000042689491 343447680 /nfs/dbraw/zinc/44/76/80/343447680.db2.gz UNVVSMMNEZBZDQ-UHFFFAOYSA-N 0 0 230.036 2.083 50 0 BEAARN COC(=O)c1n[nH]c(C(C)C)c1Br ZINC000044242596 343496809 /nfs/dbraw/zinc/49/68/09/343496809.db2.gz AGSRGZZMUJBCMH-UHFFFAOYSA-N 0 0 247.092 2.082 50 0 BEAARN Cc1ccc(CO)c(Br)c1 ZINC000044198604 343495670 /nfs/dbraw/zinc/49/56/70/343495670.db2.gz RAJNCYHWPIQECA-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN CC(C)OCCCNC(=O)Nc1ccccn1 ZINC000043061802 343463180 /nfs/dbraw/zinc/46/31/80/343463180.db2.gz YGTRUGGQHCTVHU-UHFFFAOYSA-N 0 0 237.303 2.018 50 0 BEAARN Fc1cccc(-c2ncnc(Cl)n2)c1 ZINC000043220542 343466357 /nfs/dbraw/zinc/46/63/57/343466357.db2.gz REIFUUDEOYACDL-UHFFFAOYSA-N 0 0 209.611 2.331 50 0 BEAARN CCCc1nnc(-c2ccc(N)cc2)o1 ZINC000044676189 343511439 /nfs/dbraw/zinc/51/14/39/343511439.db2.gz DBNOCQPUKRGLEM-UHFFFAOYSA-N 0 0 203.245 2.271 50 0 BEAARN C[C@@H](C(=O)N(C)Cc1ccsc1)n1cccn1 ZINC000044681061 343512130 /nfs/dbraw/zinc/51/21/30/343512130.db2.gz SWGUNXQXTNRCNG-JTQLQIEISA-N 0 0 249.339 2.164 50 0 BEAARN Fc1c2cc[nH]c2ncc1Br ZINC000044712730 343512726 /nfs/dbraw/zinc/51/27/26/343512726.db2.gz PUJVSTYUTMVCSG-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Cc1cc(=O)[nH]c(Nc2ccc(C)c(F)c2)n1 ZINC000044845916 343517531 /nfs/dbraw/zinc/51/75/31/343517531.db2.gz BSZRRENNKJUEGL-UHFFFAOYSA-N 0 0 233.246 2.269 50 0 BEAARN Nc1nc2ccc3ncccc3c2s1 ZINC000045236336 343526424 /nfs/dbraw/zinc/52/64/24/343526424.db2.gz QFIRBPLXONJDOT-UHFFFAOYSA-N 0 0 201.254 2.427 50 0 BEAARN CC(C)CC(=O)N[C@H](C)Cc1ccco1 ZINC000044443794 343500538 /nfs/dbraw/zinc/50/05/38/343500538.db2.gz WRRJITKUQKNRHY-SNVBAGLBSA-N 0 0 209.289 2.373 50 0 BEAARN CCCc1c(C(=O)N(C)C)[nH]c(C)c1C(C)=O ZINC000048314060 343576658 /nfs/dbraw/zinc/57/66/58/343576658.db2.gz PQPDAVKOOIVIMB-UHFFFAOYSA-N 0 0 236.315 2.180 50 0 BEAARN Cc1ccc(N)cc1C(=O)N1CCCCC1 ZINC000041031648 187264146 /nfs/dbraw/zinc/26/41/46/187264146.db2.gz RGSCUGNXAKSOKW-UHFFFAOYSA-N 0 0 218.300 2.203 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N1CCCCCC1 ZINC000042467300 187265472 /nfs/dbraw/zinc/26/54/72/187265472.db2.gz IYDQKYHYRBBHEO-LBPRGKRZSA-N 0 0 227.348 2.450 50 0 BEAARN CN1C(=O)c2ccccc2N[C@H]1c1ccncc1 ZINC000048376005 343579675 /nfs/dbraw/zinc/57/96/75/343579675.db2.gz LVGIEMHFCKANPN-CYBMUJFWSA-N 0 0 239.278 2.278 50 0 BEAARN COc1cccc(F)c1NC(=O)NC1CC1 ZINC000335863493 344034941 /nfs/dbraw/zinc/03/49/41/344034941.db2.gz VUXORBQPGTYVNV-UHFFFAOYSA-N 0 0 224.235 2.118 50 0 BEAARN CC(C)[C@H](C)NC(=O)CC[C@H]1CCCO1 ZINC000040506179 187264491 /nfs/dbraw/zinc/26/44/91/187264491.db2.gz ACKJFZLEIUITEQ-WDEREUQCSA-N 0 0 213.321 2.106 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000040521065 187264629 /nfs/dbraw/zinc/26/46/29/187264629.db2.gz PLLGXJQJNLAPSY-RYUDHWBXSA-N 0 0 227.348 2.449 50 0 BEAARN Cc1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 ZINC000023185394 178562277 /nfs/dbraw/zinc/56/22/77/178562277.db2.gz IPTUTSLFWASAIY-LBPRGKRZSA-N 0 0 246.310 2.071 50 0 BEAARN CC(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000048927568 187269135 /nfs/dbraw/zinc/26/91/35/187269135.db2.gz QGOUUJIJWBFHQV-UHFFFAOYSA-N 0 0 247.338 2.179 50 0 BEAARN Cc1noc(C)c1COC(=O)c1ccccn1 ZINC000072332247 343695727 /nfs/dbraw/zinc/69/57/27/343695727.db2.gz NQJWEOWBNUEASS-UHFFFAOYSA-N 0 0 232.239 2.043 50 0 BEAARN CC(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C ZINC000000518816 346959730 /nfs/dbraw/zinc/95/97/30/346959730.db2.gz UCQZFLXHBWNQTQ-LDYMZIIASA-N 0 0 204.273 2.147 50 0 biogenic BEAARN O=C(CCC1CCCCC1)N1CCC[C@H](O)C1 ZINC000032720065 343779645 /nfs/dbraw/zinc/77/96/45/343779645.db2.gz QZGGMAZEEBPUSW-ZDUSSCGKSA-N 0 0 239.359 2.330 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)/C=C/c1cscn1 ZINC000064909032 187273573 /nfs/dbraw/zinc/27/35/73/187273573.db2.gz QJCLSKHBCABABR-CYNONHLPSA-N 0 0 236.340 2.413 50 0 BEAARN C[C@@H](CO)[C@@H]1CC[C@@H]2[C@H](O)CCC[C@@]12C ZINC000097975079 344039205 /nfs/dbraw/zinc/03/92/05/344039205.db2.gz FUBPRYXDIHQLGH-YYHQMBLXSA-N 0 0 212.333 2.192 50 0 BEAARN CC(C)([NH3+])c1cn(-c2cccc(Cl)c2)nn1 ZINC000066091316 187274166 /nfs/dbraw/zinc/27/41/66/187274166.db2.gz GRMVDFGXEUYFNJ-UHFFFAOYSA-N 0 0 236.706 2.115 50 0 BEAARN CC(C)CN1CCn2c3ccc(N)cc3nc2C1 ZINC000066442677 343869803 /nfs/dbraw/zinc/86/98/03/343869803.db2.gz HLVZFEBQUPTZHE-UHFFFAOYSA-N 0 0 244.342 2.090 50 0 BEAARN COC(=O)c1cc(C)c(Br)c(O)c1 ZINC000096675790 343875222 /nfs/dbraw/zinc/87/52/22/343875222.db2.gz HNRXGPLCJATDDO-UHFFFAOYSA-N 0 0 245.072 2.250 50 0 BEAARN C[C@H]1CSC(SCCCC(=O)N(C)C)=N1 ZINC000188136809 343891703 /nfs/dbraw/zinc/89/17/03/343891703.db2.gz HOHKTRWTFKTVGJ-QMMMGPOBSA-N 0 0 246.401 2.079 50 0 BEAARN C[C@H](NC(=O)[C@@H]1CCCS1)C(C)(F)F ZINC000334681927 343901485 /nfs/dbraw/zinc/90/14/85/343901485.db2.gz CKKORMFLWUFBNJ-BQBZGAKWSA-N 0 0 223.288 2.042 50 0 BEAARN CCc1csc(N2CCSCC2)n1 ZINC000071921684 343973727 /nfs/dbraw/zinc/97/37/27/343973727.db2.gz LXGXLYATDZCQKF-UHFFFAOYSA-N 0 0 214.359 2.259 50 0 BEAARN CCc1nc(Cn2ccnc2[C@@H](C)CC)no1 ZINC000071614175 343965783 /nfs/dbraw/zinc/96/57/83/343965783.db2.gz GQWQAMCYPGETKB-VIFPVBQESA-N 0 0 234.303 2.390 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@](C)(O)CC1 ZINC000084424170 187285504 /nfs/dbraw/zinc/28/55/04/187285504.db2.gz SQANTGYKAMJIJS-GFCCVEGCSA-N 0 0 229.320 2.158 50 0 BEAARN CCN(C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000084760750 187285598 /nfs/dbraw/zinc/28/55/98/187285598.db2.gz HIKYUUBRPSUYLS-LLVKDONJSA-N 0 0 220.316 2.451 50 0 BEAARN Cc1ccccc1COC(=O)c1cocn1 ZINC000097238645 344103315 /nfs/dbraw/zinc/10/33/15/344103315.db2.gz CWYNRTACIGDANY-UHFFFAOYSA-N 0 0 217.224 2.340 50 0 BEAARN CCNC(=O)N([C@@H](C)c1ccccn1)C1CC1 ZINC000078933022 344104204 /nfs/dbraw/zinc/10/42/04/344104204.db2.gz VWXABLTYOFEGDK-JTQLQIEISA-N 0 0 233.315 2.337 50 0 BEAARN CC(=O)SCC(F)(F)C(F)(F)F ZINC000095347625 187286592 /nfs/dbraw/zinc/28/65/92/187286592.db2.gz ADIIXGLZIWCYND-UHFFFAOYSA-N 0 0 208.151 2.464 50 0 BEAARN CC(C)(CO)c1cncc(Br)c1 ZINC000091692729 187286833 /nfs/dbraw/zinc/28/68/33/187286833.db2.gz LDCHIDRQVQHFCA-UHFFFAOYSA-N 0 0 230.105 2.114 50 0 BEAARN O=C1NC(=O)c2cc(-c3ccccc3)ccc21 ZINC000000055221 344117386 /nfs/dbraw/zinc/11/73/86/344117386.db2.gz FCSWIKQIQMHZKO-UHFFFAOYSA-N 0 0 223.231 2.237 50 0 BEAARN CC(C)n1c2ccccc2nc1-c1nonc1N ZINC000000051756 344100953 /nfs/dbraw/zinc/10/09/53/344100953.db2.gz OOQLAKYHQPZMKP-UHFFFAOYSA-N 0 0 243.270 2.249 50 0 BEAARN CCCCNC(=O)[C@@H](C)N1CCC=C(Cl)C1 ZINC000585141455 344173388 /nfs/dbraw/zinc/17/33/88/344173388.db2.gz WBUKZECVGRBZDW-SNVBAGLBSA-N 0 0 244.766 2.120 50 0 BEAARN CCOCC(=O)N(C)Cc1cccc2cc[nH]c21 ZINC000225527311 344122969 /nfs/dbraw/zinc/12/29/69/344122969.db2.gz DWTVLBCAJATBBF-UHFFFAOYSA-N 0 0 246.310 2.163 50 0 BEAARN Cc1cc(C(=O)NC[C@]2(O)C=CCCC2)c(C)o1 ZINC000585146648 344207704 /nfs/dbraw/zinc/20/77/04/344207704.db2.gz WUTNWKYDXCIASS-AWEZNQCLSA-N 0 0 249.310 2.097 50 0 BEAARN COc1ccc2[nH]c(C(=O)n3ccnc3)cc2c1 ZINC000165925410 344233237 /nfs/dbraw/zinc/23/32/37/344233237.db2.gz KXZOWOWSQYYBQT-UHFFFAOYSA-N 0 0 241.250 2.062 50 0 BEAARN CCc1cnc(N(C)CCc2ccccn2)nc1 ZINC000095386162 344335697 /nfs/dbraw/zinc/33/56/97/344335697.db2.gz NOJXYLUQQAPUKD-UHFFFAOYSA-N 0 0 242.326 2.113 50 0 BEAARN CCCc1ccccc1NC(=O)NCCOC ZINC000044080277 344386611 /nfs/dbraw/zinc/38/66/11/344386611.db2.gz LRCBPXIKQHFWOR-UHFFFAOYSA-N 0 0 236.315 2.407 50 0 BEAARN Cc1noc(CNc2cccc(F)c2C)n1 ZINC000072913261 344386685 /nfs/dbraw/zinc/38/66/85/344386685.db2.gz QFRUYSFKEGJDMI-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC000097756755 344402426 /nfs/dbraw/zinc/40/24/26/344402426.db2.gz ROZBCRMGQFLYFJ-SECBINFHSA-N 0 0 245.319 2.243 50 0 BEAARN CCOc1ccc(N2CCCC2=O)cc1 ZINC000041107739 344419582 /nfs/dbraw/zinc/41/95/82/344419582.db2.gz TWVVNUHXQJVIEC-UHFFFAOYSA-N 0 0 205.257 2.212 50 0 BEAARN Cc1ccc(CNC(=O)C2CCCC2)n1C ZINC000023574596 537846404 /nfs/dbraw/zinc/84/64/04/537846404.db2.gz GMYRPYPONVBXHD-UHFFFAOYSA-N 0 0 220.316 2.140 50 0 BEAARN OCc1cc(-c2ccccc2)nnc1Cl ZINC000072233359 344519069 /nfs/dbraw/zinc/51/90/69/344519069.db2.gz JRGDUAKJLRQAJP-UHFFFAOYSA-N 0 0 220.659 2.289 50 0 BEAARN CCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000014984805 168485227 /nfs/dbraw/zinc/48/52/27/168485227.db2.gz GUPNVEXNNSRLFV-UHFFFAOYSA-N 0 0 243.347 2.406 50 0 BEAARN CCOc1nc(C)nc2c1sc(=S)n2C ZINC000000118012 344552019 /nfs/dbraw/zinc/55/20/19/344552019.db2.gz VFMIGJARKSWIAC-UHFFFAOYSA-N 0 0 241.341 2.466 50 0 BEAARN CC(=O)Nc1ccc2c3c(cccc31)C(=O)N2 ZINC000000127463 344558580 /nfs/dbraw/zinc/55/85/80/344558580.db2.gz SGHUXVQFGBQNJU-UHFFFAOYSA-N 0 0 226.235 2.364 50 0 BEAARN Cc1csc(CC(=O)c2ccc(O)cc2O)n1 ZINC000000138761 344564006 /nfs/dbraw/zinc/56/40/06/344564006.db2.gz WGJPTRBWBYISKU-UHFFFAOYSA-N 0 0 249.291 2.288 50 0 BEAARN CC(C)C(=O)Nc1nnc(-c2ccco2)s1 ZINC000000184262 344606885 /nfs/dbraw/zinc/60/68/85/344606885.db2.gz PJGALMJKAJXGOO-UHFFFAOYSA-N 0 0 237.284 2.393 50 0 BEAARN CC1CCN(c2nc(Cl)ns2)CC1 ZINC000000232822 344652942 /nfs/dbraw/zinc/65/29/42/344652942.db2.gz PVHQDSNOSYRABF-UHFFFAOYSA-N 0 0 217.725 2.428 50 0 BEAARN Cn1cc(Cl)nc1[C@@H](O)c1ccccc1 ZINC000000246385 344659590 /nfs/dbraw/zinc/65/95/90/344659590.db2.gz ISCFHACKIFRPJD-JTQLQIEISA-N 0 0 222.675 2.155 50 0 BEAARN NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000000204347 344637748 /nfs/dbraw/zinc/63/77/48/344637748.db2.gz TUPYAMVYMHXIQE-UHFFFAOYSA-N 0 0 214.268 2.146 50 0 BEAARN CCS(=O)(=O)NCc1c(C)cc(C)cc1C ZINC000049516220 344644619 /nfs/dbraw/zinc/64/46/19/344644619.db2.gz XPQPZCZBQHBQLJ-UHFFFAOYSA-N 0 0 241.356 2.051 50 0 BEAARN CN(C)c1ncnc2c3cc(F)ccc3[nH]c21 ZINC000000117472 344645941 /nfs/dbraw/zinc/64/59/41/344645941.db2.gz RJHDXNPSVUYURN-UHFFFAOYSA-N 0 0 230.246 2.316 50 0 BEAARN CSc1ccccc1NC(=O)c1ccn(C)n1 ZINC000011695582 344725001 /nfs/dbraw/zinc/72/50/01/344725001.db2.gz UUWWEMJWPMZUIU-UHFFFAOYSA-N 0 0 247.323 2.394 50 0 BEAARN COC(=S)c1csc2nnsc12 ZINC000000385902 344740486 /nfs/dbraw/zinc/74/04/86/344740486.db2.gz NJJYSQBRAFCVRU-UHFFFAOYSA-N 0 0 216.312 2.075 50 0 BEAARN Cc1cc(-c2n[nH]c(C(F)(F)F)n2)ccn1 ZINC000426434114 344746986 /nfs/dbraw/zinc/74/69/86/344746986.db2.gz NVQNSVAAMDWISO-UHFFFAOYSA-N 0 0 228.177 2.194 50 0 BEAARN Cn1nnc2c1ccc(Br)c2Cl ZINC000307026507 344712886 /nfs/dbraw/zinc/71/28/86/344712886.db2.gz JZUJCXNUXHWSLF-UHFFFAOYSA-N 0 0 246.495 2.384 50 0 BEAARN Cc1ccc(C2=NC3(CCCC3)NC2=O)cc1 ZINC000004891351 344782993 /nfs/dbraw/zinc/78/29/93/344782993.db2.gz YEANQRNIAVOYSI-UHFFFAOYSA-N 0 0 228.295 2.184 50 0 BEAARN Cc1ccc(NC(=O)CCc2cccnc2)nc1 ZINC000032815051 178725269 /nfs/dbraw/zinc/72/52/69/178725269.db2.gz CBTVQVNPQWUJSI-UHFFFAOYSA-N 0 0 241.294 2.356 50 0 BEAARN O=C1CC(=O)[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000045027560 187292911 /nfs/dbraw/zinc/29/29/11/187292911.db2.gz WULHCTYABJYDEK-QMTHXVAHSA-N 0 0 214.264 2.265 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1F ZINC000069314034 178744437 /nfs/dbraw/zinc/74/44/37/178744437.db2.gz FLHZEKIJOBHISU-SECBINFHSA-N 0 0 223.247 2.109 50 0 BEAARN Cc1ccc(NC(=O)c2cnccn2)c(C)c1 ZINC000000190505 178754531 /nfs/dbraw/zinc/75/45/31/178754531.db2.gz FCKOWXAUFCIYHR-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN Cc1occc1C(=O)Nc1ccccn1 ZINC000005934659 537868799 /nfs/dbraw/zinc/86/87/99/537868799.db2.gz XQLIPEWJDMNVEW-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CCOc1nc(C)ccc1-c1noc(CC)n1 ZINC000000387923 344885343 /nfs/dbraw/zinc/88/53/43/344885343.db2.gz OFAWZDSIKHTRLS-UHFFFAOYSA-N 0 0 233.271 2.401 50 0 BEAARN Cc1nccn1C1CN(C(=O)C2CCCCC2)C1 ZINC000409421326 344968547 /nfs/dbraw/zinc/96/85/47/344968547.db2.gz WJESPLOAXXHDOJ-UHFFFAOYSA-N 0 0 247.342 2.155 50 0 BEAARN O=C(CCC1CCCC1)N1CC(n2ccnc2)C1 ZINC000409421636 344969104 /nfs/dbraw/zinc/96/91/04/344969104.db2.gz WPIQEPKIONXIBW-UHFFFAOYSA-N 0 0 247.342 2.237 50 0 BEAARN CC(=O)N1C[C@]23C=C[C@H](C[C@H]2CC12CCCC2)O3 ZINC000001321577 187299144 /nfs/dbraw/zinc/29/91/44/187299144.db2.gz QLOISECRUXBCQN-GZBFAFLISA-N 0 0 247.338 2.265 50 0 biogenic BEAARN CS(=O)(=O)c1ccc2c(ccnc2Cl)c1 ZINC000238393282 345038224 /nfs/dbraw/zinc/03/82/24/345038224.db2.gz GZQAIWYEJJTYHU-UHFFFAOYSA-N 0 0 241.699 2.292 50 0 BEAARN Brc1[nH]nc2ccsc12 ZINC000000984487 187299286 /nfs/dbraw/zinc/29/92/86/187299286.db2.gz LTBKBMKTEJCCFT-UHFFFAOYSA-N 0 0 203.064 2.387 50 0 BEAARN Cc1nsc(NC(=O)Cc2ccccc2)n1 ZINC000011917608 345069080 /nfs/dbraw/zinc/06/90/80/345069080.db2.gz YJUUTNIGYJVKTF-UHFFFAOYSA-N 0 0 233.296 2.028 50 0 BEAARN CCc1cc(=O)[nH]c(Nc2ccccc2)n1 ZINC000011903418 345061168 /nfs/dbraw/zinc/06/11/68/345061168.db2.gz PYTGHCZNWANXHB-UHFFFAOYSA-N 0 0 215.256 2.076 50 0 BEAARN Cc1ccc(NC(=O)c2csnn2)cc1C ZINC000011914751 345067503 /nfs/dbraw/zinc/06/75/03/345067503.db2.gz XNOSUPGWEAGBIJ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC(C)Cc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000000537178 187300401 /nfs/dbraw/zinc/30/04/01/187300401.db2.gz XGEJDTHTIFGUEZ-LBPRGKRZSA-N 0 0 221.300 2.360 50 0 biogenic BEAARN CC(=O)c1c(C)cccc1NC(=O)[C@@H]1CCCO1 ZINC000157641313 187301089 /nfs/dbraw/zinc/30/10/89/187301089.db2.gz GLUYENRKFKSDDU-LBPRGKRZSA-N 0 0 247.294 2.315 50 0 BEAARN CC(C)(C)c1csc(N2CCOCC2)n1 ZINC000001405930 187301339 /nfs/dbraw/zinc/30/13/39/187301339.db2.gz DACHTFZJIFWGOE-UHFFFAOYSA-N 0 0 226.345 2.277 50 0 BEAARN COC(C[N@@H+]1Cc2ccccc2C[C@@H]1C)OC ZINC000189047158 345259856 /nfs/dbraw/zinc/25/98/56/345259856.db2.gz WMOUYRIFBVZTHV-NSHDSACASA-N 0 0 235.327 2.052 50 0 BEAARN O=c1cnc(-c2cccc(Cl)c2)c[nH]1 ZINC000079573202 537894438 /nfs/dbraw/zinc/89/44/38/537894438.db2.gz GNKNPXDGFFJDQY-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN Cn1cc(CNC(=O)CCC2CCCC2)cn1 ZINC000027929093 345304010 /nfs/dbraw/zinc/30/40/10/345304010.db2.gz FUZIBSKCUPFZEM-UHFFFAOYSA-N 0 0 235.331 2.007 50 0 BEAARN CCc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000001459107 187301901 /nfs/dbraw/zinc/30/19/01/187301901.db2.gz QNCLUJLCVSVDPZ-SECBINFHSA-N 0 0 208.257 2.189 50 0 BEAARN C[C@@H]1OC(=O)N2c3ccc(O)cc3CC[C@H]12 ZINC000148618665 187302307 /nfs/dbraw/zinc/30/23/07/187302307.db2.gz PWTSSEKEPVZNIO-OIBJUYFYSA-N 0 0 219.240 2.052 50 0 BEAARN CCOC(=O)c1cc(Cl)cn2ccnc12 ZINC000260802312 345454211 /nfs/dbraw/zinc/45/42/11/345454211.db2.gz QGSRRXVXYURIGS-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CC(C)[C@@H]1CN(C(=O)c2ccc[nH]2)CCS1 ZINC000170643684 187304030 /nfs/dbraw/zinc/30/40/30/187304030.db2.gz XPLFVOXBEGXORB-NSHDSACASA-N 0 0 238.356 2.228 50 0 BEAARN CC(=O)CCC(=O)OCc1ccc(F)cc1 ZINC000170648351 187304930 /nfs/dbraw/zinc/30/49/30/187304930.db2.gz SUVJHJIOSRDESX-UHFFFAOYSA-N 0 0 224.231 2.238 50 0 BEAARN Cc1cc(N)n(-c2ccc3ccccc3n2)n1 ZINC000011731209 187305167 /nfs/dbraw/zinc/30/51/67/187305167.db2.gz NGERPZUVJAGONQ-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN CSc1ccc(NC(=O)c2ccco2)nn1 ZINC000011739287 187305196 /nfs/dbraw/zinc/30/51/96/187305196.db2.gz AQSNBPLDPMNWHX-UHFFFAOYSA-N 0 0 235.268 2.044 50 0 BEAARN COc1ccc(OCc2ccon2)cc1OC ZINC000174229458 187305536 /nfs/dbraw/zinc/30/55/36/187305536.db2.gz OXTYGEXWOCQOSJ-UHFFFAOYSA-N 0 0 235.239 2.271 50 0 BEAARN COc1ccncc1NC(=O)C(C)(C)C ZINC000065591221 345617724 /nfs/dbraw/zinc/61/77/24/345617724.db2.gz MBJUSDJVEVROER-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN Nc1nc(-c2cc(Cl)nc(Cl)n2)cs1 ZINC000013209492 345668200 /nfs/dbraw/zinc/66/82/00/345668200.db2.gz LRQGEPZLAYVWQQ-UHFFFAOYSA-N 0 0 247.110 2.489 50 0 BEAARN O=C(N[C@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000095423939 345686074 /nfs/dbraw/zinc/68/60/74/345686074.db2.gz WIRQWKYTLLTHIJ-LBPRGKRZSA-N 0 0 247.342 2.484 50 0 BEAARN O=C(N[C@@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000095423938 345686391 /nfs/dbraw/zinc/68/63/91/345686391.db2.gz WIRQWKYTLLTHIJ-GFCCVEGCSA-N 0 0 247.342 2.484 50 0 BEAARN Cc1n[nH]c(C)c1[C@H]1COCCN1CC(C)C ZINC000095980477 345686991 /nfs/dbraw/zinc/68/69/91/345686991.db2.gz ULSZNMOSUKSDAC-GFCCVEGCSA-N 0 0 237.347 2.056 50 0 BEAARN O=C(c1cc2c(cccc2F)[nH]1)N1CCC1 ZINC000073521581 345810377 /nfs/dbraw/zinc/81/03/77/345810377.db2.gz WPHDUOMDQIAIKA-UHFFFAOYSA-N 0 0 218.231 2.153 50 0 BEAARN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)ccc1F ZINC000189446730 345825233 /nfs/dbraw/zinc/82/52/33/345825233.db2.gz SUQRMRFVNRPRNM-IONNQARKSA-N 0 0 223.247 2.429 50 0 BEAARN CC(C)CCNc1ccnn1C[C@H]1CCOC1 ZINC000190800015 345986161 /nfs/dbraw/zinc/98/61/61/345986161.db2.gz RHCZDOYMBSBWOK-GFCCVEGCSA-N 0 0 237.347 2.378 50 0 BEAARN Nc1cccc(C(=O)Nc2nc(C3CC3)c[nH]2)c1 ZINC000685942367 537931597 /nfs/dbraw/zinc/93/15/97/537931597.db2.gz RQOWADQLLDBDFQ-UHFFFAOYSA-N 0 0 242.282 2.122 50 0 BEAARN CCCC(=O)N1CC[C@H](C)C(F)(F)C1 ZINC000335341697 168542258 /nfs/dbraw/zinc/54/22/58/168542258.db2.gz SRQOJKFWDGFSTO-QMMMGPOBSA-N 0 0 205.248 2.290 50 0 BEAARN CN(C)Cc1nc2cc(F)ccc2s1 ZINC000001387840 346035482 /nfs/dbraw/zinc/03/54/82/346035482.db2.gz QTLRRNVACXJGLB-UHFFFAOYSA-N 0 0 210.277 2.497 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C)no1 ZINC000685944722 537934784 /nfs/dbraw/zinc/93/47/84/537934784.db2.gz KFQKLEKLQVBOBR-QRTLGDNMSA-N 0 0 234.299 2.303 50 0 BEAARN C=CC(=O)N(Cc1ccccc1)c1cnn(C)c1 ZINC000685944828 537935060 /nfs/dbraw/zinc/93/50/60/537935060.db2.gz BCUMBGPZZQSVOD-UHFFFAOYSA-N 0 0 241.294 2.139 50 0 BEAARN CN1CCc2cc(-c3ncccn3)ccc21 ZINC000685945146 537935170 /nfs/dbraw/zinc/93/51/70/537935170.db2.gz YFIZQYYMVWADRA-UHFFFAOYSA-N 0 0 211.268 2.136 50 0 BEAARN CN(C)c1nsc(Nc2ccccc2)n1 ZINC000001024004 346173040 /nfs/dbraw/zinc/17/30/40/346173040.db2.gz XYEBQWRRVRLEKI-UHFFFAOYSA-N 0 0 220.301 2.348 50 0 BEAARN CONC(=O)N(Cc1ccccc1)CC(F)F ZINC000166967220 346176669 /nfs/dbraw/zinc/17/66/69/346176669.db2.gz RHVRGXIUDBBABW-UHFFFAOYSA-N 0 0 244.241 2.025 50 0 BEAARN Cc1nn(-c2cccc(C)c2)cc1C=O ZINC000107368415 179000292 /nfs/dbraw/zinc/00/02/92/179000292.db2.gz WKAYVIICLCURSY-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1ccnc(NC(=O)c2ccncc2Cl)n1 ZINC000194664057 187316545 /nfs/dbraw/zinc/31/65/45/187316545.db2.gz LEXJLFOFSZZTSD-UHFFFAOYSA-N 0 0 248.673 2.086 50 0 BEAARN Cc1cccc(C(=O)N2CCCCC2)c1N ZINC000022212088 179006882 /nfs/dbraw/zinc/00/68/82/179006882.db2.gz MOSUXWIVAUGGQG-UHFFFAOYSA-N 0 0 218.300 2.203 50 0 BEAARN Cc1cccc(C(=O)N2CCC(C)CC2)n1 ZINC000032909213 179007595 /nfs/dbraw/zinc/00/75/95/179007595.db2.gz KIHZVVSRNFFDHI-UHFFFAOYSA-N 0 0 218.300 2.262 50 0 BEAARN Cc1nc(N)sc1-c1ccnc(CC2CC2)n1 ZINC000095629770 346251857 /nfs/dbraw/zinc/25/18/57/346251857.db2.gz NBUROYAJOMCTFW-UHFFFAOYSA-N 0 0 246.339 2.443 50 0 BEAARN CSc1nccc(-c2sc(N)nc2C)n1 ZINC000095629769 346252240 /nfs/dbraw/zinc/25/22/40/346252240.db2.gz DODMZKOBDCMMOG-UHFFFAOYSA-N 0 0 238.341 2.213 50 0 BEAARN CCCN(C[C@@H]1CCOC1)C(=O)c1ccco1 ZINC000169749097 347089693 /nfs/dbraw/zinc/08/96/93/347089693.db2.gz PFQNPDOBXPGCKY-NSHDSACASA-N 0 0 237.299 2.168 50 0 BEAARN Cc1cc(NC(=O)c2cccc(C)c2)n[nH]1 ZINC000042653722 179025177 /nfs/dbraw/zinc/02/51/77/179025177.db2.gz DAHBZKVURCLKIG-UHFFFAOYSA-N 0 0 215.256 2.279 50 0 BEAARN Cc1cc(NC(=O)c2cccc(C)c2)n(C)n1 ZINC000048309945 179025364 /nfs/dbraw/zinc/02/53/64/179025364.db2.gz KCXIWASQFDSYIB-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN Cc1cccc(C(=O)NC[C@@H](O)CC(C)C)c1C ZINC000089686369 179017757 /nfs/dbraw/zinc/01/77/57/179017757.db2.gz GVRCJPCAEIKHGM-ZDUSSCGKSA-N 0 0 249.354 2.440 50 0 BEAARN CCCCS[C@H]1C[C@@H](C)NC(=S)N1 ZINC000002588194 346280198 /nfs/dbraw/zinc/28/01/98/346280198.db2.gz BLQUFVLATCMVGG-SFYZADRCSA-N 0 0 218.391 2.102 50 0 BEAARN C/C(C(=O)N(C)C)=C(/C)c1nc2ccccc2[nH]1 ZINC000034434451 346282297 /nfs/dbraw/zinc/28/22/97/346282297.db2.gz ORHBNEMVHZFZLR-MDZDMXLPSA-N 0 0 243.310 2.445 50 0 BEAARN O=C1NC(=O)[C@@H](c2ccccc2)c2ccccc21 ZINC000003133354 346296953 /nfs/dbraw/zinc/29/69/53/346296953.db2.gz KRIJGXCQQCPVIL-ZDUSSCGKSA-N 0 0 237.258 2.089 50 0 BEAARN CCOc1ccccc1Nc1nc(C)cc(=O)[nH]1 ZINC000005625460 346286912 /nfs/dbraw/zinc/28/69/12/346286912.db2.gz PPCRGLQOEQWRGX-UHFFFAOYSA-N 0 0 245.282 2.221 50 0 BEAARN Cc1cccc(C)c1NC(=O)CN1CCCC1 ZINC000000002011 179041050 /nfs/dbraw/zinc/04/10/50/179041050.db2.gz OYCGKECKIVYHTN-UHFFFAOYSA-N 0 0 232.327 2.338 50 0 in-man BEAARN Cc1cccc(C)c1OCC(=O)N1CCCC1 ZINC000006302672 179044527 /nfs/dbraw/zinc/04/45/27/179044527.db2.gz OBNACNWDFHMUGG-UHFFFAOYSA-N 0 0 233.311 2.305 50 0 BEAARN Cc1cc(NC(=O)Cc2cccc(C)c2)no1 ZINC000008382889 179052369 /nfs/dbraw/zinc/05/23/69/179052369.db2.gz RIQVITAEYBPERP-UHFFFAOYSA-N 0 0 230.267 2.473 50 0 BEAARN Cc1cccc(CC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000013320069 179052933 /nfs/dbraw/zinc/05/29/33/179052933.db2.gz MVPYMUWRFGFCQJ-JSGCOSHPSA-N 0 0 247.338 2.221 50 0 BEAARN Cc1cccc(CC(=O)NCCc2ccoc2)c1 ZINC000096096822 179052935 /nfs/dbraw/zinc/05/29/35/179052935.db2.gz ZOPRZNQPVUSLGY-UHFFFAOYSA-N 0 0 243.306 2.489 50 0 BEAARN Cc1cccc(CC(=O)NCCCOC(C)C)c1 ZINC000020443013 179053406 /nfs/dbraw/zinc/05/34/06/179053406.db2.gz YAUJSBFTGNDVGB-UHFFFAOYSA-N 0 0 249.354 2.469 50 0 BEAARN Cc1cccc(CCCn2ccnn2)c1 ZINC000128060886 179056728 /nfs/dbraw/zinc/05/67/28/179056728.db2.gz NMFNCUZLAALNOV-UHFFFAOYSA-N 0 0 201.273 2.219 50 0 BEAARN C[C@@H](CCCCCCC[NH3+])CC(=O)[O-] ZINC000004956334 346385797 /nfs/dbraw/zinc/38/57/97/346385797.db2.gz HDWCZZMTHBIJEC-JTQLQIEISA-N 0 0 201.310 2.397 50 0 BEAARN COC(=O)c1cccn1-c1ccc(F)cc1 ZINC000000110542 346400998 /nfs/dbraw/zinc/40/09/98/346400998.db2.gz VCKNFLYFRCDYHY-UHFFFAOYSA-N 0 0 219.215 2.403 50 0 BEAARN COC(=O)NCCc1ccc(Cl)cc1 ZINC000000036024 346403050 /nfs/dbraw/zinc/40/30/50/346403050.db2.gz CJWUAZRMSHUVAT-UHFFFAOYSA-N 0 0 213.664 2.239 50 0 BEAARN CCCC(=O)Nc1cccc([C@H](C)O)c1 ZINC000000383813 346415815 /nfs/dbraw/zinc/41/58/15/346415815.db2.gz UOEKZINLYXBXOS-VIFPVBQESA-N 0 0 207.273 2.479 50 0 BEAARN CC(C)(C)NC(=O)Nc1cccc(O)c1 ZINC000000401707 346418669 /nfs/dbraw/zinc/41/86/69/346418669.db2.gz WTYLIHCAGPJIEP-UHFFFAOYSA-N 0 0 208.261 2.312 50 0 BEAARN C[P@@](=O)(Oc1ccccc1)N1CCOC1=O ZINC000000448412 346419224 /nfs/dbraw/zinc/41/92/24/346419224.db2.gz FIONHKCBFIDMTO-MRXNPFEDSA-N 0 0 241.183 2.341 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000577343 346419707 /nfs/dbraw/zinc/41/97/07/346419707.db2.gz MQKHLMFKDTUBSK-MRVPVSSYSA-N 0 0 247.747 2.417 50 0 BEAARN Cc1cc(C)c(CNc2nncn2C)cc1C ZINC000162074196 346508034 /nfs/dbraw/zinc/50/80/34/346508034.db2.gz STVMPFCOZSRLEA-UHFFFAOYSA-N 0 0 230.315 2.352 50 0 BEAARN CSc1nnc(-c2ccc(F)cc2)n1C ZINC000002383066 346509049 /nfs/dbraw/zinc/50/90/49/346509049.db2.gz SYFJFFXWGOBEDF-UHFFFAOYSA-N 0 0 223.276 2.343 50 0 BEAARN CCCCCc1ccc(S(N)(=O)=O)cc1 ZINC000002464613 346509876 /nfs/dbraw/zinc/50/98/76/346509876.db2.gz XXGOKBCTMIKJHF-UHFFFAOYSA-N 0 0 227.329 2.067 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000002071407 346493413 /nfs/dbraw/zinc/49/34/13/346493413.db2.gz YWZNYRYEZHIYLS-SNVBAGLBSA-N 0 0 227.329 2.072 50 0 BEAARN Cc1cccc(N)c1C(=O)OCc1cccnc1 ZINC000041099995 179119063 /nfs/dbraw/zinc/11/90/63/179119063.db2.gz FRYREKOIMUDTLL-UHFFFAOYSA-N 0 0 242.278 2.329 50 0 BEAARN Cc1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018154517 179121826 /nfs/dbraw/zinc/12/18/26/179121826.db2.gz NNYVLLMUHSKINZ-BETUJISGSA-N 0 0 241.290 2.451 50 0 BEAARN Cc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000096319520 179122600 /nfs/dbraw/zinc/12/26/00/179122600.db2.gz NNYVLLMUHSKINZ-CHWSQXEVSA-N 0 0 241.290 2.451 50 0 BEAARN CC(C)(C)CCSCC(=O)N1CCOCC1 ZINC000187560633 346588158 /nfs/dbraw/zinc/58/81/58/346588158.db2.gz WNLUHMHSRBZIIH-UHFFFAOYSA-N 0 0 245.388 2.015 50 0 BEAARN Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000003192097 179124759 /nfs/dbraw/zinc/12/47/59/179124759.db2.gz TYEUVUSAPIDKLP-UHFFFAOYSA-N 0 0 203.163 2.496 50 0 BEAARN Cc1cccc(NC(=O)CCn2cccc2)n1 ZINC000021016397 179127226 /nfs/dbraw/zinc/12/72/26/179127226.db2.gz NVHFQDBYDCKYAF-UHFFFAOYSA-N 0 0 229.283 2.220 50 0 BEAARN CC(C)(C)Cc1nnnn1-c1ccccc1 ZINC000005283982 346616894 /nfs/dbraw/zinc/61/68/94/346616894.db2.gz KPQKDYZVEGDDCB-UHFFFAOYSA-N 0 0 216.288 2.251 50 0 BEAARN Cc1cccc(NC(=O)NCCn2ccnc2)c1 ZINC000024367809 179134687 /nfs/dbraw/zinc/13/46/87/179134687.db2.gz PSUMRCIZUARISS-UHFFFAOYSA-N 0 0 244.298 2.013 50 0 BEAARN CC(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 ZINC000585147951 346647888 /nfs/dbraw/zinc/64/78/88/346647888.db2.gz KDGSEVNLIDXORU-CYBMUJFWSA-N 0 0 245.278 2.116 50 0 BEAARN Cc1cccc(NC(=O)[C@@H](C)SCCO)c1 ZINC000033045873 179137628 /nfs/dbraw/zinc/13/76/28/179137628.db2.gz QTTHWHLMAQISMV-SNVBAGLBSA-N 0 0 239.340 2.048 50 0 BEAARN Cc1cc(C)cc(O[C@H](C)C(=O)N(C)C)c1 ZINC000008051255 346669461 /nfs/dbraw/zinc/66/94/61/346669461.db2.gz UNVOSJQEWKMKOK-LLVKDONJSA-N 0 0 221.300 2.159 50 0 BEAARN Cc1cccc(NC(=O)NC2(C)CCOCC2)n1 ZINC000097142718 179133296 /nfs/dbraw/zinc/13/32/96/179133296.db2.gz PSOWDRGMXFWNBC-UHFFFAOYSA-N 0 0 249.314 2.081 50 0 BEAARN Cc1cccc(NC(=O)NC2CCC(O)CC2)c1 ZINC000009255971 179133939 /nfs/dbraw/zinc/13/39/39/179133939.db2.gz RVDWGLLDWBYUMA-UHFFFAOYSA-N 0 0 248.326 2.420 50 0 BEAARN Cc1cccc(NC(=O)[C@H](C)n2cncn2)c1C ZINC000032760980 179140176 /nfs/dbraw/zinc/14/01/76/179140176.db2.gz RTDUJAYKNPPHGW-NSHDSACASA-N 0 0 244.298 2.095 50 0 BEAARN Cc1cccc(NC(=O)[C@H]2CCCO2)c1C ZINC000006317859 179140321 /nfs/dbraw/zinc/14/03/21/179140321.db2.gz HXJFWRVMTMJXCL-GFCCVEGCSA-N 0 0 219.284 2.421 50 0 BEAARN O=Cc1ccc(-c2ccncc2F)cn1 ZINC000725242707 537985347 /nfs/dbraw/zinc/98/53/47/537985347.db2.gz WOQYLGYYGQWXIN-UHFFFAOYSA-N 0 0 202.188 2.095 50 0 BEAARN Cc1nscc1C(=O)Nc1cccc(C)n1 ZINC000072243091 179142749 /nfs/dbraw/zinc/14/27/49/179142749.db2.gz BVBDTIZWAXUXFF-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN COCc1ccc(C(=O)N2CCCC2)cc1 ZINC000008479662 346676738 /nfs/dbraw/zinc/67/67/38/346676738.db2.gz DTVBUGSFPLMEBZ-UHFFFAOYSA-N 0 0 219.284 2.069 50 0 BEAARN Cc1cccc(NCC(=O)NC2CCCCC2)n1 ZINC000097096664 179143919 /nfs/dbraw/zinc/14/39/19/179143919.db2.gz FBMXLEFSMAXRMG-UHFFFAOYSA-N 0 0 247.342 2.251 50 0 BEAARN COc1c(C)oc2c3c(ccc2c1=O)O[C@H](C)C3 ZINC000000481626 346688255 /nfs/dbraw/zinc/68/82/55/346688255.db2.gz OBVDOZGICBHYSV-SSDOTTSWSA-N 0 0 246.262 2.433 50 0 BEAARN Cc1ccc2c(c1)CCN2C(=O)C1(O)CCCC1 ZINC000091103906 537985544 /nfs/dbraw/zinc/98/55/44/537985544.db2.gz XPUNZZGAKIQMFD-UHFFFAOYSA-N 0 0 245.322 2.189 50 0 BEAARN Cc1cccc(N[C@@H]2SC(=O)N(C)C2=O)c1 ZINC000004450740 179154915 /nfs/dbraw/zinc/15/49/15/179154915.db2.gz RGMQJQCTVWKQPF-SECBINFHSA-N 0 0 236.296 2.058 50 0 BEAARN Cc1cccc(OCCO[C@@H]2CCCCO2)n1 ZINC000194720549 179169471 /nfs/dbraw/zinc/16/94/71/179169471.db2.gz PCYFGDKXLAXBFJ-CYBMUJFWSA-N 0 0 237.299 2.312 50 0 BEAARN Cc1cccc(O)c1NC(=O)[C@@H]1CC1(F)F ZINC000295068758 179160501 /nfs/dbraw/zinc/16/05/01/179160501.db2.gz ZVNXUUCZSNELKR-ZETCQYMHSA-N 0 0 227.210 2.294 50 0 BEAARN Cc1cccc(OCC(=O)N2CCCC2)c1C ZINC000020417942 179162841 /nfs/dbraw/zinc/16/28/41/179162841.db2.gz VYYHRVDGXORSIB-UHFFFAOYSA-N 0 0 233.311 2.305 50 0 BEAARN Cc1cccc(Nc2nc(C)cc(=O)[nH]2)c1 ZINC000005626106 179158705 /nfs/dbraw/zinc/15/87/05/179158705.db2.gz LKNISKCYXLSAFQ-UHFFFAOYSA-N 0 0 215.256 2.130 50 0 BEAARN CCc1nnc(CN(C)Cc2ccccc2F)[nH]1 ZINC000185193157 347193565 /nfs/dbraw/zinc/19/35/65/347193565.db2.gz DCKCETRMHRZHCG-UHFFFAOYSA-N 0 0 248.305 2.138 50 0 BEAARN S=C(N1CCCCC1)N1CCCCC1 ZINC000039241925 347187781 /nfs/dbraw/zinc/18/77/81/347187781.db2.gz UOOSIBHMBCFJRY-UHFFFAOYSA-N 0 0 212.362 2.243 50 0 BEAARN CCn1nc(C)cc1C(=O)NCc1ccccc1 ZINC000013699957 362799762 /nfs/dbraw/zinc/79/97/62/362799762.db2.gz VBHSHGDRVSLDHO-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN Cc1cccc2c3c([nH]c21)CCN(C)C3 ZINC000000340388 179225025 /nfs/dbraw/zinc/22/50/25/179225025.db2.gz XSHXIKHZZUQAFC-UHFFFAOYSA-N 0 0 200.285 2.464 50 0 BEAARN CC(C)CNC(=O)Cc1cccc(F)c1 ZINC000019934856 347377873 /nfs/dbraw/zinc/37/78/73/347377873.db2.gz ZAXUJJZOAGHCHO-UHFFFAOYSA-N 0 0 209.264 2.140 50 0 BEAARN Cc1nn(-c2ccccc2C)c(N)c1N=O ZINC000006223418 179242787 /nfs/dbraw/zinc/24/27/87/179242787.db2.gz OVPSSOQQNUUHJU-UHFFFAOYSA-N 0 0 216.244 2.469 50 0 BEAARN Cc1ccccc1CC(=O)NCc1ccncc1 ZINC000006714144 179258940 /nfs/dbraw/zinc/25/89/40/179258940.db2.gz QKEOONBTAUXPCZ-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN Cc1ccccc1CCCSc1nc(N)n[nH]1 ZINC000075108689 179264363 /nfs/dbraw/zinc/26/43/63/179264363.db2.gz IVMIDGNBWNAYFY-UHFFFAOYSA-N 0 0 248.355 2.420 50 0 BEAARN C[C@@]1(C(=O)Nc2ncccc2O)CCCS1 ZINC000195559184 347645987 /nfs/dbraw/zinc/64/59/87/347645987.db2.gz LUDFOFNMEPPMPM-NSHDSACASA-N 0 0 238.312 2.011 50 0 BEAARN CCCC(C)(C)NC(=O)c1cc(C)nn1C ZINC000065041040 168577454 /nfs/dbraw/zinc/57/74/54/168577454.db2.gz BAIHGLLIQJKYHG-UHFFFAOYSA-N 0 0 223.320 2.037 50 0 BEAARN Cc1ccccc1C[NH2+][C@H](C(=O)[O-])C(C)C ZINC000019787735 179284621 /nfs/dbraw/zinc/28/46/21/179284621.db2.gz GYQBUPQNQJAUQR-LBPRGKRZSA-N 0 0 221.300 2.194 50 0 BEAARN Cc1ccccc1COC(=O)c1cnccn1 ZINC000008920955 179286034 /nfs/dbraw/zinc/28/60/34/179286034.db2.gz PNUDYFZTUCXKKW-UHFFFAOYSA-N 0 0 228.251 2.142 50 0 BEAARN Cc1ccccc1CS(=O)(=O)NCC(C)C ZINC000016578400 179287570 /nfs/dbraw/zinc/28/75/70/179287570.db2.gz ASOBWXNFZPOVQV-UHFFFAOYSA-N 0 0 241.356 2.070 50 0 BEAARN Cc1ccccc1N1C(=O)[C@@H]2CCCCN2C1=O ZINC000170592384 179295815 /nfs/dbraw/zinc/29/58/15/179295815.db2.gz CNVHESOVYLAAKH-LBPRGKRZSA-N 0 0 244.294 2.316 50 0 BEAARN Cc1ccccc1NC(=S)NC(=O)C(C)C ZINC000000310038 179302731 /nfs/dbraw/zinc/30/27/31/179302731.db2.gz HFCDSPLSIXFUTL-UHFFFAOYSA-N 0 0 236.340 2.464 50 0 BEAARN Cc1ccccc1NC(=O)c1cnccn1 ZINC000000369275 179303090 /nfs/dbraw/zinc/30/30/90/179303090.db2.gz CXFOPMCVXUCBBC-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1ccccc1NC(=O)/C=C/c1ccnn1C ZINC000040069442 179298079 /nfs/dbraw/zinc/29/80/79/179298079.db2.gz MLROYVCZHWHOME-BQYQJAHWSA-N 0 0 241.294 2.380 50 0 BEAARN Cc1ccccc1OCc1nnc(N)s1 ZINC000000366747 179312473 /nfs/dbraw/zinc/31/24/73/179312473.db2.gz PLCIFNBRXSUNMJ-UHFFFAOYSA-N 0 0 221.285 2.008 50 0 BEAARN Cc1ccccc1O[C@@H](C)C(=O)NC(C)C ZINC000059267353 179312552 /nfs/dbraw/zinc/31/25/52/179312552.db2.gz UKECSCBXHOSAAP-NSHDSACASA-N 0 0 221.300 2.287 50 0 BEAARN Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(N)=O ZINC000096491719 179322835 /nfs/dbraw/zinc/32/28/35/179322835.db2.gz ZXOQMAGYOWQJMB-CYBMUJFWSA-N 0 0 234.343 2.157 50 0 BEAARN Cc1cccnc1NC(=O)c1cccnc1 ZINC000005337919 179393395 /nfs/dbraw/zinc/39/33/95/179393395.db2.gz TXNHMEGVRORPLU-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1cccnc1NC(=O)c1ccncc1 ZINC000013235487 179393884 /nfs/dbraw/zinc/39/38/84/179393884.db2.gz XMDGBUDTMNBUHC-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN CC(C)(C)OC(=O)Nc1c[nH]nc1Cl ZINC000204604494 348355569 /nfs/dbraw/zinc/35/55/69/348355569.db2.gz FANBQIYELKQGIS-UHFFFAOYSA-N 0 0 217.656 2.410 50 0 BEAARN CCc1c(Cl)nc2ccc(C)cn2c1=O ZINC000725245869 538004479 /nfs/dbraw/zinc/00/44/79/538004479.db2.gz YMAIBGGIRBAYLC-UHFFFAOYSA-N 0 0 222.675 2.219 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]1(C)C(C)(C)C ZINC000669382872 538004255 /nfs/dbraw/zinc/00/42/55/538004255.db2.gz FJSXTLALELLQNL-WDEREUQCSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)on1 ZINC000032850829 133748092 /nfs/dbraw/zinc/74/80/92/133748092.db2.gz ZAXIFDPDMALYKB-GFCCVEGCSA-N 0 0 242.278 2.400 50 0 BEAARN Cc1ccnc(N2Cc3ccccc3C2)n1 ZINC000122962748 179434532 /nfs/dbraw/zinc/43/45/32/179434532.db2.gz XUWULXXVIUHQNF-UHFFFAOYSA-N 0 0 211.268 2.305 50 0 BEAARN Cc1ccsc1C(=O)N[C@@H](C)Cn1ccnc1 ZINC000042511224 179538152 /nfs/dbraw/zinc/53/81/52/179538152.db2.gz CAFKIPOJOMINOL-JTQLQIEISA-N 0 0 249.339 2.072 50 0 BEAARN Cc1ccsc1COC(=O)c1ccnn1C ZINC000097047015 179550803 /nfs/dbraw/zinc/55/08/03/179550803.db2.gz HDAYVSOYZIDGON-UHFFFAOYSA-N 0 0 236.296 2.147 50 0 BEAARN Cc1cccnc1CNc1ncc(C)c(C)n1 ZINC000270779078 179638248 /nfs/dbraw/zinc/63/82/48/179638248.db2.gz OFUWSXSXEPRLEB-UHFFFAOYSA-N 0 0 228.299 2.409 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]12CCC[C@H](C)C2 ZINC000669384609 538017396 /nfs/dbraw/zinc/01/73/96/538017396.db2.gz YRJFXUOEJCHNTJ-MVWJERBFSA-N 0 0 212.289 2.287 50 0 BEAARN CCCc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000005686271 349071607 /nfs/dbraw/zinc/07/16/07/349071607.db2.gz NKXPCFSFMKVOFA-UHFFFAOYSA-N 0 0 220.247 2.257 50 0 BEAARN CC1(C)OC(=O)N[C@@H]1Cc1ccccc1 ZINC000000396162 190970088 /nfs/dbraw/zinc/97/00/88/190970088.db2.gz AEEGFEJKONZGOH-SNVBAGLBSA-N 0 0 205.257 2.116 50 0 BEAARN Cc1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)o1 ZINC000006942401 190977000 /nfs/dbraw/zinc/97/70/00/190977000.db2.gz ITWAMJMNZZVXPP-UHFFFAOYSA-N 0 0 245.282 2.119 50 0 BEAARN S=c1n2ccccc2nn1CN1CCCCC1 ZINC000006985521 538036415 /nfs/dbraw/zinc/03/64/15/538036415.db2.gz IJRIJVWZKIJWSE-UHFFFAOYSA-N 0 0 248.355 2.309 50 0 BEAARN C[C@@H](CC(=O)NCc1ccccc1)n1cccn1 ZINC000020991021 349262553 /nfs/dbraw/zinc/26/25/53/349262553.db2.gz DZEDGXMAEYHHQH-LBPRGKRZSA-N 0 0 243.310 2.151 50 0 BEAARN Cc1nc(NCc2ccccc2C)n[nH]1 ZINC000035684098 179838183 /nfs/dbraw/zinc/83/81/83/179838183.db2.gz HRECEDPQNKFIFX-UHFFFAOYSA-N 0 0 202.261 2.034 50 0 BEAARN Cc1nc(-c2cccc(-c3noc(C)n3)c2)no1 ZINC000000465583 179864517 /nfs/dbraw/zinc/86/45/17/179864517.db2.gz ZYJHOYMQHUVLJH-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN Cc1nc(-c2ccsc2)ccc1C(N)=O ZINC000069462105 179869939 /nfs/dbraw/zinc/86/99/39/179869939.db2.gz UHQXFHRPYVWXJL-UHFFFAOYSA-N 0 0 218.281 2.217 50 0 BEAARN Ic1ccc2[nH]cnc2c1 ZINC000034355239 190985500 /nfs/dbraw/zinc/98/55/00/190985500.db2.gz NQDPBRYGCUYBJM-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 in-vitro BEAARN O=C(N[C@@H]1CCCC1=O)OCc1ccccc1 ZINC000220622321 350014421 /nfs/dbraw/zinc/01/44/21/350014421.db2.gz APQISPRKLLFTMY-LLVKDONJSA-N 0 0 233.267 2.034 50 0 BEAARN Cc1nc(CC(=O)NC2CCCC2)cs1 ZINC000006767549 179928874 /nfs/dbraw/zinc/92/88/74/179928874.db2.gz ZNGVCKXAVOBAIP-UHFFFAOYSA-N 0 0 224.329 2.053 50 0 BEAARN CC[C@@H]1CC(=O)NCc2nc3c(C)cccn3c21 ZINC000065530269 191001837 /nfs/dbraw/zinc/00/18/37/191001837.db2.gz BUATYSAFMYFDCD-SNVBAGLBSA-N 0 0 243.310 2.156 50 0 BEAARN CC(C)=CC(=O)N[C@@H](C)c1cccnc1 ZINC000069347742 191002077 /nfs/dbraw/zinc/00/20/77/191002077.db2.gz NFFHVXGSBUCHMT-JTQLQIEISA-N 0 0 204.273 2.225 50 0 BEAARN CC(=O)N[C@@]1([C@@H]2C=CCCC2)C=COCC1 ZINC000072194101 191004681 /nfs/dbraw/zinc/00/46/81/191004681.db2.gz CVVYCUUQSLWFTJ-OLZOCXBDSA-N 0 0 221.300 2.152 50 0 BEAARN C=CCOC(=O)OC1=CC(=O)CCCC1 ZINC000043198607 323236680 /nfs/dbraw/zinc/23/66/80/323236680.db2.gz CHZYICJKYXDFOD-UHFFFAOYSA-N 0 0 210.229 2.353 50 0 BEAARN C[C@H](NC(=O)N1CCC1)c1nc2ccccc2[nH]1 ZINC000043834356 350087207 /nfs/dbraw/zinc/08/72/07/350087207.db2.gz MGZMEYOPBGRQDH-VIFPVBQESA-N 0 0 244.298 2.039 50 0 BEAARN Cc1nc(N2CCCC2)nc2c1CCCC2 ZINC000001398558 180000639 /nfs/dbraw/zinc/00/06/39/180000639.db2.gz ZOJGJQZFBDPROG-UHFFFAOYSA-N 0 0 217.316 2.264 50 0 BEAARN C/C=C/[C@H]1OC(=O)C(C)(C)C(=O)C1(C)C ZINC000012341716 350090259 /nfs/dbraw/zinc/09/02/59/350090259.db2.gz GXSBHXOJAAYYKJ-HYDMIIDASA-N 0 0 210.273 2.109 50 0 biogenic BEAARN Cc1nn2c3c(c(C)nc2c1Cl)CCC3 ZINC000001390378 180064412 /nfs/dbraw/zinc/06/44/12/180064412.db2.gz XITROMIMEXHPLF-UHFFFAOYSA-N 0 0 221.691 2.488 50 0 BEAARN CC(C)N(C)C(=O)[C@@H](C)SC1CCOCC1 ZINC000089856809 191022267 /nfs/dbraw/zinc/02/22/67/191022267.db2.gz WRPVRVXDYJMIKC-SNVBAGLBSA-N 0 0 245.388 2.154 50 0 BEAARN Cc1nc2ccccn2c1Br ZINC000004262686 180106110 /nfs/dbraw/zinc/10/61/10/180106110.db2.gz QYPXIXIHSALTNV-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN Cc1nc2ccccn2c1-c1csc(N)n1 ZINC000004135701 180106119 /nfs/dbraw/zinc/10/61/19/180106119.db2.gz KJTFHBRMYZHFTR-UHFFFAOYSA-N 0 0 230.296 2.348 50 0 BEAARN Cc1nc2nccc(-c3ccc(F)cc3)n2n1 ZINC000057530908 180115022 /nfs/dbraw/zinc/11/50/22/180115022.db2.gz PNITXTUEZISOKC-UHFFFAOYSA-N 0 0 228.230 2.239 50 0 BEAARN Cc1nc2cc(Br)cnc2[nH]1 ZINC000015979080 180114572 /nfs/dbraw/zinc/11/45/72/180114572.db2.gz UQGVKOABQVMENO-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1nc2ccccc2nc1CSCCO ZINC000270185739 180102769 /nfs/dbraw/zinc/10/27/69/180102769.db2.gz DFKWUZDCLXUAFD-UHFFFAOYSA-N 0 0 234.324 2.164 50 0 BEAARN Cc1nc2ccccc2n1[C@H]1CCC[C@H]1O ZINC000037489910 180103455 /nfs/dbraw/zinc/10/34/55/180103455.db2.gz BMHILEJFLIAHKZ-QWHCGFSZSA-N 0 0 216.284 2.431 50 0 BEAARN Cc1nc2ccccc2n1C[C@H](O)C(F)(F)F ZINC000068877908 180104689 /nfs/dbraw/zinc/10/46/89/180104689.db2.gz WIWPZUODOSEPJR-JTQLQIEISA-N 0 0 244.216 2.268 50 0 BEAARN Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000000316052 180116759 /nfs/dbraw/zinc/11/67/59/180116759.db2.gz WCXZYDAAYHPZCD-LURJTMIESA-N 0 0 234.324 2.418 50 0 BEAARN Cc1nc2sc3c(c2c(=O)o1)CCCC3 ZINC000000040339 180117705 /nfs/dbraw/zinc/11/77/05/180117705.db2.gz MSLWJDFZJOUINW-UHFFFAOYSA-N 0 0 221.281 2.437 50 0 BEAARN COCc1cc(-c2ccc(F)cc2OC)ncn1 ZINC000097551259 191059484 /nfs/dbraw/zinc/05/94/84/191059484.db2.gz MTSYBTVJPZDPJU-UHFFFAOYSA-N 0 0 248.257 2.438 50 0 BEAARN C[C@@H]1CCCCN1C(=O)CCc1cccnc1 ZINC000032747826 350207962 /nfs/dbraw/zinc/20/79/62/350207962.db2.gz DVQLDHPAZCPTPC-GFCCVEGCSA-N 0 0 232.327 2.415 50 0 BEAARN Cc1ncccc1OCc1nnc(C2CC2)o1 ZINC000097082587 180228643 /nfs/dbraw/zinc/22/86/43/180228643.db2.gz RZSGZEHSHONELD-UHFFFAOYSA-N 0 0 231.255 2.229 50 0 BEAARN Cc1nccn1CCCNc1ccccn1 ZINC000078333558 180248609 /nfs/dbraw/zinc/24/86/09/180248609.db2.gz YTOXKMKCTSMPRU-UHFFFAOYSA-N 0 0 216.288 2.089 50 0 BEAARN Cc1cn2nc(NC3CCCC3)sc2n1 ZINC000026691139 350281746 /nfs/dbraw/zinc/28/17/46/350281746.db2.gz CBDQJCZPJIOJLP-UHFFFAOYSA-N 0 0 222.317 2.454 50 0 BEAARN Cc1nccn1Cc1noc(-c2ccccc2)n1 ZINC000064551265 180271520 /nfs/dbraw/zinc/27/15/20/180271520.db2.gz HRENQNQVPHZOBE-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN Cc1ncn(Cc2cncc(F)c2)c1C ZINC000230959599 180289600 /nfs/dbraw/zinc/28/96/00/180289600.db2.gz SMCOWSNSTACSKZ-UHFFFAOYSA-N 0 0 205.236 2.082 50 0 BEAARN CCSc1nc2ccccc2c(=O)n1C ZINC000000292428 350324290 /nfs/dbraw/zinc/32/42/90/350324290.db2.gz LCFLEZFJJSLMMI-UHFFFAOYSA-N 0 0 220.297 2.046 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)COCc1ccccc1 ZINC000040490152 350368346 /nfs/dbraw/zinc/36/83/46/350368346.db2.gz PVWMRIDLGXBCCP-GFCCVEGCSA-N 0 0 247.338 2.460 50 0 BEAARN Cc1ncsc1C(=O)NCc1ccccc1 ZINC000040529109 180305021 /nfs/dbraw/zinc/30/50/21/180305021.db2.gz XCXHIUYAHOCFGP-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN O=Cc1cc(Cl)ccc1-n1cccn1 ZINC000040448998 350364401 /nfs/dbraw/zinc/36/44/01/350364401.db2.gz WBUBMRYIKPWSCJ-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN Nc1nn(Cc2ccccn2)c2ccccc12 ZINC000040449026 350364911 /nfs/dbraw/zinc/36/49/11/350364911.db2.gz AILWAABVUPWNAQ-UHFFFAOYSA-N 0 0 224.267 2.062 50 0 BEAARN CSc1nnc(Cc2csc(C)n2)o1 ZINC000040456791 350365780 /nfs/dbraw/zinc/36/57/80/350365780.db2.gz OCWVEDRXRZKDCK-UHFFFAOYSA-N 0 0 227.314 2.147 50 0 BEAARN Cc1ncsc1CCN(C)C(=O)c1cc[nH]c1 ZINC000221415424 180308145 /nfs/dbraw/zinc/30/81/45/180308145.db2.gz SQGFZKXFXYTNGK-UHFFFAOYSA-N 0 0 249.339 2.094 50 0 BEAARN c1nc([C@H]2CCOC2)cc(N2CCCCCC2)n1 ZINC000426537827 191095960 /nfs/dbraw/zinc/09/59/60/191095960.db2.gz YUFMPHPYQMTULU-LBPRGKRZSA-N 0 0 247.342 2.361 50 0 BEAARN COc1cc(C2OCC(C)(C)CO2)ccc1O ZINC000000402283 350332277 /nfs/dbraw/zinc/33/22/77/350332277.db2.gz KXCNHCPPVWDCET-UHFFFAOYSA-N 0 0 238.283 2.472 50 0 BEAARN COC(=O)C[C@]1(C)OC[C@H](c2ccccc2)O1 ZINC000000402181 350332703 /nfs/dbraw/zinc/33/27/03/350332703.db2.gz QXKDHNLUWGBVBK-DGCLKSJQSA-N 0 0 236.267 2.054 50 0 BEAARN CC=CC=CC(=O)Nc1nc(C(C)=O)cs1 ZINC000040490382 350369897 /nfs/dbraw/zinc/36/98/97/350369897.db2.gz OVEQMSFCLAHJPY-VNKDHWASSA-N 0 0 236.296 2.417 50 0 BEAARN Cc1nn(-c2ccc(N)cn2)c(C)c1Cl ZINC000020353400 180328706 /nfs/dbraw/zinc/32/87/06/180328706.db2.gz WDHOAZHAYPVEQR-UHFFFAOYSA-N 0 0 222.679 2.120 50 0 BEAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C ZINC000012924791 180329643 /nfs/dbraw/zinc/32/96/43/180329643.db2.gz IBKBEJREDNXTMM-UHFFFAOYSA-N 0 0 243.310 2.191 50 0 BEAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CO ZINC000024045643 180329682 /nfs/dbraw/zinc/32/96/82/180329682.db2.gz AMEJWZHXFGFEHG-UHFFFAOYSA-N 0 0 220.247 2.121 50 0 BEAARN Cc1cc(CNCc2cn(C)cn2)ccc1F ZINC000725263975 538091038 /nfs/dbraw/zinc/09/10/38/538091038.db2.gz YRWRYUUUMNJAET-UHFFFAOYSA-N 0 0 233.290 2.157 50 0 BEAARN O=[N+]([O-])/C=C\c1ccc(/C=C\[N+](=O)[O-])cc1 ZINC000031671510 350398977 /nfs/dbraw/zinc/39/89/77/350398977.db2.gz ZMBDJGCBGDJQOP-SFECMWDFSA-N 0 0 220.184 2.181 50 0 BEAARN Cc1nn(C)c(C)c1OC(=O)C[C@@H]1C=CCC1 ZINC000084012277 180345059 /nfs/dbraw/zinc/34/50/59/180345059.db2.gz XRTIIQWCBCJAMS-LLVKDONJSA-N 0 0 234.299 2.299 50 0 BEAARN COc1ccc(CN(C)Cc2nccs2)cn1 ZINC000132178148 191102598 /nfs/dbraw/zinc/10/25/98/191102598.db2.gz GJHAALWZHDSVTQ-UHFFFAOYSA-N 0 0 249.339 2.179 50 0 BEAARN Cc1cc(=O)c(OCc2ccc(F)cc2)c[nH]1 ZINC000041127948 350451066 /nfs/dbraw/zinc/45/10/66/350451066.db2.gz FYWPCXLWTYCAKS-UHFFFAOYSA-N 0 0 233.242 2.401 50 0 BEAARN Cc1nn(C)c2sc(C(=O)N(C)C3CC3)cc12 ZINC000049218123 180364793 /nfs/dbraw/zinc/36/47/93/180364793.db2.gz HKVGQARAHSZSAY-UHFFFAOYSA-N 0 0 249.339 2.178 50 0 BEAARN Cc1nn(C)cc1C(=O)N(C)Cc1ccccc1 ZINC000012015514 180366911 /nfs/dbraw/zinc/36/69/11/180366911.db2.gz QQBPTONNVATJQC-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN CCCn1nc2[nH]c(=O)cc(C(F)F)c2c1C ZINC000012397848 350459254 /nfs/dbraw/zinc/45/92/54/350459254.db2.gz XOLOEAQXFVZZTB-UHFFFAOYSA-N 0 0 241.241 2.381 50 0 BEAARN Cc1nn(C)cc1[C@H](O)C(Cl)(Cl)Cl ZINC000074934390 180383336 /nfs/dbraw/zinc/38/33/36/180383336.db2.gz VITZQIRSDLPQDD-LURJTMIESA-N 0 0 243.521 2.132 50 0 BEAARN Cc1nn([C@@H](C)C(=O)NC(C)C)c2ccccc12 ZINC000015671589 180392207 /nfs/dbraw/zinc/39/22/07/180392207.db2.gz SAUYYFOTNVATRN-NSHDSACASA-N 0 0 245.326 2.430 50 0 BEAARN CC(C)C[C@@H]1NC(=O)N(c2ccccc2)C1=O ZINC000000036420 191108476 /nfs/dbraw/zinc/10/84/76/191108476.db2.gz YEMHYRVDNYBATH-NSHDSACASA-N 0 0 232.283 2.158 50 0 BEAARN O=C(O[C@@H]1CCSC1)c1cccnc1Cl ZINC000076090173 362969894 /nfs/dbraw/zinc/96/98/94/362969894.db2.gz JVUWNSOSYOKPSI-SSDOTTSWSA-N 0 0 243.715 2.397 50 0 BEAARN C[C@H](c1ccccc1)N1C(=S)N=NC1C ZINC000006401996 180437752 /nfs/dbraw/zinc/43/77/52/180437752.db2.gz WTSJXTGWVNJOHK-MRVPVSSYSA-N 0 0 219.313 2.485 50 0 BEAARN CCOc1cccc(NC(=O)[C@H]2C[C@@H]2C)n1 ZINC000076093327 362971102 /nfs/dbraw/zinc/97/11/02/362971102.db2.gz JPUURTLIXAVHNS-IUCAKERBSA-N 0 0 220.272 2.075 50 0 BEAARN Cc1ncc(Cl)c(C(=O)OC[C@H]2C[C@@H]2C)n1 ZINC000076090297 362970457 /nfs/dbraw/zinc/97/04/57/362970457.db2.gz GBJQZVCXGQGFRY-POYBYMJQSA-N 0 0 240.690 2.251 50 0 BEAARN CCOc1cccc(NC(=O)[C@H]2C[C@H]2C)n1 ZINC000076093331 362970678 /nfs/dbraw/zinc/97/06/78/362970678.db2.gz JPUURTLIXAVHNS-BDAKNGLRSA-N 0 0 220.272 2.075 50 0 BEAARN Cc1noc(C)c1CNc1ccncc1F ZINC000225406323 180474957 /nfs/dbraw/zinc/47/49/57/180474957.db2.gz VIZMKEGHFOAKPG-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Cc1noc(CNc2cccc(C)c2F)n1 ZINC000271857718 180489692 /nfs/dbraw/zinc/48/96/92/180489692.db2.gz VFXHWLKXPDBMRB-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN CC(C)(C)CC(C)(C)NC(=O)[C@H]1CCCO1 ZINC000002770743 350912810 /nfs/dbraw/zinc/91/28/10/350912810.db2.gz SDVPMMHTAVLHMG-SNVBAGLBSA-N 0 0 227.348 2.496 50 0 BEAARN CC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000177650727 366014576 /nfs/dbraw/zinc/01/45/76/366014576.db2.gz GXYJSGNZMLSRDV-QMMMGPOBSA-N 0 0 209.211 2.244 50 0 BEAARN CCN1C(=S)N(c2ccccc2)C(=O)[C@@H]1C ZINC000000972879 350961322 /nfs/dbraw/zinc/96/13/22/350961322.db2.gz RBYPFBJLQYCWJR-VIFPVBQESA-N 0 0 234.324 2.029 50 0 BEAARN Cc1cc(C)cc(NC(=O)c2ccn(C)n2)c1 ZINC000000996254 350973741 /nfs/dbraw/zinc/97/37/41/350973741.db2.gz RMIQITLRODPRCF-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN C/N=C1\S/C(=C/c2cccs2)C(=O)N1C ZINC000015227054 351120460 /nfs/dbraw/zinc/12/04/60/351120460.db2.gz ZJCMYIVCUCKUKX-PRNVZQMKSA-N 0 0 238.337 2.280 50 0 BEAARN Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)on1 ZINC000036397023 358461653 /nfs/dbraw/zinc/46/16/53/358461653.db2.gz BVSDJIYJEIOLEJ-VIFPVBQESA-N 0 0 224.304 2.490 50 0 BEAARN Clc1cnc(N2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000336474695 180598313 /nfs/dbraw/zinc/59/83/13/180598313.db2.gz PKKNDDKUXLHLLU-DTORHVGOSA-N 0 0 223.707 2.366 50 0 BEAARN Clc1nccn2nc3c(c12)CCCC3 ZINC000095883520 180603559 /nfs/dbraw/zinc/60/35/59/180603559.db2.gz CQXJTCSDIJJBHH-UHFFFAOYSA-N 0 0 207.664 2.262 50 0 BEAARN Clc1ncnc2cc3c(cc12)OCCO3 ZINC000040448459 180603244 /nfs/dbraw/zinc/60/32/44/180603244.db2.gz KOSFQWDAKWKNJM-UHFFFAOYSA-N 0 0 222.631 2.054 50 0 BEAARN Cn1cc(-c2ccc(O)cc2)[nH]c1=S ZINC000006668189 180627532 /nfs/dbraw/zinc/62/75/32/180627532.db2.gz SZAQUCLSYQQHBS-UHFFFAOYSA-N 0 0 206.270 2.455 50 0 BEAARN CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000000057912 187582675 /nfs/dbraw/zinc/58/26/75/187582675.db2.gz HXVZGASCDAGAPS-UHFFFAOYSA-N 0 0 218.208 2.027 50 0 endogenous,in-man BEAARN Cc1cc(C)cc(NC(=O)COC(=O)C(C)C)c1 ZINC000003363076 187584749 /nfs/dbraw/zinc/58/47/49/187584749.db2.gz JWTFBLJAKLWYSJ-UHFFFAOYSA-N 0 0 249.310 2.441 50 0 BEAARN CC1N=NC(=O)O[C@@]1(C)c1ccccc1 ZINC000004776600 187585684 /nfs/dbraw/zinc/58/56/84/187585684.db2.gz CWZAHGNWKZHUDH-LLVKDONJSA-N 0 0 204.229 2.018 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N(C)[C@H](C)C1CC1 ZINC000040521140 187601454 /nfs/dbraw/zinc/60/14/54/187601454.db2.gz SJLRTCYHDDMQPZ-GHMZBOCLSA-N 0 0 227.348 2.304 50 0 BEAARN O=Cc1ccc(-c2cccc(O)c2F)cn1 ZINC000725269891 538101995 /nfs/dbraw/zinc/10/19/95/538101995.db2.gz ADRZKWKKNIWLLQ-UHFFFAOYSA-N 0 0 217.199 2.406 50 0 BEAARN FC(F)=C(F)I ZINC000056961655 187612176 /nfs/dbraw/zinc/61/21/76/187612176.db2.gz PZVZTKFRZJMHEM-UHFFFAOYSA-N 0 0 207.920 2.457 50 0 BEAARN CC(C)C[C@@H]1Nc2ccccc2C(=O)N1 ZINC000061714951 187613239 /nfs/dbraw/zinc/61/32/39/187613239.db2.gz SDHMYLCDQYWQQE-LLVKDONJSA-N 0 0 204.273 2.214 50 0 biogenic BEAARN c1nnc2c(NCCC3=CCCCC3)nccn12 ZINC000079468733 187619686 /nfs/dbraw/zinc/61/96/86/187619686.db2.gz KATOLAWYPOZIAP-UHFFFAOYSA-N 0 0 243.314 2.427 50 0 BEAARN CC(C)[C@H](NC(=O)[C@H]1CCCO1)c1ccccn1 ZINC000078826826 187620053 /nfs/dbraw/zinc/62/00/53/187620053.db2.gz QYFRITYSPBBUFK-OLZOCXBDSA-N 0 0 248.326 2.074 50 0 BEAARN Cc1ccc(C(=O)CC2OCCO2)cc1C ZINC000085652260 187625310 /nfs/dbraw/zinc/62/53/10/187625310.db2.gz GAWXVPOXSQCBLB-UHFFFAOYSA-N 0 0 220.268 2.249 50 0 BEAARN CC(=O)[C@@H](C)Sc1nc(C)nc2c1CCC2 ZINC000012016883 187648153 /nfs/dbraw/zinc/64/81/53/187648153.db2.gz SMHQUZUIJHWASL-MRVPVSSYSA-N 0 0 236.340 2.343 50 0 BEAARN CC(=O)NCc1ccc(-c2nccs2)cc1 ZINC000065009500 187670153 /nfs/dbraw/zinc/67/01/53/187670153.db2.gz QVLJBXQNVHJUIK-UHFFFAOYSA-N 0 0 232.308 2.446 50 0 BEAARN Cc1cnc(C(=O)NCCCC2CCCC2)cn1 ZINC000044633022 352376765 /nfs/dbraw/zinc/37/67/65/352376765.db2.gz QHDCEHPXBYVYNI-UHFFFAOYSA-N 0 0 247.342 2.485 50 0 BEAARN COC[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC000044896901 352486912 /nfs/dbraw/zinc/48/69/12/352486912.db2.gz SGCAVNPOHXANHU-NSHDSACASA-N 0 0 235.327 2.115 50 0 BEAARN Cc1c[nH]c([C@H](C)NC(=O)Cc2ccsc2)n1 ZINC000534660415 352599467 /nfs/dbraw/zinc/59/94/67/352599467.db2.gz YISKUZDBTKDWDR-VIFPVBQESA-N 0 0 249.339 2.200 50 0 BEAARN Cn1cnc2cccc(Br)c21 ZINC000076208383 180777232 /nfs/dbraw/zinc/77/72/32/180777232.db2.gz KZTGHKQWSQMAEZ-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Clc1ccc(C2=NCCn3cccc32)cn1 ZINC000000337526 187925187 /nfs/dbraw/zinc/92/51/87/187925187.db2.gz GFOUMTLMARQQRZ-UHFFFAOYSA-N 0 0 231.686 2.388 50 0 BEAARN NC(=S)c1cccc(Br)c1 ZINC000002540594 187927215 /nfs/dbraw/zinc/92/72/15/187927215.db2.gz YCFFEUUASMKLDX-UHFFFAOYSA-N 0 0 216.103 2.083 50 0 BEAARN CC(=O)[C@@H](C)Oc1ccc(F)cc1F ZINC000003134340 187927777 /nfs/dbraw/zinc/92/77/77/187927777.db2.gz LOHKSVQHSBBNBH-SSDOTTSWSA-N 0 0 200.184 2.321 50 0 BEAARN CC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000004031459 187927793 /nfs/dbraw/zinc/92/77/93/187927793.db2.gz LDYZADQDAXBOIE-LURJTMIESA-N 0 0 210.302 2.226 50 0 BEAARN CC(=O)N[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000004998390 187928565 /nfs/dbraw/zinc/92/85/65/187928565.db2.gz MEPTUVQTRWEOTI-VIFPVBQESA-N 0 0 245.282 2.242 50 0 BEAARN C/C=C/COC(=O)c1cccnc1OCC ZINC000040023634 187944061 /nfs/dbraw/zinc/94/40/61/187944061.db2.gz YPGFYLPEFMJTLA-HWKANZROSA-N 0 0 221.256 2.213 50 0 BEAARN NC(=S)c1ccc(C(F)(F)F)cc1F ZINC000014807937 187933653 /nfs/dbraw/zinc/93/36/53/187933653.db2.gz IJMKZNPNGJUNIN-UHFFFAOYSA-N 0 0 223.194 2.479 50 0 BEAARN COC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000005440155 353001220 /nfs/dbraw/zinc/00/12/20/353001220.db2.gz VNTSPOFDGVLGOQ-UHFFFAOYSA-N 0 0 248.282 2.300 50 0 BEAARN CC(=O)c1ccc(NC(=O)C2CCOCC2)cc1 ZINC000024002676 187937607 /nfs/dbraw/zinc/93/76/07/187937607.db2.gz CGMDQCZRDPMXKY-UHFFFAOYSA-N 0 0 247.294 2.254 50 0 BEAARN CC(C)(O)c1ccc(C2OCCO2)c(F)c1 ZINC000044124283 187950805 /nfs/dbraw/zinc/95/08/05/187950805.db2.gz HENMJXRHWXILDC-UHFFFAOYSA-N 0 0 226.247 2.099 50 0 BEAARN CCCn1nccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000032611534 188010773 /nfs/dbraw/zinc/01/07/73/188010773.db2.gz BEIJMEXWJWAPKH-TXEJJXNPSA-N 0 0 249.358 2.411 50 0 BEAARN CCCn1ccc(C(=O)N2CCC(C)CC2)n1 ZINC000032648274 188010840 /nfs/dbraw/zinc/01/08/40/188010840.db2.gz OLERTZUCOUEBJR-UHFFFAOYSA-N 0 0 235.331 2.165 50 0 BEAARN CCCCCNC(=O)NCC(C)(C)CCCO ZINC000095458692 168707885 /nfs/dbraw/zinc/70/78/85/168707885.db2.gz AQTKCEPMLHWPFG-UHFFFAOYSA-N 0 0 244.379 2.275 50 0 BEAARN Fc1cnccc1CN1CCC=C(F)C1 ZINC000336224473 180921856 /nfs/dbraw/zinc/92/18/56/180921856.db2.gz AWBMRXBXNYWKIY-UHFFFAOYSA-N 0 0 210.227 2.280 50 0 BEAARN C=Cn1c(N)c(C(=O)OCC)sc1=S ZINC000003236783 188254116 /nfs/dbraw/zinc/25/41/16/188254116.db2.gz TXBPRQWURFCNLL-UHFFFAOYSA-N 0 0 230.314 2.138 50 0 BEAARN C/C=C/C=C\C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000096403037 188271825 /nfs/dbraw/zinc/27/18/25/188271825.db2.gz WABAAULGWPVYTQ-ICWBMWKASA-N 0 0 244.294 2.117 50 0 BEAARN Cc1nc(N)sc1Cc1ccc(O)cc1 ZINC000000034433 188272113 /nfs/dbraw/zinc/27/21/13/188272113.db2.gz OYSGOQQALAMXRO-UHFFFAOYSA-N 0 0 220.297 2.330 50 0 BEAARN Cc1ccc(OCc2nnc(N)s2)c(C)c1 ZINC000000052489 188272476 /nfs/dbraw/zinc/27/24/76/188272476.db2.gz MZBSWNVTBJDHRC-UHFFFAOYSA-N 0 0 235.312 2.316 50 0 BEAARN CC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000000082433 188272812 /nfs/dbraw/zinc/27/28/12/188272812.db2.gz UHCVPUSBZDLSQF-VIFPVBQESA-N 0 0 232.235 2.149 50 0 BEAARN S=c1[n-]nc(SCC2CC2)s1 ZINC000000128840 188272825 /nfs/dbraw/zinc/27/28/25/188272825.db2.gz RRISNQKVUMJONS-UHFFFAOYSA-N 0 0 204.345 2.329 50 0 BEAARN NC(=S)c1ccccc1C(F)(F)F ZINC000002540607 188274673 /nfs/dbraw/zinc/27/46/73/188274673.db2.gz MBSSSIMORFRLOK-UHFFFAOYSA-N 0 0 205.204 2.340 50 0 BEAARN CC(C)(C)OC(=O)N[C@H](CO)C1CCCCC1 ZINC000002526760 188274758 /nfs/dbraw/zinc/27/47/58/188274758.db2.gz YNBRORWNNGUYQA-LLVKDONJSA-N 0 0 243.347 2.452 50 0 BEAARN Cc1c(Cl)cccc1NC(=O)CN(C)C ZINC000003326731 188275603 /nfs/dbraw/zinc/27/56/03/188275603.db2.gz QEPALPVKDNIGEX-UHFFFAOYSA-N 0 0 226.707 2.149 50 0 BEAARN CSc1ccc(CNc2nc[nH]n2)cc1 ZINC000004998029 188276430 /nfs/dbraw/zinc/27/64/30/188276430.db2.gz KTVZLUVFICWNRI-UHFFFAOYSA-N 0 0 220.301 2.139 50 0 BEAARN Cc1ccnc(C)c1NC(=O)C[C@H]1CCOC1 ZINC000333401634 188278612 /nfs/dbraw/zinc/27/86/12/188278612.db2.gz NZBJKOFTQQUXCK-LLVKDONJSA-N 0 0 234.299 2.064 50 0 BEAARN CC(=O)Nc1cccc(-c2csc(N)n2)c1 ZINC000012379773 188279150 /nfs/dbraw/zinc/27/91/50/188279150.db2.gz TXQFUZOMCPMZMM-UHFFFAOYSA-N 0 0 233.296 2.351 50 0 BEAARN CC(=O)Nc1nc(-c2ccccc2)c[nH]1 ZINC000012404665 188279159 /nfs/dbraw/zinc/27/91/59/188279159.db2.gz FHPJRPZJOWONDO-UHFFFAOYSA-N 0 0 201.229 2.035 50 0 BEAARN CC(C)[C@@H](N)c1nc(-c2ccccc2)no1 ZINC000019785546 188281423 /nfs/dbraw/zinc/28/14/23/188281423.db2.gz ORHFAVJIUVVIMO-SNVBAGLBSA-N 0 0 217.272 2.392 50 0 BEAARN CC1(C)OCc2c1[nH]c1ccccc1c2=O ZINC000039251300 188282710 /nfs/dbraw/zinc/28/27/10/188282710.db2.gz SCHIOULLRDZZAY-UHFFFAOYSA-N 0 0 215.252 2.293 50 0 BEAARN CC(C)CNC(=O)CCOc1cccc(F)c1 ZINC000040069522 188283930 /nfs/dbraw/zinc/28/39/30/188283930.db2.gz VZTKTKRTOFOZLB-UHFFFAOYSA-N 0 0 239.290 2.367 50 0 BEAARN Cc1c(Cl)c(=O)c(Cl)c(C)n1C ZINC000032236304 188284140 /nfs/dbraw/zinc/28/41/40/188284140.db2.gz LPOBRZOJBGJACA-UHFFFAOYSA-N 0 0 206.072 2.309 50 0 BEAARN CC(=O)Nc1cc(Cl)cc(NC(C)=O)c1 ZINC000071773909 188288195 /nfs/dbraw/zinc/28/81/95/188288195.db2.gz INTYZZDKTXISEV-UHFFFAOYSA-N 0 0 226.663 2.257 50 0 BEAARN C=Cn1ccnc1[C@@H](O)c1ccccc1 ZINC000075250059 188288810 /nfs/dbraw/zinc/28/88/10/188288810.db2.gz RSUQCWIBOUYLFI-NSHDSACASA-N 0 0 200.241 2.065 50 0 BEAARN C/C=C/C=C/C(=O)Nc1ccccc1O ZINC000082265349 188293960 /nfs/dbraw/zinc/29/39/60/188293960.db2.gz LCHWXAYMPYZFRE-DSXPNFDZSA-N 0 0 203.241 2.463 50 0 BEAARN CC(=O)Oc1cccc(C(=O)c2ccco2)c1 ZINC000043210683 188295487 /nfs/dbraw/zinc/29/54/87/188295487.db2.gz KKDXNMPGYHPJOQ-UHFFFAOYSA-N 0 0 230.219 2.436 50 0 BEAARN CC(C)(C)c1nnc(CN2CCCCC2)o1 ZINC000069369605 188304846 /nfs/dbraw/zinc/30/48/46/188304846.db2.gz BUOZSDKRTNJJID-UHFFFAOYSA-N 0 0 223.320 2.353 50 0 BEAARN CC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000091105420 188317871 /nfs/dbraw/zinc/31/78/71/188317871.db2.gz JEWHMMXAQWWCOO-UHFFFAOYSA-N 0 0 233.189 2.428 50 0 BEAARN Cc1ccc(C)c(C(=O)CC2OCCO2)c1 ZINC000085652256 188318489 /nfs/dbraw/zinc/31/84/89/188318489.db2.gz XLFBPTQPXXVLOO-UHFFFAOYSA-N 0 0 220.268 2.249 50 0 BEAARN CC(C)[C@H](C)SCC(=O)NC1CCOCC1 ZINC000095403421 188318613 /nfs/dbraw/zinc/31/86/13/188318613.db2.gz OHTORKHJMNGYBX-JTQLQIEISA-N 0 0 245.388 2.059 50 0 BEAARN COc1ncc(Br)c2cccnc21 ZINC000095740534 188320528 /nfs/dbraw/zinc/32/05/28/188320528.db2.gz GJKRAZSBXOSEDJ-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN CC(C)=CC/C=C1\CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000100244564 188329292 /nfs/dbraw/zinc/32/92/92/188329292.db2.gz XPGHNXMVHVOVHW-SRXIBPRUSA-N 0 0 233.311 2.342 50 0 BEAARN CC(=O)OC[C@@]12COC[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000004027150 188332468 /nfs/dbraw/zinc/33/24/68/188332468.db2.gz PUIXWPWZUOZSNM-RFHZTLPTSA-N 0 0 238.327 2.414 50 0 biogenic BEAARN C1=CC[C@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)CC1 ZINC000004124548 188332950 /nfs/dbraw/zinc/33/29/50/188332950.db2.gz DOIMBTOKESEEMG-MELADBBJSA-N 0 0 237.343 2.180 50 0 BEAARN O=C([C@@H]1CCCOC1)N1CCCc2ccccc21 ZINC000082322398 538115959 /nfs/dbraw/zinc/11/59/59/538115959.db2.gz RHDGNOPDDUXQCO-CYBMUJFWSA-N 0 0 245.322 2.392 50 0 BEAARN Fc1c[nH]c2nc(Cl)nc(Cl)c12 ZINC000082046926 180946770 /nfs/dbraw/zinc/94/67/70/180946770.db2.gz GBGLPMUAQOPSLG-UHFFFAOYSA-N 0 0 206.007 2.404 50 0 BEAARN NC(=O)c1cccc2c1-c1ccccc1C2 ZINC000000304964 188333903 /nfs/dbraw/zinc/33/39/03/188333903.db2.gz FTFHZWLNIADXOA-UHFFFAOYSA-N 0 0 209.248 2.357 50 0 BEAARN Cc1cccc(CSc2nccc(=O)[nH]2)c1 ZINC000000142203 188334203 /nfs/dbraw/zinc/33/42/03/188334203.db2.gz KMWUBAOLSNGBHI-UHFFFAOYSA-N 0 0 232.308 2.371 50 0 BEAARN CC(C)C[C@@H](NC(N)=O)c1ccccc1 ZINC000000439020 188335098 /nfs/dbraw/zinc/33/50/98/188335098.db2.gz HTSFLMWCOIGAMV-LLVKDONJSA-N 0 0 206.289 2.442 50 0 BEAARN CC(C)[C@@H]1COC2(COC2)N1Cc1ccccc1 ZINC000169804262 188338251 /nfs/dbraw/zinc/33/82/51/188338251.db2.gz AGBCHVAEEBGRIQ-AWEZNQCLSA-N 0 0 247.338 2.270 50 0 BEAARN CCn1nccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000028575770 188357670 /nfs/dbraw/zinc/35/76/70/188357670.db2.gz HIXPLQJMNKWAHQ-PHIMTYICSA-N 0 0 235.331 2.021 50 0 BEAARN Cc1ccc(C)c(CC(=O)Nc2cnns2)c1 ZINC000189568149 188349214 /nfs/dbraw/zinc/34/92/14/188349214.db2.gz ZUNRLRXXVWFHRB-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN CCOc1ccccc1NC(=O)c1ccn(C)n1 ZINC000000996163 353422824 /nfs/dbraw/zinc/42/28/24/353422824.db2.gz OYSQIWGMLLPZOW-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN Nc1csnc1C(=O)Nc1ccc(F)cc1 ZINC000001425505 353718065 /nfs/dbraw/zinc/71/80/65/353718065.db2.gz YZYZRMQLBYHINE-UHFFFAOYSA-N 0 0 237.259 2.117 50 0 BEAARN Fc1ccccc1CN1CCn2ccnc2C1 ZINC000097201141 181011966 /nfs/dbraw/zinc/01/19/66/181011966.db2.gz LXMGIXSHEKSXRD-UHFFFAOYSA-N 0 0 231.274 2.038 50 0 BEAARN Fc1cccnc1NCc1ccccn1 ZINC000054700535 181015484 /nfs/dbraw/zinc/01/54/84/181015484.db2.gz AFSQVHAHKXUZON-UHFFFAOYSA-N 0 0 203.220 2.228 50 0 BEAARN Fc1ccnc2[nH]cc(Br)c21 ZINC000044700042 181017232 /nfs/dbraw/zinc/01/72/32/181017232.db2.gz QOJJJMJHXJYYRV-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Fc1cnc(N2Cc3ccccc3C2)nc1 ZINC000336429997 181017576 /nfs/dbraw/zinc/01/75/76/181017576.db2.gz MIIAZAFRYSVDRL-UHFFFAOYSA-N 0 0 215.231 2.136 50 0 BEAARN O=C(c1ccoc1)N1CCc2ccccc2C1 ZINC000017322082 363371687 /nfs/dbraw/zinc/37/16/87/363371687.db2.gz LPQLMQSSMIBAAR-UHFFFAOYSA-N 0 0 227.263 2.478 50 0 BEAARN C[C@H](NC(=O)C1CC=CC1)C(C)(F)F ZINC000334688204 354434354 /nfs/dbraw/zinc/43/43/54/354434354.db2.gz XIFSQCMHANZZTK-ZETCQYMHSA-N 0 0 203.232 2.113 50 0 BEAARN C[C@@H](F)CCNC(=O)N1CCCC[C@H]1C ZINC000334678823 354423357 /nfs/dbraw/zinc/42/33/57/354423357.db2.gz HYADTCHCKUEXKM-NXEZZACHSA-N 0 0 216.300 2.319 50 0 BEAARN Fc1cncc(Cn2cc(Cl)cn2)c1 ZINC000334658839 354455136 /nfs/dbraw/zinc/45/51/36/354455136.db2.gz GJBWKZDQMZPTOJ-UHFFFAOYSA-N 0 0 211.627 2.119 50 0 BEAARN CCN(C(=O)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000032738379 354543705 /nfs/dbraw/zinc/54/37/05/354543705.db2.gz CKCYNGDOCRTEIC-GFCCVEGCSA-N 0 0 237.274 2.358 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)c2ccccn2)n1 ZINC000032909337 354596283 /nfs/dbraw/zinc/59/62/83/354596283.db2.gz QBCWVRLXOHXMEO-LLVKDONJSA-N 0 0 241.294 2.276 50 0 BEAARN CSc1ccc(C(=O)N2CCCC2)cn1 ZINC000032907413 354596478 /nfs/dbraw/zinc/59/64/78/354596478.db2.gz ATQJUFQTTJFPRA-UHFFFAOYSA-N 0 0 222.313 2.040 50 0 BEAARN Cc1occc1C(=O)N(C)[C@@H](C)C1CC1 ZINC000032907069 354596565 /nfs/dbraw/zinc/59/65/65/354596565.db2.gz SCAGVBLZXXBJOT-QMMMGPOBSA-N 0 0 207.273 2.459 50 0 BEAARN O=C(N[C@@H]1CCCC[C@H]1F)c1ccc[nH]1 ZINC000335201726 355035129 /nfs/dbraw/zinc/03/51/29/355035129.db2.gz VUKHBZCOYCYUHL-RKDXNWHRSA-N 0 0 210.252 2.025 50 0 BEAARN CN(C(=O)C1CC=CC1)c1ccc(F)cn1 ZINC000335192222 355025375 /nfs/dbraw/zinc/02/53/75/355025375.db2.gz MBZKIOMBFKMNMY-UHFFFAOYSA-N 0 0 220.247 2.150 50 0 BEAARN CCCCC[S@](=O)[C@H]1CCO[C@@H]1C ZINC000191198955 168747663 /nfs/dbraw/zinc/74/76/63/168747663.db2.gz FOCDLQJVYHHBNH-NRUUGDAUSA-N 0 0 204.335 2.103 50 0 BEAARN N=C(NO)c1c(F)c(F)ccc1C(F)(F)F ZINC000034279389 181200334 /nfs/dbraw/zinc/20/03/34/181200334.db2.gz VYYGIBIHKAKDQL-UHFFFAOYSA-N 0 0 240.131 2.288 50 0 BEAARN Cc1ncc(C(=O)N[C@H]2CCC[C@H]2F)s1 ZINC000335859644 355605923 /nfs/dbraw/zinc/60/59/23/355605923.db2.gz NCIAEJNLUWEJMW-SFYZADRCSA-N 0 0 228.292 2.072 50 0 BEAARN NC(=S)Nc1ccc(F)c(F)c1F ZINC000013659124 181206954 /nfs/dbraw/zinc/20/69/54/181206954.db2.gz OVJUYOKLFOWYFO-UHFFFAOYSA-N 0 0 206.192 2.380 50 0 BEAARN N=C1c2c3c(sc2NC2=NCCN21)CCCC3 ZINC000012016171 181207474 /nfs/dbraw/zinc/20/74/74/181207474.db2.gz ZZWSJOPDTAEUEX-UHFFFAOYSA-N 0 0 246.339 2.049 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)no1 ZINC000047464485 355756536 /nfs/dbraw/zinc/75/65/36/355756536.db2.gz CFLCCUJLMSZVKY-IUCAKERBSA-N 0 0 222.288 2.101 50 0 BEAARN N=c1c2c3c(sc2nc2n1CCC2)CCCC3 ZINC000100038671 181208366 /nfs/dbraw/zinc/20/83/66/181208366.db2.gz HVQXVSIVUULKNU-UHFFFAOYSA-N 0 0 245.351 2.402 50 0 BEAARN COCc1nc(-c2ccccc2F)no1 ZINC000336016081 134052896 /nfs/dbraw/zinc/05/28/96/134052896.db2.gz GIJOGICGAAWEMP-UHFFFAOYSA-N 0 0 208.192 2.022 50 0 BEAARN Cc1cccc(CS(=O)(=O)c2ccccn2)c1 ZINC000047620147 355777486 /nfs/dbraw/zinc/77/74/86/355777486.db2.gz NWIUBGNRNWABLY-UHFFFAOYSA-N 0 0 247.319 2.364 50 0 BEAARN CCOc1c(=O)c(=O)c1Nc1cc(C)cc(C)c1 ZINC000015768224 355843429 /nfs/dbraw/zinc/84/34/29/355843429.db2.gz FGZWNMSRNZEWFQ-UHFFFAOYSA-N 0 0 245.278 2.042 50 0 BEAARN COC(=O)c1sccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000035163690 355862587 /nfs/dbraw/zinc/86/25/87/355862587.db2.gz WNUUPAXJWOBHKE-NKWVEPMBSA-N 0 0 239.296 2.129 50 0 BEAARN c1nc2cc(OCc3ccccc3)ccn2n1 ZINC000115457251 355989483 /nfs/dbraw/zinc/98/94/83/355989483.db2.gz ZCUJWYCESPCMBB-UHFFFAOYSA-N 0 0 225.251 2.308 50 0 BEAARN Nc1ncc(-c2cccc(F)c2F)cn1 ZINC000032537307 355943837 /nfs/dbraw/zinc/94/38/37/355943837.db2.gz XIMVIOHPEZLINO-UHFFFAOYSA-N 0 0 207.183 2.004 50 0 BEAARN NC(=O)COC(c1ccccc1)c1ccccc1 ZINC000045294329 181237893 /nfs/dbraw/zinc/23/78/93/181237893.db2.gz BKWAZKKPULOMIB-UHFFFAOYSA-N 0 0 241.290 2.278 50 0 BEAARN NC(=O)CCSc1nc2ccccc2s1 ZINC000000320645 181226336 /nfs/dbraw/zinc/22/63/36/181226336.db2.gz QYNHOITWMFLZJM-UHFFFAOYSA-N 0 0 238.337 2.264 50 0 BEAARN NC(=O)CCSCc1c[nH]c2ccccc12 ZINC000009614611 181226853 /nfs/dbraw/zinc/22/68/53/181226853.db2.gz GFYBIUCRSJQSJU-UHFFFAOYSA-N 0 0 234.324 2.277 50 0 BEAARN NC(=O)NOCc1c(Cl)cccc1Cl ZINC000002508422 181260828 /nfs/dbraw/zinc/26/08/28/181260828.db2.gz XWNNHEXUENWLNK-UHFFFAOYSA-N 0 0 235.070 2.093 50 0 BEAARN NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001232422 181262942 /nfs/dbraw/zinc/26/29/42/181262942.db2.gz FQEIBEOBXKJAMZ-UHFFFAOYSA-N 0 0 204.151 2.196 50 0 BEAARN NC(=O)[C@@H](Cc1ccccc1)Oc1ccccc1 ZINC000059566273 181265462 /nfs/dbraw/zinc/26/54/62/181265462.db2.gz DCNMKVRBNHWYNP-CQSZACIVSA-N 0 0 241.290 2.162 50 0 BEAARN NC(=O)SCC(=O)Nc1ccc(Cl)cc1 ZINC000000441279 181263659 /nfs/dbraw/zinc/26/36/59/181263659.db2.gz FFIDTKZUDKHDGA-UHFFFAOYSA-N 0 0 244.703 2.090 50 0 BEAARN NC(=O)Nc1nc2c(cccc2Cl)s1 ZINC000000389900 181263695 /nfs/dbraw/zinc/26/36/95/181263695.db2.gz RZDAGRHJZGTTJK-UHFFFAOYSA-N 0 0 227.676 2.440 50 0 BEAARN NC(=O)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000000393453 181266856 /nfs/dbraw/zinc/26/68/56/181266856.db2.gz NAFOOGOADMAIJN-ZDUSSCGKSA-N 0 0 226.279 2.325 50 0 BEAARN O[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000037464669 356368776 /nfs/dbraw/zinc/36/87/76/356368776.db2.gz WNVRHCQWOSHKFA-GFCCVEGCSA-N 0 0 203.216 2.302 50 0 BEAARN O=C1CC2CC(=O)CC2(C2CC=CC2)C1 ZINC000001623794 356364371 /nfs/dbraw/zinc/36/43/71/356364371.db2.gz HOFKNKOGUATWKV-UHFFFAOYSA-N 0 0 204.269 2.281 50 0 BEAARN NC(=O)[C@@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000026157974 181265928 /nfs/dbraw/zinc/26/59/28/181265928.db2.gz FIUSXXYCERDGMJ-ZDUSSCGKSA-N 0 0 244.269 2.464 50 0 BEAARN COCO[C@@H]1C[C@@H]2[C@H](C=C1OC(C)=O)C2(C)C ZINC000071786718 356374089 /nfs/dbraw/zinc/37/40/89/356374089.db2.gz FIPQPBKUQCWUNT-OUAUKWLOSA-N 0 0 240.299 2.098 50 0 BEAARN CC(=O)[C@H]1[C@@H]2C=C[C@H]3[C@@H](C(C)=O)[C@@H]4C=C[C@H]1[C@H]4[C@@H]23 ZINC000248382141 356384726 /nfs/dbraw/zinc/38/47/26/356384726.db2.gz WAFUAESYRJBJEJ-QZUMUTTRSA-N 0 0 242.318 2.261 50 0 BEAARN COC(=O)C1C2=CC=CC=C1C=CC=C2 ZINC000038271601 356370701 /nfs/dbraw/zinc/37/07/01/356370701.db2.gz WDXWYGHRZVRCHQ-UHFFFAOYSA-N 0 0 200.237 2.324 50 0 BEAARN CCCC(=O)NCCc1ccc([C@@H](C)O)s1 ZINC000618256578 356471020 /nfs/dbraw/zinc/47/10/20/356471020.db2.gz UOKWYWPBDRKWJR-SECBINFHSA-N 0 0 241.356 2.260 50 0 BEAARN CCCC[C@H](C)C(=O)Nc1cc(C)n(C)n1 ZINC000252510547 363472761 /nfs/dbraw/zinc/47/27/61/363472761.db2.gz ZNNHGYQTYRVBIG-VIFPVBQESA-N 0 0 223.320 2.493 50 0 BEAARN CC(C)CC(=O)N1CCn2c3ccccc3nc21 ZINC000012537164 363482097 /nfs/dbraw/zinc/48/20/97/363482097.db2.gz JKAMDWWOXFBIHN-UHFFFAOYSA-N 0 0 243.310 2.429 50 0 BEAARN NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000000508122 181287224 /nfs/dbraw/zinc/28/72/24/181287224.db2.gz CTQKAIPYGFAGEB-UHFFFAOYSA-N 0 0 222.631 2.094 50 0 BEAARN CCNC(=O)N(CC)c1cccc(F)c1 ZINC000019877958 134155008 /nfs/dbraw/zinc/15/50/08/134155008.db2.gz SRWSRKZSPPCSMZ-UHFFFAOYSA-N 0 0 210.252 2.382 50 0 BEAARN COC(=O)Cc1cc(=O)[nH]c2c(C)ccc(F)c12 ZINC000675081754 538522227 /nfs/dbraw/zinc/52/22/27/538522227.db2.gz KUXYUPJNXRNPFW-UHFFFAOYSA-N 0 0 249.241 2.103 50 0 BEAARN COC(=O)Cc1cc(=O)[nH]c2c(C)ccc(C)c12 ZINC000675081656 538522763 /nfs/dbraw/zinc/52/27/63/538522763.db2.gz HJLDEQQBFOJEMN-UHFFFAOYSA-N 0 0 245.278 2.273 50 0 BEAARN CCC1CCC2(CC1)O[C@]2(C)C(=O)OC ZINC000085657945 538543751 /nfs/dbraw/zinc/54/37/51/538543751.db2.gz GYAWPKCREUQGKJ-CKBZRRDASA-N 0 0 212.289 2.287 50 0 BEAARN COC(=O)[C@]1(C)O[C@@]1(C)c1ccc(C)s1 ZINC000085657910 538543865 /nfs/dbraw/zinc/54/38/65/538543865.db2.gz KYRMNCDKAOXDCD-QWRGUYRKSA-N 0 0 226.297 2.234 50 0 BEAARN COC(=O)[C@@H]1OC12CCC(C(C)C)CC2 ZINC000084324064 538530355 /nfs/dbraw/zinc/53/03/55/538530355.db2.gz WLOWKJJDDPFJOZ-YZRBJQDESA-N 0 0 212.289 2.143 50 0 BEAARN O=C(c1ccco1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089794339 538583546 /nfs/dbraw/zinc/58/35/46/538583546.db2.gz WUAIMILCHGLLGK-QWRGUYRKSA-N 0 0 217.268 2.318 50 0 BEAARN O=C(C1=CCCCO1)N1CCc2ccccc2C1 ZINC000089861103 538584444 /nfs/dbraw/zinc/58/44/44/538584444.db2.gz MJPITFSNIKQUIG-UHFFFAOYSA-N 0 0 243.306 2.266 50 0 BEAARN O=C(N1CC[C@@H]1c1ccccc1)n1ccnc1 ZINC000089828104 538584589 /nfs/dbraw/zinc/58/45/89/538584589.db2.gz SCZDCRRUVJDTNI-GFCCVEGCSA-N 0 0 227.267 2.298 50 0 BEAARN O=C(c1ccccn1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089878914 538584965 /nfs/dbraw/zinc/58/49/65/538584965.db2.gz BMLDGTMWPQYVEM-TXEJJXNPSA-N 0 0 228.295 2.120 50 0 BEAARN O=C(c1ccoc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089885118 538587067 /nfs/dbraw/zinc/58/70/67/538587067.db2.gz FHRUAQKDNDYZJU-PHIMTYICSA-N 0 0 217.268 2.318 50 0 BEAARN C[C@@H](Cc1ccsc1)[N@H+](C)CCC(=O)[O-] ZINC000212305731 356736417 /nfs/dbraw/zinc/73/64/17/356736417.db2.gz RPJHKVFWSMTIRQ-VIFPVBQESA-N 0 0 227.329 2.086 50 0 BEAARN C[C@H](Sc1nc2ncccn2n1)C(F)(F)F ZINC000095427332 538603494 /nfs/dbraw/zinc/60/34/94/538603494.db2.gz QFSONQJCVSCJFO-YFKPBYRVSA-N 0 0 248.233 2.167 50 0 BEAARN Cc1ccc([C@@H]2NC(=O)[C@H]3CCCCN32)nc1 ZINC000095966446 538611134 /nfs/dbraw/zinc/61/11/34/538611134.db2.gz NEZLRIUTSISDMU-VXGBXAGGSA-N 0 0 231.299 2.213 50 0 BEAARN CN(C)C(=O)c1ccc(Cn2cccc2)cc1 ZINC000095948366 538611160 /nfs/dbraw/zinc/61/11/60/538611160.db2.gz SAIDZQHICTWQPE-UHFFFAOYSA-N 0 0 228.295 2.238 50 0 BEAARN CC(C)n1ncc(C(=O)N2CCCO2)c1C1CC1 ZINC000096011082 538612850 /nfs/dbraw/zinc/61/28/50/538612850.db2.gz REGBVNCKLIBYLD-UHFFFAOYSA-N 0 0 249.314 2.119 50 0 BEAARN NC(=O)c1cc(Cl)c(F)c(Cl)c1 ZINC000263623348 181289192 /nfs/dbraw/zinc/28/91/92/181289192.db2.gz GSHSOFKGNRSPMV-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN CC(C)CCc1nc(Cn2cncn2)cs1 ZINC000075092336 356816032 /nfs/dbraw/zinc/81/60/32/356816032.db2.gz RFLWNDQJXCJSEV-UHFFFAOYSA-N 0 0 236.344 2.372 50 0 BEAARN CCC[C@@H](C)NC(=O)NCc1ccn(C)c1 ZINC000075092510 356817071 /nfs/dbraw/zinc/81/70/71/356817071.db2.gz DUNSLSPEJNMMNX-SNVBAGLBSA-N 0 0 223.320 2.013 50 0 BEAARN O=C(OCC[C@H]1CCCO1)c1ccoc1 ZINC000075094498 356819621 /nfs/dbraw/zinc/81/96/21/356819621.db2.gz KWFPKRZRTFJJAJ-SNVBAGLBSA-N 0 0 210.229 2.006 50 0 BEAARN CONC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000075145515 356879213 /nfs/dbraw/zinc/87/92/13/356879213.db2.gz JXGWIUBHSFLJMT-UWVGGRQHSA-N 0 0 240.690 2.057 50 0 BEAARN COc1cc(CC(=O)Nn2cccc2)ccc1C ZINC000075107537 356840201 /nfs/dbraw/zinc/84/02/01/356840201.db2.gz AHFYHPPIGFXAHD-UHFFFAOYSA-N 0 0 244.294 2.118 50 0 BEAARN NC(=O)c1cc(F)c(Cl)c(Cl)c1 ZINC000263623592 181289725 /nfs/dbraw/zinc/28/97/25/181289725.db2.gz IVEXCCKZKUFGAN-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN CCOc1ncnc2c1cnn2-c1ccccc1 ZINC000001603767 357001403 /nfs/dbraw/zinc/00/14/03/357001403.db2.gz HTDVYYOTVRSNHO-UHFFFAOYSA-N 0 0 240.266 2.214 50 0 BEAARN C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012931352 538778118 /nfs/dbraw/zinc/77/81/18/538778118.db2.gz KAIOSRQHKAAEBN-JOYOIKCWSA-N 0 0 237.274 2.182 50 0 BEAARN Cc1cccc(NC(=O)N2CCC[C@H]3C[C@H]32)n1 ZINC000585081873 538793947 /nfs/dbraw/zinc/79/39/47/538793947.db2.gz SWBDBSUULIPSIX-WDEREUQCSA-N 0 0 231.299 2.406 50 0 BEAARN C[C@@H](NC(=O)NC1CC1)c1ccccc1F ZINC000012925561 538778539 /nfs/dbraw/zinc/77/85/39/538778539.db2.gz SVTWKBDBWKRXBM-MRVPVSSYSA-N 0 0 222.263 2.348 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1C ZINC000013024117 538785440 /nfs/dbraw/zinc/78/54/40/538785440.db2.gz SCCZZHWSMQEVST-IUCAKERBSA-N 0 0 235.331 2.312 50 0 BEAARN CC1(C)OC(=O)C[C@@H]1CC(=O)Nc1ccccc1 ZINC000035325918 357161850 /nfs/dbraw/zinc/16/18/50/357161850.db2.gz WDYQWWGMVXNMHB-JTQLQIEISA-N 0 0 247.294 2.357 50 0 BEAARN Cc1cccc(C(=O)Nc2cccnc2)n1 ZINC000024430592 357168877 /nfs/dbraw/zinc/16/88/77/357168877.db2.gz DTRKNYKZOVCWHW-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN CC1(C)Cc2ccccc2N1Cc1cnon1 ZINC000585123543 538797058 /nfs/dbraw/zinc/79/70/58/538797058.db2.gz ROYWPAZAZFFIFT-UHFFFAOYSA-N 0 0 229.283 2.411 50 0 BEAARN COc1cccnc1N[C@H]1COC(C)(C)C1 ZINC000396572977 357481626 /nfs/dbraw/zinc/48/16/26/357481626.db2.gz YWPSFIZQTJNOHF-SECBINFHSA-N 0 0 222.288 2.070 50 0 BEAARN CCCc1ccc(C(=O)NCC2(CO)CC2)cc1 ZINC000049029972 358062202 /nfs/dbraw/zinc/06/22/02/358062202.db2.gz PLHJONDCOSOPAS-UHFFFAOYSA-N 0 0 247.338 2.141 50 0 BEAARN CCC[C@]1(c2ccncc2)C[C@H](C)OC1=O ZINC000075260247 358098965 /nfs/dbraw/zinc/09/89/65/358098965.db2.gz IJCMIHWUFOLHMV-GXFFZTMASA-N 0 0 219.284 2.455 50 0 BEAARN Cc1cncc(C(=O)N[C@H]2CC[C@H](F)C2)c1 ZINC000335911728 358223879 /nfs/dbraw/zinc/22/38/79/358223879.db2.gz VLAQJHAXOPZUDV-QWRGUYRKSA-N 0 0 222.263 2.010 50 0 BEAARN C[C@@H]1c2cccn2CCN1C(=O)C1CCC1 ZINC000032753030 358449709 /nfs/dbraw/zinc/44/97/09/358449709.db2.gz JFYNSPLVPRKYGZ-SNVBAGLBSA-N 0 0 218.300 2.191 50 0 BEAARN NC(=O)c1ccc(Cl)c(F)c1Cl ZINC000263623758 181297651 /nfs/dbraw/zinc/29/76/51/181297651.db2.gz KMUDEHRVZZGOLK-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN NC(=O)c1ccc(NC(=O)c2ccsc2)cc1 ZINC000012274848 181298463 /nfs/dbraw/zinc/29/84/63/181298463.db2.gz MRVJBHRXYYJTMQ-UHFFFAOYSA-N 0 0 246.291 2.099 50 0 BEAARN Cc1c(NC(=O)Cc2ccc(F)cc2)cnn1C ZINC000028575075 358959841 /nfs/dbraw/zinc/95/98/41/358959841.db2.gz WMAHLCGNRFODRU-UHFFFAOYSA-N 0 0 247.273 2.049 50 0 BEAARN CCc1nc(-c2ccccc2)n2cc[nH]c(=O)c12 ZINC000075535416 358938801 /nfs/dbraw/zinc/93/88/01/358938801.db2.gz DRATYBCXOVCJCF-UHFFFAOYSA-N 0 0 239.278 2.252 50 0 BEAARN COc1ccc(OC(C)=O)cc1Br ZINC000082204816 359014673 /nfs/dbraw/zinc/01/46/73/359014673.db2.gz YLZGWUSCGVXOIY-UHFFFAOYSA-N 0 0 245.072 2.383 50 0 BEAARN C[C@@H](N[C@@H](C)c1ccccn1)c1nccn1C ZINC000070443532 359054623 /nfs/dbraw/zinc/05/46/23/359054623.db2.gz RDOGAVVWTQSKIQ-WDEREUQCSA-N 0 0 230.315 2.227 50 0 BEAARN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)no1 ZINC000075895265 359245580 /nfs/dbraw/zinc/24/55/80/359245580.db2.gz AWXRIOMPXPSWGE-UWVGGRQHSA-N 0 0 226.345 2.309 50 0 BEAARN C[C@@H](CC(=O)N1C[C@H](C)C[C@@H](C)C1)n1ccnc1 ZINC000578917663 366673434 /nfs/dbraw/zinc/67/34/34/366673434.db2.gz SMVYFMQBXXEXOV-UPJWGTAASA-N 0 0 249.358 2.339 50 0 BEAARN CC1CC(NC(=O)N[C@H]2C=CCCC2)C1 ZINC000089920161 360048297 /nfs/dbraw/zinc/04/82/97/360048297.db2.gz OSVZIJSCUPNIBR-YVNMAJEFSA-N 0 0 208.305 2.193 50 0 BEAARN O=c1[nH]c(-c2ccoc2)nc2cc(F)c(F)cc12 ZINC000089885146 360043679 /nfs/dbraw/zinc/04/36/79/360043679.db2.gz FGYZCYVMWRYRRY-UHFFFAOYSA-N 0 0 248.188 2.461 50 0 BEAARN CC(C)N1Cc2ccccc2O[C@H](C)C1=O ZINC000064542458 360158265 /nfs/dbraw/zinc/15/82/65/360158265.db2.gz BHYBZJXUDWZLGR-SNVBAGLBSA-N 0 0 219.284 2.205 50 0 BEAARN COc1cc(OC)nc(C(F)(F)F)c1 ZINC000231409293 360181750 /nfs/dbraw/zinc/18/17/50/360181750.db2.gz SFCXZKAIAPAWHI-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN Cc1nscc1C(=O)N1CCCCCC1 ZINC000040757190 360221609 /nfs/dbraw/zinc/22/16/09/360221609.db2.gz SPVXVMYEVBLDOM-UHFFFAOYSA-N 0 0 224.329 2.468 50 0 BEAARN C1=CCC(c2nc([C@@H]3CCOC3)no2)C1 ZINC000095411040 360336718 /nfs/dbraw/zinc/33/67/18/360336718.db2.gz PZJPDUBIOQKXPW-SECBINFHSA-N 0 0 206.245 2.007 50 0 BEAARN CC(C)NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000035971973 360393466 /nfs/dbraw/zinc/39/34/66/360393466.db2.gz WODWKBAQGDDFEU-CQSZACIVSA-N 0 0 246.310 2.094 50 0 BEAARN CCOC(=O)c1ccc(C(F)(F)F)nc1F ZINC000385893726 360439916 /nfs/dbraw/zinc/43/99/16/360439916.db2.gz DMXZOLOBJIVSBB-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN CO[C@@H]1CCC[C@H](n2nnc3ccccc32)O1 ZINC000005356365 360487699 /nfs/dbraw/zinc/48/76/99/360487699.db2.gz PAKSAYRGTYTQEJ-NEPJUHHUSA-N 0 0 233.271 2.103 50 0 BEAARN COCCOc1ccc2ncnc(Cl)c2c1 ZINC000115031279 360461365 /nfs/dbraw/zinc/46/13/65/360461365.db2.gz ZOHMQXJORBAWKE-UHFFFAOYSA-N 0 0 238.674 2.308 50 0 BEAARN O=C(NC(=S)Nc1ccccc1)c1ccco1 ZINC000003848456 219808670 /nfs/dbraw/zinc/80/86/70/219808670.db2.gz PESKOEZSZSPDHG-UHFFFAOYSA-N 0 0 246.291 2.406 50 0 BEAARN NC(=O)c1cccc(NC(=O)CC2CCCC2)c1 ZINC000010030917 181304541 /nfs/dbraw/zinc/30/45/41/181304541.db2.gz UCOQKTNKYDPWCM-UHFFFAOYSA-N 0 0 246.310 2.304 50 0 BEAARN O=C(c1cccc2[nH]ccc21)N1CCSCC1 ZINC000036163412 360688044 /nfs/dbraw/zinc/68/80/44/360688044.db2.gz VMXJUXQWRDPNBW-UHFFFAOYSA-N 0 0 246.335 2.357 50 0 BEAARN NC(=O)c1cccc(OC2CCCC2)c1 ZINC000089780675 181305785 /nfs/dbraw/zinc/30/57/85/181305785.db2.gz PNFZKAGFQRXREM-UHFFFAOYSA-N 0 0 205.257 2.107 50 0 BEAARN NC(=O)c1ccccc1OCCc1ccccc1 ZINC000010328460 181306385 /nfs/dbraw/zinc/30/63/85/181306385.db2.gz NVEVENIZACBDDO-UHFFFAOYSA-N 0 0 241.290 2.407 50 0 BEAARN NC(=O)c1cncc(/C=C/c2ccccc2)c1 ZINC000065526939 181308878 /nfs/dbraw/zinc/30/88/78/181308878.db2.gz RNBHLAYXSDMPLM-VOTSOKGWSA-N 0 0 224.263 2.351 50 0 BEAARN Clc1nc2c(c(Cl)n1)CCS2 ZINC000230504834 200730039 /nfs/dbraw/zinc/73/00/39/200730039.db2.gz DPBDPQUUPYZMGS-UHFFFAOYSA-N 0 0 207.085 2.432 50 0 BEAARN NC(=S)COc1ccccc1Cl ZINC000000119902 181316730 /nfs/dbraw/zinc/31/67/30/181316730.db2.gz YVAJKXSZBMTZMX-UHFFFAOYSA-N 0 0 201.678 2.005 50 0 BEAARN NC(=S)Cc1c[nH]c2cc(F)ccc12 ZINC000047845004 181316809 /nfs/dbraw/zinc/31/68/09/181316809.db2.gz UUQFKVVCBJJRBH-UHFFFAOYSA-N 0 0 208.261 2.136 50 0 BEAARN NC(=S)Nc1ccc(Br)cc1 ZINC000005785476 181319398 /nfs/dbraw/zinc/31/93/98/181319398.db2.gz MRVQULNOKCOGHC-UHFFFAOYSA-N 0 0 231.118 2.105 50 0 in-vitro BEAARN NC(=S)c1cc(Cl)nc(Cl)c1 ZINC000000162983 181320230 /nfs/dbraw/zinc/32/02/30/181320230.db2.gz QZDZCVBAYMPTBM-UHFFFAOYSA-N 0 0 207.085 2.023 50 0 BEAARN CC(C)c1nnc(NC(=O)c2cccnc2)s1 ZINC000001356293 361058571 /nfs/dbraw/zinc/05/85/71/361058571.db2.gz QEURWAOCGIZPBU-UHFFFAOYSA-N 0 0 248.311 2.309 50 0 BEAARN CC(=O)N1CCC(CCOc2ccncc2)CC1 ZINC000065181086 361161000 /nfs/dbraw/zinc/16/10/00/361161000.db2.gz XULSSXSFCUQPQP-UHFFFAOYSA-N 0 0 248.326 2.109 50 0 BEAARN CNc1nccnc1-c1c(F)cccc1OC ZINC000426674308 200995593 /nfs/dbraw/zinc/99/55/93/200995593.db2.gz SJTBQNSYXNYAOF-UHFFFAOYSA-N 0 0 233.246 2.333 50 0 BEAARN COCC(=O)Nc1cc(Cl)ccc1F ZINC000070225212 361481029 /nfs/dbraw/zinc/48/10/29/361481029.db2.gz KEDQWRKWGAJFJA-UHFFFAOYSA-N 0 0 217.627 2.064 50 0 BEAARN Cn1ccnc1CNc1ccc(F)c(F)c1F ZINC000036804562 361492637 /nfs/dbraw/zinc/49/26/37/361492637.db2.gz PCRSPGAFWMSDJI-UHFFFAOYSA-N 0 0 241.216 2.450 50 0 BEAARN O=C(c1ccco1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041194586 361451265 /nfs/dbraw/zinc/45/12/65/361451265.db2.gz FVODVCOPXMIWGK-GHMZBOCLSA-N 0 0 235.283 2.063 50 0 BEAARN O=C(c1ccco1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041194580 361451743 /nfs/dbraw/zinc/45/17/43/361451743.db2.gz FVODVCOPXMIWGK-WDEREUQCSA-N 0 0 235.283 2.063 50 0 BEAARN O=C1CCC[C@H]1Oc1ccc2ccc(=O)oc2c1 ZINC000224898462 363874142 /nfs/dbraw/zinc/87/41/42/363874142.db2.gz QFUMPNFYILIPHF-GFCCVEGCSA-N 0 0 244.246 2.293 50 0 BEAARN COc1cc(O)c(C(F)F)cc1OC ZINC000214502711 541301434 /nfs/dbraw/zinc/30/14/34/541301434.db2.gz KJJROAAQHXLDOA-UHFFFAOYSA-N 0 0 204.172 2.347 50 0 BEAARN Fc1ccc(Cn2cncn2)c2ncccc12 ZINC000074284900 541314249 /nfs/dbraw/zinc/31/42/49/541314249.db2.gz GBZXGHIIYQFCCJ-UHFFFAOYSA-N 0 0 228.230 2.014 50 0 BEAARN CNc1nc(N2C[C@H](C)C[C@H](C)C2)ncc1F ZINC000725273015 541340625 /nfs/dbraw/zinc/34/06/25/541340625.db2.gz XEASPQSMKUVIFJ-DTORHVGOSA-N 0 0 238.310 2.140 50 0 BEAARN O=Cc1cncc(-c2noc(C3CCC3)n2)c1 ZINC000725273601 541341248 /nfs/dbraw/zinc/34/12/48/541341248.db2.gz ODCCKELCQONUSY-UHFFFAOYSA-N 0 0 229.239 2.212 50 0 BEAARN CC(C)c1nccn1[C@@H]1CCCC[C@H]1O ZINC000037694212 364527696 /nfs/dbraw/zinc/52/76/96/364527696.db2.gz IYRJOXOSRJODCP-GHMZBOCLSA-N 0 0 208.305 2.483 50 0 BEAARN CC1(C)C[C@@H](Nc2cnccn2)C(C)(C)O1 ZINC000272168703 364749764 /nfs/dbraw/zinc/74/97/64/364749764.db2.gz GMADGPMFGQKDLV-SECBINFHSA-N 0 0 221.304 2.235 50 0 BEAARN Cc1cc(C)c(NC(=O)C2=COCCO2)c(C)c1 ZINC000012903909 541486761 /nfs/dbraw/zinc/48/67/61/541486761.db2.gz ZENUXNRIRYLTMC-UHFFFAOYSA-N 0 0 247.294 2.439 50 0 BEAARN Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)on1 ZINC000028575874 541499239 /nfs/dbraw/zinc/49/92/39/541499239.db2.gz PCJZXKDHLBYRDP-DTORHVGOSA-N 0 0 222.288 2.101 50 0 BEAARN CC(C)(C)[C@@]1(O)COc2ccccc2O1 ZINC000004566058 368369509 /nfs/dbraw/zinc/36/95/09/368369509.db2.gz VPANZLLRKNSFHJ-GFCCVEGCSA-N 0 0 208.257 2.193 50 0 BEAARN O=C1NCCS[C@H]1c1ccccc1Cl ZINC000019878368 368370676 /nfs/dbraw/zinc/37/06/76/368370676.db2.gz CTBPEEKWIHCWEV-VIFPVBQESA-N 0 0 227.716 2.244 50 0 BEAARN Cc1nnc2n1N=C(c1ccccc1)SC2 ZINC000019861629 368371246 /nfs/dbraw/zinc/37/12/46/368371246.db2.gz NQYKTMLMUSBNIB-UHFFFAOYSA-N 0 0 230.296 2.043 50 0 BEAARN COP(=O)(CC(=O)c1ccccc1F)OC ZINC000059027984 368334011 /nfs/dbraw/zinc/33/40/11/368334011.db2.gz ZSEBUGQVRKZURV-UHFFFAOYSA-N 0 0 246.174 2.494 50 0 BEAARN Nc1c(O)cc(F)c(Br)c1F ZINC000216301261 368362335 /nfs/dbraw/zinc/36/23/35/368362335.db2.gz YRGFNYUNMJRWRV-UHFFFAOYSA-N 0 0 224.004 2.015 50 0 BEAARN COc1ccc(OC)c(OC)c1Cl ZINC000196664553 368398490 /nfs/dbraw/zinc/39/84/90/368398490.db2.gz LAKKTEWECMKSJS-UHFFFAOYSA-N 0 0 202.637 2.366 50 0 BEAARN COc1ccc(Cl)cc1-c1nc(CO)c[nH]1 ZINC000036427499 368376438 /nfs/dbraw/zinc/37/64/38/368376438.db2.gz IKCXUWHPJPTIPL-UHFFFAOYSA-N 0 0 238.674 2.231 50 0 BEAARN C[S@](=N)(=O)c1ccc(Br)cc1 ZINC000137727865 368389285 /nfs/dbraw/zinc/38/92/85/368389285.db2.gz VFSHUOASIOCCAA-NSHDSACASA-N 0 0 234.118 2.485 50 0 BEAARN O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCO1 ZINC000058402074 368510785 /nfs/dbraw/zinc/51/07/85/368510785.db2.gz SZEUGIHAAVLXED-LBPRGKRZSA-N 0 0 242.278 2.352 50 0 BEAARN C=Cc1c(Br)cc[nH]c1=O ZINC000584884039 369012943 /nfs/dbraw/zinc/01/29/43/369012943.db2.gz VMDNACBOMPHTRF-UHFFFAOYSA-N 0 0 200.035 2.193 50 0 BEAARN C=Cc1cncc(Br)c1C(=O)OC ZINC000575447688 369027411 /nfs/dbraw/zinc/02/74/11/369027411.db2.gz GAOSCZWEHVVWDE-UHFFFAOYSA-N 0 0 242.072 2.274 50 0 BEAARN O=c1c2ncccc2ncn1[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000584884131 369032686 /nfs/dbraw/zinc/03/26/86/369032686.db2.gz SUOODTPOPPJQOB-JFGNBEQYSA-N 0 0 241.294 2.153 50 0 BEAARN CC(C)C[C@H](O)C(=O)N1CCC2(CCCC2)C1 ZINC000584895252 369041747 /nfs/dbraw/zinc/04/17/47/369041747.db2.gz RQGCAYDLSZMIHR-LBPRGKRZSA-N 0 0 239.359 2.186 50 0 BEAARN O=C(c1ccc(O)cc1F)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000584898298 369044961 /nfs/dbraw/zinc/04/49/61/369044961.db2.gz SZZZUKVPAWOIKW-AOOOYVTPSA-N 0 0 249.285 2.403 50 0 BEAARN O=C(CCc1cn[nH]c1)N1CCC2(CCCC2)C1 ZINC000584897259 369045652 /nfs/dbraw/zinc/04/56/52/369045652.db2.gz WHZMYFUEXHENHC-UHFFFAOYSA-N 0 0 247.342 2.135 50 0 BEAARN Cn1cc(/C=C/C(=O)NCC2CCCCC2)cn1 ZINC000009478867 370507427 /nfs/dbraw/zinc/50/74/27/370507427.db2.gz SZRNTFJBEUSAMD-BQYQJAHWSA-N 0 0 247.342 2.130 50 0 BEAARN CCCCCC[C@H](C)n1[nH]c(=O)cc1N ZINC000002411117 370632352 /nfs/dbraw/zinc/63/23/52/370632352.db2.gz PNQUBAGJEIBGHU-VIFPVBQESA-N 0 0 211.309 2.290 50 0 BEAARN CCNC(=O)N1CCCC[C@H]1CCOC(C)C ZINC000078806327 371140441 /nfs/dbraw/zinc/14/04/41/371140441.db2.gz FMKSZZJFLHCTLD-LBPRGKRZSA-N 0 0 242.363 2.386 50 0 BEAARN NNC(=S)c1cc(Cl)cc(Cl)c1 ZINC000000172776 181516506 /nfs/dbraw/zinc/51/65/06/181516506.db2.gz YHXZPVDPHZSIET-UHFFFAOYSA-N 0 0 221.112 2.132 50 0 BEAARN CN(C)Cc1nc(-c2cccc3[nH]ccc32)no1 ZINC000019746010 371186237 /nfs/dbraw/zinc/18/62/37/371186237.db2.gz SMFWTKGNOZNWKB-UHFFFAOYSA-N 0 0 242.282 2.280 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000002526868 181539845 /nfs/dbraw/zinc/53/98/45/181539845.db2.gz JASNXOXPNZWQRV-LBPRGKRZSA-N 0 0 215.252 2.314 50 0 BEAARN CCN(C(=O)NC1CC1)[C@@H](C)c1ccncc1 ZINC000079064562 371179395 /nfs/dbraw/zinc/17/93/95/371179395.db2.gz BFXDAOCBUFRSIG-JTQLQIEISA-N 0 0 233.315 2.337 50 0 BEAARN CCN(C(=O)NC1CC1)[C@H](C)c1ccncc1 ZINC000079064570 371179640 /nfs/dbraw/zinc/17/96/40/371179640.db2.gz BFXDAOCBUFRSIG-SNVBAGLBSA-N 0 0 233.315 2.337 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000000153464 181612366 /nfs/dbraw/zinc/61/23/66/181612366.db2.gz BIOQBKBTOAMMDG-GFCCVEGCSA-N 0 0 215.252 2.314 50 0 BEAARN COC(=O)c1ccnc(N2CCCC[C@H]2C)c1 ZINC000095947632 371358430 /nfs/dbraw/zinc/35/84/30/371358430.db2.gz FBZXMEWNGPEFKT-SNVBAGLBSA-N 0 0 234.299 2.247 50 0 BEAARN Nc1cc(Br)cnc1N1CCCC1 ZINC000040713493 181678085 /nfs/dbraw/zinc/67/80/85/181678085.db2.gz SJQIFANLMKJCOZ-UHFFFAOYSA-N 0 0 242.120 2.027 50 0 BEAARN Nc1cc(F)c(F)cc1OC(F)(F)F ZINC000263623270 181684974 /nfs/dbraw/zinc/68/49/74/181684974.db2.gz GBVVCWFAQCZUPF-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN Nc1cc(F)ccc1OCC(F)(F)F ZINC000012505750 181688269 /nfs/dbraw/zinc/68/82/69/181688269.db2.gz YEGURGWPKJYFKH-UHFFFAOYSA-N 0 0 209.142 2.349 50 0 BEAARN Clc1nccc2nc(N3CCCC3)ncc12 ZINC000020855643 371339015 /nfs/dbraw/zinc/33/90/15/371339015.db2.gz UYXBIVATUWVGFY-UHFFFAOYSA-N 0 0 234.690 2.278 50 0 BEAARN CCc1cc(C(=O)NCc2cccs2)no1 ZINC000021366016 371405406 /nfs/dbraw/zinc/40/54/06/371405406.db2.gz GVFKVWRANRHQRD-UHFFFAOYSA-N 0 0 236.296 2.229 50 0 BEAARN Nc1ccc(Cl)nc1Br ZINC000038537173 181709875 /nfs/dbraw/zinc/70/98/75/181709875.db2.gz OPKKXWUGXHSFQI-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Nc1ccc2c(c1)[C@@H](O)C[C@@H](C(F)(F)F)O2 ZINC000012375138 181730197 /nfs/dbraw/zinc/73/01/97/181730197.db2.gz IALWDZNGRXLZEN-CBAPKCEASA-N 0 0 233.189 2.016 50 0 BEAARN Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000004218311 181765796 /nfs/dbraw/zinc/76/57/96/181765796.db2.gz BQKYYTMQFAWPSS-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN Nc1cn(C2CCCC2)nc1Br ZINC000223248980 181766426 /nfs/dbraw/zinc/76/64/26/181766426.db2.gz MVCHOZVXPIBHNI-UHFFFAOYSA-N 0 0 230.109 2.343 50 0 BEAARN Nc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000020159541 181751114 /nfs/dbraw/zinc/75/11/14/181751114.db2.gz JWIQJDDQUASHKG-UHFFFAOYSA-N 0 0 238.250 2.381 50 0 BEAARN CCN(Cc1ccoc1)C(=O)c1ccncc1[O-] ZINC000096486584 371498079 /nfs/dbraw/zinc/49/80/79/371498079.db2.gz FQYGKLYGBOEJBU-UHFFFAOYSA-N 0 0 246.266 2.043 50 0 BEAARN CCCC[C@@H](C)C(=O)NCC[C@H]1CCCO1 ZINC000225725226 371569976 /nfs/dbraw/zinc/56/99/76/371569976.db2.gz GCEISURFGCZGHV-VXGBXAGGSA-N 0 0 227.348 2.498 50 0 BEAARN COC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000002581473 371604143 /nfs/dbraw/zinc/60/41/43/371604143.db2.gz BTQPMYMMANTZGP-SSDOTTSWSA-N 0 0 214.648 2.280 50 0 BEAARN COCc1noc([C@@H]2C[C@H]2c2cccc(O)c2)n1 ZINC000351182178 371611372 /nfs/dbraw/zinc/61/13/72/371611372.db2.gz KEEMCSFGNTVYFY-WDEREUQCSA-N 0 0 246.266 2.193 50 0 BEAARN Nc1nc2sc3c(c2c(=O)s1)CCCC3 ZINC000000116154 181795586 /nfs/dbraw/zinc/79/55/86/181795586.db2.gz CLDVQGQXZUANQB-UHFFFAOYSA-N 0 0 238.337 2.179 50 0 BEAARN Nc1ncc(Br)cc1-n1cccc1 ZINC000020358035 181797436 /nfs/dbraw/zinc/79/74/36/181797436.db2.gz WCKNBUSVKFPHEW-UHFFFAOYSA-N 0 0 238.088 2.217 50 0 BEAARN Nc1ncc(Cc2ccccc2F)s1 ZINC000002555527 181798240 /nfs/dbraw/zinc/79/82/40/181798240.db2.gz MJWGGQHOCHEUHY-UHFFFAOYSA-N 0 0 208.261 2.455 50 0 BEAARN Nc1ncn(Cc2ccc(Cl)cc2Cl)n1 ZINC000002558431 181806052 /nfs/dbraw/zinc/80/60/52/181806052.db2.gz VHBIHSCNRBKMNC-UHFFFAOYSA-N 0 0 243.097 2.215 50 0 BEAARN Nc1nnc(CCCCc2cccs2)o1 ZINC000002932886 181813806 /nfs/dbraw/zinc/81/38/06/181813806.db2.gz FGPCVZKYSJANRH-UHFFFAOYSA-N 0 0 223.301 2.279 50 0 BEAARN O=C(/C=C/c1cccc(F)c1)NC1CC1 ZINC000000001156 181839748 /nfs/dbraw/zinc/83/97/48/181839748.db2.gz NCOOUEIQXVWKTO-QPJJXVBHSA-N 0 0 205.232 2.118 50 0 in-man BEAARN O=C(COC(=O)c1ccco1)c1cccs1 ZINC000003217695 371920470 /nfs/dbraw/zinc/92/04/70/371920470.db2.gz DCLNXYVZZDMNCP-UHFFFAOYSA-N 0 0 236.248 2.381 50 0 BEAARN O=C(/C=C/c1ccncc1)NCc1ccco1 ZINC000029106949 181844761 /nfs/dbraw/zinc/84/47/61/181844761.db2.gz TVEDQKZYRAHDDP-ONEGZZNKSA-N 0 0 228.251 2.004 50 0 BEAARN O=C1/C(=C/c2ccccc2)N=C2CCCN12 ZINC000003394438 371981294 /nfs/dbraw/zinc/98/12/94/371981294.db2.gz KJHCFZJJOJRFFS-LUAWRHEFSA-N 0 0 212.252 2.062 50 0 BEAARN CC(C)(C)C(=O)COC(=O)c1ccc(O)cc1 ZINC000003315537 371953194 /nfs/dbraw/zinc/95/31/94/371953194.db2.gz XTNXYJJPWAGEKG-UHFFFAOYSA-N 0 0 236.267 2.164 50 0 BEAARN Cc1ccsc1C(=O)N[C@@H](C)Cn1cccn1 ZINC000031391310 372058686 /nfs/dbraw/zinc/05/86/86/372058686.db2.gz DXPSXTHPUFUULI-JTQLQIEISA-N 0 0 249.339 2.072 50 0 BEAARN O=C(C1CC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000032843064 181861906 /nfs/dbraw/zinc/86/19/06/181861906.db2.gz FRMFGQVXEOHBOD-UHFFFAOYSA-N 0 0 243.306 2.418 50 0 BEAARN CCc1ccc(C(=O)Cn2ccsc2=N)cc1 ZINC000003900821 372088067 /nfs/dbraw/zinc/08/80/67/372088067.db2.gz MGFAHTMHQRYOMW-UHFFFAOYSA-N 0 0 246.335 2.474 50 0 BEAARN CCCCN1C(=O)C2=C(CCCC2)[C@@H]1OC ZINC000019799110 168824347 /nfs/dbraw/zinc/82/43/47/168824347.db2.gz RMDVYNKTMPJSLD-ZDUSSCGKSA-N 0 0 223.316 2.472 50 0 BEAARN CC(C)c1nnc(NC(=O)c2ccncc2)s1 ZINC000008048321 372288499 /nfs/dbraw/zinc/28/84/99/372288499.db2.gz VVAQMUQEJWUERQ-UHFFFAOYSA-N 0 0 248.311 2.309 50 0 BEAARN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000008377346 372595260 /nfs/dbraw/zinc/59/52/60/372595260.db2.gz TUKMZQWCGNQTCQ-LLVKDONJSA-N 0 0 241.237 2.014 50 0 BEAARN CC[C@H](C)C(=O)N(CC)c1ccc(OC)nc1 ZINC000067655730 372840323 /nfs/dbraw/zinc/84/03/23/372840323.db2.gz ONTKRRQNQVBUAA-JTQLQIEISA-N 0 0 236.315 2.489 50 0 BEAARN O=C(COc1ccccc1O)N1CCCCCC1 ZINC000000396038 182005023 /nfs/dbraw/zinc/00/50/23/182005023.db2.gz ZBCHWIMVUMQOGC-UHFFFAOYSA-N 0 0 249.310 2.174 50 0 BEAARN O=C(CSC(F)(F)F)Nc1nccs1 ZINC000058279191 182006526 /nfs/dbraw/zinc/00/65/26/182006526.db2.gz NBIBIYUYZRCFAS-UHFFFAOYSA-N 0 0 242.247 2.335 50 0 BEAARN O=C(COc1ccccc1F)NCc1ccco1 ZINC000006123690 182002957 /nfs/dbraw/zinc/00/29/57/182002957.db2.gz COFJXTVZWMERSQ-UHFFFAOYSA-N 0 0 249.241 2.114 50 0 BEAARN O=C(COc1ccccc1)Nc1ccncc1 ZINC000000327343 182003507 /nfs/dbraw/zinc/00/35/07/182003507.db2.gz QGEUSIXVLJZESY-UHFFFAOYSA-N 0 0 228.251 2.099 50 0 BEAARN O=C(CSc1ccccn1)c1ccc[nH]1 ZINC000008390271 182010209 /nfs/dbraw/zinc/01/02/09/182010209.db2.gz DCTCNFFRIOHXTL-UHFFFAOYSA-N 0 0 218.281 2.385 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCc1ccccn1 ZINC000040465307 182013208 /nfs/dbraw/zinc/01/32/08/182013208.db2.gz KHPZWSBCFFODIB-LLVKDONJSA-N 0 0 216.284 2.054 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NC1CCC(CO)CC1 ZINC000097371189 182013439 /nfs/dbraw/zinc/01/34/39/182013439.db2.gz GPZJVQAJCNXXLI-PNESKVBLSA-N 0 0 237.343 2.010 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCc1ccco1 ZINC000040465272 182013996 /nfs/dbraw/zinc/01/39/96/182013996.db2.gz AMAGZYZORFFDSF-SNVBAGLBSA-N 0 0 205.257 2.252 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCC(F)(F)C(F)F ZINC000195580149 182014463 /nfs/dbraw/zinc/01/44/63/182014463.db2.gz UHTVBMSQNKHTTE-SSDOTTSWSA-N 0 0 239.212 2.359 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCCc1cccc(O)c1 ZINC000058129796 182025039 /nfs/dbraw/zinc/02/50/39/182025039.db2.gz WLSDOQLGKJSPIT-LBPRGKRZSA-N 0 0 245.322 2.407 50 0 BEAARN O=C(C[C@H]1C=CCC1)Nc1ccccn1 ZINC000032819166 182024545 /nfs/dbraw/zinc/02/45/45/182024545.db2.gz RLQIYLQZUBGHOR-JTQLQIEISA-N 0 0 202.257 2.376 50 0 BEAARN Cn1c2ccccc2c2c1CC[C@@H](O)C2 ZINC000039332298 372945525 /nfs/dbraw/zinc/94/55/25/372945525.db2.gz HYDDQVSXJYBUSO-SECBINFHSA-N 0 0 201.269 2.028 50 0 BEAARN O=C(Cc1ccc(F)cc1)NCc1ccco1 ZINC000000860294 182035255 /nfs/dbraw/zinc/03/52/55/182035255.db2.gz GLMTYAPEYPOHKB-UHFFFAOYSA-N 0 0 233.242 2.278 50 0 BEAARN O=C(Cc1ccncn1)c1cccc(F)c1 ZINC000141577100 372979004 /nfs/dbraw/zinc/97/90/04/372979004.db2.gz KOJQAPINLXPTSI-UHFFFAOYSA-N 0 0 216.215 2.041 50 0 BEAARN O=C(Cc1cccc2cccnc21)NCC1CC1 ZINC000043805267 182042644 /nfs/dbraw/zinc/04/26/44/182042644.db2.gz LKVQFKHWZKFGQY-UHFFFAOYSA-N 0 0 240.306 2.304 50 0 BEAARN O=C(Cc1ccccc1)Nc1ccccc1CO ZINC000000451661 182043769 /nfs/dbraw/zinc/04/37/69/182043769.db2.gz ZCOCPZDOTUDLSV-UHFFFAOYSA-N 0 0 241.290 2.360 50 0 BEAARN O=C(Nc1nnsc1Cl)c1ccccc1 ZINC000039932557 373062419 /nfs/dbraw/zinc/06/24/19/373062419.db2.gz DMJUZCGPLLSBRH-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN Cn1cc(NC(=O)c2ccc(Cl)s2)cn1 ZINC000040087442 373104204 /nfs/dbraw/zinc/10/42/04/373104204.db2.gz BETDIIWVSGNSFR-UHFFFAOYSA-N 0 0 241.703 2.387 50 0 BEAARN Cc1ccc(NC(=O)N2CCC[C@@H](CO)C2)cc1 ZINC000008924639 373104717 /nfs/dbraw/zinc/10/47/17/373104717.db2.gz VRSLDNXOIZTMPI-GFCCVEGCSA-N 0 0 248.326 2.231 50 0 BEAARN O=C(NC1C2CC3CC(C2)CC1C3)C1CC1 ZINC000000455081 182093167 /nfs/dbraw/zinc/09/31/67/182093167.db2.gz HUQCVXVIHFKLMH-UHFFFAOYSA-N 0 0 219.328 2.337 50 0 BEAARN O=C(NC1=NCCS1)c1ccc(Cl)cc1 ZINC000000513802 182093583 /nfs/dbraw/zinc/09/35/83/182093583.db2.gz BOQSUZFVLCCQFM-UHFFFAOYSA-N 0 0 240.715 2.173 50 0 BEAARN O=C(NC12CC3CC(CC(C3)C1)C2)n1cccn1 ZINC000016973034 182091452 /nfs/dbraw/zinc/09/14/52/182091452.db2.gz BEJVVVQZWAOKTQ-UHFFFAOYSA-N 0 0 245.326 2.410 50 0 BEAARN O=C(NC1CC1)c1nc(-c2ccncc2)cs1 ZINC000039072968 182102897 /nfs/dbraw/zinc/10/28/97/182102897.db2.gz KQGFLLIUQCMDDQ-UHFFFAOYSA-N 0 0 245.307 2.097 50 0 BEAARN O=C(NC1CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000004477918 182096099 /nfs/dbraw/zinc/09/60/99/182096099.db2.gz NLLLVVJKVDDYTD-UHFFFAOYSA-N 0 0 234.343 2.417 50 0 BEAARN O=C(NC1CC1)c1cc(-c2cccs2)on1 ZINC000002803051 182099339 /nfs/dbraw/zinc/09/93/39/182099339.db2.gz SYENTKHGMVKGAQ-UHFFFAOYSA-N 0 0 234.280 2.295 50 0 in-vitro BEAARN COC(=O)CNc1ccc2nc(C)sc2c1 ZINC000040468838 373283701 /nfs/dbraw/zinc/28/37/01/373283701.db2.gz ZZLQTQDOCVULQT-UHFFFAOYSA-N 0 0 236.296 2.190 50 0 BEAARN O=C(NC1CCCC1)c1noc2c1CCCC2 ZINC000000426313 182111200 /nfs/dbraw/zinc/11/12/00/182111200.db2.gz DMOOGSHDZRFNRY-UHFFFAOYSA-N 0 0 234.299 2.226 50 0 BEAARN O=C(NC1CCCC1)c1ccc(F)cc1 ZINC000000146239 182111212 /nfs/dbraw/zinc/11/12/12/182111212.db2.gz WFQBHSJUMYTLOW-UHFFFAOYSA-N 0 0 207.248 2.498 50 0 BEAARN O=C(NC1CCCCC1)c1ccc2n[nH]nc2c1 ZINC000024153851 182112605 /nfs/dbraw/zinc/11/26/05/182112605.db2.gz FIIADICRXKUIHC-UHFFFAOYSA-N 0 0 244.298 2.020 50 0 BEAARN CN(Cc1nccn1C(F)F)C(=O)C1CCC1 ZINC000040497065 373335136 /nfs/dbraw/zinc/33/51/36/373335136.db2.gz DRFZKMNHKSHEJR-UHFFFAOYSA-N 0 0 243.257 2.037 50 0 BEAARN O=C(NC1CCCCCC1)[C@H]1CCCO1 ZINC000000476365 182114886 /nfs/dbraw/zinc/11/48/86/182114886.db2.gz ZGUYRRJIPUWQFX-LLVKDONJSA-N 0 0 211.305 2.004 50 0 BEAARN O=C(NCC(F)(F)F)c1cccnc1Cl ZINC000019433387 182125126 /nfs/dbraw/zinc/12/51/26/182125126.db2.gz XRGFFYVUUQYOTC-UHFFFAOYSA-N 0 0 238.596 2.027 50 0 BEAARN O=C(NCC1CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000032909819 182139753 /nfs/dbraw/zinc/13/97/53/182139753.db2.gz HJTHBOAIZNDCBR-UHFFFAOYSA-N 0 0 241.294 2.217 50 0 BEAARN O=C(NCC1CC1)c1ccccc1Cl ZINC000000100846 182141940 /nfs/dbraw/zinc/14/19/40/182141940.db2.gz BHXAAEUEBCWBGJ-UHFFFAOYSA-N 0 0 209.676 2.480 50 0 BEAARN O=C(NCC1CCCCC1)c1cccnc1 ZINC000004858693 182146324 /nfs/dbraw/zinc/14/63/24/182146324.db2.gz VFWYAQNRJZKZEN-UHFFFAOYSA-N 0 0 218.300 2.392 50 0 BEAARN O=C(NCC1CCCCC1)C1CCOCC1 ZINC000071186195 182146366 /nfs/dbraw/zinc/14/63/66/182146366.db2.gz NBGAERCGAKGQKG-UHFFFAOYSA-N 0 0 225.332 2.110 50 0 BEAARN O=C(NCCC1CC1)NCC[C@H]1CCCCO1 ZINC000097055109 182152687 /nfs/dbraw/zinc/15/26/87/182152687.db2.gz KMKHVTANTJNZME-GFCCVEGCSA-N 0 0 240.347 2.045 50 0 BEAARN O=C(NCCC1CC1)NCC[C@@H]1CCCCO1 ZINC000097055105 182153721 /nfs/dbraw/zinc/15/37/21/182153721.db2.gz KMKHVTANTJNZME-LBPRGKRZSA-N 0 0 240.347 2.045 50 0 BEAARN O=C(NCCc1ccccn1)c1ccccc1F ZINC000037485827 182205743 /nfs/dbraw/zinc/20/57/43/182205743.db2.gz MZPAFXPUVJZHFR-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCC[C@@H]1CCCO1)[C@@H]1C[C@H]1c1ccco1 ZINC000089794478 182199306 /nfs/dbraw/zinc/19/93/06/182199306.db2.gz QIEGNWXQQIJIHU-QJPTWQEYSA-N 0 0 249.310 2.068 50 0 BEAARN O=C(NCC[C@@H](O)c1ccoc1)[C@H]1CC=CCC1 ZINC000090613056 182199657 /nfs/dbraw/zinc/19/96/57/182199657.db2.gz ZAQSDYXSFSRWBD-WCQYABFASA-N 0 0 249.310 2.176 50 0 BEAARN O=C(NCCc1ccc(F)cc1)c1ccco1 ZINC000000339915 182203342 /nfs/dbraw/zinc/20/33/42/182203342.db2.gz GSMVTQDRELNXRQ-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1ccccc1F)c1ccncc1 ZINC000018826169 182204264 /nfs/dbraw/zinc/20/42/64/182204264.db2.gz LVGRWFHCMPFYPO-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccccn1)[C@H]1CC=CCC1 ZINC000040476498 182205398 /nfs/dbraw/zinc/20/53/98/182205398.db2.gz IJXCDZRFZCLRKH-LBPRGKRZSA-N 0 0 230.311 2.097 50 0 BEAARN O=C(NCCc1ccco1)c1ccc(Cl)o1 ZINC000012918143 182207837 /nfs/dbraw/zinc/20/78/37/182207837.db2.gz BYIKRIHSNLGWJV-UHFFFAOYSA-N 0 0 239.658 2.499 50 0 BEAARN O=C(NCCc1ccsc1)c1ccncc1 ZINC000036395765 182210829 /nfs/dbraw/zinc/21/08/29/182210829.db2.gz BCGQCBPZIBHYFE-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN O=C(NC[C@@H]1CC12CC2)c1sccc1F ZINC000334847697 182222151 /nfs/dbraw/zinc/22/21/51/182222151.db2.gz PCBPXCFWUZRBHI-ZETCQYMHSA-N 0 0 225.288 2.417 50 0 BEAARN O=C(NC[C@@H]1CC=CCC1)[C@H]1CC1(F)F ZINC000294770547 182222940 /nfs/dbraw/zinc/22/29/40/182222940.db2.gz QXBIPSVSCQQLKA-RKDXNWHRSA-N 0 0 215.243 2.114 50 0 BEAARN O=C1COc2ccc(-c3cscn3)cc2N1 ZINC000041104770 374110134 /nfs/dbraw/zinc/11/01/34/374110134.db2.gz YAMJTRADUJUKES-UHFFFAOYSA-N 0 0 232.264 2.141 50 0 BEAARN O=C(c1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041194604 374119179 /nfs/dbraw/zinc/11/91/79/374119179.db2.gz CVTYJDOOFJNMQB-UONOGXRCSA-N 0 0 245.322 2.470 50 0 BEAARN O=C(CCOc1ccccc1)Nc1cccnc1 ZINC000009364472 374104274 /nfs/dbraw/zinc/10/42/74/374104274.db2.gz GKBDRAVRWIOTGY-UHFFFAOYSA-N 0 0 242.278 2.489 50 0 BEAARN O=C(NC[C@@H]1C[C@H]1c1ccccc1)NC1CC1 ZINC000089827971 182230595 /nfs/dbraw/zinc/23/05/95/182230595.db2.gz SIXZOAQDUXMOHH-AAEUAGOBSA-N 0 0 230.311 2.252 50 0 BEAARN O=C(NC[C@H]1Cc2ccccc2O1)c1ccco1 ZINC000032008061 182248071 /nfs/dbraw/zinc/24/80/71/182248071.db2.gz RSZAUJYHDAFSQT-LLVKDONJSA-N 0 0 243.262 2.013 50 0 BEAARN O=C(NCc1cc(F)cc(F)c1)c1cccnc1 ZINC000030163244 182248863 /nfs/dbraw/zinc/24/88/63/182248863.db2.gz JYVVIMJNQFISPF-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1ccccn1 ZINC000005466696 182250063 /nfs/dbraw/zinc/25/00/63/182250063.db2.gz NZNPYKWNAVHQQQ-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccc(F)cc1)NCC1CC1 ZINC000025683285 182250098 /nfs/dbraw/zinc/25/00/98/182250098.db2.gz WVAALGOTSQFGHI-UHFFFAOYSA-N 0 0 222.263 2.035 50 0 BEAARN O=C(NCc1ccccc1)NCc1ccccn1 ZINC000009336402 182255400 /nfs/dbraw/zinc/25/54/00/182255400.db2.gz RUOHNDITJXYSSQ-UHFFFAOYSA-N 0 0 241.294 2.081 50 0 BEAARN O=C(NCc1ccco1)c1ccc(F)cc1F ZINC000006889229 182263130 /nfs/dbraw/zinc/26/31/30/182263130.db2.gz MJCGGRUSJWVJBB-UHFFFAOYSA-N 0 0 237.205 2.488 50 0 BEAARN CC(=O)Nc1nnc(-c2cc3ccccc3o2)o1 ZINC000009828011 374250956 /nfs/dbraw/zinc/25/09/56/374250956.db2.gz IBEYUZLZZGQMLD-UHFFFAOYSA-N 0 0 243.222 2.441 50 0 BEAARN O=C(CCc1ccccc1)NCC(F)(F)F ZINC000042236830 374256714 /nfs/dbraw/zinc/25/67/14/374256714.db2.gz IARDRLXTNBMSHB-UHFFFAOYSA-N 0 0 231.217 2.298 50 0 BEAARN O=C(NCc1cccs1)c1cccnc1 ZINC000000475883 182264650 /nfs/dbraw/zinc/26/46/50/182264650.db2.gz WGHOWGDZGJLRBY-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1ccco1)NCc1ccccc1 ZINC000009253631 182255720 /nfs/dbraw/zinc/25/57/20/182255720.db2.gz OQYFUSINRCJTAJ-UHFFFAOYSA-N 0 0 230.267 2.279 50 0 BEAARN O=C(NCc1ccccc1F)C1CCC1 ZINC000021269897 182256634 /nfs/dbraw/zinc/25/66/34/182256634.db2.gz NAXGNNUSQVBYOF-UHFFFAOYSA-N 0 0 207.248 2.242 50 0 BEAARN O=C(NCc1cccnc1)c1cccc(F)c1 ZINC000000904096 182261271 /nfs/dbraw/zinc/26/12/71/182261271.db2.gz UOAGYEZXITWNMO-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccoc1)[C@H]1CCC(F)(F)C1 ZINC000336438722 182266475 /nfs/dbraw/zinc/26/64/75/182266475.db2.gz PXBGDDLWYDNWJD-VIFPVBQESA-N 0 0 229.226 2.331 50 0 BEAARN O=C(NCc1nc2ccccc2[nH]1)c1ccco1 ZINC000000508336 182272491 /nfs/dbraw/zinc/27/24/91/182272491.db2.gz WFEIYWNIMQWEHE-UHFFFAOYSA-N 0 0 241.250 2.086 50 0 BEAARN O=C(NO[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000058330486 182284368 /nfs/dbraw/zinc/28/43/68/182284368.db2.gz RRPYJEFYXYUWSC-LLVKDONJSA-N 0 0 239.246 2.014 50 0 BEAARN OCCSCc1ccc(-c2cn[nH]c2)cc1 ZINC000426420132 206046906 /nfs/dbraw/zinc/04/69/06/206046906.db2.gz MWDBMQSVDRHKEV-UHFFFAOYSA-N 0 0 234.324 2.302 50 0 BEAARN C[C@H](O)c1nc2ccc(-c3cnn(C)c3)cc2[nH]1 ZINC000426428745 206047866 /nfs/dbraw/zinc/04/78/66/206047866.db2.gz INHIVLGELXDUIJ-QMMMGPOBSA-N 0 0 242.282 2.017 50 0 BEAARN O=C(N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCO1 ZINC000031036695 182287305 /nfs/dbraw/zinc/28/73/05/182287305.db2.gz OVPSWWHKGXDZRQ-KGLIPLIRSA-N 0 0 245.322 2.433 50 0 BEAARN O=C(N[C@@H]1CCCc2occc21)c1ccncc1 ZINC000012874336 182303032 /nfs/dbraw/zinc/30/30/32/182303032.db2.gz ZGGHFTYPFIEUPY-GFCCVEGCSA-N 0 0 242.278 2.482 50 0 BEAARN CCCCNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000010023600 168862421 /nfs/dbraw/zinc/86/24/21/168862421.db2.gz CSYJTTONDUVXDS-UHFFFAOYSA-N 0 0 246.310 2.101 50 0 BEAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000001054246 182300065 /nfs/dbraw/zinc/30/00/65/182300065.db2.gz XVIUKCDSHXKHEU-KGLIPLIRSA-N 0 0 245.322 2.359 50 0 BEAARN CNc1ncnc2c1cnn2CC1CCCCC1 ZINC000194430795 206089607 /nfs/dbraw/zinc/08/96/07/206089607.db2.gz ILFSUJYXUCEFKG-UHFFFAOYSA-N 0 0 245.330 2.448 50 0 BEAARN CCCCNC(=O)c1cccnc1Cl ZINC000005712693 168864511 /nfs/dbraw/zinc/86/45/11/168864511.db2.gz LBORWQKGAKVTME-UHFFFAOYSA-N 0 0 212.680 2.265 50 0 BEAARN CCCCNC(=O)c1nn(CC)cc1Cl ZINC000028222688 168865122 /nfs/dbraw/zinc/86/51/22/168865122.db2.gz OSGKLBGRLDECFK-UHFFFAOYSA-N 0 0 229.711 2.086 50 0 BEAARN O=C(N[C@H]1CCCc2occc21)c1cccnc1 ZINC000012870657 182335108 /nfs/dbraw/zinc/33/51/08/182335108.db2.gz DUVWQSXTYLZJJE-LBPRGKRZSA-N 0 0 242.278 2.482 50 0 BEAARN O=C(Nc1ccc(-n2cccn2)nc1)C1CCC1 ZINC000012545735 182351086 /nfs/dbraw/zinc/35/10/86/182351086.db2.gz PFBMPEQADNTHHT-UHFFFAOYSA-N 0 0 242.282 2.006 50 0 BEAARN O=C(Nc1cc[nH]n1)[C@H]1C[C@@H]1c1ccccc1 ZINC000068440518 182351178 /nfs/dbraw/zinc/35/11/78/182351178.db2.gz FYKXVAXNLRZOPO-MNOVXSKESA-N 0 0 227.267 2.152 50 0 BEAARN O=C(Nc1ccc(Br)cn1)C1CC1 ZINC000000053260 182352796 /nfs/dbraw/zinc/35/27/96/182352796.db2.gz GACXRAMFHQCJTK-UHFFFAOYSA-N 0 0 241.088 2.193 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)c1csnn1 ZINC000000106090 182353516 /nfs/dbraw/zinc/35/35/16/182353516.db2.gz LEVOVHCXPWAGFR-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=C(Nc1ccc(Cl)cn1)C1CCC1 ZINC000016579894 182353745 /nfs/dbraw/zinc/35/37/45/182353745.db2.gz PSQWNQHUTOHSRT-UHFFFAOYSA-N 0 0 210.664 2.474 50 0 BEAARN O=C(Nc1ccc(F)cc1)N1CCSCC1 ZINC000048683139 182355152 /nfs/dbraw/zinc/35/51/52/182355152.db2.gz GDHADNPAYFEKTD-UHFFFAOYSA-N 0 0 240.303 2.406 50 0 BEAARN O=C(Nc1cc(-c2ccccn2)no1)C1CC1 ZINC000065152753 182346829 /nfs/dbraw/zinc/34/68/29/182346829.db2.gz AWGZLHBYHXPCOT-UHFFFAOYSA-N 0 0 229.239 2.085 50 0 BEAARN O=C(Nc1cc(F)cc(F)c1)C(F)(F)F ZINC000082277899 182350166 /nfs/dbraw/zinc/35/01/66/182350166.db2.gz RKFHPNIZMPQLFM-UHFFFAOYSA-N 0 0 225.116 2.466 50 0 BEAARN O=C(Nc1ccc2[nH]cnc2c1)c1ccco1 ZINC000001260787 182367330 /nfs/dbraw/zinc/36/73/30/182367330.db2.gz TVBFOFWDKKVDRV-UHFFFAOYSA-N 0 0 227.223 2.408 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1ncccn1 ZINC000072446762 182368562 /nfs/dbraw/zinc/36/85/62/182368562.db2.gz PZOKXEHBJPNUJB-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc2c(c1)CCC2)C1=COCCO1 ZINC000005611295 182361957 /nfs/dbraw/zinc/36/19/57/182361957.db2.gz DSHBTXYOZGBNRT-UHFFFAOYSA-N 0 0 245.278 2.002 50 0 BEAARN O=C(Nc1cccc(Cl)c1)N1CCOCC1 ZINC000000095115 182368639 /nfs/dbraw/zinc/36/86/39/182368639.db2.gz LUNHYLVUBLLZMK-UHFFFAOYSA-N 0 0 240.690 2.204 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1ccc(=O)[nH]c1 ZINC000014094586 182367910 /nfs/dbraw/zinc/36/79/10/182367910.db2.gz QTPQNACBAMYELF-UHFFFAOYSA-N 0 0 248.669 2.281 50 0 BEAARN O=C(Nc1ccccc1Cl)c1ccc(=O)[nH]c1 ZINC000020298449 182378935 /nfs/dbraw/zinc/37/89/35/182378935.db2.gz AKTYJCRNZNLSSH-UHFFFAOYSA-N 0 0 248.669 2.281 50 0 BEAARN O=C(Nc1ccccc1Cl)c1cnsn1 ZINC000000613613 182378984 /nfs/dbraw/zinc/37/89/84/182378984.db2.gz PZXGUFSRBZMHKW-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=C(Nc1ccccc1CO)c1ccco1 ZINC000000336575 182378566 /nfs/dbraw/zinc/37/85/66/182378566.db2.gz FIVWJYQOIBNCKH-UHFFFAOYSA-N 0 0 217.224 2.024 50 0 BEAARN O=C(Nc1ccccc1Cl)c1ncccn1 ZINC000072437850 182379433 /nfs/dbraw/zinc/37/94/33/182379433.db2.gz REQKTSZIULTNOH-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cn[nH]c1)c1ccc(Cl)cc1F ZINC000035237881 182392663 /nfs/dbraw/zinc/39/26/63/182392663.db2.gz YRVSCVNLDHBJNP-UHFFFAOYSA-N 0 0 239.637 2.455 50 0 BEAARN O=C(Nc1ccccc1O)c1ccncc1 ZINC000005772016 182380485 /nfs/dbraw/zinc/38/04/85/182380485.db2.gz RJTOQJYONLWMHJ-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1ccccc1O)c1ccco1 ZINC000000233274 182380592 /nfs/dbraw/zinc/38/05/92/182380592.db2.gz FXJSAZHLFUMQLC-UHFFFAOYSA-N 0 0 203.197 2.238 50 0 BEAARN O=C(Nc1ccccn1)[C@H]1CC=CCC1 ZINC000012538193 182381859 /nfs/dbraw/zinc/38/18/59/182381859.db2.gz YKSUCZHFZGUTOB-JTQLQIEISA-N 0 0 202.257 2.376 50 0 BEAARN O=C(Nc1cccnc1)c1ccc(F)cc1 ZINC000000854690 182383771 /nfs/dbraw/zinc/38/37/71/182383771.db2.gz AILCVPMYLXWTCO-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1cccnc1)Nc1ccccn1 ZINC000000279582 182383799 /nfs/dbraw/zinc/38/37/99/182383799.db2.gz DFJGLRLNQAOGLW-UHFFFAOYSA-N 0 0 214.228 2.121 50 0 BEAARN O=C(Nc1cccnc1)c1cccnc1Cl ZINC000000999422 182384873 /nfs/dbraw/zinc/38/48/73/182384873.db2.gz ZLNUSEINZFHLBE-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cccnc1)c1ccccc1F ZINC000000040532 182385567 /nfs/dbraw/zinc/38/55/67/182385567.db2.gz RYRCNSJFUMXOGX-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1cncc(Cl)c1)C1CCC1 ZINC000027933914 182392344 /nfs/dbraw/zinc/39/23/44/182392344.db2.gz HTMSFTSNEMYVLM-UHFFFAOYSA-N 0 0 210.664 2.474 50 0 BEAARN O=C(Nc1ccncc1F)N[C@@H]1C=CCCC1 ZINC000097135954 182388258 /nfs/dbraw/zinc/38/82/58/182388258.db2.gz CXUBEYJNNLBUGM-SECBINFHSA-N 0 0 235.262 2.451 50 0 BEAARN O=C(Nc1ccon1)Oc1ccccc1 ZINC000000480094 182388532 /nfs/dbraw/zinc/38/85/32/182388532.db2.gz CKZGOCMWXPDHMH-UHFFFAOYSA-N 0 0 204.185 2.286 50 0 BEAARN O=C(Nc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000002625193 182397930 /nfs/dbraw/zinc/39/79/30/182397930.db2.gz MPAIHQCCOOPREO-SECBINFHSA-N 0 0 248.307 2.414 50 0 BEAARN O=C(Nc1nc[nH]n1)c1ccc2ccccc2c1 ZINC000023142635 182398328 /nfs/dbraw/zinc/39/83/28/182398328.db2.gz ARFFGKQKOFVEAY-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ncnc2[nH]ccc21)c1ccccc1 ZINC000089223891 182401662 /nfs/dbraw/zinc/40/16/62/182401662.db2.gz KXBBZQVIMDGQOM-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1cnns1)C1CCCCCC1 ZINC000225578242 182395841 /nfs/dbraw/zinc/39/58/41/182395841.db2.gz PYLURLRTSUIKFM-UHFFFAOYSA-N 0 0 225.317 2.447 50 0 BEAARN CCCCNS(=O)(=O)c1ccc(F)cc1C ZINC000005234382 168872284 /nfs/dbraw/zinc/87/22/84/168872284.db2.gz OQZYJADDWRBVRZ-UHFFFAOYSA-N 0 0 245.319 2.213 50 0 BEAARN CCCCNc1ccc(-n2nccn2)cc1 ZINC000037128382 168878747 /nfs/dbraw/zinc/87/87/47/168878747.db2.gz XHDDQNMFJJJMRJ-UHFFFAOYSA-N 0 0 216.288 2.479 50 0 BEAARN O=C([O-])[C@@H]([NH2+]C1CC1)c1c[nH]c2ccccc21 ZINC000036047647 182502219 /nfs/dbraw/zinc/50/22/19/182502219.db2.gz BCKDAERGQLSGQB-LBPRGKRZSA-N 0 0 230.267 2.046 50 0 BEAARN O=C([C@@H]1CC=CCC1)N1CCC=C(F)C1 ZINC000272103266 182613392 /nfs/dbraw/zinc/61/33/92/182613392.db2.gz NADIVOVWCRXRCM-SNVBAGLBSA-N 0 0 209.264 2.428 50 0 BEAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCCCC1 ZINC000012535158 182647467 /nfs/dbraw/zinc/64/74/67/182647467.db2.gz WWWDXAUGABQKIY-UHFFFAOYSA-N 0 0 245.282 2.296 50 0 BEAARN O=C(c1ccc(Cl)cc1)N1CCCOC1 ZINC000002591146 182657681 /nfs/dbraw/zinc/65/76/81/182657681.db2.gz OJOUCZPKSSJXIU-UHFFFAOYSA-N 0 0 225.675 2.160 50 0 BEAARN O=C(c1ccc(C(F)F)cc1)N1CCCO1 ZINC000336063743 182658082 /nfs/dbraw/zinc/65/80/82/182658082.db2.gz SDYOOOHTITVLIU-UHFFFAOYSA-N 0 0 227.210 2.402 50 0 BEAARN CCOC(=O)C[C@@H]1COc2cc(C)ccc2N1 ZINC000021155741 170232202 /nfs/dbraw/zinc/23/22/02/170232202.db2.gz AXSCFEXDBMMQFR-SNVBAGLBSA-N 0 0 235.283 2.121 50 0 BEAARN O=C(c1ccnc(OCC2CC2)c1)N1CCCC1 ZINC000244969067 182688463 /nfs/dbraw/zinc/68/84/63/182688463.db2.gz GWXMRHIWJPVFMY-UHFFFAOYSA-N 0 0 246.310 2.106 50 0 BEAARN CCOC(=O)Cc1ccc(N)c(Cl)c1 ZINC000098210069 170235433 /nfs/dbraw/zinc/23/54/33/170235433.db2.gz NHGYQADUGSHIGS-UHFFFAOYSA-N 0 0 213.664 2.028 50 0 BEAARN O=C1c2ccccc2N(Cc2ccccc2)C1=O ZINC000001657402 182712825 /nfs/dbraw/zinc/71/28/25/182712825.db2.gz SIISFRLGYDVIRG-UHFFFAOYSA-N 0 0 237.258 2.416 50 0 in-vivo BEAARN Oc1csc(Nc2ccc(Cl)cc2)n1 ZINC000001476422 182770693 /nfs/dbraw/zinc/77/06/93/182770693.db2.gz XLOJRPBYFPIFAA-UHFFFAOYSA-N 0 0 226.688 2.381 50 0 BEAARN O=C1C[C@@H](c2ccc(F)cc2F)c2c[nH]nc2N1 ZINC000015083339 182777216 /nfs/dbraw/zinc/77/72/16/182777216.db2.gz YYRKUIUQAYBENO-QMMMGPOBSA-N 0 0 249.220 2.162 50 0 BEAARN O=C1NC[C@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000083967374 182814298 /nfs/dbraw/zinc/81/42/98/182814298.db2.gz ZWGMNGIRYITIQN-MRVPVSSYSA-N 0 0 231.173 2.486 50 0 BEAARN O=C1Nc2cc(Cl)cc(C(F)(F)F)c2C1=O ZINC000091368485 182822419 /nfs/dbraw/zinc/82/24/19/182822419.db2.gz CNCGTPCOKUTXNC-UHFFFAOYSA-N 0 0 249.575 2.494 50 0 BEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1Cc1ccccc1 ZINC000017975706 182841544 /nfs/dbraw/zinc/84/15/44/182841544.db2.gz KQVNCFJZEZPYOS-BETUJISGSA-N 0 0 241.290 2.138 50 0 BEAARN O=CNc1ccc2c(c1)-c1ccccc1C2=O ZINC000071404323 182853935 /nfs/dbraw/zinc/85/39/35/182853935.db2.gz PBTITEWFZBZQBD-UHFFFAOYSA-N 0 0 223.231 2.466 50 0 BEAARN O=CN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000000173768 182854241 /nfs/dbraw/zinc/85/42/41/182854241.db2.gz VQXQVNSYZQRVQB-GFCCVEGCSA-N 0 0 214.268 2.291 50 0 BEAARN O=C1Nc2ncccc2O[C@H]1c1ccccc1 ZINC000006750271 182826915 /nfs/dbraw/zinc/82/69/15/182826915.db2.gz WCRBATJQPYIJHF-NSHDSACASA-N 0 0 226.235 2.154 50 0 BEAARN O=C1OCC[C@H]1Sc1nc2ccccc2o1 ZINC000000617913 182832886 /nfs/dbraw/zinc/83/28/86/182832886.db2.gz CWEZJROKUANAEZ-SECBINFHSA-N 0 0 235.264 2.235 50 0 BEAARN CCOC(=O)c1nc(-c2cccs2)oc1N ZINC000082164702 170306341 /nfs/dbraw/zinc/30/63/41/170306341.db2.gz REJVAPPTRPVTHU-UHFFFAOYSA-N 0 0 238.268 2.162 50 0 BEAARN O=P1(Nc2nccs2)CC=CC1 ZINC000000978100 182881844 /nfs/dbraw/zinc/88/18/44/182881844.db2.gz CGCKEWMGMRWUPX-UHFFFAOYSA-N 0 0 200.203 2.403 50 0 BEAARN O=Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1 ZINC000000037746 182865366 /nfs/dbraw/zinc/86/53/66/182865366.db2.gz FIOXJOBCBWJAGW-UHFFFAOYSA-N 0 0 228.203 2.430 50 0 BEAARN O=Cc1ccc(Br)c(F)c1 ZINC000002383961 182866648 /nfs/dbraw/zinc/86/66/48/182866648.db2.gz SWHUROFMIMHWKS-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN O=Cc1cccc(Oc2cnccn2)c1 ZINC000002513125 182871488 /nfs/dbraw/zinc/87/14/88/182871488.db2.gz XBVLRDWQVHJLHH-UHFFFAOYSA-N 0 0 200.197 2.081 50 0 BEAARN O=S(=O)(NC1CCCC1)c1cccc(F)c1 ZINC000010214556 182894987 /nfs/dbraw/zinc/89/49/87/182894987.db2.gz MLXCUFUPUPQBOV-UHFFFAOYSA-N 0 0 243.303 2.047 50 0 BEAARN O=S(=O)(NC1CC1)c1ccc2ccccc2c1 ZINC000000571956 182895026 /nfs/dbraw/zinc/89/50/26/182895026.db2.gz AGQCUUWDALBDLQ-UHFFFAOYSA-N 0 0 247.319 2.281 50 0 BEAARN CCCCS(=O)(=O)NCc1ccccc1C ZINC000072272998 168926214 /nfs/dbraw/zinc/92/62/14/168926214.db2.gz JAYHMQIYJKZXFM-UHFFFAOYSA-N 0 0 241.356 2.215 50 0 BEAARN CCCCSc1nnc(-c2ccco2)n1N ZINC000002695882 168933804 /nfs/dbraw/zinc/93/38/04/168933804.db2.gz LHVANHIUXXAMKF-UHFFFAOYSA-N 0 0 238.316 2.144 50 0 BEAARN O=c1cc(C(F)(F)F)c(Br)c[nH]1 ZINC000038537889 182993670 /nfs/dbraw/zinc/99/36/70/182993670.db2.gz YTZVETQYEBOYJY-UHFFFAOYSA-N 0 0 241.994 2.156 50 0 BEAARN O=c1cc(NC2CCCC2)nc2ccccn12 ZINC000015111243 182994209 /nfs/dbraw/zinc/99/42/09/182994209.db2.gz PDUDMPRSDHLAAF-UHFFFAOYSA-N 0 0 229.283 2.049 50 0 BEAARN O=c1ccc(Br)cn1CC1CCC1 ZINC000085463819 182998464 /nfs/dbraw/zinc/99/84/64/182998464.db2.gz CHPKJIGDFJZLDB-UHFFFAOYSA-N 0 0 242.116 2.411 50 0 BEAARN O=c1ccc(-c2ccc3c(c2)CCCC3)n[nH]1 ZINC000041195310 182998646 /nfs/dbraw/zinc/99/86/46/182998646.db2.gz XPJKVTNWFZFNLE-UHFFFAOYSA-N 0 0 226.279 2.316 50 0 BEAARN O=c1oc(-c2ccc(F)cc2)nn1CC1CCC1 ZINC000170000057 183011770 /nfs/dbraw/zinc/01/17/70/183011770.db2.gz IXPDZGWVVMBZHQ-UHFFFAOYSA-N 0 0 248.257 2.443 50 0 BEAARN O=C1C[C@H](c2ccc(O)cc2)c2c[nH]nc2N1 ZINC000020732790 183025745 /nfs/dbraw/zinc/02/57/45/183025745.db2.gz KEAARDSWPOQPFH-SECBINFHSA-N 0 0 229.239 2.239 50 0 BEAARN OCC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000103466002 183041586 /nfs/dbraw/zinc/04/15/86/183041586.db2.gz KRSDANWQSBFWDS-DAXSKMNVSA-N 0 0 231.339 2.404 50 0 BEAARN OC1C[C@H]2CC[C@@H](C1)N2c1nc2ccccc2o1 ZINC000096034672 183032212 /nfs/dbraw/zinc/03/22/12/183032212.db2.gz VKNDCYOANVAVDK-ZACCUICWSA-N 0 0 244.294 2.320 50 0 BEAARN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)OC ZINC000106836518 168974631 /nfs/dbraw/zinc/97/46/31/168974631.db2.gz JJTVJYIRQKTDEE-TUAOUCFPSA-N 0 0 227.348 2.496 50 0 BEAARN OCC[C@H](NCC(F)(F)F)C1CCCCC1 ZINC000097138155 183097418 /nfs/dbraw/zinc/09/74/18/183097418.db2.gz SGZBAGGEEIKZOD-JTQLQIEISA-N 0 0 239.281 2.470 50 0 BEAARN OCCOc1ccc(F)c(C(F)(F)F)c1 ZINC000114156112 183087361 /nfs/dbraw/zinc/08/73/61/183087361.db2.gz XFFRWTLSTDFEDL-UHFFFAOYSA-N 0 0 224.153 2.216 50 0 BEAARN CCCC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000002168322 169015056 /nfs/dbraw/zinc/01/50/56/169015056.db2.gz FJQCWUDEVCYMRZ-LLVKDONJSA-N 0 0 248.351 2.467 50 0 BEAARN OC[C@@H]1CCCN1c1cc(C(F)(F)F)ccn1 ZINC000078612571 183121079 /nfs/dbraw/zinc/12/10/79/183121079.db2.gz VNOKQVAPGXBPRA-VIFPVBQESA-N 0 0 246.232 2.062 50 0 BEAARN CCCC[C@H](CC)[C@H]1OC(=O)[C@@H](C)O1 ZINC000004578858 169001517 /nfs/dbraw/zinc/00/15/17/169001517.db2.gz OXGGCDPISRUOIL-WCABBAIRSA-N 0 0 200.278 2.491 50 0 BEAARN CCCC[C@H](CC)[C@@H]1OC(=O)[C@@H](C)O1 ZINC000004578860 169001642 /nfs/dbraw/zinc/00/16/42/169001642.db2.gz OXGGCDPISRUOIL-YWVKMMECSA-N 0 0 200.278 2.491 50 0 BEAARN CCCCc1cc(NC(=O)C(C)(C)OC)n[nH]1 ZINC000096483261 169018121 /nfs/dbraw/zinc/01/81/21/169018121.db2.gz OJYUTBLRORDJKM-UHFFFAOYSA-N 0 0 239.319 2.116 50 0 BEAARN OC[C@@H]1CCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000095977453 183123291 /nfs/dbraw/zinc/12/32/91/183123291.db2.gz WNWDHPOQAAXGTN-UWVGGRQHSA-N 0 0 231.299 2.136 50 0 BEAARN OC[C@H]1C=C[C@@H](Nc2ncnc3sccc32)C1 ZINC000095406850 183147562 /nfs/dbraw/zinc/14/75/62/183147562.db2.gz XWDPNPHBDFHNAR-DTWKUNHWSA-N 0 0 247.323 2.040 50 0 BEAARN OC[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000000393351 183153185 /nfs/dbraw/zinc/15/31/85/183153185.db2.gz MZOHGRLIWWBKAN-VIFPVBQESA-N 0 0 201.269 2.265 50 0 BEAARN CCCCn1nc(C)c(C=O)c1Cl ZINC000006507275 169037889 /nfs/dbraw/zinc/03/78/89/169037889.db2.gz AFKLPRXGBKYCOY-UHFFFAOYSA-N 0 0 200.669 2.458 50 0 BEAARN CCCCn1nc2[nH]c(=O)cc(C)c2c1C ZINC000012397831 169038267 /nfs/dbraw/zinc/03/82/67/169038267.db2.gz ZTKOSKLZIZEHOK-UHFFFAOYSA-N 0 0 219.288 2.142 50 0 BEAARN CCCCn1nc(C[C@H](C)CC)nc1CCO ZINC000096142016 169038586 /nfs/dbraw/zinc/03/85/86/169038586.db2.gz HTUOTBBUQCBOSN-LLVKDONJSA-N 0 0 239.363 2.202 50 0 BEAARN CCCCn1ncnc1CCc1c(C)noc1C ZINC000091305481 169039211 /nfs/dbraw/zinc/03/92/11/169039211.db2.gz TZUXXZWQNZFDLP-UHFFFAOYSA-N 0 0 248.330 2.468 50 0 BEAARN CCCCn1nnc(-c2cccc(OC)c2)n1 ZINC000073782313 169039874 /nfs/dbraw/zinc/03/98/74/169039874.db2.gz MOKGELFEXHLJSW-UHFFFAOYSA-N 0 0 232.287 2.149 50 0 BEAARN CCCCn1nnc2cc(C(=O)OC)ccc21 ZINC000095496037 169041201 /nfs/dbraw/zinc/04/12/01/169041201.db2.gz ARZKGLJAFWRYFH-UHFFFAOYSA-N 0 0 233.271 2.018 50 0 BEAARN OCc1ccc(Oc2cccnc2)cc1 ZINC000036904280 183165763 /nfs/dbraw/zinc/16/57/63/183165763.db2.gz PFGJAPMUQQERGB-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN OCc1ccc(OC(F)(F)F)cc1F ZINC000091251976 183166142 /nfs/dbraw/zinc/16/61/42/183166142.db2.gz BBHRDCVRVNBYCO-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 ZINC000005117203 183184672 /nfs/dbraw/zinc/18/46/72/183184672.db2.gz HMMMTSXSWRPUOJ-NSHDSACASA-N 0 0 222.675 2.270 50 0 BEAARN O[C@@H]1C=CSc2nc3ccccc3n21 ZINC000002441926 183186940 /nfs/dbraw/zinc/18/69/40/183186940.db2.gz KPQGNYZDIOWNDF-SECBINFHSA-N 0 0 204.254 2.147 50 0 BEAARN O[C@@H]1CCCC[C@@H]1Nc1cnc2ccccc2n1 ZINC000052017669 183189574 /nfs/dbraw/zinc/18/95/74/183189574.db2.gz FOZZXLCUKUDMOT-QWHCGFSZSA-N 0 0 243.310 2.345 50 0 BEAARN O[C@@H]1CCCC[C@H]1Nc1cnc2ccccc2n1 ZINC000052017666 183191413 /nfs/dbraw/zinc/19/14/13/183191413.db2.gz FOZZXLCUKUDMOT-CHWSQXEVSA-N 0 0 243.310 2.345 50 0 BEAARN O[C@H](CCc1ccncc1)COc1ccccc1 ZINC000008700997 183219792 /nfs/dbraw/zinc/21/97/92/183219792.db2.gz PPGASKBPYAWHDD-CQSZACIVSA-N 0 0 243.306 2.454 50 0 BEAARN O[C@H](CSc1ccccn1)C(F)(F)F ZINC000001390051 183227690 /nfs/dbraw/zinc/22/76/90/183227690.db2.gz LNJBMCJJFXBVIB-ZCFIWIBFSA-N 0 0 223.219 2.097 50 0 BEAARN O[C@H]1/C(=C/c2cccc(F)c2)N2CCC1CC2 ZINC000012416587 183230373 /nfs/dbraw/zinc/23/03/73/183230373.db2.gz QJGWSGNYGCJUDX-RNQWEJQRSA-N 0 0 233.286 2.253 50 0 BEAARN O[C@H]1CC=C[C@@H]1COCc1ccccc1 ZINC000034206535 183230532 /nfs/dbraw/zinc/23/05/32/183230532.db2.gz WACMQXMZXZTKIV-OLZOCXBDSA-N 0 0 204.269 2.140 50 0 BEAARN O[C@@H]1CNc2c1cc(F)cc2Br ZINC000169725899 183209129 /nfs/dbraw/zinc/20/91/29/183209129.db2.gz FOBWYSNIFMNMBO-SSDOTTSWSA-N 0 0 232.052 2.047 50 0 BEAARN O[C@@]1(C(F)(F)F)CC(c2ccccc2)=NO1 ZINC000000185460 183214935 /nfs/dbraw/zinc/21/49/35/183214935.db2.gz MOIAAOCWJASFIO-VIFPVBQESA-N 0 0 231.173 2.062 50 0 BEAARN O[C@H]1CNc2c1cc(Br)cc2F ZINC000169725906 183245296 /nfs/dbraw/zinc/24/52/96/183245296.db2.gz JRXUAEPZZOQRAE-ZETCQYMHSA-N 0 0 232.052 2.047 50 0 BEAARN O[C@]1(C(F)(F)F)CC(c2ccccc2)=NO1 ZINC000000185457 183250452 /nfs/dbraw/zinc/25/04/52/183250452.db2.gz MOIAAOCWJASFIO-SECBINFHSA-N 0 0 231.173 2.062 50 0 BEAARN Oc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000005997167 183264810 /nfs/dbraw/zinc/26/48/10/183264810.db2.gz NQHSTOVKOJAGDM-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN Oc1ccc(I)c(F)c1 ZINC000075843602 183275804 /nfs/dbraw/zinc/27/58/04/183275804.db2.gz CSQWLXZVUXRZFL-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN CCCN(CCC)C(=O)/C=C\c1cnn(C)c1 ZINC000096305197 169140540 /nfs/dbraw/zinc/14/05/40/169140540.db2.gz ZTFQPNCVPNPXHS-SREVYHEPSA-N 0 0 235.331 2.082 50 0 BEAARN Oc1cc(F)cc(I)c1 ZINC000090395213 183259875 /nfs/dbraw/zinc/25/98/75/183259875.db2.gz OGZQPUORKLLIGI-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN CCCN(CCC)C(=O)c1nc(C)ns1 ZINC000096026083 169146325 /nfs/dbraw/zinc/14/63/25/169146325.db2.gz VIBNLBKDIVRNMR-UHFFFAOYSA-N 0 0 227.333 2.109 50 0 BEAARN O=c1cc2[nH][nH]cc-2cc1Br ZINC000084235806 183261879 /nfs/dbraw/zinc/26/18/79/183261879.db2.gz SAMGFFSJTFRHJM-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN CCS(=O)(=O)N[C@@H](c1ccccc1)C(C)C ZINC000048903784 170619588 /nfs/dbraw/zinc/61/95/88/170619588.db2.gz HHBWFFLNMFXESC-GFCCVEGCSA-N 0 0 241.356 2.323 50 0 BEAARN Oc1cnc(Br)c(Cl)c1 ZINC000021981888 183305761 /nfs/dbraw/zinc/30/57/61/183305761.db2.gz DHKTYYVUEJTFHF-UHFFFAOYSA-N 0 0 208.442 2.203 50 0 BEAARN Oc1cccc(CNCc2ccco2)c1 ZINC000004700126 183291413 /nfs/dbraw/zinc/29/14/13/183291413.db2.gz ZMNDFCYQZIPEKE-UHFFFAOYSA-N 0 0 203.241 2.275 50 0 BEAARN O=c1nc(-c2ccccc2)n2cc[nH]cc1-2 ZINC000012879575 183307293 /nfs/dbraw/zinc/30/72/93/183307293.db2.gz YPHLIGIVYATIKO-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN Oc1cccc2c1OC(F)(F)[C@@H](F)O2 ZINC000040449683 183296958 /nfs/dbraw/zinc/29/69/58/183296958.db2.gz ZWAIYCWBNSAJLC-ZETCQYMHSA-N 0 0 206.119 2.052 50 0 BEAARN Oc1cccc2c1O[C@@H](F)C(F)(F)O2 ZINC000040449679 183297149 /nfs/dbraw/zinc/29/71/49/183297149.db2.gz BRVNUIMJAUJHTK-SSDOTTSWSA-N 0 0 206.119 2.052 50 0 BEAARN c1cc(-c2ccc3c(c2)OCCCO3)n[nH]1 ZINC000036047724 183329392 /nfs/dbraw/zinc/32/93/92/183329392.db2.gz NDWLRMUFBIDCLM-UHFFFAOYSA-N 0 0 216.240 2.238 50 0 BEAARN S=C(NCc1ccc(Cl)cc1)NC1CC1 ZINC000013814358 183310923 /nfs/dbraw/zinc/31/09/23/183310923.db2.gz ZISXICXBCVLUQM-UHFFFAOYSA-N 0 0 240.759 2.467 50 0 BEAARN S=C(NC1CC1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000084525473 183311350 /nfs/dbraw/zinc/31/13/50/183311350.db2.gz CWOPSMMWFMVWTI-NEPJUHHUSA-N 0 0 232.352 2.169 50 0 BEAARN S=C(NCc1ccco1)NC1CCCC1 ZINC000000229427 183311712 /nfs/dbraw/zinc/31/17/12/183311712.db2.gz SRRWLTHMTZCVFR-UHFFFAOYSA-N 0 0 224.329 2.186 50 0 BEAARN S=C1N[C@H]2c3ccccc3O[C@@]3(CCC[C@H]23)N1 ZINC000106811925 183312183 /nfs/dbraw/zinc/31/21/83/183312183.db2.gz YXZRFJLFCAQZSY-SUZMYJTESA-N 0 0 246.335 2.094 50 0 BEAARN CCCNC(=O)COc1cccc(C)c1C ZINC000002763582 169231215 /nfs/dbraw/zinc/23/12/15/169231215.db2.gz CNLQDPVLRNGXEQ-UHFFFAOYSA-N 0 0 221.300 2.208 50 0 BEAARN CCCNC(=O)C[C@H]1OCCc2ccsc21 ZINC000084756436 169232851 /nfs/dbraw/zinc/23/28/51/169232851.db2.gz JMKFDONXNAUMRC-SNVBAGLBSA-N 0 0 239.340 2.278 50 0 BEAARN CCCNC(=O)Cc1cn(CC)c2ncccc12 ZINC000065155783 169233355 /nfs/dbraw/zinc/23/33/55/169233355.db2.gz IDCBUOWOFQUKLH-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN CCCN1CNC(=S)N(Cc2ccccc2)C1 ZINC000020171492 169210240 /nfs/dbraw/zinc/21/02/40/169210240.db2.gz KLKUNAPCWMIACG-UHFFFAOYSA-N 0 0 249.383 2.415 50 0 BEAARN CCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000004599400 169212714 /nfs/dbraw/zinc/21/27/14/169212714.db2.gz NSFITNTYVQELKX-UHFFFAOYSA-N 0 0 248.326 2.077 50 0 BEAARN CCCNC(=O)c1cncn1-c1ccccc1 ZINC000012535545 169253493 /nfs/dbraw/zinc/25/34/93/169253493.db2.gz NIZZHEVSKOQBHD-UHFFFAOYSA-N 0 0 229.283 2.012 50 0 BEAARN CCCNC(=O)c1ncoc1-c1ccco1 ZINC000021642138 169253717 /nfs/dbraw/zinc/25/37/17/169253717.db2.gz GDBUSDJCVHVMCS-UHFFFAOYSA-N 0 0 220.228 2.074 50 0 BEAARN CCCNC(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000043025485 169234414 /nfs/dbraw/zinc/23/44/14/169234414.db2.gz SHMOQEKGBASNOJ-LLVKDONJSA-N 0 0 237.303 2.240 50 0 BEAARN CCCNC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000065529158 169235263 /nfs/dbraw/zinc/23/52/63/169235263.db2.gz XKNZWVPDSSQZHN-CYBMUJFWSA-N 0 0 247.342 2.292 50 0 BEAARN CCCNC(=O)NCCSC(C)(C)C ZINC000067087887 169236236 /nfs/dbraw/zinc/23/62/36/169236236.db2.gz CAZKLWFPPBLXET-UHFFFAOYSA-N 0 0 218.366 2.227 50 0 BEAARN CCCNC(=O)Nc1ccc(OC)c(F)c1 ZINC000048451241 169240337 /nfs/dbraw/zinc/24/03/37/169240337.db2.gz GKGWUPGWEPQYSJ-UHFFFAOYSA-N 0 0 226.251 2.366 50 0 BEAARN c1cc(NC2CCCCCCC2)nn2nnnc12 ZINC000071818217 183378611 /nfs/dbraw/zinc/37/86/11/183378611.db2.gz PSZUQZBJKOLXDL-UHFFFAOYSA-N 0 0 246.318 2.044 50 0 BEAARN CCCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC000096192699 169249539 /nfs/dbraw/zinc/24/95/39/169249539.db2.gz YBWUGKMFAKMPEK-AWEZNQCLSA-N 0 0 246.310 2.096 50 0 BEAARN CCCNC(=O)c1ccccc1NC(=O)C(C)C ZINC000023651558 169252602 /nfs/dbraw/zinc/25/26/02/169252602.db2.gz ZSHJIMFZNKNFJS-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN c1[nH]nc2ncnc(NCCc3ccccc3)c12 ZINC000004353492 183394515 /nfs/dbraw/zinc/39/45/15/183394515.db2.gz JMOYUDXVINOCCT-UHFFFAOYSA-N 0 0 239.282 2.008 50 0 BEAARN c1ccc(CCc2nnc([C@@H]3CCCO3)[nH]2)cc1 ZINC000065497671 183395311 /nfs/dbraw/zinc/39/53/11/183395311.db2.gz APHFYBLCDWDJSJ-LBPRGKRZSA-N 0 0 243.310 2.441 50 0 BEAARN c1nc2ncnc(NCCc3ccccc3)c2[nH]1 ZINC000000213800 183395401 /nfs/dbraw/zinc/39/54/01/183395401.db2.gz GPGPFPKQCMKMDY-UHFFFAOYSA-N 0 0 239.282 2.008 50 0 biogenic BEAARN c1cn(Cc2ccccn2)c(-c2ccccn2)n1 ZINC000098018803 183412171 /nfs/dbraw/zinc/41/21/71/183412171.db2.gz CLDYEYADDBDBDQ-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN CCCOc1ccc(C(=O)OCC)c(N)c1 ZINC000005393249 169317206 /nfs/dbraw/zinc/31/72/06/169317206.db2.gz RAWOGGWACPEFMQ-UHFFFAOYSA-N 0 0 223.272 2.234 50 0 BEAARN CCCOC(=O)c1cc(N)ccc1Cl ZINC000009189629 169300352 /nfs/dbraw/zinc/30/03/52/169300352.db2.gz BSBGRZNFZKZGAE-UHFFFAOYSA-N 0 0 213.664 2.489 50 0 BEAARN CCCOC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000064656182 169301299 /nfs/dbraw/zinc/30/12/99/169301299.db2.gz ZXVVUEBFQCHNKB-UHFFFAOYSA-N 0 0 245.278 2.105 50 0 BEAARN CCCOC(=O)c1ncccc1OCCC ZINC000002556896 169301674 /nfs/dbraw/zinc/30/16/74/169301674.db2.gz ZGUCGLNLZXLQTD-UHFFFAOYSA-N 0 0 223.272 2.437 50 0 BEAARN c1[nH]nc2ncnc(Nc3ccccc3)c12 ZINC000002476506 183418861 /nfs/dbraw/zinc/41/88/61/183418861.db2.gz UOIOGRJMBMHOJZ-UHFFFAOYSA-N 0 0 211.228 2.097 50 0 BEAARN CCCOc1ccc(C(=O)OCC)cc1N ZINC000002024049 169317279 /nfs/dbraw/zinc/31/72/79/169317279.db2.gz RTSQWHOFAMQSAF-UHFFFAOYSA-N 0 0 223.272 2.234 50 0 BEAARN CCCOCCOc1cc(C)ccc1N ZINC000014629718 169310111 /nfs/dbraw/zinc/31/01/11/169310111.db2.gz DDERGRIXJVIWJD-UHFFFAOYSA-N 0 0 209.289 2.383 50 0 BEAARN CCCO[C@@H](C)CN1C(=O)c2ccccc2C1=O ZINC000039404087 169311226 /nfs/dbraw/zinc/31/12/26/169311226.db2.gz PBSKZHCWZAKSQT-JTQLQIEISA-N 0 0 247.294 2.098 50 0 BEAARN CCCOc1ccc(=O)n(-c2ccccc2)n1 ZINC000002483283 169316079 /nfs/dbraw/zinc/31/60/79/169316079.db2.gz QTMCUOCHSXQLPY-UHFFFAOYSA-N 0 0 230.267 2.021 50 0 BEAARN CCCNc1c(N)c(=O)oc2ccccc21 ZINC000013879237 169293433 /nfs/dbraw/zinc/29/34/33/169293433.db2.gz NEAMINJJMHOPMB-UHFFFAOYSA-N 0 0 218.256 2.197 50 0 BEAARN CCCNc1nc2ccc(C)cc2c(=O)[nH]1 ZINC000044138740 169297049 /nfs/dbraw/zinc/29/70/49/169297049.db2.gz CDWADKBTZMKABJ-UHFFFAOYSA-N 0 0 217.272 2.053 50 0 BEAARN c1cc(CNc2nc3ccccc3o2)n[nH]1 ZINC000040444296 183461004 /nfs/dbraw/zinc/46/10/04/183461004.db2.gz NGTAFDARCJNLEY-UHFFFAOYSA-N 0 0 214.228 2.163 50 0 BEAARN CCCOc1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000002285677 169321578 /nfs/dbraw/zinc/32/15/78/169321578.db2.gz GTWLTAZTPPGDPL-NSHDSACASA-N 0 0 219.284 2.079 50 0 BEAARN CCCOc1ccc([C@H](C)NC=O)cc1 ZINC000036665002 169321673 /nfs/dbraw/zinc/32/16/73/169321673.db2.gz AQJAKCGUYKMZFO-JTQLQIEISA-N 0 0 207.273 2.282 50 0 BEAARN CCCOc1ccc2c(c1)C(=O)CCO2 ZINC000036928547 169323128 /nfs/dbraw/zinc/32/31/28/169323128.db2.gz JUUODWWOWQQSAM-UHFFFAOYSA-N 0 0 206.241 2.441 50 0 BEAARN CCCOc1cccc(C(=O)NC2CC2)c1 ZINC000013329227 169323813 /nfs/dbraw/zinc/32/38/13/169323813.db2.gz SNRBMMKMMHPOJJ-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN CCCOc1nc2cc(C)c(C)cc2[nH]c1=O ZINC000021356938 169328107 /nfs/dbraw/zinc/32/81/07/169328107.db2.gz JMUXPPNMMWYLNX-UHFFFAOYSA-N 0 0 232.283 2.329 50 0 BEAARN CCCS(=O)(=O)N[C@H](C)c1ccccc1 ZINC000057950394 169333063 /nfs/dbraw/zinc/33/30/63/169333063.db2.gz QZHSWBHQVZONRP-SNVBAGLBSA-N 0 0 227.329 2.077 50 0 BEAARN CCCS(=O)(=O)Nc1ccc(F)cc1F ZINC000008700475 169333903 /nfs/dbraw/zinc/33/39/03/169333903.db2.gz YFZDPIXYOILDMJ-UHFFFAOYSA-N 0 0 235.255 2.117 50 0 BEAARN CCC[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000006779186 169354262 /nfs/dbraw/zinc/35/42/62/169354262.db2.gz MJSJEZGTTOTMOR-SSDOTTSWSA-N 0 0 227.333 2.475 50 0 BEAARN c1ccn(-c2ccnc(-c3cccnc3)n2)c1 ZINC000001390035 183490116 /nfs/dbraw/zinc/49/01/16/183490116.db2.gz BWZWTGXEUIUZEX-UHFFFAOYSA-N 0 0 222.251 2.329 50 0 BEAARN c1coc(-c2nc(-c3ccncc3)no2)c1 ZINC000000078856 183504673 /nfs/dbraw/zinc/50/46/73/183504673.db2.gz FEDNOYAGHHUWBI-UHFFFAOYSA-N 0 0 213.196 2.392 50 0 BEAARN CC(C)(C)OC(=O)N1C(=O)CC12CCCC2 ZINC000039170252 166643768 /nfs/dbraw/zinc/64/37/68/166643768.db2.gz QQHXHYOTDZRDSM-UHFFFAOYSA-N 0 0 225.288 2.467 50 0 BEAARN c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000000198994 183539660 /nfs/dbraw/zinc/53/96/60/183539660.db2.gz KDJMFZQAVZKLCW-UHFFFAOYSA-N 0 0 230.296 2.218 50 0 BEAARN CCC[C@@H]1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000014736762 169443025 /nfs/dbraw/zinc/44/30/25/169443025.db2.gz ANQXUOWHXHTVMF-LBPRGKRZSA-N 0 0 246.310 2.216 50 0 BEAARN CCC[C@H](C)NC(=O)Cn1cnc2ccccc21 ZINC000007779917 169492627 /nfs/dbraw/zinc/49/26/27/169492627.db2.gz SZWORUGEHYIJSF-NSHDSACASA-N 0 0 245.326 2.341 50 0 BEAARN CCCc1cc(C(N)=O)cc(CCC)c1O ZINC000002020971 169565472 /nfs/dbraw/zinc/56/54/72/169565472.db2.gz BJOJLTXWCSLMED-UHFFFAOYSA-N 0 0 221.300 2.396 50 0 BEAARN CCCc1nc(C)sc1-c1nnc(N)o1 ZINC000023128310 169587468 /nfs/dbraw/zinc/58/74/68/169587468.db2.gz IJWUSNIZHOEDNV-UHFFFAOYSA-N 0 0 224.289 2.036 50 0 BEAARN C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccnc2)n[nH]1 ZINC000194589657 259622631 /nfs/dbraw/zinc/62/26/31/259622631.db2.gz AXXAEPUEHGERIL-WPRPVWTQSA-N 0 0 242.282 2.180 50 0 BEAARN CCCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000064556984 169597377 /nfs/dbraw/zinc/59/73/77/169597377.db2.gz RJFFMLPZFWOBRC-UHFFFAOYSA-N 0 0 232.239 2.418 50 0 BEAARN CCCn1cc(N[C@H](C)CCOC)cn1 ZINC000095991558 169620358 /nfs/dbraw/zinc/62/03/58/169620358.db2.gz KGJGBVMALWBMSY-SNVBAGLBSA-N 0 0 211.309 2.130 50 0 BEAARN CCN(C(=O)[C@@H]1CCCO1)C1CCCCC1 ZINC000000617916 169649506 /nfs/dbraw/zinc/64/95/06/169649506.db2.gz MYMIAJDRJUSXKV-LBPRGKRZSA-N 0 0 225.332 2.347 50 0 BEAARN CCN(C(=O)c1cnccn1)C1CCCCC1 ZINC000032902887 169661024 /nfs/dbraw/zinc/66/10/24/169661024.db2.gz VMPGRUASTWSDPY-UHFFFAOYSA-N 0 0 233.315 2.271 50 0 BEAARN Brc1cnc(N2CCCCC2)nc1 ZINC000001495466 532975215 /nfs/dbraw/zinc/97/52/15/532975215.db2.gz OSEFZQJCFCWHKB-UHFFFAOYSA-N 0 0 242.120 2.229 50 0 BEAARN CCC[C@H](C)C(=O)NCc1ccncc1 ZINC000000030902 383819991 /nfs/dbraw/zinc/81/99/91/383819991.db2.gz NEAONFXTYNAGBZ-JTQLQIEISA-N 0 0 206.289 2.134 50 0 BEAARN O=C([O-])C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034963075 383821716 /nfs/dbraw/zinc/82/17/16/383821716.db2.gz QJHMRAUNAZTRTG-ZDUSSCGKSA-N 0 0 233.311 2.373 50 0 BEAARN O=Cc1cccc(I)c1 ZINC000000078154 383824291 /nfs/dbraw/zinc/82/42/91/383824291.db2.gz RZODAQZAFOBFLS-UHFFFAOYSA-N 0 0 232.020 2.104 50 0 BEAARN Cc1cc(=O)oc(C(=O)Nc2ccccc2)c1 ZINC000000107450 383828170 /nfs/dbraw/zinc/82/81/70/383828170.db2.gz IGFWEBUXOXYFGC-UHFFFAOYSA-N 0 0 229.235 2.201 50 0 BEAARN Cc1nc(-c2ccc(-c3noc(C)n3)cc2)no1 ZINC000000110026 383826718 /nfs/dbraw/zinc/82/67/18/383826718.db2.gz PAOJQMUEDGHLKP-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN Cn1nc(C(F)(F)F)c2cc(CO)sc21 ZINC000000168342 383838421 /nfs/dbraw/zinc/83/84/21/383838421.db2.gz YSHWBUOEHZKSIO-UHFFFAOYSA-N 0 0 236.218 2.146 50 0 BEAARN Cc1nnc2c(Cl)nc3ccccc3n12 ZINC000000167566 383838717 /nfs/dbraw/zinc/83/87/17/383838717.db2.gz KJXIBZROUGENCF-UHFFFAOYSA-N 0 0 218.647 2.239 50 0 BEAARN Cn1ccc(-c2cc(Cl)ccc2O)n1 ZINC000066055052 383844850 /nfs/dbraw/zinc/84/48/50/383844850.db2.gz CMNZUIHSFKJXRI-UHFFFAOYSA-N 0 0 208.648 2.446 50 0 BEAARN Fc1cc(-c2cnco2)cc(N2CCCC2)n1 ZINC000066054205 383844976 /nfs/dbraw/zinc/84/49/76/383844976.db2.gz QNXFTNGMBGFVPP-UHFFFAOYSA-N 0 0 233.246 2.476 50 0 BEAARN COC(OC)c1ccc2cc(F)cnc2n1 ZINC000066054215 383845504 /nfs/dbraw/zinc/84/55/04/383845504.db2.gz DAVIBRODJFTHQN-UHFFFAOYSA-N 0 0 222.219 2.060 50 0 BEAARN Cc1[nH]nc(NC(=O)OC(C)(C)C)c1C ZINC000066054935 383845561 /nfs/dbraw/zinc/84/55/61/383845561.db2.gz KQPPPGWIAJAPHY-UHFFFAOYSA-N 0 0 211.265 2.374 50 0 BEAARN COC(=O)c1cc(Cl)sc1NC(C)=O ZINC000000334282 383855701 /nfs/dbraw/zinc/85/57/01/383855701.db2.gz OYLPYFBEANZDIV-UHFFFAOYSA-N 0 0 233.676 2.147 50 0 BEAARN COC(=O)/C=C/C(=O)Nc1ccccc1C(C)C ZINC000000386830 383860710 /nfs/dbraw/zinc/86/07/10/383860710.db2.gz WCMUUUVUFONBEZ-CMDGGOBGSA-N 0 0 247.294 2.478 50 0 BEAARN Nn1c2ccccc2nc1NCc1ccccc1 ZINC000000444787 383867597 /nfs/dbraw/zinc/86/75/97/383867597.db2.gz ZWBAEHDXUKWDSJ-UHFFFAOYSA-N 0 0 238.294 2.362 50 0 BEAARN Cc1ccc(O)c(-c2nc([C@H]3CCOC3)no2)c1 ZINC000087810163 383867759 /nfs/dbraw/zinc/86/77/59/383867759.db2.gz UIRNPIIUBUQXAA-VIFPVBQESA-N 0 0 246.266 2.255 50 0 BEAARN Cc1ccc(OCC(=O)NCC(C)C)cc1 ZINC000000449272 383870114 /nfs/dbraw/zinc/87/01/14/383870114.db2.gz QJWLTNBNFBVTNM-UHFFFAOYSA-N 0 0 221.300 2.146 50 0 BEAARN Cn1nc(-c2cccs2)cc1C(=O)NC1CC1 ZINC000072405423 383871337 /nfs/dbraw/zinc/87/13/37/383871337.db2.gz ALWSTCIQOZBZHK-UHFFFAOYSA-N 0 0 247.323 2.041 50 0 BEAARN Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000000514572 383872113 /nfs/dbraw/zinc/87/21/13/383872113.db2.gz LCJUFAFVTDGQDR-LBPRGKRZSA-N 0 0 233.311 2.212 50 0 BEAARN Cc1ccc([C@@]2(C)NC(=O)CS2)cc1 ZINC000000478086 383873009 /nfs/dbraw/zinc/87/30/09/383873009.db2.gz QYSRSSSHWMIQKT-NSHDSACASA-N 0 0 207.298 2.031 50 0 BEAARN Nc1nnc(-c2c(F)cccc2F)s1 ZINC000000528873 383874186 /nfs/dbraw/zinc/87/41/86/383874186.db2.gz DHXTUPRTHLDAID-UHFFFAOYSA-N 0 0 213.212 2.066 50 0 BEAARN CC(=O)Nc1ccc(Br)c(C)n1 ZINC000000559888 383875581 /nfs/dbraw/zinc/87/55/81/383875581.db2.gz LDBWQGWJCPCZIN-UHFFFAOYSA-N 0 0 229.077 2.111 50 0 BEAARN CCN1CCN(c2c(N)cccc2Cl)CC1 ZINC000000556352 383875601 /nfs/dbraw/zinc/87/56/01/383875601.db2.gz VWFUMOMOAMTOFN-UHFFFAOYSA-N 0 0 239.750 2.064 50 0 BEAARN COC(=O)c1ccc(C2=NC(C)(C)CO2)cc1 ZINC000000133050 383830834 /nfs/dbraw/zinc/83/08/34/383830834.db2.gz KRRIXCFETJUJHO-UHFFFAOYSA-N 0 0 233.267 2.029 50 0 BEAARN CNc1ccccc1C(=O)NCc1ccncc1 ZINC000000145231 383833626 /nfs/dbraw/zinc/83/36/26/383833626.db2.gz TWAKDKSYECSOGB-UHFFFAOYSA-N 0 0 241.294 2.053 50 0 BEAARN COC(=O)c1c(C)onc1-c1ccccc1 ZINC000000137798 383833842 /nfs/dbraw/zinc/83/38/42/383833842.db2.gz VJCQAWFSNYNJLG-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN CC1(C)C(=S)N[C@@H](c2ccccc2)N1O ZINC000000136365 383834047 /nfs/dbraw/zinc/83/40/47/383834047.db2.gz WQSXWDOQZZBNFX-SECBINFHSA-N 0 0 222.313 2.086 50 0 BEAARN CCCC[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000001614543 383911998 /nfs/dbraw/zinc/91/19/98/383911998.db2.gz HHBSIIRCNFRFSW-NSHDSACASA-N 0 0 207.273 2.202 50 0 BEAARN CCOCc1ccc(O)c2ncccc12 ZINC000001717597 383928315 /nfs/dbraw/zinc/92/83/15/383928315.db2.gz JQYCYUYNAZPXJQ-UHFFFAOYSA-N 0 0 203.241 2.477 50 0 BEAARN CC(C)(C)OC(=O)N1CC(O)(c2ccccc2)C1 ZINC000089065218 383931568 /nfs/dbraw/zinc/93/15/68/383931568.db2.gz RDFFQIULSPDBAB-UHFFFAOYSA-N 0 0 249.310 2.125 50 0 BEAARN COC(=O)c1cc(-c2cccs2)on1 ZINC000001067773 383888894 /nfs/dbraw/zinc/88/88/94/383888894.db2.gz HNUBQXDECCWAJW-UHFFFAOYSA-N 0 0 209.226 2.190 50 0 BEAARN COC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000001399764 383895479 /nfs/dbraw/zinc/89/54/79/383895479.db2.gz GZUIJAALFPMATB-UHFFFAOYSA-N 0 0 244.294 2.335 50 0 BEAARN COC(=O)c1cc(C(=O)c2ccc(F)cc2)c[nH]1 ZINC000001399080 383895871 /nfs/dbraw/zinc/89/58/71/383895871.db2.gz HIQYFAKKYGMHIX-UHFFFAOYSA-N 0 0 247.225 2.171 50 0 BEAARN CNc1cnn(-c2ccc(C)cc2)c(=O)c1Cl ZINC000001392448 383896394 /nfs/dbraw/zinc/89/63/94/383896394.db2.gz XJUGRFVWBCQOFL-UHFFFAOYSA-N 0 0 249.701 2.236 50 0 BEAARN CC(=O)c1ccc(N)c(Br)c1 ZINC000001437417 383900010 /nfs/dbraw/zinc/90/00/10/383900010.db2.gz ASMVJBACZFHISI-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN COC(=O)c1ccc2c(c1)nc1n2CCCC1 ZINC000001426991 383900360 /nfs/dbraw/zinc/90/03/60/383900360.db2.gz HFUIEULYHLTUGB-UHFFFAOYSA-N 0 0 230.267 2.159 50 0 BEAARN COC(=O)c1cc2cc3c(cc2s1)OCO3 ZINC000036405808 383902167 /nfs/dbraw/zinc/90/21/67/383902167.db2.gz HBIJRFJPRZWVFD-UHFFFAOYSA-N 0 0 236.248 2.417 50 0 BEAARN Nc1ccc2c(c1Br)C(=O)CC2 ZINC000071257043 383978726 /nfs/dbraw/zinc/97/87/26/383978726.db2.gz VMRJYVAAFYLRCR-UHFFFAOYSA-N 0 0 226.073 2.160 50 0 BEAARN COC(=O)c1ccc(Cl)c(OC)c1 ZINC000002583734 383982023 /nfs/dbraw/zinc/98/20/23/383982023.db2.gz XOSUADSADIJLGO-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN Cn1nc2c3ccccc3[nH]c2nc1=S ZINC000000249495 383983608 /nfs/dbraw/zinc/98/36/08/383983608.db2.gz LDAZMQASVFAPJX-UHFFFAOYSA-N 0 0 216.269 2.179 50 0 BEAARN CSCc1nc2ccc(C)cc2c(=O)[nH]1 ZINC000089657466 383984560 /nfs/dbraw/zinc/98/45/60/383984560.db2.gz WRDPMHAHELJFRD-UHFFFAOYSA-N 0 0 220.297 2.095 50 0 BEAARN O=C(c1ccon1)N1CCC[C@@H]2CCC[C@H]21 ZINC000089885165 384002882 /nfs/dbraw/zinc/00/28/82/384002882.db2.gz CTGCHRKFARXKHM-GXSJLCMTSA-N 0 0 220.272 2.079 50 0 BEAARN COC(=O)c1cc(-c2cccc(O)c2)cn1C ZINC000067690407 383936153 /nfs/dbraw/zinc/93/61/53/383936153.db2.gz LVMIYQZLRICECP-UHFFFAOYSA-N 0 0 231.251 2.184 50 0 BEAARN CCCc1nncn1-c1cc(OC)ccc1OC ZINC000067803749 383948298 /nfs/dbraw/zinc/94/82/98/383948298.db2.gz XQGSNQYFIYJWDI-UHFFFAOYSA-N 0 0 247.298 2.237 50 0 BEAARN Cc1[nH]nc2cc(Br)cnc12 ZINC000089219777 383949333 /nfs/dbraw/zinc/94/93/33/383949333.db2.gz HGILPZZKMDDLPI-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN CC(=O)N1CCC(Nc2ccccc2)CC1 ZINC000037186006 383954699 /nfs/dbraw/zinc/95/46/99/383954699.db2.gz MQODVIREANLFQM-UHFFFAOYSA-N 0 0 218.300 2.109 50 0 BEAARN CCCCOC(=O)CCc1c(C)n[nH]c1C ZINC000002318584 383958837 /nfs/dbraw/zinc/95/88/37/383958837.db2.gz WBVHOVURKBEONP-UHFFFAOYSA-N 0 0 224.304 2.302 50 0 BEAARN CCN(CC)c1cc(Cl)c2nonc2c1N ZINC000002324051 383959364 /nfs/dbraw/zinc/95/93/64/383959364.db2.gz GIVHJKBAXPVFGA-UHFFFAOYSA-N 0 0 240.694 2.305 50 0 BEAARN CCOc1cccc(-c2ccc(C(N)=O)cn2)c1 ZINC000067947925 383963563 /nfs/dbraw/zinc/96/35/63/383963563.db2.gz VOSNVACDBIPMTE-UHFFFAOYSA-N 0 0 242.278 2.246 50 0 BEAARN CCCCNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000002479698 383965431 /nfs/dbraw/zinc/96/54/31/383965431.db2.gz GWBKTTGTIOFPQG-UHFFFAOYSA-N 0 0 248.326 2.158 50 0 BEAARN c1ccc2c(c1)nc1n3c(nnc2-1)SCC3 ZINC000002486699 383966502 /nfs/dbraw/zinc/96/65/02/383966502.db2.gz KKMSSNWYFUCLPI-UHFFFAOYSA-N 0 0 228.280 2.037 50 0 BEAARN COC(=O)c1ccc(-c2csc(N)n2)cc1 ZINC000002505858 383966777 /nfs/dbraw/zinc/96/67/77/383966777.db2.gz FKEIGGWJRUYGHR-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN CC(C)C(=O)CC(=O)Nc1ccccc1 ZINC000002508337 383968603 /nfs/dbraw/zinc/96/86/03/383968603.db2.gz ADHRFDCBLJVNFO-UHFFFAOYSA-N 0 0 205.257 2.240 50 0 in-vitro BEAARN CCCCNC(=O)Nc1ccc(O)cc1 ZINC000002566265 383976114 /nfs/dbraw/zinc/97/61/14/383976114.db2.gz LOFAYROKTSXIAG-UHFFFAOYSA-N 0 0 208.261 2.314 50 0 BEAARN Cc1[nH]ccc1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000089536727 383976057 /nfs/dbraw/zinc/97/60/57/383976057.db2.gz PLPWAAHGWYBNPK-PHIMTYICSA-N 0 0 218.300 2.195 50 0 BEAARN Cc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000002569194 383976560 /nfs/dbraw/zinc/97/65/60/383976560.db2.gz DRDAVHQVXASJGL-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN CCCN(C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000335066591 384018743 /nfs/dbraw/zinc/01/87/43/384018743.db2.gz AUOWZLUPVKQLAR-UWVGGRQHSA-N 0 0 201.285 2.383 50 0 BEAARN COC(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000003633949 384021082 /nfs/dbraw/zinc/02/10/82/384021082.db2.gz XUONPUJASNHQGZ-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN O=C(c1ccon1)N1CCC[C@H]2CCC[C@H]21 ZINC000089885164 384003672 /nfs/dbraw/zinc/00/36/72/384003672.db2.gz CTGCHRKFARXKHM-MWLCHTKSSA-N 0 0 220.272 2.079 50 0 BEAARN CC(=O)c1sc(NC[C@H]2CCCO2)nc1C ZINC000003503985 384014147 /nfs/dbraw/zinc/01/41/47/384014147.db2.gz KIOUUCKLQRRTHR-SECBINFHSA-N 0 0 240.328 2.245 50 0 BEAARN CS(=O)(=O)Oc1cccc2ccccc21 ZINC000004659218 384047011 /nfs/dbraw/zinc/04/70/11/384047011.db2.gz XDMSBAHISPQMNW-UHFFFAOYSA-N 0 0 222.265 2.178 50 0 BEAARN CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000004290595 384054053 /nfs/dbraw/zinc/05/40/53/384054053.db2.gz KCCSFWPCOOIRPQ-UHFFFAOYSA-N 0 0 238.230 2.250 50 0 BEAARN COC(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000004025478 384037158 /nfs/dbraw/zinc/03/71/58/384037158.db2.gz FZLFPOQKXZBPLI-QPJJXVBHSA-N 0 0 228.251 2.059 50 0 BEAARN COC(=O)c1ccc2[nH]c(=S)[nH]c2c1 ZINC000004955370 384092135 /nfs/dbraw/zinc/09/21/35/384092135.db2.gz OWOQAGPFQFJSJX-UHFFFAOYSA-N 0 0 208.242 2.012 50 0 BEAARN O=C(C1CC1)N1CC[C@H](OCc2ccccc2)C1 ZINC000257184675 384055905 /nfs/dbraw/zinc/05/59/05/384055905.db2.gz VCWYBGCKWPSLSM-AWEZNQCLSA-N 0 0 245.322 2.214 50 0 BEAARN CNc1c(Cl)nc(Cl)cc1C(=O)OC ZINC000090513235 384056941 /nfs/dbraw/zinc/05/69/41/384056941.db2.gz JRUXBJRCWKJHPR-UHFFFAOYSA-N 0 0 235.070 2.217 50 0 BEAARN COC(=O)c1c(Cl)ccc(C=O)c1F ZINC000114893729 384059451 /nfs/dbraw/zinc/05/94/51/384059451.db2.gz QUMXOIMHDZEQDT-UHFFFAOYSA-N 0 0 216.595 2.078 50 0 BEAARN COC(=O)c1ccc(Br)c(O)c1C ZINC000114959454 384060646 /nfs/dbraw/zinc/06/06/46/384060646.db2.gz KJQPVKLURCKVPY-UHFFFAOYSA-N 0 0 245.072 2.250 50 0 BEAARN C[NH+]1CCC(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000115616625 384090792 /nfs/dbraw/zinc/09/07/92/384090792.db2.gz NGSSTNSCOOSCKB-UHFFFAOYSA-N 0 0 233.311 2.269 50 0 BEAARN Cc1cn([C@@H](C)c2ccccc2)nc1N ZINC000069901992 384068918 /nfs/dbraw/zinc/06/89/18/384068918.db2.gz ZIPICRBLGVTJKQ-JTQLQIEISA-N 0 0 201.273 2.383 50 0 BEAARN CC(C)(O)CNc1nc2ccccc2s1 ZINC000078470379 384073466 /nfs/dbraw/zinc/07/34/66/384073466.db2.gz PSSJDTUXUOEARC-UHFFFAOYSA-N 0 0 222.313 2.479 50 0 BEAARN COc1cc(N)c(F)c(C(F)(F)F)c1 ZINC000091252370 384111731 /nfs/dbraw/zinc/11/17/31/384111731.db2.gz HFYMUTVWAXCASY-UHFFFAOYSA-N 0 0 209.142 2.435 50 0 BEAARN CNC(=O)c1oc2ccc(OC)cc2c1C ZINC000007771525 384093230 /nfs/dbraw/zinc/09/32/30/384093230.db2.gz ZJFZTKBRQMBYEK-UHFFFAOYSA-N 0 0 219.240 2.109 50 0 BEAARN CSCCC[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091643945 384135037 /nfs/dbraw/zinc/13/50/37/384135037.db2.gz FOYVLFNTZJIYLO-WDEREUQCSA-N 0 0 245.388 2.028 50 0 BEAARN c1nc(-c2ccncc2)n(Cc2ccccc2)n1 ZINC000091595614 384136001 /nfs/dbraw/zinc/13/60/01/384136001.db2.gz QNOMATLLVRTXJI-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN Cc1noc(C(C)C)c1C(=O)N1CCCC1 ZINC000039984802 384125039 /nfs/dbraw/zinc/12/50/39/384125039.db2.gz FTYXHRPPVZNZJG-UHFFFAOYSA-N 0 0 222.288 2.342 50 0 BEAARN CC(=O)c1cc(F)nc(N2CCCC2)c1 ZINC000039961263 384125360 /nfs/dbraw/zinc/12/53/60/384125360.db2.gz WQRQATHBJTYJSV-UHFFFAOYSA-N 0 0 208.236 2.024 50 0 BEAARN CS(=O)(=O)c1ccc2nccc(Cl)c2c1 ZINC000091690816 384138119 /nfs/dbraw/zinc/13/81/19/384138119.db2.gz KJVKESYMVCSYLW-UHFFFAOYSA-N 0 0 241.699 2.292 50 0 BEAARN CC(C)(C)OC(=O)Nc1cnn2cccnc12 ZINC000091692858 384137681 /nfs/dbraw/zinc/13/76/81/384137681.db2.gz XEEBWARTSKGTSY-UHFFFAOYSA-N 0 0 234.259 2.076 50 0 BEAARN Nc1nc(=S)[nH]c2sc3c(c21)CCC3 ZINC000005816970 384133078 /nfs/dbraw/zinc/13/30/78/384133078.db2.gz XFDOOBIOYUCTAF-UHFFFAOYSA-N 0 0 223.326 2.425 50 0 BEAARN COc1cc(Br)ccc1OC(C)=O ZINC000116640682 384147587 /nfs/dbraw/zinc/14/75/87/384147587.db2.gz GCNWECQSWKBEGV-UHFFFAOYSA-N 0 0 245.072 2.383 50 0 BEAARN COC(=O)c1cccc(-n2cccc2)c1 ZINC000006274748 384147842 /nfs/dbraw/zinc/14/78/42/384147842.db2.gz AORPZPNEEGITMY-UHFFFAOYSA-N 0 0 201.225 2.264 50 0 BEAARN Cc1cnc(N)nc1N[C@@H]1C[C@H]1c1ccccc1 ZINC000091678579 384138510 /nfs/dbraw/zinc/13/85/10/384138510.db2.gz WDGHXXDVYPCGKF-NWDGAFQWSA-N 0 0 240.310 2.335 50 0 BEAARN CCc1cccc(CC)c1NC(N)=S ZINC000005956534 384141016 /nfs/dbraw/zinc/14/10/16/384141016.db2.gz UQCMKQLHZQIUHB-UHFFFAOYSA-N 0 0 208.330 2.467 50 0 BEAARN CC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000002648232 384174076 /nfs/dbraw/zinc/17/40/76/384174076.db2.gz USZIBNHTAPJBLP-PELKAZGASA-N 0 0 217.268 2.484 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1cc2ccccc2[nH]1 ZINC000000383144 384160850 /nfs/dbraw/zinc/16/08/50/384160850.db2.gz AAHJATVXPWOZCP-NSHDSACASA-N 0 0 244.294 2.077 50 0 BEAARN Cn1nccc1C(=O)NCc1ccccc1Cl ZINC000006700268 384162785 /nfs/dbraw/zinc/16/27/85/384162785.db2.gz QTPDBOBEBJCIMQ-UHFFFAOYSA-N 0 0 249.701 2.004 50 0 BEAARN CCCCNc1ccc(C(=O)OC)cc1N ZINC000041046205 384176175 /nfs/dbraw/zinc/17/61/75/384176175.db2.gz UUWAHRYRPZTMME-UHFFFAOYSA-N 0 0 222.288 2.267 50 0 BEAARN Cn1nc(C2CC2)c2c1[nH]c(=O)cc2C(F)F ZINC000002741157 384184498 /nfs/dbraw/zinc/18/44/98/384184498.db2.gz ZRNPXQPHFKTLMJ-UHFFFAOYSA-N 0 0 239.225 2.077 50 0 BEAARN CC(=O)Oc1cccc2c1CC[C@H]2OC(C)=O ZINC000071773426 384178497 /nfs/dbraw/zinc/17/84/97/384178497.db2.gz KDHVZYREKPGLHP-CYBMUJFWSA-N 0 0 234.251 2.162 50 0 BEAARN COc1ncc(C)cc1Br ZINC000071790996 384179393 /nfs/dbraw/zinc/17/93/93/384179393.db2.gz NDKLQBZACYGWAZ-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN Cn1cc(-c2nnc(C3CCCCC3)[nH]2)cn1 ZINC000041161351 384180096 /nfs/dbraw/zinc/18/00/96/384180096.db2.gz BVPMCRYTBADPOK-UHFFFAOYSA-N 0 0 231.303 2.253 50 0 BEAARN CN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000008390495 384202183 /nfs/dbraw/zinc/20/21/83/384202183.db2.gz KZPXLWBEPOVTGV-LLVKDONJSA-N 0 0 235.718 2.382 50 0 BEAARN O=Cc1cccn1CC(=O)Nc1ccc(F)cc1 ZINC000033508484 384203644 /nfs/dbraw/zinc/20/36/44/384203644.db2.gz XADFQERLLVBCTE-UHFFFAOYSA-N 0 0 246.241 2.078 50 0 BEAARN CCO[C@@H]1C[C@@H](NC(=O)c2ccco2)C1(C)C ZINC000071915436 384192159 /nfs/dbraw/zinc/19/21/59/384192159.db2.gz QYDBPKWSDRVGTN-GHMZBOCLSA-N 0 0 237.299 2.213 50 0 BEAARN Clc1ncnn2c(Br)ccc12 ZINC000072194219 384198783 /nfs/dbraw/zinc/19/87/83/384198783.db2.gz WHHDFKYGOMDNGN-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN O=Cc1ccc(-n2cccn2)c(Cl)c1 ZINC000042684246 384236800 /nfs/dbraw/zinc/23/68/00/384236800.db2.gz NEGUYXDHYGIYGW-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)[nH]n1 ZINC000048818254 384215356 /nfs/dbraw/zinc/21/53/56/384215356.db2.gz KYQCXBXISLZSSI-GFCCVEGCSA-N 0 0 241.294 2.135 50 0 BEAARN O=C(Nc1nccs1)N[C@@H]1CC[C@H](F)C1 ZINC000336359263 384218703 /nfs/dbraw/zinc/21/87/03/384218703.db2.gz NCAHWPDIXGFDMM-NKWVEPMBSA-N 0 0 229.280 2.155 50 0 BEAARN CC(C)[C@@H]1CC(=O)N1C(=O)OC(C)(C)C ZINC000072481899 384222988 /nfs/dbraw/zinc/22/29/88/384222988.db2.gz GHJDWXKOEPOVGM-QMMMGPOBSA-N 0 0 213.277 2.178 50 0 BEAARN CC(C(=O)NC[C@H]1CCCOC1)=C1CCC1 ZINC000408519438 384277206 /nfs/dbraw/zinc/27/72/06/384277206.db2.gz QGRQJRAQSUVADD-LLVKDONJSA-N 0 0 223.316 2.030 50 0 BEAARN CCOC(=O)[C@@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061096643 384264254 /nfs/dbraw/zinc/26/42/54/384264254.db2.gz GOENYNHPRWNTSY-ZCFIWIBFSA-N 0 0 247.216 2.467 50 0 BEAARN CCCc1c(NCCO)cnn1-c1ccccc1 ZINC000408515161 384269536 /nfs/dbraw/zinc/26/95/36/384269536.db2.gz UQMSQRRDPVETGV-UHFFFAOYSA-N 0 0 245.326 2.229 50 0 BEAARN Cc1ccc(C(=O)Nc2nncs2)cc1C ZINC000000174750 384270259 /nfs/dbraw/zinc/27/02/59/384270259.db2.gz HYDBLSBZRQBXGZ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN COc1ccc(COCc2ncc[nH]2)cc1 ZINC000408514749 384270211 /nfs/dbraw/zinc/27/02/11/384270211.db2.gz OESWPNFOTVWFBR-UHFFFAOYSA-N 0 0 218.256 2.135 50 0 BEAARN COC[C@@H](C)NC(=O)c1ccccc1Cl ZINC000000030955 384272584 /nfs/dbraw/zinc/27/25/84/384272584.db2.gz NPKZJPUWCDWLGK-MRVPVSSYSA-N 0 0 227.691 2.105 50 0 BEAARN c1ccc2c(c1)ccc1c2CNc2nnnn2-1 ZINC000010434535 384273577 /nfs/dbraw/zinc/27/35/77/384273577.db2.gz VVZHTYCWSHCZOI-UHFFFAOYSA-N 0 0 223.239 2.401 50 0 BEAARN CO[C@H]1C[C@H](N(C)c2ccnc(C)n2)C12CCC2 ZINC000408519646 384275662 /nfs/dbraw/zinc/27/56/62/384275662.db2.gz KURTXKKMECYRON-RYUDHWBXSA-N 0 0 247.342 2.179 50 0 BEAARN Cc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)o1 ZINC000119160414 384242000 /nfs/dbraw/zinc/24/20/00/384242000.db2.gz UNGUCYBEACYRKC-HUUCEWRRSA-N 0 0 243.306 2.336 50 0 BEAARN O=c1[nH]c2cc(Cl)cc(Br)c2[nH]1 ZINC000074926431 384312461 /nfs/dbraw/zinc/31/24/61/384312461.db2.gz IAQHYRAFSBUTJD-UHFFFAOYSA-N 0 0 247.479 2.272 50 0 BEAARN Nc1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000012362963 384314143 /nfs/dbraw/zinc/31/41/43/384314143.db2.gz AFLVWDDWXHKWJM-UHFFFAOYSA-N 0 0 219.288 2.120 50 0 BEAARN O=C([C@H]1CCCO1)N1CCC2(CCCC2)CC1 ZINC000097002422 384279050 /nfs/dbraw/zinc/27/90/50/384279050.db2.gz DLKZIAFBOJAYRK-GFCCVEGCSA-N 0 0 237.343 2.348 50 0 BEAARN O=C(N[C@H]1CCC[C@H](F)C1)c1ccoc1 ZINC000335422354 384286022 /nfs/dbraw/zinc/28/60/22/384286022.db2.gz YTBCEEJPZSVQNH-UWVGGRQHSA-N 0 0 211.236 2.290 50 0 BEAARN Nc1snnc1-c1nc(C2CC2)cs1 ZINC000408524543 384291215 /nfs/dbraw/zinc/29/12/15/384291215.db2.gz VLZSLVAUXPBCDE-UHFFFAOYSA-N 0 0 224.314 2.121 50 0 BEAARN CN(Cc1cccnc1)C(=O)c1ccccc1F ZINC000032967308 384291340 /nfs/dbraw/zinc/29/13/40/384291340.db2.gz YTRFOLJOCBQKMQ-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)[O-] ZINC000237573752 384292596 /nfs/dbraw/zinc/29/25/96/384292596.db2.gz OEWXNAJKFYKSEP-ONGXEEELSA-N 0 0 237.274 2.088 50 0 BEAARN O=C(Nc1cccc(F)c1)[C@H]1CCC(=O)C1 ZINC000335506773 384296210 /nfs/dbraw/zinc/29/62/10/384296210.db2.gz CLIYRYSGVINQIE-QMMMGPOBSA-N 0 0 221.231 2.133 50 0 BEAARN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)[O-] ZINC000237578312 384298662 /nfs/dbraw/zinc/29/86/62/384298662.db2.gz OEWXNAJKFYKSEP-MWLCHTKSSA-N 0 0 237.274 2.088 50 0 BEAARN O=C(/C=C\c1ccncc1)NCc1cccs1 ZINC000097044394 384299961 /nfs/dbraw/zinc/29/99/61/384299961.db2.gz QYAKOCSFDBOEOB-ARJAWSKDSA-N 0 0 244.319 2.473 50 0 BEAARN O=[S@@](CCO)[C@@H]1CCc2c1cccc2Cl ZINC000097046690 384300031 /nfs/dbraw/zinc/30/00/31/384300031.db2.gz NKWTVLVMSIYANC-IAQYHMDHSA-N 0 0 244.743 2.068 50 0 BEAARN Nc1c(Br)cnn1-c1ccccc1 ZINC000075843764 384342189 /nfs/dbraw/zinc/34/21/89/384342189.db2.gz VIFCFRDZUNAODA-UHFFFAOYSA-N 0 0 238.088 2.217 50 0 BEAARN COC(=O)c1c(N)scc1-c1cccnc1 ZINC000012949932 384344281 /nfs/dbraw/zinc/34/42/81/384344281.db2.gz GIFZVDAPWGUEQV-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN c1nc(S[C@@H]2CCc3ccccc3C2)n[nH]1 ZINC000097103006 384356726 /nfs/dbraw/zinc/35/67/26/384356726.db2.gz YLNZZTPKVQOILE-LLVKDONJSA-N 0 0 231.324 2.454 50 0 BEAARN C[N@@H+](Cc1cccnc1)C[C@@H]1CCC=CO1 ZINC000097105556 384357357 /nfs/dbraw/zinc/35/73/57/384357357.db2.gz GCWAFGOKSWDAJA-ZDUSSCGKSA-N 0 0 218.300 2.206 50 0 BEAARN C[C@H](CCn1cccn1)Nc1cccc(O)c1 ZINC000097104741 384358261 /nfs/dbraw/zinc/35/82/61/384358261.db2.gz DLIWRNKAHZOYMD-LLVKDONJSA-N 0 0 231.299 2.479 50 0 BEAARN FC(F)(F)c1cc(Br)n[nH]1 ZINC000095346841 384368366 /nfs/dbraw/zinc/36/83/66/384368366.db2.gz ULONMXISWOZBAK-UHFFFAOYSA-N 0 0 214.972 2.191 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1O ZINC000095348156 384370805 /nfs/dbraw/zinc/37/08/05/384370805.db2.gz FXVLUNMZSAJYNE-VHSXEESVSA-N 0 0 229.320 2.205 50 0 BEAARN C[C@H](CC(=O)NCc1ccccc1)n1ccnc1 ZINC000012699454 384331353 /nfs/dbraw/zinc/33/13/53/384331353.db2.gz GCOSGXJCJBOLMI-GFCCVEGCSA-N 0 0 243.310 2.151 50 0 BEAARN CCOCCOc1c(N)cccc1Cl ZINC000014629196 384397048 /nfs/dbraw/zinc/39/70/48/384397048.db2.gz CCKMPCVBIDIVIG-UHFFFAOYSA-N 0 0 215.680 2.338 50 0 BEAARN CON(C)C(=O)/C=C/c1cc(F)c(F)c(F)c1 ZINC000095829611 384399629 /nfs/dbraw/zinc/39/96/29/384399629.db2.gz CTFHSKGFBONUET-ONEGZZNKSA-N 0 0 245.200 2.137 50 0 BEAARN CC(C)n1cc(N)c(OCCC(F)(F)F)n1 ZINC000095836825 384403488 /nfs/dbraw/zinc/40/34/88/384403488.db2.gz KHALBLATMVRUAX-UHFFFAOYSA-N 0 0 237.225 2.377 50 0 BEAARN COC(=O)c1cnc2[nH]ccc(Cl)c1-2 ZINC000095929569 384409759 /nfs/dbraw/zinc/40/97/59/384409759.db2.gz QJPLBKHKYNYEOB-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CC(=O)c1c(O)n(C)c2ccc(F)cc12 ZINC000096026258 384421027 /nfs/dbraw/zinc/42/10/27/384421027.db2.gz NAGYDCNYNJUJIC-UHFFFAOYSA-N 0 0 207.204 2.226 50 0 BEAARN C[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000096026219 384421215 /nfs/dbraw/zinc/42/12/15/384421215.db2.gz CJGCFSACALSTJS-AAEUAGOBSA-N 0 0 233.311 2.085 50 0 BEAARN CCONC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000032882414 384421792 /nfs/dbraw/zinc/42/17/92/384421792.db2.gz RMAPTXPXNQOXDI-UHFFFAOYSA-N 0 0 249.270 2.028 50 0 BEAARN Cc1ccc(OCCN2CCN(C)C2=O)c(C)c1 ZINC000095517089 384381203 /nfs/dbraw/zinc/38/12/03/384381203.db2.gz NCVMTMYLTYEEDS-UHFFFAOYSA-N 0 0 248.326 2.050 50 0 BEAARN Cn1c(=O)ccc2ccc(Br)cc21 ZINC000095635332 384385890 /nfs/dbraw/zinc/38/58/90/384385890.db2.gz NUHIBWXANVPRAN-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN FC(F)Oc1ccnc(Br)c1 ZINC000095704942 384390680 /nfs/dbraw/zinc/39/06/80/384390680.db2.gz WTLCKEHRGDZTGC-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN COC(=O)c1ccc(F)c(Cl)c1F ZINC000047202262 384444357 /nfs/dbraw/zinc/44/43/57/384444357.db2.gz GKYHTALZVVERSW-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN c1c2ccccc2oc1-c1cnc2nonc2n1 ZINC000078546305 384445817 /nfs/dbraw/zinc/44/58/17/384445817.db2.gz LCSTZJVRGLUAMQ-UHFFFAOYSA-N 0 0 238.206 2.426 50 0 BEAARN O=C1NCCC[C@@H]1Cc1ccccc1Cl ZINC000096300654 384452242 /nfs/dbraw/zinc/45/22/42/384452242.db2.gz XKDPJVJYJGYBLU-SNVBAGLBSA-N 0 0 223.703 2.409 50 0 BEAARN COC(=O)c1cc(F)c(F)c(F)c1F ZINC000016158226 384452885 /nfs/dbraw/zinc/45/28/85/384452885.db2.gz MAEQYZYOSFAUAF-UHFFFAOYSA-N 0 0 208.110 2.030 50 0 BEAARN Cn1ncc2c1nc(Cl)cc2Cl ZINC000096102757 384434813 /nfs/dbraw/zinc/43/48/13/384434813.db2.gz FNIWVSATLMFMHJ-UHFFFAOYSA-N 0 0 202.044 2.275 50 0 BEAARN CCCc1nnc(NCc2ccco2)o1 ZINC000097231396 384460932 /nfs/dbraw/zinc/46/09/32/384460932.db2.gz ROCTYZUJLDMTOR-UHFFFAOYSA-N 0 0 207.233 2.227 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000016602770 384461640 /nfs/dbraw/zinc/46/16/40/384461640.db2.gz DGXXLKKPFNQIOS-WCQYABFASA-N 0 0 233.311 2.292 50 0 BEAARN Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000016602282 384462721 /nfs/dbraw/zinc/46/27/21/384462721.db2.gz DBWNIWNCLQCTLJ-IUCAKERBSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1cc(C)cc(N2CN=NC2=S)c1 ZINC000016957956 384476812 /nfs/dbraw/zinc/47/68/12/384476812.db2.gz UEANSFOPIHVIIE-UHFFFAOYSA-N 0 0 205.286 2.173 50 0 BEAARN Nc1ccccc1-c1n[nH]c(C2CCC2)n1 ZINC000097105498 384498836 /nfs/dbraw/zinc/49/88/36/384498836.db2.gz GWMAWGHMQRTFKC-UHFFFAOYSA-N 0 0 214.272 2.321 50 0 BEAARN CCCCN1CCN(CCCC)C1=S ZINC000002034233 384503097 /nfs/dbraw/zinc/50/30/97/384503097.db2.gz GEDLJMYPQDMOSM-UHFFFAOYSA-N 0 0 214.378 2.489 50 0 BEAARN O=C([O-])CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000019089441 384509665 /nfs/dbraw/zinc/50/96/65/384509665.db2.gz SGVLEINHEWUGMS-WDEREUQCSA-N 0 0 211.305 2.116 50 0 BEAARN COCOc1cccc(C(=O)c2ccccn2)c1 ZINC000019087633 384509786 /nfs/dbraw/zinc/50/97/86/384509786.db2.gz VKCQLUAVVXDJHC-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN COCOc1ccccc1C(=O)c1ccncc1 ZINC000019087648 384511086 /nfs/dbraw/zinc/51/10/86/384511086.db2.gz UQFPFIZVBNBARJ-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN Nc1nnc(-c2ccc(Br)s2)o1 ZINC000019407926 384518351 /nfs/dbraw/zinc/51/83/51/384518351.db2.gz BZJZZNUHCSAJMC-UHFFFAOYSA-N 0 0 246.089 2.143 50 0 BEAARN Cc1ccc(CN(C(C)C)S(C)(=O)=O)s1 ZINC000066002013 384549317 /nfs/dbraw/zinc/54/93/17/384549317.db2.gz XEKVAMFGHNDZEW-UHFFFAOYSA-N 0 0 247.385 2.227 50 0 BEAARN Nc1nc2cc(F)c(Br)cc2o1 ZINC000097757438 384553918 /nfs/dbraw/zinc/55/39/18/384553918.db2.gz ZTOBHVLXBQUWKH-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN COC(=O)C(C)(C)c1ccc(F)c(F)c1 ZINC000097756838 384554356 /nfs/dbraw/zinc/55/43/56/384554356.db2.gz SOWHINKRSBHHBH-UHFFFAOYSA-N 0 0 214.211 2.415 50 0 BEAARN CCCCNC(=O)COc1ccc(F)cc1 ZINC000019935024 384559163 /nfs/dbraw/zinc/55/91/63/384559163.db2.gz AYIVTIYJTINLID-UHFFFAOYSA-N 0 0 225.263 2.121 50 0 BEAARN CCCCN1C(=O)C2=C(CCCC2)[C@H]1OC ZINC000019799113 384541169 /nfs/dbraw/zinc/54/11/69/384541169.db2.gz RMDVYNKTMPJSLD-CYBMUJFWSA-N 0 0 223.316 2.472 50 0 BEAARN c1cncc(NCc2ccc3c(c2)OCCO3)c1 ZINC000020086072 384574171 /nfs/dbraw/zinc/57/41/71/384574171.db2.gz VAQRWTIJERHSCC-UHFFFAOYSA-N 0 0 242.278 2.465 50 0 BEAARN FC(F)(F)CNCc1ccc2c(c1)OCCO2 ZINC000020084410 384574644 /nfs/dbraw/zinc/57/46/44/384574644.db2.gz BPEWMCKHTDGLLB-UHFFFAOYSA-N 0 0 247.216 2.110 50 0 BEAARN COC(=O)c1cccc2c1O[C@H](C)[C@H]2C ZINC000073193846 384588519 /nfs/dbraw/zinc/58/85/19/384588519.db2.gz JSLIOTYZZRXGLQ-HTQZYQBOSA-N 0 0 206.241 2.358 50 0 BEAARN O=C1CCCc2nn(-c3ccccc3)cc21 ZINC000098210115 384605511 /nfs/dbraw/zinc/60/55/11/384605511.db2.gz ULXFYCXXERDSNV-UHFFFAOYSA-N 0 0 212.252 2.391 50 0 BEAARN Cc1cc(=O)n(-c2ccccc2Cl)[nH]1 ZINC000100009250 384608464 /nfs/dbraw/zinc/60/84/64/384608464.db2.gz OCGZNXKNMPUVEG-UHFFFAOYSA-N 0 0 208.648 2.127 50 0 BEAARN C[C@@H](NC(=O)n1ccnc1)c1ccc(F)cc1 ZINC000020283029 384609040 /nfs/dbraw/zinc/60/90/40/384609040.db2.gz HUVIBBRNBRJCFX-SECBINFHSA-N 0 0 233.246 2.341 50 0 BEAARN O=Cc1cccc(OCC2CCOCC2)c1 ZINC000020357632 384613462 /nfs/dbraw/zinc/61/34/62/384613462.db2.gz BUKSSOFBDFSRKX-UHFFFAOYSA-N 0 0 220.268 2.305 50 0 BEAARN CC(C)c1cccc(N2CCNC2=O)c1 ZINC000098096552 384593009 /nfs/dbraw/zinc/59/30/09/384593009.db2.gz KGYNXIXMQQROLX-UHFFFAOYSA-N 0 0 204.273 2.340 50 0 BEAARN CCCCN1CN(CCC)CNC1=S ZINC000020190547 384594011 /nfs/dbraw/zinc/59/40/11/384594011.db2.gz ROCSHLOHTYJBQY-UHFFFAOYSA-N 0 0 215.366 2.015 50 0 BEAARN O=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@H]3[C@@H]12 ZINC000103108399 384596105 /nfs/dbraw/zinc/59/61/05/384596105.db2.gz RQWNVDAJWFMNDY-FRWLMAKKSA-N 0 0 244.290 2.229 50 0 BEAARN CCc1ccc(OCC(=O)Nc2ccon2)cc1 ZINC000020212317 384600448 /nfs/dbraw/zinc/60/04/48/384600448.db2.gz QMPOUNVLSIXGSH-UHFFFAOYSA-N 0 0 246.266 2.255 50 0 BEAARN Cc1ccc(CCNc2ccn(C)n2)cc1 ZINC000097048072 384600985 /nfs/dbraw/zinc/60/09/85/384600985.db2.gz JOSPLTTYVNWJOK-UHFFFAOYSA-N 0 0 215.300 2.383 50 0 BEAARN O=C([C@@H]1CCCOC1)N1CCc2ccccc21 ZINC000082321791 384665672 /nfs/dbraw/zinc/66/56/72/384665672.db2.gz UTEDWBQONWOKIN-GFCCVEGCSA-N 0 0 231.295 2.002 50 0 BEAARN CCOP(=O)(OCC)[C@@H](N)C(F)(F)F ZINC000020840877 384634874 /nfs/dbraw/zinc/63/48/74/384634874.db2.gz BPFUBLZRCYWAEB-RXMQYKEDSA-N 0 0 235.142 2.100 50 0 BEAARN C[C@H](C(N)=O)c1ccccc1Br ZINC000082094884 384647583 /nfs/dbraw/zinc/64/75/83/384647583.db2.gz IQKONPFMPIFWCO-LURJTMIESA-N 0 0 228.089 2.038 50 0 BEAARN COC(=O)c1cccc(C(F)(F)F)c1N ZINC000021304542 384662180 /nfs/dbraw/zinc/66/21/80/384662180.db2.gz COTQUWGKILPGMY-UHFFFAOYSA-N 0 0 219.162 2.074 50 0 BEAARN O=Cc1c(Cl)nc(Cl)nc1Cl ZINC000022007256 384723950 /nfs/dbraw/zinc/72/39/50/384723950.db2.gz KVJIRFGNHAAUNQ-UHFFFAOYSA-N 0 0 211.435 2.249 50 0 BEAARN C[C@@H]1C[C@H](CO)CCN1C(=O)OC(C)(C)C ZINC000141979750 384690966 /nfs/dbraw/zinc/69/09/66/384690966.db2.gz LXOVPEAYTWFSBI-NXEZZACHSA-N 0 0 229.320 2.014 50 0 BEAARN CCCCCNC(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000095457442 384701315 /nfs/dbraw/zinc/70/13/15/384701315.db2.gz LTQQKJNFFYXPSP-NWDGAFQWSA-N 0 0 242.363 2.291 50 0 BEAARN O=S(=O)(CC1CC1)c1ccc(F)cc1 ZINC000082818166 384717282 /nfs/dbraw/zinc/71/72/82/384717282.db2.gz VHUAKPLZMGWJKW-UHFFFAOYSA-N 0 0 214.261 2.009 50 0 BEAARN C[C@](O)(CNc1ccccn1)c1ccccc1 ZINC000079311312 384718277 /nfs/dbraw/zinc/71/82/77/384718277.db2.gz JLGQVLSMOLMIDA-AWEZNQCLSA-N 0 0 228.295 2.401 50 0 BEAARN Cn1cccc1C(=O)OCC1CCSCC1 ZINC000080359878 384721838 /nfs/dbraw/zinc/72/18/38/384721838.db2.gz SXGNBXIIYHAJLJ-UHFFFAOYSA-N 0 0 239.340 2.325 50 0 BEAARN Cc1ccc(NC(=O)NCc2ncc[nH]2)cc1 ZINC000080606710 384732311 /nfs/dbraw/zinc/73/23/11/384732311.db2.gz RQNRFVTUDRMBCG-UHFFFAOYSA-N 0 0 230.271 2.040 50 0 BEAARN O=C1CCc2c3cc(F)ccc3[nH]c2C1 ZINC000143966256 384747590 /nfs/dbraw/zinc/74/75/90/384747590.db2.gz FDSLTFNSGDJPLV-UHFFFAOYSA-N 0 0 203.216 2.365 50 0 BEAARN CCCC[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000087223906 384757076 /nfs/dbraw/zinc/75/70/76/384757076.db2.gz YKXJUCYFHWVGPW-UHFFFAOYSA-N 0 0 222.288 2.012 50 0 BEAARN Cc1ccc(OCCN2CCOCC2)c(C)c1 ZINC000022385610 384760409 /nfs/dbraw/zinc/76/04/09/384760409.db2.gz ASMMROXACKOGJY-UHFFFAOYSA-N 0 0 235.327 2.014 50 0 BEAARN Cc1cc(-c2nc(-c3cnccn3)no2)c(C)o1 ZINC000084510960 384761773 /nfs/dbraw/zinc/76/17/73/384761773.db2.gz BYPBZNZVUMMFBE-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN CC[C@@H](CCO)NC(=O)[C@@H](CC)c1ccccc1 ZINC000084733310 384763354 /nfs/dbraw/zinc/76/33/54/384763354.db2.gz QPVWTYMPZPFXNL-KBPBESRZSA-N 0 0 249.354 2.457 50 0 BEAARN CCC[C@H](C)N(C)C(=O)/C=C/c1cnccn1 ZINC000084740159 384763805 /nfs/dbraw/zinc/76/38/05/384763805.db2.gz RYIXLLPPKHSUDY-MLRMMBSGSA-N 0 0 233.315 2.137 50 0 BEAARN COC(C)(C)c1noc(-c2ccc(C)nc2)n1 ZINC000085237212 384767873 /nfs/dbraw/zinc/76/78/73/384767873.db2.gz MPBSIPFJPBQQGZ-UHFFFAOYSA-N 0 0 233.271 2.322 50 0 BEAARN Cc1csc([C@@H](C)CNC(=O)c2ccc[nH]2)n1 ZINC000186059658 384816712 /nfs/dbraw/zinc/81/67/12/384816712.db2.gz GNTFYAHCPBKCHT-QMMMGPOBSA-N 0 0 249.339 2.313 50 0 BEAARN Cc1csc([C@H](C)CNC(=O)c2ccc[nH]2)n1 ZINC000186059679 384816927 /nfs/dbraw/zinc/81/69/27/384816927.db2.gz GNTFYAHCPBKCHT-MRVPVSSYSA-N 0 0 249.339 2.313 50 0 BEAARN O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000084011581 384828121 /nfs/dbraw/zinc/82/81/21/384828121.db2.gz FJMJOYQGUPTRDF-NWDGAFQWSA-N 0 0 219.284 2.030 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000084011583 384828210 /nfs/dbraw/zinc/82/82/10/384828210.db2.gz FJMJOYQGUPTRDF-NEPJUHHUSA-N 0 0 219.284 2.030 50 0 BEAARN Cc1cc(N)nn1-c1cc(C)cc(C)c1 ZINC000054404743 384835038 /nfs/dbraw/zinc/83/50/38/384835038.db2.gz TUNQMGFBBLTUQR-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000236883632 384781258 /nfs/dbraw/zinc/78/12/58/384781258.db2.gz NRNKRRANLHYVCP-ZDUSSCGKSA-N 0 0 249.310 2.307 50 0 BEAARN COCc1noc(C2(c3ccc(F)cc3)CC2)n1 ZINC000089420408 384786842 /nfs/dbraw/zinc/78/68/42/384786842.db2.gz FUVJOUPTEOUELZ-UHFFFAOYSA-N 0 0 248.257 2.435 50 0 BEAARN COCOc1ccc(C=O)cc1Br ZINC000083748984 384795539 /nfs/dbraw/zinc/79/55/39/384795539.db2.gz WZLQQALKAOQXDZ-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN Nc1nnc(SCC2CCC2)s1 ZINC000083839268 384802911 /nfs/dbraw/zinc/80/29/11/384802911.db2.gz IAGNYMJXYAERDJ-UHFFFAOYSA-N 0 0 201.320 2.013 50 0 BEAARN O=Cc1cc(=O)c(OCc2ccccc2)co1 ZINC000026423648 384874171 /nfs/dbraw/zinc/87/41/71/384874171.db2.gz NKYLVJVQGOBKLI-UHFFFAOYSA-N 0 0 230.219 2.031 50 0 BEAARN O=C(/C=C/c1ccco1)N1CCSC1=S ZINC000026476439 384877829 /nfs/dbraw/zinc/87/78/29/384877829.db2.gz MRZXFMTWTDVYBS-ONEGZZNKSA-N 0 0 239.321 2.153 50 0 BEAARN Cc1ccoc1C(=O)NCC1CC(F)(F)C1 ZINC000298188886 384884498 /nfs/dbraw/zinc/88/44/98/384884498.db2.gz BBFJAVMYAOHFQG-UHFFFAOYSA-N 0 0 229.226 2.363 50 0 BEAARN CCCCC(=O)N1CCC[C@H](OCC)C1 ZINC000126910946 384840802 /nfs/dbraw/zinc/84/08/02/384840802.db2.gz BZHAFOXGJAEVRX-NSHDSACASA-N 0 0 213.321 2.204 50 0 BEAARN CC(C)[C@@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C ZINC000084249953 384853528 /nfs/dbraw/zinc/85/35/28/384853528.db2.gz JZWRCXLLTHEQOW-VHSXEESVSA-N 0 0 229.320 2.013 50 0 BEAARN Cc1cc(CN2CCC[C@H]2c2cnn(C)c2)on1 ZINC000072255078 384861898 /nfs/dbraw/zinc/86/18/98/384861898.db2.gz LQXPGNUMVZHOED-ZDUSSCGKSA-N 0 0 246.314 2.054 50 0 BEAARN C[C@@H](O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000057523005 384952603 /nfs/dbraw/zinc/95/26/03/384952603.db2.gz KMLRVMPNRXYAPK-RXMQYKEDSA-N 0 0 234.082 2.313 50 0 BEAARN CC(C)C(=O)N[C@@H](C)COc1ccccc1 ZINC000055731009 384893726 /nfs/dbraw/zinc/89/37/26/384893726.db2.gz OFIACEUPSHGZOL-NSHDSACASA-N 0 0 221.300 2.226 50 0 BEAARN Cc1sc(N)nc1-c1ccccc1O ZINC000084847012 384903346 /nfs/dbraw/zinc/90/33/46/384903346.db2.gz FWLBNNDUEUNILO-UHFFFAOYSA-N 0 0 206.270 2.406 50 0 BEAARN CS[C@@H](C)CNC(=O)/C=C/c1ccc(C)o1 ZINC000095434445 384910009 /nfs/dbraw/zinc/91/00/09/384910009.db2.gz RUMOBWPMGPDVIL-FGEFZZPRSA-N 0 0 239.340 2.469 50 0 BEAARN CNC(=O)c1ccc(/C=C/c2ccncn2)cc1 ZINC000157360904 384919820 /nfs/dbraw/zinc/91/98/20/384919820.db2.gz VWDCIDAAMLKSDJ-QPJJXVBHSA-N 0 0 239.278 2.007 50 0 BEAARN COC(=O)c1cccn1Cc1ccc(OC)cc1 ZINC000085210080 384927921 /nfs/dbraw/zinc/92/79/21/384927921.db2.gz QHDUUWCBGIIELM-UHFFFAOYSA-N 0 0 245.278 2.332 50 0 BEAARN C/C=C\c1cc(C(=O)NC)cc(OC)c1OC ZINC000096305238 384929796 /nfs/dbraw/zinc/92/97/96/384929796.db2.gz HRHYWTRBDGODFH-WAYWQWQTSA-N 0 0 235.283 2.097 50 0 BEAARN CCc1ccc(C(=O)c2ncco2)cc1 ZINC000085651147 384960010 /nfs/dbraw/zinc/96/00/10/384960010.db2.gz RGPPIWUQJCYSKX-UHFFFAOYSA-N 0 0 201.225 2.468 50 0 BEAARN COCc1ccccc1NC(=O)c1cc(C)[nH]n1 ZINC000072272880 384937392 /nfs/dbraw/zinc/93/73/92/384937392.db2.gz ZGJKCVXKOJXBPZ-UHFFFAOYSA-N 0 0 245.282 2.117 50 0 BEAARN O=C(c1ncco1)c1cc(F)cc(F)c1 ZINC000085651173 384960262 /nfs/dbraw/zinc/96/02/62/384960262.db2.gz UHAJIVGLVWBQGR-UHFFFAOYSA-N 0 0 209.151 2.184 50 0 BEAARN CCc1c(C)ncnc1-n1nc(C)cc1C ZINC000085367611 384941930 /nfs/dbraw/zinc/94/19/30/384941930.db2.gz ZIYKPSOMMYJXTB-UHFFFAOYSA-N 0 0 216.288 2.150 50 0 BEAARN c1coc(-c2nnc(CN3CCCCC3)o2)c1 ZINC000058013670 384980959 /nfs/dbraw/zinc/98/09/59/384980959.db2.gz OAJKJEQUIGINJE-UHFFFAOYSA-N 0 0 233.271 2.316 50 0 BEAARN CCCCNC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000002811970 384990029 /nfs/dbraw/zinc/99/00/29/384990029.db2.gz SGVTYGFNJXDUOE-GHMZBOCLSA-N 0 0 212.337 2.474 50 0 BEAARN COC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000058365039 384999007 /nfs/dbraw/zinc/99/90/07/384999007.db2.gz HXSDGXAMUPIVHZ-DRZSPHRISA-N 0 0 233.311 2.146 50 0 BEAARN Cc1noc([C@H](C)NC(=O)Nc2ccccc2)n1 ZINC000058439285 385005909 /nfs/dbraw/zinc/00/59/09/385005909.db2.gz GKDSZUAHMZKJBB-QMMMGPOBSA-N 0 0 246.270 2.261 50 0 BEAARN CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000072381438 385014362 /nfs/dbraw/zinc/01/43/62/385014362.db2.gz QEVPEZHUROEIBA-JTQLQIEISA-N 0 0 224.329 2.177 50 0 BEAARN FCCCSc1nccn2ccnc12 ZINC000193577381 385023196 /nfs/dbraw/zinc/02/31/96/385023196.db2.gz DZTUUCSZGDCVSG-UHFFFAOYSA-N 0 0 211.265 2.181 50 0 BEAARN O=C(/C=C\c1cccnc1)Nc1ccncc1 ZINC000098054702 385016444 /nfs/dbraw/zinc/01/64/44/385016444.db2.gz DJSBVJPSGLNANG-ARJAWSKDSA-N 0 0 225.251 2.129 50 0 BEAARN Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062133384 385066679 /nfs/dbraw/zinc/06/66/79/385066679.db2.gz KHIQGGKSVSXEDM-CYBMUJFWSA-N 0 0 233.311 2.210 50 0 BEAARN COC(=O)CCSCc1csc(C)n1 ZINC000058850304 385028188 /nfs/dbraw/zinc/02/81/88/385028188.db2.gz CIQQMPZSNIVTIK-UHFFFAOYSA-N 0 0 231.342 2.248 50 0 BEAARN CC(C)n1c2ccc(N)cc2sc1=O ZINC000067630879 385031801 /nfs/dbraw/zinc/03/18/01/385031801.db2.gz GRCUAQZMYNLZIR-UHFFFAOYSA-N 0 0 208.286 2.226 50 0 BEAARN CC(=O)c1c(O)ccc2cc(O)ccc21 ZINC000032223114 385137677 /nfs/dbraw/zinc/13/76/77/385137677.db2.gz BXEYIDZNPJQWFK-UHFFFAOYSA-N 0 0 202.209 2.454 50 0 BEAARN C[C@H](CCO)Nc1cccc(C(F)(F)F)n1 ZINC000096419438 385145660 /nfs/dbraw/zinc/14/56/60/385145660.db2.gz JQSOKKHRWVUJDT-SSDOTTSWSA-N 0 0 234.221 2.283 50 0 BEAARN Cc1nc(CN(CCCCO)C2CC2)cs1 ZINC000096421145 385146666 /nfs/dbraw/zinc/14/66/66/385146666.db2.gz IACVAFQENOWRTN-UHFFFAOYSA-N 0 0 240.372 2.188 50 0 BEAARN Cc1noc(-c2cc(=O)c3ccccc3o2)n1 ZINC000061957944 385146745 /nfs/dbraw/zinc/14/67/45/385146745.db2.gz WHXALEIGWUHVSU-UHFFFAOYSA-N 0 0 228.207 2.151 50 0 BEAARN Nc1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000061957799 385147010 /nfs/dbraw/zinc/14/70/10/385147010.db2.gz ZYFLPSDJBVAMNC-UHFFFAOYSA-N 0 0 228.230 2.118 50 0 BEAARN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC ZINC000096430549 385167565 /nfs/dbraw/zinc/16/75/65/385167565.db2.gz JQMZCEGGYKZIQL-AXFHLTTASA-N 0 0 213.321 2.106 50 0 BEAARN c1cnc(N[C@H]2COC3(C2)CCCCC3)cn1 ZINC000032553364 385169314 /nfs/dbraw/zinc/16/93/14/385169314.db2.gz KHIXGRCKMMZUMX-LLVKDONJSA-N 0 0 233.315 2.380 50 0 BEAARN CO[C@@H](C)CCOC(=O)c1ccc(Cl)cn1 ZINC000096442873 385170950 /nfs/dbraw/zinc/17/09/50/385170950.db2.gz ZQJNYPUOAHHGLV-QMMMGPOBSA-N 0 0 243.690 2.317 50 0 BEAARN Nc1nc2cc(C(F)(F)F)ccc2o1 ZINC000062522682 385175298 /nfs/dbraw/zinc/17/52/98/385175298.db2.gz JTDXQCUQIUYDDA-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN O=C(OCC[C@@H]1CCCO1)c1ccsc1 ZINC000096453079 385175563 /nfs/dbraw/zinc/17/55/63/385175563.db2.gz DJVCNSFVRWXGHD-JTQLQIEISA-N 0 0 226.297 2.474 50 0 BEAARN CSC[C@@H](C)OC(=O)c1cc(C(C)C)[nH]n1 ZINC000096452580 385175571 /nfs/dbraw/zinc/17/55/71/385175571.db2.gz VMHXGRSNFSWUHT-MRVPVSSYSA-N 0 0 242.344 2.441 50 0 BEAARN O=C(OCC[C@H]1CCCO1)c1ccsc1 ZINC000096453080 385175718 /nfs/dbraw/zinc/17/57/18/385175718.db2.gz DJVCNSFVRWXGHD-SNVBAGLBSA-N 0 0 226.297 2.474 50 0 BEAARN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccoc1 ZINC000096454455 385175830 /nfs/dbraw/zinc/17/58/30/385175830.db2.gz OHUVNAZTIWFMJE-PWSUYJOCSA-N 0 0 237.299 2.071 50 0 BEAARN CC(C)c1cccc2c1OCC[C@H](N)C2=O ZINC000062626080 385179235 /nfs/dbraw/zinc/17/92/35/385179235.db2.gz WCXCDHZTGKZZSO-NSHDSACASA-N 0 0 219.284 2.103 50 0 BEAARN C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1 ZINC000000474477 385211049 /nfs/dbraw/zinc/21/10/49/385211049.db2.gz IMKSUXZGXPOISN-CMPLNLGQSA-N 0 0 219.284 2.043 50 0 BEAARN O=C(c1ccncc1F)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089884887 385212635 /nfs/dbraw/zinc/21/26/35/385212635.db2.gz QHFNMLSCKTZUKM-PHIMTYICSA-N 0 0 248.301 2.483 50 0 BEAARN Cn1cc(CNc2nnc(CC(C)(C)C)o2)cn1 ZINC000096495390 385232074 /nfs/dbraw/zinc/23/20/74/385232074.db2.gz IDIUDDWNQRNORF-UHFFFAOYSA-N 0 0 249.318 2.004 50 0 BEAARN CCOc1cccc(CS[C@H](C)[C@H](C)O)n1 ZINC000096501861 385238464 /nfs/dbraw/zinc/23/84/64/385238464.db2.gz RTIVVQCNMHZMME-VHSXEESVSA-N 0 0 241.356 2.483 50 0 BEAARN CC[C@@H](NC(C)=O)c1ccc(OC)cc1 ZINC000034451694 385241363 /nfs/dbraw/zinc/24/13/63/385241363.db2.gz DDGIFDZDCCOYQM-GFCCVEGCSA-N 0 0 207.273 2.282 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)O[C@H]1CCOC1 ZINC000078612264 385242697 /nfs/dbraw/zinc/24/26/97/385242697.db2.gz NIWVXTOQKJEUMV-UXONFWTHSA-N 0 0 236.242 2.171 50 0 BEAARN CC(=O)c1ccn(-c2cccc([C@@H](C)O)c2)n1 ZINC000065396161 385304524 /nfs/dbraw/zinc/30/45/24/385304524.db2.gz NRYSBWAAPFKLOH-SECBINFHSA-N 0 0 230.267 2.128 50 0 BEAARN CC(C)Cc1nnc(CSc2ncccn2)[nH]1 ZINC000065410183 385307147 /nfs/dbraw/zinc/30/71/47/385307147.db2.gz YPVYELAKPCMDAJ-UHFFFAOYSA-N 0 0 249.343 2.086 50 0 BEAARN Cc1cc(=O)c2cc(-n3cccn3)ccc2[nH]1 ZINC000065532531 385322866 /nfs/dbraw/zinc/32/28/66/385322866.db2.gz QHXYXXIDDRTFOS-UHFFFAOYSA-N 0 0 225.251 2.022 50 0 BEAARN COC(=O)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000000466146 385279755 /nfs/dbraw/zinc/27/97/55/385279755.db2.gz ORWUTZSBMBWAAT-UHFFFAOYSA-N 0 0 248.326 2.192 50 0 BEAARN COC(=O)[C@H]1C[C@@H](C)Nc2ccccc21 ZINC000034451445 385283190 /nfs/dbraw/zinc/28/31/90/385283190.db2.gz HUSNZWYHFRIZPG-SCZZXKLOSA-N 0 0 205.257 2.147 50 0 BEAARN CC(C)c1ccccc1OCC(=O)N(C)C ZINC000065363180 385300957 /nfs/dbraw/zinc/30/09/57/385300957.db2.gz NNRUFAQKRZQPJM-UHFFFAOYSA-N 0 0 221.300 2.277 50 0 BEAARN Cc1ccc(C(=O)NC2=NCCS2)cc1C ZINC000000513791 385361444 /nfs/dbraw/zinc/36/14/44/385361444.db2.gz RSDCNJFJDWOUIZ-UHFFFAOYSA-N 0 0 234.324 2.136 50 0 BEAARN Cc1cnccc1C(=O)N1CCC=C(F)C1 ZINC000274724060 385411582 /nfs/dbraw/zinc/41/15/82/385411582.db2.gz SQIFUSBEFCFSAV-UHFFFAOYSA-N 0 0 220.247 2.089 50 0 BEAARN O=C1NC2(CCCCC2)[C@@H]1Oc1ccc(F)cc1 ZINC000169676548 385416613 /nfs/dbraw/zinc/41/66/13/385416613.db2.gz HLQKQWJCLMLDGC-GFCCVEGCSA-N 0 0 249.285 2.406 50 0 BEAARN COC1(CNC(=O)N2CCCCCC2)CCC1 ZINC000181801017 385417556 /nfs/dbraw/zinc/41/75/56/385417556.db2.gz WZRUYVRBDCQOSS-UHFFFAOYSA-N 0 0 240.347 2.141 50 0 BEAARN Fc1ccc(N2CCC(F)(F)C2)nc1 ZINC000169725458 385419186 /nfs/dbraw/zinc/41/91/86/385419186.db2.gz ANEPMQMQGRBLIV-UHFFFAOYSA-N 0 0 202.179 2.066 50 0 BEAARN COC(=O)c1c2n[nH]cc2ccc1Cl ZINC000170594081 385432224 /nfs/dbraw/zinc/43/22/24/385432224.db2.gz SSUOVKGIJZSWMT-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CC1=C(C(=O)Nc2cccnc2)CCCO1 ZINC000157572988 385509439 /nfs/dbraw/zinc/50/94/39/385509439.db2.gz OIPAYJQENVOCLW-UHFFFAOYSA-N 0 0 218.256 2.105 50 0 BEAARN CC(C)CCNS(=O)(=O)c1ccccc1F ZINC000003369502 385532108 /nfs/dbraw/zinc/53/21/08/385532108.db2.gz AYQHLLVKNMSZFZ-UHFFFAOYSA-N 0 0 245.319 2.150 50 0 BEAARN Cc1nc(N)ccc1-c1cccc(O)c1 ZINC000065384921 385627179 /nfs/dbraw/zinc/62/71/79/385627179.db2.gz ZSXJCTUIXSHRMW-UHFFFAOYSA-N 0 0 200.241 2.345 50 0 BEAARN C[C@@H](NC(=O)c1ccco1)C(C)(F)F ZINC000307268956 385671950 /nfs/dbraw/zinc/67/19/50/385671950.db2.gz GJPBMODLGXFBGN-ZCFIWIBFSA-N 0 0 203.188 2.053 50 0 BEAARN CC/C=C1/CC(=O)N(c2ccccc2)C1=O ZINC000005347175 385678524 /nfs/dbraw/zinc/67/85/24/385678524.db2.gz GARIPDSXVQLSGQ-POHAHGRESA-N 0 0 215.252 2.286 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCO1 ZINC000001054237 385729676 /nfs/dbraw/zinc/72/96/76/385729676.db2.gz UXYQSLYRJLGZGN-MFKMUULPSA-N 0 0 231.295 2.143 50 0 BEAARN COC[C@@H](C)SCc1cc(OC)ccn1 ZINC000095944914 385755588 /nfs/dbraw/zinc/75/55/88/385755588.db2.gz NNFPHWUKGRIAAM-SECBINFHSA-N 0 0 227.329 2.358 50 0 BEAARN CC(C)(C)OC(=O)NCC1=CCC(=O)S1 ZINC000261493406 385815310 /nfs/dbraw/zinc/81/53/10/385815310.db2.gz ALNSMJQTBWBPIK-UHFFFAOYSA-N 0 0 229.301 2.478 50 0 BEAARN C[C@@]1(NC(=O)[C@@H]2CC2(F)F)CC=CCC1 ZINC000334774055 385827958 /nfs/dbraw/zinc/82/79/58/385827958.db2.gz KHHOWVUWJWDENE-WCBMZHEXSA-N 0 0 215.243 2.257 50 0 BEAARN O=C(NC1(C(F)F)CC1)[C@]12C[C@H]1CCC2 ZINC000335034389 385923449 /nfs/dbraw/zinc/92/34/49/385923449.db2.gz QWWUBSZCFPBBIY-GMSGAONNSA-N 0 0 215.243 2.091 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000262677907 385872748 /nfs/dbraw/zinc/87/27/48/385872748.db2.gz UULAQUWBKLGTQA-WZRBSPASSA-N 0 0 233.311 2.338 50 0 BEAARN O=C(NCc1ccsc1)c1cc(F)c[nH]1 ZINC000335068266 386011071 /nfs/dbraw/zinc/01/10/71/386011071.db2.gz IOVRVYXISFPACE-UHFFFAOYSA-N 0 0 224.260 2.145 50 0 BEAARN CSCCC(=O)N1CCCC[C@H]1C ZINC000033028664 386017927 /nfs/dbraw/zinc/01/79/27/386017927.db2.gz GAXNTOKKNVMPNH-SECBINFHSA-N 0 0 201.335 2.141 50 0 BEAARN Cc1ccn(CC2CC(F)(F)C2)c(=O)c1 ZINC000334577659 386034315 /nfs/dbraw/zinc/03/43/15/386034315.db2.gz FBQCIXVWULEXEK-UHFFFAOYSA-N 0 0 213.227 2.202 50 0 BEAARN CCCCC(=O)N1CC[C@H](SC)C1 ZINC000225614312 386054590 /nfs/dbraw/zinc/05/45/90/386054590.db2.gz ZHYFERAKWCPOCA-VIFPVBQESA-N 0 0 201.335 2.141 50 0 BEAARN CC(=O)c1csc(NC(=O)c2ccoc2)n1 ZINC000026867393 386102683 /nfs/dbraw/zinc/10/26/83/386102683.db2.gz VYNNZSCOYSVOMQ-UHFFFAOYSA-N 0 0 236.252 2.191 50 0 BEAARN Cc1ccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(C)c1 ZINC000223475013 386088011 /nfs/dbraw/zinc/08/80/11/386088011.db2.gz RFYNZAQFIWBPCK-RDBSUJKOSA-N 0 0 245.322 2.211 50 0 BEAARN O=C1OCC[C@H]1Sc1ncnc2ccccc21 ZINC000003295066 386090313 /nfs/dbraw/zinc/09/03/13/386090313.db2.gz AUNNEOARXBVGRF-SNVBAGLBSA-N 0 0 246.291 2.037 50 0 BEAARN O=C1c2ccccc2[C@@H](O)N1Cc1cccs1 ZINC000004108791 386174744 /nfs/dbraw/zinc/17/47/44/386174744.db2.gz OSDOXTSQSIHFHD-GFCCVEGCSA-N 0 0 245.303 2.395 50 0 BEAARN O=C([O-])CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000130889162 386188828 /nfs/dbraw/zinc/18/88/28/386188828.db2.gz FNWNQNGROOVXSJ-CQSZACIVSA-N 0 0 247.338 2.416 50 0 BEAARN Cn1ncc2c1ncnc2N1CCCCCCC1 ZINC000012485107 386204419 /nfs/dbraw/zinc/20/44/19/386204419.db2.gz LJPXTYRJSWEVGT-UHFFFAOYSA-N 0 0 245.330 2.134 50 0 BEAARN CCONC(=O)CCc1ccccc1Cl ZINC000040489434 386205408 /nfs/dbraw/zinc/20/54/08/386205408.db2.gz CAETUVIXFGJKMS-UHFFFAOYSA-N 0 0 227.691 2.340 50 0 BEAARN Cn1cc(Oc2ccc(C(F)(F)F)nn2)cn1 ZINC000225712716 386212589 /nfs/dbraw/zinc/21/25/89/386212589.db2.gz GUKNNLVMVLAWMD-UHFFFAOYSA-N 0 0 244.176 2.021 50 0 BEAARN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CO ZINC000040556055 386222644 /nfs/dbraw/zinc/22/26/44/386222644.db2.gz ZEAJEQJYNLTHNX-GFCCVEGCSA-N 0 0 238.327 2.025 50 0 BEAARN Cc1cnc(CN[C@H](C)c2nccn2C)s1 ZINC000095985048 386228004 /nfs/dbraw/zinc/22/80/04/386228004.db2.gz NRQVHQPBJCNHLB-SECBINFHSA-N 0 0 236.344 2.036 50 0 BEAARN FC(F)(Cl)c1nnc2ccc(Cl)nn21 ZINC000001403890 386233533 /nfs/dbraw/zinc/23/35/33/386233533.db2.gz LJXFPGTUUSLVHF-UHFFFAOYSA-N 0 0 239.012 2.066 50 0 BEAARN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)n1cccn1 ZINC000298246584 386315194 /nfs/dbraw/zinc/31/51/94/386315194.db2.gz VKPKOVXGEYVTHX-GRYCIOLGSA-N 0 0 235.331 2.139 50 0 BEAARN CN(CC(F)F)C(=O)[C@H]1Cc2ccccc21 ZINC000334490788 386342710 /nfs/dbraw/zinc/34/27/10/386342710.db2.gz VMYISIDIBHRUCG-JTQLQIEISA-N 0 0 225.238 2.050 50 0 BEAARN COCc1ccc(C(=O)O[C@H](C)COC)cc1 ZINC000073834556 386346167 /nfs/dbraw/zinc/34/61/67/386346167.db2.gz BTMQLLLKJGEJNS-SNVBAGLBSA-N 0 0 238.283 2.025 50 0 BEAARN C[C@H](Sc1ccccc1)C(=O)N1CCC1 ZINC000012914203 386412469 /nfs/dbraw/zinc/41/24/69/386412469.db2.gz QTMPPWMLGUPUJP-JTQLQIEISA-N 0 0 221.325 2.400 50 0 BEAARN CC[C@@H](C(=O)[O-])[N@@H+]1CCc2cccc(F)c2C1 ZINC000263574606 386473357 /nfs/dbraw/zinc/47/33/57/386473357.db2.gz NSZFMXWIKCPPAW-LBPRGKRZSA-N 0 0 237.274 2.047 50 0 BEAARN CCOCCNC(=O)Nc1c(F)cccc1F ZINC000045643136 386531934 /nfs/dbraw/zinc/53/19/34/386531934.db2.gz CRQPRDCDYFHDSV-UHFFFAOYSA-N 0 0 244.241 2.123 50 0 BEAARN CC(C)CC1(CNC(=O)C2(C)COC2)CCC1 ZINC000360044475 386541236 /nfs/dbraw/zinc/54/12/36/386541236.db2.gz KTRBLHFXBKZVFO-UHFFFAOYSA-N 0 0 239.359 2.356 50 0 BEAARN CSCC(=O)N[C@@H](C)c1ccccc1 ZINC000046465094 386637732 /nfs/dbraw/zinc/63/77/32/386637732.db2.gz MDWKZQNRLVPHFE-VIFPVBQESA-N 0 0 209.314 2.227 50 0 BEAARN O=CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001711662 386646126 /nfs/dbraw/zinc/64/61/26/386646126.db2.gz MDMMYRFYWOFYSV-UHFFFAOYSA-N 0 0 203.024 2.375 50 0 BEAARN O=C(C1CCCC1)N1CC(CC(F)F)C1 ZINC000335488658 386605355 /nfs/dbraw/zinc/60/53/55/386605355.db2.gz KCEMGGGECOEJGS-UHFFFAOYSA-N 0 0 217.259 2.290 50 0 BEAARN COc1ccc(OCc2noc(C(C)C)n2)cn1 ZINC000585123099 386675801 /nfs/dbraw/zinc/67/58/01/386675801.db2.gz VFRUJNKUVMRNMC-UHFFFAOYSA-N 0 0 249.270 2.176 50 0 BEAARN Cc1nc2c(cccc2NC(=O)[C@H]2CCCO2)o1 ZINC000585124821 386678233 /nfs/dbraw/zinc/67/82/33/386678233.db2.gz UNZDRXWOQCVABJ-LLVKDONJSA-N 0 0 246.266 2.254 50 0 BEAARN CC(C)(C)CCC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000330987626 386735239 /nfs/dbraw/zinc/73/52/39/386735239.db2.gz LPMCQSIFABXVMU-LLVKDONJSA-N 0 0 249.358 2.210 50 0 BEAARN O=c1c(-c2ccccc2)cnc2n1CCS2 ZINC000004072980 386737506 /nfs/dbraw/zinc/73/75/06/386737506.db2.gz GQWKEFQXORMYTP-UHFFFAOYSA-N 0 0 230.292 2.016 50 0 BEAARN C[C@@]1(NC(=O)[C@H]2CC2(F)F)CC=CCC1 ZINC000334774053 386824934 /nfs/dbraw/zinc/82/49/34/386824934.db2.gz KHHOWVUWJWDENE-PSASIEDQSA-N 0 0 215.243 2.257 50 0 BEAARN O=C(NC1CC1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000334560452 386802186 /nfs/dbraw/zinc/80/21/86/386802186.db2.gz OCRKYZKNOTXOHN-DGCLKSJQSA-N 0 0 219.259 2.150 50 0 BEAARN Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)no1 ZINC000051996177 386806765 /nfs/dbraw/zinc/80/67/65/386806765.db2.gz YZNQZLISJYICKU-QWHCGFSZSA-N 0 0 236.315 2.126 50 0 BEAARN Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)on1 ZINC000051996437 386809194 /nfs/dbraw/zinc/80/91/94/386809194.db2.gz LARYEZURLACHHL-STQMWFEESA-N 0 0 236.315 2.126 50 0 BEAARN COC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000012894020 386840007 /nfs/dbraw/zinc/84/00/07/386840007.db2.gz BDZXERTZRHEVKQ-UHFFFAOYSA-N 0 0 235.283 2.265 50 0 BEAARN Fc1cc(F)cc(CSc2nc[nH]n2)c1 ZINC000335748589 386873251 /nfs/dbraw/zinc/87/32/51/386873251.db2.gz LTVARMWDOOCPLY-UHFFFAOYSA-N 0 0 227.239 2.375 50 0 BEAARN Cc1cnc(CNc2ccc(C)nc2C)n1C ZINC000341339651 386885536 /nfs/dbraw/zinc/88/55/36/386885536.db2.gz AEDKIOLLJSYWNV-UHFFFAOYSA-N 0 0 230.315 2.352 50 0 BEAARN CCc1cc2c(ncnc2N[C@@H](C)CO)s1 ZINC000075136735 386979245 /nfs/dbraw/zinc/97/92/45/386979245.db2.gz JNCZDNXLXATLCV-ZETCQYMHSA-N 0 0 237.328 2.046 50 0 BEAARN COc1ncccc1NC(=O)C[C@H]1C=CCC1 ZINC000047554094 386993936 /nfs/dbraw/zinc/99/39/36/386993936.db2.gz SCHDUQCXDQJRFQ-JTQLQIEISA-N 0 0 232.283 2.385 50 0 BEAARN Cc1ccsc1[C@@H](O)CNC(=O)C(C)(C)C ZINC000075155195 387059117 /nfs/dbraw/zinc/05/91/17/387059117.db2.gz HCJYDPZJDCODEN-VIFPVBQESA-N 0 0 241.356 2.252 50 0 BEAARN CSCC[C@@](C)(O)CNC(=O)CC(C)(C)C ZINC000075157387 387061144 /nfs/dbraw/zinc/06/11/44/387061144.db2.gz WEWWUFZFLLCNIN-GFCCVEGCSA-N 0 0 247.404 2.043 50 0 BEAARN CC(C)NC(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000334977211 387063191 /nfs/dbraw/zinc/06/31/91/387063191.db2.gz BAZFDZONYXJPIG-QMMMGPOBSA-N 0 0 220.263 2.082 50 0 BEAARN CC(C)CC(=O)N1CC[C@H](OCC2CC2)C1 ZINC000575414420 387014447 /nfs/dbraw/zinc/01/44/47/387014447.db2.gz JPQKJDRAZKVUNP-LBPRGKRZSA-N 0 0 225.332 2.060 50 0 BEAARN CC(C)(C)NC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000074629815 387014916 /nfs/dbraw/zinc/01/49/16/387014916.db2.gz VBVWIAUMCIBDSW-UHFFFAOYSA-N 0 0 244.298 2.000 50 0 BEAARN CN(Cc1ccncc1)C(=O)Cc1cccs1 ZINC000047632365 387015347 /nfs/dbraw/zinc/01/53/47/387015347.db2.gz QSELLROWFOYJNS-UHFFFAOYSA-N 0 0 246.335 2.344 50 0 BEAARN CONC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000075145513 387024474 /nfs/dbraw/zinc/02/44/74/387024474.db2.gz JXGWIUBHSFLJMT-VHSXEESVSA-N 0 0 240.690 2.057 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000032981940 387145322 /nfs/dbraw/zinc/14/53/22/387145322.db2.gz LCAGTUYVRBIWJP-JQWIXIFHSA-N 0 0 203.285 2.267 50 0 BEAARN CC(C)(O)CSc1nnc(C2CC2)s1 ZINC000074796593 387151557 /nfs/dbraw/zinc/15/15/57/387151557.db2.gz WEHOWACBIHGAAZ-UHFFFAOYSA-N 0 0 230.358 2.279 50 0 BEAARN O=C([O-])[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000129728556 387157991 /nfs/dbraw/zinc/15/79/91/387157991.db2.gz DFKKUEFSFQEOQT-CYBMUJFWSA-N 0 0 245.322 2.373 50 0 BEAARN Cc1nsc(N2CCC[C@H](C)CC2)n1 ZINC000089721353 387182961 /nfs/dbraw/zinc/18/29/61/387182961.db2.gz SKHCOBTWCXTMMX-QMMMGPOBSA-N 0 0 211.334 2.473 50 0 BEAARN CCO[C@H](C)c1nccn1Cc1cc(C)on1 ZINC000089521636 387133334 /nfs/dbraw/zinc/13/33/34/387133334.db2.gz NOWDPBYSTBBUFJ-SNVBAGLBSA-N 0 0 235.287 2.325 50 0 BEAARN COc1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000064542423 387211113 /nfs/dbraw/zinc/21/11/13/387211113.db2.gz DGWCQRIWVDKXFL-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN Fc1cccc(-c2nc(Cn3ccnc3)no2)c1 ZINC000064543404 387214367 /nfs/dbraw/zinc/21/43/67/387214367.db2.gz WYPYTMPRVQOBJW-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN Fc1ccc(-c2nc(Cn3ccnc3)no2)cc1 ZINC000064543403 387214384 /nfs/dbraw/zinc/21/43/84/387214384.db2.gz OWLVBNGUWRQJNR-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN CCc1cc(C(=O)Cc2ccon2)c(O)cc1O ZINC000000407917 322809795 /nfs/dbraw/zinc/80/97/95/322809795.db2.gz XIMHRVZBGRSZQG-UHFFFAOYSA-N 0 0 247.250 2.074 50 0 BEAARN CCc1ccc2nc(C)cc(C(N)=O)c2c1 ZINC000064553299 387219438 /nfs/dbraw/zinc/21/94/38/387219438.db2.gz QJCHBVIALCAUJL-UHFFFAOYSA-N 0 0 214.268 2.205 50 0 BEAARN Cc1nnsc1CN(C)C(=O)c1ccccc1 ZINC000064555562 387220867 /nfs/dbraw/zinc/22/08/67/387220867.db2.gz JETKIRWLRUWNBC-UHFFFAOYSA-N 0 0 247.323 2.119 50 0 BEAARN COCc1nnc(-c2ccc(F)cc2)o1 ZINC000064556867 387221247 /nfs/dbraw/zinc/22/12/47/387221247.db2.gz ABJFFECENHDFHA-UHFFFAOYSA-N 0 0 208.192 2.022 50 0 BEAARN O=C1CCC(=O)N1Cc1cccc2ccccc21 ZINC000095348847 387227290 /nfs/dbraw/zinc/22/72/90/387227290.db2.gz ONCLMQYJWAAYMK-UHFFFAOYSA-N 0 0 239.274 2.489 50 0 BEAARN Cn1cc([C@H](O)CC[NH+](C)C)c2ccccc21 ZINC000037632759 387259736 /nfs/dbraw/zinc/25/97/36/387259736.db2.gz PTUYVEZDTGPBRY-CQSZACIVSA-N 0 0 232.327 2.163 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@@H]2C2CCC2)no1 ZINC000102873531 387356444 /nfs/dbraw/zinc/35/64/44/387356444.db2.gz HZKXLFNCQIAVIA-GFCCVEGCSA-N 0 0 234.299 2.388 50 0 BEAARN COC(=O)c1cccc(NC(=O)C2CCC2)c1 ZINC000012976370 387356626 /nfs/dbraw/zinc/35/66/26/387356626.db2.gz XFYYTNFFHUWJBK-UHFFFAOYSA-N 0 0 233.267 2.212 50 0 BEAARN Cc1cc(C(=O)Nc2ccn(C)n2)c(C)s1 ZINC000012978149 387363044 /nfs/dbraw/zinc/36/30/44/387363044.db2.gz OTULHZKGIARYCQ-UHFFFAOYSA-N 0 0 235.312 2.351 50 0 BEAARN C[C@H](Cc1ccsc1)[N@H+](C)CCC(=O)[O-] ZINC000212305793 387365778 /nfs/dbraw/zinc/36/57/78/387365778.db2.gz RPJHKVFWSMTIRQ-SECBINFHSA-N 0 0 227.329 2.086 50 0 BEAARN O=Cc1nc(C(F)(F)F)n2ccccc12 ZINC000035576568 387373863 /nfs/dbraw/zinc/37/38/63/387373863.db2.gz NPDFHEMHDVZYRA-UHFFFAOYSA-N 0 0 214.146 2.166 50 0 BEAARN CSCCN(C)Cc1nc(C)c(C)o1 ZINC000089558255 387343367 /nfs/dbraw/zinc/34/33/67/387343367.db2.gz WNLUAVZSRUJGPU-UHFFFAOYSA-N 0 0 214.334 2.086 50 0 BEAARN CC(=O)c1c(F)cccc1N[C@H](C)CCO ZINC000077226350 387450103 /nfs/dbraw/zinc/45/01/03/387450103.db2.gz MPTAEAYQHLJSKQ-MRVPVSSYSA-N 0 0 225.263 2.211 50 0 BEAARN CCN(CCC(F)(F)F)C(=O)N[C@H]1C[C@H]1C ZINC000078441176 387450428 /nfs/dbraw/zinc/45/04/28/387450428.db2.gz DHDRLWQEOCDJCH-SFYZADRCSA-N 0 0 238.253 2.379 50 0 BEAARN CCN(CCC(F)(F)F)C(=O)N[C@@H]1C[C@H]1C ZINC000078441175 387451503 /nfs/dbraw/zinc/45/15/03/387451503.db2.gz DHDRLWQEOCDJCH-HTQZYQBOSA-N 0 0 238.253 2.379 50 0 BEAARN COC(=O)c1ccc(C(=O)OCC2CC2)s1 ZINC000078411263 387451850 /nfs/dbraw/zinc/45/18/50/387451850.db2.gz SPSZGQBNGXFBFQ-UHFFFAOYSA-N 0 0 240.280 2.102 50 0 BEAARN C[C@H](NC(=O)c1cnccn1)c1cccc(F)c1 ZINC000012877528 387455349 /nfs/dbraw/zinc/45/53/49/387455349.db2.gz LFGMLIRTFGFSDF-VIFPVBQESA-N 0 0 245.257 2.107 50 0 BEAARN CC(C)Nc1cc(C(F)(F)F)ncn1 ZINC000575606323 387392790 /nfs/dbraw/zinc/39/27/90/387392790.db2.gz IJYFWZVQIBBUMX-UHFFFAOYSA-N 0 0 205.183 2.316 50 0 BEAARN CCONC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000040476693 387421226 /nfs/dbraw/zinc/42/12/26/387421226.db2.gz VKSQOZWFRYXPCR-ONGXEEELSA-N 0 0 237.299 2.403 50 0 BEAARN Cc1ccc(C(=O)Nc2cn[nH]c2)s1 ZINC000035237528 387514303 /nfs/dbraw/zinc/51/43/03/387514303.db2.gz IEPNKMSWQZOHPJ-UHFFFAOYSA-N 0 0 207.258 2.032 50 0 BEAARN COC(=O)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000096491405 387465375 /nfs/dbraw/zinc/46/53/75/387465375.db2.gz XZYWTQCGIVUVCW-NSHDSACASA-N 0 0 235.327 2.115 50 0 BEAARN Cc1cc(N(C)[C@H](C)C2CC2)nc(C)n1 ZINC000032769944 387465938 /nfs/dbraw/zinc/46/59/38/387465938.db2.gz GKARLKMBOMAUNQ-SECBINFHSA-N 0 0 205.305 2.328 50 0 BEAARN CCC1(CNC(=O)CCOC)CCCC1 ZINC000096473317 387466020 /nfs/dbraw/zinc/46/60/20/387466020.db2.gz TZKFAFGRXXXVHQ-UHFFFAOYSA-N 0 0 213.321 2.110 50 0 BEAARN CC(C)(C)C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000120771382 387474290 /nfs/dbraw/zinc/47/42/90/387474290.db2.gz IWGWXTOCZGTGCU-LBPRGKRZSA-N 0 0 248.326 2.107 50 0 BEAARN CN(C)c1c(N(C)C)c(=S)c1=S ZINC000103904365 387475259 /nfs/dbraw/zinc/47/52/59/387475259.db2.gz HBKAUEVQEUTNPY-UHFFFAOYSA-N 0 0 200.332 2.153 50 0 BEAARN Cc1csc(=O)n1Cc1ccc(Cl)cn1 ZINC000135463828 387477344 /nfs/dbraw/zinc/47/73/44/387477344.db2.gz WRTMZCRWRHOQMV-UHFFFAOYSA-N 0 0 240.715 2.315 50 0 BEAARN c1nc(CN2CCO[C@H]3CCCC[C@H]32)cs1 ZINC000247944971 387484732 /nfs/dbraw/zinc/48/47/32/387484732.db2.gz HTWUORNOPDEYPO-NEPJUHHUSA-N 0 0 238.356 2.287 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2F)co1 ZINC000334477555 387491680 /nfs/dbraw/zinc/49/16/80/387491680.db2.gz PIAPDIKZOQMRTL-VHSXEESVSA-N 0 0 211.236 2.208 50 0 BEAARN CCn1nc(-c2cc(F)ccc2C)nc1N(C)C ZINC000426580630 387581123 /nfs/dbraw/zinc/58/11/23/387581123.db2.gz CPIUUAOKNKVNEZ-UHFFFAOYSA-N 0 0 248.305 2.479 50 0 BEAARN Cc1cc(C2CCC2)nc(-c2cnn(C)c2)n1 ZINC000426621832 387582088 /nfs/dbraw/zinc/58/20/88/387582088.db2.gz WFDFIROLNZSVEU-UHFFFAOYSA-N 0 0 228.299 2.453 50 0 BEAARN COCc1nnc(-c2ccc(F)c(Cl)c2)[nH]1 ZINC000426599799 387583071 /nfs/dbraw/zinc/58/30/71/387583071.db2.gz VBECAXKGFUHKMN-UHFFFAOYSA-N 0 0 241.653 2.411 50 0 BEAARN CCn1nc(C)nc1-c1cccc(OC)c1F ZINC000426370751 387561323 /nfs/dbraw/zinc/56/13/23/387561323.db2.gz OHCHHYODKPFAHO-UHFFFAOYSA-N 0 0 235.262 2.421 50 0 BEAARN CCc1cc(-c2ccc(N(C)C)nc2)nc(C)n1 ZINC000426395931 387563979 /nfs/dbraw/zinc/56/39/79/387563979.db2.gz JCCGHCXDHDWKMU-UHFFFAOYSA-N 0 0 242.326 2.475 50 0 BEAARN CC(C)Cc1ccc([C@H](C)C(=O)NCCO)cc1 ZINC000001999469 387568724 /nfs/dbraw/zinc/56/87/24/387568724.db2.gz JVGUNCHERKJFCM-LBPRGKRZSA-N 0 0 249.354 2.097 50 0 in-man BEAARN COc1cc(F)ccc1CNC(=O)[C@H]1CC12CC2 ZINC000426477941 387574424 /nfs/dbraw/zinc/57/44/24/387574424.db2.gz CTXHZJBKUNNZNI-LLVKDONJSA-N 0 0 249.285 2.251 50 0 BEAARN c1nn([C@@H]2CCCCO2)cc1-c1cncnc1 ZINC000426479066 387575257 /nfs/dbraw/zinc/57/52/57/387575257.db2.gz WODIMDHMWPQEKM-LBPRGKRZSA-N 0 0 230.271 2.039 50 0 BEAARN O=C(Nc1ncccn1)C1(c2ccccc2)CC1 ZINC000040023499 387577418 /nfs/dbraw/zinc/57/74/18/387577418.db2.gz IBPHYTFFOLSCSZ-UHFFFAOYSA-N 0 0 239.278 2.147 50 0 BEAARN CO[C@H](C)c1cccc(-c2cncc(=O)[nH]2)c1 ZINC000426525771 387578030 /nfs/dbraw/zinc/57/80/30/387578030.db2.gz AQBLSRRYIIVFIH-SECBINFHSA-N 0 0 230.267 2.144 50 0 BEAARN COCc1nnc(-c2ccc([C@H](C)OC)cc2)[nH]1 ZINC000426518411 387578468 /nfs/dbraw/zinc/57/84/68/387578468.db2.gz WBYZPFRAHBSLDO-VIFPVBQESA-N 0 0 247.298 2.326 50 0 BEAARN Cc1cc(C)cc(-n2ncnc2[C@@H]2CCOC2)c1 ZINC000091563409 177890762 /nfs/dbraw/zinc/89/07/62/177890762.db2.gz CDHDYZPXXPJKJE-GFCCVEGCSA-N 0 0 243.310 2.388 50 0 BEAARN C[C@]1(C(=O)NCC2CCC2)CC1(Cl)Cl ZINC000036391355 387779356 /nfs/dbraw/zinc/77/93/56/387779356.db2.gz WKCAYBFXMQZNHU-SECBINFHSA-N 0 0 236.142 2.487 50 0 BEAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000006730714 387810772 /nfs/dbraw/zinc/81/07/72/387810772.db2.gz HLXFNTVBNKCAEP-BXKDBHETSA-N 0 0 237.274 2.123 50 0 BEAARN C[C@@H](c1ccccc1)N1C(=S)N=NC1C ZINC000006790229 387898399 /nfs/dbraw/zinc/89/83/99/387898399.db2.gz WTSJXTGWVNJOHK-QMMMGPOBSA-N 0 0 219.313 2.485 50 0 BEAARN CCCn1cc(CCNC(C)=O)c2cccnc21 ZINC000065163911 387877255 /nfs/dbraw/zinc/87/72/55/387877255.db2.gz VKTDGXCGRMXFFF-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN Cc1cc(N2CCC[C@@H]2c2cn[nH]c2)nc(C)n1 ZINC000521398499 387924434 /nfs/dbraw/zinc/92/44/34/387924434.db2.gz KLBUIPQQBYCPFO-GFCCVEGCSA-N 0 0 243.314 2.158 50 0 BEAARN COc1ccc([C@H]2CC(C)=Nc3nncn32)cc1 ZINC000102435565 387927235 /nfs/dbraw/zinc/92/72/35/387927235.db2.gz IUQIPGUGGFPSAQ-GFCCVEGCSA-N 0 0 242.282 2.205 50 0 BEAARN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CO ZINC000040556056 177829364 /nfs/dbraw/zinc/82/93/64/177829364.db2.gz ZEAJEQJYNLTHNX-LBPRGKRZSA-N 0 0 238.327 2.025 50 0 BEAARN Cc1cc(C(=O)Nc2ccon2)c(C)o1 ZINC000001054304 177817885 /nfs/dbraw/zinc/81/78/85/177817885.db2.gz CTEREOIIQXEBSO-UHFFFAOYSA-N 0 0 206.201 2.137 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2)on1 ZINC000006738074 177810209 /nfs/dbraw/zinc/81/02/09/177810209.db2.gz DOSQCCRQFRIHGZ-SNVBAGLBSA-N 0 0 230.267 2.474 50 0 BEAARN Cc1n[nH]cc1CN[C@H](C)c1ccco1 ZINC000036901756 388006977 /nfs/dbraw/zinc/00/69/77/388006977.db2.gz SAUSLNOXKQUZJE-SECBINFHSA-N 0 0 205.261 2.162 50 0 BEAARN Cc1nsc(NCc2ccccc2)n1 ZINC000083647864 388056024 /nfs/dbraw/zinc/05/60/24/388056024.db2.gz GUKKZBSIJNNSAI-UHFFFAOYSA-N 0 0 205.286 2.459 50 0 BEAARN O=C(CCc1cccs1)N1CCSCC1 ZINC000065517087 388075701 /nfs/dbraw/zinc/07/57/01/388075701.db2.gz VUIPBMITZPMKSO-UHFFFAOYSA-N 0 0 241.381 2.256 50 0 BEAARN COc1c(N)cc(Br)cc1F ZINC000085224933 388085484 /nfs/dbraw/zinc/08/54/84/388085484.db2.gz IRAJTRFSBJFFGT-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)on1 ZINC000006738063 177771300 /nfs/dbraw/zinc/77/13/00/177771300.db2.gz WUGVUIJRGDHEEW-UWVGGRQHSA-N 0 0 222.288 2.386 50 0 BEAARN c1cnn(C2CN(c3nc4ccccc4o3)C2)c1 ZINC000071859655 388120978 /nfs/dbraw/zinc/12/09/78/388120978.db2.gz XPQXJRXJUASLSQ-UHFFFAOYSA-N 0 0 240.266 2.086 50 0 BEAARN CCOc1cc(C(=O)Nc2ccccc2)ncn1 ZINC000240122719 388234989 /nfs/dbraw/zinc/23/49/89/388234989.db2.gz WIFPZYGXRVXORY-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN Cc1cncnc1-c1noc(-c2ccco2)n1 ZINC000170595443 388239865 /nfs/dbraw/zinc/23/98/65/388239865.db2.gz ZJYBBUVSCWDONS-UHFFFAOYSA-N 0 0 228.211 2.095 50 0 BEAARN COc1cc(-c2noc(C(C)(C)OC)n2)ccn1 ZINC000170608367 388246389 /nfs/dbraw/zinc/24/63/89/388246389.db2.gz DKLIAXGSGZGOQM-UHFFFAOYSA-N 0 0 249.270 2.022 50 0 BEAARN CO[C@H](C)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000056035454 388345975 /nfs/dbraw/zinc/34/59/75/388345975.db2.gz VANPDXBSBXOEAL-ZYHUDNBSSA-N 0 0 225.332 2.203 50 0 BEAARN CO[C@H](C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000056035456 388346428 /nfs/dbraw/zinc/34/64/28/388346428.db2.gz VANPDXBSBXOEAL-PWSUYJOCSA-N 0 0 225.332 2.203 50 0 BEAARN Cc1cc(C(=O)Nc2ccn(C)n2)sc1C ZINC000002730105 388348077 /nfs/dbraw/zinc/34/80/77/388348077.db2.gz URAOSNKQPHJEHA-UHFFFAOYSA-N 0 0 235.312 2.351 50 0 BEAARN CCc1ccc(NC(=O)Cn2ccnc2)cc1 ZINC000029594117 388358791 /nfs/dbraw/zinc/35/87/91/388358791.db2.gz ZKLRGCIWGTUHOG-UHFFFAOYSA-N 0 0 229.283 2.084 50 0 BEAARN CC(C)(C)OC(=O)NC[C@@](C)(O)c1ccco1 ZINC000089662504 388359245 /nfs/dbraw/zinc/35/92/45/388359245.db2.gz GDFJWEGKOQASAY-GFCCVEGCSA-N 0 0 241.287 2.012 50 0 BEAARN CC(C)CCNC(=O)[C@H]1Cc2ccccc2O1 ZINC000057568159 388363536 /nfs/dbraw/zinc/36/35/36/388363536.db2.gz PIOWEZVTJPIFNW-CYBMUJFWSA-N 0 0 233.311 2.152 50 0 BEAARN Cc1cc(N=NC(C)c2ccc[nH]2)nc(C)n1 ZINC000254796658 388365846 /nfs/dbraw/zinc/36/58/46/388365846.db2.gz CWQFICLARQKKTD-UHFFFAOYSA-N 0 0 229.287 2.258 50 0 BEAARN O=c1c(-c2ccccc2)cncn1CCCF ZINC000252491915 388365992 /nfs/dbraw/zinc/36/59/92/388365992.db2.gz LZLIATXBRIJALP-UHFFFAOYSA-N 0 0 232.258 2.270 50 0 BEAARN O=C(Oc1ccc2nccnc2c1)c1ccco1 ZINC000089863589 388368805 /nfs/dbraw/zinc/36/88/05/388368805.db2.gz CYAJJYCOXFUQPI-UHFFFAOYSA-N 0 0 240.218 2.442 50 0 BEAARN CCCCN1CC(=O)N=C1Nc1ccccc1 ZINC000057919408 388369505 /nfs/dbraw/zinc/36/95/05/388369505.db2.gz AOJCVVIAQPLWDV-UHFFFAOYSA-N 0 0 231.299 2.097 50 0 BEAARN COC[C@@H](C)NC(=S)Nc1ccc(F)cc1 ZINC000003274174 388371000 /nfs/dbraw/zinc/37/10/00/388371000.db2.gz PLGIOLNDDGAAQN-MRVPVSSYSA-N 0 0 242.319 2.147 50 0 BEAARN CCCCNS(=O)(=O)c1cc(C)ccc1C ZINC000003298525 388372263 /nfs/dbraw/zinc/37/22/63/388372263.db2.gz CMIAOAXZRZQHPG-UHFFFAOYSA-N 0 0 241.356 2.382 50 0 BEAARN CC(C)[C@H]1CN(Cc2ccon2)CCS1 ZINC000076065528 388372405 /nfs/dbraw/zinc/37/24/05/388372405.db2.gz PQJSRHZAGSDEGP-LLVKDONJSA-N 0 0 226.345 2.248 50 0 BEAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccon2)cc1 ZINC000016973167 388375123 /nfs/dbraw/zinc/37/51/23/388375123.db2.gz GNLROFZFUYMNRI-SNVBAGLBSA-N 0 0 246.266 2.389 50 0 BEAARN Cn1c2ccccc2sc1=NC(=O)C1CC1 ZINC000254841119 388376838 /nfs/dbraw/zinc/37/68/38/388376838.db2.gz LYJBOKGLOOWCBN-UHFFFAOYSA-N 0 0 232.308 2.077 50 0 BEAARN Cc1ccc(S[C@H](C)C(N)=O)c(C)c1 ZINC000003499425 388380899 /nfs/dbraw/zinc/38/08/99/388380899.db2.gz CGILTBOHERTUNB-SECBINFHSA-N 0 0 209.314 2.269 50 0 BEAARN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc[nH]1 ZINC000067333816 388406177 /nfs/dbraw/zinc/40/61/77/388406177.db2.gz LANFVERRUQCIJX-WCQYABFASA-N 0 0 244.269 2.440 50 0 BEAARN O=C(Nc1ncccc1O)c1ccc(F)cc1 ZINC000032148226 388392231 /nfs/dbraw/zinc/39/22/31/388392231.db2.gz JNLNWEFWRHWIKO-UHFFFAOYSA-N 0 0 232.214 2.179 50 0 BEAARN CSc1ncccc1C(=O)NCC(C)C ZINC000007990185 388399606 /nfs/dbraw/zinc/39/96/06/388399606.db2.gz VLYDPDOQGGMLKE-UHFFFAOYSA-N 0 0 224.329 2.189 50 0 BEAARN CSC[C@H](C)C(=O)Nc1cccnc1 ZINC000066757783 388403796 /nfs/dbraw/zinc/40/37/96/388403796.db2.gz BFHOQOBOPWYHHB-QMMMGPOBSA-N 0 0 210.302 2.019 50 0 BEAARN Cc1[nH]c2ccccc2c1C(=O)N1CCC1 ZINC000071034607 388442483 /nfs/dbraw/zinc/44/24/83/388442483.db2.gz FMUSXAGEHQMMRB-UHFFFAOYSA-N 0 0 214.268 2.322 50 0 BEAARN Cc1ccc(F)cc1C(=O)N1CCSC1 ZINC000071847164 388446335 /nfs/dbraw/zinc/44/63/35/388446335.db2.gz ZTBUJDOMTLMPNH-UHFFFAOYSA-N 0 0 225.288 2.281 50 0 BEAARN CC(=O)NCCC(=O)Nc1c(C)cc(C)cc1C ZINC000007777360 388464166 /nfs/dbraw/zinc/46/41/66/388464166.db2.gz PHWJPKOMLRGRKK-UHFFFAOYSA-N 0 0 248.326 2.077 50 0 BEAARN CN(Cc1ccc[nH]1)Cc1cccnc1 ZINC000170650593 388472669 /nfs/dbraw/zinc/47/26/69/388472669.db2.gz VTSHKAOTMWTOGD-UHFFFAOYSA-N 0 0 201.273 2.042 50 0 BEAARN Cc1ccn2cc(C(=O)NCC(C)C)nc2c1 ZINC000040007597 388411816 /nfs/dbraw/zinc/41/18/16/388411816.db2.gz ILPTUMKCDBAKNF-UHFFFAOYSA-N 0 0 231.299 2.029 50 0 BEAARN Cc1cc(CN2CCO[C@@H]3CCCC[C@H]32)on1 ZINC000245266993 388414951 /nfs/dbraw/zinc/41/49/51/388414951.db2.gz LARYEZURLACHHL-CHWSQXEVSA-N 0 0 236.315 2.126 50 0 BEAARN O=C([C@@H]1CCOC1)N1CCCCc2ccccc21 ZINC000069353538 388415010 /nfs/dbraw/zinc/41/50/10/388415010.db2.gz CWONVLMPDCNPJY-CYBMUJFWSA-N 0 0 245.322 2.392 50 0 BEAARN Fc1cccc(CN2CC(n3cccn3)C2)c1F ZINC000069417250 388415754 /nfs/dbraw/zinc/41/57/54/388415754.db2.gz MPBJGXLKHKIXGS-UHFFFAOYSA-N 0 0 249.264 2.218 50 0 BEAARN O=C(NCCCOC1CCCCC1)C1CC1 ZINC000040465488 388416819 /nfs/dbraw/zinc/41/68/19/388416819.db2.gz UATQOYPSXYRGDC-UHFFFAOYSA-N 0 0 225.332 2.252 50 0 BEAARN O=C1OCCN1CCOc1ccccc1Cl ZINC000069440651 388416980 /nfs/dbraw/zinc/41/69/80/388416980.db2.gz BHJCOLHQXUYHIT-UHFFFAOYSA-N 0 0 241.674 2.171 50 0 BEAARN CC(C)OCCCNC(=O)[C@@H]1CC=CCC1 ZINC000040473374 388417513 /nfs/dbraw/zinc/41/75/13/388417513.db2.gz UHCPPPNWMJNRIS-GFCCVEGCSA-N 0 0 225.332 2.274 50 0 BEAARN c1cncc(COc2cccc3c2OCCO3)c1 ZINC000193712959 388417573 /nfs/dbraw/zinc/41/75/73/388417573.db2.gz JPJACDVCMNKDKO-UHFFFAOYSA-N 0 0 243.262 2.432 50 0 BEAARN O=C(CC[C@@H]1CCCO1)Nc1nccs1 ZINC000040505865 388419057 /nfs/dbraw/zinc/41/90/57/388419057.db2.gz JHPXWMYHOCNKSJ-QMMMGPOBSA-N 0 0 226.301 2.041 50 0 BEAARN CCCc1cc(NC(=O)c2cccnc2)n[nH]1 ZINC000109910666 388587330 /nfs/dbraw/zinc/58/73/30/388587330.db2.gz XHBCMKZQQBUGPJ-UHFFFAOYSA-N 0 0 230.271 2.010 50 0 BEAARN CN(Cc1cscn1)c1ccc(F)cn1 ZINC000253415514 388592248 /nfs/dbraw/zinc/59/22/48/388592248.db2.gz OJJZXEKSBVBXCH-UHFFFAOYSA-N 0 0 223.276 2.314 50 0 BEAARN CC(C)C[C@H](C)OC(=O)N1CCC[C@@H](O)C1 ZINC000253419744 388592321 /nfs/dbraw/zinc/59/23/21/388592321.db2.gz RPMRXLZLDVFDMD-WDEREUQCSA-N 0 0 229.320 2.014 50 0 BEAARN Cc1ccc(F)c(NC(=O)NCc2cn[nH]c2)c1 ZINC000253430163 388592758 /nfs/dbraw/zinc/59/27/58/388592758.db2.gz JVSYWQIOKHDKOX-UHFFFAOYSA-N 0 0 248.261 2.179 50 0 BEAARN O=c1ccc(F)cn1CCc1ccccc1 ZINC000225559398 388594513 /nfs/dbraw/zinc/59/45/13/388594513.db2.gz QQBZTQIGIJRARF-UHFFFAOYSA-N 0 0 217.243 2.230 50 0 BEAARN Brc1cccnc1-c1cn[nH]c1 ZINC000237964885 388595820 /nfs/dbraw/zinc/59/58/20/388595820.db2.gz WIKMDNSRMJUBST-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN O=C(O[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000107016092 388599171 /nfs/dbraw/zinc/59/91/71/388599171.db2.gz WTJVLJQONRHMKQ-JTQLQIEISA-N 0 0 232.235 2.379 50 0 BEAARN CCc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000001480353 388611821 /nfs/dbraw/zinc/61/18/21/388611821.db2.gz PQOQDDZZSPWZQT-LBPRGKRZSA-N 0 0 219.284 2.367 50 0 BEAARN Cc1nsc(N2CCS[C@@H](C)[C@H]2C)n1 ZINC000301388984 388579650 /nfs/dbraw/zinc/57/96/50/388579650.db2.gz FHJNIVHTYXBYPP-RQJHMYQMSA-N 0 0 229.374 2.177 50 0 BEAARN CC(=O)c1cnc2ccc(C)cc2c1O ZINC000008762824 388579808 /nfs/dbraw/zinc/57/98/08/388579808.db2.gz HEUUNOJLQNBBHX-UHFFFAOYSA-N 0 0 201.225 2.039 50 0 BEAARN Nc1cccnc1C(=O)c1ccc(F)cc1 ZINC000123178648 388683810 /nfs/dbraw/zinc/68/38/10/388683810.db2.gz QGPIDUKPJKDKKF-UHFFFAOYSA-N 0 0 216.215 2.034 50 0 BEAARN Fc1c[nH]c2ncc(Br)cc12 ZINC000095910899 388683872 /nfs/dbraw/zinc/68/38/72/388683872.db2.gz FEEYLWOKLCNDQR-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN O=C1Nc2cc(C(F)(F)F)cc(Cl)c2C1=O ZINC000091366084 388628020 /nfs/dbraw/zinc/62/80/20/388628020.db2.gz YADKGWVLINRNEB-UHFFFAOYSA-N 0 0 249.575 2.494 50 0 BEAARN CC[C@@H](C)[C@@](C)(O)CNc1ccccn1 ZINC000079002728 388742823 /nfs/dbraw/zinc/74/28/23/388742823.db2.gz OBFAPYFPDNKHGS-PWSUYJOCSA-N 0 0 208.305 2.291 50 0 BEAARN COC[C@@H]1CN(Cc2ccc(C)c(C)c2)CCO1 ZINC000093529131 388743881 /nfs/dbraw/zinc/74/38/81/388743881.db2.gz OMFGVYILYPJMIZ-HNNXBMFYSA-N 0 0 249.354 2.151 50 0 BEAARN CCOC[C@@H](O)CN1CCCc2ccc(C)cc21 ZINC000079099938 388745937 /nfs/dbraw/zinc/74/59/37/388745937.db2.gz LYEQANBFWFMJKX-AWEZNQCLSA-N 0 0 249.354 2.145 50 0 BEAARN CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000069271697 388698124 /nfs/dbraw/zinc/69/81/24/388698124.db2.gz BRZIDNQMHUVUAM-OLZOCXBDSA-N 0 0 233.311 2.229 50 0 BEAARN Cc1nnccc1NC(=O)NCC1(C)CCCC1 ZINC000095942289 388792339 /nfs/dbraw/zinc/79/23/39/388792339.db2.gz BQOMPXHCCGMYAJ-UHFFFAOYSA-N 0 0 248.330 2.487 50 0 BEAARN CONC(=O)Nc1cc(-n2cccc2)ccc1F ZINC000095959536 388793948 /nfs/dbraw/zinc/79/39/48/388793948.db2.gz UPMPKAKFHFWBDG-UHFFFAOYSA-N 0 0 249.245 2.299 50 0 BEAARN Cc1nccc(C(=O)N(C)[C@H](C)CC(C)C)n1 ZINC000095953125 388793967 /nfs/dbraw/zinc/79/39/67/388793967.db2.gz BGTOAWIMOTYRRK-SNVBAGLBSA-N 0 0 235.331 2.292 50 0 BEAARN CN(C)c1nccc(N(C)C2CCCCC2)n1 ZINC000095960923 388795529 /nfs/dbraw/zinc/79/55/29/388795529.db2.gz NHYGINQQLWUFNW-UHFFFAOYSA-N 0 0 234.347 2.312 50 0 BEAARN CC(O)(Cc1ccccn1)Cc1ccccn1 ZINC000000399989 388813597 /nfs/dbraw/zinc/81/35/97/388813597.db2.gz BTZQLBQIVQACKT-UHFFFAOYSA-N 0 0 228.295 2.013 50 0 BEAARN O=C(CNC(=O)C1CC=CC1)c1cccs1 ZINC000095977264 388798174 /nfs/dbraw/zinc/79/81/74/388798174.db2.gz IHJZXTCUMAPUTP-UHFFFAOYSA-N 0 0 235.308 2.013 50 0 BEAARN C[C@H]1CC(C)(C)c2ccccc2N1CC(N)=O ZINC000096002347 388802307 /nfs/dbraw/zinc/80/23/07/388802307.db2.gz IIMMDKRWBBNXCS-JTQLQIEISA-N 0 0 232.327 2.048 50 0 BEAARN COC[C@H](C)C(=O)Nc1ccnc(C)c1Cl ZINC000096008240 388803203 /nfs/dbraw/zinc/80/32/03/388803203.db2.gz FELCXKJXWAUJGB-ZETCQYMHSA-N 0 0 242.706 2.264 50 0 BEAARN CO[C@H](CNC(=O)C1CCC1)c1ccsc1 ZINC000096097362 388806829 /nfs/dbraw/zinc/80/68/29/388806829.db2.gz RFYVDFGFIZWIPD-LLVKDONJSA-N 0 0 239.340 2.352 50 0 BEAARN O=C1CO[C@@H](c2cc(Cl)cc(Cl)c2)CN1 ZINC000096096226 388807702 /nfs/dbraw/zinc/80/77/02/388807702.db2.gz CPHQGJPWIFPPTQ-SECBINFHSA-N 0 0 246.093 2.181 50 0 BEAARN CO[C@H](CNC(=O)C1CC1)c1ccccc1C ZINC000096104898 388808209 /nfs/dbraw/zinc/80/82/09/388808209.db2.gz ZEAMAQXMGFBWEM-CYBMUJFWSA-N 0 0 233.311 2.209 50 0 BEAARN C(SC1CCOCC1)C1CCOCC1 ZINC000170692500 388814172 /nfs/dbraw/zinc/81/41/72/388814172.db2.gz BLHJDDCATILGCZ-UHFFFAOYSA-N 0 0 216.346 2.325 50 0 BEAARN CO[C@@H](CNC(=O)C1CC1)c1ccc(C)s1 ZINC000096104633 388809365 /nfs/dbraw/zinc/80/93/65/388809365.db2.gz VATXPNOKIIDBGD-JTQLQIEISA-N 0 0 239.340 2.270 50 0 BEAARN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC ZINC000096125665 388811356 /nfs/dbraw/zinc/81/13/56/388811356.db2.gz DXTBLEGYEIFCHI-AWEZNQCLSA-N 0 0 247.338 2.469 50 0 BEAARN CCC[C@@H]1C[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000095404372 388765205 /nfs/dbraw/zinc/76/52/05/388765205.db2.gz YKRUPRJIPZPYDD-RQJHMYQMSA-N 0 0 227.695 2.024 50 0 BEAARN Cc1nc(C)c(-c2nc(-c3cccnc3)no2)o1 ZINC000095468591 388773856 /nfs/dbraw/zinc/77/38/56/388773856.db2.gz RYWJRVBXNWHDTQ-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN CCCC(=O)O[C@@H](C)Cc1cccnc1 ZINC000095463456 388773944 /nfs/dbraw/zinc/77/39/44/388773944.db2.gz HFGXTMRSKCIVPY-JTQLQIEISA-N 0 0 207.273 2.356 50 0 BEAARN Cc1cc(-c2nn3c(nnc3C(C)C)s2)on1 ZINC000095473161 388774560 /nfs/dbraw/zinc/77/45/60/388774560.db2.gz URLUKAIAKSGEES-UHFFFAOYSA-N 0 0 249.299 2.273 50 0 BEAARN CC[C@H](C)n1[nH]cc2nc(-c3cnn(C)c3)nc1-2 ZINC000020534217 388775022 /nfs/dbraw/zinc/77/50/22/388775022.db2.gz CSUKIKGTEXPFQS-QMMMGPOBSA-N 0 0 244.302 2.131 50 0 BEAARN CC/C=C(\C)C(=O)NCc1cccnc1N(C)C ZINC000096307047 388814960 /nfs/dbraw/zinc/81/49/60/388814960.db2.gz TXGCWCZTJYZOCI-YRNVUSSQSA-N 0 0 247.342 2.120 50 0 BEAARN CCCCNC(=O)N(C)[C@H](C)CSC ZINC000096413450 388818658 /nfs/dbraw/zinc/81/86/58/388818658.db2.gz OTIAHAMGIMNAJG-SECBINFHSA-N 0 0 218.366 2.179 50 0 BEAARN O=C(c1nccc2ccccc21)N1CC(CF)C1 ZINC000335211052 388827954 /nfs/dbraw/zinc/82/79/54/388827954.db2.gz LPYPYAUCYRUCLF-UHFFFAOYSA-N 0 0 244.269 2.276 50 0 BEAARN Fc1ccc(F)c(CSc2c[nH]nn2)c1 ZINC000097014305 388829394 /nfs/dbraw/zinc/82/93/94/388829394.db2.gz RZWDCJBNNLEDPF-UHFFFAOYSA-N 0 0 227.239 2.375 50 0 BEAARN Cc1nccc(N2CCOC[C@H]2CC(C)C)n1 ZINC000097013885 388829565 /nfs/dbraw/zinc/82/95/65/388829565.db2.gz VGARPFLLQPVVIH-GFCCVEGCSA-N 0 0 235.331 2.036 50 0 BEAARN CC(C)(C)c1nccc(N[C@@H]2C=C[C@H](CO)C2)n1 ZINC000097011957 388829607 /nfs/dbraw/zinc/82/96/07/388829607.db2.gz RWCFUVFOVYKDJF-WDEREUQCSA-N 0 0 247.342 2.123 50 0 BEAARN Cc1ccc(NC2CCC2)cc1S(C)(=O)=O ZINC000097084899 388832683 /nfs/dbraw/zinc/83/26/83/388832683.db2.gz BAGXRSNSQWBUKY-UHFFFAOYSA-N 0 0 239.340 2.363 50 0 BEAARN CC(C)[C@@H](CO)NCc1ncc(C(C)(C)C)o1 ZINC000097238085 388835755 /nfs/dbraw/zinc/83/57/55/388835755.db2.gz UORLGUDZCIACHV-SNVBAGLBSA-N 0 0 240.347 2.079 50 0 BEAARN c1coc(-c2nnc(NCc3cccnc3)o2)c1 ZINC000097230095 388835837 /nfs/dbraw/zinc/83/58/37/388835837.db2.gz PRQFVSFKRDNNML-UHFFFAOYSA-N 0 0 242.238 2.337 50 0 BEAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)C1CC1 ZINC000225596062 388836805 /nfs/dbraw/zinc/83/68/05/388836805.db2.gz QEMQQXOYDANOBH-JTQLQIEISA-N 0 0 245.322 2.079 50 0 BEAARN CCOCCOc1cccc(O)c1C(C)=O ZINC000002144825 388862434 /nfs/dbraw/zinc/86/24/34/388862434.db2.gz UQXOTLVZBQYIMX-UHFFFAOYSA-N 0 0 224.256 2.010 50 0 BEAARN C[C@H](F)CCNC(=O)N1CCC(C)(C)C1 ZINC000335577705 136111572 /nfs/dbraw/zinc/11/15/72/136111572.db2.gz PSHDMFGDGBEJRI-VIFPVBQESA-N 0 0 216.300 2.176 50 0 BEAARN Cc1cc(C)nc(N2C[C@H](C)OC(C)(C)C2)n1 ZINC000049177162 132355875 /nfs/dbraw/zinc/35/58/75/132355875.db2.gz AEGJGYAQPZFQSB-NSHDSACASA-N 0 0 235.331 2.097 50 0 BEAARN FC(F)(F)C1=CCN(c2cnccn2)CC1 ZINC000270109417 132195759 /nfs/dbraw/zinc/19/57/59/132195759.db2.gz DIFIXSYDFMJAOB-UHFFFAOYSA-N 0 0 229.205 2.175 50 0 BEAARN CC[C@@H]1CCCCN1c1cc(Cl)nc(N)n1 ZINC000045023498 132297979 /nfs/dbraw/zinc/29/79/79/132297979.db2.gz TUJDXKYFRBKGAU-MRVPVSSYSA-N 0 0 240.738 2.481 50 0 BEAARN c1cc2c(ncnc2N2CCSCC2)s1 ZINC000000115874 132312515 /nfs/dbraw/zinc/31/25/15/132312515.db2.gz PHOQZCVNCNXLLX-UHFFFAOYSA-N 0 0 237.353 2.245 50 0 BEAARN CN1c2ccccc2C(=O)C(Cl)(Cl)C1=O ZINC000000135360 132312939 /nfs/dbraw/zinc/31/29/39/132312939.db2.gz CWHVPZVGWJBXIF-UHFFFAOYSA-N 0 0 244.077 2.020 50 0 BEAARN c1ccc2nc3c(nc2c1)OC[C@@H]1CCCCN31 ZINC000001390765 132313950 /nfs/dbraw/zinc/31/39/50/132313950.db2.gz JVXSCCVPBJZLFY-JTQLQIEISA-N 0 0 241.294 2.381 50 0 BEAARN Cc1ccc([C@H]2NC(=O)c3ccccc3N2C)o1 ZINC000008710428 132319243 /nfs/dbraw/zinc/31/92/43/132319243.db2.gz QUNLJEPDJILOGT-ZDUSSCGKSA-N 0 0 242.278 2.466 50 0 BEAARN CC(C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000015912171 132322904 /nfs/dbraw/zinc/32/29/04/132322904.db2.gz VFEJRPCEEANZGL-UHFFFAOYSA-N 0 0 232.283 2.018 50 0 BEAARN CCN1CNC(=S)N(c2ccc(C)cc2C)C1 ZINC000019922895 132328847 /nfs/dbraw/zinc/32/88/47/132328847.db2.gz FJJUDCRMUHPGJD-UHFFFAOYSA-N 0 0 249.383 2.235 50 0 BEAARN CCC(=O)c1c(C)cc(C)nc1N1CCOCC1 ZINC000019911617 132328902 /nfs/dbraw/zinc/32/89/02/132328902.db2.gz OLWKMFCFJXRCLI-UHFFFAOYSA-N 0 0 248.326 2.128 50 0 BEAARN C[C@@H]1CN(c2ccccc2C=O)C[C@H](C)O1 ZINC000020078943 132329592 /nfs/dbraw/zinc/32/95/92/132329592.db2.gz JSCXWWYPBOWKLA-PHIMTYICSA-N 0 0 219.284 2.113 50 0 BEAARN C[C@@H]1CN(c2ccc(N)cc2F)C[C@@H](C)O1 ZINC000026515015 132333458 /nfs/dbraw/zinc/33/34/58/132333458.db2.gz FOXDRQYNTAHYRU-RKDXNWHRSA-N 0 0 224.279 2.022 50 0 BEAARN c1cc2cc(N3CCOCC3)ccc2[nH]1 ZINC000026894295 132333713 /nfs/dbraw/zinc/33/37/13/132333713.db2.gz RGNJKFHZEOSSBO-UHFFFAOYSA-N 0 0 202.257 2.005 50 0 BEAARN CC(C)C[C@@]1(CO)CCCN(c2ncccn2)C1 ZINC000032498355 132335193 /nfs/dbraw/zinc/33/51/93/132335193.db2.gz RLUVUWAHUZCFCE-AWEZNQCLSA-N 0 0 249.358 2.102 50 0 BEAARN OC1CCN(c2ccc3ccccc3n2)CC1 ZINC000040412063 132347341 /nfs/dbraw/zinc/34/73/41/132347341.db2.gz ZFZDBEHRXKCLNH-UHFFFAOYSA-N 0 0 228.295 2.196 50 0 BEAARN C[C@@H]1CN(c2ncnc3ccccc32)C[C@@H](C)O1 ZINC000041476133 132350262 /nfs/dbraw/zinc/35/02/62/132350262.db2.gz NONTWCXZCNNCBF-GHMZBOCLSA-N 0 0 243.310 2.243 50 0 BEAARN C[C@@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000042783553 132352545 /nfs/dbraw/zinc/35/25/45/132352545.db2.gz HUHYVRHJMZWXIQ-MRVPVSSYSA-N 0 0 211.696 2.366 50 0 BEAARN c1ccc2nc(N3CCSCC3)cnc2c1 ZINC000048562044 132355527 /nfs/dbraw/zinc/35/55/27/132355527.db2.gz CRITVOAHLVZVRB-UHFFFAOYSA-N 0 0 231.324 2.183 50 0 BEAARN CC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000048803295 132355567 /nfs/dbraw/zinc/35/55/67/132355567.db2.gz FAKUXPQIHHCBCO-PHIMTYICSA-N 0 0 248.326 2.259 50 0 BEAARN CN1c2ccc(Br)cc2CCC1=O ZINC000049830014 132358459 /nfs/dbraw/zinc/35/84/59/132358459.db2.gz NJZZUBLIVYKUJM-UHFFFAOYSA-N 0 0 240.100 2.358 50 0 in-vitro BEAARN c1nncn1CCCN1CCCc2ccccc21 ZINC000065454249 132389199 /nfs/dbraw/zinc/38/91/99/132389199.db2.gz TYMSTCXQUFKBDK-UHFFFAOYSA-N 0 0 242.326 2.121 50 0 BEAARN O=C(c1ccncc1)N1CCCc2ncccc21 ZINC000065609889 132390090 /nfs/dbraw/zinc/39/00/90/132390090.db2.gz NGCPKOKZQSMGKT-UHFFFAOYSA-N 0 0 239.278 2.070 50 0 BEAARN COC(=O)c1cc(C=O)ccc1N1CCCCC1 ZINC000071788939 132395164 /nfs/dbraw/zinc/39/51/64/132395164.db2.gz GDYZHUQIHFBIKV-UHFFFAOYSA-N 0 0 247.294 2.276 50 0 BEAARN COCCC(=O)N1c2ccccc2CC[C@H]1C ZINC000071915217 132395203 /nfs/dbraw/zinc/39/52/03/132395203.db2.gz WFQRVTANQLTVJV-LLVKDONJSA-N 0 0 233.311 2.391 50 0 BEAARN c1cn(C2CCN(c3ccccn3)CC2)cn1 ZINC000071899531 132395804 /nfs/dbraw/zinc/39/58/04/132395804.db2.gz KINASOCGIKTNRU-UHFFFAOYSA-N 0 0 228.299 2.120 50 0 BEAARN Cc1cccc2ncnc(N3CCO[C@H](C)C3)c12 ZINC000072307795 132396147 /nfs/dbraw/zinc/39/61/47/132396147.db2.gz ZEGRFYBXQGLVCU-LLVKDONJSA-N 0 0 243.310 2.163 50 0 BEAARN Cc1cc(CN2CCOc3ccccc32)no1 ZINC000073614762 132398041 /nfs/dbraw/zinc/39/80/41/132398041.db2.gz HPRARMQSBHEKKY-UHFFFAOYSA-N 0 0 230.267 2.382 50 0 BEAARN CO[C@@H]1CCCN(c2ccc(NC(C)=O)cc2)C1 ZINC000096122411 132430253 /nfs/dbraw/zinc/43/02/53/132430253.db2.gz VGRLXWPTWJZDSX-CQSZACIVSA-N 0 0 248.326 2.260 50 0 BEAARN C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCOC1 ZINC000098012597 132433065 /nfs/dbraw/zinc/43/30/65/132433065.db2.gz MKOCFTQHXXTDQT-DGCLKSJQSA-N 0 0 245.322 2.391 50 0 BEAARN O=C(Cc1cccc(F)c1)N[C@H]1CC12CC2 ZINC000335118671 133783030 /nfs/dbraw/zinc/78/30/30/133783030.db2.gz JQSHXMOGUZSPKD-NSHDSACASA-N 0 0 219.259 2.037 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CC[C@@H](F)C2)ccn1 ZINC000335982828 134038171 /nfs/dbraw/zinc/03/81/71/134038171.db2.gz HPTDKJCYCXNQSG-GHMZBOCLSA-N 0 0 222.263 2.010 50 0 BEAARN Cc1ccncc1C(=O)N1CCC=C(F)C1 ZINC000335986746 134039072 /nfs/dbraw/zinc/03/90/72/134039072.db2.gz QYYZVBOACGTRHW-UHFFFAOYSA-N 0 0 220.247 2.089 50 0 BEAARN Cc1ccccc1N1N[C@@](C)(C(C)C)NC1=O ZINC000334160392 134160006 /nfs/dbraw/zinc/16/00/06/134160006.db2.gz CNPOANYTRFRYKU-ZDUSSCGKSA-N 0 0 233.315 2.401 50 0 BEAARN Cc1nnc(CNc2ccc(C)c(F)c2)o1 ZINC000219167006 134274888 /nfs/dbraw/zinc/27/48/88/134274888.db2.gz IDQZYDVWDFRWMO-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN COc1cc(NC2CCOCC2)ccc1F ZINC000162853164 134847921 /nfs/dbraw/zinc/84/79/21/134847921.db2.gz BSBGFOSYPDZYRW-UHFFFAOYSA-N 0 0 225.263 2.425 50 0 BEAARN O=C(C1CC=CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000077737540 135075423 /nfs/dbraw/zinc/07/54/23/135075423.db2.gz GXSJENUXPIHDHD-QWHCGFSZSA-N 0 0 235.327 2.123 50 0 BEAARN O=C(C1CC=CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000077737541 135075949 /nfs/dbraw/zinc/07/59/49/135075949.db2.gz GXSJENUXPIHDHD-STQMWFEESA-N 0 0 235.327 2.123 50 0 BEAARN Nc1cccc(CN2CCC(F)(F)C2)c1 ZINC000259428124 135142346 /nfs/dbraw/zinc/14/23/46/135142346.db2.gz IZMGGXBCCLVYJE-UHFFFAOYSA-N 0 0 212.243 2.110 50 0 BEAARN CCOC(=O)c1c(F)c(C)cc(N)c1F ZINC000260078686 135146763 /nfs/dbraw/zinc/14/67/63/135146763.db2.gz NDWJVRHOXGIKHB-UHFFFAOYSA-N 0 0 215.199 2.032 50 0 BEAARN COC[C@@H](C)NC(=O)N1C[C@H](C)c2ccccc21 ZINC000079115524 135282182 /nfs/dbraw/zinc/28/21/82/135282182.db2.gz FPTWLSMDSHDHRM-WDEREUQCSA-N 0 0 248.326 2.355 50 0 BEAARN CNC(=O)CS[C@H](C)CCc1ccccc1 ZINC000079385094 135309911 /nfs/dbraw/zinc/30/99/11/135309911.db2.gz DGWLRGFGXLTPCC-LLVKDONJSA-N 0 0 237.368 2.487 50 0 BEAARN O=C([O-])CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000263336284 135347727 /nfs/dbraw/zinc/34/77/27/135347727.db2.gz QWRUYAGLZAPFBK-ZIAGYGMSSA-N 0 0 247.338 2.462 50 0 BEAARN CC(C)CC[N@@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263347342 135348059 /nfs/dbraw/zinc/34/80/59/135348059.db2.gz OYUBWBMWWPJJHR-GHMZBOCLSA-N 0 0 213.321 2.075 50 0 BEAARN Cc1nccc(N2CCC(F)(F)[C@@H](C)C2)n1 ZINC000334387097 135383386 /nfs/dbraw/zinc/38/33/86/135383386.db2.gz OSAOPOKJUDWXDA-QMMMGPOBSA-N 0 0 227.258 2.267 50 0 BEAARN Cc1cccc(C(=O)N2CC(CF)C2)c1 ZINC000335222657 135410189 /nfs/dbraw/zinc/41/01/89/135410189.db2.gz RLEAFVFDJNRKTC-UHFFFAOYSA-N 0 0 207.248 2.037 50 0 BEAARN Cc1ccc2oc(NC3(CO)CC3)nc2c1 ZINC000089665673 135539182 /nfs/dbraw/zinc/53/91/82/135539182.db2.gz ZBDZCGZOEVFJNN-UHFFFAOYSA-N 0 0 218.256 2.073 50 0 BEAARN Cc1nnc(N(C)Cc2ccc(F)cc2)o1 ZINC000335200344 135954625 /nfs/dbraw/zinc/95/46/25/135954625.db2.gz UXMBFWCVFDOQTL-UHFFFAOYSA-N 0 0 221.235 2.154 50 0 BEAARN CSC1(C(=O)Nc2cncc(F)c2)CC1 ZINC000335245082 135981362 /nfs/dbraw/zinc/98/13/62/135981362.db2.gz IGZAATQHIUNSIX-UHFFFAOYSA-N 0 0 226.276 2.055 50 0 BEAARN O=C(N[C@H]1CC[C@@H](F)C1)c1ccccc1 ZINC000335316409 136025164 /nfs/dbraw/zinc/02/51/64/136025164.db2.gz NSLWDKZVFDXDEY-MNOVXSKESA-N 0 0 207.248 2.307 50 0 BEAARN Cc1cc(C(=O)Oc2c(C)nn(C)c2C)c(C)o1 ZINC000098013249 397804301 /nfs/dbraw/zinc/80/43/01/397804301.db2.gz MMKLHYKJRYTKFP-UHFFFAOYSA-N 0 0 248.282 2.466 50 0 BEAARN C[C@]1(CO)CCC[C@H]1Nc1ccccn1 ZINC000098013797 397804338 /nfs/dbraw/zinc/80/43/38/397804338.db2.gz DOBSILVWMKGTTF-ZYHUDNBSSA-N 0 0 206.289 2.045 50 0 BEAARN CC(C)[C@H]1C[C@@]([NH3+])(C(=O)[O-])c2ccccc21 ZINC000170091530 397821961 /nfs/dbraw/zinc/82/19/61/397821961.db2.gz GKXUZTINRJOQLC-MFKMUULPSA-N 0 0 219.284 2.069 50 0 BEAARN O=c1[nH]ccc2cc(Br)cc(F)c12 ZINC000170608106 397824319 /nfs/dbraw/zinc/82/43/19/397824319.db2.gz KMHGAFPTESOYIQ-UHFFFAOYSA-N 0 0 242.047 2.430 50 0 BEAARN Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000020432677 397964770 /nfs/dbraw/zinc/96/47/70/397964770.db2.gz HJFWUSQQWRARDW-UHFFFAOYSA-N 0 0 230.195 2.200 50 0 BEAARN Cc1ccc(C(=O)Nc2ncccc2O)c(C)n1 ZINC000097371179 397928663 /nfs/dbraw/zinc/92/86/63/397928663.db2.gz TZJJGGROGAAINY-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN CCCCOC(=O)[C@@H](C)Sc1nccn1C ZINC000071922104 397934331 /nfs/dbraw/zinc/93/43/31/397934331.db2.gz FYYGXHKRTJRLKL-SECBINFHSA-N 0 0 242.344 2.244 50 0 BEAARN CCOc1ccccc1N[C@@H](C)C(=O)NC1CC1 ZINC000007057022 397959426 /nfs/dbraw/zinc/95/94/26/397959426.db2.gz SGAAWSWKNLQWJY-JTQLQIEISA-N 0 0 248.326 2.164 50 0 BEAARN CC(C)CCNC(=O)Cc1cccs1 ZINC000000030820 397913894 /nfs/dbraw/zinc/91/38/94/397913894.db2.gz CDMYSXJLHPNAKV-UHFFFAOYSA-N 0 0 211.330 2.453 50 0 BEAARN COC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000000029807 397913913 /nfs/dbraw/zinc/91/39/13/397913913.db2.gz XKPKRSFQPFDYKP-UHFFFAOYSA-N 0 0 221.256 2.068 50 0 BEAARN CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000000434553 397915226 /nfs/dbraw/zinc/91/52/26/397915226.db2.gz VYXRKQPPHPVQQU-UHFFFAOYSA-N 0 0 246.310 2.317 50 0 BEAARN COc1ccccc1NC(=O)CN1CCCCC1 ZINC000004272411 397922716 /nfs/dbraw/zinc/92/27/16/397922716.db2.gz RWJUCEIDXLZWIZ-UHFFFAOYSA-N 0 0 248.326 2.120 50 0 BEAARN CCc1cccc(NC(=O)Cn2ccnc2)c1 ZINC000029594141 397994779 /nfs/dbraw/zinc/99/47/79/397994779.db2.gz VHMUKXGVWIXABK-UHFFFAOYSA-N 0 0 229.283 2.084 50 0 BEAARN COC(=O)c1cc2ccc(OC)cc2o1 ZINC000033604983 398012730 /nfs/dbraw/zinc/01/27/30/398012730.db2.gz XSWDPIQGBIWAPT-UHFFFAOYSA-N 0 0 206.197 2.228 50 0 BEAARN Nc1nncc(-c2ccc3ccccc3c2)n1 ZINC000034959341 398017509 /nfs/dbraw/zinc/01/75/09/398017509.db2.gz SIJNFZWBLZMXDV-UHFFFAOYSA-N 0 0 222.251 2.274 50 0 BEAARN O=C1c2ccccc2C(=O)N1[C@H]1C=CCCC1 ZINC000039041665 398026711 /nfs/dbraw/zinc/02/67/11/398026711.db2.gz HMTXWVRLPMCEGE-JTQLQIEISA-N 0 0 227.263 2.391 50 0 BEAARN Cc1cc(C)cc(C(=O)N2CCSCC2)c1 ZINC000040542050 398028438 /nfs/dbraw/zinc/02/84/38/398028438.db2.gz WXCJRLFPCIUWME-UHFFFAOYSA-N 0 0 235.352 2.492 50 0 BEAARN CC(=O)Nc1ccccc1-c1nc(C)no1 ZINC000022462803 397974456 /nfs/dbraw/zinc/97/44/56/397974456.db2.gz NJSKFWLKZUREQP-UHFFFAOYSA-N 0 0 217.228 2.003 50 0 BEAARN CCOc1ccc(-c2cccc3ccnn32)nn1 ZINC000072174511 397978973 /nfs/dbraw/zinc/97/89/73/397978973.db2.gz XBXDLOCMTOXGQO-UHFFFAOYSA-N 0 0 240.266 2.190 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000025768059 397985570 /nfs/dbraw/zinc/98/55/70/397985570.db2.gz ZTPUEFLZJJXUPA-RNFRBKRXSA-N 0 0 222.313 2.226 50 0 BEAARN CSCC(=O)N(C)Cc1ccccc1 ZINC000050123447 398043687 /nfs/dbraw/zinc/04/36/87/398043687.db2.gz XXJLEGYDCYFWLS-UHFFFAOYSA-N 0 0 209.314 2.008 50 0 BEAARN COC[C@@H]1CCCN(c2cccc(F)n2)C1 ZINC000079089842 398065616 /nfs/dbraw/zinc/06/56/16/398065616.db2.gz GCHFXAPITXSJPF-SNVBAGLBSA-N 0 0 224.279 2.084 50 0 BEAARN OCCCOC12CC3CC(CC(C3)C1)C2 ZINC000065336751 398083112 /nfs/dbraw/zinc/08/31/12/398083112.db2.gz GGBMJNNJKFAJNE-UHFFFAOYSA-N 0 0 210.317 2.354 50 0 BEAARN CC(C)[C@@H]1CN(C(=O)C2CCC2)CCS1 ZINC000089802097 398087700 /nfs/dbraw/zinc/08/77/00/398087700.db2.gz ZUIFXYDMRLNGOH-NSHDSACASA-N 0 0 227.373 2.387 50 0 BEAARN COc1ccnc2cc(Br)cnc21 ZINC000130606326 398096688 /nfs/dbraw/zinc/09/66/88/398096688.db2.gz XDIMNXCQMNDHRH-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN CCCc1nnc(SCc2ccccn2)[nH]1 ZINC000031196861 398108671 /nfs/dbraw/zinc/10/86/71/398108671.db2.gz HXIBKXIYGZCTDP-UHFFFAOYSA-N 0 0 234.328 2.445 50 0 BEAARN CCc1ccc([C@@H](CO)Nc2ncccn2)cc1 ZINC000095973789 398113349 /nfs/dbraw/zinc/11/33/49/398113349.db2.gz CFPMVQUURDLVEE-CYBMUJFWSA-N 0 0 243.310 2.185 50 0 BEAARN CC(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000127317 167130466 /nfs/dbraw/zinc/13/04/66/167130466.db2.gz SURQJARFZVYLFJ-UHFFFAOYSA-N 0 0 233.720 2.027 50 0 BEAARN CC(C)Nc1nccc(C(F)(F)F)n1 ZINC000000066510 167149242 /nfs/dbraw/zinc/14/92/42/167149242.db2.gz SSVFVGRBHSWSPQ-UHFFFAOYSA-N 0 0 205.183 2.316 50 0 BEAARN CS[C@@H](C)C(=O)NCc1sccc1C ZINC000036398266 175536331 /nfs/dbraw/zinc/53/63/31/175536331.db2.gz GHZYJRZVJKEEJT-QMMMGPOBSA-N 0 0 229.370 2.424 50 0 BEAARN CCc1nsc(N2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000585092032 487577052 /nfs/dbraw/zinc/57/70/52/487577052.db2.gz BNXDCILHQYNZQN-SECBINFHSA-N 0 0 249.343 2.165 50 0 BEAARN Cn1ncc(C2CC2)c1/C=C/c1ccncn1 ZINC000585091653 487576939 /nfs/dbraw/zinc/57/69/39/487576939.db2.gz HTLRFTKESPYQEY-SNAWJCMRSA-N 0 0 226.283 2.258 50 0 BEAARN CC[C@@H](NC(C)=O)c1ccc2c(c1)OCCO2 ZINC000048812738 409919960 /nfs/dbraw/zinc/91/99/60/409919960.db2.gz SDVREEGDUBEYNN-LLVKDONJSA-N 0 0 235.283 2.045 50 0 BEAARN CC[C@H](C[C@@H](C)CO)Nc1cccc(F)n1 ZINC000096436786 409985392 /nfs/dbraw/zinc/98/53/92/409985392.db2.gz GTTOLSAKFIFOCH-NXEZZACHSA-N 0 0 226.295 2.430 50 0 BEAARN CC(=O)c1cc(-c2ccccc2)nn1C ZINC000075587617 410051972 /nfs/dbraw/zinc/05/19/72/410051972.db2.gz YRSROYIOFLYAMT-UHFFFAOYSA-N 0 0 200.241 2.290 50 0 BEAARN COC(=O)c1snc(-c2ccc(C)cc2)c1N ZINC000033268021 410048587 /nfs/dbraw/zinc/04/85/87/410048587.db2.gz AUOXTAKZSPNUBH-UHFFFAOYSA-N 0 0 248.307 2.487 50 0 BEAARN COC[C@H](C)Nc1ccc(C)c(C(=O)OC)c1 ZINC000097095699 410052951 /nfs/dbraw/zinc/05/29/51/410052951.db2.gz DTYFLGWYLXEYTA-JTQLQIEISA-N 0 0 237.299 2.228 50 0 BEAARN Brc1ccc(CN2CCCC2)nc1 ZINC000117411716 166097180 /nfs/dbraw/zinc/09/71/80/166097180.db2.gz ATGCISZUJORBTF-UHFFFAOYSA-N 0 0 241.132 2.440 50 0 BEAARN Brc1ccc(-c2ncon2)cc1 ZINC000012471931 166097432 /nfs/dbraw/zinc/09/74/32/166097432.db2.gz OOQNOWMRFJKXTC-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1ccc(-c2nnco2)cc1 ZINC000000111351 166097462 /nfs/dbraw/zinc/09/74/62/166097462.db2.gz UGBVZNXXRZISHN-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1ccc2c(c1)C=NCC2 ZINC000095910973 166099948 /nfs/dbraw/zinc/09/99/48/166099948.db2.gz YQQLGLRTMLGKDQ-UHFFFAOYSA-N 0 0 210.074 2.424 50 0 BEAARN Brc1cccc2c1OCO2 ZINC000000158549 166100973 /nfs/dbraw/zinc/10/09/73/166100973.db2.gz VZPMQHSDFWAZHP-UHFFFAOYSA-N 0 0 201.019 2.178 50 0 BEAARN Brc1cccc2c1OCCN2 ZINC000008699793 166101344 /nfs/dbraw/zinc/10/13/44/166101344.db2.gz NUVCHIRBNLDKJQ-UHFFFAOYSA-N 0 0 214.062 2.253 50 0 BEAARN Brc1cccc(-c2ncno2)c1 ZINC000068592242 166101789 /nfs/dbraw/zinc/10/17/89/166101789.db2.gz NYBYWEHHRSDQPJ-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Fc1cc2cccnc2c(CN2CCOCC2)c1 ZINC000046502112 410165241 /nfs/dbraw/zinc/16/52/41/410165241.db2.gz SPKRWTIKLLNPLL-UHFFFAOYSA-N 0 0 246.285 2.206 50 0 BEAARN Brc1ccncc1N1CCSC1 ZINC000169725553 166103074 /nfs/dbraw/zinc/10/30/74/166103074.db2.gz GCFLHFYPZLEVQR-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN Brc1ccn([C@@H]2CCCCO2)n1 ZINC000071773483 166103124 /nfs/dbraw/zinc/10/31/24/166103124.db2.gz DFCAINPSKAFWCM-QMMMGPOBSA-N 0 0 231.093 2.345 50 0 BEAARN Brc1cnc2n1CCCCC2 ZINC000016124759 166104955 /nfs/dbraw/zinc/10/49/55/166104955.db2.gz UWZONBZFTQTRBD-UHFFFAOYSA-N 0 0 215.094 2.372 50 0 BEAARN Brc1cnc(NC2CC=CC2)nc1 ZINC000095413921 166105108 /nfs/dbraw/zinc/10/51/08/166105108.db2.gz ZNMUBPSOUFKSLS-UHFFFAOYSA-N 0 0 240.104 2.370 50 0 BEAARN Brc1cnn(-c2ccccn2)c1 ZINC000016697081 166105717 /nfs/dbraw/zinc/10/57/17/166105717.db2.gz FQTMKCJYDXTYMK-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1cnnc(Br)c1 ZINC000038530170 166105732 /nfs/dbraw/zinc/10/57/32/166105732.db2.gz DRNLOOKBPHONSJ-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN CCN(CC)C(=O)C(=O)c1c[nH]c2ccccc12 ZINC000002030604 169745502 /nfs/dbraw/zinc/74/55/02/169745502.db2.gz ACOOWHAYSBIVFN-UHFFFAOYSA-N 0 0 244.294 2.219 50 0 BEAARN CCN(CC)C(=O)c1cc(Br)c[nH]1 ZINC000012338435 169759335 /nfs/dbraw/zinc/75/93/35/169759335.db2.gz XDOVQMGABONHHJ-UHFFFAOYSA-N 0 0 245.120 2.259 50 0 BEAARN CONC(=O)N1CCCC[C@@H]1CC(C)C ZINC000167059533 410569141 /nfs/dbraw/zinc/56/91/41/410569141.db2.gz UGWFYOSPNVNUGF-SNVBAGLBSA-N 0 0 214.309 2.158 50 0 BEAARN CC(=O)c1ccc(C(=O)NC(C)C)s1 ZINC000012945374 166456072 /nfs/dbraw/zinc/45/60/72/166456072.db2.gz JOWLHRFTXRPNOC-UHFFFAOYSA-N 0 0 211.286 2.089 50 0 BEAARN CC(=O)c1cccc(NC(=O)c2cc(C)[nH]n2)c1 ZINC000005941289 166476711 /nfs/dbraw/zinc/47/67/11/166476711.db2.gz QELLXXWSBRKRMY-UHFFFAOYSA-N 0 0 243.266 2.173 50 0 BEAARN CC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041194560 166526866 /nfs/dbraw/zinc/52/68/66/166526866.db2.gz IBDMIFOARPMDBY-WDEREUQCSA-N 0 0 225.332 2.203 50 0 BEAARN CC(C)(C)C(=O)NCCOc1ccccc1 ZINC000049984534 166529843 /nfs/dbraw/zinc/52/98/43/166529843.db2.gz HKRHAINOBSENLC-UHFFFAOYSA-N 0 0 221.300 2.228 50 0 BEAARN CC(C)(C)NC(=O)c1ccc(Cl)nc1 ZINC000019264450 166627758 /nfs/dbraw/zinc/62/77/58/166627758.db2.gz OJIUMMXADBUVFN-UHFFFAOYSA-N 0 0 212.680 2.263 50 0 BEAARN CC(C)(C)OC(=O)NC[C@@H]1CCCCC1=O ZINC000071372435 166662259 /nfs/dbraw/zinc/66/22/59/166662259.db2.gz URNWDOSTYDPAKR-VIFPVBQESA-N 0 0 227.304 2.270 50 0 BEAARN CC(C)(C)Oc1nccc(Br)n1 ZINC000044117979 166687534 /nfs/dbraw/zinc/68/75/34/166687534.db2.gz VUEKMEFODVJTDN-UHFFFAOYSA-N 0 0 231.093 2.416 50 0 BEAARN CC(C)C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000031913827 166704511 /nfs/dbraw/zinc/70/45/11/166704511.db2.gz WMISDWLJGJGFRR-UHFFFAOYSA-N 0 0 231.299 2.177 50 0 BEAARN CC(C)C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000040534931 166720887 /nfs/dbraw/zinc/72/08/87/166720887.db2.gz YUMPTQFITLTHSH-NWDGAFQWSA-N 0 0 227.348 2.354 50 0 BEAARN CC(C)C1(CNC(=O)NCC2CC2)CC1 ZINC000175574765 166743948 /nfs/dbraw/zinc/74/39/48/166743948.db2.gz GQIWZFNDCOSVGC-UHFFFAOYSA-N 0 0 210.321 2.132 50 0 BEAARN CC(C)CC(=O)NCc1ccccc1F ZINC000012382094 166768408 /nfs/dbraw/zinc/76/84/08/166768408.db2.gz RMTMMQUQGSRAKS-UHFFFAOYSA-N 0 0 209.264 2.488 50 0 BEAARN CC(C)CC(=O)N[C@H](C)c1cccnc1 ZINC000048332836 166770202 /nfs/dbraw/zinc/77/02/02/166770202.db2.gz MLWUQMRTTAACAU-SNVBAGLBSA-N 0 0 206.289 2.305 50 0 BEAARN CCn1c2ccccc2nc1-c1cnn(C)c1N ZINC000103439072 410895461 /nfs/dbraw/zinc/89/54/61/410895461.db2.gz IJZMJRVVOOWJRP-UMWHYXGWSA-N 0 0 241.298 2.058 50 0 BEAARN CC(C)CNC(=O)c1cc(Cl)ccn1 ZINC000012983956 166997727 /nfs/dbraw/zinc/99/77/27/166997727.db2.gz ZJDYIUXKACSGPO-UHFFFAOYSA-N 0 0 212.680 2.121 50 0 BEAARN CC(C)CNC(=O)c1csc(-n2cccc2)n1 ZINC000044448347 167000612 /nfs/dbraw/zinc/00/06/12/167000612.db2.gz KGGDTIVPBRCHDB-UHFFFAOYSA-N 0 0 249.339 2.320 50 0 BEAARN CC(C)N1C[C@@H](COc2ccccc2)OC1=O ZINC000000050159 167031086 /nfs/dbraw/zinc/03/10/86/167031086.db2.gz MXVRQYRDTPBYJX-LBPRGKRZSA-N 0 0 235.283 2.295 50 0 BEAARN CC(C)NC(=O)Cc1csc(C(C)C)n1 ZINC000040523134 167064365 /nfs/dbraw/zinc/06/43/65/167064365.db2.gz VKBDAGBCYCLUDU-UHFFFAOYSA-N 0 0 226.345 2.334 50 0 BEAARN CC(C)NC(=O)N(C)Cc1ccc(F)cc1 ZINC000012917585 167066471 /nfs/dbraw/zinc/06/64/71/167066471.db2.gz KOQGHLJHTQJMHC-UHFFFAOYSA-N 0 0 224.279 2.376 50 0 BEAARN CC(C)NC(=O)NCCc1ccc(F)cc1 ZINC000012953726 167073006 /nfs/dbraw/zinc/07/30/06/167073006.db2.gz BAAPZKLBCPYALF-UHFFFAOYSA-N 0 0 224.279 2.076 50 0 BEAARN CC(C)NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000050077422 167084238 /nfs/dbraw/zinc/08/42/38/167084238.db2.gz PGXSVFXKEOINNN-VIFPVBQESA-N 0 0 225.263 2.118 50 0 BEAARN CC(C)NC(=O)c1cccc2c1CCCN2 ZINC000009378911 167089341 /nfs/dbraw/zinc/08/93/41/167089341.db2.gz DXKADNCPYJNZER-UHFFFAOYSA-N 0 0 218.300 2.183 50 0 BEAARN CC(C)OC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000035462381 167173891 /nfs/dbraw/zinc/17/38/91/167173891.db2.gz BWCSTINKMCGDSC-UHFFFAOYSA-N 0 0 245.278 2.104 50 0 BEAARN CC(C)Oc1ccc(C(=O)NC2CC2)cc1 ZINC000008478204 167290075 /nfs/dbraw/zinc/29/00/75/167290075.db2.gz SMTASHYJEHIXDD-UHFFFAOYSA-N 0 0 219.284 2.366 50 0 BEAARN CC(C)Oc1ccc(CNC(=O)C2CCC2)cn1 ZINC000048515379 167294495 /nfs/dbraw/zinc/29/44/95/167294495.db2.gz YSPJPHIKBGAJBG-UHFFFAOYSA-N 0 0 248.326 2.285 50 0 BEAARN CC(C)Oc1ncccc1NC1CCOCC1 ZINC000042392151 167314166 /nfs/dbraw/zinc/31/41/66/167314166.db2.gz ZOJIJDJXAVOSTK-UHFFFAOYSA-N 0 0 236.315 2.460 50 0 BEAARN Cc1noc(C)c1C(=O)N[C@@H](C)Cc1ccco1 ZINC000044913201 411142344 /nfs/dbraw/zinc/14/23/44/411142344.db2.gz BFLFXERKWXLOHG-QMMMGPOBSA-N 0 0 248.282 2.245 50 0 BEAARN CONC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000045013879 411143151 /nfs/dbraw/zinc/14/31/51/411143151.db2.gz HGNFPJRXUCUKNU-UHFFFAOYSA-N 0 0 239.319 2.053 50 0 BEAARN CC(C)c1nnc(NC(=O)C2CCC2)s1 ZINC000008117164 167710498 /nfs/dbraw/zinc/71/04/98/167710498.db2.gz PKSHMHDVMATBJW-UHFFFAOYSA-N 0 0 225.317 2.400 50 0 BEAARN CCn1cc(NC(=O)CCC(C)C)ccc1=O ZINC000047182049 411112858 /nfs/dbraw/zinc/11/28/58/411112858.db2.gz UEFKSMAPZLTJNS-UHFFFAOYSA-N 0 0 236.315 2.243 50 0 BEAARN CCc1cccc(NC(=O)N2CCC[C@@H](O)C2)c1 ZINC000043333822 411115412 /nfs/dbraw/zinc/11/54/12/411115412.db2.gz AGTXHRWZPHSKJY-CYBMUJFWSA-N 0 0 248.326 2.238 50 0 BEAARN CC(C)c1noc([C@H](C)N2CCSCC2)n1 ZINC000047986445 411168425 /nfs/dbraw/zinc/16/84/25/411168425.db2.gz CKMWLWJGLZQPOZ-VIFPVBQESA-N 0 0 241.360 2.303 50 0 BEAARN O=c1ccc(-c2noc(-c3cccs3)n2)c[nH]1 ZINC000075505255 411172303 /nfs/dbraw/zinc/17/23/03/411172303.db2.gz ZSUORFUFDMQPNF-UHFFFAOYSA-N 0 0 245.263 2.153 50 0 BEAARN CC(C)=CC(=O)NC[C@@H](C)Cn1nc(C)cc1C ZINC000048408300 411197086 /nfs/dbraw/zinc/19/70/86/411197086.db2.gz REERPVBEZAAXOC-LLVKDONJSA-N 0 0 249.358 2.218 50 0 BEAARN CCO[C@H]1CCCN(C(=O)Nc2cccnc2)C1 ZINC000049023683 411222020 /nfs/dbraw/zinc/22/20/20/411222020.db2.gz BRIXHJFDJOSQOP-LBPRGKRZSA-N 0 0 249.314 2.114 50 0 BEAARN COCc1nc(-c2ccc(O)cc2O)cs1 ZINC000049079315 411223454 /nfs/dbraw/zinc/22/34/54/411223454.db2.gz YYPHUDJSCBPJAO-UHFFFAOYSA-N 0 0 237.280 2.368 50 0 BEAARN CC/C=C(/C)C(=O)NCc1nc(C)cs1 ZINC000042749670 167827837 /nfs/dbraw/zinc/82/78/37/167827837.db2.gz ZHCUWOGHDHDZLB-YVMONPNESA-N 0 0 224.329 2.424 50 0 BEAARN Cc1nc(-c2ccc(C(=O)NC(C)C)cc2)no1 ZINC000064543274 411269841 /nfs/dbraw/zinc/26/98/41/411269841.db2.gz IGEZMAUCOGSOTN-UHFFFAOYSA-N 0 0 245.282 2.183 50 0 BEAARN CC1(C)CC(=O)c2ccccc2[S@]1=O ZINC000039236521 167883825 /nfs/dbraw/zinc/88/38/25/167883825.db2.gz WOOJHNTVFKIULA-AWEZNQCLSA-N 0 0 208.282 2.159 50 0 BEAARN CC[C@@H]1CN(C(=O)c2sccc2C)CCO1 ZINC000040062968 411326485 /nfs/dbraw/zinc/32/64/85/411326485.db2.gz JIUMOFBUXSXDCH-SNVBAGLBSA-N 0 0 239.340 2.308 50 0 BEAARN CC1(C)CN(C(=O)CCC2CC2)CC[C@]1(C)O ZINC000091365267 167945893 /nfs/dbraw/zinc/94/58/93/167945893.db2.gz RLTFPXYBYPUTNU-AWEZNQCLSA-N 0 0 239.359 2.186 50 0 BEAARN Cc1nc(CNc2nnc(C3CC3)n2C)cs1 ZINC000656777568 411355919 /nfs/dbraw/zinc/35/59/19/411355919.db2.gz VGAXGPCJRVCXEX-UHFFFAOYSA-N 0 0 249.343 2.070 50 0 BEAARN CC1(C)C[C@@H]1C(=O)NCCc1cccs1 ZINC000151620766 167982139 /nfs/dbraw/zinc/98/21/39/167982139.db2.gz CGNQKZJGTMNYOG-SNVBAGLBSA-N 0 0 223.341 2.453 50 0 BEAARN CC1(C)[C@H](Nc2nc(C3CC3)no2)[C@@H]2CCO[C@H]21 ZINC000230088169 168005995 /nfs/dbraw/zinc/00/59/95/168005995.db2.gz OMPZXOQPZZIHMZ-IVZWLZJFSA-N 0 0 249.314 2.172 50 0 BEAARN CC1(COc2cc(F)cc(F)c2)COC1 ZINC000360865143 168051319 /nfs/dbraw/zinc/05/13/19/168051319.db2.gz NKRXHIXIBVBPTR-UHFFFAOYSA-N 0 0 214.211 2.380 50 0 BEAARN CC(C)(C)OC(=O)NC1(C)CCC(O)CC1 ZINC000039111181 168058547 /nfs/dbraw/zinc/05/85/47/168058547.db2.gz JJAVBBNDEUQQSR-UHFFFAOYSA-N 0 0 229.320 2.205 50 0 BEAARN CC1(OC(=O)C2CCC(=O)CC2)CCC1 ZINC000096013448 168071091 /nfs/dbraw/zinc/07/10/91/168071091.db2.gz CKGDSFLZMRVJOB-UHFFFAOYSA-N 0 0 210.273 2.232 50 0 BEAARN Cc1nccn1[C@H](C)CC(=O)N1CC=C(C)CC1 ZINC000299763262 168105611 /nfs/dbraw/zinc/10/56/11/168105611.db2.gz ZIVIWCAOAVIMAJ-GFCCVEGCSA-N 0 0 247.342 2.321 50 0 BEAARN CC(N=O)=C1NC(c2ccccc2)N=C1C ZINC000097054184 168132915 /nfs/dbraw/zinc/13/29/15/168132915.db2.gz QPCVZDZVSYZGIR-LUAWRHEFSA-N 0 0 215.256 2.118 50 0 BEAARN CC1=N/C(=C\c2ccc(F)cc2)C(=O)O1 ZINC000005296563 168133096 /nfs/dbraw/zinc/13/30/96/168133096.db2.gz CJDRPIOMZCOCEB-POHAHGRESA-N 0 0 205.188 2.142 50 0 BEAARN CC1N=NC(=O)O[C@]1(C)c1ccccc1 ZINC000004776601 168136042 /nfs/dbraw/zinc/13/60/42/168136042.db2.gz CWZAHGNWKZHUDH-NSHDSACASA-N 0 0 204.229 2.018 50 0 BEAARN CC1CCC(NC(=O)/C=C\c2cnn(C)c2)CC1 ZINC000214991597 168159025 /nfs/dbraw/zinc/15/90/25/168159025.db2.gz GHERZNKYUAQVGA-YVMONPNESA-N 0 0 247.342 2.128 50 0 BEAARN C[C@H](C(=O)NC1CCC(C)CC1)n1cccn1 ZINC000028276289 168161920 /nfs/dbraw/zinc/16/19/20/168161920.db2.gz NBWOEFAJBGJGFQ-MOENNCHZSA-N 0 0 235.331 2.139 50 0 BEAARN CC1CCC(NC(=O)c2cccnc2)CC1 ZINC000012949250 168163188 /nfs/dbraw/zinc/16/31/88/168163188.db2.gz KEDYJPOPSAKWJF-UHFFFAOYSA-N 0 0 218.300 2.390 50 0 BEAARN CC1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000040506069 168171335 /nfs/dbraw/zinc/17/13/35/168171335.db2.gz KATJHCVHUSMQPX-GFCCVEGCSA-N 0 0 225.332 2.204 50 0 BEAARN CC1CCN(C(=O)Nc2cccnc2)CC1 ZINC000040474188 168175014 /nfs/dbraw/zinc/17/50/14/168175014.db2.gz HYFMAKRGIFZRNC-UHFFFAOYSA-N 0 0 219.288 2.345 50 0 BEAARN CC1CCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000037150921 168176766 /nfs/dbraw/zinc/17/67/66/168176766.db2.gz TUUDUTHPXYUKAA-UHFFFAOYSA-N 0 0 243.310 2.435 50 0 BEAARN CC1CCN(CNC(=O)c2ccccc2)CC1 ZINC000000811654 168182872 /nfs/dbraw/zinc/18/28/72/168182872.db2.gz VESCCJNPZRAIQN-UHFFFAOYSA-N 0 0 232.327 2.106 50 0 BEAARN CCC(=O)N(C)CCOc1ccccc1F ZINC000044874035 168211128 /nfs/dbraw/zinc/21/11/28/168211128.db2.gz IZCAQPKNYRWIFE-UHFFFAOYSA-N 0 0 225.263 2.073 50 0 BEAARN CCC(=O)N(CCOC)C[C@H]1CC=CCC1 ZINC000170611843 168213330 /nfs/dbraw/zinc/21/33/30/168213330.db2.gz CLSYMCWSHDATOA-LBPRGKRZSA-N 0 0 225.332 2.228 50 0 BEAARN CCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000041172148 168221450 /nfs/dbraw/zinc/22/14/50/168221450.db2.gz BOKMRUDUFAXMOI-LBPRGKRZSA-N 0 0 237.274 2.136 50 0 BEAARN CCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000071774167 168227501 /nfs/dbraw/zinc/22/75/01/168227501.db2.gz UURCXAYKCUYKSQ-UHFFFAOYSA-N 0 0 211.648 2.006 50 0 BEAARN CCC(=O)NCCc1csc(C(C)C)n1 ZINC000084718682 168229754 /nfs/dbraw/zinc/22/97/54/168229754.db2.gz JCQZSBLDFBYFOZ-UHFFFAOYSA-N 0 0 226.345 2.335 50 0 BEAARN CCC(=O)NCCSCc1ccccc1 ZINC000034240010 168230237 /nfs/dbraw/zinc/23/02/37/168230237.db2.gz LZJJHDKWZLQCGF-UHFFFAOYSA-N 0 0 223.341 2.446 50 0 BEAARN CCC(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000021174189 168234123 /nfs/dbraw/zinc/23/41/23/168234123.db2.gz LSZVRKXXZALELW-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000023646783 168237939 /nfs/dbraw/zinc/23/79/39/168237939.db2.gz BHVNNHXVBVFBKC-SNVBAGLBSA-N 0 0 205.257 2.036 50 0 BEAARN CCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1 ZINC000058109903 168238655 /nfs/dbraw/zinc/23/86/55/168238655.db2.gz BSFNLPBTWAKWNO-LLVKDONJSA-N 0 0 234.343 2.210 50 0 BEAARN CCC(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000004656416 168238708 /nfs/dbraw/zinc/23/87/08/168238708.db2.gz DYPLRCDALBMINT-SECBINFHSA-N 0 0 207.273 2.282 50 0 BEAARN CCC(=O)Nc1c(C)csc1C(=O)OC ZINC000128611716 168241745 /nfs/dbraw/zinc/24/17/45/168241745.db2.gz IVOKTNAFZOGPRS-UHFFFAOYSA-N 0 0 227.285 2.192 50 0 BEAARN CCC(=O)Nc1cc(OC)ccc1OC ZINC000000143182 168242877 /nfs/dbraw/zinc/24/28/77/168242877.db2.gz MMGJOLVHSCZNTA-UHFFFAOYSA-N 0 0 209.245 2.052 50 0 BEAARN CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000004870172 168244910 /nfs/dbraw/zinc/24/49/10/168244910.db2.gz ZKPKTFBPMOLBKU-UHFFFAOYSA-N 0 0 232.283 2.162 50 0 BEAARN CCC(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000000550926 168245448 /nfs/dbraw/zinc/24/54/48/168245448.db2.gz SYEMVBXKNDPXET-UHFFFAOYSA-N 0 0 217.272 2.230 50 0 BEAARN CCC(=O)Nc1cccc2nsnc21 ZINC000017083466 168246681 /nfs/dbraw/zinc/24/66/81/168246681.db2.gz DVVHICJERPRXIY-UHFFFAOYSA-N 0 0 207.258 2.040 50 0 BEAARN CCC(=O)Nc1nnc(-c2cccc(OC)c2)o1 ZINC000004276053 168248529 /nfs/dbraw/zinc/24/85/29/168248529.db2.gz GGQNCRAWPKCPET-UHFFFAOYSA-N 0 0 247.254 2.094 50 0 BEAARN CCC(C)(C)C(=O)NCc1ccncc1 ZINC000000030843 168266657 /nfs/dbraw/zinc/26/66/57/168266657.db2.gz RPJXDPRNKGMPGK-UHFFFAOYSA-N 0 0 206.289 2.134 50 0 BEAARN CCC(C)(C)NC(=O)/C=C\c1ccncc1 ZINC000098006723 168288757 /nfs/dbraw/zinc/28/87/57/168288757.db2.gz MVCSKPCFJUFDDB-WAYWQWQTSA-N 0 0 218.300 2.400 50 0 BEAARN CCC(C)(C)NC(=O)/C=C/c1cccnc1 ZINC000036397330 168289054 /nfs/dbraw/zinc/28/90/54/168289054.db2.gz NZVOQSSBWQPIJO-BQYQJAHWSA-N 0 0 218.300 2.400 50 0 BEAARN CCC(C)(C)NC(=O)Cn1cnc2ccccc21 ZINC000029358574 168291828 /nfs/dbraw/zinc/29/18/28/168291828.db2.gz WQXSDXCNGXLPKC-UHFFFAOYSA-N 0 0 245.326 2.341 50 0 BEAARN CCC(C)(C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000032666448 168294779 /nfs/dbraw/zinc/29/47/79/168294779.db2.gz QFXHKHFSLNJSBD-LBPRGKRZSA-N 0 0 249.310 2.131 50 0 BEAARN CCC(C)(C)NC(=O)c1cnc(C)s1 ZINC000063501985 168297323 /nfs/dbraw/zinc/29/73/23/168297323.db2.gz ALCBPRNTWXQKRU-UHFFFAOYSA-N 0 0 212.318 2.370 50 0 BEAARN COc1cc(OC)c(OC)cc1/C=C\C(C)=O ZINC000005824870 411410742 /nfs/dbraw/zinc/41/07/42/411410742.db2.gz RVJHEDDPVRNHMB-WAYWQWQTSA-N 0 0 236.267 2.315 50 0 BEAARN CCN1CN=C(SCc2ccc(C)cc2)NC1 ZINC000000144725 170026854 /nfs/dbraw/zinc/02/68/54/170026854.db2.gz GBXARNVUVNJFCX-UHFFFAOYSA-N 0 0 249.383 2.424 50 0 BEAARN CCN1Cc2cc(Cl)ccc2O[C@@H](C)C1=O ZINC000064542473 170040862 /nfs/dbraw/zinc/04/08/62/170040862.db2.gz IKFCYGMDWHDCJO-QMMMGPOBSA-N 0 0 239.702 2.469 50 0 BEAARN CCNC(=O)C1=C(c2ccccc2)OCCS1 ZINC000064551618 170043601 /nfs/dbraw/zinc/04/36/01/170043601.db2.gz UTTAZEPAXGDRTB-UHFFFAOYSA-N 0 0 249.335 2.255 50 0 BEAARN CCNC(=O)COc1cccc2c1CCCC2 ZINC000072117496 170068639 /nfs/dbraw/zinc/06/86/39/170068639.db2.gz ZKBRKQNCKSDNHY-UHFFFAOYSA-N 0 0 233.311 2.080 50 0 BEAARN CCNC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000098013999 170074914 /nfs/dbraw/zinc/07/49/14/170074914.db2.gz QRVPOMSSPMEJKM-YPMHNXCESA-N 0 0 248.326 2.178 50 0 BEAARN CCNC(=O)NCc1ccc(OCC)c(C)c1 ZINC000078984374 170081357 /nfs/dbraw/zinc/08/13/57/170081357.db2.gz WUGFVRVUUDNOJU-UHFFFAOYSA-N 0 0 236.315 2.213 50 0 BEAARN CCNC(=O)N[C@H]1C[C@@H]1c1ccc(C)c(C)c1 ZINC000058163631 170083766 /nfs/dbraw/zinc/08/37/66/170083766.db2.gz PQLSWSQCWAVIJX-OLZOCXBDSA-N 0 0 232.327 2.478 50 0 BEAARN CCNC(=O)Nc1nc2ccccc2s1 ZINC000001732689 170085275 /nfs/dbraw/zinc/08/52/75/170085275.db2.gz XITQIIBGCRJHAK-UHFFFAOYSA-N 0 0 221.285 2.438 50 0 BEAARN CCNC(=O)c1ccc(Br)s1 ZINC000013324264 170100857 /nfs/dbraw/zinc/10/08/57/170100857.db2.gz MCZJXRSQHCIODB-UHFFFAOYSA-N 0 0 234.118 2.260 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000013011747 170103689 /nfs/dbraw/zinc/10/36/89/170103689.db2.gz JWMDRRQNALENEU-SKDRFNHKSA-N 0 0 246.310 2.031 50 0 BEAARN CCNc1nc(C)c(C(=O)OCC)s1 ZINC000000553547 170176427 /nfs/dbraw/zinc/17/64/27/170176427.db2.gz KPQUGWQEVWMJTR-UHFFFAOYSA-N 0 0 214.290 2.060 50 0 BEAARN CCNc1nc(Cl)nc(N[C@H](C)CC)n1 ZINC000002029334 170176989 /nfs/dbraw/zinc/17/69/89/170176989.db2.gz BZRUVKZGXNSXMB-ZCFIWIBFSA-N 0 0 229.715 2.167 50 0 in-vitro BEAARN CCNc1nc(Cl)nc(N[C@@H](C)CC)n1 ZINC000002029336 170177394 /nfs/dbraw/zinc/17/73/94/170177394.db2.gz BZRUVKZGXNSXMB-LURJTMIESA-N 0 0 229.715 2.167 50 0 in-vitro BEAARN CCO/C(C)=C1/c2ccccc2NC1=O ZINC000012341675 170179421 /nfs/dbraw/zinc/17/94/21/170179421.db2.gz DBZGHTSNYWYREJ-FLIBITNWSA-N 0 0 203.241 2.406 50 0 BEAARN CCOC(=O)C=C(C)Nc1ccc2cn[nH]c2c1 ZINC000001395193 170182874 /nfs/dbraw/zinc/18/28/74/170182874.db2.gz ZVMWVOLTSHQXNK-RMKNXTFCSA-N 0 0 245.282 2.442 50 0 BEAARN CCOC(=O)C(=O)c1cccc(OC(C)C)c1 ZINC000004255780 170184661 /nfs/dbraw/zinc/18/46/61/170184661.db2.gz LVDKOUVDXCVLRG-UHFFFAOYSA-N 0 0 236.267 2.220 50 0 BEAARN CCOC(=O)C(=O)c1ccc(Cl)c(C)c1 ZINC000004255743 170184990 /nfs/dbraw/zinc/18/49/90/170184990.db2.gz ZQRICMRDLKNJBT-UHFFFAOYSA-N 0 0 226.659 2.394 50 0 BEAARN CCOC(=O)C(=O)c1ccc(Cl)cc1F ZINC000085650766 170185060 /nfs/dbraw/zinc/18/50/60/170185060.db2.gz JPRAMEBZOXFRRI-UHFFFAOYSA-N 0 0 230.622 2.225 50 0 BEAARN CCOC(=O)C(F)(F)Oc1ccccc1 ZINC000003134892 170188092 /nfs/dbraw/zinc/18/80/92/170188092.db2.gz GEUKLLVBEHNCAL-UHFFFAOYSA-N 0 0 216.183 2.221 50 0 BEAARN CCOC(=O)C(F)(F)c1cccc(C)n1 ZINC000034409010 170189071 /nfs/dbraw/zinc/18/90/71/170189071.db2.gz PQERDYNTMXQQCR-UHFFFAOYSA-N 0 0 215.199 2.045 50 0 BEAARN CCOC(=O)C1=C(N)S[C@@H]2CCCC[C@H]12 ZINC000019626546 170191257 /nfs/dbraw/zinc/19/12/57/170191257.db2.gz MHLOZPWQZPKMGT-JGVFFNPUSA-N 0 0 227.329 2.025 50 0 BEAARN CCOC(=O)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000055473719 170191677 /nfs/dbraw/zinc/19/16/77/170191677.db2.gz HPBHOJNKSYJCRT-UHFFFAOYSA-N 0 0 245.322 2.382 50 0 BEAARN CCOC(=O)C1=CCC[N@H+](Cc2ccccc2)C1 ZINC000072194135 170191755 /nfs/dbraw/zinc/19/17/55/170191755.db2.gz GATVCEPLAPUOKG-UHFFFAOYSA-N 0 0 245.322 2.382 50 0 BEAARN CCOC(=O)CC(=O)[C@@H](C)c1ccccc1 ZINC000038284059 170197216 /nfs/dbraw/zinc/19/72/16/170197216.db2.gz KSMHHMZHHCZPSP-JTQLQIEISA-N 0 0 220.268 2.312 50 0 BEAARN CCOC(=O)CCC(=O)c1c(F)cccc1F ZINC000002378979 170198918 /nfs/dbraw/zinc/19/89/18/170198918.db2.gz AINAHYKZRYTOQG-UHFFFAOYSA-N 0 0 242.221 2.491 50 0 BEAARN CCOC(=O)CCCCC(=O)C1CCC1 ZINC000002379035 170198954 /nfs/dbraw/zinc/19/89/54/170198954.db2.gz GOYGJHGQVWXZDH-UHFFFAOYSA-N 0 0 212.289 2.479 50 0 BEAARN CCOC(=O)CN(C(C)=O)c1cccc(C)c1C ZINC000004542230 170213155 /nfs/dbraw/zinc/21/31/55/170213155.db2.gz CVTIVKIHZXXJGP-UHFFFAOYSA-N 0 0 249.310 2.219 50 0 BEAARN CCOC(=O)COc1cc(N)c(F)cc1Cl ZINC000000167401 170228618 /nfs/dbraw/zinc/22/86/18/170228618.db2.gz PCLVVRBCFCKYLX-UHFFFAOYSA-N 0 0 247.653 2.003 50 0 BEAARN CCOC(=O)COc1cc(C)ccc1C ZINC000008951845 170228942 /nfs/dbraw/zinc/22/89/42/170228942.db2.gz ZEVKJPPBNRORJJ-UHFFFAOYSA-N 0 0 208.257 2.245 50 0 BEAARN CCOC(=O)COc1ccc(CC)cc1 ZINC000002549395 170229109 /nfs/dbraw/zinc/22/91/09/170229109.db2.gz CMUWQYNXOALYPI-UHFFFAOYSA-N 0 0 208.257 2.191 50 0 BEAARN CCOC(=O)COc1ccc(Cl)c(F)c1 ZINC000075880763 170229111 /nfs/dbraw/zinc/22/91/11/170229111.db2.gz SASZOIGUNZVRTQ-UHFFFAOYSA-N 0 0 232.638 2.421 50 0 BEAARN CCOC(=O)C[C@H]1COc2cc(C)ccc2N1 ZINC000021155744 170234445 /nfs/dbraw/zinc/23/44/45/170234445.db2.gz AXSCFEXDBMMQFR-JTQLQIEISA-N 0 0 235.283 2.121 50 0 BEAARN CCOC(=O)Cc1c(F)ccc(F)c1OC ZINC000261096910 170234943 /nfs/dbraw/zinc/23/49/43/170234943.db2.gz XDWXIZSMZATSON-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1c[nH]c2ccccc12 ZINC000000056627 170235049 /nfs/dbraw/zinc/23/50/49/170235049.db2.gz HUDBDWIQSIGUDI-UHFFFAOYSA-N 0 0 203.241 2.274 50 0 biogenic BEAARN CCOC(=O)Cc1ccc(Cl)c(OC)c1 ZINC000084193157 170235231 /nfs/dbraw/zinc/23/52/31/170235231.db2.gz FYHRIDNUCHIWQD-UHFFFAOYSA-N 0 0 228.675 2.454 50 0 BEAARN CCOC(=O)Cc1ccc(OC(F)F)cc1 ZINC000106148183 170236295 /nfs/dbraw/zinc/23/62/95/170236295.db2.gz JGLLZEVSQXVDFL-UHFFFAOYSA-N 0 0 230.210 2.394 50 0 BEAARN CCOC(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000010381646 170237805 /nfs/dbraw/zinc/23/78/05/170237805.db2.gz DWKAZAFUGLXSDV-UHFFFAOYSA-N 0 0 233.271 2.151 50 0 BEAARN CCOC(=O)N(C)c1ccc(NC(C)=O)cc1 ZINC000048944826 170237896 /nfs/dbraw/zinc/23/78/96/170237896.db2.gz LPVQYJBOQYGWNL-UHFFFAOYSA-N 0 0 236.271 2.238 50 0 BEAARN CCOC(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000002534336 170237965 /nfs/dbraw/zinc/23/79/65/170237965.db2.gz MMXUNPIBPOFYMN-UHFFFAOYSA-N 0 0 244.241 2.261 50 0 BEAARN CCOC(=O)NCC1(c2ccc(OC)cc2)CC1 ZINC000041569497 170241975 /nfs/dbraw/zinc/24/19/75/170241975.db2.gz NMXVIVIHWWIMRR-UHFFFAOYSA-N 0 0 249.310 2.473 50 0 BEAARN CCOC(=O)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070965715 170242452 /nfs/dbraw/zinc/24/24/52/170242452.db2.gz SICNZGUXMNVRAX-AWEZNQCLSA-N 0 0 249.310 2.030 50 0 BEAARN CCOC(=O)NC[C@@H](OC)c1ccsc1 ZINC000096097360 170242660 /nfs/dbraw/zinc/24/26/60/170242660.db2.gz BQTUIXISRGZEAL-SECBINFHSA-N 0 0 229.301 2.182 50 0 BEAARN CCOC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000070265877 170243470 /nfs/dbraw/zinc/24/34/70/170243470.db2.gz XVOLBJCYNFCTEZ-WDEREUQCSA-N 0 0 205.257 2.289 50 0 BEAARN CCOC(=O)Nc1ccsc1C(=O)OC ZINC000000369092 170243891 /nfs/dbraw/zinc/24/38/91/170243891.db2.gz KCJYKWHUIACPDK-UHFFFAOYSA-N 0 0 229.257 2.103 50 0 BEAARN CCOC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000001384558 170256715 /nfs/dbraw/zinc/25/67/15/170256715.db2.gz GCASTZGICBYQGT-GFCCVEGCSA-N 0 0 230.267 2.036 50 0 BEAARN CCOC(=O)[C@@H]1CCCO[C@@H]1C(C)C ZINC000098095755 170258651 /nfs/dbraw/zinc/25/86/51/170258651.db2.gz WVYBVCQXRFKMOW-NXEZZACHSA-N 0 0 200.278 2.001 50 0 BEAARN CCOC(=O)[C@@H]1ON=C(CC)[C@H]1c1ccccc1 ZINC000071773932 170260489 /nfs/dbraw/zinc/26/04/89/170260489.db2.gz XVAJFVZQMHAHHL-CHWSQXEVSA-N 0 0 247.294 2.498 50 0 BEAARN CCOC(=O)[C@H](C)n1nc(C)c(Cl)c1C ZINC000012399032 170270494 /nfs/dbraw/zinc/27/04/94/170270494.db2.gz OUJTYFQVVDBRPV-QMMMGPOBSA-N 0 0 230.695 2.277 50 0 BEAARN CCOC(=O)[C@H](CC(=O)c1ccccc1)C(C)=O ZINC000002033629 170270642 /nfs/dbraw/zinc/27/06/42/170270642.db2.gz YZRBASVLKZJUQM-GFCCVEGCSA-N 0 0 248.278 2.028 50 0 BEAARN CCOC(=O)[C@H](CC)Oc1ccccc1C=O ZINC000000169559 170272437 /nfs/dbraw/zinc/27/24/37/170272437.db2.gz RFGGSVBDPHSMCU-NSHDSACASA-N 0 0 236.267 2.220 50 0 BEAARN CCOC(=O)[C@H](CC)[C@@H](O)c1ccccc1 ZINC000001095281 170272611 /nfs/dbraw/zinc/27/26/11/170272611.db2.gz MCJORAPHPVJYNZ-NEPJUHHUSA-N 0 0 222.284 2.309 50 0 BEAARN CCOC(=O)[C@H](CCc1ccccc1)C(C)=O ZINC000001587605 170273063 /nfs/dbraw/zinc/27/30/63/170273063.db2.gz GPRDAMCHHGGJNX-CYBMUJFWSA-N 0 0 234.295 2.388 50 0 BEAARN CCOC(=O)[C@H]1CNc2cc(Cl)ccc2O1 ZINC000001395437 170282001 /nfs/dbraw/zinc/28/20/01/170282001.db2.gz YQUPYAAIKGIVAV-SNVBAGLBSA-N 0 0 241.674 2.076 50 0 BEAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1C=O ZINC000002534049 170286359 /nfs/dbraw/zinc/28/63/59/170286359.db2.gz IETRZXCTCCBKSO-UHFFFAOYSA-N 0 0 235.214 2.296 50 0 BEAARN CCOC(=O)c1[nH]c2ccccc2c1NC(C)=O ZINC000000325999 170286452 /nfs/dbraw/zinc/28/64/52/170286452.db2.gz YEILCRKVXIDLOP-UHFFFAOYSA-N 0 0 246.266 2.303 50 0 BEAARN CCOC(=O)c1c(C)c2c(n1C)CCCC2=O ZINC000000213119 170287766 /nfs/dbraw/zinc/28/77/66/170287766.db2.gz AISFUVKQJOHZDN-UHFFFAOYSA-N 0 0 235.283 2.029 50 0 BEAARN CCOC(=O)c1c(F)cc(F)cc1F ZINC000044200365 170288529 /nfs/dbraw/zinc/28/85/29/170288529.db2.gz KLPCRNPKTCZJIM-UHFFFAOYSA-N 0 0 204.147 2.281 50 0 BEAARN CCOC(=O)c1c(N)ssc1=S ZINC000100126331 170289386 /nfs/dbraw/zinc/28/93/86/170289386.db2.gz AJKJMMOOZCTJMG-UHFFFAOYSA-N 0 0 221.328 2.298 50 0 BEAARN CCOC(=O)c1cc(Cl)c(N)cc1OC ZINC000000147184 170292121 /nfs/dbraw/zinc/29/21/21/170292121.db2.gz ABFMKNAYGAIHHX-UHFFFAOYSA-N 0 0 229.663 2.108 50 0 BEAARN CCOC(=O)c1cc(O)ccc1Cl ZINC000021299205 170292700 /nfs/dbraw/zinc/29/27/00/170292700.db2.gz NWGGURBVGOTSEH-UHFFFAOYSA-N 0 0 200.621 2.222 50 0 BEAARN CCOC(=O)c1cc2ccncc2c(Cl)n1 ZINC000095707427 170294091 /nfs/dbraw/zinc/29/40/91/170294091.db2.gz OVAAPFCARFNISS-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1cc2nc(OCC)ccc2[nH]1 ZINC000095725463 170294755 /nfs/dbraw/zinc/29/47/55/170294755.db2.gz QHBMXBYQIXXILX-UHFFFAOYSA-N 0 0 234.255 2.138 50 0 BEAARN CCOC(=O)c1ccc(N2CCCC2)c(N)c1 ZINC000041079691 170296126 /nfs/dbraw/zinc/29/61/26/170296126.db2.gz HMKKNIXKPDYFBL-UHFFFAOYSA-N 0 0 234.299 2.046 50 0 BEAARN CCOC(=O)c1ccc(N)c(Br)c1 ZINC000001437416 170296294 /nfs/dbraw/zinc/29/62/94/170296294.db2.gz NOGUJGZZMMKQOZ-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1ccc2sc(N)nc2c1 ZINC000000337928 170298282 /nfs/dbraw/zinc/29/82/82/170298282.db2.gz IZWFFSUIWWDVNM-UHFFFAOYSA-N 0 0 222.269 2.055 50 0 BEAARN CCOC(=O)c1cccc(Oc2ncccn2)c1 ZINC000044137210 170299295 /nfs/dbraw/zinc/29/92/95/170299295.db2.gz QHVUMKMLXXXCQE-UHFFFAOYSA-N 0 0 244.250 2.446 50 0 BEAARN CCOC(=O)c1cccnc1Br ZINC000001296737 170300253 /nfs/dbraw/zinc/30/02/53/170300253.db2.gz QOFKYVXBHUEWBX-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1ccncc1Br ZINC000034477192 170300863 /nfs/dbraw/zinc/30/08/63/170300863.db2.gz KAJIRIIDTCRPKH-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1cnc2ccc(Cl)cn12 ZINC000089201906 170302722 /nfs/dbraw/zinc/30/27/22/170302722.db2.gz ARIYWSAZEIQRAW-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1cnn(C(C)(C)C)c1Cl ZINC000034160598 170303869 /nfs/dbraw/zinc/30/38/69/170303869.db2.gz UGWXIBZPXNDLSS-UHFFFAOYSA-N 0 0 230.695 2.468 50 0 BEAARN CCOC(=O)c1cnoc1-c1ccoc1 ZINC000096034575 170304353 /nfs/dbraw/zinc/30/43/53/170304353.db2.gz SITXDQDECAISCE-UHFFFAOYSA-N 0 0 207.185 2.111 50 0 BEAARN CCOC(=O)c1csc(Nc2ccccn2)n1 ZINC000004842574 170305483 /nfs/dbraw/zinc/30/54/83/170305483.db2.gz OJLOWWJZAOEGDR-UHFFFAOYSA-N 0 0 249.295 2.458 50 0 BEAARN CCOC(=O)c1csc(Nc2cccnc2)n1 ZINC000061968106 170306245 /nfs/dbraw/zinc/30/62/45/170306245.db2.gz NMQQENRWTOHNJC-UHFFFAOYSA-N 0 0 249.295 2.458 50 0 BEAARN CCOC(=O)c1nc(N)oc1-c1ccccc1 ZINC000075843775 170307095 /nfs/dbraw/zinc/30/70/95/170307095.db2.gz CUWLNGMYOINXHF-UHFFFAOYSA-N 0 0 232.239 2.101 50 0 BEAARN CCOC(=O)c1ncsc1Br ZINC000030677822 170308865 /nfs/dbraw/zinc/30/88/65/170308865.db2.gz QKZGUSXVOYLZTM-UHFFFAOYSA-N 0 0 236.090 2.082 50 0 BEAARN CCOC(=O)c1nccn1Cc1ccccc1 ZINC000032625178 170309096 /nfs/dbraw/zinc/30/90/96/170309096.db2.gz IKHCKQVOPBTOEG-UHFFFAOYSA-N 0 0 230.267 2.108 50 0 BEAARN CCOC(=O)c1nnc(-c2ccccc2C)o1 ZINC000020852171 170310177 /nfs/dbraw/zinc/31/01/77/170310177.db2.gz JDDVXYBYTLGVIG-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(=O)c1onc(-c2ccccc2)c1N ZINC000021779084 170310318 /nfs/dbraw/zinc/31/03/18/170310318.db2.gz SVHQVBAGDFDLLV-UHFFFAOYSA-N 0 0 232.239 2.101 50 0 BEAARN CCOC(=O)c1sc(=S)n(CC)c1N ZINC000000090779 170310610 /nfs/dbraw/zinc/31/06/10/170310610.db2.gz HUQLNLCBTRLVTF-UHFFFAOYSA-N 0 0 232.330 2.058 50 0 BEAARN CCOC(=O)c1sc(NC2CC2)nc1C ZINC000004294241 170310920 /nfs/dbraw/zinc/31/09/20/170310920.db2.gz XOAFRGSMEORAIV-UHFFFAOYSA-N 0 0 226.301 2.203 50 0 BEAARN CCOC(Cn1cnc2ccccc21)OCC ZINC000000572679 170316155 /nfs/dbraw/zinc/31/61/55/170316155.db2.gz QZCDTRTYNPVMPL-UHFFFAOYSA-N 0 0 234.299 2.435 50 0 BEAARN CCOCC(=O)N[C@@H]1CCC[C@@H](SCC)C1 ZINC000096451458 170346649 /nfs/dbraw/zinc/34/66/49/170346649.db2.gz PJXUJQQRCXELGP-GHMZBOCLSA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)N[C@@H]1CCC[C@H](SCC)C1 ZINC000096451446 170346685 /nfs/dbraw/zinc/34/66/85/170346685.db2.gz PJXUJQQRCXELGP-MNOVXSKESA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)N[C@H]1CCCc2ccccc21 ZINC000004659312 170347544 /nfs/dbraw/zinc/34/75/44/170347544.db2.gz AHOZVBKYRRNWPZ-ZDUSSCGKSA-N 0 0 233.311 2.217 50 0 BEAARN CCOCC(=O)O[C@H]1CCc2ccccc2C1 ZINC000071803843 170350483 /nfs/dbraw/zinc/35/04/83/170350483.db2.gz IKFGIACMTBWNRR-ZDUSSCGKSA-N 0 0 234.295 2.124 50 0 BEAARN CCOCCC(=O)NC/C=C\c1ccccc1 ZINC000096457126 170360711 /nfs/dbraw/zinc/36/07/11/170360711.db2.gz HDVMZTIHBFNRLX-TWGQIWQCSA-N 0 0 233.311 2.243 50 0 BEAARN CCOCCCNC(=O)c1ccc(Cl)o1 ZINC000040480698 170379681 /nfs/dbraw/zinc/37/96/81/170379681.db2.gz HPPCORGCKUNNSC-UHFFFAOYSA-N 0 0 231.679 2.089 50 0 BEAARN CCOCCCNC(=O)c1ccc(Cl)cc1 ZINC000002756601 170379735 /nfs/dbraw/zinc/37/97/35/170379735.db2.gz MYNQTMYGNWSOIA-UHFFFAOYSA-N 0 0 241.718 2.496 50 0 BEAARN CCOCCOc1cccc(-n2cccn2)c1 ZINC000097082541 170423335 /nfs/dbraw/zinc/42/33/35/170423335.db2.gz VPHBNXQZKHDOSR-UHFFFAOYSA-N 0 0 232.283 2.288 50 0 BEAARN CCOC[C@@H](C)Nc1cnc2c(c1)c(C)nn2C ZINC000097084900 170432951 /nfs/dbraw/zinc/43/29/51/170432951.db2.gz CMKGRVQEMKVTQU-SECBINFHSA-N 0 0 248.330 2.114 50 0 BEAARN CCONC(=O)c1cc(-c2cccs2)on1 ZINC000022875305 170468168 /nfs/dbraw/zinc/46/81/68/170468168.db2.gz QPVFCMNVIXNTPV-UHFFFAOYSA-N 0 0 238.268 2.084 50 0 BEAARN CCO[C@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000040523430 170500097 /nfs/dbraw/zinc/50/00/97/170500097.db2.gz PYCPAPAWSJBDMI-RKDXNWHRSA-N 0 0 227.329 2.350 50 0 BEAARN CCO[C@H](C)n1ccc(Br)n1 ZINC000225322826 170502890 /nfs/dbraw/zinc/50/28/90/170502890.db2.gz OHHZDAOBJWTSPX-ZCFIWIBFSA-N 0 0 219.082 2.201 50 0 BEAARN CCO[P@@]1(=O)OC(C)(C)C[C@@]1(C)O ZINC000002007423 170512754 /nfs/dbraw/zinc/51/27/54/170512754.db2.gz GTQYAZQCUFLOCL-ISVAXAHUSA-N 0 0 208.194 2.123 50 0 BEAARN CCOc1c(Cl)cc(CO)cc1OC ZINC000013007120 170514518 /nfs/dbraw/zinc/51/45/18/170514518.db2.gz KMGNRJSCXJRIMB-UHFFFAOYSA-N 0 0 216.664 2.240 50 0 BEAARN CCOc1cc(C)n(C(=S)SC)n1 ZINC000032824470 170520819 /nfs/dbraw/zinc/52/08/19/170520819.db2.gz VMVHLVVMWVCTBK-UHFFFAOYSA-N 0 0 216.331 2.086 50 0 BEAARN CCOc1cc(N2CCCC2)ccc1C=O ZINC000004999323 170525113 /nfs/dbraw/zinc/52/51/13/170525113.db2.gz LNRKGHTUBSKKLH-UHFFFAOYSA-N 0 0 219.284 2.498 50 0 BEAARN CCOc1ccc(C(=S)N(C)C)cc1 ZINC000000469384 170538986 /nfs/dbraw/zinc/53/89/86/170538986.db2.gz UAHNKQUALGWLMR-UHFFFAOYSA-N 0 0 209.314 2.322 50 0 BEAARN CCOc1ccc(I)cn1 ZINC000012359618 170548712 /nfs/dbraw/zinc/54/87/12/170548712.db2.gz AIFZXWONOPNLLM-UHFFFAOYSA-N 0 0 249.051 2.085 50 0 BEAARN CCOc1ccc(NC(C)=O)cc1OC ZINC000008883532 170551388 /nfs/dbraw/zinc/55/13/88/170551388.db2.gz HMSXBDDWOWEFCL-UHFFFAOYSA-N 0 0 209.245 2.052 50 0 BEAARN CCOc1ccc(NC(=S)N(C)C)cc1 ZINC000005841714 170551847 /nfs/dbraw/zinc/55/18/47/170551847.db2.gz BUWULXOJLGNTGU-UHFFFAOYSA-N 0 0 224.329 2.344 50 0 BEAARN CCOc1ccc([C@@H](C)NC(C)=O)cc1 ZINC000006554335 170557813 /nfs/dbraw/zinc/55/78/13/170557813.db2.gz YKDSIUMQCPPFHS-SECBINFHSA-N 0 0 207.273 2.282 50 0 BEAARN CCOc1ccc([C@@H](O)c2nccn2CC)cc1 ZINC000000237738 170560257 /nfs/dbraw/zinc/56/02/57/170560257.db2.gz VSJXGEYZWIUAJL-CYBMUJFWSA-N 0 0 246.310 2.383 50 0 BEAARN CCOc1ccccc1NC(=O)c1csnn1 ZINC000009250914 170594759 /nfs/dbraw/zinc/59/47/59/170594759.db2.gz BNYPVZZBHINFJS-UHFFFAOYSA-N 0 0 249.295 2.189 50 0 BEAARN CCS(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000000482787 170620567 /nfs/dbraw/zinc/62/05/67/170620567.db2.gz VVKGVXKRMFUWJN-UHFFFAOYSA-N 0 0 237.683 2.241 50 0 BEAARN CCSCCOc1cccc(CO)c1 ZINC000097046853 170639883 /nfs/dbraw/zinc/63/98/83/170639883.db2.gz YVRRCIVWHRQCDT-UHFFFAOYSA-N 0 0 212.314 2.311 50 0 BEAARN CCSCC[C@@H](C)NC(=O)c1cccn1C ZINC000096433090 170641797 /nfs/dbraw/zinc/64/17/97/170641797.db2.gz OHFSYEPIOWKONW-SNVBAGLBSA-N 0 0 240.372 2.287 50 0 BEAARN CCSCCn1cc(-n2cccc2)cn1 ZINC000095993915 170643932 /nfs/dbraw/zinc/64/39/32/170643932.db2.gz ZAICHNBIOVFDBW-UHFFFAOYSA-N 0 0 221.329 2.427 50 0 BEAARN CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)[O-])C1 ZINC000236881985 170649811 /nfs/dbraw/zinc/64/98/11/170649811.db2.gz FLFTZNPGKXBGCF-NXEZZACHSA-N 0 0 231.361 2.067 50 0 BEAARN CC[C@@H](C)C(=O)NCCc1sc(C)nc1C ZINC000078571251 170679813 /nfs/dbraw/zinc/67/98/13/170679813.db2.gz QFVLBEJMKVDEGF-MRVPVSSYSA-N 0 0 240.372 2.465 50 0 BEAARN CC[C@@H](C)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000170052643 170684772 /nfs/dbraw/zinc/68/47/72/170684772.db2.gz BASXXWIRFQAPST-ZCFIWIBFSA-N 0 0 249.236 2.424 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1ccccc1OC ZINC000005467677 170741180 /nfs/dbraw/zinc/74/11/80/170741180.db2.gz IABSGBGYRVCGSK-SNVBAGLBSA-N 0 0 221.300 2.152 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(OC)cc(OC)c1 ZINC000002736247 170747685 /nfs/dbraw/zinc/74/76/85/170747685.db2.gz VOSLSQFQTWAFOL-SECBINFHSA-N 0 0 237.299 2.232 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1ccccc1Cl ZINC000005120492 170755362 /nfs/dbraw/zinc/75/53/62/170755362.db2.gz YFPQQYRZAFEKFZ-MRVPVSSYSA-N 0 0 247.747 2.417 50 0 BEAARN CC[C@@H](C)[C@@H](C)C(=O)Nc1cnccc1CO ZINC000225567948 170769578 /nfs/dbraw/zinc/76/95/78/170769578.db2.gz CJQLBDQREONFEK-NXEZZACHSA-N 0 0 236.315 2.195 50 0 BEAARN CC[C@@H](COC)Nc1ccc(-n2ccnn2)cc1 ZINC000129227640 170850218 /nfs/dbraw/zinc/85/02/18/170850218.db2.gz AYJNTURPTSJHBJ-NSHDSACASA-N 0 0 246.314 2.104 50 0 BEAARN CC[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000040975087 170938089 /nfs/dbraw/zinc/93/80/89/170938089.db2.gz FLYMDKWKEGXJLA-SECBINFHSA-N 0 0 226.272 2.156 50 0 biogenic,in-vitro BEAARN CC[C@@H]1CCN1C(=O)Nc1cncc(F)c1 ZINC000296806197 171019273 /nfs/dbraw/zinc/01/92/73/171019273.db2.gz REJBJCZGTBMLHN-SNVBAGLBSA-N 0 0 223.251 2.237 50 0 BEAARN CC[C@H]1CC[C@H](C(=O)N[C@H]2CCO[C@@H]2C)CC1 ZINC000252523232 171033064 /nfs/dbraw/zinc/03/30/64/171033064.db2.gz CDBVQSYKHWIQOT-LPWJVIDDSA-N 0 0 239.359 2.496 50 0 BEAARN CC[C@@H]1N=C(c2ccccc2)SCN1 ZINC000041124482 171143160 /nfs/dbraw/zinc/14/31/60/171143160.db2.gz QQOYGYGODQFNOS-JTQLQIEISA-N 0 0 206.314 2.463 50 0 BEAARN CC[C@@](CNC(=O)C1CC1)(OC)c1ccccc1 ZINC000096123678 171193009 /nfs/dbraw/zinc/19/30/09/171193009.db2.gz MGVPUMZNSIERGT-HNNXBMFYSA-N 0 0 247.338 2.465 50 0 BEAARN CC[C@@](N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000037459608 171193818 /nfs/dbraw/zinc/19/38/18/171193818.db2.gz RDTRIOBNZFXHES-NSHDSACASA-N 0 0 227.691 2.077 50 0 BEAARN CC[C@H](C(=O)[O-])[N@@H+]1CCc2cccc(F)c2C1 ZINC000263574605 171237553 /nfs/dbraw/zinc/23/75/53/171237553.db2.gz NSZFMXWIKCPPAW-GFCCVEGCSA-N 0 0 237.274 2.047 50 0 BEAARN CC[C@H](C(C)=O)C(=O)Nc1ccccc1 ZINC000003162926 171241824 /nfs/dbraw/zinc/24/18/24/171241824.db2.gz PQSBYIQGYNIWJR-LLVKDONJSA-N 0 0 205.257 2.240 50 0 BEAARN CC[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000055276259 171252157 /nfs/dbraw/zinc/25/21/57/171252157.db2.gz JHIXCTOJMBCALG-VIFPVBQESA-N 0 0 209.264 2.488 50 0 BEAARN CC[C@H](C)C(=O)Nc1nnc(C2CC2)s1 ZINC000012734488 171256337 /nfs/dbraw/zinc/25/63/37/171256337.db2.gz MKIKWGCUHDWULN-LURJTMIESA-N 0 0 225.317 2.400 50 0 BEAARN CC[C@H](C)C(=O)Nc1nc(C)cc(C)n1 ZINC000005665608 171256695 /nfs/dbraw/zinc/25/66/95/171256695.db2.gz HXGZGRXLJLWUTE-ZETCQYMHSA-N 0 0 207.277 2.078 50 0 BEAARN CC[C@H](C)C(=O)Nc1nc(C(C)=O)cs1 ZINC000041907520 171256953 /nfs/dbraw/zinc/25/69/53/171256953.db2.gz MKOMCBPZMGLPJG-LURJTMIESA-N 0 0 226.301 2.330 50 0 BEAARN CC[C@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000046463989 171328074 /nfs/dbraw/zinc/32/80/74/171328074.db2.gz VKJJOBLEXOKIDS-VIFPVBQESA-N 0 0 209.264 2.283 50 0 BEAARN CC[C@H](C)NC(=O)Cc1cccc(OC)c1 ZINC000013008574 171328147 /nfs/dbraw/zinc/32/81/47/171328147.db2.gz NTHDDZUJEPQVCE-JTQLQIEISA-N 0 0 221.300 2.152 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(F)cc(F)c1 ZINC000013004350 171336571 /nfs/dbraw/zinc/33/65/71/171336571.db2.gz ZEBBQXRYKLHOMH-ZETCQYMHSA-N 0 0 213.227 2.493 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(N)c(C)c1 ZINC000020195092 171337088 /nfs/dbraw/zinc/33/70/88/171337088.db2.gz UZIZWARRXCEWFQ-VIFPVBQESA-N 0 0 206.289 2.106 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000000030042 171337651 /nfs/dbraw/zinc/33/76/51/171337651.db2.gz NTRYENNTPSJJFH-JTQLQIEISA-N 0 0 220.316 2.281 50 0 BEAARN CC[C@H](C)NC(=O)c1cccc2c[nH]nc21 ZINC000012977845 171337805 /nfs/dbraw/zinc/33/78/05/171337805.db2.gz NVQJKISEJRYCJK-QMMMGPOBSA-N 0 0 217.272 2.091 50 0 BEAARN CC[C@H](C)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC000075337291 171338339 /nfs/dbraw/zinc/33/83/39/171338339.db2.gz SFXVZPNGLMSQSL-BDAKNGLRSA-N 0 0 235.331 2.063 50 0 BEAARN CC[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000057536134 171338448 /nfs/dbraw/zinc/33/84/48/171338448.db2.gz ZZQHBHSRSVUXOB-NSHDSACASA-N 0 0 243.310 2.401 50 0 BEAARN CC[C@H](C)NC(=O)c1cccnc1SC ZINC000008267808 171338590 /nfs/dbraw/zinc/33/85/90/171338590.db2.gz GATYYXWOAKWESC-QMMMGPOBSA-N 0 0 224.329 2.332 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1C ZINC000003443042 171344878 /nfs/dbraw/zinc/34/48/78/171344878.db2.gz JOXNDFIMRHMELY-NSHDSACASA-N 0 0 241.356 2.380 50 0 BEAARN CC[C@H](C)OCC(=O)N1CCSCC[C@@H]1C ZINC000170090492 171352132 /nfs/dbraw/zinc/35/21/32/171352132.db2.gz AAHKQOLETJPKNM-QWRGUYRKSA-N 0 0 245.388 2.156 50 0 BEAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC000002391128 171398543 /nfs/dbraw/zinc/39/85/43/171398543.db2.gz KLRYBAAAYDFIEQ-IUCAKERBSA-N 0 0 245.319 2.099 50 0 BEAARN CC[C@H](C)[C@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000001726740 171399683 /nfs/dbraw/zinc/39/96/83/171399683.db2.gz GPAVORZIWQTJJQ-JQWIXIFHSA-N 0 0 221.300 2.276 50 0 BEAARN CC[C@H](CO)NC(=S)Nc1ccccc1C ZINC000000141839 171451402 /nfs/dbraw/zinc/45/14/02/171451402.db2.gz IBZQFPVECCBLOJ-SNVBAGLBSA-N 0 0 238.356 2.052 50 0 BEAARN CC[C@H](NC(=O)CCC(=O)OC)c1ccccc1 ZINC000036562630 171496617 /nfs/dbraw/zinc/49/66/17/171496617.db2.gz OPBWCBBFIJFRKO-LBPRGKRZSA-N 0 0 249.310 2.207 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1cccnc1OC ZINC000032755112 171606299 /nfs/dbraw/zinc/60/62/99/171606299.db2.gz XJQFFKRGGQZTPL-NSHDSACASA-N 0 0 248.326 2.495 50 0 BEAARN CCc1ccc(C2N=NC(=S)N2)cc1 ZINC000006496983 171780010 /nfs/dbraw/zinc/78/00/10/171780010.db2.gz MQZUQQWBBMVHFY-UHFFFAOYSA-N 0 0 205.286 2.323 50 0 BEAARN CCc1ccc(C(=O)N2CCCCC2)o1 ZINC000040510955 171784276 /nfs/dbraw/zinc/78/42/76/171784276.db2.gz OJBIFLGIVWFAQX-UHFFFAOYSA-N 0 0 207.273 2.468 50 0 BEAARN CCc1cccc(N[C@@H]2CCCCNC2=O)c1 ZINC000012545641 171863881 /nfs/dbraw/zinc/86/38/81/171863881.db2.gz OPZOYFWVRBHYHZ-CYBMUJFWSA-N 0 0 232.327 2.330 50 0 BEAARN CCc1csc(-c2cccc(C(N)=O)c2)n1 ZINC000071921682 171929213 /nfs/dbraw/zinc/92/92/13/171929213.db2.gz JUSWIPFRKFAYGR-UHFFFAOYSA-N 0 0 232.308 2.471 50 0 BEAARN CCc1nc2ccc(C(=O)OC)cc2o1 ZINC000042784447 172012048 /nfs/dbraw/zinc/01/20/48/172012048.db2.gz ZXTHAWXDCNDYFT-UHFFFAOYSA-N 0 0 205.213 2.177 50 0 BEAARN CCc1nnc(CN(C#N)c2ccc(F)cc2)o1 ZINC000240897308 172047143 /nfs/dbraw/zinc/04/71/43/172047143.db2.gz ISBNFFYYQZUTQF-UHFFFAOYSA-N 0 0 246.245 2.259 50 0 BEAARN CCc1nnc(C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000054114974 172049730 /nfs/dbraw/zinc/04/97/30/172049730.db2.gz GLHJWFFFELRAHW-AOOOYVTPSA-N 0 0 223.320 2.110 50 0 BEAARN CCc1nnc(CSc2ccccn2)o1 ZINC000054148908 172055253 /nfs/dbraw/zinc/05/52/53/172055253.db2.gz NIHABFKLXNVYEH-UHFFFAOYSA-N 0 0 221.285 2.319 50 0 BEAARN CCc1nnc(NC(=O)[C@H](C)CC)s1 ZINC000000364506 172059459 /nfs/dbraw/zinc/05/94/59/172059459.db2.gz WVDHUZKDNGADJF-ZCFIWIBFSA-N 0 0 213.306 2.085 50 0 BEAARN CCc1nnc2c3ccccc3nc(Cl)n12 ZINC000009879779 172066988 /nfs/dbraw/zinc/06/69/88/172066988.db2.gz BISXEAQFKWLUDZ-UHFFFAOYSA-N 0 0 232.674 2.493 50 0 BEAARN CCc1nnc2ccc(NC3CCCC3)nn21 ZINC000032094520 172067724 /nfs/dbraw/zinc/06/77/24/172067724.db2.gz NOBOUUGYVLUGJG-UHFFFAOYSA-N 0 0 231.303 2.041 50 0 BEAARN CCc1nnc2sc(Cc3ccccc3)nn12 ZINC000004487477 172069037 /nfs/dbraw/zinc/06/90/37/172069037.db2.gz GSODSNNHCIMFDY-UHFFFAOYSA-N 0 0 244.323 2.339 50 0 BEAARN CCc1nnsc1C(=O)Nc1ccccc1 ZINC000008060259 172070928 /nfs/dbraw/zinc/07/09/28/172070928.db2.gz WIXLJGQAYZZTFN-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN CCc1noc(CN(C)[C@@H](C)CC(C)C)n1 ZINC000069419911 172083712 /nfs/dbraw/zinc/08/37/12/172083712.db2.gz NKVXTZJUPHYACE-JTQLQIEISA-N 0 0 225.336 2.498 50 0 BEAARN CCc1noc(CS[C@H]2CCO[C@H]2C)n1 ZINC000095974160 172084374 /nfs/dbraw/zinc/08/43/74/172084374.db2.gz QVMDBWSPKSHBER-YUMQZZPRSA-N 0 0 228.317 2.043 50 0 BEAARN CCc1noc(C[S@](=O)CC2CCCC2)n1 ZINC000097033787 172085138 /nfs/dbraw/zinc/08/51/38/172085138.db2.gz VGKIUPZHPFLFRM-INIZCTEOSA-N 0 0 242.344 2.071 50 0 BEAARN CCc1noc(COc2ccc(C(C)=O)cc2)n1 ZINC000020253785 172085301 /nfs/dbraw/zinc/08/53/01/172085301.db2.gz JYUIOQJHTDTNRP-UHFFFAOYSA-N 0 0 246.266 2.414 50 0 BEAARN CCc1nsc(N2CCC3(CCC3)C2)n1 ZINC000170662143 172102962 /nfs/dbraw/zinc/10/29/62/172102962.db2.gz PQZUQWQVBBWSLO-UHFFFAOYSA-N 0 0 223.345 2.481 50 0 BEAARN CCc1oc(C(=O)N2CCCC2)cc1C ZINC000089280260 172109699 /nfs/dbraw/zinc/10/96/99/172109699.db2.gz VJFHQFHSSFYGKS-UHFFFAOYSA-N 0 0 207.273 2.386 50 0 BEAARN CCc1oc(C(=O)N[C@@H](C)c2ncon2)cc1C ZINC000097047474 172111754 /nfs/dbraw/zinc/11/17/54/172111754.db2.gz HDZAYMMOSYXUME-QMMMGPOBSA-N 0 0 249.270 2.024 50 0 BEAARN CCn1c(SC)nnc1-c1ccc(N)cc1 ZINC000000462902 172147843 /nfs/dbraw/zinc/14/78/43/172147843.db2.gz SXEBEOPTKXBHSP-UHFFFAOYSA-N 0 0 234.328 2.269 50 0 BEAARN CCn1cc(C(=O)NCCOC)c2ccccc21 ZINC000044873564 172154279 /nfs/dbraw/zinc/15/42/79/172154279.db2.gz RHZKLXKQYFTOEV-UHFFFAOYSA-N 0 0 246.310 2.037 50 0 BEAARN CCn1cc(CNC(=O)C2CCCCC2)c(C)n1 ZINC000002761345 172166761 /nfs/dbraw/zinc/16/67/61/172166761.db2.gz LVFRSSHWJONWOH-UHFFFAOYSA-N 0 0 249.358 2.408 50 0 BEAARN CCn1cc(CNc2onc(C)c2C)cn1 ZINC000225429742 172177505 /nfs/dbraw/zinc/17/75/05/172177505.db2.gz XBIHKAQXNQOTGL-UHFFFAOYSA-N 0 0 220.276 2.120 50 0 BEAARN CCn1cc(NC(=O)C2CCCC2)cn1 ZINC000058393643 172179247 /nfs/dbraw/zinc/17/92/47/172179247.db2.gz GXDSBWMCMQHCOL-UHFFFAOYSA-N 0 0 207.277 2.032 50 0 BEAARN CCn1cc(NC(=O)NC)c2ccccc21 ZINC000005265976 172180890 /nfs/dbraw/zinc/18/08/90/172180890.db2.gz VYNJFCZJNXAEGJ-UHFFFAOYSA-N 0 0 217.272 2.413 50 0 BEAARN CCn1cc(NC(=O)c2ccoc2C)cn1 ZINC000058379826 172184037 /nfs/dbraw/zinc/18/40/37/172184037.db2.gz RUYZTKJOEATLKU-UHFFFAOYSA-N 0 0 219.244 2.057 50 0 BEAARN CCn1cc(OCC[C@H]2CCCCO2)cn1 ZINC000225710821 172191343 /nfs/dbraw/zinc/19/13/43/172191343.db2.gz XSASSZMVHXBUQW-LLVKDONJSA-N 0 0 224.304 2.241 50 0 BEAARN CCn1cnc2c(oc3nc(C)cc(C)c32)c1=O ZINC000032124503 172231700 /nfs/dbraw/zinc/23/17/00/172231700.db2.gz ZLBWXTMCJDRWEN-UHFFFAOYSA-N 0 0 243.266 2.174 50 0 biogenic BEAARN CCn1cnc2ccc(Cl)cc2c1=O ZINC000016671364 172233040 /nfs/dbraw/zinc/23/30/40/172233040.db2.gz DOTVUUHNLAZGDL-UHFFFAOYSA-N 0 0 208.648 2.070 50 0 BEAARN CCn1nc(C)c2ncnc(NCC(C)C)c21 ZINC000057280119 172249497 /nfs/dbraw/zinc/24/94/97/172249497.db2.gz AGZKAJLHXQIJHL-UHFFFAOYSA-N 0 0 233.319 2.223 50 0 BEAARN CCn1nccc1CNC(=O)C1CCCCC1 ZINC000028219538 172269471 /nfs/dbraw/zinc/26/94/71/172269471.db2.gz HQYMLJOBOLQRQT-UHFFFAOYSA-N 0 0 235.331 2.100 50 0 BEAARN CCn1nccc1NC(=O)c1cccc(C)c1 ZINC000012062762 172277567 /nfs/dbraw/zinc/27/75/67/172277567.db2.gz GNCNMRKODMBKKC-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CCn1ncnc1-c1nc[nH]c1-c1ccccc1 ZINC000065427581 172278834 /nfs/dbraw/zinc/27/88/34/172278834.db2.gz JAWVDPZEVOUGNS-UHFFFAOYSA-N 0 0 239.282 2.355 50 0 BEAARN CN(C(=O)C(C)(C)C)c1ccc(O)cc1 ZINC000020210504 172295201 /nfs/dbraw/zinc/29/52/01/172295201.db2.gz PVSJOQDMFAIKNQ-UHFFFAOYSA-N 0 0 207.273 2.401 50 0 BEAARN CN(C(=O)n1ccnc1)[C@H]1CCc2ccccc21 ZINC000032779445 172348406 /nfs/dbraw/zinc/34/84/06/172348406.db2.gz ORAJYHYOCZDAOF-ZDUSSCGKSA-N 0 0 241.294 2.471 50 0 BEAARN CN(C)C(=O)/C=C/c1ccccc1Cl ZINC000000579367 172353047 /nfs/dbraw/zinc/35/30/47/172353047.db2.gz WUDQKPBFPJQEPX-BQYQJAHWSA-N 0 0 209.676 2.441 50 0 BEAARN CN(C)C(=O)COc1cc(Cl)ccc1Cl ZINC000040456745 172373302 /nfs/dbraw/zinc/37/33/02/172373302.db2.gz CKODMGPFEJSZFS-UHFFFAOYSA-N 0 0 248.109 2.460 50 0 BEAARN CN(C)C(=O)Cc1ccc(F)cc1Cl ZINC000133700998 172375377 /nfs/dbraw/zinc/37/53/77/172375377.db2.gz HWFMJFFAEQGGHS-UHFFFAOYSA-N 0 0 215.655 2.110 50 0 BEAARN CN(C)C(=O)Oc1cccc2cccnc21 ZINC000000152090 172382796 /nfs/dbraw/zinc/38/27/96/172382796.db2.gz VCSGVHPHQVIBAP-UHFFFAOYSA-N 0 0 216.240 2.295 50 0 BEAARN CN(C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044976610 172385116 /nfs/dbraw/zinc/38/51/16/172385116.db2.gz MVRNCZJEDAJLJR-HTQZYQBOSA-N 0 0 223.238 2.443 50 0 BEAARN CN(C)C(=O)c1ccc(-c2ccc(N)nc2)cc1 ZINC000085476796 172388509 /nfs/dbraw/zinc/38/85/09/172388509.db2.gz RGZQEPYIXAAMKP-UHFFFAOYSA-N 0 0 241.294 2.033 50 0 BEAARN CN(C)C(=O)c1cccc(Br)c1F ZINC000113171488 172391098 /nfs/dbraw/zinc/39/10/98/172391098.db2.gz KMXQAZGXBJULSK-UHFFFAOYSA-N 0 0 246.079 2.290 50 0 BEAARN CN(C)C(=O)c1cccc(-c2ccc(N)nc2)c1 ZINC000085476802 172391383 /nfs/dbraw/zinc/39/13/83/172391383.db2.gz NXMUWEOJLSQVPD-UHFFFAOYSA-N 0 0 241.294 2.033 50 0 BEAARN CN(C[C@@H]1CCOC1)c1ncnc2sccc21 ZINC000267255057 172819277 /nfs/dbraw/zinc/81/92/77/172819277.db2.gz VEUMWGCEHXVDGE-VIFPVBQESA-N 0 0 249.339 2.164 50 0 BEAARN CN(Cc1ccc(F)cc1)C(=O)c1ccncc1 ZINC000040159664 172853003 /nfs/dbraw/zinc/85/30/03/172853003.db2.gz OYSYOFMFAMJVHK-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN CN1C(=O)Oc2ccc3ccccc3c2[C@@H]1O ZINC000039254275 172970946 /nfs/dbraw/zinc/97/09/46/172970946.db2.gz XMYLVCSYYXIJCV-LBPRGKRZSA-N 0 0 229.235 2.275 50 0 BEAARN CN1CCC(=O)Nc2cc(Cl)ccc21 ZINC000071372553 172979808 /nfs/dbraw/zinc/97/98/08/172979808.db2.gz ANMZLKNIENHOLV-UHFFFAOYSA-N 0 0 210.664 2.118 50 0 BEAARN CN1CC[C@H](SC2=Nc3ccccc3C2)C1=O ZINC000097212599 173156346 /nfs/dbraw/zinc/15/63/46/173156346.db2.gz ZIEQGAXNTTYICD-NSHDSACASA-N 0 0 246.335 2.237 50 0 BEAARN CN1Cc2cc(Br)ccc2C1=O ZINC000045328696 173200512 /nfs/dbraw/zinc/20/05/12/173200512.db2.gz WRFZBWHXIGUNLQ-UHFFFAOYSA-N 0 0 226.073 2.035 50 0 BEAARN CN1NC2(CCC(C(C)(C)C)CC2)NC1=S ZINC000225348723 173204103 /nfs/dbraw/zinc/20/41/03/173204103.db2.gz AIEDRPWLPDYQNW-UHFFFAOYSA-N 0 0 241.404 2.244 50 0 BEAARN CN1O[C@@H]2CCCC(=O)[C@@H]2[C@@H]1c1ccccc1 ZINC000013397215 173205137 /nfs/dbraw/zinc/20/51/37/173205137.db2.gz FFOMFRWPMNYVMA-RDBSUJKOSA-N 0 0 231.295 2.343 50 0 BEAARN CN1c2ccccc2CNc2cncnc21 ZINC000000005251 173208890 /nfs/dbraw/zinc/20/88/90/173208890.db2.gz AVOBFRIKWSODCW-UHFFFAOYSA-N 0 0 212.256 2.170 50 0 BEAARN CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000069452424 173210565 /nfs/dbraw/zinc/21/05/65/173210565.db2.gz BOTHIUZXNHVIOG-WUQHTFKHSA-N 0 0 205.257 2.162 50 0 BEAARN CNC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000018085624 173212782 /nfs/dbraw/zinc/21/27/82/173212782.db2.gz YDSKPJFCHXBLLX-XFXZXTDPSA-N 0 0 230.311 2.044 50 0 BEAARN CNC(=O)C1(c2ccccc2Cl)CC1 ZINC000064554904 173222239 /nfs/dbraw/zinc/22/22/39/173222239.db2.gz NTNYREGGCKEMFU-UHFFFAOYSA-N 0 0 209.676 2.118 50 0 BEAARN CNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000057792330 173262863 /nfs/dbraw/zinc/26/28/63/173262863.db2.gz HZFGVRIGRCFKJH-WCBMZHEXSA-N 0 0 207.273 2.082 50 0 BEAARN CNC(=O)CSc1cc(C)ccc1C ZINC000012927453 173279995 /nfs/dbraw/zinc/27/99/95/173279995.db2.gz UOLYVYSADZMMRT-UHFFFAOYSA-N 0 0 209.314 2.142 50 0 BEAARN CNC(=O)CSc1nc2cc(C)c(C)cc2[nH]1 ZINC000002862477 173280336 /nfs/dbraw/zinc/28/03/36/173280336.db2.gz PNWRQYOVPBPGEH-UHFFFAOYSA-N 0 0 249.339 2.018 50 0 BEAARN CNC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000048645221 173284950 /nfs/dbraw/zinc/28/49/50/173284950.db2.gz DMSYDHDVMPURTN-LLVKDONJSA-N 0 0 244.298 2.039 50 0 BEAARN CNC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000089791405 173292489 /nfs/dbraw/zinc/29/24/89/173292489.db2.gz KBPQTUULSOLHLR-GFCCVEGCSA-N 0 0 238.306 2.322 50 0 BEAARN CNC(=O)Nc1cn(CCOC)c2ccccc12 ZINC000005266316 173293289 /nfs/dbraw/zinc/29/32/89/173293289.db2.gz BLHJPXWLZCATMT-UHFFFAOYSA-N 0 0 247.298 2.039 50 0 BEAARN CNC(=O)OCC(C)(C)[C@@H](O)c1ccccc1 ZINC000003122374 173293429 /nfs/dbraw/zinc/29/34/29/173293429.db2.gz ULOVRPUPUUDMIX-NSHDSACASA-N 0 0 237.299 2.102 50 0 BEAARN CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000032675622 173296210 /nfs/dbraw/zinc/29/62/10/173296210.db2.gz UCKLXZPQYQLTLV-SNVBAGLBSA-N 0 0 235.327 2.497 50 0 BEAARN CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151056680 173300304 /nfs/dbraw/zinc/30/03/04/173300304.db2.gz FSWXJGSBQVQXSL-RNFRBKRXSA-N 0 0 227.666 2.329 50 0 BEAARN CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000032675627 173304266 /nfs/dbraw/zinc/30/42/66/173304266.db2.gz UCKLXZPQYQLTLV-JTQLQIEISA-N 0 0 235.327 2.497 50 0 BEAARN CNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000046455035 173309329 /nfs/dbraw/zinc/30/93/29/173309329.db2.gz XLZSGNKZOWWWJD-UHFFFAOYSA-N 0 0 235.674 2.090 50 0 BEAARN CNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1 ZINC000001392491 173309369 /nfs/dbraw/zinc/30/93/69/173309369.db2.gz XBBGBDXUTAKEMG-UHFFFAOYSA-N 0 0 249.701 2.194 50 0 BEAARN CNC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000009227024 173310149 /nfs/dbraw/zinc/31/01/49/173310149.db2.gz QMCOPDWHWYSJSA-UHFFFAOYSA-N 0 0 225.251 2.076 50 0 in-vitro BEAARN CNC(=O)c1ccc(-c2ccccc2)n1C ZINC000098013511 173310202 /nfs/dbraw/zinc/31/02/02/173310202.db2.gz HYQREEIUACGNCU-UHFFFAOYSA-N 0 0 214.268 2.052 50 0 BEAARN CNC(=O)c1ccc(OC)c(-c2cccnc2)c1 ZINC000032581037 173311170 /nfs/dbraw/zinc/31/11/70/173311170.db2.gz VSQXLLJPZVZXCG-UHFFFAOYSA-N 0 0 242.278 2.117 50 0 BEAARN CNC(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000065340047 173311407 /nfs/dbraw/zinc/31/14/07/173311407.db2.gz PDBNFODZMCQSQY-UHFFFAOYSA-N 0 0 227.263 2.419 50 0 BEAARN CNC(=O)c1cccc(NC(=O)CC(C)C)c1 ZINC000015480080 173311718 /nfs/dbraw/zinc/31/17/18/173311718.db2.gz LXWMIGCUFZRMLX-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN CNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000013630595 173311797 /nfs/dbraw/zinc/31/17/97/173311797.db2.gz HOIMECLLNMOKDA-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN CNC(=O)c1occc1COc1ccccc1 ZINC000011151182 173315351 /nfs/dbraw/zinc/31/53/51/173315351.db2.gz LYQQTMBMJGNEGL-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN CNC(=O)n1cc(C)c(-c2ccccc2)n1 ZINC000000141227 173316270 /nfs/dbraw/zinc/31/62/70/173316270.db2.gz OPWFYNSXADIMHK-UHFFFAOYSA-N 0 0 215.256 2.046 50 0 BEAARN CN[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000037658180 173427397 /nfs/dbraw/zinc/42/73/97/173427397.db2.gz USFVRQPENBTQNL-NSHDSACASA-N 0 0 233.702 2.439 50 0 BEAARN COC(=O)CCc1cn(C)c2ccccc12 ZINC000034122751 173568483 /nfs/dbraw/zinc/56/84/83/173568483.db2.gz RAKFIKINPGETBX-UHFFFAOYSA-N 0 0 217.268 2.284 50 0 BEAARN COC(=O)CNc1cccc2ccccc21 ZINC000020039306 173609982 /nfs/dbraw/zinc/60/99/82/173609982.db2.gz XZPCEHZALHRIPB-UHFFFAOYSA-N 0 0 215.252 2.425 50 0 BEAARN COC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000095932314 173641901 /nfs/dbraw/zinc/64/19/01/173641901.db2.gz NBVMOXKFIQXFSL-UHFFFAOYSA-N 0 0 234.173 2.301 50 0 BEAARN COC(=O)[C@@]1(C)CCc2cc(OC)ccc2C1=O ZINC000000384044 173759628 /nfs/dbraw/zinc/75/96/28/173759628.db2.gz FOZAWFOWYOKRCG-AWEZNQCLSA-N 0 0 248.278 2.003 50 0 BEAARN COC(=O)c1c(Cl)ccc(N)c1Cl ZINC000062350389 173843560 /nfs/dbraw/zinc/84/35/60/173843560.db2.gz MWUILUHXIZFRLD-UHFFFAOYSA-N 0 0 220.055 2.362 50 0 BEAARN COC(=O)c1cc(-c2ccsc2)no1 ZINC000000266347 173848104 /nfs/dbraw/zinc/84/81/04/173848104.db2.gz YPEBTOSSMPTRRH-UHFFFAOYSA-N 0 0 209.226 2.190 50 0 BEAARN COC(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000003633950 173848145 /nfs/dbraw/zinc/84/81/45/173848145.db2.gz BUYQDAXEBRVQAB-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 BEAARN COC(=O)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000002573981 173849409 /nfs/dbraw/zinc/84/94/09/173849409.db2.gz QADCAYSHKOBAAQ-UHFFFAOYSA-N 0 0 238.626 2.233 50 0 BEAARN COC(=O)c1cc(Cl)ncc1Cl ZINC000014007560 173858165 /nfs/dbraw/zinc/85/81/65/173858165.db2.gz OJTXNNHRMCEWAM-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN COC(=O)c1cc(NC2CCOCC2)ccc1C ZINC000097048922 173861227 /nfs/dbraw/zinc/86/12/27/173861227.db2.gz KMQWZUGSUXFJAT-UHFFFAOYSA-N 0 0 249.310 2.373 50 0 BEAARN COC(=O)c1ccc(C(=O)N2CCCCC2)cc1 ZINC000000341571 173869080 /nfs/dbraw/zinc/86/90/80/173869080.db2.gz BOSRYDBLXGYLSE-UHFFFAOYSA-N 0 0 247.294 2.099 50 0 BEAARN COC(=O)c1ccc2c(c1)nc1n2CC[C@@H](C)C1 ZINC000032918727 173889695 /nfs/dbraw/zinc/88/96/95/173889695.db2.gz BWCMLFDWTHYEGQ-SECBINFHSA-N 0 0 244.294 2.405 50 0 BEAARN COC(=O)c1ccc2c(c1)ncnc2NC(C)C ZINC000061997401 173889852 /nfs/dbraw/zinc/88/98/52/173889852.db2.gz VMFNBAWEUQCSFP-UHFFFAOYSA-N 0 0 245.282 2.237 50 0 BEAARN COC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000072555704 173896935 /nfs/dbraw/zinc/89/69/35/173896935.db2.gz WMXRSNBNEYCTMG-GFCCVEGCSA-N 0 0 236.267 2.031 50 0 BEAARN COC(=O)c1cccc2oc(Cl)nc21 ZINC000071791839 173898626 /nfs/dbraw/zinc/89/86/26/173898626.db2.gz QXOMDXKTDOJUPP-UHFFFAOYSA-N 0 0 211.604 2.268 50 0 BEAARN COC(=O)c1cn(C(=O)OC)c2ccccc12 ZINC000000192385 173904116 /nfs/dbraw/zinc/90/41/16/173904116.db2.gz REWBPNPSPSCWLS-UHFFFAOYSA-N 0 0 233.223 2.042 50 0 BEAARN COC(=O)c1c[nH]nc1-c1ccc(C)cc1 ZINC000008700043 173905401 /nfs/dbraw/zinc/90/54/01/173905401.db2.gz QFJFTEZGHXIRDU-UHFFFAOYSA-N 0 0 216.240 2.172 50 0 BEAARN COC(=O)c1cncc(-c2ccc(C=O)cc2)c1 ZINC000016946669 173907689 /nfs/dbraw/zinc/90/76/89/173907689.db2.gz UMGIZNVMJSDMCZ-UHFFFAOYSA-N 0 0 241.246 2.348 50 0 BEAARN COC(=O)c1noc(C)c1C(=O)c1ccccc1 ZINC000047844212 173919220 /nfs/dbraw/zinc/91/92/20/173919220.db2.gz SWXYJRINEROENV-UHFFFAOYSA-N 0 0 245.234 2.001 50 0 BEAARN COC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000026896278 174026643 /nfs/dbraw/zinc/02/66/43/174026643.db2.gz WATASAJREKAPOT-UHFFFAOYSA-N 0 0 215.293 2.032 50 0 BEAARN COC1CN(c2ccc(NC(=O)C(C)C)cc2)C1 ZINC000253401203 174036443 /nfs/dbraw/zinc/03/64/43/174036443.db2.gz MPRGKCHXVQQUOO-UHFFFAOYSA-N 0 0 248.326 2.116 50 0 BEAARN COCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000045603180 174038888 /nfs/dbraw/zinc/03/88/88/174038888.db2.gz JWNQEEKNIJTJCK-UHFFFAOYSA-N 0 0 233.720 2.006 50 0 BEAARN COCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000070245122 174053789 /nfs/dbraw/zinc/05/37/89/174053789.db2.gz JHUMVLCDESMHEX-NSHDSACASA-N 0 0 247.338 2.389 50 0 BEAARN COCC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000040509376 174054487 /nfs/dbraw/zinc/05/44/87/174054487.db2.gz MQWXGTJLAMCSJF-QMMMGPOBSA-N 0 0 227.329 2.189 50 0 BEAARN COCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000036405547 174056280 /nfs/dbraw/zinc/05/62/80/174056280.db2.gz FMLWJGRHNGEWOI-MRVPVSSYSA-N 0 0 227.691 2.164 50 0 BEAARN COCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000000363475 174060730 /nfs/dbraw/zinc/06/07/30/174060730.db2.gz JLUTZYYSFNIMIN-UHFFFAOYSA-N 0 0 236.296 2.190 50 0 BEAARN COCC(=O)Nc1ccccc1CSC ZINC000095940172 174060830 /nfs/dbraw/zinc/06/08/30/174060830.db2.gz HVRLTFQJDURUAG-UHFFFAOYSA-N 0 0 225.313 2.135 50 0 BEAARN COCC(C)(C)NC(=O)Nc1ccccc1 ZINC000084326254 174081275 /nfs/dbraw/zinc/08/12/75/174081275.db2.gz MLHNYGWCDXFWKK-UHFFFAOYSA-N 0 0 222.288 2.233 50 0 BEAARN COCC1(C(=O)NCc2cccc(C)c2C)CC1 ZINC000097347187 174088499 /nfs/dbraw/zinc/08/84/99/174088499.db2.gz UAMLKCRZJALUKP-UHFFFAOYSA-N 0 0 247.338 2.346 50 0 BEAARN COCCC(=O)N1CCc2ccccc2[C@H]1C ZINC000065293098 174126862 /nfs/dbraw/zinc/12/68/62/174126862.db2.gz MQIDRIHLKUUBMG-LLVKDONJSA-N 0 0 233.311 2.169 50 0 BEAARN COCCCCn1ccc2sccc2c1=O ZINC000096500107 174210306 /nfs/dbraw/zinc/21/03/06/174210306.db2.gz ZGWYIXAJDUFBOR-UHFFFAOYSA-N 0 0 237.324 2.490 50 0 BEAARN COCCCNC(=O)Cc1ccc(Cl)cc1 ZINC000002867931 174240461 /nfs/dbraw/zinc/24/04/61/174240461.db2.gz HYDCSUMJRBEEJB-UHFFFAOYSA-N 0 0 241.718 2.035 50 0 BEAARN COCCCNC(=O)Nc1ccc(F)cc1C ZINC000040526614 174242857 /nfs/dbraw/zinc/24/28/57/174242857.db2.gz XCJLPXCNEJASML-UHFFFAOYSA-N 0 0 240.278 2.292 50 0 BEAARN COCCCNC(=O)c1ccc(C)cc1Cl ZINC000002874300 174244913 /nfs/dbraw/zinc/24/49/13/174244913.db2.gz XMJFANWMTVFQFL-UHFFFAOYSA-N 0 0 241.718 2.415 50 0 BEAARN COCCCNC(=O)c1cc2ccccc2o1 ZINC000003420049 174245017 /nfs/dbraw/zinc/24/50/17/174245017.db2.gz GARHXHFHJXVEGR-UHFFFAOYSA-N 0 0 233.267 2.199 50 0 BEAARN COCCCNC(=O)c1ccc(Cl)s1 ZINC000033023965 174245390 /nfs/dbraw/zinc/24/53/90/174245390.db2.gz IFPGZWAFCGKSPU-UHFFFAOYSA-N 0 0 233.720 2.168 50 0 BEAARN COCCCNC(=O)c1ccc(C)c(C)c1 ZINC000005546709 174245392 /nfs/dbraw/zinc/24/53/92/174245392.db2.gz SBUSHEQMPSLGEJ-UHFFFAOYSA-N 0 0 221.300 2.070 50 0 BEAARN COCCCNC(=S)Nc1cccc(F)c1 ZINC000002905692 174246047 /nfs/dbraw/zinc/24/60/47/174246047.db2.gz RIXGSQSNEMSHAW-UHFFFAOYSA-N 0 0 242.319 2.149 50 0 BEAARN COCCCNc1ncccc1OC(F)F ZINC000095467671 174252942 /nfs/dbraw/zinc/25/29/42/174252942.db2.gz AFRIINCKGMQNQY-UHFFFAOYSA-N 0 0 232.230 2.131 50 0 BEAARN COCCNC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000032193286 174319561 /nfs/dbraw/zinc/31/95/61/174319561.db2.gz AVYPWRJOVBGKBG-QQHVKIJGSA-N 0 0 249.310 2.179 50 0 BEAARN COCCNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC000048167456 174319751 /nfs/dbraw/zinc/31/97/51/174319751.db2.gz AQMSUWSNQJYXQQ-UHFFFAOYSA-N 0 0 247.338 2.098 50 0 BEAARN COCCNC(=O)c1c(Cl)cccc1Cl ZINC000002931632 174327418 /nfs/dbraw/zinc/32/74/18/174327418.db2.gz CKPJDZUVNXHVRO-UHFFFAOYSA-N 0 0 248.109 2.370 50 0 BEAARN COCCNc1ncnc2c3ccccc3oc21 ZINC000003166472 174342973 /nfs/dbraw/zinc/34/29/73/174342973.db2.gz UMBFPLXKEAKSPD-UHFFFAOYSA-N 0 0 243.266 2.434 50 0 BEAARN COCCOC(=O)Nc1cc(C)ccc1C ZINC000002172095 174343866 /nfs/dbraw/zinc/34/38/66/174343866.db2.gz LFVXBQSKQCBFDM-UHFFFAOYSA-N 0 0 223.272 2.498 50 0 BEAARN COCCSCC(=O)Nc1ccccc1 ZINC000045024674 174373986 /nfs/dbraw/zinc/37/39/86/174373986.db2.gz SMKJCMJPGTTZJO-UHFFFAOYSA-N 0 0 225.313 2.005 50 0 BEAARN COCCSCC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000040508871 174374033 /nfs/dbraw/zinc/37/40/33/174374033.db2.gz LKFPSBHBQCEICC-QWRGUYRKSA-N 0 0 245.388 2.061 50 0 BEAARN COC[C@H](C)NC(=O)CCC1CCCCC1 ZINC000002734741 174542056 /nfs/dbraw/zinc/54/20/56/174542056.db2.gz TYPMICUIGHZVGN-NSHDSACASA-N 0 0 227.348 2.498 50 0 BEAARN COC[C@H](C)NC(=O)Nc1cccc(Cl)c1 ZINC000018177922 174545282 /nfs/dbraw/zinc/54/52/82/174545282.db2.gz HSNAMDNCUGKZRX-QMMMGPOBSA-N 0 0 242.706 2.496 50 0 BEAARN COC[C@H](C)OC(=O)c1ccc(C(C)=O)cc1 ZINC000097084226 174553549 /nfs/dbraw/zinc/55/35/49/174553549.db2.gz GXQNAOPEQZTAKW-VIFPVBQESA-N 0 0 236.267 2.081 50 0 BEAARN COCC1N=NC(=S)N1Cc1ccc(C)cc1 ZINC000006788335 174647393 /nfs/dbraw/zinc/64/73/93/174647393.db2.gz JRPHIHNJIUBYGQ-UHFFFAOYSA-N 0 0 249.339 2.070 50 0 BEAARN CONC(=O)Cc1c(C)nc2ccccc2c1C ZINC000032848425 174663808 /nfs/dbraw/zinc/66/38/08/174663808.db2.gz YKAIRXVZJYSXIK-UHFFFAOYSA-N 0 0 244.294 2.072 50 0 BEAARN CO[C@H](C(=O)Nc1nccs1)c1ccccc1 ZINC000022017672 174802632 /nfs/dbraw/zinc/80/26/32/174802632.db2.gz RUOHRUCPPLYRBA-JTQLQIEISA-N 0 0 248.307 2.469 50 0 BEAARN CO[C@H](C)[C@H](C)NC(=O)NC1CCC(C)CC1 ZINC000225525277 174846904 /nfs/dbraw/zinc/84/69/04/174846904.db2.gz XJBSPTCROHMMSI-LVFLEHKBSA-N 0 0 242.363 2.288 50 0 BEAARN CO[C@H](C)c1noc(COc2cccnc2C)n1 ZINC000096007476 174855315 /nfs/dbraw/zinc/85/53/15/174855315.db2.gz FNAFOQBKKFFCFJ-SECBINFHSA-N 0 0 249.270 2.059 50 0 BEAARN COc1cc(-c2cncnc2)ccc1NC(C)=O ZINC000032553458 174938692 /nfs/dbraw/zinc/93/86/92/174938692.db2.gz WGFKYVOHCHTTLY-UHFFFAOYSA-N 0 0 243.266 2.111 50 0 BEAARN COc1cc(-c2nc3ncccc3o2)ccc1N ZINC000082549955 174939459 /nfs/dbraw/zinc/93/94/59/174939459.db2.gz HVUCUTBHQSLLGQ-UHFFFAOYSA-N 0 0 241.250 2.481 50 0 BEAARN COc1cc(/C=C2\N=C(C)OC2=O)cc(OC)c1 ZINC000004631904 174940992 /nfs/dbraw/zinc/94/09/92/174940992.db2.gz RVBXMTLYWMJFHD-SDQBBNPISA-N 0 0 247.250 2.020 50 0 BEAARN COc1cc(C(F)(F)F)nc(NC(C)C)n1 ZINC000001396732 174952756 /nfs/dbraw/zinc/95/27/56/174952756.db2.gz ZMFGXYQMCHTOJC-UHFFFAOYSA-N 0 0 235.209 2.324 50 0 BEAARN COc1cc(C)c(N)c(Br)c1 ZINC000118863064 174960004 /nfs/dbraw/zinc/96/00/04/174960004.db2.gz HCOQQRSOSIHZAS-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN COc1cc(C)c2c(N)c(C(C)=O)sc2n1 ZINC000005587633 174963921 /nfs/dbraw/zinc/96/39/21/174963921.db2.gz PVSZXCZECOYYLJ-UHFFFAOYSA-N 0 0 236.296 2.398 50 0 BEAARN COc1cc(CNC(=O)C2CCCCC2)ccn1 ZINC000012536488 174982100 /nfs/dbraw/zinc/98/21/00/174982100.db2.gz FJFDQQXNQWUUFW-UHFFFAOYSA-N 0 0 248.326 2.287 50 0 BEAARN COc1cc(Cn2cncn2)ccc1SC ZINC000078869087 174990617 /nfs/dbraw/zinc/99/06/17/174990617.db2.gz BDGDHAPGLUKEDY-UHFFFAOYSA-N 0 0 235.312 2.057 50 0 BEAARN COc1cc(OC)c2cc(OC)c(OC)cc2n1 ZINC000000384407 175009533 /nfs/dbraw/zinc/00/95/33/175009533.db2.gz QQGQDLAGTNVENE-UHFFFAOYSA-N 0 0 249.266 2.269 50 0 BEAARN COc1cc(OC)nc(-c2cccs2)n1 ZINC000001741438 175010856 /nfs/dbraw/zinc/01/08/56/175010856.db2.gz KGPMAYNHVDBOBB-UHFFFAOYSA-N 0 0 222.269 2.222 50 0 BEAARN COc1cc(SC)c(OC)cc1C=O ZINC000002555546 175013535 /nfs/dbraw/zinc/01/35/35/175013535.db2.gz IRQXDQKWXGOSEM-UHFFFAOYSA-N 0 0 212.270 2.238 50 0 BEAARN COc1cc2[nH]c(=S)[nH]c2cc1OC ZINC000001283226 175018473 /nfs/dbraw/zinc/01/84/73/175018473.db2.gz AIPIIYXJGWHOHR-UHFFFAOYSA-N 0 0 210.258 2.243 50 0 BEAARN COc1ccc(Br)cc1O ZINC000002568133 175050906 /nfs/dbraw/zinc/05/09/06/175050906.db2.gz OLSJHVZRUFFIPL-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN COc1cc2oc(=O)ccc2cc1C(C)=O ZINC000000384856 175029451 /nfs/dbraw/zinc/02/94/51/175029451.db2.gz QDWMZGNQFSIPKO-UHFFFAOYSA-N 0 0 218.208 2.004 50 0 in-vivo BEAARN COc1ccc(-c2c(C)sc(=N)n2C)cc1 ZINC000000479833 175029920 /nfs/dbraw/zinc/02/99/20/175029920.db2.gz XVITYLXQQPTTCR-UHFFFAOYSA-O 0 0 235.332 2.139 50 0 BEAARN COc1ccc(-c2cc(C)nc(N)n2)c(C)c1 ZINC000032580914 175031074 /nfs/dbraw/zinc/03/10/74/175031074.db2.gz LSSWQKRHSJWCHZ-UHFFFAOYSA-N 0 0 229.283 2.351 50 0 BEAARN COc1ccc(-c2cc(N)n[nH]2)cc1Cl ZINC000004234674 175031607 /nfs/dbraw/zinc/03/16/07/175031607.db2.gz DOIISVJWFRHPRP-UHFFFAOYSA-N 0 0 223.663 2.321 50 0 BEAARN COc1ccc(-c2ccc(C(N)=O)o2)cc1 ZINC000003848455 175033190 /nfs/dbraw/zinc/03/31/90/175033190.db2.gz ZURJHNWXHWLCDM-UHFFFAOYSA-N 0 0 217.224 2.054 50 0 BEAARN COc1ccc(-c2cc[nH]n2)cc1OC ZINC000014807482 175034798 /nfs/dbraw/zinc/03/47/98/175034798.db2.gz SKDIDNLXZGTGPW-UHFFFAOYSA-N 0 0 204.229 2.094 50 0 BEAARN COc1ccc(-c2csc3nc(N)nn23)cc1 ZINC000031891256 175038044 /nfs/dbraw/zinc/03/80/44/175038044.db2.gz LRTDOMNTSPYIQR-UHFFFAOYSA-N 0 0 246.295 2.049 50 0 BEAARN COc1ccc(-c2oc(C)c(C)[n+]2[O-])cc1OC ZINC000016511557 175043085 /nfs/dbraw/zinc/04/30/85/175043085.db2.gz MDLNMKPEFKTBMT-UHFFFAOYSA-N 0 0 249.266 2.214 50 0 BEAARN COc1ccc(-n2c(C)ccc2C)cn1 ZINC000000295136 175043842 /nfs/dbraw/zinc/04/38/42/175043842.db2.gz JOSVQQDTVYZKHG-UHFFFAOYSA-N 0 0 202.257 2.498 50 0 BEAARN COc1ccc(-n2nc3c(c2N)CSC3)cc1 ZINC000002454958 175044927 /nfs/dbraw/zinc/04/49/27/175044927.db2.gz LKGIXENABMEMIO-UHFFFAOYSA-N 0 0 247.323 2.210 50 0 BEAARN COc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000001865441 175048487 /nfs/dbraw/zinc/04/84/87/175048487.db2.gz VRUKGUBMRBLJJW-TWGQIWQCSA-N 0 0 235.264 2.019 50 0 in-vivo BEAARN COc1ccc(Br)c2c[nH]nc21 ZINC000075903322 175050976 /nfs/dbraw/zinc/05/09/76/175050976.db2.gz SIKUFDVMQXXDET-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1ccc(Br)cc1NC(C)=O ZINC000034218535 175051037 /nfs/dbraw/zinc/05/10/37/175051037.db2.gz ZQDNAIBBLPKWJG-UHFFFAOYSA-N 0 0 244.088 2.416 50 0 BEAARN COc1ccc(C(=O)NCC(C)C)cc1 ZINC000001596284 175059604 /nfs/dbraw/zinc/05/96/04/175059604.db2.gz PPLWMALMSINSBP-UHFFFAOYSA-N 0 0 207.273 2.081 50 0 BEAARN COc1ccc(C(=O)OCc2ccccn2)cc1 ZINC000000465416 175065599 /nfs/dbraw/zinc/06/55/99/175065599.db2.gz ZSCYBOICXOTLLQ-UHFFFAOYSA-N 0 0 243.262 2.447 50 0 BEAARN COc1ccc(C(F)(F)F)nc1OC ZINC000047218632 175069926 /nfs/dbraw/zinc/06/99/26/175069926.db2.gz MGPXISRKWSAGKD-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN COc1ccc(C)c2sc(=N)n(C)c21 ZINC000225393728 175071312 /nfs/dbraw/zinc/07/13/12/175071312.db2.gz FAPWONMXMONUAG-UHFFFAOYSA-N 0 0 208.286 2.036 50 0 BEAARN COc1ccc(C)cc1CCNC(=O)NC1CC1 ZINC000032843656 175075563 /nfs/dbraw/zinc/07/55/63/175075563.db2.gz UKNFAJFKZZSXQJ-UHFFFAOYSA-N 0 0 248.326 2.008 50 0 BEAARN COc1ccc(CCC(=O)NCC(C)C)cc1 ZINC000005907862 175088590 /nfs/dbraw/zinc/08/85/90/175088590.db2.gz FGDDNHLOZHKTRO-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN COc1ccc(CCn2cc(F)ccc2=O)cc1 ZINC000190747141 175094233 /nfs/dbraw/zinc/09/42/33/175094233.db2.gz VZTLJQBNZGKVMQ-UHFFFAOYSA-N 0 0 247.269 2.239 50 0 BEAARN COc1ccc(CN2CCO[C@@H](C)C2)cc1F ZINC000054172155 175102087 /nfs/dbraw/zinc/10/20/87/175102087.db2.gz LVBXPUAOGCBZSA-JTQLQIEISA-N 0 0 239.290 2.055 50 0 BEAARN COc1ccc(CNC(=O)C=C(C)C)cc1OC ZINC000040459820 175104065 /nfs/dbraw/zinc/10/40/65/175104065.db2.gz ACAAVQWFDQQQPA-UHFFFAOYSA-N 0 0 249.310 2.286 50 0 BEAARN COc1ccc(CNC(=O)[C@@H]2CC=CCC2)cn1 ZINC000054484437 175104700 /nfs/dbraw/zinc/10/47/00/175104700.db2.gz DLDOZCRRUMSTBS-GFCCVEGCSA-N 0 0 246.310 2.063 50 0 BEAARN COc1ccc(CO)cc1C(F)(F)F ZINC000002382272 175113743 /nfs/dbraw/zinc/11/37/43/175113743.db2.gz BZZVIAHLDIRLCX-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN COc1ccc(CSc2nccc(=O)[nH]2)cc1 ZINC000016039558 175115236 /nfs/dbraw/zinc/11/52/36/175115236.db2.gz HXTYMZAFGTVWMD-UHFFFAOYSA-N 0 0 248.307 2.071 50 0 BEAARN COc1ccc(Cl)c(OC)c1OC ZINC000002035953 175118525 /nfs/dbraw/zinc/11/85/25/175118525.db2.gz LIHWMLGRCUKVLB-UHFFFAOYSA-N 0 0 202.637 2.366 50 0 BEAARN COc1ccc(N)cc1NC(=O)CC(C)C ZINC000008703549 175138850 /nfs/dbraw/zinc/13/88/50/175138850.db2.gz GIGWBJWMGFCSHF-UHFFFAOYSA-N 0 0 222.288 2.262 50 0 BEAARN COc1ccc(NC(=O)C2CC=CC2)cc1O ZINC000195240831 175140566 /nfs/dbraw/zinc/14/05/66/175140566.db2.gz XAVXGJAJQXTIKG-UHFFFAOYSA-N 0 0 233.267 2.306 50 0 BEAARN COc1ccc(NC(=O)C2CCOCC2)cc1 ZINC000025131955 175140736 /nfs/dbraw/zinc/14/07/36/175140736.db2.gz YGQICOYTAFIKNB-UHFFFAOYSA-N 0 0 235.283 2.060 50 0 BEAARN COc1ccc(NC(=O)NC2CCCC2)cn1 ZINC000010261934 175143472 /nfs/dbraw/zinc/14/34/72/175143472.db2.gz XFXQCCBECUOUJN-UHFFFAOYSA-N 0 0 235.287 2.154 50 0 BEAARN COc1ccc(NC(=O)c2ccco2)cc1N ZINC000000541915 175147751 /nfs/dbraw/zinc/14/77/51/175147751.db2.gz OAOFCCHQBQISGT-UHFFFAOYSA-N 0 0 232.239 2.123 50 0 BEAARN COc1ccc(NC(=O)c2scnc2C)cn1 ZINC000040529036 175148361 /nfs/dbraw/zinc/14/83/61/175148361.db2.gz CWHSPJLSZRULNC-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccc(NC(C)=O)c(Br)c1 ZINC000065336862 175148397 /nfs/dbraw/zinc/14/83/97/175148397.db2.gz AXORYKRDGLYSCK-UHFFFAOYSA-N 0 0 244.088 2.416 50 0 BEAARN COc1ccc(OC)c(-c2cnc(N)s2)c1 ZINC000002533984 175163279 /nfs/dbraw/zinc/16/32/79/175163279.db2.gz UPKOWPIOEAJQFK-UHFFFAOYSA-N 0 0 236.296 2.410 50 0 BEAARN COc1ccc([C@H](O)c2cccc(N)c2)cc1 ZINC000014988588 175193828 /nfs/dbraw/zinc/19/38/28/175193828.db2.gz KRCULPGAHLEVKP-AWEZNQCLSA-N 0 0 229.279 2.359 50 0 biogenic BEAARN COc1ccc2c(c1)CCN2C(=S)NC1CC1 ZINC000058466111 175209011 /nfs/dbraw/zinc/20/90/11/175209011.db2.gz JJMGSHOVORXWLX-UHFFFAOYSA-N 0 0 248.351 2.095 50 0 BEAARN COc1ccc2c(c1)c(C=O)c(C)n2C ZINC000000329919 175217955 /nfs/dbraw/zinc/21/79/55/175217955.db2.gz MGLQQLFILGRXTQ-UHFFFAOYSA-N 0 0 203.241 2.308 50 0 biogenic BEAARN COc1ccc2nc(Br)sc2n1 ZINC000095836391 175226363 /nfs/dbraw/zinc/22/63/63/175226363.db2.gz ZTRHCDBAVCPFSM-UHFFFAOYSA-N 0 0 245.101 2.462 50 0 BEAARN COc1ccc2nc(C(F)(F)F)[nH]c(=O)c2c1 ZINC000005800153 175227261 /nfs/dbraw/zinc/22/72/61/175227261.db2.gz CCFVEOOUBBFZNV-UHFFFAOYSA-N 0 0 244.172 2.363 50 0 BEAARN COc1cccc(-c2cn3c(n2)NCCC3)c1 ZINC000084019494 175235023 /nfs/dbraw/zinc/23/50/23/175235023.db2.gz MOTVCDZDBAJRPH-UHFFFAOYSA-N 0 0 229.283 2.374 50 0 BEAARN COc1cccc(-c2n[nH]c(=S)n2C)c1 ZINC000016956940 175235421 /nfs/dbraw/zinc/23/54/21/175235421.db2.gz ZKXVLUDEUQOVMV-UHFFFAOYSA-N 0 0 221.285 2.153 50 0 BEAARN COc1cccc(-c2csc(N)n2)c1 ZINC000000150400 175235568 /nfs/dbraw/zinc/23/55/68/175235568.db2.gz NUMMWUVARLSQFR-UHFFFAOYSA-N 0 0 206.270 2.401 50 0 BEAARN COc1cccc(-c2cccc(N)c2)n1 ZINC000074938272 175235640 /nfs/dbraw/zinc/23/56/40/175235640.db2.gz IHNPUBICELQUGE-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN COc1cccc(-c2nn3c(C)nnc3s2)c1 ZINC000000385097 175237312 /nfs/dbraw/zinc/23/73/12/175237312.db2.gz OPEQCMPSGIGDIN-UHFFFAOYSA-N 0 0 246.295 2.170 50 0 BEAARN COc1cccc(C(=O)C(F)(F)F)c1N ZINC000039055743 175242671 /nfs/dbraw/zinc/24/26/71/175242671.db2.gz XIRKNTLEMGPMBX-UHFFFAOYSA-N 0 0 219.162 2.022 50 0 BEAARN COc1cccc(C(=O)NCCC(C)(F)F)c1 ZINC000295216763 175244710 /nfs/dbraw/zinc/24/47/10/175244710.db2.gz BFACIKCOESNSCD-UHFFFAOYSA-N 0 0 243.253 2.470 50 0 BEAARN COc1cccc(C(=S)N2CCCC2)c1O ZINC000002871694 175247519 /nfs/dbraw/zinc/24/75/19/175247519.db2.gz DFDPBASZYQEVKF-UHFFFAOYSA-N 0 0 237.324 2.172 50 0 BEAARN COc1cccc(CCNC(=O)CC(C)C)c1 ZINC000048298654 175252745 /nfs/dbraw/zinc/25/27/45/175252745.db2.gz DNAUUQUMDFUJNZ-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN COc1cccc(CN(C)Cc2cc[nH]n2)c1 ZINC000070040476 175254921 /nfs/dbraw/zinc/25/49/21/175254921.db2.gz SGKHKPOQDTVURR-UHFFFAOYSA-N 0 0 231.299 2.050 50 0 BEAARN COc1cccc(CNC(=O)N2CCCC2)c1 ZINC000030981390 175262400 /nfs/dbraw/zinc/26/24/00/175262400.db2.gz JVPPBEXQMBCCSH-UHFFFAOYSA-N 0 0 234.299 2.001 50 0 BEAARN COc1cccc(CNc2ccccc2CO)n1 ZINC000189430078 175268786 /nfs/dbraw/zinc/26/87/86/175268786.db2.gz OAHHPDCBZJAHPV-UHFFFAOYSA-N 0 0 244.294 2.195 50 0 BEAARN COc1cccc(F)c1-c1cncnc1 ZINC000067789247 175273353 /nfs/dbraw/zinc/27/33/53/175273353.db2.gz CLFSTDGPXCGJEF-UHFFFAOYSA-N 0 0 204.204 2.291 50 0 BEAARN COc1cccc(NC(=O)OC(C)(C)C)n1 ZINC000004352709 175277035 /nfs/dbraw/zinc/27/70/35/175277035.db2.gz BDYLIANVYQWWNB-UHFFFAOYSA-N 0 0 224.260 2.437 50 0 BEAARN COc1cccc(NC(=O)c2cc(C)on2)c1 ZINC000008772406 175278585 /nfs/dbraw/zinc/27/85/85/175278585.db2.gz UYFPITNNIZRPRK-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1cccc(O)c1Br ZINC000034454552 175280750 /nfs/dbraw/zinc/28/07/50/175280750.db2.gz GCFJMEJVRHBPJI-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN COc1cccc(OC)c1C(=O)c1ccc[nH]1 ZINC000034336840 175281484 /nfs/dbraw/zinc/28/14/84/175281484.db2.gz DHZRXIVNXWWUHA-UHFFFAOYSA-N 0 0 231.251 2.263 50 0 BEAARN COc1cccc(OCC(=O)N2CCCCC2)c1 ZINC000000529175 175282416 /nfs/dbraw/zinc/28/24/16/175282416.db2.gz ALXPEAQXIAGRQT-UHFFFAOYSA-N 0 0 249.310 2.087 50 0 BEAARN COc1cccc(OCCCc2cncnc2)c1 ZINC000082108924 175283564 /nfs/dbraw/zinc/28/35/64/175283564.db2.gz ZALUWIRQIXSRIT-UHFFFAOYSA-N 0 0 244.294 2.497 50 0 BEAARN COc1cccc([C@H](C)NC(=O)[C@@H]2CCCO2)c1 ZINC000006731216 175292839 /nfs/dbraw/zinc/29/28/39/175292839.db2.gz HISIBKDWWABLJR-GWCFXTLKSA-N 0 0 249.310 2.051 50 0 BEAARN COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)[O-])c1 ZINC000237335502 175296297 /nfs/dbraw/zinc/29/62/97/175296297.db2.gz KNQIWKXCQFQYAU-CYBMUJFWSA-N 0 0 249.310 2.307 50 0 BEAARN COc1ccccc1C(=O)Nc1c(C)n[nH]c1C ZINC000036734163 175318805 /nfs/dbraw/zinc/31/88/05/175318805.db2.gz KZIUHQGLEAASSK-UHFFFAOYSA-N 0 0 245.282 2.287 50 0 BEAARN COc1ccccc1CC(=O)Nc1cccnc1 ZINC000005335722 175321669 /nfs/dbraw/zinc/32/16/69/175321669.db2.gz VKZRFTLEIWXWGT-UHFFFAOYSA-N 0 0 242.278 2.271 50 0 BEAARN COc1ccccc1CCNC(=O)C1CCC1 ZINC000013327941 175323783 /nfs/dbraw/zinc/32/37/83/175323783.db2.gz DASRQTKPKBKENK-UHFFFAOYSA-N 0 0 233.311 2.154 50 0 BEAARN COc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000003754749 175326549 /nfs/dbraw/zinc/32/65/49/175326549.db2.gz QGAXUFYVQFXXON-GFCCVEGCSA-N 0 0 249.310 2.134 50 0 BEAARN COc1ccccc1CNC(=O)c1ccco1 ZINC000000224321 175329188 /nfs/dbraw/zinc/32/91/88/175329188.db2.gz CMCYQTHIVIAKMY-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000012398682 175348307 /nfs/dbraw/zinc/34/83/07/175348307.db2.gz CGNFZRZOWHPQRO-LBPRGKRZSA-N 0 0 249.310 2.307 50 0 BEAARN COc1cncc(C(=O)Nc2ccccc2)c1 ZINC000035270381 175384574 /nfs/dbraw/zinc/38/45/74/175384574.db2.gz JCZHMRPQYHZDCK-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN CS(=O)(=O)Nc1ccccc1-c1ccncc1 ZINC000130067083 175434063 /nfs/dbraw/zinc/43/40/63/175434063.db2.gz CMBQHYPKNXJEFM-UHFFFAOYSA-N 0 0 248.307 2.120 50 0 BEAARN CS[C@H](C)C(=O)NCc1ccc(C)s1 ZINC000048331623 175555485 /nfs/dbraw/zinc/55/54/85/175555485.db2.gz MUTJMXMZXXLPRX-MRVPVSSYSA-N 0 0 229.370 2.424 50 0 BEAARN CSc1nc(Br)cn2ccnc12 ZINC000071257404 175587124 /nfs/dbraw/zinc/58/71/24/175587124.db2.gz HWUMJZFDFAFXKB-UHFFFAOYSA-N 0 0 244.117 2.214 50 0 BEAARN CSc1nnc2ccc(Br)cn21 ZINC000015021132 175593283 /nfs/dbraw/zinc/59/32/83/175593283.db2.gz XHKNWSSERCJVBK-UHFFFAOYSA-N 0 0 244.117 2.214 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)Nc1cccnc1 ZINC000048448090 175774563 /nfs/dbraw/zinc/77/45/63/175774563.db2.gz KUWVSACWAMUYNT-JTQLQIEISA-N 0 0 245.282 2.427 50 0 BEAARN C[C@@H](Cc1cccs1)NC(=O)C1CC1 ZINC000036392292 175775615 /nfs/dbraw/zinc/77/56/15/175775615.db2.gz ZTNQZDVTISVNKZ-QMMMGPOBSA-N 0 0 209.314 2.205 50 0 BEAARN C[C@@H](Cn1cccn1)Nc1ccc2cc[nH]c2n1 ZINC000072157685 175781384 /nfs/dbraw/zinc/78/13/84/175781384.db2.gz WRLQKILYZUTWTE-JTQLQIEISA-N 0 0 241.298 2.260 50 0 BEAARN C[C@@H](NC(=O)[C@H]1C[C@@H]1F)c1ccccc1 ZINC000034217076 175846212 /nfs/dbraw/zinc/84/62/12/175846212.db2.gz XWUIVRLWEGBPDB-MIMYLULJSA-N 0 0 207.248 2.222 50 0 BEAARN C[C@@H](NC(=O)c1ccnn1C)c1ccc(F)cc1 ZINC000032519367 175851561 /nfs/dbraw/zinc/85/15/61/175851561.db2.gz MUSKSUHZNYQSPX-SECBINFHSA-N 0 0 247.273 2.050 50 0 BEAARN C[C@@H](NC(=S)N(C)C)c1ccccc1 ZINC000001410950 175854492 /nfs/dbraw/zinc/85/44/92/175854492.db2.gz LHHDYYXEQTZEMF-SECBINFHSA-N 0 0 208.330 2.184 50 0 BEAARN C[C@@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000059681454 175993163 /nfs/dbraw/zinc/99/31/63/175993163.db2.gz HYTHUSLXQOXIBJ-ZJUUUORDSA-N 0 0 229.320 2.157 50 0 BEAARN C[C@@H](OCC(F)(F)F)C(=O)NC1CCCC1 ZINC000040092956 176002155 /nfs/dbraw/zinc/00/21/55/176002155.db2.gz YZJWRWBGXXKXRJ-SSDOTTSWSA-N 0 0 239.237 2.013 50 0 BEAARN C[C@@H](OCc1ccccc1)C(=O)N1CCCC1 ZINC000034285371 176003309 /nfs/dbraw/zinc/00/33/09/176003309.db2.gz TVZLBOSPKGJOTA-GFCCVEGCSA-N 0 0 233.311 2.214 50 0 BEAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)C ZINC000012380292 176004083 /nfs/dbraw/zinc/00/40/83/176004083.db2.gz KBIPTCBSNLWIPV-MRVPVSSYSA-N 0 0 227.691 2.196 50 0 BEAARN C[C@@H](SCC1CCC1)C(=O)NC1CC1 ZINC000096433453 176007871 /nfs/dbraw/zinc/00/78/71/176007871.db2.gz VZIQEQJOQPSWNG-MRVPVSSYSA-N 0 0 213.346 2.187 50 0 BEAARN C[C@@H](Sc1ccccc1Cl)C(N)=O ZINC000003380628 176009763 /nfs/dbraw/zinc/00/97/63/176009763.db2.gz PFFRQFUJSGGJBT-ZCFIWIBFSA-N 0 0 215.705 2.306 50 0 BEAARN C[C@@H](c1cccc(O)c1)N(C)Cc1nccn1C ZINC000071897182 176018998 /nfs/dbraw/zinc/01/89/98/176018998.db2.gz RAVOAYFTXZVDCE-NSHDSACASA-N 0 0 245.326 2.319 50 0 BEAARN C[C@@H](c1cccnc1)N(C)Cc1ccc(CO)o1 ZINC000183722826 176028533 /nfs/dbraw/zinc/02/85/33/176028533.db2.gz JULNQDFYQPCWTI-NSHDSACASA-N 0 0 246.310 2.360 50 0 BEAARN C[C@H]1c2cc(-c3csc(N)n3)ccc2NC1=O ZINC000003888845 176047278 /nfs/dbraw/zinc/04/72/78/176047278.db2.gz PNFNFZMBTKZVQC-LURJTMIESA-N 0 0 245.307 2.448 50 0 BEAARN C[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC000005528002 176069342 /nfs/dbraw/zinc/06/93/42/176069342.db2.gz LLNCJYRCWMEUJW-SNVBAGLBSA-N 0 0 204.273 2.096 50 0 BEAARN C[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000001456449 176069507 /nfs/dbraw/zinc/06/95/07/176069507.db2.gz OPCGFWHCHDLRFY-SNVBAGLBSA-N 0 0 204.273 2.096 50 0 BEAARN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)n1cccn1 ZINC000040496962 176080058 /nfs/dbraw/zinc/08/00/58/176080058.db2.gz VKPKOVXGEYVTHX-UTUOFQBUSA-N 0 0 235.331 2.139 50 0 BEAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnccn1 ZINC000032787744 176085977 /nfs/dbraw/zinc/08/59/77/176085977.db2.gz IEJIMLDSAATWGJ-ZYHUDNBSSA-N 0 0 233.315 2.127 50 0 BEAARN C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000040505877 176092243 /nfs/dbraw/zinc/09/22/43/176092243.db2.gz ZYVLRFFHDODNDS-NEPJUHHUSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@@H]1CCCN(C(=O)Nc2cccnc2)C1 ZINC000024535529 176093440 /nfs/dbraw/zinc/09/34/40/176093440.db2.gz GTDJMJKDSOVCGW-SNVBAGLBSA-N 0 0 219.288 2.345 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000005264200 176096741 /nfs/dbraw/zinc/09/67/41/176096741.db2.gz KZPBEDTXPQBHPX-SNVBAGLBSA-N 0 0 243.310 2.435 50 0 BEAARN C[C@@H]1CCC[C@@]2(C1)NC(=S)N(C(C)(C)C)N2 ZINC000000139821 176134482 /nfs/dbraw/zinc/13/44/82/176134482.db2.gz IARFFTLYQWSPOS-BXKDBHETSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)CCn2cccn2)[C@@H]1C ZINC000047666016 176141166 /nfs/dbraw/zinc/14/11/66/176141166.db2.gz XNLOBKHIBPEABL-UPJWGTAASA-N 0 0 249.358 2.214 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)c2cnccn2)[C@@H]1C ZINC000033028630 176143033 /nfs/dbraw/zinc/14/30/33/176143033.db2.gz FXQLTXZPVNTNIB-MXWKQRLJSA-N 0 0 233.315 2.031 50 0 BEAARN C[C@@H]1CCC[C@H](OCC(=O)Nc2cnccn2)C1 ZINC000097379897 176145755 /nfs/dbraw/zinc/14/57/55/176145755.db2.gz ZECMPNSYZKPSBB-MNOVXSKESA-N 0 0 249.314 2.010 50 0 BEAARN C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)OCO2 ZINC000071856465 176149424 /nfs/dbraw/zinc/14/94/24/176149424.db2.gz GGRWGASDGBEPAU-MWLCHTKSSA-N 0 0 247.294 2.334 50 0 BEAARN C[C@@H]1CCc2c(sc3[nH]cnc(=NN)c23)C1 ZINC000000144674 176239493 /nfs/dbraw/zinc/23/94/93/176239493.db2.gz JYAWOBURGLFWTJ-ZCFIWIBFSA-N 0 0 234.328 2.102 50 0 BEAARN C[C@@H]1CN(C(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000000397414 176251365 /nfs/dbraw/zinc/25/13/65/176251365.db2.gz LFHHDZKHOKRJTJ-VXGBXAGGSA-N 0 0 248.326 2.005 50 0 BEAARN C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](C)O1 ZINC000000029747 176263182 /nfs/dbraw/zinc/26/31/82/176263182.db2.gz WIRZYKIFMJGHTQ-NXEZZACHSA-N 0 0 237.274 2.075 50 0 BEAARN C[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000023114957 176305141 /nfs/dbraw/zinc/30/51/41/176305141.db2.gz JUCOHXGUMPVRQS-GHMZBOCLSA-N 0 0 249.310 2.025 50 0 BEAARN C[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000054954678 176305576 /nfs/dbraw/zinc/30/55/76/176305576.db2.gz OVQAJYCAXPHYNV-LLVKDONJSA-N 0 0 203.285 2.098 50 0 in-vitro BEAARN C[C@@H]1CN(Cc2cccc(F)c2F)CCO1 ZINC000054172367 176306550 /nfs/dbraw/zinc/30/65/50/176306550.db2.gz UZISXBYHRQHUDI-SECBINFHSA-N 0 0 227.254 2.186 50 0 BEAARN C[C@@H]1CN(Cc2cncs2)C(C)(C)CO1 ZINC000097139472 176310743 /nfs/dbraw/zinc/31/07/43/176310743.db2.gz YUCVMCRUUJAJJV-SECBINFHSA-N 0 0 226.345 2.142 50 0 BEAARN C[C@@H]1CN2c3ccccc3C(C)(C)[C@@]2(C)NC1=O ZINC000005912329 176324523 /nfs/dbraw/zinc/32/45/23/176324523.db2.gz AEHJWSHZRUZMLG-BMIGLBTASA-N 0 0 244.338 2.266 50 0 biogenic BEAARN C[C@@H]1COCCN1C(=O)CCCc1ccccc1 ZINC000046746320 176334012 /nfs/dbraw/zinc/33/40/12/176334012.db2.gz BUOPTXUETUFDKI-CYBMUJFWSA-N 0 0 247.338 2.257 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCS2)C1 ZINC000358008072 176360995 /nfs/dbraw/zinc/36/09/95/176360995.db2.gz ASXBGDCXNBEYGB-GMTAPVOTSA-N 0 0 227.373 2.387 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccoc2)C1 ZINC000040480557 176361078 /nfs/dbraw/zinc/36/10/78/176361078.db2.gz ZEQJSJVYKOXNKP-NXEZZACHSA-N 0 0 207.273 2.398 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N[C@H](c1nccs1)C1CC1 ZINC000230088943 176431848 /nfs/dbraw/zinc/43/18/48/176431848.db2.gz CDPJTLQMFOROOW-QNSHHTMESA-N 0 0 236.340 2.366 50 0 BEAARN C[C@@H]1Oc2c(cccc2C(=O)N(C)C)[C@@H]1C ZINC000032820091 176485629 /nfs/dbraw/zinc/48/56/29/176485629.db2.gz NSSNZERKLFXAST-BDAKNGLRSA-N 0 0 219.284 2.273 50 0 BEAARN C[C@@](O)(CNC(=O)Nc1cccs1)C1CC1 ZINC000062021795 176517701 /nfs/dbraw/zinc/51/77/01/176517701.db2.gz UDNSKGPBZUVEAB-LLVKDONJSA-N 0 0 240.328 2.031 50 0 BEAARN C[C@H](C(=O)Nc1ccccc1)n1cccn1 ZINC000028192832 176579972 /nfs/dbraw/zinc/57/99/72/176579972.db2.gz HPILDFIHIQPFLW-SNVBAGLBSA-N 0 0 215.256 2.083 50 0 BEAARN C[C@H](C[NH2+][C@H](C)c1ccccc1)C(=O)[O-] ZINC000000270461 176685429 /nfs/dbraw/zinc/68/54/29/176685429.db2.gz RLDYLNBTVOECPS-NXEZZACHSA-N 0 0 207.273 2.058 50 0 BEAARN C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1cn[nH]c1 ZINC000275389990 176794432 /nfs/dbraw/zinc/79/44/32/176794432.db2.gz YPTNAIYRQMLNCH-WDEREUQCSA-N 0 0 233.315 2.333 50 0 BEAARN C[C@H](O)C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000095973268 177001530 /nfs/dbraw/zinc/00/15/30/177001530.db2.gz BSFLWGWMCXAUIN-RWMBFGLXSA-N 0 0 237.343 2.105 50 0 BEAARN C[C@H](O)c1nc2ccc(Cl)cc2n1C ZINC000040417036 177018968 /nfs/dbraw/zinc/01/89/68/177018968.db2.gz CSUQSNUYNQSETD-LURJTMIESA-N 0 0 210.664 2.280 50 0 BEAARN C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)Nc1ccccc1 ZINC000005699806 177020566 /nfs/dbraw/zinc/02/05/66/177020566.db2.gz MTMNVCRGENNVIW-JBLDHEPKSA-N 0 0 247.294 2.213 50 0 BEAARN C[C@H](Oc1ccccc1F)C(=O)N1CCCC1 ZINC000032958259 177024560 /nfs/dbraw/zinc/02/45/60/177024560.db2.gz HLIIDRJZVLTBFW-JTQLQIEISA-N 0 0 237.274 2.215 50 0 BEAARN C[C@H](SC[C@@H](O)CO)c1c(F)cccc1F ZINC000089904504 177027343 /nfs/dbraw/zinc/02/73/43/177027343.db2.gz OAYPLTBJUMHENG-YUMQZZPRSA-N 0 0 248.294 2.112 50 0 BEAARN C[C@H](CO)S[C@@H](C)C(=O)Nc1ccccc1 ZINC000160709605 177028672 /nfs/dbraw/zinc/02/86/72/177028672.db2.gz QTSFDQRSNFGVLH-ZJUUUORDSA-N 0 0 239.340 2.128 50 0 BEAARN C[C@@H](S[C@@H](C)c1cnccn1)c1nncn1C ZINC000289436970 177028681 /nfs/dbraw/zinc/02/86/81/177028681.db2.gz RTJBYQAAVXPUQB-DTWKUNHWSA-N 0 0 249.343 2.161 50 0 BEAARN C[C@H](Sc1ccccc1)C(=O)N(C)C ZINC000031850896 177029188 /nfs/dbraw/zinc/02/91/88/177029188.db2.gz HHHLTBLIHKCVSI-VIFPVBQESA-N 0 0 209.314 2.255 50 0 BEAARN C[C@H](Sc1nc2ccccc2s1)C(N)=O ZINC000003503925 177029877 /nfs/dbraw/zinc/02/98/77/177029877.db2.gz JRRQJZJBWNDOKI-LURJTMIESA-N 0 0 238.337 2.262 50 0 BEAARN C[C@H](c1ccccc1)N1CCC(=O)CC1 ZINC000000753062 177039025 /nfs/dbraw/zinc/03/90/25/177039025.db2.gz CDVAHHCNEWIUMV-LLVKDONJSA-N 0 0 203.285 2.413 50 0 BEAARN C[C@H](c1cccs1)N(C)C(=O)Cn1cccn1 ZINC000073025458 177048929 /nfs/dbraw/zinc/04/89/29/177048929.db2.gz LIKRKPOJWDCVLF-SNVBAGLBSA-N 0 0 249.339 2.164 50 0 BEAARN C[C@H](c1ncc(C(C)(C)C)o1)S(C)(=O)=O ZINC000085226066 177054334 /nfs/dbraw/zinc/05/43/34/177054334.db2.gz FYYJWDWVIMJHJS-SSDOTTSWSA-N 0 0 231.317 2.078 50 0 BEAARN C[C@H]1C(=O)CCN(C)[C@H]1c1ccccc1 ZINC000054957082 177056585 /nfs/dbraw/zinc/05/65/85/177056585.db2.gz STSXXDYXEZFGJE-GXFFZTMASA-N 0 0 203.285 2.268 50 0 BEAARN C[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000001456448 177073630 /nfs/dbraw/zinc/07/36/30/177073630.db2.gz OPCGFWHCHDLRFY-JTQLQIEISA-N 0 0 204.273 2.096 50 0 BEAARN C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000011864418 177076343 /nfs/dbraw/zinc/07/63/43/177076343.db2.gz XTYBWMHGFSKJEL-VIFPVBQESA-N 0 0 223.272 2.352 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccncc1 ZINC000012913964 177088011 /nfs/dbraw/zinc/08/80/11/177088011.db2.gz MHOFJBIBOVGCAB-CMPLNLGQSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)c1csc(N)n1 ZINC000055177432 177088773 /nfs/dbraw/zinc/08/87/73/177088773.db2.gz VLMAQIPKRMWBRL-JGVFFNPUSA-N 0 0 239.344 2.034 50 0 BEAARN C[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000041452835 177094407 /nfs/dbraw/zinc/09/44/07/177094407.db2.gz YSEDDFMFLJVIRO-VIFPVBQESA-N 0 0 234.299 2.424 50 0 BEAARN C[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000032667683 177095126 /nfs/dbraw/zinc/09/51/26/177095126.db2.gz ABMPOFILZJFHLU-NSHDSACASA-N 0 0 243.310 2.206 50 0 BEAARN C[C@H]1CCCN(C(=O)c2cscn2)CC1 ZINC000078482923 177096055 /nfs/dbraw/zinc/09/60/55/177096055.db2.gz ORSJIQSXTAJDMZ-VIFPVBQESA-N 0 0 224.329 2.405 50 0 BEAARN C[C@H]1CCCN1C1=NC(=O)[C@@H](c2ccccc2)O1 ZINC000039255743 177109769 /nfs/dbraw/zinc/10/97/69/177109769.db2.gz BCKCCDOJBTUCJQ-CMPLNLGQSA-N 0 0 244.294 2.125 50 0 BEAARN C[C@H]1CCC[C@@H](NC(=O)c2ccon2)CC1 ZINC000188925009 177122362 /nfs/dbraw/zinc/12/23/62/177122362.db2.gz CCIJOPQVZMTSRE-VHSXEESVSA-N 0 0 222.288 2.373 50 0 BEAARN C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCCCC1 ZINC000040007863 177130533 /nfs/dbraw/zinc/13/05/33/177130533.db2.gz RDHQNZHPEKEPFR-STQMWFEESA-N 0 0 238.375 2.262 50 0 BEAARN C[C@H]1CCCc2sc3[nH]cnc(=O)c3c21 ZINC000008739250 177145213 /nfs/dbraw/zinc/14/52/13/177145213.db2.gz CXWKTYCQWBZDGO-LURJTMIESA-N 0 0 220.297 2.424 50 0 BEAARN C[C@H]1CCN(C(=O)c2cc[nH]c2)CC1(F)F ZINC000334709839 177152802 /nfs/dbraw/zinc/15/28/02/177152802.db2.gz AGKRGCIJZCVPAS-QMMMGPOBSA-N 0 0 228.242 2.132 50 0 BEAARN C[C@H]1CCN(C(N)=O)[C@H]1c1cccc(F)c1 ZINC000081674367 177157711 /nfs/dbraw/zinc/15/77/11/177157711.db2.gz PLCNIXHLUKKDQB-GZMMTYOYSA-N 0 0 222.263 2.287 50 0 BEAARN C[C@H]1CCc2c(sc3ncnc(N)c23)C1 ZINC000000129168 177209478 /nfs/dbraw/zinc/20/94/78/177209478.db2.gz OHTRNARYCIBLLU-LURJTMIESA-N 0 0 219.313 2.398 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C\c2ccccc2)C[C@H](C)O1 ZINC000096545017 177210625 /nfs/dbraw/zinc/21/06/25/177210625.db2.gz LRHCUXPHENVHGT-NUAVKIRRSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@H]1CCc2sc3ncn4ncnc4c3c2C1 ZINC000002239498 177211248 /nfs/dbraw/zinc/21/12/48/177211248.db2.gz OLGDKHOCGGSFNT-ZETCQYMHSA-N 0 0 244.323 2.464 50 0 BEAARN C[C@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CO1 ZINC000065604351 177214234 /nfs/dbraw/zinc/21/42/34/177214234.db2.gz NEQDQLFXXVXBEL-QWRGUYRKSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@H]1CN(C(=O)Nc2ccccc2)CCC1=O ZINC000168839397 177221250 /nfs/dbraw/zinc/22/12/50/177221250.db2.gz IJPVTQWCJIOJQS-JTQLQIEISA-N 0 0 232.283 2.129 50 0 BEAARN C[C@H]1CN(Cc2cccc(F)c2)CCO1 ZINC000040479426 177265405 /nfs/dbraw/zinc/26/54/05/177265405.db2.gz SURLLSFQMZLPCF-JTQLQIEISA-N 0 0 209.264 2.046 50 0 BEAARN C[C@@H]1CN(c2nc3ccccc3n2C)C[C@H](C)O1 ZINC000033863904 177277911 /nfs/dbraw/zinc/27/79/11/177277911.db2.gz JRZHYBYMOSOUES-PHIMTYICSA-N 0 0 245.326 2.187 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cccnc2)C1 ZINC000016970275 177312117 /nfs/dbraw/zinc/31/21/17/177312117.db2.gz DFJFIOBLLXANPJ-PHIMTYICSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@H]1C[C@@H]1COC(=O)c1ccnc(F)c1 ZINC000071803625 177346822 /nfs/dbraw/zinc/34/68/22/177346822.db2.gz OQXFFLQCCBMQSL-IONNQARKSA-N 0 0 209.220 2.034 50 0 BEAARN C[C@H]1C[C@@H]1c1nc(-c2cccnc2)no1 ZINC000225555454 177351812 /nfs/dbraw/zinc/35/18/12/177351812.db2.gz TVLITCPZOFCKOX-CBAPKCEASA-N 0 0 201.229 2.255 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2N)C1 ZINC000008703307 177357587 /nfs/dbraw/zinc/35/75/87/177357587.db2.gz HBRDSVZHQXKCKQ-QWRGUYRKSA-N 0 0 232.327 2.387 50 0 BEAARN C[C@H]1C[C@H](c2ccccc2)n2ncnc2N1 ZINC000000117702 177375537 /nfs/dbraw/zinc/37/55/37/177375537.db2.gz VKVCMTXNNRZRHR-GXSJLCMTSA-N 0 0 214.272 2.072 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000252498572 177376236 /nfs/dbraw/zinc/37/62/36/177376236.db2.gz REZVQKPNDXSEGN-GXFFZTMASA-N 0 0 242.322 2.483 50 0 BEAARN C[C@H]1C[C@H]1C(=O)OCc1nc2ccccc2[nH]1 ZINC000042369220 177378035 /nfs/dbraw/zinc/37/80/35/177378035.db2.gz RJLWBZXNVWPMOW-DTWKUNHWSA-N 0 0 230.267 2.262 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)C1CC1 ZINC000000419831 177389446 /nfs/dbraw/zinc/38/94/46/177389446.db2.gz NJIPGDYKLBDXJX-VIFPVBQESA-N 0 0 201.269 2.374 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCO1 ZINC000001054235 177389949 /nfs/dbraw/zinc/38/99/49/177389949.db2.gz UXYQSLYRJLGZGN-GWCFXTLKSA-N 0 0 231.295 2.143 50 0 BEAARN Cc1[nH]c(=S)[nH]c(=O)c1Cc1ccccc1 ZINC000018061631 177504412 /nfs/dbraw/zinc/50/44/12/177504412.db2.gz DNEXCHUDIUXJAZ-UHFFFAOYSA-N 0 0 232.308 2.332 50 0 BEAARN CCn1c(=O)oc2ccc(Br)cc21 ZINC000001582868 229415189 /nfs/dbraw/zinc/41/51/89/229415189.db2.gz YFXOUBTUTSXARF-UHFFFAOYSA-N 0 0 242.072 2.377 50 0 BEAARN CC(C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000007005673 487764244 /nfs/dbraw/zinc/76/42/44/487764244.db2.gz MIOAOWNZPDVQSV-UHFFFAOYSA-N 0 0 238.331 2.287 50 0 BEAARN Cc1ccc(CN(C)[C@H]2C[C@@H](C)OC2=O)cc1 ZINC000107569436 487818398 /nfs/dbraw/zinc/81/83/98/487818398.db2.gz JGXXCINWJJLPKY-YPMHNXCESA-N 0 0 233.311 2.131 50 0 BEAARN CCCCCN1CC(=O)N[C@@H]1c1cccc(O)c1 ZINC000097052959 487860091 /nfs/dbraw/zinc/86/00/91/487860091.db2.gz ZPJOFKALHIQIHH-AWEZNQCLSA-N 0 0 248.326 2.013 50 0 BEAARN Cc1ccc(C(=O)CCC(=O)N(C)C)cc1 ZINC000047651500 487864137 /nfs/dbraw/zinc/86/41/37/487864137.db2.gz UCHIPYQVWBWPIH-UHFFFAOYSA-N 0 0 219.284 2.046 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)oc(=O)n2CC ZINC000046009856 487865349 /nfs/dbraw/zinc/86/53/49/487865349.db2.gz IAFZGRRKFDQUGK-UHFFFAOYSA-N 0 0 248.282 2.353 50 0 BEAARN CCc1ccc(C(=O)NCc2ccc(C)nc2)o1 ZINC000049200886 487944432 /nfs/dbraw/zinc/94/44/32/487944432.db2.gz UPIKEKBNDRKONK-UHFFFAOYSA-N 0 0 244.294 2.475 50 0 BEAARN C[C@H](COc1ccccc1)[NH2+]C1(C(=O)[O-])CCC1 ZINC000534581293 323153802 /nfs/dbraw/zinc/15/38/02/323153802.db2.gz VNNSIROCCWEYNC-LLVKDONJSA-N 0 0 249.310 2.051 50 0 BEAARN Cc1n[nH]cc1-c1ccc(C(=O)N2CCCC2)o1 ZINC000534582608 323153941 /nfs/dbraw/zinc/15/39/41/323153941.db2.gz HZZOMHSSDBEPKL-UHFFFAOYSA-N 0 0 245.282 2.214 50 0 BEAARN Cc1ccnc(CNC(=O)C[C@@H]2CC2(F)F)c1 ZINC000534588944 323154338 /nfs/dbraw/zinc/15/43/38/323154338.db2.gz NQAVCRGBQIKLQL-SECBINFHSA-N 0 0 240.253 2.052 50 0 BEAARN Cc1n[nH]cc1-c1cc(N2CCCCC2)ncn1 ZINC000534651098 323157409 /nfs/dbraw/zinc/15/74/09/323157409.db2.gz XQOZKCWJPADBIG-UHFFFAOYSA-N 0 0 243.314 2.165 50 0 BEAARN Cc1cc(C(=O)NCc2cscn2)cc(C)n1 ZINC000534658723 323157982 /nfs/dbraw/zinc/15/79/82/323157982.db2.gz CDOLTZDSSODQDZ-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cc1n[nH]cc1-c1ccc2c(c1)CN(C)C(=O)N2 ZINC000534675022 323158686 /nfs/dbraw/zinc/15/86/86/323158686.db2.gz DRILWWHTHUWCOF-UHFFFAOYSA-N 0 0 242.282 2.362 50 0 BEAARN CSCC(=O)NC1(c2cccc(C)c2)CC1 ZINC000534676306 323159183 /nfs/dbraw/zinc/15/91/83/323159183.db2.gz DSPHHHGUQSDTQX-UHFFFAOYSA-N 0 0 235.352 2.463 50 0 BEAARN CC(C)SCC(=O)NCC[C@H]1CCCOC1 ZINC000534676754 323159215 /nfs/dbraw/zinc/15/92/15/323159215.db2.gz YPTLZJCSSOUBSS-LLVKDONJSA-N 0 0 245.388 2.061 50 0 BEAARN Cc1ccc(/C=C/C(=O)c2ccc[n+]([O-])c2)o1 ZINC000033694485 323235669 /nfs/dbraw/zinc/23/56/69/323235669.db2.gz NLWBPJMMSUPUTQ-VOTSOKGWSA-N 0 0 229.235 2.118 50 0 BEAARN CC(C)CC(=O)N1C(=O)OC[C@@H]1C(C)C ZINC000034535305 323235939 /nfs/dbraw/zinc/23/59/39/323235939.db2.gz TZFXVYWRBTZTML-SECBINFHSA-N 0 0 213.277 2.036 50 0 BEAARN O=C(Nc1cnccn1)c1cccc2c1CCC2 ZINC000125766238 324652931 /nfs/dbraw/zinc/65/29/31/324652931.db2.gz VAZPGTHBOHHRCW-UHFFFAOYSA-N 0 0 239.278 2.218 50 0 BEAARN Cc1occc1S[C@H](C(N)=O)C(C)C ZINC000131405494 325146255 /nfs/dbraw/zinc/14/62/55/325146255.db2.gz YFAYYNNPTKHDEQ-VIFPVBQESA-N 0 0 213.302 2.190 50 0 BEAARN Cc1cc(C(=O)NCC(F)(F)F)oc1C ZINC000134867491 325379996 /nfs/dbraw/zinc/37/99/96/325379996.db2.gz QCRROCZZYNTXNL-UHFFFAOYSA-N 0 0 221.178 2.189 50 0 BEAARN O=C(c1cncc(Cl)c1)C(F)(F)F ZINC000091356117 488030763 /nfs/dbraw/zinc/03/07/63/488030763.db2.gz KBKHYZLVWOLSRV-UHFFFAOYSA-N 0 0 209.554 2.480 50 0 BEAARN O=C([O-])[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C1CC1 ZINC000091452166 488053060 /nfs/dbraw/zinc/05/30/60/488053060.db2.gz VAMJWNAJEMXFNG-QWHCGFSZSA-N 0 0 237.343 2.219 50 0 BEAARN Cc1oc(C)c(C(=O)NC[C@H]2CCCO2)c1C ZINC000013020657 488056601 /nfs/dbraw/zinc/05/66/01/488056601.db2.gz YDCQTIOVJKUKHE-LLVKDONJSA-N 0 0 237.299 2.114 50 0 BEAARN Cc1n[nH]c(C)c1CNc1cc(C2CC2)ncn1 ZINC000091707064 488061001 /nfs/dbraw/zinc/06/10/01/488061001.db2.gz YVVCJCAHAAOGPL-UHFFFAOYSA-N 0 0 243.314 2.306 50 0 BEAARN CC(C)n1ncnc1-c1noc2c1CCCC2 ZINC000091845517 488070815 /nfs/dbraw/zinc/07/08/15/488070815.db2.gz KOBMJBOSYSZDTI-UHFFFAOYSA-N 0 0 232.287 2.393 50 0 BEAARN C[C@H]1C[C@H]1c1ccc(CNC(=O)C2CC2)o1 ZINC000084688999 488081667 /nfs/dbraw/zinc/08/16/67/488081667.db2.gz IQMZEYDKCVLGQZ-GZMMTYOYSA-N 0 0 219.284 2.429 50 0 BEAARN CCC[C@H]1CCCC[C@@H]1NC(=O)COCC ZINC000084740616 488089494 /nfs/dbraw/zinc/08/94/94/488089494.db2.gz ISYWTVBTJQEQGZ-RYUDHWBXSA-N 0 0 227.348 2.498 50 0 BEAARN CCC[C@H]1CCCC[C@@H]1NC(=O)NOC ZINC000084740639 488089541 /nfs/dbraw/zinc/08/95/41/488089541.db2.gz OYRZZYUUWOKQAM-UWVGGRQHSA-N 0 0 214.309 2.206 50 0 BEAARN Cc1ncn(COC(=O)c2ccccc2)c1C ZINC000092856924 488101979 /nfs/dbraw/zinc/10/19/79/488101979.db2.gz GRARLDUDLKOURO-UHFFFAOYSA-N 0 0 230.267 2.314 50 0 BEAARN Cc1nc2c(c(=O)[nH]1)CN(Cc1cccs1)C2 ZINC000670458582 487511572 /nfs/dbraw/zinc/51/15/72/487511572.db2.gz OLELRUMYBZGBHE-UHFFFAOYSA-N 0 0 247.323 2.068 50 0 BEAARN CCCc1cnc(N2CC[C@@H](C(C)(C)O)C2)nc1 ZINC000670460085 487513103 /nfs/dbraw/zinc/51/31/03/487513103.db2.gz NZQQWIUJKTWLIT-GFCCVEGCSA-N 0 0 249.358 2.026 50 0 BEAARN Cc1cnc(C)nc1N(C)CCC1(O)CCCC1 ZINC000670468391 487521641 /nfs/dbraw/zinc/52/16/41/487521641.db2.gz XQECUTZVOKFBGM-UHFFFAOYSA-N 0 0 249.358 2.225 50 0 BEAARN Cn1c(NC(=O)c2ccco2)nc2ccccc21 ZINC000003877030 487889783 /nfs/dbraw/zinc/88/97/83/487889783.db2.gz MHUZYPHFLXAEAI-UHFFFAOYSA-N 0 0 241.250 2.419 50 0 BEAARN O=c1nc2ccc(Br)c(F)c2c[nH]1 ZINC000116551548 488170979 /nfs/dbraw/zinc/17/09/79/488170979.db2.gz WTQILYCHECMEPZ-UHFFFAOYSA-N 0 0 243.035 2.237 50 0 BEAARN CC(C)(C)NC(=S)N(N)c1ccccc1 ZINC000670419176 488185405 /nfs/dbraw/zinc/18/54/05/488185405.db2.gz FIAWPRWLVSPGLF-UHFFFAOYSA-N 0 0 223.345 2.040 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)CCOc1ccccc1 ZINC000078536736 488211568 /nfs/dbraw/zinc/21/15/68/488211568.db2.gz ABSMQPPSBRUITQ-DGCLKSJQSA-N 0 0 233.311 2.180 50 0 BEAARN CC(Nc1ccc(F)cc1)=C1CCOC1=O ZINC000106209170 490114505 /nfs/dbraw/zinc/11/45/05/490114505.db2.gz TWEZLQROPIJJDQ-FLIBITNWSA-N 0 0 221.231 2.459 50 0 BEAARN Cc1ccnc(N)c1C(=O)c1ccccc1F ZINC000070402127 490211199 /nfs/dbraw/zinc/21/11/99/490211199.db2.gz FVPKDUHXJSBABR-UHFFFAOYSA-N 0 0 230.242 2.342 50 0 BEAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000006726265 490250342 /nfs/dbraw/zinc/25/03/42/490250342.db2.gz ABYJVNLSKNKHGF-SKDRFNHKSA-N 0 0 237.274 2.123 50 0 BEAARN O=C(c1ncc[nH]1)c1ccc(-c2cc[nH]n2)cc1 ZINC000067934583 490256873 /nfs/dbraw/zinc/25/68/73/490256873.db2.gz MIOQNIWIKRGSEV-UHFFFAOYSA-N 0 0 238.250 2.031 50 0 BEAARN CC[C@@H](C)[C@H](NC)C(=O)OCc1ccccc1 ZINC000071788292 490278077 /nfs/dbraw/zinc/27/80/77/490278077.db2.gz ATJJWXDHFSKJKM-YPMHNXCESA-N 0 0 235.327 2.364 50 0 BEAARN CC[C@H](COC)Nc1ccc([S@@](C)=O)cc1 ZINC000097101628 490317569 /nfs/dbraw/zinc/31/75/69/490317569.db2.gz CVHCIELERLTZPJ-HWPZZCPQSA-N 0 0 241.356 2.261 50 0 BEAARN Nc1nnc(-c2ccc3ccccc3c2)o1 ZINC000000024188 491083803 /nfs/dbraw/zinc/08/38/03/491083803.db2.gz UNYFQKGWGIABDA-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN CNc1nc(C)c(C(=O)N2CCCCC2)s1 ZINC000049664400 491084308 /nfs/dbraw/zinc/08/43/08/491084308.db2.gz MFVHULVQWXNURW-UHFFFAOYSA-N 0 0 239.344 2.119 50 0 BEAARN CC[C@H](C)[C@H](O)CNc1cccc(C)n1 ZINC000157543148 491087089 /nfs/dbraw/zinc/08/70/89/491087089.db2.gz XQEGDIUYULCXIN-GXSJLCMTSA-N 0 0 208.305 2.209 50 0 BEAARN CC[C@@H](C)[C@@H](O)CNc1cccc(C)n1 ZINC000157543291 491087160 /nfs/dbraw/zinc/08/71/60/491087160.db2.gz XQEGDIUYULCXIN-KOLCDFICSA-N 0 0 208.305 2.209 50 0 BEAARN Cc1nccn1CC(=O)N[C@H](C)C1=CCCCC1 ZINC000670435768 491105310 /nfs/dbraw/zinc/10/53/10/491105310.db2.gz VTVCSLYQCOHXAP-LLVKDONJSA-N 0 0 247.342 2.197 50 0 BEAARN CCCc1cnc(C)nc1N(C)C[C@H]1CCOC1 ZINC000670435738 491105335 /nfs/dbraw/zinc/10/53/35/491105335.db2.gz LCLBPNNHDYGZQN-GFCCVEGCSA-N 0 0 249.358 2.210 50 0 BEAARN Cc1n[nH]c(C)c1CNC(=O)C1CCCCC1 ZINC000041533761 518192308 /nfs/dbraw/zinc/19/23/08/518192308.db2.gz CUWFRJGVWJLWOF-UHFFFAOYSA-N 0 0 235.331 2.223 50 0 BEAARN O=Cc1ccc(I)cc1 ZINC000001736768 518202765 /nfs/dbraw/zinc/20/27/65/518202765.db2.gz NIEBHDXUIJSHSL-UHFFFAOYSA-N 0 0 232.020 2.104 50 0 BEAARN O=c1c2ccccc2ncn1Cc1ccccc1 ZINC000000371475 518203215 /nfs/dbraw/zinc/20/32/15/518203215.db2.gz IBWZSUGBNKITMC-UHFFFAOYSA-N 0 0 236.274 2.445 50 0 BEAARN CC(C)(C(=O)N[C@H]1CC[C@H](F)C1)C(F)F ZINC000335342732 534372177 /nfs/dbraw/zinc/37/21/77/534372177.db2.gz AVYZYOHYQLEXQA-BQBZGAKWSA-N 0 0 223.238 2.285 50 0 BEAARN CC(C)(C(=O)N[C@H]1CC[C@@H](F)C1)C(F)F ZINC000335342755 534372994 /nfs/dbraw/zinc/37/29/94/534372994.db2.gz AVYZYOHYQLEXQA-RQJHMYQMSA-N 0 0 223.238 2.285 50 0 BEAARN CC(C)=CC(=O)OCC(=O)N(C)c1ccccc1 ZINC000060965393 519402211 /nfs/dbraw/zinc/40/22/11/519402211.db2.gz IWBKMLDPIJROHA-UHFFFAOYSA-N 0 0 247.294 2.159 50 0 BEAARN CC(C)(C)C(=O)N1CCOc2ccc(N)cc21 ZINC000036379662 534454693 /nfs/dbraw/zinc/45/46/93/534454693.db2.gz SOXZPKHZFLAKRK-UHFFFAOYSA-N 0 0 234.299 2.040 50 0 BEAARN CC(C)n1ccc(CN(C)Cc2cccnc2)n1 ZINC000179522556 519997090 /nfs/dbraw/zinc/99/70/90/519997090.db2.gz GVNGAAQGEJFIOC-UHFFFAOYSA-N 0 0 244.342 2.491 50 0 BEAARN CC/C=C(/C)C(=O)NCCCn1nc(C)cc1C ZINC000058277918 520183528 /nfs/dbraw/zinc/18/35/28/520183528.db2.gz APJQMUFNBLOKPS-XFFZJAGNSA-N 0 0 249.358 2.363 50 0 BEAARN CCC(=O)/N=c1\sc2ccccc2n1C ZINC000100529785 521069091 /nfs/dbraw/zinc/06/90/91/521069091.db2.gz APNFPNVTBGCDEV-QXMHVHEDSA-N 0 0 220.297 2.077 50 0 BEAARN Ic1ccnc2occc21 ZINC000498050963 534542210 /nfs/dbraw/zinc/54/22/10/534542210.db2.gz YDLUNKVEBMXYMY-UHFFFAOYSA-N 0 0 245.019 2.432 50 0 BEAARN CCN(Cc1nc(C)no1)Cc1ccncc1C ZINC000244842321 521449976 /nfs/dbraw/zinc/44/99/76/521449976.db2.gz UOMLGKILPMAGGR-UHFFFAOYSA-N 0 0 246.314 2.104 50 0 BEAARN CCc1nc(CCNC(=O)C2CCC2)cs1 ZINC000071924427 522265681 /nfs/dbraw/zinc/26/56/81/522265681.db2.gz QBTCNWCAUYTNKX-UHFFFAOYSA-N 0 0 238.356 2.164 50 0 BEAARN CCc1noc(CN(C)Cc2cccc(F)c2)n1 ZINC000058596028 522897235 /nfs/dbraw/zinc/89/72/35/522897235.db2.gz ACTFOOSZUHXAAP-UHFFFAOYSA-N 0 0 249.289 2.403 50 0 BEAARN CN(CCc1ccncc1)C(=O)C[C@@H]1C=CCC1 ZINC000058051284 522974806 /nfs/dbraw/zinc/97/48/06/522974806.db2.gz SGTBRGQRRLCIHO-CQSZACIVSA-N 0 0 244.338 2.439 50 0 BEAARN CCc1cc(NC[C@H]2CC[C@H](CO)CC2)ncn1 ZINC000244811495 523821279 /nfs/dbraw/zinc/82/12/79/523821279.db2.gz SDUGIGVQTYGUEN-HAQNSBGRSA-N 0 0 249.358 2.250 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)CCOCc1ccccc1 ZINC000089920365 524839158 /nfs/dbraw/zinc/83/91/58/524839158.db2.gz HZJACYYELBSWER-JSGCOSHPSA-N 0 0 247.338 2.318 50 0 BEAARN CC(=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000334242091 534817723 /nfs/dbraw/zinc/81/77/23/534817723.db2.gz WZTXCXJSRWAZBI-GFCCVEGCSA-N 0 0 225.238 2.243 50 0 BEAARN Cc1ccc(N2CCc3ccccc3C2)nn1 ZINC000390832364 524977584 /nfs/dbraw/zinc/97/75/84/524977584.db2.gz YZHRAIINMUJENS-UHFFFAOYSA-N 0 0 225.295 2.348 50 0 BEAARN Cc1ccc(N2N[C@](C)(C3CC3)NC2=O)cc1C ZINC000334161233 524988255 /nfs/dbraw/zinc/98/82/55/524988255.db2.gz WVHBHJISMBTAFW-CQSZACIVSA-N 0 0 245.326 2.464 50 0 BEAARN Cc1ccc(NC(N)=O)cc1OC(F)F ZINC000114817535 525266434 /nfs/dbraw/zinc/26/64/34/525266434.db2.gz FZAVHNHBJJJHLQ-UHFFFAOYSA-N 0 0 216.187 2.087 50 0 BEAARN Cc1ccc(OCCN(C)C(=O)[C@H]2C[C@@H]2C)cc1 ZINC000040001079 525414901 /nfs/dbraw/zinc/41/49/01/525414901.db2.gz NIIFKDHUSNQLMD-JSGCOSHPSA-N 0 0 247.338 2.488 50 0 BEAARN O=C(NCC[C@@H]1CCCO1)NCc1ccccc1 ZINC000025236729 526382365 /nfs/dbraw/zinc/38/23/65/526382365.db2.gz UMBDXVFHHGEBAV-ZDUSSCGKSA-N 0 0 248.326 2.055 50 0 BEAARN c1cc(SCCOC[C@H]2CCCO2)ccn1 ZINC000089884989 526436589 /nfs/dbraw/zinc/43/65/89/526436589.db2.gz GILHCLPYBIGWDT-LLVKDONJSA-N 0 0 239.340 2.369 50 0 BEAARN O=C(CCc1ccc(F)cc1)OCc1ccon1 ZINC000071914295 526590378 /nfs/dbraw/zinc/59/03/78/526590378.db2.gz QYVWHSFPRFCWDX-UHFFFAOYSA-N 0 0 249.241 2.490 50 0 BEAARN Cc1nc2sc3c(c2c(=N)n1N)[C@H](C)CCC3 ZINC000020100291 527206848 /nfs/dbraw/zinc/20/68/48/527206848.db2.gz AOALKGYSGFTUMV-ZCFIWIBFSA-N 0 0 248.355 2.039 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000002586106 527384443 /nfs/dbraw/zinc/38/44/43/527384443.db2.gz MQEZPQHIAIRXQC-MRVPVSSYSA-N 0 0 234.082 2.468 50 0 BEAARN O=C(N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000003900091 527443641 /nfs/dbraw/zinc/44/36/41/527443641.db2.gz CHKCQWNXMJAHPZ-UHFFFAOYSA-N 0 0 249.354 2.062 50 0 BEAARN CCCCCCOC(=O)[C@H](N)CC(C)C ZINC000004644862 534996138 /nfs/dbraw/zinc/99/61/38/534996138.db2.gz QZGWRJHBXISPLO-LLVKDONJSA-N 0 0 215.337 2.483 50 0 BEAARN CCCCN(CCCC)C(=O)Cc1ncc[nH]1 ZINC000408522268 535252592 /nfs/dbraw/zinc/25/25/92/535252592.db2.gz GOLKCJJXGANWEH-UHFFFAOYSA-N 0 0 237.347 2.381 50 0 BEAARN CCOC(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000017297227 535411791 /nfs/dbraw/zinc/41/17/91/535411791.db2.gz DZLQHXFFLQBPOT-UHFFFAOYSA-N 0 0 248.282 2.164 50 0 BEAARN CO[C@H]1CN=C(Nc2ccccc2)S1 ZINC000147997946 537960660 /nfs/dbraw/zinc/96/06/60/537960660.db2.gz HPMPEHVQMGKPGC-SECBINFHSA-N 0 0 208.286 2.174 50 0 BEAARN Cc1ccc(CNCc2cn(C)cn2)s1 ZINC000308927944 566317841 /nfs/dbraw/zinc/31/78/41/566317841.db2.gz QLVSOSQFSLQCIY-UHFFFAOYSA-N 0 0 221.329 2.080 50 0 BEAARN CCOC(=O)[C@@H](CC)C(=O)C(C)(C)C ZINC000043502664 582810741 /nfs/dbraw/zinc/81/07/41/582810741.db2.gz QDYVJSMPFVBBNO-QMMMGPOBSA-N 0 0 200.278 2.191 50 0 BEAARN C[Si](C)(C)c1cc2ncc(O)cc2o1 ZINC000169794235 583947209 /nfs/dbraw/zinc/94/72/09/583947209.db2.gz LRACGUBCNVQHAO-UHFFFAOYSA-N 0 0 207.305 2.079 50 0 BEAARN C=CC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000791336973 585978011 /nfs/dbraw/zinc/97/80/11/585978011.db2.gz SQCQQDPCJMTSFC-JTQLQIEISA-N 0 0 237.686 2.466 50 0 BEAARN C=CC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000834392623 587754290 /nfs/dbraw/zinc/75/42/90/587754290.db2.gz HESDEIFUIMQWED-SNVBAGLBSA-N 0 0 222.313 2.301 50 0 BEAARN O=C([O-])[C@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 ZINC000107470183 588367423 /nfs/dbraw/zinc/36/74/23/588367423.db2.gz NXAYXNDUQHLYJA-QWRGUYRKSA-N 0 0 211.305 2.020 50 0 BEAARN C=CC(=O)N1CCCN(C)c2cc(F)ccc21 ZINC000848979140 588422918 /nfs/dbraw/zinc/42/29/18/588422918.db2.gz GBHIGGKRUVFQPG-UHFFFAOYSA-N 0 0 234.274 2.185 50 0 BEAARN C=CC(=O)NC[C@H]1SCCc2ccccc21 ZINC000848979640 588423135 /nfs/dbraw/zinc/42/31/35/588423135.db2.gz VAQNFHRIXCOTCH-GFCCVEGCSA-N 0 0 233.336 2.319 50 0 BEAARN C=CC(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000863971510 589329178 /nfs/dbraw/zinc/32/91/78/589329178.db2.gz WFBIBONMABLOPY-QMMMGPOBSA-N 0 0 221.231 2.126 50 0 BEAARN C=CC(=O)NC[C@@H]1CSc2ccccc21 ZINC000863971167 589330314 /nfs/dbraw/zinc/33/03/14/589330314.db2.gz HOIAHBFJUZOQJF-SECBINFHSA-N 0 0 219.309 2.178 50 0 BEAARN C=CC(=O)NCC[C@@H]1CSc2ccccc2O1 ZINC000863971466 589330795 /nfs/dbraw/zinc/33/07/95/589330795.db2.gz UJVAHBYHMUOMGD-SNVBAGLBSA-N 0 0 249.335 2.232 50 0 BEAARN COCCc1cccc(-c2nccn2C)c1 ZINC000871596301 589771547 /nfs/dbraw/zinc/77/15/47/589771547.db2.gz FMWINWBPNBLBKY-UHFFFAOYSA-N 0 0 216.284 2.276 50 0 BEAARN CC[C@@H](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC000874435281 590110538 /nfs/dbraw/zinc/11/05/38/590110538.db2.gz QMYZXUFTPQQFIB-MRVPVSSYSA-N 0 0 233.271 2.426 50 0 BEAARN CCc1nn(C)c(CC)c1Br ZINC000132655049 591727918 /nfs/dbraw/zinc/72/79/18/591727918.db2.gz GNQKPOHBAILOPL-UHFFFAOYSA-N 0 0 217.110 2.307 50 0 BEAARN Cc1cc(NC2CCCCC2)c2nncn2n1 ZINC000006701223 635475996 /nfs/dbraw/zinc/47/59/96/635475996.db2.gz DNJJZCVDRDXDSK-UHFFFAOYSA-N 0 0 231.303 2.177 50 0 BEAARN O=C(N[C@@H]1CCC[C@H](F)C1)c1cc(F)c[nH]1 ZINC000335523353 631236515 /nfs/dbraw/zinc/23/65/15/631236515.db2.gz USCUOYHOYWQEHB-IONNQARKSA-N 0 0 228.242 2.164 50 0 BEAARN CO[C@H]1CCC[C@H]1OC(=O)c1c(C)noc1C ZINC000097094952 631270966 /nfs/dbraw/zinc/27/09/66/631270966.db2.gz AMQCBVRGVVVTRK-VHSXEESVSA-N 0 0 239.271 2.016 50 0 BEAARN C=CC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000888093361 635363902 /nfs/dbraw/zinc/36/39/02/635363902.db2.gz WKJPGMPSUCKGHN-CYBMUJFWSA-N 0 0 249.285 2.220 50 0 BEAARN C[C@]1(COc2ccc3c(c2)CCC3)COC(=O)N1 ZINC000888096106 635368428 /nfs/dbraw/zinc/36/84/28/635368428.db2.gz UJJBDSMAABZVHP-AWEZNQCLSA-N 0 0 247.294 2.053 50 0 BEAARN C[C@@]1(COc2ccc3c(c2)CCC3)COC(=O)N1 ZINC000888096109 635368901 /nfs/dbraw/zinc/36/89/01/635368901.db2.gz UJJBDSMAABZVHP-CQSZACIVSA-N 0 0 247.294 2.053 50 0 BEAARN C=CC(=O)Nc1cccnc1-c1ccco1 ZINC000888098373 635376091 /nfs/dbraw/zinc/37/60/91/635376091.db2.gz ATHDJYDGWPSYLW-UHFFFAOYSA-N 0 0 214.224 2.466 50 0 BEAARN CCOC(OCC)(c1ccccc1)N(C)C ZINC000031795199 639889039 /nfs/dbraw/zinc/88/90/39/639889039.db2.gz JTPZSJSJLTUFJS-UHFFFAOYSA-N 0 0 223.316 2.432 50 0 BEAARN CO[C@@H](C)c1ccc(-c2cnc(N)nc2)cc1 ZINC000032513782 641343877 /nfs/dbraw/zinc/34/38/77/641343877.db2.gz WLAKRCALYMFHCG-VIFPVBQESA-N 0 0 229.283 2.433 50 0 BEAARN Cc1ccc(NCc2cnn3cccnc23)cn1 ZINC000032576546 641388312 /nfs/dbraw/zinc/38/83/12/641388312.db2.gz LHLSBASVYYPGFO-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN Cc1cc(-c2ccc(F)c(F)c2)nc(N)n1 ZINC000032580915 641388801 /nfs/dbraw/zinc/38/88/01/641388801.db2.gz TVADNVQPXZTZPU-UHFFFAOYSA-N 0 0 221.210 2.312 50 0 BEAARN CC[C@@H](C)C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043432829 641564136 /nfs/dbraw/zinc/56/41/36/641564136.db2.gz SMPOLFVHBCTPIZ-ZJUUUORDSA-N 0 0 201.310 2.121 50 0 BEAARN COc1cccc(C(=O)N[C@@H]2CCC[C@@H]2F)c1 ZINC000334178369 642336623 /nfs/dbraw/zinc/33/66/23/642336623.db2.gz DCZUPAJTHKXXSS-NWDGAFQWSA-N 0 0 237.274 2.316 50 0 BEAARN Cc1cc(C)c2ccc(CO)nc2c1O ZINC000002470936 642361078 /nfs/dbraw/zinc/36/10/78/642361078.db2.gz AZPSWSOHDKPCMY-UHFFFAOYSA-N 0 0 203.241 2.050 50 0 BEAARN C/C=C\CCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC000098016140 642655016 /nfs/dbraw/zinc/65/50/16/642655016.db2.gz FTRNHXYITFKIOM-WWQCOOJYSA-N 0 0 249.358 2.288 50 0 BEAARN Cc1nnc2ccc(Oc3ccccc3)nn12 ZINC000000434989 642775666 /nfs/dbraw/zinc/77/56/66/642775666.db2.gz PIFDKHPXZALIAY-UHFFFAOYSA-N 0 0 226.239 2.225 50 0 BEAARN CCC(=O)Oc1c(C)cc(C=O)cc1C ZINC000001062838 642814087 /nfs/dbraw/zinc/81/40/87/642814087.db2.gz TUTYVWVZWFOSDS-UHFFFAOYSA-N 0 0 206.241 2.431 50 0 BEAARN CCSc1sc(C=O)cc1C=O ZINC000015636465 642923238 /nfs/dbraw/zinc/92/32/38/642923238.db2.gz BUUHQFNWXZHIFX-UHFFFAOYSA-N 0 0 200.284 2.485 50 0 BEAARN CCc1c(O)nc(SC)n([C@H](C)CC)c1=O ZINC000016513850 642976376 /nfs/dbraw/zinc/97/63/76/642976376.db2.gz SWTDSBPCUKOSGS-SSDOTTSWSA-N 0 0 242.344 2.204 50 0 BEAARN CC/C=C/CC(=O)NC[C@H]1CC[C@H](CO)CC1 ZINC000670459530 644169221 /nfs/dbraw/zinc/16/92/21/644169221.db2.gz YKOLREVTGKVZJA-GXDJRFECSA-N 0 0 239.359 2.258 50 0 BEAARN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 ZINC000074148208 644271296 /nfs/dbraw/zinc/27/12/96/644271296.db2.gz HRHIKSLSMMWSSH-QWRGUYRKSA-N 0 0 211.305 2.020 50 0 BEAARN O=C([O-])[C@@H]1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000074148223 644271424 /nfs/dbraw/zinc/27/14/24/644271424.db2.gz ODFLYTQSBJFZEJ-MNOVXSKESA-N 0 0 211.305 2.020 50 0 BEAARN Cc1noc(C2CC2)c1NCc1ccn(C)n1 ZINC000952964694 644446391 /nfs/dbraw/zinc/44/63/91/644446391.db2.gz WAENOKHWNABKPJ-UHFFFAOYSA-N 0 0 232.287 2.206 50 0 BEAARN CSc1ncc(CNCc2ccco2)n1C ZINC000952976196 644446619 /nfs/dbraw/zinc/44/66/19/644446619.db2.gz DZAFAKLKLHQHRW-UHFFFAOYSA-N 0 0 237.328 2.025 50 0 BEAARN COc1cnc(-c2c(OC)cccc2OC)nc1 ZINC000952985398 644447000 /nfs/dbraw/zinc/44/70/00/644447000.db2.gz ADBKKVSRXZZWNV-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN CCCC[C@H](O)CCC(=O)N1CC=CCC1 ZINC000952991963 644449237 /nfs/dbraw/zinc/44/92/37/644449237.db2.gz GEQYCXNSJIBEKJ-LBPRGKRZSA-N 0 0 225.332 2.106 50 0 BEAARN CCNS(=O)(=O)c1cc(CC)ccc1CC ZINC000390657288 711131048 /nfs/dbraw/zinc/13/10/48/711131048.db2.gz PBEVDTMJKNPBEJ-UHFFFAOYSA-N 0 0 241.356 2.110 50 0 BEAARN CCCCOc1nccc(Br)n1 ZINC000725345809 711663853 /nfs/dbraw/zinc/66/38/53/711663853.db2.gz ZXIJYGPNXOCNJM-UHFFFAOYSA-N 0 0 231.093 2.418 50 0 BEAARN C=CC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000888098271 711755143 /nfs/dbraw/zinc/75/51/43/711755143.db2.gz JMQWLXDHOSGRGT-UHFFFAOYSA-N 0 0 213.280 2.246 50 0 BEAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H]1NCCS1 ZINC000034132324 711951024 /nfs/dbraw/zinc/95/10/24/711951024.db2.gz ZBCLMRHRGNFCJX-CYBMUJFWSA-N 0 0 246.335 2.322 50 0 BEAARN Cn1cc(C=O)c(-c2cccc(F)c2)n1 ZINC000036894413 712513368 /nfs/dbraw/zinc/51/33/68/712513368.db2.gz FDJKFRKFHXBWTI-UHFFFAOYSA-N 0 0 204.204 2.039 50 0 BEAARN C[C@@H]1C[C@H](C(=O)[O-])C[C@H](C2CCCCC2)[NH2+]1 ZINC000757213797 712583105 /nfs/dbraw/zinc/58/31/05/712583105.db2.gz QZHGIDGLKZIHOG-ADEWGFFLSA-N 0 0 225.332 2.408 50 0 BEAARN C=CC(=O)N1CCc2sccc2[C@@H]1C ZINC000038100565 712807982 /nfs/dbraw/zinc/80/79/82/712807982.db2.gz ADHORSODJWZWAM-QMMMGPOBSA-N 0 0 207.298 2.380 50 0 BEAARN CC(=O)O[C@@H]1CCCCC=CCCC1=O ZINC000389502743 1166027889 /nfs/dbraw/zinc/02/78/89/1166027889.db2.gz BITJVXHQZHBJHB-GFCCVEGCSA-N 0 0 210.273 2.398 50 0 BEAARN CCCCSC[C@H](COC)OC(C)=O ZINC000005102375 1166806501 /nfs/dbraw/zinc/80/65/01/1166806501.db2.gz JIBBIJNKUNEDQY-JTQLQIEISA-N 0 0 220.334 2.098 50 0 BEAARN OCC(F)(F)c1ccc(C(F)(F)F)cn1 ZINC000309150080 1167260383 /nfs/dbraw/zinc/26/03/83/1167260383.db2.gz WFBMRUZHFVHKEO-UHFFFAOYSA-N 0 0 227.132 2.185 50 0 BEAARN CC(C)CC(C)(C)NC(=O)CCc1cn[nH]c1 ZINC000820988962 1168441030 /nfs/dbraw/zinc/44/10/30/1168441030.db2.gz UWGWQUWEWKOAJK-UHFFFAOYSA-N 0 0 237.347 2.283 50 0 BEAARN Cc1cccnc1OC[C@@H]1CCCCO1 ZINC000585655147 973926089 /nfs/dbraw/zinc/92/60/89/973926089.db2.gz UVZAVLAVGLNPTC-NSHDSACASA-N 0 0 207.273 2.338 50 0 BEAARN Cc1nc(Cl)cc(N2Cc3cccnc3C2)n1 ZINC000585088805 972126770 /nfs/dbraw/zinc/12/67/70/972126770.db2.gz YQQJVJFIYBCNAM-UHFFFAOYSA-N 0 0 246.701 2.354 50 0 BEAARN CCCCCOCC(=O)NN1CCCC[C@@H]1C ZINC000585127119 972160718 /nfs/dbraw/zinc/16/07/18/972160718.db2.gz QMEPNLBOGPGIDR-LBPRGKRZSA-N 0 0 242.363 2.099 50 0 BEAARN CCC(CC)CN(CC)C(=O)c1n[nH]cc1F ZINC000585135314 972170338 /nfs/dbraw/zinc/17/03/38/972170338.db2.gz BGONCEOHKYVXSS-UHFFFAOYSA-N 0 0 241.310 2.447 50 0 BEAARN Cn1cccc1C(=O)N1CCC(=C(F)F)CC1 ZINC000585130569 972165704 /nfs/dbraw/zinc/16/57/04/972165704.db2.gz VAQQHONMVWEZCS-UHFFFAOYSA-N 0 0 240.253 2.412 50 0 BEAARN Cc1noc2cc(NC(=O)CC(C)(C)O)ccc12 ZINC000585131497 972166179 /nfs/dbraw/zinc/16/61/79/972166179.db2.gz XKZRCMSEONPBIW-UHFFFAOYSA-N 0 0 248.282 2.236 50 0 BEAARN O=C(C1CC1)N1CC[C@H](c2ccsc2)C1 ZINC000675008114 960430536 /nfs/dbraw/zinc/43/05/36/960430536.db2.gz AXPJDJXDGZTFLH-JTQLQIEISA-N 0 0 221.325 2.474 50 0 BEAARN C[C@H]1O[PH]2(O[C@@H]1C)O[C@@H](C)[C@H](C)O2 ZINC000822512883 968524277 /nfs/dbraw/zinc/52/42/77/968524277.db2.gz USZIXCLPMCTBKB-ODANAHCNSA-N 0 0 208.194 2.044 50 0 BEAARN CC[C@H](NC(=O)c1ncc[nH]1)c1cccs1 ZINC000822662156 968531620 /nfs/dbraw/zinc/53/16/20/968531620.db2.gz OAXCAYHWQYUHDW-QMMMGPOBSA-N 0 0 235.312 2.352 50 0 BEAARN CC[C@@H]1C=CCN1C(=O)CSc1ccncc1 ZINC000822699253 968534455 /nfs/dbraw/zinc/53/44/55/968534455.db2.gz KQWFDWGRHQRGLH-LLVKDONJSA-N 0 0 248.351 2.351 50 0 BEAARN COc1ccc(CN(C)Cc2ncon2)c(C)c1 ZINC000824624901 968616376 /nfs/dbraw/zinc/61/63/76/968616376.db2.gz VQZMYKNNFCTFMV-UHFFFAOYSA-N 0 0 247.298 2.019 50 0 BEAARN Cc1nc2cc(-c3cc(C)nc(N)n3)ccc2o1 ZINC000200495642 970112794 /nfs/dbraw/zinc/11/27/94/970112794.db2.gz IRKOEYFCCUZLMF-UHFFFAOYSA-N 0 0 240.266 2.484 50 0 BEAARN Cc1ccc(OC2Cc3ccccc3C2)nn1 ZINC000585651963 973915795 /nfs/dbraw/zinc/91/57/95/973915795.db2.gz SWRMSYUERYTYFP-UHFFFAOYSA-N 0 0 226.279 2.331 50 0 BEAARN c1nc(O[C@@H]2CCSC2)cc(C2CC2)n1 ZINC000585652712 973916874 /nfs/dbraw/zinc/91/68/74/973916874.db2.gz SWLWWSFSWVMENY-SECBINFHSA-N 0 0 222.313 2.238 50 0 BEAARN c1ccc2c(c1)ccnc2O[C@H]1CCOC1 ZINC000585652522 973920649 /nfs/dbraw/zinc/92/06/49/973920649.db2.gz OZRUDBRSHQOWTO-NSHDSACASA-N 0 0 215.252 2.403 50 0 BEAARN C[C@@H](Oc1ncnc2c1CCC2)C1CC1 ZINC000585652820 973924580 /nfs/dbraw/zinc/92/45/80/973924580.db2.gz XENPREPNALTYSC-MRVPVSSYSA-N 0 0 204.273 2.143 50 0 BEAARN Cc1nc(C(=O)N[C@@H]2C=CCCC2)cs1 ZINC000952861056 974051377 /nfs/dbraw/zinc/05/13/77/974051377.db2.gz XKIIMOKOLYFKRM-SECBINFHSA-N 0 0 222.313 2.290 50 0 BEAARN c1c[nH]c(-c2nc([C@H]3CCOC3)cs2)n1 ZINC000952878238 974059224 /nfs/dbraw/zinc/05/92/24/974059224.db2.gz BNQHUWSWPRMFLT-ZETCQYMHSA-N 0 0 221.285 2.037 50 0 BEAARN C=CC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000691916519 984939054 /nfs/dbraw/zinc/93/90/54/984939054.db2.gz GLZXHQWNBCVWIS-NSHDSACASA-N 0 0 223.316 2.171 50 0 BEAARN CCc1c(C)noc1NC(=O)[C@]1(C)CCCO1 ZINC001506405916 988773862 /nfs/dbraw/zinc/77/38/62/988773862.db2.gz LYAYUODMJFUUAO-LBPRGKRZSA-N 0 0 238.287 2.053 50 0 BEAARN CCc1nc(-c2cc(F)ccc2OC)n(C)n1 ZINC001506395128 988775720 /nfs/dbraw/zinc/77/57/20/988775720.db2.gz CVQWCUCSAQXFCM-UHFFFAOYSA-N 0 0 235.262 2.192 50 0 BEAARN CC[C@@H]1C=CCN1C(=O)c1ccc(O)c(F)c1 ZINC001506407922 988776946 /nfs/dbraw/zinc/77/69/46/988776946.db2.gz UBZLIAYEAHDEKI-SNVBAGLBSA-N 0 0 235.258 2.322 50 0 BEAARN Cc1ccc(C)c(-c2nc(N(C)C)n(C)n2)c1 ZINC001506419895 988777169 /nfs/dbraw/zinc/77/71/69/988777169.db2.gz LKROUPSZDBMODC-UHFFFAOYSA-N 0 0 230.315 2.165 50 0 BEAARN CCOC(=O)C(F)(F)c1ncc(C)cc1F ZINC001529596339 990357345 /nfs/dbraw/zinc/35/73/45/990357345.db2.gz LZPFGOHOAZXQBP-UHFFFAOYSA-N 0 0 233.189 2.184 50 0 BEAARN Nc1ccc2c(c1)N(CC1CC1)CCC2 ZINC000051296698 1171892450 /nfs/dbraw/zinc/89/24/50/1171892450.db2.gz NOOJVNJLXOFSQT-UHFFFAOYSA-N 0 0 202.301 2.431 50 0 BEAARN CC(C)OCCOCc1cccc(N)c1 ZINC000019280890 136208425 /nfs/dbraw/zinc/20/84/25/136208425.db2.gz GCMRPPMHAHJIIQ-UHFFFAOYSA-N 0 0 209.289 2.210 50 0 BEAARN Cc1cc(C)nc(N2Cc3ccccc3C2=N)n1 ZINC000012409087 177938249 /nfs/dbraw/zinc/93/82/49/177938249.db2.gz CNIPEVQUYISKFW-UHFFFAOYSA-N 0 0 238.294 2.439 50 0 BEAARN CC[C@@H](C)C(=O)N(CCO)Cc1ccccc1 ZINC000055470299 136210361 /nfs/dbraw/zinc/21/03/61/136210361.db2.gz XNKGXJIQZQDYSW-GFCCVEGCSA-N 0 0 235.327 2.054 50 0 BEAARN CCC(CC)(CC)NC(=O)[C@@H]1CCOC1 ZINC000170638878 168317505 /nfs/dbraw/zinc/31/75/05/168317505.db2.gz BSNFJWLXNNTZBI-SNVBAGLBSA-N 0 0 213.321 2.108 50 0 BEAARN Cc1cc(C=O)c(C)n1-c1nccs1 ZINC000004206745 177949425 /nfs/dbraw/zinc/94/94/25/177949425.db2.gz POOXCXKWGLDXNJ-UHFFFAOYSA-N 0 0 206.270 2.363 50 0 BEAARN Cc1cc(CN(C)C(=O)c2ccccc2F)no1 ZINC000037987227 177969669 /nfs/dbraw/zinc/96/96/69/177969669.db2.gz LTENMIXQAFTDDD-UHFFFAOYSA-N 0 0 248.257 2.394 50 0 BEAARN CCC(CC)(C[NH2+]C1CCCC1)C(=O)[O-] ZINC000129697188 168325865 /nfs/dbraw/zinc/32/58/65/168325865.db2.gz MRFBBGYDZSNNNS-UHFFFAOYSA-N 0 0 213.321 2.410 50 0 BEAARN Cc1cc(CNC(=O)Nc2ccccc2F)on1 ZINC000063813076 178014593 /nfs/dbraw/zinc/01/45/93/178014593.db2.gz JBCCKDXIVBIOIU-UHFFFAOYSA-N 0 0 249.245 2.444 50 0 BEAARN Cc1cc(Cn2ccc(=O)c3sccc32)on1 ZINC000097002798 178073938 /nfs/dbraw/zinc/07/39/38/178073938.db2.gz GEPLKZAJKCXEQV-UHFFFAOYSA-N 0 0 246.291 2.408 50 0 BEAARN O=C(c1ccccc1OC1CC1)N1CCCC1 ZINC000241124144 398160103 /nfs/dbraw/zinc/16/01/03/398160103.db2.gz JFXSWTIBFMNYAD-UHFFFAOYSA-N 0 0 231.295 2.464 50 0 BEAARN Cc1cc(Cn2ccc(C3CC3)n2)no1 ZINC000098020671 178074083 /nfs/dbraw/zinc/07/40/83/178074083.db2.gz GSSFXIXODMXJGZ-UHFFFAOYSA-N 0 0 203.245 2.105 50 0 BEAARN Cc1cc(Cl)ccc1OCCCC(N)=O ZINC000002989459 178068683 /nfs/dbraw/zinc/06/86/83/178068683.db2.gz MRZSRYIVJFRQCE-UHFFFAOYSA-N 0 0 227.691 2.293 50 0 BEAARN Cc1cc(Cl)ccc1OCC(=O)N(C)C ZINC000008719540 178069242 /nfs/dbraw/zinc/06/92/42/178069242.db2.gz QKAWLAQJXKVRFK-UHFFFAOYSA-N 0 0 227.691 2.115 50 0 BEAARN Cc1cc(F)c(F)cc1C(=O)NC1CC1 ZINC000001430142 178075501 /nfs/dbraw/zinc/07/55/01/178075501.db2.gz OCCBHVUQKNZEHH-UHFFFAOYSA-N 0 0 211.211 2.165 50 0 BEAARN Cc1cc(F)cc(C(=O)OCc2cnccn2)c1 ZINC000097010625 178077302 /nfs/dbraw/zinc/07/73/02/178077302.db2.gz XQZAQPRDZRYACB-UHFFFAOYSA-N 0 0 246.241 2.281 50 0 BEAARN Cc1cc(F)ccc1NC(=O)CCn1cccn1 ZINC000020602969 178088723 /nfs/dbraw/zinc/08/87/23/178088723.db2.gz SKRQIJKKESXUPW-UHFFFAOYSA-N 0 0 247.273 2.359 50 0 BEAARN Cc1nn(C)cc1C(=O)Oc1ccc(F)cc1C ZINC000165254061 178090951 /nfs/dbraw/zinc/09/09/51/178090951.db2.gz VJIHRUKKTBXDHY-UHFFFAOYSA-N 0 0 248.257 2.395 50 0 BEAARN Cc1cc(F)ccc1[C@@H]1CC(=O)CCN1 ZINC000090659547 178092376 /nfs/dbraw/zinc/09/23/76/178092376.db2.gz LSNSTGMHGQWUFV-LBPRGKRZSA-N 0 0 207.248 2.128 50 0 BEAARN Cc1cc(N)ccc1OC[C@@H]1CCCO1 ZINC000014630476 178106618 /nfs/dbraw/zinc/10/66/18/178106618.db2.gz NDKKLADFIPZRHF-NSHDSACASA-N 0 0 207.273 2.135 50 0 BEAARN Cc1cc(N)nn1Cc1cccc(Cl)c1 ZINC000002537747 178110953 /nfs/dbraw/zinc/11/09/53/178110953.db2.gz UPONGTHMVCZGEI-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN Cc1cc(N2C[C@@H]3CCC[C@H]3C2)nc(C)n1 ZINC000095410699 178121253 /nfs/dbraw/zinc/12/12/53/178121253.db2.gz XQMSLJCPUKNHFK-RYUDHWBXSA-N 0 0 217.316 2.330 50 0 BEAARN Cc1cc(NC(=O)NCC(F)(F)F)ccn1 ZINC000284640676 178139525 /nfs/dbraw/zinc/13/95/25/178139525.db2.gz LVPGYNCXMGTQPR-UHFFFAOYSA-N 0 0 233.193 2.074 50 0 BEAARN O=C(Nc1nc(C2CC2)no1)C1CCCCC1 ZINC000096407935 187326632 /nfs/dbraw/zinc/32/66/32/187326632.db2.gz HWJZWBXDOXKGSI-UHFFFAOYSA-N 0 0 235.287 2.466 50 0 BEAARN Cc1cc(NC(=O)C2CCCCC2)n(C)n1 ZINC000013596333 178125530 /nfs/dbraw/zinc/12/55/30/178125530.db2.gz QUDVADNSBHWPKL-UHFFFAOYSA-N 0 0 221.304 2.247 50 0 BEAARN Cc1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000064541952 398204429 /nfs/dbraw/zinc/20/44/29/398204429.db2.gz QKWLUDBOKLVXAI-UHFFFAOYSA-N 0 0 230.271 2.040 50 0 BEAARN Cc1cc(NC(=O)CCc2ccccc2F)n[nH]1 ZINC000048602477 178128959 /nfs/dbraw/zinc/12/89/59/178128959.db2.gz LMZXGLMNRYKTFT-UHFFFAOYSA-N 0 0 247.273 2.429 50 0 BEAARN CCC(CC)C(=O)Nc1nnc2ccccn21 ZINC000048797508 168342405 /nfs/dbraw/zinc/34/24/05/168342405.db2.gz RZVZJENYLOEBCW-UHFFFAOYSA-N 0 0 232.287 2.104 50 0 BEAARN CCOC(=O)/C=C\c1ccc(NC(C)=O)cc1 ZINC000096926079 187327415 /nfs/dbraw/zinc/32/74/15/187327415.db2.gz CDEIESVXIPSGGU-TWGQIWQCSA-N 0 0 233.267 2.221 50 0 BEAARN Cc1cc(NC(=O)C[C@@H]2C=CCC2)n(C)n1 ZINC000043839204 178134480 /nfs/dbraw/zinc/13/44/80/178134480.db2.gz DBOJNDJUIJTNJF-SNVBAGLBSA-N 0 0 219.288 2.023 50 0 BEAARN Cc1cc(NC(=O)Cc2ccccc2F)no1 ZINC000013007895 178134571 /nfs/dbraw/zinc/13/45/71/178134571.db2.gz JKEMXQAMPANKKE-UHFFFAOYSA-N 0 0 234.230 2.303 50 0 BEAARN Cc1cc(-c2nc([C@@H]3CCOC3)no2)ccc1O ZINC000096138071 398208627 /nfs/dbraw/zinc/20/86/27/398208627.db2.gz VKZHTWHLLKBDED-SNVBAGLBSA-N 0 0 246.266 2.255 50 0 BEAARN Cc1cc(NC(=O)NCc2ccco2)ccn1 ZINC000096489206 178140447 /nfs/dbraw/zinc/14/04/47/178140447.db2.gz KASSQYLXWVNMTG-UHFFFAOYSA-N 0 0 231.255 2.305 50 0 BEAARN Cc1cc(NC(=O)N[C@@H](C)Cc2ccco2)no1 ZINC000027351401 178141239 /nfs/dbraw/zinc/14/12/39/178141239.db2.gz WUUFWCDIAXOVAQ-QMMMGPOBSA-N 0 0 249.270 2.329 50 0 BEAARN Cc1cc(NC(=O)c2cc(Cl)ccn2)no1 ZINC000036804740 178150242 /nfs/dbraw/zinc/15/02/42/178150242.db2.gz OWILDQARQAKZAX-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN Cc1cc(NC(=O)c2ccno2)n(C(C)C)n1 ZINC000011695218 178151773 /nfs/dbraw/zinc/15/17/73/178151773.db2.gz YJHLZMVCVYVIDX-UHFFFAOYSA-N 0 0 234.259 2.013 50 0 BEAARN Cc1cc(NC(=O)c2cccnc2Cl)no1 ZINC000002561944 178151867 /nfs/dbraw/zinc/15/18/67/178151867.db2.gz BTAPFKORZUBJMA-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN Cc1cc2cccnc2c(NC(N)=O)c1 ZINC000092147906 178152439 /nfs/dbraw/zinc/15/24/39/178152439.db2.gz VOGLZAYYEDUSHI-UHFFFAOYSA-N 0 0 201.229 2.034 50 0 BEAARN Cc1cc(NC(=S)NCc2ccccc2)n[nH]1 ZINC000005267165 178153467 /nfs/dbraw/zinc/15/34/67/178153467.db2.gz ZTRDYMLQSIJPBS-UHFFFAOYSA-N 0 0 246.339 2.205 50 0 BEAARN C=Cc1ccc(C(=O)Nc2ccc(=O)[nH]n2)cc1 ZINC000241795522 187329773 /nfs/dbraw/zinc/32/97/73/187329773.db2.gz RZVORSOQFABSIK-UHFFFAOYSA-N 0 0 241.250 2.078 50 0 BEAARN Cc1cc(NC[C@@H](O)c2ccccc2)nc(C)n1 ZINC000037498685 178164627 /nfs/dbraw/zinc/16/46/27/178164627.db2.gz DMDUUBOPKIZBND-CYBMUJFWSA-N 0 0 243.310 2.239 50 0 BEAARN Cc1cc(NN)ccc1Br ZINC000002533965 178176489 /nfs/dbraw/zinc/17/64/89/178176489.db2.gz NCSVEMZXVDRIRO-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN Cc1cc(NN)c2c(C)ccc(C)c2n1 ZINC000002564406 178177006 /nfs/dbraw/zinc/17/70/06/178177006.db2.gz ISBZBGZAPYDDSL-UHFFFAOYSA-N 0 0 201.273 2.446 50 0 BEAARN Cc1cc(Nc2ccccc2O)ncn1 ZINC000011902770 178193132 /nfs/dbraw/zinc/19/31/32/178193132.db2.gz GXXZYMMRENWIBC-UHFFFAOYSA-N 0 0 201.229 2.234 50 0 BEAARN Cc1cc(Nc2ccccc2C)nc(N)n1 ZINC000039109558 178193677 /nfs/dbraw/zinc/19/36/77/178193677.db2.gz CWDZKVUVOWSBGY-UHFFFAOYSA-N 0 0 214.272 2.419 50 0 BEAARN Cc1cc(=O)[nH]c2cc(-c3ccccc3)nn21 ZINC000009730666 178202120 /nfs/dbraw/zinc/20/21/20/178202120.db2.gz MTSUDGVCYWGTBI-UHFFFAOYSA-N 0 0 225.251 2.410 50 0 BEAARN Cc1nn(C)cc1C(=O)Oc1ccc(F)c(C)c1 ZINC000131521824 178206593 /nfs/dbraw/zinc/20/65/93/178206593.db2.gz AQIJGPXNIMTAKB-UHFFFAOYSA-N 0 0 248.257 2.395 50 0 BEAARN Cc1cc(OCC(=O)Nc2ccccc2)no1 ZINC000008728552 178208367 /nfs/dbraw/zinc/20/83/67/178208367.db2.gz KORSMQZOYKVDJG-UHFFFAOYSA-N 0 0 232.239 2.001 50 0 BEAARN Cc1cc(Oc2ncccn2)ccc1N ZINC000022144784 178215862 /nfs/dbraw/zinc/21/58/62/178215862.db2.gz XYXKJNQJZOFSQJ-UHFFFAOYSA-N 0 0 201.229 2.160 50 0 BEAARN Cc1cc(S(C)(=O)=O)ccc1Br ZINC000085483745 178217007 /nfs/dbraw/zinc/21/70/07/178217007.db2.gz PGHRWRDJUMHHHX-UHFFFAOYSA-N 0 0 249.129 2.161 50 0 BEAARN Cc1csc(Sc2cc(C)nc(N)n2)n1 ZINC000025047317 178219764 /nfs/dbraw/zinc/21/97/64/178219764.db2.gz AJMYPBLFWRHTPH-UHFFFAOYSA-N 0 0 238.341 2.283 50 0 BEAARN CCC(CC)CNC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000071856719 168355418 /nfs/dbraw/zinc/35/54/18/168355418.db2.gz VGILEWGNNCLVKU-PHIMTYICSA-N 0 0 242.363 2.241 50 0 BEAARN C[C@H](N1C(=O)[C@H]2CCCCN2C1=O)C(C)(C)C ZINC000170592457 361762799 /nfs/dbraw/zinc/76/27/99/361762799.db2.gz HNGIKNPBVPKBDR-VHSXEESVSA-N 0 0 238.331 2.238 50 0 BEAARN Cc1nccc(N2CC[C@@H](OC(C)(C)C)C2)n1 ZINC000170603328 361793844 /nfs/dbraw/zinc/79/38/44/361793844.db2.gz CPUOIJLACUAWJW-LLVKDONJSA-N 0 0 235.331 2.179 50 0 BEAARN CCc1cnccc1C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000097113103 398237136 /nfs/dbraw/zinc/23/71/36/398237136.db2.gz PKZUPZILJHEZQJ-ZYHUDNBSSA-N 0 0 249.310 2.368 50 0 BEAARN C[C@H](NC(=O)c1ccoc1)c1ccncc1 ZINC000022622138 538939071 /nfs/dbraw/zinc/93/90/71/538939071.db2.gz ZHEFICOBULQWGQ-VIFPVBQESA-N 0 0 216.240 2.166 50 0 BEAARN Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2 ZINC000012803932 178300916 /nfs/dbraw/zinc/30/09/16/178300916.db2.gz ZFSVZZUTELKOKO-RNFRBKRXSA-N 0 0 219.210 2.499 50 0 BEAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 ZINC000004291312 178300957 /nfs/dbraw/zinc/30/09/57/178300957.db2.gz YWWJNWUVNHXUKS-CAHLUQPWSA-N 0 0 219.210 2.499 50 0 BEAARN Cc1cc2ncn(-c3cnc(N)cn3)c2cc1C ZINC000065454995 178305621 /nfs/dbraw/zinc/30/56/21/178305621.db2.gz YQGAQCLRQVLOKV-UHFFFAOYSA-N 0 0 239.282 2.015 50 0 BEAARN Cc1cc2nccn2cc1Br ZINC000012955618 178305985 /nfs/dbraw/zinc/30/59/85/178305985.db2.gz TYDYYXQQGZNATK-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN Cc1cc2ncn(CC(=O)NC(C)C)c2cc1C ZINC000012546054 178306163 /nfs/dbraw/zinc/30/61/63/178306163.db2.gz GTUVBNVYTLQNPL-UHFFFAOYSA-N 0 0 245.326 2.178 50 0 BEAARN Cc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1C ZINC000017053194 178321991 /nfs/dbraw/zinc/32/19/91/178321991.db2.gz SOWSUFWSTQBPQV-UHFFFAOYSA-N 0 0 239.278 2.306 50 0 BEAARN Cc1ccc(-c2ccc(CO)o2)cc1N ZINC000004414584 178324344 /nfs/dbraw/zinc/32/43/44/178324344.db2.gz JCVNEKSUAUHIEG-UHFFFAOYSA-N 0 0 203.241 2.330 50 0 BEAARN Cc1ccc(-c2nnc(SC(C)C)n2N)cc1 ZINC000011308528 178341377 /nfs/dbraw/zinc/34/13/77/178341377.db2.gz UWJDTMLCIGUPDH-UHFFFAOYSA-N 0 0 248.355 2.468 50 0 BEAARN Cc1ccc(-n2c(CO)nc3ccccc32)nc1 ZINC000065405707 178346285 /nfs/dbraw/zinc/34/62/85/178346285.db2.gz BGNYNGIHDDZLTH-UHFFFAOYSA-N 0 0 239.278 2.221 50 0 BEAARN Cc1ccc(-n2nc3ccccc3nc2=O)cc1 ZINC000034925148 178348237 /nfs/dbraw/zinc/34/82/37/178348237.db2.gz MOJXEVSPGVWYRH-UHFFFAOYSA-N 0 0 237.262 2.089 50 0 BEAARN Cc1ccc(-c2cnc3c(nc[nH]c3=O)n2)cc1 ZINC000017111098 178328820 /nfs/dbraw/zinc/32/88/20/178328820.db2.gz MMZDIWFKJFYRLQ-UHFFFAOYSA-N 0 0 238.250 2.101 50 0 BEAARN Cc1ccc(C(=O)NCc2ccc(C)n2C)o1 ZINC000025318869 538947932 /nfs/dbraw/zinc/94/79/32/538947932.db2.gz FIZAYWMXFIPEOF-UHFFFAOYSA-N 0 0 232.283 2.165 50 0 BEAARN Cc1ccc(/C=C2/SC(=N)NC2=O)cc1 ZINC000003899273 178355342 /nfs/dbraw/zinc/35/53/42/178355342.db2.gz VMIJJMVEQOFALP-RMKNXTFCSA-N 0 0 218.281 2.134 50 0 BEAARN Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1 ZINC000036392832 178370596 /nfs/dbraw/zinc/37/05/96/178370596.db2.gz MSPQVTFFZCBWQX-UHFFFAOYSA-N 0 0 231.295 2.237 50 0 BEAARN C[C@@H]1CN(Cc2nc3ccccc3o2)[C@H](C)CO1 ZINC000036390306 398264880 /nfs/dbraw/zinc/26/48/80/398264880.db2.gz CINYJUGTPIFJQO-GHMZBOCLSA-N 0 0 246.310 2.437 50 0 BEAARN CCC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000032739361 538950509 /nfs/dbraw/zinc/95/05/09/538950509.db2.gz WPLCSLVOOLHWSL-UHFFFAOYSA-N 0 0 209.293 2.066 50 0 BEAARN Cc1ccc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000025264900 178373375 /nfs/dbraw/zinc/37/33/75/178373375.db2.gz BDJCZXGYZWNOTR-STQMWFEESA-N 0 0 247.338 2.287 50 0 BEAARN Cc1ccc(C(=O)N2CCOCC2)cc1Cl ZINC000000317809 178392556 /nfs/dbraw/zinc/39/25/56/178392556.db2.gz MQULYGTWXRVURK-UHFFFAOYSA-N 0 0 239.702 2.121 50 0 BEAARN Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)s1 ZINC000045445921 178398915 /nfs/dbraw/zinc/39/89/15/178398915.db2.gz SPAMNDUEOYVIAW-RKDXNWHRSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1[nH]nc2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000035171213 538956049 /nfs/dbraw/zinc/95/60/49/538956049.db2.gz PUHNLYSHEKARDO-QMMMGPOBSA-N 0 0 233.296 2.254 50 0 BEAARN CCCc1cc(=O)oc2cc(O)ccc12 ZINC000000090155 342673640 /nfs/dbraw/zinc/67/36/40/342673640.db2.gz GQJVOVBBBZRUBH-UHFFFAOYSA-N 0 0 204.225 2.451 50 0 biogenic BEAARN COc1cc(C=O)cc(OC)c1OC(F)F ZINC000000101519 342674541 /nfs/dbraw/zinc/67/45/41/342674541.db2.gz CDASCEKDGKTDOL-UHFFFAOYSA-N 0 0 232.182 2.118 50 0 BEAARN COC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000000119750 342675360 /nfs/dbraw/zinc/67/53/60/342675360.db2.gz CSGQJXYOVIGMRM-SSDOTTSWSA-N 0 0 236.296 2.217 50 0 BEAARN NC(=S)c1cccc(C(F)(F)F)c1 ZINC000000121170 342675379 /nfs/dbraw/zinc/67/53/79/342675379.db2.gz WOJQBHSZMFRQIR-UHFFFAOYSA-N 0 0 205.204 2.340 50 0 BEAARN Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000128301 342676112 /nfs/dbraw/zinc/67/61/12/342676112.db2.gz AHWGBTCRPVCUBP-UHFFFAOYSA-N 0 0 218.300 2.331 50 0 BEAARN CCCc1cc(O)c2c(=O)ccc(OC)c-2o1 ZINC000000133022 342676297 /nfs/dbraw/zinc/67/62/97/342676297.db2.gz IMWHGHMJKDTCCP-UHFFFAOYSA-N 0 0 234.251 2.460 50 0 BEAARN Cc1c(C)c(Br)cc(N)c1N ZINC000000152971 342677425 /nfs/dbraw/zinc/67/74/25/342677425.db2.gz VVZQTDJQVSDRAY-UHFFFAOYSA-N 0 0 215.094 2.230 50 0 BEAARN Nc1ccc(C(=O)c2ccc(N)cc2)cc1 ZINC000000155329 342677641 /nfs/dbraw/zinc/67/76/41/342677641.db2.gz ZLSMCQSGRWNEGX-UHFFFAOYSA-N 0 0 212.252 2.082 50 0 BEAARN COC(=O)c1ccccc1OC(F)(F)F ZINC000000167165 342678669 /nfs/dbraw/zinc/67/86/69/342678669.db2.gz VDJYJSUDISVNRS-UHFFFAOYSA-N 0 0 220.146 2.372 50 0 BEAARN Nc1n[nH]c2nccc(-c3ccccc3)c12 ZINC000000169775 342679025 /nfs/dbraw/zinc/67/90/25/342679025.db2.gz GFHKPJCWBZMRSN-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN CC1(C)C[C@H]([NH2+]Cc2ccco2)CCO1 ZINC000000206878 342680136 /nfs/dbraw/zinc/68/01/36/342680136.db2.gz XRTVEWAIEMXKTN-SNVBAGLBSA-N 0 0 209.289 2.327 50 0 BEAARN CCc1ccc(C(=O)Nc2ccncc2)o1 ZINC000036394815 538960120 /nfs/dbraw/zinc/96/01/20/538960120.db2.gz ZWIBRVQMUGNRHY-UHFFFAOYSA-N 0 0 216.240 2.489 50 0 BEAARN CSc1ccc(NC(=O)CC(C)=O)cc1 ZINC000000241420 342681107 /nfs/dbraw/zinc/68/11/07/342681107.db2.gz YGYHLZKLMLKXGM-UHFFFAOYSA-N 0 0 223.297 2.326 50 0 BEAARN CC(C)(C)S(=O)(=O)c1ccccc1C=O ZINC000000251196 342681352 /nfs/dbraw/zinc/68/13/52/342681352.db2.gz KNWMZVVKEWFVQQ-UHFFFAOYSA-N 0 0 226.297 2.071 50 0 BEAARN CCSc1nnc(-c2ccncc2)o1 ZINC000000522350 342689239 /nfs/dbraw/zinc/68/92/39/342689239.db2.gz PGYGBBSAPUEERV-UHFFFAOYSA-N 0 0 207.258 2.244 50 0 BEAARN O=C(c1ccccc1F)n1nnc2ccccc21 ZINC000000292243 342682342 /nfs/dbraw/zinc/68/23/42/342682342.db2.gz WJCSVEMQQHOHCU-UHFFFAOYSA-N 0 0 241.225 2.259 50 0 BEAARN CCN(CC)C(=O)c1ccc(NC(C)=O)cc1 ZINC000000292619 342682412 /nfs/dbraw/zinc/68/24/12/342682412.db2.gz IAAIAVRNWAMWJG-UHFFFAOYSA-N 0 0 234.299 2.127 50 0 BEAARN Nc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1 ZINC000000297475 342682605 /nfs/dbraw/zinc/68/26/05/342682605.db2.gz XAFOTXWPFVZQAZ-UHFFFAOYSA-N 0 0 224.267 2.394 50 0 BEAARN COc1ccc(OC)c(NC(=O)C(F)(F)F)c1 ZINC000000298126 342682657 /nfs/dbraw/zinc/68/26/57/342682657.db2.gz ICQKZCPTDWBKRC-UHFFFAOYSA-N 0 0 249.188 2.205 50 0 BEAARN CCOc1cccc(OCCn2ccnc2)c1 ZINC000000311171 342683157 /nfs/dbraw/zinc/68/31/57/342683157.db2.gz RBQFONXNKBBJKN-UHFFFAOYSA-N 0 0 232.283 2.361 50 0 BEAARN CN1C(=O)N(c2ccccc2)[C@@](C)(NO)C1(C)C ZINC000000333337 342683693 /nfs/dbraw/zinc/68/36/93/342683693.db2.gz WINOGKPMCTWWGX-CYBMUJFWSA-N 0 0 249.314 2.032 50 0 BEAARN CCC[C@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345810 342684291 /nfs/dbraw/zinc/68/42/91/342684291.db2.gz CUTUPAFHGKKFBU-NWDGAFQWSA-N 0 0 247.294 2.357 50 0 BEAARN Cc1ccc(N2C(=O)c3cccnc3C2=O)cc1 ZINC000000378295 342685459 /nfs/dbraw/zinc/68/54/59/342685459.db2.gz LPUVIOCMIIBQAG-UHFFFAOYSA-N 0 0 238.246 2.191 50 0 BEAARN CCSc1cn[nH]c(=O)c1SCC ZINC000000385720 342685691 /nfs/dbraw/zinc/68/56/91/342685691.db2.gz SQGVATRNLHWTNM-UHFFFAOYSA-N 0 0 216.331 2.406 50 0 BEAARN CCCC(=O)Nc1nnc(SCC)s1 ZINC000000383521 342685708 /nfs/dbraw/zinc/68/57/08/342685708.db2.gz DOECMAUHDYYEDA-UHFFFAOYSA-N 0 0 231.346 2.389 50 0 BEAARN CC1(C)OC[C@@H](COCc2ccccc2)O1 ZINC000000391137 342685793 /nfs/dbraw/zinc/68/57/93/342685793.db2.gz DBFDSKSLTCMIPB-GFCCVEGCSA-N 0 0 222.284 2.355 50 0 in-vitro BEAARN O=C(c1cnc2ncccn12)c1ccc(F)cc1 ZINC000000390175 342685842 /nfs/dbraw/zinc/68/58/42/342685842.db2.gz OICHACXJGJLXSZ-UHFFFAOYSA-N 0 0 241.225 2.099 50 0 BEAARN COC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000000394641 342686149 /nfs/dbraw/zinc/68/61/49/342686149.db2.gz FGMUSNHTKNGVQD-CQSZACIVSA-N 0 0 234.295 2.237 50 0 in-vitro BEAARN COC(COc1cc(C)ccc1C)OC ZINC000000402209 342686572 /nfs/dbraw/zinc/68/65/72/342686572.db2.gz MZVRITJAZLFDCG-UHFFFAOYSA-N 0 0 210.273 2.301 50 0 BEAARN Cc1ccc(CO)cc1I ZINC000000403444 342686666 /nfs/dbraw/zinc/68/66/66/342686666.db2.gz KOJVNDPZLOBKMK-UHFFFAOYSA-N 0 0 248.063 2.092 50 0 BEAARN CC(C)(C)C(=O)NCCc1ccccc1 ZINC000000405601 342686969 /nfs/dbraw/zinc/68/69/69/342686969.db2.gz WFCFPUJKBRCPGJ-UHFFFAOYSA-N 0 0 205.301 2.391 50 0 BEAARN CCc1cc(=O)oc2cc(OC(C)=O)ccc12 ZINC000000407783 342687056 /nfs/dbraw/zinc/68/70/56/342687056.db2.gz KZDVBTUMPAUMTH-UHFFFAOYSA-N 0 0 232.235 2.281 50 0 BEAARN Cc1cc(NC(=O)Cc2ccc(C)cc2)no1 ZINC000000464064 342688015 /nfs/dbraw/zinc/68/80/15/342688015.db2.gz DTKOFJBVANEEOM-UHFFFAOYSA-N 0 0 230.267 2.473 50 0 BEAARN CCN(CC)C(=O)c1ccccc1OC ZINC000000475817 342688232 /nfs/dbraw/zinc/68/82/32/342688232.db2.gz ZFIIUAIWXACNKN-UHFFFAOYSA-N 0 0 207.273 2.177 50 0 BEAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000000475714 342688338 /nfs/dbraw/zinc/68/83/38/342688338.db2.gz AQJZEOHDTJCPHT-NSHDSACASA-N 0 0 239.702 2.135 50 0 BEAARN CCS(=O)(=O)Nc1ccccc1Cl ZINC000000482847 342688642 /nfs/dbraw/zinc/68/86/42/342688642.db2.gz QBOVKMYRQPSAKN-UHFFFAOYSA-N 0 0 219.693 2.102 50 0 BEAARN CCOc1ccc(C(=O)NCC(C)C)cc1 ZINC000000029959 342669941 /nfs/dbraw/zinc/66/99/41/342669941.db2.gz CPABGRYUYDOHDX-UHFFFAOYSA-N 0 0 221.300 2.471 50 0 BEAARN O=C(c1cccnc1)N1CCc2ccccc2C1 ZINC000000029333 342670014 /nfs/dbraw/zinc/67/00/14/342670014.db2.gz JOTBLKTWVIFNIB-UHFFFAOYSA-N 0 0 238.290 2.280 50 0 BEAARN CC[NH+](CC)Cc1ccc(C(=O)[O-])cc1 ZINC000000548526 342690189 /nfs/dbraw/zinc/69/01/89/342690189.db2.gz LXMSVTJNSQLXGX-UHFFFAOYSA-N 0 0 207.273 2.227 50 0 BEAARN CCN(C)c1cc(OC)c(C=O)cc1C ZINC000000611931 342690942 /nfs/dbraw/zinc/69/09/42/342690942.db2.gz MSYSZIGUCJNILR-UHFFFAOYSA-N 0 0 207.273 2.272 50 0 BEAARN CC(C)n1c2ccccc2nc1SCC(N)=O ZINC000000612038 342690967 /nfs/dbraw/zinc/69/09/67/342690967.db2.gz OJWGCXRSGGLEMA-UHFFFAOYSA-N 0 0 249.339 2.195 50 0 BEAARN CCN(C(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000000617266 342690996 /nfs/dbraw/zinc/69/09/96/342690996.db2.gz OLNFELYMHYCLAS-LBPRGKRZSA-N 0 0 219.284 2.219 50 0 BEAARN CCc1cc(=O)oc2cc(OC)cc(OC)c12 ZINC000000615068 342691021 /nfs/dbraw/zinc/69/10/21/342691021.db2.gz UICCABKMDKACLW-UHFFFAOYSA-N 0 0 234.251 2.373 50 0 biogenic BEAARN Cc1cc(C=O)c(C)n1C[C@H]1CCCO1 ZINC000000807207 342693104 /nfs/dbraw/zinc/69/31/04/342693104.db2.gz CUEZTQJBZXOTCJ-GFCCVEGCSA-N 0 0 207.273 2.096 50 0 BEAARN Cc1ccc(CNCc2ccccn2)o1 ZINC000000802051 342693138 /nfs/dbraw/zinc/69/31/38/342693138.db2.gz QJURXNFXHPGCFF-UHFFFAOYSA-N 0 0 202.257 2.273 50 0 BEAARN COC(=O)c1cncn1[C@@H](C)c1ccccc1 ZINC000000869986 342693900 /nfs/dbraw/zinc/69/39/00/342693900.db2.gz FHFZEKYDSVTYLL-JTQLQIEISA-N 0 0 230.267 2.279 50 0 in-man BEAARN O=C(c1ccncc1)N1CCc2ccccc21 ZINC000000902442 342694330 /nfs/dbraw/zinc/69/43/30/342694330.db2.gz MOZWAFVDCLHLAL-UHFFFAOYSA-N 0 0 224.263 2.285 50 0 BEAARN CC(C)(C)CC(C)(C)NC(=O)c1cnccn1 ZINC000001002705 342695601 /nfs/dbraw/zinc/69/56/01/342695601.db2.gz ILWKEIQFKIZJMT-UHFFFAOYSA-N 0 0 235.331 2.421 50 0 BEAARN CCC(CC)NC(=O)Nc1cccc(C(N)=O)c1 ZINC000043715466 168380959 /nfs/dbraw/zinc/38/09/59/168380959.db2.gz BWVMOAZOOPATEW-UHFFFAOYSA-N 0 0 249.314 2.096 50 0 BEAARN O=C1CSC(=O)N1c1ccc(F)cc1 ZINC000001319401 342699030 /nfs/dbraw/zinc/69/90/30/342699030.db2.gz GBIHEFJCOPTIGP-UHFFFAOYSA-N 0 0 211.217 2.026 50 0 BEAARN Cc1ccc(Nc2ncnc3c2cnn3C)cc1 ZINC000001306297 342699067 /nfs/dbraw/zinc/69/90/67/342699067.db2.gz ABBDRVWPQJHQQV-UHFFFAOYSA-N 0 0 239.282 2.415 50 0 BEAARN CSc1nc(Cl)cc(-n2ccnc2C)n1 ZINC000001402793 342699930 /nfs/dbraw/zinc/69/99/30/342699930.db2.gz RXGHOUIFPTVCEE-UHFFFAOYSA-N 0 0 240.719 2.346 50 0 BEAARN CSc1nc(Cl)cc(N2CCCC2)n1 ZINC000001398294 342700159 /nfs/dbraw/zinc/70/01/59/342700159.db2.gz VVDFPCMQZZEGAD-UHFFFAOYSA-N 0 0 229.736 2.452 50 0 BEAARN O=C(COC(=O)C1CC1)c1ccc(Cl)cc1 ZINC000001424522 342700253 /nfs/dbraw/zinc/70/02/53/342700253.db2.gz HSLLRYSCUORLEW-UHFFFAOYSA-N 0 0 238.670 2.476 50 0 BEAARN COc1ccc(Br)c(C=O)c1 ZINC000001410773 342700337 /nfs/dbraw/zinc/70/03/37/342700337.db2.gz XNHKTMIWQCNZST-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN O=C(OCc1ccccc1)N1CCCC(=O)CC1 ZINC000001433381 342700970 /nfs/dbraw/zinc/70/09/70/342700970.db2.gz ORJQXZSDLARZBC-UHFFFAOYSA-N 0 0 247.294 2.378 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)NC1CCCCC1 ZINC000040521108 259316973 /nfs/dbraw/zinc/31/69/73/259316973.db2.gz MEUGAQAANFMQGX-NSHDSACASA-N 0 0 227.348 2.496 50 0 BEAARN O=C([O-])[C@@H]1CC[C@@H](c2ccc(Cl)cc2)[NH2+]1 ZINC000001664702 342707539 /nfs/dbraw/zinc/70/75/39/342707539.db2.gz CIDBGTQSUQXHLM-UWVGGRQHSA-N 0 0 225.675 2.218 50 0 BEAARN COc1cc(C(OC)OC)cc(OC)c1OC ZINC000002379661 342719397 /nfs/dbraw/zinc/71/93/97/342719397.db2.gz PEZMUQHWXSFOIK-UHFFFAOYSA-N 0 0 242.271 2.004 50 0 BEAARN CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000002383353 342719500 /nfs/dbraw/zinc/71/95/00/342719500.db2.gz HAWRMYDVPCGDJW-UHFFFAOYSA-N 0 0 225.704 2.424 50 0 BEAARN CC[NH+](CC)Cc1cc(C=O)ccc1OC ZINC000002385020 342719567 /nfs/dbraw/zinc/71/95/67/342719567.db2.gz NWINHGROAQWCPR-UHFFFAOYSA-N 0 0 221.300 2.350 50 0 BEAARN Nc1nccc(-c2c[nH]c3ccccc23)n1 ZINC000001864765 342713166 /nfs/dbraw/zinc/71/31/66/342713166.db2.gz QNMZWFNNJMGJPU-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN COC(=O)[C@@H](Cc1ccccc1)N[C@@H](C)C(C)C ZINC000002027722 342714661 /nfs/dbraw/zinc/71/46/61/342714661.db2.gz WREZKYXHHHBGNI-GXTWGEPZSA-N 0 0 249.354 2.405 50 0 BEAARN Nc1n[nH]cc1-c1ccc(-n2cccc2)cc1 ZINC000004023912 342740934 /nfs/dbraw/zinc/74/09/34/342740934.db2.gz YRLCEQHJGTXOMA-UHFFFAOYSA-N 0 0 224.267 2.450 50 0 BEAARN CCCCCOc1nc(NC)nc(N)c1N=O ZINC000004085869 342742056 /nfs/dbraw/zinc/74/20/56/342742056.db2.gz YQUWCVXOTLNXCR-UHFFFAOYSA-N 0 0 239.279 2.067 50 0 BEAARN O=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@@H]3[C@H]12 ZINC000004114248 342742642 /nfs/dbraw/zinc/74/26/42/342742642.db2.gz RQWNVDAJWFMNDY-LHAYTIOMSA-N 0 0 244.290 2.229 50 0 BEAARN O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000004203347 342743973 /nfs/dbraw/zinc/74/39/73/342743973.db2.gz NRQNCWGEIKPPEQ-ZFWWWQNUSA-N 0 0 245.322 2.373 50 0 BEAARN CC(C)c1ccc(N2C(=O)[C@H](C)NC2=S)cc1 ZINC000004206694 342744287 /nfs/dbraw/zinc/74/42/87/342744287.db2.gz IJXWITBMUVNKRK-VIFPVBQESA-N 0 0 248.351 2.420 50 0 BEAARN COc1c(C)cc(-c2cc(N)n[nH]2)cc1C ZINC000004234677 342744899 /nfs/dbraw/zinc/74/48/99/342744899.db2.gz NTUULBBCUDDKEQ-UHFFFAOYSA-N 0 0 217.272 2.284 50 0 BEAARN CCCCCNS(=O)(=O)Cc1ccccc1 ZINC000004672340 342750284 /nfs/dbraw/zinc/75/02/84/342750284.db2.gz MQNOUHABCACPEI-UHFFFAOYSA-N 0 0 241.356 2.296 50 0 BEAARN Nc1cc(-c2ccccc2Br)[nH]n1 ZINC000004234692 342744909 /nfs/dbraw/zinc/74/49/09/342744909.db2.gz XXYPTBHOALDDSN-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN O=c1cc(-c2ccccc2)n2ccccc2n1 ZINC000004543001 342748810 /nfs/dbraw/zinc/74/88/10/342748810.db2.gz AHPOSBFUSLSSMD-UHFFFAOYSA-N 0 0 222.247 2.362 50 0 BEAARN CC(C)C[NH+](CCC(=O)[O-])CC(C)C ZINC000002492519 342721359 /nfs/dbraw/zinc/72/13/59/342721359.db2.gz PZOIRSAWTCMFEB-UHFFFAOYSA-N 0 0 201.310 2.075 50 0 BEAARN CC(C)Cc1cc(C(=O)NC(C)C)no1 ZINC000002498093 342721558 /nfs/dbraw/zinc/72/15/58/342721558.db2.gz FANHCJKVODRRPC-UHFFFAOYSA-N 0 0 210.277 2.011 50 0 BEAARN COC(=O)CCSCc1ccco1 ZINC000002510286 342721674 /nfs/dbraw/zinc/72/16/74/342721674.db2.gz MXXNUXUTQGTBGJ-UHFFFAOYSA-N 0 0 200.259 2.076 50 0 BEAARN Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1 ZINC000002534274 342723153 /nfs/dbraw/zinc/72/31/53/342723153.db2.gz QYCFREDMJJEAKC-UHFFFAOYSA-N 0 0 245.179 2.070 50 0 BEAARN O=C(Sc1ccccc1)c1cnccn1 ZINC000002580774 342725516 /nfs/dbraw/zinc/72/55/16/342725516.db2.gz SHGTVHYSQCVCTF-UHFFFAOYSA-N 0 0 216.265 2.409 50 0 BEAARN COc1cc(C)cc(OC)c1CC(C)=O ZINC000002583717 342725810 /nfs/dbraw/zinc/72/58/10/342725810.db2.gz FQGFWCOSJMRGNA-UHFFFAOYSA-N 0 0 208.257 2.144 50 0 BEAARN Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000002650097 342726126 /nfs/dbraw/zinc/72/61/26/342726126.db2.gz WDFYWYRBKLWXFA-UHFFFAOYSA-N 0 0 228.299 2.254 50 0 BEAARN Cc1cc(C)cc(O[C@@H](C)C(=O)NC2CC2)c1 ZINC000002763081 342726986 /nfs/dbraw/zinc/72/69/86/342726986.db2.gz YNJXDIZTZSIOBS-NSHDSACASA-N 0 0 233.311 2.349 50 0 BEAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCO1 ZINC000002773678 342726992 /nfs/dbraw/zinc/72/69/92/342726992.db2.gz VWFLYEWALAAOCG-JSGCOSHPSA-N 0 0 247.338 2.303 50 0 BEAARN Cc1nn(C)cc1CNC(=O)Nc1ccccc1 ZINC000002764642 342727102 /nfs/dbraw/zinc/72/71/02/342727102.db2.gz FFWGCGSWOADSHG-UHFFFAOYSA-N 0 0 244.298 2.050 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)c2cccnc2)cn1 ZINC000041976386 178430454 /nfs/dbraw/zinc/43/04/54/178430454.db2.gz GVEKZARXBWZEQZ-LLVKDONJSA-N 0 0 241.294 2.276 50 0 BEAARN O=C(CCCOc1ccccc1)N1CCCC1 ZINC000002990084 342729237 /nfs/dbraw/zinc/72/92/37/342729237.db2.gz IKLBJBJBLUFPSO-UHFFFAOYSA-N 0 0 233.311 2.468 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000003750160 342737371 /nfs/dbraw/zinc/73/73/71/342737371.db2.gz NNJNATRFOTXJSW-SECBINFHSA-N 0 0 225.313 2.045 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000003749331 342737444 /nfs/dbraw/zinc/73/74/44/342737444.db2.gz VWUDHUJSDJLKJL-LLVKDONJSA-N 0 0 237.274 2.122 50 0 BEAARN Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000003888908 342739072 /nfs/dbraw/zinc/73/90/72/342739072.db2.gz VLUQHVNLXBAREY-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN Clc1nc2nc[nH]c2c(NCc2ccco2)n1 ZINC000004806105 342752297 /nfs/dbraw/zinc/75/22/97/342752297.db2.gz QGUOPVCOXHVPJX-UHFFFAOYSA-N 0 0 249.661 2.211 50 0 BEAARN CCN1CCN(C(=S)c2ccc(C)cc2)CC1 ZINC000004816012 342752615 /nfs/dbraw/zinc/75/26/15/342752615.db2.gz ZRZGVSRBDWZUSP-UHFFFAOYSA-N 0 0 248.395 2.308 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc2nccnc2c1 ZINC000004820301 342752719 /nfs/dbraw/zinc/75/27/19/342752719.db2.gz JGBFNIZIPMBGAU-SECBINFHSA-N 0 0 229.283 2.158 50 0 BEAARN CCCn1c2ccccc2nc1CCCNC=O ZINC000004810380 342752794 /nfs/dbraw/zinc/75/27/94/342752794.db2.gz QFJAAMKSIHOJRY-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN Cc1cc(C)cc(N[C@H]2C=CS(=O)(=O)C2)c1 ZINC000004930412 342754442 /nfs/dbraw/zinc/75/44/42/342754442.db2.gz OYZGGWJYDJWIFJ-NSHDSACASA-N 0 0 237.324 2.026 50 0 BEAARN CC(C)(C)c1ccc(CNS(C)(=O)=O)cc1 ZINC000005293233 342761587 /nfs/dbraw/zinc/76/15/87/342761587.db2.gz QXOZJDMGTCSLPA-UHFFFAOYSA-N 0 0 241.356 2.033 50 0 BEAARN CC[C@@H](C)NC(=O)COc1ccccc1C ZINC000005467655 342764459 /nfs/dbraw/zinc/76/44/59/342764459.db2.gz DOMJGBAMPRIMHZ-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN CC(C)Oc1cc(Br)cnc1N ZINC000146169090 342766948 /nfs/dbraw/zinc/76/69/48/342766948.db2.gz CDRWLIJSRXYATG-UHFFFAOYSA-N 0 0 231.093 2.214 50 0 BEAARN O=C1N=NC=C1NNc1cccc(Cl)c1 ZINC000005626225 342767411 /nfs/dbraw/zinc/76/74/11/342767411.db2.gz WCOWKMHVLHEKOY-UHFFFAOYSA-N 0 0 222.635 2.090 50 0 BEAARN O=C(c1ccccc1)c1cccc2c1NC(=O)C2 ZINC000006095883 342773594 /nfs/dbraw/zinc/77/35/94/342773594.db2.gz APGQYYFHBPQPTL-UHFFFAOYSA-N 0 0 237.258 2.412 50 0 in-vitro BEAARN Cc1[nH]c(=S)n(C[C@H]2CCCO2)c1C ZINC000006498438 342778576 /nfs/dbraw/zinc/77/85/76/342778576.db2.gz FZABHEWHHBCRSU-SECBINFHSA-N 0 0 212.318 2.342 50 0 BEAARN CSCCn1cnc2c(C)cc(C)cc2c1=O ZINC000584889105 342775024 /nfs/dbraw/zinc/77/50/24/342775024.db2.gz FNIXBKFOCCGOOB-UHFFFAOYSA-N 0 0 248.351 2.376 50 0 BEAARN CC(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000006262796 342775783 /nfs/dbraw/zinc/77/57/83/342775783.db2.gz SHXBKNHCKTUWOF-SNVBAGLBSA-N 0 0 249.310 2.291 50 0 BEAARN O=C(CCc1ccccc1)Nc1ccon1 ZINC000004749969 342751481 /nfs/dbraw/zinc/75/14/81/342751481.db2.gz AKAFWHIMZJUZTM-UHFFFAOYSA-N 0 0 216.240 2.246 50 0 BEAARN Cc1cc(C(=O)N2CCc3ccccc32)no1 ZINC000004749803 342751582 /nfs/dbraw/zinc/75/15/82/342751582.db2.gz YOYYKSJJIWTDRV-UHFFFAOYSA-N 0 0 228.251 2.186 50 0 BEAARN Cc1nc(F)ccc1I ZINC000008698197 342802293 /nfs/dbraw/zinc/80/22/93/342802293.db2.gz VTKNZPBQLMGRJH-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 BEAARN CONC(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000071909182 342778874 /nfs/dbraw/zinc/77/88/74/342778874.db2.gz YJJKEYWOCMMEGS-UWVGGRQHSA-N 0 0 214.309 2.063 50 0 BEAARN COc1ccc(NC(=O)C(C)(C)C)nc1 ZINC000008700496 342802584 /nfs/dbraw/zinc/80/25/84/342802584.db2.gz JYRXJINVGXNXFE-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN Nc1cc[nH+]cc1-c1ccc(C(=O)[O-])s1 ZINC000002458591 342780010 /nfs/dbraw/zinc/78/00/10/342780010.db2.gz VELQZAGPJZYXSD-UHFFFAOYSA-N 0 0 220.253 2.091 50 0 BEAARN Cc1ccc(N)c(NC(=O)c2ccco2)c1 ZINC000006702813 342781101 /nfs/dbraw/zinc/78/11/01/342781101.db2.gz VRZLFNROVDGHJQ-UHFFFAOYSA-N 0 0 216.240 2.423 50 0 BEAARN Cc1ccc(F)cc1NC(=O)c1ccnn1C ZINC000006700105 342781139 /nfs/dbraw/zinc/78/11/39/342781139.db2.gz XRXUCYPYQMXTOS-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN CCS(=O)(=O)Nc1ccccc1SC ZINC000006698347 342781142 /nfs/dbraw/zinc/78/11/42/342781142.db2.gz HSAMQPHCCVAWCP-UHFFFAOYSA-N 0 0 231.342 2.170 50 0 BEAARN O=C([O-])c1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000006701105 342781157 /nfs/dbraw/zinc/78/11/57/342781157.db2.gz PNWVLGNZUWAWMN-UHFFFAOYSA-N 0 0 231.251 2.268 50 0 BEAARN CCOc1ccc(C(=O)Nc2nc(C)no2)cc1 ZINC000042762330 342781894 /nfs/dbraw/zinc/78/18/94/342781894.db2.gz HVJNZXYBLGPXOL-UHFFFAOYSA-N 0 0 247.254 2.029 50 0 BEAARN CCn1ccc(C(=O)NC2CCCCCC2)n1 ZINC000006741225 342781978 /nfs/dbraw/zinc/78/19/78/342781978.db2.gz NBUVFAJQDWINTF-UHFFFAOYSA-N 0 0 235.331 2.356 50 0 BEAARN CC(C)N1c2ccc(Cl)cc2C(=O)C1=O ZINC000006883916 342785729 /nfs/dbraw/zinc/78/57/29/342785729.db2.gz VJDOXIIBOHFSTG-UHFFFAOYSA-N 0 0 223.659 2.278 50 0 BEAARN CCC(CC)NS(=O)(=O)c1ccc(F)cc1 ZINC000000456331 168390250 /nfs/dbraw/zinc/39/02/50/168390250.db2.gz ZBEZXXSFQAVEJE-UHFFFAOYSA-N 0 0 245.319 2.293 50 0 BEAARN Cc1cc(=O)oc(C)c1C(=O)N(C)C1CCCC1 ZINC000040489211 538971706 /nfs/dbraw/zinc/97/17/06/538971706.db2.gz USYUNDCQMZKSOY-UHFFFAOYSA-N 0 0 249.310 2.271 50 0 BEAARN CC[C@@H](N[C@H]1CCCSC1)c1noc(C)n1 ZINC000097370984 342788823 /nfs/dbraw/zinc/78/88/23/342788823.db2.gz PMAVAISMEZLQPN-VHSXEESVSA-N 0 0 241.360 2.314 50 0 BEAARN CCOC[C@@H](C)Nc1ccc(-n2ccnn2)cc1 ZINC000097371322 342789028 /nfs/dbraw/zinc/78/90/28/342789028.db2.gz SIJAYNFWHRUPGC-LLVKDONJSA-N 0 0 246.314 2.104 50 0 BEAARN CCCCN(C)C(=O)c1ccccc1N ZINC000020192923 342789709 /nfs/dbraw/zinc/78/97/09/342789709.db2.gz VINJFOCXOLEUAT-UHFFFAOYSA-N 0 0 206.289 2.141 50 0 BEAARN CCc1cnccc1C(=O)OC[C@@]1(C)CCCO1 ZINC000097374832 342790894 /nfs/dbraw/zinc/79/08/94/342790894.db2.gz IIGNKHCYBHDIDZ-CQSZACIVSA-N 0 0 249.310 2.370 50 0 BEAARN Cc1ccc(C)n1NC(=O)c1ccc(N)cc1 ZINC000007468732 342791404 /nfs/dbraw/zinc/79/14/04/342791404.db2.gz JOZYIPLXVUKKCQ-UHFFFAOYSA-N 0 0 229.283 2.071 50 0 BEAARN CCCn1cc(N[C@H](C)c2nnc(C)o2)cn1 ZINC000097377305 342792428 /nfs/dbraw/zinc/79/24/28/342792428.db2.gz REUNMFASQDHZHD-MRVPVSSYSA-N 0 0 235.291 2.158 50 0 BEAARN CC[C@@H]1CCCN(Cc2nc(C)no2)C1 ZINC000048057943 342794041 /nfs/dbraw/zinc/79/40/41/342794041.db2.gz SMMVVYORKSKCJJ-SNVBAGLBSA-N 0 0 209.293 2.000 50 0 BEAARN Cc1ccc(F)cc1NC(=O)[C@H]1CCCO1 ZINC000007970674 342795156 /nfs/dbraw/zinc/79/51/56/342795156.db2.gz UUUCHUKDHBEFOS-LLVKDONJSA-N 0 0 223.247 2.252 50 0 BEAARN COC(=O)Cc1ccccc1OC(=O)C=C(C)C ZINC000071920406 342796786 /nfs/dbraw/zinc/79/67/86/342796786.db2.gz SWHGIJROXSVDKV-UHFFFAOYSA-N 0 0 248.278 2.274 50 0 BEAARN O=C([O-])c1ccc(C[NH2+]C2CCCC2)o1 ZINC000008729690 342803871 /nfs/dbraw/zinc/80/38/71/342803871.db2.gz ZPKVECDHWCVBBJ-UHFFFAOYSA-N 0 0 209.245 2.010 50 0 BEAARN Cc1cc(=O)c2cnn(Cc3cccs3)c2[nH]1 ZINC000044868095 538990121 /nfs/dbraw/zinc/99/01/21/538990121.db2.gz SCPKZFCOFCXSDD-UHFFFAOYSA-N 0 0 245.307 2.143 50 0 BEAARN Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000010011550 342831277 /nfs/dbraw/zinc/83/12/77/342831277.db2.gz GKUCHYKDKUUYTR-UHFFFAOYSA-N 0 0 218.300 2.331 50 0 BEAARN CC(C)c1noc(CN(C)Cc2ccco2)n1 ZINC000042334530 361980672 /nfs/dbraw/zinc/98/06/72/361980672.db2.gz XUBSDHITPCYKJG-UHFFFAOYSA-N 0 0 235.287 2.418 50 0 BEAARN CC(C)(C)Oc1ncc(Br)cn1 ZINC000011804000 342843514 /nfs/dbraw/zinc/84/35/14/342843514.db2.gz UPKQXRBCDUBUTI-UHFFFAOYSA-N 0 0 231.093 2.416 50 0 BEAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(N)=O)c1 ZINC000033433532 178451549 /nfs/dbraw/zinc/45/15/49/178451549.db2.gz MRCQWUYCKMYELL-JTQLQIEISA-N 0 0 221.300 2.371 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N1CCCCC1 ZINC000042467296 362003160 /nfs/dbraw/zinc/00/31/60/362003160.db2.gz MFYGDKMNUGEWDA-NSHDSACASA-N 0 0 213.321 2.060 50 0 BEAARN COc1c(F)cc(N)cc1Br ZINC000012359157 342849900 /nfs/dbraw/zinc/84/99/00/342849900.db2.gz DPALOVXCAGMEBU-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN Cc1cncc(Oc2cccc(CO)c2)n1 ZINC000012370720 342850470 /nfs/dbraw/zinc/85/04/70/342850470.db2.gz DWEAUGVLWACZHO-UHFFFAOYSA-N 0 0 216.240 2.070 50 0 BEAARN CC(C)c1cc(C(=O)N2CCOCC2)cs1 ZINC000012382872 342850846 /nfs/dbraw/zinc/85/08/46/342850846.db2.gz AYVAUJGXRRUBFZ-UHFFFAOYSA-N 0 0 239.340 2.344 50 0 BEAARN C[C@H](CC(N)=S)n1ccc(C(F)(F)F)n1 ZINC000012394416 342851094 /nfs/dbraw/zinc/85/10/94/342851094.db2.gz OYTOGZZACQKRKK-RXMQYKEDSA-N 0 0 237.250 2.139 50 0 BEAARN CC(=O)Nc1nc(-c2ccc(C)cc2)c[nH]1 ZINC000012404666 342851517 /nfs/dbraw/zinc/85/15/17/342851517.db2.gz IEIVKCIFOQKQPY-UHFFFAOYSA-N 0 0 215.256 2.344 50 0 BEAARN CCOc1ccc(/C=C2/SC(=N)NC2=O)cc1 ZINC000012416859 342851828 /nfs/dbraw/zinc/85/18/28/342851828.db2.gz SPTUNPUQTVRNHF-JXMROGBWSA-N 0 0 248.307 2.224 50 0 BEAARN Nc1ccc(-c2nc3ncccc3o2)c(O)c1 ZINC000012475408 342852534 /nfs/dbraw/zinc/85/25/34/342852534.db2.gz NZHMMNKFGWXTQH-UHFFFAOYSA-N 0 0 227.223 2.178 50 0 BEAARN Cc1cc(=O)[nH]c2c1cnn2[C@H](C)C1CC1 ZINC000012505320 342852731 /nfs/dbraw/zinc/85/27/31/342852731.db2.gz CQPZGBQVMVGDQG-MRVPVSSYSA-N 0 0 217.272 2.004 50 0 BEAARN Cc1cc(-c2cccc(F)c2)nc(N)n1 ZINC000032587297 342853212 /nfs/dbraw/zinc/85/32/12/342853212.db2.gz XTRZVZBNXXMLNW-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN Cc1ccnc(NC(=O)c2ccoc2)c1 ZINC000012545877 342854169 /nfs/dbraw/zinc/85/41/69/342854169.db2.gz JTJAMVNDUVARCA-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN O=C(CN1CCCCCC1=O)Nc1ccccc1 ZINC000012945913 342861589 /nfs/dbraw/zinc/86/15/89/342861589.db2.gz ZUWKAWURFBLOTQ-UHFFFAOYSA-N 0 0 246.310 2.028 50 0 BEAARN CC(C)(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000013011527 342863113 /nfs/dbraw/zinc/86/31/13/342863113.db2.gz OTNFLYHJJDZFEQ-UHFFFAOYSA-N 0 0 247.298 2.231 50 0 BEAARN CCc1ccc(C(=O)NCc2ccccn2)o1 ZINC000032824502 342878564 /nfs/dbraw/zinc/87/85/64/342878564.db2.gz CZRABRZNBNNTNZ-UHFFFAOYSA-N 0 0 230.267 2.167 50 0 BEAARN COCc1cc(C=O)ccc1OC(C)C ZINC000013424674 342866711 /nfs/dbraw/zinc/86/67/11/342866711.db2.gz ZLMBCJDHVZKHBI-UHFFFAOYSA-N 0 0 208.257 2.433 50 0 BEAARN Cc1cccc(C(=O)Nc2ccncc2)n1 ZINC000032726497 342870066 /nfs/dbraw/zinc/87/00/66/342870066.db2.gz SDNQCYPLKWGQJW-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1cnc(C(=O)NCCC2CCCC2)cn1 ZINC000032769581 342874162 /nfs/dbraw/zinc/87/41/62/342874162.db2.gz WGHUQWYSDNBKLN-UHFFFAOYSA-N 0 0 233.315 2.095 50 0 BEAARN CCCCC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000032828202 342879156 /nfs/dbraw/zinc/87/91/56/342879156.db2.gz SGBDFPRXICNLJX-LLVKDONJSA-N 0 0 235.331 2.104 50 0 BEAARN CCNC(=O)c1cscc1Br ZINC000059703811 342856694 /nfs/dbraw/zinc/85/66/94/342856694.db2.gz GWWGOKKHTCNPOV-UHFFFAOYSA-N 0 0 234.118 2.260 50 0 BEAARN CCN(CC)C(=O)c1ccn(C2CCCC2)n1 ZINC000032648275 342860293 /nfs/dbraw/zinc/86/02/93/342860293.db2.gz LMVSDIPVMKMQKV-UHFFFAOYSA-N 0 0 235.331 2.480 50 0 BEAARN O=C(c1ccc2c(c1)CCO2)C(F)(F)F ZINC000015442240 342896255 /nfs/dbraw/zinc/89/62/55/342896255.db2.gz DHVXSSMVNLIPPN-UHFFFAOYSA-N 0 0 216.158 2.367 50 0 BEAARN Nc1cc(Cl)cnc1Br ZINC000015441993 342896321 /nfs/dbraw/zinc/89/63/21/342896321.db2.gz AZOXQBMBDRLSCQ-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CO[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000015446224 342896634 /nfs/dbraw/zinc/89/66/34/342896634.db2.gz WZDUMISBAHEPLN-SECBINFHSA-N 0 0 215.293 2.380 50 0 BEAARN O=C(OC1CCOCC1)c1ccccc1 ZINC000097230285 398319439 /nfs/dbraw/zinc/31/94/39/398319439.db2.gz IZHWHGGQMOCNEU-UHFFFAOYSA-N 0 0 206.241 2.022 50 0 BEAARN O=C1CN[C@H](c2ccccc2)c2ccccc2N1 ZINC000014632701 342883335 /nfs/dbraw/zinc/88/33/35/342883335.db2.gz SREVNOABLVPRHG-OAHLLOKOSA-N 0 0 238.290 2.318 50 0 BEAARN c1csc(NCc2ccc3c(c2)OCO3)n1 ZINC000057988861 398321020 /nfs/dbraw/zinc/32/10/20/398321020.db2.gz AIQVXQCQDSSCRT-UHFFFAOYSA-N 0 0 234.280 2.484 50 0 BEAARN Cc1nnc(SCC(=O)c2ccc[nH]2)s1 ZINC000003288021 398321069 /nfs/dbraw/zinc/32/10/69/398321069.db2.gz LXJMQRORAGNRED-UHFFFAOYSA-N 0 0 239.325 2.150 50 0 BEAARN CCCc1ccc(NC(=O)Cn2ccnc2)cc1 ZINC000032860176 342887072 /nfs/dbraw/zinc/88/70/72/342887072.db2.gz YYWVSDHVSGMYHY-UHFFFAOYSA-N 0 0 243.310 2.474 50 0 BEAARN Cn1cnnc1-c1ccccc1Br ZINC000014951161 342889803 /nfs/dbraw/zinc/88/98/03/342889803.db2.gz SKVSYSSOZDCPJI-UHFFFAOYSA-N 0 0 238.088 2.245 50 0 BEAARN COC(=O)c1nc(C)sc1Br ZINC000015021505 342890892 /nfs/dbraw/zinc/89/08/92/342890892.db2.gz FINAXYSMTLVVOE-UHFFFAOYSA-N 0 0 236.090 2.001 50 0 BEAARN CCN(CC)S(=O)(=O)Cc1ccccc1C ZINC000016579182 342912752 /nfs/dbraw/zinc/91/27/52/342912752.db2.gz DXWKKBZDKMJQSG-UHFFFAOYSA-N 0 0 241.356 2.167 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000016604207 342913323 /nfs/dbraw/zinc/91/33/23/342913323.db2.gz NMBNFAXZHORCKQ-AOOOYVTPSA-N 0 0 237.299 2.146 50 0 BEAARN CC(C)c1noc(CSc2nncs2)n1 ZINC000032905134 342900885 /nfs/dbraw/zinc/90/08/85/342900885.db2.gz AEOHUGKKLGNREV-UHFFFAOYSA-N 0 0 242.329 2.337 50 0 BEAARN Cc1cc(C)n2nc(Nc3ccccc3)nc2n1 ZINC000016755317 342915046 /nfs/dbraw/zinc/91/50/46/342915046.db2.gz YKUPYTAFKAUWNK-UHFFFAOYSA-N 0 0 239.282 2.485 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000016941853 342917616 /nfs/dbraw/zinc/91/76/16/342917616.db2.gz ITQDRROTHQYNPY-SNVBAGLBSA-N 0 0 211.305 2.116 50 0 BEAARN ClC1(Cl)C[C@H]1CSc1nc[nH]n1 ZINC000017971912 342930026 /nfs/dbraw/zinc/93/00/26/342930026.db2.gz PYPBYLSMSOWIFU-BYPYZUCNSA-N 0 0 224.116 2.091 50 0 BEAARN Cc1ccc(C)c(C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000032720115 178464548 /nfs/dbraw/zinc/46/45/48/178464548.db2.gz OGSDMJTVBXNFEF-CYBMUJFWSA-N 0 0 247.338 2.148 50 0 BEAARN CONC(=O)c1ccc(-c2ccsc2)nc1C ZINC000069485140 398330035 /nfs/dbraw/zinc/33/00/35/398330035.db2.gz LFKYOWDFCUPKOX-UHFFFAOYSA-N 0 0 248.307 2.410 50 0 BEAARN Cc1noc(C)c1CN(C)c1cc(C)nc(C)n1 ZINC000042098590 398330819 /nfs/dbraw/zinc/33/08/19/398330819.db2.gz WRAHLXVLFXLXFF-UHFFFAOYSA-N 0 0 246.314 2.335 50 0 BEAARN CCN(C)C(=O)CCC(=O)c1cccs1 ZINC000071867704 398331552 /nfs/dbraw/zinc/33/15/52/398331552.db2.gz VGOOFDBUQMFYCP-UHFFFAOYSA-N 0 0 225.313 2.189 50 0 BEAARN CN(C)c1nc(Cl)c2c(n1)CCCC2 ZINC000019090426 342941314 /nfs/dbraw/zinc/94/13/14/342941314.db2.gz GRJAHNHNEFHLDM-UHFFFAOYSA-N 0 0 211.696 2.075 50 0 BEAARN COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000226444211 398339693 /nfs/dbraw/zinc/33/96/93/398339693.db2.gz YYDATWWTDCKDSK-CMPLNLGQSA-N 0 0 249.310 2.163 50 0 BEAARN Clc1ccc(OC[C@H]2CCCCO2)nn1 ZINC000019414694 342948232 /nfs/dbraw/zinc/94/82/32/342948232.db2.gz SDCMVAAMYBGXJT-MRVPVSSYSA-N 0 0 228.679 2.078 50 0 BEAARN Nc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 ZINC000019510807 342950493 /nfs/dbraw/zinc/95/04/93/342950493.db2.gz QQDOAENFCVMKSC-UHFFFAOYSA-N 0 0 217.316 2.460 50 0 BEAARN CC(C)c1ccc(C(=O)Nc2nc[nH]n2)cc1 ZINC000005686018 346902924 /nfs/dbraw/zinc/90/29/24/346902924.db2.gz RKLZGFXLFIHWIK-UHFFFAOYSA-N 0 0 230.271 2.180 50 0 BEAARN Nc1ccc(F)c(NC(=O)c2ccco2)c1 ZINC000019736563 342955315 /nfs/dbraw/zinc/95/53/15/342955315.db2.gz IABXLXRZHNDODH-UHFFFAOYSA-N 0 0 220.203 2.253 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1N ZINC000020220724 342977615 /nfs/dbraw/zinc/97/76/15/342977615.db2.gz PQDRWJUBXAQJQO-SNVBAGLBSA-N 0 0 232.327 2.449 50 0 BEAARN CCOc1cccc(C2CC(=O)CC(=O)C2)c1 ZINC000020177796 342974362 /nfs/dbraw/zinc/97/43/62/342974362.db2.gz BOLYJWFYPQDADU-UHFFFAOYSA-N 0 0 232.279 2.491 50 0 BEAARN Nc1ccccc1CC(=O)Nc1ccccc1 ZINC000020186383 342975281 /nfs/dbraw/zinc/97/52/81/342975281.db2.gz APUJLXFMSZXCOL-UHFFFAOYSA-N 0 0 226.279 2.450 50 0 BEAARN CCc1cc(C(=O)NCCc2ccccc2)no1 ZINC000020191915 342975606 /nfs/dbraw/zinc/97/56/06/342975606.db2.gz VALKGCXNPYSPCA-UHFFFAOYSA-N 0 0 244.294 2.210 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1cccc(F)c1 ZINC000019934858 342963597 /nfs/dbraw/zinc/96/35/97/342963597.db2.gz LCLJLVUPBYOURW-SECBINFHSA-N 0 0 209.264 2.283 50 0 BEAARN Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000020266780 342979577 /nfs/dbraw/zinc/97/95/77/342979577.db2.gz RGIZTSOFIVJUAO-GFCCVEGCSA-N 0 0 219.284 2.044 50 0 biogenic BEAARN Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000020281801 342980251 /nfs/dbraw/zinc/98/02/51/342980251.db2.gz ZHJWNZRJIFJECV-UHFFFAOYSA-N 0 0 210.240 2.003 50 0 BEAARN Nc1cccc(OCc2ccccn2)c1 ZINC000020283720 342980339 /nfs/dbraw/zinc/98/03/39/342980339.db2.gz HGHLFKVWEXFLES-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN COC(=O)COc1c(C)cc(C)cc1C ZINC000020297736 342980868 /nfs/dbraw/zinc/98/08/68/342980868.db2.gz CGCAXIKCGJZCEF-UHFFFAOYSA-N 0 0 208.257 2.164 50 0 BEAARN O=C([O-])[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000020357908 342983514 /nfs/dbraw/zinc/98/35/14/342983514.db2.gz NRHVNQHBVQJPNQ-SNVBAGLBSA-N 0 0 239.702 2.247 50 0 BEAARN COCc1csc(NCCc2ccccc2)n1 ZINC000357248245 187214945 /nfs/dbraw/zinc/21/49/45/187214945.db2.gz LPUQLHSGZLYKFL-UHFFFAOYSA-N 0 0 248.351 2.366 50 0 BEAARN CSCC[C@@H](N)c1nc(-c2ccccc2)no1 ZINC000021040193 343002415 /nfs/dbraw/zinc/00/24/15/343002415.db2.gz QPCBXLRZAVWPMC-SNVBAGLBSA-N 0 0 249.339 2.490 50 0 BEAARN Cc1cc(C(=O)N2CCc3sccc3C2)on1 ZINC000021627958 343016591 /nfs/dbraw/zinc/01/65/91/343016591.db2.gz RGHZCWYTYFIDNT-UHFFFAOYSA-N 0 0 248.307 2.243 50 0 BEAARN Clc1ccc(NCc2ccco2)nn1 ZINC000021818784 343021999 /nfs/dbraw/zinc/02/19/99/343021999.db2.gz NTZYTEKCZDNYLZ-UHFFFAOYSA-N 0 0 209.636 2.335 50 0 BEAARN Cc1cnc(C(=O)N[C@@H](C)c2cccs2)cn1 ZINC000021359018 343011329 /nfs/dbraw/zinc/01/13/29/343011329.db2.gz MPYYMUHXZXBKBC-VIFPVBQESA-N 0 0 247.323 2.338 50 0 BEAARN Cc1c(C)n(C[C@H]2CCCO2)c(C)c1C=O ZINC000022122453 343040313 /nfs/dbraw/zinc/04/03/13/343040313.db2.gz RTCIMGGSQZVQNQ-GFCCVEGCSA-N 0 0 221.300 2.405 50 0 BEAARN Nc1cccc(OCc2ccncc2)c1 ZINC000022164887 343042449 /nfs/dbraw/zinc/04/24/49/343042449.db2.gz SGZDHKIKCCYMKB-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN Cc1ccc(NC(=O)Cn2ccnc2)c(Cl)c1 ZINC000010809299 343031999 /nfs/dbraw/zinc/03/19/99/343031999.db2.gz BBXLVTWCYQZRAV-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN CN(CC(=O)Nc1nccs1)c1ccccc1 ZINC000024988453 343082761 /nfs/dbraw/zinc/08/27/61/343082761.db2.gz ZPAJDONVUIJTNC-UHFFFAOYSA-N 0 0 247.323 2.218 50 0 BEAARN Cc1csc(NC(=O)CC[C@H]2CCCO2)n1 ZINC000048264859 343091542 /nfs/dbraw/zinc/09/15/42/343091542.db2.gz WUCGNZZHWHPCEM-SECBINFHSA-N 0 0 240.328 2.349 50 0 BEAARN Cn1cc(C=O)c(-c2cc(F)ccc2F)n1 ZINC000036894390 343074967 /nfs/dbraw/zinc/07/49/67/343074967.db2.gz YSXXOFSIVDSAQM-UHFFFAOYSA-N 0 0 222.194 2.178 50 0 BEAARN COC(=O)c1noc2ccc(Cl)cc21 ZINC000260489381 343077622 /nfs/dbraw/zinc/07/76/22/343077622.db2.gz PMETVHIDUKZLBF-UHFFFAOYSA-N 0 0 211.604 2.268 50 0 BEAARN CCc1n[nH]c(=S)n1NCc1cccs1 ZINC000026482097 343106042 /nfs/dbraw/zinc/10/60/42/343106042.db2.gz GNPIIXFFWYHUQW-UHFFFAOYSA-N 0 0 240.357 2.308 50 0 BEAARN Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000026522389 343106400 /nfs/dbraw/zinc/10/64/00/343106400.db2.gz FGAZCKUQQRDXOX-UHFFFAOYSA-N 0 0 209.249 2.132 50 0 BEAARN CC(C)(F)c1ncncc1Br ZINC000168231736 259351042 /nfs/dbraw/zinc/35/10/42/259351042.db2.gz FKVHDULMOZWGBA-UHFFFAOYSA-N 0 0 219.057 2.444 50 0 BEAARN CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C ZINC000025725338 343095156 /nfs/dbraw/zinc/09/51/56/343095156.db2.gz SKHPYKHVYFTIOI-JSGCOSHPSA-N 0 0 246.354 2.032 50 0 BEAARN CONC(=O)c1cc(Cl)nc2ccccc21 ZINC000025823546 343096158 /nfs/dbraw/zinc/09/61/58/343096158.db2.gz QPXSKOYMLXFGNL-UHFFFAOYSA-N 0 0 236.658 2.179 50 0 BEAARN C[C@H](NC(=O)CCc1ccco1)c1ccncc1 ZINC000027407865 343116832 /nfs/dbraw/zinc/11/68/32/343116832.db2.gz BTXYYCHKTDKJFC-NSHDSACASA-N 0 0 244.294 2.485 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(F)cn2)co1 ZINC000335796036 344028590 /nfs/dbraw/zinc/02/85/90/344028590.db2.gz QVAUWPRPQSWEKZ-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CCCC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000029852177 343147255 /nfs/dbraw/zinc/14/72/55/343147255.db2.gz IZMXULLPEVGTAJ-UHFFFAOYSA-N 0 0 230.271 2.006 50 0 BEAARN CC(C)CNC(=O)c1ccc(Cl)o1 ZINC000012903908 343125806 /nfs/dbraw/zinc/12/58/06/343125806.db2.gz JQSZOGZINDWRLP-UHFFFAOYSA-N 0 0 201.653 2.319 50 0 BEAARN CC[C@@H](C)[C@@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000028117252 343127282 /nfs/dbraw/zinc/12/72/82/343127282.db2.gz GTKOHXKZTJRLKJ-KOLCDFICSA-N 0 0 238.331 2.490 50 0 BEAARN CCN(CC)C(=O)COc1ccccc1F ZINC000002818157 343138652 /nfs/dbraw/zinc/13/86/52/343138652.db2.gz WCOCXFVBVZNEJD-UHFFFAOYSA-N 0 0 225.263 2.073 50 0 BEAARN CCOc1ccc(OCCn2ccnc2)cc1 ZINC000000312282 343138952 /nfs/dbraw/zinc/13/89/52/343138952.db2.gz SWEBQNQVZFCNPK-UHFFFAOYSA-N 0 0 232.283 2.361 50 0 BEAARN CCOC(=O)c1sc2nc(N)sc2c1C ZINC000039291892 136273272 /nfs/dbraw/zinc/27/32/72/136273272.db2.gz YAIUQFYBZXKIOX-UHFFFAOYSA-N 0 0 242.325 2.425 50 0 BEAARN CCOC(=O)c1csc(-c2ccncc2)n1 ZINC000000172321 187243939 /nfs/dbraw/zinc/24/39/39/187243939.db2.gz YHHRVJSNZLHEPG-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN C[C@@H](c1nnc(N)s1)c1ccccc1 ZINC000000183417 187244098 /nfs/dbraw/zinc/24/40/98/187244098.db2.gz KFYSQDMAJLTMTR-SSDOTTSWSA-N 0 0 205.286 2.272 50 0 BEAARN Cc1c(C=O)cnn1Cc1ccccc1 ZINC000004552582 187247020 /nfs/dbraw/zinc/24/70/20/187247020.db2.gz RXFUVCOXOVBENJ-UHFFFAOYSA-N 0 0 200.241 2.052 50 0 BEAARN Cc1cc(C)n(Cc2noc(-c3ccoc3)n2)n1 ZINC000072293916 343202813 /nfs/dbraw/zinc/20/28/13/343202813.db2.gz XVUFYIKTDOOCAP-UHFFFAOYSA-N 0 0 244.254 2.191 50 0 BEAARN Cc1ccc(OCc2nn3cnnc3s2)cc1 ZINC000004487495 187247189 /nfs/dbraw/zinc/24/71/89/187247189.db2.gz RXIUMQHAGDIELR-UHFFFAOYSA-N 0 0 246.295 2.073 50 0 BEAARN O=C(NC[C@@H]1CCCO1)[C@H]1C[C@H]1c1ccccc1 ZINC000004893360 187247540 /nfs/dbraw/zinc/24/75/40/187247540.db2.gz ZVXNHYZKXBMGBJ-IHRRRGAJSA-N 0 0 245.322 2.085 50 0 BEAARN Nc1ccc(-n2ccnc2)c(C(F)(F)F)c1 ZINC000030834213 343208562 /nfs/dbraw/zinc/20/85/62/343208562.db2.gz NFQIZPWJBUGGII-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN CNC(=O)Nc1nc2c(cccc2OC)s1 ZINC000043578341 343212608 /nfs/dbraw/zinc/21/26/08/343212608.db2.gz GJRFPVHSNYYGPG-UHFFFAOYSA-N 0 0 237.284 2.056 50 0 BEAARN CC(=O)c1cnc(N2CCC(C)CC2)nc1C ZINC000009225461 534934650 /nfs/dbraw/zinc/93/46/50/534934650.db2.gz MYWWBWHLVQIFMW-UHFFFAOYSA-N 0 0 233.315 2.224 50 0 BEAARN O=c1oc2cc(O)cc(O)c2c2c1CCCC2 ZINC000005730946 187248533 /nfs/dbraw/zinc/24/85/33/187248533.db2.gz WHOXXIZKHZBTOB-UHFFFAOYSA-N 0 0 232.235 2.083 50 0 biogenic BEAARN O=C(NC[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000008678589 187248575 /nfs/dbraw/zinc/24/85/75/187248575.db2.gz CEZZBSVTSVXDSB-ZETCQYMHSA-N 0 0 245.731 2.310 50 0 BEAARN CC(=O)[C@H](C)OC(=O)c1cc2ccccc2[nH]1 ZINC000006880278 187248756 /nfs/dbraw/zinc/24/87/56/187248756.db2.gz BVHXANRJPBOUBU-VIFPVBQESA-N 0 0 231.251 2.302 50 0 BEAARN NC(=S)c1cccc(-n2cccc2)c1 ZINC000000118652 187244632 /nfs/dbraw/zinc/24/46/32/187244632.db2.gz LKZUYCBQOPNMNQ-UHFFFAOYSA-N 0 0 202.282 2.112 50 0 BEAARN CC(C)(C)OC(=O)CC(=O)OC(C)(C)C ZINC000001846554 187245048 /nfs/dbraw/zinc/24/50/48/187245048.db2.gz CLPHAYNBNTVRDI-UHFFFAOYSA-N 0 0 216.277 2.060 50 0 BEAARN Cc1ccc(NC(N)=S)c(Br)c1 ZINC000002168505 187245379 /nfs/dbraw/zinc/24/53/79/187245379.db2.gz QBTARKBNALVKLA-UHFFFAOYSA-N 0 0 245.145 2.413 50 0 BEAARN CC(C)(C)CC(=O)Nc1nnc2ccccn21 ZINC000030712701 343195457 /nfs/dbraw/zinc/19/54/57/343195457.db2.gz RHMYUYYIBYITCL-UHFFFAOYSA-N 0 0 232.287 2.104 50 0 BEAARN C1CC1n1nnnc1SC1CCCCC1 ZINC000048285752 343225359 /nfs/dbraw/zinc/22/53/59/343225359.db2.gz PJYCTJKHHSXUGN-UHFFFAOYSA-N 0 0 224.333 2.433 50 0 BEAARN COC(=O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1 ZINC000031829398 343225471 /nfs/dbraw/zinc/22/54/71/343225471.db2.gz FCLCQOSGWAJGBJ-VIFPVBQESA-N 0 0 248.109 2.036 50 0 BEAARN Nc1cc(C(=O)NCc2ccccc2)ccc1F ZINC000032101574 343229650 /nfs/dbraw/zinc/22/96/50/343229650.db2.gz VIBUQMWOLKQQLV-UHFFFAOYSA-N 0 0 244.269 2.338 50 0 BEAARN CCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000013017573 187250921 /nfs/dbraw/zinc/25/09/21/187250921.db2.gz IUJQMXLMEZKLOA-UHFFFAOYSA-N 0 0 248.326 2.077 50 0 BEAARN Nc1nc(Cc2ccc(F)cc2)cs1 ZINC000032627761 343239100 /nfs/dbraw/zinc/23/91/00/343239100.db2.gz KETYJLJOLMTSNE-UHFFFAOYSA-N 0 0 208.261 2.455 50 0 BEAARN Cc1ccc(OCCc2nnc(N)s2)cc1C ZINC000008728426 187249349 /nfs/dbraw/zinc/24/93/49/187249349.db2.gz IZVSWPOKLBAISJ-UHFFFAOYSA-N 0 0 249.339 2.359 50 0 BEAARN CCN(CC)C(=O)c1cccc2cn[nH]c21 ZINC000032779861 343242046 /nfs/dbraw/zinc/24/20/46/343242046.db2.gz PRAVPKIKEFXDLT-UHFFFAOYSA-N 0 0 217.272 2.045 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)n1cccn1 ZINC000032765519 343242365 /nfs/dbraw/zinc/24/23/65/343242365.db2.gz HCKLXEZRWMDWCU-VXGBXAGGSA-N 0 0 235.331 2.235 50 0 BEAARN COC(=O)C1(c2cccc(F)c2)CCC1 ZINC000032907403 343243869 /nfs/dbraw/zinc/24/38/69/343243869.db2.gz YPRODWQXGNUGRM-UHFFFAOYSA-N 0 0 208.232 2.420 50 0 BEAARN CC(C)(C)OC(=O)COc1ccc(O)cc1 ZINC000032911290 343244151 /nfs/dbraw/zinc/24/41/51/343244151.db2.gz YYDLJZGSVBZPSF-UHFFFAOYSA-N 0 0 224.256 2.113 50 0 BEAARN CCOc1nnc(CN2CCC(C)CC2)s1 ZINC000048342127 343245614 /nfs/dbraw/zinc/24/56/14/343245614.db2.gz SYILSQHAQDUUAP-UHFFFAOYSA-N 0 0 241.360 2.169 50 0 BEAARN CC[C@](C(=O)OC)(c1ccccc1)N(C)C ZINC000033506437 343255645 /nfs/dbraw/zinc/25/56/45/343255645.db2.gz FFMPNRLNKDYDJN-CYBMUJFWSA-N 0 0 221.300 2.027 50 0 BEAARN Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000033359137 343252309 /nfs/dbraw/zinc/25/23/09/343252309.db2.gz JKUJRUFZOBDQMP-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN CCOc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000033880826 343262588 /nfs/dbraw/zinc/26/25/88/343262588.db2.gz QMRGPNHBBFGADA-UHFFFAOYSA-N 0 0 230.695 2.050 50 0 BEAARN O=C1CS[C@@H](c2cccc(Cl)c2)N1 ZINC000000192407 343268803 /nfs/dbraw/zinc/26/88/03/343268803.db2.gz LPMOPTZNRGZJAP-VIFPVBQESA-N 0 0 213.689 2.202 50 0 BEAARN O=C1NC(=O)[C@H](c2ccccc2Cl)S1 ZINC000022341661 343272302 /nfs/dbraw/zinc/27/23/02/343272302.db2.gz PTLBFRAQLGBUHZ-ZETCQYMHSA-N 0 0 227.672 2.364 50 0 BEAARN CCOC(=O)c1cc(COC(=O)CC)oc1C ZINC000004006119 343273075 /nfs/dbraw/zinc/27/30/75/343273075.db2.gz DCUYWAMIYHLTEK-UHFFFAOYSA-N 0 0 240.255 2.218 50 0 BEAARN CCC(C)(CC)NC(=O)[C@@H]1CCCn2ccnc21 ZINC000072310186 343273880 /nfs/dbraw/zinc/27/38/80/343273880.db2.gz KYQZNULKIALEHY-LLVKDONJSA-N 0 0 249.358 2.455 50 0 BEAARN CC(C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000016966041 187251756 /nfs/dbraw/zinc/25/17/56/187251756.db2.gz FVKRTZCFYDNUAQ-UHFFFAOYSA-N 0 0 246.310 2.173 50 0 BEAARN CCN1c2ccc(N)cc2OCC(C)(C)C1=O ZINC000034936217 343280868 /nfs/dbraw/zinc/28/08/68/343280868.db2.gz LTAFAYNVUXGNQI-UHFFFAOYSA-N 0 0 234.299 2.040 50 0 BEAARN COc1ncc(Br)c2cc[nH]c21 ZINC000036449266 343319255 /nfs/dbraw/zinc/31/92/55/343319255.db2.gz OHOIMHHFHQTXLQ-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000022047484 187253987 /nfs/dbraw/zinc/25/39/87/187253987.db2.gz PKWJZPGTKVWEBH-UHFFFAOYSA-N 0 0 245.322 2.436 50 0 in-vitro BEAARN O=C1COc2ccc(OC(F)(F)F)cc21 ZINC000036533742 343320364 /nfs/dbraw/zinc/32/03/64/343320364.db2.gz QMLMFMUNQFRPSE-UHFFFAOYSA-N 0 0 218.130 2.160 50 0 BEAARN CCCc1nc([C@@H](N)c2ccccc2)no1 ZINC000036763118 343323838 /nfs/dbraw/zinc/32/38/38/343323838.db2.gz TZZYEMOMCNGQRP-NSHDSACASA-N 0 0 217.272 2.070 50 0 BEAARN Cc1ccoc1-c1nnc2ccc(Cl)nn21 ZINC000036903776 343327165 /nfs/dbraw/zinc/32/71/65/343327165.db2.gz OACABCVUGSJTGW-UHFFFAOYSA-N 0 0 234.646 2.346 50 0 BEAARN Fc1ccc(NCc2csnn2)cc1 ZINC000036901929 343327168 /nfs/dbraw/zinc/32/71/68/343327168.db2.gz WXLQVJPIVVQJMI-UHFFFAOYSA-N 0 0 209.249 2.289 50 0 BEAARN CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000021557351 187254356 /nfs/dbraw/zinc/25/43/56/187254356.db2.gz KPRSAUFJTJAJBF-CQSZACIVSA-N 0 0 249.310 2.291 50 0 BEAARN CC(C)=CCON1C(=O)c2ccccc2C1=O ZINC000035287574 343292526 /nfs/dbraw/zinc/29/25/26/343292526.db2.gz KGOJVJDSRGTZAV-UHFFFAOYSA-N 0 0 231.251 2.180 50 0 BEAARN Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000035696911 343302491 /nfs/dbraw/zinc/30/24/91/343302491.db2.gz PXUUTRRMFPULDM-UHFFFAOYSA-N 0 0 229.161 2.338 50 0 BEAARN CN(C)c1ccc(Nc2ncccc2N)cc1 ZINC000020317773 187253767 /nfs/dbraw/zinc/25/37/67/187253767.db2.gz QAVIXBSTPWGHHU-UHFFFAOYSA-N 0 0 228.299 2.473 50 0 BEAARN COc1cc(Br)cnc1C ZINC000032914741 187256932 /nfs/dbraw/zinc/25/69/32/187256932.db2.gz FAWLCNSUYFGYMF-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN CSCC[C@H]([NH2+]Cc1cccs1)C(=O)[O-] ZINC000037966686 343362382 /nfs/dbraw/zinc/36/23/82/343362382.db2.gz WRFOEJLGMPNNMX-VIFPVBQESA-N 0 0 245.369 2.044 50 0 BEAARN O=C(OCc1ccccc1)N1CCCCC1=O ZINC000038236979 343372950 /nfs/dbraw/zinc/37/29/50/343372950.db2.gz LKGMGCSFOUSKCR-UHFFFAOYSA-N 0 0 233.267 2.336 50 0 BEAARN Cc1nn(Cc2ccccc2)c2ncc(N)cc12 ZINC000038342289 343374372 /nfs/dbraw/zinc/37/43/72/343374372.db2.gz FTWIGHVVRPSPRQ-UHFFFAOYSA-N 0 0 238.294 2.370 50 0 BEAARN CC(=O)n1ncc2c1cccc2Br ZINC000038540325 343376904 /nfs/dbraw/zinc/37/69/04/343376904.db2.gz MZBRBDKGAIDUPD-UHFFFAOYSA-N 0 0 239.072 2.459 50 0 BEAARN CC(C)(C)OC(=O)[C@H]1Cc2ccccc2CN1 ZINC000037729888 343352939 /nfs/dbraw/zinc/35/29/39/343352939.db2.gz KRSUDBIZXKOKGA-GFCCVEGCSA-N 0 0 233.311 2.043 50 0 BEAARN CC(C)(C)OC(=O)c1ccc(F)c(N)c1 ZINC000037729946 343353126 /nfs/dbraw/zinc/35/31/26/343353126.db2.gz GULUDWNZCILTJQ-UHFFFAOYSA-N 0 0 211.236 2.363 50 0 BEAARN Nc1cccc(Sc2ncccn2)c1 ZINC000037668165 187259903 /nfs/dbraw/zinc/25/99/03/187259903.db2.gz RFWDDPIXCCRMSH-UHFFFAOYSA-N 0 0 203.270 2.210 50 0 BEAARN COc1ncc(Br)c2ncccc12 ZINC000035069463 187257487 /nfs/dbraw/zinc/25/74/87/187257487.db2.gz UUDZGUZMINUMOY-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN COc1cc(Br)cc(C=O)c1 ZINC000039075880 343381476 /nfs/dbraw/zinc/38/14/76/343381476.db2.gz GCXBEEKTPWZHJN-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN CC(C)(C)OC(=O)N1C(=O)CC12CCC2 ZINC000039075729 343381533 /nfs/dbraw/zinc/38/15/33/343381533.db2.gz CDFOYUMGBSSYSV-UHFFFAOYSA-N 0 0 211.261 2.077 50 0 BEAARN CC(C)(C)c1ccc2c(c1)[C@@H](CO)CN2 ZINC000071486747 187260391 /nfs/dbraw/zinc/26/03/91/187260391.db2.gz RCOBPXQABAONOJ-SECBINFHSA-N 0 0 205.301 2.486 50 0 BEAARN Clc1c2nc[nH]c2ncc1Br ZINC000039285042 343388465 /nfs/dbraw/zinc/38/84/65/343388465.db2.gz YZFMFJGMTUIRCK-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN COC(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000039348851 343389066 /nfs/dbraw/zinc/38/90/66/343389066.db2.gz HWDNZLIVCGDZFU-CYBMUJFWSA-N 0 0 233.311 2.387 50 0 BEAARN COC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000039348852 343389102 /nfs/dbraw/zinc/38/91/02/343389102.db2.gz HWDNZLIVCGDZFU-ZDUSSCGKSA-N 0 0 233.311 2.387 50 0 BEAARN Cc1cnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)s1 ZINC000335691800 136325345 /nfs/dbraw/zinc/32/53/45/136325345.db2.gz GPBXDMUUTBXLMJ-LDYMZIIASA-N 0 0 238.356 2.455 50 0 BEAARN Cn1c2ccc(C(F)(F)F)cc2nc1CO ZINC000040410240 343402039 /nfs/dbraw/zinc/40/20/39/343402039.db2.gz KFUAFUXUUDKMMQ-UHFFFAOYSA-N 0 0 230.189 2.084 50 0 BEAARN Cc1nnc(NC(=O)Cc2ccc(C)cc2)s1 ZINC000000795320 178524186 /nfs/dbraw/zinc/52/41/86/178524186.db2.gz NXAHPOPREMHRJG-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN Cc1ccc(CC(=S)N2CCOCC2)cc1 ZINC000000225469 178524264 /nfs/dbraw/zinc/52/42/64/178524264.db2.gz MLMDFWXUVWJOQH-UHFFFAOYSA-N 0 0 235.352 2.197 50 0 BEAARN CCCCOCCN1C(=O)c2ccccc2C1=O ZINC000040457232 343404805 /nfs/dbraw/zinc/40/48/05/343404805.db2.gz MIMTYWQRBIETCH-UHFFFAOYSA-N 0 0 247.294 2.099 50 0 BEAARN Cn1cccc1[C@@H]1CCCN1C(=O)C1CC1 ZINC000040473077 343405291 /nfs/dbraw/zinc/40/52/91/343405291.db2.gz VWBMXTVOBAEAJY-LBPRGKRZSA-N 0 0 218.300 2.099 50 0 BEAARN Nc1nc(Cl)cc(NCc2cccs2)n1 ZINC000040497732 343405417 /nfs/dbraw/zinc/40/54/17/343405417.db2.gz GKTACQLTOZRRAG-UHFFFAOYSA-N 0 0 240.719 2.386 50 0 BEAARN Nc1cc(Cl)c(O)c(Br)c1 ZINC000040538090 343406562 /nfs/dbraw/zinc/40/65/62/343406562.db2.gz CFMMTSSIIJSWNG-UHFFFAOYSA-N 0 0 222.469 2.390 50 0 BEAARN CC(C)(C)[C@H](O)CCNC(=O)[C@@H]1CC=CCC1 ZINC000075170578 187260820 /nfs/dbraw/zinc/26/08/20/187260820.db2.gz ONCJMTMBEOKBKK-VXGBXAGGSA-N 0 0 239.359 2.256 50 0 BEAARN CCCNc1ccc(C(=O)OCC)cc1N ZINC000041046077 343413588 /nfs/dbraw/zinc/41/35/88/343413588.db2.gz UARBHZNYQTWNKM-UHFFFAOYSA-N 0 0 222.288 2.267 50 0 BEAARN COC(=O)Cc1nc(C(C)(C)C)cs1 ZINC000041062448 343413932 /nfs/dbraw/zinc/41/39/32/343413932.db2.gz SWLYHOWGTOXBNL-UHFFFAOYSA-N 0 0 213.302 2.156 50 0 BEAARN Cc1cc(C(=O)NC(C)(C)C)nn1C(C)(C)C ZINC000048687824 343419055 /nfs/dbraw/zinc/41/90/55/343419055.db2.gz DTNBEMPDXCUSLT-UHFFFAOYSA-N 0 0 237.347 2.475 50 0 BEAARN CCc1cc(Nc2ccccc2)n2ncnc2n1 ZINC000013365051 362223355 /nfs/dbraw/zinc/22/33/55/362223355.db2.gz FLQKFVDFGLCEMW-UHFFFAOYSA-N 0 0 239.282 2.430 50 0 BEAARN CN(CC1CCOCC1)c1ccc(F)cc1N ZINC000042783219 343453219 /nfs/dbraw/zinc/45/32/19/343453219.db2.gz OBCPYLBHLDHJJL-UHFFFAOYSA-N 0 0 238.306 2.271 50 0 BEAARN Clc1cccc(NC[C@@H]2CCCO2)n1 ZINC000042783997 343453440 /nfs/dbraw/zinc/45/34/40/343453440.db2.gz KYIJOIUDNHQPIL-QMMMGPOBSA-N 0 0 212.680 2.326 50 0 BEAARN CC1(C)OC(=O)C=N[C@H]1c1ccccc1 ZINC000044069401 343491083 /nfs/dbraw/zinc/49/10/83/343491083.db2.gz AISCPSRYGCFAQP-NSHDSACASA-N 0 0 203.241 2.134 50 0 BEAARN Clc1ncnn2cc(Br)cc12 ZINC000044136899 343492920 /nfs/dbraw/zinc/49/29/20/343492920.db2.gz YPMBNJLVUQKSTI-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN O=C(c1ccc(C2OCCO2)s1)C1CC1 ZINC000043210355 343465880 /nfs/dbraw/zinc/46/58/80/343465880.db2.gz CXKVBIRMCPUHPJ-UHFFFAOYSA-N 0 0 224.281 2.386 50 0 BEAARN CC(=O)Nc1cc(Cl)c(F)cc1N ZINC000043224382 343466372 /nfs/dbraw/zinc/46/63/72/343466372.db2.gz MIKYTWIYRCVNRL-UHFFFAOYSA-N 0 0 202.616 2.020 50 0 BEAARN Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000043390088 343469119 /nfs/dbraw/zinc/46/91/19/343469119.db2.gz DEDZKSIRADWAFU-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN CCCc1noc([C@H](C)N2CCCC2)n1 ZINC000044583630 343508451 /nfs/dbraw/zinc/50/84/51/343508451.db2.gz AKNUTJWSARITSS-VIFPVBQESA-N 0 0 209.293 2.179 50 0 BEAARN C[C@H](NC(=O)CC(F)(F)F)c1cccnc1 ZINC000044604020 343509497 /nfs/dbraw/zinc/50/94/97/343509497.db2.gz KSQZTFMCGMXBRJ-ZETCQYMHSA-N 0 0 232.205 2.211 50 0 BEAARN Cc1ccc(SCCN2C(=O)CCC2=O)cc1 ZINC000040159385 187263304 /nfs/dbraw/zinc/26/33/04/187263304.db2.gz OCOMNGZJWGBXRV-UHFFFAOYSA-N 0 0 249.335 2.236 50 0 BEAARN CC(C)(C)C(=O)NCCOc1ccc(F)cc1 ZINC000045926716 343535649 /nfs/dbraw/zinc/53/56/49/343535649.db2.gz HAQMABRAHHTAEI-UHFFFAOYSA-N 0 0 239.290 2.367 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C)o1 ZINC000033024050 178542318 /nfs/dbraw/zinc/54/23/18/178542318.db2.gz HSLOQPQVCFLQIG-LDYMZIIASA-N 0 0 207.273 2.202 50 0 BEAARN CNC(=O)c1ccc(Br)cc1Cl ZINC000048190565 343572221 /nfs/dbraw/zinc/57/22/21/343572221.db2.gz UFLXVXIDMCMCCF-UHFFFAOYSA-N 0 0 248.507 2.462 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N1CCC[C@H](C)C1 ZINC000042377264 187265342 /nfs/dbraw/zinc/26/53/42/187265342.db2.gz HXAONISEVMJLBU-NWDGAFQWSA-N 0 0 227.348 2.306 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N1CCCCCC1 ZINC000042467302 187265353 /nfs/dbraw/zinc/26/53/53/187265353.db2.gz IYDQKYHYRBBHEO-GFCCVEGCSA-N 0 0 227.348 2.450 50 0 BEAARN CC(C)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000049344867 343595900 /nfs/dbraw/zinc/59/59/00/343595900.db2.gz BBWJBXHCZYXMSO-UHFFFAOYSA-N 0 0 243.310 2.145 50 0 BEAARN CCOC(=O)c1c(C)[nH]nc1-c1ccco1 ZINC000072220731 259365928 /nfs/dbraw/zinc/36/59/28/259365928.db2.gz GHDWIWIWOWFCHD-UHFFFAOYSA-N 0 0 220.228 2.155 50 0 BEAARN Cc1ccc(CN(C)c2ncccn2)o1 ZINC000067949139 178557396 /nfs/dbraw/zinc/55/73/96/178557396.db2.gz XNHWEPFHZUHNFY-UHFFFAOYSA-N 0 0 203.245 2.014 50 0 BEAARN Cc1c(Br)cnn1C(F)F ZINC000049585013 343603845 /nfs/dbraw/zinc/60/38/45/343603845.db2.gz SJHCIVMPLSTCOK-UHFFFAOYSA-N 0 0 211.009 2.349 50 0 BEAARN O=C(CN1CCCC1)OCCCc1ccccc1 ZINC000006720268 349827308 /nfs/dbraw/zinc/82/73/08/349827308.db2.gz DIWSCHGCFLMEAP-UHFFFAOYSA-N 0 0 247.338 2.258 50 0 BEAARN C[C@H](C(=O)N[C@@H]1CC=CCC1)C(F)(F)F ZINC000335868381 344035979 /nfs/dbraw/zinc/03/59/79/344035979.db2.gz LAIBLDWERGDKBW-HTQZYQBOSA-N 0 0 221.222 2.410 50 0 BEAARN Fc1cccnc1-n1cc(Br)cn1 ZINC000054701113 343697597 /nfs/dbraw/zinc/69/75/97/343697597.db2.gz HURNEWQPLMWVDA-UHFFFAOYSA-N 0 0 242.051 2.169 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000048056629 187269358 /nfs/dbraw/zinc/26/93/58/187269358.db2.gz BBMPPFABSXELKV-GXFFZTMASA-N 0 0 241.331 2.016 50 0 BEAARN CC(C)CNC(=O)CCOc1ccccc1F ZINC000048090042 187269749 /nfs/dbraw/zinc/26/97/49/187269749.db2.gz GAJLBBMWRYZYHB-UHFFFAOYSA-N 0 0 239.290 2.367 50 0 BEAARN Cc1ccc(CC(=O)NC2CC2)cc1C ZINC000013679126 346962930 /nfs/dbraw/zinc/96/29/30/346962930.db2.gz GIRKCLVEVZWPPS-UHFFFAOYSA-N 0 0 203.285 2.125 50 0 BEAARN CC(C)[C@@](C)(O)CNC(=O)/C=C/c1ccccc1 ZINC000096441127 343738471 /nfs/dbraw/zinc/73/84/71/343738471.db2.gz QSRGEKPTMAIQEZ-FEAKQIBJSA-N 0 0 247.338 2.223 50 0 BEAARN Cc1ccc(CN2CCOCC2)c(C)c1 ZINC000019634840 178576267 /nfs/dbraw/zinc/57/62/67/178576267.db2.gz FMDYPXVOQVNISN-UHFFFAOYSA-N 0 0 205.301 2.136 50 0 BEAARN Cc1ccc2nc(C)c3c(c2c1)O[C@H](CO)C3 ZINC000000519432 346963874 /nfs/dbraw/zinc/96/38/74/346963874.db2.gz JYADFPJSAPOQJR-JTQLQIEISA-N 0 0 229.279 2.147 50 0 biogenic BEAARN CC[C@@H]1CC(=O)NCc2nc3sc(C)cn3c21 ZINC000065371099 187273533 /nfs/dbraw/zinc/27/35/33/187273533.db2.gz BBVCPOHCMAPPQS-MRVPVSSYSA-N 0 0 249.339 2.218 50 0 BEAARN CSC[C@@H](C)C(=O)Nc1cccnc1 ZINC000066757784 187273572 /nfs/dbraw/zinc/27/35/72/187273572.db2.gz BFHOQOBOPWYHHB-MRVPVSSYSA-N 0 0 210.302 2.019 50 0 BEAARN CC(C)N(C(=O)c1ccccn1)C1CC1 ZINC000069377484 187274540 /nfs/dbraw/zinc/27/45/40/187274540.db2.gz HEXHJKZGFWQUJJ-UHFFFAOYSA-N 0 0 204.273 2.095 50 0 BEAARN CC1(C)CC(=O)NC[C@@H]1c1ccccc1 ZINC000238181324 537817403 /nfs/dbraw/zinc/81/74/03/537817403.db2.gz AHVIYUHXIHQZPC-LLVKDONJSA-N 0 0 203.285 2.316 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(N)=S ZINC000070649947 187274455 /nfs/dbraw/zinc/27/44/55/187274455.db2.gz OLZRMIGDZLTJLM-MRVPVSSYSA-N 0 0 244.360 2.062 50 0 BEAARN COc1cc(Br)c2c(c1)NCCO2 ZINC000072319839 187276616 /nfs/dbraw/zinc/27/66/16/187276616.db2.gz VZZDNGDAYDBDAE-UHFFFAOYSA-N 0 0 244.088 2.262 50 0 BEAARN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(N)=O ZINC000334414771 343879232 /nfs/dbraw/zinc/87/92/32/343879232.db2.gz PCNRONVSPLJWEI-PWSUYJOCSA-N 0 0 218.300 2.333 50 0 BEAARN CCc1cc2c(ncnc2NC[C@@H](C)O)s1 ZINC000000549516 347001068 /nfs/dbraw/zinc/00/10/68/347001068.db2.gz JSAXMECIDORRLJ-SSDOTTSWSA-N 0 0 237.328 2.046 50 0 BEAARN O=c1c(F)c(Br)[nH]cc1Cl ZINC000066322929 343865194 /nfs/dbraw/zinc/86/51/94/343865194.db2.gz RDZYIIXPSIKYQE-UHFFFAOYSA-N 0 0 226.432 2.342 50 0 BEAARN FC(F)(F)c1cc(CN2CCCC2)[nH]n1 ZINC000334590356 343894694 /nfs/dbraw/zinc/89/46/94/343894694.db2.gz CWWWMHWGSCYKBT-UHFFFAOYSA-N 0 0 219.210 2.024 50 0 BEAARN CC(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1 ZINC000000027758 343918147 /nfs/dbraw/zinc/91/81/47/343918147.db2.gz JQGBDRJGBHLNFA-UHFFFAOYSA-N 0 0 241.331 2.118 50 0 BEAARN CCO[C@H](C[NH+](C)C)c1ccccc1OC ZINC000005718358 347016818 /nfs/dbraw/zinc/01/68/18/347016818.db2.gz CQCWMZUBRIEDQA-CYBMUJFWSA-N 0 0 223.316 2.334 50 0 BEAARN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)C)cc1 ZINC000019787739 178617795 /nfs/dbraw/zinc/61/77/95/178617795.db2.gz XWDMATYLELXQKK-GFCCVEGCSA-N 0 0 221.300 2.194 50 0 BEAARN CO[C@]1(C)C[C@@H](N(C)c2ncccn2)C1(C)C ZINC000078968200 187281477 /nfs/dbraw/zinc/28/14/77/187281477.db2.gz UDVJYLJFEYMEHN-ZWNOBZJWSA-N 0 0 235.331 2.116 50 0 BEAARN O=C1NC[C@@H](c2cccc(Cl)c2)CO1 ZINC000220167899 344071598 /nfs/dbraw/zinc/07/15/98/344071598.db2.gz BCLUUPDWDWTMMV-MRVPVSSYSA-N 0 0 211.648 2.163 50 0 BEAARN Cc1ccc(CO)cc1NCCC(C)(C)O ZINC000331342033 187358492 /nfs/dbraw/zinc/35/84/92/187358492.db2.gz SXRBGDQMWOLNQU-UHFFFAOYSA-N 0 0 223.316 2.060 50 0 BEAARN CCOC(=O)CCCc1ccc2c(n1)NCCC2 ZINC000145390341 344165454 /nfs/dbraw/zinc/16/54/54/344165454.db2.gz IRKIQOVRUNZTED-UHFFFAOYSA-N 0 0 248.326 2.326 50 0 BEAARN CC(=O)N1CCSC[C@H]1c1ccccc1 ZINC000095397552 187288177 /nfs/dbraw/zinc/28/81/77/187288177.db2.gz YBIQAAKNELYETE-LBPRGKRZSA-N 0 0 221.325 2.323 50 0 BEAARN CN(C)c1cccc(C(=O)Nc2nccs2)c1 ZINC000000060784 344129479 /nfs/dbraw/zinc/12/94/79/344129479.db2.gz SBKQWFMPOJYYRZ-UHFFFAOYSA-N 0 0 247.323 2.461 50 0 BEAARN FC(F)(F)COc1ccnc(Cl)n1 ZINC000051848835 344142026 /nfs/dbraw/zinc/14/20/26/344142026.db2.gz JBEXWWMOEXZMLL-UHFFFAOYSA-N 0 0 212.558 2.071 50 0 BEAARN CC(=O)NCc1cccc(-c2c[nH]nc2C)c1 ZINC000096132180 187288916 /nfs/dbraw/zinc/28/89/16/187288916.db2.gz UBSBJENIEUIGRJ-UHFFFAOYSA-N 0 0 229.283 2.021 50 0 BEAARN CCN1c2ccccc2/C(=C2/CCCN2C)C1=O ZINC000033293339 344158553 /nfs/dbraw/zinc/15/85/53/344158553.db2.gz RCFAPCDITVAPQB-BUHFOSPRSA-N 0 0 242.322 2.490 50 0 BEAARN CC(C)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000000080107 344250607 /nfs/dbraw/zinc/25/06/07/344250607.db2.gz QVTRQASQYBGQIK-LBPRGKRZSA-N 0 0 246.310 2.153 50 0 BEAARN O=C1/C(=C/c2cccnc2)N=C2CCCCCN12 ZINC000011535792 344356303 /nfs/dbraw/zinc/35/63/03/344356303.db2.gz CLQBORRXFVAWIQ-XFXZXTDPSA-N 0 0 241.294 2.237 50 0 BEAARN CCOc1ccccc1-c1nc(C)no1 ZINC000095939870 344358056 /nfs/dbraw/zinc/35/80/56/344358056.db2.gz ORSLFATZQYLUNA-UHFFFAOYSA-N 0 0 204.229 2.444 50 0 BEAARN CCOC(=O)c1ccc(F)c(OCC)c1 ZINC000072233341 344519236 /nfs/dbraw/zinc/51/92/36/344519236.db2.gz BQQNRWLCNYMJIT-UHFFFAOYSA-N 0 0 212.220 2.401 50 0 BEAARN COc1ccc2[nH]c(C)c(C(=O)CN(C)C)c2c1 ZINC000000117548 344550098 /nfs/dbraw/zinc/55/00/98/344550098.db2.gz FOHUFBDYHGPCAD-UHFFFAOYSA-N 0 0 246.310 2.229 50 0 BEAARN CN1C(=O)O[C@](C)(CCc2ccccc2)[C@@]1(C)O ZINC000000117317 344550521 /nfs/dbraw/zinc/55/05/21/344550521.db2.gz MWGBNSPGDQBGNX-ZIAGYGMSSA-N 0 0 249.310 2.168 50 0 BEAARN Nc1nc(-c2nccs2)cc(C(F)(F)F)n1 ZINC000000171353 344592295 /nfs/dbraw/zinc/59/22/95/344592295.db2.gz FQHHUVFTVKGTIR-UHFFFAOYSA-N 0 0 246.217 2.201 50 0 BEAARN CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000047836128 344581997 /nfs/dbraw/zinc/58/19/97/344581997.db2.gz GWAUOLMERGRBPK-UHFFFAOYSA-N 0 0 209.632 2.446 50 0 BEAARN Cc1ccc(F)cc1NC(=O)c1cnccn1 ZINC000001367575 178690982 /nfs/dbraw/zinc/69/09/82/178690982.db2.gz CLGFTVMIGXZMFR-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN CCN1CCC(=O)N(CC)c2ccccc21 ZINC000000268931 344669983 /nfs/dbraw/zinc/66/99/83/344669983.db2.gz RKKSONRMDRIJEX-UHFFFAOYSA-N 0 0 218.300 2.270 50 0 BEAARN CC(C)CC(=O)n1c2ccccc2oc1=O ZINC000000368438 344733133 /nfs/dbraw/zinc/73/31/33/344733133.db2.gz MYLWXBKCKPGBRK-UHFFFAOYSA-N 0 0 219.240 2.281 50 0 BEAARN Cc1cc(=O)oc2cc(Cl)c(O)cc12 ZINC000000383193 344738734 /nfs/dbraw/zinc/73/87/34/344738734.db2.gz MXYDLSRRNPVSCO-UHFFFAOYSA-N 0 0 210.616 2.460 50 0 BEAARN O=C1CO[C@H](c2ccccc2)[C@@H]2CCCCN12 ZINC000000386907 344740873 /nfs/dbraw/zinc/74/08/73/344740873.db2.gz DOMCFYUEFOEBGH-GXTWGEPZSA-N 0 0 231.295 2.139 50 0 BEAARN O=C(Oc1cccnc1)c1ccc2c(c1)OCO2 ZINC000000316352 344693993 /nfs/dbraw/zinc/69/39/93/344693993.db2.gz KNIBWIZNHPJOKQ-UHFFFAOYSA-N 0 0 243.218 2.030 50 0 BEAARN Cc1ccnc(NC(=O)c2ccco2)c1 ZINC000000326853 344699803 /nfs/dbraw/zinc/69/98/03/344699803.db2.gz HOXYHBBSTSWWKC-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CCc1nc(C)c(C(=O)NC(C)C)s1 ZINC000050535261 344706734 /nfs/dbraw/zinc/70/67/34/344706734.db2.gz XVBBMBPNKWYHFW-UHFFFAOYSA-N 0 0 212.318 2.152 50 0 BEAARN CC(C)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000024012962 344708510 /nfs/dbraw/zinc/70/85/10/344708510.db2.gz TVWTXCGVYRYCLS-ZDUSSCGKSA-N 0 0 233.311 2.243 50 0 BEAARN COc1cc(Br)cc(F)c1N ZINC000114872666 187293728 /nfs/dbraw/zinc/29/37/28/187293728.db2.gz CQWYWIXRAJDEKN-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cn1 ZINC000019144992 178751949 /nfs/dbraw/zinc/75/19/49/178751949.db2.gz GTAXJODIRWKEET-UHFFFAOYSA-N 0 0 242.282 2.243 50 0 BEAARN CCOc1oc(=O)n(-c2ccccc2)c1C ZINC000039100524 344848872 /nfs/dbraw/zinc/84/88/72/344848872.db2.gz VRKVMBOQAZADAQ-UHFFFAOYSA-N 0 0 219.240 2.138 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CCOC2)cc1F ZINC000069314038 178748507 /nfs/dbraw/zinc/74/85/07/178748507.db2.gz FLHZEKIJOBHISU-VIFPVBQESA-N 0 0 223.247 2.109 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(O)c1 ZINC000033028969 178750659 /nfs/dbraw/zinc/75/06/59/178750659.db2.gz ROFVSPPLKSBBHZ-IUCAKERBSA-N 0 0 205.257 2.295 50 0 BEAARN CC1(c2ccc(N)cc2Br)COC1 ZINC000116850615 187295010 /nfs/dbraw/zinc/29/50/10/187295010.db2.gz XMHXPUIDXGSNRD-UHFFFAOYSA-N 0 0 242.116 2.319 50 0 BEAARN CC(C)N1CCN(c2ncccc2Cl)CC1 ZINC000200477300 344928772 /nfs/dbraw/zinc/92/87/72/344928772.db2.gz ATVZOLDNLIWNSX-UHFFFAOYSA-N 0 0 239.750 2.265 50 0 BEAARN CC(C)Cn1nccc1NCC1=CCCOC1 ZINC000127815115 187296369 /nfs/dbraw/zinc/29/63/69/187296369.db2.gz SPCCZPLPWFTOPD-UHFFFAOYSA-N 0 0 235.331 2.298 50 0 BEAARN CC(C)(C)c1cc(NC(=O)c2ccncc2)n[nH]1 ZINC000048750433 192082740 /nfs/dbraw/zinc/08/27/40/192082740.db2.gz PEDJVORPPROHFK-UHFFFAOYSA-N 0 0 244.298 2.355 50 0 BEAARN CC(=O)OCC12COC(C)(C[C@@H]1C)C[C@@H]2C ZINC000000273464 187298454 /nfs/dbraw/zinc/29/84/54/187298454.db2.gz XUKHTJZFVQWUKR-WPMGSTCASA-N 0 0 226.316 2.391 50 0 biogenic BEAARN Cc1cc(N)ccc1-n1nc2ccccc2n1 ZINC000004030173 187299733 /nfs/dbraw/zinc/29/97/33/187299733.db2.gz HSNZWHZUWRIUBH-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN OCc1ccc(Cl)nc1C(F)(F)F ZINC000238726181 345120767 /nfs/dbraw/zinc/12/07/67/345120767.db2.gz GYNFXGYJSWPOLK-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN CC(=O)[C@@H](C)n1c(=O)oc2ccc(Cl)cc21 ZINC000000206312 187300558 /nfs/dbraw/zinc/30/05/58/187300558.db2.gz UABIXPPHGAVIHG-ZCFIWIBFSA-N 0 0 239.658 2.398 50 0 BEAARN CC(=O)[C@H](C)Sc1nc(C)nc2c1CCC2 ZINC000012016885 345112377 /nfs/dbraw/zinc/11/23/77/345112377.db2.gz SMHQUZUIJHWASL-QMMMGPOBSA-N 0 0 236.340 2.343 50 0 BEAARN CC(C)COc1nc2ccccc2c(=O)o1 ZINC000000519115 187301690 /nfs/dbraw/zinc/30/16/90/187301690.db2.gz YNXQYNWNMGXJRL-UHFFFAOYSA-N 0 0 219.240 2.223 50 0 biogenic BEAARN CN(C)c1ccc(N2CC(C)(C)C2=O)cc1 ZINC000001387688 187301820 /nfs/dbraw/zinc/30/18/20/187301820.db2.gz OQKOROJKFUJBJZ-UHFFFAOYSA-N 0 0 218.300 2.125 50 0 BEAARN Cc1ccc(NC(=O)C[C@@H]2C[C@H](C)OC2=O)cc1 ZINC000000174704 345391736 /nfs/dbraw/zinc/39/17/36/345391736.db2.gz QWOFJAJSGLHCCH-QWRGUYRKSA-N 0 0 247.294 2.275 50 0 BEAARN Cc1ccc(NC(=O)C[C@@H]2C[C@@H](C)OC2=O)cc1 ZINC000000174702 345391988 /nfs/dbraw/zinc/39/19/88/345391988.db2.gz QWOFJAJSGLHCCH-MNOVXSKESA-N 0 0 247.294 2.275 50 0 BEAARN Cc1ccc2oc(C(=O)N3CCOCC3)cc2c1 ZINC000012274831 187306257 /nfs/dbraw/zinc/30/62/57/187306257.db2.gz PZHANVZHRNJDNQ-UHFFFAOYSA-N 0 0 245.278 2.214 50 0 BEAARN Cc1ncn(Cc2nc3ccccc3[nH]2)c1C ZINC000092856914 345646220 /nfs/dbraw/zinc/64/62/20/345646220.db2.gz QSASUVUHDCLWSA-UHFFFAOYSA-N 0 0 226.283 2.425 50 0 BEAARN CC(C)=CCN1CCc2cnc(C)nc2C1 ZINC000072276641 537903031 /nfs/dbraw/zinc/90/30/31/537903031.db2.gz NNTUZTZYLBSPRQ-UHFFFAOYSA-N 0 0 217.316 2.109 50 0 BEAARN C[C@H](O)C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000095973276 345686958 /nfs/dbraw/zinc/68/69/58/345686958.db2.gz RORHUVKMKCVVSE-RWMBFGLXSA-N 0 0 237.343 2.105 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000012295967 349937852 /nfs/dbraw/zinc/93/78/52/349937852.db2.gz TUBLGTZMWYAROQ-QMMMGPOBSA-N 0 0 248.282 2.145 50 0 BEAARN CC(C)(C)NC(=O)Cc1cccnc1Cl ZINC000218575948 345758851 /nfs/dbraw/zinc/75/88/51/345758851.db2.gz MUKQFGJXXCUEGP-UHFFFAOYSA-N 0 0 226.707 2.192 50 0 BEAARN CCOC(=O)c1c(C(F)(F)F)ccnc1OC ZINC000261133266 345763043 /nfs/dbraw/zinc/76/30/43/345763043.db2.gz LNNYWHJBSXSPJE-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)N[C@@H](CC)CO ZINC000084742940 345925727 /nfs/dbraw/zinc/92/57/27/345925727.db2.gz LUCJWJGLCCSFHO-NEPJUHHUSA-N 0 0 244.379 2.273 50 0 BEAARN Cc1ccc(OC[C@H]2CCCCO2)nc1 ZINC000525820618 323099260 /nfs/dbraw/zinc/09/92/60/323099260.db2.gz PGRMYEJSUQHLGW-LLVKDONJSA-N 0 0 207.273 2.338 50 0 BEAARN Cc1ccc(CN2C(=O)[C@@H]3CCC[C@@H]3C2=O)cc1 ZINC000685939822 537928684 /nfs/dbraw/zinc/92/86/84/537928684.db2.gz UDLOEPVMFDYUQX-BETUJISGSA-N 0 0 243.306 2.280 50 0 BEAARN Cc1ccc2c(c1)nc(C(C)C)c(=O)n2C ZINC000685945183 537935499 /nfs/dbraw/zinc/93/54/99/537935499.db2.gz WBPDRMJURPFJGE-UHFFFAOYSA-N 0 0 216.284 2.365 50 0 BEAARN Nc1ccc(S(=O)(=O)Oc2ccccc2)cc1 ZINC000002160175 187364515 /nfs/dbraw/zinc/36/45/15/187364515.db2.gz KIMBJCVMDVPXRW-UHFFFAOYSA-N 0 0 249.291 2.037 50 0 BEAARN CCc1cc2c([nH]c(C3CC3)nc2=O)s1 ZINC000048860610 346036435 /nfs/dbraw/zinc/03/64/35/346036435.db2.gz GNLXHIJOMOFPFX-UHFFFAOYSA-N 0 0 220.297 2.424 50 0 BEAARN CCC(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000192055452 346080012 /nfs/dbraw/zinc/08/00/12/346080012.db2.gz DXSPGCGMUWFQCX-IUODEOHRSA-N 0 0 249.354 2.142 50 0 BEAARN COc1ccc2nc(C(=O)NC(C)C)ccc2c1 ZINC000144368533 537945650 /nfs/dbraw/zinc/94/56/50/537945650.db2.gz GMYHAVVEWCRUIU-UHFFFAOYSA-N 0 0 244.294 2.382 50 0 BEAARN Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1C ZINC000002890811 179000281 /nfs/dbraw/zinc/00/02/81/179000281.db2.gz JKBPRYXDGDYOBE-UHFFFAOYSA-N 0 0 247.323 2.094 50 0 BEAARN C[C@H](NC(=O)OC(C)(C)C)c1ncc(F)cn1 ZINC000095629780 346251863 /nfs/dbraw/zinc/25/18/63/346251863.db2.gz HNXHBDFOMABPAW-ZETCQYMHSA-N 0 0 241.266 2.201 50 0 BEAARN O=c1[nH]c(Br)cc2ccccc21 ZINC000005491540 346265311 /nfs/dbraw/zinc/26/53/11/346265311.db2.gz UDRWDZCFFOTHRU-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN Cc1cccc(C(=O)OCC(=O)C(C)(C)C)c1N ZINC000007185642 179025681 /nfs/dbraw/zinc/02/56/81/179025681.db2.gz DOQBHARAOAJYFF-UHFFFAOYSA-N 0 0 249.310 2.349 50 0 BEAARN Cc1cccc(C(=O)NCc2cccnc2)c1O ZINC000021788863 179019047 /nfs/dbraw/zinc/01/90/47/179019047.db2.gz QFBOGHGVBGYCHC-UHFFFAOYSA-N 0 0 242.278 2.026 50 0 BEAARN Cc1cccc(C(=O)NCc2ccccn2)c1 ZINC000000341227 179019963 /nfs/dbraw/zinc/01/99/63/179019963.db2.gz YABONXJHSUMWLP-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1cc(=O)[nH]c(NCc2ccccc2Cl)n1 ZINC000005625838 346285721 /nfs/dbraw/zinc/28/57/21/346285721.db2.gz JZKYOBTWXBLCJX-UHFFFAOYSA-N 0 0 249.701 2.344 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)c2ncc[nH]2)c1 ZINC000141050904 179021324 /nfs/dbraw/zinc/02/13/24/179021324.db2.gz OSVVUPHGUOHYLW-JTQLQIEISA-N 0 0 229.283 2.209 50 0 BEAARN Cn1c(=O)cc(-c2ccccc2)[nH]c1=S ZINC000005635089 346291458 /nfs/dbraw/zinc/29/14/58/346291458.db2.gz VFRPINUEYDMPAE-UHFFFAOYSA-N 0 0 218.281 2.110 50 0 BEAARN CCCC(=O)NC[C@H](C)Nc1ccccc1 ZINC000096449975 168551009 /nfs/dbraw/zinc/55/10/09/168551009.db2.gz DIRVTPKZJSISEQ-NSHDSACASA-N 0 0 220.316 2.403 50 0 BEAARN CC(=O)Nc1ccc(OC(F)F)cc1F ZINC000336319850 187367333 /nfs/dbraw/zinc/36/73/33/187367333.db2.gz KJXYLSCXWSKQSJ-UHFFFAOYSA-N 0 0 219.162 2.386 50 0 BEAARN O=C(Nc1cccc(F)c1)c1ccncc1 ZINC000000240853 346400758 /nfs/dbraw/zinc/40/07/58/346400758.db2.gz JZCXAENTXWAPCY-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN CCCC1=C(c2ccccc2)C(=O)NC1 ZINC000000132475 346400874 /nfs/dbraw/zinc/40/08/74/346400874.db2.gz RIPUPTQXGKZTOD-UHFFFAOYSA-N 0 0 201.269 2.370 50 0 BEAARN CC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000000206532 346401721 /nfs/dbraw/zinc/40/17/21/346401721.db2.gz MOHXQYYZAKQQCP-UHFFFAOYSA-N 0 0 219.269 2.164 50 0 BEAARN Cc1occc1C(=O)Nc1cccnc1 ZINC000000173215 346402153 /nfs/dbraw/zinc/40/21/53/346402153.db2.gz QPGUUJDUWZEREU-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Cc1cccc(CN(CCO)CC(F)F)c1 ZINC000191410589 179071303 /nfs/dbraw/zinc/07/13/03/179071303.db2.gz BRWICJSTOKDSKO-UHFFFAOYSA-N 0 0 229.270 2.054 50 0 BEAARN CC(C)C[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000000364043 346415336 /nfs/dbraw/zinc/41/53/36/346415336.db2.gz HOTWSKFALOQVGX-NSHDSACASA-N 0 0 241.356 2.400 50 0 BEAARN CCN(CC)C(=O)Cc1ccc(C)cc1 ZINC000000464749 346419089 /nfs/dbraw/zinc/41/90/89/346419089.db2.gz SSDMMHJEROVTHD-UHFFFAOYSA-N 0 0 205.301 2.406 50 0 BEAARN O=Cc1ccc(OCC(F)F)cc1F ZINC000148759169 346429605 /nfs/dbraw/zinc/42/96/05/346429605.db2.gz QCZKVWQAILMHSH-UHFFFAOYSA-N 0 0 204.147 2.282 50 0 BEAARN Cc1cccc(I)c1CO ZINC000096032774 179110351 /nfs/dbraw/zinc/11/03/51/179110351.db2.gz JGAYRNRJCGKFNO-UHFFFAOYSA-N 0 0 248.063 2.092 50 0 BEAARN CN1CC[C@@H](SCCC(C)(C)C)C1=O ZINC000187557691 346588319 /nfs/dbraw/zinc/58/83/19/346588319.db2.gz OIZFMUFPWFUECV-SECBINFHSA-N 0 0 215.362 2.387 50 0 BEAARN CCCCCCOC(=O)[C@@H](N)CC(C)C ZINC000004644863 346605753 /nfs/dbraw/zinc/60/57/53/346605753.db2.gz QZGWRJHBXISPLO-NSHDSACASA-N 0 0 215.337 2.483 50 0 BEAARN Cc1cccc(NC(=O)CN2CCCCC2)c1 ZINC000004986422 179127280 /nfs/dbraw/zinc/12/72/80/179127280.db2.gz WWLYSYSPXPRMMA-UHFFFAOYSA-N 0 0 232.327 2.419 50 0 BEAARN CCOc1ccccc1N1C(=S)N=NC1C ZINC000006393922 346612884 /nfs/dbraw/zinc/61/28/84/346612884.db2.gz DRHGXOJHZUFNNI-UHFFFAOYSA-N 0 0 235.312 2.263 50 0 BEAARN CCc1ccc2[nH]c3nc(=S)[nH]nc3c2c1 ZINC000006519760 346651399 /nfs/dbraw/zinc/65/13/99/346651399.db2.gz IGWALTZGBYKKEF-UHFFFAOYSA-N 0 0 230.296 2.357 50 0 BEAARN Cc1cccc(NC(=O)N[C@H](C)C(F)(F)F)n1 ZINC000289809574 179136241 /nfs/dbraw/zinc/13/62/41/179136241.db2.gz RDMUVWLJXWSIGJ-SSDOTTSWSA-N 0 0 247.220 2.462 50 0 BEAARN O=c1[nH]cnc2c3cc(Cl)ccc3[nH]c21 ZINC000006694591 346653736 /nfs/dbraw/zinc/65/37/36/346653736.db2.gz SSXWUPPDWMDLLF-UHFFFAOYSA-N 0 0 219.631 2.058 50 0 BEAARN Cc1cccc(NC(=O)c2cccnc2)n1 ZINC000006815528 346655934 /nfs/dbraw/zinc/65/59/34/346655934.db2.gz VYMSCFQPFSTNRJ-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1cccc(NC(=O)[C@@H](C)n2cncn2)c1C ZINC000032760981 179137210 /nfs/dbraw/zinc/13/72/10/179137210.db2.gz RTDUJAYKNPPHGW-LLVKDONJSA-N 0 0 244.298 2.095 50 0 BEAARN Cc1cccc(NC(=O)C[C@@H]2C[C@H](C)OC2=O)c1 ZINC000000207987 179129497 /nfs/dbraw/zinc/12/94/97/179129497.db2.gz FCIGZCIFYFVMOK-QWRGUYRKSA-N 0 0 247.294 2.275 50 0 BEAARN Cc1cccc(NC(=O)N2CCOCC2)c1C ZINC000000152039 179131750 /nfs/dbraw/zinc/13/17/50/179131750.db2.gz DFBRPDPYZOCNCT-UHFFFAOYSA-N 0 0 234.299 2.168 50 0 BEAARN COc1ccc(-c2cc[nH]n2)cc1NC(C)=O ZINC000584904623 346641376 /nfs/dbraw/zinc/64/13/76/346641376.db2.gz DGLMDZUZAMIZEE-UHFFFAOYSA-N 0 0 231.255 2.044 50 0 BEAARN Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000005755550 179138977 /nfs/dbraw/zinc/13/89/77/179138977.db2.gz MGUKYJNVUXCTSZ-NSHDSACASA-N 0 0 205.257 2.113 50 0 BEAARN CCCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000038425 168563165 /nfs/dbraw/zinc/56/31/65/168563165.db2.gz RNUZJUNYRKTBMN-UHFFFAOYSA-N 0 0 221.256 2.212 50 0 BEAARN CCCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009141984 346713760 /nfs/dbraw/zinc/71/37/60/346713760.db2.gz OXVSTNWLYUDQLX-UHFFFAOYSA-N 0 0 247.298 2.375 50 0 BEAARN Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000072517684 346727105 /nfs/dbraw/zinc/72/71/05/346727105.db2.gz TVLNDWZNEQRFPH-OCCSQVGLSA-N 0 0 246.354 2.065 50 0 BEAARN Cc1cccc(NC[C@H](O)C(C)(C)C)n1 ZINC000097096688 179147876 /nfs/dbraw/zinc/14/78/76/179147876.db2.gz QEMIHYCQTMSICH-JTQLQIEISA-N 0 0 208.305 2.209 50 0 BEAARN Cc1cccc(OCCO[C@H]2CCCCO2)n1 ZINC000194720560 179169456 /nfs/dbraw/zinc/16/94/56/179169456.db2.gz PCYFGDKXLAXBFJ-ZDUSSCGKSA-N 0 0 237.299 2.312 50 0 BEAARN Cc1cccc(OCCc2nnc(N)s2)c1C ZINC000000808208 179169706 /nfs/dbraw/zinc/16/97/06/179169706.db2.gz IWMMMLSLFRKQMB-UHFFFAOYSA-N 0 0 249.339 2.359 50 0 BEAARN Cc1cccc(OCCN2CCOCC2)c1C ZINC000019638035 179165704 /nfs/dbraw/zinc/16/57/04/179165704.db2.gz GNGXKQMVTQITME-UHFFFAOYSA-N 0 0 235.327 2.014 50 0 BEAARN CCN(CC)S(=O)(=O)Cc1cccc(C)c1 ZINC000016578372 347193995 /nfs/dbraw/zinc/19/39/95/347193995.db2.gz GLJGSSXTIIPVMJ-UHFFFAOYSA-N 0 0 241.356 2.167 50 0 BEAARN Cc1cnc(NC(=O)CCn2cccc2)s1 ZINC000073707574 347252080 /nfs/dbraw/zinc/25/20/80/347252080.db2.gz GAORZLPFUBJLIV-UHFFFAOYSA-N 0 0 235.312 2.282 50 0 BEAARN Cc1[nH]nc2cncc(Br)c12 ZINC000206019777 347214277 /nfs/dbraw/zinc/21/42/77/347214277.db2.gz OLAJKJUGGXUVJS-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN CCCC(=O)OC/C=C/COC(=O)CCC ZINC000038845465 168567474 /nfs/dbraw/zinc/56/74/74/168567474.db2.gz OGJKSGMVEHGEKF-AATRIKPKSA-N 0 0 228.288 2.229 50 0 BEAARN Nc1cccc(-n2nc3ccccc3n2)c1 ZINC000005741305 347245720 /nfs/dbraw/zinc/24/57/20/347245720.db2.gz FHDFNGOPTYQWAI-UHFFFAOYSA-N 0 0 210.240 2.003 50 0 BEAARN CCCC(=O)Nc1nnc(-c2ccncc2)s1 ZINC000000306662 168568703 /nfs/dbraw/zinc/56/87/03/168568703.db2.gz ORSSKZYXWAITQM-UHFFFAOYSA-N 0 0 248.311 2.339 50 0 BEAARN Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1 ZINC000018066121 347277983 /nfs/dbraw/zinc/27/79/83/347277983.db2.gz ZXVYJKXMMWMUFL-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@](C)(CO)CC1 ZINC000110916296 347341245 /nfs/dbraw/zinc/34/12/45/347341245.db2.gz SOZHSJRQGGNDRX-CYBMUJFWSA-N 0 0 243.347 2.406 50 0 BEAARN Cc1cccc2c1cnn2CCC(=O)NC1CC1 ZINC000040758213 179225400 /nfs/dbraw/zinc/22/54/00/179225400.db2.gz FTRMYUGKQMJXHZ-UHFFFAOYSA-N 0 0 243.310 2.013 50 0 BEAARN CC(C)C[C@@H](NS(C)(=O)=O)c1ccccc1 ZINC000019931583 347377445 /nfs/dbraw/zinc/37/74/45/347377445.db2.gz FKOAZYNCNMPEIE-GFCCVEGCSA-N 0 0 241.356 2.323 50 0 BEAARN Cc1cccc2c1N(Cc1cc[nH]n1)CC2 ZINC000097100452 179219355 /nfs/dbraw/zinc/21/93/55/179219355.db2.gz AMQXJTBTUKZUMZ-UHFFFAOYSA-N 0 0 213.284 2.281 50 0 BEAARN COC(=O)Cc1ccc(OCC(F)F)cc1 ZINC000020348978 347442470 /nfs/dbraw/zinc/44/24/70/347442470.db2.gz NGESQXJVKGYMSH-UHFFFAOYSA-N 0 0 230.210 2.046 50 0 BEAARN COc1cncc(-c2ccncc2F)c1 ZINC000725242789 537989666 /nfs/dbraw/zinc/98/96/66/537989666.db2.gz YODDIBCIQGRYQE-UHFFFAOYSA-N 0 0 204.204 2.291 50 0 BEAARN Cc1ccccc1C(=O)N(C)CC1CCOCC1 ZINC000074915270 179245622 /nfs/dbraw/zinc/24/56/22/179245622.db2.gz MGFBZQSFZSPZNZ-UHFFFAOYSA-N 0 0 247.338 2.494 50 0 BEAARN Cc1ccccc1C(=O)Cn1ccnc1 ZINC000037340568 179245961 /nfs/dbraw/zinc/24/59/61/179245961.db2.gz LUNSVUSEIKIATF-UHFFFAOYSA-N 0 0 200.241 2.074 50 0 BEAARN C[C@@H](C(=O)N(C)c1ccccc1)n1cccn1 ZINC000012987490 347471693 /nfs/dbraw/zinc/47/16/93/347471693.db2.gz GHVQVZAJCYTAKH-NSHDSACASA-N 0 0 229.283 2.107 50 0 BEAARN Cc1ccccc1C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000045523728 179248248 /nfs/dbraw/zinc/24/82/48/179248248.db2.gz IIICNVPJOBTBDZ-VXGBXAGGSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000005549055 179248691 /nfs/dbraw/zinc/24/86/91/179248691.db2.gz MVQZCCWEAFWRJS-VXGBXAGGSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1ccccc1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000075156706 179252100 /nfs/dbraw/zinc/25/21/00/179252100.db2.gz UGMMHKYXCOSUJS-RYUDHWBXSA-N 0 0 233.311 2.028 50 0 BEAARN Cc1ccccc1CC(=O)Nc1nncs1 ZINC000006726929 179260226 /nfs/dbraw/zinc/26/02/26/179260226.db2.gz ULVURHGGQXSLQO-UHFFFAOYSA-N 0 0 233.296 2.028 50 0 BEAARN Cc1ccccc1CCNC(=O)NC(C)C ZINC000012984177 179266087 /nfs/dbraw/zinc/26/60/87/179266087.db2.gz WJBFZJSCWQQPRC-UHFFFAOYSA-N 0 0 220.316 2.245 50 0 BEAARN CSCCn1ccnc1[C@@H](O)c1ccccc1 ZINC000195570651 347648008 /nfs/dbraw/zinc/64/80/08/347648008.db2.gz JYNNXNTUQKESLF-LBPRGKRZSA-N 0 0 248.351 2.328 50 0 BEAARN CC(C)(C)C(=O)OCSc1cnccn1 ZINC000195578445 347648368 /nfs/dbraw/zinc/64/83/68/347648368.db2.gz IOXYZNILZKNFEZ-UHFFFAOYSA-N 0 0 226.301 2.116 50 0 BEAARN CC(C)=CCC[C@H](C)[NH2+]Cc1n[n-]c(=N)s1 ZINC000534575996 323153767 /nfs/dbraw/zinc/15/37/67/323153767.db2.gz BIHTUHPWAMCMLO-VIFPVBQESA-N 0 0 240.376 2.175 50 0 BEAARN Cc1ccccc1CNCc1cc[nH]n1 ZINC000037719021 179282744 /nfs/dbraw/zinc/28/27/44/179282744.db2.gz VLONEQJPRCHKRA-UHFFFAOYSA-N 0 0 201.273 2.008 50 0 BEAARN Cc1ccccc1N1C(=O)CSC1=O ZINC000001317929 179296165 /nfs/dbraw/zinc/29/61/65/179296165.db2.gz PEXPJQYCDNCTCC-UHFFFAOYSA-N 0 0 207.254 2.195 50 0 BEAARN Cc1ccccc1NC(=O)NC[C@](C)(O)C1CC1 ZINC000062021803 179300531 /nfs/dbraw/zinc/30/05/31/179300531.db2.gz QBLDGIGMNXXHJB-AWEZNQCLSA-N 0 0 248.326 2.278 50 0 BEAARN Cc1ccccc1NCC(=O)N1CCCCC1 ZINC000057218589 179304540 /nfs/dbraw/zinc/30/45/40/179304540.db2.gz UHQOIWNDJVONFV-UHFFFAOYSA-N 0 0 232.327 2.419 50 0 BEAARN Cc1ccccc1NCN1C(=O)CSC1=O ZINC000003880741 179305090 /nfs/dbraw/zinc/30/50/90/179305090.db2.gz RPQLSYMAQRHCBC-UHFFFAOYSA-N 0 0 236.296 2.060 50 0 BEAARN Cc1cc(C=C2SC(=O)NC2=O)cc(C)c1O ZINC000004504421 347869687 /nfs/dbraw/zinc/86/96/87/347869687.db2.gz ZOJCQUMIKFJCPG-WEVVVXLNSA-N 0 0 249.291 2.333 50 0 BEAARN Cc1ccccc1OCC(=O)N1CCCCC1 ZINC000000130065 179309990 /nfs/dbraw/zinc/30/99/90/179309990.db2.gz KJVNPTLVUIKDOQ-UHFFFAOYSA-N 0 0 233.311 2.386 50 0 BEAARN Cc1ccccc1O[C@H](C)C(=O)NC(C)C ZINC000059267354 179312922 /nfs/dbraw/zinc/31/29/22/179312922.db2.gz UKECSCBXHOSAAP-LLVKDONJSA-N 0 0 221.300 2.287 50 0 BEAARN Cc1ccccc1[C@H](C)NC1=NCCO1 ZINC000006491596 179336650 /nfs/dbraw/zinc/33/66/50/179336650.db2.gz LSAVKNWLWCADEB-JTQLQIEISA-N 0 0 204.273 2.032 50 0 BEAARN Cc1ccccc1[C@H]1CN(C(=O)C2CC2)CCO1 ZINC000041395314 179348218 /nfs/dbraw/zinc/34/82/18/179348218.db2.gz ODMJIZDTGZEIKS-CQSZACIVSA-N 0 0 245.322 2.305 50 0 BEAARN Cc1cccn2c(Br)c(C=O)nc12 ZINC000071864027 179354816 /nfs/dbraw/zinc/35/48/16/179354816.db2.gz RJRQJKLYBMQRHG-UHFFFAOYSA-N 0 0 239.072 2.218 50 0 BEAARN COc1c(Br)ccc(O)c1F ZINC000216134243 349982302 /nfs/dbraw/zinc/98/23/02/349982302.db2.gz QUMHKGGYZYTGDX-UHFFFAOYSA-N 0 0 221.025 2.302 50 0 BEAARN Cc1cccnc1-c1noc([C@]2(C)CCCO2)n1 ZINC000020598699 179358510 /nfs/dbraw/zinc/35/85/10/179358510.db2.gz MCUHGKOMSCKKQZ-ZDUSSCGKSA-N 0 0 245.282 2.466 50 0 BEAARN Cc1cccnc1NC(=O)CCn1cccc1 ZINC000015771300 179389262 /nfs/dbraw/zinc/38/92/62/179389262.db2.gz SVEUMWJZRBPRCJ-UHFFFAOYSA-N 0 0 229.283 2.220 50 0 BEAARN Cc1cccnc1NC(=O)c1ccccn1 ZINC000032721860 179393436 /nfs/dbraw/zinc/39/34/36/179393436.db2.gz HIWFGDWJYYPYRJ-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1cccnc1NC(=O)c1ccco1 ZINC000013208130 179393728 /nfs/dbraw/zinc/39/37/28/179393728.db2.gz LACFYWOWRKQEPJ-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CC(C)c1c(Cl)nc2ccccn2c1=O ZINC000725245873 538004713 /nfs/dbraw/zinc/00/47/13/538004713.db2.gz YNJHFLUXWOENKG-UHFFFAOYSA-N 0 0 222.675 2.471 50 0 BEAARN CON(C)c1nc(C)nc2sc3c(c21)CCC3 ZINC000006935770 349995922 /nfs/dbraw/zinc/99/59/22/349995922.db2.gz USBHBPLZEOENDD-UHFFFAOYSA-N 0 0 249.339 2.486 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@]1(C)C(C)(C)C ZINC000669382867 538005753 /nfs/dbraw/zinc/00/57/53/538005753.db2.gz FJSXTLALELLQNL-GHMZBOCLSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1ccsc1C(=O)NCC(F)(F)F ZINC000033029008 179536803 /nfs/dbraw/zinc/53/68/03/179536803.db2.gz TUXQVWOEUYLQHP-UHFFFAOYSA-N 0 0 223.219 2.349 50 0 BEAARN Cc1c[nH]c(NC(=O)c2cscc2C)n1 ZINC000098020635 179631087 /nfs/dbraw/zinc/63/10/87/179631087.db2.gz HMXZXBTWDKDYPD-UHFFFAOYSA-N 0 0 221.285 2.340 50 0 BEAARN Cc1csc(CNC(=O)c2ccc(C)n2C)n1 ZINC000021482991 179775251 /nfs/dbraw/zinc/77/52/51/179775251.db2.gz HMRDMGZPEPSLIU-UHFFFAOYSA-N 0 0 249.339 2.028 50 0 BEAARN CC1=NN(C(=S)c2ccccc2)[C@](C)(O)C1 ZINC000000302948 190969384 /nfs/dbraw/zinc/96/93/84/190969384.db2.gz LTTLECARTGXYAT-GFCCVEGCSA-N 0 0 234.324 2.152 50 0 BEAARN NC(=S)c1ccc(C(F)(F)F)c(F)c1 ZINC000008730047 190978649 /nfs/dbraw/zinc/97/86/49/190978649.db2.gz MSKNBFPBZIJNML-UHFFFAOYSA-N 0 0 223.194 2.479 50 0 in-vitro BEAARN Cc1n[nH]c(C)c1NC(=O)OC(C)(C)C ZINC000036734097 179827594 /nfs/dbraw/zinc/82/75/94/179827594.db2.gz OQCBWVXVCKEWLQ-UHFFFAOYSA-N 0 0 211.265 2.374 50 0 BEAARN Cc1[nH]nc2ncc(NCc3cscn3)cc12 ZINC000189342715 179841460 /nfs/dbraw/zinc/84/14/60/179841460.db2.gz KNBNSNUQVJEJET-UHFFFAOYSA-N 0 0 245.311 2.335 50 0 BEAARN Cc1nc(C(=O)N2CCCCCC2)c(C)o1 ZINC000065293405 179878402 /nfs/dbraw/zinc/87/84/02/179878402.db2.gz AVFTVZDNKFHXSE-UHFFFAOYSA-N 0 0 222.288 2.308 50 0 BEAARN Cc1nc(-c2nc([C@H]3CCOC3)no2)cs1 ZINC000096136500 179871092 /nfs/dbraw/zinc/87/10/92/179871092.db2.gz LRELFJXAUICVLR-ZETCQYMHSA-N 0 0 237.284 2.005 50 0 BEAARN Cc1ccc(/C=C\C(=O)NCc2cccnc2)o1 ZINC000035228663 190986759 /nfs/dbraw/zinc/98/67/59/190986759.db2.gz MWARITHTQLKVCP-SREVYHEPSA-N 0 0 242.278 2.313 50 0 BEAARN Cc1nc(C)c(C)c(-c2ccccc2C(N)=O)n1 ZINC000215423315 179905587 /nfs/dbraw/zinc/90/55/87/179905587.db2.gz AUSPJJSHRVQEBV-UHFFFAOYSA-N 0 0 241.294 2.168 50 0 BEAARN Cc1nc(CC(=O)NCCC(C)C)cs1 ZINC000048309609 179929046 /nfs/dbraw/zinc/92/90/46/179929046.db2.gz ZQGPUHSPTWMUPD-UHFFFAOYSA-N 0 0 226.345 2.156 50 0 BEAARN CCCCc1noc(CN(C)CCC)n1 ZINC000063761560 191001465 /nfs/dbraw/zinc/00/14/65/191001465.db2.gz MYVMCDPOEINSHO-UHFFFAOYSA-N 0 0 211.309 2.254 50 0 BEAARN CCCC(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000012251339 349412616 /nfs/dbraw/zinc/41/26/16/349412616.db2.gz AGUXLZSIIDGAAK-UHFFFAOYSA-N 0 0 249.289 2.161 50 0 BEAARN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(N)=O ZINC000077538746 191006497 /nfs/dbraw/zinc/00/64/97/191006497.db2.gz PVGVEMIKXIVFLG-SCZZXKLOSA-N 0 0 222.263 2.082 50 0 BEAARN Cc1nc(Cl)cc(NC[C@@H](O)C(C)(C)C)n1 ZINC000071900437 179988647 /nfs/dbraw/zinc/98/86/47/179988647.db2.gz VLRQHEXDUHHOJM-MRVPVSSYSA-N 0 0 243.738 2.257 50 0 BEAARN O=C1C=C(Nc2cccc3ccccc32)CN1 ZINC000604419233 350127581 /nfs/dbraw/zinc/12/75/81/350127581.db2.gz SUXCUHAOJVEBME-UHFFFAOYSA-N 0 0 224.263 2.265 50 0 BEAARN Cc1nc([C@H](C)NC(=O)Nc2ccccc2)no1 ZINC000225836881 180049989 /nfs/dbraw/zinc/04/99/89/180049989.db2.gz PXMNUJAPSQIVRR-QMMMGPOBSA-N 0 0 246.270 2.261 50 0 BEAARN Cc1nc([C@H](N)c2ccc(Cl)c(F)c2)no1 ZINC000049808700 180052595 /nfs/dbraw/zinc/05/25/95/180052595.db2.gz KNLSOPFXUOKYSV-SECBINFHSA-N 0 0 241.653 2.219 50 0 BEAARN Cc1nc2c(Br)cc(Cl)cn2n1 ZINC000085210599 180058802 /nfs/dbraw/zinc/05/88/02/180058802.db2.gz GMHNJSAITZTGCZ-UHFFFAOYSA-N 0 0 246.495 2.454 50 0 BEAARN OCc1ccccc1CO[C@H]1CCCCO1 ZINC000090728162 191023729 /nfs/dbraw/zinc/02/37/29/191023729.db2.gz VOCBXMPWJAQCQY-ZDUSSCGKSA-N 0 0 222.284 2.222 50 0 BEAARN Cc1nc2c(o1)CCc1ccccc1[C@H]2O ZINC000000074143 180071838 /nfs/dbraw/zinc/07/18/38/180071838.db2.gz TXKVXQAFACOKFT-CYBMUJFWSA-N 0 0 215.252 2.163 50 0 BEAARN Cc1nc2cc(Br)cc(N)c2o1 ZINC000041568912 180076446 /nfs/dbraw/zinc/07/64/46/180076446.db2.gz VQWRZDSIMJRUCP-UHFFFAOYSA-N 0 0 227.061 2.481 50 0 BEAARN Cc1nc2ccc(OC(=O)C3CC3)cc2o1 ZINC000169853207 180096803 /nfs/dbraw/zinc/09/68/03/180096803.db2.gz DBWYGJOVEWAMTR-UHFFFAOYSA-N 0 0 217.224 2.452 50 0 BEAARN Cc1nc2nccc(-c3ccccc3)n2n1 ZINC000022607207 180114678 /nfs/dbraw/zinc/11/46/78/180114678.db2.gz RNQJYKXSGQZOPW-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN Cc1nc2n(n1)[C@H](c1cccs1)C[C@@H](C)N2 ZINC000095471676 180114708 /nfs/dbraw/zinc/11/47/08/180114708.db2.gz HMXQNWJJFLYVST-APPZFPTMSA-N 0 0 234.328 2.442 50 0 BEAARN Cc1nc2ccccc2c(=O)n1C(C)C ZINC000001572237 180101076 /nfs/dbraw/zinc/10/10/76/180101076.db2.gz CMKSVJMCGHVTAR-UHFFFAOYSA-N 0 0 202.257 2.286 50 0 BEAARN Cc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000000274131 180101470 /nfs/dbraw/zinc/10/14/70/180101470.db2.gz BTDIUAJMSNMMKD-UHFFFAOYSA-N 0 0 240.262 2.346 50 0 BEAARN CCCCC(=O)N1CC[C@@H](SC)C1 ZINC000225614340 168614813 /nfs/dbraw/zinc/61/48/13/168614813.db2.gz ZHYFERAKWCPOCA-SECBINFHSA-N 0 0 201.335 2.141 50 0 BEAARN Cc1nc2ccccc2n1CC(=O)NC(C)(C)C ZINC000005627767 180103866 /nfs/dbraw/zinc/10/38/66/180103866.db2.gz VNSYSHFXFSKTAE-UHFFFAOYSA-N 0 0 245.326 2.259 50 0 BEAARN Cc1nc2ccccn2c1C(=O)NCC(C)C ZINC000000217162 180105403 /nfs/dbraw/zinc/10/54/03/180105403.db2.gz QQNPIZGIGPGFPW-UHFFFAOYSA-N 0 0 231.299 2.029 50 0 BEAARN Cc1ncc(C(=O)OCc2ccoc2)s1 ZINC000071803819 180135268 /nfs/dbraw/zinc/13/52/68/180135268.db2.gz QOJBHERWWPVZKW-UHFFFAOYSA-N 0 0 223.253 2.402 50 0 BEAARN Cc1nc(=O)c2c(CC(C)C)csc2[nH]1 ZINC000003331406 180117264 /nfs/dbraw/zinc/11/72/64/180117264.db2.gz MREJIJQDZYRKBA-UHFFFAOYSA-N 0 0 222.313 2.492 50 0 BEAARN Cc1nc2sccn2c1-c1csc(N)n1 ZINC000000453212 180117822 /nfs/dbraw/zinc/11/78/22/180117822.db2.gz OFRXMIXTYCQPOE-UHFFFAOYSA-N 0 0 236.325 2.410 50 0 BEAARN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H](C)O)C2)c1 ZINC000097108011 191058969 /nfs/dbraw/zinc/05/89/69/191058969.db2.gz FLBRRUWTPZNXCW-QWHCGFSZSA-N 0 0 247.338 2.000 50 0 BEAARN Cc1ncc(-c2ccc(F)cc2)c(N)n1 ZINC000026465793 180122145 /nfs/dbraw/zinc/12/21/45/180122145.db2.gz RMBQYOOKUHBIRY-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN Cc1cc(Br)c(C)nc1N ZINC000098181500 191061372 /nfs/dbraw/zinc/06/13/72/191061372.db2.gz FSZYOBZOVULXIL-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN CCCCC(=O)NC1(C(=O)OC)CCCCC1 ZINC000044896368 168617775 /nfs/dbraw/zinc/61/77/75/168617775.db2.gz YPQABQRDPPCASK-UHFFFAOYSA-N 0 0 241.331 2.169 50 0 BEAARN Cc1cnc(NC(=O)CC[C@@H]2CCCO2)s1 ZINC000032816009 350209299 /nfs/dbraw/zinc/20/92/99/350209299.db2.gz ZVFUQRPGSOWHBE-VIFPVBQESA-N 0 0 240.328 2.349 50 0 BEAARN Cc1ccc(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)n1C ZINC000076022912 362952321 /nfs/dbraw/zinc/95/23/21/362952321.db2.gz XKZQIKIBJLZXBT-STQMWFEESA-N 0 0 244.338 2.372 50 0 BEAARN Cc1ncccc1CN(C)Cc1ccccn1 ZINC000097113800 180218890 /nfs/dbraw/zinc/21/88/90/180218890.db2.gz IMTQCTDMPPMEPB-UHFFFAOYSA-N 0 0 227.311 2.417 50 0 BEAARN Cc1ncccc1CNc1nc(C(C)C)nn1C ZINC000097147962 180223242 /nfs/dbraw/zinc/22/32/42/180223242.db2.gz DUNTYTHJJDSXSO-UHFFFAOYSA-N 0 0 245.330 2.254 50 0 BEAARN Cc1ncccc1NCc1cccc(C(N)=O)c1 ZINC000091495786 180227081 /nfs/dbraw/zinc/22/70/81/180227081.db2.gz GHIZVXJDYZYYIG-UHFFFAOYSA-N 0 0 241.294 2.101 50 0 BEAARN Cc1nccnc1NCC1CC(F)(F)C1 ZINC000291815287 180276423 /nfs/dbraw/zinc/27/64/23/180276423.db2.gz KJVLCRNUJIQNAV-UHFFFAOYSA-N 0 0 213.231 2.242 50 0 BEAARN Cc1ncn(Cc2cn3ccccc3n2)c1C ZINC000079090684 180289122 /nfs/dbraw/zinc/28/91/22/180289122.db2.gz ZJKIFZQPIVVJGF-UHFFFAOYSA-N 0 0 226.283 2.196 50 0 BEAARN O=C(c1ccc(F)cc1F)N1CCCC1 ZINC000028210713 350341622 /nfs/dbraw/zinc/34/16/22/350341622.db2.gz OXZQQDSHKHQJGR-UHFFFAOYSA-N 0 0 211.211 2.201 50 0 BEAARN Cc1ccc(N2CCOC2=O)c(-c2cn[nH]c2)c1 ZINC000426555431 191097618 /nfs/dbraw/zinc/09/76/18/191097618.db2.gz HGASKIPJJDLBCD-UHFFFAOYSA-N 0 0 243.266 2.342 50 0 BEAARN COc1c(C=O)c(C)nn1-c1ccccc1 ZINC000040177224 350358896 /nfs/dbraw/zinc/35/88/96/350358896.db2.gz GDDLXRKYLOKGRR-UHFFFAOYSA-N 0 0 216.240 2.002 50 0 BEAARN Cc1cccc(-n2cc(C=O)cn2)c1C ZINC000040449012 350364529 /nfs/dbraw/zinc/36/45/29/350364529.db2.gz KYHWLAJFWISYCA-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1ncsc1C(=O)Nc1n[nH]c(C)c1C ZINC000069493854 180307023 /nfs/dbraw/zinc/30/70/23/180307023.db2.gz JWUCPPQUCDYPCS-UHFFFAOYSA-N 0 0 236.300 2.044 50 0 BEAARN Cc1ncsc1C(=O)OCC[C@H]1CCCO1 ZINC000079015952 180307329 /nfs/dbraw/zinc/30/73/29/180307329.db2.gz KHIIVSCPBHJYFY-SECBINFHSA-N 0 0 241.312 2.177 50 0 BEAARN Cc1ncsc1C(=O)Nc1ccccn1 ZINC000040529901 180307918 /nfs/dbraw/zinc/30/79/18/180307918.db2.gz DEOWQQOLNJGCOD-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CN(C=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000394030 350332726 /nfs/dbraw/zinc/33/27/26/350332726.db2.gz FIVWASZVXBQXHF-UHFFFAOYSA-N 0 0 237.258 2.491 50 0 BEAARN COCc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000040510108 350371727 /nfs/dbraw/zinc/37/17/27/350371727.db2.gz PKCVARCUMAVREW-UHFFFAOYSA-N 0 0 235.327 2.495 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)C[C@@H]1C=CCC1 ZINC000022838074 180343973 /nfs/dbraw/zinc/34/39/73/180343973.db2.gz WIHHPKIOTPFELZ-LLVKDONJSA-N 0 0 233.315 2.332 50 0 BEAARN CC[C@H]1CCCCN1C(=O)CSC ZINC000033019208 350439101 /nfs/dbraw/zinc/43/91/01/350439101.db2.gz YNPCEPMSDHUOHW-VIFPVBQESA-N 0 0 201.335 2.141 50 0 BEAARN Cc1nn(C)c2c1nc(C1CC1)nc2NC(C)C ZINC000057355994 180361805 /nfs/dbraw/zinc/36/18/05/180361805.db2.gz CBAZEFOONGPQPD-UHFFFAOYSA-N 0 0 245.330 2.369 50 0 BEAARN COCOc1ccc(Cl)cc1C=O ZINC000034203991 350464547 /nfs/dbraw/zinc/46/45/47/350464547.db2.gz AFVFFHSQPVBSIY-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN C[C@@H](CC(=O)N1CCCCC1)n1cccc1 ZINC000089894516 362958347 /nfs/dbraw/zinc/95/83/47/362958347.db2.gz SIPMUTIUARHAIC-LBPRGKRZSA-N 0 0 220.316 2.452 50 0 BEAARN C[C@@H](CC(=O)N1CCCC1)n1cccc1 ZINC000089894514 362958713 /nfs/dbraw/zinc/95/87/13/362958713.db2.gz YDNPXXPRWRAUSL-NSHDSACASA-N 0 0 206.289 2.062 50 0 BEAARN Cc1nn2cc(-c3ccc(N)cc3)nc2s1 ZINC000000053162 180394794 /nfs/dbraw/zinc/39/47/94/180394794.db2.gz ZGDQAQZRJZDYMQ-UHFFFAOYSA-N 0 0 230.296 2.348 50 0 BEAARN Cc1nn2c(Cc3ccccc3C)nnc2s1 ZINC000002183308 180395240 /nfs/dbraw/zinc/39/52/40/180395240.db2.gz PIZYOAQTEJIHPV-UHFFFAOYSA-N 0 0 244.323 2.393 50 0 BEAARN CC(=O)O/N=C1/C(C)=C(C#N)[C@H]2[C@@H]1C2(C)C ZINC000005008813 538094976 /nfs/dbraw/zinc/09/49/76/538094976.db2.gz YGSGVWNRWQKRTK-CRLTZBKTSA-N 0 0 218.256 2.031 50 0 BEAARN O=C1NC(=O)C(=Cc2cccs2)S1 ZINC000012407783 350545359 /nfs/dbraw/zinc/54/53/59/350545359.db2.gz DOOLJLRRQAYVGK-GQCTYLIASA-N 0 0 211.267 2.072 50 0 BEAARN Cc1nnc(CSC2=N[C@H](C)CS2)o1 ZINC000089522620 180416220 /nfs/dbraw/zinc/41/62/20/180416220.db2.gz LFXBRCOZURRPJT-RXMQYKEDSA-N 0 0 229.330 2.103 50 0 BEAARN Cc1nnc(NCCc2cccs2)o1 ZINC000225401989 180433412 /nfs/dbraw/zinc/43/34/12/180433412.db2.gz DQRTZSISEUCQEP-UHFFFAOYSA-N 0 0 209.274 2.094 50 0 BEAARN CSCCOC(=O)c1noc2c1CCCC2 ZINC000076091034 362970968 /nfs/dbraw/zinc/97/09/68/362970968.db2.gz DMWXWIXLKUGXHA-UHFFFAOYSA-N 0 0 241.312 2.073 50 0 BEAARN CS[C@H]1CCC[C@@H]1N(C)C(=O)NC1CC1 ZINC000076092166 362970753 /nfs/dbraw/zinc/97/07/53/362970753.db2.gz KHIOEEVGRLXWQS-UWVGGRQHSA-N 0 0 228.361 2.074 50 0 BEAARN Cc1noc(C)c1CNC(=O)CCC(C)C ZINC000067759806 180472202 /nfs/dbraw/zinc/47/22/02/180472202.db2.gz XJBUPLWESJTQLV-UHFFFAOYSA-N 0 0 224.304 2.344 50 0 BEAARN CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000000397784 191116938 /nfs/dbraw/zinc/11/69/38/191116938.db2.gz PVIBFBFCLHOUNR-UHFFFAOYSA-N 0 0 239.274 2.277 50 0 BEAARN CC(=O)Nc1ccccc1N1CCCC1 ZINC000002828612 191118362 /nfs/dbraw/zinc/11/83/62/191118362.db2.gz LWVCLGSSVJAKAS-UHFFFAOYSA-N 0 0 204.273 2.245 50 0 BEAARN Fc1cc(-c2nc(Cl)ncc2F)ccn1 ZINC000222256021 350765588 /nfs/dbraw/zinc/76/55/88/350765588.db2.gz INKRLCJKJYGCJU-UHFFFAOYSA-N 0 0 227.601 2.470 50 0 BEAARN CC(=O)Nc1cc(-c2ccc(F)cc2)[nH]n1 ZINC000005408065 191121693 /nfs/dbraw/zinc/12/16/93/191121693.db2.gz XGGDMZIPQYYEJJ-UHFFFAOYSA-N 0 0 219.219 2.174 50 0 BEAARN c1coc(-c2noc(CN3CCCCC3)n2)c1 ZINC000048311794 350811589 /nfs/dbraw/zinc/81/15/89/350811589.db2.gz AGKFWWPVHIVMPA-UHFFFAOYSA-N 0 0 233.271 2.316 50 0 BEAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000003754793 350912120 /nfs/dbraw/zinc/91/21/20/350912120.db2.gz ZFWBRKWMVFIPDB-GFCCVEGCSA-N 0 0 237.274 2.265 50 0 BEAARN Cc1oc(C)c(C(=O)NC[C@@H]2CCCO2)c1C ZINC000013020655 180531156 /nfs/dbraw/zinc/53/11/56/180531156.db2.gz YDCQTIOVJKUKHE-NSHDSACASA-N 0 0 237.299 2.114 50 0 BEAARN C[C@@H]1C=C2Nc3ccccc3NCC2C(=O)O1 ZINC000001017467 350979572 /nfs/dbraw/zinc/97/95/72/350979572.db2.gz WBUBDPQLFANNOE-MRVPVSSYSA-N 0 0 230.267 2.114 50 0 BEAARN Cc1ccc(N2C(=O)NC(=O)C[C@@H]2C)c(C)c1 ZINC000001017987 350980606 /nfs/dbraw/zinc/98/06/06/350980606.db2.gz OLJAUZXRVJYJAK-JTQLQIEISA-N 0 0 232.283 2.138 50 0 BEAARN Nc1nc2ccccn2c1C(=O)c1ccccc1 ZINC000001019599 350980614 /nfs/dbraw/zinc/98/06/14/350980614.db2.gz NNVIWHPDVKGPTB-UHFFFAOYSA-N 0 0 237.262 2.148 50 0 BEAARN Cc1occc1SCc1ncnn1C ZINC000186673764 180543955 /nfs/dbraw/zinc/54/39/55/180543955.db2.gz MTEKSPXULPFMFH-UHFFFAOYSA-N 0 0 209.274 2.009 50 0 BEAARN CC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000055455531 191131808 /nfs/dbraw/zinc/13/18/08/191131808.db2.gz SXBBVWNXKYVJMR-JTQLQIEISA-N 0 0 225.675 2.300 50 0 BEAARN CC(C)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000036391811 358461260 /nfs/dbraw/zinc/46/12/60/358461260.db2.gz FOCBIFFBYYLQDI-UHFFFAOYSA-N 0 0 229.283 2.467 50 0 BEAARN CC(C)CNC(=O)c1ccc(N(C)C)cc1 ZINC000005940202 351333698 /nfs/dbraw/zinc/33/36/98/351333698.db2.gz BXYNLWCHKHCSJJ-UHFFFAOYSA-N 0 0 220.316 2.138 50 0 BEAARN CC(=O)c1ccc(NC(=O)c2cc(C)[nH]n2)cc1 ZINC000005941284 351334576 /nfs/dbraw/zinc/33/45/76/351334576.db2.gz QPVNNPQBGRKAIB-UHFFFAOYSA-N 0 0 243.266 2.173 50 0 BEAARN Nc1[nH]c(=S)nc2nc3c(cc12)CCCC3 ZINC000005995921 351365819 /nfs/dbraw/zinc/36/58/19/351365819.db2.gz PHFQIRCWFCHQMG-UHFFFAOYSA-N 0 0 232.312 2.148 50 0 BEAARN Cc1cc(CN(C)C(=O)/C=C/c2ccco2)no1 ZINC000031651590 351476379 /nfs/dbraw/zinc/47/63/79/351476379.db2.gz ULGWXABNSUQOIC-AATRIKPKSA-N 0 0 246.266 2.248 50 0 BEAARN Clc1ccccc1CN1CCOCC1 ZINC000019633859 180594938 /nfs/dbraw/zinc/59/49/38/180594938.db2.gz OPXOMKDSNYMMTQ-UHFFFAOYSA-N 0 0 211.692 2.172 50 0 BEAARN Cn1c2ccccc2c2cc(CC(N)=O)ccc21 ZINC000002101345 180626416 /nfs/dbraw/zinc/62/64/16/180626416.db2.gz KMRPSZNPIBRFEY-UHFFFAOYSA-N 0 0 238.290 2.359 50 0 biogenic BEAARN CCCn1nnc2sc3c(c2c1=O)CCCC3 ZINC000001892783 351738918 /nfs/dbraw/zinc/73/89/18/351738918.db2.gz PCBGMBZBKSAABK-UHFFFAOYSA-N 0 0 249.339 2.142 50 0 BEAARN CCCn1nccc1NC(=O)c1ccc(C)nc1 ZINC000031769472 351816676 /nfs/dbraw/zinc/81/66/76/351816676.db2.gz PUIMQUJNHSHAPW-UHFFFAOYSA-N 0 0 244.298 2.249 50 0 BEAARN Cn1cc2c(cccc2Br)n1 ZINC000015444587 180675151 /nfs/dbraw/zinc/67/51/51/180675151.db2.gz OFOZLGCQBJDWRJ-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN CN(C)c1ccc(C(=O)Nc2ccccn2)cc1 ZINC000000284888 187582904 /nfs/dbraw/zinc/58/29/04/187582904.db2.gz MVIQAYYAMOGWCA-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN CCOC(=O)c1csc(Br)n1 ZINC000001608352 187583563 /nfs/dbraw/zinc/58/35/63/187583563.db2.gz CNHISCQPKKGDPO-UHFFFAOYSA-N 0 0 236.090 2.082 50 0 BEAARN CN(C)c1cc(C(=O)N2CCCCCC2)ccn1 ZINC000040088579 187601378 /nfs/dbraw/zinc/60/13/78/187601378.db2.gz HJZCMGNULYQBQI-UHFFFAOYSA-N 0 0 247.342 2.164 50 0 BEAARN Cc1ccc2onc(CNC(=O)NC3CC3)c2c1 ZINC000021867901 187592234 /nfs/dbraw/zinc/59/22/34/187592234.db2.gz WPXSWRGLAWLMQC-UHFFFAOYSA-N 0 0 245.282 2.098 50 0 BEAARN CCOc1ccc(SCC(=O)N(C)C)cc1 ZINC000047339949 187608053 /nfs/dbraw/zinc/60/80/53/187608053.db2.gz ZYKGZRCAUWQPBX-UHFFFAOYSA-N 0 0 239.340 2.266 50 0 BEAARN COc1cc(Br)cc(F)c1C=O ZINC000089157280 187625531 /nfs/dbraw/zinc/62/55/31/187625531.db2.gz RJWZBFAJSYHLOU-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN C1=CC[C@H](c2nc([C@H]3CCOC3)no2)CC1 ZINC000098019213 187629826 /nfs/dbraw/zinc/62/98/26/187629826.db2.gz MZFGEGLAEUDSDJ-UWVGGRQHSA-N 0 0 220.272 2.397 50 0 BEAARN Cc1cc(C)cc(NC(=O)COC(=O)C2CC2)c1 ZINC000003392879 187639213 /nfs/dbraw/zinc/63/92/13/187639213.db2.gz UTRPLKMYVRJGJD-UHFFFAOYSA-N 0 0 247.294 2.195 50 0 BEAARN CC(C)(CO)NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299854 187639758 /nfs/dbraw/zinc/63/97/58/187639758.db2.gz NEMNZWGHQKYBJR-UHFFFAOYSA-N 0 0 247.298 2.060 50 0 BEAARN Cn1ccc(NC(=O)CCc2cccs2)n1 ZINC000032778124 180709884 /nfs/dbraw/zinc/70/98/84/180709884.db2.gz NMBSRFNIZQEHGA-UHFFFAOYSA-N 0 0 235.312 2.053 50 0 BEAARN COC(=O)c1cnc(Nc2ccccc2)nc1 ZINC000044676058 352380625 /nfs/dbraw/zinc/38/06/25/352380625.db2.gz CAKVYPYBXAVALF-UHFFFAOYSA-N 0 0 229.239 2.007 50 0 BEAARN CC(C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000003881194 352384819 /nfs/dbraw/zinc/38/48/19/352384819.db2.gz KBPJBYLSLYYSCR-VIFPVBQESA-N 0 0 231.299 2.396 50 0 BEAARN O=C(Nc1nncs1)[C@@H]1CCC[C@@H](F)C1 ZINC000335099072 352386430 /nfs/dbraw/zinc/38/64/30/352386430.db2.gz UAQPOMBAGPFOBD-RNFRBKRXSA-N 0 0 229.280 2.005 50 0 BEAARN Cn1cccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067502782 180723540 /nfs/dbraw/zinc/72/35/40/180723540.db2.gz ZWVWZXPQMQQUBT-CHWSQXEVSA-N 0 0 240.306 2.311 50 0 BEAARN CNc1nc(N2CCCC[C@@H]2C)ncc1F ZINC000725271666 538103387 /nfs/dbraw/zinc/10/33/87/538103387.db2.gz JQMDYHMXPSJFCP-QMMMGPOBSA-N 0 0 224.283 2.036 50 0 BEAARN CNc1nc(N2[C@H](C)CCC[C@H]2C)ncc1F ZINC000725272117 538103741 /nfs/dbraw/zinc/10/37/41/538103741.db2.gz MPRBGQXUWXXCBT-RKDXNWHRSA-N 0 0 238.310 2.425 50 0 BEAARN Cn1ccnc1Sc1ccc(F)cc1N ZINC000019869331 180753669 /nfs/dbraw/zinc/75/36/69/180753669.db2.gz IYJFRYUKZZBWAC-UHFFFAOYSA-N 0 0 223.276 2.293 50 0 BEAARN Nc1nc(Cl)cc(NC(C2CC2)C2CC2)n1 ZINC000045026244 352558006 /nfs/dbraw/zinc/55/80/06/352558006.db2.gz LQKLOMGVGPZXHJ-UHFFFAOYSA-N 0 0 238.722 2.313 50 0 BEAARN CN(C)c1ccc(NC(=O)C2CCCC2)nc1 ZINC000049466839 352620739 /nfs/dbraw/zinc/62/07/39/352620739.db2.gz YSZDVRYBFFJXCH-UHFFFAOYSA-N 0 0 233.315 2.276 50 0 BEAARN CCCCCC[C@@H]1C[C@@H](C)N(CCO)C1=O ZINC000005244876 168675883 /nfs/dbraw/zinc/67/58/83/168675883.db2.gz OGJHQQJFKJKOEB-VXGBXAGGSA-N 0 0 227.348 2.186 50 0 BEAARN NC(=O)N1CC2(CCC2)c2c1cccc2F ZINC000334196994 352788428 /nfs/dbraw/zinc/78/84/28/352788428.db2.gz KQBKGYQFIVZGRZ-UHFFFAOYSA-N 0 0 220.247 2.146 50 0 BEAARN Cc1c(Cl)c(C(=O)NC2CCCC2)nn1C ZINC000000355993 187924935 /nfs/dbraw/zinc/92/49/35/187924935.db2.gz USTPVKORFUWDSF-UHFFFAOYSA-N 0 0 241.722 2.054 50 0 BEAARN CC(=O)c1c(Cl)n(C)nc1C(F)(F)F ZINC000000168466 187925133 /nfs/dbraw/zinc/92/51/33/187925133.db2.gz BPSZCXREHPDTAJ-UHFFFAOYSA-N 0 0 226.585 2.295 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000003430797 187927629 /nfs/dbraw/zinc/92/76/29/187927629.db2.gz LOYPWJZWUMOVRW-QPUJVOFHSA-N 0 0 232.283 2.240 50 0 BEAARN COc1cc(Br)ccc1C=O ZINC000012956582 187932256 /nfs/dbraw/zinc/93/22/56/187932256.db2.gz YMXQYZABFWVXEK-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN Cc1ccc(CCC(=O)Nc2cc[nH]n2)cc1 ZINC000042414235 187947410 /nfs/dbraw/zinc/94/74/10/187947410.db2.gz JQLOWRAPJAOFSK-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN Cc1cc(N)n([C@H](C)c2ccsc2)n1 ZINC000050345091 187953815 /nfs/dbraw/zinc/95/38/15/187953815.db2.gz HJHVTWWAJUSXFW-MRVPVSSYSA-N 0 0 207.302 2.445 50 0 BEAARN CCn1nc(C)cc1C(=O)c1ccccc1 ZINC000044125385 187979309 /nfs/dbraw/zinc/97/93/09/187979309.db2.gz PXMKQGBDEPSLAZ-UHFFFAOYSA-N 0 0 214.268 2.442 50 0 BEAARN CNc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000000544978 187986178 /nfs/dbraw/zinc/98/61/78/187986178.db2.gz VRUDWZMCMLQDFG-UHFFFAOYSA-N 0 0 216.219 2.292 50 0 BEAARN C/C=C/C=C\C(=O)NCCOc1cccc(F)c1 ZINC000097073756 188017925 /nfs/dbraw/zinc/01/79/25/188017925.db2.gz GXQPCNZBPQESJD-HOJFPOIOSA-N 0 0 249.285 2.453 50 0 BEAARN CCCCCNC(=O)N(C)[C@@H](CO)C(C)(C)C ZINC000095430557 168706863 /nfs/dbraw/zinc/70/68/63/168706863.db2.gz UOMWTZOQKUTCHW-NSHDSACASA-N 0 0 244.379 2.225 50 0 BEAARN C/C=C/c1ccc(OCCO)c(OC)c1 ZINC000019861814 188004419 /nfs/dbraw/zinc/00/44/19/188004419.db2.gz YUDXQWSYYIQFOV-ONEGZZNKSA-N 0 0 208.257 2.099 50 0 BEAARN CN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000004134564 353148238 /nfs/dbraw/zinc/14/82/38/353148238.db2.gz ILMKKYOKRVVYTN-UHFFFAOYSA-N 0 0 241.356 2.234 50 0 BEAARN FC(F)(F)c1ccc2c(n1)CCCN2 ZINC000091366518 180894338 /nfs/dbraw/zinc/89/43/38/180894338.db2.gz JWONDTKRBQCXIG-UHFFFAOYSA-N 0 0 202.179 2.459 50 0 BEAARN CC(=O)N[C@@H](C)Cc1cc2ccccc2o1 ZINC000238419437 188258740 /nfs/dbraw/zinc/25/87/40/188258740.db2.gz WXMZXYWWLVXYMA-VIFPVBQESA-N 0 0 217.268 2.500 50 0 BEAARN Cc1ncsc1C(=O)N1CCC(C)CC1 ZINC000040529038 188255736 /nfs/dbraw/zinc/25/57/36/188255736.db2.gz YMTFMFKSFCSAJP-UHFFFAOYSA-N 0 0 224.329 2.324 50 0 BEAARN CC1=NN(C(=O)c2ccccc2)[C@](C)(O)C1(C)C ZINC000000870183 188268924 /nfs/dbraw/zinc/26/89/24/188268924.db2.gz WHTDOWIWFZLPEJ-CQSZACIVSA-N 0 0 246.310 2.253 50 0 BEAARN O=c1oc2ccccc2cc1-c1csnn1 ZINC000004548230 188269718 /nfs/dbraw/zinc/26/97/18/188269718.db2.gz KKPLQMFYEOTBEP-UHFFFAOYSA-N 0 0 230.248 2.312 50 0 BEAARN CC(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000000075335 188272366 /nfs/dbraw/zinc/27/23/66/188272366.db2.gz MCZYFMZUQYDUNX-UHFFFAOYSA-N 0 0 233.296 2.153 50 0 BEAARN CC(C)NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000000167275 188272649 /nfs/dbraw/zinc/27/26/49/188272649.db2.gz DURSMUSFOOJCSV-UONOGXRCSA-N 0 0 237.343 2.297 50 0 biogenic BEAARN NC(=O)c1cccn1Cc1cccc(Cl)c1 ZINC000000259673 188272808 /nfs/dbraw/zinc/27/28/08/188272808.db2.gz BJLNGUITELOITD-UHFFFAOYSA-N 0 0 234.686 2.289 50 0 BEAARN CC(=O)CC(=O)Nc1ccc(C)cc1C ZINC000000056822 188272810 /nfs/dbraw/zinc/27/28/10/188272810.db2.gz HGVIAKXYAZRSEG-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN CC(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000001401994 188273078 /nfs/dbraw/zinc/27/30/78/188273078.db2.gz DXVKZDBYLFVMFB-UHFFFAOYSA-N 0 0 229.239 2.227 50 0 BEAARN COC(=O)c1ccc(OC)c(Cl)c1 ZINC000002566118 188274723 /nfs/dbraw/zinc/27/47/23/188274723.db2.gz PINQDVFQCCFACD-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN NC(=O)c1ccccc1SC(F)F ZINC000002382139 188274769 /nfs/dbraw/zinc/27/47/69/188274769.db2.gz JTEUGWWGGDKERE-UHFFFAOYSA-N 0 0 203.213 2.100 50 0 BEAARN COc1cccc(CC(=O)C(F)(F)F)c1 ZINC000002518009 188274860 /nfs/dbraw/zinc/27/48/60/188274860.db2.gz CFXRVYZFEKPHSO-UHFFFAOYSA-N 0 0 218.174 2.369 50 0 BEAARN CC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000002550634 188275004 /nfs/dbraw/zinc/27/50/04/188275004.db2.gz VEUMGDXLBDAVQT-UHFFFAOYSA-N 0 0 203.241 2.238 50 0 BEAARN CCc1ccc(OCn2cc(N)cn2)cc1 ZINC000002535042 188275104 /nfs/dbraw/zinc/27/51/04/188275104.db2.gz UCCPXDFAFSBJBC-UHFFFAOYSA-N 0 0 217.272 2.064 50 0 BEAARN CC(C)(C)c1ccc([C@@H]([NH3+])C(=O)[O-])cc1 ZINC000003676889 188275652 /nfs/dbraw/zinc/27/56/52/188275652.db2.gz HSRNMXQOQUQCSD-SNVBAGLBSA-N 0 0 207.273 2.069 50 0 BEAARN COc1ccc2[nH]c(C(=O)NC3CC3)cc2c1 ZINC000075337196 188307805 /nfs/dbraw/zinc/30/78/05/188307805.db2.gz POIDDSPGXGBQOV-UHFFFAOYSA-N 0 0 230.267 2.069 50 0 BEAARN CC(=O)NCc1c[nH]nc1-c1ccc(C)cc1 ZINC000075344392 188307807 /nfs/dbraw/zinc/30/78/07/188307807.db2.gz URZALFQNWTWCKR-UHFFFAOYSA-N 0 0 229.283 2.021 50 0 BEAARN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C=O ZINC000004826687 188276554 /nfs/dbraw/zinc/27/65/54/188276554.db2.gz YNUVAJRGRQBLLB-GARJFASQSA-N 0 0 212.289 2.189 50 0 BEAARN CC(=O)C(Cl)(Cl)C(=O)Nc1ccccc1 ZINC000004576894 188276788 /nfs/dbraw/zinc/27/67/88/188276788.db2.gz STYLOIFXMPTTDR-UHFFFAOYSA-N 0 0 246.093 2.388 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)O ZINC000005275371 188277434 /nfs/dbraw/zinc/27/74/34/188277434.db2.gz UJNOLBSYLSYIBM-DDHJBXDOSA-N 0 0 228.332 2.371 50 0 BEAARN S=C1N=NC(c2ccco2)N1Cc1ccco1 ZINC000005731204 188277547 /nfs/dbraw/zinc/27/75/47/188277547.db2.gz FNEXVRSIDFIWBL-UHFFFAOYSA-N 0 0 247.279 2.468 50 0 BEAARN S=C1N=NC(c2cccc(Cl)c2)N1 ZINC000005731016 188277872 /nfs/dbraw/zinc/27/78/72/188277872.db2.gz NTQZVPQAJQHJLJ-UHFFFAOYSA-N 0 0 211.677 2.414 50 0 BEAARN FC(F)(F)c1nc(NC2=NCCCCC2)n[nH]1 ZINC000005826332 188277906 /nfs/dbraw/zinc/27/79/06/188277906.db2.gz HGLFLFMGPVCRGB-UHFFFAOYSA-N 0 0 247.224 2.208 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)C2CCC2)cc1 ZINC000006336559 188278221 /nfs/dbraw/zinc/27/82/21/188278221.db2.gz MRRFCVPXSGPZPF-UHFFFAOYSA-N 0 0 232.283 2.384 50 0 BEAARN CC(=O)Nc1cccc(C(=O)N[C@@H](C)C(C)C)c1 ZINC000009364109 188278627 /nfs/dbraw/zinc/27/86/27/188278627.db2.gz NIWYCIPEZMJNDW-JTQLQIEISA-N 0 0 248.326 2.419 50 0 BEAARN O=c1[nH]ncc(NCC2CCCC2)c1Cl ZINC000036398248 188278711 /nfs/dbraw/zinc/27/87/11/188278711.db2.gz FIMABPQJJGSVJH-UHFFFAOYSA-N 0 0 227.695 2.025 50 0 BEAARN COc1ccc(CCNC(=O)[C@H]2C[C@H]2C)cc1 ZINC000013327935 188279077 /nfs/dbraw/zinc/27/90/77/188279077.db2.gz GRXVUOWENPEAJM-MFKMUULPSA-N 0 0 233.311 2.010 50 0 BEAARN COc1ccccc1NC(=O)NC1CCC1 ZINC000013331727 188279761 /nfs/dbraw/zinc/27/97/61/188279761.db2.gz QAYWVNUZJONRLY-UHFFFAOYSA-N 0 0 220.272 2.369 50 0 BEAARN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C=O ZINC000025625490 188282823 /nfs/dbraw/zinc/28/28/23/188282823.db2.gz YNUVAJRGRQBLLB-DCAQKATOSA-N 0 0 212.289 2.189 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cn1 ZINC000032787753 188284064 /nfs/dbraw/zinc/28/40/64/188284064.db2.gz IDDFUWPPEVJXIQ-MFKMUULPSA-N 0 0 247.342 2.436 50 0 BEAARN CC(=O)N(C)Cc1ccc(Br)s1 ZINC000032678764 188284317 /nfs/dbraw/zinc/28/43/17/188284317.db2.gz WJRQJLRTYHLKKI-UHFFFAOYSA-N 0 0 248.145 2.489 50 0 BEAARN CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000032354422 188284367 /nfs/dbraw/zinc/28/43/67/188284367.db2.gz MLGGIHJMFIHDQQ-UHFFFAOYSA-N 0 0 243.310 2.289 50 0 BEAARN CSC1=NCCN1C(=O)CC1=CCCCC1 ZINC000098018662 538114797 /nfs/dbraw/zinc/11/47/97/538114797.db2.gz AMDNJPPVJCJOMH-UHFFFAOYSA-N 0 0 238.356 2.438 50 0 BEAARN CO[C@@H]1CCCCC[C@H]1NC(=O)C(C)(C)C ZINC000098018996 538114798 /nfs/dbraw/zinc/11/47/98/538114798.db2.gz MOGVSUMPPDKTOI-GHMZBOCLSA-N 0 0 227.348 2.496 50 0 BEAARN C/C=C/C=C/C(=O)NCc1cccs1 ZINC000036396964 188285823 /nfs/dbraw/zinc/28/58/23/188285823.db2.gz VHAZZHCLBMAKEY-AOGGBPEJSA-N 0 0 207.298 2.497 50 0 BEAARN COCc1c(N)cccc1Br ZINC000036379890 188285883 /nfs/dbraw/zinc/28/58/83/188285883.db2.gz HUPZHEAJNZJLJR-UHFFFAOYSA-N 0 0 216.078 2.178 50 0 BEAARN CCc1[nH]nc(NC(=O)Nc2ccncc2)c1C ZINC000078777046 188290628 /nfs/dbraw/zinc/29/06/28/188290628.db2.gz KVPVQYMBKPKWAW-UHFFFAOYSA-N 0 0 245.286 2.320 50 0 BEAARN C=C(C(=O)OCC)P(=O)(OCC)OCC ZINC000038221805 188291016 /nfs/dbraw/zinc/29/10/16/188291016.db2.gz HGUXWCBODIJKDZ-UHFFFAOYSA-N 0 0 236.204 2.329 50 0 BEAARN CCOc1cc(Br)ccc1N ZINC000040571488 188292704 /nfs/dbraw/zinc/29/27/04/188292704.db2.gz FRYQWMDMRFFGRO-UHFFFAOYSA-N 0 0 216.078 2.430 50 0 BEAARN CC(C)=CC(=O)NC[C@](C)(O)c1ccsc1 ZINC000080892083 188292743 /nfs/dbraw/zinc/29/27/43/188292743.db2.gz MOFQEVQZLJVOIB-LBPRGKRZSA-N 0 0 239.340 2.038 50 0 BEAARN CCN(C)c1ccc(Br)cn1 ZINC000042376828 188293500 /nfs/dbraw/zinc/29/35/00/188293500.db2.gz SCGQKVZZOLPQBR-UHFFFAOYSA-N 0 0 215.094 2.300 50 0 BEAARN Cc1ccc(C(=O)CC[NH+](C)C)cc1C ZINC000045796181 188297807 /nfs/dbraw/zinc/29/78/07/188297807.db2.gz MTRCOLGJMQUSSF-UHFFFAOYSA-N 0 0 205.301 2.438 50 0 BEAARN CC(=O)NCCCSc1nc2ccccc2[nH]1 ZINC000049064816 188299009 /nfs/dbraw/zinc/29/90/09/188299009.db2.gz UVZGYLPXTUHROU-UHFFFAOYSA-N 0 0 249.339 2.181 50 0 BEAARN NCC(=O)c1ccc(Cl)cc1Cl ZINC000054965020 188300276 /nfs/dbraw/zinc/30/02/76/188300276.db2.gz VYQSJEQBJVHARP-UHFFFAOYSA-N 0 0 204.056 2.135 50 0 BEAARN COc1ccc(CN[C@@H](C)c2nccn2C)cc1 ZINC000070443330 188304615 /nfs/dbraw/zinc/30/46/15/188304615.db2.gz CZTLCGSTSPCWKW-NSHDSACASA-N 0 0 245.326 2.280 50 0 BEAARN CC(C)(O)c1ncc(Br)s1 ZINC000072194273 188306877 /nfs/dbraw/zinc/30/68/77/188306877.db2.gz JTHVMHSSQOPBCP-UHFFFAOYSA-N 0 0 222.107 2.133 50 0 BEAARN CCN(C)c1ccc(C(=O)O[C@@H](C)C(C)=O)cc1 ZINC000095956069 188321663 /nfs/dbraw/zinc/32/16/63/188321663.db2.gz AVFQPLNKZAGJIE-NSHDSACASA-N 0 0 249.310 2.277 50 0 BEAARN CC(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000041172458 188323039 /nfs/dbraw/zinc/32/30/39/188323039.db2.gz BAOUZUHTPNNJFB-LBPRGKRZSA-N 0 0 239.702 2.260 50 0 BEAARN Cc1cccc(C(=O)CC2OCCO2)c1C ZINC000085652253 188318148 /nfs/dbraw/zinc/31/81/48/188318148.db2.gz GVHSGGZHVUCEAC-UHFFFAOYSA-N 0 0 220.268 2.249 50 0 BEAARN CC(=O)NCCCSc1ccoc1C ZINC000131437232 188318229 /nfs/dbraw/zinc/31/82/29/188318229.db2.gz QTRDHNKKKWAWDJ-UHFFFAOYSA-N 0 0 213.302 2.206 50 0 BEAARN CC(C)COC[C@@H](C)NC(=O)NC(C)(C)C ZINC000095411237 188319551 /nfs/dbraw/zinc/31/95/51/188319551.db2.gz XLESSHYBBLGKLF-SNVBAGLBSA-N 0 0 230.352 2.145 50 0 BEAARN COc1ccc(CNc2cn(C)nc2C)cc1F ZINC000095445311 188319687 /nfs/dbraw/zinc/31/96/87/188319687.db2.gz UNURIUFTSVFWEZ-UHFFFAOYSA-N 0 0 249.289 2.488 50 0 BEAARN CCOC(=O)c1csc(CC2CC2)n1 ZINC000154324217 188332573 /nfs/dbraw/zinc/33/25/73/188332573.db2.gz BHWVZGIJESRJGV-UHFFFAOYSA-N 0 0 211.286 2.272 50 0 BEAARN Cc1ccc(CC(=O)NCC(C)C)cc1 ZINC000000464943 188334430 /nfs/dbraw/zinc/33/44/30/188334430.db2.gz SODXUVIOPUNVDK-UHFFFAOYSA-N 0 0 205.301 2.310 50 0 biogenic BEAARN CC(C)=CC/C=C1/CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000100742305 188335187 /nfs/dbraw/zinc/33/51/87/188335187.db2.gz XPGHNXMVHVOVHW-XAPDAFRNSA-N 0 0 233.311 2.342 50 0 biogenic BEAARN CC(Nc1ccccc1)=C1CCOC1=O ZINC000006316742 188337577 /nfs/dbraw/zinc/33/75/77/188337577.db2.gz RWAIILIXTWTSAD-PKNBQFBNSA-N 0 0 203.241 2.319 50 0 BEAARN C[C@@H]1OCC[C@H]1[S@@](=O)Cc1ccccc1F ZINC000170689326 188338384 /nfs/dbraw/zinc/33/83/84/188338384.db2.gz VKJNRBMNTUBNED-DUZHOBMZSA-N 0 0 242.315 2.252 50 0 BEAARN Cc1cc(C)n(-c2ccc(C=O)cc2F)n1 ZINC000020079219 188351855 /nfs/dbraw/zinc/35/18/55/188351855.db2.gz WNKQHUSBZQWDOF-UHFFFAOYSA-N 0 0 218.231 2.441 50 0 BEAARN C/C(=C\C(=O)Nc1ccccc1C(N)=O)C1CC1 ZINC000193747816 188352219 /nfs/dbraw/zinc/35/22/19/188352219.db2.gz KPZUPZXCONFYFY-CMDGGOBGSA-N 0 0 244.294 2.080 50 0 BEAARN CN(C)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000001402524 353386838 /nfs/dbraw/zinc/38/68/38/353386838.db2.gz MYGKAVHQHCUMIZ-UHFFFAOYSA-N 0 0 223.663 2.456 50 0 BEAARN Cc1cccc(CNC(=O)NC(C)C)c1 ZINC000032794786 188358388 /nfs/dbraw/zinc/35/83/88/188358388.db2.gz MQBDNDVSPSCUAN-UHFFFAOYSA-N 0 0 206.289 2.203 50 0 BEAARN Fc1cc2c[nH]nc2cc1Br ZINC000071790118 180956026 /nfs/dbraw/zinc/95/60/26/180956026.db2.gz PLGKUXUUBPDMAA-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN C[C@@H]1CCCCCN1C(=O)C1CCOCC1 ZINC000096406135 188364947 /nfs/dbraw/zinc/36/49/47/188364947.db2.gz NMFKDLIKBIUNLY-LLVKDONJSA-N 0 0 225.332 2.204 50 0 BEAARN NNc1cccc(Cl)c1Br ZINC000230279317 353484105 /nfs/dbraw/zinc/48/41/05/353484105.db2.gz XZFQKBVGVZTRHP-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN CC(C)CS(=O)(=O)c1cccc(F)c1 ZINC000087113650 353489683 /nfs/dbraw/zinc/48/96/83/353489683.db2.gz NINBJNNWIIEIAW-UHFFFAOYSA-N 0 0 216.277 2.255 50 0 BEAARN CC(=O)Nc1ccc(O[C@H]2COCC=C2C)cc1 ZINC000005241702 188405542 /nfs/dbraw/zinc/40/55/42/188405542.db2.gz QBTYIGJIFZDSDG-AWEZNQCLSA-N 0 0 247.294 2.369 50 0 BEAARN CCN1C(=O)O[C@](C)(Cc2ccccc2)[C@]1(C)O ZINC000001421328 353694134 /nfs/dbraw/zinc/69/41/34/353694134.db2.gz FONYFFBMSQCTHB-KGLIPLIRSA-N 0 0 249.310 2.168 50 0 BEAARN Fc1cccc2c(Br)n[nH]c21 ZINC000059269079 181004180 /nfs/dbraw/zinc/00/41/80/181004180.db2.gz IXPRELOGGMJHGB-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN FC(F)(F)c1ccn(Cc2ccccn2)n1 ZINC000165783060 353699688 /nfs/dbraw/zinc/69/96/88/353699688.db2.gz AOYDTCDCSJMHPI-UHFFFAOYSA-N 0 0 227.189 2.345 50 0 BEAARN Fc1cccc2[nH]nc(Br)c21 ZINC000014983435 181003830 /nfs/dbraw/zinc/00/38/30/181003830.db2.gz GEWAOEJPYFYDFT-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Fc1cnc(N2CCc3ccccc32)nc1 ZINC000301767618 181017226 /nfs/dbraw/zinc/01/72/26/181017226.db2.gz IKVSJAXQCVCAIS-UHFFFAOYSA-N 0 0 215.231 2.310 50 0 BEAARN Fc1cnc(NCC2CCSCC2)nc1 ZINC000158922508 181018574 /nfs/dbraw/zinc/01/85/74/181018574.db2.gz OMDHMNVEFYLWLP-UHFFFAOYSA-N 0 0 227.308 2.171 50 0 BEAARN Fc1nc(F)c(F)c(Br)c1F ZINC000002545334 181021321 /nfs/dbraw/zinc/02/13/21/181021321.db2.gz YZCGGIUJABHGRQ-UHFFFAOYSA-N 0 0 229.958 2.401 50 0 BEAARN Fc1nc2[nH]ccc2cc1Br ZINC000095920059 181021508 /nfs/dbraw/zinc/02/15/08/181021508.db2.gz QDVFZSYKDIQJSD-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN O=C(NCc1ccc[nH]1)[C@@H]1CCC(F)(F)C1 ZINC000335915910 133992799 /nfs/dbraw/zinc/99/27/99/133992799.db2.gz NJDWHMLNFHRGIT-MRVPVSSYSA-N 0 0 228.242 2.066 50 0 BEAARN N#CNC(=N)Nc1cc(Cl)ccc1Cl ZINC000020458312 181053543 /nfs/dbraw/zinc/05/35/43/181053543.db2.gz ONDAEJZGSYXDQX-UHFFFAOYSA-N 0 0 229.070 2.411 50 0 BEAARN C[C@H](F)CCNC(=O)N1CCCC2(CC2)C1 ZINC000334564859 354084131 /nfs/dbraw/zinc/08/41/31/354084131.db2.gz ORLBXKPRWIJBFT-JTQLQIEISA-N 0 0 228.311 2.320 50 0 BEAARN c1ccc2c(c1)CCC2N=Nc1cnccn1 ZINC000252474425 363323208 /nfs/dbraw/zinc/32/32/08/363323208.db2.gz DFKCVLODCBVCJF-UHFFFAOYSA-N 0 0 224.267 2.239 50 0 BEAARN CC(C)(NC(=O)[C@H](O)c1ccccc1)C1CC1 ZINC000073970367 354257192 /nfs/dbraw/zinc/25/71/92/354257192.db2.gz CCAACLSQVPECAF-GFCCVEGCSA-N 0 0 233.311 2.025 50 0 BEAARN CC1=C[C@H](C)CN(C(=O)c2cc(F)c[nH]2)C1 ZINC000335942667 134018087 /nfs/dbraw/zinc/01/80/87/134018087.db2.gz CVSXRPVLHYZHQO-QMMMGPOBSA-N 0 0 222.263 2.192 50 0 BEAARN CCCC(=O)NCCc1cn2ccc(C)cc2n1 ZINC000004248439 354875995 /nfs/dbraw/zinc/87/59/95/354875995.db2.gz LXYXPJJCKXLGAS-UHFFFAOYSA-N 0 0 245.326 2.102 50 0 BEAARN CCOC[C@H]1CCCCN1c1nc(C)ns1 ZINC000413414857 191381060 /nfs/dbraw/zinc/38/10/60/191381060.db2.gz AKXSIJNMDXVQNF-SNVBAGLBSA-N 0 0 241.360 2.242 50 0 BEAARN O=c1[nH]cc(C(F)(F)F)cc1-c1ccncc1 ZINC000047213818 355366826 /nfs/dbraw/zinc/36/68/26/355366826.db2.gz WLALPOQBSBJDBQ-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN N=C1N=NC(=N)C1=C1c2ccccc2NC1=O ZINC000072422436 181206510 /nfs/dbraw/zinc/20/65/10/181206510.db2.gz FYWKCHIAWPLPLB-UHFFFAOYSA-N 0 0 225.211 2.462 50 0 BEAARN N=C1NC(=O)/C(=C\C=C\c2ccccc2)S1 ZINC000013130593 181206919 /nfs/dbraw/zinc/20/69/19/181206919.db2.gz WCCUQWPSOQGNOO-DAAQNPAKSA-N 0 0 230.292 2.381 50 0 aggregator BEAARN N=C1NC(=O)[C@H](Cc2ccccc2Cl)S1 ZINC000018209144 181207346 /nfs/dbraw/zinc/20/73/46/181207346.db2.gz ZFPRPVGUXSGASP-QMMMGPOBSA-N 0 0 240.715 2.049 50 0 BEAARN NC(=O)[C@@H]1C[C@@H](F)CN1CC1=CCCCC1 ZINC000336264810 181205836 /nfs/dbraw/zinc/20/58/36/181205836.db2.gz OZFZHBUGKRHDFR-MNOVXSKESA-N 0 0 226.295 2.434 50 0 BEAARN N=C1NC(=O)[C@@H](c2ccccc2Cl)S1 ZINC000005165705 181207888 /nfs/dbraw/zinc/20/78/88/181207888.db2.gz TWJSQVWAFZYKCQ-SSDOTTSWSA-N 0 0 226.688 2.179 50 0 BEAARN N=C1SCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000004382697 181208212 /nfs/dbraw/zinc/20/82/12/181208212.db2.gz SSKVXJMVPLIGSV-UHFFFAOYSA-N 0 0 244.678 2.494 50 0 BEAARN Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)no1 ZINC000047464484 355756702 /nfs/dbraw/zinc/75/67/02/355756702.db2.gz CFLCCUJLMSZVKY-DTORHVGOSA-N 0 0 222.288 2.101 50 0 BEAARN NC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000006092650 181213406 /nfs/dbraw/zinc/21/34/06/181213406.db2.gz VETMUDCRMKPGOI-PLNGDYQASA-N 0 0 215.174 2.204 50 0 BEAARN NC(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000071602968 181213203 /nfs/dbraw/zinc/21/32/03/181213203.db2.gz BPRFEFAHXYCKRO-UTCJRWHESA-N 0 0 215.174 2.204 50 0 BEAARN Cc1nc(C(=O)NCc2ccc(C)cc2)co1 ZINC000022606289 355943418 /nfs/dbraw/zinc/94/34/18/355943418.db2.gz SAOWRXLGEOHVHD-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000000274649 181237845 /nfs/dbraw/zinc/23/78/45/181237845.db2.gz OIBNSGQTOOKKQG-UHFFFAOYSA-N 0 0 227.263 2.218 50 0 BEAARN NC(=O)COc1ccccc1-c1ccccc1 ZINC000015315436 181239312 /nfs/dbraw/zinc/23/93/12/181239312.db2.gz YOHQRRLVGLSQEG-UHFFFAOYSA-N 0 0 227.263 2.218 50 0 BEAARN NC(=O)CCc1ccc(Br)cc1F ZINC000049463655 181228333 /nfs/dbraw/zinc/22/83/33/181228333.db2.gz HRSPLAGTFZZHPK-UHFFFAOYSA-N 0 0 246.079 2.006 50 0 BEAARN NC(=O)Cc1ccc(Cl)cc1Cl ZINC000013329715 181245956 /nfs/dbraw/zinc/24/59/56/181245956.db2.gz NAYAHQPYRSIGCX-UHFFFAOYSA-N 0 0 204.056 2.021 50 0 BEAARN NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000001851824 181256071 /nfs/dbraw/zinc/25/60/71/181256071.db2.gz NEBHYUQDMJXPPF-UHFFFAOYSA-N 0 0 226.279 2.444 50 0 BEAARN NC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000336610103 181261717 /nfs/dbraw/zinc/26/17/17/181261717.db2.gz ZFSPBBFFEMXAGV-ONGXEEELSA-N 0 0 222.263 2.130 50 0 BEAARN NC(=O)Nc1cc(Cl)ccc1Cl ZINC000000137766 181261990 /nfs/dbraw/zinc/26/19/90/181261990.db2.gz MSPLDOXAOBJWDV-UHFFFAOYSA-N 0 0 205.044 2.484 50 0 BEAARN NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000398193 181261993 /nfs/dbraw/zinc/26/19/93/181261993.db2.gz FTJBMYITMFAUCP-UHFFFAOYSA-N 0 0 205.044 2.484 50 0 BEAARN NC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000072294273 181262524 /nfs/dbraw/zinc/26/25/24/181262524.db2.gz IBJAVAWWXRSBSH-UHFFFAOYSA-N 0 0 224.235 2.105 50 0 BEAARN NC(=O)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000331459 181263674 /nfs/dbraw/zinc/26/36/74/181263674.db2.gz NTMLLKRWCFUOAP-CYBMUJFWSA-N 0 0 239.274 2.138 50 0 BEAARN Nc1ccc(NC(=O)C2CCCCC2)nc1 ZINC000013483142 356367929 /nfs/dbraw/zinc/36/79/29/356367929.db2.gz WITWZJNZWRWQMN-UHFFFAOYSA-N 0 0 219.288 2.183 50 0 BEAARN C/C=C/C(=O)O[C@@H](C)COCCCC ZINC000003122400 356366738 /nfs/dbraw/zinc/36/67/38/356366738.db2.gz NTFWVBVBSKLUNH-STUBTGCMSA-N 0 0 200.278 2.311 50 0 BEAARN COCCc1noc(C(Cl)(Cl)Cl)n1 ZINC000238333315 356382380 /nfs/dbraw/zinc/38/23/80/356382380.db2.gz KUDQNJHQOZETBO-UHFFFAOYSA-N 0 0 245.493 2.085 50 0 BEAARN CC(=O)[C@H]1[C@@H]2C=C[C@H]3[C@H]2[C@@H]2[C@@H]1C=C[C@@H]2[C@@H]3C(C)=O ZINC000248382139 356384923 /nfs/dbraw/zinc/38/49/23/356384923.db2.gz WAFUAESYRJBJEJ-JNENZHJKSA-N 0 0 242.318 2.261 50 0 BEAARN CC[C@H](NC(=O)c1ccc2n[nH]nc2c1)C(C)C ZINC000049252391 356394052 /nfs/dbraw/zinc/39/40/52/356394052.db2.gz GQYFVBYSUFEEMQ-JTQLQIEISA-N 0 0 246.314 2.122 50 0 BEAARN NC(=O)[C@@H]1Cc2ccccc2N1[C@H]1C=CCCC1 ZINC000066497148 181274391 /nfs/dbraw/zinc/27/43/91/181274391.db2.gz BFIMYFNEDQVVMB-JSGCOSHPSA-N 0 0 242.322 2.012 50 0 BEAARN CC(C)CC(=O)Nc1cccnc1N(C)C ZINC000049304683 356413543 /nfs/dbraw/zinc/41/35/43/356413543.db2.gz ZCBQOCCYCAVIIT-UHFFFAOYSA-N 0 0 221.304 2.132 50 0 BEAARN O=C(CCC1CCCC1)Nc1cn[nH]c1 ZINC000035237576 356423923 /nfs/dbraw/zinc/42/39/23/356423923.db2.gz SOJGJAURTPIJKY-UHFFFAOYSA-N 0 0 207.277 2.319 50 0 BEAARN COC(=O)c1cnoc1-c1ccc(F)cc1 ZINC000019615568 356483981 /nfs/dbraw/zinc/48/39/81/356483981.db2.gz WPWZHEIAUPFTQI-UHFFFAOYSA-N 0 0 221.187 2.267 50 0 BEAARN NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000336162610 134111533 /nfs/dbraw/zinc/11/15/33/134111533.db2.gz GOUSKFWSAKOBFO-UHFFFAOYSA-N 0 0 218.178 2.282 50 0 BEAARN C/C=C1\CC(=O)N(c2ccc(C)cc2)C1=O ZINC000618255851 356469948 /nfs/dbraw/zinc/46/99/48/356469948.db2.gz APSSBEYUIAEQOC-XCVCLJGOSA-N 0 0 215.252 2.205 50 0 BEAARN NC(=O)[C@H](NCc1cccs1)c1ccccc1 ZINC000026219055 181278054 /nfs/dbraw/zinc/27/80/54/181278054.db2.gz CLNALQRJQUMKJP-GFCCVEGCSA-N 0 0 246.335 2.064 50 0 BEAARN NC(=O)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000000519611 181281600 /nfs/dbraw/zinc/28/16/00/181281600.db2.gz YMLOFDJHJSQCSN-JTQLQIEISA-N 0 0 214.268 2.073 50 0 biogenic,in-vivo BEAARN NC(=O)c1c(Cl)ccc(Cl)c1F ZINC000038529760 181285923 /nfs/dbraw/zinc/28/59/23/181285923.db2.gz VWGHBQNKCZPAQG-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN NC(=O)c1c(N)scc1-c1cccs1 ZINC000000476624 181286225 /nfs/dbraw/zinc/28/62/25/181286225.db2.gz AOKUOQRFZXRQBM-UHFFFAOYSA-N 0 0 224.310 2.158 50 0 BEAARN NC(=O)c1c(N)scc1-c1cccc(F)c1 ZINC000012398442 181286609 /nfs/dbraw/zinc/28/66/09/181286609.db2.gz BNMMAPVYSBTVRO-UHFFFAOYSA-N 0 0 236.271 2.235 50 0 BEAARN Cc1ccc(CNC(=O)c2cccnc2)cc1F ZINC000012868750 363486228 /nfs/dbraw/zinc/48/62/28/363486228.db2.gz SEDWJGKAOHWSBA-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1c(C(=O)N(C)C)cnn1-c1ccccc1F ZINC000012931827 363487998 /nfs/dbraw/zinc/48/79/98/363487998.db2.gz JYNHFIRUQFEUNJ-UHFFFAOYSA-N 0 0 247.273 2.022 50 0 BEAARN NC(=O)c1cc(-c2ccc(F)cc2)sc1N ZINC000100045151 181287404 /nfs/dbraw/zinc/28/74/04/181287404.db2.gz VBTAQVWRVWJQFL-UHFFFAOYSA-N 0 0 236.271 2.235 50 0 BEAARN CCN(CC)C(=O)c1ccc2c(c1)OCCCO2 ZINC000032716571 363553922 /nfs/dbraw/zinc/55/39/22/363553922.db2.gz QNXCOJMQZXPLNH-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN Cc1cc(CCC(=O)N(C)C)c(C)s1 ZINC000095965984 538608632 /nfs/dbraw/zinc/60/86/32/538608632.db2.gz JEPMGAYZHYKTOM-UHFFFAOYSA-N 0 0 211.330 2.386 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)N2CC(C)(C)C2(C)C)O1 ZINC000089922799 538586097 /nfs/dbraw/zinc/58/60/97/538586097.db2.gz FSHJBLIITCIKMH-NXEZZACHSA-N 0 0 225.332 2.201 50 0 BEAARN C[C@@H](Sc1nc2ncccn2n1)C(F)(F)F ZINC000095427333 538603652 /nfs/dbraw/zinc/60/36/52/538603652.db2.gz QFSONQJCVSCJFO-RXMQYKEDSA-N 0 0 248.233 2.167 50 0 BEAARN O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000095401256 538604784 /nfs/dbraw/zinc/60/47/84/538604784.db2.gz LYASYPJZWXINTL-VXGBXAGGSA-N 0 0 207.317 2.481 50 0 BEAARN CCNc1nc(C)c(C(=O)N2CCCC2)s1 ZINC000095406691 538607745 /nfs/dbraw/zinc/60/77/45/538607745.db2.gz XQDYYJRYJGIXSN-UHFFFAOYSA-N 0 0 239.344 2.119 50 0 BEAARN C[C@H]1CC[C@@H](C(=O)Nc2cc(O)cc(F)c2)O1 ZINC000095450290 538606393 /nfs/dbraw/zinc/60/63/93/538606393.db2.gz ZTASEZBMIDZFTR-CPCISQLKSA-N 0 0 239.246 2.037 50 0 BEAARN CNC(=O)N[C@H]1CCCC[C@H]1Oc1ccccc1 ZINC000095396872 538607019 /nfs/dbraw/zinc/60/70/19/538607019.db2.gz ZWGPEAZNLXAPGK-QWHCGFSZSA-N 0 0 248.326 2.306 50 0 BEAARN C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)C ZINC000095959983 538609801 /nfs/dbraw/zinc/60/98/01/538609801.db2.gz PDPKVLUVLMHLGQ-VWYCJHECSA-N 0 0 213.321 2.058 50 0 BEAARN C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)C ZINC000095959985 538611120 /nfs/dbraw/zinc/61/11/20/538611120.db2.gz PDPKVLUVLMHLGQ-OUAUKWLOSA-N 0 0 213.321 2.058 50 0 BEAARN Cc1ccc(NC(=O)NC2(CCO)CCC2)cc1 ZINC000075093682 356821529 /nfs/dbraw/zinc/82/15/29/356821529.db2.gz PJWIJKKPBYFHFP-UHFFFAOYSA-N 0 0 248.326 2.422 50 0 BEAARN Cn1cnc2ncnc(Nc3ccccc3)c21 ZINC000075249762 356913365 /nfs/dbraw/zinc/91/33/65/356913365.db2.gz JUYYINXXKWMTHX-UHFFFAOYSA-N 0 0 225.255 2.107 50 0 BEAARN CC(=O)O[C@@H]1CCCC(=O)[C@@H]2CC[C@H](C)[C@H]21 ZINC000075270640 356932661 /nfs/dbraw/zinc/93/26/61/356932661.db2.gz CTRGTIOYTQSBCH-LOHPEHISSA-N 0 0 224.300 2.333 50 0 BEAARN Cc1nccn1C[C@H]1COc2ccccc2O1 ZINC000585081119 538794052 /nfs/dbraw/zinc/79/40/52/538794052.db2.gz ZDPKANGNNJDDBO-NSHDSACASA-N 0 0 230.267 2.032 50 0 BEAARN CCc1c(C)c2c(O)cc(O)cc2oc1=O ZINC000011765928 357445465 /nfs/dbraw/zinc/44/54/65/357445465.db2.gz LMBVZRWOMBLLTP-UHFFFAOYSA-N 0 0 220.224 2.075 50 0 BEAARN Cc1nnc(COc2cc(F)ccc2C)o1 ZINC000230693586 357566849 /nfs/dbraw/zinc/56/68/49/357566849.db2.gz AIXWMRGVQAGJGA-UHFFFAOYSA-N 0 0 222.219 2.405 50 0 BEAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)n1 ZINC000016705333 538885267 /nfs/dbraw/zinc/88/52/67/538885267.db2.gz SLWCXTZYGLCBIW-UHFFFAOYSA-N 0 0 247.273 2.278 50 0 BEAARN Cc1c([C@@H](C)NC(=O)[C@@H]2CC=CCC2)cnn1C ZINC000025001346 357740926 /nfs/dbraw/zinc/74/09/26/357740926.db2.gz ZRIWVJQQFSTCRO-ZYHUDNBSSA-N 0 0 247.342 2.262 50 0 BEAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1CCCCCl ZINC000034519809 357918893 /nfs/dbraw/zinc/91/88/93/357918893.db2.gz VFNGULYKOYQZNT-AOOOYVTPSA-N 0 0 243.734 2.181 50 0 BEAARN COC[C@H](C)NC(=O)/C=C/c1cccc(C)c1 ZINC000040161023 358056365 /nfs/dbraw/zinc/05/63/65/358056365.db2.gz MBFQFDNIHYBWHT-GUOLPTJISA-N 0 0 233.311 2.159 50 0 BEAARN Cc1ccc(NC(=O)c2cccnc2)nc1 ZINC000000362416 358087049 /nfs/dbraw/zinc/08/70/49/358087049.db2.gz ZDNUIQSTZRWBLR-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1ccc(NC(=O)CN(C)C(=O)C(C)C)cc1 ZINC000013011540 358178552 /nfs/dbraw/zinc/17/85/52/358178552.db2.gz MJIRWTSVQYYEMD-UHFFFAOYSA-N 0 0 248.326 2.048 50 0 BEAARN CCOCC(=O)N1CCCc2ccccc21 ZINC000002734640 535410022 /nfs/dbraw/zinc/41/00/22/535410022.db2.gz NEPBAKUQRXIXJE-UHFFFAOYSA-N 0 0 219.284 2.002 50 0 BEAARN O=C(NCc1ccco1)[C@@H]1CC=CCC1 ZINC000052893322 358236095 /nfs/dbraw/zinc/23/60/95/358236095.db2.gz PBFFTRFVSNFOHG-SNVBAGLBSA-N 0 0 205.257 2.252 50 0 BEAARN CN(CC1CCCCC1)C(=O)[C@@H]1CCCO1 ZINC000040497915 358237243 /nfs/dbraw/zinc/23/72/43/358237243.db2.gz VYDUBXDLCXUBBC-LBPRGKRZSA-N 0 0 225.332 2.204 50 0 BEAARN NC(=O)c1ccc(N)cc1OC1CCCCC1 ZINC000070235247 181297613 /nfs/dbraw/zinc/29/76/13/181297613.db2.gz BIRVBJHCOKSILS-UHFFFAOYSA-N 0 0 234.299 2.079 50 0 BEAARN CCCc1cccc(C[N@H+](C)CC(=O)[O-])c1 ZINC000263430391 535431204 /nfs/dbraw/zinc/43/12/04/535431204.db2.gz RWSPQXIUPFXUKI-UHFFFAOYSA-N 0 0 221.300 2.156 50 0 BEAARN Cc1cc(C)n2c(C(=O)C(F)(F)F)cnc2n1 ZINC000001796916 358731078 /nfs/dbraw/zinc/73/10/78/358731078.db2.gz RRZXWHBFGIMGPI-UHFFFAOYSA-N 0 0 243.188 2.091 50 0 BEAARN NC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 ZINC000008074396 181298857 /nfs/dbraw/zinc/29/88/57/181298857.db2.gz URBJXHASBXSIPF-JTQLQIEISA-N 0 0 244.294 2.080 50 0 BEAARN Cc1cc(CC(=O)N(C)Cc2ccc(C)o2)on1 ZINC000578253758 366472897 /nfs/dbraw/zinc/47/28/97/366472897.db2.gz PYMQIVAOUUQZSK-UHFFFAOYSA-N 0 0 248.282 2.086 50 0 BEAARN Cc1c(NC(=O)CCc2ccccc2)cnn1C ZINC000028575033 358959996 /nfs/dbraw/zinc/95/99/96/358959996.db2.gz ZFMRSZHNLFQNHF-UHFFFAOYSA-N 0 0 243.310 2.300 50 0 BEAARN CNC(=O)c1sccc1SC(F)F ZINC000089391689 359346841 /nfs/dbraw/zinc/34/68/41/359346841.db2.gz HDBJKFSHLIFFFM-UHFFFAOYSA-N 0 0 223.269 2.422 50 0 BEAARN CC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041194565 166526782 /nfs/dbraw/zinc/52/67/82/166526782.db2.gz IBDMIFOARPMDBY-GHMZBOCLSA-N 0 0 225.332 2.203 50 0 BEAARN CCCn1nc(C)c2cnn(C(C)(C)C)c2c1=O ZINC000036665589 359668549 /nfs/dbraw/zinc/66/85/49/359668549.db2.gz NBHYWCNHXPKOLI-UHFFFAOYSA-N 0 0 248.330 2.066 50 0 BEAARN CC(C)(C)NC(=O)c1cccc2c[nH]nc21 ZINC000044249226 359703054 /nfs/dbraw/zinc/70/30/54/359703054.db2.gz WRDUXSGUYODZGR-UHFFFAOYSA-N 0 0 217.272 2.091 50 0 BEAARN CC1=CCN(C(=O)Nc2nccs2)CC1 ZINC000089919761 360048537 /nfs/dbraw/zinc/04/85/37/360048537.db2.gz IHWZEPMXZUCWIX-UHFFFAOYSA-N 0 0 223.301 2.327 50 0 BEAARN Cc1sc2ncnc(NC[C@H](C)O)c2c1C ZINC000006559728 360097027 /nfs/dbraw/zinc/09/70/27/360097027.db2.gz IFCCDPBUXHNJQQ-LURJTMIESA-N 0 0 237.328 2.101 50 0 BEAARN Cc1ccccc1Sc1nccn(C)c1=O ZINC000095403098 360337156 /nfs/dbraw/zinc/33/71/56/360337156.db2.gz BCSXLSQBSFAIFD-UHFFFAOYSA-N 0 0 232.308 2.240 50 0 BEAARN NC(=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000007690249 181300996 /nfs/dbraw/zinc/30/09/96/181300996.db2.gz WOHKWNGVDNYPAO-UHFFFAOYSA-N 0 0 241.246 2.005 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@]12CC[C@@H](O)C2 ZINC000306538453 360401094 /nfs/dbraw/zinc/40/10/94/360401094.db2.gz MKWIKFJAUQCTMU-MFKMUULPSA-N 0 0 241.331 2.301 50 0 BEAARN CO[C@@H]1CCC[C@@H](n2nnc3ccccc32)O1 ZINC000005356369 360488215 /nfs/dbraw/zinc/48/82/15/360488215.db2.gz PAKSAYRGTYTQEJ-RYUDHWBXSA-N 0 0 233.271 2.103 50 0 BEAARN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1 ZINC000036076066 360562951 /nfs/dbraw/zinc/56/29/51/360562951.db2.gz BWBOLIDGHJDZKG-SECBINFHSA-N 0 0 239.702 2.201 50 0 BEAARN CN(C)[C@@H](CNC(=O)C(C)(C)C)c1ccco1 ZINC000036078752 360568086 /nfs/dbraw/zinc/56/80/86/360568086.db2.gz RSJWSBCWRQNZAV-JTQLQIEISA-N 0 0 238.331 2.045 50 0 BEAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000006641505 360543360 /nfs/dbraw/zinc/54/33/60/360543360.db2.gz LHJUXZWAVZHIDP-ZYHUDNBSSA-N 0 0 247.294 2.133 50 0 BEAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000006641502 360543712 /nfs/dbraw/zinc/54/37/12/360543712.db2.gz LHJUXZWAVZHIDP-CMPLNLGQSA-N 0 0 247.294 2.133 50 0 BEAARN CC(C)[C@H](C)N(C(=O)Nc1cn[nH]c1)C1CC1 ZINC000078991749 219832184 /nfs/dbraw/zinc/83/21/84/219832184.db2.gz RHSIJSFERFTTOA-VIFPVBQESA-N 0 0 236.319 2.451 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000006699829 360607779 /nfs/dbraw/zinc/60/77/79/360607779.db2.gz QXRIRHWVDVXPOD-XCBNKYQSSA-N 0 0 215.256 2.157 50 0 BEAARN CC(C)(O)c1cncc(-c2ccccc2CO)c1 ZINC000426477497 219848751 /nfs/dbraw/zinc/84/87/51/219848751.db2.gz BXZBYMDBTILBLE-UHFFFAOYSA-N 0 0 243.306 2.468 50 0 BEAARN NC(=O)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000023623326 181304467 /nfs/dbraw/zinc/30/44/67/181304467.db2.gz WAHKAYSBXRAGRE-JTQLQIEISA-N 0 0 244.294 2.080 50 0 BEAARN NC(=O)c1ccccc1NC(=O)C1CCCCC1 ZINC000000335476 181305995 /nfs/dbraw/zinc/30/59/95/181305995.db2.gz QUXANUDLAGIWMU-UHFFFAOYSA-N 0 0 246.310 2.304 50 0 BEAARN NC(=O)c1cccnc1Nc1cccc(F)c1 ZINC000000481289 181307892 /nfs/dbraw/zinc/30/78/92/181307892.db2.gz QYIHDPWCKNIVLP-UHFFFAOYSA-N 0 0 231.230 2.063 50 0 BEAARN NC(=O)c1ccsc1NC(=O)c1ccccc1 ZINC000004281482 181308356 /nfs/dbraw/zinc/30/83/56/181308356.db2.gz YIEFAXKYWGGKEC-UHFFFAOYSA-N 0 0 246.291 2.099 50 0 BEAARN CC(C)(C)c1ccc(NNC(N)=S)cc1 ZINC000001392609 200650494 /nfs/dbraw/zinc/65/04/94/200650494.db2.gz ZYCPJGDYJAJKDJ-UHFFFAOYSA-N 0 0 223.345 2.144 50 0 BEAARN CC(C)(C)[C@H](NS(C)(=O)=O)c1cccs1 ZINC000041627184 200655008 /nfs/dbraw/zinc/65/50/08/200655008.db2.gz WZIBMHDSPGWTQG-SECBINFHSA-N 0 0 247.385 2.385 50 0 BEAARN NC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000000139453 181312644 /nfs/dbraw/zinc/31/26/44/181312644.db2.gz QVFYSIYIYDCZKU-UHFFFAOYSA-N 0 0 225.462 2.141 50 0 BEAARN NC(=O)c1nc(-c2ccccc2)oc1Cl ZINC000075772100 181312950 /nfs/dbraw/zinc/31/29/50/181312950.db2.gz BOOJFIOTCAUJQA-UHFFFAOYSA-N 0 0 222.631 2.094 50 0 BEAARN NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000000111143 181319418 /nfs/dbraw/zinc/31/94/18/181319418.db2.gz OWTDDZMFRLUBQI-UHFFFAOYSA-N 0 0 220.219 2.361 50 0 BEAARN COC(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000006844165 360991598 /nfs/dbraw/zinc/99/15/98/360991598.db2.gz UYKPOWLXZPFYTL-JTQLQIEISA-N 0 0 208.257 2.244 50 0 BEAARN Cc1cccc(C(=O)O[C@H]2CCCC[C@H]2O)c1 ZINC000006924222 361140289 /nfs/dbraw/zinc/14/02/89/361140289.db2.gz JPURYESJVOFUNF-OLZOCXBDSA-N 0 0 234.295 2.455 50 0 BEAARN COC(=O)[C@H]1CON=C1c1c(C)cc(C)cc1C ZINC000007036796 361181778 /nfs/dbraw/zinc/18/17/78/361181778.db2.gz VKUQUYYOFMRWMQ-NSHDSACASA-N 0 0 247.294 2.135 50 0 BEAARN COc1c(C)cc(-c2ncnc(N)c2C)cc1C ZINC000426383078 200981518 /nfs/dbraw/zinc/98/15/18/200981518.db2.gz GWSSKUPIBPFYBF-UHFFFAOYSA-N 0 0 243.310 2.490 50 0 BEAARN CCc1nc(-c2cc(OC)ccc2OC)n(C)n1 ZINC000426495883 200990744 /nfs/dbraw/zinc/99/07/44/200990744.db2.gz WPZDEGVKZWOBDZ-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN CC(=O)NCc1ccc(-c2ccnc(C)c2)nc1 ZINC000426733991 200998810 /nfs/dbraw/zinc/99/88/10/200998810.db2.gz JBNASSKQZRLEAT-UHFFFAOYSA-N 0 0 241.294 2.088 50 0 BEAARN O=C(OCc1ccccn1)c1ccccc1O ZINC000036723948 361391113 /nfs/dbraw/zinc/39/11/13/361391113.db2.gz XGSSAESCCGIFSY-UHFFFAOYSA-N 0 0 229.235 2.144 50 0 BEAARN CC[C@@H](C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000036730045 361392920 /nfs/dbraw/zinc/39/29/20/361392920.db2.gz FCLBELVJVJPIBP-SNVBAGLBSA-N 0 0 249.310 2.120 50 0 BEAARN CCCCCNc1cccc(-c2nn[nH]n2)c1 ZINC000037102005 361671296 /nfs/dbraw/zinc/67/12/96/361671296.db2.gz CVXKDXLZCIFNBL-UHFFFAOYSA-N 0 0 231.303 2.469 50 0 BEAARN CSCC[C@@H]([NH2+]CC1CCCCC1)C(=O)[O-] ZINC000041689779 361711001 /nfs/dbraw/zinc/71/10/01/361711001.db2.gz UDFHQLDCTCWQQC-LLVKDONJSA-N 0 0 245.388 2.363 50 0 BEAARN CC(C)Oc1cncc(NCc2ccncc2)n1 ZINC000130624483 363819288 /nfs/dbraw/zinc/81/92/88/363819288.db2.gz CYNIBKMLINAKMQ-UHFFFAOYSA-N 0 0 244.298 2.271 50 0 BEAARN CC[C@@H]1C[C@@H]1NC(=O)[C@H]1COc2ccccc21 ZINC000252587233 363904839 /nfs/dbraw/zinc/90/48/39/363904839.db2.gz WOFIRLDXWZDIPP-USWWRNFRSA-N 0 0 231.295 2.077 50 0 BEAARN c1cc(-c2cccnc2)n(Cc2ccccn2)n1 ZINC000097148427 541325218 /nfs/dbraw/zinc/32/52/18/541325218.db2.gz HXHCXAACTGHBRG-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN O[C@H]1CCC[C@@H]1N1CCCc2ccccc21 ZINC000037489605 364067160 /nfs/dbraw/zinc/06/71/60/364067160.db2.gz QUKWNFUUTBVFCD-KBPBESRZSA-N 0 0 217.312 2.353 50 0 BEAARN [NH3+]CCc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000000056357 181411406 /nfs/dbraw/zinc/41/14/06/181411406.db2.gz XCPLGERAJDQHNW-UHFFFAOYSA-N 0 0 238.674 2.021 50 0 BEAARN CC(=O)[C@H]1COc2cccc(Cl)c2C1 ZINC000675063759 541465567 /nfs/dbraw/zinc/46/55/67/541465567.db2.gz NTLYGISWPUXWIL-MRVPVSSYSA-N 0 0 210.660 2.480 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)c2ccncc2)n1C ZINC000027407027 541499593 /nfs/dbraw/zinc/49/95/93/541499593.db2.gz ODGSEGCNSHZZNA-LLVKDONJSA-N 0 0 243.310 2.220 50 0 BEAARN Cc1ccc(CNC(=O)NC2CCCC2)n1C ZINC000030988034 541500593 /nfs/dbraw/zinc/50/05/93/541500593.db2.gz CMBAXDVPXMPJKC-UHFFFAOYSA-N 0 0 235.331 2.075 50 0 BEAARN COc1ccc(C)cc1CN(C)C(=O)N(C)C ZINC000032860268 541501670 /nfs/dbraw/zinc/50/16/70/541501670.db2.gz OLIOHGRHLCBHBW-UHFFFAOYSA-N 0 0 236.315 2.117 50 0 BEAARN Nc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000003173227 367818806 /nfs/dbraw/zinc/81/88/06/367818806.db2.gz MUHCGJWMGILNAJ-UHFFFAOYSA-N 0 0 229.070 2.361 50 0 BEAARN CO[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000036436675 368323992 /nfs/dbraw/zinc/32/39/92/368323992.db2.gz UGOMDKUOPGHQJY-CYBMUJFWSA-N 0 0 249.310 2.434 50 0 BEAARN O=C(NCc1ccc2[nH]cnc2c1)C1CC=CC1 ZINC000615790504 368309311 /nfs/dbraw/zinc/30/93/11/368309311.db2.gz XCDJQCKBSSEPNV-UHFFFAOYSA-N 0 0 241.294 2.145 50 0 BEAARN CCOC(=O)c1sc(CC)cc1NC(C)=O ZINC000019925134 368373297 /nfs/dbraw/zinc/37/32/97/368373297.db2.gz CEAPIYWJPWQRMK-UHFFFAOYSA-N 0 0 241.312 2.446 50 0 BEAARN CCO[C@@H]1CN(C)C[C@H](c2ccccc2)O1 ZINC000095918174 368382467 /nfs/dbraw/zinc/38/24/67/368382467.db2.gz JGUIJGYNKPSEDJ-OLZOCXBDSA-N 0 0 221.300 2.052 50 0 BEAARN Cc1cc(Cl)c(Cl)c(C(N)=O)c1 ZINC000137718907 368389013 /nfs/dbraw/zinc/38/90/13/368389013.db2.gz SDLNXECADKVSFL-UHFFFAOYSA-N 0 0 204.056 2.401 50 0 BEAARN CC(=O)O[C@@H](C)c1ncnc(Cl)c1Cl ZINC000137778694 368389196 /nfs/dbraw/zinc/38/91/96/368389196.db2.gz DAODUYDKFKFJFS-BYPYZUCNSA-N 0 0 235.070 2.408 50 0 BEAARN CCOC(=O)c1cc(Cl)nc2n[nH]c(C)c21 ZINC000219650580 368400871 /nfs/dbraw/zinc/40/08/71/368400871.db2.gz RGQZVEXLCYVQHY-UHFFFAOYSA-N 0 0 239.662 2.096 50 0 BEAARN O=C(c1ccc(F)cc1)n1nnc2ccccc21 ZINC000000282707 368529202 /nfs/dbraw/zinc/52/92/02/368529202.db2.gz HQQCCQFFYVPHGB-UHFFFAOYSA-N 0 0 241.225 2.259 50 0 BEAARN O=C(c1cc(O)ccc1F)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000584884362 369032795 /nfs/dbraw/zinc/03/27/95/369032795.db2.gz URPWISOJPIOGME-AOOOYVTPSA-N 0 0 249.285 2.403 50 0 BEAARN CC(C)(C)CC1(NC(=O)CCc2cn[nH]c2)CC1 ZINC000584886318 369034214 /nfs/dbraw/zinc/03/42/14/369034214.db2.gz PTWOQBBCHWBMAH-UHFFFAOYSA-N 0 0 249.358 2.427 50 0 BEAARN O=C(c1cccc(O)c1)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000584890142 369037610 /nfs/dbraw/zinc/03/76/10/369037610.db2.gz PEKCMKXDYAGJFH-PHIMTYICSA-N 0 0 231.295 2.264 50 0 BEAARN CC(C)C[C@@H](O)C(=O)N1CCC2(CCCC2)C1 ZINC000584895251 369042336 /nfs/dbraw/zinc/04/23/36/369042336.db2.gz RQGCAYDLSZMIHR-GFCCVEGCSA-N 0 0 239.359 2.186 50 0 BEAARN c1csc(-c2noc(CCc3c[nH]cn3)n2)c1 ZINC000225507027 370958219 /nfs/dbraw/zinc/95/82/19/370958219.db2.gz MIKQBVLNZIPTNZ-UHFFFAOYSA-N 0 0 246.295 2.306 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000012978795 370992190 /nfs/dbraw/zinc/99/21/90/370992190.db2.gz VMXFEYGUMZFKSB-SECBINFHSA-N 0 0 244.294 2.056 50 0 BEAARN COC(=O)c1cc(F)c([O-])c(Br)c1 ZINC000113742954 370460717 /nfs/dbraw/zinc/46/07/17/370460717.db2.gz WUXIMTUXBDBVOH-UHFFFAOYSA-N 0 0 249.035 2.080 50 0 BEAARN CC(C)n1ncc(N2CCCC2)c(Cl)c1=O ZINC000027757212 370507412 /nfs/dbraw/zinc/50/74/12/370507412.db2.gz YNMSWVKECMVVNZ-UHFFFAOYSA-N 0 0 241.722 2.078 50 0 BEAARN CCOC(=O)c1cc(C(F)(F)F)cnc1F ZINC000390372132 371197193 /nfs/dbraw/zinc/19/71/93/371197193.db2.gz JHVSIBRYMZEDCM-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN COCc1noc(CNc2ccccc2C)n1 ZINC000020119667 371231750 /nfs/dbraw/zinc/23/17/50/371231750.db2.gz FRYYRPBQBQSSFH-UHFFFAOYSA-N 0 0 233.271 2.137 50 0 BEAARN O=C([C@@H]1CC=CCC1)N1CC[C@H](OCC2CC2)C1 ZINC000390832018 371239267 /nfs/dbraw/zinc/23/92/67/371239267.db2.gz WQQFHYYRBKICTJ-KGLIPLIRSA-N 0 0 249.354 2.370 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccccc1OC(F)(F)F ZINC000019503383 181612480 /nfs/dbraw/zinc/61/24/80/181612480.db2.gz OMUCIBHXELVTMP-SSDOTTSWSA-N 0 0 249.188 2.060 50 0 BEAARN Cc1oc(-c2cccc(F)c2)[n+]([O-])c1C ZINC000020663810 371311277 /nfs/dbraw/zinc/31/12/77/371311277.db2.gz ASXXXHXSYAYZSK-UHFFFAOYSA-N 0 0 207.204 2.336 50 0 BEAARN Nc1cc(Br)cnc1Cl ZINC000002582882 181677443 /nfs/dbraw/zinc/67/74/43/181677443.db2.gz ZSEZSALOLWCCGT-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Nc1cc(F)cc(OC(F)(F)F)c1F ZINC000263624312 181685717 /nfs/dbraw/zinc/68/57/17/181685717.db2.gz PFUIFKKJLNTLDS-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN Nc1cc(F)ccc1OC[C@H]1CCCCO1 ZINC000014629862 181688145 /nfs/dbraw/zinc/68/81/45/181688145.db2.gz ZOAQUIWZZYQJRO-SNVBAGLBSA-N 0 0 225.263 2.356 50 0 BEAARN CCN(Cc1cccs1)[C@@H]1C[C@H](C)OC1=O ZINC000095978490 371369528 /nfs/dbraw/zinc/36/95/28/371369528.db2.gz SODIJYHNZQMAKB-GXSJLCMTSA-N 0 0 239.340 2.274 50 0 BEAARN Nc1cccc(NC(=O)COc2ccccc2)c1 ZINC000012138163 181746016 /nfs/dbraw/zinc/74/60/16/181746016.db2.gz DMAFRSDTNJKKFR-UHFFFAOYSA-N 0 0 242.278 2.286 50 0 BEAARN Nc1ccccc1SC[C@H](O)C(F)(F)F ZINC000001399177 181758358 /nfs/dbraw/zinc/75/83/58/181758358.db2.gz AAOGCBBNMYTQGP-QMMMGPOBSA-N 0 0 237.246 2.284 50 0 BEAARN Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 ZINC000002558369 181761107 /nfs/dbraw/zinc/76/11/07/181761107.db2.gz FIKZUMYTIFYXAB-UHFFFAOYSA-N 0 0 245.179 2.070 50 0 BEAARN Cc1nonc1C(=O)Nc1cccc(C)c1F ZINC000225548394 371555464 /nfs/dbraw/zinc/55/54/64/371555464.db2.gz ZKMXEAHDHNOWII-UHFFFAOYSA-N 0 0 235.218 2.078 50 0 BEAARN Nc1n[nH]c2cc(C(F)(F)F)ccc12 ZINC000000332239 181774393 /nfs/dbraw/zinc/77/43/93/181774393.db2.gz ZMPFPQFXUYYHSJ-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 BEAARN CC(C)(C)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000028076077 371567264 /nfs/dbraw/zinc/56/72/64/371567264.db2.gz HSJGBRGCIAEXDP-NSHDSACASA-N 0 0 247.338 2.400 50 0 BEAARN CCCC[C@H](C)C(=O)N(C)Cc1ccnn1C ZINC000225704251 371567472 /nfs/dbraw/zinc/56/74/72/371567472.db2.gz ICUJPUMWSZHZPQ-NSHDSACASA-N 0 0 237.347 2.205 50 0 BEAARN Nc1n[nH]cc1-c1ccc(F)cc1Cl ZINC000012404900 181774794 /nfs/dbraw/zinc/77/47/94/181774794.db2.gz VXMMNHKICXWJKT-UHFFFAOYSA-N 0 0 211.627 2.451 50 0 BEAARN Nc1nc(-c2ccc3nsnc3c2)cs1 ZINC000096124475 181777790 /nfs/dbraw/zinc/77/77/90/181777790.db2.gz BHQMUSWEEJMJAR-UHFFFAOYSA-N 0 0 234.309 2.397 50 0 BEAARN CCSc1nnc(NC(=O)[C@@H]2C[C@@H]2C)s1 ZINC000002648647 371622083 /nfs/dbraw/zinc/62/20/83/371622083.db2.gz BLVUYYRLEVJVSH-NTSWFWBYSA-N 0 0 243.357 2.245 50 0 BEAARN Cc1cc(C(=O)NC2CCCC2)nn1C(F)F ZINC000002732459 371642909 /nfs/dbraw/zinc/64/29/09/371642909.db2.gz XHVFETBWIXMSLY-UHFFFAOYSA-N 0 0 243.257 2.259 50 0 BEAARN Nc1nc2ccc(C(F)(F)F)cc2o1 ZINC000097757408 181793102 /nfs/dbraw/zinc/79/31/02/181793102.db2.gz QOKUYESFCHHLDM-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN Nc1nc2scc(-c3ccc(F)cc3)n2n1 ZINC000031891229 181795276 /nfs/dbraw/zinc/79/52/76/181795276.db2.gz DHADUCHFKYLSIE-UHFFFAOYSA-N 0 0 234.259 2.179 50 0 BEAARN Cc1nc(NCc2cc(C)ccc2F)n(C)n1 ZINC000162460438 371688350 /nfs/dbraw/zinc/68/83/50/371688350.db2.gz IEMFMLHUKJXKOV-UHFFFAOYSA-N 0 0 234.278 2.183 50 0 BEAARN CCN(N)C(=S)Nc1ccc(Cl)cc1 ZINC000003246027 371927123 /nfs/dbraw/zinc/92/71/23/371927123.db2.gz JNKJEKUKNDGBJF-UHFFFAOYSA-N 0 0 229.736 2.232 50 0 BEAARN O=C(OCc1ccccc1)c1ccncc1 ZINC000003251016 371930792 /nfs/dbraw/zinc/93/07/92/371930792.db2.gz VXDBNGYOQMIPAT-UHFFFAOYSA-N 0 0 213.236 2.439 50 0 BEAARN O=C(/C=C/c1cccs1)NC[C@H]1CCCO1 ZINC000000474336 181845071 /nfs/dbraw/zinc/84/50/71/181845071.db2.gz XBRMYHOFSPOFPL-BRAIEQGRSA-N 0 0 237.324 2.057 50 0 BEAARN O=C(/C=C\c1ccccc1)OCc1cnccn1 ZINC000096297570 181849340 /nfs/dbraw/zinc/84/93/40/181849340.db2.gz LUCRGTUCTJXUKL-SREVYHEPSA-N 0 0 240.262 2.233 50 0 BEAARN CC[C@H]1CCCCN1C(=O)C1CCOCC1 ZINC000058291327 372004946 /nfs/dbraw/zinc/00/49/46/372004946.db2.gz VMKFKTVDSWHKOH-LBPRGKRZSA-N 0 0 225.332 2.204 50 0 BEAARN CCCn1nccc1NC(=O)c1ccco1 ZINC000031770637 372106325 /nfs/dbraw/zinc/10/63/25/372106325.db2.gz WLTPNDIULVQHOF-UHFFFAOYSA-N 0 0 219.244 2.138 50 0 BEAARN Cl/C=C(/Cl)CN1CCC[C@H]1c1nc[nH]n1 ZINC000606445957 372105087 /nfs/dbraw/zinc/10/50/87/372105087.db2.gz ZNSBJUSCICMOGV-IPWDFOCMSA-N 0 0 247.129 2.261 50 0 BEAARN Clc1ccccc1-c1ccnc2nncn21 ZINC000032095943 372148348 /nfs/dbraw/zinc/14/83/48/372148348.db2.gz HAQURHRSIDAQNK-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN O=C(C1CCOCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089818829 181871712 /nfs/dbraw/zinc/87/17/12/181871712.db2.gz XPMUXKYNHPNVTI-BETUJISGSA-N 0 0 237.343 2.062 50 0 BEAARN O=C(CC1=CCCCC1)Nc1cnccn1 ZINC000126971788 181885878 /nfs/dbraw/zinc/88/58/78/181885878.db2.gz KNMBUZZLMBUXTN-UHFFFAOYSA-N 0 0 217.272 2.306 50 0 BEAARN O=C(CCC1CCCC1)Nc1nncs1 ZINC000005705314 181907354 /nfs/dbraw/zinc/90/73/54/181907354.db2.gz NQBXVROUYCZCBW-UHFFFAOYSA-N 0 0 225.317 2.447 50 0 BEAARN C[C@@H](Cc1cccs1)NC(=O)c1ccno1 ZINC000038565710 372703409 /nfs/dbraw/zinc/70/34/09/372703409.db2.gz DHZMGVXJYZZOCQ-QMMMGPOBSA-N 0 0 236.296 2.097 50 0 BEAARN CCCn1cnc(-c2ccc(F)cc2)cc1=O ZINC000038903140 372811358 /nfs/dbraw/zinc/81/13/58/372811358.db2.gz AARHLFNFUCXHPE-UHFFFAOYSA-N 0 0 232.258 2.459 50 0 BEAARN O=C(CSc1ccc2c(c1)CCC2)N1CCC1 ZINC000032780928 182008808 /nfs/dbraw/zinc/00/88/08/182008808.db2.gz BJXZVCMYIDOVKB-UHFFFAOYSA-N 0 0 247.363 2.500 50 0 BEAARN Cc1cc(C)cc(COC(=O)c2cnccn2)c1 ZINC000008756004 372883134 /nfs/dbraw/zinc/88/31/34/372883134.db2.gz DIMBWWZPUFZIFM-UHFFFAOYSA-N 0 0 242.278 2.450 50 0 BEAARN O=C(C[C@@H]1C=CCC1)Nc1nccs1 ZINC000012872730 182015193 /nfs/dbraw/zinc/01/51/93/182015193.db2.gz DEDWOJGGNGNSBV-MRVPVSSYSA-N 0 0 208.286 2.438 50 0 BEAARN O=C(Cc1c(F)cccc1Cl)NC1CC1 ZINC000048089484 182032527 /nfs/dbraw/zinc/03/25/27/182032527.db2.gz ZNWVVKSILXMZDF-UHFFFAOYSA-N 0 0 227.666 2.300 50 0 BEAARN O=C(Cc1ccc(F)cc1)NC1CCCC1 ZINC000000318576 182035336 /nfs/dbraw/zinc/03/53/36/182035336.db2.gz GDEVEGYGAADAAH-UHFFFAOYSA-N 0 0 221.275 2.427 50 0 BEAARN O=C(Cc1ccc2c(c1)CCCC2)NC1CC1 ZINC000036686272 182038226 /nfs/dbraw/zinc/03/82/26/182038226.db2.gz QNIMOCRLJKAQIE-UHFFFAOYSA-N 0 0 229.323 2.387 50 0 BEAARN O=C(Cc1ccccc1Cl)[C@H]1CCOC1 ZINC000048627338 182045405 /nfs/dbraw/zinc/04/54/05/182045405.db2.gz WKELVGDAWDAQFI-JTQLQIEISA-N 0 0 224.687 2.488 50 0 BEAARN O=C(Cc1ccccc1F)NCc1ccncc1 ZINC000016579860 182045525 /nfs/dbraw/zinc/04/55/25/182045525.db2.gz VMIBTKFOKOOBEJ-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1ccccn1)Nc1ccccc1 ZINC000000259188 182046772 /nfs/dbraw/zinc/04/67/72/182046772.db2.gz VRHXDURRCKBYRU-UHFFFAOYSA-N 0 0 212.252 2.263 50 0 BEAARN O=C(Cc1cccs1)N1CCC=C(F)C1 ZINC000272308663 182051700 /nfs/dbraw/zinc/05/17/00/182051700.db2.gz XZYUQJWKHDSRPK-UHFFFAOYSA-N 0 0 225.288 2.376 50 0 BEAARN O=C(Cc1cccs1)NCc1ccncc1 ZINC000000380456 182052754 /nfs/dbraw/zinc/05/27/54/182052754.db2.gz SMGNUYKXEUBRNV-UHFFFAOYSA-N 0 0 232.308 2.002 50 0 BEAARN O=C(c1ccccc1F)C1CCOCC1 ZINC000068956718 373099573 /nfs/dbraw/zinc/09/95/73/373099573.db2.gz QDUMAVRTLFJNAP-UHFFFAOYSA-N 0 0 208.232 2.435 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)C1CCC1 ZINC000040074728 373101152 /nfs/dbraw/zinc/10/11/52/373101152.db2.gz HQJUNOSNCCLKFY-SECBINFHSA-N 0 0 207.273 2.127 50 0 BEAARN Cn1c(C(=O)NCc2ccco2)cc2occc21 ZINC000040287686 373161185 /nfs/dbraw/zinc/16/11/85/373161185.db2.gz FKBXIYUOFRLBGA-UHFFFAOYSA-N 0 0 244.250 2.294 50 0 BEAARN O=C(N1CCc2ccccc2C1)C(F)(F)Cl ZINC000005948395 182083740 /nfs/dbraw/zinc/08/37/40/182083740.db2.gz SECVHGUVQKWSGE-UHFFFAOYSA-N 0 0 245.656 2.403 50 0 BEAARN O=C(N1CCc2ccccc21)C(F)(F)F ZINC000002566395 182083417 /nfs/dbraw/zinc/08/34/17/182083417.db2.gz NPSZSUAIVBOFOY-UHFFFAOYSA-N 0 0 215.174 2.138 50 0 BEAARN O=C(NC1=NCCS1)[C@@H]1C[C@H]1c1ccccc1 ZINC000002737100 182092921 /nfs/dbraw/zinc/09/29/21/182092921.db2.gz KRMDOGUODZDKRY-WDEREUQCSA-N 0 0 246.335 2.009 50 0 BEAARN CC(C)CSCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040456871 373276189 /nfs/dbraw/zinc/27/61/89/373276189.db2.gz GUAKJPKCIFVRPO-PHIMTYICSA-N 0 0 245.388 2.011 50 0 BEAARN O=C(NC1(C(F)F)CC1)c1ccccc1 ZINC000336250783 182089673 /nfs/dbraw/zinc/08/96/73/182089673.db2.gz XPVQJNVPGMNYPO-UHFFFAOYSA-N 0 0 211.211 2.214 50 0 BEAARN COC(=O)c1occc1CN1CCC[C@H](C)C1 ZINC000040475776 373293492 /nfs/dbraw/zinc/29/34/92/373293492.db2.gz INARRJMCCIMNDN-JTQLQIEISA-N 0 0 237.299 2.298 50 0 BEAARN CC(C)=CCN1CCN(Cc2cc(C)no2)CC1 ZINC000040475954 373294185 /nfs/dbraw/zinc/29/41/85/373294185.db2.gz CTLHFXGYMNCDSN-UHFFFAOYSA-N 0 0 249.358 2.067 50 0 BEAARN Cc1ccc(CN(C)[C@@H]2C[C@H](C)OC2=O)c(C)c1 ZINC000040477643 373295922 /nfs/dbraw/zinc/29/59/22/373295922.db2.gz LCGBZLIALHHGHC-GXTWGEPZSA-N 0 0 247.338 2.439 50 0 BEAARN O=C(NC1CC1)c1ccc2ncsc2c1 ZINC000003408460 182099416 /nfs/dbraw/zinc/09/94/16/182099416.db2.gz KPTCXBSPXZGLFG-UHFFFAOYSA-N 0 0 218.281 2.189 50 0 BEAARN O=C(NC1CC1)c1cc2cc(F)ccc2[nH]1 ZINC000012946858 182099781 /nfs/dbraw/zinc/09/97/81/182099781.db2.gz IJUDJNJEHICTQD-UHFFFAOYSA-N 0 0 218.231 2.199 50 0 BEAARN O=C(NC1CC1)c1cccc(-n2cccc2)c1 ZINC000014796816 182100405 /nfs/dbraw/zinc/10/04/05/182100405.db2.gz WRGRHSIHKCSOMK-UHFFFAOYSA-N 0 0 226.279 2.370 50 0 BEAARN O=C(NC1CCCCCCC1)C(=O)c1ccc[nH]1 ZINC000065083565 182114201 /nfs/dbraw/zinc/11/42/01/182114201.db2.gz VZNZCAXKDDWNJB-UHFFFAOYSA-N 0 0 248.326 2.427 50 0 BEAARN O=C(CC[C@H]1CCCO1)NCc1cccs1 ZINC000040506201 373370951 /nfs/dbraw/zinc/37/09/51/373370951.db2.gz OHYSXVLEKJNGMK-SNVBAGLBSA-N 0 0 239.340 2.324 50 0 BEAARN O=C(NC1CCCCC1)N1CC=CCC1 ZINC000000187025 182111031 /nfs/dbraw/zinc/11/10/31/182111031.db2.gz TZRUSSNBYUBOKM-UHFFFAOYSA-N 0 0 208.305 2.291 50 0 BEAARN O=C(NCC(F)(F)F)Nc1ccccc1 ZINC000000528719 182123137 /nfs/dbraw/zinc/12/31/37/182123137.db2.gz YXAZFRCPJLUPOX-UHFFFAOYSA-N 0 0 218.178 2.370 50 0 BEAARN CC(C)(C)CCNC(=O)CC[C@H]1CCCO1 ZINC000040514201 373415206 /nfs/dbraw/zinc/41/52/06/373415206.db2.gz SDTIKJZHIBJWIN-LLVKDONJSA-N 0 0 227.348 2.498 50 0 BEAARN O=C(NCC1CC(F)(F)C1)c1ccoc1 ZINC000298325711 182136149 /nfs/dbraw/zinc/13/61/49/182136149.db2.gz RDXJUKOADMTIIH-UHFFFAOYSA-N 0 0 215.199 2.055 50 0 BEAARN O=C(NCC1CC1)c1cc2ccccc2[nH]1 ZINC000027465507 182140195 /nfs/dbraw/zinc/14/01/95/182140195.db2.gz HVPPFHLGPGKQQS-UHFFFAOYSA-N 0 0 214.268 2.308 50 0 BEAARN CC(C)(C)C(=O)Nc1nnc(C2CC2)s1 ZINC000009219172 373580954 /nfs/dbraw/zinc/58/09/54/373580954.db2.gz DZJGVILEQAMMKJ-UHFFFAOYSA-N 0 0 225.317 2.400 50 0 BEAARN O=C(CNc1cccc2c1CCCC2)NC1CC1 ZINC000009221371 373588462 /nfs/dbraw/zinc/58/84/62/373588462.db2.gz TWKUHOFSOAUWPD-UHFFFAOYSA-N 0 0 244.338 2.256 50 0 BEAARN O=C(NCC1CCOCC1)Nc1ccccc1 ZINC000074904834 182147931 /nfs/dbraw/zinc/14/79/31/182147931.db2.gz JPWOXIMHTCKFIM-UHFFFAOYSA-N 0 0 234.299 2.235 50 0 BEAARN O=C(NCCC1=CCCCC1)NC1CC1 ZINC000036178844 182152171 /nfs/dbraw/zinc/15/21/71/182152171.db2.gz UNBPXTPXWRAYCH-UHFFFAOYSA-N 0 0 208.305 2.339 50 0 BEAARN O=C(NCCC1=CCCCC1)c1cnsn1 ZINC000000151306 182152726 /nfs/dbraw/zinc/15/27/26/182152726.db2.gz HYWWZUPKPWHIMD-UHFFFAOYSA-N 0 0 237.328 2.158 50 0 BEAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCO1 ZINC000000474639 182152737 /nfs/dbraw/zinc/15/27/37/182152737.db2.gz YYQYPYRDMLPRAU-LBPRGKRZSA-N 0 0 223.316 2.172 50 0 BEAARN CCN(CC)C(=O)c1noc2c1C[C@H](C)CC2 ZINC000009227141 373605230 /nfs/dbraw/zinc/60/52/30/373605230.db2.gz HWYXQUQWPGQXGR-SECBINFHSA-N 0 0 236.315 2.281 50 0 BEAARN O=C(CNc1cccc(Cl)c1)NC1CC1 ZINC000009254888 373700098 /nfs/dbraw/zinc/70/00/98/373700098.db2.gz KJRSDWUOCXFTTM-UHFFFAOYSA-N 0 0 224.691 2.031 50 0 BEAARN O=C(NCCCc1ccccc1)c1cc[nH]c1 ZINC000068228496 182175489 /nfs/dbraw/zinc/17/54/89/182175489.db2.gz CCRNJLDTFQMXNS-UHFFFAOYSA-N 0 0 228.295 2.377 50 0 BEAARN O=C(NCCCc1cnoc1)c1ccsc1 ZINC000244909676 182176087 /nfs/dbraw/zinc/17/60/87/182176087.db2.gz AQVSLMZKPPKKGE-UHFFFAOYSA-N 0 0 236.296 2.099 50 0 BEAARN O=C(NCCCc1ccccc1)C1CC1 ZINC000002761278 182176115 /nfs/dbraw/zinc/17/61/15/182176115.db2.gz QMXJWCYAYZWVIW-UHFFFAOYSA-N 0 0 203.285 2.145 50 0 BEAARN O=C(NCCCn1cccc1)c1cccs1 ZINC000049028533 182178167 /nfs/dbraw/zinc/17/81/67/182178167.db2.gz VPRFUKZZMBGDTG-UHFFFAOYSA-N 0 0 234.324 2.370 50 0 BEAARN O=C(NCCO)c1ccc(-c2ccccc2)cc1 ZINC000002057629 182193320 /nfs/dbraw/zinc/19/33/20/182193320.db2.gz ZIQQPDARBLMXQG-UHFFFAOYSA-N 0 0 241.290 2.076 50 0 BEAARN O=C(NCC[C@@H](O)c1ccccc1)c1ccco1 ZINC000072242663 182199480 /nfs/dbraw/zinc/19/94/80/182199480.db2.gz LHNWQIHHWYFMRC-GFCCVEGCSA-N 0 0 245.278 2.133 50 0 BEAARN O=C(NCCc1ccc(F)cc1)c1ccccn1 ZINC000008264974 182201247 /nfs/dbraw/zinc/20/12/47/182201247.db2.gz WNEPCDKZLBCJBF-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1c[nH]cn1)c1ccccc1Cl ZINC000006448523 182202140 /nfs/dbraw/zinc/20/21/40/182202140.db2.gz ZOQMHTDDVZEKOU-UHFFFAOYSA-N 0 0 249.701 2.036 50 0 BEAARN O=C(NCCc1ccccc1Cl)C1CC1 ZINC000067084457 182204067 /nfs/dbraw/zinc/20/40/67/182204067.db2.gz DYNYQQNTTXUVOH-UHFFFAOYSA-N 0 0 223.703 2.409 50 0 BEAARN O=C(NCCc1ccccc1)c1ccccc1O ZINC000000039366 182204299 /nfs/dbraw/zinc/20/42/99/182204299.db2.gz QNXXBEKNVVQTRX-UHFFFAOYSA-N 0 0 241.290 2.365 50 0 BEAARN O=C(NCCc1cccs1)c1cccnc1 ZINC000013010505 182209370 /nfs/dbraw/zinc/20/93/70/182209370.db2.gz VMWNPRLDFTXJRJ-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN Fc1cccc(C2=NNC(=NC3CC3)SC2)c1 ZINC000009376038 374110481 /nfs/dbraw/zinc/11/04/81/374110481.db2.gz XXLQVWWLKIYDSJ-UHFFFAOYSA-N 0 0 249.314 2.385 50 0 BEAARN CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000041174392 374119219 /nfs/dbraw/zinc/11/92/19/374119219.db2.gz XKDIIOVLCBFMFF-ZDUSSCGKSA-N 0 0 233.311 2.385 50 0 BEAARN CC(C)C(=O)NCc1c[nH]c2ccccc12 ZINC000041340927 374133053 /nfs/dbraw/zinc/13/30/53/374133053.db2.gz ABMCRDHOHNQWLA-UHFFFAOYSA-N 0 0 216.284 2.440 50 0 BEAARN O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)C1CC1 ZINC000087410949 182229712 /nfs/dbraw/zinc/22/97/12/182229712.db2.gz DOGOLEPVQLOIPQ-BBRMVZONSA-N 0 0 241.334 2.417 50 0 BEAARN O=C(NC[C@H]1CCCO1)Nc1ccc(F)cc1 ZINC000013022320 182239229 /nfs/dbraw/zinc/23/92/29/182239229.db2.gz BQLWSXADBCNVCO-LLVKDONJSA-N 0 0 238.262 2.126 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000000075765 182238953 /nfs/dbraw/zinc/23/89/53/182238953.db2.gz ZMMAVVGZVPYQOX-LLVKDONJSA-N 0 0 239.702 2.249 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1ccco1 ZINC000000326580 182250578 /nfs/dbraw/zinc/25/05/78/182250578.db2.gz ZLKZNTFGMRCWKC-UHFFFAOYSA-N 0 0 219.215 2.349 50 0 BEAARN O=C(NCc1ccco1)c1cccc2c[nH]nc21 ZINC000039553378 182262990 /nfs/dbraw/zinc/26/29/90/182262990.db2.gz PKDOMPZKBSTTNQ-UHFFFAOYSA-N 0 0 241.250 2.086 50 0 BEAARN O=C(NCc1ccccc1)OCC(F)(F)F ZINC000008269674 182256000 /nfs/dbraw/zinc/25/60/00/182256000.db2.gz KKYIEPKFJPKUCK-UHFFFAOYSA-N 0 0 233.189 2.475 50 0 BEAARN O=C(NCc1ccccc1)c1cc(C2CC2)n[nH]1 ZINC000006942409 182257027 /nfs/dbraw/zinc/25/70/27/182257027.db2.gz VJKQFFAGUIHBEV-UHFFFAOYSA-N 0 0 241.294 2.217 50 0 BEAARN CC(C)=CC(=O)NCc1ccccc1F ZINC000042523584 374274851 /nfs/dbraw/zinc/27/48/51/374274851.db2.gz FEZOUEILJWGBFD-UHFFFAOYSA-N 0 0 207.248 2.408 50 0 BEAARN CO[C@@H]1C(C)=C(C)C(=O)N1CCc1ccccc1 ZINC000009731019 374234129 /nfs/dbraw/zinc/23/41/29/374234129.db2.gz JIAAFQJZASGXKZ-OAHLLOKOSA-N 0 0 245.322 2.380 50 0 BEAARN O=C(NCc1ccccn1)[C@H]1CC=CCC1 ZINC000028200115 182259856 /nfs/dbraw/zinc/25/98/56/182259856.db2.gz RIZWMSXVGXVLLM-NSHDSACASA-N 0 0 216.284 2.054 50 0 BEAARN O=C(NCc1ccncc1)c1cc(F)cc(F)c1 ZINC000006847737 182265402 /nfs/dbraw/zinc/26/54/02/182265402.db2.gz JSIYZARKYZNBIM-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccco1)c1[nH]nc2ccccc21 ZINC000007990286 182262571 /nfs/dbraw/zinc/26/25/71/182262571.db2.gz MGITVMOEUWYLEM-UHFFFAOYSA-N 0 0 241.250 2.086 50 0 BEAARN O=C(NCc1ccco1)c1ccccc1F ZINC000000281143 182262605 /nfs/dbraw/zinc/26/26/05/182262605.db2.gz CTVXQCNVWROXPQ-UHFFFAOYSA-N 0 0 219.215 2.349 50 0 BEAARN O=C(NCc1ccncc1)c1ccc(F)c(F)c1 ZINC000016648998 182265507 /nfs/dbraw/zinc/26/55/07/182265507.db2.gz GWOGZXDUOHSPTN-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN CC[C@@H](C)NC(=O)NCc1ccccc1 ZINC000010277335 374285952 /nfs/dbraw/zinc/28/59/52/374285952.db2.gz BXLJGDWVRRHQKX-SNVBAGLBSA-N 0 0 206.289 2.284 50 0 BEAARN O=C(NCc1nccs1)C1CCCCC1 ZINC000041533646 182273758 /nfs/dbraw/zinc/27/37/58/182273758.db2.gz KIOCZHMNKLIONJ-UHFFFAOYSA-N 0 0 224.329 2.340 50 0 BEAARN C[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)C1CC1 ZINC000071798773 374292987 /nfs/dbraw/zinc/29/29/87/374292987.db2.gz PWPOYPFSTAPMAS-BDAKNGLRSA-N 0 0 210.321 2.225 50 0 BEAARN O=C(NCc1ccncc1)c1ccsc1 ZINC000032731187 182266255 /nfs/dbraw/zinc/26/62/55/182266255.db2.gz HCDRSYZPUPOSDP-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1ccsc1)[C@H]1CC1(F)F ZINC000294665117 182268713 /nfs/dbraw/zinc/26/87/13/182268713.db2.gz ZNRREZLYNXGUIW-SSDOTTSWSA-N 0 0 217.240 2.020 50 0 BEAARN O=C(NCc1nc2ccccc2s1)C1CC1 ZINC000032986091 182272438 /nfs/dbraw/zinc/27/24/38/182272438.db2.gz JLDKVOXNYFYMAT-UHFFFAOYSA-N 0 0 232.308 2.323 50 0 BEAARN O=C(N[C@@H]1CC=CCC1)c1c(O)cccc1F ZINC000185471098 182291705 /nfs/dbraw/zinc/29/17/05/182291705.db2.gz JIHLKFWVLCEAOU-SECBINFHSA-N 0 0 235.258 2.370 50 0 BEAARN O=C(N[C@@H]1CCCOc2ccccc21)C1CC1 ZINC000058379974 182295748 /nfs/dbraw/zinc/29/57/48/182295748.db2.gz NMEATMYUGSWZNE-GFCCVEGCSA-N 0 0 231.295 2.427 50 0 BEAARN O=C(N[C@H]1CCCc2occc21)C1CC1 ZINC000070250674 182334631 /nfs/dbraw/zinc/33/46/31/182334631.db2.gz WLVVDNYQVVUUSL-JTQLQIEISA-N 0 0 205.257 2.183 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000005768782 182352362 /nfs/dbraw/zinc/35/23/62/182352362.db2.gz QUVWWDSLHJTWPZ-JTQLQIEISA-N 0 0 225.675 2.458 50 0 BEAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)C1CCC1 ZINC000072256124 182346252 /nfs/dbraw/zinc/34/62/52/182346252.db2.gz NYUXBFPOSQEIGB-UHFFFAOYSA-N 0 0 242.282 2.210 50 0 BEAARN O=C(Nc1cc(Cl)ccc1O)[C@H]1CCCO1 ZINC000002881382 182347943 /nfs/dbraw/zinc/34/79/43/182347943.db2.gz XPCIKRGSXBDNFC-SNVBAGLBSA-N 0 0 241.674 2.163 50 0 BEAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CC1 ZINC000000142532 182359438 /nfs/dbraw/zinc/35/94/38/182359438.db2.gz FWZOGKHUWUVWRJ-UHFFFAOYSA-N 0 0 244.294 2.384 50 0 BEAARN O=C(Nc1ccc(O)cn1)c1ccccc1 ZINC000026895960 182361395 /nfs/dbraw/zinc/36/13/95/182361395.db2.gz HRDNNQNXXUJEJF-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccco1 ZINC000000147022 182363343 /nfs/dbraw/zinc/36/33/43/182363343.db2.gz WVNHEHPXYNUDGI-UHFFFAOYSA-N 0 0 245.234 2.303 50 0 BEAARN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000001054460 182364002 /nfs/dbraw/zinc/36/40/02/182364002.db2.gz OANXXTMLJZRREF-CYBMUJFWSA-N 0 0 231.295 2.293 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1cccnn1 ZINC000004722181 182367824 /nfs/dbraw/zinc/36/78/24/182367824.db2.gz OVZJOGDDIIQZEC-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cccc(=O)[nH]1)Nc1ccccc1F ZINC000005728965 182366467 /nfs/dbraw/zinc/36/64/67/182366467.db2.gz BECZDAWXCBDMLS-UHFFFAOYSA-N 0 0 247.229 2.158 50 0 BEAARN O=C(Nc1ccccc1F)c1ccncc1 ZINC000000119509 182379175 /nfs/dbraw/zinc/37/91/75/182379175.db2.gz UHKAYFAGFAAAHF-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccccc1)N[C@H]1CCSC1 ZINC000000141569 182375729 /nfs/dbraw/zinc/37/57/29/182375729.db2.gz JFHMWNBDBFNXRA-JTQLQIEISA-N 0 0 222.313 2.314 50 0 BEAARN O=C(Nc1ccccc1)c1cscn1 ZINC000041506688 182377822 /nfs/dbraw/zinc/37/78/22/182377822.db2.gz SYNYICWDYJEXNY-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 BEAARN O=C(Nc1ccon1)c1ccccc1F ZINC000001054770 182389061 /nfs/dbraw/zinc/38/90/61/182389061.db2.gz ZNEFSRUVQGDAAX-UHFFFAOYSA-N 0 0 206.176 2.066 50 0 BEAARN O=C(Nc1ccnn1Cc1cccs1)C1CC1 ZINC000032987943 182389163 /nfs/dbraw/zinc/38/91/63/182389163.db2.gz BBNNUOCDQIRPPE-UHFFFAOYSA-N 0 0 247.323 2.341 50 0 BEAARN O=C(Nc1cn[nH]c1)C1(c2ccc(F)cc2)CC1 ZINC000035237982 182391617 /nfs/dbraw/zinc/39/16/17/182391617.db2.gz RDMTXLYQKUKHEI-UHFFFAOYSA-N 0 0 245.257 2.219 50 0 BEAARN O=C(Nc1ccccn1)C(Cl)(Cl)Cl ZINC000013227932 182379850 /nfs/dbraw/zinc/37/98/50/182379850.db2.gz ZNMGIGITRCYFRN-UHFFFAOYSA-N 0 0 239.489 2.390 50 0 BEAARN O=C(Nc1cccn2cnnc12)c1ccsc1 ZINC000065228077 182382715 /nfs/dbraw/zinc/38/27/15/182382715.db2.gz QHONOJDQJWIVMJ-UHFFFAOYSA-N 0 0 244.279 2.043 50 0 BEAARN O=C(Nc1ccccn1)c1ccc2c(c1)OCO2 ZINC000000434456 182383205 /nfs/dbraw/zinc/38/32/05/182383205.db2.gz JRHINHCTXFHQIT-UHFFFAOYSA-N 0 0 242.234 2.063 50 0 BEAARN O=C(Nc1cccnc1)c1cc(C2CC2)on1 ZINC000002497971 182383597 /nfs/dbraw/zinc/38/35/97/182383597.db2.gz ATVLJJSVTJCOAL-UHFFFAOYSA-N 0 0 229.239 2.199 50 0 BEAARN O=C(Nc1ccn(-c2ccccc2)n1)C1CC1 ZINC000036392517 182385056 /nfs/dbraw/zinc/38/50/56/182385056.db2.gz WOYFXZQJMRHWJJ-UHFFFAOYSA-N 0 0 227.267 2.221 50 0 BEAARN O=C(Nc1cccnc1)c1noc2c1CCCC2 ZINC000000426356 182385080 /nfs/dbraw/zinc/38/50/80/182385080.db2.gz GZKKTOQLZKKUAZ-UHFFFAOYSA-N 0 0 243.266 2.201 50 0 BEAARN O=C(Nc1ccncc1)Nc1ccccn1 ZINC000000281494 182386302 /nfs/dbraw/zinc/38/63/02/182386302.db2.gz JKLDPZUPFREDIE-UHFFFAOYSA-N 0 0 214.228 2.121 50 0 BEAARN O=C(Nc1ccncc1)N1CCC=C(F)C1 ZINC000273247360 182386487 /nfs/dbraw/zinc/38/64/87/182386487.db2.gz VPFBITIGLKBNJI-UHFFFAOYSA-N 0 0 221.235 2.173 50 0 BEAARN O=C(Nc1ccncc1)c1cccc2c[nH]nc21 ZINC000030600836 182387393 /nfs/dbraw/zinc/38/73/93/182387393.db2.gz OLBQUNAJPHETMP-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1nc2c(s1)CCCC2)C1CC1 ZINC000003249126 182397831 /nfs/dbraw/zinc/39/78/31/182397831.db2.gz CLFNMMOLJGJDIL-UHFFFAOYSA-N 0 0 222.313 2.370 50 0 BEAARN O=C(Nc1ncc(Br)s1)C1CC1 ZINC000037387403 182399319 /nfs/dbraw/zinc/39/93/19/182399319.db2.gz MXJKAJTZKDDREU-UHFFFAOYSA-N 0 0 247.117 2.254 50 0 BEAARN O=C(Nc1ncccc1Cl)c1ccncc1 ZINC000000483776 182399660 /nfs/dbraw/zinc/39/96/60/182399660.db2.gz NUCAWOQOZPUOKE-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cncc(F)c1)[C@@H]1CCCS1 ZINC000281380979 182393521 /nfs/dbraw/zinc/39/35/21/182393521.db2.gz NSVUEDIIZSUJDZ-VIFPVBQESA-N 0 0 226.276 2.055 50 0 BEAARN CCCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000003326486 168871581 /nfs/dbraw/zinc/87/15/81/168871581.db2.gz PZDKTCRAXMQZTK-PKNBQFBNSA-N 0 0 239.340 2.377 50 0 BEAARN O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000084011582 182537128 /nfs/dbraw/zinc/53/71/28/182537128.db2.gz FJMJOYQGUPTRDF-RYUDHWBXSA-N 0 0 219.284 2.030 50 0 BEAARN O=C([O-])c1ccccc1OCCC[NH+]1CCCC1 ZINC000008731484 182582713 /nfs/dbraw/zinc/58/27/13/182582713.db2.gz TVXLDLNBGHLXHL-UHFFFAOYSA-N 0 0 249.310 2.250 50 0 BEAARN O=C(O[C@@H]1CCOC1)c1ccccc1Cl ZINC000071883866 182608024 /nfs/dbraw/zinc/60/80/24/182608024.db2.gz DVBQURLAOSRSND-MRVPVSSYSA-N 0 0 226.659 2.286 50 0 BEAARN O=C(COC(=O)c1cccc(O)c1)c1ccco1 ZINC000014169475 182601247 /nfs/dbraw/zinc/60/12/47/182601247.db2.gz PIKHCFAWEHAHBS-UHFFFAOYSA-N 0 0 246.218 2.025 50 0 BEAARN CCCCOC(=O)[C@H](O)CCc1ccccc1 ZINC000044123299 168885921 /nfs/dbraw/zinc/88/59/21/168885921.db2.gz WQTAINYORFLZGT-CYBMUJFWSA-N 0 0 236.311 2.323 50 0 BEAARN O=C(c1nccs1)c1ccc(Cl)nc1 ZINC000043210269 182658956 /nfs/dbraw/zinc/65/89/56/182658956.db2.gz XGEAHBAEECOIQL-UHFFFAOYSA-N 0 0 224.672 2.423 50 0 BEAARN O=C(c1ccc(Cl)cc1)n1cccn1 ZINC000002737332 182658091 /nfs/dbraw/zinc/65/80/91/182658091.db2.gz GTJZPRTULNTAOS-UHFFFAOYSA-N 0 0 206.632 2.225 50 0 BEAARN O=C(c1ccccn1)c1cccnc1Cl ZINC000002392667 182681793 /nfs/dbraw/zinc/68/17/93/182681793.db2.gz ORBUBUDJPCHIAY-UHFFFAOYSA-N 0 0 218.643 2.361 50 0 BEAARN O=C(c1ccccn1)N1CCc2ccccc2C1 ZINC000003335861 182682089 /nfs/dbraw/zinc/68/20/89/182682089.db2.gz YISJFUFBWLOETB-UHFFFAOYSA-N 0 0 238.290 2.280 50 0 BEAARN O=C(c1occc1Br)N1CCCC1 ZINC000081552067 182709999 /nfs/dbraw/zinc/70/99/99/182709999.db2.gz UQGFWTNELGJBCK-UHFFFAOYSA-N 0 0 244.088 2.278 50 0 BEAARN O=C1COCc2ccc(Br)cc21 ZINC000049588550 182768189 /nfs/dbraw/zinc/76/81/89/182768189.db2.gz KOROTCDTJPLXMA-UHFFFAOYSA-N 0 0 227.057 2.162 50 0 BEAARN O=C1CS/C(=C\c2nc3ccccc3s2)N1 ZINC000096298885 182770501 /nfs/dbraw/zinc/77/05/01/182770501.db2.gz XJWRTKVKIVPNKO-YHYXMXQVSA-N 0 0 248.332 2.458 50 0 BEAARN O=C1CSc2nc3ccc(Cl)cc3n21 ZINC000000337013 182771973 /nfs/dbraw/zinc/77/19/73/182771973.db2.gz IENCYLVWKNQOPB-UHFFFAOYSA-N 0 0 224.672 2.436 50 0 BEAARN O=C1N(Cc2ccccc2)CCC12CC2 ZINC000091692867 182789306 /nfs/dbraw/zinc/78/93/06/182789306.db2.gz ITHTZJNFRNHLRK-UHFFFAOYSA-N 0 0 201.269 2.199 50 0 BEAARN O=C1N=C2C=CC=CN2/C1=C\c1ccccc1 ZINC000033742424 182790878 /nfs/dbraw/zinc/79/08/78/182790878.db2.gz XCINZXBTHCXLPW-BENRWUELSA-N 0 0 222.247 2.352 50 0 BEAARN O=C1C[C@@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000008771427 182777159 /nfs/dbraw/zinc/77/71/59/182777159.db2.gz XJEUJTQSRRCSCQ-VIFPVBQESA-N 0 0 230.242 2.462 50 0 BEAARN O=C1c2ccccc2C(=O)N1c1ccc(O)cc1 ZINC000000078998 182845147 /nfs/dbraw/zinc/84/51/47/182845147.db2.gz PHHOJUGXERSDJH-UHFFFAOYSA-N 0 0 239.230 2.193 50 0 BEAARN CCOC(=O)c1cc(Cl)c2nccn2c1 ZINC000097463434 170292241 /nfs/dbraw/zinc/29/22/41/170292241.db2.gz OTIWIYFRQYZQNI-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN O=Cc1c(Cl)ncn1-c1ccccc1 ZINC000036390468 182859006 /nfs/dbraw/zinc/85/90/06/182859006.db2.gz DBRVGFJNURHKIT-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN O=Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC000012359150 182860484 /nfs/dbraw/zinc/86/04/84/182860484.db2.gz WYPNQEHRMYDLFU-UHFFFAOYSA-N 0 0 208.167 2.167 50 0 BEAARN O=Cc1cccn1-c1nccc(-c2ccco2)n1 ZINC000001394836 182873445 /nfs/dbraw/zinc/87/34/45/182873445.db2.gz IOSXYJXHRLBSBR-UHFFFAOYSA-N 0 0 239.234 2.340 50 0 BEAARN O=Cc1ccsc1I ZINC000000334396 182873455 /nfs/dbraw/zinc/87/34/55/182873455.db2.gz XQBBCHBIMBAUEN-UHFFFAOYSA-N 0 0 238.049 2.165 50 0 BEAARN O=Cc1nc(-c2ccco2)n2ccccc12 ZINC000001237972 182875537 /nfs/dbraw/zinc/87/55/37/182875537.db2.gz GFKHSYRTJSAEOU-UHFFFAOYSA-N 0 0 212.208 2.407 50 0 BEAARN CCCCS(=O)(=O)Cc1ccccc1 ZINC000001640861 168922379 /nfs/dbraw/zinc/92/23/79/168922379.db2.gz QUTRKCZEVXALJJ-UHFFFAOYSA-N 0 0 212.314 2.402 50 0 BEAARN O=c1[nH]c(Nc2ccccc2)nc2c1CCC2 ZINC000009939341 182972598 /nfs/dbraw/zinc/97/25/98/182972598.db2.gz CWOOKEDZQQPYNU-UHFFFAOYSA-N 0 0 227.267 2.002 50 0 BEAARN O=c1c2ccccc2ncn1-c1ccccc1 ZINC000000281739 182989492 /nfs/dbraw/zinc/98/94/92/182989492.db2.gz WAIHFZPSLVDBRV-UHFFFAOYSA-N 0 0 222.247 2.386 50 0 in-vitro BEAARN O=c1ccc(-c2ccc(Cl)cc2)n[nH]1 ZINC000000058238 182998214 /nfs/dbraw/zinc/99/82/14/182998214.db2.gz HALBJPGFCUGLFM-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN O=c1ccc(F)cn1Cc1cnc(Cl)s1 ZINC000190749766 183000129 /nfs/dbraw/zinc/00/01/29/183000129.db2.gz MWHXHWRYRZZDSQ-UHFFFAOYSA-N 0 0 244.678 2.146 50 0 BEAARN O=c1sc2ccccc2n1CC(F)F ZINC000121030469 183013381 /nfs/dbraw/zinc/01/33/81/183013381.db2.gz ODZOTLKISLKZMU-UHFFFAOYSA-N 0 0 215.224 2.328 50 0 BEAARN O=c1ccnc(SCCc2ccccc2)[nH]1 ZINC000000934688 183005762 /nfs/dbraw/zinc/00/57/62/183005762.db2.gz KOMKFAIPIDLZQJ-UHFFFAOYSA-N 0 0 232.308 2.105 50 0 BEAARN O=c1nc(SC2CCCC2)nc2ccccn21 ZINC000004499712 183010533 /nfs/dbraw/zinc/01/05/33/183010533.db2.gz WBOOKHNHGGGDHS-UHFFFAOYSA-N 0 0 247.323 2.124 50 0 BEAARN O=c1oc(-c2ccccc2)nn1-c1ccccc1 ZINC000039223493 183011467 /nfs/dbraw/zinc/01/14/67/183011467.db2.gz NCYKWHUYTOFYSY-UHFFFAOYSA-N 0 0 238.246 2.493 50 0 BEAARN OCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000047958850 183040808 /nfs/dbraw/zinc/04/08/08/183040808.db2.gz KRSDANWQSBFWDS-QPJJXVBHSA-N 0 0 231.339 2.404 50 0 BEAARN OCC1CC[NH+](CCCc2ccsc2)CC1 ZINC000019607830 183040845 /nfs/dbraw/zinc/04/08/45/183040845.db2.gz POETUBMIBREUGT-UHFFFAOYSA-N 0 0 239.384 2.385 50 0 BEAARN OCCCCCCOc1ccc(O)cc1 ZINC000002179665 183044444 /nfs/dbraw/zinc/04/44/44/183044444.db2.gz UVYBETTVKBAZFI-UHFFFAOYSA-N 0 0 210.273 2.324 50 0 BEAARN OCC(CO)C(c1ccccc1)c1ccccc1 ZINC000001470782 183033846 /nfs/dbraw/zinc/03/38/46/183033846.db2.gz CIWAVHMYSGYDFC-UHFFFAOYSA-N 0 0 242.318 2.419 50 0 BEAARN OCCNc1cc(C(F)(F)F)cc(Cl)n1 ZINC000043224362 183080618 /nfs/dbraw/zinc/08/06/18/183080618.db2.gz AFDCSMWCEAIQGK-UHFFFAOYSA-N 0 0 240.612 2.158 50 0 BEAARN OC[C@@H]1CCCN1c1nc2ccccc2s1 ZINC000039042040 183119584 /nfs/dbraw/zinc/11/95/84/183119584.db2.gz HGVGZMWESQDWDF-VIFPVBQESA-N 0 0 234.324 2.257 50 0 BEAARN OC[C@@H]1CCCN1Cc1c(F)cccc1Cl ZINC000000277268 183120145 /nfs/dbraw/zinc/12/01/45/183120145.db2.gz DDXLVLHAEBPOKY-VIFPVBQESA-N 0 0 243.709 2.436 50 0 BEAARN CCCCc1c(O)nc2cc(C)ccn2c1=O ZINC000100130268 169017679 /nfs/dbraw/zinc/01/76/79/169017679.db2.gz YIAKCHDLLBNISS-UHFFFAOYSA-N 0 0 232.283 2.051 50 0 BEAARN CCCCc1nc(Cn2nc(C)cc2C)no1 ZINC000077239805 169025380 /nfs/dbraw/zinc/02/53/80/169025380.db2.gz KPBZEUUFLJWUAO-UHFFFAOYSA-N 0 0 234.303 2.274 50 0 BEAARN CCCCn1c(=O)onc1-c1cccs1 ZINC000058485294 169031971 /nfs/dbraw/zinc/03/19/71/169031971.db2.gz ULMKMOYRFJESRQ-UHFFFAOYSA-N 0 0 224.285 2.365 50 0 BEAARN OC[C@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000044272030 183152707 /nfs/dbraw/zinc/15/27/07/183152707.db2.gz KCXQKBGDCIUTTD-MRVPVSSYSA-N 0 0 246.232 2.062 50 0 BEAARN CCCCn1ncnc1-c1cnc(SC)nc1 ZINC000092020583 169039944 /nfs/dbraw/zinc/03/99/44/169039944.db2.gz KIOJYAGHOPIRNX-UHFFFAOYSA-N 0 0 249.343 2.257 50 0 BEAARN CCCCn1nnc2cc(C(=O)OCC)ccc21 ZINC000242463478 169040830 /nfs/dbraw/zinc/04/08/30/169040830.db2.gz DCRGICBWNWHDJX-UHFFFAOYSA-N 0 0 247.298 2.408 50 0 BEAARN OCc1c[nH]c2ccc(Br)cc12 ZINC000005677921 183160087 /nfs/dbraw/zinc/16/00/87/183160087.db2.gz UBNBFZVNTVNJQV-UHFFFAOYSA-N 0 0 226.073 2.423 50 0 BEAARN OCc1c[nH]c(-c2ccccc2Cl)n1 ZINC000058824272 183160489 /nfs/dbraw/zinc/16/04/89/183160489.db2.gz LYSIVQNGOSUIMQ-UHFFFAOYSA-N 0 0 208.648 2.222 50 0 BEAARN OCc1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000036158566 183160681 /nfs/dbraw/zinc/16/06/81/183160681.db2.gz RKRVZXGXEMWOAV-UHFFFAOYSA-N 0 0 208.648 2.222 50 0 BEAARN OCc1cc(C(F)(F)F)cnc1Cl ZINC000085223669 183160686 /nfs/dbraw/zinc/16/06/86/183160686.db2.gz ITWQFBNIOHFHFF-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000095761679 183161478 /nfs/dbraw/zinc/16/14/78/183161478.db2.gz ZFHFVKOYKPAGNL-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1cc(F)ccc1OC(F)(F)F ZINC000071867288 183161963 /nfs/dbraw/zinc/16/19/63/183161963.db2.gz JKXVLACUMFQMNS-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN OCc1ccccc1Oc1cccnc1 ZINC000036904281 183168634 /nfs/dbraw/zinc/16/86/34/183168634.db2.gz FLSSCQCRCIJTOR-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000052221346 183168937 /nfs/dbraw/zinc/16/89/37/183168937.db2.gz XECGMHCWQZHPNZ-UHFFFAOYSA-N 0 0 244.081 2.066 50 0 BEAARN OCc1cn2c3ccccc3sc2n1 ZINC000000154218 183169649 /nfs/dbraw/zinc/16/96/49/183169649.db2.gz CKPKCVPIDQOXIW-UHFFFAOYSA-N 0 0 204.254 2.041 50 0 BEAARN OCc1ncc(Cl)cc1C(F)(F)F ZINC000095930412 183170513 /nfs/dbraw/zinc/17/05/13/183170513.db2.gz UYKBDYAIPBFIRV-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000003883431 183170771 /nfs/dbraw/zinc/17/07/71/183170771.db2.gz BXASARCCEDPFHU-UHFFFAOYSA-N 0 0 244.172 2.248 50 0 BEAARN OCc1nccc(C(F)(F)F)c1Cl ZINC000052507814 183171487 /nfs/dbraw/zinc/17/14/87/183171487.db2.gz UZGLGJAXMRKALC-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN O[C@@H]1CCC[C@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000195575441 183196556 /nfs/dbraw/zinc/19/65/56/183196556.db2.gz MSPGIRCKQCTJCV-RKDXNWHRSA-N 0 0 246.232 2.426 50 0 BEAARN O[C@@H]1CCc2cc(Br)ccc21 ZINC000021299020 183206900 /nfs/dbraw/zinc/20/69/00/183206900.db2.gz DRXIUUZVRAOHBS-SECBINFHSA-N 0 0 213.074 2.429 50 0 BEAARN O[C@@H](c1ccccn1)C(F)(F)C(F)(F)F ZINC000004244911 183186128 /nfs/dbraw/zinc/18/61/28/183186128.db2.gz HVCIJUHXCQINBC-LURJTMIESA-N 0 0 227.132 2.313 50 0 BEAARN O[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000000388744 183229577 /nfs/dbraw/zinc/22/95/77/183229577.db2.gz IHPDTPWNFBQHEB-ZIAGYGMSSA-N 0 0 214.264 2.454 50 0 endogenous,in-man BEAARN O[C@@H]1CNc2c1cc(Br)cc2F ZINC000169725905 183208605 /nfs/dbraw/zinc/20/86/05/183208605.db2.gz JRXUAEPZZOQRAE-SSDOTTSWSA-N 0 0 232.052 2.047 50 0 BEAARN O[C@@H]1Cc2ccccc2[C@@H]1Sc1ncccn1 ZINC000005776557 183213438 /nfs/dbraw/zinc/21/34/38/183213438.db2.gz RXDRIZZIYOZLNK-NEPJUHHUSA-N 0 0 244.319 2.227 50 0 BEAARN O[C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NO1 ZINC000000187724 183215255 /nfs/dbraw/zinc/21/52/55/183215255.db2.gz FIIZCXABWYGMAX-VIFPVBQESA-N 0 0 249.163 2.201 50 0 BEAARN O[C@H]1CCOc2cc(Br)ccc21 ZINC000087015841 183241397 /nfs/dbraw/zinc/24/13/97/183241397.db2.gz CORGRUDPFWKFGE-QMMMGPOBSA-N 0 0 229.073 2.265 50 0 BEAARN O[C@H]1CNc2c1c(Br)ccc2F ZINC000169725901 183245021 /nfs/dbraw/zinc/24/50/21/183245021.db2.gz IYZRFJBYSURMRH-LURJTMIESA-N 0 0 232.052 2.047 50 0 BEAARN O[C@H]1C[C@@H](C(F)(F)F)Oc2ccccc21 ZINC000006658014 183246700 /nfs/dbraw/zinc/24/67/00/183246700.db2.gz ZEOOCEWBCFKVAA-CBAPKCEASA-N 0 0 218.174 2.433 50 0 BEAARN O[C@]1(C(F)F)CC(/C=C/c2cccs2)=NO1 ZINC000000509809 183250335 /nfs/dbraw/zinc/25/03/35/183250335.db2.gz RFYVQJGHGHWEEJ-HMDXOVGESA-N 0 0 245.250 2.491 50 0 BEAARN Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000020432778 183265817 /nfs/dbraw/zinc/26/58/17/183265817.db2.gz HNSHSGHQGRLQRJ-UHFFFAOYSA-N 0 0 202.213 2.320 50 0 BEAARN Oc1ccc(NC2=NCCCS2)cc1 ZINC000004619754 183275645 /nfs/dbraw/zinc/27/56/45/183275645.db2.gz XUSMEDXRDDDMJP-UHFFFAOYSA-N 0 0 208.286 2.297 50 0 BEAARN Oc1ccc(OCc2ccncc2)cc1 ZINC000034962362 183277427 /nfs/dbraw/zinc/27/74/27/183277427.db2.gz IQWXVGMUFOPNOC-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN Oc1cc(F)cc(OCC(F)(F)F)c1 ZINC000042750095 183259645 /nfs/dbraw/zinc/25/96/45/183259645.db2.gz JSJFHYLGFURTCY-UHFFFAOYSA-N 0 0 210.126 2.472 50 0 BEAARN O=c1[nH]nc2c3cc(Cl)ccc3[nH]cc1-2 ZINC000014988543 183306806 /nfs/dbraw/zinc/30/68/06/183306806.db2.gz SRTBUNLEZCZAFX-UHFFFAOYSA-N 0 0 219.631 2.470 50 0 BEAARN O=c1[nH][nH]c2cc(F)cc(Br)c12 ZINC000014983983 183307353 /nfs/dbraw/zinc/30/73/53/183307353.db2.gz NRBMBUFFRQRNTF-UHFFFAOYSA-N 0 0 231.024 2.170 50 0 BEAARN O=c1cc[nH]c(Br)c1Cl ZINC000079006617 183304998 /nfs/dbraw/zinc/30/49/98/183304998.db2.gz VIUMEVSMHOEWHT-UHFFFAOYSA-N 0 0 208.442 2.203 50 0 BEAARN O=c1ccn2nc(-c3ccccc3)cc2[nH]1 ZINC000005729097 183305147 /nfs/dbraw/zinc/30/51/47/183305147.db2.gz WUBLHSVMWNLLAT-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN S=C1N=NCN1c1cccc(Cl)c1 ZINC000003888197 183316437 /nfs/dbraw/zinc/31/64/37/183316437.db2.gz BUJPRPNYDPDHJB-UHFFFAOYSA-N 0 0 211.677 2.209 50 0 BEAARN [O-][n+]1ccc2c(c1)Oc1ccccc1O2 ZINC000060275841 183318885 /nfs/dbraw/zinc/31/88/85/183318885.db2.gz NFSYZDQBQPNTBP-UHFFFAOYSA-N 0 0 201.181 2.218 50 0 BEAARN c1cc(-c2noc(CN3CCCC3)n2)cs1 ZINC000058049878 183333476 /nfs/dbraw/zinc/33/34/76/183333476.db2.gz DAORQMHKOIINFL-UHFFFAOYSA-N 0 0 235.312 2.394 50 0 BEAARN c1cc(-c2noc(-c3ccncc3)n2)ccn1 ZINC000000426183 183331993 /nfs/dbraw/zinc/33/19/93/183331993.db2.gz HWEIVBYEBBNHAK-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN S=C(NCc1ccco1)Nc1cccnc1 ZINC000000066428 183311345 /nfs/dbraw/zinc/31/13/45/183311345.db2.gz GEFDVZCFTXYFLF-UHFFFAOYSA-N 0 0 233.296 2.161 50 0 BEAARN S=C(NCc1cccnc1)NC1CCCCC1 ZINC000004608364 183311770 /nfs/dbraw/zinc/31/17/70/183311770.db2.gz BNWFMBJOPOAAML-UHFFFAOYSA-N 0 0 249.383 2.378 50 0 BEAARN S=C(c1ccccc1)N1CCSCC1 ZINC000000101857 183312514 /nfs/dbraw/zinc/31/25/14/183312514.db2.gz JBQQWTHQZPHGRR-UHFFFAOYSA-N 0 0 223.366 2.411 50 0 BEAARN CCCNC(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000096400615 169212877 /nfs/dbraw/zinc/21/28/77/169212877.db2.gz OPHSCFBNYOORNI-XQRVVYSFSA-N 0 0 231.295 2.161 50 0 BEAARN CCCNC(=O)Cc1ccc(C)cc1C ZINC000072446657 169233522 /nfs/dbraw/zinc/23/35/22/169233522.db2.gz SXVXXNXQGKWDFT-UHFFFAOYSA-N 0 0 205.301 2.372 50 0 BEAARN CCCNC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000226848993 169253469 /nfs/dbraw/zinc/25/34/69/169253469.db2.gz QRAMXFRWNBLYGG-UHFFFAOYSA-N 0 0 247.273 2.151 50 0 BEAARN c1[nH]nnc1SCCc1ccc2c(c1)CCO2 ZINC000089806952 183367838 /nfs/dbraw/zinc/36/78/38/183367838.db2.gz MPKZZFLVPZKYDI-UHFFFAOYSA-N 0 0 247.323 2.074 50 0 BEAARN CCCNC(=O)Cn1cnc2cc(C)c(C)cc21 ZINC000014360955 169234383 /nfs/dbraw/zinc/23/43/83/169234383.db2.gz HTUCNDMNMXTXEB-UHFFFAOYSA-N 0 0 245.326 2.179 50 0 BEAARN CCCNC(=O)N1Cc2ccccc2C1 ZINC000106256099 169235247 /nfs/dbraw/zinc/23/52/47/169235247.db2.gz RADIQBDNCGKEGY-UHFFFAOYSA-N 0 0 204.273 2.122 50 0 BEAARN CCCNC(=O)NCc1ccccc1OCC ZINC000004717819 169237810 /nfs/dbraw/zinc/23/78/10/169237810.db2.gz SURYJWNGLRWXLJ-UHFFFAOYSA-N 0 0 236.315 2.295 50 0 BEAARN CCCNC(=O)N[C@H]1CCc2ccccc21 ZINC000012897029 169239249 /nfs/dbraw/zinc/23/92/49/169239249.db2.gz YBDQHCQSUONJNH-LBPRGKRZSA-N 0 0 218.300 2.383 50 0 BEAARN CCCNC(=O)Nc1cc(OC)ccc1OC ZINC000002172073 169239462 /nfs/dbraw/zinc/23/94/62/169239462.db2.gz GYPOIXVTFQVGKF-UHFFFAOYSA-N 0 0 238.287 2.235 50 0 BEAARN CCCNC(=O)Nc1ccccc1COC ZINC000040527940 169240076 /nfs/dbraw/zinc/24/00/76/169240076.db2.gz IJGVXNBOTJFZGL-UHFFFAOYSA-N 0 0 222.288 2.365 50 0 BEAARN CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000006593284 169242839 /nfs/dbraw/zinc/24/28/39/169242839.db2.gz OAPQOQQCRDDDKY-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN CCCNC(=O)[C@@H](C)Sc1nc(C)c(C)o1 ZINC000058760703 169243182 /nfs/dbraw/zinc/24/31/82/169243182.db2.gz HBHAUOODULNNAI-SECBINFHSA-N 0 0 242.344 2.298 50 0 BEAARN c1cn2nc(-c3ccccc3)nc2s1 ZINC000001617780 183383346 /nfs/dbraw/zinc/38/33/46/183383346.db2.gz XLZGHZABCSQUCD-UHFFFAOYSA-N 0 0 201.254 2.458 50 0 BEAARN c1ccc(-c2noc(-c3cccnc3)n2)nc1 ZINC000000303356 183384767 /nfs/dbraw/zinc/38/47/67/183384767.db2.gz FHRMCUAJQJVNBE-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN c1ccc(-c2noc(-c3ccncc3)n2)nc1 ZINC000000318958 183384988 /nfs/dbraw/zinc/38/49/88/183384988.db2.gz PGEZOHXBGGUGOZ-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN CCCNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000032611042 169249883 /nfs/dbraw/zinc/24/98/83/169249883.db2.gz KJNPUVCCSJPTRA-UHFFFAOYSA-N 0 0 235.312 2.278 50 0 BEAARN CCCNC(=O)c1ccc(-c2cncnc2)s1 ZINC000032558387 169251028 /nfs/dbraw/zinc/25/10/28/169251028.db2.gz KVPGJMLECRHTOJ-UHFFFAOYSA-N 0 0 247.323 2.345 50 0 BEAARN CCCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000059400309 169251387 /nfs/dbraw/zinc/25/13/87/169251387.db2.gz PZDQXXNOXUGHLI-UHFFFAOYSA-N 0 0 227.691 2.488 50 0 BEAARN CCCNC(=O)c1ccccc1OCC ZINC000001599166 169252603 /nfs/dbraw/zinc/25/26/03/169252603.db2.gz IDQXJFNULLTQBJ-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN c1n[nH]cc1-c1cnn(-c2ccccc2)c1 ZINC000039946613 183387010 /nfs/dbraw/zinc/38/70/10/183387010.db2.gz OCSPSWTXSMEULF-UHFFFAOYSA-N 0 0 210.240 2.262 50 0 BEAARN CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000004740648 169270989 /nfs/dbraw/zinc/27/09/89/169270989.db2.gz ZHPDXASXEXCARI-UHFFFAOYSA-N 0 0 247.747 2.169 50 0 BEAARN CCCNS(=O)(=O)c1cc(C)c(C)cc1C ZINC000011614138 169272322 /nfs/dbraw/zinc/27/23/22/169272322.db2.gz DOKDKIBEKCVQOA-UHFFFAOYSA-N 0 0 241.356 2.300 50 0 BEAARN CCCNS(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000032497852 169272400 /nfs/dbraw/zinc/27/24/00/169272400.db2.gz JZNHEIIIJBRCLA-UHFFFAOYSA-N 0 0 247.747 2.337 50 0 BEAARN CCCNS(=O)(=O)c1ccc(SC)cc1 ZINC000004810836 169272462 /nfs/dbraw/zinc/27/24/62/169272462.db2.gz ABTGLNKRNQDEOO-UHFFFAOYSA-N 0 0 245.369 2.097 50 0 BEAARN CCCNS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000042985608 169272587 /nfs/dbraw/zinc/27/25/87/169272587.db2.gz QZFAQQJMCLNHLR-UHFFFAOYSA-N 0 0 247.747 2.337 50 0 BEAARN CCCOC(=O)c1cc2ccccc2oc1=O ZINC000002007503 169300826 /nfs/dbraw/zinc/30/08/26/169300826.db2.gz WEIHNHDMVCFGRA-UHFFFAOYSA-N 0 0 232.235 2.360 50 0 BEAARN CCCOC(=O)c1c(N)sc2c1CCC2 ZINC000002027923 169300872 /nfs/dbraw/zinc/30/08/72/169300872.db2.gz CYWIEOWOBJPEMV-UHFFFAOYSA-N 0 0 225.313 2.386 50 0 BEAARN CCCOC1(CNC(C)=O)CCCCC1 ZINC000096451832 169301352 /nfs/dbraw/zinc/30/13/52/169301352.db2.gz UOCCAJJJNXIPDY-UHFFFAOYSA-N 0 0 213.321 2.252 50 0 BEAARN c1ccc2c(Cc3nnc(C4CC4)[nH]3)n[nH]c2c1 ZINC000067790355 183439011 /nfs/dbraw/zinc/43/90/11/183439011.db2.gz KFAVYARSLJBYGC-UHFFFAOYSA-N 0 0 239.282 2.149 50 0 BEAARN CCCOCCOc1ccc(N)cc1F ZINC000014630646 169309616 /nfs/dbraw/zinc/30/96/16/169309616.db2.gz IUDGUKNKZFHMQB-UHFFFAOYSA-N 0 0 213.252 2.213 50 0 BEAARN CCCOCCOc1ccc(C)cc1N ZINC000014629586 169309926 /nfs/dbraw/zinc/30/99/26/169309926.db2.gz CPQGFTFIDALXBR-UHFFFAOYSA-N 0 0 209.289 2.383 50 0 BEAARN CCCOc1ccc(-c2nonc2N)cc1 ZINC000026509275 169316020 /nfs/dbraw/zinc/31/60/20/169316020.db2.gz CKBKODPSEMHEHN-UHFFFAOYSA-N 0 0 219.244 2.108 50 0 BEAARN CCCOc1ccc(-c2cncnc2)cc1CO ZINC000096141969 169316279 /nfs/dbraw/zinc/31/62/79/169316279.db2.gz BTACZFKHRIKDEF-UHFFFAOYSA-N 0 0 244.294 2.425 50 0 BEAARN CCCNc1c(C=O)c(=O)oc2ccccc21 ZINC000002029129 169293687 /nfs/dbraw/zinc/29/36/87/169293687.db2.gz HKFAIEFECPBETD-UHFFFAOYSA-N 0 0 231.251 2.427 50 0 BEAARN CCCOc1ccc(C(=O)N(C)C)cc1 ZINC000006701947 169317065 /nfs/dbraw/zinc/31/70/65/169317065.db2.gz PHDJLZUYBHHXAU-UHFFFAOYSA-N 0 0 207.273 2.177 50 0 BEAARN CCCOC(=O)CCCCC(=O)OCCC ZINC000001680439 169297524 /nfs/dbraw/zinc/29/75/24/169297524.db2.gz NKOUWLLFHNBUDW-UHFFFAOYSA-N 0 0 230.304 2.453 50 0 endogenous,in-man BEAARN CCCSc1nc(O)c([C@@H](C)CC)c(=O)[nH]1 ZINC000016662313 169342167 /nfs/dbraw/zinc/34/21/67/169342167.db2.gz SPHSMTAROYKDFI-ZETCQYMHSA-N 0 0 242.344 2.491 50 0 BEAARN CCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000000030357 169370854 /nfs/dbraw/zinc/37/08/54/169370854.db2.gz ODMWZCBRHGGIGM-LLVKDONJSA-N 0 0 241.356 2.462 50 0 BEAARN CCC[C@@H](C)N(C)c1cc(=O)n2ccccc2n1 ZINC000169943887 169366457 /nfs/dbraw/zinc/36/64/57/169366457.db2.gz WCHJXNHVJQBRJE-LLVKDONJSA-N 0 0 245.326 2.319 50 0 BEAARN CCC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000032768135 169368753 /nfs/dbraw/zinc/36/87/53/169368753.db2.gz WMQZZYADZSJOTQ-MFKMUULPSA-N 0 0 233.311 2.295 50 0 BEAARN CCC[C@@H](C(=O)NC[C@@H](C)CO)c1ccccc1 ZINC000084740464 169344993 /nfs/dbraw/zinc/34/49/93/169344993.db2.gz AKHXAOLGUIZODA-TZMCWYRMSA-N 0 0 249.354 2.315 50 0 BEAARN CCC[C@@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000005591363 169349041 /nfs/dbraw/zinc/34/90/41/169349041.db2.gz MKKREYTWDYEBFD-MXWKQRLJSA-N 0 0 213.321 2.058 50 0 BEAARN CCC[C@@H](C)C(=O)NCc1cccnc1N(C)C ZINC000040534588 169351395 /nfs/dbraw/zinc/35/13/95/169351395.db2.gz LNSXWPXVVDSIQC-LLVKDONJSA-N 0 0 249.358 2.200 50 0 BEAARN c1cncc(CNc2ccc3c(c2)OCCO3)c1 ZINC000000516860 183495405 /nfs/dbraw/zinc/49/54/05/183495405.db2.gz RTIAQNPAVACRHE-UHFFFAOYSA-N 0 0 242.278 2.465 50 0 BEAARN CCC[C@@H](C)n1[nH]c(=O)c2c1[nH]c(=O)cc2C ZINC000000542519 169375192 /nfs/dbraw/zinc/37/51/92/169375192.db2.gz BISAQRPYEIKVKF-MRVPVSSYSA-N 0 0 235.287 2.100 50 0 BEAARN c1cncc(-c2noc(C3CCC3)n2)c1 ZINC000225555380 183489993 /nfs/dbraw/zinc/48/99/93/183489993.db2.gz MLNGHQZXVXBLLL-UHFFFAOYSA-N 0 0 201.229 2.399 50 0 BEAARN c1nc(CN2CCO[C@@H]3CCCC[C@@H]32)cs1 ZINC000048231860 183528052 /nfs/dbraw/zinc/52/80/52/183528052.db2.gz HTWUORNOPDEYPO-NWDGAFQWSA-N 0 0 238.356 2.287 50 0 BEAARN CCC[C@H](C(=O)N(CC)CCO)c1ccccc1 ZINC000098075357 169464415 /nfs/dbraw/zinc/46/44/15/169464415.db2.gz AHZIYYIKLKEOIX-AWEZNQCLSA-N 0 0 249.354 2.411 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)C[C@@H]2C1 ZINC000083338892 166652707 /nfs/dbraw/zinc/65/27/07/166652707.db2.gz WUSRHFOXQKJMKP-NXEZZACHSA-N 0 0 239.315 2.223 50 0 BEAARN CCC[C@H](Nc1ccccc1)N1C(=O)CCC1=O ZINC000000292121 169514966 /nfs/dbraw/zinc/51/49/66/169514966.db2.gz WRSHZIHPVQQJCZ-GFCCVEGCSA-N 0 0 246.310 2.374 50 0 BEAARN CCC[C@H]1CCCC[C@H]1NC(=O)COC ZINC000071796117 169525108 /nfs/dbraw/zinc/52/51/08/169525108.db2.gz GEFMBXWDCJMAFY-WDEREUQCSA-N 0 0 213.321 2.108 50 0 BEAARN CC(C)(C)OC(=O)NC[C@@H](O)c1ccccc1 ZINC000002541620 166662996 /nfs/dbraw/zinc/66/29/96/166662996.db2.gz FSRZPRRAZVZKFE-LLVKDONJSA-N 0 0 237.299 2.245 50 0 BEAARN CCCc1cc(=O)[nH]c2c1c(C)nn2CCC ZINC000015777699 169563044 /nfs/dbraw/zinc/56/30/44/169563044.db2.gz WPBDSUJBKMYPIQ-UHFFFAOYSA-N 0 0 233.315 2.396 50 0 BEAARN CCCc1nnc(NCc2csc(C)n2)o1 ZINC000097231685 169597935 /nfs/dbraw/zinc/59/79/35/169597935.db2.gz OSEZBPSKULYVCN-UHFFFAOYSA-N 0 0 238.316 2.399 50 0 BEAARN CCCc1sc(C)nc1-c1nnc(N)o1 ZINC000013365751 169610121 /nfs/dbraw/zinc/61/01/21/169610121.db2.gz JFSUIIQQOIAREG-UHFFFAOYSA-N 0 0 224.289 2.036 50 0 BEAARN CCN(C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000057744777 169660835 /nfs/dbraw/zinc/66/08/35/169660835.db2.gz ACZFIZRPSMXDSJ-UHFFFAOYSA-N 0 0 245.257 2.282 50 0 BEAARN Brc1ccccc1N1CCOCC1 ZINC000002506146 532971569 /nfs/dbraw/zinc/97/15/69/532971569.db2.gz SGUXGSGHYOGBDH-UHFFFAOYSA-N 0 0 242.116 2.286 50 0 BEAARN CC(=O)c1sc(-c2cnccn2)nc1C ZINC000000112737 383827262 /nfs/dbraw/zinc/82/72/62/383827262.db2.gz WYYZMBREQMJYKK-UHFFFAOYSA-N 0 0 219.269 2.111 50 0 BEAARN COC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000000041056 383819223 /nfs/dbraw/zinc/81/92/23/383819223.db2.gz XZUJVNYGVMCODI-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 BEAARN Cc1cc(C)c(Nc2ncnc(N)n2)c(C)c1 ZINC000000089433 383823976 /nfs/dbraw/zinc/82/39/76/383823976.db2.gz YVSMGHVTPPJDEJ-UHFFFAOYSA-N 0 0 229.287 2.123 50 0 BEAARN COC(=O)c1cc(Cl)cnc1Cl ZINC000000170124 383839413 /nfs/dbraw/zinc/83/94/13/383839413.db2.gz CNPFXYWTMBTSSI-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN Nc1nnc(-c2ccccc2Cl)s1 ZINC000000193396 383842654 /nfs/dbraw/zinc/84/26/54/383842654.db2.gz JKSGNHRIXMYPIO-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN O=C1CCC(CO)(c2ccccc2)CC1 ZINC000066055206 383844010 /nfs/dbraw/zinc/84/40/10/383844010.db2.gz LNDAAGLXLPQHRH-UHFFFAOYSA-N 0 0 204.269 2.060 50 0 BEAARN CC(C)(C)C(=O)Nc1cnc2c(c1)CCCO2 ZINC000066054472 383845640 /nfs/dbraw/zinc/84/56/40/383845640.db2.gz TXYXJIZRHLQYLM-UHFFFAOYSA-N 0 0 234.299 2.391 50 0 BEAARN O=Cc1cc2ncc(Br)cc2o1 ZINC000035270600 383847162 /nfs/dbraw/zinc/84/71/62/383847162.db2.gz GKQNDTWNODMNSB-UHFFFAOYSA-N 0 0 226.029 2.403 50 0 BEAARN Nc1noc2cc(Br)ccc12 ZINC000035287354 383847240 /nfs/dbraw/zinc/84/72/40/383847240.db2.gz CNLHHYURQCSYLB-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN CS/C=C\C(=O)OCc1scnc1C ZINC000098059393 383850782 /nfs/dbraw/zinc/85/07/82/383850782.db2.gz FJINUXXAMICBIE-ARJAWSKDSA-N 0 0 229.326 2.371 50 0 BEAARN COC(=O)CN1CCC[C@H]1c1ccsc1 ZINC000095350330 383858186 /nfs/dbraw/zinc/85/81/86/383858186.db2.gz KUVNFNXCQAIBKS-JTQLQIEISA-N 0 0 225.313 2.058 50 0 BEAARN CC(=O)c1cnc(Nc2ccco2)nc1C ZINC000066324817 383858631 /nfs/dbraw/zinc/85/86/31/383858631.db2.gz WKKDADMRFUVWKP-UHFFFAOYSA-N 0 0 217.228 2.324 50 0 BEAARN CO[C@H]1CCCC[C@H]1NC(=O)SC ZINC000000389944 383861131 /nfs/dbraw/zinc/86/11/31/383861131.db2.gz IOTMQUJRLGPJRI-SFYZADRCSA-N 0 0 203.307 2.017 50 0 BEAARN CC(=O)N1CC[C@@H](Cc2ncc(C)n2C(C)C)C1 ZINC000257180730 383862247 /nfs/dbraw/zinc/86/22/47/383862247.db2.gz LMRLRECTJTXEEZ-ZDUSSCGKSA-N 0 0 249.358 2.183 50 0 BEAARN Cc1ccc(C)c(NC(=O)N2CCOCC2)c1 ZINC000000396675 383864077 /nfs/dbraw/zinc/86/40/77/383864077.db2.gz WKDAOMLEHVYAOU-UHFFFAOYSA-N 0 0 234.299 2.168 50 0 BEAARN O=C(/C=C/c1cccs1)NC[C@@H]1CCCO1 ZINC000000474338 383872502 /nfs/dbraw/zinc/87/25/02/383872502.db2.gz XBRMYHOFSPOFPL-PORFMDCZSA-N 0 0 237.324 2.057 50 0 BEAARN CCc1ccccc1OCc1nnc(N)s1 ZINC000000530626 383875625 /nfs/dbraw/zinc/87/56/25/383875625.db2.gz BTJYBYXAGIBUNE-UHFFFAOYSA-N 0 0 235.312 2.262 50 0 BEAARN c1ccc2sc(N3CCOCC3)nc2c1 ZINC000000127975 383830625 /nfs/dbraw/zinc/83/06/25/383830625.db2.gz VVUVJGRVEYHIHC-UHFFFAOYSA-N 0 0 220.297 2.133 50 0 BEAARN CNc1nc(N)c(C(=O)c2ccc(C)cc2)s1 ZINC000000118867 383830985 /nfs/dbraw/zinc/83/09/85/383830985.db2.gz RSHMGWLEIDNTBP-UHFFFAOYSA-N 0 0 247.323 2.306 50 0 BEAARN CSC1=NN[C@@H](c2nn(C)cc2Cl)S1 ZINC000000127378 383831067 /nfs/dbraw/zinc/83/10/67/383831067.db2.gz ZHZBFMOCRSCUEE-ZCFIWIBFSA-N 0 0 248.764 2.043 50 0 BEAARN O=C1N[C@@H](c2ccco2)Nc2ccccc21 ZINC000000151327 383833546 /nfs/dbraw/zinc/83/35/46/383833546.db2.gz QCRTXSVKRLCOBJ-NSHDSACASA-N 0 0 214.224 2.134 50 0 biogenic BEAARN COC(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000000143497 383834015 /nfs/dbraw/zinc/83/40/15/383834015.db2.gz YUYPALCKTCGZCE-UHFFFAOYSA-N 0 0 236.271 2.003 50 0 BEAARN Cc1nc(C)n(Cc2nc(C)c(C)s2)n1 ZINC000088509689 383909520 /nfs/dbraw/zinc/90/95/20/383909520.db2.gz ATYYOWWLFLAVFY-UHFFFAOYSA-N 0 0 222.317 2.017 50 0 BEAARN Nc1ccc(NC(=O)C2CCCCC2)c(O)c1 ZINC000067321117 383921281 /nfs/dbraw/zinc/92/12/81/383921281.db2.gz ZIHSZLFWQKEAHV-UHFFFAOYSA-N 0 0 234.299 2.493 50 0 BEAARN O=C1NC(=O)C(=Cc2cccs2)S1 ZINC000001309935 383893642 /nfs/dbraw/zinc/89/36/42/383893642.db2.gz DOOLJLRRQAYVGK-XQRVVYSFSA-N 0 0 211.267 2.072 50 0 BEAARN COC(=O)c1ccc(Oc2cnns2)cc1 ZINC000001388243 383895825 /nfs/dbraw/zinc/89/58/25/383895825.db2.gz VPOKGLRQUYBWOW-UHFFFAOYSA-N 0 0 236.252 2.117 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)NCc2ccccc2)c1 ZINC000001404022 383896507 /nfs/dbraw/zinc/89/65/07/383896507.db2.gz DGJFLTUILJSAGX-UHFFFAOYSA-N 0 0 242.278 2.147 50 0 BEAARN CC(=O)c1c(=O)cc(C)oc1Nc1ccccn1 ZINC000002581688 383978654 /nfs/dbraw/zinc/97/86/54/383978654.db2.gz USRGFLALKOMVQU-UHFFFAOYSA-N 0 0 244.250 2.289 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc(Cl)nn1 ZINC000068296148 383984533 /nfs/dbraw/zinc/98/45/33/383984533.db2.gz ZZJOBCNIMHAKDP-UHFFFAOYSA-N 0 0 213.668 2.115 50 0 BEAARN Cc1ccnc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000089701908 383986182 /nfs/dbraw/zinc/98/61/82/383986182.db2.gz ZOMOKNZEZLLUDF-GHMZBOCLSA-N 0 0 203.289 2.021 50 0 BEAARN COC(=O)c1c[nH]c2cc(Cl)cnc12 ZINC000037593649 383987133 /nfs/dbraw/zinc/98/71/33/383987133.db2.gz RESWVHCNJSPUGN-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CSCCNC(=O)c1cccc(Cl)c1 ZINC000002836923 383990432 /nfs/dbraw/zinc/99/04/32/383990432.db2.gz SJTOHFHKUAFRNR-UHFFFAOYSA-N 0 0 229.732 2.433 50 0 BEAARN CC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 ZINC000089721544 383991499 /nfs/dbraw/zinc/99/14/99/383991499.db2.gz QXWDGDNNAWYGOM-SNVBAGLBSA-N 0 0 224.329 2.307 50 0 BEAARN COC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000000266342 383995599 /nfs/dbraw/zinc/99/55/99/383995599.db2.gz LJONAEUURGWZLX-UHFFFAOYSA-N 0 0 221.187 2.267 50 0 BEAARN O=C(c1cccnc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000089793929 383997622 /nfs/dbraw/zinc/99/76/22/383997622.db2.gz PEYXARVGHKTKPT-WCQYABFASA-N 0 0 230.311 2.486 50 0 BEAARN CCCCN1C(=S)SC(C)(C)[C@H]1NO ZINC000003165677 383998962 /nfs/dbraw/zinc/99/89/62/383998962.db2.gz FINDCSVWRWNRCF-ZETCQYMHSA-N 0 0 234.390 2.204 50 0 BEAARN Nc1cc2[nH]ncc2c(C(F)(F)F)c1 ZINC000089197357 383944552 /nfs/dbraw/zinc/94/45/52/383944552.db2.gz QPDJJRYTDKWCAY-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 BEAARN Fc1cc(Br)cc2c[nH]nc21 ZINC000089197231 383945015 /nfs/dbraw/zinc/94/50/15/383945015.db2.gz ISWLAMCDXBYLHD-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Nc1ccnc2c(-c3cc[nH]n3)cccc12 ZINC000067803317 383950021 /nfs/dbraw/zinc/95/00/21/383950021.db2.gz GYZBIVQBEJCDAK-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN C[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000037181005 383954103 /nfs/dbraw/zinc/95/41/03/383954103.db2.gz GWDRVMZGPSUTQH-MRVPVSSYSA-N 0 0 234.082 2.339 50 0 biogenic BEAARN CN(CC(F)F)C(=O)Nc1ccsc1 ZINC000334782034 383954509 /nfs/dbraw/zinc/95/45/09/383954509.db2.gz QBADFDOTAIODNA-UHFFFAOYSA-N 0 0 220.244 2.477 50 0 BEAARN C[NH2+][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000037180893 383954759 /nfs/dbraw/zinc/95/47/59/383954759.db2.gz XTGACMQDOADNHH-MRVPVSSYSA-N 0 0 234.082 2.339 50 0 biogenic BEAARN CC(C)(C)C(=O)Nc1cnc2n1CCCC2 ZINC000067934437 383958365 /nfs/dbraw/zinc/95/83/65/383958365.db2.gz YJRCSGXEJWIECX-UHFFFAOYSA-N 0 0 221.304 2.204 50 0 BEAARN CC(C)(C)OC(=O)n1ncc2ccc(N)cc21 ZINC000002526916 383971797 /nfs/dbraw/zinc/97/17/97/383971797.db2.gz ZUBZKAXFZUIBQY-UHFFFAOYSA-N 0 0 233.271 2.402 50 0 BEAARN COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)cc1 ZINC000002556292 383974163 /nfs/dbraw/zinc/97/41/63/383974163.db2.gz IFNSXAJHSAPYLB-FIFLTTCUSA-N 0 0 246.262 2.059 50 0 BEAARN C[NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000037425042 383975143 /nfs/dbraw/zinc/97/51/43/383975143.db2.gz QPAPLUQWHCZODB-QMMMGPOBSA-N 0 0 234.082 2.339 50 0 BEAARN CCN(CCC(=O)OC)c1ccccc1 ZINC000002566351 383976129 /nfs/dbraw/zinc/97/61/29/383976129.db2.gz AGKYCLGMYBHGSV-UHFFFAOYSA-N 0 0 207.273 2.076 50 0 BEAARN CC(C)(CC(=O)N1CCCO1)C(F)(F)F ZINC000334919361 383976800 /nfs/dbraw/zinc/97/68/00/383976800.db2.gz UNSAGLYFPHITLD-UHFFFAOYSA-N 0 0 225.210 2.129 50 0 BEAARN O=C([O-])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000003599297 384019742 /nfs/dbraw/zinc/01/97/42/384019742.db2.gz SRJQBBLGTWTOEB-UHFFFAOYSA-N 0 0 241.290 2.450 50 0 BEAARN O=C([O-])C1CC[NH+](Cc2cccs2)CC1 ZINC000003747777 384024759 /nfs/dbraw/zinc/02/47/59/384024759.db2.gz ZXNYZXNHHNYIQC-UHFFFAOYSA-N 0 0 225.313 2.045 50 0 BEAARN COC(=O)c1c(C)cc(C)nc1Br ZINC000068675273 384007668 /nfs/dbraw/zinc/00/76/68/384007668.db2.gz KLJYVQSOPHLQDS-UHFFFAOYSA-N 0 0 244.088 2.248 50 0 BEAARN CC[C@@H](C)CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC000071896641 384042837 /nfs/dbraw/zinc/04/28/37/384042837.db2.gz RTQCZZXCVMGWHE-SECBINFHSA-N 0 0 246.314 2.076 50 0 BEAARN O=Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000004206202 384044443 /nfs/dbraw/zinc/04/44/43/384044443.db2.gz PFMDPBFEHLDZOY-UHFFFAOYSA-N 0 0 212.632 2.314 50 0 BEAARN COC(=O)c1cc2c(cc(OC)c(C)c2OC)[nH]1 ZINC000004235113 384049924 /nfs/dbraw/zinc/04/99/24/384049924.db2.gz IYEYRXOJOYUTMJ-UHFFFAOYSA-N 0 0 249.266 2.280 50 0 BEAARN COC(=O)c1cccc(N2CCCC2)c1 ZINC000004245069 384050925 /nfs/dbraw/zinc/05/09/25/384050925.db2.gz JJJUYMBYOGDTKP-UHFFFAOYSA-N 0 0 205.257 2.073 50 0 BEAARN CCNC(=O)N1CC[C@H](OCc2ccccc2)C1 ZINC000257184644 384052662 /nfs/dbraw/zinc/05/26/62/384052662.db2.gz VABKICJVNDEYJQ-ZDUSSCGKSA-N 0 0 248.326 2.007 50 0 BEAARN O=Cc1c[nH]nc1-c1ccc2c(c1)OCCCO2 ZINC000003888573 384033698 /nfs/dbraw/zinc/03/36/98/384033698.db2.gz YPTBUFWKRCIYGE-UHFFFAOYSA-N 0 0 244.250 2.051 50 0 BEAARN CS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000004290594 384053855 /nfs/dbraw/zinc/05/38/55/384053855.db2.gz GSGHVVYVFJQASI-UHFFFAOYSA-N 0 0 238.230 2.250 50 0 BEAARN COC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000004037064 384036910 /nfs/dbraw/zinc/03/69/10/384036910.db2.gz PHZVAKSKMBVEHM-UHFFFAOYSA-N 0 0 244.172 2.368 50 0 BEAARN COC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000004069905 384037699 /nfs/dbraw/zinc/03/76/99/384037699.db2.gz SIVKEKMMNJJQEC-UHFFFAOYSA-N 0 0 238.626 2.233 50 0 BEAARN O=Cc1cccc(OC(=O)c2ccco2)c1 ZINC000004087974 384039038 /nfs/dbraw/zinc/03/90/38/384039038.db2.gz RYAKMEKANPHRLV-UHFFFAOYSA-N 0 0 216.192 2.311 50 0 BEAARN Cc1cnc(CN2CCC[C@@H]2c2noc(C)n2)o1 ZINC000076047184 384058144 /nfs/dbraw/zinc/05/81/44/384058144.db2.gz JCBRFCDHERQZIA-SNVBAGLBSA-N 0 0 248.286 2.012 50 0 BEAARN Cc1nnc2sc(/C=C/c3ccco3)nn12 ZINC000004487535 384063009 /nfs/dbraw/zinc/06/30/09/384063009.db2.gz KMRRVOCAQVOXAW-SNAWJCMRSA-N 0 0 232.268 2.258 50 0 BEAARN CCCCNC(=O)C(=O)Nc1ccccc1CC ZINC000004675794 384065475 /nfs/dbraw/zinc/06/54/75/384065475.db2.gz IUQHQTSVCFYQDF-UHFFFAOYSA-N 0 0 248.326 2.104 50 0 BEAARN Cc1ccc(C(C)C)c(OS(C)(=O)=O)c1 ZINC000004659191 384072643 /nfs/dbraw/zinc/07/26/43/384072643.db2.gz BGBNNCGFAZYOBF-UHFFFAOYSA-N 0 0 228.313 2.457 50 0 BEAARN COC(=O)c1cc(N(C)C)ccc1Cl ZINC000115259126 384075310 /nfs/dbraw/zinc/07/53/10/384075310.db2.gz PQXJXWHRTKTFAJ-UHFFFAOYSA-N 0 0 213.664 2.193 50 0 BEAARN COC(=O)c1cc(Cl)c(Cl)cc1N ZINC000038258951 384081836 /nfs/dbraw/zinc/08/18/36/384081836.db2.gz GPQSHTPSMYICPA-UHFFFAOYSA-N 0 0 220.055 2.362 50 0 BEAARN O=C(c1coc2ccccc12)N1CCC[C@@H]1CO ZINC000070392638 384104562 /nfs/dbraw/zinc/10/45/62/384104562.db2.gz SSRJFVPCARLRQE-SNVBAGLBSA-N 0 0 245.278 2.030 50 0 BEAARN COc1cc(CO)c(F)c(C(F)(F)F)c1 ZINC000091252072 384111778 /nfs/dbraw/zinc/11/17/78/384111778.db2.gz ZWHWVTLVMXSITQ-UHFFFAOYSA-N 0 0 224.153 2.345 50 0 BEAARN CC(=O)c1ccc(N2CCCC2)nc1F ZINC000039961313 384124237 /nfs/dbraw/zinc/12/42/37/384124237.db2.gz LODMNSOLEZKMIR-UHFFFAOYSA-N 0 0 208.236 2.024 50 0 BEAARN C[C@@H](NC(=O)C1CC1)c1ccc2c(c1)OCCO2 ZINC000005748292 384127218 /nfs/dbraw/zinc/12/72/18/384127218.db2.gz SBKUUNINEYBUAC-SECBINFHSA-N 0 0 247.294 2.045 50 0 BEAARN Nc1ccc(C[C@H]2COc3ccccc3C2)cn1 ZINC000091943744 384153836 /nfs/dbraw/zinc/15/38/36/384153836.db2.gz CMLJDRROYAADDO-GFCCVEGCSA-N 0 0 240.306 2.458 50 0 BEAARN CCc1cccc(C=O)c1-n1cccn1 ZINC000040449000 384155023 /nfs/dbraw/zinc/15/50/23/384155023.db2.gz WAORENYYQFYIRS-UHFFFAOYSA-N 0 0 200.241 2.247 50 0 BEAARN Nc1cc(Br)c(Cl)cn1 ZINC000071255969 384156364 /nfs/dbraw/zinc/15/63/64/384156364.db2.gz VIZMARKIEQIMIG-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Clc1cccc(-c2cnc3n2CCNC3)c1 ZINC000091692259 384138371 /nfs/dbraw/zinc/13/83/71/384138371.db2.gz GFVRZKZGTUWXKW-UHFFFAOYSA-N 0 0 233.702 2.307 50 0 BEAARN O=C1NC(=O)[C@@H](c2cccc(Cl)c2)S1 ZINC000091690445 384138642 /nfs/dbraw/zinc/13/86/42/384138642.db2.gz TURGTQILWPTNBT-SSDOTTSWSA-N 0 0 227.672 2.364 50 0 BEAARN Nc1cncc(C[C@@H]2COc3ccccc3C2)c1 ZINC000091708220 384140655 /nfs/dbraw/zinc/14/06/55/384140655.db2.gz WFGSPAAEEDRHHQ-LBPRGKRZSA-N 0 0 240.306 2.458 50 0 BEAARN COc1cc(C)ccc1-c1nccn1[C@H](C)CO ZINC000071750203 384176570 /nfs/dbraw/zinc/17/65/70/384176570.db2.gz ZZPOKRSXVLTFIQ-LLVKDONJSA-N 0 0 246.310 2.420 50 0 BEAARN CC(C)(C)c1nccn1CCn1cccn1 ZINC000071708112 384175678 /nfs/dbraw/zinc/17/56/78/384175678.db2.gz UESCHKATMMDEDL-UHFFFAOYSA-N 0 0 218.304 2.077 50 0 BEAARN FC(F)(F)CCc1ccnc(-c2cc[nH]n2)n1 ZINC000071746836 384176736 /nfs/dbraw/zinc/17/67/36/384176736.db2.gz QRRSEQWWFIIAQL-UHFFFAOYSA-N 0 0 242.204 2.362 50 0 BEAARN Cc1oncc1C(=O)Nc1ccccc1F ZINC000000385190 384162424 /nfs/dbraw/zinc/16/24/24/384162424.db2.gz LFUJZOWEJFTSGQ-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CC[C@H](NCc1noc(C)n1)c1nccs1 ZINC000097373874 384176143 /nfs/dbraw/zinc/17/61/43/384176143.db2.gz YCLZFKJUHDLKGH-QMMMGPOBSA-N 0 0 238.316 2.075 50 0 BEAARN CC[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1 ZINC000006726462 384165591 /nfs/dbraw/zinc/16/55/91/384165591.db2.gz IUMMHAKYCBGADK-CHWSQXEVSA-N 0 0 233.311 2.433 50 0 BEAARN Cc1ccc(NC(=O)NCc2ccncc2)nc1 ZINC000097372803 384176407 /nfs/dbraw/zinc/17/64/07/384176407.db2.gz FBMUBCLTZGYQOI-UHFFFAOYSA-N 0 0 242.282 2.107 50 0 BEAARN Cc1cc(C)c(C)c(OC[C@@H]2CNC(=O)O2)c1 ZINC000071773771 384178050 /nfs/dbraw/zinc/17/80/50/384178050.db2.gz PYGVTWOWFALXCC-NSHDSACASA-N 0 0 235.283 2.099 50 0 BEAARN Cn1ccc(CNc2nnc(C(C)(C)C)o2)c1 ZINC000097375451 384178617 /nfs/dbraw/zinc/17/86/17/384178617.db2.gz IVWPBVJOQYEEFD-UHFFFAOYSA-N 0 0 234.303 2.318 50 0 BEAARN Clc1cc2n[nH]nc2c(Br)c1 ZINC000071791189 384180257 /nfs/dbraw/zinc/18/02/57/384180257.db2.gz UGPWZFADLQDFPP-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Cc1ccn(CCc2n[nH]c(=S)n2C2CC2)n1 ZINC000002788311 384184071 /nfs/dbraw/zinc/18/40/71/384184071.db2.gz CBIVSWWMWPZDJA-UHFFFAOYSA-N 0 0 249.343 2.023 50 0 BEAARN Cc1ccn2c(Br)c(C=O)nc2c1 ZINC000071864025 384184175 /nfs/dbraw/zinc/18/41/75/384184175.db2.gz YQGGZWQDUAEDFW-UHFFFAOYSA-N 0 0 239.072 2.218 50 0 BEAARN CCCCOCC(=O)N[C@H]1COc2ccccc21 ZINC000118217674 384193389 /nfs/dbraw/zinc/19/33/89/384193389.db2.gz GQUOIQGIHRWMLL-LBPRGKRZSA-N 0 0 249.310 2.053 50 0 BEAARN FC(F)(F)c1ccc(Br)nn1 ZINC000072193270 384197764 /nfs/dbraw/zinc/19/77/64/384197764.db2.gz WCBUSZLXHSFLHK-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN CNc1nc(C)c(C(=O)c2cccnc2)s1 ZINC000008715583 384213041 /nfs/dbraw/zinc/21/30/41/384213041.db2.gz WMRZNRJMABNZNT-UHFFFAOYSA-N 0 0 233.296 2.119 50 0 BEAARN Cc1nc(-c2ccncc2)sc1CO ZINC000009280584 384240312 /nfs/dbraw/zinc/24/03/12/384240312.db2.gz WSBUFMYJALKFHJ-UHFFFAOYSA-N 0 0 206.270 2.006 50 0 BEAARN C[C@H](C1CC1)[N@H+](CC(=O)[O-])Cc1ccccc1 ZINC000237478756 384227115 /nfs/dbraw/zinc/22/71/15/384227115.db2.gz LBISHEJXFTYVHQ-LLVKDONJSA-N 0 0 233.311 2.372 50 0 BEAARN O=Cc1cccn1-c1cc(Cl)ccn1 ZINC000008991049 384229972 /nfs/dbraw/zinc/22/99/72/384229972.db2.gz ABTWKDJXKOPRFL-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN O=C(NC1(c2ccc(F)c(F)c2)CC1)C(F)F ZINC000408514920 384270461 /nfs/dbraw/zinc/27/04/61/384270461.db2.gz ZUGXHFJJJMTTFE-UHFFFAOYSA-N 0 0 247.191 2.335 50 0 BEAARN COC(=O)c1ccc([C@H](O)C(F)(F)F)cc1 ZINC000043367973 384271666 /nfs/dbraw/zinc/27/16/66/384271666.db2.gz PLJUNKFWSHGRNI-QMMMGPOBSA-N 0 0 234.173 2.069 50 0 BEAARN CCN(CC(C)(C)C)c1ncnc2c1cnn2C ZINC000408518432 384273865 /nfs/dbraw/zinc/27/38/65/384273865.db2.gz HNRVCERAVJVFPL-UHFFFAOYSA-N 0 0 247.346 2.236 50 0 BEAARN CC(C(=O)NC[C@@H]1CCCOC1)=C1CCC1 ZINC000408519439 384276653 /nfs/dbraw/zinc/27/66/53/384276653.db2.gz QGRQJRAQSUVADD-NSHDSACASA-N 0 0 223.316 2.030 50 0 BEAARN CC(C)c1cc(C(=O)N2CCCCC2)on1 ZINC000064555277 384309032 /nfs/dbraw/zinc/30/90/32/384309032.db2.gz PXKPAVCJECXGGM-UHFFFAOYSA-N 0 0 222.288 2.424 50 0 BEAARN CCc1nc(N)nc(Cl)c1Br ZINC000074942527 384314807 /nfs/dbraw/zinc/31/48/07/384314807.db2.gz SVTZSKWCDVDEQB-UHFFFAOYSA-N 0 0 236.500 2.037 50 0 BEAARN C[C@@H]1OCC[C@H]1[S@@](=O)Cc1ccccc1F ZINC000097021110 384284682 /nfs/dbraw/zinc/28/46/82/384284682.db2.gz VKJNRBMNTUBNED-PXTQAZKISA-N 0 0 242.315 2.252 50 0 BEAARN CCc1ccc2c(c1)C(C)(C)[C@]1(C)NC(=O)CN21 ZINC000011731169 384294753 /nfs/dbraw/zinc/29/47/53/384294753.db2.gz QLBXBACRPJYSTI-OAHLLOKOSA-N 0 0 244.338 2.193 50 0 BEAARN COC[C@@H](C)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000179035896 384296847 /nfs/dbraw/zinc/29/68/47/384296847.db2.gz NOFHFURBNDDZQL-SNVBAGLBSA-N 0 0 248.326 2.266 50 0 BEAARN CCCC[NH+](CCCC)CCC(=O)[O-] ZINC000011798867 384297900 /nfs/dbraw/zinc/29/79/00/384297900.db2.gz WVIVDMIARDUSDI-UHFFFAOYSA-N 0 0 201.310 2.363 50 0 BEAARN CC(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000011888249 384300602 /nfs/dbraw/zinc/30/06/02/384300602.db2.gz LABPIJKUOMAUTO-UHFFFAOYSA-N 0 0 235.674 2.432 50 0 BEAARN COC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000133624858 384302393 /nfs/dbraw/zinc/30/23/93/384302393.db2.gz PTPWFFZQLBEBNY-QWHCGFSZSA-N 0 0 233.311 2.085 50 0 BEAARN COC(=O)c1cc2cc(OC)ccc2nc1C ZINC000012916932 384340935 /nfs/dbraw/zinc/34/09/35/384340935.db2.gz PWFFXADHZQOAON-UHFFFAOYSA-N 0 0 231.251 2.338 50 0 BEAARN O=C(C1CCC1)N1CCc2ccccc21 ZINC000012917541 384342323 /nfs/dbraw/zinc/34/23/23/384342323.db2.gz CNXJQXIACFTTBP-UHFFFAOYSA-N 0 0 201.269 2.376 50 0 BEAARN COC(=O)c1ccc(-c2cccc(O)c2)o1 ZINC000012957861 384344083 /nfs/dbraw/zinc/34/40/83/384344083.db2.gz ZUIHUWQLICIWDI-UHFFFAOYSA-N 0 0 218.208 2.439 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)c(C)c1 ZINC000012971380 384344390 /nfs/dbraw/zinc/34/43/90/384344390.db2.gz ICNWKIZOJRUILK-LDYMZIIASA-N 0 0 247.294 2.376 50 0 BEAARN CC(=O)N1N=C(c2ccccc2)O[C@H]1C(C)C ZINC000076006908 384349982 /nfs/dbraw/zinc/34/99/82/384349982.db2.gz LKVFLUPETWHODK-ZDUSSCGKSA-N 0 0 232.283 2.209 50 0 BEAARN CCC[C@H](C)NC(=O)c1c(C)noc1C ZINC000013330507 384354878 /nfs/dbraw/zinc/35/48/78/384354878.db2.gz KJSRVVPEWPZLMZ-ZETCQYMHSA-N 0 0 210.277 2.210 50 0 BEAARN Cc1cscc1C(=O)NCC(=O)c1ccco1 ZINC000097107426 384358599 /nfs/dbraw/zinc/35/85/99/384358599.db2.gz LLSQECLBHPBMHS-UHFFFAOYSA-N 0 0 249.291 2.262 50 0 BEAARN O=Cc1cccc(F)c1N1CC(F)(F)C1 ZINC000095081221 384358540 /nfs/dbraw/zinc/35/85/40/384358540.db2.gz NESHJFLTXIPIOK-UHFFFAOYSA-N 0 0 215.174 2.094 50 0 BEAARN O=Cc1cccc(F)c1N1CCC(F)(F)C1 ZINC000095081223 384358996 /nfs/dbraw/zinc/35/89/96/384358996.db2.gz ZLBCJQABMUEMLP-UHFFFAOYSA-N 0 0 229.201 2.484 50 0 BEAARN C[NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000037180887 384363776 /nfs/dbraw/zinc/36/37/76/384363776.db2.gz XUSJFRAYQKFOSU-QMMMGPOBSA-N 0 0 234.082 2.339 50 0 BEAARN Cc1nc(C)c(C)c(NC[C@@H]2CCCCO2)n1 ZINC000095370733 384370500 /nfs/dbraw/zinc/37/05/00/384370500.db2.gz MJALWTKBSWMCGO-LBPRGKRZSA-N 0 0 235.331 2.383 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1O ZINC000095348155 384371585 /nfs/dbraw/zinc/37/15/85/384371585.db2.gz FXVLUNMZSAJYNE-NXEZZACHSA-N 0 0 229.320 2.205 50 0 BEAARN COC(=O)CN1CCC[C@@H]1c1ccsc1 ZINC000095350329 384372223 /nfs/dbraw/zinc/37/22/23/384372223.db2.gz KUVNFNXCQAIBKS-SNVBAGLBSA-N 0 0 225.313 2.058 50 0 BEAARN Cc1ccc(C(=O)Nc2ccon2)cc1 ZINC000013745720 384372854 /nfs/dbraw/zinc/37/28/54/384372854.db2.gz CCJMYSPUDFSLMZ-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CCOc1cccc(Cn2nc(C)cc2C)n1 ZINC000097085695 384325419 /nfs/dbraw/zinc/32/54/19/384325419.db2.gz LYAZHZWTGZBPMU-UHFFFAOYSA-N 0 0 231.299 2.342 50 0 BEAARN COC(=O)c1c(O)cn(-c2ccccc2)c1C ZINC000000454827 384326700 /nfs/dbraw/zinc/32/67/00/384326700.db2.gz BHHGNHOHWVGUDS-UHFFFAOYSA-N 0 0 231.251 2.278 50 0 BEAARN COC(=O)c1ccc(C(=O)c2ccccc2)o1 ZINC000012650125 384329143 /nfs/dbraw/zinc/32/91/43/384329143.db2.gz FILYPAWPUAUFFC-UHFFFAOYSA-N 0 0 230.219 2.297 50 0 BEAARN CCc1ccc2c(c1)c(C)c(C(=O)NC)n2C ZINC000012652661 384332680 /nfs/dbraw/zinc/33/26/80/384332680.db2.gz MDSCOBZJEXGNKF-UHFFFAOYSA-N 0 0 230.311 2.409 50 0 BEAARN Cc1cccc(N2CC[C@H]3OCCC[C@@H]3C2)n1 ZINC000097096673 384333692 /nfs/dbraw/zinc/33/36/92/384333692.db2.gz KXTCLVQVFQHQEV-CHWSQXEVSA-N 0 0 232.327 2.395 50 0 BEAARN Nc1nc(C(F)(F)F)ccc1Br ZINC000077031569 384391745 /nfs/dbraw/zinc/39/17/45/384391745.db2.gz PNTYGOBZCMESJG-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN Cn1ncc2cc(O)c(Br)cc21 ZINC000095743131 384392651 /nfs/dbraw/zinc/39/26/51/384392651.db2.gz HQZWXUJQORXMPL-UHFFFAOYSA-N 0 0 227.061 2.041 50 0 BEAARN CCONC(=O)c1cccc(-n2cccc2)c1 ZINC000032848349 384401292 /nfs/dbraw/zinc/40/12/92/384401292.db2.gz BZBJNOSHYZZFFU-UHFFFAOYSA-N 0 0 230.267 2.159 50 0 BEAARN C[C@H](NCc1ccco1)c1nnc2n1CCCC2 ZINC000084668007 384404922 /nfs/dbraw/zinc/40/49/22/384404922.db2.gz CEFNTGQTYXIUMR-JTQLQIEISA-N 0 0 246.314 2.058 50 0 BEAARN C[C@H](O)CNc1ccc2ccc(F)cc2n1 ZINC000084640143 384405545 /nfs/dbraw/zinc/40/55/45/384405545.db2.gz JPLZCVIDQJNNEU-QMMMGPOBSA-N 0 0 220.247 2.167 50 0 BEAARN Cc1cc(C)c2nc(C)cc(NN)c2c1 ZINC000014807649 384407764 /nfs/dbraw/zinc/40/77/64/384407764.db2.gz DUKYYDHVJCDVFZ-UHFFFAOYSA-N 0 0 201.273 2.446 50 0 BEAARN CCOc1cc(C(F)(F)F)cc(N)n1 ZINC000095930379 384410323 /nfs/dbraw/zinc/41/03/23/384410323.db2.gz UAQNYHNCACGIGS-UHFFFAOYSA-N 0 0 206.167 2.081 50 0 BEAARN CC/C=C(/C)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000061373134 384413603 /nfs/dbraw/zinc/41/36/03/384413603.db2.gz AYGPMVWHBSFGAP-UITAMQMPSA-N 0 0 247.298 2.472 50 0 BEAARN Cc1noc(Cc2c[nH]c3ccccc23)n1 ZINC000045894487 384415789 /nfs/dbraw/zinc/41/57/89/384415789.db2.gz XYEBPGCTFCSQEW-UHFFFAOYSA-N 0 0 213.240 2.450 50 0 BEAARN COC(=O)c1cc(Cl)ccc1C(C)=O ZINC000096034548 384427062 /nfs/dbraw/zinc/42/70/62/384427062.db2.gz GRIZRWIVKZXLBP-UHFFFAOYSA-N 0 0 212.632 2.329 50 0 BEAARN CN(Cc1ccncc1)C(=O)C[C@@H]1C=CCC1 ZINC000046044981 384420265 /nfs/dbraw/zinc/42/02/65/384420265.db2.gz ZFCDCQOUSCEXNB-GFCCVEGCSA-N 0 0 230.311 2.396 50 0 BEAARN O=Cc1cc(C(F)(F)F)nn1[C@@H]1CCCCO1 ZINC000095495580 384377775 /nfs/dbraw/zinc/37/77/75/384377775.db2.gz PZQZOLLJNBPAHA-VIFPVBQESA-N 0 0 248.204 2.414 50 0 BEAARN O=C([C@H]1CC=CCC1)N1CCC[C@@H]1CF ZINC000294153731 384379540 /nfs/dbraw/zinc/37/95/40/384379540.db2.gz RRQCLMVUYWZSAP-WDEREUQCSA-N 0 0 211.280 2.303 50 0 BEAARN CC[C@H](O)Cn1nc(C(C)C)nc1C(C)(C)C ZINC000095497917 384381080 /nfs/dbraw/zinc/38/10/80/384381080.db2.gz IJCIVFDIWZHQQC-JTQLQIEISA-N 0 0 239.363 2.470 50 0 BEAARN FC(F)c1nnc2c(Br)cccn21 ZINC000095616401 384382947 /nfs/dbraw/zinc/38/29/47/384382947.db2.gz DAVHZEZZIJDWPQ-UHFFFAOYSA-N 0 0 248.030 2.429 50 0 BEAARN Cn1c(Br)cc2c1ncnc2Cl ZINC000095629903 384385551 /nfs/dbraw/zinc/38/55/51/384385551.db2.gz HJRUBAFHLGXGHN-UHFFFAOYSA-N 0 0 246.495 2.384 50 0 BEAARN Fc1cc(F)c2c(Br)cnn2c1 ZINC000095642870 384386767 /nfs/dbraw/zinc/38/67/67/384386767.db2.gz RDYLYAQTFNASIS-UHFFFAOYSA-N 0 0 233.015 2.375 50 0 BEAARN CC(C)(C)c1ncn(Cc2ccc(CO)cc2)n1 ZINC000330367266 384387756 /nfs/dbraw/zinc/38/77/56/384387756.db2.gz SEIMDRPCSXVIAY-UHFFFAOYSA-N 0 0 245.326 2.116 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000095644287 384387886 /nfs/dbraw/zinc/38/78/86/384387886.db2.gz ISZLPPFTZXTGHT-VWYCJHECSA-N 0 0 241.331 2.014 50 0 BEAARN CCCC(=O)c1ccc(C(=O)OC)cc1 ZINC000059756028 384447801 /nfs/dbraw/zinc/44/78/01/384447801.db2.gz KTZOAXDUBMENLM-UHFFFAOYSA-N 0 0 206.241 2.456 50 0 BEAARN Cn1ncc2c1cccc2Br ZINC000015444577 384431463 /nfs/dbraw/zinc/43/14/63/384431463.db2.gz AQUSISHVASVOBL-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN O=C(Nc1nncs1)c1ccc(F)cc1F ZINC000016385283 384457006 /nfs/dbraw/zinc/45/70/06/384457006.db2.gz QVOTYORZTLZMLL-UHFFFAOYSA-N 0 0 241.222 2.069 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)C1CC1 ZINC000000419832 384440072 /nfs/dbraw/zinc/44/00/72/384440072.db2.gz NJIPGDYKLBDXJX-SECBINFHSA-N 0 0 201.269 2.374 50 0 BEAARN Cc1cc(-c2ccccc2S(C)(=O)=O)ccn1 ZINC000096162769 384440844 /nfs/dbraw/zinc/44/08/44/384440844.db2.gz GESVDSJJHXYSQU-UHFFFAOYSA-N 0 0 247.319 2.461 50 0 BEAARN C[C@@H](NC(=O)c1cccc(O)c1)C(C)(F)F ZINC000335656541 384457288 /nfs/dbraw/zinc/45/72/88/384457288.db2.gz LLEKRPIDDYDDEA-SSDOTTSWSA-N 0 0 229.226 2.166 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)s1 ZINC000016603972 384463528 /nfs/dbraw/zinc/46/35/28/384463528.db2.gz CFKIOTBWINBACY-UWVGGRQHSA-N 0 0 239.340 2.354 50 0 BEAARN Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCCC2)cc1 ZINC000016739303 384468292 /nfs/dbraw/zinc/46/82/92/384468292.db2.gz GLVCZQPNGPMPNZ-LBPRGKRZSA-N 0 0 219.284 2.217 50 0 BEAARN C[C@H](NC(=O)c1cccnc1)C(C)(C)C ZINC000016957972 384475647 /nfs/dbraw/zinc/47/56/47/384475647.db2.gz UWGJBMHDCRFLHZ-VIFPVBQESA-N 0 0 206.289 2.246 50 0 BEAARN O=Cc1cc(Br)c2c(c1)OCCO2 ZINC000017043787 384478353 /nfs/dbraw/zinc/47/83/53/384478353.db2.gz HRSYWPMGIIAQIW-UHFFFAOYSA-N 0 0 243.056 2.033 50 0 BEAARN O=C(/C=C\c1cccnc1)Nc1nccs1 ZINC000096988867 384481798 /nfs/dbraw/zinc/48/17/98/384481798.db2.gz IQNXJUGWQCDPIW-ARJAWSKDSA-N 0 0 231.280 2.190 50 0 BEAARN Cc1ccc(F)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000155578540 384496387 /nfs/dbraw/zinc/49/63/87/384496387.db2.gz MVNWEISJOKICRP-WQAKAFBOSA-N 0 0 249.285 2.184 50 0 BEAARN O=Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000019089718 384509056 /nfs/dbraw/zinc/50/90/56/384509056.db2.gz REMKDKLUCMAKDU-UHFFFAOYSA-N 0 0 208.604 2.203 50 0 BEAARN O=Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000019088459 384509935 /nfs/dbraw/zinc/50/99/35/384509935.db2.gz WZXGTPGACUQZRZ-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN O=C(C1=CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000098019370 384535031 /nfs/dbraw/zinc/53/50/31/384535031.db2.gz ZOWLLORORZDOLK-QWHCGFSZSA-N 0 0 235.327 2.267 50 0 BEAARN Nc1nnc(-c2cc(Br)cs2)o1 ZINC000048981034 384516250 /nfs/dbraw/zinc/51/62/50/384516250.db2.gz WQEMOACMKHGEIX-UHFFFAOYSA-N 0 0 246.089 2.143 50 0 BEAARN c1[nH]c2ccccc2c1CN1CCOCC1 ZINC000019300701 384516520 /nfs/dbraw/zinc/51/65/20/384516520.db2.gz VHGISLOQNDQFIW-UHFFFAOYSA-N 0 0 216.284 2.000 50 0 BEAARN Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)n1C ZINC000049044221 384518841 /nfs/dbraw/zinc/51/88/41/384518841.db2.gz MLQJAVICIYWVBC-UHFFFAOYSA-N 0 0 246.314 2.432 50 0 BEAARN CCCCNC(=O)Cc1ccc(C)cc1 ZINC000002190794 384519390 /nfs/dbraw/zinc/51/93/90/384519390.db2.gz RHGXOHGBJLBGJF-UHFFFAOYSA-N 0 0 205.301 2.454 50 0 biogenic BEAARN COC(=O)c1c(N)scc1-c1ccccn1 ZINC000019870434 384544168 /nfs/dbraw/zinc/54/41/68/384544168.db2.gz NXMHKBKXAJMVPT-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN COc1c(Br)ccc(C=O)c1F ZINC000097743312 384552134 /nfs/dbraw/zinc/55/21/34/384552134.db2.gz YFEKAAWOIBRRRZ-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN COC(=O)/C=C/c1ccc(C(F)(F)F)nc1 ZINC000097756954 384554002 /nfs/dbraw/zinc/55/40/02/384554002.db2.gz GJSIGPHXRXJJRY-HWKANZROSA-N 0 0 231.173 2.287 50 0 BEAARN CC(C)(CCO)Nc1ncnc2sccc21 ZINC000072301732 384561638 /nfs/dbraw/zinc/56/16/38/384561638.db2.gz BLDFPIIAURTPJJ-UHFFFAOYSA-N 0 0 237.328 2.264 50 0 BEAARN CCc1cc(O)ccc1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000253427867 384538309 /nfs/dbraw/zinc/53/83/09/384538309.db2.gz BDFQHJHVFITYEN-BXKDBHETSA-N 0 0 249.310 2.318 50 0 BEAARN Cc1ccc(C)c(OCCN2CCOCC2)c1C ZINC000019770559 384538839 /nfs/dbraw/zinc/53/88/39/384538839.db2.gz TYPFWSBTFXXHJU-UHFFFAOYSA-N 0 0 249.354 2.323 50 0 BEAARN C[NH+](C)CCNc1cccc(Br)c1 ZINC000020051817 384571952 /nfs/dbraw/zinc/57/19/52/384571952.db2.gz NTMUDWQRSUZEMP-UHFFFAOYSA-N 0 0 243.148 2.423 50 0 BEAARN Cc1nnc2ccc(-c3ccccc3)nn12 ZINC000020095944 384574074 /nfs/dbraw/zinc/57/40/74/384574074.db2.gz OAVPGZZEIGFNCJ-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000049890800 384575353 /nfs/dbraw/zinc/57/53/53/384575353.db2.gz DGWAFPJQILOVAM-LBPRGKRZSA-N 0 0 233.311 2.385 50 0 BEAARN CCCc1nnc(NCc2ccc(C)cn2)o1 ZINC000097045420 384588859 /nfs/dbraw/zinc/58/88/59/384588859.db2.gz QAQDFHKUFNZBSE-UHFFFAOYSA-N 0 0 232.287 2.338 50 0 BEAARN Cc1noc(-c2nc(-c3cccc(C)c3)no2)n1 ZINC000098212319 384603949 /nfs/dbraw/zinc/60/39/49/384603949.db2.gz JWPSLJPAXMMOBS-UHFFFAOYSA-N 0 0 242.238 2.403 50 0 BEAARN Nc1ccc(Br)c(Cl)c1N ZINC000098214275 384607065 /nfs/dbraw/zinc/60/70/65/384607065.db2.gz VSDGRNKLELOPOS-UHFFFAOYSA-N 0 0 221.485 2.267 50 0 BEAARN Cc1[nH]nc2c1C1(CCCCC1)CC(=O)N2 ZINC000081213638 384609383 /nfs/dbraw/zinc/60/93/83/384609383.db2.gz LECZXRXHELRVBO-UHFFFAOYSA-N 0 0 219.288 2.262 50 0 BEAARN Fc1ccc(-c2n[nH]cc2Br)nc1 ZINC000098095837 384593136 /nfs/dbraw/zinc/59/31/36/384593136.db2.gz BDHAZRCYLHSAIY-UHFFFAOYSA-N 0 0 242.051 2.373 50 0 BEAARN C[C@@H](NC(=O)COC1CCCC1)c1ccccn1 ZINC000044312762 384595680 /nfs/dbraw/zinc/59/56/80/384595680.db2.gz JPWNAHPUCRYBND-LLVKDONJSA-N 0 0 248.326 2.218 50 0 BEAARN Cn1ccc2c(Br)cccc2c1=O ZINC000082329819 384669284 /nfs/dbraw/zinc/66/92/84/384669284.db2.gz ATCBXWHELADABE-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN NN=c1nc(-c2cc3ccccc3o2)cc[nH]1 ZINC000081947182 384642411 /nfs/dbraw/zinc/64/24/11/384642411.db2.gz FIGFSJYUUBCLHF-UHFFFAOYSA-N 0 0 226.239 2.175 50 0 BEAARN Cc1c[n+]([O-])c(C)c(C)c1Br ZINC000082048817 384645274 /nfs/dbraw/zinc/64/52/74/384645274.db2.gz XJTFVTIYKKOOCN-UHFFFAOYSA-N 0 0 216.078 2.008 50 0 BEAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccccc1O ZINC000100577112 384647090 /nfs/dbraw/zinc/64/70/90/384647090.db2.gz QHOUAEQAWXAJBD-AOOOYVTPSA-N 0 0 245.278 2.072 50 0 BEAARN CC(=O)c1cnc(Br)s1 ZINC000082379236 384675320 /nfs/dbraw/zinc/67/53/20/384675320.db2.gz XGHAHIKODQEJTA-UHFFFAOYSA-N 0 0 206.064 2.108 50 0 BEAARN CC(=O)Nc1nc2c(s1)CCCCC2 ZINC000021138218 384651996 /nfs/dbraw/zinc/65/19/96/384651996.db2.gz CLXJBPBHHVGPMA-UHFFFAOYSA-N 0 0 210.302 2.370 50 0 BEAARN Cc1ccc(NC(=O)N2CC[C@@](C)(O)C2)s1 ZINC000175440205 384654760 /nfs/dbraw/zinc/65/47/60/384654760.db2.gz VDTAPZRBLWJDKN-LLVKDONJSA-N 0 0 240.328 2.045 50 0 BEAARN Fc1ccc(CNc2ncccn2)c(F)c1 ZINC000050197796 384689342 /nfs/dbraw/zinc/68/93/42/384689342.db2.gz HEPRNHSWNFYQSB-UHFFFAOYSA-N 0 0 221.210 2.367 50 0 BEAARN Nc1noc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000082539302 384690626 /nfs/dbraw/zinc/69/06/26/384690626.db2.gz KWNPWZFHKFEIOO-UHFFFAOYSA-N 0 0 229.161 2.338 50 0 BEAARN O=C([O-])c1ccc(CC[NH+]2CCCCC2)cc1 ZINC000082656859 384702123 /nfs/dbraw/zinc/70/21/23/384702123.db2.gz HWRLUKRBTODUJQ-UHFFFAOYSA-N 0 0 233.311 2.413 50 0 BEAARN CCCCCNC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000095457443 384702454 /nfs/dbraw/zinc/70/24/54/384702454.db2.gz LTQQKJNFFYXPSP-RYUDHWBXSA-N 0 0 242.363 2.291 50 0 BEAARN Fc1cc2[nH]cnc2c(Br)c1 ZINC000051943532 384703813 /nfs/dbraw/zinc/70/38/13/384703813.db2.gz MGODHAPVAQOGMN-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN COC(=O)Cc1cc(Br)ccc1F ZINC000082726865 384705998 /nfs/dbraw/zinc/70/59/98/384705998.db2.gz YBTIMQBJXNRZEQ-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN COC(=O)c1cc2oc(C)cc2c(O)c1 ZINC000051971070 384708321 /nfs/dbraw/zinc/70/83/21/384708321.db2.gz ITSXUNBDKRJPHJ-UHFFFAOYSA-N 0 0 206.197 2.233 50 0 BEAARN Cn1ncc2ccc(Br)cc21 ZINC000021982168 384712536 /nfs/dbraw/zinc/71/25/36/384712536.db2.gz SVVSOIGNROPKMS-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Nc1cc(Br)cc(Cl)c1O ZINC000052064482 384713633 /nfs/dbraw/zinc/71/36/33/384713633.db2.gz HYCUENMUMRTVQV-UHFFFAOYSA-N 0 0 222.469 2.390 50 0 BEAARN COC(=O)c1ccnc([C@H]2CCCCC2=O)c1 ZINC000004754184 384715929 /nfs/dbraw/zinc/71/59/29/384715929.db2.gz GRDCCZSONAJHRF-SNVBAGLBSA-N 0 0 233.267 2.095 50 0 BEAARN CC(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000181669313 384773418 /nfs/dbraw/zinc/77/34/18/384773418.db2.gz WKWBMXLUWGFLDM-NSHDSACASA-N 0 0 223.247 2.176 50 0 BEAARN Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1 ZINC000081217803 384731854 /nfs/dbraw/zinc/73/18/54/384731854.db2.gz ZHVNZQRPDRCQNL-UHFFFAOYSA-N 0 0 237.262 2.172 50 0 BEAARN O=c1cc(C(F)F)ncn1[C@@H]1C=CCCC1 ZINC000291588911 384778986 /nfs/dbraw/zinc/77/89/86/384778986.db2.gz HGXRFXFGSBBQHG-MRVPVSSYSA-N 0 0 226.226 2.462 50 0 BEAARN NS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000081037384 384733418 /nfs/dbraw/zinc/73/34/18/384733418.db2.gz SLZNTHJORUXGAZ-UHFFFAOYSA-N 0 0 247.728 2.202 50 0 BEAARN Nc1cc(Br)c(C(F)(F)F)cn1 ZINC000238596571 384736440 /nfs/dbraw/zinc/73/64/40/384736440.db2.gz KBRBWYOANHJCTI-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN O=C(CC1CCSCC1)N1CCCC1 ZINC000082300665 384742779 /nfs/dbraw/zinc/74/27/79/384742779.db2.gz HVUATURPFUBONE-UHFFFAOYSA-N 0 0 213.346 2.142 50 0 BEAARN c1ccc2c(c1)CCN=C2[C@@H]1CCCO1 ZINC000004826023 384748872 /nfs/dbraw/zinc/74/88/72/384748872.db2.gz LSHRXRTVJOAZIR-LBPRGKRZSA-N 0 0 201.269 2.211 50 0 BEAARN CC(C)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000052851966 384750576 /nfs/dbraw/zinc/75/05/76/384750576.db2.gz VIXNVCQVNWNIMN-AWEZNQCLSA-N 0 0 246.354 2.158 50 0 BEAARN CC(C)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000052851965 384750787 /nfs/dbraw/zinc/75/07/87/384750787.db2.gz VIXNVCQVNWNIMN-CQSZACIVSA-N 0 0 246.354 2.158 50 0 BEAARN COCc1noc([C@@H]2CCOc3ccccc32)n1 ZINC000083914984 384754669 /nfs/dbraw/zinc/75/46/69/384754669.db2.gz QIJZDYGNJKIIPT-SNVBAGLBSA-N 0 0 246.266 2.130 50 0 BEAARN Cc1nc(COC(=O)C[C@H](C)CC(C)C)no1 ZINC000084281369 384760299 /nfs/dbraw/zinc/76/02/99/384760299.db2.gz XJULOTKFAKWCBX-SECBINFHSA-N 0 0 240.303 2.494 50 0 BEAARN C[C@@](CO)(NCC(F)(F)F)C1CCCCC1 ZINC000071916316 384760702 /nfs/dbraw/zinc/76/07/02/384760702.db2.gz GRSQSJYUSFJGHP-JTQLQIEISA-N 0 0 239.281 2.470 50 0 BEAARN c1cc(-c2nc(-c3cnccn3)no2)cs1 ZINC000084511694 384761550 /nfs/dbraw/zinc/76/15/50/384761550.db2.gz HPTGESIDHUYIOC-UHFFFAOYSA-N 0 0 230.252 2.255 50 0 BEAARN C[C@H](C(=O)Nc1cnns1)c1ccccc1 ZINC000188199055 384835654 /nfs/dbraw/zinc/83/56/54/384835654.db2.gz FRKLKVCXYQEUNO-QMMMGPOBSA-N 0 0 233.296 2.280 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000023039764 384783574 /nfs/dbraw/zinc/78/35/74/384783574.db2.gz DRXKPGOFEWGNPE-MWLCHTKSSA-N 0 0 247.294 2.442 50 0 BEAARN Cn1ccc2c1nccc2-c1cc(CO)ccn1 ZINC000072147571 384787692 /nfs/dbraw/zinc/78/76/92/384787692.db2.gz CNGPIHKQEWBHAE-UHFFFAOYSA-N 0 0 239.278 2.128 50 0 BEAARN O=c1cc(C2CCC2)ncn1Cc1nccs1 ZINC000089702652 384790829 /nfs/dbraw/zinc/79/08/29/384790829.db2.gz JAQFSLBLGNLVPE-UHFFFAOYSA-N 0 0 247.323 2.016 50 0 BEAARN FC(F)(F)c1ncc(Br)cn1 ZINC000026440925 384873297 /nfs/dbraw/zinc/87/32/97/384873297.db2.gz GIFDWXWNFKZVEI-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN Cc1nc(CNc2ccc(C)cc2F)no1 ZINC000084501451 384875530 /nfs/dbraw/zinc/87/55/30/384875530.db2.gz JRKKTRUHIWTDRY-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Cc1cc2[nH]c(CCCO)nc2c(C)c1 ZINC000026462276 384877694 /nfs/dbraw/zinc/87/76/94/384877694.db2.gz KEEHMLJDCNEJKF-UHFFFAOYSA-N 0 0 204.273 2.105 50 0 BEAARN c1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)nc1 ZINC000084610049 384883325 /nfs/dbraw/zinc/88/33/25/384883325.db2.gz AANHORXFQWBTRE-UONOGXRCSA-N 0 0 232.327 2.225 50 0 BEAARN O=Cc1cccn1CC(=O)Nc1cccc(F)c1 ZINC000072331915 384842968 /nfs/dbraw/zinc/84/29/68/384842968.db2.gz OOPOWJHMUSNIKT-UHFFFAOYSA-N 0 0 246.241 2.078 50 0 BEAARN C[C@@H](NC(=O)c1ccnc(Cl)c1)C1CC1 ZINC000025595637 384854663 /nfs/dbraw/zinc/85/46/63/384854663.db2.gz LZBXXHXEYKLSBN-SSDOTTSWSA-N 0 0 224.691 2.263 50 0 BEAARN Cc1noc(C)c1C(=O)Nc1nccs1 ZINC000003533495 384857692 /nfs/dbraw/zinc/85/76/92/384857692.db2.gz LKMYCIIGGDYGKC-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN c1csc(CNCc2ccccc2)n1 ZINC000054954911 384860654 /nfs/dbraw/zinc/86/06/54/384860654.db2.gz UFWSEPMUQJPVBS-UHFFFAOYSA-N 0 0 204.298 2.433 50 0 BEAARN Cc1cc(CN2CCC[C@@H]2c2cnn(C)c2)on1 ZINC000072255076 384862331 /nfs/dbraw/zinc/86/23/31/384862331.db2.gz LQXPGNUMVZHOED-CYBMUJFWSA-N 0 0 246.314 2.054 50 0 BEAARN Cc1ncoc1CNC(=O)Nc1cccc(C)n1 ZINC000583651978 384862844 /nfs/dbraw/zinc/86/28/44/384862844.db2.gz XJWYZMFVCUHIJL-UHFFFAOYSA-N 0 0 246.270 2.008 50 0 BEAARN c1ccc2nc(NC[C@H]3CCCO3)cnc2c1 ZINC000026134675 384865601 /nfs/dbraw/zinc/86/56/01/384865601.db2.gz DOJZWRZMQRRICS-SNVBAGLBSA-N 0 0 229.283 2.221 50 0 BEAARN O=C1CC[C@@H](c2cccc(Cl)c2)CN1 ZINC000057496066 384949465 /nfs/dbraw/zinc/94/94/65/384949465.db2.gz HKDUFNVHBJHPCF-SECBINFHSA-N 0 0 209.676 2.334 50 0 BEAARN O=C1C[C@H](c2c(F)cccc2Cl)CN1 ZINC000057496927 384950772 /nfs/dbraw/zinc/95/07/72/384950772.db2.gz BEYHRDFBLQUXIG-LURJTMIESA-N 0 0 213.639 2.083 50 0 BEAARN CCCc1c(N)cnn1-c1ccccc1 ZINC000085634231 384958319 /nfs/dbraw/zinc/95/83/19/384958319.db2.gz GKLDCVFCFGGHPA-UHFFFAOYSA-N 0 0 201.273 2.407 50 0 BEAARN O=C(OCc1ccccc1)N1C[C@@H](F)[C@H](F)C1 ZINC000085210724 384927347 /nfs/dbraw/zinc/92/73/47/384927347.db2.gz NCRXQCGIQTUUJZ-GHMZBOCLSA-N 0 0 241.237 2.315 50 0 BEAARN Cn1nnnc1SC/C=C\c1ccccc1 ZINC000096462763 384940831 /nfs/dbraw/zinc/94/08/31/384940831.db2.gz NKRQCGRONKYCME-YVMONPNESA-N 0 0 232.312 2.016 50 0 BEAARN COC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N ZINC000057352361 384942653 /nfs/dbraw/zinc/94/26/53/384942653.db2.gz MGDXJKQIBFJHQI-UHFFFAOYSA-N 0 0 234.230 2.190 50 0 BEAARN Cc1ccc(C)c2sc(N3CC(O)C3)nc21 ZINC000085436313 384945015 /nfs/dbraw/zinc/94/50/15/384945015.db2.gz XGNSQUFSFJXBLS-UHFFFAOYSA-N 0 0 234.324 2.094 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1cccc(Cl)c1 ZINC000018177920 384969325 /nfs/dbraw/zinc/96/93/25/384969325.db2.gz HSNAMDNCUGKZRX-MRVPVSSYSA-N 0 0 242.706 2.496 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000018177924 384969981 /nfs/dbraw/zinc/96/99/81/384969981.db2.gz UPJZPOIEXWJJKZ-SNVBAGLBSA-N 0 0 222.288 2.151 50 0 BEAARN CC/C=C(/C)C(=O)N(C)Cc1ccncc1 ZINC000058014301 384978712 /nfs/dbraw/zinc/97/87/12/384978712.db2.gz GZKLIYMMCBCEGY-WZUFQYTHSA-N 0 0 218.300 2.396 50 0 BEAARN CSCC(=O)N[C@H](C)c1cccs1 ZINC000043545124 384983212 /nfs/dbraw/zinc/98/32/12/384983212.db2.gz GOUSDQDHAXUCAE-SSDOTTSWSA-N 0 0 215.343 2.288 50 0 BEAARN CSCC(=O)N[C@@H](C)c1cccs1 ZINC000043545123 384983871 /nfs/dbraw/zinc/98/38/71/384983871.db2.gz GOUSDQDHAXUCAE-ZETCQYMHSA-N 0 0 215.343 2.288 50 0 BEAARN FC(F)(F)c1ccccc1Cn1ccnn1 ZINC000128057639 384985840 /nfs/dbraw/zinc/98/58/40/384985840.db2.gz PFYFNFGDQKJBEO-UHFFFAOYSA-N 0 0 227.189 2.345 50 0 BEAARN CCCCNC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000002811968 384990684 /nfs/dbraw/zinc/99/06/84/384990684.db2.gz SGVTYGFNJXDUOE-PHIMTYICSA-N 0 0 212.337 2.474 50 0 BEAARN Cc1ccc(C)c(OCCCn2ccnn2)c1 ZINC000128072238 384990963 /nfs/dbraw/zinc/99/09/63/384990963.db2.gz LSTDKVYSAMQFFL-UHFFFAOYSA-N 0 0 231.299 2.364 50 0 BEAARN COC[C@H](C)NC(=O)Nc1ccccc1Cl ZINC000058247427 384993467 /nfs/dbraw/zinc/99/34/67/384993467.db2.gz YEDHCKIBGXOUQW-QMMMGPOBSA-N 0 0 242.706 2.496 50 0 BEAARN CC(=O)Nc1cc(-c2sccc2C)[nH]n1 ZINC000058263951 384993644 /nfs/dbraw/zinc/99/36/44/384993644.db2.gz WGZTVBURVBSQOG-UHFFFAOYSA-N 0 0 221.285 2.405 50 0 BEAARN CC(C)(C)C(=O)N1CC(Oc2ccccc2)C1 ZINC000058324878 384995059 /nfs/dbraw/zinc/99/50/59/384995059.db2.gz UJWXUUCUXRSZSM-UHFFFAOYSA-N 0 0 233.311 2.322 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)C2CCOCC2)o1 ZINC000058307971 384995946 /nfs/dbraw/zinc/99/59/46/384995946.db2.gz LSORNTDNKSDCAB-JTQLQIEISA-N 0 0 237.299 2.192 50 0 BEAARN COC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000058365043 384998485 /nfs/dbraw/zinc/99/84/85/384998485.db2.gz HXSDGXAMUPIVHZ-RTXFEEFZSA-N 0 0 233.311 2.146 50 0 BEAARN Cc1oc(C)c(C(=O)Nc2ccc[nH]c2=O)c1C ZINC000058357671 384999356 /nfs/dbraw/zinc/99/93/56/384999356.db2.gz QNLRRGJJYWWXBX-UHFFFAOYSA-N 0 0 246.266 2.145 50 0 BEAARN CCO[C@H](C)C(=O)NCc1ccc(C)s1 ZINC000058424139 385002409 /nfs/dbraw/zinc/00/24/09/385002409.db2.gz DCHXWPRWXGEPSM-SECBINFHSA-N 0 0 227.329 2.098 50 0 BEAARN CCSc1nnc(N2CCCC2)n1C1CC1 ZINC000058530696 385015197 /nfs/dbraw/zinc/01/51/97/385015197.db2.gz ZQBFJDAKVKXABS-UHFFFAOYSA-N 0 0 238.360 2.325 50 0 BEAARN CCONC(=O)c1cccn1Cc1ccccc1 ZINC000058637144 385017880 /nfs/dbraw/zinc/01/78/80/385017880.db2.gz GOYMCJSKWPQSRG-UHFFFAOYSA-N 0 0 244.294 2.218 50 0 BEAARN C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1cccs1 ZINC000028428739 384962721 /nfs/dbraw/zinc/96/27/21/384962721.db2.gz BVERBSAYYGAHSN-NXEZZACHSA-N 0 0 249.339 2.383 50 0 BEAARN C[C@H](C(=O)N[C@@H](C)c1cccs1)n1cccn1 ZINC000028428744 384963051 /nfs/dbraw/zinc/96/30/51/384963051.db2.gz BVERBSAYYGAHSN-VHSXEESVSA-N 0 0 249.339 2.383 50 0 BEAARN C[C@@H](NC(=O)[C@H](C)n1cccn1)c1cccs1 ZINC000028428749 384963939 /nfs/dbraw/zinc/96/39/39/384963939.db2.gz BVERBSAYYGAHSN-ZJUUUORDSA-N 0 0 249.339 2.383 50 0 BEAARN CC(=O)CSc1ncnc2ccccc21 ZINC000005383016 385061100 /nfs/dbraw/zinc/06/11/00/385061100.db2.gz YBENZRYYRGWNEU-UHFFFAOYSA-N 0 0 218.281 2.311 50 0 BEAARN COC(=O)c1cc(Br)cc(C)c1O ZINC000060071301 385066257 /nfs/dbraw/zinc/06/62/57/385066257.db2.gz BCJLJIDFGYFESV-UHFFFAOYSA-N 0 0 245.072 2.250 50 0 BEAARN CC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000030835650 385028740 /nfs/dbraw/zinc/02/87/40/385028740.db2.gz ILFOVOGNBJSZLG-CYBMUJFWSA-N 0 0 235.283 2.203 50 0 BEAARN COC(=O)c1cc2c(ccc3[nH]ccc32)[nH]1 ZINC000164839576 385044828 /nfs/dbraw/zinc/04/48/28/385044828.db2.gz DDGBJUKSOPLFSD-UHFFFAOYSA-N 0 0 214.224 2.436 50 0 BEAARN FC(F)(F)c1cccnc1Sc1cn[nH]n1 ZINC000005728859 385046557 /nfs/dbraw/zinc/04/65/57/385046557.db2.gz IRXKILDAEFIDCF-UHFFFAOYSA-N 0 0 246.217 2.370 50 0 BEAARN O=Cc1ccc(OCC2CC2)c(Cl)n1 ZINC000585672525 385133706 /nfs/dbraw/zinc/13/37/06/385133706.db2.gz UVOJTQVQYYLMPG-UHFFFAOYSA-N 0 0 211.648 2.336 50 0 BEAARN Clc1ncn(CCc2ccccc2)n1 ZINC000061714987 385134172 /nfs/dbraw/zinc/13/41/72/385134172.db2.gz SHVZMGLZMNHXMW-UHFFFAOYSA-N 0 0 207.664 2.174 50 0 BEAARN Cc1ccc(C[C@@H](C)NC(=O)NC2CC2)s1 ZINC000096415124 385137741 /nfs/dbraw/zinc/13/77/41/385137741.db2.gz NHFTXLAYEQKUJF-MRVPVSSYSA-N 0 0 238.356 2.449 50 0 BEAARN Cc1nnc(CN2c3ccccc3CC2(C)C)[nH]1 ZINC000585123563 385089384 /nfs/dbraw/zinc/08/93/84/385089384.db2.gz ZZQOAOAQLXHEMA-UHFFFAOYSA-N 0 0 242.326 2.454 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2cc(C)on2)o1 ZINC000048278725 385096337 /nfs/dbraw/zinc/09/63/37/385096337.db2.gz IZPNRBBBLQGVBD-SECBINFHSA-N 0 0 234.255 2.375 50 0 BEAARN O=c1[nH]c2ccccc2nc1/C=C\c1ccccn1 ZINC000108883706 385102934 /nfs/dbraw/zinc/10/29/34/385102934.db2.gz YKUZPPLSIAFQNK-HJWRWDBZSA-N 0 0 249.273 2.489 50 0 BEAARN COc1ncccc1C(=O)N1CCCC[C@@H]1C ZINC000032759729 385185192 /nfs/dbraw/zinc/18/51/92/385185192.db2.gz YAVCBVZMLWMBPQ-JTQLQIEISA-N 0 0 234.299 2.105 50 0 BEAARN C[C@@H](CC(F)(F)F)Nc1cnn(C)c1 ZINC000157343135 385150450 /nfs/dbraw/zinc/15/04/50/385150450.db2.gz PBVDKOOEYOAIJK-LURJTMIESA-N 0 0 207.199 2.173 50 0 BEAARN COC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000062152072 385162958 /nfs/dbraw/zinc/16/29/58/385162958.db2.gz JXHXPGXYHFEPBQ-UHFFFAOYSA-N 0 0 234.173 2.414 50 0 BEAARN CCc1cc(NC(=O)c2ccoc2)nc(C)n1 ZINC000096425625 385165029 /nfs/dbraw/zinc/16/50/29/385165029.db2.gz RRSDNNBPHTZXQH-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CC(C)[C@](C)(O)CNC(=O)/C=C/c1ccccc1 ZINC000096441125 385167182 /nfs/dbraw/zinc/16/71/82/385167182.db2.gz QSRGEKPTMAIQEZ-BOLDSZDNSA-N 0 0 247.338 2.223 50 0 BEAARN C[C@@H](S[C@@H](C)CO)c1nc(C2CC2)no1 ZINC000096430372 385167427 /nfs/dbraw/zinc/16/74/27/385167427.db2.gz ZWRLOUUJVWGEAB-NKWVEPMBSA-N 0 0 228.317 2.122 50 0 BEAARN CC(C)[C@@](C)(O)CNC(=O)/C=C\c1ccccc1 ZINC000096441126 385168277 /nfs/dbraw/zinc/16/82/77/385168277.db2.gz QSRGEKPTMAIQEZ-KVPUOBJLSA-N 0 0 247.338 2.223 50 0 BEAARN C[C@@H](O)CCN(C)C(=O)Nc1cccc(F)c1 ZINC000096441333 385168493 /nfs/dbraw/zinc/16/84/93/385168493.db2.gz VRGIHIQLSMLRMZ-SECBINFHSA-N 0 0 240.278 2.060 50 0 BEAARN C[C@@H](CO)SCc1ccnc(Cl)c1 ZINC000096430348 385168782 /nfs/dbraw/zinc/16/87/82/385168782.db2.gz FLDIBZLRXYYCCV-ZETCQYMHSA-N 0 0 217.721 2.349 50 0 BEAARN Cc1c(C(=O)OCc2ccsc2)cnn1C ZINC000096442691 385170748 /nfs/dbraw/zinc/17/07/48/385170748.db2.gz LBTAEWUWTJVUQA-UHFFFAOYSA-N 0 0 236.296 2.147 50 0 BEAARN Cc1nc(COC(=O)[C@H]2C[C@H]2C)sc1C ZINC000096442727 385170944 /nfs/dbraw/zinc/17/09/44/385170944.db2.gz QJBXIPPMUWFIFT-MUWHJKNJSA-N 0 0 225.313 2.459 50 0 BEAARN C[C@@H]1Oc2ccc(C(F)(F)F)cc2NC1=O ZINC000062530099 385175233 /nfs/dbraw/zinc/17/52/33/385175233.db2.gz WZIHGKCKNMYGFV-YFKPBYRVSA-N 0 0 231.173 2.425 50 0 BEAARN NCc1nc2cc(Br)ccc2o1 ZINC000062529370 385175446 /nfs/dbraw/zinc/17/54/46/385175446.db2.gz QIOQELBEBGKRQF-UHFFFAOYSA-N 0 0 227.061 2.049 50 0 BEAARN Nc1n[nH]c(-c2ccc(Cl)cc2)c1F ZINC000063110809 385207979 /nfs/dbraw/zinc/20/79/79/385207979.db2.gz QZGGUPMSYHHJSN-UHFFFAOYSA-N 0 0 211.627 2.451 50 0 BEAARN CC(C)=CC(=O)N[C@H](c1nccc(C)n1)C1CC1 ZINC000096487321 385223675 /nfs/dbraw/zinc/22/36/75/385223675.db2.gz KOKIHSRDTBFQQE-ZDUSSCGKSA-N 0 0 245.326 2.319 50 0 BEAARN CC(C)=CC(=O)N[C@@H](c1nccc(C)n1)C1CC1 ZINC000096487320 385225266 /nfs/dbraw/zinc/22/52/66/385225266.db2.gz KOKIHSRDTBFQQE-CYBMUJFWSA-N 0 0 245.326 2.319 50 0 BEAARN O=C(/C=C\c1ccco1)O[C@@H]1CCCCC1=O ZINC000096488102 385225448 /nfs/dbraw/zinc/22/54/48/385225448.db2.gz CQOVNZAPAGORCD-QDZRJHCZSA-N 0 0 234.251 2.348 50 0 BEAARN C[C@H](N[C@@H](C)c1c(F)cccc1Cl)C(N)=O ZINC000096492349 385230438 /nfs/dbraw/zinc/23/04/38/385230438.db2.gz FJKYFTDBGHQDKQ-BQBZGAKWSA-N 0 0 244.697 2.004 50 0 BEAARN COC(=O)[C@@H](CC(C)(C)C)Sc1ncc[nH]1 ZINC000096500989 385237035 /nfs/dbraw/zinc/23/70/35/385237035.db2.gz BBFPGKPQEAKXGE-MRVPVSSYSA-N 0 0 242.344 2.480 50 0 BEAARN Cc1cc(-c2ccc3c(c2)OCCO3)cnc1N ZINC000065396048 385303339 /nfs/dbraw/zinc/30/33/39/385303339.db2.gz WNYJEZCCYZXHFE-UHFFFAOYSA-N 0 0 242.278 2.410 50 0 BEAARN CC(C)n1cnnc1CN(C)Cc1ccoc1 ZINC000065373035 385304588 /nfs/dbraw/zinc/30/45/88/385304588.db2.gz UAZDBOXAWNAFDH-UHFFFAOYSA-N 0 0 234.303 2.084 50 0 BEAARN c1sc(-c2n[nH]c(C3CC3)n2)c2c1OCCO2 ZINC000065397640 385306696 /nfs/dbraw/zinc/30/66/96/385306696.db2.gz RMMWAMIUDCZSEM-UHFFFAOYSA-N 0 0 249.295 2.182 50 0 BEAARN CCCCCn1c(=O)[nH]nc1C1CCC1 ZINC000065410018 385307198 /nfs/dbraw/zinc/30/71/98/385307198.db2.gz QVLHNLCZCNZRQK-UHFFFAOYSA-N 0 0 209.293 2.029 50 0 BEAARN c1nc(-c2ccc(-n3cnnc3)cc2)cs1 ZINC000065457468 385311872 /nfs/dbraw/zinc/31/18/72/385311872.db2.gz YRJUAGYPBRZBEF-UHFFFAOYSA-N 0 0 228.280 2.391 50 0 BEAARN Cc1cc(C)n([C@@H](C)c2n[nH]c(CC(C)C)n2)n1 ZINC000065464464 385313618 /nfs/dbraw/zinc/31/36/18/385313618.db2.gz XLCKOJMJHXSLDF-NSHDSACASA-N 0 0 247.346 2.426 50 0 BEAARN CCOc1ncccc1-c1c[nH]c(C)n1 ZINC000065466622 385315212 /nfs/dbraw/zinc/31/52/12/385315212.db2.gz FTWKNTQEOFZERT-UHFFFAOYSA-N 0 0 203.245 2.179 50 0 BEAARN CO[C@@H]1C[C@H](N(C)c2ccnc(C)n2)C12CCC2 ZINC000408519645 385316733 /nfs/dbraw/zinc/31/67/33/385316733.db2.gz KURTXKKMECYRON-NWDGAFQWSA-N 0 0 247.342 2.179 50 0 BEAARN CC(=O)c1ccncc1Br ZINC000034156168 385272906 /nfs/dbraw/zinc/27/29/06/385272906.db2.gz JCSJIVMVXJQSDE-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN Cc1ccc(C(=O)Nc2ccncc2)o1 ZINC000000474715 385282462 /nfs/dbraw/zinc/28/24/62/385282462.db2.gz XDISZVLSBCXHSU-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CCCc1n[nH]c(=O)n1-c1ccccc1SC ZINC000065365970 385301090 /nfs/dbraw/zinc/30/10/90/385301090.db2.gz YKWOLGCQUHFZNR-UHFFFAOYSA-N 0 0 249.339 2.235 50 0 BEAARN O=C(c1cccc(O)c1)N1CCC=C(F)C1 ZINC000273054271 385336456 /nfs/dbraw/zinc/33/64/56/385336456.db2.gz XDJUUGYVGQIYSE-UHFFFAOYSA-N 0 0 221.231 2.092 50 0 BEAARN CCc1cc2c([nH]c(CSC)nc2=O)s1 ZINC000098009496 385349218 /nfs/dbraw/zinc/34/92/18/385349218.db2.gz WQMOWJYDIULBGD-UHFFFAOYSA-N 0 0 240.353 2.410 50 0 BEAARN CC[C@@H](NC(N)=O)c1ccc(F)cc1F ZINC000154836619 385359384 /nfs/dbraw/zinc/35/93/84/385359384.db2.gz IQTSJCCXQCBGGZ-SECBINFHSA-N 0 0 214.215 2.084 50 0 BEAARN O=Cc1ccncc1N1CCCC(F)(F)C1 ZINC000169725590 385418576 /nfs/dbraw/zinc/41/85/76/385418576.db2.gz GAICQUDWQWMDKS-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN Fc1cccc(N2CCCC(F)(F)C2)n1 ZINC000169725397 385418597 /nfs/dbraw/zinc/41/85/97/385418597.db2.gz BDTDYXLLMYXBKB-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN C[Si](C)(C)c1cccnc1OCC1CC1 ZINC000169794048 385420681 /nfs/dbraw/zinc/42/06/81/385420681.db2.gz SWMZBIJARDLLKV-UHFFFAOYSA-N 0 0 221.376 2.416 50 0 BEAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000013946754 385421099 /nfs/dbraw/zinc/42/10/99/385421099.db2.gz VHICNJZEOATMEJ-UHFFFAOYSA-N 0 0 239.340 2.088 50 0 BEAARN COC(=O)c1sc(-c2ccccn2)nc1C ZINC000005010980 385454974 /nfs/dbraw/zinc/45/49/74/385454974.db2.gz FTBPGHRUVOLRMJ-UHFFFAOYSA-N 0 0 234.280 2.300 50 0 BEAARN Cc1cc(O)ccc1NC(=O)Nc1ccon1 ZINC000170588476 385432202 /nfs/dbraw/zinc/43/22/02/385432202.db2.gz PGSAPBPQBHQCMC-UHFFFAOYSA-N 0 0 233.227 2.333 50 0 BEAARN CCN(C(=O)c1ccn(C)n1)c1ccccc1C ZINC000584906657 385460623 /nfs/dbraw/zinc/46/06/23/385460623.db2.gz MSOBBBRNXLMWQW-UHFFFAOYSA-N 0 0 243.310 2.395 50 0 BEAARN C[C@@H](NC(=O)c1ccc(=O)oc1)c1ccccc1 ZINC000000550150 385495386 /nfs/dbraw/zinc/49/53/86/385495386.db2.gz QUTXSERKGMGPSH-SNVBAGLBSA-N 0 0 243.262 2.131 50 0 BEAARN O=C([O-])C1CC[NH+](CCc2ccccc2)CC1 ZINC000019787906 385513846 /nfs/dbraw/zinc/51/38/46/385513846.db2.gz YJZWAIODVQBJME-UHFFFAOYSA-N 0 0 233.311 2.026 50 0 BEAARN Cc1cc(C(C)(C)C)ccc1OCC(N)=O ZINC000003183785 385522102 /nfs/dbraw/zinc/52/21/02/385522102.db2.gz MCUAKQXVLAQRNY-UHFFFAOYSA-N 0 0 221.300 2.157 50 0 BEAARN O=C(N[C@H]1CCC(=O)C1)OCc1ccccc1 ZINC000107268617 385558690 /nfs/dbraw/zinc/55/86/90/385558690.db2.gz KCMRCKOQBAJKAG-NSHDSACASA-N 0 0 233.267 2.034 50 0 BEAARN c1cnc(N[C@H]2CCOc3ccccc32)nc1 ZINC000052076654 385642760 /nfs/dbraw/zinc/64/27/60/385642760.db2.gz IKPJGKJNSRHHTE-NSHDSACASA-N 0 0 227.267 2.412 50 0 BEAARN CCc1ccccc1NC(=O)c1cnsn1 ZINC000000935405 385646535 /nfs/dbraw/zinc/64/65/35/385646535.db2.gz MLFZWDSDNYBJMW-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN CCCCNC(=O)c1cc(CC(C)C)on1 ZINC000002498094 385661882 /nfs/dbraw/zinc/66/18/82/385661882.db2.gz ZYTPBWQYNMIPRB-UHFFFAOYSA-N 0 0 224.304 2.403 50 0 BEAARN Cc1ccc(C)c(C(=O)N(C)C[C@@H]2CCOC2)c1 ZINC000177241698 385674496 /nfs/dbraw/zinc/67/44/96/385674496.db2.gz XMCQOKQMFSWKNG-ZDUSSCGKSA-N 0 0 247.338 2.412 50 0 BEAARN COC[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000056921942 385681834 /nfs/dbraw/zinc/68/18/34/385681834.db2.gz VOKFEZJZLUJWLQ-ZDUSSCGKSA-N 0 0 247.338 2.494 50 0 BEAARN C[C@H](O)CCn1cnc2cc(F)c(F)cc21 ZINC000128975879 385698933 /nfs/dbraw/zinc/69/89/33/385698933.db2.gz CTZCZFZVCICBFB-ZETCQYMHSA-N 0 0 226.226 2.085 50 0 BEAARN Cc1ccc(OCCO)cc1Br ZINC000307570129 385705628 /nfs/dbraw/zinc/70/56/28/385705628.db2.gz YVMCKJFVMOZWIG-UHFFFAOYSA-N 0 0 231.089 2.129 50 0 BEAARN C[C@H](NCC(N)=O)c1ccc(Cl)cc1Cl ZINC000015447485 385732178 /nfs/dbraw/zinc/73/21/78/385732178.db2.gz ISHPXUDOHITYNA-LURJTMIESA-N 0 0 247.125 2.129 50 0 BEAARN CSc1cc(C(=O)N2CCC2)ccc1F ZINC000270800137 385746739 /nfs/dbraw/zinc/74/67/39/385746739.db2.gz ADERDFMMXPVEOF-UHFFFAOYSA-N 0 0 225.288 2.394 50 0 BEAARN CCOc1ccc(Br)c(F)n1 ZINC000261493480 385815362 /nfs/dbraw/zinc/81/53/62/385815362.db2.gz BXVUFWOHVLZNQD-UHFFFAOYSA-N 0 0 220.041 2.382 50 0 BEAARN Cc1nsc(N2CCS[C@@H](C)[C@@H]2C)n1 ZINC000089721402 385822633 /nfs/dbraw/zinc/82/26/33/385822633.db2.gz FHJNIVHTYXBYPP-BQBZGAKWSA-N 0 0 229.374 2.177 50 0 BEAARN O=C(CC1CCC1)N1CCC[C@@H]1C(F)F ZINC000335001874 385887791 /nfs/dbraw/zinc/88/77/91/385887791.db2.gz QHQXXOWPYYPUNC-SECBINFHSA-N 0 0 217.259 2.433 50 0 BEAARN Cc1ccc(OCC(=O)N2CCCC2)cc1C ZINC000000780051 385893779 /nfs/dbraw/zinc/89/37/79/385893779.db2.gz DZPLHRJSSNLLMN-UHFFFAOYSA-N 0 0 233.311 2.305 50 0 BEAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)c(C)c1 ZINC000007308624 385901331 /nfs/dbraw/zinc/90/13/31/385901331.db2.gz KPFFYLQEIWKGHQ-UHFFFAOYSA-N 0 0 241.356 2.380 50 0 BEAARN c1cnc2c(c1)N[C@H](c1ccc3c(c1)OCO3)N2 ZINC000001237157 385995142 /nfs/dbraw/zinc/99/51/42/385995142.db2.gz GSKFJRQCTMNMBE-LBPRGKRZSA-N 0 0 241.250 2.347 50 0 BEAARN C/C=C\CCNC(=O)N(CC(C)(C)O)C(C)C ZINC000221676171 386014926 /nfs/dbraw/zinc/01/49/26/386014926.db2.gz YNBCWEFSAIUBBH-SREVYHEPSA-N 0 0 242.363 2.144 50 0 BEAARN O=C(/C=C\c1ccco1)NCc1ccccn1 ZINC000033858724 386059277 /nfs/dbraw/zinc/05/92/77/386059277.db2.gz RHVPYGDUORFUQO-SREVYHEPSA-N 0 0 228.251 2.004 50 0 BEAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)C1CCC1 ZINC000223381386 386084074 /nfs/dbraw/zinc/08/40/74/386084074.db2.gz YTUALAAVPHTOKL-UHFFFAOYSA-N 0 0 249.358 2.218 50 0 BEAARN CC(=O)Nc1c(F)cc(C(C)=O)cc1F ZINC000334470758 386144454 /nfs/dbraw/zinc/14/44/54/386144454.db2.gz ILEWGPIUYALEDT-UHFFFAOYSA-N 0 0 213.183 2.126 50 0 BEAARN Cc1nnc(NC(=O)c2ccccc2F)s1 ZINC000000366757 386150077 /nfs/dbraw/zinc/15/00/77/386150077.db2.gz VOCGBNQZWSARTO-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN Nc1cc(F)c(F)c(OC(F)(F)F)c1 ZINC000263623921 386157180 /nfs/dbraw/zinc/15/71/80/386157180.db2.gz LVLNBMAWYXPSCX-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN Nc1cc(OC(F)(F)F)cc(F)c1F ZINC000263623770 386157725 /nfs/dbraw/zinc/15/77/25/386157725.db2.gz KOWORKDIAQEAKL-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN Cc1nnc(COc2ccc(F)cc2C)o1 ZINC000163319000 386158253 /nfs/dbraw/zinc/15/82/53/386158253.db2.gz GEVJWNNFWWKECB-UHFFFAOYSA-N 0 0 222.219 2.405 50 0 BEAARN CCCCCCN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000225232182 386178134 /nfs/dbraw/zinc/17/81/34/386178134.db2.gz JLWBFAJMRNRYPI-HUBLWGQQSA-N 0 0 231.405 2.408 50 0 BEAARN Cc1ocnc1-c1noc([C@H]2C[C@H]2C)n1 ZINC000225555998 386202802 /nfs/dbraw/zinc/20/28/02/386202802.db2.gz RHVREJFJHRFFHL-VDTYLAMSSA-N 0 0 205.217 2.156 50 0 BEAARN CCc1ccc(NC(=O)N2CC(O)(CC)C2)cc1 ZINC000225712318 386212408 /nfs/dbraw/zinc/21/24/08/386212408.db2.gz DAPPBLKQVYJLKX-UHFFFAOYSA-N 0 0 248.326 2.238 50 0 BEAARN CSCCONC(=O)c1sccc1C ZINC000225436221 386193236 /nfs/dbraw/zinc/19/32/36/386193236.db2.gz OCABNXDTNZUXSL-UHFFFAOYSA-N 0 0 231.342 2.081 50 0 BEAARN Cc1ccsc1C(=O)Nc1cnns1 ZINC000225495389 386198782 /nfs/dbraw/zinc/19/87/82/386198782.db2.gz ZOEDWLWXIVPZCN-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN COC[C@@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC000044896903 386281726 /nfs/dbraw/zinc/28/17/26/386281726.db2.gz SGCAVNPOHXANHU-LLVKDONJSA-N 0 0 235.327 2.115 50 0 BEAARN COCc1cc(CNc2ccc(C)nc2C)no1 ZINC000297585798 386265970 /nfs/dbraw/zinc/26/59/70/386265970.db2.gz IUSYNTMRSCVKGG-UHFFFAOYSA-N 0 0 247.298 2.445 50 0 BEAARN COC[C@H](C)OC(=O)c1ccc(C)s1 ZINC000073836497 386349941 /nfs/dbraw/zinc/34/99/41/386349941.db2.gz RJTFYGOXCIADQL-ZETCQYMHSA-N 0 0 214.286 2.248 50 0 BEAARN C[C@H]1C[C@H](NC(=O)CC(C)(F)F)CS1 ZINC000335268510 386350746 /nfs/dbraw/zinc/35/07/46/386350746.db2.gz UEAPVCMEEPNAOO-BQBZGAKWSA-N 0 0 223.288 2.042 50 0 BEAARN O=C(c1ccc(Br)cc1)N1CCC1 ZINC000060632882 386421893 /nfs/dbraw/zinc/42/18/93/386421893.db2.gz DZQKIBIXQBMKRW-UHFFFAOYSA-N 0 0 240.100 2.295 50 0 BEAARN Cc1noc(C)c1NC(=O)CC(C)(F)F ZINC000277252679 386422856 /nfs/dbraw/zinc/42/28/56/386422856.db2.gz VXEUPSWKKDHZAJ-UHFFFAOYSA-N 0 0 218.203 2.275 50 0 BEAARN CS[C@H]1CCN(C(=O)NC2CCCC2)C1 ZINC000335663166 386436664 /nfs/dbraw/zinc/43/66/64/386436664.db2.gz UATSZMPWRFPOPJ-JTQLQIEISA-N 0 0 228.361 2.076 50 0 BEAARN COC(C)(C)CC(=O)Nc1cnccc1C ZINC000278196549 386501002 /nfs/dbraw/zinc/50/10/02/386501002.db2.gz CQEWSPGZGLXEAG-UHFFFAOYSA-N 0 0 222.288 2.144 50 0 BEAARN CN(Cc1cccnc1)C(=O)NCC1CCCC1 ZINC000049069579 386594949 /nfs/dbraw/zinc/59/49/49/386594949.db2.gz PVEKBYUPXUSMKA-UHFFFAOYSA-N 0 0 247.342 2.413 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)n2ccnc2)[C@H]1C ZINC000238855843 386537237 /nfs/dbraw/zinc/53/72/37/386537237.db2.gz SYZSJULANIBEEQ-OUAUKWLOSA-N 0 0 221.304 2.266 50 0 BEAARN COC(=O)[C@H](O)CCCC1CCCCC1 ZINC000238856821 386537677 /nfs/dbraw/zinc/53/76/77/386537677.db2.gz XFGFXUJTPZFFGV-LLVKDONJSA-N 0 0 214.305 2.271 50 0 BEAARN CNc1c(N)cc(F)cc1Br ZINC000242574890 386545294 /nfs/dbraw/zinc/54/52/94/386545294.db2.gz NIBNTZGAFCXNET-UHFFFAOYSA-N 0 0 219.057 2.212 50 0 BEAARN Cc1cc(CN2CCOc3ccccc3C2)on1 ZINC000242147513 386546656 /nfs/dbraw/zinc/54/66/56/386546656.db2.gz WSISJIJUTBBPMO-UHFFFAOYSA-N 0 0 244.294 2.378 50 0 BEAARN Nc1nc2ccc(F)c(Br)c2o1 ZINC000228902511 386638932 /nfs/dbraw/zinc/63/89/32/386638932.db2.gz HDCUAUAZLJDLHV-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN CC(C)COc1ccc(CO)nc1Cl ZINC000585672526 386696477 /nfs/dbraw/zinc/69/64/77/386696477.db2.gz UYDFCIVIXHQIJG-UHFFFAOYSA-N 0 0 215.680 2.262 50 0 BEAARN CCOc1ccc(C2N3CCCN23)cc1 ZINC000019171105 386744785 /nfs/dbraw/zinc/74/47/85/386744785.db2.gz AYQMBALOZJJPKE-UHFFFAOYSA-N 0 0 204.273 2.020 50 0 BEAARN CN(Cc1ccco1)C(=O)NCc1ccoc1 ZINC000047088532 386772742 /nfs/dbraw/zinc/77/27/42/386772742.db2.gz XZVNSMQFKHUKPI-UHFFFAOYSA-N 0 0 234.255 2.214 50 0 BEAARN O=C(NC[C@@H]1CCCC1(F)F)c1ccoc1 ZINC000334896935 386971327 /nfs/dbraw/zinc/97/13/27/386971327.db2.gz FSQLIOAKWUEGHK-VIFPVBQESA-N 0 0 229.226 2.445 50 0 BEAARN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccco1 ZINC000248825084 386994915 /nfs/dbraw/zinc/99/49/15/386994915.db2.gz KCWRIZBNBAIIQF-UHTWSYAYSA-N 0 0 249.310 2.053 50 0 BEAARN Cn1nccc1CNc1cccc(F)c1F ZINC000040230265 387032691 /nfs/dbraw/zinc/03/26/91/387032691.db2.gz NQLPRXRBIAQEBJ-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN O=C([O-])C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000001731342 387040852 /nfs/dbraw/zinc/04/08/52/387040852.db2.gz NVBIZGJYFBBRBO-UHFFFAOYSA-N 0 0 234.082 2.168 50 0 BEAARN CC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251565903 387040832 /nfs/dbraw/zinc/04/08/32/387040832.db2.gz BRZIDNQMHUVUAM-QWHCGFSZSA-N 0 0 233.311 2.229 50 0 BEAARN O=C(/C=C/c1ccncc1)NC1CCCC1 ZINC000029108348 387021403 /nfs/dbraw/zinc/02/14/03/387021403.db2.gz IQRZFVUWMHKDGJ-AATRIKPKSA-N 0 0 216.284 2.154 50 0 BEAARN O=C(c1ccc(Cl)c(Cl)n1)N1CCC1 ZINC000585661689 387076619 /nfs/dbraw/zinc/07/66/19/387076619.db2.gz HVVWIOGHMNCFFB-UHFFFAOYSA-N 0 0 231.082 2.234 50 0 BEAARN Cc1nnc(CN2CCC[C@@](C)(F)C2)s1 ZINC000336275383 387107225 /nfs/dbraw/zinc/10/72/25/387107225.db2.gz JXWMNZSDJLLFTH-SNVBAGLBSA-N 0 0 229.324 2.171 50 0 BEAARN C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000246692659 387129475 /nfs/dbraw/zinc/12/94/75/387129475.db2.gz ALXGHPFSYFYVNK-SAXRGWBVSA-N 0 0 244.338 2.498 50 0 BEAARN C[C@@H](NC(=O)[C@@H](C)C1CCC1)c1csnn1 ZINC000334016142 387145566 /nfs/dbraw/zinc/14/55/66/387145566.db2.gz ZAEGHAWBYLDEKG-JGVFFNPUSA-N 0 0 239.344 2.152 50 0 BEAARN Cc1sc2[nH]c(-c3ccon3)nc(=O)c2c1C ZINC000074797441 387151637 /nfs/dbraw/zinc/15/16/37/387151637.db2.gz BVBAWBKZHMBJDG-UHFFFAOYSA-N 0 0 247.279 2.256 50 0 BEAARN O=C1Nc2cc(Br)ccc2C12CC2 ZINC000095803775 387153339 /nfs/dbraw/zinc/15/33/39/387153339.db2.gz OQBQBDOESUSKEE-UHFFFAOYSA-N 0 0 238.084 2.433 50 0 BEAARN O=C(NC(=S)Nc1ccc(F)cc1)C1CC1 ZINC000000358906 322809488 /nfs/dbraw/zinc/80/94/88/322809488.db2.gz LCVUKJRUSSDIHZ-UHFFFAOYSA-N 0 0 238.287 2.049 50 0 BEAARN CC[C@@H](C)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000075337280 387170170 /nfs/dbraw/zinc/17/01/70/387170170.db2.gz SFXVZPNGLMSQSL-DTWKUNHWSA-N 0 0 235.331 2.063 50 0 BEAARN CC(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000089701914 387184544 /nfs/dbraw/zinc/18/45/44/387184544.db2.gz HGFUFELBTIXRHP-UHFFFAOYSA-N 0 0 227.267 2.410 50 0 BEAARN CCOCCS(=O)(=O)c1cccc(Cl)c1 ZINC000078978756 387134742 /nfs/dbraw/zinc/13/47/42/387134742.db2.gz PMZMBWCUTBDTOB-UHFFFAOYSA-N 0 0 248.731 2.150 50 0 BEAARN c1cn(-c2cc(N3CCCCCC3)ncn2)cn1 ZINC000064543367 387212982 /nfs/dbraw/zinc/21/29/82/387212982.db2.gz BAVSAMNOEYJWPH-UHFFFAOYSA-N 0 0 243.314 2.043 50 0 BEAARN CCCn1cc(CNc2cccc(CO)c2)cn1 ZINC000191943946 387232849 /nfs/dbraw/zinc/23/28/49/387232849.db2.gz QZTCBYSDZGUKPH-UHFFFAOYSA-N 0 0 245.326 2.398 50 0 BEAARN CC[C@]1(C)CN(C(=O)Nc2ccccn2)CCO1 ZINC000191023145 387263708 /nfs/dbraw/zinc/26/37/08/387263708.db2.gz LJIXJOFTDMXCNH-CYBMUJFWSA-N 0 0 249.314 2.114 50 0 BEAARN C[C@]12CC[C@](C)(CCCC1)S2(=O)=O ZINC000045027854 387273413 /nfs/dbraw/zinc/27/34/13/387273413.db2.gz SJBAUIMWJAJXOX-AOOOYVTPSA-N 0 0 202.319 2.286 50 0 BEAARN COC(=O)C[C@@H](CCC(C)=O)C(C)C ZINC000043762586 387274445 /nfs/dbraw/zinc/27/44/45/387274445.db2.gz NFZDHGBVBLVLNX-SNVBAGLBSA-N 0 0 200.278 2.191 50 0 BEAARN O=C1[C@]23C[C@]2(CCC3)C(=O)[C@]23C[C@]12CCC3 ZINC000044144003 387274638 /nfs/dbraw/zinc/27/46/38/387274638.db2.gz UWHZHKNVBKKWBB-LVEBTZEWSA-N 0 0 216.280 2.259 50 0 BEAARN O=C1[C@]23C[C@]2(CCC3)C(=O)[C@@]23C[C@@]12CCC3 ZINC000044144000 387274765 /nfs/dbraw/zinc/27/47/65/387274765.db2.gz UWHZHKNVBKKWBB-KPWCQOOUSA-N 0 0 216.280 2.259 50 0 BEAARN O=C([O-])c1ccc(C[NH+]2CCCCCC2)nc1 ZINC000094762069 387291509 /nfs/dbraw/zinc/29/15/09/387291509.db2.gz VCQFMFWHFKPXBX-UHFFFAOYSA-N 0 0 234.299 2.156 50 0 BEAARN CCSCCS(=O)(=O)c1ccccc1 ZINC000075582430 387295163 /nfs/dbraw/zinc/29/51/63/387295163.db2.gz SNXSANKVZCNJPU-UHFFFAOYSA-N 0 0 230.354 2.213 50 0 BEAARN CC(=O)N1CCC(c2ccccc2)CC1 ZINC000035588030 387374928 /nfs/dbraw/zinc/37/49/28/387374928.db2.gz DPSBGWLMCAVDNY-UHFFFAOYSA-N 0 0 203.285 2.413 50 0 BEAARN CC(=O)O[C@@H]1[C@@H]2C[C@@H]3CC[C@@H]4CS[C@@H]1[C@@H]4[C@H]23 ZINC000216343893 387325795 /nfs/dbraw/zinc/32/57/95/387325795.db2.gz BONMBFVZKGKDFQ-RWIORTIOSA-N 0 0 238.352 2.326 50 0 BEAARN Clc1cnc(S[C@H]2CCOC2)nc1 ZINC000306262825 387382711 /nfs/dbraw/zinc/38/27/11/387382711.db2.gz XXSVPNVVJZLXNS-ZETCQYMHSA-N 0 0 216.693 2.011 50 0 BEAARN CCS(=O)(=O)c1cccc(Cl)c1 ZINC000078978786 387332822 /nfs/dbraw/zinc/33/28/22/387332822.db2.gz VQCQFHGGMQHIKU-UHFFFAOYSA-N 0 0 204.678 2.134 50 0 BEAARN CC(=O)O[C@@H]1[C@@H]2C[C@@H]3CC[C@@H]4CS[C@@H]1[C@H]4[C@H]23 ZINC000253488715 387342610 /nfs/dbraw/zinc/34/26/10/387342610.db2.gz BONMBFVZKGKDFQ-UWHNJUSGSA-N 0 0 238.352 2.326 50 0 BEAARN Cc1nc(C2=C(N)N(C3CC3)CC2=O)sc1C ZINC000102727324 387347962 /nfs/dbraw/zinc/34/79/62/387347962.db2.gz FZWPUQZVXRPLGS-UHFFFAOYSA-N 0 0 249.339 2.484 50 0 BEAARN CC(=O)c1c(F)cccc1N(C)CC[C@@H](C)O ZINC000078416964 387450241 /nfs/dbraw/zinc/45/02/41/387450241.db2.gz ROPVVNSELUFZHJ-SECBINFHSA-N 0 0 239.290 2.235 50 0 BEAARN COC(=O)c1sc(C)cc1OC(F)F ZINC000079350275 387453043 /nfs/dbraw/zinc/45/30/43/387453043.db2.gz NHVAATRJDQHMEL-UHFFFAOYSA-N 0 0 222.212 2.445 50 0 BEAARN CN(CC1CCOCC1)C(=O)C1CCCCC1 ZINC000074915252 387407622 /nfs/dbraw/zinc/40/76/22/387407622.db2.gz QHZHQDWZCNCREV-UHFFFAOYSA-N 0 0 239.359 2.452 50 0 BEAARN Cc1cnc(CNc2ncccc2F)o1 ZINC000192735519 387413373 /nfs/dbraw/zinc/41/33/73/387413373.db2.gz OIQRDQPKTIPHNH-UHFFFAOYSA-N 0 0 207.208 2.129 50 0 BEAARN C[C@@]1(F)CCCN(Cc2ccc(CO)o2)C1 ZINC000296193943 387540914 /nfs/dbraw/zinc/54/09/14/387540914.db2.gz YRVIZGIXYMJZNL-GFCCVEGCSA-N 0 0 227.279 2.096 50 0 BEAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(O)cc1 ZINC000100508113 387471627 /nfs/dbraw/zinc/47/16/27/387471627.db2.gz LMOIVGIHFWMMDP-RYUDHWBXSA-N 0 0 245.278 2.072 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2ccnn2C)cc1 ZINC000002761317 387475975 /nfs/dbraw/zinc/47/59/75/387475975.db2.gz DJWCNJFRYYCWOI-NSHDSACASA-N 0 0 243.310 2.220 50 0 BEAARN C[C@@H]1CN(Cc2nc3ccccc3o2)[C@@H](C)CO1 ZINC000032804203 387491475 /nfs/dbraw/zinc/49/14/75/387491475.db2.gz CINYJUGTPIFJQO-WDEREUQCSA-N 0 0 246.310 2.437 50 0 BEAARN NCC(=O)c1ccc(F)c2ccccc12 ZINC000085391821 387492717 /nfs/dbraw/zinc/49/27/17/387492717.db2.gz ABDJSZZRAHIDSW-UHFFFAOYSA-N 0 0 203.216 2.120 50 0 BEAARN CC[C@@H](C)CNC(=O)N1CC(c2ccccn2)C1 ZINC000426633932 387582258 /nfs/dbraw/zinc/58/22/58/387582258.db2.gz NGNOBFRTAPKYNR-LLVKDONJSA-N 0 0 247.342 2.237 50 0 BEAARN C[C@@H](C(=O)N1CCC2(CCCC2)C1)n1ccnc1 ZINC000426634113 387582317 /nfs/dbraw/zinc/58/23/17/387582317.db2.gz XRQSLGXVBBHDLT-LBPRGKRZSA-N 0 0 247.342 2.237 50 0 BEAARN Cc1cc(-c2cn[nH]c2)nc(-c2cccnc2)n1 ZINC000426646960 387583547 /nfs/dbraw/zinc/58/35/47/387583547.db2.gz CJTTWTWMCWOENU-UHFFFAOYSA-N 0 0 237.266 2.237 50 0 BEAARN CC1N=NC(=O)O[C@]1(C)Cc1ccccc1 ZINC000006668610 387596666 /nfs/dbraw/zinc/59/66/66/387596666.db2.gz UOXCSMYSSVNXJD-GFCCVEGCSA-N 0 0 218.256 2.104 50 0 BEAARN Cc1ccc2cc(CO)c(-c3cn[nH]c3)nc2c1 ZINC000426370415 387561027 /nfs/dbraw/zinc/56/10/27/387561027.db2.gz ZDHXQBOXIXFBLN-UHFFFAOYSA-N 0 0 239.278 2.426 50 0 BEAARN CN(C)c1ccc(-c2n[nH]c(C(C)(C)C)n2)cn1 ZINC000426383381 387562621 /nfs/dbraw/zinc/56/26/21/387562621.db2.gz UYYKYSHDSZEVIV-UHFFFAOYSA-N 0 0 245.330 2.230 50 0 BEAARN CCn1nc(-c2ccc(F)c(C)c2)nc1N(C)C ZINC000426409303 387564835 /nfs/dbraw/zinc/56/48/35/387564835.db2.gz KFQUCMLBQYDCSK-UHFFFAOYSA-N 0 0 248.305 2.479 50 0 BEAARN CCOc1ncccc1-c1nccc(N)c1OC ZINC000426399294 387565713 /nfs/dbraw/zinc/56/57/13/387565713.db2.gz WIBUFFQVXJXXOQ-UHFFFAOYSA-N 0 0 245.282 2.133 50 0 BEAARN COc1ccc(O)c(-c2c(C)ncnc2OC)c1 ZINC000426534136 387579142 /nfs/dbraw/zinc/57/91/42/387579142.db2.gz XKHHWYNXLCICCC-UHFFFAOYSA-N 0 0 246.266 2.175 50 0 BEAARN Cc1cc(-c2cccc3c2OCC3)c(=O)[nH]n1 ZINC000426534124 387579822 /nfs/dbraw/zinc/57/98/22/387579822.db2.gz WOWPQBZVQCAWDX-UHFFFAOYSA-N 0 0 228.251 2.093 50 0 BEAARN CC/C=C(\C)C(=O)NCc1cn2ccccc2n1 ZINC000042720921 387636223 /nfs/dbraw/zinc/63/62/23/387636223.db2.gz DNTHUIYXGWNXJF-IZZDOVSWSA-N 0 0 243.310 2.307 50 0 BEAARN CN(C[C@H]1CCCOC1)c1ncccc1F ZINC000267730548 387743314 /nfs/dbraw/zinc/74/33/14/387743314.db2.gz CSTAPZRBEQWBRK-SNVBAGLBSA-N 0 0 224.279 2.084 50 0 BEAARN Cc1cc(C)cc(NC(=O)Cn2cccn2)c1 ZINC000012888395 177907304 /nfs/dbraw/zinc/90/73/04/177907304.db2.gz KMCKYGYPFPRGAO-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN c1ccn(-c2ccc3c(c2)OCCO3)c1 ZINC000006277098 387756521 /nfs/dbraw/zinc/75/65/21/387756521.db2.gz HMBOUQKESIRNCW-UHFFFAOYSA-N 0 0 201.225 2.249 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000032903798 387726556 /nfs/dbraw/zinc/72/65/56/387726556.db2.gz UFTXJUZJSOMUAQ-NXEZZACHSA-N 0 0 249.358 2.155 50 0 BEAARN CCCCCNC(=O)c1ccc(OC)nc1 ZINC000053366136 387764572 /nfs/dbraw/zinc/76/45/72/387764572.db2.gz VSXNDEAFLHLDOK-UHFFFAOYSA-N 0 0 222.288 2.010 50 0 BEAARN Cc1cc(C)nc(N(C)Cc2ccco2)n1 ZINC000032908932 387777003 /nfs/dbraw/zinc/77/70/03/387777003.db2.gz XFWMEGRJKBBTTH-UHFFFAOYSA-N 0 0 217.272 2.323 50 0 BEAARN CCc1ccc(CNC(=O)c2cnccn2)s1 ZINC000036392951 387787169 /nfs/dbraw/zinc/78/71/69/387787169.db2.gz AEDNJCMVVCVFEU-UHFFFAOYSA-N 0 0 247.323 2.031 50 0 BEAARN Cc1ccc([C@@H]2CCCN2S(C)(=O)=O)cc1 ZINC000035476413 387787203 /nfs/dbraw/zinc/78/72/03/387787203.db2.gz AFQKRAITQVQNDX-LBPRGKRZSA-N 0 0 239.340 2.092 50 0 BEAARN CCCCOC(=O)c1ccc(-n2cncn2)cc1 ZINC000001792198 387792205 /nfs/dbraw/zinc/79/22/05/387792205.db2.gz VQSXWAMYGWIXAG-UHFFFAOYSA-N 0 0 245.282 2.224 50 0 BEAARN CN(Cc1ccccc1)C(=O)C1CCOCC1 ZINC000058363720 387840110 /nfs/dbraw/zinc/84/01/10/387840110.db2.gz UFSVFSMUZQIGIE-UHFFFAOYSA-N 0 0 233.311 2.072 50 0 BEAARN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2O)cc1 ZINC000006922946 387871859 /nfs/dbraw/zinc/87/18/59/387871859.db2.gz WYQVMNNOJHPEAF-NEPJUHHUSA-N 0 0 234.299 2.030 50 0 BEAARN CCc1nccn1-c1ccc(CNC(C)=O)cc1 ZINC000065201801 387885998 /nfs/dbraw/zinc/88/59/98/387885998.db2.gz OQFJXTPNVGUVEW-UHFFFAOYSA-N 0 0 243.310 2.071 50 0 BEAARN CC[C@H](c1ccccc1)[C@H]1CNC(=O)C1 ZINC000238296069 387932685 /nfs/dbraw/zinc/93/26/85/387932685.db2.gz RJQXMTQXSQXQNP-VXGBXAGGSA-N 0 0 203.285 2.316 50 0 BEAARN Cc1cc(C(=O)Nc2cccc(F)c2)n[nH]1 ZINC000054347296 177818058 /nfs/dbraw/zinc/81/80/58/177818058.db2.gz BJUUHYCNJKKXBA-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)cs1 ZINC000001055870 177811171 /nfs/dbraw/zinc/81/11/71/177811171.db2.gz ZKNSBSDCIZSLCO-MWLCHTKSSA-N 0 0 239.340 2.354 50 0 BEAARN Cc1noc(CN2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000065549889 387978323 /nfs/dbraw/zinc/97/83/23/387978323.db2.gz VXENOVPWFXCUJY-MRVPVSSYSA-N 0 0 249.236 2.152 50 0 BEAARN CNc1nnc(SCc2cc(C)no2)s1 ZINC000036879928 387994419 /nfs/dbraw/zinc/99/44/19/387994419.db2.gz NIRFOADRYGTNMN-UHFFFAOYSA-N 0 0 242.329 2.169 50 0 BEAARN Cc1nc(-c2ccccc2F)sc1C(N)=O ZINC000033434391 388013952 /nfs/dbraw/zinc/01/39/52/388013952.db2.gz QOVNFXQCSZMDHK-UHFFFAOYSA-N 0 0 236.271 2.357 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccc(N(C)C)nc1 ZINC000042498249 388094819 /nfs/dbraw/zinc/09/48/19/388094819.db2.gz JEJRPQGOPAOISF-WDZFZDKYSA-N 0 0 247.342 2.120 50 0 BEAARN CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000013013866 256517808 /nfs/dbraw/zinc/51/78/08/256517808.db2.gz YZAFOMJODXAJQD-UHFFFAOYSA-N 0 0 201.172 2.246 50 0 BEAARN Cc1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000000217267 177775564 /nfs/dbraw/zinc/77/55/64/177775564.db2.gz FMLMQWZXCRIBLI-UHFFFAOYSA-N 0 0 226.279 2.435 50 0 BEAARN CC(C)[C@H](C)CNC(=O)Cc1ccncc1 ZINC000355150310 388140380 /nfs/dbraw/zinc/14/03/80/388140380.db2.gz OMRAFEJPQCKYND-LLVKDONJSA-N 0 0 220.316 2.032 50 0 BEAARN CC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000021990146 256522525 /nfs/dbraw/zinc/52/25/25/256522525.db2.gz HVVRQUYSKYIOJV-UHFFFAOYSA-N 0 0 245.278 2.042 50 0 BEAARN Clc1cnn(CCO[C@@H]2CCCCO2)c1 ZINC000170616319 388257783 /nfs/dbraw/zinc/25/77/83/388257783.db2.gz OWLZWQZKDOARIX-SNVBAGLBSA-N 0 0 230.695 2.080 50 0 BEAARN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000016604209 177770215 /nfs/dbraw/zinc/77/02/15/177770215.db2.gz NMBNFAXZHORCKQ-UWVGGRQHSA-N 0 0 237.299 2.146 50 0 BEAARN CCCCCN1CC(=O)N[C@H]1c1ccc(C)cn1 ZINC000170593347 388239556 /nfs/dbraw/zinc/23/95/56/388239556.db2.gz PMNNPWYULYXXOT-CQSZACIVSA-N 0 0 247.342 2.011 50 0 BEAARN Cc1cnc(C)c(NCc2ncccc2F)n1 ZINC000170595527 388239760 /nfs/dbraw/zinc/23/97/60/388239760.db2.gz QWTBUJXNUFKESZ-UHFFFAOYSA-N 0 0 232.262 2.240 50 0 BEAARN Cc1cc(C)c(-c2cc(=O)[nH][nH]2)c(O)c1C ZINC000226761865 388355096 /nfs/dbraw/zinc/35/50/96/388355096.db2.gz YCECYBCUFNXUEF-UHFFFAOYSA-N 0 0 218.256 2.413 50 0 BEAARN O=C(Nc1ccc2c(c1)CCCC(=O)N2)C1CC1 ZINC000227169534 388358361 /nfs/dbraw/zinc/35/83/61/388358361.db2.gz OGWGDEIVRMNOBI-UHFFFAOYSA-N 0 0 244.294 2.310 50 0 BEAARN Cc1onc(-c2cccc(C)c2)c1CO ZINC000057491529 388361465 /nfs/dbraw/zinc/36/14/65/388361465.db2.gz GUQJPWJKLVUSIL-UHFFFAOYSA-N 0 0 203.241 2.451 50 0 BEAARN C[C@H](O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057521329 388361487 /nfs/dbraw/zinc/36/14/87/388361487.db2.gz DWJSURUDGIXOLD-LURJTMIESA-N 0 0 233.189 2.025 50 0 BEAARN C[C@@H]1SCC(=O)n2c3ccccc3nc21 ZINC000057531742 388362549 /nfs/dbraw/zinc/36/25/49/388362549.db2.gz JPIVUYQDHNYACG-ZETCQYMHSA-N 0 0 218.281 2.484 50 0 BEAARN Cc1ccnc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000230161305 388362828 /nfs/dbraw/zinc/36/28/28/388362828.db2.gz HXSQRAFUYUZMIL-TUAOUCFPSA-N 0 0 233.315 2.155 50 0 BEAARN Cc1csc([C@H](NC(=O)C2CC2)C2CC2)n1 ZINC000089705335 388363172 /nfs/dbraw/zinc/36/31/72/388363172.db2.gz GXYBRWQRPQDOLZ-SNVBAGLBSA-N 0 0 236.340 2.429 50 0 BEAARN O=C(C1CCC1)N1CCO[C@H](c2ccccc2)C1 ZINC000038569724 388405249 /nfs/dbraw/zinc/40/52/49/388405249.db2.gz MRAVMIKZFZGYBB-AWEZNQCLSA-N 0 0 245.322 2.387 50 0 BEAARN O=C1CCOc2cc(-c3cc[nH]n3)ccc21 ZINC000067842469 388407026 /nfs/dbraw/zinc/40/70/26/388407026.db2.gz RJCRVMZPTDKTEV-UHFFFAOYSA-N 0 0 214.224 2.042 50 0 BEAARN Cn1ccc(NCc2csc(C3CC3)n2)n1 ZINC000089756695 388366939 /nfs/dbraw/zinc/36/69/39/388366939.db2.gz XJCBIIQVDAKIPJ-UHFFFAOYSA-N 0 0 234.328 2.366 50 0 BEAARN O=C1CCCN1CCSc1ccccc1O ZINC000089814420 388367908 /nfs/dbraw/zinc/36/79/08/388367908.db2.gz GCUVWIUIPNGHPQ-UHFFFAOYSA-N 0 0 237.324 2.107 50 0 BEAARN C[C@H](NC(=O)c1ccccc1O)C1CCC1 ZINC000089894234 388371430 /nfs/dbraw/zinc/37/14/30/388371430.db2.gz KUZZINCIZHTIPT-VIFPVBQESA-N 0 0 219.284 2.311 50 0 BEAARN CCCc1nc(-n2cccc2)sc1C(=O)NC ZINC000067245691 388405543 /nfs/dbraw/zinc/40/55/43/388405543.db2.gz NRPCWGKTIKJJQS-UHFFFAOYSA-N 0 0 249.339 2.246 50 0 BEAARN CCCc1nn(Cc2ccc(C)cc2)c(=O)o1 ZINC000089960543 388376973 /nfs/dbraw/zinc/37/69/73/388376973.db2.gz OXYXBLGCDZCPRK-UHFFFAOYSA-N 0 0 232.283 2.146 50 0 BEAARN Cc1cnn(Cc2nc(C)c3ccccc3n2)c1 ZINC000193641409 388405768 /nfs/dbraw/zinc/40/57/68/388405768.db2.gz VDACCNMPSAIBOS-UHFFFAOYSA-N 0 0 238.294 2.491 50 0 BEAARN CCO[C@H]1C[C@H](NC(=O)C2CC2)C12CCCC2 ZINC000089986042 388379152 /nfs/dbraw/zinc/37/91/52/388379152.db2.gz CNPBHIFLTQFHAA-RYUDHWBXSA-N 0 0 237.343 2.250 50 0 BEAARN CCO[C@@H](C)c1noc([C@@H]2CCCOC2)n1 ZINC000089984970 388379157 /nfs/dbraw/zinc/37/91/57/388379157.db2.gz BQHWIFQXCJDEAA-DTWKUNHWSA-N 0 0 226.276 2.061 50 0 BEAARN Cc1ccc(S[C@@H](C)C(N)=O)c(C)c1 ZINC000003499423 388381172 /nfs/dbraw/zinc/38/11/72/388381172.db2.gz CGILTBOHERTUNB-VIFPVBQESA-N 0 0 209.314 2.269 50 0 BEAARN CCCc1nnc(S[C@@H]2CCCCC2=O)[nH]1 ZINC000031794949 388390093 /nfs/dbraw/zinc/39/00/93/388390093.db2.gz LTIJMDIAKGKLCE-SECBINFHSA-N 0 0 239.344 2.361 50 0 BEAARN CSCCSc1nccn2ccnc12 ZINC000193593423 388391572 /nfs/dbraw/zinc/39/15/72/388391572.db2.gz KWRFFEIIYZQDTA-UHFFFAOYSA-N 0 0 225.342 2.184 50 0 BEAARN CCCc1cc(NC(=O)c2cccnc2)n(C)n1 ZINC000090154967 388393362 /nfs/dbraw/zinc/39/33/62/388393362.db2.gz ZPTFMPABJDLZRA-UHFFFAOYSA-N 0 0 244.298 2.020 50 0 BEAARN CC(C)(C)OC(=O)N[C@@]1(C)CCC(=O)C1 ZINC000238134186 388400204 /nfs/dbraw/zinc/40/02/04/388400204.db2.gz OZNDNCZRIIVTBA-NSHDSACASA-N 0 0 213.277 2.023 50 0 BEAARN CC(C)(C)OC(=O)N[C@]1(C)CCC(=O)C1 ZINC000238199454 388401297 /nfs/dbraw/zinc/40/12/97/388401297.db2.gz OZNDNCZRIIVTBA-LLVKDONJSA-N 0 0 213.277 2.023 50 0 BEAARN CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000008122308 388401644 /nfs/dbraw/zinc/40/16/44/388401644.db2.gz YGXPMBGGDDZPNV-UHFFFAOYSA-N 0 0 247.125 2.494 50 0 BEAARN C[C@H](NC(=O)Nc1nccs1)C1CC1 ZINC000042652204 388444439 /nfs/dbraw/zinc/44/44/39/388444439.db2.gz SZCZYSJIUFBERM-LURJTMIESA-N 0 0 211.290 2.063 50 0 BEAARN Cc1noc([C@H](C)N2CCC(C)CC2)n1 ZINC000042651749 388444513 /nfs/dbraw/zinc/44/45/13/388444513.db2.gz ZERXJHKDDKNDOB-VIFPVBQESA-N 0 0 209.293 2.171 50 0 BEAARN CC(C)Cc1cc(C(=O)OCC(F)F)n[nH]1 ZINC000071803576 388446406 /nfs/dbraw/zinc/44/64/06/388446406.db2.gz WREZYFYHEOUTDL-UHFFFAOYSA-N 0 0 232.230 2.030 50 0 BEAARN Cc1cncc(NCC2CC(F)(F)C2)n1 ZINC000336367744 388457557 /nfs/dbraw/zinc/45/75/57/388457557.db2.gz DSYHLOAKWAJRSC-UHFFFAOYSA-N 0 0 213.231 2.242 50 0 BEAARN C[C@@H](Nc1ncnc(N)c1Cl)c1ccncc1 ZINC000194964256 388458469 /nfs/dbraw/zinc/45/84/69/388458469.db2.gz IGDOGESGCBBXSG-SSDOTTSWSA-N 0 0 249.705 2.280 50 0 BEAARN C[C@H](CC(=O)NCCCCO)C1CCCCC1 ZINC000194971517 388458556 /nfs/dbraw/zinc/45/85/56/388458556.db2.gz SNXHJEAORGYWKK-GFCCVEGCSA-N 0 0 241.375 2.482 50 0 BEAARN C[C@H](Nc1ncnc(N)c1Cl)c1ccncc1 ZINC000194964248 388458669 /nfs/dbraw/zinc/45/86/69/388458669.db2.gz IGDOGESGCBBXSG-ZETCQYMHSA-N 0 0 249.705 2.280 50 0 BEAARN CCOC(=O)[C@@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC000067910631 388408362 /nfs/dbraw/zinc/40/83/62/388408362.db2.gz VRFPFDNXSDOUIR-WDEREUQCSA-N 0 0 243.347 2.127 50 0 BEAARN Cc1ccc(C)c(C(=O)N2CCO[C@H](C)C2)c1 ZINC000040477905 388417522 /nfs/dbraw/zinc/41/75/22/388417522.db2.gz MSIIEPWZHCAUQE-GFCCVEGCSA-N 0 0 233.311 2.164 50 0 BEAARN CCO[C@@H](C)C(=O)N(C)Cc1ccsc1 ZINC000040523520 388420053 /nfs/dbraw/zinc/42/00/53/388420053.db2.gz WYFHTRGXZKQFEZ-VIFPVBQESA-N 0 0 227.329 2.132 50 0 BEAARN O=C(/C=C/c1ccco1)Nc1ccc(F)cn1 ZINC000069664355 388423977 /nfs/dbraw/zinc/42/39/77/388423977.db2.gz YUUIAMZVLZIOIN-GQCTYLIASA-N 0 0 232.214 2.466 50 0 BEAARN CCC(CC)n1[nH]c(=O)c2c1[nH]c(=O)cc2C ZINC000009356932 388430971 /nfs/dbraw/zinc/43/09/71/388430971.db2.gz PINVZZVBXQVGMO-UHFFFAOYSA-N 0 0 235.287 2.100 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)Nc1cn[nH]c1 ZINC000070036941 388432204 /nfs/dbraw/zinc/43/22/04/388432204.db2.gz HFXUDOWKKVOICJ-SECBINFHSA-N 0 0 242.282 2.393 50 0 BEAARN CCCCNC(=O)c1nnc(-c2ccccc2)o1 ZINC000041124398 388432261 /nfs/dbraw/zinc/43/22/61/388432261.db2.gz PYRVAZVWVWNSON-UHFFFAOYSA-N 0 0 245.282 2.267 50 0 BEAARN CCCCN1C(=O)c2ccccc2[C@@H]1NC(C)=O ZINC000009434471 388434822 /nfs/dbraw/zinc/43/48/22/388434822.db2.gz GGTUHFQHBYNASC-CYBMUJFWSA-N 0 0 246.310 2.077 50 0 BEAARN Cc1ccc(C(=O)NCc2nccs2)cc1 ZINC000041528783 388437477 /nfs/dbraw/zinc/43/74/77/388437477.db2.gz PVAQQMRTQOUCTC-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CSc1nc(=O)c2c(C)csc2[nH]1 ZINC000070694407 388439036 /nfs/dbraw/zinc/43/90/36/388439036.db2.gz QCEBIXSJOCYURM-UHFFFAOYSA-N 0 0 212.299 2.015 50 0 BEAARN COC(C)(C)c1nc(-c2ccncc2)no1 ZINC000195578655 388499603 /nfs/dbraw/zinc/49/96/03/388499603.db2.gz SPLYQSSRJCZIEI-UHFFFAOYSA-N 0 0 219.244 2.013 50 0 BEAARN CCCn1nccc1-c1ccc(NCC)nn1 ZINC000088680003 256814021 /nfs/dbraw/zinc/81/40/21/256814021.db2.gz HGTZQGWJYUWAQI-UHFFFAOYSA-N 0 0 231.303 2.182 50 0 BEAARN C[C@H](C(=O)NC[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000253369608 388589400 /nfs/dbraw/zinc/58/94/00/388589400.db2.gz FOQYHWQHPGHJLH-IACUBPJLSA-N 0 0 247.338 2.067 50 0 BEAARN Cc1cc(C)nc(N2CCS[C@H](C)CC2)n1 ZINC000253431461 388593261 /nfs/dbraw/zinc/59/32/61/388593261.db2.gz HFCXZXSYQJOZGE-LLVKDONJSA-N 0 0 237.372 2.425 50 0 BEAARN CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)[O-])C1 ZINC000236911683 388596007 /nfs/dbraw/zinc/59/60/07/388596007.db2.gz FLFTZNPGKXBGCF-ZJUUUORDSA-N 0 0 231.361 2.067 50 0 BEAARN CC(C)c1nnc(COCc2ncc[nH]2)s1 ZINC000530108003 388609520 /nfs/dbraw/zinc/60/95/20/388609520.db2.gz JEPJFEOKTNCESG-UHFFFAOYSA-N 0 0 238.316 2.101 50 0 BEAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc[nH]1 ZINC000015215987 388573567 /nfs/dbraw/zinc/57/35/67/388573567.db2.gz NTKQXDJCDRPJOC-XFXZXTDPSA-N 0 0 238.246 2.359 50 0 BEAARN CO[C@@H](C)C(=O)N(Cc1ccccc1)C1CC1 ZINC000055117625 388665006 /nfs/dbraw/zinc/66/50/06/388665006.db2.gz NOAHINBUTROQEB-NSHDSACASA-N 0 0 233.311 2.213 50 0 BEAARN Brc1n[nH]c2c1CCCC2 ZINC000095628544 388683816 /nfs/dbraw/zinc/68/38/16/388683816.db2.gz ZEDITHCBNPLRPS-UHFFFAOYSA-N 0 0 201.067 2.051 50 0 BEAARN COCc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)o1 ZINC000089420347 388736999 /nfs/dbraw/zinc/73/69/99/388736999.db2.gz VMXYLSCXWOIYOE-QWRGUYRKSA-N 0 0 249.310 2.298 50 0 BEAARN Cc1occc1C(=O)N1CCOC2(CCCC2)C1 ZINC000089540599 388737721 /nfs/dbraw/zinc/73/77/21/388737721.db2.gz CSEVUCGNVNNQQP-UHFFFAOYSA-N 0 0 249.310 2.373 50 0 BEAARN CC(C)c1cc(CNC(=O)C2CCC2)on1 ZINC000078725769 388738020 /nfs/dbraw/zinc/73/80/20/388738020.db2.gz ZIRICONAOLAPBW-UHFFFAOYSA-N 0 0 222.288 2.214 50 0 BEAARN CCOC[C@H](O)CN1CCCc2ccc(C)cc21 ZINC000079099934 388745748 /nfs/dbraw/zinc/74/57/48/388745748.db2.gz LYEQANBFWFMJKX-CQSZACIVSA-N 0 0 249.354 2.145 50 0 BEAARN CNc1ccc(Nc2ncncc2Cl)cn1 ZINC000225493327 388721653 /nfs/dbraw/zinc/72/16/53/388721653.db2.gz HJYBCGZTBBBEOY-UHFFFAOYSA-N 0 0 235.678 2.310 50 0 BEAARN CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000225513754 388727386 /nfs/dbraw/zinc/72/73/86/388727386.db2.gz ISIJZVGGOLRLTD-QJPTWQEYSA-N 0 0 242.363 2.025 50 0 BEAARN CCC[C@H]1SCCN1C(=O)[C@H](C)OCC ZINC000118651357 388731330 /nfs/dbraw/zinc/73/13/30/388731330.db2.gz LGEUIJAJLRDQJX-VHSXEESVSA-N 0 0 231.361 2.113 50 0 BEAARN CNc1cc(OCC(=O)OC)c(C)cc1Cl ZINC000095967149 388795604 /nfs/dbraw/zinc/79/56/04/388795604.db2.gz SMHAMOONRWWGOZ-UHFFFAOYSA-N 0 0 243.690 2.242 50 0 BEAARN Cc1cnc(N[C@H]2CCC[C@@]2(C)CO)nc1C ZINC000095978539 388797412 /nfs/dbraw/zinc/79/74/12/388797412.db2.gz HAYKHPJOYJHYGP-AAEUAGOBSA-N 0 0 235.331 2.056 50 0 BEAARN CC(C)N(CC(F)F)C(=O)NCc1ccco1 ZINC000095970863 388797883 /nfs/dbraw/zinc/79/78/83/388797883.db2.gz YXWJIFIBGZHVEZ-UHFFFAOYSA-N 0 0 246.257 2.465 50 0 BEAARN CCC[C@H](C(=O)N1CC[C@@H](CCO)C1)C(C)C ZINC000095979546 388800040 /nfs/dbraw/zinc/80/00/40/388800040.db2.gz IBKNEGULTHTECG-STQMWFEESA-N 0 0 241.375 2.290 50 0 BEAARN O=C(OCCC1CCC1)C1=COCCC1 ZINC000096008783 388803688 /nfs/dbraw/zinc/80/36/88/388803688.db2.gz IWXQTFTVZFPYRV-UHFFFAOYSA-N 0 0 210.273 2.414 50 0 BEAARN CS[C@H](C(=O)NCc1ccco1)C(C)C ZINC000095425873 388769251 /nfs/dbraw/zinc/76/92/51/388769251.db2.gz YANIOGFCFYURBT-JTQLQIEISA-N 0 0 227.329 2.283 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)nc1 ZINC000095448443 388772809 /nfs/dbraw/zinc/77/28/09/388772809.db2.gz ZTECGFYZKXSCBM-ZYHUDNBSSA-N 0 0 246.310 2.334 50 0 BEAARN CC(=O)c1ccccc1NCc1ccn(C)n1 ZINC000095460356 388774290 /nfs/dbraw/zinc/77/42/90/388774290.db2.gz OTKPOHHMSOFZRQ-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN CC(C)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000080759213 388779165 /nfs/dbraw/zinc/77/91/65/388779165.db2.gz AZBFWTXQRYBCMP-SNVBAGLBSA-N 0 0 239.290 2.365 50 0 BEAARN Cc1ccnc(NC(=O)CCn2cccc2)c1 ZINC000021016474 388789811 /nfs/dbraw/zinc/78/98/11/388789811.db2.gz ASFBADHQWXRNMH-UHFFFAOYSA-N 0 0 229.283 2.220 50 0 BEAARN C[C@H]1CCCCN1c1cc(C(=O)N(C)C)ccn1 ZINC000096402664 388817330 /nfs/dbraw/zinc/81/73/30/388817330.db2.gz LHBZKSHANXIDCP-NSHDSACASA-N 0 0 247.342 2.162 50 0 BEAARN Cc1ccnc(NC(=O)NCC(C)C)c1 ZINC000096502456 388821122 /nfs/dbraw/zinc/82/11/22/388821122.db2.gz PKDZEPOMYSUEMA-UHFFFAOYSA-N 0 0 207.277 2.168 50 0 BEAARN CO[C@@H](C)C(=O)Nc1cc(F)ccc1C(C)=O ZINC000097107036 388832854 /nfs/dbraw/zinc/83/28/54/388832854.db2.gz TZYUVWMUFCRUEK-QMMMGPOBSA-N 0 0 239.246 2.002 50 0 BEAARN Cc1nnc(N(C)Cc2ccc(O)cc2)s1 ZINC000225536760 388835399 /nfs/dbraw/zinc/83/53/99/388835399.db2.gz IGNMXUIVEZATSR-UHFFFAOYSA-N 0 0 235.312 2.189 50 0 BEAARN C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cccnc2)n[nH]1 ZINC000194589643 388837630 /nfs/dbraw/zinc/83/76/30/388837630.db2.gz AXXAEPUEHGERIL-SCZZXKLOSA-N 0 0 242.282 2.180 50 0 BEAARN CC(C)C(=O)NCCc1ccc([C@H](C)O)s1 ZINC000225686146 388841434 /nfs/dbraw/zinc/84/14/34/388841434.db2.gz ZFRNUNCSHRNKEL-VIFPVBQESA-N 0 0 241.356 2.116 50 0 BEAARN CCc1ccccc1NC(=O)c1ccc(=O)[nH]c1 ZINC000007724263 388894435 /nfs/dbraw/zinc/89/44/35/388894435.db2.gz JXMZDZPDVJXBTR-UHFFFAOYSA-N 0 0 242.278 2.190 50 0 BEAARN CC(=O)c1ccc(N2CCC[C@H](F)C2)nc1 ZINC000336597619 132249182 /nfs/dbraw/zinc/24/91/82/132249182.db2.gz BGMRFYJEMFUQKM-NSHDSACASA-N 0 0 222.263 2.223 50 0 BEAARN Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000004343407 132316523 /nfs/dbraw/zinc/31/65/23/132316523.db2.gz WRKWRSUBQVBAQB-UHFFFAOYSA-N 0 0 246.232 2.124 50 0 BEAARN C/C=C/C(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000015671177 322825058 /nfs/dbraw/zinc/82/50/58/322825058.db2.gz PBFPNGRDAYNHPS-QLCVYAKKSA-N 0 0 244.294 2.326 50 0 BEAARN CC(C)[C@H]1CC(=O)CN1C(=O)OC(C)(C)C ZINC000016125358 322826167 /nfs/dbraw/zinc/82/61/67/322826167.db2.gz NPZQBWOKRKDZQZ-SNVBAGLBSA-N 0 0 227.304 2.221 50 0 BEAARN Cc1cc(N2CCOCC2)nc2ccccc12 ZINC000019118876 132249910 /nfs/dbraw/zinc/24/99/10/132249910.db2.gz WCPAHVWKDJNTDJ-UHFFFAOYSA-N 0 0 228.295 2.380 50 0 BEAARN Cc1cc(N2CCSCC2)nc(C2CC2)n1 ZINC000264611233 132304409 /nfs/dbraw/zinc/30/44/09/132304409.db2.gz FJVXAKKXUBQCMG-UHFFFAOYSA-N 0 0 235.356 2.216 50 0 BEAARN Fc1ccc(N2CCC[C@H](c3cc[nH]n3)C2)nc1 ZINC000330032198 132309737 /nfs/dbraw/zinc/30/97/37/132309737.db2.gz JJNGHEWLRPXREE-JTQLQIEISA-N 0 0 246.289 2.328 50 0 BEAARN C[C@@H]1CN(c2ncnc3ccsc32)C[C@@H](C)O1 ZINC000000080542 132312568 /nfs/dbraw/zinc/31/25/68/132312568.db2.gz SVUFRCMCWNRJQQ-RKDXNWHRSA-N 0 0 249.339 2.305 50 0 BEAARN CC1CC(=O)N(c2ccc(F)cc2F)C(=O)C1 ZINC000002154595 132314446 /nfs/dbraw/zinc/31/44/46/132314446.db2.gz AZZBPDLRDYEBGU-UHFFFAOYSA-N 0 0 239.221 2.254 50 0 BEAARN Brc1ccc(N2CCOCC2)cc1 ZINC000002526703 132315104 /nfs/dbraw/zinc/31/51/04/132315104.db2.gz UJTKZWNRUPTHSB-UHFFFAOYSA-N 0 0 242.116 2.286 50 0 BEAARN CC(C)(C)C(=O)N1CCCc2cccnc21 ZINC000004352680 132316695 /nfs/dbraw/zinc/31/66/95/132316695.db2.gz SKGNVOLABANBPL-UHFFFAOYSA-N 0 0 218.300 2.407 50 0 BEAARN CC(=O)c1cc(N2CCCCC2)ccc1N ZINC000008730156 132319127 /nfs/dbraw/zinc/31/91/27/132319127.db2.gz KOJWMWIBEZYOOE-UHFFFAOYSA-N 0 0 218.300 2.462 50 0 BEAARN CC(=O)N1c2ccccc2N(C(C)=O)[C@@H](C)[C@H]1C ZINC000012416463 132321397 /nfs/dbraw/zinc/32/13/97/132321397.db2.gz UFBHMUGOJWNUJZ-AOOOYVTPSA-N 0 0 246.310 2.183 50 0 BEAARN CN(C)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000014396718 132322638 /nfs/dbraw/zinc/32/26/38/132322638.db2.gz OKZXHUXXJZFOOR-UHFFFAOYSA-N 0 0 232.327 2.379 50 0 BEAARN Cc1ccccc1N1CCN(C(=O)C(C)C)CC1 ZINC000016604342 132323400 /nfs/dbraw/zinc/32/34/00/132323400.db2.gz PYQLLMPDDACUCO-UHFFFAOYSA-N 0 0 246.354 2.300 50 0 BEAARN CCCC(=O)N1CCN(c2ccccc2C)CC1 ZINC000016604595 132323496 /nfs/dbraw/zinc/32/34/96/132323496.db2.gz NAKLYZJFYQMOBA-UHFFFAOYSA-N 0 0 246.354 2.444 50 0 BEAARN CC(=O)c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000019871018 132328268 /nfs/dbraw/zinc/32/82/68/132328268.db2.gz MILOLCCSOYVTEC-JTQLQIEISA-N 0 0 219.284 2.114 50 0 BEAARN CC(C)C(=O)N1CCCc2ccc(N)cc21 ZINC000020182741 132330217 /nfs/dbraw/zinc/33/02/17/132330217.db2.gz QEWJDPSYOVEFKL-UHFFFAOYSA-N 0 0 218.300 2.204 50 0 BEAARN CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000020360191 132331489 /nfs/dbraw/zinc/33/14/89/132331489.db2.gz PNVZEFIAGCALRT-UHFFFAOYSA-N 0 0 219.288 2.030 50 0 BEAARN Cc1noc2ncnc(N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000021531578 132331945 /nfs/dbraw/zinc/33/19/45/132331945.db2.gz QPPMQKODPQYCNE-RKDXNWHRSA-N 0 0 246.314 2.409 50 0 BEAARN O=C(c1ccoc1)N1CCCc2ncccc21 ZINC000023024730 132332913 /nfs/dbraw/zinc/33/29/13/132332913.db2.gz JOQDVEJERRUIEW-UHFFFAOYSA-N 0 0 228.251 2.268 50 0 BEAARN C[C@H]1CN(c2cnc3ccccc3n2)C[C@H](C)O1 ZINC000026134633 132333334 /nfs/dbraw/zinc/33/33/34/132333334.db2.gz PRMYCHZGLZCUMI-QWRGUYRKSA-N 0 0 243.310 2.243 50 0 BEAARN CCC(=O)NCCN1c2ccccc2CC[C@H]1C ZINC000032934724 132335731 /nfs/dbraw/zinc/33/57/31/132335731.db2.gz NWSXCZYVQHMJHU-GFCCVEGCSA-N 0 0 246.354 2.354 50 0 BEAARN Cc1cc(N)ccc1N1CCSCC1 ZINC000036950086 132343142 /nfs/dbraw/zinc/34/31/42/132343142.db2.gz XVWKDMQTVZABID-UHFFFAOYSA-N 0 0 208.330 2.130 50 0 BEAARN Nc1cccc2c1CCCN2CC(F)F ZINC000037906028 132345579 /nfs/dbraw/zinc/34/55/79/132345579.db2.gz AAOLFPPJMMZTOY-UHFFFAOYSA-N 0 0 212.243 2.287 50 0 BEAARN O[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000040412246 132347391 /nfs/dbraw/zinc/34/73/91/132347391.db2.gz QFNYINOOGHNNRA-VIFPVBQESA-N 0 0 246.232 2.062 50 0 BEAARN Cc1cccc(N)c1N1CCCCC1=O ZINC000040546188 132348150 /nfs/dbraw/zinc/34/81/50/132348150.db2.gz TZBLQJJSTOLSEE-UHFFFAOYSA-N 0 0 204.273 2.094 50 0 BEAARN CC(C)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000041306506 132349970 /nfs/dbraw/zinc/34/99/70/132349970.db2.gz MHQAOTNDTWIPGL-SNVBAGLBSA-N 0 0 219.284 2.457 50 0 BEAARN C[C@@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000045918599 132354953 /nfs/dbraw/zinc/35/49/53/132354953.db2.gz AHWUMDOPFUZQFB-MRVPVSSYSA-N 0 0 211.696 2.366 50 0 BEAARN C[C@@H]1CCCN(c2cc(=S)[nH]cn2)C1 ZINC000045918619 132355106 /nfs/dbraw/zinc/35/51/06/132355106.db2.gz WGKGBYPGDQPCTO-MRVPVSSYSA-N 0 0 209.318 2.375 50 0 BEAARN Cc1cccc(N2CCC(n3cnnc3)CC2)c1 ZINC000065375636 132389273 /nfs/dbraw/zinc/38/92/73/132389273.db2.gz OPFJGUCZYNWFKZ-UHFFFAOYSA-N 0 0 242.326 2.428 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N1CCCc2ncccc21 ZINC000069514800 132389925 /nfs/dbraw/zinc/38/99/25/132389925.db2.gz OLAMLSJLYGEJSG-VHSXEESVSA-N 0 0 216.284 2.017 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCCc2ncccc21 ZINC000069514790 132390308 /nfs/dbraw/zinc/39/03/08/132390308.db2.gz OLAMLSJLYGEJSG-ZJUUUORDSA-N 0 0 216.284 2.017 50 0 BEAARN CC(=O)c1ccc(N2CCOCC2)cc1Cl ZINC000070603066 132391357 /nfs/dbraw/zinc/39/13/57/132391357.db2.gz QIAZDKGVNJAOBG-UHFFFAOYSA-N 0 0 239.702 2.379 50 0 BEAARN c1snnc1CN1CCCc2ccccc21 ZINC000097057311 132432539 /nfs/dbraw/zinc/43/25/39/132432539.db2.gz VCKJPFYBHHXTIC-UHFFFAOYSA-N 0 0 231.324 2.491 50 0 BEAARN Fc1ccc(N2CCCC(F)(F)C2)nc1 ZINC000169725455 132445702 /nfs/dbraw/zinc/44/57/02/132445702.db2.gz KRRGMGGZMQRLAG-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN CN(Cc1nccs1)c1ccc(F)cn1 ZINC000334722857 133740459 /nfs/dbraw/zinc/74/04/59/133740459.db2.gz OGVIRCWKNDDGEF-UHFFFAOYSA-N 0 0 223.276 2.314 50 0 BEAARN COC1CCN(c2ncc(C)s2)CC1 ZINC000335435779 133845395 /nfs/dbraw/zinc/84/53/95/133845395.db2.gz CQQHMJUVNCYIAZ-UHFFFAOYSA-N 0 0 212.318 2.067 50 0 BEAARN Cc1cc(C(=O)N[C@H]2CC[C@H](F)C2)ccn1 ZINC000335982830 134038234 /nfs/dbraw/zinc/03/82/34/134038234.db2.gz HPTDKJCYCXNQSG-QWRGUYRKSA-N 0 0 222.263 2.010 50 0 BEAARN Cc1cc(N2CCC(F)(F)[C@H](C)C2)ncn1 ZINC000336026713 134057497 /nfs/dbraw/zinc/05/74/97/134057497.db2.gz UWBNQTBLPIZREW-MRVPVSSYSA-N 0 0 227.258 2.267 50 0 BEAARN O=C(C[C@H]1CCOC1)Nc1cccc(F)c1 ZINC000336088575 134077556 /nfs/dbraw/zinc/07/75/56/134077556.db2.gz YKEVUUADCBENRM-SECBINFHSA-N 0 0 223.247 2.191 50 0 BEAARN COC(C)(C)C(=O)Nc1cccc(F)c1 ZINC000223989852 134344205 /nfs/dbraw/zinc/34/42/05/134344205.db2.gz OGHBRDIVYCFBQM-UHFFFAOYSA-N 0 0 211.236 2.189 50 0 BEAARN Cc1nnc(COc2ccc(F)c(C)c2)o1 ZINC000135405884 134745151 /nfs/dbraw/zinc/74/51/51/134745151.db2.gz MCBMQXMDDXAYBI-UHFFFAOYSA-N 0 0 222.219 2.405 50 0 BEAARN O=C(NCc1cccs1)[C@@H]1CC1(F)F ZINC000336232568 135070048 /nfs/dbraw/zinc/07/00/48/135070048.db2.gz QWXNVXVAGDHVGT-ZETCQYMHSA-N 0 0 217.240 2.020 50 0 BEAARN Cc1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)nnc1C ZINC000253478803 135127078 /nfs/dbraw/zinc/12/70/78/135127078.db2.gz NEEHWQZUBGIHSR-PJXYFTJBSA-N 0 0 245.326 2.468 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CCCO2)C1 ZINC000079069249 135270347 /nfs/dbraw/zinc/27/03/47/135270347.db2.gz ZWXNZDNOVGQVNM-WZRBSPASSA-N 0 0 225.332 2.250 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000262272612 135289023 /nfs/dbraw/zinc/28/90/23/135289023.db2.gz UENXXFXKAOJOPS-TZMCWYRMSA-N 0 0 247.338 2.414 50 0 BEAARN O=C([O-])CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000263336275 135347300 /nfs/dbraw/zinc/34/73/00/135347300.db2.gz QWRUYAGLZAPFBK-UONOGXRCSA-N 0 0 247.338 2.462 50 0 BEAARN O=C([O-])CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000263336267 135347666 /nfs/dbraw/zinc/34/76/66/135347666.db2.gz QWRUYAGLZAPFBK-KGLIPLIRSA-N 0 0 247.338 2.462 50 0 BEAARN CC(C)[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000263392299 135351218 /nfs/dbraw/zinc/35/12/18/135351218.db2.gz YVZAFEOYAIJUGR-MELADBBJSA-N 0 0 247.338 2.489 50 0 BEAARN C[C@@H]1CCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)C1 ZINC000084697734 135474395 /nfs/dbraw/zinc/47/43/95/135474395.db2.gz QPZSTHFPNYBBLY-FRRDWIJNSA-N 0 0 239.359 2.450 50 0 BEAARN C[C@H](CC(F)F)C(=O)N1CCCCCO1 ZINC000334637608 135802641 /nfs/dbraw/zinc/80/26/41/135802641.db2.gz IYIGNEOVOXEXQW-MRVPVSSYSA-N 0 0 221.247 2.222 50 0 BEAARN C[C@]1(C(=O)N[C@H]2CC=CCC2)CC1(F)F ZINC000334985481 135858493 /nfs/dbraw/zinc/85/84/93/135858493.db2.gz DGLDDBFTSZXVHF-WCBMZHEXSA-N 0 0 215.243 2.257 50 0 BEAARN Cn1c2cccc(F)c2nc1NCc1ccco1 ZINC000346387777 135922099 /nfs/dbraw/zinc/92/20/99/135922099.db2.gz SVQOBIXOSIYZBS-UHFFFAOYSA-N 0 0 245.257 2.339 50 0 BEAARN O=C(N[C@@H]1CCCC[C@H]1F)c1cc[nH]c1 ZINC000335202287 135955329 /nfs/dbraw/zinc/95/53/29/135955329.db2.gz QZAMIEVDEPFHSL-NXEZZACHSA-N 0 0 210.252 2.025 50 0 BEAARN O=C(N[C@@H]1CC[C@H](F)C1)c1ccccc1 ZINC000335316411 136025261 /nfs/dbraw/zinc/02/52/61/136025261.db2.gz NSLWDKZVFDXDEY-WDEREUQCSA-N 0 0 207.248 2.307 50 0 BEAARN O=C(N[C@H]1CC12CC2)[C@@H]1CCCCC1(F)F ZINC000335564311 136107254 /nfs/dbraw/zinc/10/72/54/136107254.db2.gz HXKBTHBNFVKBIF-IUCAKERBSA-N 0 0 229.270 2.481 50 0 BEAARN CN(C)C(=O)c1ccc(Cl)c(Cl)n1 ZINC000585661679 397796556 /nfs/dbraw/zinc/79/65/56/397796556.db2.gz BZJYQNPBRLWOFH-UHFFFAOYSA-N 0 0 219.071 2.090 50 0 BEAARN C[Si](C)(C)c1cnc([Si](C)(C)C)s1 ZINC000169744959 397813627 /nfs/dbraw/zinc/81/36/27/397813627.db2.gz RZHDOWFVGMFXMC-UHFFFAOYSA-N 0 0 229.497 2.234 50 0 BEAARN CCOC[C@H](C)Nc1ccc([S@](C)=O)cc1 ZINC000097371332 397929963 /nfs/dbraw/zinc/92/99/63/397929963.db2.gz UYUHMSZIWBOKLC-MGPLVRAMSA-N 0 0 241.356 2.261 50 0 BEAARN CCc1c(C)c2ccc(O)cc2[nH]c1=O ZINC000075153197 397947586 /nfs/dbraw/zinc/94/75/86/397947586.db2.gz SWQKXCSLQZOANW-UHFFFAOYSA-N 0 0 203.241 2.105 50 0 BEAARN CN(Cc1cccnc1)c1ncccc1F ZINC000336633464 397947931 /nfs/dbraw/zinc/94/79/31/397947931.db2.gz DJYVAOYHAOSKGI-UHFFFAOYSA-N 0 0 217.247 2.252 50 0 BEAARN Cc1ccc([C@](C)(O)c2ncc[nH]2)c(C)c1 ZINC000328579530 397902021 /nfs/dbraw/zinc/90/20/21/397902021.db2.gz NQQQZZWWSOJMOW-ZDUSSCGKSA-N 0 0 216.284 2.282 50 0 BEAARN CCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000000030358 397914022 /nfs/dbraw/zinc/91/40/22/397914022.db2.gz ODMWZCBRHGGIGM-NSHDSACASA-N 0 0 241.356 2.462 50 0 BEAARN CC(C)N(C(=O)c1ccc(C(N)=O)cc1)C(C)C ZINC000000434551 397915280 /nfs/dbraw/zinc/91/52/80/397915280.db2.gz IJVCZOFZRMAESO-UHFFFAOYSA-N 0 0 248.326 2.045 50 0 BEAARN [NH3+][C@@H](CC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000004728746 397925944 /nfs/dbraw/zinc/92/59/44/397925944.db2.gz ZAQXSMCYFQJRCQ-ZQMDXNIRSA-N 0 0 223.316 2.005 50 0 BEAARN c1coc(CNc2nnc([C@H]3CCCO3)o2)c1 ZINC000170592197 397998546 /nfs/dbraw/zinc/99/85/46/397998546.db2.gz XQSYWILXHWEQQN-SECBINFHSA-N 0 0 235.243 2.126 50 0 BEAARN CCC1(CC)CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000362632354 398017694 /nfs/dbraw/zinc/01/76/94/398017694.db2.gz BENCFWNRADTGSC-LBPRGKRZSA-N 0 0 239.359 2.452 50 0 BEAARN O=C1CNc2cc(C(F)(F)F)ccc2N1 ZINC000039040020 398026616 /nfs/dbraw/zinc/02/66/16/398026616.db2.gz UEHRRJQUKYNHKW-UHFFFAOYSA-N 0 0 216.162 2.069 50 0 BEAARN O=C1Nc2ccccc2SC1(F)F ZINC000040539772 398028805 /nfs/dbraw/zinc/02/88/05/398028805.db2.gz SPGQWAYVHKUUAZ-UHFFFAOYSA-N 0 0 201.197 2.324 50 0 BEAARN CCOc1ccc2[nH]cc(CCO)c2c1 ZINC000071487234 397975252 /nfs/dbraw/zinc/97/52/52/397975252.db2.gz KXSVLLNXDPCLSE-UHFFFAOYSA-N 0 0 205.257 2.101 50 0 BEAARN C[C@H](NC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000032779595 397981149 /nfs/dbraw/zinc/98/11/49/397981149.db2.gz ORVMNWRTDGUJFL-CMPLNLGQSA-N 0 0 234.299 2.376 50 0 BEAARN COC(=O)c1ccc(-c2cccc(C=O)n2)cc1 ZINC000025757686 397985312 /nfs/dbraw/zinc/98/53/12/397985312.db2.gz SCXISFHBTLKUGI-UHFFFAOYSA-N 0 0 241.246 2.348 50 0 BEAARN COC[C@H](C)NC(=O)c1ccc(F)cc1Cl ZINC000058163520 398070559 /nfs/dbraw/zinc/07/05/59/398070559.db2.gz KFENKVCMKYLSLH-ZETCQYMHSA-N 0 0 245.681 2.244 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=S)NC2CC2)[C@H]1C ZINC000104272549 398075169 /nfs/dbraw/zinc/07/51/69/398075169.db2.gz FKBYCYJTJOSXCB-YWVKMMECSA-N 0 0 226.389 2.438 50 0 BEAARN c1ncc(-c2cccc(N3CCOCC3)c2)o1 ZINC000602993628 398085768 /nfs/dbraw/zinc/08/57/68/398085768.db2.gz BKRQHCLUVRRCNV-UHFFFAOYSA-N 0 0 230.267 2.178 50 0 BEAARN Cc1occc1C(=O)Nc1ccncc1F ZINC000095975733 398089300 /nfs/dbraw/zinc/08/93/00/398089300.db2.gz NMHGMXVNFPBDPE-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN O=C(c1cccc(Cl)n1)N1CCCCC1 ZINC000051072612 398055261 /nfs/dbraw/zinc/05/52/61/398055261.db2.gz FFURHYJBLKFXGE-UHFFFAOYSA-N 0 0 224.691 2.361 50 0 BEAARN O=C(Nc1nnc2ccccn21)[C@H]1CC=CCC1 ZINC000031739129 398110333 /nfs/dbraw/zinc/11/03/33/398110333.db2.gz MXKGFBXJTHLGNK-JTQLQIEISA-N 0 0 242.282 2.024 50 0 BEAARN CC(C)NC(=O)CCOc1ccc(F)cc1 ZINC000040069945 167043503 /nfs/dbraw/zinc/04/35/03/167043503.db2.gz FWOFAMLVUOSBMX-UHFFFAOYSA-N 0 0 225.263 2.119 50 0 BEAARN CC(C)NC(=O)NCc1ccccc1F ZINC000012893083 167075141 /nfs/dbraw/zinc/07/51/41/167075141.db2.gz HJBVUTUYGKCZRJ-UHFFFAOYSA-N 0 0 210.252 2.033 50 0 BEAARN CC(C)NS(=O)(=O)c1ccccc1Cl ZINC000006314631 167130483 /nfs/dbraw/zinc/13/04/83/167130483.db2.gz PVGVYNXWQFJCQY-UHFFFAOYSA-N 0 0 233.720 2.027 50 0 BEAARN CC(C)OC(=O)c1cnc(Cl)nc1Cl ZINC000144373360 167174917 /nfs/dbraw/zinc/17/49/17/167174917.db2.gz YRJUHXRUVTWBKE-UHFFFAOYSA-N 0 0 235.070 2.349 50 0 BEAARN CS(=O)(=O)N[C@H]1CCCCc2ccccc21 ZINC000089486593 322891533 /nfs/dbraw/zinc/89/15/33/322891533.db2.gz JZKIXXFUPOYTAJ-LBPRGKRZSA-N 0 0 239.340 2.003 50 0 BEAARN Cc1cccc(NC(=O)N2CC[C@@H]2C(F)F)n1 ZINC000585086518 487573781 /nfs/dbraw/zinc/57/37/81/487573781.db2.gz YLHHTAAEHQQRFR-MRVPVSSYSA-N 0 0 241.241 2.261 50 0 BEAARN Cc1nc(CC(=O)Nc2cccnc2)cs1 ZINC000048340395 409772603 /nfs/dbraw/zinc/77/26/03/409772603.db2.gz CTMGVQHRMYMADN-UHFFFAOYSA-N 0 0 233.296 2.028 50 0 BEAARN Cn1ccnc1[C@@H](O)CCc1ccccc1 ZINC000069028413 410006544 /nfs/dbraw/zinc/00/65/44/410006544.db2.gz VQSZXGMRUDDAGZ-LBPRGKRZSA-N 0 0 216.284 2.086 50 0 BEAARN COC[C@@H](C)Nc1ccc(C)c(C(=O)OC)c1 ZINC000097095700 410053586 /nfs/dbraw/zinc/05/35/86/410053586.db2.gz DTYFLGWYLXEYTA-SNVBAGLBSA-N 0 0 237.299 2.228 50 0 BEAARN CC(C)Sc1ccc(CC(N)=O)cc1 ZINC000000347752 167337208 /nfs/dbraw/zinc/33/72/08/167337208.db2.gz XGYJIDQPTJASEZ-UHFFFAOYSA-N 0 0 209.314 2.215 50 0 BEAARN Brc1ccc(-c2ncccn2)cn1 ZINC000071261517 166098492 /nfs/dbraw/zinc/09/84/92/166098492.db2.gz SYODETQANLEOFO-UHFFFAOYSA-N 0 0 236.072 2.301 50 0 BEAARN Brc1ccc2ccnnc2c1 ZINC000095093452 166099538 /nfs/dbraw/zinc/09/95/38/166099538.db2.gz YSQZCVRMDQNMSE-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc2c(c1)NCCN2 ZINC000076887664 166100162 /nfs/dbraw/zinc/10/01/62/166100162.db2.gz YWRDQVNEWKPADI-UHFFFAOYSA-N 0 0 213.078 2.287 50 0 BEAARN Brc1cccc(C2N3CCCN23)c1 ZINC000019171091 166102059 /nfs/dbraw/zinc/10/20/59/166102059.db2.gz FUKQWMHJPLSYNJ-UHFFFAOYSA-N 0 0 239.116 2.384 50 0 BEAARN Brc1ccccc1-c1nc[nH]n1 ZINC000065337216 166103112 /nfs/dbraw/zinc/10/31/12/166103112.db2.gz LSWFPACWJIHFDN-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1ccnc(-c2ncc[nH]2)c1 ZINC000096663632 166103174 /nfs/dbraw/zinc/10/31/74/166103174.db2.gz CKCFAYMXYXONIK-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1cnc(-n2cccn2)s1 ZINC000044116986 166104072 /nfs/dbraw/zinc/10/40/72/166104072.db2.gz LCDPHNRDQSNOFQ-UHFFFAOYSA-N 0 0 230.090 2.091 50 0 BEAARN Brc1csc2nccnc12 ZINC000071787950 166106010 /nfs/dbraw/zinc/10/60/10/166106010.db2.gz LKUNJISTXIJLSP-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN CCN(CC)C(=O)Cc1ccccc1C ZINC000006741461 169751897 /nfs/dbraw/zinc/75/18/97/169751897.db2.gz VNNLNJLETLMBFJ-UHFFFAOYSA-N 0 0 205.301 2.406 50 0 BEAARN CCN(CC)C(=O)c1cc(C(C)C)on1 ZINC000013363757 169758884 /nfs/dbraw/zinc/75/88/84/169758884.db2.gz YSERBWFJYHEBQX-UHFFFAOYSA-N 0 0 210.277 2.280 50 0 BEAARN CCN(CC)C(=O)c1cc(Cl)c[nH]1 ZINC000040487748 169759398 /nfs/dbraw/zinc/75/93/98/169759398.db2.gz SIOIFNZNDLPCQT-UHFFFAOYSA-N 0 0 200.669 2.150 50 0 BEAARN CC(=O)c1ccnc(Br)c1 ZINC000015443003 166485427 /nfs/dbraw/zinc/48/54/27/166485427.db2.gz OCOXYYMZTJBJJN-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN CCN(CC)C(=O)c1cccnc1Cl ZINC000006046362 169760564 /nfs/dbraw/zinc/76/05/64/169760564.db2.gz UEKCGMIHMFNDNI-UHFFFAOYSA-N 0 0 212.680 2.217 50 0 BEAARN CC(=O)c1cc(N2CCCC2)ccc1N ZINC000008730165 166446322 /nfs/dbraw/zinc/44/63/22/166446322.db2.gz LAXMYAGCDPTAGX-UHFFFAOYSA-N 0 0 204.273 2.072 50 0 BEAARN CC(=O)c1cc(N)ccc1Br ZINC000082048764 166447016 /nfs/dbraw/zinc/44/70/16/166447016.db2.gz PNZIHAVVVVPFDZ-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN CC(=O)c1ccc(-c2ccc(C(N)=O)cn2)cc1 ZINC000032573248 166449412 /nfs/dbraw/zinc/44/94/12/166449412.db2.gz PYWLIYSFSMGWNG-UHFFFAOYSA-N 0 0 240.262 2.050 50 0 BEAARN CC(=O)c1ccc(-n2ccc(=O)cc2)cc1 ZINC000004053939 166451301 /nfs/dbraw/zinc/45/13/01/166451301.db2.gz IQTLNPSUZKAAKX-UHFFFAOYSA-N 0 0 213.236 2.040 50 0 BEAARN CCN(CC)C(=O)c1noc2c1CCCCC2 ZINC000007000037 169761802 /nfs/dbraw/zinc/76/18/02/169761802.db2.gz DLAAMXRXVCEBLG-UHFFFAOYSA-N 0 0 236.315 2.426 50 0 BEAARN CC(C)(C)C(=O)n1nc(-c2ccccc2)oc1=O ZINC000000386038 166538341 /nfs/dbraw/zinc/53/83/41/166538341.db2.gz AHYDUWUUWASEJO-UHFFFAOYSA-N 0 0 246.266 2.190 50 0 BEAARN CC(C)(C)C1C[C@@H]2CC(CO)C[C@H](C1)C2O ZINC000017185384 166545864 /nfs/dbraw/zinc/54/58/64/166545864.db2.gz LOIWTPLUDGDWQK-FMNWTUGISA-N 0 0 226.360 2.438 50 0 BEAARN CC(C)(C)CC(C)(C)N1CNC(=S)NC1 ZINC000020421310 166552534 /nfs/dbraw/zinc/55/25/34/166552534.db2.gz IRMLTMTWDPYZIH-UHFFFAOYSA-N 0 0 229.393 2.307 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@H]2CCC(=O)C[C@@H]2C1 ZINC000059979625 166657624 /nfs/dbraw/zinc/65/76/24/166657624.db2.gz KEEXIHAGXWAFOF-NXEZZACHSA-N 0 0 239.315 2.223 50 0 BEAARN CC(C)(C)OC(=O)n1c(=O)[nH]c2ccccc21 ZINC000002577885 166675470 /nfs/dbraw/zinc/67/54/70/166675470.db2.gz GMUWCTKADZFKLT-UHFFFAOYSA-N 0 0 234.255 2.113 50 0 BEAARN CC(C)C(=O)N[C@@H](C)Cc1ccccc1 ZINC000012346305 166724042 /nfs/dbraw/zinc/72/40/42/166724042.db2.gz NCRGPXPYOYEXQT-NSHDSACASA-N 0 0 205.301 2.390 50 0 BEAARN CC(C)C(=O)Nc1noc2ccccc21 ZINC000009667585 166731874 /nfs/dbraw/zinc/73/18/74/166731874.db2.gz XUOYZGXWMVRKLY-UHFFFAOYSA-N 0 0 204.229 2.422 50 0 BEAARN CC(C)CCN1C(=O)c2ccccc2[C@@H]1O ZINC000013898317 166837063 /nfs/dbraw/zinc/83/70/63/166837063.db2.gz SFVPAAYZTUCGDI-LBPRGKRZSA-N 0 0 219.284 2.179 50 0 BEAARN CC(C)CCNC(=O)c1cccc2c[nH]nc21 ZINC000012921954 166856352 /nfs/dbraw/zinc/85/63/52/166856352.db2.gz AGPWLWRCLXXQGY-UHFFFAOYSA-N 0 0 231.299 2.339 50 0 BEAARN CC(C)CCNC(=O)c1ccc2[nH]cnc2c1 ZINC000013219120 166856372 /nfs/dbraw/zinc/85/63/72/166856372.db2.gz AUEXQPCHKRYUMR-UHFFFAOYSA-N 0 0 231.299 2.339 50 0 BEAARN CC(C)CN1C(=S)SC(C)(C)[C@H]1NO ZINC000004016071 166963561 /nfs/dbraw/zinc/96/35/61/166963561.db2.gz YGVPGOVHHJSCRA-ZETCQYMHSA-N 0 0 234.390 2.060 50 0 BEAARN CC(C)CNC(=S)NC1CCCC1 ZINC000013470972 167000706 /nfs/dbraw/zinc/00/07/06/167000706.db2.gz CRDCBHZOGAUJGC-UHFFFAOYSA-N 0 0 200.351 2.049 50 0 BEAARN CC(C)COC(=O)c1n[nH]c2ccccc21 ZINC000016183871 167022729 /nfs/dbraw/zinc/02/27/29/167022729.db2.gz SDGKBHBQHDAYMI-UHFFFAOYSA-N 0 0 218.256 2.376 50 0 BEAARN CC(C)NC(=O)CN(Cc1ccccc1)C1CC1 ZINC000043643106 167051254 /nfs/dbraw/zinc/05/12/54/167051254.db2.gz KNMYOSOREBVGGE-UHFFFAOYSA-N 0 0 246.354 2.176 50 0 BEAARN CC(C)NC(=O)Cn1ccc(-c2cccs2)n1 ZINC000065595459 167065472 /nfs/dbraw/zinc/06/54/72/167065472.db2.gz BISYUYKQENNJKU-UHFFFAOYSA-N 0 0 249.339 2.136 50 0 BEAARN CC(C)NC(=O)NCc1cc(F)ccc1F ZINC000074978578 167073289 /nfs/dbraw/zinc/07/32/89/167073289.db2.gz WYPYVITTYJHHOT-UHFFFAOYSA-N 0 0 228.242 2.172 50 0 BEAARN CC(C)NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000031549769 167090148 /nfs/dbraw/zinc/09/01/48/167090148.db2.gz CDEYEUOEVUUAPO-UHFFFAOYSA-N 0 0 247.273 2.150 50 0 BEAARN CC(C)NC(=O)c1n[nH]c2c1CCCCCC2 ZINC000075337253 167090960 /nfs/dbraw/zinc/09/09/60/167090960.db2.gz LCORJRSCWYZPQA-UHFFFAOYSA-N 0 0 235.331 2.207 50 0 BEAARN CC(C)NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000012851023 167091340 /nfs/dbraw/zinc/09/13/40/167091340.db2.gz HIVBEVZBJWJMDR-UHFFFAOYSA-N 0 0 243.310 2.070 50 0 BEAARN CC(C)OC(=O)c1cc2ccccc2oc1=O ZINC000000106919 167172700 /nfs/dbraw/zinc/17/27/00/167172700.db2.gz QPPAJPWUSODCEM-UHFFFAOYSA-N 0 0 232.235 2.358 50 0 BEAARN CC(C)Oc1cc(CNc2cnccn2)ccn1 ZINC000195575587 167285969 /nfs/dbraw/zinc/28/59/69/167285969.db2.gz FWSJIZWILPIKDU-UHFFFAOYSA-N 0 0 244.298 2.271 50 0 BEAARN CC(C)Oc1ccc(C=O)cc1CN(C)C ZINC000013424681 167291475 /nfs/dbraw/zinc/29/14/75/167291475.db2.gz IGIPVCAGCVLSHE-UHFFFAOYSA-N 0 0 221.300 2.348 50 0 BEAARN CC(C)Oc1ccc(Cl)cc1C(N)=O ZINC000036665003 167293739 /nfs/dbraw/zinc/29/37/39/167293739.db2.gz JYMXEXHWDWIRGS-UHFFFAOYSA-N 0 0 213.664 2.226 50 0 BEAARN CC(C)Sc1n[nH]c(=O)n1-c1ccccc1 ZINC000015924154 167339072 /nfs/dbraw/zinc/33/90/72/167339072.db2.gz KGJSMQVRYJQJOD-UHFFFAOYSA-N 0 0 235.312 2.061 50 0 BEAARN CC(C)[C@@H](C)NS(=O)(=O)Cc1ccccc1 ZINC000023623202 167384033 /nfs/dbraw/zinc/38/40/33/167384033.db2.gz LPWJYURZVCLRLY-LLVKDONJSA-N 0 0 241.356 2.151 50 0 BEAARN CC(C)[C@@H](CCO)NC(=O)CC1CCCCC1 ZINC000084410220 167389961 /nfs/dbraw/zinc/38/99/61/167389961.db2.gz HXNYYTFXUJHQOD-CYBMUJFWSA-N 0 0 241.375 2.480 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000041788348 410935833 /nfs/dbraw/zinc/93/58/33/410935833.db2.gz HUEKXTQTVHOCEQ-KGYLQXTDSA-N 0 0 230.311 2.401 50 0 BEAARN CCCCN(CCCC)C(=O)Cn1ccnc1 ZINC000104664311 410945350 /nfs/dbraw/zinc/94/53/50/410945350.db2.gz KWWNQYUWVPTFBN-UHFFFAOYSA-N 0 0 237.347 2.312 50 0 BEAARN CC(C)c1ccc(OCC(=O)N(C)C)cc1 ZINC000020117139 167608544 /nfs/dbraw/zinc/60/85/44/167608544.db2.gz RWMOUEJFTHPQNX-UHFFFAOYSA-N 0 0 221.300 2.277 50 0 BEAARN CC(C)c1cccc2c1CCN(C(N)=O)C2 ZINC000252499196 167635699 /nfs/dbraw/zinc/63/56/99/167635699.db2.gz RWXWIXOKIIQBHW-UHFFFAOYSA-N 0 0 218.300 2.247 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000044575023 411138292 /nfs/dbraw/zinc/13/82/92/411138292.db2.gz RKDGWGVZONGCQA-KCJUWKMLSA-N 0 0 243.266 2.331 50 0 BEAARN CN(C)c1cnnc2ccc(Cl)cc21 ZINC000046087296 411157670 /nfs/dbraw/zinc/15/76/70/411157670.db2.gz YPNAFUYRWXOMJA-UHFFFAOYSA-N 0 0 207.664 2.349 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000498050809 411123271 /nfs/dbraw/zinc/12/32/71/411123271.db2.gz FFWSNKPDUUDKOO-SECBINFHSA-N 0 0 229.320 2.014 50 0 BEAARN COc1ncccc1NC(=O)c1ccsc1 ZINC000048333320 411187440 /nfs/dbraw/zinc/18/74/40/411187440.db2.gz NQZUXZBKLYVUIH-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN O=C(Nc1ccccn1)N1CCCCCC1 ZINC000048347369 411190514 /nfs/dbraw/zinc/19/05/14/411190514.db2.gz ZTPPWYJVSQTJGF-UHFFFAOYSA-N 0 0 219.288 2.490 50 0 BEAARN CCOc1cccc(NC(=O)c2cc(C)[nH]n2)c1 ZINC000048736885 411212333 /nfs/dbraw/zinc/21/23/33/411212333.db2.gz BSLJYYJKLFMKIU-UHFFFAOYSA-N 0 0 245.282 2.369 50 0 BEAARN CC(C)n1nnnc1CSCc1ccccn1 ZINC000096494696 167804923 /nfs/dbraw/zinc/80/49/23/167804923.db2.gz IAAMFWOJBJYKLP-UHFFFAOYSA-N 0 0 249.343 2.082 50 0 BEAARN CC/C=C(\C)C(=O)NCCc1nccs1 ZINC000195158690 167834224 /nfs/dbraw/zinc/83/42/24/167834224.db2.gz ZDHJNUVAEQSARK-RUDMXATFSA-N 0 0 224.329 2.158 50 0 BEAARN CCN(CC)c1ncc(N)cc1Br ZINC000058408264 169806491 /nfs/dbraw/zinc/80/64/91/169806491.db2.gz OXBMBNHITDAFRE-UHFFFAOYSA-N 0 0 244.136 2.273 50 0 BEAARN Cc1ccc2snc(C(=O)N(C)C)c2c1 ZINC000064551601 411270426 /nfs/dbraw/zinc/27/04/26/411270426.db2.gz UGGWWGHKNRCMGB-UHFFFAOYSA-N 0 0 220.297 2.307 50 0 BEAARN CCOc1cccc(C(=O)Nc2cc[nH]n2)c1 ZINC000049449534 411261122 /nfs/dbraw/zinc/26/11/22/411261122.db2.gz CZXHHYUGNHXMMJ-UHFFFAOYSA-N 0 0 231.255 2.061 50 0 BEAARN O=C(CCC1CCCC1)NCC1CCOCC1 ZINC000169750750 411341312 /nfs/dbraw/zinc/34/13/12/411341312.db2.gz GMKJDZIVOUMPQH-UHFFFAOYSA-N 0 0 239.359 2.500 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(C)(CO)CC1 ZINC000014984807 168050531 /nfs/dbraw/zinc/05/05/31/168050531.db2.gz YFYSPIRFZKBBAU-UHFFFAOYSA-N 0 0 229.320 2.016 50 0 BEAARN CC1(c2cncc(Br)c2)OCCO1 ZINC000004101088 168073016 /nfs/dbraw/zinc/07/30/16/168073016.db2.gz BOSIJYLYQYRXNT-UHFFFAOYSA-N 0 0 244.088 2.064 50 0 BEAARN CC1=CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000000100414 168092582 /nfs/dbraw/zinc/09/25/82/168092582.db2.gz FZHZIDNFXBWCNZ-UHFFFAOYSA-N 0 0 239.633 2.299 50 0 BEAARN CC1=CC(C)(C)n2c(=O)c(=O)oc3cccc1c32 ZINC000253495410 168093311 /nfs/dbraw/zinc/09/33/11/168093311.db2.gz CQOMEYUZYYUNIU-UHFFFAOYSA-N 0 0 243.262 2.107 50 0 BEAARN CC1=CN(O)[C@H](c2ccc(O)cc2)N=N1 ZINC000085432592 168122206 /nfs/dbraw/zinc/12/22/06/168122206.db2.gz TWBYJKVZHPTLIL-SNVBAGLBSA-N 0 0 205.217 2.409 50 0 BEAARN CC1=Nc2ncnn2[C@H](c2ccccc2)C1 ZINC000100092094 168126087 /nfs/dbraw/zinc/12/60/87/168126087.db2.gz KMMGBMZDAKTMQO-NSHDSACASA-N 0 0 212.256 2.197 50 0 BEAARN CC1=N/C(=C/c2ccccc2F)C(=O)O1 ZINC000001513608 168132555 /nfs/dbraw/zinc/13/25/55/168132555.db2.gz JIDVSXGXSILSBZ-UXBLZVDNSA-N 0 0 205.188 2.142 50 0 BEAARN Cc1cc(=O)n(-c2ccc(C)cc2C)[nH]1 ZINC000001004590 168133327 /nfs/dbraw/zinc/13/33/27/168133327.db2.gz AEISAVPOAWUOEY-UHFFFAOYSA-N 0 0 202.257 2.416 50 0 BEAARN Cc1[nH][nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000100028512 168136296 /nfs/dbraw/zinc/13/62/96/168136296.db2.gz QMPVZTYWNUFOKQ-SNVBAGLBSA-N 0 0 222.675 2.004 50 0 BEAARN CC1=NO[C@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC000064555780 168136675 /nfs/dbraw/zinc/13/66/75/168136675.db2.gz CMQYKPYVNJGUNI-ZDUSSCGKSA-N 0 0 246.310 2.198 50 0 BEAARN CC1=NSC2=NCC(c3ccccc3)=NN12 ZINC000001468183 168137849 /nfs/dbraw/zinc/13/78/49/168137849.db2.gz LTIYICBYDVKHAA-UHFFFAOYSA-N 0 0 230.296 2.143 50 0 BEAARN CC1CC(C(=O)N2CCS[C@@H](C)[C@H]2C)C1 ZINC000084766869 168138511 /nfs/dbraw/zinc/13/85/11/168138511.db2.gz IJDTUOJQTXCTLD-WIFZPCQCSA-N 0 0 227.373 2.385 50 0 BEAARN CC1CC(C(=O)N2CCS[C@H](C)[C@@H]2C)C1 ZINC000084766864 168138719 /nfs/dbraw/zinc/13/87/19/168138719.db2.gz IJDTUOJQTXCTLD-LIZLNQBYSA-N 0 0 227.373 2.385 50 0 BEAARN CC1CCN(C(=O)Cc2ccccc2)CC1 ZINC000000510937 168172844 /nfs/dbraw/zinc/17/28/44/168172844.db2.gz RTLLKOZQVFYGRU-UHFFFAOYSA-N 0 0 217.312 2.488 50 0 BEAARN CC1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC000075531366 168177890 /nfs/dbraw/zinc/17/78/90/168177890.db2.gz CNQPBAWQFDIFPE-UHFFFAOYSA-N 0 0 247.342 2.092 50 0 BEAARN CC(C)c1noc(CN2CCC(C)CC2)n1 ZINC000040489577 168184436 /nfs/dbraw/zinc/18/44/36/168184436.db2.gz JOBKEPAXCNMNMZ-UHFFFAOYSA-N 0 0 223.320 2.425 50 0 BEAARN CCC(=O)Cc1ccc(OC)c(OC)c1 ZINC000001718850 168209573 /nfs/dbraw/zinc/20/95/73/168209573.db2.gz PGBQLBXSVSRQPF-UHFFFAOYSA-N 0 0 208.257 2.225 50 0 BEAARN CCC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000049706011 168215472 /nfs/dbraw/zinc/21/54/72/168215472.db2.gz BDEREIIBQVWVCF-UHFFFAOYSA-N 0 0 233.311 2.466 50 0 BEAARN CCC(=O)N1CCC(c2nccs2)CC1 ZINC000040623302 168215598 /nfs/dbraw/zinc/21/55/98/168215598.db2.gz QJNMGILYBQMWEC-UHFFFAOYSA-N 0 0 224.329 2.259 50 0 BEAARN CCC(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000074754242 168221080 /nfs/dbraw/zinc/22/10/80/168221080.db2.gz OLKFPGBADPLVGB-CQSZACIVSA-N 0 0 247.338 2.257 50 0 BEAARN CCC(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000074754243 168221780 /nfs/dbraw/zinc/22/17/80/168221780.db2.gz OLKFPGBADPLVGB-AWEZNQCLSA-N 0 0 247.338 2.257 50 0 BEAARN CCC(=O)N1CCO[C@@H](c2ccc(C)cc2)C1 ZINC000041171061 168221782 /nfs/dbraw/zinc/22/17/82/168221782.db2.gz MHRGGFFMYVLARX-CYBMUJFWSA-N 0 0 233.311 2.305 50 0 BEAARN CCC(=O)NC(=S)N(CC)c1ccccc1 ZINC000002135878 168227677 /nfs/dbraw/zinc/22/76/77/168227677.db2.gz OHFKOTJBHJDVIF-UHFFFAOYSA-N 0 0 236.340 2.324 50 0 BEAARN CCC(=O)NCCCN(CC)c1ccccc1 ZINC000053639431 168229075 /nfs/dbraw/zinc/22/90/75/168229075.db2.gz RJYFTRIHLNBCSJ-UHFFFAOYSA-N 0 0 234.343 2.429 50 0 BEAARN CCC(=O)NC[C@@H](OC)c1cccc(F)c1 ZINC000096387882 168232026 /nfs/dbraw/zinc/23/20/26/168232026.db2.gz RNIJNYQYYQSATE-LLVKDONJSA-N 0 0 225.263 2.039 50 0 BEAARN CCC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 ZINC000036565655 168243772 /nfs/dbraw/zinc/24/37/72/168243772.db2.gz LKBGXZZWXISQDN-UHFFFAOYSA-N 0 0 248.326 2.056 50 0 BEAARN CCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000005440535 168245751 /nfs/dbraw/zinc/24/57/51/168245751.db2.gz PMSOQGUTGULJRB-UHFFFAOYSA-N 0 0 232.283 2.162 50 0 BEAARN CCC(=O)Nc1ccc2nsnc2c1 ZINC000017083471 168246176 /nfs/dbraw/zinc/24/61/76/168246176.db2.gz ZCQKCWSEUAEXJF-UHFFFAOYSA-N 0 0 207.258 2.040 50 0 BEAARN CCC(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000012138805 168246269 /nfs/dbraw/zinc/24/62/69/168246269.db2.gz CWYHWLFLWYJOPW-UHFFFAOYSA-N 0 0 234.299 2.173 50 0 BEAARN CCC(=O)c1ccc(NC(=S)NC)cc1 ZINC000033488192 168256422 /nfs/dbraw/zinc/25/64/22/168256422.db2.gz FXJLDZMOBNBJKJ-UHFFFAOYSA-N 0 0 222.313 2.196 50 0 BEAARN CCC(=O)n1nc(-c2ccc(C)c(C)c2)nc1N ZINC000021805125 168258647 /nfs/dbraw/zinc/25/86/47/168258647.db2.gz ATKNNQCPSOPBJZ-UHFFFAOYSA-N 0 0 244.298 2.194 50 0 BEAARN CCC(C)(C)NC(=O)/C=C/c1ccncc1 ZINC000032335823 168288745 /nfs/dbraw/zinc/28/87/45/168288745.db2.gz MVCSKPCFJUFDDB-AATRIKPKSA-N 0 0 218.300 2.400 50 0 BEAARN CCC(C)(C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC000032776833 168296892 /nfs/dbraw/zinc/29/68/92/168296892.db2.gz NDJGDIZWMLZOIH-UHFFFAOYSA-N 0 0 221.304 2.206 50 0 BEAARN Cc1ncn(Cc2cc(C3CC3)no2)c1C ZINC000657254937 411436026 /nfs/dbraw/zinc/43/60/26/411436026.db2.gz FOMJJHPHUSTCLZ-UHFFFAOYSA-N 0 0 217.272 2.414 50 0 BEAARN CCN(Cc1nnc(C)o1)c1ccccc1 ZINC000062639422 169937383 /nfs/dbraw/zinc/93/73/83/169937383.db2.gz RPWOWCZHWHGLPW-UHFFFAOYSA-N 0 0 217.272 2.405 50 0 BEAARN CCN1C(=O)C(=CNc2ccccc2)OC1=S ZINC000012341376 169945819 /nfs/dbraw/zinc/94/58/19/169945819.db2.gz NLLWAHKMYYCRHF-NTMALXAHSA-N 0 0 248.307 2.104 50 0 BEAARN CCN1C(=O)c2ccccc2NC1(C)C ZINC000039932953 169948386 /nfs/dbraw/zinc/94/83/86/169948386.db2.gz PZJXUMDHJPJNFA-UHFFFAOYSA-N 0 0 204.273 2.310 50 0 BEAARN CCN1CC[C@@H]([C@@](O)(CC)c2ccccc2)C1=O ZINC000071773747 170014550 /nfs/dbraw/zinc/01/45/50/170014550.db2.gz OIDPGAMWDJEUCU-UKRRQHHQSA-N 0 0 247.338 2.153 50 0 BEAARN CC[N@@H+]1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072433465 170017484 /nfs/dbraw/zinc/01/74/84/170017484.db2.gz VNNHWOSJUQFCKJ-GFCCVEGCSA-N 0 0 233.311 2.269 50 0 BEAARN CCN1C[C@H](COc2ccc(C)cc2)OC1=O ZINC000071773765 170039377 /nfs/dbraw/zinc/03/93/77/170039377.db2.gz XXBAQHMELHKEDA-GFCCVEGCSA-N 0 0 235.283 2.215 50 0 BEAARN CCNC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000054565015 170054081 /nfs/dbraw/zinc/05/40/81/170054081.db2.gz QYOAERBVFGDNPK-UHFFFAOYSA-N 0 0 244.294 2.410 50 0 BEAARN CCNC(=O)COc1ccc2ccccc2c1 ZINC000000442962 170068167 /nfs/dbraw/zinc/06/81/67/170068167.db2.gz QHWLNOBTZSOSQY-UHFFFAOYSA-N 0 0 229.279 2.355 50 0 BEAARN CCNC(=O)N(C)[C@@H](c1cccnc1)C(C)C ZINC000078403015 170071637 /nfs/dbraw/zinc/07/16/37/170071637.db2.gz LNLQAYXESCOTBZ-GFCCVEGCSA-N 0 0 235.331 2.440 50 0 BEAARN CCNC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000230172294 170074872 /nfs/dbraw/zinc/07/48/72/170074872.db2.gz CDFANPZPBBXYIG-OUAUKWLOSA-N 0 0 210.321 2.369 50 0 BEAARN CCNC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000075107895 170075926 /nfs/dbraw/zinc/07/59/26/170075926.db2.gz CDFANPZPBBXYIG-VWYCJHECSA-N 0 0 210.321 2.369 50 0 BEAARN CCNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000002167575 170084304 /nfs/dbraw/zinc/08/43/04/170084304.db2.gz NFOPSQHXHGGAMC-UHFFFAOYSA-N 0 0 206.245 2.031 50 0 BEAARN CCNC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044101371 170085364 /nfs/dbraw/zinc/08/53/64/170085364.db2.gz YONUBWFRDCKQJO-UHFFFAOYSA-N 0 0 247.298 2.177 50 0 BEAARN CCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000008558557 170096436 /nfs/dbraw/zinc/09/64/36/170096436.db2.gz ZSSCBAYVGNQTKP-NSHDSACASA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)c1ccc(OCC)cc1OCC ZINC000006731229 170102752 /nfs/dbraw/zinc/10/27/52/170102752.db2.gz FCOBPYFLSYLVQV-UHFFFAOYSA-N 0 0 237.299 2.234 50 0 BEAARN CCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000072437684 170103011 /nfs/dbraw/zinc/10/30/11/170103011.db2.gz CBERHVVVMDURLD-UHFFFAOYSA-N 0 0 213.664 2.098 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000006205726 170103611 /nfs/dbraw/zinc/10/36/11/170103611.db2.gz JZOAJVDJPBTIOO-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN CCNC(=O)c1cnn(C(C)C)c1C(F)(F)F ZINC000058342794 170104220 /nfs/dbraw/zinc/10/42/20/170104220.db2.gz GNJSDYOTXKIMKT-UHFFFAOYSA-N 0 0 249.236 2.233 50 0 BEAARN CCNC(=O)c1oc2c(cccc2OC)c1C ZINC000069416579 170105094 /nfs/dbraw/zinc/10/50/94/170105094.db2.gz ILVPJTDOIOBRIH-UHFFFAOYSA-N 0 0 233.267 2.500 50 0 BEAARN CCNC(=S)Nc1ccc(C)cc1O ZINC000016958048 170106321 /nfs/dbraw/zinc/10/63/21/170106321.db2.gz XPPUOZZIVINYLM-UHFFFAOYSA-N 0 0 210.302 2.007 50 0 BEAARN CCNC(=S)Nc1ccccc1OCC ZINC000000315617 170106548 /nfs/dbraw/zinc/10/65/48/170106548.db2.gz LDFBPQIAAFZVNQ-UHFFFAOYSA-N 0 0 224.329 2.392 50 0 BEAARN CCNC(=S)NCc1ccc(Cl)cc1 ZINC000004681994 170106767 /nfs/dbraw/zinc/10/67/67/170106767.db2.gz UWZZUKMOHNJNEX-UHFFFAOYSA-N 0 0 228.748 2.324 50 0 BEAARN CCNS(=O)(=O)c1cccc2ccccc21 ZINC000016577306 170137406 /nfs/dbraw/zinc/13/74/06/170137406.db2.gz SHNXKFOTUQEPDA-UHFFFAOYSA-N 0 0 235.308 2.138 50 0 BEAARN CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000380182 170137414 /nfs/dbraw/zinc/13/74/14/170137414.db2.gz LVKBKLWVXIKPDK-UHFFFAOYSA-N 0 0 241.356 2.282 50 0 BEAARN CCNc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000015680994 170175515 /nfs/dbraw/zinc/17/55/15/170175515.db2.gz ZBRLLIMKRAJMOS-UHFFFAOYSA-N 0 0 249.270 2.186 50 0 BEAARN CCNc1nc(-c2cccc(OC)c2)no1 ZINC000021922467 170175564 /nfs/dbraw/zinc/17/55/64/170175564.db2.gz IYUKQOQVJVUFFT-UHFFFAOYSA-N 0 0 219.244 2.177 50 0 BEAARN CCNc1nc(NC(C)(C)C)nc(SC)n1 ZINC000002008092 170177004 /nfs/dbraw/zinc/17/70/04/170177004.db2.gz IROINLKCQGIITA-UHFFFAOYSA-N 0 0 241.364 2.236 50 0 in-vivo BEAARN CCNc1ncnc2cc(OC)c(OC)cc21 ZINC000023642051 170178718 /nfs/dbraw/zinc/17/87/18/170178718.db2.gz XPYCWBYQQPWQJO-UHFFFAOYSA-N 0 0 233.271 2.079 50 0 in-vitro BEAARN CCOC(=O)/C=C/c1cccc(OC)c1 ZINC000001624852 170183366 /nfs/dbraw/zinc/18/33/66/170183366.db2.gz UPOMPRQKAGEXPN-BQYQJAHWSA-N 0 0 206.241 2.272 50 0 BEAARN CCOC(=O)C(=O)Nc1ccc(Cl)cc1C ZINC000001624016 170183827 /nfs/dbraw/zinc/18/38/27/170183827.db2.gz PMYROYQKBIJSQZ-UHFFFAOYSA-N 0 0 241.674 2.150 50 0 BEAARN CCOC(=O)C(=O)Nc1cccc2ccccc21 ZINC000003895977 170184152 /nfs/dbraw/zinc/18/41/52/170184152.db2.gz XEKONFTWUGSZSC-UHFFFAOYSA-N 0 0 243.262 2.341 50 0 BEAARN CCOC(=O)C(=O)c1ccc(C)c(C)c1 ZINC000004255753 170184725 /nfs/dbraw/zinc/18/47/25/170184725.db2.gz DGERUSYBAJJOPC-UHFFFAOYSA-N 0 0 206.241 2.049 50 0 BEAARN CCOC(=O)C(=O)c1ccc(F)c(Cl)c1 ZINC000004255733 170184856 /nfs/dbraw/zinc/18/48/56/170184856.db2.gz OVOGFBWMHITCTB-UHFFFAOYSA-N 0 0 230.622 2.225 50 0 BEAARN CCOC(=O)C(C[C@@H](C)CC)C(=O)OCC ZINC000039252222 170188307 /nfs/dbraw/zinc/18/83/07/170188307.db2.gz LACBGBCMVQFTSM-VIFPVBQESA-N 0 0 230.304 2.165 50 0 BEAARN CCOC(=O)C(F)(F)c1ccc(C)cn1 ZINC000040448012 170189067 /nfs/dbraw/zinc/18/90/67/170189067.db2.gz GLDYXVMCPYSRND-UHFFFAOYSA-N 0 0 215.199 2.045 50 0 BEAARN CCOC(=O)C=C(O)CC1CCCCC1 ZINC000002518218 170192922 /nfs/dbraw/zinc/19/29/22/170192922.db2.gz OQRIUDRGMXITRM-UHFFFAOYSA-N 0 0 212.289 2.479 50 0 BEAARN CCOC(=O)CC(=O)Nc1ccc(C)cc1C ZINC000004736553 170197397 /nfs/dbraw/zinc/19/73/97/170197397.db2.gz JVPHOWHZKXGLOO-UHFFFAOYSA-N 0 0 235.283 2.195 50 0 BEAARN CCOC(=O)CC1(C)OCC(C)(CC)CO1 ZINC000015767723 170197889 /nfs/dbraw/zinc/19/78/89/170197889.db2.gz CCIRSIGROJNVQW-UHFFFAOYSA-N 0 0 230.304 2.119 50 0 BEAARN CCOC(=O)CCCCCC(=O)OCC ZINC000001758785 170198904 /nfs/dbraw/zinc/19/89/04/170198904.db2.gz LKKOGZVQGQUVHF-UHFFFAOYSA-N 0 0 216.277 2.063 50 0 BEAARN CCOC(=O)CCCc1cccc(O)c1 ZINC000034496993 170203239 /nfs/dbraw/zinc/20/32/39/170203239.db2.gz LAUUBUHMYMXNAO-UHFFFAOYSA-N 0 0 208.257 2.278 50 0 BEAARN CCOC(=O)CCOCc1ccccc1 ZINC000036671017 170210686 /nfs/dbraw/zinc/21/06/86/170210686.db2.gz LVOWOUOVYMJIQJ-UHFFFAOYSA-N 0 0 208.257 2.156 50 0 BEAARN CCOC(=O)CNc1ccc(F)c(Cl)c1 ZINC000001732041 170227413 /nfs/dbraw/zinc/22/74/13/170227413.db2.gz WHKWSCOKPZPNQV-UHFFFAOYSA-N 0 0 231.654 2.454 50 0 BEAARN CCOC(=O)CSc1nc2ccccc2o1 ZINC000000197015 170230197 /nfs/dbraw/zinc/23/01/97/170230197.db2.gz PNLSMEXGDDKKDY-UHFFFAOYSA-N 0 0 237.280 2.483 50 0 BEAARN CCOC(=O)Cc1cc(F)c(F)cc1F ZINC000043503696 170235131 /nfs/dbraw/zinc/23/51/31/170235131.db2.gz BYCOSMGZZNULDT-UHFFFAOYSA-N 0 0 218.174 2.210 50 0 BEAARN CCOC(=O)Cc1cc(F)c(OC)cc1F ZINC000259495934 170235366 /nfs/dbraw/zinc/23/53/66/170235366.db2.gz UBZABIFETANNQI-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1c(F)ccc(OC)c1F ZINC000259914095 170235524 /nfs/dbraw/zinc/23/55/24/170235524.db2.gz GCJJRUYHWNWHIR-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1cn2cc(Cl)ccc2n1 ZINC000009238565 170236306 /nfs/dbraw/zinc/23/63/06/170236306.db2.gz JZTURCHIBDOZFO-UHFFFAOYSA-N 0 0 238.674 2.093 50 0 BEAARN CCOC(=O)Cc1noc(-c2cccc(C)c2)n1 ZINC000071873593 170237232 /nfs/dbraw/zinc/23/72/32/170237232.db2.gz GHXOALMROPCZCQ-UHFFFAOYSA-N 0 0 246.266 2.151 50 0 BEAARN CCOC(=O)Cn1cc(C=O)c2ccccc21 ZINC000000309060 170237881 /nfs/dbraw/zinc/23/78/81/170237881.db2.gz YBKKLZGZHIBOBZ-UHFFFAOYSA-N 0 0 231.251 2.017 50 0 BEAARN CCOC(=O)N1N=C(C)C[C@@]1(O)c1ccccc1 ZINC000000053332 170240884 /nfs/dbraw/zinc/24/08/84/170240884.db2.gz CNMUPARWXWVKCR-CYBMUJFWSA-N 0 0 248.282 2.070 50 0 BEAARN CCOC(=O)Nc1cccc(C(C)=O)c1 ZINC000000116426 170243789 /nfs/dbraw/zinc/24/37/89/170243789.db2.gz MTRQKDPBIMRAFG-UHFFFAOYSA-N 0 0 207.229 2.458 50 0 BEAARN CCOC(=O)N=c1s[nH]c(C)c1C(C)=O ZINC000004218727 170244624 /nfs/dbraw/zinc/24/46/24/170244624.db2.gz JDCAMRDRXRPOOD-UHFFFAOYSA-N 0 0 228.273 2.223 50 0 BEAARN CCOC(=O)[C@@H](C)Cc1ccc(O)c(F)c1 ZINC000091297427 170246477 /nfs/dbraw/zinc/24/64/77/170246477.db2.gz ZAGOMRAXNFCQIK-QMMMGPOBSA-N 0 0 226.247 2.273 50 0 BEAARN CCOC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000000162741 170248234 /nfs/dbraw/zinc/24/82/34/170248234.db2.gz CKUZLPDJOVBVCP-SNVBAGLBSA-N 0 0 208.257 2.325 50 0 BEAARN CCOC(=O)[C@@H](CC)Sc1nc(C)co1 ZINC000225550860 170251296 /nfs/dbraw/zinc/25/12/96/170251296.db2.gz QMRSPOPCIVORAK-MRVPVSSYSA-N 0 0 229.301 2.417 50 0 BEAARN CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1 ZINC000038673895 170258981 /nfs/dbraw/zinc/25/89/81/170258981.db2.gz BJOUEZQMVVKCPC-RYUDHWBXSA-N 0 0 219.284 2.043 50 0 BEAARN CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)N1 ZINC000034080405 170259190 /nfs/dbraw/zinc/25/91/90/170259190.db2.gz BJOUEZQMVVKCPC-NEPJUHHUSA-N 0 0 219.284 2.043 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@@H](C(CC)CC)N1 ZINC000098072909 170259745 /nfs/dbraw/zinc/25/97/45/170259745.db2.gz YZFDGJYGTWXSHY-UWVGGRQHSA-N 0 0 231.361 2.017 50 0 BEAARN CCOC(=O)[C@H](CC)[C@@H](CC)C(=O)OCC ZINC000003074837 170272628 /nfs/dbraw/zinc/27/26/28/170272628.db2.gz PYQDOTSNFYFMQJ-NXEZZACHSA-N 0 0 230.304 2.165 50 0 BEAARN CCOC(=O)[C@H](CC)Sc1ncco1 ZINC000233705264 170272641 /nfs/dbraw/zinc/27/26/41/170272641.db2.gz ACJHGTDKKXTPGQ-ZETCQYMHSA-N 0 0 215.274 2.108 50 0 BEAARN CCOC(=O)C1=C(O)[C@H](c2ccccc2)CC1 ZINC000039020006 170280697 /nfs/dbraw/zinc/28/06/97/170280697.db2.gz LRSQKGAKYUHQNQ-RYUDHWBXSA-N 0 0 232.279 2.312 50 0 BEAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000003901867 170286351 /nfs/dbraw/zinc/28/63/51/170286351.db2.gz VQLLFMATRGJDCH-UHFFFAOYSA-N 0 0 221.256 2.019 50 0 BEAARN CCOC(=O)c1c(C)csc1NC(C)=O ZINC000000478267 170288250 /nfs/dbraw/zinc/28/82/50/170288250.db2.gz ZHBROGDSPSWMPO-UHFFFAOYSA-N 0 0 227.285 2.192 50 0 BEAARN CCOC(=O)c1c(C)c(C(C)=O)sc1N ZINC000000047824 170289018 /nfs/dbraw/zinc/28/90/18/170289018.db2.gz BYBXJRFAEPGDLK-UHFFFAOYSA-N 0 0 227.285 2.018 50 0 BEAARN CCOC(=O)c1c(C)c(C)sc1NC=O ZINC000001237974 170289422 /nfs/dbraw/zinc/28/94/22/170289422.db2.gz AHOKSMVPWZDAFO-UHFFFAOYSA-N 0 0 227.285 2.110 50 0 BEAARN CCOC(=O)c1cc(N)ccc1Br ZINC000040571553 170292457 /nfs/dbraw/zinc/29/24/57/170292457.db2.gz MOZORCINMBZQSL-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1cc2c(cncc2Cl)[nH]1 ZINC000206019534 170293146 /nfs/dbraw/zinc/29/31/46/170293146.db2.gz GKVIEEJBFFRMMG-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1cc2ccccc2cn1 ZINC000014989098 170293593 /nfs/dbraw/zinc/29/35/93/170293593.db2.gz IFSCYCNNAIADLI-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1ccc(Br)o1 ZINC000000399948 170294454 /nfs/dbraw/zinc/29/44/54/170294454.db2.gz GVAPLPBPJARJEY-UHFFFAOYSA-N 0 0 219.034 2.219 50 0 BEAARN CCOC(=O)c1ccc(-n2cccc2C=O)cc1 ZINC000002577248 170294595 /nfs/dbraw/zinc/29/45/95/170294595.db2.gz ADNPMYNBUFWURJ-UHFFFAOYSA-N 0 0 243.262 2.467 50 0 BEAARN CCOC(=O)c1ccc(Br)nc1 ZINC000034364331 170294698 /nfs/dbraw/zinc/29/46/98/170294698.db2.gz NTOOSJSHTQNLKP-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 in-vitro BEAARN CCOC(=O)c1ccc(N(CC)CC)cc1O ZINC000044200240 170296300 /nfs/dbraw/zinc/29/63/00/170296300.db2.gz KZNJVICZZXHPSQ-UHFFFAOYSA-N 0 0 237.299 2.415 50 0 BEAARN CCOC(=O)c1ccc(NC(C)C)c(N)c1 ZINC000041046092 170296536 /nfs/dbraw/zinc/29/65/36/170296536.db2.gz HUFSVBYBODFFDE-UHFFFAOYSA-N 0 0 222.288 2.266 50 0 BEAARN CCOC(=O)c1ccc2scnc2c1 ZINC000039075610 170298382 /nfs/dbraw/zinc/29/83/82/170298382.db2.gz ZSBYCGYHRQGYNA-UHFFFAOYSA-N 0 0 207.254 2.473 50 0 BEAARN CCOC(=O)c1ccc2cnccc2c1 ZINC000090470773 170298727 /nfs/dbraw/zinc/29/87/27/170298727.db2.gz XZSXCFWWZHTJMU-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000000071507 170298910 /nfs/dbraw/zinc/29/89/10/170298910.db2.gz UDUQPOGWJUMYLA-UHFFFAOYSA-N 0 0 230.267 2.423 50 0 BEAARN CCOC(=O)c1ccccc1-n1ccnc1 ZINC000034301882 170299173 /nfs/dbraw/zinc/29/91/73/170299173.db2.gz GKOGBVKQBZZPGT-UHFFFAOYSA-N 0 0 216.240 2.049 50 0 BEAARN CCOC(=O)c1cn2c(cccc2Cl)n1 ZINC000015020344 170300472 /nfs/dbraw/zinc/30/04/72/170300472.db2.gz UDQYTPCGXBXZCE-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1cn2cc(Cl)ccc2n1 ZINC000000480120 170300749 /nfs/dbraw/zinc/30/07/49/170300749.db2.gz JWGKTXNASUZJAQ-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1cn(-c2ccccc2)cn1 ZINC000044138363 170300757 /nfs/dbraw/zinc/30/07/57/170300757.db2.gz HNLVMOBDGJNNJY-UHFFFAOYSA-N 0 0 216.240 2.049 50 0 BEAARN CCOC(=O)c1ccnc2ccccc21 ZINC000001720850 170300995 /nfs/dbraw/zinc/30/09/95/170300995.db2.gz FJWYVZDPWAPMGN-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1cn(C)cc1C(F)(F)F ZINC000032911372 170301124 /nfs/dbraw/zinc/30/11/24/170301124.db2.gz VGVLPDQUSSTVGL-UHFFFAOYSA-N 0 0 221.178 2.221 50 0 BEAARN CCOC(=O)c1cnc(Br)s1 ZINC000000407931 170301823 /nfs/dbraw/zinc/30/18/23/170301823.db2.gz KTYIFXLNIMPSKI-UHFFFAOYSA-N 0 0 236.090 2.082 50 0 BEAARN CCOC(=O)c1cnc(C2CC2)nc1Cl ZINC000096311419 170301919 /nfs/dbraw/zinc/30/19/19/170301919.db2.gz TVSRPYXFKHJLDU-UHFFFAOYSA-N 0 0 226.663 2.184 50 0 BEAARN CCOC(=O)c1cnn(-c2ccccc2)c1C ZINC000000131838 170303847 /nfs/dbraw/zinc/30/38/47/170303847.db2.gz XYIOIOHRWLZCDM-UHFFFAOYSA-N 0 0 230.267 2.357 50 0 in-vitro BEAARN CCOC(=O)c1nn(-c2ccc(C)cc2)cc1O ZINC000000142836 170309166 /nfs/dbraw/zinc/30/91/66/170309166.db2.gz RSZMACLXIVZQTD-UHFFFAOYSA-N 0 0 246.266 2.063 50 0 BEAARN CCOC(=O)c1sc(N)nc1C(C)(C)C ZINC000000343106 170310307 /nfs/dbraw/zinc/31/03/07/170310307.db2.gz FHWBJUACHJHCLH-UHFFFAOYSA-N 0 0 228.317 2.200 50 0 BEAARN CCOC(CNc1ccccc1)OCC ZINC000002510113 170316175 /nfs/dbraw/zinc/31/61/75/170316175.db2.gz DHGUGEBXVGPRRD-UHFFFAOYSA-N 0 0 209.289 2.498 50 0 BEAARN CCOCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000097055459 170346062 /nfs/dbraw/zinc/34/60/62/170346062.db2.gz ASAYBBAIOLSNKU-NHYWBVRUSA-N 0 0 247.338 2.381 50 0 BEAARN CCOCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000004659311 170346744 /nfs/dbraw/zinc/34/67/44/170346744.db2.gz AHOZVBKYRRNWPZ-CYBMUJFWSA-N 0 0 233.311 2.217 50 0 BEAARN CCOCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002842967 170348384 /nfs/dbraw/zinc/34/83/84/170348384.db2.gz CONONYUSHBIASH-UHFFFAOYSA-N 0 0 231.654 2.454 50 0 BEAARN CCOCC(=O)O[C@@H]1CCc2ccccc2C1 ZINC000071803842 170350408 /nfs/dbraw/zinc/35/04/08/170350408.db2.gz IKFGIACMTBWNRR-CYBMUJFWSA-N 0 0 234.295 2.124 50 0 BEAARN CCOCCC(=O)Nc1ccc(Cl)cn1 ZINC000004384624 170362916 /nfs/dbraw/zinc/36/29/16/170362916.db2.gz OEPBGMZTFTUWTD-UHFFFAOYSA-N 0 0 228.679 2.100 50 0 BEAARN CCOCCCCNC(=O)OC(C)(C)C ZINC000036379594 170368376 /nfs/dbraw/zinc/36/83/76/170368376.db2.gz YDGMXFYCJMCVQX-UHFFFAOYSA-N 0 0 217.309 2.328 50 0 BEAARN CCOCCCNC(=O)c1ccc(F)c(F)c1 ZINC000016650236 170379976 /nfs/dbraw/zinc/37/99/76/170379976.db2.gz BUJDKMJNAODAPI-UHFFFAOYSA-N 0 0 243.253 2.121 50 0 BEAARN CCONC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000048324725 170468318 /nfs/dbraw/zinc/46/83/18/170468318.db2.gz PLDKEUMNXBDNMY-VHSXEESVSA-N 0 0 211.305 2.293 50 0 BEAARN CCONC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000012736427 170469203 /nfs/dbraw/zinc/46/92/03/170469203.db2.gz NUONQGBDEYTFPC-UHFFFAOYSA-N 0 0 232.283 2.466 50 0 BEAARN CCOc1cc(C(=O)NC(C)C)ccc1OC ZINC000017300372 170517301 /nfs/dbraw/zinc/51/73/01/170517301.db2.gz ZTGWRUJHYWZERR-UHFFFAOYSA-N 0 0 237.299 2.232 50 0 BEAARN CCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000002566810 170535128 /nfs/dbraw/zinc/53/51/28/170535128.db2.gz GIRVZKMQGSXZKT-JXMROGBWSA-N 0 0 249.291 2.409 50 0 BEAARN CCOc1ccc(C(=O)Nc2ccn(C)n2)cc1 ZINC000022475690 170538075 /nfs/dbraw/zinc/53/80/75/170538075.db2.gz FPFSOFMPPLGRHB-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CCOc1cccc2c(=O)cc(C)[nH]c12 ZINC000012412402 170586833 /nfs/dbraw/zinc/58/68/33/170586833.db2.gz UMUSNRVQVVDWFV-UHFFFAOYSA-N 0 0 203.241 2.235 50 0 BEAARN CCOc1ccccc1NC(=O)[C@H]1CC[C@@H](O)C1 ZINC000170090648 170595135 /nfs/dbraw/zinc/59/51/35/170595135.db2.gz KDPGSLNDWUTWNG-WDEREUQCSA-N 0 0 249.310 2.185 50 0 BEAARN CC[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000055276258 170680736 /nfs/dbraw/zinc/68/07/36/170680736.db2.gz JHIXCTOJMBCALG-SECBINFHSA-N 0 0 209.264 2.488 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc2[nH]cnc2c1 ZINC000012544450 170748691 /nfs/dbraw/zinc/74/86/91/170748691.db2.gz AATFLHCALQSJFA-MRVPVSSYSA-N 0 0 217.272 2.091 50 0 BEAARN CC[C@@H](C)Sc1nnnn1CC(F)(F)F ZINC000077935620 170768060 /nfs/dbraw/zinc/76/80/60/170768060.db2.gz VWYJMEFADUAKOV-RXMQYKEDSA-N 0 0 240.254 2.126 50 0 BEAARN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000252523233 171030614 /nfs/dbraw/zinc/03/06/14/171030614.db2.gz CDBVQSYKHWIQOT-ZDEQEGDKSA-N 0 0 239.359 2.496 50 0 BEAARN CC[C@@]1(C)NC(=O)N(c2cccc(C)c2)N1 ZINC000015867865 171209324 /nfs/dbraw/zinc/20/93/24/171209324.db2.gz ZXYKMLVKTSZKEP-LBPRGKRZSA-N 0 0 219.288 2.155 50 0 BEAARN CC[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000001480332 171227465 /nfs/dbraw/zinc/22/74/65/171227465.db2.gz BRLNPWGINYASHE-LBPRGKRZSA-N 0 0 203.285 2.459 50 0 BEAARN CC[C@H](C)C(=O)NC1(C(=O)OC)CCCCC1 ZINC000058330939 171249905 /nfs/dbraw/zinc/24/99/05/171249905.db2.gz BVBSUMOBAMCISY-JTQLQIEISA-N 0 0 241.331 2.025 50 0 BEAARN CC[C@H](C)C(=O)NCCc1cccc(OC)c1 ZINC000048300503 171250646 /nfs/dbraw/zinc/25/06/46/171250646.db2.gz KWZDHDMWJKZDAC-NSHDSACASA-N 0 0 235.327 2.400 50 0 BEAARN CC[C@H](C)N(CC)C(=O)c1ccc2n[nH]nc2c1 ZINC000067868782 171312252 /nfs/dbraw/zinc/31/22/52/171312252.db2.gz FNMDZRSPJNTWQN-VIFPVBQESA-N 0 0 246.314 2.219 50 0 BEAARN CC[C@H](C)NC(=O)NCc1ccccc1F ZINC000000137448 171329872 /nfs/dbraw/zinc/32/98/72/171329872.db2.gz ARMXDKJGRRJJKC-VIFPVBQESA-N 0 0 224.279 2.423 50 0 BEAARN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000004666635 171332360 /nfs/dbraw/zinc/33/23/60/171332360.db2.gz ZFPRNEXAIAVPKN-WDEREUQCSA-N 0 0 221.300 2.369 50 0 BEAARN CC[C@H](C)NC(=O)c1cc2ccccc2oc1=O ZINC000003135977 171336780 /nfs/dbraw/zinc/33/67/80/171336780.db2.gz RWKZGPRCOQDPKD-VIFPVBQESA-N 0 0 245.278 2.321 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc2nccnc2c1 ZINC000004820302 171336973 /nfs/dbraw/zinc/33/69/73/171336973.db2.gz JGBFNIZIPMBGAU-VIFPVBQESA-N 0 0 229.283 2.158 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000021540979 171337203 /nfs/dbraw/zinc/33/72/03/171337203.db2.gz VVDQSLVUXIMRQZ-QMMMGPOBSA-N 0 0 217.272 2.091 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000007307824 171344706 /nfs/dbraw/zinc/34/47/06/171344706.db2.gz BTVSCCOSHOIOFX-NSHDSACASA-N 0 0 241.356 2.380 50 0 BEAARN CC[C@H](C)Nc1c(=O)c(=O)c1-c1ccccc1 ZINC000006749110 171349925 /nfs/dbraw/zinc/34/99/25/171349925.db2.gz HKHGIPRARSRJEX-VIFPVBQESA-N 0 0 229.279 2.160 50 0 BEAARN CC[C@H](C)Sc1nnc(NC(C)=O)s1 ZINC000006702062 171357973 /nfs/dbraw/zinc/35/79/73/171357973.db2.gz DAQSYXGFPCCMPD-YFKPBYRVSA-N 0 0 231.346 2.387 50 0 BEAARN CC[C@H](C)[C@@H](OC)C(=O)Nc1nc(C)cs1 ZINC000331036077 171381352 /nfs/dbraw/zinc/38/13/52/171381352.db2.gz NANNIWCFNZHGGS-IONNQARKSA-N 0 0 242.344 2.451 50 0 BEAARN CC[C@H](C)n1ncc2c1[nH]c(=O)cc2C ZINC000012505317 171418363 /nfs/dbraw/zinc/41/83/63/171418363.db2.gz BLWGJZHWFQZNJY-QMMMGPOBSA-N 0 0 205.261 2.004 50 0 BEAARN CC[C@H](CO)NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299851 171447758 /nfs/dbraw/zinc/44/77/58/171447758.db2.gz WDWTVHQHSBAQRS-SECBINFHSA-N 0 0 247.298 2.060 50 0 BEAARN CC[C@H](NC(=O)COC)c1ccc(C)cc1 ZINC000044867144 171498423 /nfs/dbraw/zinc/49/84/23/171498423.db2.gz GOQOOOLHLYKMGW-LBPRGKRZSA-N 0 0 221.300 2.209 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1ccncc1 ZINC000003079267 171606769 /nfs/dbraw/zinc/60/67/69/171606769.db2.gz CVWXSKOMZXTDAA-LBPRGKRZSA-N 0 0 218.300 2.486 50 0 BEAARN CC[C@H]1c2ccsc2CCN1C(=O)COC ZINC000032781329 171689223 /nfs/dbraw/zinc/68/92/23/171689223.db2.gz UMDSHPPGSXCPRG-JTQLQIEISA-N 0 0 239.340 2.230 50 0 BEAARN CC[C@](C)(CO)NC(=O)c1ccc(F)cc1C ZINC000097081764 171695074 /nfs/dbraw/zinc/69/50/74/171695074.db2.gz PTYZNSLMXLHLHD-CYBMUJFWSA-N 0 0 239.290 2.025 50 0 BEAARN CC[C@]1(C)Cc2ccccc2C(=CC(=O)NC)N1 ZINC000100748691 171721596 /nfs/dbraw/zinc/72/15/96/171721596.db2.gz CFXIRKHVEORDTD-BMQCOBNYSA-N 0 0 244.338 2.088 50 0 biogenic BEAARN CCc1csc([C@H]2CCCN(C(C)=O)C2)n1 ZINC000064554949 171934065 /nfs/dbraw/zinc/93/40/65/171934065.db2.gz UTZAYIJBINQWGM-JTQLQIEISA-N 0 0 238.356 2.431 50 0 BEAARN CCc1nc(CN2CCOC[C@@H]2CC)cs1 ZINC000077425835 171979697 /nfs/dbraw/zinc/97/96/97/171979697.db2.gz XBXVMINAUPJDNA-NSHDSACASA-N 0 0 240.372 2.316 50 0 BEAARN CCc1nc([C@@H]2CCCO2)sc1C(=O)OC ZINC000136489060 172004081 /nfs/dbraw/zinc/00/40/81/172004081.db2.gz JIRGPAHPKFWLGB-QMMMGPOBSA-N 0 0 241.312 2.344 50 0 BEAARN CCc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000008781885 172012876 /nfs/dbraw/zinc/01/28/76/172012876.db2.gz BYEIKHNNWWDXKI-UHFFFAOYSA-N 0 0 239.296 2.184 50 0 BEAARN CCc1nc2nccc(-c3ccc(F)cc3)n2n1 ZINC000067320721 172015332 /nfs/dbraw/zinc/01/53/32/172015332.db2.gz XXUONGJMEBBXES-UHFFFAOYSA-N 0 0 242.257 2.493 50 0 BEAARN CCc1ncc(CNC(=O)[C@H]2CC=CCC2)o1 ZINC000331317728 172017326 /nfs/dbraw/zinc/01/73/26/172017326.db2.gz DIGPCCOOWOYHOK-JTQLQIEISA-N 0 0 234.299 2.210 50 0 BEAARN CCc1nccn1Cc1noc(-c2ccco2)n1 ZINC000065288331 172027455 /nfs/dbraw/zinc/02/74/55/172027455.db2.gz CYNDPSHQEVPPIS-UHFFFAOYSA-N 0 0 244.254 2.137 50 0 BEAARN CCc1nn(C)c(CC)c1C(=O)N1CCCCC1 ZINC000035980931 172038123 /nfs/dbraw/zinc/03/81/23/172038123.db2.gz FSDCWPJOTCTNFK-UHFFFAOYSA-N 0 0 249.358 2.171 50 0 BEAARN CCc1nnc(-c2ccc(C=O)cc2)o1 ZINC000071789964 172044954 /nfs/dbraw/zinc/04/49/54/172044954.db2.gz GOCQSPCAXCEKNX-UHFFFAOYSA-N 0 0 202.213 2.112 50 0 BEAARN CCc1nnc(-c2c(Cl)c(CC)nn2C)o1 ZINC000039121560 172045449 /nfs/dbraw/zinc/04/54/49/172045449.db2.gz MWNAVMOJYVEOBP-UHFFFAOYSA-N 0 0 240.694 2.248 50 0 BEAARN CCc1nnc(CSc2nc(C)co2)o1 ZINC000188467984 172055301 /nfs/dbraw/zinc/05/53/01/172055301.db2.gz NMPSEXVSCCRCMR-UHFFFAOYSA-N 0 0 225.273 2.221 50 0 BEAARN CCc1nnc(NC(=O)C(C)(C)C)s1 ZINC000000064470 172056665 /nfs/dbraw/zinc/05/66/65/172056665.db2.gz WAMGKKRKPUPJEW-UHFFFAOYSA-N 0 0 213.306 2.085 50 0 BEAARN CCc1nnc(NC(=O)C[C@@H]2C=CCC2)s1 ZINC000019680443 172057555 /nfs/dbraw/zinc/05/75/55/172057555.db2.gz HIXSXXZOKKSXGZ-MRVPVSSYSA-N 0 0 237.328 2.395 50 0 BEAARN CCc1nnc(NC(=O)CC(C)(C)C)s1 ZINC000000795805 172057600 /nfs/dbraw/zinc/05/76/00/172057600.db2.gz JXHDTKDYKQGAFX-UHFFFAOYSA-N 0 0 227.333 2.475 50 0 BEAARN CCc1nnc(NCC2(C)CCOCC2)s1 ZINC000158663716 172058691 /nfs/dbraw/zinc/05/86/91/172058691.db2.gz GDNSSCDHCIGERW-UHFFFAOYSA-N 0 0 241.360 2.329 50 0 BEAARN CCC1N=NC(=S)N1c1cccc(C(C)=O)c1 ZINC000006395591 172061882 /nfs/dbraw/zinc/06/18/82/172061882.db2.gz AZDLQWSRUBQWLU-UHFFFAOYSA-N 0 0 247.323 2.321 50 0 BEAARN CCc1nnc(S[C@@H](C)C(F)(F)F)n1C ZINC000095427490 172063573 /nfs/dbraw/zinc/06/35/73/172063573.db2.gz UOWHFCNIXMUFID-YFKPBYRVSA-N 0 0 239.266 2.420 50 0 BEAARN CCc1nnsc1C(=O)NC1CCCCC1 ZINC000024975991 172069682 /nfs/dbraw/zinc/06/96/82/172069682.db2.gz MGLVTOPTPZXHGW-UHFFFAOYSA-N 0 0 239.344 2.163 50 0 BEAARN CCc1nnsc1C(=O)NCC1CCCC1 ZINC000046617444 172069866 /nfs/dbraw/zinc/06/98/66/172069866.db2.gz RRHQKEVWLXOSPX-UHFFFAOYSA-N 0 0 239.344 2.021 50 0 BEAARN CCc1nnsc1C(=O)N1CCCCCC1 ZINC000052928954 172070367 /nfs/dbraw/zinc/07/03/67/172070367.db2.gz NRHBTIYMOIVZNW-UHFFFAOYSA-N 0 0 239.344 2.117 50 0 BEAARN CCc1noc(-c2nc(-c3ccccc3)no2)n1 ZINC000098212370 172072663 /nfs/dbraw/zinc/07/26/63/172072663.db2.gz HVYZEVOZMKCPIX-UHFFFAOYSA-N 0 0 242.238 2.349 50 0 BEAARN CCc1noc(C)c1C(=O)N1CCCCC1 ZINC000016604374 172074106 /nfs/dbraw/zinc/07/41/06/172074106.db2.gz MIJIZQBVDGQWLG-UHFFFAOYSA-N 0 0 222.288 2.172 50 0 BEAARN CCc1noc([C@@H](C)Sc2ncc[nH]2)n1 ZINC000078931876 172089356 /nfs/dbraw/zinc/08/93/56/172089356.db2.gz DEBCGJJHNZQYMI-ZCFIWIBFSA-N 0 0 224.289 2.208 50 0 BEAARN CCc1sc(C(=O)NC)cc1Br ZINC000001054001 172128664 /nfs/dbraw/zinc/12/86/64/172128664.db2.gz DUJGOROKILUNCM-UHFFFAOYSA-N 0 0 248.145 2.433 50 0 BEAARN CCn1c2ccc(F)cc2s/c1=N\C(C)=O ZINC000002641990 172129853 /nfs/dbraw/zinc/12/98/53/172129853.db2.gz MWSIIDSRPBBAQJ-QBFSEMIESA-N 0 0 238.287 2.309 50 0 BEAARN CCn1c(=S)[nH]nc1-c1nn(C)cc1Cl ZINC000006519996 172130931 /nfs/dbraw/zinc/13/09/31/172130931.db2.gz COKQJJWRZPSSLN-UHFFFAOYSA-N 0 0 243.723 2.014 50 0 BEAARN CCn1c2ccc(NC(C)=O)cc2sc1=O ZINC000000210967 172133596 /nfs/dbraw/zinc/13/35/96/172133596.db2.gz SYGIQGKBWBGHLU-UHFFFAOYSA-N 0 0 236.296 2.041 50 0 BEAARN CCn1c2ccccc2nc1NC(C)=O ZINC000000845899 172146662 /nfs/dbraw/zinc/14/66/62/172146662.db2.gz CTAOPYAHPUKQBH-UHFFFAOYSA-N 0 0 203.245 2.015 50 0 BEAARN CCN1C(=S)N=NC1COc1ccccc1C ZINC000002522229 172147451 /nfs/dbraw/zinc/14/74/51/172147451.db2.gz SKWYYPGBQTZOQF-UHFFFAOYSA-N 0 0 249.339 2.474 50 0 BEAARN CCn1cc(C(=O)C(Cl)(Cl)Cl)cn1 ZINC000066324303 172150918 /nfs/dbraw/zinc/15/09/18/172150918.db2.gz QDIXKHGSELEOPB-UHFFFAOYSA-N 0 0 241.505 2.456 50 0 BEAARN CCn1cc(C(=O)NC2CCCCC2)c(C)n1 ZINC000028575431 172154534 /nfs/dbraw/zinc/15/45/34/172154534.db2.gz CWZXVBFLKXFJGV-UHFFFAOYSA-N 0 0 235.331 2.274 50 0 BEAARN CCn1cc(C(=O)Nc2ccc(C)c(O)c2)cn1 ZINC000095418182 172156340 /nfs/dbraw/zinc/15/63/40/172156340.db2.gz MHBQQBVBXIEJJZ-UHFFFAOYSA-N 0 0 245.282 2.169 50 0 BEAARN CCn1cc(NC(=O)C[C@@H]2C=CCC2)ccc1=O ZINC000047181529 172180004 /nfs/dbraw/zinc/18/00/04/172180004.db2.gz LPXDESHSFRVYSL-LLVKDONJSA-N 0 0 246.310 2.163 50 0 BEAARN CCn1cc(NC(=O)c2ccccc2C)cn1 ZINC000058342717 172183860 /nfs/dbraw/zinc/18/38/60/172183860.db2.gz NJKAEQUXQBIFMV-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CCn1cc(NC(=O)c2ccc(OC)cc2)cn1 ZINC000058328130 172184497 /nfs/dbraw/zinc/18/44/97/172184497.db2.gz MLVXZQKOXHFTHT-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN CCn1cc(OCc2nccn2C(F)F)cn1 ZINC000184754353 172191653 /nfs/dbraw/zinc/19/16/53/172191653.db2.gz HZWFYJBKISFPBY-UHFFFAOYSA-N 0 0 242.229 2.074 50 0 BEAARN CCn1ccc(NC(=O)c2ccccc2)n1 ZINC000064555549 172201621 /nfs/dbraw/zinc/20/16/21/172201621.db2.gz PXKFGRSHVIQUSY-UHFFFAOYSA-N 0 0 215.256 2.155 50 0 BEAARN CCn1ccnc1[C@@H](O)c1ccc(C)cc1 ZINC000000170054 172229264 /nfs/dbraw/zinc/22/92/64/172229264.db2.gz WBDBFZLDNIDNKH-LBPRGKRZSA-N 0 0 216.284 2.293 50 0 BEAARN CCn1cnc2cc(NC(C)=O)ccc21 ZINC000000549156 172232723 /nfs/dbraw/zinc/23/27/23/172232723.db2.gz QJSQSTQRVUAJKS-UHFFFAOYSA-N 0 0 203.245 2.015 50 0 BEAARN CCn1nc(C)c(C(=O)C(F)(F)F)c1C ZINC000072209507 172241994 /nfs/dbraw/zinc/24/19/94/172241994.db2.gz BOYGYIATQWDUMX-UHFFFAOYSA-N 0 0 220.194 2.265 50 0 BEAARN CCn1nc(C)c2nc(C)nc(NC(C)C)c21 ZINC000057312579 172249349 /nfs/dbraw/zinc/24/93/49/172249349.db2.gz GNZYIRXNJDEENR-UHFFFAOYSA-N 0 0 233.319 2.283 50 0 BEAARN CN(C(=O)COc1ccccc1)c1ccccn1 ZINC000078386029 172312863 /nfs/dbraw/zinc/31/28/63/172312863.db2.gz GSOHYKLVBCTATC-UHFFFAOYSA-N 0 0 242.278 2.123 50 0 BEAARN CN(C(=O)Nc1cn[nH]c1)C(C1CC1)C1CC1 ZINC000051191559 172323883 /nfs/dbraw/zinc/32/38/83/172323883.db2.gz DUCOSUILZPXPTA-UHFFFAOYSA-N 0 0 234.303 2.062 50 0 BEAARN CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1O ZINC000095942557 172325054 /nfs/dbraw/zinc/32/50/54/172325054.db2.gz SYCPWHUVXAZZPW-NXEZZACHSA-N 0 0 229.320 2.157 50 0 BEAARN CN(C(=O)c1cnccn1)C1CCCCCC1 ZINC000040477556 172346812 /nfs/dbraw/zinc/34/68/12/172346812.db2.gz WARDTEKLWFUDKJ-UHFFFAOYSA-N 0 0 233.315 2.271 50 0 BEAARN CN(C)/C=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000066112362 172350566 /nfs/dbraw/zinc/35/05/66/172350566.db2.gz JROITAAGUGWVPQ-TWGQIWQCSA-N 0 0 222.675 2.195 50 0 BEAARN CN(C)C(=O)CCc1ccc2cc[nH]c2c1 ZINC000075337122 172361801 /nfs/dbraw/zinc/36/18/01/172361801.db2.gz UYCXCCZXKRFIEW-UHFFFAOYSA-N 0 0 216.284 2.189 50 0 BEAARN CN(C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000101125 172372959 /nfs/dbraw/zinc/37/29/59/172372959.db2.gz LSSITOHPZHLFFS-UHFFFAOYSA-N 0 0 235.327 2.451 50 0 BEAARN CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC000032759899 172386015 /nfs/dbraw/zinc/38/60/15/172386015.db2.gz YOWLFTMCSSZGOE-LBPRGKRZSA-N 0 0 203.285 2.195 50 0 BEAARN CN(C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000012869789 172388552 /nfs/dbraw/zinc/38/85/52/172388552.db2.gz FWRWIVFNGAFEPI-UHFFFAOYSA-N 0 0 206.220 2.009 50 0 BEAARN CN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC000061470786 172391057 /nfs/dbraw/zinc/39/10/57/172391057.db2.gz LUFXCQJVGNMWAH-UHFFFAOYSA-N 0 0 214.268 2.179 50 0 BEAARN C[NH+](C)[C@@](C)(C(=O)[O-])c1cccc(Cl)c1 ZINC000037357923 172531987 /nfs/dbraw/zinc/53/19/87/172531987.db2.gz NIVNKZDEKMEUJP-LLVKDONJSA-N 0 0 227.691 2.201 50 0 BEAARN CN(CCO)C(=O)Nc1cccc2ccccc21 ZINC000006625337 172751106 /nfs/dbraw/zinc/75/11/06/172751106.db2.gz YIVZCLLDOSYUKS-UHFFFAOYSA-N 0 0 244.294 2.296 50 0 BEAARN CN(Cc1nccs1)c1ncccc1F ZINC000301587171 172934840 /nfs/dbraw/zinc/93/48/40/172934840.db2.gz RQDAOLHZUMVONO-UHFFFAOYSA-N 0 0 223.276 2.314 50 0 BEAARN CN(N)Cc1c(Cl)cccc1Cl ZINC000071773264 172941172 /nfs/dbraw/zinc/94/11/72/172941172.db2.gz RIDAEXZEEQGZQV-UHFFFAOYSA-N 0 0 205.088 2.299 50 0 BEAARN CN1C(=N)NC(=O)C1=Cc1ccc(F)cc1 ZINC000009332405 172958167 /nfs/dbraw/zinc/95/81/67/172958167.db2.gz AHUGKSXWZCATKY-RMKNXTFCSA-N 0 0 219.219 2.003 50 0 BEAARN C[NH+]1CCC(c2ccc(C(=O)[O-])cc2)CC1 ZINC000071245529 173000727 /nfs/dbraw/zinc/00/07/27/173000727.db2.gz NOFWSNMLTCIWPD-UHFFFAOYSA-N 0 0 219.284 2.194 50 0 BEAARN CN1CCCC[C@H]1c1cncc(Cl)n1 ZINC000072344240 173009173 /nfs/dbraw/zinc/00/91/73/173009173.db2.gz HOKLGQMSYIAMRK-VIFPVBQESA-N 0 0 211.696 2.287 50 0 BEAARN CN1CCCCc2c(=O)c3ccccc3[nH]c21 ZINC000003832755 173010273 /nfs/dbraw/zinc/01/02/73/173010273.db2.gz YHPZUZDHZKYWQX-UHFFFAOYSA-N 0 0 228.295 2.301 50 0 BEAARN CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000089385662 173108680 /nfs/dbraw/zinc/10/86/80/173108680.db2.gz CNEZNODSSKVUQS-NSHDSACASA-N 0 0 211.692 2.343 50 0 BEAARN CN1CC[C@H](SC2CCCCC2)C1=O ZINC000089375046 173156731 /nfs/dbraw/zinc/15/67/31/173156731.db2.gz PRWLYDLXCDSJGF-JTQLQIEISA-N 0 0 213.346 2.283 50 0 BEAARN CN1Cc2cc(Br)ccc2OC1=O ZINC000003851259 173199530 /nfs/dbraw/zinc/19/95/30/173199530.db2.gz RDZNJVWTLNPLDB-UHFFFAOYSA-N 0 0 242.072 2.393 50 0 BEAARN CN1O[C@@H]2CCCC(=O)[C@H]2[C@H]1c1ccccc1 ZINC000248021278 173205559 /nfs/dbraw/zinc/20/55/59/173205559.db2.gz FFOMFRWPMNYVMA-MGPQQGTHSA-N 0 0 231.295 2.343 50 0 BEAARN CNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000032999467 173223204 /nfs/dbraw/zinc/22/32/04/173223204.db2.gz QQJNPKQRIKANJJ-UHFFFAOYSA-N 0 0 221.275 2.384 50 0 BEAARN CNC(=O)CCc1ccccc1OC(F)(F)F ZINC000066607689 173262966 /nfs/dbraw/zinc/26/29/66/173262966.db2.gz MPXVIKVVRMMRGL-UHFFFAOYSA-N 0 0 247.216 2.264 50 0 BEAARN CNC(=O)COc1cccc(OC2CCCC2)c1 ZINC000095939563 173279371 /nfs/dbraw/zinc/27/93/71/173279371.db2.gz XFKKKCPRCPJFFM-UHFFFAOYSA-N 0 0 249.310 2.133 50 0 BEAARN CNC(=O)COc1ccccc1-c1ccccc1 ZINC000005392423 173279508 /nfs/dbraw/zinc/27/95/08/173279508.db2.gz JRGZQLPTCCLOMU-UHFFFAOYSA-N 0 0 241.290 2.478 50 0 BEAARN CNC(=O)CSCc1cccc(Cl)c1 ZINC000040160363 173280050 /nfs/dbraw/zinc/28/00/50/173280050.db2.gz DBUGMVRAUPRYSY-UHFFFAOYSA-N 0 0 229.732 2.319 50 0 BEAARN CNC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000084661200 173284302 /nfs/dbraw/zinc/28/43/02/173284302.db2.gz KHNCMXNPIVFBPK-MRVPVSSYSA-N 0 0 208.261 2.144 50 0 BEAARN CNC(=O)Nc1cccc2c(O)cccc12 ZINC000000402033 173293013 /nfs/dbraw/zinc/29/30/13/173293013.db2.gz GXCCXAMCSXDUMB-UHFFFAOYSA-N 0 0 216.240 2.297 50 0 BEAARN CNC(=O)Nc1ccc2nc(C)sc2c1 ZINC000000479778 173293109 /nfs/dbraw/zinc/29/31/09/173293109.db2.gz UWYUXHMZQUHAKU-UHFFFAOYSA-N 0 0 221.285 2.356 50 0 BEAARN CNC(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000012909815 173295982 /nfs/dbraw/zinc/29/59/82/173295982.db2.gz AWIDIFRURSAVSO-SECBINFHSA-N 0 0 209.314 2.222 50 0 BEAARN CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000058342434 173300076 /nfs/dbraw/zinc/30/00/76/173300076.db2.gz XYXPDHMUPJSMRW-NXEZZACHSA-N 0 0 209.676 2.190 50 0 BEAARN CNC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000095404072 173308365 /nfs/dbraw/zinc/30/83/65/173308365.db2.gz PNPLLXYCHPWYRE-OCCSQVGLSA-N 0 0 215.296 2.027 50 0 BEAARN CNC(=O)c1cc(-n2ccc(C)n2)ccc1Cl ZINC000065408681 173309151 /nfs/dbraw/zinc/30/91/51/173309151.db2.gz GZRKXUFMOBYCHF-UHFFFAOYSA-N 0 0 249.701 2.194 50 0 BEAARN CNC(=O)c1cc(Br)ccc1C ZINC000059859312 173309446 /nfs/dbraw/zinc/30/94/46/173309446.db2.gz HQMSFKCYMRDNAE-UHFFFAOYSA-N 0 0 228.089 2.117 50 0 BEAARN CNC(=O)c1cc2cc(C)ccc2nc1C ZINC000032855772 173310133 /nfs/dbraw/zinc/31/01/33/173310133.db2.gz GYXQTSPQVQFOPL-UHFFFAOYSA-N 0 0 214.268 2.211 50 0 BEAARN CNC(=O)c1cccc(-c2ccccc2O)c1 ZINC000065340045 173311492 /nfs/dbraw/zinc/31/14/92/173311492.db2.gz JBBYQHJOOZFEJX-UHFFFAOYSA-N 0 0 227.263 2.419 50 0 BEAARN CNC(=O)c1cccnc1C1=CCCCC1 ZINC000097515131 173312109 /nfs/dbraw/zinc/31/21/09/173312109.db2.gz IMAVOHDIAUNAOT-UHFFFAOYSA-N 0 0 216.284 2.399 50 0 BEAARN CNC(=O)c1cnc(/C=C\c2cccnc2)s1 ZINC000207599927 173313458 /nfs/dbraw/zinc/31/34/58/173313458.db2.gz CCGRYSVRLJIRBA-PLNGDYQASA-N 0 0 245.307 2.068 50 0 BEAARN CNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 ZINC000004839865 173314677 /nfs/dbraw/zinc/31/46/77/173314677.db2.gz ZCKJRJPYTYSCIQ-UHFFFAOYSA-N 0 0 235.283 2.103 50 0 BEAARN CNC(=O)c1sc(-c2ccoc2)nc1C ZINC000069780432 173315389 /nfs/dbraw/zinc/31/53/89/173315389.db2.gz BUBFLVMXUCBMTG-UHFFFAOYSA-N 0 0 222.269 2.071 50 0 BEAARN CNC(=S)Nc1ccc(Cl)cc1 ZINC000000075394 173316939 /nfs/dbraw/zinc/31/69/39/173316939.db2.gz UKOJOHPYEVWPNN-UHFFFAOYSA-N 0 0 200.694 2.256 50 0 BEAARN COC(=O)C1(c2ccc(C=O)cc2)CC=CC1 ZINC000044124298 173515389 /nfs/dbraw/zinc/51/53/89/173515389.db2.gz QFABYVXNLFWZCV-UHFFFAOYSA-N 0 0 230.263 2.260 50 0 BEAARN COC(=O)C12CC(c3ccccc3)(C1)C2 ZINC000196234993 173517244 /nfs/dbraw/zinc/51/72/44/173517244.db2.gz RXQCXJUDDTUYLI-UHFFFAOYSA-N 0 0 202.253 2.281 50 0 BEAARN COC(=O)CN(C)Cc1ccc(SC)cc1 ZINC000040465939 173577409 /nfs/dbraw/zinc/57/74/09/173577409.db2.gz LUACLWKWJKXBLW-UHFFFAOYSA-N 0 0 239.340 2.013 50 0 BEAARN COC(=O)CSc1cc(F)ccc1F ZINC000037374898 173616489 /nfs/dbraw/zinc/61/64/89/173616489.db2.gz WRJMYQMDNABLFW-UHFFFAOYSA-N 0 0 218.224 2.230 50 0 BEAARN COC(=O)C[C@@]1(C)OC[C@@H](c2ccccc2)O1 ZINC000003080805 173629760 /nfs/dbraw/zinc/62/97/60/173629760.db2.gz QXKDHNLUWGBVBK-AAEUAGOBSA-N 0 0 236.267 2.054 50 0 BEAARN COC(=O)C[C@H](C)OCc1ccccc1 ZINC000035740470 173634537 /nfs/dbraw/zinc/63/45/37/173634537.db2.gz JXBBMSDQNOELFF-JTQLQIEISA-N 0 0 208.257 2.155 50 0 BEAARN COC(=O)Cc1c(C)[nH]c2ccc(OC)cc21 ZINC000000134584 173639682 /nfs/dbraw/zinc/63/96/82/173639682.db2.gz JYUNCKSXPPDNRM-UHFFFAOYSA-N 0 0 233.267 2.200 50 0 in-vitro BEAARN COC(=O)Cc1ccc(-c2cccnc2)cc1 ZINC000095082179 173642072 /nfs/dbraw/zinc/64/20/72/173642072.db2.gz JGMFKXOIKBNSOF-UHFFFAOYSA-N 0 0 227.263 2.464 50 0 BEAARN COC(=O)Cc1ccccc1Br ZINC000006731807 173643320 /nfs/dbraw/zinc/64/33/20/173643320.db2.gz AMVCFIFDMKEIRE-UHFFFAOYSA-N 0 0 229.073 2.165 50 0 BEAARN COC(=O)Nc1sc(N)nc1-c1ccco1 ZINC000027015870 173663745 /nfs/dbraw/zinc/66/37/45/173663745.db2.gz BUNFYKYWTIULKO-UHFFFAOYSA-N 0 0 239.256 2.164 50 0 BEAARN COC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000006763250 173789620 /nfs/dbraw/zinc/78/96/20/173789620.db2.gz APCCXIBOGUMEDM-LURJTMIESA-N 0 0 232.638 2.419 50 0 BEAARN COC(=O)c1c[nH]cc1-c1ccccc1 ZINC000005355332 173845465 /nfs/dbraw/zinc/84/54/65/173845465.db2.gz IQUXHEPTOZFPQJ-UHFFFAOYSA-N 0 0 201.225 2.468 50 0 BEAARN COC(=O)c1cc(C)nc2ccccc21 ZINC000005923877 173851590 /nfs/dbraw/zinc/85/15/90/173851590.db2.gz IMGVYHBEXUHRHX-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN COC(=O)c1cc(Cl)cc2c[nH]nc21 ZINC000089197228 173858200 /nfs/dbraw/zinc/85/82/00/173858200.db2.gz FZWZHQQUHUQHPN-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC(=O)c1cc(N)c(Cl)cc1Cl ZINC000062350356 173859107 /nfs/dbraw/zinc/85/91/07/173859107.db2.gz WRCAZCJSGABHIT-UHFFFAOYSA-N 0 0 220.055 2.362 50 0 BEAARN COC(=O)c1cc(N)cc(C(F)(F)F)c1 ZINC000004562407 173859315 /nfs/dbraw/zinc/85/93/15/173859315.db2.gz UOVPHHSFTNRQHJ-UHFFFAOYSA-N 0 0 219.162 2.074 50 0 BEAARN COC(=O)c1ccc(NC2CCCC2)c(N)c1 ZINC000041079816 173883389 /nfs/dbraw/zinc/88/33/89/173883389.db2.gz ONJUYRGBFRHORO-UHFFFAOYSA-N 0 0 234.299 2.410 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000014788452 173895239 /nfs/dbraw/zinc/89/52/39/173895239.db2.gz OEEZXWYOYOXHMF-KCJUWKMLSA-N 0 0 233.267 2.068 50 0 BEAARN COC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000006189282 173895747 /nfs/dbraw/zinc/89/57/47/173895747.db2.gz YNUYBDGRXGCBDA-UHFFFAOYSA-N 0 0 244.294 2.335 50 0 BEAARN COC(=O)c1cccc2[nH]c(=S)[nH]c21 ZINC000034622872 173897414 /nfs/dbraw/zinc/89/74/14/173897414.db2.gz FAFWRKKEHLLNPS-UHFFFAOYSA-N 0 0 208.242 2.012 50 0 BEAARN COC(=O)c1cccc2nc(Cl)ncc21 ZINC000095627665 173897892 /nfs/dbraw/zinc/89/78/92/173897892.db2.gz ZUJJYZRHYQSTIO-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN COC(=O)c1sc2cc(OC)ccc2c1N ZINC000039187359 173923633 /nfs/dbraw/zinc/92/36/33/173923633.db2.gz VZWRCBXURPSNIX-UHFFFAOYSA-N 0 0 237.280 2.279 50 0 BEAARN COC(COc1cccc(C)c1C)OC ZINC000000392636 173963384 /nfs/dbraw/zinc/96/33/84/173963384.db2.gz ZTLLPDNIUXEYEF-UHFFFAOYSA-N 0 0 210.273 2.301 50 0 BEAARN COC1(CNC(=O)C(C)(C)C)CCSCC1 ZINC000252536178 173997288 /nfs/dbraw/zinc/99/72/88/173997288.db2.gz HTVMBEGCHLKMLA-UHFFFAOYSA-N 0 0 245.388 2.061 50 0 BEAARN COCC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 ZINC000096418931 174040092 /nfs/dbraw/zinc/04/00/92/174040092.db2.gz XYTYTMUHKLKLIE-UHFFFAOYSA-N 0 0 247.338 2.441 50 0 BEAARN COCC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000040074605 174053654 /nfs/dbraw/zinc/05/36/54/174053654.db2.gz JDCSZXKQAKRVSE-LURJTMIESA-N 0 0 233.720 2.225 50 0 BEAARN COCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000072437136 174056739 /nfs/dbraw/zinc/05/67/39/174056739.db2.gz UWFOXPZXJUPVQU-NSHDSACASA-N 0 0 249.310 2.051 50 0 BEAARN COCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000458113 174058222 /nfs/dbraw/zinc/05/82/22/174058222.db2.gz UFJWTHVMXDRLQJ-UHFFFAOYSA-N 0 0 217.627 2.064 50 0 BEAARN COCC(=O)Nc1cccc(Cl)c1F ZINC000057992089 174059189 /nfs/dbraw/zinc/05/91/89/174059189.db2.gz ZXROKRUIDBLVOL-UHFFFAOYSA-N 0 0 217.627 2.064 50 0 BEAARN COCC(=O)c1cccc(Cl)c1F ZINC000086521698 174062484 /nfs/dbraw/zinc/06/24/84/174062484.db2.gz DOMZZFNOVODRSV-UHFFFAOYSA-N 0 0 202.612 2.308 50 0 BEAARN COCC1(CNC(=O)c2ccccc2)CCC1 ZINC000282565719 174101203 /nfs/dbraw/zinc/10/12/03/174101203.db2.gz FWUFQAZTNHKDEU-UHFFFAOYSA-N 0 0 233.311 2.233 50 0 BEAARN COCCC(=O)Nc1ccc(Cl)cc1O ZINC000096484161 174135753 /nfs/dbraw/zinc/13/57/53/174135753.db2.gz LJIKDGDXJJLRLA-UHFFFAOYSA-N 0 0 229.663 2.021 50 0 BEAARN COCCC(C)(C)C(=O)N1CCC(C)(C)C1 ZINC000097115636 174140273 /nfs/dbraw/zinc/14/02/73/174140273.db2.gz IYFCNOFOJXGAIA-UHFFFAOYSA-N 0 0 227.348 2.308 50 0 BEAARN COCCC1(C(=O)N[C@@H](C)C(C)(C)C)CC1 ZINC000095449671 174149458 /nfs/dbraw/zinc/14/94/58/174149458.db2.gz PKRVFMGVLIJDCJ-JTQLQIEISA-N 0 0 227.348 2.354 50 0 BEAARN COCCCCC(=O)Nc1c(O)cccc1F ZINC000096436571 174173938 /nfs/dbraw/zinc/17/39/38/174173938.db2.gz JSNCVJUAHQFCDZ-UHFFFAOYSA-N 0 0 241.262 2.287 50 0 BEAARN COCCCCCn1c(Cl)cccc1=O ZINC000095412842 174185810 /nfs/dbraw/zinc/18/58/10/174185810.db2.gz GDGVYRWYBJLRBR-UHFFFAOYSA-N 0 0 229.707 2.318 50 0 BEAARN COCCCCn1ccnc1-c1ccncc1 ZINC000096009629 174209314 /nfs/dbraw/zinc/20/93/14/174209314.db2.gz BIYHNTNIMYIXCM-UHFFFAOYSA-N 0 0 231.299 2.372 50 0 BEAARN COCCCNC(=O)Nc1ccc(C)cc1F ZINC000040526218 174242674 /nfs/dbraw/zinc/24/26/74/174242674.db2.gz KXWDMXSCLRQDMM-UHFFFAOYSA-N 0 0 240.278 2.292 50 0 BEAARN COCCCNC(=O)c1c(F)cccc1Cl ZINC000055531366 174244718 /nfs/dbraw/zinc/24/47/18/174244718.db2.gz QRQABLVBIGSIGA-UHFFFAOYSA-N 0 0 245.681 2.245 50 0 BEAARN COCCCNc1nc2ccccc2[nH]1 ZINC000008701456 174252093 /nfs/dbraw/zinc/25/20/93/174252093.db2.gz UVDGNYNILNQTDN-UHFFFAOYSA-N 0 0 205.261 2.011 50 0 BEAARN COCCCOc1ccc(OC)c(F)c1 ZINC000095939535 174257308 /nfs/dbraw/zinc/25/73/08/174257308.db2.gz BRZBGDMICYCDCE-UHFFFAOYSA-N 0 0 214.236 2.250 50 0 BEAARN COCCN(C(=O)c1cccnc1)C1CCCC1 ZINC000045511631 174269713 /nfs/dbraw/zinc/26/97/13/174269713.db2.gz JNHSAVZJMYKSDN-UHFFFAOYSA-N 0 0 248.326 2.113 50 0 BEAARN COCCN(CC(C)C)C(=O)c1ccccc1 ZINC000032800775 174286897 /nfs/dbraw/zinc/28/68/97/174286897.db2.gz FKVZFCUPPXOBHC-UHFFFAOYSA-N 0 0 235.327 2.431 50 0 BEAARN COCCN(Cc1ccco1)c1ccnc(C)n1 ZINC000097014714 174300875 /nfs/dbraw/zinc/30/08/75/174300875.db2.gz KWIWMJCTSDLMIO-UHFFFAOYSA-N 0 0 247.298 2.031 50 0 BEAARN COCCN(Cc1ccoc1)C(=O)C(C)(C)C ZINC000085474174 174301153 /nfs/dbraw/zinc/30/11/53/174301153.db2.gz YLQIWDOESSBGEA-UHFFFAOYSA-N 0 0 239.315 2.301 50 0 BEAARN COCCNC(=O)Nc1cccc(Cl)c1 ZINC000001603176 174325450 /nfs/dbraw/zinc/32/54/50/174325450.db2.gz OCWOGWHGSTYVMJ-UHFFFAOYSA-N 0 0 228.679 2.108 50 0 in-vitro BEAARN COCCNC(=O)c1oc2ccccc2c1C ZINC000002665884 174329269 /nfs/dbraw/zinc/32/92/69/174329269.db2.gz XRCUYVDOWOXCRC-UHFFFAOYSA-N 0 0 233.267 2.117 50 0 BEAARN COCCNc1[nH]c(=S)nc2ccccc21 ZINC000002932949 174341771 /nfs/dbraw/zinc/34/17/71/174341771.db2.gz OAXFOZYJIUOBAH-UHFFFAOYSA-N 0 0 235.312 2.351 50 0 BEAARN COCCOC(=O)Nc1cc(C)cc(C)c1 ZINC000002172182 174343651 /nfs/dbraw/zinc/34/36/51/174343651.db2.gz IJEKZSHYJPUBLS-UHFFFAOYSA-N 0 0 223.272 2.498 50 0 BEAARN COCCOc1ccc(NC(=O)C2CCC2)cc1 ZINC000029216441 174368833 /nfs/dbraw/zinc/36/88/33/174368833.db2.gz HAHUUXBTIJCVED-UHFFFAOYSA-N 0 0 249.310 2.450 50 0 BEAARN COCCn1c(C)c(C=O)c2ccccc21 ZINC000004973358 174427894 /nfs/dbraw/zinc/42/78/94/174427894.db2.gz ZDRHAVRVWJVIIC-UHFFFAOYSA-N 0 0 217.268 2.409 50 0 BEAARN COCSc1nc2ccccc2n1C ZINC000032910535 174433218 /nfs/dbraw/zinc/43/32/18/174433218.db2.gz WIUBOHNEVMDTIQ-UHFFFAOYSA-N 0 0 208.286 2.269 50 0 BEAARN COC[C@@H](C)OC(=O)c1ccc(OC)cc1C ZINC000096442115 174463557 /nfs/dbraw/zinc/46/35/57/174463557.db2.gz KFBUQMOTKWPCJZ-SNVBAGLBSA-N 0 0 238.283 2.195 50 0 BEAARN COC[C@H](C)NC(=O)CCc1cccc(C)c1 ZINC000040477338 174542207 /nfs/dbraw/zinc/54/22/07/174542207.db2.gz VVCDNNDUSGFMOF-LBPRGKRZSA-N 0 0 235.327 2.079 50 0 BEAARN COC[C@H](NC(=O)c1ccoc1)c1ccc(C)o1 ZINC000096445125 174577535 /nfs/dbraw/zinc/57/75/35/174577535.db2.gz JJBBSHCYJIDLOX-NSHDSACASA-N 0 0 249.266 2.299 50 0 BEAARN CONC(=O)CCc1ccc(C)c(Cl)c1 ZINC000053720899 174663702 /nfs/dbraw/zinc/66/37/02/174663702.db2.gz LDCUXENKJCMJNV-UHFFFAOYSA-N 0 0 227.691 2.259 50 0 BEAARN CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1F ZINC000055004669 174806518 /nfs/dbraw/zinc/80/65/18/174806518.db2.gz HRGPLBXYHZBXQI-DTWKUNHWSA-N 0 0 225.263 2.038 50 0 BEAARN COc1cc(C)c(C(C)=O)cc1OC(C)=O ZINC000003122037 174954573 /nfs/dbraw/zinc/95/45/73/174954573.db2.gz LGZCVDHWIYIUEY-UHFFFAOYSA-N 0 0 222.240 2.132 50 0 BEAARN COc1cc(C=O)ccc1OCC(F)(F)F ZINC000012394577 174976973 /nfs/dbraw/zinc/97/69/73/174976973.db2.gz SICBRZYTULOVSI-UHFFFAOYSA-N 0 0 234.173 2.449 50 0 BEAARN COc1cc(Cl)cc(C=O)c1OC ZINC000002383307 174989709 /nfs/dbraw/zinc/98/97/09/174989709.db2.gz FIRVUYUWCDJOMJ-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN COc1cc(N)c(Br)cc1C ZINC000029753854 174995211 /nfs/dbraw/zinc/99/52/11/174995211.db2.gz WGVJMLYQPNCPSD-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN COc1cc2cc(C=O)cnc2cc1OC ZINC000047841548 175026090 /nfs/dbraw/zinc/02/60/90/175026090.db2.gz SYZJYWHCZGHEKY-UHFFFAOYSA-N 0 0 217.224 2.065 50 0 BEAARN COc1cc2cc[nH]c2c2c1OCCC2=O ZINC000000381753 175026165 /nfs/dbraw/zinc/02/61/65/175026165.db2.gz JQSDDEOTKCXZRJ-UHFFFAOYSA-N 0 0 217.224 2.142 50 0 BEAARN COc1ccc(-c2c[nH]nc2C)cc1OC ZINC000005212116 175030358 /nfs/dbraw/zinc/03/03/58/175030358.db2.gz YZJNMGYQMUUWQZ-UHFFFAOYSA-N 0 0 218.256 2.402 50 0 BEAARN COc1ccc(-c2cc(C(N)=O)ccn2)cc1C ZINC000067805810 175030447 /nfs/dbraw/zinc/03/04/47/175030447.db2.gz JXYTVSFDSBJHJN-UHFFFAOYSA-N 0 0 242.278 2.165 50 0 BEAARN COc1ccc(-c2n[nH]c(=S)n2C)cc1 ZINC000000310273 175037638 /nfs/dbraw/zinc/03/76/38/175037638.db2.gz GYQUBNVSGYWROW-UHFFFAOYSA-N 0 0 221.285 2.153 50 0 BEAARN COc1ccc(-c2csc(CO)n2)cc1 ZINC000045206528 175038060 /nfs/dbraw/zinc/03/80/60/175038060.db2.gz AYZAEIXQNHIMCZ-UHFFFAOYSA-N 0 0 221.281 2.311 50 0 BEAARN COc1ccc(-c2nnc(C)o2)cc1F ZINC000040350745 175041615 /nfs/dbraw/zinc/04/16/15/175041615.db2.gz PXQXQBVSQXQCKK-UHFFFAOYSA-N 0 0 208.192 2.193 50 0 BEAARN COc1ccc(-n2cccc2)cc1OC ZINC000001399782 175044250 /nfs/dbraw/zinc/04/42/50/175044250.db2.gz ASUZZDGBNHWAMT-UHFFFAOYSA-N 0 0 203.241 2.495 50 0 BEAARN COc1ccc(C(N)=CC(=O)OC(C)(C)C)cc1 ZINC000016667743 175046777 /nfs/dbraw/zinc/04/67/77/175046777.db2.gz WIUMKJSFJIHMAS-FMIVXFBMSA-N 0 0 249.310 2.337 50 0 BEAARN COc1ccc(/C=C2/N=C3CCCN3C2=O)cc1 ZINC000003394398 175048003 /nfs/dbraw/zinc/04/80/03/175048003.db2.gz AGFPJOAOTBMRDC-FMIVXFBMSA-N 0 0 242.278 2.071 50 0 BEAARN COc1ccc(/C=C2\N=C(C)OC2=O)cc1 ZINC000005722774 175048544 /nfs/dbraw/zinc/04/85/44/175048544.db2.gz NRQHBNNTBIDSRK-XFFZJAGNSA-N 0 0 217.224 2.011 50 0 BEAARN COc1ccc(Br)cc1N ZINC000002525096 175050945 /nfs/dbraw/zinc/05/09/45/175050945.db2.gz OPGNSNDTPPIYPG-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN COc1ccc(C(=O)C(F)(F)F)cc1 ZINC000001685929 175052816 /nfs/dbraw/zinc/05/28/16/175052816.db2.gz NCJZVRPXSSYDBG-UHFFFAOYSA-N 0 0 204.147 2.440 50 0 BEAARN COc1ccc(C(=O)N2CCCC2)cc1F ZINC000012978864 175055506 /nfs/dbraw/zinc/05/55/06/175055506.db2.gz CCYGDMWGDOSPDN-UHFFFAOYSA-N 0 0 223.247 2.070 50 0 BEAARN COc1ccc(C(=O)NC(C2CC2)C2CC2)cn1 ZINC000042025471 175058817 /nfs/dbraw/zinc/05/88/17/175058817.db2.gz LXOAIIYPECYBLB-UHFFFAOYSA-N 0 0 246.310 2.009 50 0 BEAARN COc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000000054997 175061410 /nfs/dbraw/zinc/06/14/10/175061410.db2.gz XMULIGBACJJUTK-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cn1 ZINC000016230376 175062564 /nfs/dbraw/zinc/06/25/64/175062564.db2.gz RDWZVHFFXXDROT-ZYHUDNBSSA-N 0 0 248.326 2.399 50 0 BEAARN COc1ccc(C(=O)Nc2ccncc2)c(F)c1 ZINC000012528568 175063877 /nfs/dbraw/zinc/06/38/77/175063877.db2.gz HHUWYUACAAUMAB-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cn1 ZINC000016230377 175064101 /nfs/dbraw/zinc/06/41/01/175064101.db2.gz RDWZVHFFXXDROT-PWSUYJOCSA-N 0 0 248.326 2.399 50 0 BEAARN COc1ccc(C(=O)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000071774188 175065177 /nfs/dbraw/zinc/06/51/77/175065177.db2.gz FPFKQVFZWWCVOZ-OLZOCXBDSA-N 0 0 234.295 2.429 50 0 BEAARN COc1ccc(C(=O)OC2CCCC2)cc1N ZINC000020155876 175065383 /nfs/dbraw/zinc/06/53/83/175065383.db2.gz GZUOHHJMTBLEPP-UHFFFAOYSA-N 0 0 235.283 2.377 50 0 BEAARN COc1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000001010457 175066331 /nfs/dbraw/zinc/06/63/31/175066331.db2.gz KHMVLRILJIEAKG-UHFFFAOYSA-N 0 0 201.225 2.254 50 0 BEAARN COc1ccc(C2=NCOCS2)cc1 ZINC000003633852 175085350 /nfs/dbraw/zinc/08/53/50/175085350.db2.gz PIAHAZMFEBRXRT-UHFFFAOYSA-N 0 0 209.270 2.120 50 0 BEAARN COc1ccc(CC(=O)NC2CCCC2)cc1 ZINC000000101345 175086882 /nfs/dbraw/zinc/08/68/82/175086882.db2.gz DCDSSQWSWWYSOK-UHFFFAOYSA-N 0 0 233.311 2.297 50 0 BEAARN COc1ccc(CC(=O)n2nc(C)cc2C)cc1 ZINC000003194889 175087531 /nfs/dbraw/zinc/08/75/31/175087531.db2.gz UJGSEJYKEBJYHJ-UHFFFAOYSA-N 0 0 244.294 2.391 50 0 BEAARN COc1ccc(CCNc2ccncn2)cc1 ZINC000000403649 175092328 /nfs/dbraw/zinc/09/23/28/175092328.db2.gz RUGOPPWUFGEYNK-UHFFFAOYSA-N 0 0 229.283 2.140 50 0 BEAARN COc1ccc(CCNc2ncccn2)cc1 ZINC000008324994 175092650 /nfs/dbraw/zinc/09/26/50/175092650.db2.gz YBRFXXOAQGWDOE-UHFFFAOYSA-N 0 0 229.283 2.140 50 0 BEAARN COc1ccc(CNC(=O)CC(C)C)cc1 ZINC000000447109 175104347 /nfs/dbraw/zinc/10/43/47/175104347.db2.gz UPZFRLJRFPQKKO-UHFFFAOYSA-N 0 0 221.300 2.358 50 0 BEAARN COc1ccc(COC(=O)[C@H]2CC=CCC2)cn1 ZINC000096442966 175113624 /nfs/dbraw/zinc/11/36/24/175113624.db2.gz VVIWPFYYAHCFPX-LBPRGKRZSA-N 0 0 247.294 2.490 50 0 BEAARN COc1ccc(CSCCCO)cc1 ZINC000002526392 175114239 /nfs/dbraw/zinc/11/42/39/175114239.db2.gz CFKLXMNRDPVQNB-UHFFFAOYSA-N 0 0 212.314 2.311 50 0 in-vitro BEAARN COc1ccc(Cl)cc1-c1cnc(=O)[nH]c1 ZINC000049828352 175119328 /nfs/dbraw/zinc/11/93/28/175119328.db2.gz PVTAXJLYTFZEKB-UHFFFAOYSA-N 0 0 236.658 2.099 50 0 BEAARN COc1ccc(Cl)cc1-c1nnc(N)s1 ZINC000004234715 175119933 /nfs/dbraw/zinc/11/99/33/175119933.db2.gz YSDRZPMZEDZVJN-UHFFFAOYSA-N 0 0 241.703 2.449 50 0 BEAARN COc1ccc(F)c(-c2ccnc(CO)c2)c1 ZINC000065409290 175124080 /nfs/dbraw/zinc/12/40/80/175124080.db2.gz MRNGPLHWZZCEDC-UHFFFAOYSA-N 0 0 233.242 2.389 50 0 BEAARN COc1ccc(N(C=O)C(=S)SC)cc1 ZINC000000524740 175137462 /nfs/dbraw/zinc/13/74/62/175137462.db2.gz QSDOJOLUFJQAQR-UHFFFAOYSA-N 0 0 241.337 2.306 50 0 BEAARN COc1ccc(N)cc1OCC(F)(F)F ZINC000020283314 175138269 /nfs/dbraw/zinc/13/82/69/175138269.db2.gz VBQUAQKNJDNXLR-UHFFFAOYSA-N 0 0 221.178 2.219 50 0 BEAARN COc1ccc(NC(=O)C2CC2)c(OC)c1 ZINC000000482807 175140916 /nfs/dbraw/zinc/14/09/16/175140916.db2.gz QCXKAHJONKLGAK-UHFFFAOYSA-N 0 0 221.256 2.052 50 0 BEAARN COc1ccc(NC(=O)CC2CCOCC2)cc1 ZINC000082325945 175141385 /nfs/dbraw/zinc/14/13/85/175141385.db2.gz YXZMPFVZQLRKGP-UHFFFAOYSA-N 0 0 249.310 2.450 50 0 BEAARN COc1ccc(NC(=O)N(C)C)cc1Cl ZINC000000900697 175142453 /nfs/dbraw/zinc/14/24/53/175142453.db2.gz DSRNRYQBBJQVCW-UHFFFAOYSA-N 0 0 228.679 2.442 50 0 in-vitro BEAARN COc1ccc(NC(=O)NC(C)C)cc1 ZINC000000395160 175143488 /nfs/dbraw/zinc/14/34/88/175143488.db2.gz YOPOSDNKKHJOAM-UHFFFAOYSA-N 0 0 208.261 2.225 50 0 BEAARN COc1ccc(NC(=O)[C@@H](C)n2cccc2)cn1 ZINC000130216977 175145311 /nfs/dbraw/zinc/14/53/11/175145311.db2.gz JVHHOFIQZCKTGT-SNVBAGLBSA-N 0 0 245.282 2.091 50 0 BEAARN COc1ccc(NC(=O)c2ccncc2)cc1 ZINC000000267827 175147136 /nfs/dbraw/zinc/14/71/36/175147136.db2.gz LVERVLNIJMUPKJ-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccc(NC(=O)c2snnc2C)cc1 ZINC000000385511 175148916 /nfs/dbraw/zinc/14/89/16/175148916.db2.gz MHIQJQDFTIBQIR-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccc(NC(C)=S)cc1OC ZINC000000245605 175150054 /nfs/dbraw/zinc/15/00/54/175150054.db2.gz JSJSVAPQEXRAPS-UHFFFAOYSA-N 0 0 211.286 2.463 50 0 BEAARN COc1ccc(O)cc1Br ZINC000032235457 175161985 /nfs/dbraw/zinc/16/19/85/175161985.db2.gz NOJOUQQJSGRBMN-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN COc1ccc(OC(F)(F)F)cc1O ZINC000038529723 175162862 /nfs/dbraw/zinc/16/28/62/175162862.db2.gz PORCXQLOOCXXPL-UHFFFAOYSA-N 0 0 208.135 2.299 50 0 BEAARN COc1ccc(OC)c(CNc2ncccn2)c1 ZINC000004689003 175166197 /nfs/dbraw/zinc/16/61/97/175166197.db2.gz KUKDJBATTBKCIC-UHFFFAOYSA-N 0 0 245.282 2.106 50 0 BEAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000009908500 175167242 /nfs/dbraw/zinc/16/72/42/175167242.db2.gz CSXKFQVJPQVANQ-WPRPVWTQSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(OC)c([C@H](C)NC(=O)C2CC2)c1 ZINC000005094547 175168718 /nfs/dbraw/zinc/16/87/18/175168718.db2.gz AWKSXFZTRMURDH-VIFPVBQESA-N 0 0 249.310 2.291 50 0 BEAARN COc1ccc(OC)c2c(=O)cc(C)oc12 ZINC000000394384 175169920 /nfs/dbraw/zinc/16/99/20/175169920.db2.gz UFCZYGOJPCRTPW-UHFFFAOYSA-N 0 0 220.224 2.119 50 0 BEAARN COc1ccc(OC)c2[nH]c(=S)[nH]c21 ZINC000016650487 175169938 /nfs/dbraw/zinc/16/99/38/175169938.db2.gz WCMTVWLAEJYDMQ-UHFFFAOYSA-N 0 0 210.258 2.243 50 0 BEAARN COc1ccc(OCCCn2ccnc2)cc1 ZINC000002484804 175172929 /nfs/dbraw/zinc/17/29/29/175172929.db2.gz NALISARNWDWIOT-UHFFFAOYSA-N 0 0 232.283 2.361 50 0 BEAARN COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)[O-])cc1 ZINC000237227687 175183040 /nfs/dbraw/zinc/18/30/40/175183040.db2.gz KHPBXAPMYRSOFF-ZDUSSCGKSA-N 0 0 249.310 2.307 50 0 BEAARN COc1ccc2[nH]c3c(c2c1)CCC3=O ZINC000034534881 175201926 /nfs/dbraw/zinc/20/19/26/175201926.db2.gz GFNUUAVJKWUJDL-UHFFFAOYSA-N 0 0 201.225 2.305 50 0 biogenic BEAARN COc1ccc2[nH]c3c(c2c1)CN(C(C)=O)CC3 ZINC000020761549 175201980 /nfs/dbraw/zinc/20/19/80/175201980.db2.gz CTOQTKICLRDBJE-UHFFFAOYSA-N 0 0 244.294 2.081 50 0 biogenic BEAARN COc1ccc2c(C)c(C[C@H](C)O)c(=O)oc2c1 ZINC000000196350 175203847 /nfs/dbraw/zinc/20/38/47/175203847.db2.gz INWXTWBBNSHMRS-QMMMGPOBSA-N 0 0 248.278 2.033 50 0 biogenic BEAARN COc1ccc2c(c1)[C@@H](O)C[C@H](C(F)(F)F)O2 ZINC000043464916 175214004 /nfs/dbraw/zinc/21/40/04/175214004.db2.gz JFPBLFLXPAOFAF-WCBMZHEXSA-N 0 0 248.200 2.442 50 0 BEAARN COc1ccc2c(c1)[C@@H](O)C[C@@H](C(F)F)O2 ZINC000043464922 175214816 /nfs/dbraw/zinc/21/48/16/175214816.db2.gz ARCRCIFIKXIOMZ-WPRPVWTQSA-N 0 0 230.210 2.145 50 0 BEAARN COc1ccc2c(c1OC)NC(=O)[C@H]2SC ZINC000101369896 175222551 /nfs/dbraw/zinc/22/25/51/175222551.db2.gz QRARCXAFFXRMQC-JTQLQIEISA-N 0 0 239.296 2.060 50 0 BEAARN COc1ccc2cc(CCO)ccc2c1 ZINC000001646261 175224686 /nfs/dbraw/zinc/22/46/86/175224686.db2.gz QZLXBEDMDRAGHA-UHFFFAOYSA-N 0 0 202.253 2.383 50 0 BEAARN COc1ccc2oc(C)c(C(=O)CN(C)C)c2c1 ZINC000003173111 175231039 /nfs/dbraw/zinc/23/10/39/175231039.db2.gz MNYSDVYNECWGMW-UHFFFAOYSA-N 0 0 247.294 2.494 50 0 BEAARN COc1ccc2sc(C(N)=O)c(C)c2c1 ZINC000095401781 175232459 /nfs/dbraw/zinc/23/24/59/175232459.db2.gz FDFZNTRXDRZBAA-UHFFFAOYSA-N 0 0 221.281 2.317 50 0 BEAARN COc1cccc(-c2ccc(N)nc2)c1 ZINC000016946498 175234176 /nfs/dbraw/zinc/23/41/76/175234176.db2.gz UVYHJYCQMANHPO-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN COc1cccc(-c2ccc(C(N)=O)o2)c1 ZINC000049816203 175234409 /nfs/dbraw/zinc/23/44/09/175234409.db2.gz GFHNPIHLDMSUBY-UHFFFAOYSA-N 0 0 217.224 2.054 50 0 BEAARN COc1cccc(-c2ccnc(NC#N)n2)c1 ZINC000071375515 175235432 /nfs/dbraw/zinc/23/54/32/175235432.db2.gz XERWFWPIIKPKJU-UHFFFAOYSA-N 0 0 226.239 2.045 50 0 BEAARN COc1cccc(C(=O)Nc2nccc(C)n2)c1 ZINC000035655080 175245988 /nfs/dbraw/zinc/24/59/88/175245988.db2.gz XAYPZGZNMCPAMI-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1cccc(C(=O)O[C@H]2CCCCC2=O)c1 ZINC000008848129 175247257 /nfs/dbraw/zinc/24/72/57/175247257.db2.gz HVBCOPCCBOWVPA-ZDUSSCGKSA-N 0 0 248.278 2.364 50 0 BEAARN COc1cccc(CN(C)Cc2cncs2)n1 ZINC000188962755 175254903 /nfs/dbraw/zinc/25/49/03/175254903.db2.gz TVDATHIJIILRNY-UHFFFAOYSA-N 0 0 249.339 2.179 50 0 BEAARN COc1cccc(CN(C)c2nnc(C)s2)c1 ZINC000075145260 175256822 /nfs/dbraw/zinc/25/68/22/175256822.db2.gz NDPNRCKOKHHPIW-UHFFFAOYSA-N 0 0 249.339 2.492 50 0 BEAARN COc1cccc(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000045838925 175260130 /nfs/dbraw/zinc/26/01/30/175260130.db2.gz YBWDEQGDJJMQRM-VXGBXAGGSA-N 0 0 235.327 2.304 50 0 BEAARN COc1cccc(CSc2nncn2C)c1 ZINC000006726622 175270936 /nfs/dbraw/zinc/27/09/36/175270936.db2.gz JOABFHXQSXMKIO-UHFFFAOYSA-N 0 0 235.312 2.116 50 0 BEAARN COc1cccc(NC(=O)N2CCCC2)c1 ZINC000006741437 175276563 /nfs/dbraw/zinc/27/65/63/175276563.db2.gz GOZSMQGQDZSVEU-UHFFFAOYSA-N 0 0 220.272 2.323 50 0 BEAARN COc1cccc(NC(=S)NCC2CC2)c1 ZINC000095948236 175278053 /nfs/dbraw/zinc/27/80/53/175278053.db2.gz UGYARDPRTBLRSY-UHFFFAOYSA-N 0 0 236.340 2.392 50 0 BEAARN COc1cccc(NC(=O)c2cnoc2C)c1 ZINC000000385180 175278593 /nfs/dbraw/zinc/27/85/93/175278593.db2.gz LEFVGRUCCGIGMO-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1cccc([C@@H](N)C(F)(F)F)c1 ZINC000043463899 175289128 /nfs/dbraw/zinc/28/91/28/175289128.db2.gz SAIVQMCRUQATAG-MRVPVSSYSA-N 0 0 205.179 2.257 50 0 BEAARN COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)[O-])c1 ZINC000237319323 175290249 /nfs/dbraw/zinc/29/02/49/175290249.db2.gz KNQIWKXCQFQYAU-ZDUSSCGKSA-N 0 0 249.310 2.307 50 0 BEAARN COc1cccc2c1C(=O)CC(C)(C)O2 ZINC000036438764 175300994 /nfs/dbraw/zinc/30/09/94/175300994.db2.gz RWFBDXQSHYXJRA-UHFFFAOYSA-N 0 0 206.241 2.439 50 0 BEAARN COc1ccccc1-c1csc(N)n1 ZINC000000151418 175309748 /nfs/dbraw/zinc/30/97/48/175309748.db2.gz DVVAVWNGAFFCNW-UHFFFAOYSA-N 0 0 206.270 2.401 50 0 BEAARN COc1ccccc1-c1ccnc2nc(C)nn21 ZINC000057530921 175309879 /nfs/dbraw/zinc/30/98/79/175309879.db2.gz PCEUSGIIQXMKTN-UHFFFAOYSA-N 0 0 240.266 2.108 50 0 BEAARN COc1ccccc1C(=O)NCc1ccncc1 ZINC000000550033 175318578 /nfs/dbraw/zinc/31/85/78/175318578.db2.gz WBAFEJVGFIXKFD-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccccc1C(=O)NC1CCCC1 ZINC000001009417 175318583 /nfs/dbraw/zinc/31/85/83/175318583.db2.gz GHZQAOUCACNVGB-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN COc1ccccc1CCNC(=O)C(C)C ZINC000012381919 175323734 /nfs/dbraw/zinc/32/37/34/175323734.db2.gz PKKZEIQXIMORLF-UHFFFAOYSA-N 0 0 221.300 2.010 50 0 BEAARN COc1ccccc1CN1CCOCC12CCC2 ZINC000093510539 175328195 /nfs/dbraw/zinc/32/81/95/175328195.db2.gz MFERHRDSIKOEIV-UHFFFAOYSA-N 0 0 247.338 2.450 50 0 BEAARN COc1ccccc1CNC(=O)CC(C)C ZINC000000373287 175328708 /nfs/dbraw/zinc/32/87/08/175328708.db2.gz IWFNSINDIFKMLB-UHFFFAOYSA-N 0 0 221.300 2.358 50 0 BEAARN COc1ccccc1CNC(=O)C=C(C)C ZINC000022929015 175328757 /nfs/dbraw/zinc/32/87/57/175328757.db2.gz GXUXREQFZCIEKD-UHFFFAOYSA-N 0 0 219.284 2.278 50 0 BEAARN COc1ccccc1NC(=O)c1cnc(C)cn1 ZINC000006339737 175336823 /nfs/dbraw/zinc/33/68/23/175336823.db2.gz ZVHGFRNAVRGUFF-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1cccnc1NC(=O)Cc1cccs1 ZINC000060365854 175357064 /nfs/dbraw/zinc/35/70/64/175357064.db2.gz WLGFJCABMAIWAJ-UHFFFAOYSA-N 0 0 248.307 2.333 50 0 BEAARN COc1cccnc1NC(=O)/C=C\c1ccco1 ZINC000096257328 175357397 /nfs/dbraw/zinc/35/73/97/175357397.db2.gz PCZABWKQRKTDPE-SREVYHEPSA-N 0 0 244.250 2.335 50 0 BEAARN COc1ccsc1C(=O)OCC[C@H](C)OC ZINC000096442911 175377561 /nfs/dbraw/zinc/37/75/61/175377561.db2.gz PRQGOWRAQSIHNM-QMMMGPOBSA-N 0 0 244.312 2.339 50 0 BEAARN COc1cnn(C2CCCCC2)c(=O)c1Cl ZINC000000783202 175387306 /nfs/dbraw/zinc/38/73/06/175387306.db2.gz LHWDFSAJDASMCM-UHFFFAOYSA-N 0 0 242.706 2.411 50 0 BEAARN CSCC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000032905644 175455712 /nfs/dbraw/zinc/45/57/12/175455712.db2.gz MOILPBVCKQCDKU-GFCCVEGCSA-N 0 0 235.352 2.495 50 0 BEAARN CSCc1ccnc(NCc2ncc[nH]2)c1 ZINC000089493775 175532583 /nfs/dbraw/zinc/53/25/83/175532583.db2.gz LQZYNQANUIFGLV-UHFFFAOYSA-N 0 0 234.328 2.280 50 0 BEAARN CSc1nnc2c3cc(F)ccc3n(C)c2n1 ZINC000000797146 175592823 /nfs/dbraw/zinc/59/28/23/175592823.db2.gz DLCNTURLFDERLL-UHFFFAOYSA-N 0 0 248.286 2.378 50 0 BEAARN C[C@@H](C(=O)Nc1ccccc1)n1cccn1 ZINC000028192831 175621210 /nfs/dbraw/zinc/62/12/10/175621210.db2.gz HPILDFIHIQPFLW-JTQLQIEISA-N 0 0 215.256 2.083 50 0 BEAARN C[C@@H](CC1CCCC1)C(=O)NCCc1cn[nH]c1 ZINC000290617751 175657572 /nfs/dbraw/zinc/65/75/72/175657572.db2.gz TXZSAXKAESPLOC-NSHDSACASA-N 0 0 249.358 2.285 50 0 BEAARN C[C@@H](CSCCC(N)=O)c1ccccc1 ZINC000095993986 175764853 /nfs/dbraw/zinc/76/48/53/175764853.db2.gz GPAXREWHQRPJTE-JTQLQIEISA-N 0 0 223.341 2.399 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)C1CCC1 ZINC000040074727 175774930 /nfs/dbraw/zinc/77/49/30/175774930.db2.gz HQJUNOSNCCLKFY-VIFPVBQESA-N 0 0 207.273 2.127 50 0 BEAARN C[C@@H](Cn1cccn1)NC(=O)Nc1ccccc1 ZINC000027355698 175779808 /nfs/dbraw/zinc/77/98/08/175779808.db2.gz BIGZCKUASAYEFZ-NSHDSACASA-N 0 0 244.298 2.093 50 0 BEAARN C[C@@H](NC(=O)Nc1cccnc1)C1CC1 ZINC000048364918 175840384 /nfs/dbraw/zinc/84/03/84/175840384.db2.gz PQTBNNANUFLZGG-MRVPVSSYSA-N 0 0 205.261 2.002 50 0 BEAARN C[C@@H](NC(=O)n1ccnc1)c1ccccc1 ZINC000006187637 175854336 /nfs/dbraw/zinc/85/43/36/175854336.db2.gz LBUGXHLSGRNSOZ-SNVBAGLBSA-N 0 0 215.256 2.202 50 0 in-vitro BEAARN C[C@@H](O)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000072160566 175999951 /nfs/dbraw/zinc/99/99/51/175999951.db2.gz PXWXFSDBNAYILL-MRVPVSSYSA-N 0 0 237.690 2.033 50 0 BEAARN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC1CC1 ZINC000049890169 176003713 /nfs/dbraw/zinc/00/37/13/176003713.db2.gz BMBWALWZTBEFIF-SSDOTTSWSA-N 0 0 241.237 2.011 50 0 BEAARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(N)=O ZINC000044865897 176004471 /nfs/dbraw/zinc/00/44/71/176004471.db2.gz ZINOFRNCTLSRTQ-SECBINFHSA-N 0 0 221.300 2.237 50 0 BEAARN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC1 ZINC000032958269 176004572 /nfs/dbraw/zinc/00/45/72/176004572.db2.gz YGLNNFMVPDROEA-SNVBAGLBSA-N 0 0 237.274 2.215 50 0 BEAARN C[C@@H](Oc1ccccc1)c1nnc(N)s1 ZINC000000319390 176005550 /nfs/dbraw/zinc/00/55/50/176005550.db2.gz OYNCXTKLAZBINA-SSDOTTSWSA-N 0 0 221.285 2.260 50 0 BEAARN C[C@@H](SCc1cccc(Cl)c1)C(N)=O ZINC000045089801 176009145 /nfs/dbraw/zinc/00/91/45/176009145.db2.gz JZBUBJUTXSFLDR-SSDOTTSWSA-N 0 0 229.732 2.447 50 0 BEAARN C[C@@H](Sc1ccccn1)C(=O)N1CCCC1 ZINC000032666597 176009418 /nfs/dbraw/zinc/00/94/18/176009418.db2.gz IBBDGDGBFMRYJA-SNVBAGLBSA-N 0 0 236.340 2.185 50 0 BEAARN C[C@@H](Sc1ccc(Cl)cc1)C(N)=O ZINC000000444183 176009850 /nfs/dbraw/zinc/00/98/50/176009850.db2.gz FYELNDRZGGTEJN-ZCFIWIBFSA-N 0 0 215.705 2.306 50 0 BEAARN C[C@@H](Sc1nnc(N)s1)C(F)(F)F ZINC000134576733 176010368 /nfs/dbraw/zinc/01/03/68/176010368.db2.gz SMSXNVFBQATZMZ-UWTATZPHSA-N 0 0 229.252 2.163 50 0 BEAARN C[C@@H](Sc1nccnc1N)C(F)(F)F ZINC000306630346 176010389 /nfs/dbraw/zinc/01/03/89/176010389.db2.gz MAYVBJKMQSORES-SCSAIBSYSA-N 0 0 223.223 2.102 50 0 BEAARN C[C@@H](c1ccc2ccccc2c1)[C@@H]([NH3+])C(=O)[O-] ZINC000005721768 176017244 /nfs/dbraw/zinc/01/72/44/176017244.db2.gz LULOASYNEZFLJY-TVQRCGJNSA-N 0 0 229.279 2.355 50 0 BEAARN C[C@@H](c1ccccc1)N1OCC(C)(C)C(=O)C1=O ZINC000002087803 176021946 /nfs/dbraw/zinc/02/19/46/176021946.db2.gz VWCLLYDOIREHPD-JTQLQIEISA-N 0 0 247.294 2.117 50 0 biogenic BEAARN C[C@@H](c1ccccn1)N(C)C(=O)c1cscn1 ZINC000078482747 176026909 /nfs/dbraw/zinc/02/69/09/176026909.db2.gz DFFXZVXCRWLADB-VIFPVBQESA-N 0 0 247.323 2.371 50 0 BEAARN C[C@@H](c1ccco1)c1ccc(CCC(N)=O)o1 ZINC000000297056 176032827 /nfs/dbraw/zinc/03/28/27/176032827.db2.gz SQXISITZTPPQBI-VIFPVBQESA-N 0 0 233.267 2.442 50 0 BEAARN C[C@@H](c1cccs1)N(C)C(=O)Cn1cccn1 ZINC000073025454 176033210 /nfs/dbraw/zinc/03/32/10/176033210.db2.gz LIKRKPOJWDCVLF-JTQLQIEISA-N 0 0 249.339 2.164 50 0 BEAARN C[C@@H](c1ccncc1)N(C)Cc1csnn1 ZINC000097113685 176035282 /nfs/dbraw/zinc/03/52/82/176035282.db2.gz PYEGVRTWCXSPHJ-VIFPVBQESA-N 0 0 234.328 2.126 50 0 BEAARN C[C@@H](c1ccncc1)N1CCOC(C)(C)C1 ZINC000069972196 176036058 /nfs/dbraw/zinc/03/60/58/176036058.db2.gz XCVDRSAPFBKKSD-NSHDSACASA-N 0 0 220.316 2.253 50 0 BEAARN C[C@@H]1CC2(C[C@@H](C)C1(O)C=C1CC1)OCCO2 ZINC000045071571 176057882 /nfs/dbraw/zinc/05/78/82/176057882.db2.gz ZDVMKUBWHJEPDB-GHMZBOCLSA-N 0 0 238.327 2.247 50 0 BEAARN C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000040466495 176068097 /nfs/dbraw/zinc/06/80/97/176068097.db2.gz HSZLHXYJYTUWHE-RISCZKNCSA-N 0 0 245.322 2.391 50 0 BEAARN C[C@@H]1CCCCN1C(=O)c1ccc(N)cc1 ZINC000000106673 176069581 /nfs/dbraw/zinc/06/95/81/176069581.db2.gz IBXPEPBLFYRMOV-SNVBAGLBSA-N 0 0 218.300 2.283 50 0 BEAARN C[C@@H]1CCCC[C@@]12NC(=S)N(C(C)(C)C)N2 ZINC000000550094 176083865 /nfs/dbraw/zinc/08/38/65/176083865.db2.gz QZZOYHXPHZOAIV-SKDRFNHKSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cnn(C)c1 ZINC000032537882 176086990 /nfs/dbraw/zinc/08/69/90/176086990.db2.gz KZHNUUCEZWRKEN-KPYDUXRZSA-N 0 0 247.342 2.128 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccncc1 ZINC000012913959 176087924 /nfs/dbraw/zinc/08/79/24/176087924.db2.gz MHOFJBIBOVGCAB-ZYHUDNBSSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1 ZINC000040513675 176095808 /nfs/dbraw/zinc/09/58/08/176095808.db2.gz OIHBMEBIGWWMPH-LLVKDONJSA-N 0 0 247.342 2.020 50 0 BEAARN C[C@@H]1CCN(Cc2ccon2)CC1(F)F ZINC000336394941 176177333 /nfs/dbraw/zinc/17/73/33/176177333.db2.gz ITVCITBWNBUCQG-MRVPVSSYSA-N 0 0 216.231 2.152 50 0 BEAARN C[C@@H]1CCc2[nH]nc(C(=O)NC3CCCC3)c2C1 ZINC000085951729 176239323 /nfs/dbraw/zinc/23/93/23/176239323.db2.gz INRQTIVCFDDBII-SECBINFHSA-N 0 0 247.342 2.207 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C/c2ccccc2)[C@H](C)CO1 ZINC000058324163 176241373 /nfs/dbraw/zinc/24/13/73/176241373.db2.gz ONGFIMHMTAZHPB-RYYBZQDPSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000036076062 176262604 /nfs/dbraw/zinc/26/26/04/176262604.db2.gz NFGHWLFVSIENOG-SECBINFHSA-N 0 0 239.702 2.201 50 0 BEAARN C[C@@H]1CN(Cc2cccc(O)c2)C[C@@H](C)O1 ZINC000084827842 176306003 /nfs/dbraw/zinc/30/60/03/176306003.db2.gz PHPCNJRMDITAOG-GHMZBOCLSA-N 0 0 221.300 2.001 50 0 BEAARN C[C@@H]1CN(Cc2ccccc2F)CCO1 ZINC000040479429 176308022 /nfs/dbraw/zinc/30/80/22/176308022.db2.gz HEESVUUESWGQJN-SNVBAGLBSA-N 0 0 209.264 2.046 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2N)C1 ZINC000008703308 176360488 /nfs/dbraw/zinc/36/04/88/176360488.db2.gz HBRDSVZHQXKCKQ-GHMZBOCLSA-N 0 0 232.327 2.387 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc[nH]2)C1 ZINC000032814948 176360704 /nfs/dbraw/zinc/36/07/04/176360704.db2.gz ZITIPAXLPVDORC-NXEZZACHSA-N 0 0 206.289 2.133 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=S)NC2CC2)C1 ZINC000013827484 176360819 /nfs/dbraw/zinc/36/08/19/176360819.db2.gz ZDPKKDDUHJJTQO-RKDXNWHRSA-N 0 0 212.362 2.001 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccncc2)C1 ZINC000002750139 176361096 /nfs/dbraw/zinc/36/10/96/176361096.db2.gz CDGRLWYOLPOJIH-GHMZBOCLSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@@H]1C[C@@H](Nc2ccc(F)cn2)CCO1 ZINC000235345541 176380784 /nfs/dbraw/zinc/38/07/84/176380784.db2.gz SYYZWFAFVALURK-SCZZXKLOSA-N 0 0 210.252 2.200 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1F ZINC000012979413 176384487 /nfs/dbraw/zinc/38/44/87/176384487.db2.gz NDKGSXPHKMSDJX-KOLCDFICSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000032975420 176385419 /nfs/dbraw/zinc/38/54/19/176385419.db2.gz UPIKJVYTQDOKCW-MFKMUULPSA-N 0 0 215.296 2.227 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=S)NC1CC1 ZINC000007522180 176451290 /nfs/dbraw/zinc/45/12/90/176451290.db2.gz MKNUWAZVFTUICI-SECBINFHSA-N 0 0 232.352 2.475 50 0 BEAARN C[C@@H]1Cn2c(COc3ccccc3)nnc2S1 ZINC000000108259 176453780 /nfs/dbraw/zinc/45/37/80/176453780.db2.gz ALZYDFCPRUUCNQ-SECBINFHSA-N 0 0 247.323 2.351 50 0 BEAARN C[C@@H]1c2cccn2CCN1C(=O)c1cccnc1 ZINC000029378867 176506019 /nfs/dbraw/zinc/50/60/19/176506019.db2.gz QSSJCDRAAUZVDD-LLVKDONJSA-N 0 0 241.294 2.100 50 0 BEAARN C[C@H](C(=O)NCC1CCOCC1)c1ccccc1 ZINC000182519517 176571168 /nfs/dbraw/zinc/57/11/68/176571168.db2.gz QHGYXAQUYKSZTK-LBPRGKRZSA-N 0 0 247.338 2.333 50 0 BEAARN C[C@H](NC(=O)C[C@@H]1C=CCC1)[C@@H]1CCCO1 ZINC000229196818 176794188 /nfs/dbraw/zinc/79/41/88/176794188.db2.gz FNTBMUSIRMAWMP-TUAOUCFPSA-N 0 0 223.316 2.026 50 0 BEAARN C[C@H](NC(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000043728366 176803214 /nfs/dbraw/zinc/80/32/14/176803214.db2.gz SYQCDGBJUOGBID-AAEUAGOBSA-N 0 0 248.326 2.053 50 0 BEAARN C[C@H](NC(=O)Nc1ccncc1F)C1CC1 ZINC000095940255 176806122 /nfs/dbraw/zinc/80/61/22/176806122.db2.gz KLPJDIDMFKIYII-ZETCQYMHSA-N 0 0 223.251 2.141 50 0 BEAARN C[C@H](NC(=O)OCC(F)(F)F)c1ccncc1 ZINC000048300888 176806526 /nfs/dbraw/zinc/80/65/26/176806526.db2.gz IXTOVYGLRSQHFZ-ZETCQYMHSA-N 0 0 248.204 2.431 50 0 BEAARN C[C@H](NC(=O)c1ccc2c(c1)CCO2)C1CC1 ZINC000023111382 176818165 /nfs/dbraw/zinc/81/81/65/176818165.db2.gz MOMCQSQRLIVDCF-VIFPVBQESA-N 0 0 231.295 2.150 50 0 BEAARN C[C@H](NS(C)(=O)=O)c1ccc(Cl)s1 ZINC000039971765 176886669 /nfs/dbraw/zinc/88/66/69/176886669.db2.gz OAGPVEHSINSXOA-YFKPBYRVSA-N 0 0 239.749 2.012 50 0 BEAARN C[C@H](Nc1ccc2nncn2n1)c1ccccc1 ZINC000020730097 176935176 /nfs/dbraw/zinc/93/51/76/176935176.db2.gz MZJWHOKJUQBVSF-JTQLQIEISA-N 0 0 239.282 2.297 50 0 BEAARN C[C@H](O)Cn1c2ccccc2[nH]c1=S ZINC000033845624 177002869 /nfs/dbraw/zinc/00/28/69/177002869.db2.gz DMDXJRMUNCFICA-ZETCQYMHSA-N 0 0 208.286 2.080 50 0 BEAARN C[C@H](O)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000072160564 177017983 /nfs/dbraw/zinc/01/79/83/177017983.db2.gz PXWXFSDBNAYILL-QMMMGPOBSA-N 0 0 237.690 2.033 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)N1CCCCC1 ZINC000006467754 177023830 /nfs/dbraw/zinc/02/38/30/177023830.db2.gz IYIPXJOGNYSNJP-LBPRGKRZSA-N 0 0 233.311 2.466 50 0 BEAARN C[C@H](Oc1ccccc1Cl)C(=O)N(C)C ZINC000013709580 177024349 /nfs/dbraw/zinc/02/43/49/177024349.db2.gz UAFIIXRPSGXLSD-QMMMGPOBSA-N 0 0 227.691 2.196 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)NCc1ccco1 ZINC000000408633 177024350 /nfs/dbraw/zinc/02/43/50/177024350.db2.gz SIZRKMNHNQIAII-NSHDSACASA-N 0 0 245.278 2.363 50 0 BEAARN C[C@H](SC[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000092338527 177027361 /nfs/dbraw/zinc/02/73/61/177027361.db2.gz IWXFFWPZXPAOCY-KXUCPTDWSA-N 0 0 215.362 2.420 50 0 BEAARN C[C@H](SCc1ccc(Cl)cc1)C(N)=O ZINC000007483519 177027988 /nfs/dbraw/zinc/02/79/88/177027988.db2.gz HKHSQQUGCAINBW-ZETCQYMHSA-N 0 0 229.732 2.447 50 0 BEAARN C[C@@H](S[C@@H](C)c1ccccc1F)C(N)=O ZINC000048681396 177028450 /nfs/dbraw/zinc/02/84/50/177028450.db2.gz JHDFKNYBYMQRGO-JGVFFNPUSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@H](Sc1nccnc1N)C(F)(F)F ZINC000306630344 177029973 /nfs/dbraw/zinc/02/99/73/177029973.db2.gz MAYVBJKMQSORES-BYPYZUCNSA-N 0 0 223.223 2.102 50 0 BEAARN C[C@H](c1ccncc1)N(C)Cc1csnn1 ZINC000097113686 177049703 /nfs/dbraw/zinc/04/97/03/177049703.db2.gz PYEGVRTWCXSPHJ-SECBINFHSA-N 0 0 234.328 2.126 50 0 BEAARN C[C@H](C1N=NC(=S)N1c1ccccc1)N(C)C ZINC000019229945 177053953 /nfs/dbraw/zinc/05/39/53/177053953.db2.gz OJONJYAZSYAMQP-SECBINFHSA-N 0 0 248.355 2.179 50 0 BEAARN C[C@H]1CC(=O)NN=C1c1ccc(Cl)cc1 ZINC000000040331 177063235 /nfs/dbraw/zinc/06/32/35/177063235.db2.gz VECYAKYVLADWSP-ZETCQYMHSA-N 0 0 222.675 2.200 50 0 BEAARN C[C@H]1CCCCN1C(=O)COc1ccccc1 ZINC000005529149 177072589 /nfs/dbraw/zinc/07/25/89/177072589.db2.gz RTSZFAOSHRDVRO-LBPRGKRZSA-N 0 0 233.311 2.466 50 0 BEAARN C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000040466497 177072735 /nfs/dbraw/zinc/07/27/35/177072735.db2.gz HSZLHXYJYTUWHE-FZMZJTMJSA-N 0 0 245.322 2.391 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccccn1 ZINC000006436265 177087891 /nfs/dbraw/zinc/08/78/91/177087891.db2.gz DJHZNCXSQOFNIK-WDEREUQCSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000005675986 177095349 /nfs/dbraw/zinc/09/53/49/177095349.db2.gz QMACGMRTSBRYQY-JTQLQIEISA-N 0 0 247.294 2.287 50 0 BEAARN C[C@H]1CCCN(CNC(=O)c2ccccc2)C1 ZINC000004903187 177100338 /nfs/dbraw/zinc/10/03/38/177100338.db2.gz HGDMSNDOBJQNSW-LBPRGKRZSA-N 0 0 232.327 2.106 50 0 BEAARN C[C@H]1CCCN(Cc2nc(C3CC3)no2)C1 ZINC000043999569 177103358 /nfs/dbraw/zinc/10/33/58/177103358.db2.gz OBZSMPALSFDFJB-VIFPVBQESA-N 0 0 221.304 2.179 50 0 BEAARN C[C@H]1CCC[C@]2(C1)NC(=S)N(C(C)(C)C)N2 ZINC000000139823 177144585 /nfs/dbraw/zinc/14/45/85/177144585.db2.gz IARFFTLYQWSPOS-CABZTGNLSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@H]1CN(C(=O)CC(C)(C)C)C[C@H](C)O1 ZINC000005676500 177213707 /nfs/dbraw/zinc/21/37/07/177213707.db2.gz UKJBMVVQMIRXRG-UWVGGRQHSA-N 0 0 213.321 2.058 50 0 BEAARN C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H](C)O1 ZINC000012409168 177213991 /nfs/dbraw/zinc/21/39/91/177213991.db2.gz UKJBMVVQMIRXRG-AOOOYVTPSA-N 0 0 213.321 2.058 50 0 BEAARN C[C@H]1CN(C(=O)CCc2ccccc2)[C@@H](C)CO1 ZINC000045445957 177215453 /nfs/dbraw/zinc/21/54/53/177215453.db2.gz HZLHZGMDFKMALW-STQMWFEESA-N 0 0 247.338 2.255 50 0 BEAARN C[C@H]1CN(C(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000000397415 177220863 /nfs/dbraw/zinc/22/08/63/177220863.db2.gz LFHHDZKHOKRJTJ-RYUDHWBXSA-N 0 0 248.326 2.005 50 0 BEAARN C[C@H]1CN(C(=O)Nc2ccccc2)C[C@H](C)O1 ZINC000000396931 177221126 /nfs/dbraw/zinc/22/11/26/177221126.db2.gz MGCIRSKGOOGNNJ-QWRGUYRKSA-N 0 0 234.299 2.328 50 0 BEAARN C[C@H]1CN(Cc2cccc3cccnc32)CCO1 ZINC000036391842 177265116 /nfs/dbraw/zinc/26/51/16/177265116.db2.gz DHDTZALRTNOJTO-LBPRGKRZSA-N 0 0 242.322 2.456 50 0 BEAARN C[C@H]1COCCN1Cc1cccc(F)c1F ZINC000046775264 177292653 /nfs/dbraw/zinc/29/26/53/177292653.db2.gz MVOVGZLYJTYBHQ-VIFPVBQESA-N 0 0 227.254 2.186 50 0 BEAARN C[C@@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CO1 ZINC000065604348 177300953 /nfs/dbraw/zinc/30/09/53/177300953.db2.gz NEQDQLFXXVXBEL-WDEREUQCSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@H]1C[C@@H](Nc2ncccc2F)CCO1 ZINC000220114996 177334808 /nfs/dbraw/zinc/33/48/08/177334808.db2.gz NRWMCLFLTUTRAO-IUCAKERBSA-N 0 0 210.252 2.200 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000058393758 177340511 /nfs/dbraw/zinc/34/05/11/177340511.db2.gz WHYVVYQRRWBCCY-GWCFXTLKSA-N 0 0 230.311 2.229 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000013019327 177340542 /nfs/dbraw/zinc/34/05/42/177340542.db2.gz ZTPCUNRIPJRXME-GWCFXTLKSA-N 0 0 242.322 2.483 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N1CCc2ccccc21 ZINC000032999932 177376154 /nfs/dbraw/zinc/37/61/54/177376154.db2.gz VRHKNDXADWWYPA-GXSJLCMTSA-N 0 0 201.269 2.232 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2n1C ZINC000097377808 177376440 /nfs/dbraw/zinc/37/64/40/177376440.db2.gz VHVNIXDJXNEZLR-VHSXEESVSA-N 0 0 243.310 2.192 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000013327466 177377172 /nfs/dbraw/zinc/37/71/72/177377172.db2.gz NQAWCQGNPRMSIH-GZMMTYOYSA-N 0 0 207.248 2.098 50 0 BEAARN Cc1c(C(=O)N(C)C)oc2c1C(=O)CC(C)(C)C2 ZINC000005322757 177559519 /nfs/dbraw/zinc/55/95/19/177559519.db2.gz SVGDEPWBXJTINS-UHFFFAOYSA-N 0 0 249.310 2.445 50 0 BEAARN Cc1c(C(=O)N(C)C2CCC(C)CC2)cnn1C ZINC000058295582 177559657 /nfs/dbraw/zinc/55/96/57/177559657.db2.gz NMVPUWSHOZYUDK-UHFFFAOYSA-N 0 0 249.358 2.379 50 0 BEAARN Cc1c(C(=O)N(C)C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013019372 177560287 /nfs/dbraw/zinc/56/02/87/177560287.db2.gz UWKWHPGKQFJOBW-UHFFFAOYSA-N 0 0 248.326 2.180 50 0 BEAARN COC(=O)c1c(O)ccc2c1CCCC2 ZINC000035904727 487675900 /nfs/dbraw/zinc/67/59/00/487675900.db2.gz FGZPUQMMDVJQQN-UHFFFAOYSA-N 0 0 206.241 2.058 50 0 BEAARN CCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000031943897 487681826 /nfs/dbraw/zinc/68/18/26/487681826.db2.gz WXWXYBKMEUZHBE-UHFFFAOYSA-N 0 0 218.256 2.287 50 0 BEAARN Cc1nc(N)sc1-c1ccn(CC2CC2)n1 ZINC000299761161 487802454 /nfs/dbraw/zinc/80/24/54/487802454.db2.gz SONQPBJAOVVCNA-UHFFFAOYSA-N 0 0 234.328 2.307 50 0 BEAARN CC(C)(C)OC(=O)N1CCCc2n[nH]cc21 ZINC000076818234 487840723 /nfs/dbraw/zinc/84/07/23/487840723.db2.gz VUEOIIWQDOZFFL-UHFFFAOYSA-N 0 0 223.276 2.097 50 0 BEAARN Cc1cc(-c2ccc(C(=O)NC3CC3)s2)n[nH]1 ZINC000534633081 323156876 /nfs/dbraw/zinc/15/68/76/323156876.db2.gz SBZQIOJXETVGJG-UHFFFAOYSA-N 0 0 247.323 2.339 50 0 BEAARN O=C(NC1(C2CCCCC2)CC1)c1cncnc1 ZINC000534657572 323157944 /nfs/dbraw/zinc/15/79/44/323157944.db2.gz QZVDCVPQAQSGRF-UHFFFAOYSA-N 0 0 245.326 2.319 50 0 BEAARN CC(C)c1ccc(NC[C@@H]2CC2(C)C)nn1 ZINC000534673162 323158941 /nfs/dbraw/zinc/15/89/41/323158941.db2.gz UOVDRGVXUBHAJG-JTQLQIEISA-N 0 0 219.332 2.480 50 0 BEAARN CCn1nccc1-c1ccc(OC)c(CO)c1 ZINC000534675421 323159888 /nfs/dbraw/zinc/15/98/88/323159888.db2.gz DUUOUZLPSNOOCT-UHFFFAOYSA-N 0 0 232.283 2.071 50 0 BEAARN COc1ccc(OC)c(CNc2cc[nH]n2)c1 ZINC000083925578 487967140 /nfs/dbraw/zinc/96/71/40/487967140.db2.gz VLYCANYFZAFUQF-UHFFFAOYSA-N 0 0 233.271 2.039 50 0 BEAARN C[C@@H]1CN(C(=O)C2CCC2)C[C@@H](C)S1 ZINC000089937061 325671232 /nfs/dbraw/zinc/67/12/32/325671232.db2.gz HNPMPRCBBDFCIN-RKDXNWHRSA-N 0 0 213.346 2.139 50 0 BEAARN CC1(C)CCN1C(=O)c1c[nH]c2ncccc12 ZINC000089919477 325671278 /nfs/dbraw/zinc/67/12/78/325671278.db2.gz XOYFVHWJZLJIPO-UHFFFAOYSA-N 0 0 229.283 2.187 50 0 BEAARN O=C([O-])C[N@H+](CCc1ccccc1)CC1CCC1 ZINC000567612155 326229061 /nfs/dbraw/zinc/22/90/61/326229061.db2.gz AMKHGXUOMYAOGH-UHFFFAOYSA-N 0 0 247.338 2.416 50 0 BEAARN Cc1cc(C)cc(C(=O)N(C)C[C@H](O)C2CC2)c1 ZINC000084083513 487997759 /nfs/dbraw/zinc/99/77/59/487997759.db2.gz ZIYSKIOVSSUGMA-AWEZNQCLSA-N 0 0 247.338 2.146 50 0 BEAARN Cc1cc(C)cc(C(=O)N(C)C[C@@H](O)C2CC2)c1 ZINC000084083516 487997893 /nfs/dbraw/zinc/99/78/93/487997893.db2.gz ZIYSKIOVSSUGMA-CQSZACIVSA-N 0 0 247.338 2.146 50 0 BEAARN O=C(Nc1ccc2n[nH]cc2c1)c1ccc[nH]1 ZINC000078592051 488029341 /nfs/dbraw/zinc/02/93/41/488029341.db2.gz YABCYWQDIKJEOG-UHFFFAOYSA-N 0 0 226.239 2.143 50 0 BEAARN CCc1oc(C(=O)OCc2nccn2C)cc1C ZINC000091108450 488030139 /nfs/dbraw/zinc/03/01/39/488030139.db2.gz MVDVBLNCSMHXKL-UHFFFAOYSA-N 0 0 248.282 2.241 50 0 BEAARN CCc1ccccc1C(=O)OCc1nccn1C ZINC000091109298 488031462 /nfs/dbraw/zinc/03/14/62/488031462.db2.gz HLRCEWIZIRPMDP-UHFFFAOYSA-N 0 0 244.294 2.340 50 0 BEAARN COc1cccc(C(=O)Nc2ccccc2O)n1 ZINC000084382838 488048321 /nfs/dbraw/zinc/04/83/21/488048321.db2.gz LXIMBKMLWYWRHZ-UHFFFAOYSA-N 0 0 244.250 2.048 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000012873179 488048825 /nfs/dbraw/zinc/04/88/25/488048825.db2.gz SXUALQAPNYWDRX-SECBINFHSA-N 0 0 244.294 2.056 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCc1cccc(N(C)C)c1 ZINC000084686919 488080149 /nfs/dbraw/zinc/08/01/49/488080149.db2.gz BHOUCIBMVXXFAC-MFKMUULPSA-N 0 0 232.327 2.025 50 0 BEAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)COCC ZINC000084740613 488089478 /nfs/dbraw/zinc/08/94/78/488089478.db2.gz ISYWTVBTJQEQGZ-NEPJUHHUSA-N 0 0 227.348 2.498 50 0 BEAARN CCc1cc(OCCNC(C)=O)ccc1Cl ZINC000670422177 487474523 /nfs/dbraw/zinc/47/45/23/487474523.db2.gz UKIWJDLGODZPSC-UHFFFAOYSA-N 0 0 241.718 2.417 50 0 BEAARN CC[C@@H](NC(=O)CCSC)c1nc(C)c[nH]1 ZINC000670459814 487512034 /nfs/dbraw/zinc/51/20/34/487512034.db2.gz DAWSGHOTGNAMTH-SECBINFHSA-N 0 0 241.360 2.039 50 0 BEAARN c1cnc(-c2n[nH]c(CCC3CCCC3)n2)nc1 ZINC000670460667 487512204 /nfs/dbraw/zinc/51/22/04/487512204.db2.gz SYUJVRBESNWCCY-UHFFFAOYSA-N 0 0 243.314 2.385 50 0 BEAARN CCCOC[C@@H]1CCN(c2nc(C)cc(C)n2)C1 ZINC000670465088 487518573 /nfs/dbraw/zinc/51/85/73/487518573.db2.gz LFGYQKZXOBSHRE-CYBMUJFWSA-N 0 0 249.358 2.346 50 0 BEAARN O=C([C@@H]1CCCC(F)(F)C1)N1CC2(CC2)C1 ZINC000334872130 487575925 /nfs/dbraw/zinc/57/59/25/487575925.db2.gz JPMXDNGWJHPFDC-SECBINFHSA-N 0 0 229.270 2.434 50 0 BEAARN Nc1nc(-c2ccco2)nnc1-c1ccccc1 ZINC000085432611 488171327 /nfs/dbraw/zinc/17/13/27/488171327.db2.gz PLPHRWHMCPZVRQ-UHFFFAOYSA-N 0 0 238.250 2.381 50 0 BEAARN COC(=O)c1cc2ccc(N)cc2s1 ZINC000034581882 490106285 /nfs/dbraw/zinc/10/62/85/490106285.db2.gz XIUHYFQAAXIVBY-UHFFFAOYSA-N 0 0 207.254 2.270 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(C2(O)CC2)CC1 ZINC000217100226 490154605 /nfs/dbraw/zinc/15/46/05/490154605.db2.gz XMSXGAXRHKVGGK-UHFFFAOYSA-N 0 0 241.331 2.158 50 0 BEAARN CC(C)(C)N(C(=O)[O-])[C@@H](C[NH3+])c1ccccc1 ZINC000071788776 490278196 /nfs/dbraw/zinc/27/81/96/490278196.db2.gz MCJRHIJSBHRKKG-NSHDSACASA-N 0 0 236.315 2.465 50 0 BEAARN COC(=O)[C@H](NCc1ccc(C)o1)C(C)(C)C ZINC000097162277 490326063 /nfs/dbraw/zinc/32/60/63/490326063.db2.gz HLKYVSSAGAORPD-NSHDSACASA-N 0 0 239.315 2.265 50 0 BEAARN CC(=O)N(C)c1ccc2c(c1)CCCC2=O ZINC000038997450 491069668 /nfs/dbraw/zinc/06/96/68/491069668.db2.gz ZMERYOJBRBDPDK-UHFFFAOYSA-N 0 0 217.268 2.188 50 0 BEAARN CC[C@@H](NS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000072140015 491122457 /nfs/dbraw/zinc/12/24/57/491122457.db2.gz NYVZRKMDVUIODG-GFCCVEGCSA-N 0 0 241.356 2.304 50 0 BEAARN CC(C)N(C)C(=O)Nc1ccncc1F ZINC000097135960 491125424 /nfs/dbraw/zinc/12/54/24/491125424.db2.gz BYDBGNBNQLIKJR-UHFFFAOYSA-N 0 0 211.240 2.093 50 0 BEAARN CC(C)C(=O)c1nc(C2OCCO2)cs1 ZINC000757125713 582499929 /nfs/dbraw/zinc/49/99/29/582499929.db2.gz SZAOVEOZBPPUGV-UHFFFAOYSA-N 0 0 227.285 2.027 50 0 BEAARN O=C([O-])[C@H]1[NH2+]CCC[C@H]1C1CCCCC1 ZINC000139549067 582539999 /nfs/dbraw/zinc/53/99/99/582539999.db2.gz GLJDBGLMCFJXLJ-QWRGUYRKSA-N 0 0 211.305 2.020 50 0 BEAARN CCOCCCC(=O)Oc1cccnc1Cl ZINC000089986903 521697507 /nfs/dbraw/zinc/69/75/07/521697507.db2.gz FEWPDWPGOZSFKQ-UHFFFAOYSA-N 0 0 243.690 2.457 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)C[C@@H]2C1 ZINC000083338893 517383404 /nfs/dbraw/zinc/38/34/04/517383404.db2.gz WUSRHFOXQKJMKP-VHSXEESVSA-N 0 0 239.315 2.223 50 0 BEAARN Cc1ccc(C)c(C(=O)N2CCSCC2)c1 ZINC000040542048 518188443 /nfs/dbraw/zinc/18/84/43/518188443.db2.gz QLLPHAPCCOFEHV-UHFFFAOYSA-N 0 0 235.352 2.492 50 0 BEAARN CC(C)(C)[C@H]1C[C@@H]2C[C@H](CO)C[C@H](C1)[C@H]2O ZINC000253623371 518981140 /nfs/dbraw/zinc/98/11/40/518981140.db2.gz LOIWTPLUDGDWQK-XXCSZPINSA-N 0 0 226.360 2.438 50 0 BEAARN CCCCCC(=O)OCc1nncn1C1CC1 ZINC000089492322 519940759 /nfs/dbraw/zinc/94/07/59/519940759.db2.gz BJGOFDYQFGEMKW-UHFFFAOYSA-N 0 0 237.303 2.237 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)[C@H]1CCCO1 ZINC000002740159 521036312 /nfs/dbraw/zinc/03/63/12/521036312.db2.gz BALJFIJZWAYPQU-VXGBXAGGSA-N 0 0 227.348 2.498 50 0 BEAARN CCCC[C@H](CC)CNC(=O)[C@@H]1CCOC1 ZINC000069311128 521176510 /nfs/dbraw/zinc/17/65/10/521176510.db2.gz MHBDSUNABQRGHC-NWDGAFQWSA-N 0 0 227.348 2.356 50 0 BEAARN CCOCCCNC(=O)CCc1ccccc1 ZINC000002805274 521710505 /nfs/dbraw/zinc/71/05/05/521710505.db2.gz GIZPAIRXPICIGW-UHFFFAOYSA-N 0 0 235.327 2.162 50 0 BEAARN CCc1nc(CN(C)[C@@H](C)c2cccnc2)no1 ZINC000089289992 522291353 /nfs/dbraw/zinc/29/13/53/522291353.db2.gz VRCQVPPJWHEUCA-JTQLQIEISA-N 0 0 246.314 2.220 50 0 BEAARN COc1cc(F)ccc1N(C)CCCCCO ZINC000075143812 522597859 /nfs/dbraw/zinc/59/78/59/522597859.db2.gz VACXACFNUWABQE-UHFFFAOYSA-N 0 0 241.306 2.433 50 0 BEAARN CN(CC1(O)CCC1)c1ccncc1Cl ZINC000390833681 522600494 /nfs/dbraw/zinc/60/04/94/522600494.db2.gz LJIAIECADCPNMF-UHFFFAOYSA-N 0 0 226.707 2.086 50 0 BEAARN CN(CCOc1ccccc1F)Cc1ncc[nH]1 ZINC000069705025 522922956 /nfs/dbraw/zinc/92/29/56/522922956.db2.gz BAGOAJDYOODHEH-UHFFFAOYSA-N 0 0 249.289 2.060 50 0 BEAARN CN(C(=O)CSCC1CCC1)C1CC1 ZINC000089334657 523838205 /nfs/dbraw/zinc/83/82/05/523838205.db2.gz HYDISPQIMUXKOK-UHFFFAOYSA-N 0 0 213.346 2.141 50 0 BEAARN CC[C@H](C)NC(=O)COC(=O)c1ccc(C)cc1 ZINC000057487352 523974438 /nfs/dbraw/zinc/97/44/38/523974438.db2.gz OYWSNOYNXMRZMA-NSHDSACASA-N 0 0 249.310 2.067 50 0 BEAARN COC(=O)C1=C(O)CC[C@H](C(C)(C)C)C1 ZINC000084199444 523980730 /nfs/dbraw/zinc/98/07/30/523980730.db2.gz VIIDTQNSMYMAIY-IUCAKERBSA-N 0 0 212.289 2.191 50 0 BEAARN COC(=O)[C@](C)(N)c1ccccc1C(F)(F)F ZINC000037514699 524002431 /nfs/dbraw/zinc/00/24/31/524002431.db2.gz KUPGWMNVPSHOKW-SNVBAGLBSA-N 0 0 247.216 2.052 50 0 biogenic BEAARN C[C@@H](CCO)SCc1nc(C(C)(C)C)no1 ZINC000071922072 524515709 /nfs/dbraw/zinc/51/57/09/524515709.db2.gz TVYQMLPFXFGKOL-QMMMGPOBSA-N 0 0 244.360 2.371 50 0 BEAARN CSCCCNC(=O)NCC1(C2CC2)CC1 ZINC000089493712 525465689 /nfs/dbraw/zinc/46/56/89/525465689.db2.gz VJEOQPCMIJMBFM-UHFFFAOYSA-N 0 0 242.388 2.229 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@]1(CO1)C2 ZINC000299803791 534866350 /nfs/dbraw/zinc/86/63/50/534866350.db2.gz CPDRWKNXZSZLBV-IWIIMEHWSA-N 0 0 239.315 2.317 50 0 BEAARN C[C@H](CC(=O)c1ccccc1)NC(=O)[C@H]1C[C@H]1C ZINC000248163303 526253963 /nfs/dbraw/zinc/25/39/63/526253963.db2.gz MYYFCSUERNVDTI-WZRBSPASSA-N 0 0 245.322 2.420 50 0 BEAARN O=C(NCCOc1cccc(F)c1)C1CCC1 ZINC000040089137 526361834 /nfs/dbraw/zinc/36/18/34/526361834.db2.gz YOFCCHZSQBLZHY-UHFFFAOYSA-N 0 0 237.274 2.121 50 0 BEAARN O=C(OCCCc1ccncc1)C1=CCCCO1 ZINC000089884937 526418447 /nfs/dbraw/zinc/41/84/47/526418447.db2.gz LLQPTPRKSMKUGH-UHFFFAOYSA-N 0 0 247.294 2.252 50 0 BEAARN c1coc(CNc2ccnn2C[C@H]2CCOC2)c1 ZINC000236616081 526567405 /nfs/dbraw/zinc/56/74/05/526567405.db2.gz AFCJJROBJAZAJR-LLVKDONJSA-N 0 0 247.298 2.125 50 0 BEAARN O=C(NCc1ccncc1)NC[C@@H]1CC=CCC1 ZINC000060128058 526792391 /nfs/dbraw/zinc/79/23/91/526792391.db2.gz DYUFTRGDDGJSFK-GFCCVEGCSA-N 0 0 245.326 2.237 50 0 BEAARN NS(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000300822588 527319492 /nfs/dbraw/zinc/31/94/92/527319492.db2.gz IXFNZUXTHSNBMS-UHFFFAOYSA-N 0 0 247.275 2.233 50 0 BEAARN Nc1ccc([S@@](=O)c2ccccc2)cc1 ZINC000019928437 527505127 /nfs/dbraw/zinc/50/51/27/527505127.db2.gz GRRWNBJRFZQISJ-OAHLLOKOSA-N 0 0 217.293 2.436 50 0 BEAARN CCCCC(=O)N1CCN(CC)c2ncccc21 ZINC000064663080 534931348 /nfs/dbraw/zinc/93/13/48/534931348.db2.gz SBCWCDKIBHCDLG-UHFFFAOYSA-N 0 0 247.342 2.445 50 0 BEAARN CC(C)CCc1cc(=O)[nH]c(N2CCCCC2)n1 ZINC000015109389 534966257 /nfs/dbraw/zinc/96/62/57/534966257.db2.gz SIOTUAQNPIEQJN-UHFFFAOYSA-N 0 0 249.358 2.349 50 0 BEAARN CCC/C=C/c1nccc(N2CCC[C@H](O)C2)n1 ZINC000067921538 535225920 /nfs/dbraw/zinc/22/59/20/535225920.db2.gz LXKCAWXWWYDOJC-NTYUQYKDSA-N 0 0 247.342 2.251 50 0 BEAARN CCNC(=O)c1cccnc1N1CCC(C)CC1 ZINC000064552293 535450311 /nfs/dbraw/zinc/45/03/11/535450311.db2.gz LSPVORAVMXWQBM-UHFFFAOYSA-N 0 0 247.342 2.068 50 0 BEAARN CCOC(=O)C1CCN(c2ccccc2N)CC1 ZINC000026896364 535604056 /nfs/dbraw/zinc/60/40/56/535604056.db2.gz JGVAQBPBZSYFRN-UHFFFAOYSA-N 0 0 248.326 2.048 50 0 BEAARN CCN(C)c1ccnc(N(C)Cc2ccoc2)n1 ZINC000065465966 535765455 /nfs/dbraw/zinc/76/54/55/535765455.db2.gz UKPBVFPEIRHANV-UHFFFAOYSA-N 0 0 246.314 2.162 50 0 BEAARN COC(=O)c1ccc(N2CCC(C)CC2)c(N)c1 ZINC000000216554 536731036 /nfs/dbraw/zinc/73/10/36/536731036.db2.gz UVZAQKMDOJJJTA-UHFFFAOYSA-N 0 0 248.326 2.292 50 0 BEAARN C[C@@H]1CCCCCN1C(=O)C1=CCCCO1 ZINC000073679726 582642256 /nfs/dbraw/zinc/64/22/56/582642256.db2.gz QECYMMPXSFBYHH-LLVKDONJSA-N 0 0 223.316 2.472 50 0 BEAARN CCOC(=O)/C=C/c1ccc(Cl)c(N)c1 ZINC000146299113 582697314 /nfs/dbraw/zinc/69/73/14/582697314.db2.gz KPRVWKGRKVPNCZ-GQCTYLIASA-N 0 0 225.675 2.499 50 0 BEAARN Cc1ccc(F)c(N[C@@H]2CCNC(=O)CC2)c1 ZINC000888099267 583181035 /nfs/dbraw/zinc/18/10/35/583181035.db2.gz YHRSTUFSKQKDQV-JTQLQIEISA-N 0 0 236.290 2.215 50 0 BEAARN C=CC(=O)Nc1nccn1Cc1ccccc1F ZINC000888098772 583181154 /nfs/dbraw/zinc/18/11/54/583181154.db2.gz NQBLDXYPFONCET-UHFFFAOYSA-N 0 0 245.257 2.195 50 0 BEAARN C=CC(=O)N[C@H](C)c1csc(C2CC2)n1 ZINC000888102319 583182885 /nfs/dbraw/zinc/18/28/85/583182885.db2.gz MBLJSUHGYPHKJW-SSDOTTSWSA-N 0 0 222.313 2.384 50 0 BEAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1O ZINC000071372403 585164914 /nfs/dbraw/zinc/16/49/14/585164914.db2.gz MAONMXZZIKVZBB-NXEZZACHSA-N 0 0 229.320 2.062 50 0 BEAARN C=CC(=O)NC1(c2nccs2)CCCC1 ZINC000791366561 585979034 /nfs/dbraw/zinc/97/90/34/585979034.db2.gz KSORUTKBWKYUEH-UHFFFAOYSA-N 0 0 222.313 2.215 50 0 BEAARN C=CC(=O)N[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000791369594 585979255 /nfs/dbraw/zinc/97/92/55/585979255.db2.gz AALSTSHWSIMFQS-NEPJUHHUSA-N 0 0 237.343 2.417 50 0 BEAARN C=CC(=O)N[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000791377753 585979571 /nfs/dbraw/zinc/97/95/71/585979571.db2.gz VGSJLFHHQXFYQQ-WDEREUQCSA-N 0 0 223.316 2.026 50 0 BEAARN C=CC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000791393134 585980293 /nfs/dbraw/zinc/98/02/93/585980293.db2.gz ABSWQZNNUKORSF-UHFFFAOYSA-N 0 0 237.686 2.077 50 0 BEAARN C=CC(=O)N1CCOC2(C1)CCCCCC2 ZINC000848979669 588423242 /nfs/dbraw/zinc/42/32/42/588423242.db2.gz WMORZZXICRLDTL-UHFFFAOYSA-N 0 0 223.316 2.124 50 0 BEAARN C=CC(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000848979683 588423285 /nfs/dbraw/zinc/42/32/85/588423285.db2.gz XUHUPBNRZBSPLL-UWVGGRQHSA-N 0 0 211.330 2.059 50 0 BEAARN C=CC(=O)N1CC[C@H]1Cc1ccccc1 ZINC000848979691 588423298 /nfs/dbraw/zinc/42/32/98/588423298.db2.gz YAZAGNJLYFFSAB-LBPRGKRZSA-N 0 0 201.269 2.016 50 0 BEAARN C=CC(=O)NC[C@@H]1SCCc2ccccc21 ZINC000848979641 588423374 /nfs/dbraw/zinc/42/33/74/588423374.db2.gz VAQNFHRIXCOTCH-LBPRGKRZSA-N 0 0 233.336 2.319 50 0 BEAARN C=CC(=O)N1CCC(c2ccco2)CC1 ZINC000863970433 589329661 /nfs/dbraw/zinc/32/96/61/589329661.db2.gz JTLRYTSQHQCLMY-UHFFFAOYSA-N 0 0 205.257 2.172 50 0 BEAARN C=CC(=O)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000863971160 589330165 /nfs/dbraw/zinc/33/01/65/589330165.db2.gz HKPJZSNDOWAKHD-UHFFFAOYSA-N 0 0 246.285 2.327 50 0 BEAARN C=CC(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000863971205 589330289 /nfs/dbraw/zinc/33/02/89/589330289.db2.gz JCAZSBZVLUNEQV-ZDUSSCGKSA-N 0 0 219.259 2.270 50 0 BEAARN C=CC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000863971260 589330304 /nfs/dbraw/zinc/33/03/04/589330304.db2.gz MCEFGQLVVCMVHN-CHWSQXEVSA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000863971118 589330329 /nfs/dbraw/zinc/33/03/29/589330329.db2.gz FYVDYOFTCRULKX-CYBMUJFWSA-N 0 0 244.338 2.205 50 0 BEAARN C=CC(=O)NC[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000863971321 589330785 /nfs/dbraw/zinc/33/07/85/589330785.db2.gz OSVUTGFALIANQR-QWHCGFSZSA-N 0 0 231.295 2.209 50 0 BEAARN Cn1ccnc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000871596261 589771272 /nfs/dbraw/zinc/77/12/72/589771272.db2.gz AVGZHGUVCILLEK-ZDUSSCGKSA-N 0 0 244.294 2.255 50 0 BEAARN C[C@@H](O)c1ccn(Cc2cnc(Cl)s2)n1 ZINC000133766426 591856170 /nfs/dbraw/zinc/85/61/70/591856170.db2.gz FEPCRHHEDYFVEO-ZCFIWIBFSA-N 0 0 243.719 2.095 50 0 BEAARN c1cc(Cc2nnc3n2CCCC3)cs1 ZINC000887283142 592476493 /nfs/dbraw/zinc/47/64/93/592476493.db2.gz TZRIVPQFEDRLML-UHFFFAOYSA-N 0 0 219.313 2.267 50 0 BEAARN CNc1nsc(C(=O)c2ccc(C)cc2)c1N ZINC000004839327 634614258 /nfs/dbraw/zinc/61/42/58/634614258.db2.gz WACKBFWKYNVGRE-UHFFFAOYSA-N 0 0 247.323 2.306 50 0 BEAARN O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc(F)c[nH]1 ZINC000335523354 631236303 /nfs/dbraw/zinc/23/63/03/631236303.db2.gz USCUOYHOYWQEHB-VXNVDRBHSA-N 0 0 228.242 2.164 50 0 BEAARN O=C(N[C@H]1CCC[C@@H](F)C1)c1cc(F)c[nH]1 ZINC000335523351 631236846 /nfs/dbraw/zinc/23/68/46/631236846.db2.gz USCUOYHOYWQEHB-APPZFPTMSA-N 0 0 228.242 2.164 50 0 BEAARN Fc1cccc(CCCn2cncn2)c1 ZINC000097047943 631242187 /nfs/dbraw/zinc/24/21/87/631242187.db2.gz SZRKBZFSWSLPJH-UHFFFAOYSA-N 0 0 205.236 2.050 50 0 BEAARN C[C@H]([NH2+]C1CC(C(=O)[O-])C1)c1ccccc1 ZINC000259229193 631816595 /nfs/dbraw/zinc/81/65/95/631816595.db2.gz KWKMNMHKNBBMHG-GCVQQVDUSA-N 0 0 219.284 2.200 50 0 BEAARN CCCCOc1nc(N)nc(-c2ccccc2)n1 ZINC000002913712 631975308 /nfs/dbraw/zinc/97/53/08/631975308.db2.gz CBEJJXRWHPEGCE-UHFFFAOYSA-N 0 0 244.298 2.300 50 0 BEAARN CCC/C=C/c1cc(C)nc(N2CCOCC2)n1 ZINC000426582836 635733020 /nfs/dbraw/zinc/73/30/20/635733020.db2.gz OQKCWQZXHHKKNM-AATRIKPKSA-N 0 0 247.342 2.435 50 0 BEAARN CCn1nccc1NC(=O)CCC1(C)CC1 ZINC000019794664 633800729 /nfs/dbraw/zinc/80/07/29/633800729.db2.gz IYJGSCYCCIOOHN-UHFFFAOYSA-N 0 0 221.304 2.422 50 0 BEAARN Nc1ncc(-c2cccc(-c3cc[nH]n3)c2)cn1 ZINC000020909459 633814650 /nfs/dbraw/zinc/81/46/50/633814650.db2.gz LJKGORFTHKFSRV-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN C=CC(=O)N1CCCC[C@@H]1c1ccc(F)cn1 ZINC000888098516 635376357 /nfs/dbraw/zinc/37/63/57/635376357.db2.gz KATFSLSBJXPAEK-GFCCVEGCSA-N 0 0 234.274 2.460 50 0 BEAARN COc1ccc(NC(=O)/C=C\c2ccco2)cn1 ZINC000096523342 636974884 /nfs/dbraw/zinc/97/48/84/636974884.db2.gz MOJCAEZDVJTTAW-WAYWQWQTSA-N 0 0 244.250 2.335 50 0 BEAARN CC1(C)CC(=O)N(Cc2ccccc2)[C@]1(C)O ZINC000006617167 636977199 /nfs/dbraw/zinc/97/71/99/636977199.db2.gz QLALGABCBOWXEQ-CQSZACIVSA-N 0 0 233.311 2.154 50 0 BEAARN CCOC(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000058536571 640715810 /nfs/dbraw/zinc/71/58/10/640715810.db2.gz IQYKHFGYZURTTK-GQCTYLIASA-N 0 0 234.251 2.034 50 0 BEAARN CC(C)CC[C@H](C)n1cnc2nccnc2c1=O ZINC000032500739 641334005 /nfs/dbraw/zinc/33/40/05/641334005.db2.gz SWSDUQOUBTVYNP-JTQLQIEISA-N 0 0 246.314 2.184 50 0 BEAARN COc1ncccc1-c1ccc2c(c1)OCO2 ZINC000032577609 641388851 /nfs/dbraw/zinc/38/88/51/641388851.db2.gz MSHXJQIEICXZFZ-UHFFFAOYSA-N 0 0 229.235 2.486 50 0 BEAARN COc1cc2occ(C=O)c(=O)c2cc1Cl ZINC000033495271 642180097 /nfs/dbraw/zinc/18/00/97/642180097.db2.gz MUWBTQKDKLNAPC-UHFFFAOYSA-N 0 0 238.626 2.268 50 0 BEAARN O=C(N[C@@H]1CCCC[C@H]1F)c1ccncc1 ZINC000335201636 642514679 /nfs/dbraw/zinc/51/46/79/642514679.db2.gz VDCMQXOEFGYOQE-GHMZBOCLSA-N 0 0 222.263 2.092 50 0 BEAARN COCn1nc(-c2ccccc2)oc1=S ZINC000000272676 642764178 /nfs/dbraw/zinc/76/41/78/642764178.db2.gz CVVGXIJBYZTCIC-UHFFFAOYSA-N 0 0 222.269 2.476 50 0 BEAARN O=C(Oc1ccc(O)c(CO)c1)c1ccccc1 ZINC000000451208 642777450 /nfs/dbraw/zinc/77/74/50/642777450.db2.gz OCZPHMSJVDFWIC-UHFFFAOYSA-N 0 0 244.246 2.104 50 0 BEAARN CCCCn1ccc(Br)cc1=O ZINC000115094233 642977662 /nfs/dbraw/zinc/97/76/62/642977662.db2.gz YGDYYFREKABGJV-UHFFFAOYSA-N 0 0 230.105 2.411 50 0 BEAARN C[C@H]1O[PH]2(O[C@@H]1C)O[C@H](C)[C@H](C)O2 ZINC000017820655 643023719 /nfs/dbraw/zinc/02/37/19/643023719.db2.gz USZIXCLPMCTBKB-XUTVFYLZSA-N 0 0 208.194 2.044 50 0 BEAARN CCC[C@@H](Nc1ccccn1)n1cncn1 ZINC000019299965 643038527 /nfs/dbraw/zinc/03/85/27/643038527.db2.gz GIQOSNWBMQZEDH-NSHDSACASA-N 0 0 217.276 2.084 50 0 BEAARN C[C@H](CCCC(C)(C)O)Nc1ncccn1 ZINC000022034742 643405528 /nfs/dbraw/zinc/40/55/28/643405528.db2.gz YBMRTWVXIVWCON-SNVBAGLBSA-N 0 0 223.320 2.218 50 0 BEAARN O=C(c1c(O)cccc1Cl)N1CCCC1 ZINC000048274243 643595965 /nfs/dbraw/zinc/59/59/65/643595965.db2.gz HXHXRDKKDTTZMQ-UHFFFAOYSA-N 0 0 225.675 2.282 50 0 BEAARN CN(c1ccc(C(C)(C)C)nn1)[C@H]1CCC[C@@H]1O ZINC000952962568 643776466 /nfs/dbraw/zinc/77/64/66/643776466.db2.gz CSHWLUZMQDUWOR-QWRGUYRKSA-N 0 0 249.358 2.124 50 0 BEAARN Cn1ccnc1C(=O)N1CC[C@@H]1c1cccs1 ZINC000952986130 643783216 /nfs/dbraw/zinc/78/32/16/643783216.db2.gz JVDHJJJRQYNQJG-SECBINFHSA-N 0 0 247.323 2.069 50 0 BEAARN CN(CC1(CO)CCCC1)C(=O)[C@@H]1CC1(C)C ZINC000952972222 644445051 /nfs/dbraw/zinc/44/50/51/644445051.db2.gz JHERKOYQNGSTNB-NSHDSACASA-N 0 0 239.359 2.044 50 0 BEAARN CCCC[C@@H](O)CCC(=O)N1CC=CCC1 ZINC000952991962 644448568 /nfs/dbraw/zinc/44/85/68/644448568.db2.gz GEQYCXNSJIBEKJ-GFCCVEGCSA-N 0 0 225.332 2.106 50 0 BEAARN CCC(=O)NCCc1ccc(C(F)(F)F)cn1 ZINC000952990476 644449433 /nfs/dbraw/zinc/44/94/33/644449433.db2.gz PIPAXLAGVDWHRE-UHFFFAOYSA-N 0 0 246.232 2.169 50 0 BEAARN Cc1cc(-c2ccncc2)cnc1-n1cnnc1 ZINC000952985883 644450000 /nfs/dbraw/zinc/45/00/00/644450000.db2.gz IESCDXOCTPJWQS-UHFFFAOYSA-N 0 0 237.266 2.033 50 0 BEAARN COCc1nccc(N[C@@H]2CCC[C@H]2C)n1 ZINC000929084751 645934762 /nfs/dbraw/zinc/93/47/62/645934762.db2.gz IRYIRBFCNPQSHV-NXEZZACHSA-N 0 0 221.304 2.224 50 0 BEAARN C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](C2CCCCC2)[NH2+]1 ZINC000757213800 712583090 /nfs/dbraw/zinc/58/30/90/712583090.db2.gz QZHGIDGLKZIHOG-JLLWLGSASA-N 0 0 225.332 2.408 50 0 BEAARN Cc1nc(-c2cc(C3CC3)nc(N)c2C#N)c[nH]1 ZINC000067756374 710989598 /nfs/dbraw/zinc/98/95/98/710989598.db2.gz HJUKETLOCWJNLR-UHFFFAOYSA-N 0 0 239.282 2.111 50 0 BEAARN CCCNS(=O)(=O)c1ccccc1CCC ZINC000380770039 712903030 /nfs/dbraw/zinc/90/30/30/712903030.db2.gz YNWBTKNMKBNKGE-UHFFFAOYSA-N 0 0 241.356 2.327 50 0 BEAARN C=CC(=O)N1CCc2ccsc2[C@H]1C ZINC000712338755 712397247 /nfs/dbraw/zinc/39/72/47/712397247.db2.gz UFTUMZIJDCRQDN-MRVPVSSYSA-N 0 0 207.298 2.380 50 0 BEAARN C=CC(=O)N1CCc2ccsc2[C@@H]1C ZINC000712338759 712397382 /nfs/dbraw/zinc/39/73/82/712397382.db2.gz UFTUMZIJDCRQDN-QMMMGPOBSA-N 0 0 207.298 2.380 50 0 BEAARN O[C@@H]1CCCC[C@@H]1n1cc(Cl)cn1 ZINC000038053936 712804234 /nfs/dbraw/zinc/80/42/34/712804234.db2.gz HUSKQOMRXWIBPN-DTWKUNHWSA-N 0 0 200.669 2.013 50 0 BEAARN O=C1c2ccccc2C(=O)N1c1ccc(F)nc1 ZINC001772572591 1166268285 /nfs/dbraw/zinc/26/82/85/1166268285.db2.gz LQGPMDQKKCVAHS-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN N#Cc1nc(-c2ccc(Cl)cc2F)cnc1N ZINC000224796848 1166322446 /nfs/dbraw/zinc/32/24/46/1166322446.db2.gz IJMPNLZGZADXOJ-UHFFFAOYSA-N 0 0 248.648 2.390 50 0 BEAARN CNCc1nnc(NCc2ccc(C)c(C)c2)o1 ZINC001772700601 1166508017 /nfs/dbraw/zinc/50/80/17/1166508017.db2.gz CZQOQNOKJAMFBU-UHFFFAOYSA-N 0 0 246.314 2.018 50 0 BEAARN O=C1N[C@H](c2ccccc2)C2(CCC2)O1 ZINC000147049072 1168684255 /nfs/dbraw/zinc/68/42/55/1168684255.db2.gz KXPMWRIYVJYIBJ-SNVBAGLBSA-N 0 0 203.241 2.390 50 0 BEAARN CCOC(=O)CCc1cc(F)c(O)c(F)c1 ZINC000059714561 1169158545 /nfs/dbraw/zinc/15/85/45/1169158545.db2.gz IJAFUGGGBHSCAW-UHFFFAOYSA-N 0 0 230.210 2.166 50 0 BEAARN Cn1c(OCC2CCC2)nc2cccnc21 ZINC000585654981 973925380 /nfs/dbraw/zinc/92/53/80/973925380.db2.gz PJIMMVAYICUZFA-UHFFFAOYSA-N 0 0 217.272 2.147 50 0 BEAARN FC(F)(F)c1cccnc1O[C@@H]1CCOC1 ZINC000585654971 973926126 /nfs/dbraw/zinc/92/61/26/973926126.db2.gz OYYVPDOOTFLQOG-SSDOTTSWSA-N 0 0 233.189 2.268 50 0 BEAARN C[C@H]1CN(C(=O)Nc2ccc(F)cn2)[C@H]1C ZINC000585086485 972123414 /nfs/dbraw/zinc/12/34/14/972123414.db2.gz NHKABYGOLKHDMH-YUMQZZPRSA-N 0 0 223.251 2.093 50 0 BEAARN COc1ccc2onc(N3CC(C)(OC)C3)c2c1 ZINC000585092904 972130228 /nfs/dbraw/zinc/13/02/28/972130228.db2.gz TUAOSIYYCJOPTD-UHFFFAOYSA-N 0 0 248.282 2.062 50 0 BEAARN OC[C@H]1Cc2ccccc2N1Cc1cscn1 ZINC000585094473 972136026 /nfs/dbraw/zinc/13/60/26/972136026.db2.gz LYRSLGSQJNZSOG-GFCCVEGCSA-N 0 0 246.335 2.067 50 0 BEAARN C=CC(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000585124730 972155383 /nfs/dbraw/zinc/15/53/83/972155383.db2.gz PKSJXLXKESJXLH-CYBMUJFWSA-N 0 0 247.294 2.146 50 0 BEAARN C=CC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000585124817 972156667 /nfs/dbraw/zinc/15/66/67/972156667.db2.gz UHKQMHKRTYMCGZ-DGCLKSJQSA-N 0 0 230.311 2.095 50 0 BEAARN CCCCCOCC(=O)NN1CCCC[C@H]1C ZINC000585127118 972161173 /nfs/dbraw/zinc/16/11/73/972161173.db2.gz QMEPNLBOGPGIDR-GFCCVEGCSA-N 0 0 242.363 2.099 50 0 BEAARN C[C@@H](c1nc(-c2ccncc2)no1)N1CC(C)C1 ZINC000585133749 972167449 /nfs/dbraw/zinc/16/74/49/972167449.db2.gz TWDUKNMGGWHAJT-JTQLQIEISA-N 0 0 244.298 2.144 50 0 BEAARN O=C(c1ccno1)N1CC[C@H](c2ccsc2)C1 ZINC000675008418 960431523 /nfs/dbraw/zinc/43/15/23/960431523.db2.gz XJJHIYNDFMXFFF-VIFPVBQESA-N 0 0 248.307 2.366 50 0 BEAARN Cc1cc(N)nc(S[C@H](C)C2CC2)n1 ZINC000585119107 961858235 /nfs/dbraw/zinc/85/82/35/961858235.db2.gz RCMVJHANIJZGJL-SSDOTTSWSA-N 0 0 209.318 2.088 50 0 BEAARN CNc1nc(-c2ccc(C)nc2)ncc1F ZINC000032561077 965506801 /nfs/dbraw/zinc/50/68/01/965506801.db2.gz WHBTUTDOUNJQHC-UHFFFAOYSA-N 0 0 218.235 2.028 50 0 BEAARN CC(C)Cn1cncc1CNC(=O)C1CC=CC1 ZINC000821502143 968492145 /nfs/dbraw/zinc/49/21/45/968492145.db2.gz NEHAYBLAHGLVQC-UHFFFAOYSA-N 0 0 247.342 2.122 50 0 BEAARN CC(C)Cc1cc(CNC(=O)c2cc[nH]c2)on1 ZINC000821483394 968493138 /nfs/dbraw/zinc/49/31/38/968493138.db2.gz SRXHEYOERUKNBH-UHFFFAOYSA-N 0 0 247.298 2.131 50 0 BEAARN CC(C)c1noc([C@@H](C)NC(=O)c2cc[nH]c2)n1 ZINC000822285022 968515015 /nfs/dbraw/zinc/51/50/15/968515015.db2.gz HSZPQSZMMIXPLP-MRVPVSSYSA-N 0 0 248.286 2.012 50 0 BEAARN CC[C@H](c1ncnn1-c1ccccc1F)N(C)C ZINC000822667817 968530924 /nfs/dbraw/zinc/53/09/24/968530924.db2.gz YQGFLRFIEPNCQE-LLVKDONJSA-N 0 0 248.305 2.419 50 0 BEAARN COC(C)(C)C(=O)N[C@@H](C)C1=CCCCC1 ZINC000824229795 968584060 /nfs/dbraw/zinc/58/40/60/968584060.db2.gz ZLIHKEHGWFRWBE-JTQLQIEISA-N 0 0 225.332 2.417 50 0 BEAARN COCc1nc(C2(c3ccccc3F)CC2)n[nH]1 ZINC000824485489 968607151 /nfs/dbraw/zinc/60/71/51/968607151.db2.gz RBMFAEDVLHFWAM-UHFFFAOYSA-N 0 0 247.273 2.170 50 0 BEAARN c1ccc2c(c1)nccc2O[C@H]1CCOC1 ZINC000585652310 973917210 /nfs/dbraw/zinc/91/72/10/973917210.db2.gz XCEZQLKMQUSJTM-JTQLQIEISA-N 0 0 215.252 2.403 50 0 BEAARN Cc1nc2ccccc2n1[C@H]1CC[C@@H]1O ZINC000585298978 973920411 /nfs/dbraw/zinc/92/04/11/973920411.db2.gz XNCQQVKPUUFWOW-RYUDHWBXSA-N 0 0 202.257 2.041 50 0 BEAARN Cc1csc(OC[C@@H]2CCCCO2)n1 ZINC000585652632 973920898 /nfs/dbraw/zinc/92/08/98/973920898.db2.gz QNIUVRQKFBOSHC-VIFPVBQESA-N 0 0 213.302 2.399 50 0 BEAARN Clc1cnc(O[C@@H]2CCSC2)nc1 ZINC000585650522 973922133 /nfs/dbraw/zinc/92/21/33/973922133.db2.gz AUQBUIVFGVNQOU-SSDOTTSWSA-N 0 0 216.693 2.014 50 0 BEAARN Clc1ccc(O[C@@H]2C[NH+]3CCC2CC3)nc1 ZINC000585655258 973928504 /nfs/dbraw/zinc/92/85/04/973928504.db2.gz ZFTPUGYFLJEYRC-LLVKDONJSA-N 0 0 238.718 2.208 50 0 BEAARN Cc1nc(C(=O)N[C@H]2C=CCCC2)cs1 ZINC000952861058 974053786 /nfs/dbraw/zinc/05/37/86/974053786.db2.gz XKIIMOKOLYFKRM-VIFPVBQESA-N 0 0 222.313 2.290 50 0 BEAARN C=CC(=O)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000952884387 974060971 /nfs/dbraw/zinc/06/09/71/974060971.db2.gz ACXRMVFAEWBYMM-CYBMUJFWSA-N 0 0 215.296 2.497 50 0 BEAARN OC[C@]1(c2cccc(F)c2)CC1(F)F ZINC000642885367 986582944 /nfs/dbraw/zinc/58/29/44/986582944.db2.gz FOJUWWACTUCSLE-VIFPVBQESA-N 0 0 202.175 2.095 50 0 BEAARN CO[C@@H](C)c1ccc(-c2nc(C)n(C)n2)cc1 ZINC001506399226 988773066 /nfs/dbraw/zinc/77/30/66/988773066.db2.gz LDQNNHDMYAICBO-VIFPVBQESA-N 0 0 231.299 2.498 50 0 BEAARN Fc1cnccc1NCCCC[C@@H]1CCCO1 ZINC001506398130 988776074 /nfs/dbraw/zinc/77/60/74/988776074.db2.gz HDVCXPROPOOQNE-LLVKDONJSA-N 0 0 238.306 2.404 50 0 BEAARN Cc1cc(C)n(C[C@H](C)N(C)Cc2ccon2)n1 ZINC001506415595 988777438 /nfs/dbraw/zinc/77/74/38/988777438.db2.gz PNOSVWPIJGJEIL-LBPRGKRZSA-N 0 0 248.330 2.008 50 0 BEAARN CC(C)Cn1cncc1CN1CCC(F)CC1 ZINC001506408461 988780415 /nfs/dbraw/zinc/78/04/15/988780415.db2.gz FDWXWTXIBBFJRH-UHFFFAOYSA-N 0 0 239.338 2.473 50 0 BEAARN CCc1c(C)nn(C)c1NC(=O)c1occc1C ZINC001506408740 988781392 /nfs/dbraw/zinc/78/13/92/988781392.db2.gz WMXKUVRMIDTAQM-UHFFFAOYSA-N 0 0 247.298 2.445 50 0 BEAARN CCCC[C@@H]1C=CCN1C(=O)c1ccc[nH]c1=O ZINC001506421322 988782227 /nfs/dbraw/zinc/78/22/27/988782227.db2.gz FHUSFAYDOYGJIT-LLVKDONJSA-N 0 0 246.310 2.358 50 0 BEAARN CO[C@H](C)c1ccc(-c2ccc(=O)n(C)n2)cc1 ZINC001506426345 988783185 /nfs/dbraw/zinc/78/31/85/988783185.db2.gz NXZFOGQRSZUMML-SNVBAGLBSA-N 0 0 244.294 2.155 50 0 BEAARN O=c1cncc(-c2cc(F)cc3cccnc32)[nH]1 ZINC001506424115 988786759 /nfs/dbraw/zinc/78/67/59/988786759.db2.gz ZANUXWBLHGZVBO-UHFFFAOYSA-N 0 0 241.225 2.124 50 0 BEAARN CCc1nn(C)c(NC(=O)C2CC=CC2)c1CC ZINC001529113772 990331680 /nfs/dbraw/zinc/33/16/80/990331680.db2.gz ILZPTQKJGVYUID-UHFFFAOYSA-N 0 0 247.342 2.450 50 0 BEAARN COc1nccnc1N(C)Cc1sccc1C ZINC001529192023 990338956 /nfs/dbraw/zinc/33/89/56/990338956.db2.gz NUYKMOPEOXIIPN-UHFFFAOYSA-N 0 0 249.339 2.492 50 0 BEAARN O=C(NC1CC1)c1cc(O)ccc1OCC1CC1 ZINC001529592553 990356090 /nfs/dbraw/zinc/35/60/90/990356090.db2.gz HFVWOMFLBOADFV-UHFFFAOYSA-N 0 0 247.294 2.073 50 0 BEAARN CC(C)Oc1ccc(N)cc1C(=O)N1CCCC1 ZINC000030769760 1170873224 /nfs/dbraw/zinc/87/32/24/1170873224.db2.gz BUCJEORVXVFMPA-UHFFFAOYSA-N 0 0 248.326 2.292 50 0 BEAARN CC1=C(I)C(=O)CCC1 ZINC000038417998 1171054116 /nfs/dbraw/zinc/05/41/16/1171054116.db2.gz CAWRYBQGALUJKS-UHFFFAOYSA-N 0 0 236.052 2.448 50 0 BEAARN Cc1cc(C)n(CC(=O)Nc2ccccc2C)n1 ZINC000016705307 177925212 /nfs/dbraw/zinc/92/52/12/177925212.db2.gz CETBKSPSHYRABM-UHFFFAOYSA-N 0 0 243.310 2.447 50 0 BEAARN Cc1cc(CNC(=O)CC2=CCCCC2)no1 ZINC000019744811 178010738 /nfs/dbraw/zinc/01/07/38/178010738.db2.gz JGPSOPRTFUFBOX-UHFFFAOYSA-N 0 0 234.299 2.490 50 0 BEAARN Cc1cc(CNC(=O)c2cccnc2)ccc1F ZINC000011008515 178016451 /nfs/dbraw/zinc/01/64/51/178016451.db2.gz YLQFBCMWFDLECM-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1cc(F)c(C(=O)Nc2cnccn2)cc1F ZINC000097145995 178074664 /nfs/dbraw/zinc/07/46/64/178074664.db2.gz WOHQHXXSRNOXMW-UHFFFAOYSA-N 0 0 249.220 2.316 50 0 BEAARN Cc1cc(COC(=O)c2cccc(O)c2)no1 ZINC000007746802 178046796 /nfs/dbraw/zinc/04/67/96/178046796.db2.gz NKNPOQZCYLCPBE-UHFFFAOYSA-N 0 0 233.223 2.046 50 0 BEAARN Cc1cc(CSc2nncn2C(C)C)on1 ZINC000040010046 178053578 /nfs/dbraw/zinc/05/35/78/178053578.db2.gz CSWOJSOGUVYGLR-UHFFFAOYSA-N 0 0 238.316 2.448 50 0 BEAARN Cc1cc(Cl)c(Cl)cc1C(N)=O ZINC000263623703 178060836 /nfs/dbraw/zinc/06/08/36/178060836.db2.gz JWWSTLKMRNEKOF-UHFFFAOYSA-N 0 0 204.056 2.401 50 0 BEAARN Cc1c(Cl)cccc1Nc1nccc(=O)[nH]1 ZINC000000935702 398185860 /nfs/dbraw/zinc/18/58/60/398185860.db2.gz OXLQKYACAMBCSN-UHFFFAOYSA-N 0 0 235.674 2.475 50 0 BEAARN Cc1cc(F)ccc1COC(=O)c1cnn(C)c1 ZINC000096010442 178086568 /nfs/dbraw/zinc/08/65/68/178086568.db2.gz DHNKJTYLYLXMAL-UHFFFAOYSA-N 0 0 248.257 2.225 50 0 BEAARN Cc1cc(N)c(O)c(-n2nc3ccccc3n2)c1 ZINC000000092687 178104347 /nfs/dbraw/zinc/10/43/47/178104347.db2.gz WZIPHCOCDNRROA-UHFFFAOYSA-N 0 0 240.266 2.017 50 0 BEAARN Cc1cc(N2CCCC2)c(C=O)cc1C=O ZINC000008701909 178112032 /nfs/dbraw/zinc/11/20/32/178112032.db2.gz DBDHZMFJCLYUMV-UHFFFAOYSA-N 0 0 217.268 2.220 50 0 BEAARN COc1ccc(C2N3CC(C)(C)CN23)cc1OC ZINC000019171108 538924796 /nfs/dbraw/zinc/92/47/96/538924796.db2.gz ZLFABPQNHYHMDF-UHFFFAOYSA-N 0 0 248.326 2.275 50 0 BEAARN Cc1cc(NC(=O)CCc2ccccc2)n(C)n1 ZINC000027934041 178128605 /nfs/dbraw/zinc/12/86/05/178128605.db2.gz PGYDUCKICWGSDT-UHFFFAOYSA-N 0 0 243.310 2.300 50 0 BEAARN CC(C)CSCCNc1ccn(C)n1 ZINC000097237703 187327078 /nfs/dbraw/zinc/32/70/78/187327078.db2.gz BCWRFCVTCJSLDB-UHFFFAOYSA-N 0 0 213.350 2.221 50 0 BEAARN CCC(CC)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000002774381 168340945 /nfs/dbraw/zinc/34/09/45/168340945.db2.gz YDPIJUALBUJUOA-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN Cc1cc(NC(=O)Cc2cccc(F)c2)n(C)n1 ZINC000040030705 178134893 /nfs/dbraw/zinc/13/48/93/178134893.db2.gz BLVHWPRVUJOPKP-UHFFFAOYSA-N 0 0 247.273 2.049 50 0 BEAARN Cc1cc(NC(=O)N(C)C)nn1-c1ccccc1 ZINC000000075631 178135628 /nfs/dbraw/zinc/13/56/28/178135628.db2.gz RCQXZXNTECZODQ-UHFFFAOYSA-N 0 0 244.298 2.274 50 0 BEAARN COc1c(Cl)cc(C(F)(F)F)c[n+]1[O-] ZINC000261494806 398208197 /nfs/dbraw/zinc/20/81/97/398208197.db2.gz IBOLRGYAAUCAFU-UHFFFAOYSA-N 0 0 227.569 2.001 50 0 BEAARN Cc1cc(NC(=O)Nc2ccccc2)n(C)n1 ZINC000035606179 178142473 /nfs/dbraw/zinc/14/24/73/178142473.db2.gz BDENCSROZBVAQQ-UHFFFAOYSA-N 0 0 230.271 2.373 50 0 BEAARN Cc1cc(NC(=O)c2cc(C)oc2C)n(C)n1 ZINC000000148104 178148911 /nfs/dbraw/zinc/14/89/11/178148911.db2.gz QFMJZFZCSVSVOL-UHFFFAOYSA-N 0 0 233.271 2.191 50 0 BEAARN Cc1cc(NC(=O)c2cccc(F)c2)no1 ZINC000000318344 178149818 /nfs/dbraw/zinc/14/98/18/178149818.db2.gz IIUIMYMUBSVXQL-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N ZINC000003159934 178150707 /nfs/dbraw/zinc/15/07/07/178150707.db2.gz AYSLWAMPAPAUOQ-UHFFFAOYSA-N 0 0 241.294 2.412 50 0 BEAARN Cc1cc(NC(=O)c2ccccc2F)n(C)n1 ZINC000037489318 178151483 /nfs/dbraw/zinc/15/14/83/178151483.db2.gz DIGSYXJVNORJBN-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cc1cscc1C(=O)Nc1cc(C)nc(=O)[nH]1 ZINC000097082725 178151492 /nfs/dbraw/zinc/15/14/92/178151492.db2.gz KANVGPMDAJBJLV-UHFFFAOYSA-N 0 0 249.295 2.113 50 0 BEAARN Cc1cc(NC(=O)c2ccsc2)n(C)n1 ZINC000040481255 178151783 /nfs/dbraw/zinc/15/17/83/178151783.db2.gz OIMBIUNWNCCZGB-UHFFFAOYSA-N 0 0 221.285 2.042 50 0 BEAARN Cc1cc(NC(=O)c2sccc2C)n(C)n1 ZINC000027934155 178152562 /nfs/dbraw/zinc/15/25/62/178152562.db2.gz OHVIWPVFPFRAGI-UHFFFAOYSA-N 0 0 235.312 2.351 50 0 BEAARN CC(C)n1nccc1I ZINC000074937920 398209964 /nfs/dbraw/zinc/20/99/64/398209964.db2.gz ZIGKBLQYJMQQQE-UHFFFAOYSA-N 0 0 236.056 2.069 50 0 BEAARN Cc1cc(NCc2cccc3c[nH]nc32)no1 ZINC000097045244 178172845 /nfs/dbraw/zinc/17/28/45/178172845.db2.gz AZLUXXNFXKHQEQ-UHFFFAOYSA-N 0 0 228.255 2.471 50 0 BEAARN Cc1cc(NCc2ncc[nH]2)ccc1F ZINC000061116645 178175978 /nfs/dbraw/zinc/17/59/78/178175978.db2.gz VMADWICXBYMXSE-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN Cc1cc(NCc2nccn2C)ccc1F ZINC000061097078 178176920 /nfs/dbraw/zinc/17/69/20/178176920.db2.gz QPRUSXIPFVZMSA-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN Cc1cc(Nc2ccc(F)cc2)n2ncnc2n1 ZINC000009356826 178192029 /nfs/dbraw/zinc/19/20/29/178192029.db2.gz OLVVNGWNXBLVMA-UHFFFAOYSA-N 0 0 243.245 2.315 50 0 BEAARN Cc1cc(O)c(Br)cc1N ZINC000078549645 178193798 /nfs/dbraw/zinc/19/37/98/178193798.db2.gz SUNUYNWRSKSEDB-UHFFFAOYSA-N 0 0 202.051 2.045 50 0 BEAARN Cc1cc(=O)n2nc(-c3ccccc3)cc2[nH]1 ZINC000008666392 178201192 /nfs/dbraw/zinc/20/11/92/178201192.db2.gz QUMKJDPMSLSPOM-UHFFFAOYSA-N 0 0 225.251 2.410 50 0 BEAARN Cc1cc(OCC(=O)N(C)C)cc(C)c1Cl ZINC000000318855 178208074 /nfs/dbraw/zinc/20/80/74/178208074.db2.gz YSVBCFPIKHETEQ-UHFFFAOYSA-N 0 0 241.718 2.424 50 0 BEAARN Cc1cc(OCC(=O)N2CCC2)ccc1Cl ZINC000012926123 178208567 /nfs/dbraw/zinc/20/85/67/178208567.db2.gz ARAUNNSZJFPQDB-UHFFFAOYSA-N 0 0 239.702 2.260 50 0 BEAARN Cc1cc(Sc2n[nH]c(C3CC3)n2)nnc1C ZINC000097163748 178220100 /nfs/dbraw/zinc/22/01/00/178220100.db2.gz NSQVRNFHXFOXLX-UHFFFAOYSA-N 0 0 247.327 2.240 50 0 BEAARN CCC(CC)CNC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000071856721 168356418 /nfs/dbraw/zinc/35/64/18/168356418.db2.gz VGILEWGNNCLVKU-QWRGUYRKSA-N 0 0 242.363 2.241 50 0 BEAARN CCC(CC)CNC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000071856720 168356569 /nfs/dbraw/zinc/35/65/69/168356569.db2.gz VGILEWGNNCLVKU-GHMZBOCLSA-N 0 0 242.363 2.241 50 0 BEAARN Cc1cn2c(n1)CC[C@@H](Nc1ncccc1F)C2 ZINC000097104595 398231494 /nfs/dbraw/zinc/23/14/94/398231494.db2.gz CYRYNFBOXZGYGU-SNVBAGLBSA-N 0 0 246.289 2.153 50 0 BEAARN Cc1cc([C@H]2CCCN(C(=O)C(C)C)C2)[nH]n1 ZINC000225420048 178264800 /nfs/dbraw/zinc/26/48/00/178264800.db2.gz YPEYQBKNDWZYQH-NSHDSACASA-N 0 0 235.331 2.080 50 0 BEAARN CC1(C)CC[C@H](COC(=O)c2ccco2)O1 ZINC000170611847 361805241 /nfs/dbraw/zinc/80/52/41/361805241.db2.gz SAICJHWGCVSPDP-SECBINFHSA-N 0 0 224.256 2.394 50 0 BEAARN Cc1cc2ccccc2n1CC(=O)NC(C)C ZINC000017301224 178297853 /nfs/dbraw/zinc/29/78/53/178297853.db2.gz FADQJLJKPMKBKG-UHFFFAOYSA-N 0 0 230.311 2.474 50 0 BEAARN Cc1cc2nc(C(F)(F)F)cc(C)n2n1 ZINC000000124712 178299722 /nfs/dbraw/zinc/29/97/22/178299722.db2.gz HFNAOKCHYOMCIO-UHFFFAOYSA-N 0 0 215.178 2.365 50 0 BEAARN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2 ZINC000002537086 178299757 /nfs/dbraw/zinc/29/97/57/178299757.db2.gz TXOWANFTXFFOJK-LURJTMIESA-N 0 0 205.183 2.111 50 0 BEAARN Cc1cc2ncn(CCC(N)=S)c2cc1C ZINC000011737079 178305565 /nfs/dbraw/zinc/30/55/65/178305565.db2.gz WSUXYRZPTWFQOK-UHFFFAOYSA-N 0 0 233.340 2.329 50 0 BEAARN Cc1cc2cc(C(=O)N[C@@H]3CCOC3)ccc2o1 ZINC000020210661 178294179 /nfs/dbraw/zinc/29/41/79/178294179.db2.gz CZMCMEAODBEALA-GFCCVEGCSA-N 0 0 245.278 2.260 50 0 BEAARN Cc1cc2occ(CC(N)=O)c2cc1Cl ZINC000004840427 178307472 /nfs/dbraw/zinc/30/74/72/178307472.db2.gz DJJRJQKRSSUZIN-UHFFFAOYSA-N 0 0 223.659 2.422 50 0 BEAARN Cc1ccc(-c2cc(CCO)on2)cc1 ZINC000083187218 178319935 /nfs/dbraw/zinc/31/99/35/178319935.db2.gz QTSPVDJDIGIJGX-UHFFFAOYSA-N 0 0 203.241 2.185 50 0 BEAARN Cc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1O ZINC000087810075 178335441 /nfs/dbraw/zinc/33/54/41/178335441.db2.gz XQOCBBFEEOHPOY-SNVBAGLBSA-N 0 0 246.266 2.255 50 0 BEAARN O=C(NC[C@H]1CC12CC2)[C@@H]1CCC(F)(F)C1 ZINC000335255037 343995877 /nfs/dbraw/zinc/99/58/77/343995877.db2.gz GAUXLGZOKNXSCI-RKDXNWHRSA-N 0 0 229.270 2.338 50 0 BEAARN Cc1ccc(-c2noc([C@H](C)OC(C)C)n2)nn1 ZINC000091932233 178343601 /nfs/dbraw/zinc/34/36/01/178343601.db2.gz UEDZOVKZNGOWTJ-VIFPVBQESA-N 0 0 248.286 2.321 50 0 BEAARN Cc1ccc(-c2noc([C@@H](C)N)n2)cc1F ZINC000021808524 178343687 /nfs/dbraw/zinc/34/36/87/178343687.db2.gz LHEXBYBMDYIUJD-SSDOTTSWSA-N 0 0 221.235 2.204 50 0 BEAARN Cc1ccc(-c2n[nH]c(=S)n2C)cc1 ZINC000000124601 178332100 /nfs/dbraw/zinc/33/21/00/178332100.db2.gz MYBRNSIBHZNBGY-UHFFFAOYSA-N 0 0 205.286 2.453 50 0 BEAARN Cc1ccc(/C=C2\SC(=N)NC2=O)s1 ZINC000004660113 178356138 /nfs/dbraw/zinc/35/61/38/178356138.db2.gz QSCATTCVNHITGW-DAXSKMNVSA-N 0 0 224.310 2.195 50 0 aggregator BEAARN Cc1ccc(/C=C2\C(=O)N(C)C(=S)N2C)cc1 ZINC000000367351 178356258 /nfs/dbraw/zinc/35/62/58/178356258.db2.gz QKBSZOSHZUKTPV-DHZHZOJOSA-N 0 0 246.335 2.025 50 0 BEAARN Cc1ccc(Br)cc1C(N)=S ZINC000083256243 178362331 /nfs/dbraw/zinc/36/23/31/178362331.db2.gz KQCQDFMBZOTCNT-UHFFFAOYSA-N 0 0 230.130 2.392 50 0 BEAARN Cc1cc(C)c(C)c2[nH]c(C(N)=O)cc21 ZINC000032901375 538951310 /nfs/dbraw/zinc/95/13/10/538951310.db2.gz WOTWYMNWRLBYIZ-UHFFFAOYSA-N 0 0 202.257 2.192 50 0 BEAARN O=C(NCc1ccc[nH]1)[C@H]1CCC[C@H](F)C1 ZINC000335084531 136232720 /nfs/dbraw/zinc/23/27/20/136232720.db2.gz MPAGHMXXWDMZQZ-UWVGGRQHSA-N 0 0 224.279 2.159 50 0 BEAARN Cc1ccc(C(=O)N2CCC(C)CC2)o1 ZINC000016605552 178383493 /nfs/dbraw/zinc/38/34/93/178383493.db2.gz MSUIOMOIKFKSLU-UHFFFAOYSA-N 0 0 207.273 2.460 50 0 BEAARN Cc1ccc(C(=O)N2CCCCC2)cn1 ZINC000032895398 178384933 /nfs/dbraw/zinc/38/49/33/178384933.db2.gz CVFCLEJZVTYCIM-UHFFFAOYSA-N 0 0 204.273 2.016 50 0 BEAARN Cc1ccc(C(=O)NCc2cccs2)n1C ZINC000023239021 178417253 /nfs/dbraw/zinc/41/72/53/178417253.db2.gz JLMGKSNQHVMPEM-UHFFFAOYSA-N 0 0 234.324 2.325 50 0 BEAARN CC(=O)CC(=O)Nc1cccc(Cl)c1 ZINC000000081477 342673229 /nfs/dbraw/zinc/67/32/29/342673229.db2.gz MTPKMGABYQNMMG-UHFFFAOYSA-N 0 0 211.648 2.258 50 0 BEAARN CCc1cc(=O)oc2cc(OCC(C)=O)ccc12 ZINC000000082543 342673509 /nfs/dbraw/zinc/67/35/09/342673509.db2.gz APFOUMJDLIKXAW-UHFFFAOYSA-N 0 0 246.262 2.323 50 0 BEAARN O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000096627 342674160 /nfs/dbraw/zinc/67/41/60/342674160.db2.gz PJBXBDSTURWRBO-UHFFFAOYSA-N 0 0 242.061 2.423 50 0 BEAARN Cc1ccc(NC(=S)NN(C)C)cc1C ZINC000000098282 342674356 /nfs/dbraw/zinc/67/43/56/342674356.db2.gz BGMHILYGMVEYSR-UHFFFAOYSA-N 0 0 223.345 2.066 50 0 BEAARN O=C(COc1ccc(F)cc1)NCc1ccco1 ZINC000000101716 342674423 /nfs/dbraw/zinc/67/44/23/342674423.db2.gz IVILVGVRYUWJDC-UHFFFAOYSA-N 0 0 249.241 2.114 50 0 BEAARN Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000000123120 342675785 /nfs/dbraw/zinc/67/57/85/342675785.db2.gz YJHJTROQFRJDDB-UHFFFAOYSA-N 0 0 228.230 2.142 50 0 BEAARN CC(C)(C)NCC(=O)OCc1ccccc1 ZINC000000159897 342678272 /nfs/dbraw/zinc/67/82/72/342678272.db2.gz WGJVYWVEWCTCHX-UHFFFAOYSA-N 0 0 221.300 2.118 50 0 BEAARN CSc1nn(-c2ccccc2)cc1C(N)=S ZINC000000161481 342678342 /nfs/dbraw/zinc/67/83/42/342678342.db2.gz BRULMRGZQNDVKY-UHFFFAOYSA-N 0 0 249.364 2.228 50 0 BEAARN Cc1cc(-c2ccccc2)c2nncn2n1 ZINC000000227734 342680587 /nfs/dbraw/zinc/68/05/87/342680587.db2.gz RSHWUNBLFADYEU-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN Nc1cccc(C(=O)Nc2ccccc2N)c1 ZINC000000225942 342680694 /nfs/dbraw/zinc/68/06/94/342680694.db2.gz IOOHYVXEUUDPHM-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN CCS(=O)(=O)Nc1ccc(Cl)cc1 ZINC000000245254 342681147 /nfs/dbraw/zinc/68/11/47/342681147.db2.gz YCVLNLXLOPCQCX-UHFFFAOYSA-N 0 0 219.693 2.102 50 0 BEAARN Nc1cc(N)cc(-c2nc3ccccc3[nH]2)c1 ZINC000000244916 342681181 /nfs/dbraw/zinc/68/11/81/342681181.db2.gz OWACAQHQSRMSEQ-UHFFFAOYSA-N 0 0 224.267 2.394 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc2nc(N)sc2c1 ZINC000000241735 342681201 /nfs/dbraw/zinc/68/12/01/342681201.db2.gz XJTPKTRRDCCDIU-SSDOTTSWSA-N 0 0 249.339 2.407 50 0 BEAARN CCCC(=O)NCCc1ccc(F)cc1 ZINC000000258585 342681284 /nfs/dbraw/zinc/68/12/84/342681284.db2.gz NRYBMTRFUSRDAC-UHFFFAOYSA-N 0 0 209.264 2.285 50 0 biogenic BEAARN O=C(c1ccc2c(c1)OCCO2)C1CC1 ZINC000000255988 342681287 /nfs/dbraw/zinc/68/12/87/342681287.db2.gz MNCHTHBKZOMDQI-UHFFFAOYSA-N 0 0 204.225 2.051 50 0 BEAARN CCOc1ccc2c(c1)SCC(=O)N2 ZINC000000247793 342681420 /nfs/dbraw/zinc/68/14/20/342681420.db2.gz UYUUNYNVHRTORT-UHFFFAOYSA-N 0 0 209.270 2.130 50 0 BEAARN CC(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000000249677 342681474 /nfs/dbraw/zinc/68/14/74/342681474.db2.gz SXDWGUHFZHQPND-UHFFFAOYSA-N 0 0 213.306 2.085 50 0 BEAARN CC(C)CNC(=O)c1ccc(Br)o1 ZINC000000284157 342682046 /nfs/dbraw/zinc/68/20/46/342682046.db2.gz IVIOHBAXQLCSFX-UHFFFAOYSA-N 0 0 246.104 2.428 50 0 BEAARN CCc1nc(=NN)c2c3c(sc2[nH]1)CCC3 ZINC000000289840 342682404 /nfs/dbraw/zinc/68/24/04/342682404.db2.gz KNFQWNINTLAUSD-UHFFFAOYSA-N 0 0 234.328 2.028 50 0 BEAARN O=C(Oc1cccnc1)c1cccc(F)c1 ZINC000000317206 342683101 /nfs/dbraw/zinc/68/31/01/342683101.db2.gz WEXVVFNBWDXJIB-UHFFFAOYSA-N 0 0 217.199 2.440 50 0 BEAARN CCOC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000000332667 342683657 /nfs/dbraw/zinc/68/36/57/342683657.db2.gz LNIFCHLLDTWCIH-NWDGAFQWSA-N 0 0 220.268 2.362 50 0 BEAARN CCN(C(=S)NC(=O)C1CC1)c1ccccc1 ZINC000000359037 342684613 /nfs/dbraw/zinc/68/46/13/342684613.db2.gz ARGJNWXUBJTAQO-UHFFFAOYSA-N 0 0 248.351 2.324 50 0 BEAARN O=C(CN1CCCCC1)Nc1ccccc1 ZINC000000362354 342684855 /nfs/dbraw/zinc/68/48/55/342684855.db2.gz WFECYQKJNWJCBA-UHFFFAOYSA-N 0 0 218.300 2.111 50 0 BEAARN CC(C)(C)NC(=S)Nc1ccccn1 ZINC000000385699 342685631 /nfs/dbraw/zinc/68/56/31/342685631.db2.gz RKTBIWVPWYSMTK-UHFFFAOYSA-N 0 0 209.318 2.167 50 0 BEAARN CO[C@@H]1CCCC[C@@H]1NC(=O)SC ZINC000000389947 342685787 /nfs/dbraw/zinc/68/57/87/342685787.db2.gz IOTMQUJRLGPJRI-JGVFFNPUSA-N 0 0 203.307 2.017 50 0 BEAARN Cc1ccc(NC(=O)NO)cc1Cl ZINC000000398532 342686455 /nfs/dbraw/zinc/68/64/55/342686455.db2.gz MALCQLIRGLSWGK-UHFFFAOYSA-N 0 0 200.625 2.159 50 0 BEAARN Clc1ccc(I)cn1 ZINC000000403308 342686684 /nfs/dbraw/zinc/68/66/84/342686684.db2.gz QWLGCWXSNYKKDO-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN O=C(c1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000000406264 342686976 /nfs/dbraw/zinc/68/69/76/342686976.db2.gz HUBCTWDCEBWLBF-UHFFFAOYSA-N 0 0 238.246 2.087 50 0 BEAARN CCOc1ccc(NC(=O)c2cnccn2)cc1 ZINC000000418316 342687232 /nfs/dbraw/zinc/68/72/32/342687232.db2.gz QLRHMFFHGZFFID-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN O=S(=O)(c1cccc(Cl)c1)N1CCCC1 ZINC000000466299 342687989 /nfs/dbraw/zinc/68/79/89/342687989.db2.gz ZNZXPUJFWPBWFF-UHFFFAOYSA-N 0 0 245.731 2.125 50 0 BEAARN CCCC(=O)Nc1ccccc1NC(C)=O ZINC000000458332 342688134 /nfs/dbraw/zinc/68/81/34/342688134.db2.gz NNWMEMJRKLTRJU-UHFFFAOYSA-N 0 0 220.272 2.384 50 0 BEAARN Cc1ccc(C)n1NC(=O)c1ccc(O)cc1 ZINC000000472371 342688215 /nfs/dbraw/zinc/68/82/15/342688215.db2.gz ITIABCNIUVFWHH-UHFFFAOYSA-N 0 0 230.267 2.194 50 0 BEAARN Cc1ccc(CNC(=O)c2ccncc2)cc1 ZINC000000473691 342688239 /nfs/dbraw/zinc/68/82/39/342688239.db2.gz SGDTYNBNLNOSBZ-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN NN1C(=O)c2ccccc2N[C@H]1[C@@H]1CC=CCC1 ZINC000000473041 342688345 /nfs/dbraw/zinc/68/83/45/342688345.db2.gz SYVYDPXKOTYUHC-ZWNOBZJWSA-N 0 0 243.310 2.110 50 0 BEAARN CCOc1ccc(NC(=O)c2ccn(C)n2)cc1 ZINC000000483405 342688510 /nfs/dbraw/zinc/68/85/10/342688510.db2.gz ZVZMHVMNXYUGSW-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN Cc1c(C(=O)N(C)C)c2ccc(F)cc2n1O ZINC000000480552 342688598 /nfs/dbraw/zinc/68/85/98/342688598.db2.gz FZUQKEFIJPKMIF-UHFFFAOYSA-N 0 0 236.246 2.028 50 0 BEAARN O=C(OCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000000000078 342669461 /nfs/dbraw/zinc/66/94/61/342669461.db2.gz JFKWZVQEMSKSBU-AWEZNQCLSA-N 0 0 242.274 2.463 50 0 in-vitro BEAARN O=C(c1ccc2nccnc2c1)N1CCCCC1 ZINC000000006489 342669726 /nfs/dbraw/zinc/66/97/26/342669726.db2.gz ANDGGVOPIJEHOF-UHFFFAOYSA-N 0 0 241.294 2.256 50 0 investigational BEAARN Cc1ccc(OCc2nnc(N)s2)cc1C ZINC000000052517 342671497 /nfs/dbraw/zinc/67/14/97/342671497.db2.gz FUGZFUYAEFQGEK-UHFFFAOYSA-N 0 0 235.312 2.316 50 0 BEAARN CCSc1nsc(SCC)c1C(N)=O ZINC000000051633 342671516 /nfs/dbraw/zinc/67/15/16/342671516.db2.gz MUIPJZCBEKHOFL-UHFFFAOYSA-N 0 0 248.398 2.466 50 0 BEAARN CC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000000060672 342672165 /nfs/dbraw/zinc/67/21/65/342672165.db2.gz ZPZOHCFZAZHHAQ-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN S=c1[nH]cnc2c1cnn2Cc1ccccc1 ZINC000000065284 342672450 /nfs/dbraw/zinc/67/24/50/342672450.db2.gz SLCUJURZNGAVEX-UHFFFAOYSA-N 0 0 242.307 2.163 50 0 BEAARN CCc1cccc(CC)c1Nc1ncnc(N)n1 ZINC000000073739 342672728 /nfs/dbraw/zinc/67/27/28/342672728.db2.gz UXZJVCHQOULLDR-UHFFFAOYSA-N 0 0 243.314 2.322 50 0 BEAARN CCCCOc1ccc(-n2nc(C)cc2C)nn1 ZINC000002290532 342718235 /nfs/dbraw/zinc/71/82/35/342718235.db2.gz GBBXLVBXGQMSMF-UHFFFAOYSA-N 0 0 246.314 2.458 50 0 BEAARN CCN(CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000577382 342690691 /nfs/dbraw/zinc/69/06/91/342690691.db2.gz XFDZISYGOCDTJL-UHFFFAOYSA-N 0 0 247.747 2.371 50 0 BEAARN CCOc1cc(C(N)=O)cc(Cl)c1OCC ZINC000000615163 342690947 /nfs/dbraw/zinc/69/09/47/342690947.db2.gz PPRZEZUNIIQRJP-UHFFFAOYSA-N 0 0 243.690 2.236 50 0 BEAARN O=C([O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000000814066 342693079 /nfs/dbraw/zinc/69/30/79/342693079.db2.gz RNCCMTVMMFUIKR-UHFFFAOYSA-N 0 0 219.284 2.371 50 0 BEAARN COC(=O)Nc1sc(C)cc1C(=O)OC ZINC000001056658 342696530 /nfs/dbraw/zinc/69/65/30/342696530.db2.gz VQULPIUOSXLVQS-UHFFFAOYSA-N 0 0 229.257 2.021 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N(C)[C@@H](C)C1CC1 ZINC000040521134 259316740 /nfs/dbraw/zinc/31/67/40/259316740.db2.gz SJLRTCYHDDMQPZ-QWRGUYRKSA-N 0 0 227.348 2.304 50 0 BEAARN CCOc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000001456898 342701386 /nfs/dbraw/zinc/70/13/86/342701386.db2.gz KXMJDJCQVDISGH-GFCCVEGCSA-N 0 0 235.283 2.203 50 0 BEAARN C[NH+](C)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000001681949 342708767 /nfs/dbraw/zinc/70/87/67/342708767.db2.gz MNNZTQAXBCVWKK-VIFPVBQESA-N 0 0 213.664 2.027 50 0 BEAARN CCCC[C@H](CC)COC(=O)[C@H](C)O ZINC000001688341 342709293 /nfs/dbraw/zinc/70/92/93/342709293.db2.gz FECDACOUYKFOOP-UWVGGRQHSA-N 0 0 202.294 2.127 50 0 BEAARN CCCC[C@H](CC)COC(=O)[C@@H](C)O ZINC000001688339 342709344 /nfs/dbraw/zinc/70/93/44/342709344.db2.gz FECDACOUYKFOOP-ZJUUUORDSA-N 0 0 202.294 2.127 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000002385853 342719473 /nfs/dbraw/zinc/71/94/73/342719473.db2.gz TYJLKWUTGBOOBY-MRVPVSSYSA-N 0 0 248.109 2.338 50 0 BEAARN O=C(OCC(F)(F)F)C(Cl)(Cl)Cl ZINC000001717162 342710911 /nfs/dbraw/zinc/71/09/11/342710911.db2.gz PBNSIWIXDXFYGL-UHFFFAOYSA-N 0 0 245.411 2.462 50 0 BEAARN CCN(C(=O)CC(C)=O)c1ccccc1 ZINC000001727690 342711286 /nfs/dbraw/zinc/71/12/86/342711286.db2.gz BTLQCAVMXJEADD-UHFFFAOYSA-N 0 0 205.257 2.019 50 0 BEAARN Cc1cc(Cl)cc(Cl)c1OCC(N)=O ZINC000001732112 342711605 /nfs/dbraw/zinc/71/16/05/342711605.db2.gz CQMQNBWKQHNWPP-UHFFFAOYSA-N 0 0 234.082 2.166 50 0 BEAARN CCOc1cc([C@@H]2OC[C@H](C)O2)ccc1O ZINC000002384653 342719641 /nfs/dbraw/zinc/71/96/41/342719641.db2.gz IFUIILQWHYHIEK-QPUJVOFHSA-N 0 0 224.256 2.225 50 0 endogenous,in-man BEAARN COC(=O)[C@H](Cc1ccccc1)N[C@@H](C)C(C)C ZINC000002027716 342714696 /nfs/dbraw/zinc/71/46/96/342714696.db2.gz WREZKYXHHHBGNI-JSGCOSHPSA-N 0 0 249.354 2.405 50 0 BEAARN CCOc1ccc(NCCCCO)cc1 ZINC000002132394 342715960 /nfs/dbraw/zinc/71/59/60/342715960.db2.gz XIJLICADXUMRDT-UHFFFAOYSA-N 0 0 209.289 2.270 50 0 BEAARN CN(C)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000002144274 342716132 /nfs/dbraw/zinc/71/61/32/342716132.db2.gz NDKSWWUQHXZADC-UHFFFAOYSA-N 0 0 217.190 2.498 50 0 BEAARN Cc1ccc(N)cc1I ZINC000002169040 342716563 /nfs/dbraw/zinc/71/65/63/342716563.db2.gz RRUDMHNAMZFNEK-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000004014645 342740804 /nfs/dbraw/zinc/74/08/04/342740804.db2.gz ABDRZHVLIRZFQO-MRVPVSSYSA-N 0 0 233.189 2.180 50 0 BEAARN CO[C@@H]1OC(=O)C(Cl)=C1Nc1ccccc1 ZINC000004117277 342742874 /nfs/dbraw/zinc/74/28/74/342742874.db2.gz FEKYGWUWWLUPQK-LLVKDONJSA-N 0 0 239.658 2.078 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(F)c(C)c2)on1 ZINC000010552090 342743807 /nfs/dbraw/zinc/74/38/07/342743807.db2.gz MYBNYVAYWYZYEB-UHFFFAOYSA-N 0 0 248.257 2.361 50 0 BEAARN CCC(CC)NC(=O)[C@@H]1CNc2ccccc2O1 ZINC000019423278 168382580 /nfs/dbraw/zinc/38/25/80/168382580.db2.gz XSLBJRMZHBADGW-ZDUSSCGKSA-N 0 0 248.326 2.164 50 0 BEAARN O=C([O-])[C@@H]1C[C@@H](C/C=C/c2ccccc2)C[NH2+]1 ZINC000004241492 342745084 /nfs/dbraw/zinc/74/50/84/342745084.db2.gz QDAXBFHPUNCEDK-GPEUJJIWSA-N 0 0 231.295 2.153 50 0 BEAARN CN(C)Cc1cc(O)ccc1Br ZINC000004235233 342745228 /nfs/dbraw/zinc/74/52/28/342745228.db2.gz ZOJBOFJPDLZFEG-UHFFFAOYSA-N 0 0 230.105 2.216 50 0 BEAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000004666634 342750425 /nfs/dbraw/zinc/75/04/25/342750425.db2.gz ZFPRNEXAIAVPKN-GHMZBOCLSA-N 0 0 221.300 2.369 50 0 BEAARN CN(C)P(=NC(C)(C)C)(N(C)C)N(C)C ZINC000004521786 342748579 /nfs/dbraw/zinc/74/85/79/342748579.db2.gz YRNOSHBJMBLOSL-UHFFFAOYSA-N 0 0 234.328 2.416 50 0 BEAARN Clc1ccc(OCCOC[C@@H]2CO2)cc1 ZINC000002454845 342720682 /nfs/dbraw/zinc/72/06/82/342720682.db2.gz OJQIRZPGAUHQII-LLVKDONJSA-N 0 0 228.675 2.134 50 0 BEAARN Nc1nc(COc2ccccc2)cs1 ZINC000002455996 342720895 /nfs/dbraw/zinc/72/08/95/342720895.db2.gz OAQVZJWKWGNLRJ-UHFFFAOYSA-N 0 0 206.270 2.304 50 0 BEAARN NN=c1[nH]c2c(ccc3c2CCCC3)s1 ZINC000002455639 342721109 /nfs/dbraw/zinc/72/11/09/342721109.db2.gz JZFGOYKTQURYKV-UHFFFAOYSA-N 0 0 219.313 2.461 50 0 BEAARN CC(C)CNC(=O)c1cc(CC(C)C)on1 ZINC000002498099 342721566 /nfs/dbraw/zinc/72/15/66/342721566.db2.gz QUFAOUQQEPTFOJ-UHFFFAOYSA-N 0 0 224.304 2.259 50 0 BEAARN O=C(c1cccc(CN2CCC2)c1)C1CC1 ZINC000002515148 342722049 /nfs/dbraw/zinc/72/20/49/342722049.db2.gz HEHDAWGKVFXWRE-UHFFFAOYSA-N 0 0 215.296 2.485 50 0 BEAARN C=C(Br)C(=O)OC(C)(C)C ZINC000002541516 342723622 /nfs/dbraw/zinc/72/36/22/342723622.db2.gz GWIIOMWMVVSZJE-UHFFFAOYSA-N 0 0 207.067 2.237 50 0 BEAARN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000002541598 342723629 /nfs/dbraw/zinc/72/36/29/342723629.db2.gz MAONMXZZIKVZBB-ZJUUUORDSA-N 0 0 229.320 2.062 50 0 BEAARN CC(C)(C)OC(=O)NCCc1cccc(N)c1 ZINC000002547906 342723872 /nfs/dbraw/zinc/72/38/72/342723872.db2.gz LYUHXMSAHNAMFY-UHFFFAOYSA-N 0 0 236.315 2.336 50 0 BEAARN Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000002566561 342724622 /nfs/dbraw/zinc/72/46/22/342724622.db2.gz JJLMPFXNGNFLNI-UHFFFAOYSA-N 0 0 226.279 2.199 50 0 BEAARN FC(F)(F)CSc1nncs1 ZINC000074251127 344001996 /nfs/dbraw/zinc/00/19/96/344001996.db2.gz WVEOWJPJOZQEPX-UHFFFAOYSA-N 0 0 200.210 2.193 50 0 BEAARN CC(=O)OCC(=O)Sc1ccc(C)cc1 ZINC000002580766 342725471 /nfs/dbraw/zinc/72/54/71/342725471.db2.gz GQFFGLBZZMFEPQ-UHFFFAOYSA-N 0 0 224.281 2.177 50 0 BEAARN CC(C)(C)c1ccc([C@H]([NH3+])C(=O)[O-])cc1 ZINC000002582479 342725546 /nfs/dbraw/zinc/72/55/46/342725546.db2.gz HSRNMXQOQUQCSD-JTQLQIEISA-N 0 0 207.273 2.069 50 0 BEAARN CCCn1c(CNC(=O)CC)nc2ccccc21 ZINC000002721249 342726742 /nfs/dbraw/zinc/72/67/42/342726742.db2.gz IWVAWJXSDPGCAZ-UHFFFAOYSA-N 0 0 245.326 2.473 50 0 BEAARN O=C([O-])[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000002731896 342726802 /nfs/dbraw/zinc/72/68/02/342726802.db2.gz QBEDEVJXKRAWAC-NSHDSACASA-N 0 0 237.274 2.122 50 0 BEAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCO1 ZINC000002773677 342726971 /nfs/dbraw/zinc/72/69/71/342726971.db2.gz VWFLYEWALAAOCG-TZMCWYRMSA-N 0 0 247.338 2.303 50 0 BEAARN CC(=O)OC(C)(C)CCC(C)(C)OC(C)=O ZINC000003074834 342730063 /nfs/dbraw/zinc/73/00/63/342730063.db2.gz JLERQYVUVOLBLH-UHFFFAOYSA-N 0 0 230.304 2.450 50 0 BEAARN O=C(OCc1ccccc1)C(F)(F)F ZINC000003188811 342731407 /nfs/dbraw/zinc/73/14/07/342731407.db2.gz HDYQLGLEPPGPEV-UHFFFAOYSA-N 0 0 204.147 2.292 50 0 BEAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000003270843 342731784 /nfs/dbraw/zinc/73/17/84/342731784.db2.gz JKYLQCKSQSXCHN-CQSZACIVSA-N 0 0 246.310 2.039 50 0 BEAARN CC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000003269042 342731915 /nfs/dbraw/zinc/73/19/15/342731915.db2.gz VEHSZAAJWDVJMS-JTQLQIEISA-N 0 0 246.262 2.458 50 0 BEAARN CCOc1ccccc1/C=C1\SC(=N)NC1=O ZINC000004612004 342749775 /nfs/dbraw/zinc/74/97/75/342749775.db2.gz UTFSGLHWEXAKJJ-YFHOEESVSA-N 0 0 248.307 2.224 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000003430805 342733450 /nfs/dbraw/zinc/73/34/50/342733450.db2.gz LOYPWJZWUMOVRW-PELKAZGASA-N 0 0 232.283 2.240 50 0 BEAARN Cc1cnc(C(=O)N[C@H]2CCCC[C@H]2C)cn1 ZINC000003559870 342734463 /nfs/dbraw/zinc/73/44/63/342734463.db2.gz QPNVAPBAQNRRPC-KOLCDFICSA-N 0 0 233.315 2.094 50 0 BEAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000003754811 342737419 /nfs/dbraw/zinc/73/74/19/342737419.db2.gz WRCCKEVVICUODU-LBPRGKRZSA-N 0 0 237.274 2.265 50 0 BEAARN CCCCCCNc1ncnc2nc[nH]c21 ZINC000003871210 342738611 /nfs/dbraw/zinc/73/86/11/342738611.db2.gz SSVCRPKUKBLUMH-UHFFFAOYSA-N 0 0 219.292 2.345 50 0 BEAARN Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2 ZINC000004806336 342752419 /nfs/dbraw/zinc/75/24/19/342752419.db2.gz DCMDRNWAGHTMTR-UHFFFAOYSA-N 0 0 223.125 2.226 50 0 BEAARN O=C1c2ccccc2N(Cc2cccs2)C1=O ZINC000004842627 342753114 /nfs/dbraw/zinc/75/31/14/342753114.db2.gz QPHPMPRHESVMJK-UHFFFAOYSA-N 0 0 243.287 2.478 50 0 BEAARN C[C@H](Cc1nnc(N)s1)c1ccccc1 ZINC000004954626 342755010 /nfs/dbraw/zinc/75/50/10/342755010.db2.gz TZDRLIUGQBKIFY-MRVPVSSYSA-N 0 0 219.313 2.467 50 0 BEAARN Cc1cc(C=O)c(C)n1Cc1ccccn1 ZINC000004973753 342755276 /nfs/dbraw/zinc/75/52/76/342755276.db2.gz HKXZVKKNFBABIW-UHFFFAOYSA-N 0 0 214.268 2.361 50 0 BEAARN CC(C)CC(=O)NC(=S)N1CCCCCC1 ZINC000005013791 342756654 /nfs/dbraw/zinc/75/66/54/342756654.db2.gz JIVYHJYHEHECNX-UHFFFAOYSA-N 0 0 242.388 2.310 50 0 BEAARN Clc1cccc(CNc2nn[nH]n2)c1Cl ZINC000005019343 342756655 /nfs/dbraw/zinc/75/66/55/342756655.db2.gz QTYGOGDNFJVRFE-UHFFFAOYSA-N 0 0 244.085 2.119 50 0 BEAARN CC1(C)COC(=O)[C@H]1OCc1ccccc1 ZINC000005303317 342761675 /nfs/dbraw/zinc/76/16/75/342761675.db2.gz VHSFUNYRPRTDAA-LLVKDONJSA-N 0 0 220.268 2.155 50 0 BEAARN CC(C)CNC(=O)COc1cccc(Cl)c1 ZINC000005380521 342762808 /nfs/dbraw/zinc/76/28/08/342762808.db2.gz WKUDGUGIMLHTHI-UHFFFAOYSA-N 0 0 241.718 2.491 50 0 BEAARN CC(C)n1c2ccccc2nc1NCCO ZINC000005690118 342768408 /nfs/dbraw/zinc/76/84/08/342768408.db2.gz ALQHGOBGSFGCMS-UHFFFAOYSA-N 0 0 219.288 2.021 50 0 BEAARN Cc1ccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(F)c1 ZINC000222932405 178434818 /nfs/dbraw/zinc/43/48/18/178434818.db2.gz QGERBNAGBSIOQQ-WXHSDQCUSA-N 0 0 249.285 2.041 50 0 BEAARN CCOc1cc([C@@H]2OC[C@@H](C)O2)ccc1O ZINC000005863151 342770944 /nfs/dbraw/zinc/77/09/44/342770944.db2.gz IFUIILQWHYHIEK-PRHODGIISA-N 0 0 224.256 2.225 50 0 endogenous,in-man BEAARN NC(=S)c1ccccc1Br ZINC000006095154 342773562 /nfs/dbraw/zinc/77/35/62/342773562.db2.gz GHCQWSAFBXLYSO-UHFFFAOYSA-N 0 0 216.103 2.083 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000035323013 342774587 /nfs/dbraw/zinc/77/45/87/342774587.db2.gz ROUONLKDWVQKNB-RYUDHWBXSA-N 0 0 249.310 2.169 50 0 BEAARN CC(C)(C)OC(=O)NCc1ccccc1N ZINC000006238689 342775332 /nfs/dbraw/zinc/77/53/32/342775332.db2.gz ZTBNOFSSMFDTHM-UHFFFAOYSA-N 0 0 222.288 2.294 50 0 BEAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCO2)c1 ZINC000006255511 342775578 /nfs/dbraw/zinc/77/55/78/342775578.db2.gz MKUPZMXIFCDHMK-LBPRGKRZSA-N 0 0 219.284 2.421 50 0 BEAARN O=C(CCC1CCCCC1)Nc1nc[nH]n1 ZINC000006492268 342778610 /nfs/dbraw/zinc/77/86/10/342778610.db2.gz UZEDCSMOVBZQDH-UHFFFAOYSA-N 0 0 222.292 2.104 50 0 BEAARN Cn1cnnc1SCc1cccc(F)c1 ZINC000006320703 342776402 /nfs/dbraw/zinc/77/64/02/342776402.db2.gz YRZDIGKQWSAPRY-UHFFFAOYSA-N 0 0 223.276 2.247 50 0 BEAARN O=C1CCOc2ccc(Br)cc21 ZINC000006322598 342776521 /nfs/dbraw/zinc/77/65/21/342776521.db2.gz PFLPVOXSUCCZDH-UHFFFAOYSA-N 0 0 227.057 2.414 50 0 BEAARN Cc1occc1C(=O)N[C@@H](C)c1ccncc1 ZINC000004750101 342751510 /nfs/dbraw/zinc/75/15/10/342751510.db2.gz MZIPXVZUZDOHJT-VIFPVBQESA-N 0 0 230.267 2.474 50 0 BEAARN O=C(CC1CCCC1)NCc1ccccn1 ZINC000008723342 342803447 /nfs/dbraw/zinc/80/34/47/342803447.db2.gz AWHSWAVBDBMXFG-UHFFFAOYSA-N 0 0 218.300 2.278 50 0 BEAARN O=C([O-])[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000008699023 342802192 /nfs/dbraw/zinc/80/21/92/342802192.db2.gz PQBVXGNUOLWTCK-GFCCVEGCSA-N 0 0 237.274 2.437 50 0 BEAARN CCc1cc(=O)oc2cc(C)cc(O)c12 ZINC000006519560 342778796 /nfs/dbraw/zinc/77/87/96/342778796.db2.gz BGKWMMAJZNSSGJ-UHFFFAOYSA-N 0 0 204.225 2.369 50 0 aggregator BEAARN CC(C)(C)OC(=O)NCc1cccc(O)c1 ZINC000006666992 342780709 /nfs/dbraw/zinc/78/07/09/342780709.db2.gz JEQIMDDMLRIZKL-UHFFFAOYSA-N 0 0 223.272 2.417 50 0 BEAARN CC(=O)N[C@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000006704276 342781067 /nfs/dbraw/zinc/78/10/67/342781067.db2.gz MCUACTDXSGDZIH-SECBINFHSA-N 0 0 245.282 2.242 50 0 BEAARN CCCC(=O)Nc1ccccc1C(=O)N(C)C ZINC000006701659 342781091 /nfs/dbraw/zinc/78/10/91/342781091.db2.gz MHCJQYODKUFQAO-UHFFFAOYSA-N 0 0 234.299 2.127 50 0 BEAARN CC(=O)N[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000006704278 342781144 /nfs/dbraw/zinc/78/11/44/342781144.db2.gz MCUACTDXSGDZIH-VIFPVBQESA-N 0 0 245.282 2.242 50 0 BEAARN CCOc1ccc(-c2c[nH]nc2N)cc1OCC ZINC000006740899 342781864 /nfs/dbraw/zinc/78/18/64/342781864.db2.gz IKBPNRDKUUNIAV-UHFFFAOYSA-N 0 0 247.298 2.456 50 0 BEAARN CNC(=O)[C@@H](C)Sc1ccc(F)cc1 ZINC000040464746 538971463 /nfs/dbraw/zinc/97/14/63/538971463.db2.gz QYLXOLUWTMUIHV-SSDOTTSWSA-N 0 0 213.277 2.052 50 0 BEAARN CCCC(=O)Nc1ccc(OC)cc1N ZINC000008703564 342802997 /nfs/dbraw/zinc/80/29/97/342802997.db2.gz HKSZLVJMRFFXBF-UHFFFAOYSA-N 0 0 208.261 2.016 50 0 BEAARN Fc1ccc(CNc2ncccn2)cc1 ZINC000003161585 342788814 /nfs/dbraw/zinc/78/88/14/342788814.db2.gz ZJTVSAZKNICZGE-UHFFFAOYSA-N 0 0 203.220 2.228 50 0 BEAARN CCc1nc(CN[C@H](C)c2ccc(C)o2)no1 ZINC000097373967 342790607 /nfs/dbraw/zinc/79/06/07/342790607.db2.gz YSOUQIFDAXGCKC-SECBINFHSA-N 0 0 235.287 2.384 50 0 BEAARN COC(=O)C[C@@H](C)OC(=O)c1cccc(C)c1 ZINC000097376734 342791981 /nfs/dbraw/zinc/79/19/81/342791981.db2.gz XXEDOYSKZRDOBH-SNVBAGLBSA-N 0 0 236.267 2.103 50 0 BEAARN Cc1cc(C)cc(NC(=O)c2cnn(C)c2)c1 ZINC000002764531 342792804 /nfs/dbraw/zinc/79/28/04/342792804.db2.gz RXJXVEQOJCSJFO-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN Cc1cnn([C@H](C)c2n[nH]c(=S)n2C2CC2)c1 ZINC000002787826 342793461 /nfs/dbraw/zinc/79/34/61/342793461.db2.gz HWOUXDIAEXABCW-MRVPVSSYSA-N 0 0 249.343 2.390 50 0 BEAARN Clc1cc(Nc2cccnc2)ncn1 ZINC000036294479 342795126 /nfs/dbraw/zinc/79/51/26/342795126.db2.gz LWCNPZOVDCEEDG-UHFFFAOYSA-N 0 0 206.636 2.269 50 0 BEAARN C[C@H](O)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000008497953 342799449 /nfs/dbraw/zinc/79/94/49/342799449.db2.gz GWJXEIVLHPCSAF-ZETCQYMHSA-N 0 0 234.126 2.464 50 0 BEAARN CCc1ccc(C(=O)N2CCO[C@H](C)C2)s1 ZINC000040477917 538971847 /nfs/dbraw/zinc/97/18/47/538971847.db2.gz WJLMEEZUUOPPRC-SECBINFHSA-N 0 0 239.340 2.171 50 0 BEAARN O=C1CCCC[C@H]1n1nc(Cl)nc1Cl ZINC000009142782 342808794 /nfs/dbraw/zinc/80/87/94/342808794.db2.gz KCNRLSHZFZVZNQ-RXMQYKEDSA-N 0 0 234.086 2.269 50 0 BEAARN Cc1ccc(F)c(OCC(=O)N2CCCC2)c1 ZINC000085565967 398288636 /nfs/dbraw/zinc/28/86/36/398288636.db2.gz KHTKXZHZRQQYGQ-UHFFFAOYSA-N 0 0 237.274 2.135 50 0 BEAARN CCc1ccc(OCCc2nnc(N)s2)cc1 ZINC000008728318 342803702 /nfs/dbraw/zinc/80/37/02/342803702.db2.gz OOQJQVRHKIAKIZ-UHFFFAOYSA-N 0 0 249.339 2.304 50 0 BEAARN O=C1C[C@@H](c2ccccc2)Cc2n[nH]cc21 ZINC000008743925 342804404 /nfs/dbraw/zinc/80/44/04/342804404.db2.gz GEHQJOHVFOXESF-JTQLQIEISA-N 0 0 212.252 2.322 50 0 BEAARN CC(C)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000010157330 342834523 /nfs/dbraw/zinc/83/45/23/342834523.db2.gz WGLILDVDMWWTCA-UHFFFAOYSA-N 0 0 202.257 2.435 50 0 BEAARN Cc1cc(C)nc(N=NCc2ccccc2O)n1 ZINC000254287312 398292587 /nfs/dbraw/zinc/29/25/87/398292587.db2.gz VNMBQWKUSGVGQQ-UHFFFAOYSA-N 0 0 242.282 2.245 50 0 BEAARN C[C@@H](Nc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000055420997 539013249 /nfs/dbraw/zinc/01/32/49/539013249.db2.gz RQEOVEDAIQGRRH-SNVBAGLBSA-N 0 0 236.290 2.249 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NC[C@H]1COc2ccccc2C1 ZINC000047833522 539005753 /nfs/dbraw/zinc/00/57/53/539005753.db2.gz FDQNCMVCDPEIMF-NTZNESFSSA-N 0 0 245.322 2.010 50 0 BEAARN CCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000046417616 538995052 /nfs/dbraw/zinc/99/50/52/538995052.db2.gz VQSFQGKJSJXENB-NXEZZACHSA-N 0 0 237.299 2.091 50 0 BEAARN Cc1sc(N)nc1-c1ccc2c(c1)OCO2 ZINC000011757428 342843245 /nfs/dbraw/zinc/84/32/45/342843245.db2.gz OYDIWYBKYNFSAJ-UHFFFAOYSA-N 0 0 234.280 2.429 50 0 BEAARN COc1ncc(Br)cc1C ZINC000012359586 342849987 /nfs/dbraw/zinc/84/99/87/342849987.db2.gz RHYCFMXPPGZHAW-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 in-vitro BEAARN Cn1cc(COc2ccc(Cl)cc2N)cn1 ZINC000012395454 342850948 /nfs/dbraw/zinc/85/09/48/342850948.db2.gz ROGLTLPQWXTCTO-UHFFFAOYSA-N 0 0 237.690 2.235 50 0 BEAARN Cc1ccc2nc(C(N)=S)ccc2c1 ZINC000012394569 342851090 /nfs/dbraw/zinc/85/10/90/342851090.db2.gz MRGBXQCDBAPQDN-UHFFFAOYSA-N 0 0 202.282 2.177 50 0 BEAARN CCCn1cc2c(n1)[nH]c(=O)cc2C(F)F ZINC000012398263 342851312 /nfs/dbraw/zinc/85/13/12/342851312.db2.gz FAIIEMOYHBWCNQ-UHFFFAOYSA-N 0 0 227.214 2.072 50 0 BEAARN Nc1cc(C2CC2)nn1Cc1ccccc1 ZINC000012397825 342851316 /nfs/dbraw/zinc/85/13/16/342851316.db2.gz BBTTUUJCXZOFBU-UHFFFAOYSA-N 0 0 213.284 2.391 50 0 BEAARN Nc1n[nH]cc1-c1cccc(Br)c1 ZINC000012404927 342851590 /nfs/dbraw/zinc/85/15/90/342851590.db2.gz YHVUISAHXAWXIC-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN O=C([O-])c1ccc2[nH]cc(C[NH+]3CCCC3)c2c1 ZINC000012407622 342851848 /nfs/dbraw/zinc/85/18/48/342851848.db2.gz LXYZCSJJBICKQP-UHFFFAOYSA-N 0 0 244.294 2.462 50 0 BEAARN COC(=O)CCc1c(C)c(C=O)c2ccccn21 ZINC000012505231 342852620 /nfs/dbraw/zinc/85/26/20/342852620.db2.gz JORSIIZSZYLUKT-UHFFFAOYSA-N 0 0 245.278 2.166 50 0 BEAARN CCSc1nc2c(c(=O)n1CC)SCC2 ZINC000004339332 342853635 /nfs/dbraw/zinc/85/36/35/342853635.db2.gz MAADETFXNIJJNH-UHFFFAOYSA-N 0 0 242.369 2.023 50 0 BEAARN C[C@@]12CCc3ccccc3[C@@]1(C)NC(=O)O2 ZINC000004343964 342854393 /nfs/dbraw/zinc/85/43/93/342854393.db2.gz XJVXPDBBVSIYOA-CHWSQXEVSA-N 0 0 217.268 2.347 50 0 BEAARN C[C@@]12CCc3ccccc3[C@]1(C)NC(=O)O2 ZINC000004343962 342854639 /nfs/dbraw/zinc/85/46/39/342854639.db2.gz XJVXPDBBVSIYOA-OLZOCXBDSA-N 0 0 217.268 2.347 50 0 BEAARN Cc1ccsc1C(=O)NCc1cn(C)nc1C ZINC000032611427 342855401 /nfs/dbraw/zinc/85/54/01/342855401.db2.gz SXOLKSDHXLSKHD-UHFFFAOYSA-N 0 0 249.339 2.028 50 0 BEAARN CCCn1nccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000032611536 342855430 /nfs/dbraw/zinc/85/54/30/342855430.db2.gz BEIJMEXWJWAPKH-RYUDHWBXSA-N 0 0 249.358 2.411 50 0 BEAARN COC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000012908888 342860893 /nfs/dbraw/zinc/86/08/93/342860893.db2.gz SPAAUUYJRNLHLI-QMMMGPOBSA-N 0 0 226.659 2.064 50 0 BEAARN Cn1ccc(NC(=O)C2(c3ccccc3)CC2)n1 ZINC000012922666 342861065 /nfs/dbraw/zinc/86/10/65/342861065.db2.gz IWVLWISBWZDHQK-UHFFFAOYSA-N 0 0 241.294 2.090 50 0 BEAARN CC(C)CNC(=O)Cc1c[nH]c2ccccc12 ZINC000012976842 342862177 /nfs/dbraw/zinc/86/21/77/342862177.db2.gz FTYLSTVDIKNOQM-UHFFFAOYSA-N 0 0 230.311 2.483 50 0 BEAARN Cc1ccc(F)c(NC(=O)[C@@H]2CCCO2)c1 ZINC000012987997 342862614 /nfs/dbraw/zinc/86/26/14/342862614.db2.gz POVFIXLYQUQTQV-NSHDSACASA-N 0 0 223.247 2.252 50 0 BEAARN CCCc1cc(=O)[nH]c(Nc2ccc(O)cc2)n1 ZINC000013113926 342863699 /nfs/dbraw/zinc/86/36/99/342863699.db2.gz SRANCZAWVXVZCU-UHFFFAOYSA-N 0 0 245.282 2.172 50 0 BEAARN CCc1cccc(CC)c1NC(=O)CN(C)C ZINC000013323009 342865796 /nfs/dbraw/zinc/86/57/96/342865796.db2.gz ZGOJVHZWGJBQDP-UHFFFAOYSA-N 0 0 234.343 2.312 50 0 BEAARN Nc1ccccc1OCCc1ccccn1 ZINC000013331537 342865816 /nfs/dbraw/zinc/86/58/16/342865816.db2.gz MVEYDZDGZDCVQQ-UHFFFAOYSA-N 0 0 214.268 2.285 50 0 BEAARN COc1ccc(C(=O)c2ccc[nH]2)cc1 ZINC000013530004 342867333 /nfs/dbraw/zinc/86/73/33/342867333.db2.gz UZKMDDKNQVOMEC-UHFFFAOYSA-N 0 0 201.225 2.254 50 0 BEAARN CCCC(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000013631422 342869204 /nfs/dbraw/zinc/86/92/04/342869204.db2.gz JLMUITLBPOOQQF-UHFFFAOYSA-N 0 0 234.299 2.175 50 0 BEAARN CC(C)c1nnc(NC(=O)C(F)(F)F)s1 ZINC000003160577 346869446 /nfs/dbraw/zinc/86/94/46/346869446.db2.gz HXGBFURMNVWKNR-UHFFFAOYSA-N 0 0 239.222 2.162 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccsc1 ZINC000032741259 342871584 /nfs/dbraw/zinc/87/15/84/342871584.db2.gz QIEVYYLQLIJXFZ-SCZZXKLOSA-N 0 0 209.314 2.363 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccsc1 ZINC000032741260 342871604 /nfs/dbraw/zinc/87/16/04/342871604.db2.gz QIEVYYLQLIJXFZ-WPRPVWTQSA-N 0 0 209.314 2.363 50 0 BEAARN CSCC(=O)Nc1nc2c(s1)CCCC2 ZINC000009647620 398308740 /nfs/dbraw/zinc/30/87/40/398308740.db2.gz KMWWCYKJBHEJKK-UHFFFAOYSA-N 0 0 242.369 2.323 50 0 BEAARN CON(C)C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000032778277 342874944 /nfs/dbraw/zinc/87/49/44/342874944.db2.gz NDIYSHXLPNJZIM-UHFFFAOYSA-N 0 0 232.283 2.418 50 0 BEAARN C[C@H](CCc1ccco1)NC(=O)NCC1CC1 ZINC000032779706 342875046 /nfs/dbraw/zinc/87/50/46/342875046.db2.gz CPCSJYGUYNHVAW-SNVBAGLBSA-N 0 0 236.315 2.310 50 0 BEAARN Nc1c[nH]nc1-c1ccc(Br)cc1 ZINC000014007895 342875562 /nfs/dbraw/zinc/87/55/62/342875562.db2.gz HCQTVTWAYCKVBL-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN Fc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000014193527 342877993 /nfs/dbraw/zinc/87/79/93/342877993.db2.gz PRZCGLPHUYGMGF-UHFFFAOYSA-N 0 0 229.682 2.311 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)c1ccccn1 ZINC000032817679 342878265 /nfs/dbraw/zinc/87/82/65/342878265.db2.gz IIAYHDLICGBBGB-SNVBAGLBSA-N 0 0 230.267 2.036 50 0 BEAARN CN1C(=O)c2ccccc2N[C@H]1c1ccccn1 ZINC000015249051 342893734 /nfs/dbraw/zinc/89/37/34/342893734.db2.gz SYZNNAFQJRSWQV-CYBMUJFWSA-N 0 0 239.278 2.278 50 0 BEAARN Nc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000015412127 342895744 /nfs/dbraw/zinc/89/57/44/342895744.db2.gz FLRCQMIOFFBPAU-UHFFFAOYSA-N 0 0 220.316 2.134 50 0 BEAARN Cc1n[nH]cc1CNC(=O)C=Cc1ccsc1 ZINC000096292687 398317064 /nfs/dbraw/zinc/31/70/64/398317064.db2.gz PTQKEMNVQBAVIU-IHWYPQMZSA-N 0 0 247.323 2.109 50 0 BEAARN CC(C)(C)c1ccc(-c2noc(CN)n2)cc1 ZINC000015417151 342895992 /nfs/dbraw/zinc/89/59/92/342895992.db2.gz GXJWAKHWQZDCAR-UHFFFAOYSA-N 0 0 231.299 2.493 50 0 BEAARN COc1cc(Br)c(F)cc1O ZINC000015442282 342896400 /nfs/dbraw/zinc/89/64/00/342896400.db2.gz BJNIUDHOXUKBCY-UHFFFAOYSA-N 0 0 221.025 2.302 50 0 BEAARN Nc1cc(F)c(F)c(F)c1Br ZINC000015443794 342896643 /nfs/dbraw/zinc/89/66/43/342896643.db2.gz DHBSROPCTQUZQS-UHFFFAOYSA-N 0 0 225.995 2.449 50 0 BEAARN CONC(=O)NCc1oc2ccccc2c1C ZINC000096406800 398317829 /nfs/dbraw/zinc/31/78/29/398317829.db2.gz NAGOFUKQMFCLGG-UHFFFAOYSA-N 0 0 234.255 2.102 50 0 BEAARN CSc1ccccc1C(=O)Nc1ccn(C)n1 ZINC000032900116 342897245 /nfs/dbraw/zinc/89/72/45/342897245.db2.gz UJTDQXOWWWXMKM-UHFFFAOYSA-N 0 0 247.323 2.394 50 0 BEAARN Fc1ccc(Br)c2n[nH]cc21 ZINC000014986077 342890165 /nfs/dbraw/zinc/89/01/65/342890165.db2.gz DMELXNIJOPEOFT-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Fc1ccc2[nH]nc(Br)c2c1 ZINC000014983567 342890203 /nfs/dbraw/zinc/89/02/03/342890203.db2.gz YIZLRCNXHKTBBK-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Nc1cccc([C@H](O)c2cccs2)c1 ZINC000016275772 342909030 /nfs/dbraw/zinc/90/90/30/342909030.db2.gz PCULMMADXLYFKA-NSHDSACASA-N 0 0 205.282 2.412 50 0 BEAARN CCC(CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000016602806 342913195 /nfs/dbraw/zinc/91/31/95/342913195.db2.gz BQIOQFSXHSKDHT-GXSJLCMTSA-N 0 0 213.321 2.106 50 0 BEAARN CCOc1c(=O)c(=O)c1Nc1ccc(C)c(C)c1 ZINC000015768221 342900903 /nfs/dbraw/zinc/90/09/03/342900903.db2.gz QGJIWFDKCVRCSM-UHFFFAOYSA-N 0 0 245.278 2.042 50 0 BEAARN Cc1cc(C)nc(Nc2cccc(CO)c2)n1 ZINC000032908936 342903597 /nfs/dbraw/zinc/90/35/97/342903597.db2.gz GTGUOQLGWCOYEW-UHFFFAOYSA-N 0 0 229.283 2.329 50 0 BEAARN C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCO1 ZINC000016970907 342918251 /nfs/dbraw/zinc/91/82/51/342918251.db2.gz ZTHUFHDZSOTLRE-JQWIXIFHSA-N 0 0 225.332 2.250 50 0 BEAARN CC[C@H]1CCCCN1C(=O)Nc1nncs1 ZINC000043130607 342931823 /nfs/dbraw/zinc/93/18/23/342931823.db2.gz SGZWMNPWFYAFAH-QMMMGPOBSA-N 0 0 240.332 2.335 50 0 BEAARN Cc1cc(C(=O)Nc2ccnn2CC(C)C)no1 ZINC000069486057 398330057 /nfs/dbraw/zinc/33/00/57/398330057.db2.gz NUXJALKYBKYCMB-UHFFFAOYSA-N 0 0 248.286 2.088 50 0 BEAARN CC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC000019087977 342941427 /nfs/dbraw/zinc/94/14/27/342941427.db2.gz IOEXZAGJOSNXIL-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN C[C@@](C[NH3+])(Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000011979619 346886673 /nfs/dbraw/zinc/88/66/73/346886673.db2.gz FCIIPADFOOAKAY-NSHDSACASA-N 0 0 245.681 2.071 50 0 BEAARN CCOC(=O)c1c(Cl)ccc(C=O)c1F ZINC000116826637 342938059 /nfs/dbraw/zinc/93/80/59/342938059.db2.gz KJQFJDVYEHDEQB-UHFFFAOYSA-N 0 0 230.622 2.468 50 0 BEAARN CC(C)Cc1ccc([C@](C)([NH3+])C(=O)[O-])cc1 ZINC000019485864 342949782 /nfs/dbraw/zinc/94/97/82/342949782.db2.gz NNPRIWDPKFSCHG-ZDUSSCGKSA-N 0 0 221.300 2.144 50 0 BEAARN Cc1c(C(=O)N[C@H](C)c2cccs2)cnn1C ZINC000019553406 342951451 /nfs/dbraw/zinc/95/14/51/342951451.db2.gz VXUDKAFKYOVXHZ-MRVPVSSYSA-N 0 0 249.339 2.281 50 0 BEAARN CN(C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000019861914 342959838 /nfs/dbraw/zinc/95/98/38/342959838.db2.gz OYMFXONHTUORJI-SNVBAGLBSA-N 0 0 243.148 2.011 50 0 BEAARN CN(C)c1ccc(C2=NCCS2)cc1 ZINC000019851055 342959869 /nfs/dbraw/zinc/95/98/69/342959869.db2.gz XEUKWTMDLFTRPR-UHFFFAOYSA-N 0 0 206.314 2.246 50 0 BEAARN Cn1ccnc1Sc1ccccc1N ZINC000019845509 342960002 /nfs/dbraw/zinc/96/00/02/342960002.db2.gz VQHURTPGQMKPMZ-UHFFFAOYSA-N 0 0 205.286 2.154 50 0 BEAARN Nc1ccc2c(c1)CCN2C(=O)c1ccoc1 ZINC000019874563 342960227 /nfs/dbraw/zinc/96/02/27/342960227.db2.gz HTTWPHVXNOQCJQ-UHFFFAOYSA-N 0 0 228.251 2.065 50 0 BEAARN Nc1nc2ccc(C(=O)N3CCCC3)cc2s1 ZINC000020154885 342972607 /nfs/dbraw/zinc/97/26/07/342972607.db2.gz VZBQNKTUVDZSCW-UHFFFAOYSA-N 0 0 247.323 2.115 50 0 BEAARN Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000020193343 342975865 /nfs/dbraw/zinc/97/58/65/342975865.db2.gz MMAAQZGDDXCWAG-UHFFFAOYSA-N 0 0 244.269 2.338 50 0 BEAARN O=C(COc1ccc(F)cc1)NC1CCCC1 ZINC000019935032 342963586 /nfs/dbraw/zinc/96/35/86/342963586.db2.gz KIXWLNUIDDKQKH-UHFFFAOYSA-N 0 0 237.274 2.263 50 0 BEAARN CCCc1cc(C(=O)NCCc2ccco2)no1 ZINC000020539555 342990177 /nfs/dbraw/zinc/99/01/77/342990177.db2.gz ZVTMDGCYCFWSBG-UHFFFAOYSA-N 0 0 248.282 2.193 50 0 BEAARN CC(C)Oc1ccc(NC(N)=S)cc1 ZINC000020586257 342991796 /nfs/dbraw/zinc/99/17/96/342991796.db2.gz NFOHIBCWZCPLRB-UHFFFAOYSA-N 0 0 210.302 2.129 50 0 BEAARN Cc1c(Br)c(N)nn1C(C)C ZINC000020313717 342981649 /nfs/dbraw/zinc/98/16/49/342981649.db2.gz NIYLRNWDDJDJMI-UHFFFAOYSA-N 0 0 218.098 2.117 50 0 BEAARN Nc1cc(C(F)(F)F)c(Br)cn1 ZINC000020357590 342983243 /nfs/dbraw/zinc/98/32/43/342983243.db2.gz AEWYLVDLWQPJGW-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN COC(=O)[C@@H]1CC(=S)N(Cc2ccccc2)C1 ZINC000020358012 342983550 /nfs/dbraw/zinc/98/35/50/342983550.db2.gz GNDZSDHDZGZERP-LLVKDONJSA-N 0 0 249.335 2.009 50 0 BEAARN Cc1cn2cc(Br)ccc2n1 ZINC000020358097 342983612 /nfs/dbraw/zinc/98/36/12/342983612.db2.gz TVHRDJPRECFZQO-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CC[C@H](Oc1ccc(F)cc1)C(=O)NC1CC1 ZINC000020484591 342987262 /nfs/dbraw/zinc/98/72/62/342987262.db2.gz JDRQUTVSNIOJFU-LBPRGKRZSA-N 0 0 237.274 2.262 50 0 BEAARN Cc1cc(CN(C)C[C@@H](O)c2ccccc2)no1 ZINC000020516111 342989178 /nfs/dbraw/zinc/98/91/78/342989178.db2.gz OBLIPPRYIJMTGW-CQSZACIVSA-N 0 0 246.310 2.148 50 0 BEAARN O=C(CCn1cccn1)Nc1ccccc1F ZINC000020989157 343001244 /nfs/dbraw/zinc/00/12/44/343001244.db2.gz JAZVPOMJYAIFLZ-UHFFFAOYSA-N 0 0 233.246 2.051 50 0 BEAARN Cc1ccc(CCC(=O)Nc2nncs2)cc1 ZINC000021215629 343007356 /nfs/dbraw/zinc/00/73/56/343007356.db2.gz YCBYBMAPNNXEJF-UHFFFAOYSA-N 0 0 247.323 2.418 50 0 BEAARN O=C(c1nc(-c2cccs2)no1)N1CCCC1 ZINC000020722930 342994783 /nfs/dbraw/zinc/99/47/83/342994783.db2.gz PEWYCCYNXMVGAA-UHFFFAOYSA-N 0 0 249.295 2.034 50 0 BEAARN Cc1ccc(SCC(=O)N(C)C)cc1 ZINC000012866593 346915646 /nfs/dbraw/zinc/91/56/46/346915646.db2.gz VKOYKXALUNJFNI-UHFFFAOYSA-N 0 0 209.314 2.175 50 0 BEAARN CC(C)CC(=O)Nc1cc(N)ccc1F ZINC000021960763 343030517 /nfs/dbraw/zinc/03/05/17/343030517.db2.gz SFZWVHLJZBEVME-UHFFFAOYSA-N 0 0 210.252 2.393 50 0 BEAARN Cc1c(N)cccc1NC(=O)c1cccnc1 ZINC000021960891 343030789 /nfs/dbraw/zinc/03/07/89/343030789.db2.gz CJQOMPJESVUDCY-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN C[C@@H]1CC(C)(C)n2c(=O)c(=O)oc3cccc1c32 ZINC000022607233 343052378 /nfs/dbraw/zinc/05/23/78/343052378.db2.gz UIUDXVUSSXRFIE-MRVPVSSYSA-N 0 0 245.278 2.197 50 0 biogenic BEAARN CC(=O)c1cnn(-c2ccc(Cl)cn2)c1C ZINC000022995850 343057294 /nfs/dbraw/zinc/05/72/94/343057294.db2.gz ADGVJYLZRJHWKN-UHFFFAOYSA-N 0 0 235.674 2.432 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023055791 343058204 /nfs/dbraw/zinc/05/82/04/343058204.db2.gz FAGFCRKWFOEFIR-SECBINFHSA-N 0 0 235.283 2.442 50 0 BEAARN CCCC(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000024465006 343072675 /nfs/dbraw/zinc/07/26/75/343072675.db2.gz XJHCVRIUMWXWAC-UHFFFAOYSA-N 0 0 232.287 2.015 50 0 BEAARN Nc1cccc(CN=S2(=O)CCCC2)c1 ZINC000397010305 343078932 /nfs/dbraw/zinc/07/89/32/343078932.db2.gz IUESDXAKVCAYIF-UHFFFAOYSA-N 0 0 224.329 2.031 50 0 BEAARN Cc1c([C@H](C)NC(=O)c2cccs2)cnn1C ZINC000025006293 343083374 /nfs/dbraw/zinc/08/33/74/343083374.db2.gz VFKLLVLTXFNFLC-QMMMGPOBSA-N 0 0 249.339 2.281 50 0 BEAARN COCc1ccccc1CNC(=O)c1ccco1 ZINC000025303929 343089029 /nfs/dbraw/zinc/08/90/29/343089029.db2.gz VSIMDLBCCNPTPI-UHFFFAOYSA-N 0 0 245.278 2.356 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cn1 ZINC000032787758 343089148 /nfs/dbraw/zinc/08/91/48/343089148.db2.gz IDDFUWPPEVJXIQ-GWCFXTLKSA-N 0 0 247.342 2.436 50 0 BEAARN COCc1cccc(NC(=O)C2CCOCC2)c1 ZINC000025335135 343089430 /nfs/dbraw/zinc/08/94/30/343089430.db2.gz FCZXSKINADKBHW-UHFFFAOYSA-N 0 0 249.310 2.198 50 0 BEAARN CCOc1ncc(Br)c(OCC)n1 ZINC000025492220 343090932 /nfs/dbraw/zinc/09/09/32/343090932.db2.gz ZCDUGAGUVHOMPG-UHFFFAOYSA-N 0 0 247.092 2.037 50 0 BEAARN Nc1cccc(-c2nnc(-c3cccnc3)[nH]2)c1 ZINC000026508116 343106108 /nfs/dbraw/zinc/10/61/08/343106108.db2.gz CZWRZTWHOLCVKC-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN Cc1ccc(C)c(OCc2nnnn2C2CC2)c1 ZINC000065522750 178491947 /nfs/dbraw/zinc/49/19/47/178491947.db2.gz REZGMIBBLWIIMY-UHFFFAOYSA-N 0 0 244.298 2.204 50 0 BEAARN CONC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000025827367 343096198 /nfs/dbraw/zinc/09/61/98/343096198.db2.gz KDEJZXQPJWDMCP-UHFFFAOYSA-N 0 0 224.647 2.113 50 0 BEAARN CC(C)=CCN1CCC[C@@H]1c1noc(C)n1 ZINC000075573185 187234217 /nfs/dbraw/zinc/23/42/17/187234217.db2.gz LTUBQWMHTXVRMT-LLVKDONJSA-N 0 0 221.304 2.481 50 0 BEAARN CC(C)[C@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000026932663 343111318 /nfs/dbraw/zinc/11/13/18/343111318.db2.gz AFSPZNZIHUBPDR-QMMMGPOBSA-N 0 0 222.288 2.326 50 0 BEAARN O=C(CCc1cccs1)NCc1cccnc1 ZINC000028200488 343127361 /nfs/dbraw/zinc/12/73/61/343127361.db2.gz SZHMINFBYMASAA-UHFFFAOYSA-N 0 0 246.335 2.392 50 0 BEAARN CSc1ccccc1NCC(=O)NC1CC1 ZINC000028651194 343130592 /nfs/dbraw/zinc/13/05/92/343130592.db2.gz NQYVGPSTVYPCQB-UHFFFAOYSA-N 0 0 236.340 2.099 50 0 BEAARN COCc1cccc(NC(=O)c2ccccn2)c1 ZINC000029144017 343136139 /nfs/dbraw/zinc/13/61/39/343136139.db2.gz PIGBDJBXBVKEEM-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN CC(C)Oc1cccc(C(=O)N(C)C)c1 ZINC000006703275 343139382 /nfs/dbraw/zinc/13/93/82/343139382.db2.gz DMBZZIWLPXTNNZ-UHFFFAOYSA-N 0 0 207.273 2.176 50 0 BEAARN CCOC(=O)C(C)(C)c1ccc(N)cc1 ZINC000034580243 343142609 /nfs/dbraw/zinc/14/26/09/343142609.db2.gz QLWOMLYAERSUKT-UHFFFAOYSA-N 0 0 207.273 2.110 50 0 BEAARN NC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000000036676 187243985 /nfs/dbraw/zinc/24/39/85/187243985.db2.gz WQVBZJXNXCEFJN-UHFFFAOYSA-N 0 0 225.247 2.017 50 0 BEAARN Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000000056592 187244211 /nfs/dbraw/zinc/24/42/11/187244211.db2.gz JBNOVHJXQSHGRL-UHFFFAOYSA-N 0 0 229.157 2.394 50 0 in-vitro BEAARN CC(C)(C)[C@@]1(C)O[C@@](O)(C(F)(F)F)CC1=O ZINC000002209338 187245572 /nfs/dbraw/zinc/24/55/72/187245572.db2.gz QSVUWDXQLMDNME-DTWKUNHWSA-N 0 0 240.221 2.032 50 0 BEAARN C=C(F)C(=O)OCC(F)(F)C(F)(F)F ZINC000002573961 187245965 /nfs/dbraw/zinc/24/59/65/187245965.db2.gz KOEWOWNPLYLJOW-UHFFFAOYSA-N 0 0 222.084 2.210 50 0 BEAARN Clc1nc(Cl)nc(NCc2ccco2)n1 ZINC000003163426 187246004 /nfs/dbraw/zinc/24/60/04/187246004.db2.gz HWBNXFANYCASSK-UHFFFAOYSA-N 0 0 245.069 2.384 50 0 BEAARN CC1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O ZINC000003117607 187246027 /nfs/dbraw/zinc/24/60/27/187246027.db2.gz GIGVRJNVBNPLAD-ZDUSSCGKSA-N 0 0 235.283 2.126 50 0 BEAARN CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]C(C)C)cc1 ZINC000003326005 187246166 /nfs/dbraw/zinc/24/61/66/187246166.db2.gz TYIQCXFNQWXYBT-JTQLQIEISA-N 0 0 248.326 2.214 50 0 BEAARN CC(=O)c1ccc(Br)nc1 ZINC000002541713 187246319 /nfs/dbraw/zinc/24/63/19/187246319.db2.gz MUKKGHQBUKOMTD-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN COc1ccc([C@H](O)Cc2ccncc2)cc1 ZINC000004046534 187247079 /nfs/dbraw/zinc/24/70/79/187247079.db2.gz XDHAQPAJDNESBV-CQSZACIVSA-N 0 0 229.279 2.366 50 0 BEAARN CC(C)(C)c1ccc(-c2nc(CN)no2)cc1 ZINC000004942784 187247880 /nfs/dbraw/zinc/24/78/80/187247880.db2.gz DCMBWSIRUNTYNP-UHFFFAOYSA-N 0 0 231.299 2.493 50 0 BEAARN COc1ccc(C)nc1Br ZINC000005041157 187248052 /nfs/dbraw/zinc/24/80/52/187248052.db2.gz OUJFCUIDDZMCCW-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN CONC(=O)c1nc(-c2ccco2)sc1C ZINC000030867001 343210876 /nfs/dbraw/zinc/21/08/76/343210876.db2.gz BADLSOPHRRHBGZ-UHFFFAOYSA-N 0 0 238.268 2.003 50 0 BEAARN S=C1Nc2ccccc2[C@@H]2CC=NN12 ZINC000005660799 187248225 /nfs/dbraw/zinc/24/82/25/187248225.db2.gz KHNGLFNKVNNTKI-VIFPVBQESA-N 0 0 203.270 2.350 50 0 BEAARN CCn1ccc(C(=O)Nc2cccc(OC)c2)n1 ZINC000006731397 187248320 /nfs/dbraw/zinc/24/83/20/187248320.db2.gz FMBPUSDDKDBZFH-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN CC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000006857057 187248797 /nfs/dbraw/zinc/24/87/97/187248797.db2.gz MBFSMDCNNPTNBG-CYBMUJFWSA-N 0 0 235.283 2.203 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(C)cc2)on1 ZINC000006789416 187248853 /nfs/dbraw/zinc/24/88/53/187248853.db2.gz VPZAXQKNJUXUNC-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN CC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000000804562 187244778 /nfs/dbraw/zinc/24/47/78/187244778.db2.gz JKCKIMJFFGXHTG-LBPRGKRZSA-N 0 0 233.267 2.007 50 0 BEAARN Clc1nnc(Cl)c2cnccc12 ZINC000030678426 343193151 /nfs/dbraw/zinc/19/31/51/343193151.db2.gz LMVNXZZDBBSCSG-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN C/C=C/c1cc(OC)c2c(c1OC)OCO2 ZINC000012362791 187250610 /nfs/dbraw/zinc/25/06/10/187250610.db2.gz XKCIPTFOQRVXGG-SNAWJCMRSA-N 0 0 222.240 2.466 50 0 BEAARN COc1cc(CO)ccc1OCC(C)C ZINC000012940387 187250718 /nfs/dbraw/zinc/25/07/18/187250718.db2.gz HJAPVJOMUCQZSW-UHFFFAOYSA-N 0 0 210.273 2.222 50 0 BEAARN Cc1cc(C)nc(N[C@H](CO)c2ccccc2)n1 ZINC000032578136 343238221 /nfs/dbraw/zinc/23/82/21/343238221.db2.gz NZWWQAOORBIRRJ-CYBMUJFWSA-N 0 0 243.310 2.239 50 0 BEAARN CCCCOc1ccc(-c2nc(N)no2)cc1 ZINC000032624371 343238614 /nfs/dbraw/zinc/23/86/14/343238614.db2.gz LAQWULFNVMCVEP-UHFFFAOYSA-N 0 0 233.271 2.498 50 0 BEAARN Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000032625286 343238980 /nfs/dbraw/zinc/23/89/80/343238980.db2.gz BGFBZVHGHDLVPZ-UHFFFAOYSA-N 0 0 213.284 2.469 50 0 BEAARN Cc1cc(C)nc(NC(=O)OCC(F)(F)F)n1 ZINC000032628811 343239083 /nfs/dbraw/zinc/23/90/83/343239083.db2.gz JBXKUVLIHRVLQJ-UHFFFAOYSA-N 0 0 249.192 2.204 50 0 BEAARN C/C=C/c1cc(C(=O)NC)cc(OC)c1OC ZINC000008777243 187249409 /nfs/dbraw/zinc/24/94/09/187249409.db2.gz HRHYWTRBDGODFH-AATRIKPKSA-N 0 0 235.283 2.097 50 0 BEAARN O=C(c1ccc2c(c1)CCCC2)N1CCOCC1 ZINC000032740553 343241445 /nfs/dbraw/zinc/24/14/45/343241445.db2.gz NFPAPMRWXYVOQC-UHFFFAOYSA-N 0 0 245.322 2.038 50 0 BEAARN CCc1cc2c(ncnc2-n2ccnc2)s1 ZINC000048326310 343242587 /nfs/dbraw/zinc/24/25/87/343242587.db2.gz YDXPKCIMSYKISR-UHFFFAOYSA-N 0 0 230.296 2.439 50 0 BEAARN Cc1cc(C)n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000032843918 343243360 /nfs/dbraw/zinc/24/33/60/343243360.db2.gz GTNNAWFIMMUUSZ-GHMZBOCLSA-N 0 0 249.358 2.004 50 0 BEAARN COc1cc(N)ccc1NC(=O)C1CCCC1 ZINC000008703544 187249827 /nfs/dbraw/zinc/24/98/27/187249827.db2.gz FBGHZSNLVPMPDJ-UHFFFAOYSA-N 0 0 234.299 2.406 50 0 BEAARN O=C(NC[C@H]1CCC[C@@H]1O)Nc1cccs1 ZINC000072304776 343244643 /nfs/dbraw/zinc/24/46/43/343244643.db2.gz UWPICSKCXNDEAQ-BDAKNGLRSA-N 0 0 240.328 2.031 50 0 BEAARN COc1cc(C(=O)N2CCCC2)cc(OC)c1C ZINC000033019267 343246597 /nfs/dbraw/zinc/24/65/97/343246597.db2.gz SVJCGJOCDJKFMV-UHFFFAOYSA-N 0 0 249.310 2.248 50 0 BEAARN CCC(CC)N(C)c1nc(C)nc2c1cnn2C ZINC000072307684 343251179 /nfs/dbraw/zinc/25/11/79/343251179.db2.gz NSFXVULQMXJEHL-UHFFFAOYSA-N 0 0 247.346 2.297 50 0 BEAARN Nc1cc(OC(F)(F)F)c(F)cc1F ZINC000034295785 343267915 /nfs/dbraw/zinc/26/79/15/343267915.db2.gz YDLIEJPIFDOQSD-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN Cc1cnc(NC(=O)C(C)(C)C)c(C=O)c1 ZINC000034349064 343268495 /nfs/dbraw/zinc/26/84/95/343268495.db2.gz HMOHLNKCBWHRFI-UHFFFAOYSA-N 0 0 220.272 2.187 50 0 BEAARN COC(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000000462847 343269820 /nfs/dbraw/zinc/26/98/20/343269820.db2.gz OOJBQCYQQKKNQR-ZDUSSCGKSA-N 0 0 228.247 2.316 50 0 BEAARN C[C@H]1CN(C)[C@@H](c2ccccc2)CC1=O ZINC000002495483 343270747 /nfs/dbraw/zinc/27/07/47/343270747.db2.gz VNDAHOBGMUYYOM-CMPLNLGQSA-N 0 0 203.285 2.268 50 0 BEAARN Cc1ccnc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000016672077 343271056 /nfs/dbraw/zinc/27/10/56/343271056.db2.gz TVFSDJFFWCMYQL-QWRGUYRKSA-N 0 0 244.294 2.070 50 0 BEAARN Cc1ccc(I)c(C)c1N ZINC000034564239 343275012 /nfs/dbraw/zinc/27/50/12/343275012.db2.gz AINMAWPQCYWTBJ-UHFFFAOYSA-N 0 0 247.079 2.490 50 0 BEAARN CC1(C)NC(=O)N(C/C=C/c2ccccc2)C1=O ZINC000034801153 343278731 /nfs/dbraw/zinc/27/87/31/343278731.db2.gz GEHPJRAPYINDFX-RMKNXTFCSA-N 0 0 244.294 2.030 50 0 BEAARN Cc1ccc(C)n1NC(=O)c1ccco1 ZINC000000608601 178510151 /nfs/dbraw/zinc/51/01/51/178510151.db2.gz RVQLAJSJIFAYBD-UHFFFAOYSA-N 0 0 204.229 2.082 50 0 BEAARN CCc1cc(=O)[nH]c(-c2ccc(C)cc2)n1 ZINC000036755179 343323451 /nfs/dbraw/zinc/32/34/51/343323451.db2.gz UJVYVDKNXJYARD-UHFFFAOYSA-N 0 0 214.268 2.308 50 0 BEAARN COc1ccc(CNc2cnn(C)c2)cc1OC ZINC000020350272 187254245 /nfs/dbraw/zinc/25/42/45/187254245.db2.gz WALSEFOXSSAFQJ-UHFFFAOYSA-N 0 0 247.298 2.049 50 0 BEAARN Clc1ccc2c(Cl)ncnc2n1 ZINC000035269718 343291419 /nfs/dbraw/zinc/29/14/19/343291419.db2.gz VRXZQRLAIVDILJ-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN C[C@@H](C[NH2+]Cc1ccccn1)Oc1ccccn1 ZINC000035684104 343301984 /nfs/dbraw/zinc/30/19/84/343301984.db2.gz LDGOZLDQUMPDCZ-LBPRGKRZSA-N 0 0 243.310 2.034 50 0 BEAARN COc1cc(N)c(OC)c(Br)c1 ZINC000038284402 343373265 /nfs/dbraw/zinc/37/32/65/343373265.db2.gz GPCODUGWJGGDIV-UHFFFAOYSA-N 0 0 232.077 2.049 50 0 BEAARN Cc1csc(CC(=O)OC(C)(C)C)n1 ZINC000038342266 343374173 /nfs/dbraw/zinc/37/41/73/343374173.db2.gz MLQVUFYQYRTZBT-UHFFFAOYSA-N 0 0 213.302 2.336 50 0 BEAARN NN=c1[nH]c2ccc(OC(F)(F)F)cc2s1 ZINC000038478258 343375523 /nfs/dbraw/zinc/37/55/23/343375523.db2.gz DYZRKRXUAGGAPE-UHFFFAOYSA-N 0 0 249.217 2.481 50 0 BEAARN Cc1cc(Br)c2ncc(C=O)n2c1 ZINC000038537058 343376536 /nfs/dbraw/zinc/37/65/36/343376536.db2.gz BUUMCTHNWPJIMU-UHFFFAOYSA-N 0 0 239.072 2.218 50 0 BEAARN CC(C)(C)Nc1ncc(Br)cn1 ZINC000038537693 343376847 /nfs/dbraw/zinc/37/68/47/343376847.db2.gz CDWJPISSORTFRO-UHFFFAOYSA-N 0 0 230.109 2.450 50 0 BEAARN Cc1n[nH]cc1CNc1ccc(O)cc1 ZINC000037132190 343335634 /nfs/dbraw/zinc/33/56/34/343335634.db2.gz QSTMBNRKWLIAGA-UHFFFAOYSA-N 0 0 203.245 2.036 50 0 BEAARN COC[C@H](C)NC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000071798661 343377506 /nfs/dbraw/zinc/37/75/06/343377506.db2.gz VFIYYQPQQUKAOY-UWVGGRQHSA-N 0 0 230.352 2.097 50 0 BEAARN CC(C)Cc1cc(CNc2cnccn2)[nH]n1 ZINC000032577584 187256229 /nfs/dbraw/zinc/25/62/29/187256229.db2.gz NGMHRKWDUCDEIW-UHFFFAOYSA-N 0 0 231.303 2.010 50 0 BEAARN Cc1[nH]c(C=O)c(C)c1Br ZINC000037624325 343349687 /nfs/dbraw/zinc/34/96/87/343349687.db2.gz MZWOWXCHTRXTRI-UHFFFAOYSA-N 0 0 202.051 2.207 50 0 BEAARN CC(=O)C[C@](N)(c1ccccc1)C(F)(F)F ZINC000032629052 187256771 /nfs/dbraw/zinc/25/67/71/187256771.db2.gz DRMRVGAOPWTKPZ-JTQLQIEISA-N 0 0 231.217 2.382 50 0 BEAARN C/C=C/C=C/C(=O)NCc1cccc(OC)c1 ZINC000036398009 187259071 /nfs/dbraw/zinc/25/90/71/187259071.db2.gz GEUVNHGTGJVVBK-PRKJJMSOSA-N 0 0 231.295 2.444 50 0 BEAARN Cc1ccc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018145576 178518490 /nfs/dbraw/zinc/51/84/90/178518490.db2.gz UCOPVZIZENWXOX-BETUJISGSA-N 0 0 247.338 2.173 50 0 BEAARN Brc1noc(-c2ccccc2)n1 ZINC000033834938 187257430 /nfs/dbraw/zinc/25/74/30/187257430.db2.gz WJLDWMUZNIQXET-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN O=C(OCc1ccccc1)N1CCCCC(=O)C1 ZINC000038998981 343381230 /nfs/dbraw/zinc/38/12/30/343381230.db2.gz XEMFQWHEMOEYHP-UHFFFAOYSA-N 0 0 247.294 2.378 50 0 BEAARN COC(=O)c1nc2cc(Cl)ccc2o1 ZINC000039617088 343390929 /nfs/dbraw/zinc/39/09/29/343390929.db2.gz BZEDFEOWFUPXIA-UHFFFAOYSA-N 0 0 211.604 2.268 50 0 BEAARN O=C(CCNc1ccccn1)NC1CCCCC1 ZINC000048608476 343392172 /nfs/dbraw/zinc/39/21/72/343392172.db2.gz MEIBEIIHINWRPS-UHFFFAOYSA-N 0 0 247.342 2.333 50 0 BEAARN Cc1ccc(CNC(=O)C2CCC2)s1 ZINC000040541692 343406786 /nfs/dbraw/zinc/40/67/86/343406786.db2.gz WOOMINFYAQXJJS-UHFFFAOYSA-N 0 0 209.314 2.473 50 0 BEAARN COc1ccc(CNc2ccncn2)cc1OC ZINC000040863141 343410851 /nfs/dbraw/zinc/41/08/51/343410851.db2.gz LDULTEAGAXEHQI-UHFFFAOYSA-N 0 0 245.282 2.106 50 0 BEAARN CC(=O)COc1cccc(Br)c1 ZINC000041125605 343416165 /nfs/dbraw/zinc/41/61/65/343416165.db2.gz LGUCAJHCWJFEEJ-UHFFFAOYSA-N 0 0 229.073 2.417 50 0 BEAARN CSc1nc(NCc2cccc(C)c2)n[nH]1 ZINC000041154168 343416330 /nfs/dbraw/zinc/41/63/30/343416330.db2.gz RDPSHCWFIACGJJ-UHFFFAOYSA-N 0 0 234.328 2.447 50 0 BEAARN O=C(NC1CC1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000335705709 136335762 /nfs/dbraw/zinc/33/57/62/136335762.db2.gz YLWOZUHYVHZLBQ-RNFRBKRXSA-N 0 0 221.222 2.244 50 0 BEAARN Brc1n[nH]c(C2CCCC2)n1 ZINC000042384180 343435673 /nfs/dbraw/zinc/43/56/73/343435673.db2.gz NNCJNEWZPHAAAC-UHFFFAOYSA-N 0 0 216.082 2.225 50 0 BEAARN CC(C)(C)OC(=O)Nc1cncs1 ZINC000042684380 343447867 /nfs/dbraw/zinc/44/78/67/343447867.db2.gz FFBWDCMWXFIZAT-UHFFFAOYSA-N 0 0 200.263 2.490 50 0 BEAARN CCCc1noc([C@@H](C)N2CCCC2)n1 ZINC000044583626 343508494 /nfs/dbraw/zinc/50/84/94/343508494.db2.gz AKNUTJWSARITSS-SECBINFHSA-N 0 0 209.293 2.179 50 0 BEAARN C[C@H](NC(=O)CC(F)(F)F)c1ccncc1 ZINC000044600683 343509459 /nfs/dbraw/zinc/50/94/59/343509459.db2.gz NYANNXVURADCTD-ZETCQYMHSA-N 0 0 232.205 2.211 50 0 BEAARN CNc1ccccc1C(=O)C(F)(F)F ZINC000039055289 187262591 /nfs/dbraw/zinc/26/25/91/187262591.db2.gz OCBFFMSUNUNWSK-UHFFFAOYSA-N 0 0 203.163 2.473 50 0 BEAARN Cc1ccccc1OCCn1ccccc1=O ZINC000039981979 187263034 /nfs/dbraw/zinc/26/30/34/187263034.db2.gz AQLHTSJKAAHUQN-UHFFFAOYSA-N 0 0 229.279 2.236 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cn1 ZINC000044945304 343519562 /nfs/dbraw/zinc/51/95/62/343519562.db2.gz YCZJZZWTDKEYIH-CYBMUJFWSA-N 0 0 230.311 2.363 50 0 BEAARN Cc1c(N)c(Cl)ncc1Br ZINC000045329594 343528264 /nfs/dbraw/zinc/52/82/64/343528264.db2.gz ITPSFLLGFGUUQH-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN O=C1CC(=O)CC(c2cccc(F)c2)C1 ZINC000040448047 187264422 /nfs/dbraw/zinc/26/44/22/187264422.db2.gz GCITYZWCVPHSGE-UHFFFAOYSA-N 0 0 206.216 2.231 50 0 BEAARN CC(C)(C)NC(=O)Cc1noc2ccccc12 ZINC000047835258 343566364 /nfs/dbraw/zinc/56/63/64/343566364.db2.gz ZADYCJHDPREENA-UHFFFAOYSA-N 0 0 232.283 2.285 50 0 BEAARN Cc1cc(NC(=O)Cc2ccc(C)cc2)on1 ZINC000013597009 343584051 /nfs/dbraw/zinc/58/40/51/343584051.db2.gz XAUVGNBSIHBFIX-UHFFFAOYSA-N 0 0 230.267 2.473 50 0 BEAARN O=C(CCc1ccccc1)N1CCSCC1 ZINC000049209018 343594342 /nfs/dbraw/zinc/59/43/42/343594342.db2.gz GKBJESBNIGGWRV-UHFFFAOYSA-N 0 0 235.352 2.195 50 0 BEAARN Cc1cccc(NC(=S)NCc2ccco2)n1 ZINC000013574066 343579095 /nfs/dbraw/zinc/57/90/95/343579095.db2.gz DTMHRJCHFFJPMM-UHFFFAOYSA-N 0 0 247.323 2.470 50 0 BEAARN CC(C)CN(Cc1ncc[nH]1)Cc1ccccn1 ZINC000055575979 343671169 /nfs/dbraw/zinc/67/11/69/343671169.db2.gz NSUQMBQJEAADAU-UHFFFAOYSA-N 0 0 244.342 2.463 50 0 BEAARN CCC1(CC)C(=O)N=C(SC)NC1=O ZINC000068589597 168454063 /nfs/dbraw/zinc/45/40/63/168454063.db2.gz WKXIMXDXAHJEMT-UHFFFAOYSA-N 0 0 214.290 2.009 50 0 BEAARN Cc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)s1 ZINC000045445919 187269066 /nfs/dbraw/zinc/26/90/66/187269066.db2.gz SPAMNDUEOYVIAW-DTWKUNHWSA-N 0 0 239.340 2.306 50 0 BEAARN CCN1C(=O)CN2c3ccccc3C(C)(C)[C@@]12C ZINC000000518763 346959800 /nfs/dbraw/zinc/95/98/00/346959800.db2.gz QDAYJNWCMIZKFJ-HNNXBMFYSA-N 0 0 244.338 2.363 50 0 biogenic BEAARN CCOc1ccccc1-c1cc(C)nc(N)n1 ZINC000052837889 187271362 /nfs/dbraw/zinc/27/13/62/187271362.db2.gz PZDITPQYXAQVDC-UHFFFAOYSA-N 0 0 229.283 2.433 50 0 BEAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)C)o1 ZINC000053366163 187272468 /nfs/dbraw/zinc/27/24/68/187272468.db2.gz FVJKGWIZPAXWOU-GXSJLCMTSA-N 0 0 221.300 2.424 50 0 BEAARN COC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC000012980011 537813121 /nfs/dbraw/zinc/81/31/21/537813121.db2.gz JUNBHEYULBVUEX-JTQLQIEISA-N 0 0 208.282 2.185 50 0 BEAARN Cc1cc(Cl)ccc1NC(=O)NCCCO ZINC000065587019 187273486 /nfs/dbraw/zinc/27/34/86/187273486.db2.gz GICZAMLWRZXTQE-UHFFFAOYSA-N 0 0 242.706 2.152 50 0 BEAARN CC1(C)CC(=O)NC[C@H]1c1ccccc1 ZINC000238181342 537817354 /nfs/dbraw/zinc/81/73/54/537817354.db2.gz AHVIYUHXIHQZPC-NSHDSACASA-N 0 0 203.285 2.316 50 0 BEAARN Cc1cccc(CSCC(=O)N(C)C)c1 ZINC000040459567 187275589 /nfs/dbraw/zinc/27/55/89/187275589.db2.gz YQAZOPOFTNEHEL-UHFFFAOYSA-N 0 0 223.341 2.316 50 0 BEAARN Cc1cccc(CO)c1Br ZINC000064033438 187274112 /nfs/dbraw/zinc/27/41/12/187274112.db2.gz KOMJECHMWYAILT-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN CC(=O)N1CC[C@@H](Cc2ccc(Cl)nc2)C1 ZINC000072343882 187276301 /nfs/dbraw/zinc/27/63/01/187276301.db2.gz YNSZOJHWJQAAPV-NSHDSACASA-N 0 0 238.718 2.146 50 0 BEAARN C[C@H](CCC(C)(C)O)NC(=O)c1ccccc1 ZINC000071774222 187276474 /nfs/dbraw/zinc/27/64/74/187276474.db2.gz GSCXHZIPXLKRIE-LLVKDONJSA-N 0 0 235.327 2.356 50 0 BEAARN Cn1cncc1CCSc1cccc(O)c1 ZINC000298166173 187352701 /nfs/dbraw/zinc/35/27/01/187352701.db2.gz FJAMKHJADPTPFE-UHFFFAOYSA-N 0 0 234.324 2.461 50 0 BEAARN C[C@H](NC(=O)[C@H]1CCCS1)C(C)(F)F ZINC000334681936 343901571 /nfs/dbraw/zinc/90/15/71/343901571.db2.gz CKKORMFLWUFBNJ-NKWVEPMBSA-N 0 0 223.288 2.042 50 0 BEAARN O=C([O-])c1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000075869121 187278050 /nfs/dbraw/zinc/27/80/50/187278050.db2.gz WZMCLPOONMWUFX-NSHDSACASA-N 0 0 205.257 2.199 50 0 BEAARN CC(C)C(=O)CNC(=O)c1ccc2[nH]ccc2c1 ZINC000135125972 343939229 /nfs/dbraw/zinc/93/92/29/343939229.db2.gz NGIWIJFSSIYSDJ-UHFFFAOYSA-N 0 0 244.294 2.123 50 0 BEAARN Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1 ZINC000000025451 343915059 /nfs/dbraw/zinc/91/50/59/343915059.db2.gz QFKBOOXPXLFSMB-UHFFFAOYSA-N 0 0 220.659 2.073 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)c1cccnc1 ZINC000033206543 343966934 /nfs/dbraw/zinc/96/69/34/343966934.db2.gz JBRMZVLGMPAGMG-SNVBAGLBSA-N 0 0 230.267 2.036 50 0 BEAARN Fc1ccc(CNc2ncnc3nc[nH]c32)cc1 ZINC000000040547 344062503 /nfs/dbraw/zinc/06/25/03/344062503.db2.gz RTDOAIHBIBHEJA-UHFFFAOYSA-N 0 0 243.245 2.104 50 0 BEAARN CC1=CS(=O)(=O)c2c1cccc2Cl ZINC000083255195 187284326 /nfs/dbraw/zinc/28/43/26/187284326.db2.gz RVXUOIAUUUPODW-UHFFFAOYSA-N 0 0 214.673 2.488 50 0 BEAARN OCc1ccn(CCc2ccccc2)c1 ZINC000085589084 187285512 /nfs/dbraw/zinc/28/55/12/187285512.db2.gz JUXHBFSZLPJYJB-UHFFFAOYSA-N 0 0 201.269 2.223 50 0 BEAARN COc1cc(Br)ccc1CCCO ZINC000095348197 187287211 /nfs/dbraw/zinc/28/72/11/187287211.db2.gz LUCNACDGUKTNLV-UHFFFAOYSA-N 0 0 245.116 2.383 50 0 BEAARN CC(C)COC(=O)Nc1nccs1 ZINC000000053164 344101373 /nfs/dbraw/zinc/10/13/73/344101373.db2.gz WAWZBPLNYBHWTD-UHFFFAOYSA-N 0 0 200.263 2.348 50 0 BEAARN CC[C@H](O)c1nccn1Cc1ccsc1 ZINC000585137016 344148610 /nfs/dbraw/zinc/14/86/10/344148610.db2.gz DDITZVZAAFXUAN-JTQLQIEISA-N 0 0 222.313 2.436 50 0 BEAARN CSC[C@@H](C)CNc1ncnc2ncccc21 ZINC000095973316 187289214 /nfs/dbraw/zinc/28/92/14/187289214.db2.gz BIIQRIHCKCUNGB-VIFPVBQESA-N 0 0 248.355 2.436 50 0 BEAARN CCc1cnc(N)nc1N[C@@H](C)c1nccs1 ZINC000091680137 344283428 /nfs/dbraw/zinc/28/34/28/344283428.db2.gz YAYOTPUPVUTDCV-ZETCQYMHSA-N 0 0 249.343 2.251 50 0 BEAARN CCc1cnc(N)nc1N[C@H](C)c1nccs1 ZINC000091680143 344283514 /nfs/dbraw/zinc/28/35/14/344283514.db2.gz YAYOTPUPVUTDCV-SSDOTTSWSA-N 0 0 249.343 2.251 50 0 BEAARN CC(=O)c1ccc2[nH]c(C)cc(=O)c2c1 ZINC000008627487 344242530 /nfs/dbraw/zinc/24/25/30/344242530.db2.gz HTIGKARJHIITBV-UHFFFAOYSA-N 0 0 201.225 2.039 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@]2(C)C(=O)C[C@]2(C)C1 ZINC000306746074 344423448 /nfs/dbraw/zinc/42/34/48/344423448.db2.gz CWOXQAMIOOWCKT-CHWSQXEVSA-N 0 0 239.315 2.223 50 0 BEAARN CCN(CC)C(=O)c1cc(N)ccc1C ZINC000041031610 344413011 /nfs/dbraw/zinc/41/30/11/344413011.db2.gz SMQCFRCXNGXSOG-UHFFFAOYSA-N 0 0 206.289 2.059 50 0 BEAARN CCC(C)(CC)NC(=O)[C@H]1CCCn2ccnc21 ZINC000072310187 344467733 /nfs/dbraw/zinc/46/77/33/344467733.db2.gz KYQZNULKIALEHY-NSHDSACASA-N 0 0 249.358 2.455 50 0 BEAARN C[C@@H](c1ccccn1)N1CCOC(C)(C)C1 ZINC000072312056 344473601 /nfs/dbraw/zinc/47/36/01/344473601.db2.gz HTEJGLIZUXXIJC-NSHDSACASA-N 0 0 220.316 2.253 50 0 BEAARN CCc1cc2c(cc1C(C)=O)OCCO2 ZINC000004837611 344494070 /nfs/dbraw/zinc/49/40/70/344494070.db2.gz UGYDYLPULMLTRH-UHFFFAOYSA-N 0 0 206.241 2.223 50 0 BEAARN CCn1nccc1NC(=O)[C@@H]1CC=CCC1 ZINC000072242247 344520830 /nfs/dbraw/zinc/52/08/30/344520830.db2.gz HRDUKYXZLSZDBD-SNVBAGLBSA-N 0 0 219.288 2.198 50 0 BEAARN Cc1ccc(NC(=O)Nc2nncs2)cc1 ZINC000000137511 344563006 /nfs/dbraw/zinc/56/30/06/344563006.db2.gz NKKRQPPOZQYMPU-UHFFFAOYSA-N 0 0 234.284 2.491 50 0 BEAARN Cc1ccc(F)cc1-n1c(=O)[nH]nc1C1CCC1 ZINC000065529754 178681485 /nfs/dbraw/zinc/68/14/85/178681485.db2.gz DXODMDVDWVZEOO-UHFFFAOYSA-N 0 0 247.273 2.276 50 0 BEAARN O=c1cc(N2CCCC2)c2ccccc2o1 ZINC000000247545 344659547 /nfs/dbraw/zinc/65/95/47/344659547.db2.gz CTMZKBHKIOWYSZ-UHFFFAOYSA-N 0 0 215.252 2.393 50 0 BEAARN NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000152702966 344672708 /nfs/dbraw/zinc/67/27/08/344672708.db2.gz UJXHXBHMPZRNTQ-SVGQVSJJSA-N 0 0 228.654 2.003 50 0 BEAARN Cc1ccc(NC(=O)c2cccnc2)c(O)c1 ZINC000000206258 344640694 /nfs/dbraw/zinc/64/06/94/344640694.db2.gz QKAWFROVGVPWOD-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN O=C1CO[C@H](c2ccccc2)[C@H]2CCCCN12 ZINC000000386909 344740831 /nfs/dbraw/zinc/74/08/31/344740831.db2.gz DOMCFYUEFOEBGH-TZMCWYRMSA-N 0 0 231.295 2.139 50 0 BEAARN CCOC(=O)N1CCC(C(=O)SCC)=C1C ZINC000000384042 344740960 /nfs/dbraw/zinc/74/09/60/344740960.db2.gz XFPKRXXPLGTQOW-UHFFFAOYSA-N 0 0 243.328 2.402 50 0 BEAARN CC(=O)C(C(C)=O)=C1SC[C@@H](C)S1 ZINC000000338544 344707368 /nfs/dbraw/zinc/70/73/68/344707368.db2.gz VKNRBTDSIQYQQU-RXMQYKEDSA-N 0 0 216.327 2.245 50 0 BEAARN CC1=C2CCC[C@@H]3C(=O)OC[C@]23CCC1=O ZINC000000343231 344712743 /nfs/dbraw/zinc/71/27/43/344712743.db2.gz IZSYRAMVXJMYEW-ZWNOBZJWSA-N 0 0 220.268 2.009 50 0 BEAARN CN(C)C(=O)c1cscc1Br ZINC000118701691 344816960 /nfs/dbraw/zinc/81/69/60/344816960.db2.gz CJPUSPJADBATJK-UHFFFAOYSA-N 0 0 234.118 2.212 50 0 BEAARN Cc1cc(OC(=O)c2ccc(C)cc2)n[nH]1 ZINC000000387891 344884252 /nfs/dbraw/zinc/88/42/52/344884252.db2.gz DCEQQPLPVYXGOE-UHFFFAOYSA-N 0 0 216.240 2.246 50 0 BEAARN FC(F)(F)C1CCN(c2ncccn2)CC1 ZINC000078558603 344882344 /nfs/dbraw/zinc/88/23/44/344882344.db2.gz HUKAPUCINNBJOG-UHFFFAOYSA-N 0 0 231.221 2.255 50 0 BEAARN OCc1nc(C(F)(F)F)ccc1OC(F)F ZINC000390107675 344900444 /nfs/dbraw/zinc/90/04/44/344900444.db2.gz UVTOBYKUVAYTFQ-UHFFFAOYSA-N 0 0 243.131 2.194 50 0 BEAARN CC[C@](C)(NCc1ccccc1)C(=O)OC ZINC000037952478 344912825 /nfs/dbraw/zinc/91/28/25/344912825.db2.gz VWZJRJFDEGQECF-ZDUSSCGKSA-N 0 0 221.300 2.118 50 0 BEAARN O=C1NC(=O)C(=Cc2ccsc2)S1 ZINC000001204551 187299510 /nfs/dbraw/zinc/29/95/10/187299510.db2.gz YIBJLSACWOVLEB-UTCJRWHESA-N 0 0 211.267 2.072 50 0 BEAARN COC(=O)c1ccc(C(F)(F)F)nc1F ZINC000238382726 345036879 /nfs/dbraw/zinc/03/68/79/345036879.db2.gz SOULLKAIHWLQIH-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN C[C@H](CCc1ccco1)NC(=O)[C@H]1C[C@H]1C ZINC000248153520 345059425 /nfs/dbraw/zinc/05/94/25/345059425.db2.gz CHCUSMVCAWIIQG-FOGDFJRCSA-N 0 0 221.300 2.373 50 0 BEAARN Nc1c(Br)ccnc1C(F)(F)F ZINC000238634143 345098535 /nfs/dbraw/zinc/09/85/35/345098535.db2.gz HPFAXXSXBHSVRL-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN CCc1cc(=O)[nH]c(Nc2cccc(C)c2)n1 ZINC000011991416 345102666 /nfs/dbraw/zinc/10/26/66/345102666.db2.gz QQWSXHPTAXDSNY-UHFFFAOYSA-N 0 0 229.283 2.384 50 0 BEAARN CC(=O)Nc1nc(C)ccc1Br ZINC000146543059 345378089 /nfs/dbraw/zinc/37/80/89/345378089.db2.gz GNRKGLSYIBFJLI-UHFFFAOYSA-N 0 0 229.077 2.111 50 0 BEAARN CCCn1cnc2sc(C)c(C)c2c1=O ZINC000000949483 187301726 /nfs/dbraw/zinc/30/17/26/187301726.db2.gz HNDHFJTYYJZPQI-UHFFFAOYSA-N 0 0 222.313 2.485 50 0 BEAARN COc1ccc2[nH]c(=O)cc(OC(C)C)c2c1 ZINC000170626195 187304299 /nfs/dbraw/zinc/30/42/99/187304299.db2.gz PVHNGQUATQWUEE-UHFFFAOYSA-N 0 0 233.267 2.324 50 0 BEAARN COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000252570829 345538846 /nfs/dbraw/zinc/53/88/46/345538846.db2.gz XILYHENRCOTOGI-DMDPSCGWSA-N 0 0 248.326 2.074 50 0 BEAARN CC(C)n1c(=O)c2cc(F)ccc2[n-]c1=S ZINC000000425278 345627926 /nfs/dbraw/zinc/62/79/26/345627926.db2.gz KVVFRIOQTCEYMS-UHFFFAOYSA-N 0 0 238.287 2.405 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)Nc2cn[nH]c2)o1 ZINC000043721608 178885586 /nfs/dbraw/zinc/88/55/86/178885586.db2.gz BIPKCIIGNQELHT-QMMMGPOBSA-N 0 0 234.259 2.194 50 0 BEAARN CC[C@@H](C)NC(=O)Nc1cc(C)ns1 ZINC000072313511 537903358 /nfs/dbraw/zinc/90/33/58/537903358.db2.gz BJQSGPMFHUHWLA-ZCFIWIBFSA-N 0 0 213.306 2.372 50 0 BEAARN O=C(NC1CC1)c1cscc1Br ZINC000117609661 345678150 /nfs/dbraw/zinc/67/81/50/345678150.db2.gz ZMRIXBOJXDZNNH-UHFFFAOYSA-N 0 0 246.129 2.403 50 0 BEAARN O=C(N[C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000095423937 345686133 /nfs/dbraw/zinc/68/61/33/345686133.db2.gz OVWFFFYONVDXQF-LBPRGKRZSA-N 0 0 241.294 2.217 50 0 BEAARN O=C(Nc1cccc(CO)c1)C1=CCCC1 ZINC000095977686 345686851 /nfs/dbraw/zinc/68/68/51/345686851.db2.gz FCNMDVXFFRMAAK-UHFFFAOYSA-N 0 0 217.268 2.228 50 0 BEAARN Cc1cc(C(=O)N2CC3(C2)CCCCC3)no1 ZINC000096003916 345686962 /nfs/dbraw/zinc/68/69/62/345686962.db2.gz JRYSSAIPGKSMJW-UHFFFAOYSA-N 0 0 234.299 2.389 50 0 BEAARN C[C@@H]1OCC[C@@H]1Sc1ncc(Cl)cn1 ZINC000095973772 345687037 /nfs/dbraw/zinc/68/70/37/345687037.db2.gz BFUGTWSLJOARCO-XPUUQOCRSA-N 0 0 230.720 2.400 50 0 BEAARN Cc1cc(NC(=O)N2CCC=C(F)C2)no1 ZINC000096013170 345687488 /nfs/dbraw/zinc/68/74/88/345687488.db2.gz QBUCEDDXKOFZJO-UHFFFAOYSA-N 0 0 225.223 2.074 50 0 BEAARN CCCN1c2ccccc2[C@@H](C(N)=O)C[C@H]1C ZINC000225202169 535004618 /nfs/dbraw/zinc/00/46/18/535004618.db2.gz JATCQMNAJOMXKN-PWSUYJOCSA-N 0 0 232.327 2.264 50 0 BEAARN CCc1cc(=O)[nH]c(Nc2cccc(OC)c2)n1 ZINC000005183579 345813294 /nfs/dbraw/zinc/81/32/94/345813294.db2.gz QWWFXNSIXYXRAO-UHFFFAOYSA-N 0 0 245.282 2.085 50 0 BEAARN CC(=O)Nc1nnc(-c2ccc(C)cc2C)o1 ZINC000005169596 345784925 /nfs/dbraw/zinc/78/49/25/345784925.db2.gz YJWWTOGEGVYRAX-UHFFFAOYSA-N 0 0 231.255 2.312 50 0 BEAARN CN(Cc1ccoc1)C(=O)NC1CCCC1 ZINC000048845079 345825219 /nfs/dbraw/zinc/82/52/19/345825219.db2.gz UMGSZJOEOCPYRR-UHFFFAOYSA-N 0 0 222.288 2.364 50 0 BEAARN Cc1nc(C)c(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)o1 ZINC000073990551 537912776 /nfs/dbraw/zinc/91/27/76/537912776.db2.gz MCUDEYSDUPZGRN-VXGBXAGGSA-N 0 0 246.310 2.330 50 0 BEAARN OCc1conc1-c1ccc(Cl)cc1 ZINC000143082864 345890253 /nfs/dbraw/zinc/89/02/53/345890253.db2.gz DYUDRDUXHQCZQG-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN Cc1n[nH]c2c1NC1(CCC(C)(C)CC1)NC2=O ZINC000076018025 345869232 /nfs/dbraw/zinc/86/92/32/345869232.db2.gz SDOUGYCOZOYGQA-UHFFFAOYSA-N 0 0 248.330 2.170 50 0 BEAARN Cc1oncc1COC(=O)c1c[nH]nc1C(C)C ZINC000170610745 345870862 /nfs/dbraw/zinc/87/08/62/345870862.db2.gz MEXHLCMRMJYPQC-UHFFFAOYSA-N 0 0 249.270 2.187 50 0 BEAARN C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)C ZINC000685939481 537928969 /nfs/dbraw/zinc/92/89/69/537928969.db2.gz PDPKVLUVLMHLGQ-GMTAPVOTSA-N 0 0 213.321 2.058 50 0 BEAARN CCOC[C@H](C)OC(=O)c1ccc(C)o1 ZINC000190793515 345985514 /nfs/dbraw/zinc/98/55/14/345985514.db2.gz PPVXIOGQSJZYAB-VIFPVBQESA-N 0 0 212.245 2.170 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1ccc(C)o1 ZINC000190740880 345986106 /nfs/dbraw/zinc/98/61/06/345986106.db2.gz PPVXIOGQSJZYAB-SECBINFHSA-N 0 0 212.245 2.170 50 0 BEAARN Cc1ccc2c(c1)c1nnc(=S)[nH]c1n2C ZINC000001242028 178959399 /nfs/dbraw/zinc/95/93/99/178959399.db2.gz XHUJZZKRFHPNOA-UHFFFAOYSA-N 0 0 230.296 2.488 50 0 BEAARN COc1ccc(O)c(C(=O)N2CCCC[C@@H]2C)c1 ZINC000032903741 187362565 /nfs/dbraw/zinc/36/25/65/187362565.db2.gz OEDYGYSGFARSJF-JTQLQIEISA-N 0 0 249.310 2.415 50 0 BEAARN Cc1noc(C)c1Cn1c(C)c(C)sc1=O ZINC000076062572 537931917 /nfs/dbraw/zinc/93/19/17/537931917.db2.gz LSNIZGMSJATFNU-UHFFFAOYSA-N 0 0 238.312 2.180 50 0 BEAARN C[C@H](CCO)Nc1nccc(C2CCCC2)n1 ZINC000071416163 537948378 /nfs/dbraw/zinc/94/83/78/537948378.db2.gz LHVVMUYSWBEAPV-SNVBAGLBSA-N 0 0 235.331 2.317 50 0 BEAARN Cc1cccc(-n2cnc(Cl)c2CO)c1 ZINC000069949556 179000761 /nfs/dbraw/zinc/00/07/61/179000761.db2.gz VRWNYNNRKBVXRB-UHFFFAOYSA-N 0 0 222.675 2.326 50 0 BEAARN CCOC(=O)C1=Cc2ccccc2NC1 ZINC000005325376 346187239 /nfs/dbraw/zinc/18/72/39/346187239.db2.gz MQMXSHBNOLRHRA-UHFFFAOYSA-N 0 0 203.241 2.059 50 0 BEAARN NP(N)(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003121485 346228575 /nfs/dbraw/zinc/22/85/75/346228575.db2.gz MZXUFSXWQWCWMY-UHFFFAOYSA-N 0 0 214.249 2.066 50 0 BEAARN Cc1ccnc(-n2sc3ccccc3c2=O)n1 ZINC000003292855 537957621 /nfs/dbraw/zinc/95/76/21/537957621.db2.gz IXQZKZKVGGJPMS-UHFFFAOYSA-N 0 0 243.291 2.151 50 0 BEAARN O[C@H](Cc1nc2ccccc2[nH]1)c1ccncc1 ZINC000034182398 346217867 /nfs/dbraw/zinc/21/78/67/346217867.db2.gz NBOWNOMUQNMZKA-CYBMUJFWSA-N 0 0 239.278 2.234 50 0 BEAARN CCOC(=O)[C@H](C)Cc1cc(F)c(O)c(F)c1 ZINC000095629382 346217974 /nfs/dbraw/zinc/21/79/74/346217974.db2.gz REZNQKBGCOTNER-SSDOTTSWSA-N 0 0 244.237 2.412 50 0 BEAARN CC(=O)c1c(C)[nH]c(C(=O)NC(C)(C)C)c1C ZINC000002648191 346222158 /nfs/dbraw/zinc/22/21/58/346222158.db2.gz QOFMWQVCIWFPRU-UHFFFAOYSA-N 0 0 236.315 2.362 50 0 BEAARN c1coc(-c2nnc3n2CCCCC3)c1 ZINC000003191152 537956715 /nfs/dbraw/zinc/95/67/15/537956715.db2.gz ATONLSHHMCYURP-UHFFFAOYSA-N 0 0 203.245 2.265 50 0 BEAARN Cc1cccc(C(=O)N2CCCC[C@H]2C)n1 ZINC000032909239 179008806 /nfs/dbraw/zinc/00/88/06/179008806.db2.gz IYQOXGBQNVBZID-LLVKDONJSA-N 0 0 218.300 2.405 50 0 BEAARN Cc1cccc(C(=O)NCCCn2ccnc2)c1 ZINC000015974355 179015443 /nfs/dbraw/zinc/01/54/43/179015443.db2.gz KTHZDKHDCIBZPG-UHFFFAOYSA-N 0 0 243.310 2.012 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000016604675 179023144 /nfs/dbraw/zinc/02/31/44/179023144.db2.gz ISDUWWXJUQDUEQ-YPMHNXCESA-N 0 0 233.311 2.292 50 0 BEAARN Cc1cccc(C(=O)OCC(=O)NC(C)(C)C)c1 ZINC000003442824 179026062 /nfs/dbraw/zinc/02/60/62/179026062.db2.gz SXAFUOMBOSRBLS-UHFFFAOYSA-N 0 0 249.310 2.067 50 0 BEAARN C1=CC[C@@H]2CN(c3nc(C4CC4)no3)C[C@@H]2C1 ZINC000078370795 537964125 /nfs/dbraw/zinc/96/41/25/537964125.db2.gz YEADSVSDAZSBMT-PHIMTYICSA-N 0 0 231.299 2.349 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)c2ncon2)c1F ZINC000097047496 179021013 /nfs/dbraw/zinc/02/10/13/179021013.db2.gz RLFFZQSESNPAHD-QMMMGPOBSA-N 0 0 249.245 2.008 50 0 BEAARN Cc1nnc(-c2coc3ccc(C)cc3c2=O)o1 ZINC000005618998 346283312 /nfs/dbraw/zinc/28/33/12/346283312.db2.gz QQXJGDGPIHKDJZ-UHFFFAOYSA-N 0 0 242.234 2.460 50 0 BEAARN Cc1cccc(C)c1C(=O)N[C@H](C)[C@@H](C)CO ZINC000095441342 179031718 /nfs/dbraw/zinc/03/17/18/179031718.db2.gz ZGAHCYHKPHXQFJ-NWDGAFQWSA-N 0 0 235.327 2.050 50 0 BEAARN Cc1cccc(C)c1OCc1nnnn1C1CC1 ZINC000065562249 179048387 /nfs/dbraw/zinc/04/83/87/179048387.db2.gz OGWBFXZITLEYQG-UHFFFAOYSA-N 0 0 244.298 2.204 50 0 BEAARN Cc1cccc(CC(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000013320071 179052802 /nfs/dbraw/zinc/05/28/02/179052802.db2.gz MVPYMUWRFGFCQJ-GXTWGEPZSA-N 0 0 247.338 2.221 50 0 BEAARN C[C@H]1OC(C)(c2cccc(O)c2)O[C@@H]1C ZINC000000399059 346416523 /nfs/dbraw/zinc/41/65/23/346416523.db2.gz ANNCTEFTJPKYBJ-RKDXNWHRSA-N 0 0 208.257 2.389 50 0 BEAARN Cc1cccc(CNC(=O)c2cccnc2)c1 ZINC000026019814 179088833 /nfs/dbraw/zinc/08/88/33/179088833.db2.gz PBAAAEBFGCASSJ-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C)c1 ZINC000032760759 179086735 /nfs/dbraw/zinc/08/67/35/179086735.db2.gz JXKCBEJQWITBPW-ZYHUDNBSSA-N 0 0 203.285 2.267 50 0 BEAARN O=S(=O)(CCF)c1ccc(Cl)cc1 ZINC000306963559 133626854 /nfs/dbraw/zinc/62/68/54/133626854.db2.gz HUXIJOLZVQIOJD-UHFFFAOYSA-N 0 0 222.668 2.083 50 0 BEAARN COC(=O)c1cnoc1-c1ccc(C)cc1 ZINC000149534611 346505436 /nfs/dbraw/zinc/50/54/36/346505436.db2.gz RIIBCVSYKSZANI-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000002497949 346509904 /nfs/dbraw/zinc/50/99/04/346509904.db2.gz JGDUMIBAOOVVLK-SSDOTTSWSA-N 0 0 208.261 2.080 50 0 BEAARN CCCC(=O)NCc1ccccc1OC ZINC000003094200 346545846 /nfs/dbraw/zinc/54/58/46/346545846.db2.gz HIXFASOHBYDACU-UHFFFAOYSA-N 0 0 207.273 2.112 50 0 BEAARN Cc1cccc(N2C(=O)c3ccccc3C2=O)n1 ZINC000000063794 179121430 /nfs/dbraw/zinc/12/14/30/179121430.db2.gz CFNKFWRAPXKASS-UHFFFAOYSA-N 0 0 238.246 2.191 50 0 BEAARN Cn1ncnc1CSCCC(C)(C)C ZINC000187506839 346580053 /nfs/dbraw/zinc/58/00/53/346580053.db2.gz JBRFUOUFTTWAHW-UHFFFAOYSA-N 0 0 213.350 2.485 50 0 BEAARN Cc1cccc(N2C(=O)[C@@H]3CCCN3C2=S)c1 ZINC000000217543 179122720 /nfs/dbraw/zinc/12/27/20/179122720.db2.gz ITLXIVUNRVMYPH-NSHDSACASA-N 0 0 246.335 2.091 50 0 BEAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N(C)C)c1 ZINC000008051250 346669577 /nfs/dbraw/zinc/66/95/77/346669577.db2.gz UNVOSJQEWKMKOK-NSHDSACASA-N 0 0 221.300 2.159 50 0 BEAARN Cc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)n1 ZINC000096013079 179131326 /nfs/dbraw/zinc/13/13/26/179131326.db2.gz VMZUUHRIMZSDTD-NSHDSACASA-N 0 0 249.314 2.033 50 0 BEAARN Cc1cccc(NC(=O)N2CCC(O)CC2)c1C ZINC000040525351 179131418 /nfs/dbraw/zinc/13/14/18/179131418.db2.gz BWKJJCXKZPECNS-UHFFFAOYSA-N 0 0 248.326 2.292 50 0 BEAARN Cc1cccc(NC(=O)N2CCC[C@H](CO)C2)c1 ZINC000008937036 179132657 /nfs/dbraw/zinc/13/26/57/179132657.db2.gz IGOAIYPIYCFKHO-LBPRGKRZSA-N 0 0 248.326 2.231 50 0 BEAARN Cc1cccc(NC(=O)NCC2(C)COC2)c1 ZINC000013331618 179133869 /nfs/dbraw/zinc/13/38/69/179133869.db2.gz PQXIZHOEMHTAOT-UHFFFAOYSA-N 0 0 234.299 2.153 50 0 BEAARN Cc1ccc(NC(=O)C2CCC2)c(O)c1 ZINC000008378833 346676209 /nfs/dbraw/zinc/67/62/09/346676209.db2.gz VOOKKQGKKJBLPO-UHFFFAOYSA-N 0 0 205.257 2.439 50 0 BEAARN Cc1cccc(NCN2C(=O)CSC2=O)c1 ZINC000003880750 179146876 /nfs/dbraw/zinc/14/68/76/179146876.db2.gz PKHZXISVHOQCMC-UHFFFAOYSA-N 0 0 236.296 2.060 50 0 BEAARN Cc1cccc(N[C@@H](C)C(=O)NC2CC2)c1C ZINC000007042215 179153725 /nfs/dbraw/zinc/15/37/25/179153725.db2.gz ITMJQCYBQFWPRA-NSHDSACASA-N 0 0 232.327 2.382 50 0 BEAARN Cc1cccc(OCCc2nnc(N)s2)c1 ZINC000008728317 179169519 /nfs/dbraw/zinc/16/95/19/179169519.db2.gz PMBYIFQKPOWPDW-UHFFFAOYSA-N 0 0 235.312 2.050 50 0 BEAARN Cc1cccc(OCCSC(N)=S)c1 ZINC000002997737 179169887 /nfs/dbraw/zinc/16/98/87/179169887.db2.gz SRLJYICBYKKOJH-UHFFFAOYSA-N 0 0 227.354 2.351 50 0 BEAARN Cc1cccc(OCC(=O)NCC(C)C)c1 ZINC000000449619 179162818 /nfs/dbraw/zinc/16/28/18/179162818.db2.gz BYDLLAGCJMITRD-UHFFFAOYSA-N 0 0 221.300 2.146 50 0 BEAARN CCCC(=O)Nc1cccc2nsnc21 ZINC000000373627 168565983 /nfs/dbraw/zinc/56/59/83/168565983.db2.gz LBWRZYTZHBERGJ-UHFFFAOYSA-N 0 0 221.285 2.430 50 0 BEAARN Cc1cccc(Oc2cc[n+]([O-])cc2)c1 ZINC000071773163 179175780 /nfs/dbraw/zinc/17/57/80/179175780.db2.gz PAHBGGMPTGQKBM-UHFFFAOYSA-N 0 0 201.225 2.421 50 0 BEAARN CC(C)Sc1ncccc1C(=O)N1CCC1 ZINC000061138338 537987633 /nfs/dbraw/zinc/98/76/33/537987633.db2.gz GUGSRPPDHNSNSO-UHFFFAOYSA-N 0 0 236.340 2.428 50 0 BEAARN [O-][n+]1cccc2ncc3ccsc3c21 ZINC000034590186 347182134 /nfs/dbraw/zinc/18/21/34/347182134.db2.gz IUJOOWBSIQMJAJ-UHFFFAOYSA-N 0 0 202.238 2.083 50 0 BEAARN COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000149487306 347255549 /nfs/dbraw/zinc/25/55/49/347255549.db2.gz XPPFHUISTWWSKZ-UHFFFAOYSA-N 0 0 243.262 2.474 50 0 BEAARN Cc1cccc2c1nc1n(c2=O)CCCCC1 ZINC000004089273 179207759 /nfs/dbraw/zinc/20/77/59/179207759.db2.gz KVZGXTYBFMHCMT-UHFFFAOYSA-N 0 0 228.295 2.431 50 0 BEAARN Cc1ccc(CSc2nccc(=O)[nH]2)cc1 ZINC000017946273 347272336 /nfs/dbraw/zinc/27/23/36/347272336.db2.gz QNDWAUVHQRTMMJ-UHFFFAOYSA-N 0 0 232.308 2.371 50 0 BEAARN Cc1cccc([C@H](O)c2c[nH]cn2)c1C ZINC000098210438 179202075 /nfs/dbraw/zinc/20/20/75/179202075.db2.gz PRCKVXIQIZUDDK-LBPRGKRZSA-N 0 0 202.257 2.108 50 0 BEAARN Cc1cccc2c1CCN2C(=O)[C@H]1CCCOC1 ZINC000089688967 179213287 /nfs/dbraw/zinc/21/32/87/179213287.db2.gz ZCHXRZMFKZPDSA-LBPRGKRZSA-N 0 0 245.322 2.311 50 0 BEAARN CC(C)c1ccccc1O[C@@H](C)C(N)=O ZINC000020040633 347403313 /nfs/dbraw/zinc/40/33/13/347403313.db2.gz ZQEQYQGCYOETIH-VIFPVBQESA-N 0 0 207.273 2.063 50 0 BEAARN Cc1cccc2c3nnc(=S)[nH]c3n(C)c21 ZINC000000974064 179225106 /nfs/dbraw/zinc/22/51/06/179225106.db2.gz LTMGKMNFDCFPFJ-UHFFFAOYSA-N 0 0 230.296 2.114 50 0 BEAARN Cc1ccccc1-c1nnc([C@@H](C)N)o1 ZINC000011586079 179240001 /nfs/dbraw/zinc/24/00/01/179240001.db2.gz SPXSCCMLXDRMEW-MRVPVSSYSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000075156705 179250545 /nfs/dbraw/zinc/25/05/45/179250545.db2.gz UGMMHKYXCOSUJS-NEPJUHHUSA-N 0 0 233.311 2.028 50 0 BEAARN Cc1ccccc1C(=O)NCc1ccccn1 ZINC000000272929 179251496 /nfs/dbraw/zinc/25/14/96/179251496.db2.gz DUTZUEJWXKKPAZ-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1ccccc1CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000006700214 179260320 /nfs/dbraw/zinc/26/03/20/179260320.db2.gz MRZXFNQCLKKOQN-TZMCWYRMSA-N 0 0 247.338 2.221 50 0 BEAARN Cc1ccccc1CCC[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000237723515 179261664 /nfs/dbraw/zinc/26/16/64/179261664.db2.gz HGLPAOZGVCQJHQ-AWEZNQCLSA-N 0 0 247.338 2.477 50 0 BEAARN Cc1ccccc1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000013322951 179257183 /nfs/dbraw/zinc/25/71/83/179257183.db2.gz AVBJARZCHSJAGS-BETUJISGSA-N 0 0 247.338 2.173 50 0 BEAARN CC(C)C(=O)Nc1nnc(C2CC2)s1 ZINC000003252783 347549846 /nfs/dbraw/zinc/54/98/46/347549846.db2.gz SBESGDZIKLSDRB-UHFFFAOYSA-N 0 0 211.290 2.010 50 0 BEAARN Cc1ccc2c(c1)CCN2C(=O)[C@@H]([NH3+])CC(C)C ZINC000195555055 347639803 /nfs/dbraw/zinc/63/98/03/347639803.db2.gz RXGRBLKCLRFYOA-ZDUSSCGKSA-N 0 0 246.354 2.258 50 0 BEAARN CC(C)=CCOC(=O)c1ccc2c(c1)nnn2C ZINC000195549691 347641243 /nfs/dbraw/zinc/64/12/43/347641243.db2.gz LVAVYPAOAZYBBF-UHFFFAOYSA-N 0 0 245.282 2.091 50 0 BEAARN Cc1ccccc1CCc1cc(N)n[nH]1 ZINC000041210779 179266999 /nfs/dbraw/zinc/26/69/99/179266999.db2.gz TYDUIXLKOWFZET-UHFFFAOYSA-N 0 0 201.273 2.086 50 0 BEAARN Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C ZINC000032678666 179279296 /nfs/dbraw/zinc/27/92/96/179279296.db2.gz SHDVIQPUDSDHMT-ZYHUDNBSSA-N 0 0 203.285 2.267 50 0 BEAARN CCn1ncc(C)c1NC(=O)c1occc1C ZINC000618443718 347801786 /nfs/dbraw/zinc/80/17/86/347801786.db2.gz KYFTZHVUTJQWJI-UHFFFAOYSA-N 0 0 233.271 2.365 50 0 BEAARN Cc1ccccc1NC(=O)NCC1(O)CCCC1 ZINC000044448534 179300674 /nfs/dbraw/zinc/30/06/74/179300674.db2.gz SDCQPQBPLRBNGW-UHFFFAOYSA-N 0 0 248.326 2.422 50 0 BEAARN Cc1ccccc1NC(=O)Nc1cnccn1 ZINC000015952152 179300935 /nfs/dbraw/zinc/30/09/35/179300935.db2.gz VUCIRFOFGHHABW-UHFFFAOYSA-N 0 0 228.255 2.429 50 0 BEAARN Cc1ccccc1NC(=O)[C@H]1CC(=O)OC1(C)C ZINC000000468676 179301371 /nfs/dbraw/zinc/30/13/71/179301371.db2.gz ATMSPCFBNONWNE-SNVBAGLBSA-N 0 0 247.294 2.275 50 0 BEAARN Cc1cnc(C)c(NCC[C@@H]2CCCOC2)n1 ZINC000528073283 323172845 /nfs/dbraw/zinc/17/28/45/323172845.db2.gz SXXGXDNOCXMLQA-LBPRGKRZSA-N 0 0 235.331 2.322 50 0 BEAARN Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](O)C1 ZINC000085378498 179333268 /nfs/dbraw/zinc/33/32/68/179333268.db2.gz HGVCGPPOINAEML-OLZOCXBDSA-N 0 0 247.338 2.082 50 0 BEAARN Cc1nc(Cc2ccc(Cl)cc2)n[nH]1 ZINC000036960704 347981356 /nfs/dbraw/zinc/98/13/56/347981356.db2.gz QEXAATUILWZHEJ-UHFFFAOYSA-N 0 0 207.664 2.357 50 0 BEAARN Cc1cccnc1-c1noc(C2CC2)n1 ZINC000084847026 179358381 /nfs/dbraw/zinc/35/83/81/179358381.db2.gz NPSBXSVBOSIBBJ-UHFFFAOYSA-N 0 0 201.229 2.317 50 0 BEAARN CC(C)CNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000014591338 362899658 /nfs/dbraw/zinc/89/96/58/362899658.db2.gz WKWYNAMJWDRHBP-XQRVVYSFSA-N 0 0 247.294 2.201 50 0 biogenic,in-vitro BEAARN Cc1noc(C)c1CC(=O)Nc1cc(C)ccn1 ZINC000009118014 179435134 /nfs/dbraw/zinc/43/51/34/179435134.db2.gz NKVBGIOSHLDTFG-UHFFFAOYSA-N 0 0 245.282 2.176 50 0 BEAARN Cc1ccoc1C(=O)N1CCC[C@H](C)C1 ZINC000040480526 179502635 /nfs/dbraw/zinc/50/26/35/179502635.db2.gz AFXOTLDCLFUSCD-VIFPVBQESA-N 0 0 207.273 2.460 50 0 BEAARN Cc1cnc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 ZINC000084258213 179570740 /nfs/dbraw/zinc/57/07/40/179570740.db2.gz SMUXLIXJKADXCD-AAEUAGOBSA-N 0 0 245.326 2.190 50 0 BEAARN Cc1cnc(CSC2CCOCC2)o1 ZINC000096484849 179615869 /nfs/dbraw/zinc/61/58/69/179615869.db2.gz MBLYUIGKKMTPEO-UHFFFAOYSA-N 0 0 213.302 2.395 50 0 BEAARN O=C([O-])C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000198528782 348760319 /nfs/dbraw/zinc/76/03/19/348760319.db2.gz HNPKFUZUQMRRMP-GFCCVEGCSA-N 0 0 237.274 2.437 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@]12CCC[C@@H](C)C2 ZINC000669384608 538016699 /nfs/dbraw/zinc/01/66/99/538016699.db2.gz YRJFXUOEJCHNTJ-ADEWGFFLSA-N 0 0 212.289 2.287 50 0 BEAARN Cc1cnn(CCOc2ccc(F)cc2)c1 ZINC000078805524 179741449 /nfs/dbraw/zinc/74/14/49/179741449.db2.gz IQTACHHODDLLIW-UHFFFAOYSA-N 0 0 220.247 2.410 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC[C@H]1CCO ZINC000001436024 190971991 /nfs/dbraw/zinc/97/19/91/190971991.db2.gz LTVQOFUGXMVESU-JTQLQIEISA-N 0 0 229.320 2.158 50 0 BEAARN Cc1ccc(OCCc2nnc(N)s2)cc1 ZINC000008728283 190978236 /nfs/dbraw/zinc/97/82/36/190978236.db2.gz QMBIUXOJDPFNJX-UHFFFAOYSA-N 0 0 235.312 2.050 50 0 BEAARN Cc1cc(C(=O)NC2CCC(C)CC2)[nH]n1 ZINC000006942709 538035293 /nfs/dbraw/zinc/03/52/93/538035293.db2.gz QIWROJIDXGXMPW-UHFFFAOYSA-N 0 0 221.304 2.027 50 0 BEAARN Cc1nc(NCc2ccccc2Cl)n[nH]1 ZINC000035684097 179837949 /nfs/dbraw/zinc/83/79/49/179837949.db2.gz JGWAEJHZUBXQEY-UHFFFAOYSA-N 0 0 222.679 2.379 50 0 BEAARN Cc1ccsc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000002642752 349268667 /nfs/dbraw/zinc/26/86/67/349268667.db2.gz VXXYJKCFIMSTAN-UWVGGRQHSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1nc(-c2cccc(-c3cc[nH]n3)c2)no1 ZINC000019771104 179864740 /nfs/dbraw/zinc/86/47/40/179864740.db2.gz JBIWYQJFCVXGPY-UHFFFAOYSA-N 0 0 226.239 2.435 50 0 BEAARN Cc1cc2c(nc(C)nc2-c2cnoc2)o1 ZINC000004006295 179870669 /nfs/dbraw/zinc/87/06/69/179870669.db2.gz DHWHNWWIIKUOKV-UHFFFAOYSA-N 0 0 215.212 2.495 50 0 BEAARN Cc1nc(-c2nn3c(nnc3C3CC3)s2)co1 ZINC000049547610 179871328 /nfs/dbraw/zinc/87/13/28/179871328.db2.gz ZGNNGFMEOIWZED-UHFFFAOYSA-N 0 0 247.283 2.027 50 0 BEAARN Cc1ccc(COC2CN(C(=O)C(C)C)C2)cc1 ZINC000035508957 190985901 /nfs/dbraw/zinc/98/59/01/190985901.db2.gz PPQJXBKZLLCURD-UHFFFAOYSA-N 0 0 247.338 2.378 50 0 BEAARN Nc1ccc(Br)c(C2CC2)n1 ZINC000217974992 350078424 /nfs/dbraw/zinc/07/84/24/350078424.db2.gz PGLYBTNFMFBWPO-UHFFFAOYSA-N 0 0 213.078 2.304 50 0 BEAARN CC(C)(C)OC(=O)CSC1CCOCC1 ZINC000131349737 191012971 /nfs/dbraw/zinc/01/29/71/191012971.db2.gz KPOOMMVYKRXDOI-UHFFFAOYSA-N 0 0 232.345 2.240 50 0 BEAARN Cc1nc(CNC(=O)c2ccccn2)sc1C ZINC000041567446 179965993 /nfs/dbraw/zinc/96/59/93/179965993.db2.gz VXNRWFCTECLWFP-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN CCCC1OCC2(CO1)COC(CCC)OC2 ZINC000000339102 168607579 /nfs/dbraw/zinc/60/75/79/168607579.db2.gz AAEMVLVCGTYKOQ-UHFFFAOYSA-N 0 0 244.331 2.319 50 0 BEAARN Cc1nc(COc2cccc(C)c2F)no1 ZINC000097053664 179979786 /nfs/dbraw/zinc/97/97/86/179979786.db2.gz FQAXZBYJRCUNPX-UHFFFAOYSA-N 0 0 222.219 2.405 50 0 BEAARN Cc1nc(Cl)cc(NC[C@H](O)C(C)(C)C)n1 ZINC000071900436 179988843 /nfs/dbraw/zinc/98/88/43/179988843.db2.gz VLRQHEXDUHHOJM-QMMMGPOBSA-N 0 0 243.738 2.257 50 0 BEAARN Cc1nc(NC(=O)C2CCC2)sc1C ZINC000007685745 180005065 /nfs/dbraw/zinc/00/50/65/180005065.db2.gz RLVQCDGERMIMFS-UHFFFAOYSA-N 0 0 210.302 2.499 50 0 BEAARN CC(C)[C@H]1N=C(c2ccccc2)OC1=O ZINC000003182175 350089250 /nfs/dbraw/zinc/08/92/50/350089250.db2.gz KSSKJTXJMKNHPG-SNVBAGLBSA-N 0 0 203.241 2.015 50 0 BEAARN Cc1nc(SCc2oc(=O)oc2C)[nH]c1C ZINC000096136913 180033420 /nfs/dbraw/zinc/03/34/20/180033420.db2.gz SMQPPYPJFRYURF-UHFFFAOYSA-N 0 0 240.284 2.173 50 0 BEAARN CCOC(=O)c1ccnc(F)c1C(F)(F)F ZINC000309168744 350115173 /nfs/dbraw/zinc/11/51/73/350115173.db2.gz JPMHBLFKVGPQNZ-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN CC(C)(C)NC(=O)c1ccc2snnc2c1 ZINC000000813685 350130404 /nfs/dbraw/zinc/13/04/04/350130404.db2.gz VSFAWXWITSRYHT-UHFFFAOYSA-N 0 0 235.312 2.220 50 0 BEAARN Cc1nc2cc(C(=O)NCC3CC3)ccc2n1C ZINC000065608351 180075227 /nfs/dbraw/zinc/07/52/27/180075227.db2.gz BMHNCHLVFKBZKP-UHFFFAOYSA-N 0 0 243.310 2.022 50 0 BEAARN CC/C(C)=C\C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000390834547 350136214 /nfs/dbraw/zinc/13/62/14/350136214.db2.gz BSAOVNWCLYGRRQ-IEHMKBBKSA-N 0 0 225.332 2.417 50 0 BEAARN Cc1nc2ccc(C(=O)N3CCC3)cc2nc1C ZINC000024352504 180089493 /nfs/dbraw/zinc/08/94/93/180089493.db2.gz ZNZAAEDIDXNJSJ-UHFFFAOYSA-N 0 0 241.294 2.093 50 0 BEAARN Cc1nc2ccc(Cl)cn2c(=O)c1Cl ZINC000000290069 180090314 /nfs/dbraw/zinc/09/03/14/180090314.db2.gz QCEOJYIJFXRGBM-UHFFFAOYSA-N 0 0 229.066 2.310 50 0 BEAARN Cc1nc2ccc(C(C)C)cc2c(=O)[nH]1 ZINC000057771690 180091619 /nfs/dbraw/zinc/09/16/19/180091619.db2.gz QOCDKQGUWKAIAD-UHFFFAOYSA-N 0 0 202.257 2.355 50 0 BEAARN Cc1nc2cc(Br)c(C)nc2[nH]1 ZINC000005955959 180114626 /nfs/dbraw/zinc/11/46/26/180114626.db2.gz CMEWLDQFLSXJAG-UHFFFAOYSA-N 0 0 226.077 2.337 50 0 BEAARN Cc1nc2ccccc2c(C)c1CC(=O)N(C)C ZINC000021768288 180100848 /nfs/dbraw/zinc/10/08/48/180100848.db2.gz FVSAJXYTZQQZIN-UHFFFAOYSA-N 0 0 242.322 2.482 50 0 BEAARN Cc1nc2ccccc2n1-c1ncccc1N ZINC000012399115 180101600 /nfs/dbraw/zinc/10/16/00/180101600.db2.gz QNBVCFARGKDHDC-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN Cc1nc2ccccc2n1[C@@H]1CCC[C@H]1O ZINC000037489909 180102637 /nfs/dbraw/zinc/10/26/37/180102637.db2.gz BMHILEJFLIAHKZ-CHWSQXEVSA-N 0 0 216.284 2.431 50 0 BEAARN Cc1ncc(C(=O)N[C@@H]2CC[C@H](F)C2)s1 ZINC000336443265 180133500 /nfs/dbraw/zinc/13/35/00/180133500.db2.gz BGUBYWGFBZZGFJ-JGVFFNPUSA-N 0 0 228.292 2.072 50 0 BEAARN Cc1nc2ncnn2c(NC2CCCC2)c1C ZINC000001326154 180116065 /nfs/dbraw/zinc/11/60/65/180116065.db2.gz OAFIDAAYIMTZBC-UHFFFAOYSA-N 0 0 231.303 2.096 50 0 BEAARN CC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000041423007 191065415 /nfs/dbraw/zinc/06/54/15/191065415.db2.gz POOHNYKBHFZBAO-RNCFNFMXSA-N 0 0 237.274 2.134 50 0 BEAARN Cc1ncc(N)c(C)c1Br ZINC000003881101 180163455 /nfs/dbraw/zinc/16/34/55/180163455.db2.gz OXKUDSPWEKACSJ-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)C1CCC1 ZINC000033065700 350220977 /nfs/dbraw/zinc/22/09/77/350220977.db2.gz UECRZTJNSYKSQB-UHFFFAOYSA-N 0 0 244.294 2.310 50 0 BEAARN Cc1ncc2c(n1)CN(C(=O)OC(C)(C)C)C2 ZINC000044136884 180178532 /nfs/dbraw/zinc/17/85/32/180178532.db2.gz YXNOCWXSPOTSLB-UHFFFAOYSA-N 0 0 235.287 2.036 50 0 BEAARN CCCCC(=O)NCc1csc(C)n1 ZINC000015832252 168621987 /nfs/dbraw/zinc/62/19/87/168621987.db2.gz KKCGALLWDZCPFQ-UHFFFAOYSA-N 0 0 212.318 2.258 50 0 BEAARN CCN(Cc1cccs1)[C@@H]1C[C@@H](C)OC1=O ZINC000222033068 350229554 /nfs/dbraw/zinc/22/95/54/350229554.db2.gz SODIJYHNZQMAKB-MWLCHTKSSA-N 0 0 239.340 2.274 50 0 BEAARN Cc1nccn1-c1ncnc2c(F)cccc21 ZINC000041495727 180229980 /nfs/dbraw/zinc/22/99/80/180229980.db2.gz BHTKLZOPBZWUGW-UHFFFAOYSA-N 0 0 228.230 2.263 50 0 BEAARN [NH3+]CCc1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000725261077 538085772 /nfs/dbraw/zinc/08/57/72/538085772.db2.gz LFUFNCJVXWZBAE-UHFFFAOYSA-N 0 0 231.251 2.146 50 0 BEAARN Cc1nccn1Cc1ccc(Cl)nc1 ZINC000004002756 180268791 /nfs/dbraw/zinc/26/87/91/180268791.db2.gz RHQJHHQYHBXODM-UHFFFAOYSA-N 0 0 207.664 2.288 50 0 BEAARN Cc1ncnc(N(C)CC[C@H]2CCCCO2)c1C ZINC000091595758 180291318 /nfs/dbraw/zinc/29/13/18/180291318.db2.gz XOJWDNFSQDFGFQ-CYBMUJFWSA-N 0 0 249.358 2.489 50 0 BEAARN Cc1ncnc(NCc2cnn(C(C)C)c2)c1C ZINC000091562776 180291630 /nfs/dbraw/zinc/29/16/30/180291630.db2.gz SFIOQBKTENKNFN-UHFFFAOYSA-N 0 0 245.330 2.483 50 0 BEAARN Cc1nsc(NC(=O)c2ccc(F)cc2)n1 ZINC000027664585 350314177 /nfs/dbraw/zinc/31/41/77/350314177.db2.gz KAHPGEOUMFHGIS-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN Cc1cc2c(ncnc2-c2cnn(C)c2)s1 ZINC000426552089 191096767 /nfs/dbraw/zinc/09/67/67/191096767.db2.gz YEIAXWNGFYPGBP-UHFFFAOYSA-N 0 0 230.296 2.400 50 0 BEAARN COC(=O)Nc1cc(C)c(OC)c(C)c1 ZINC000001140658 350363680 /nfs/dbraw/zinc/36/36/80/350363680.db2.gz SLCYEBGKLMMQOB-UHFFFAOYSA-N 0 0 209.245 2.490 50 0 BEAARN CCN(CC(=O)OC)Cc1ccc(Cl)s1 ZINC000040473997 350366112 /nfs/dbraw/zinc/36/61/12/350366112.db2.gz PDNLRWIGLUCJMG-UHFFFAOYSA-N 0 0 247.747 2.396 50 0 BEAARN CC(C)C(=O)Nc1cccc2nsnc21 ZINC000000373628 350329870 /nfs/dbraw/zinc/32/98/70/350329870.db2.gz IRGPRNFQJUFQQM-UHFFFAOYSA-N 0 0 221.285 2.286 50 0 BEAARN O=C(c1ccncc1)N(Cc1ccco1)C1CC1 ZINC000040497008 350370613 /nfs/dbraw/zinc/37/06/13/350370613.db2.gz PKVTYXDELRKVNN-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CO ZINC000021953190 180328200 /nfs/dbraw/zinc/32/82/00/180328200.db2.gz KGJYFPMLDRHLEK-UHFFFAOYSA-N 0 0 240.665 2.466 50 0 BEAARN Cc1nn(C)c(C)c1CCC(=O)NC1CCCC1 ZINC000025320185 180336652 /nfs/dbraw/zinc/33/66/52/180336652.db2.gz GRWFDODUZRNGTM-UHFFFAOYSA-N 0 0 249.358 2.028 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000002782034 180334150 /nfs/dbraw/zinc/33/41/50/180334150.db2.gz RQRCWQHWRXZXDQ-CABZTGNLSA-N 0 0 249.358 2.345 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)NCC1CCCCC1 ZINC000032903807 180335070 /nfs/dbraw/zinc/33/50/70/180335070.db2.gz LXZDUXARLMDUOE-UHFFFAOYSA-N 0 0 249.358 2.347 50 0 BEAARN Cc1nn(C)c2c1ncnc2NC1CCCCC1 ZINC000032649601 180362117 /nfs/dbraw/zinc/36/21/17/180362117.db2.gz JZNCDGJMKICPLG-UHFFFAOYSA-N 0 0 245.330 2.416 50 0 BEAARN Cc1nn(C)c2c1nc(C(C)C)nc2NC1CC1 ZINC000032651062 180362259 /nfs/dbraw/zinc/36/22/59/180362259.db2.gz GMBFAJDODKVEDR-UHFFFAOYSA-N 0 0 245.330 2.369 50 0 BEAARN COC(=O)c1cnn(Cc2cccc(C)c2)c1 ZINC000012396482 350456815 /nfs/dbraw/zinc/45/68/15/350456815.db2.gz JYRLNOVSCFEKMI-UHFFFAOYSA-N 0 0 230.267 2.026 50 0 BEAARN C[C@H](CC(=O)N1CCCCC1)n1cccc1 ZINC000089894517 362958468 /nfs/dbraw/zinc/95/84/68/362958468.db2.gz SIPMUTIUARHAIC-GFCCVEGCSA-N 0 0 220.316 2.452 50 0 BEAARN Cc1nn2c(-c3ccccc3)csc2nc1=O ZINC000000279520 180393568 /nfs/dbraw/zinc/39/35/68/180393568.db2.gz GLHCMZKEHJNEAY-UHFFFAOYSA-N 0 0 243.291 2.126 50 0 BEAARN Cc1ccc(Br)c(NN)c1 ZINC000133763835 191106899 /nfs/dbraw/zinc/10/68/99/191106899.db2.gz NNLRVNYCKPTKEH-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN Cc1nn(COc2cccc(F)c2)c(C)c1N ZINC000002535099 180388839 /nfs/dbraw/zinc/38/88/39/180388839.db2.gz NAFDPURJMLDPDK-UHFFFAOYSA-N 0 0 235.262 2.258 50 0 BEAARN Cc1nnc(N2CCC(CF)CC2)s1 ZINC000336266345 180423348 /nfs/dbraw/zinc/42/33/48/180423348.db2.gz WZQKIKUSXJTPKV-UHFFFAOYSA-N 0 0 215.297 2.032 50 0 BEAARN Cc1nnc(NC(=O)C[C@H]2C=CCC2)s1 ZINC000014633464 180429936 /nfs/dbraw/zinc/42/99/36/180429936.db2.gz BJTQSFUABGKDBB-QMMMGPOBSA-N 0 0 223.301 2.141 50 0 BEAARN CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2C)n1 ZINC000076093325 362971058 /nfs/dbraw/zinc/97/10/58/362971058.db2.gz JPUURTLIXAVHNS-DTWKUNHWSA-N 0 0 220.272 2.075 50 0 BEAARN COc1ccc(COC(=O)c2ccoc2)cn1 ZINC000076091002 362970345 /nfs/dbraw/zinc/97/03/45/362970345.db2.gz MNOLLUDUWJEMID-UHFFFAOYSA-N 0 0 233.223 2.040 50 0 BEAARN Cc1nnc2n1N=C(c1ccc(F)cc1)CS2 ZINC000000093568 180450895 /nfs/dbraw/zinc/45/08/95/180450895.db2.gz NLRRVVSMTCYRPX-UHFFFAOYSA-N 0 0 248.286 2.084 50 0 BEAARN Cc1nnsc1C(=O)Nc1ccccc1F ZINC000000385512 180456459 /nfs/dbraw/zinc/45/64/59/180456459.db2.gz TVZSRIACTAYVQV-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN Cc1noc(C)c1C(=O)N1CCc2ccccc21 ZINC000001055388 180463248 /nfs/dbraw/zinc/46/32/48/180463248.db2.gz OOZACTSNSLGCED-UHFFFAOYSA-N 0 0 242.278 2.494 50 0 BEAARN CCn1c(SC2CC2)nnc1C1CC1 ZINC000041360430 350936465 /nfs/dbraw/zinc/93/64/65/350936465.db2.gz SQITVDXTBNYTEI-UHFFFAOYSA-N 0 0 209.318 2.430 50 0 BEAARN CCN1C(=S)N(c2ccccc2)C(=O)[C@H]1C ZINC000000972880 350961162 /nfs/dbraw/zinc/96/11/62/350961162.db2.gz RBYPFBJLQYCWJR-SECBINFHSA-N 0 0 234.324 2.029 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2cnc(C)cn2)o1 ZINC000039975806 351056082 /nfs/dbraw/zinc/05/60/82/351056082.db2.gz BWCRMCRJNFPOMD-SNVBAGLBSA-N 0 0 245.282 2.177 50 0 BEAARN CC[C@@H](C)NC(=O)CNc1cccc(C(C)=O)c1 ZINC000025600655 351159217 /nfs/dbraw/zinc/15/92/17/351159217.db2.gz OIGPIPOPHULPAW-SNVBAGLBSA-N 0 0 248.326 2.216 50 0 BEAARN CCc1ccc(C(=O)Nc2cc(C)nn2C)o1 ZINC000040087250 351324827 /nfs/dbraw/zinc/32/48/27/351324827.db2.gz DCXXGWZWCCXYPS-UHFFFAOYSA-N 0 0 233.271 2.136 50 0 BEAARN Clc1nc2ccncc2nc1Cl ZINC000059619236 180601780 /nfs/dbraw/zinc/60/17/80/180601780.db2.gz GZTHKSLJDQQAGP-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN Clc1ccccc1CNc1nc[nH]n1 ZINC000005019305 180595294 /nfs/dbraw/zinc/59/52/94/180595294.db2.gz QBNVXKDMCGYOOB-UHFFFAOYSA-N 0 0 208.652 2.070 50 0 BEAARN Clc1ncnc2nc(N3CCCC3)sc21 ZINC000057352291 180603473 /nfs/dbraw/zinc/60/34/73/180603473.db2.gz NDELWVBPUOVLQP-UHFFFAOYSA-N 0 0 240.719 2.340 50 0 BEAARN Cc1cc(C=C2SC(=O)NC2=O)cc(C)c1O ZINC000012485034 351597654 /nfs/dbraw/zinc/59/76/54/351597654.db2.gz ZOJCQUMIKFJCPG-UITAMQMPSA-N 0 0 249.291 2.333 50 0 BEAARN Cn1cc(C(=O)CSCCO)c2ccccc21 ZINC000010007818 180630907 /nfs/dbraw/zinc/63/09/07/180630907.db2.gz OBSXZGAJZQNCKK-UHFFFAOYSA-N 0 0 249.335 2.087 50 0 BEAARN Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000057960555 180636204 /nfs/dbraw/zinc/63/62/04/180636204.db2.gz YVNPFRDUUGSWRV-UHFFFAOYSA-N 0 0 211.570 2.058 50 0 BEAARN Cn1cc(NC(=S)NC2CCCCC2)cn1 ZINC000060433925 180660453 /nfs/dbraw/zinc/66/04/53/180660453.db2.gz UUFMTYKSVSOXGK-UHFFFAOYSA-N 0 0 238.360 2.039 50 0 BEAARN CN1C(=O)c2ccccc2NC12CCSCC2 ZINC000012537528 351998691 /nfs/dbraw/zinc/99/86/91/351998691.db2.gz NHOSAILSAKXYQI-UHFFFAOYSA-N 0 0 248.351 2.407 50 0 BEAARN Cc1cccc(NC(=O)c2ccc(N)cc2)n1 ZINC000000280992 187582768 /nfs/dbraw/zinc/58/27/68/187582768.db2.gz OJJAQNZSNFIQSA-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN Cc1nc(N)sc1C(=O)Nc1ccccc1 ZINC000000151971 187583104 /nfs/dbraw/zinc/58/31/04/187583104.db2.gz CACOMUHPQMDEJQ-UHFFFAOYSA-N 0 0 233.296 2.286 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cn1 ZINC000032787762 187593451 /nfs/dbraw/zinc/59/34/51/187593451.db2.gz IDDFUWPPEVJXIQ-ZWNOBZJWSA-N 0 0 247.342 2.436 50 0 BEAARN CC(C)c1cc(C(=O)N[C@H]2CCSC2)on1 ZINC000032541197 352137524 /nfs/dbraw/zinc/13/75/24/352137524.db2.gz BJPXKMGDLPOVCK-QMMMGPOBSA-N 0 0 240.328 2.033 50 0 BEAARN Cc1ccc2c(c1)N(Cc1cc[nH]n1)CC2 ZINC000097057589 187629194 /nfs/dbraw/zinc/62/91/94/187629194.db2.gz FTCWUBPGHGJEEZ-UHFFFAOYSA-N 0 0 213.284 2.281 50 0 BEAARN CC(=O)N[C@H]1CCOc2ccc(Cl)cc21 ZINC000049597413 187633348 /nfs/dbraw/zinc/63/33/48/187633348.db2.gz SQVANYZYWIIWRP-JTQLQIEISA-N 0 0 225.675 2.300 50 0 BEAARN CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004144053 187643742 /nfs/dbraw/zinc/64/37/42/187643742.db2.gz UYCVEFJGZBHHKT-UHFFFAOYSA-N 0 0 207.317 2.481 50 0 BEAARN C[C@H](Nc1ncccc1F)c1ccn(C)n1 ZINC000334724796 352369266 /nfs/dbraw/zinc/36/92/66/352369266.db2.gz MOVFPIXJOHXRBY-QMMMGPOBSA-N 0 0 220.251 2.127 50 0 BEAARN CN(CCOc1ccccc1F)C(=O)C1CC1 ZINC000044874059 352470476 /nfs/dbraw/zinc/47/04/76/352470476.db2.gz HYHMDIDHHZDHOM-UHFFFAOYSA-N 0 0 237.274 2.073 50 0 BEAARN CC[C@@H](SC)C(=O)Nc1cc(C)on1 ZINC000044973222 352524410 /nfs/dbraw/zinc/52/44/10/352524410.db2.gz WFGDCBPHGQVEIK-SSDOTTSWSA-N 0 0 214.290 2.063 50 0 BEAARN Cn1ccnc1S[C@H]1CCCCC1=O ZINC000035182518 180754672 /nfs/dbraw/zinc/75/46/72/180754672.db2.gz YMXPXLBABUWMLL-VIFPVBQESA-N 0 0 210.302 2.024 50 0 BEAARN CC(C)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000045143240 352566082 /nfs/dbraw/zinc/56/60/82/352566082.db2.gz XVOMFFAGRRGLDO-LBPRGKRZSA-N 0 0 218.300 2.401 50 0 BEAARN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1 ZINC000032013859 352735343 /nfs/dbraw/zinc/73/53/43/352735343.db2.gz GYCZQGPHLREAJS-LLVKDONJSA-N 0 0 221.300 2.372 50 0 BEAARN NC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000334200297 352793128 /nfs/dbraw/zinc/79/31/28/352793128.db2.gz QIHNRUXCXXMRTI-RNFRBKRXSA-N 0 0 224.226 2.023 50 0 BEAARN CC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005092207 187929008 /nfs/dbraw/zinc/92/90/08/187929008.db2.gz XEDYFFMSZLFWLT-UHFFFAOYSA-N 0 0 235.327 2.051 50 0 BEAARN CC(=O)n1nccc1-c1c(C)nc2ccccn21 ZINC000000123946 187923668 /nfs/dbraw/zinc/92/36/68/187923668.db2.gz PPBQIQODZBBJLC-UHFFFAOYSA-N 0 0 240.266 2.166 50 0 BEAARN CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000000099413 187923885 /nfs/dbraw/zinc/92/38/85/187923885.db2.gz KEKBLSZOFATKIT-UHFFFAOYSA-N 0 0 228.295 2.381 50 0 BEAARN CC(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000000449411 187925399 /nfs/dbraw/zinc/92/53/99/187925399.db2.gz XTXQJFCCLBPLPU-UHFFFAOYSA-N 0 0 232.235 2.335 50 0 BEAARN CCCc1c(C)nc(N)nc1OCC(F)(F)F ZINC000001237278 353029081 /nfs/dbraw/zinc/02/90/81/353029081.db2.gz ODGBRFAHLLZIJL-UHFFFAOYSA-N 0 0 249.236 2.261 50 0 BEAARN CC1=CS(=O)(=O)c2ccc(Cl)cc2O1 ZINC000067340784 187958936 /nfs/dbraw/zinc/95/89/36/187958936.db2.gz NNDSQDAAHCDHCX-UHFFFAOYSA-N 0 0 230.672 2.367 50 0 BEAARN CC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000045413647 187979813 /nfs/dbraw/zinc/97/98/13/187979813.db2.gz VUEMSSPMZKZGEY-UHFFFAOYSA-N 0 0 207.248 2.337 50 0 BEAARN CC(=O)O[C@@H]1CSc2nc3ccccc3n2C1 ZINC000000275130 187985153 /nfs/dbraw/zinc/98/51/53/187985153.db2.gz YIJMFRQLECOZIK-VIFPVBQESA-N 0 0 248.307 2.074 50 0 BEAARN CC(=O)Cc1ccc2cccc(O)c2n1 ZINC000000235894 187987047 /nfs/dbraw/zinc/98/70/47/187987047.db2.gz HUSTXEDBVIJIKS-UHFFFAOYSA-N 0 0 201.225 2.072 50 0 BEAARN CCCCCN1CC(=O)N[C@@H]1c1ccsc1 ZINC000096500003 168695362 /nfs/dbraw/zinc/69/53/62/168695362.db2.gz VCEXSDWFXZYNGR-LBPRGKRZSA-N 0 0 238.356 2.369 50 0 BEAARN CC(=O)Nc1ccc(NCCCO)c(Cl)c1 ZINC000095411984 188016136 /nfs/dbraw/zinc/01/61/36/188016136.db2.gz NGPULNJVIRYYTD-UHFFFAOYSA-N 0 0 242.706 2.093 50 0 BEAARN CC(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000241644405 188018956 /nfs/dbraw/zinc/01/89/56/188018956.db2.gz PQLXPJRYAFUWTP-GFCCVEGCSA-N 0 0 243.228 2.382 50 0 BEAARN CC(=O)Nc1cccc(NC(C)(C)CCO)c1 ZINC000257354959 188020200 /nfs/dbraw/zinc/02/02/00/188020200.db2.gz GUXQOQQIDNBDBA-UHFFFAOYSA-N 0 0 236.315 2.218 50 0 BEAARN Cc1ccsc1CNC(=O)[C@H](C)n1cccn1 ZINC000045536675 353134487 /nfs/dbraw/zinc/13/44/87/353134487.db2.gz CCPVDMOSTXWBJG-JTQLQIEISA-N 0 0 249.339 2.130 50 0 BEAARN Cc1cccc(C[C@@H](CO)Nc2ccccn2)c1 ZINC000276291773 188028608 /nfs/dbraw/zinc/02/86/08/188028608.db2.gz JXMBEDOCKMZLBW-AWEZNQCLSA-N 0 0 242.322 2.406 50 0 BEAARN Cc1cncc(NC(=O)N2CCCC2)c1 ZINC000079818494 538111164 /nfs/dbraw/zinc/11/11/64/538111164.db2.gz WHTUNTZZTGVRGI-UHFFFAOYSA-N 0 0 205.261 2.018 50 0 BEAARN FC(F)Cn1ccc(N[C@@H]2CCCSC2)n1 ZINC000097371019 180906110 /nfs/dbraw/zinc/90/61/10/180906110.db2.gz LWNSPZIPMJWNRK-MRVPVSSYSA-N 0 0 247.314 2.456 50 0 BEAARN O=C(c1ccccc1)N1Cc2ccccc2CN1 ZINC000032169821 353270604 /nfs/dbraw/zinc/27/06/04/353270604.db2.gz YPZQYUWFUQZJLP-UHFFFAOYSA-N 0 0 238.290 2.347 50 0 BEAARN FC1(F)CN(c2ncccc2Br)C1 ZINC000169725465 180919235 /nfs/dbraw/zinc/91/92/35/180919235.db2.gz ALTCUTXTGJKCMY-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN C(CC1SCCCS1)C1OCCO1 ZINC000032168783 188233996 /nfs/dbraw/zinc/23/39/96/188233996.db2.gz FNUIPVRBHUAXPA-UHFFFAOYSA-N 0 0 220.359 2.336 50 0 BEAARN COC(=O)c1ccc(OC(C)C)c(C(C)=O)c1 ZINC000085390020 188270262 /nfs/dbraw/zinc/27/02/62/188270262.db2.gz ZOGPYKAGBMBZAW-UHFFFAOYSA-N 0 0 236.267 2.463 50 0 BEAARN CC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000000185322 188272234 /nfs/dbraw/zinc/27/22/34/188272234.db2.gz VJAXMKZOQDXQPI-SNVBAGLBSA-N 0 0 232.201 2.416 50 0 BEAARN CC(C)(C)[C@]1(C)O[C@](O)(C(F)(F)F)CC1=O ZINC000000078834 188272258 /nfs/dbraw/zinc/27/22/58/188272258.db2.gz QSVUWDXQLMDNME-BDAKNGLRSA-N 0 0 240.221 2.032 50 0 BEAARN CC(C)(C)c1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000000170337 188272277 /nfs/dbraw/zinc/27/22/77/188272277.db2.gz QVTSIUCKEVJNGO-LLVKDONJSA-N 0 0 221.300 2.459 50 0 BEAARN CC(=O)N1CCc2cc(Br)ccc21 ZINC000000124999 188272408 /nfs/dbraw/zinc/27/24/08/188272408.db2.gz WQKQAIXOTCPWFE-UHFFFAOYSA-N 0 0 240.100 2.358 50 0 BEAARN COc1ccc([C@H](O)Cc2cccnc2)cc1 ZINC000000198543 188272462 /nfs/dbraw/zinc/27/24/62/188272462.db2.gz CZSPHAPWHCFCGT-CQSZACIVSA-N 0 0 229.279 2.366 50 0 BEAARN CC(C)(C)c1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000000170339 188272466 /nfs/dbraw/zinc/27/24/66/188272466.db2.gz QVTSIUCKEVJNGO-NSHDSACASA-N 0 0 221.300 2.459 50 0 BEAARN Cc1nc(N)nc(CSc2ccccc2)n1 ZINC000000126700 188272800 /nfs/dbraw/zinc/27/28/00/188272800.db2.gz CLXUHVLTSDDIKQ-UHFFFAOYSA-N 0 0 232.312 2.055 50 0 BEAARN CC(C)(C)c1ccc(C(=O)NC(C)(C)CO)cc1 ZINC000000609844 188272965 /nfs/dbraw/zinc/27/29/65/188272965.db2.gz OFDOPFXVTJZHLX-UHFFFAOYSA-N 0 0 249.354 2.485 50 0 BEAARN CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1 ZINC000000395845 188272986 /nfs/dbraw/zinc/27/29/86/188272986.db2.gz DBHMCYWQGLNEQR-UHFFFAOYSA-N 0 0 242.706 2.232 50 0 BEAARN CC(=O)c1ccc(Br)cn1 ZINC000002541710 188274663 /nfs/dbraw/zinc/27/46/63/188274663.db2.gz IDZRAUUUHXQGKC-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN NC(=S)c1ccc(OC(F)(F)F)cc1 ZINC000002170121 188274865 /nfs/dbraw/zinc/27/48/65/188274865.db2.gz GHQSKHMIUWHKHO-UHFFFAOYSA-N 0 0 221.203 2.219 50 0 BEAARN Nc1ccc(SC(F)(F)F)cc1N ZINC000002540456 188275117 /nfs/dbraw/zinc/27/51/17/188275117.db2.gz XIZSGNRMTFQNEK-UHFFFAOYSA-N 0 0 208.208 2.463 50 0 BEAARN CC(=O)COC(=O)CCc1c[nH]c2ccccc12 ZINC000004286768 188276181 /nfs/dbraw/zinc/27/61/81/188276181.db2.gz HWAIKHMMEYVWMF-UHFFFAOYSA-N 0 0 245.278 2.233 50 0 BEAARN Cc1cc(N)n(Cc2ccc(Cl)cc2)n1 ZINC000004487629 188277049 /nfs/dbraw/zinc/27/70/49/188277049.db2.gz FPZRXCCZKYDEIB-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN CCOc1ccccc1-c1cc(N)n[nH]1 ZINC000005525856 188277751 /nfs/dbraw/zinc/27/77/51/188277751.db2.gz GLPUVPKXMFGLJP-UHFFFAOYSA-N 0 0 203.245 2.058 50 0 BEAARN CC1(C)C(=O)C(C)(C)C12N=NC(C)(C)[S@]2=O ZINC000006263392 188278205 /nfs/dbraw/zinc/27/82/05/188278205.db2.gz VXPWBFXELIXDQW-INIZCTEOSA-N 0 0 242.344 2.268 50 0 BEAARN CC(=O)Nc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000012404726 188279397 /nfs/dbraw/zinc/27/93/97/188279397.db2.gz YOKNTTQUQKQGKE-UHFFFAOYSA-N 0 0 219.219 2.174 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000025768054 188282648 /nfs/dbraw/zinc/28/26/48/188282648.db2.gz ZTPUEFLZJJXUPA-RQJHMYQMSA-N 0 0 222.313 2.226 50 0 BEAARN Cc1ccc(NC(=O)[C@H](C)n2cncn2)cc1C ZINC000027579365 188283252 /nfs/dbraw/zinc/28/32/52/188283252.db2.gz RSUAPWZYVXHBOE-NSHDSACASA-N 0 0 244.298 2.095 50 0 BEAARN COc1cccc(SCC(=O)NC2CC2)c1 ZINC000027661024 188283287 /nfs/dbraw/zinc/28/32/87/188283287.db2.gz MZLOPCBUTYHAAX-UHFFFAOYSA-N 0 0 237.324 2.066 50 0 BEAARN CC(C)(C)OC(=O)N1CCc2ncccc2C1 ZINC000034584060 188284573 /nfs/dbraw/zinc/28/45/73/188284573.db2.gz QOYGREZOOLKXJB-UHFFFAOYSA-N 0 0 234.299 2.375 50 0 BEAARN Cn1ccc(C(=O)COc2cccc(F)c2)c1 ZINC000035184067 188285502 /nfs/dbraw/zinc/28/55/02/188285502.db2.gz SSLMTWBBVYLCRT-UHFFFAOYSA-N 0 0 233.242 2.426 50 0 BEAARN Cc1[nH]ccc1C(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000098018823 538114862 /nfs/dbraw/zinc/11/48/62/538114862.db2.gz UIVZHBPMADHSCH-VXGBXAGGSA-N 0 0 230.311 2.361 50 0 BEAARN Brc1nccn1[C@H]1CCCCO1 ZINC000038538296 188291250 /nfs/dbraw/zinc/29/12/50/188291250.db2.gz YYBSLCMICUQPIA-SSDOTTSWSA-N 0 0 231.093 2.345 50 0 BEAARN COc1ncc(C)cc1I ZINC000039961279 188291385 /nfs/dbraw/zinc/29/13/85/188291385.db2.gz KPEWLACJKQHYTH-UHFFFAOYSA-N 0 0 249.051 2.003 50 0 BEAARN CC(C)[C@H](C)NC(=O)Nc1nccs1 ZINC000042737865 188294450 /nfs/dbraw/zinc/29/44/50/188294450.db2.gz HRZSJBUKCUSLNU-ZETCQYMHSA-N 0 0 213.306 2.309 50 0 BEAARN CCCc1cc(C(=O)N(C)C2CCCC2)[nH]n1 ZINC000044228109 188296378 /nfs/dbraw/zinc/29/63/78/188296378.db2.gz SQYUAPPBSZUFLY-UHFFFAOYSA-N 0 0 235.331 2.377 50 0 BEAARN COc1ccc([C@@H](O)[C@H](C)n2cccn2)cc1 ZINC000044182793 188296644 /nfs/dbraw/zinc/29/66/44/188296644.db2.gz GDISAVSZXXPIDU-GWCFXTLKSA-N 0 0 232.283 2.186 50 0 BEAARN CC(C)(C)N1C[C@H]1C(=O)OCc1ccccc1 ZINC000055554723 188301541 /nfs/dbraw/zinc/30/15/41/188301541.db2.gz IFSVNDPLBKXYIC-SFVWDYPZSA-N 0 0 233.311 2.213 50 0 BEAARN CCOc1cncc(C(=O)N2CCCC[C@H]2C)c1 ZINC000064552357 188303892 /nfs/dbraw/zinc/30/38/92/188303892.db2.gz PCTUPJIPDDSOHN-LLVKDONJSA-N 0 0 248.326 2.495 50 0 BEAARN CC(C)N(C(=O)c1cccnc1)C1CC1 ZINC000069417453 188304599 /nfs/dbraw/zinc/30/45/99/188304599.db2.gz UWEYATNEDVDFPB-UHFFFAOYSA-N 0 0 204.273 2.095 50 0 BEAARN CCC/C=C/c1nnnn1-c1ccccc1 ZINC000067446675 188304997 /nfs/dbraw/zinc/30/49/97/188304997.db2.gz KXPUYTNZBIILAI-BJMVGYQFSA-N 0 0 214.272 2.476 50 0 BEAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000068003590 188305204 /nfs/dbraw/zinc/30/52/04/188305204.db2.gz DFALZQBOIYMCKU-ZDUSSCGKSA-N 0 0 243.310 2.257 50 0 BEAARN CCCCc1n[nH]c(=O)n1Cc1cccs1 ZINC000067490721 188305336 /nfs/dbraw/zinc/30/53/36/188305336.db2.gz ZHWVIQYDWIIEMF-UHFFFAOYSA-N 0 0 237.328 2.024 50 0 BEAARN CC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000041423003 188323213 /nfs/dbraw/zinc/32/32/13/188323213.db2.gz POOHNYKBHFZBAO-NOZJJQNGSA-N 0 0 237.274 2.134 50 0 BEAARN Fc1c[nH]c2nccc(Br)c12 ZINC000095910900 180947016 /nfs/dbraw/zinc/94/70/16/180947016.db2.gz QMCXMROKMHVDRC-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN CC(=O)Nc1cc2c(C)cc(=O)oc2cc1C ZINC000000525932 188332113 /nfs/dbraw/zinc/33/21/13/188332113.db2.gz WLDILUCRJMIQSK-UHFFFAOYSA-N 0 0 231.251 2.368 50 0 biogenic BEAARN Cc1oc2ccccc2c(=O)c1[N+](=O)[O-] ZINC000000122457 188333831 /nfs/dbraw/zinc/33/38/31/188333831.db2.gz DSMFEZHEMZRAKA-UHFFFAOYSA-N 0 0 205.169 2.096 50 0 BEAARN CC1(C)N=C(c2ccccn2)C(C)(C)N1O ZINC000000437176 188334927 /nfs/dbraw/zinc/33/49/27/188334927.db2.gz JDMONITXIIENLZ-UHFFFAOYSA-N 0 0 219.288 2.090 50 0 BEAARN Cc1cc2nc(C)c3c(n2n1)CCCC3 ZINC000001390387 188335062 /nfs/dbraw/zinc/33/50/62/188335062.db2.gz JZRXTYNNCIGXPH-UHFFFAOYSA-N 0 0 201.273 2.225 50 0 BEAARN Cc1cc(O)cc(Br)c1O ZINC000038339039 188337121 /nfs/dbraw/zinc/33/71/21/188337121.db2.gz KMACURGSVMIRPL-UHFFFAOYSA-N 0 0 203.035 2.169 50 0 BEAARN CC(=O)Nc1nc(C)c(-c2ccccn2)s1 ZINC000021195475 188356043 /nfs/dbraw/zinc/35/60/43/188356043.db2.gz DJNSLEWPEAJWOY-UHFFFAOYSA-N 0 0 233.296 2.472 50 0 BEAARN CC(C)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000012865272 188341940 /nfs/dbraw/zinc/34/19/40/188341940.db2.gz NLKVEGNEEKPXKH-NSHDSACASA-N 0 0 221.325 2.228 50 0 BEAARN Fc1cc(Cl)ccc1Cn1cncn1 ZINC000163551588 180949643 /nfs/dbraw/zinc/94/96/43/180949643.db2.gz SSHMMQMNSKVHSE-UHFFFAOYSA-N 0 0 211.627 2.119 50 0 BEAARN CCCc1csc(CCN2CCOC2=O)n1 ZINC000096415074 188364700 /nfs/dbraw/zinc/36/47/00/188364700.db2.gz OEDQCFPHBANRMH-UHFFFAOYSA-N 0 0 240.328 2.090 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2=O ZINC000084310806 188396787 /nfs/dbraw/zinc/39/67/87/188396787.db2.gz DMVQSZMTYAHSEC-AOOOYVTPSA-N 0 0 239.315 2.223 50 0 BEAARN CCCO[C@@H]1CCC[N@@H+]([C@@H](CC)C(=O)[O-])CC1 ZINC000191417753 353469751 /nfs/dbraw/zinc/46/97/51/353469751.db2.gz WDUTZPAJISAQHM-NEPJUHHUSA-N 0 0 243.347 2.131 50 0 BEAARN Fc1ccc(NCc2cncnc2)cc1 ZINC000054766965 180978445 /nfs/dbraw/zinc/97/84/45/180978445.db2.gz OULCBQMMLNOIPM-UHFFFAOYSA-N 0 0 203.220 2.228 50 0 BEAARN CCN1C(=O)O[C@@](C)(Cc2ccccc2)[C@]1(C)O ZINC000001421330 353694358 /nfs/dbraw/zinc/69/43/58/353694358.db2.gz FONYFFBMSQCTHB-KBPBESRZSA-N 0 0 249.310 2.168 50 0 BEAARN Fc1cccc2c(NC3CC3)ncnc12 ZINC000041471121 181004022 /nfs/dbraw/zinc/00/40/22/181004022.db2.gz MIXDXWXDOWSYDO-UHFFFAOYSA-N 0 0 203.220 2.343 50 0 BEAARN Cc1ccc(CN2CCOC[C@@H]2C)cc1 ZINC000046774116 353829628 /nfs/dbraw/zinc/82/96/28/353829628.db2.gz UXOJAKGZFGFVPC-LBPRGKRZSA-N 0 0 205.301 2.216 50 0 BEAARN Fc1c[nH]cc2c(Br)cnc1-2 ZINC000044700052 181021280 /nfs/dbraw/zinc/02/12/80/181021280.db2.gz LAPYNKHCPHWRGU-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN O=C(Nc1cccnc1)[C@@H]1CCC(F)(F)C1 ZINC000334536253 353922701 /nfs/dbraw/zinc/92/27/01/353922701.db2.gz SUBLWFQXOMFTFM-MRVPVSSYSA-N 0 0 226.226 2.456 50 0 BEAARN CC(C)(C)[C@@]1(O)OC(=O)c2ccccc21 ZINC000000396950 363292842 /nfs/dbraw/zinc/29/28/42/363292842.db2.gz CXLPVLPOUXZWRB-LBPRGKRZSA-N 0 0 206.241 2.048 50 0 BEAARN Cc1c[nH]cc1C(=O)N[C@@H](C)C(C)(F)F ZINC000334687221 354433669 /nfs/dbraw/zinc/43/36/69/354433669.db2.gz SRWZEWMZFCDDNQ-ZETCQYMHSA-N 0 0 216.231 2.097 50 0 BEAARN Cc1ncsc1NC(=O)[C@H]1CC1(F)F ZINC000334651332 354443643 /nfs/dbraw/zinc/44/36/43/354443643.db2.gz LDHCKXIAVSVIFL-RXMQYKEDSA-N 0 0 218.228 2.045 50 0 BEAARN CCOc1ncccc1C(=O)N1CCCC[C@H]1C ZINC000032666377 354492945 /nfs/dbraw/zinc/49/29/45/354492945.db2.gz VWMRHMLEURBXGZ-LLVKDONJSA-N 0 0 248.326 2.495 50 0 BEAARN Cc1cc(C(=O)N[C@H]2CCc3ccccc32)on1 ZINC000032850830 354555426 /nfs/dbraw/zinc/55/54/26/354555426.db2.gz ZAXIFDPDMALYKB-LBPRGKRZSA-N 0 0 242.278 2.400 50 0 BEAARN O=C(C1=CCC1)N1Cc2cccc(F)c2C1 ZINC000334806671 354563333 /nfs/dbraw/zinc/56/33/33/354563333.db2.gz XTOMATKGRBDFAO-UHFFFAOYSA-N 0 0 217.243 2.388 50 0 BEAARN C[C@@H](N(C)C(=O)[C@@H]1CCCO1)C(C)(C)C ZINC000032788073 354580875 /nfs/dbraw/zinc/58/08/75/354580875.db2.gz UOAHSSYILILMGF-ZJUUUORDSA-N 0 0 213.321 2.058 50 0 BEAARN Cn1cccc1C(=O)N1CCc2ccccc21 ZINC000040458910 358491615 /nfs/dbraw/zinc/49/16/15/358491615.db2.gz YQYZVRMSCZFFER-UHFFFAOYSA-N 0 0 226.279 2.228 50 0 BEAARN Cc1ccncc1NC(=O)[C@]1(C)CC1(F)F ZINC000335171593 354936033 /nfs/dbraw/zinc/93/60/33/354936033.db2.gz VTYUHQNKIHSIID-JTQLQIEISA-N 0 0 226.226 2.374 50 0 BEAARN O=C(C[C@H]1C=CCCC1)N1CC(CF)C1 ZINC000335215170 355053179 /nfs/dbraw/zinc/05/31/79/355053179.db2.gz IZOOLVPQFFKHKS-JTQLQIEISA-N 0 0 211.280 2.161 50 0 BEAARN CC[C@@H](C)NC(=O)Cn1nc(C)c2ccccc21 ZINC000015671554 355328683 /nfs/dbraw/zinc/32/86/83/355328683.db2.gz WUTWQLKVXVNTJD-SNVBAGLBSA-N 0 0 245.326 2.259 50 0 BEAARN COc1cc(C(F)(F)F)nc(OC)c1OC ZINC000047218610 355367643 /nfs/dbraw/zinc/36/76/43/355367643.db2.gz JSKJTIPQHPCLRX-UHFFFAOYSA-N 0 0 237.177 2.126 50 0 BEAARN Cc1cc(-c2ccc(F)cc2)nc(N)n1 ZINC000032516099 355555226 /nfs/dbraw/zinc/55/52/26/355555226.db2.gz LVFUVUOGVOZJOY-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN N=C1NC(=O)[C@H](Cc2ccc(Cl)cc2)S1 ZINC000018209438 181208226 /nfs/dbraw/zinc/20/82/26/181208226.db2.gz DTIQKHFEEDYBQY-QMMMGPOBSA-N 0 0 240.715 2.049 50 0 BEAARN Cc1ccsc1CN(C)C(=O)[C@H]1CCCO1 ZINC000047532017 355760673 /nfs/dbraw/zinc/76/06/73/355760673.db2.gz CJRBCSVVXXKTHU-SNVBAGLBSA-N 0 0 239.340 2.194 50 0 BEAARN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]12 ZINC000012410572 355801201 /nfs/dbraw/zinc/80/12/01/355801201.db2.gz ZCJHLBHJGLCVRU-VLUIMUIKSA-N 0 0 240.302 2.015 50 0 BEAARN NC(=O)/C=C/c1ccc(Br)cc1F ZINC000044259415 181211667 /nfs/dbraw/zinc/21/16/67/181211667.db2.gz SCDLSFGVHUZTAE-DUXPYHPUSA-N 0 0 244.063 2.087 50 0 BEAARN Cc1cccc(OC[C@H]2CCCOC2)n1 ZINC000336037014 134060291 /nfs/dbraw/zinc/06/02/91/134060291.db2.gz LSYKTESFNOEUPQ-NSHDSACASA-N 0 0 207.273 2.195 50 0 BEAARN CCOc1c(=O)c(=O)c1Nc1ccc(C)cc1C ZINC000015768203 355843153 /nfs/dbraw/zinc/84/31/53/355843153.db2.gz XCDHPEMPAVCILF-UHFFFAOYSA-N 0 0 245.278 2.042 50 0 BEAARN CC(=O)Nc1ccc(SC(C)=O)cc1 ZINC000000394898 191942771 /nfs/dbraw/zinc/94/27/71/191942771.db2.gz DLMPBGQWSCETHR-UHFFFAOYSA-N 0 0 209.270 2.284 50 0 BEAARN NC(=O)CSC12CC3CC(CC(C3)C1)C2 ZINC000000186852 181239732 /nfs/dbraw/zinc/23/97/32/181239732.db2.gz MJRXSSKFERCIGJ-UHFFFAOYSA-N 0 0 225.357 2.174 50 0 BEAARN NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 ZINC000005498088 181239812 /nfs/dbraw/zinc/23/98/12/181239812.db2.gz SQGOBVXQJXJQIW-UHFFFAOYSA-N 0 0 240.262 2.185 50 0 BEAARN NC(=O)CSc1ccccc1Br ZINC000016245435 181239897 /nfs/dbraw/zinc/23/98/97/181239897.db2.gz GBWLMAGRPKUUHM-UHFFFAOYSA-N 0 0 246.129 2.027 50 0 BEAARN NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000057498902 181227620 /nfs/dbraw/zinc/22/76/20/181227620.db2.gz MXJSTEGEEJRPOJ-UHFFFAOYSA-N 0 0 218.083 2.411 50 0 BEAARN O=C(NCc1ccc[nH]1)[C@H]1CCC(F)(F)C1 ZINC000335915912 356155768 /nfs/dbraw/zinc/15/57/68/356155768.db2.gz NJDWHMLNFHRGIT-QMMMGPOBSA-N 0 0 228.242 2.066 50 0 BEAARN NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000397310 181262809 /nfs/dbraw/zinc/26/28/09/181262809.db2.gz CYESCLHCWJKRKM-UHFFFAOYSA-N 0 0 205.044 2.484 50 0 in-vitro BEAARN NC(=O)Nc1ccc(Br)c(F)c1 ZINC000072296498 181263101 /nfs/dbraw/zinc/26/31/01/181263101.db2.gz QTGFWBSBTWFYQR-UHFFFAOYSA-N 0 0 233.040 2.079 50 0 BEAARN NC(=O)Nc1cc(Cl)cc(F)c1F ZINC000306345376 181261504 /nfs/dbraw/zinc/26/15/04/181261504.db2.gz PJLAFNXPSMWGFW-UHFFFAOYSA-N 0 0 206.579 2.109 50 0 BEAARN O=S1(=O)Cc2c1ccc1ccccc21 ZINC000032179808 356367948 /nfs/dbraw/zinc/36/79/48/356367948.db2.gz VTUOSFZGQWDRMB-UHFFFAOYSA-N 0 0 204.250 2.127 50 0 BEAARN COc1ccc(OC)c(NC(=O)NC(C)C)c1 ZINC000000397217 356358273 /nfs/dbraw/zinc/35/82/73/356358273.db2.gz NOBQJVYSKPNVBP-UHFFFAOYSA-N 0 0 238.287 2.234 50 0 BEAARN Fc1ccc(OC[C@H]2CO2)c(Cl)c1 ZINC000037902190 356368963 /nfs/dbraw/zinc/36/89/63/356368963.db2.gz MGYPWPGOKWPZJM-SSDOTTSWSA-N 0 0 202.612 2.257 50 0 BEAARN COC(=O)[C@@H]1CC[C@](C)(c2ccccc2)C[C@H]1O ZINC000043214843 356372192 /nfs/dbraw/zinc/37/21/92/356372192.db2.gz VDEOOOAGQZSXHA-NFAWXSAZSA-N 0 0 248.322 2.278 50 0 BEAARN Nc1cc(Cc2c(F)cccc2Cl)[nH]n1 ZINC000041246260 356370598 /nfs/dbraw/zinc/37/05/98/356370598.db2.gz OVICBHCVQGXTBX-UHFFFAOYSA-N 0 0 225.654 2.375 50 0 BEAARN NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000089873177 181284610 /nfs/dbraw/zinc/28/46/10/181284610.db2.gz ZPEWUQAIHOXBNF-STQMWFEESA-N 0 0 211.264 2.429 50 0 BEAARN C[C@H]1CN([C@H]2C[C@@H](C)OC2=O)[C@@H]1c1ccccc1 ZINC000252517959 363539507 /nfs/dbraw/zinc/53/95/07/363539507.db2.gz VZPKTQTXIBKXIT-XCCSTKFXSA-N 0 0 245.322 2.383 50 0 BEAARN NC(=O)c1cc(Cl)c(Cl)nc1Cl ZINC000079058050 181288193 /nfs/dbraw/zinc/28/81/93/181288193.db2.gz DBAVDGXPOXFHRC-UHFFFAOYSA-N 0 0 225.462 2.141 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000084686969 538534528 /nfs/dbraw/zinc/53/45/28/538534528.db2.gz ZUUWTACKWLYTRM-WHFBIAKZSA-N 0 0 233.193 2.023 50 0 BEAARN COC(=O)[C@@H]1O[C@]1(C)c1cccc(Cl)c1 ZINC000085657578 538543873 /nfs/dbraw/zinc/54/38/73/538543873.db2.gz DRJTWSSWHQHRLH-GXSJLCMTSA-N 0 0 226.659 2.127 50 0 BEAARN COc1cc(/C=C2\C=CC(=O)O2)cc(OC)c1 ZINC000006180692 356708696 /nfs/dbraw/zinc/70/86/96/356708696.db2.gz NKQAEYUHMBCJGR-BJMVGYQFSA-N 0 0 232.235 2.158 50 0 BEAARN COc1ccnc(C(=O)N2CCCCCCC2)c1 ZINC000089484055 538580616 /nfs/dbraw/zinc/58/06/16/538580616.db2.gz YSKGBGRHMVKXRF-UHFFFAOYSA-N 0 0 248.326 2.497 50 0 BEAARN Cc1ccc([C@H]2NC(=O)c3cccnc3N2)s1 ZINC000089656489 538582111 /nfs/dbraw/zinc/58/21/11/538582111.db2.gz KYXMCJMXGQLMJW-LLVKDONJSA-N 0 0 245.307 2.306 50 0 BEAARN Cc1cccc(CN(C)c2ccnn2C)c1 ZINC000089669468 538582315 /nfs/dbraw/zinc/58/23/15/538582315.db2.gz XABNXSHDWCNZHK-UHFFFAOYSA-N 0 0 215.300 2.365 50 0 BEAARN O=C(c1ccco1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089794337 538583172 /nfs/dbraw/zinc/58/31/72/538583172.db2.gz WUAIMILCHGLLGK-PHIMTYICSA-N 0 0 217.268 2.318 50 0 BEAARN COC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000006182887 356746164 /nfs/dbraw/zinc/74/61/64/356746164.db2.gz BTQPMYMMANTZGP-ZETCQYMHSA-N 0 0 214.648 2.280 50 0 BEAARN Cn1nccc1NC(=O)N1CCCCCCC1 ZINC000095942246 538612227 /nfs/dbraw/zinc/61/22/27/538612227.db2.gz ZEYPABIJPHYRJB-UHFFFAOYSA-N 0 0 236.319 2.218 50 0 BEAARN Cc1cnc(C(C)(C)[NH2+][C@H]2CCO[C@@H]2C)s1 ZINC000095991505 538612351 /nfs/dbraw/zinc/61/23/51/538612351.db2.gz NGEQHHPEIGRNDF-ZJUUUORDSA-N 0 0 240.372 2.454 50 0 BEAARN Brc1cnn(-c2cscn2)c1 ZINC000096135355 538613774 /nfs/dbraw/zinc/61/37/74/538613774.db2.gz NBVIMCUBPQPBSA-UHFFFAOYSA-N 0 0 230.090 2.091 50 0 BEAARN Oc1ccc(/C=C/c2ccnnc2)cc1F ZINC000095974994 538614546 /nfs/dbraw/zinc/61/45/46/538614546.db2.gz QMRXIWWNDYEDKD-OWOJBTEDSA-N 0 0 216.215 2.492 50 0 BEAARN NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000002382124 181288932 /nfs/dbraw/zinc/28/89/32/181288932.db2.gz IRUCBTSYBQHPLT-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN CCCc1nnc2n1N[C@H](c1ccco1)S2 ZINC000075279709 356938801 /nfs/dbraw/zinc/93/88/01/356938801.db2.gz NZCBMKXIOYGPLE-VIFPVBQESA-N 0 0 236.300 2.172 50 0 BEAARN NC(=O)c1cc(F)c(F)cc1C(F)(F)F ZINC000002382150 181289902 /nfs/dbraw/zinc/28/99/02/181289902.db2.gz NTEWBCFPFIDECK-UHFFFAOYSA-N 0 0 225.116 2.083 50 0 BEAARN C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012931336 538777744 /nfs/dbraw/zinc/77/77/44/538777744.db2.gz KAIOSRQHKAAEBN-SKDRFNHKSA-N 0 0 237.274 2.182 50 0 BEAARN CC(=O)c1cc(C(=O)Nc2ccccc2)n(C)c1 ZINC000012935223 538777912 /nfs/dbraw/zinc/77/79/12/538777912.db2.gz BLGHBUMQYQFQLF-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1C ZINC000013024123 538785430 /nfs/dbraw/zinc/78/54/30/538785430.db2.gz SCCZZHWSMQEVST-DTWKUNHWSA-N 0 0 235.331 2.312 50 0 BEAARN Cc1cnc(C(=O)N(C)c2ccccc2)cn1 ZINC000024043682 357158512 /nfs/dbraw/zinc/15/85/12/357158512.db2.gz DJFDBFMDVMMQOM-UHFFFAOYSA-N 0 0 227.267 2.062 50 0 BEAARN O=C(Nc1cc(F)ccn1)OCC(F)(F)F ZINC000585138769 538796652 /nfs/dbraw/zinc/79/66/52/538796652.db2.gz WNLRMNWWMKWRJF-UHFFFAOYSA-N 0 0 238.140 2.332 50 0 BEAARN C[C@H](NC(=O)CC(C)(C)C)c1cnn(C)c1 ZINC000027919792 357186043 /nfs/dbraw/zinc/18/60/43/357186043.db2.gz AEXDJYZSZKSYNW-VIFPVBQESA-N 0 0 223.320 2.034 50 0 BEAARN CON(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC000067477184 538830281 /nfs/dbraw/zinc/83/02/81/538830281.db2.gz JRECHCKFMMIMSI-UHFFFAOYSA-N 0 0 228.317 2.074 50 0 BEAARN COc1cccnc1N[C@@H]1COC(C)(C)C1 ZINC000396572978 357480779 /nfs/dbraw/zinc/48/07/79/357480779.db2.gz YWPSFIZQTJNOHF-VIFPVBQESA-N 0 0 222.288 2.070 50 0 BEAARN O=C(CCCn1cccc1)Nc1nccs1 ZINC000049031008 358062338 /nfs/dbraw/zinc/06/23/38/358062338.db2.gz PWVQPMPEKDLDCL-UHFFFAOYSA-N 0 0 235.312 2.364 50 0 BEAARN CCCc1cc(CN(C)Cc2[nH]cnc2C)[nH]n1 ZINC000065461655 535395795 /nfs/dbraw/zinc/39/57/95/535395795.db2.gz YCTLBNXGQNMAGJ-UHFFFAOYSA-N 0 0 247.346 2.026 50 0 BEAARN CC[C@@H](C(C)=O)C(=O)Nc1ccccc1 ZINC000003162925 358190335 /nfs/dbraw/zinc/19/03/35/358190335.db2.gz PQSBYIQGYNIWJR-NSHDSACASA-N 0 0 205.257 2.240 50 0 BEAARN O=C([O-])CSC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000075906099 491125020 /nfs/dbraw/zinc/12/50/20/491125020.db2.gz ILNNSEOHNOANCC-QWRGUYRKSA-N 0 0 243.372 2.069 50 0 BEAARN [N-]=[N+]=Nc1nncn1N=Cc1ccccc1 ZINC000252621688 358216400 /nfs/dbraw/zinc/21/64/00/358216400.db2.gz NEPJNIRDGJPDSK-UHFFFAOYSA-N 0 0 213.204 2.102 50 0 BEAARN Cc1cc(C)nc(NCc2ccncc2C)n1 ZINC000228704783 358384431 /nfs/dbraw/zinc/38/44/31/358384431.db2.gz VYPOYRUMDFYTEX-UHFFFAOYSA-N 0 0 228.299 2.409 50 0 BEAARN C[C@H](CO)[C@@H]1CC[C@@H]2[C@H](O)CCC[C@]12C ZINC000044021064 358545574 /nfs/dbraw/zinc/54/55/74/358545574.db2.gz FUBPRYXDIHQLGH-NZEXEKPDSA-N 0 0 212.333 2.192 50 0 BEAARN Cc1cc(NC(=O)Cc2ccc(C)cc2)n[nH]1 ZINC000047555565 358593368 /nfs/dbraw/zinc/59/33/68/358593368.db2.gz PNCZTXZHUYMXOX-UHFFFAOYSA-N 0 0 229.283 2.208 50 0 BEAARN NC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000007770379 181298695 /nfs/dbraw/zinc/29/86/95/181298695.db2.gz WAAWNDGGFOERAC-NSHDSACASA-N 0 0 244.294 2.080 50 0 BEAARN COc1ccc(NC(=O)[C@H](C)n2cccc2)cn1 ZINC000130216784 358959383 /nfs/dbraw/zinc/95/93/83/358959383.db2.gz JVHHOFIQZCKTGT-JTQLQIEISA-N 0 0 245.282 2.091 50 0 BEAARN C[C@@H](N[C@@H](C)c1nccn1C)c1ccccn1 ZINC000070443531 359054396 /nfs/dbraw/zinc/05/43/96/359054396.db2.gz RDOGAVVWTQSKIQ-MNOVXSKESA-N 0 0 230.315 2.227 50 0 BEAARN COC(=O)CSCc1ccc(F)cc1 ZINC000006490463 359531638 /nfs/dbraw/zinc/53/16/38/359531638.db2.gz NIFNMNTXBNGSBX-UHFFFAOYSA-N 0 0 214.261 2.232 50 0 BEAARN C[C@@H]1CN(Cc2ccon2)C[C@@H](C)S1 ZINC000089937105 360049998 /nfs/dbraw/zinc/04/99/98/360049998.db2.gz NLYZUGFAXNYEPE-RKDXNWHRSA-N 0 0 212.318 2.000 50 0 BEAARN Cc1ccc(CNC(=O)c2csnc2C)o1 ZINC000040757299 360249094 /nfs/dbraw/zinc/24/90/94/360249094.db2.gz FSQBRPRORTYAFT-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN C1=CCC(c2nc([C@H]3CCOC3)no2)C1 ZINC000095411041 360337148 /nfs/dbraw/zinc/33/71/48/360337148.db2.gz PZJPDUBIOQKXPW-VIFPVBQESA-N 0 0 206.245 2.007 50 0 BEAARN Cc1ccc(OS(=O)(=O)c2ccccc2)nc1 ZINC000002061708 360526308 /nfs/dbraw/zinc/52/63/08/360526308.db2.gz QWEAXYPINQBUBG-UHFFFAOYSA-N 0 0 249.291 2.158 50 0 BEAARN CN(C)[C@H](CNC(=O)C(C)(C)C)c1ccco1 ZINC000036078753 360568053 /nfs/dbraw/zinc/56/80/53/360568053.db2.gz RSJWSBCWRQNZAV-SNVBAGLBSA-N 0 0 238.331 2.045 50 0 BEAARN CC(=O)c1ccc(Br)cc1N ZINC000034306990 219818711 /nfs/dbraw/zinc/81/87/11/219818711.db2.gz RCGAXUAOILUCAA-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN CC(C)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000006660534 360550167 /nfs/dbraw/zinc/55/01/67/360550167.db2.gz RSFXEPAMUSMADY-UHFFFAOYSA-N 0 0 245.282 2.009 50 0 BEAARN CC1(C)COCCN1C(=O)Nc1ccccc1 ZINC000036102037 360599881 /nfs/dbraw/zinc/59/98/81/360599881.db2.gz FTIJCLVADQOLOJ-UHFFFAOYSA-N 0 0 234.299 2.329 50 0 BEAARN CCn1ccc(C(=O)Nc2cc(C)cc(C)n2)n1 ZINC000006698937 360607049 /nfs/dbraw/zinc/60/70/49/360607049.db2.gz RATOUSFIVFOEJX-UHFFFAOYSA-N 0 0 244.298 2.167 50 0 BEAARN NC(=O)c1cccc(OC2CCCCC2)c1 ZINC000098012623 181305529 /nfs/dbraw/zinc/30/55/29/181305529.db2.gz IERDXDSNMDACLB-UHFFFAOYSA-N 0 0 219.284 2.497 50 0 BEAARN O=c1cc(CSc2ccccn2)occ1O ZINC000038189931 360703796 /nfs/dbraw/zinc/70/37/96/360703796.db2.gz ZCQJPBKAYLANJH-UHFFFAOYSA-N 0 0 235.264 2.033 50 0 BEAARN Cn1ccnc1SC[C@@H](O)c1ccccc1 ZINC000006746117 360711158 /nfs/dbraw/zinc/71/11/58/360711158.db2.gz ZFWNNCVHBLUPJL-LLVKDONJSA-N 0 0 234.324 2.246 50 0 BEAARN NC(=S)C1(NC(=O)c2ccccc2)CCCC1 ZINC000041066707 181315532 /nfs/dbraw/zinc/31/55/32/181315532.db2.gz PGWLZBRWEMQHQE-UHFFFAOYSA-N 0 0 248.351 2.015 50 0 BEAARN NC(=S)COc1ccccc1C(F)(F)F ZINC000014808239 181316562 /nfs/dbraw/zinc/31/65/62/181316562.db2.gz HYWDQAHONBIYJY-UHFFFAOYSA-N 0 0 235.230 2.370 50 0 BEAARN NC(=S)Nc1ccc(Cl)cc1F ZINC000042238230 181319413 /nfs/dbraw/zinc/31/94/13/181319413.db2.gz KDVKVMLGEXQVIC-UHFFFAOYSA-N 0 0 204.657 2.135 50 0 BEAARN NC(=S)Nc1cccc2ccccc21 ZINC000003875603 181319521 /nfs/dbraw/zinc/31/95/21/181319521.db2.gz PIVQQUNOTICCSA-UHFFFAOYSA-N 0 0 202.282 2.495 50 0 in-vitro BEAARN O=C(Cc1cccs1)NCCc1ccccn1 ZINC000006831789 360981139 /nfs/dbraw/zinc/98/11/39/360981139.db2.gz CQNZBDLRYUDKJT-UHFFFAOYSA-N 0 0 246.335 2.045 50 0 BEAARN Cc1ccccc1CC(=O)N(C)C[C@@H]1CCOC1 ZINC000169749089 361023651 /nfs/dbraw/zinc/02/36/51/361023651.db2.gz VUNMKOYIAZYIDX-ZDUSSCGKSA-N 0 0 247.338 2.032 50 0 BEAARN Cc1cc(CN(C)C(=O)c2ccsc2)no1 ZINC000036397927 361083366 /nfs/dbraw/zinc/08/33/66/361083366.db2.gz GKKUIMFIOZXLSM-UHFFFAOYSA-N 0 0 236.296 2.317 50 0 BEAARN CCN(CC)C(=O)CSc1ccc(O)cc1 ZINC000037995622 361070154 /nfs/dbraw/zinc/07/01/54/361070154.db2.gz HXETUEFBZYUPHN-UHFFFAOYSA-N 0 0 239.340 2.353 50 0 BEAARN Cc1csc(CNC(=O)c2cccs2)n1 ZINC000036391714 361074256 /nfs/dbraw/zinc/07/42/56/361074256.db2.gz MVSNDPVFNKFTKM-UHFFFAOYSA-N 0 0 238.337 2.443 50 0 BEAARN C[C@H](Cc1cccs1)NC(=O)C1CC1 ZINC000036392293 361075588 /nfs/dbraw/zinc/07/55/88/361075588.db2.gz ZTNQZDVTISVNKZ-MRVPVSSYSA-N 0 0 209.314 2.205 50 0 BEAARN NC(=S)c1sccc1Br ZINC000000109153 181322911 /nfs/dbraw/zinc/32/29/11/181322911.db2.gz LJHCNGDJUDDXLP-UHFFFAOYSA-N 0 0 222.132 2.145 50 0 BEAARN O=C(c1ccco1)N(Cc1cccnc1)C1CC1 ZINC000036397194 361082580 /nfs/dbraw/zinc/08/25/80/361082580.db2.gz OVFGQGGPDNRYFX-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN CC[C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000036420721 361124010 /nfs/dbraw/zinc/12/40/10/361124010.db2.gz BNODHOQXKOUMHA-LLVKDONJSA-N 0 0 208.257 2.362 50 0 BEAARN NC(=O)CCn1cc(/C=C/C2CCCCC2)cn1 ZINC000426434857 200986903 /nfs/dbraw/zinc/98/69/03/200986903.db2.gz OPAITMGQJMNUEN-VOTSOKGWSA-N 0 0 247.342 2.352 50 0 BEAARN NC(=O)c1cncc(/C=C/C2CCCCC2)n1 ZINC000426515738 200992662 /nfs/dbraw/zinc/99/26/62/200992662.db2.gz QINKPPVIDSIJLN-VOTSOKGWSA-N 0 0 231.299 2.169 50 0 BEAARN CCc1ccc(CNCc2nnc(C3CC3)o2)o1 ZINC000170086102 361390484 /nfs/dbraw/zinc/39/04/84/361390484.db2.gz LLVKYMBJXGKRIP-UHFFFAOYSA-N 0 0 247.298 2.392 50 0 BEAARN COC(=O)CCNc1cc(C)cc(C)c1 ZINC000036671228 361378103 /nfs/dbraw/zinc/37/81/03/361378103.db2.gz ICOXSIZSRIIRLY-UHFFFAOYSA-N 0 0 207.273 2.278 50 0 BEAARN COCc1ccccc1CNc1cnccn1 ZINC000037501511 364097632 /nfs/dbraw/zinc/09/76/32/364097632.db2.gz WQRCIKYIIMLWJJ-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN CC(C)c1nccn1[C@@H]1CCCC[C@@H]1O ZINC000037694210 364527678 /nfs/dbraw/zinc/52/76/78/364527678.db2.gz IYRJOXOSRJODCP-MNOVXSKESA-N 0 0 208.305 2.483 50 0 BEAARN CC(C)CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000006838390 541441155 /nfs/dbraw/zinc/44/11/55/541441155.db2.gz XRRWVJQGLQLDKL-UHFFFAOYSA-N 0 0 245.278 2.179 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)c2ccncc2)n1C ZINC000027407031 541499260 /nfs/dbraw/zinc/49/92/60/541499260.db2.gz ODGSEGCNSHZZNA-NSHDSACASA-N 0 0 243.310 2.220 50 0 BEAARN Cc1cccc(CCC(=O)N2CCC2)c1 ZINC000032845864 541502147 /nfs/dbraw/zinc/50/21/47/541502147.db2.gz ZPDHIGGDIDJXFO-UHFFFAOYSA-N 0 0 203.285 2.160 50 0 BEAARN On1c2cccnc2nc1-c1ccccc1 ZINC000001396596 367661320 /nfs/dbraw/zinc/66/13/20/367661320.db2.gz GCFISBPLDOPPCX-UHFFFAOYSA-N 0 0 211.224 2.336 50 0 BEAARN Cc1nn(C)c(C(=O)NC2CCCC2)c1Cl ZINC000002764071 367771315 /nfs/dbraw/zinc/77/13/15/367771315.db2.gz APMQLLXYJKBODN-UHFFFAOYSA-N 0 0 241.722 2.054 50 0 BEAARN CCc1noc([C@@H](C)SCC(C)=O)n1 ZINC000081273569 370864430 /nfs/dbraw/zinc/86/44/30/370864430.db2.gz OWBYLHRHAYPIEN-SSDOTTSWSA-N 0 0 214.290 2.015 50 0 BEAARN Nc1cc(Cl)nnc1N=NCc1ccccc1 ZINC000004086122 368369338 /nfs/dbraw/zinc/36/93/38/368369338.db2.gz NGALFLBWMRZVGY-UHFFFAOYSA-N 0 0 247.689 2.158 50 0 BEAARN O=c1ccc2ccccc2n1-c1ccccn1 ZINC000019899156 368372691 /nfs/dbraw/zinc/37/26/91/368372691.db2.gz YAPMFYHUTBPCTO-UHFFFAOYSA-N 0 0 222.247 2.386 50 0 BEAARN Nc1cc(F)c(OC(F)(F)F)c(F)c1 ZINC000196800203 368397584 /nfs/dbraw/zinc/39/75/84/368397584.db2.gz VXWCYNJUPCSXGF-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN N=C(N=O)C1=CC[N@H+](Cc2ccccc2)C=C1 ZINC000038169493 368376240 /nfs/dbraw/zinc/37/62/40/368376240.db2.gz QUGJMDFDOCOQGG-UHFFFAOYSA-N 0 0 227.267 2.466 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000114119880 368386886 /nfs/dbraw/zinc/38/68/86/368386886.db2.gz HUMJQOGXKFLZIK-SECBINFHSA-N 0 0 229.320 2.014 50 0 BEAARN COc1cc(Br)cc(C(C)=O)c1O ZINC000214456687 368401955 /nfs/dbraw/zinc/40/19/55/368401955.db2.gz GXFIRNPQAMNVEZ-UHFFFAOYSA-N 0 0 245.072 2.366 50 0 BEAARN CC(C)=CCNS(=O)(=O)c1ccc(C)cc1 ZINC000000339291 368537874 /nfs/dbraw/zinc/53/78/74/368537874.db2.gz JYOTUFCJOOMQBU-UHFFFAOYSA-N 0 0 239.340 2.240 50 0 BEAARN Cc1noc(Cn2ccc(-c3ccccc3)n2)n1 ZINC000072302040 368771736 /nfs/dbraw/zinc/77/17/36/368771736.db2.gz VHQGQKAZSOHUIK-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN COC(C)(C)c1noc(C2CC=CC2)n1 ZINC000089775564 368953080 /nfs/dbraw/zinc/95/30/80/368953080.db2.gz OLKZYHPAETZYPA-UHFFFAOYSA-N 0 0 208.261 2.385 50 0 BEAARN C[S@@](=O)c1nsc(Nc2ccccc2)n1 ZINC000005394118 369026254 /nfs/dbraw/zinc/02/62/54/369026254.db2.gz SHWBXEFEJMJISR-HNNXBMFYSA-N 0 0 239.325 2.019 50 0 BEAARN C=Cc1c(I)cc[nH]c1=O ZINC000584884028 369028992 /nfs/dbraw/zinc/02/89/92/369028992.db2.gz RESYLNJCDKYRDS-UHFFFAOYSA-N 0 0 247.035 2.035 50 0 BEAARN CCC1(CC)CCN(C(=O)c2c(C)ncn2C)C1 ZINC000584897744 369045613 /nfs/dbraw/zinc/04/56/13/369045613.db2.gz GNJNVWIWORPUFB-UHFFFAOYSA-N 0 0 249.358 2.381 50 0 BEAARN O=C(Nc1cccc(C(F)(F)F)n1)C1CC1 ZINC000161515085 369584006 /nfs/dbraw/zinc/58/40/06/369584006.db2.gz KCWPLOBKCADVHU-UHFFFAOYSA-N 0 0 230.189 2.449 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000252099014 369998378 /nfs/dbraw/zinc/99/83/78/369998378.db2.gz IDLXROVVBKEMEG-JLLWLGSASA-N 0 0 231.295 2.282 50 0 BEAARN COC(=O)c1ccc2oc(C(C)(C)O)cc2c1 ZINC000114959812 370613484 /nfs/dbraw/zinc/61/34/84/370613484.db2.gz ODLFCBQXOZIBEY-UHFFFAOYSA-N 0 0 234.251 2.447 50 0 BEAARN O=C([O-])[C@H]1[NH2+]CCC[C@@H]1CCc1ccccc1 ZINC000261361133 371058321 /nfs/dbraw/zinc/05/83/21/371058321.db2.gz QOWYXXZRPIENDA-OLZOCXBDSA-N 0 0 233.311 2.072 50 0 BEAARN CCOc1ccc([C@@H]2CCC[NH2+][C@H]2C(=O)[O-])cc1 ZINC000261361081 371058714 /nfs/dbraw/zinc/05/87/14/371058714.db2.gz FSNJMXFHMYBOKB-QWHCGFSZSA-N 0 0 249.310 2.006 50 0 BEAARN O=C(Oc1ccc2n[nH]cc2c1)c1ccccn1 ZINC000079075477 371179410 /nfs/dbraw/zinc/17/94/10/371179410.db2.gz QFWKOMBLYAWYSO-UHFFFAOYSA-N 0 0 239.234 2.177 50 0 BEAARN COCc1noc(Cc2c[nH]c3ccccc23)n1 ZINC000020911332 371353669 /nfs/dbraw/zinc/35/36/69/371353669.db2.gz JVYHZRRTPBUCKU-UHFFFAOYSA-N 0 0 243.266 2.288 50 0 BEAARN CC1(C)OC(=O)c2c(O)c(Cl)ccc2O1 ZINC000095836909 371355187 /nfs/dbraw/zinc/35/51/87/371355187.db2.gz UQWQSRKHSRBXDQ-UHFFFAOYSA-N 0 0 228.631 2.331 50 0 BEAARN N[C@]1(C(F)(F)F)CCc2ccccc21 ZINC000082670807 181663072 /nfs/dbraw/zinc/66/30/72/181663072.db2.gz BVHDBTDFAYSBCV-SECBINFHSA-N 0 0 201.191 2.349 50 0 BEAARN Nc1cccc(C(=O)Nc2ccc(O)cc2)c1 ZINC000000262115 181742626 /nfs/dbraw/zinc/74/26/26/181742626.db2.gz JWKHGQGMYPBLGD-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN Nc1cccc(COC[C@@H]2CCCCO2)c1 ZINC000019402447 181743822 /nfs/dbraw/zinc/74/38/22/181743822.db2.gz XHUFKKHHDLIONK-ZDUSSCGKSA-N 0 0 221.300 2.355 50 0 BEAARN Nc1ccnn1Cc1ccc(Cl)s1 ZINC000036906786 181765375 /nfs/dbraw/zinc/76/53/75/181765375.db2.gz GRBIKNWFWQCAQV-UHFFFAOYSA-N 0 0 213.693 2.229 50 0 BEAARN Nc1ccccc1CNc1ccccc1N ZINC000043827556 181755008 /nfs/dbraw/zinc/75/50/08/181755008.db2.gz NVDBRWNSRBMUGT-UHFFFAOYSA-N 0 0 213.284 2.463 50 0 BEAARN Nc1ccn(Cc2ccccc2Cl)n1 ZINC000002388765 181760603 /nfs/dbraw/zinc/76/06/03/181760603.db2.gz JCONEINCKQOFEC-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN CC(C)C(=O)N1CCC(=O)Nc2ccccc21 ZINC000021793258 371495098 /nfs/dbraw/zinc/49/50/98/371495098.db2.gz AXFMMJOWJMWQEE-UHFFFAOYSA-N 0 0 232.283 2.018 50 0 BEAARN CCCCC(=O)n1nc(-c2ccccc2)nc1N ZINC000021804486 371496669 /nfs/dbraw/zinc/49/66/69/371496669.db2.gz ZLSSEKGAJCGZJL-UHFFFAOYSA-N 0 0 244.298 2.358 50 0 BEAARN CCCC[C@@H](C)C(=O)N(C)Cc1ccnn1C ZINC000225704275 371567071 /nfs/dbraw/zinc/56/70/71/371567071.db2.gz ICUJPUMWSZHZPQ-LLVKDONJSA-N 0 0 237.347 2.205 50 0 BEAARN Cc1c(C(=O)Nc2cc(C)ccc2F)cnn1C ZINC000002760120 371650898 /nfs/dbraw/zinc/65/08/98/371650898.db2.gz SNVFMVOEBZFMOF-UHFFFAOYSA-N 0 0 247.273 2.428 50 0 BEAARN Nc1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000012860171 181794272 /nfs/dbraw/zinc/79/42/72/181794272.db2.gz MDLNXUGKMOYAMS-UHFFFAOYSA-N 0 0 243.310 2.484 50 0 BEAARN Nc1ncc2c(F)cc(Br)cc2n1 ZINC000095835783 181798536 /nfs/dbraw/zinc/79/85/36/181798536.db2.gz DIHXWNSPRGKGQU-UHFFFAOYSA-N 0 0 242.051 2.114 50 0 BEAARN Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000022115094 181812480 /nfs/dbraw/zinc/81/24/80/181812480.db2.gz NHLQBNSORVQYNO-UHFFFAOYSA-N 0 0 245.160 2.217 50 0 BEAARN CCCCn1c(=O)c2ccc[nH]c-2nc1=S ZINC000002959781 371820597 /nfs/dbraw/zinc/82/05/97/371820597.db2.gz HYXPNXSWIJJMLB-UHFFFAOYSA-N 0 0 235.312 2.254 50 0 BEAARN Nc1nnc([C@H]2CCOc3ccccc32)s1 ZINC000082557083 181814302 /nfs/dbraw/zinc/81/43/02/181814302.db2.gz MDSGPZNCMYFUSM-QMMMGPOBSA-N 0 0 233.296 2.035 50 0 BEAARN Nc1nnc(S[C@@H]2CCCCCC2=O)s1 ZINC000029302963 181815168 /nfs/dbraw/zinc/81/51/68/181815168.db2.gz XAAFDSKUDMQYEU-SSDOTTSWSA-N 0 0 243.357 2.114 50 0 BEAARN CC[C@]1(C)NC(=O)N(Cc2ccccc2C)C1=O ZINC000003345245 371964306 /nfs/dbraw/zinc/96/43/06/371964306.db2.gz BMPGALAYMDPMHS-AWEZNQCLSA-N 0 0 246.310 2.216 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000003748012 372060235 /nfs/dbraw/zinc/06/02/35/372060235.db2.gz TUKMZQWCGNQTCQ-NSHDSACASA-N 0 0 241.237 2.014 50 0 BEAARN COc1ncccc1CNC(=O)[C@H]1CC=CCC1 ZINC000031319152 372047027 /nfs/dbraw/zinc/04/70/27/372047027.db2.gz IZUXIVPXDDHUQM-NSHDSACASA-N 0 0 246.310 2.063 50 0 BEAARN O=C(C1CCOCC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000089817855 181871177 /nfs/dbraw/zinc/87/11/77/181871177.db2.gz NVBOLDBZOAOVLV-YPMHNXCESA-N 0 0 237.343 2.204 50 0 BEAARN O=C(C1CCOCC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000089817857 181871746 /nfs/dbraw/zinc/87/17/46/181871746.db2.gz NVBOLDBZOAOVLV-AAEUAGOBSA-N 0 0 237.343 2.204 50 0 BEAARN Cc1nc(C)c(C(=O)NC2CCCC2)s1 ZINC000007995355 372219346 /nfs/dbraw/zinc/21/93/46/372219346.db2.gz ZVWMGKLNYSKOCP-UHFFFAOYSA-N 0 0 224.329 2.432 50 0 BEAARN Cc1nc(C)n(CCc2nc3ccccc3[nH]2)n1 ZINC000004320269 372203079 /nfs/dbraw/zinc/20/30/79/372203079.db2.gz OSSLVAGTTANVCV-UHFFFAOYSA-N 0 0 241.298 2.014 50 0 BEAARN O=C(CCc1ccccc1)Nc1nncs1 ZINC000000437458 181931343 /nfs/dbraw/zinc/93/13/43/181931343.db2.gz YXNCZMRLZBQWNP-UHFFFAOYSA-N 0 0 233.296 2.109 50 0 BEAARN Cc1cc2n(n1)S[C@H](NCc1ccccc1)N2 ZINC000008301727 372552611 /nfs/dbraw/zinc/55/26/11/372552611.db2.gz JKPSHYNRDPNZND-GFCCVEGCSA-N 0 0 246.339 2.187 50 0 BEAARN O=C(CCc1ccsc1)N1CCCCO1 ZINC000170603958 181937131 /nfs/dbraw/zinc/93/71/31/181937131.db2.gz ASHKXRWCSODJSM-UHFFFAOYSA-N 0 0 225.313 2.235 50 0 BEAARN O=C(COc1ccccc1F)c1ccc[nH]1 ZINC000005859976 182004067 /nfs/dbraw/zinc/00/40/67/182004067.db2.gz JEFIOVWXINJGKZ-UHFFFAOYSA-N 0 0 219.215 2.416 50 0 BEAARN CCc1nc(-c2ccc(N(C)C)cc2)nn1C ZINC000426662531 372868896 /nfs/dbraw/zinc/86/88/96/372868896.db2.gz VZGRIGJEUMAKBA-UHFFFAOYSA-N 0 0 230.315 2.111 50 0 BEAARN CCC1(CC)C(=O)N[C@H]1Oc1ccccc1 ZINC000141120920 372870458 /nfs/dbraw/zinc/87/04/58/372870458.db2.gz RQVOBJFMHXHBRW-LBPRGKRZSA-N 0 0 219.284 2.328 50 0 BEAARN O=C(COc1ccc(F)cc1)Nc1cccnc1 ZINC000000269458 182000353 /nfs/dbraw/zinc/00/03/53/182000353.db2.gz WNKYCNWOJDONQC-UHFFFAOYSA-N 0 0 246.241 2.238 50 0 BEAARN O=C(COc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004363208 182002763 /nfs/dbraw/zinc/00/27/63/182002763.db2.gz KHHWHWQAUKLMIB-OUCADQQQSA-N 0 0 245.322 2.370 50 0 BEAARN O=C(COc1ccccc1)NC1CCCC1 ZINC000000146551 182003628 /nfs/dbraw/zinc/00/36/28/182003628.db2.gz CIEWURLIVJMXTD-UHFFFAOYSA-N 0 0 219.284 2.124 50 0 BEAARN O=C(CC(=O)C1CC1)OCc1ccccc1 ZINC000039169788 372890167 /nfs/dbraw/zinc/89/01/67/372890167.db2.gz KRKIMZALHRHIHB-UHFFFAOYSA-N 0 0 218.252 2.099 50 0 BEAARN O=C(CSc1ccccc1)NC1CC1 ZINC000000452382 182009231 /nfs/dbraw/zinc/00/92/31/182009231.db2.gz HKYAABDJFKXZAD-UHFFFAOYSA-N 0 0 207.298 2.057 50 0 BEAARN O=C(CSCCO)Nc1ccc(Cl)cc1 ZINC000002832925 182009546 /nfs/dbraw/zinc/00/95/46/182009546.db2.gz XNIOMWCJIOSSIS-UHFFFAOYSA-N 0 0 245.731 2.004 50 0 BEAARN O=C(CSCCO)Nc1ccccc1Cl ZINC000002827319 182009585 /nfs/dbraw/zinc/00/95/85/182009585.db2.gz XGCWTTSDLTWUQR-UHFFFAOYSA-N 0 0 245.731 2.004 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCCc1cccc(O)c1 ZINC000058129801 182014442 /nfs/dbraw/zinc/01/44/42/182014442.db2.gz WLSDOQLGKJSPIT-GFCCVEGCSA-N 0 0 245.322 2.407 50 0 BEAARN O=C(C[C@@H]1C=CCC1)Nc1ncccc1O ZINC000084358865 182015254 /nfs/dbraw/zinc/01/52/54/182015254.db2.gz QKYGYXXTJJVSRH-SECBINFHSA-N 0 0 218.256 2.082 50 0 BEAARN O=C(Cc1ccc(O)cc1)c1ccc(O)cc1O ZINC000000487423 182038239 /nfs/dbraw/zinc/03/82/39/182038239.db2.gz KLFCJXAPIFIIFR-UHFFFAOYSA-N 0 0 244.246 2.229 50 0 biogenic,in-vitro BEAARN O=C(Cc1cccc(F)c1)Nc1cccnc1 ZINC000015436394 182042073 /nfs/dbraw/zinc/04/20/73/182042073.db2.gz FGKPYXZGECYPOS-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN O=C(Cc1cccc(F)c1)Nc1nccs1 ZINC000007007639 182042224 /nfs/dbraw/zinc/04/22/24/182042224.db2.gz RBEZTSJJONOQTF-UHFFFAOYSA-N 0 0 236.271 2.463 50 0 BEAARN O=C(Cc1ccccc1)Nc1cncs1 ZINC000238586519 182044359 /nfs/dbraw/zinc/04/43/59/182044359.db2.gz DBHFNOOBDQYSHK-UHFFFAOYSA-N 0 0 218.281 2.324 50 0 BEAARN O=C(Cc1ccccc1)Nc1onc2c1CCC2 ZINC000008736910 182044502 /nfs/dbraw/zinc/04/45/02/182044502.db2.gz OQLSLINGSKOECE-UHFFFAOYSA-N 0 0 242.278 2.345 50 0 BEAARN O=C(Cc1ccccc1Cl)Nc1ncccn1 ZINC000013022365 182044863 /nfs/dbraw/zinc/04/48/63/182044863.db2.gz CVHGYESBKLHTHF-UHFFFAOYSA-N 0 0 247.685 2.311 50 0 BEAARN O=C(Cc1cccs1)Nc1nccs1 ZINC000002550508 182052435 /nfs/dbraw/zinc/05/24/35/182052435.db2.gz VMLRLZWBLOECTA-UHFFFAOYSA-N 0 0 224.310 2.386 50 0 BEAARN COC(=O)c1ccccc1C(=O)c1ccccn1 ZINC000039932510 373063009 /nfs/dbraw/zinc/06/30/09/373063009.db2.gz WZJOCLMPKXXCOB-UHFFFAOYSA-N 0 0 241.246 2.099 50 0 BEAARN Cc1ccc(OCCN(C)C(=O)[C@H]2C[C@H]2C)cc1 ZINC000040001081 373084752 /nfs/dbraw/zinc/08/47/52/373084752.db2.gz NIIFKDHUSNQLMD-OCCSQVGLSA-N 0 0 247.338 2.488 50 0 BEAARN CC[C@H](Sc1ccccn1)C(=O)OC ZINC000040024278 373088604 /nfs/dbraw/zinc/08/86/04/373088604.db2.gz QWYJDNJPTOLXRC-QMMMGPOBSA-N 0 0 211.286 2.125 50 0 BEAARN Cc1csc(S[C@H]2CCCCNC2=O)n1 ZINC000040025137 373089572 /nfs/dbraw/zinc/08/95/72/373089572.db2.gz XABIIRSDCCVYHB-QMMMGPOBSA-N 0 0 242.369 2.212 50 0 BEAARN COCc1ccccc1C(=O)Nc1ccncc1 ZINC000040086588 373103523 /nfs/dbraw/zinc/10/35/23/373103523.db2.gz XVZVCIVWRJFGPA-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN Cc1cc(CN(C)C(=O)c2cccc(F)c2)no1 ZINC000040087876 373104451 /nfs/dbraw/zinc/10/44/51/373104451.db2.gz HWIGZBSAHOTVCU-UHFFFAOYSA-N 0 0 248.257 2.394 50 0 BEAARN Cc1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1 ZINC000008924638 373104686 /nfs/dbraw/zinc/10/46/86/373104686.db2.gz VRSLDNXOIZTMPI-LBPRGKRZSA-N 0 0 248.326 2.231 50 0 BEAARN CS[C@@H](C)C(=O)NCCc1cccs1 ZINC000040093163 373105939 /nfs/dbraw/zinc/10/59/39/373105939.db2.gz BDQQRYWTOXLTOJ-QMMMGPOBSA-N 0 0 229.370 2.158 50 0 BEAARN COCc1cccc(CNC(=O)C(C)(C)C)c1 ZINC000040108424 373108406 /nfs/dbraw/zinc/10/84/06/373108406.db2.gz XGJGDERTSFFTCX-UHFFFAOYSA-N 0 0 235.327 2.495 50 0 BEAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000006440900 182084589 /nfs/dbraw/zinc/08/45/89/182084589.db2.gz LYLQJTSHZYGWBO-UHFFFAOYSA-N 0 0 237.262 2.237 50 0 BEAARN O=C(n1ccnc1)N1CC[C@@H](c2ccccc2)C1 ZINC000089828101 182082738 /nfs/dbraw/zinc/08/27/38/182082738.db2.gz CQQCUQFLASVONI-CYBMUJFWSA-N 0 0 241.294 2.341 50 0 BEAARN Cc1ccc(NC(N)=S)cc1Cl ZINC000002528131 205457140 /nfs/dbraw/zinc/45/71/40/205457140.db2.gz WOUSOFAZMILXJW-UHFFFAOYSA-N 0 0 200.694 2.304 50 0 BEAARN Clc1cncc(-c2cnc3ccccn32)n1 ZINC000040449918 373272206 /nfs/dbraw/zinc/27/22/06/373272206.db2.gz MEWJYRWDPYIXCV-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN O=C(NC1=NCCS1)c1ccccc1Cl ZINC000003343595 182093602 /nfs/dbraw/zinc/09/36/02/182093602.db2.gz GJEYHEODGYKSEY-UHFFFAOYSA-N 0 0 240.715 2.173 50 0 BEAARN O=C(NC1CC(F)(F)C1)c1ccccc1 ZINC000277055398 182093998 /nfs/dbraw/zinc/09/39/98/182093998.db2.gz QTEBKKWRCZTPBA-UHFFFAOYSA-N 0 0 211.211 2.214 50 0 BEAARN CCN(CC)C(=O)c1cccc(N(C)C)c1 ZINC000040459425 373278387 /nfs/dbraw/zinc/27/83/87/373278387.db2.gz WEBJEPPQYOPOSL-UHFFFAOYSA-N 0 0 220.316 2.235 50 0 BEAARN O=C(NC1CC1)c1ccc2cc[nH]c2c1 ZINC000032487996 182100642 /nfs/dbraw/zinc/10/06/42/182100642.db2.gz SEAJIQKFINOEJT-UHFFFAOYSA-N 0 0 200.241 2.060 50 0 BEAARN CON(C)C(=O)c1cc(SC)ccc1C ZINC000040490103 373329029 /nfs/dbraw/zinc/32/90/29/373329029.db2.gz YYKSETGRFJREMN-UHFFFAOYSA-N 0 0 225.313 2.350 50 0 BEAARN Cc1ccc(CN(C)[C@H]2C[C@H](C)OC2=O)c(C)c1 ZINC000040477644 373296109 /nfs/dbraw/zinc/29/61/09/373296109.db2.gz LCGBZLIALHHGHC-JSGCOSHPSA-N 0 0 247.338 2.439 50 0 BEAARN Cc1cnc(C(=O)N(C)Cc2ccsc2)cn1 ZINC000040464695 373281855 /nfs/dbraw/zinc/28/18/55/373281855.db2.gz CSFXSVMIHHCPDS-UHFFFAOYSA-N 0 0 247.323 2.119 50 0 BEAARN O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2O1 ZINC000057529543 182112663 /nfs/dbraw/zinc/11/26/63/182112663.db2.gz ZFKUVDSQMJMFOW-AWEZNQCLSA-N 0 0 245.322 2.439 50 0 BEAARN O=C(NC1CCCCC1)[C@H]1Cc2ccccc2O1 ZINC000057529541 182112674 /nfs/dbraw/zinc/11/26/74/182112674.db2.gz ZFKUVDSQMJMFOW-CQSZACIVSA-N 0 0 245.322 2.439 50 0 BEAARN O=C(NC1CCCCC1)c1cccc(O)c1 ZINC000019836909 182114802 /nfs/dbraw/zinc/11/48/02/182114802.db2.gz WGRKINOYAUHREA-UHFFFAOYSA-N 0 0 219.284 2.455 50 0 BEAARN O=C(NC1CCCC1)c1cc(Cl)ccn1 ZINC000012979124 182110084 /nfs/dbraw/zinc/11/00/84/182110084.db2.gz BIBVVSDTQUGKGV-UHFFFAOYSA-N 0 0 224.691 2.407 50 0 BEAARN O=C(CC[C@@H]1CCCO1)NC1CCCC1 ZINC000040506035 373371452 /nfs/dbraw/zinc/37/14/52/373371452.db2.gz SHYLECRZJOFRKY-NSHDSACASA-N 0 0 211.305 2.004 50 0 BEAARN O=C(NC1CCCC1)c1cccc(F)c1 ZINC000000409496 182110735 /nfs/dbraw/zinc/11/07/35/182110735.db2.gz STNWAPCECAFVKW-UHFFFAOYSA-N 0 0 207.248 2.498 50 0 BEAARN O=C(CCc1cccs1)Nc1c[nH]ccc1=O ZINC000040513472 373414082 /nfs/dbraw/zinc/41/40/82/373414082.db2.gz QXJJBPLUADHUPR-UHFFFAOYSA-N 0 0 248.307 2.008 50 0 BEAARN O=C(NCC(F)(F)C(F)F)[C@@H]1CC=CCC1 ZINC000195580122 182121863 /nfs/dbraw/zinc/12/18/63/182121863.db2.gz NMCGRVWYVCZENV-SSDOTTSWSA-N 0 0 239.212 2.359 50 0 BEAARN CCCc1ccccc1NC(=O)N[C@@H](C)CO ZINC000040526922 373454672 /nfs/dbraw/zinc/45/46/72/373454672.db2.gz VJKCQHZJXZGTOZ-JTQLQIEISA-N 0 0 236.315 2.141 50 0 BEAARN CC(C)C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000040534925 373460214 /nfs/dbraw/zinc/46/02/14/373460214.db2.gz YUMPTQFITLTHSH-NEPJUHHUSA-N 0 0 227.348 2.354 50 0 BEAARN Cc1oc(-c2cccs2)nc1C(=O)N(C)C ZINC000040534084 373460598 /nfs/dbraw/zinc/46/05/98/373460598.db2.gz KDXYQGBEEXKBQB-UHFFFAOYSA-N 0 0 236.296 2.413 50 0 BEAARN CCOc1ccc(C(=O)NCc2ccco2)cn1 ZINC000040553212 373490370 /nfs/dbraw/zinc/49/03/70/373490370.db2.gz RHIIYZSGKOXQIQ-UHFFFAOYSA-N 0 0 246.266 2.003 50 0 BEAARN O=C(NCCCO)Nc1cccc2c1CCCC2 ZINC000069514556 182170721 /nfs/dbraw/zinc/17/07/21/182170721.db2.gz CWSQSLCQMXLMOY-UHFFFAOYSA-N 0 0 248.326 2.069 50 0 BEAARN O=C(COC(=O)c1ccccn1)c1ccccc1 ZINC000009261865 373732952 /nfs/dbraw/zinc/73/29/52/373732952.db2.gz UQGMVQWMNYXAOM-UHFFFAOYSA-N 0 0 241.246 2.121 50 0 BEAARN O=C(NCCCc1nc2ccccc2[nH]1)C1CC1 ZINC000011484607 182176090 /nfs/dbraw/zinc/17/60/90/182176090.db2.gz GJENPXMIVFIKGY-UHFFFAOYSA-N 0 0 243.310 2.022 50 0 BEAARN O=C(NCCc1ccccn1)c1cccc(F)c1 ZINC000058311874 182206058 /nfs/dbraw/zinc/20/60/58/182206058.db2.gz AJBINTQLUPYFTB-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@H]1c1ccco1 ZINC000089794476 182199478 /nfs/dbraw/zinc/19/94/78/182199478.db2.gz QIEGNWXQQIJIHU-TUAOUCFPSA-N 0 0 249.310 2.068 50 0 BEAARN O=C(NCCc1ccc(Cl)cc1)C1CC1 ZINC000006863242 182201733 /nfs/dbraw/zinc/20/17/33/182201733.db2.gz VDEYNDXOPPJYQM-UHFFFAOYSA-N 0 0 223.703 2.409 50 0 BEAARN O=C(NCCc1cccc(Cl)c1)C1CC1 ZINC000000449723 182202493 /nfs/dbraw/zinc/20/24/93/182202493.db2.gz YTKKPTPWXKHKHD-UHFFFAOYSA-N 0 0 223.703 2.409 50 0 BEAARN O=C(NCCc1ccccc1)NCc1ccco1 ZINC000048313004 182205130 /nfs/dbraw/zinc/20/51/30/182205130.db2.gz CXGXTUQSGFQDCH-UHFFFAOYSA-N 0 0 244.294 2.322 50 0 BEAARN O=C(NCCc1cccnc1)c1ccc(F)cc1 ZINC000037492111 182208023 /nfs/dbraw/zinc/20/80/23/182208023.db2.gz DSMJQDNWJHCMGA-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1cccs1)c1ccccc1O ZINC000019839735 182208533 /nfs/dbraw/zinc/20/85/33/182208533.db2.gz LJCGBHHWGYNISY-UHFFFAOYSA-N 0 0 247.319 2.426 50 0 BEAARN O=c1[nH]c2ccccc2n1-c1cccc(O)c1 ZINC000142764751 373970467 /nfs/dbraw/zinc/97/04/67/373970467.db2.gz SNCKSPDKEMCKHB-UHFFFAOYSA-N 0 0 226.235 2.024 50 0 BEAARN O=C(NCCc1ccsc1)c1ccccn1 ZINC000040509566 182210406 /nfs/dbraw/zinc/21/04/06/182210406.db2.gz OFYJYAAVDSEEKJ-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN O=C(NCCc1ccsc1)c1cccnc1 ZINC000044912124 182210975 /nfs/dbraw/zinc/21/09/75/182210975.db2.gz CCUOLVDDJLSKJK-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN CC(C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041194525 374118267 /nfs/dbraw/zinc/11/82/67/374118267.db2.gz LVCWKYWVXUOHQZ-NWDGAFQWSA-N 0 0 225.332 2.203 50 0 BEAARN O=C(c1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041194601 374118414 /nfs/dbraw/zinc/11/84/14/374118414.db2.gz CVTYJDOOFJNMQB-KBPBESRZSA-N 0 0 245.322 2.470 50 0 BEAARN O=C(NC[C@H](O)c1ccccc1)C1CCCC1 ZINC000035108715 182234259 /nfs/dbraw/zinc/23/42/59/182234259.db2.gz AGVHLORPMNMHGC-ZDUSSCGKSA-N 0 0 233.311 2.026 50 0 BEAARN O=Cc1c(Cl)ncn1-c1ccc(F)cc1 ZINC000069949511 374095348 /nfs/dbraw/zinc/09/53/48/374095348.db2.gz IHMWFIHDHIXBLP-UHFFFAOYSA-N 0 0 224.622 2.477 50 0 BEAARN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)NC1CC1 ZINC000089827972 182229648 /nfs/dbraw/zinc/22/96/48/182229648.db2.gz SIXZOAQDUXMOHH-WCQYABFASA-N 0 0 230.311 2.252 50 0 BEAARN O=C(NC[C@@H]1Cc2ccccc2O1)c1ccco1 ZINC000032008060 182230419 /nfs/dbraw/zinc/23/04/19/182230419.db2.gz RSZAUJYHDAFSQT-NSHDSACASA-N 0 0 243.262 2.013 50 0 BEAARN COC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000041424146 374139569 /nfs/dbraw/zinc/13/95/69/374139569.db2.gz KVWROTRFKNMNCH-CMPLNLGQSA-N 0 0 235.283 2.215 50 0 BEAARN CC(=O)N1C[C@H](C)O[C@@H](c2ccc(C)cc2)C1 ZINC000041422256 374140219 /nfs/dbraw/zinc/14/02/19/374140219.db2.gz UNSUUAYHBGLISC-SMDDNHRTSA-N 0 0 233.311 2.303 50 0 BEAARN CSc1ncc(CO)n1Cc1ccc(C)cc1 ZINC000009529062 374145370 /nfs/dbraw/zinc/14/53/70/374145370.db2.gz LNGGEUISGGEXPW-UHFFFAOYSA-N 0 0 248.351 2.454 50 0 BEAARN O=C(NC[C@H]1C[C@@H]1c1ccccc1)NC1CC1 ZINC000089827970 182246219 /nfs/dbraw/zinc/24/62/19/182246219.db2.gz SIXZOAQDUXMOHH-DGCLKSJQSA-N 0 0 230.311 2.252 50 0 BEAARN O=C(NCc1ccc(F)c(Cl)c1)NC1CC1 ZINC000069812155 182250243 /nfs/dbraw/zinc/25/02/43/182250243.db2.gz YVZCXTXPRGOKNU-UHFFFAOYSA-N 0 0 242.681 2.441 50 0 BEAARN Cc1cccc(-c2noc(Cn3ccnc3)n2)c1 ZINC000042122647 374249823 /nfs/dbraw/zinc/24/98/23/374249823.db2.gz BIWDSBTXBHQKCJ-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN O=C(NCc1ccco1)c1ccc(F)c(F)c1 ZINC000016651888 182263248 /nfs/dbraw/zinc/26/32/48/182263248.db2.gz AGKXZPRMOKNEIJ-UHFFFAOYSA-N 0 0 237.205 2.488 50 0 BEAARN O=C(NCc1ccco1)c1ccc2c(c1)CCO2 ZINC000004324796 182263328 /nfs/dbraw/zinc/26/33/28/182263328.db2.gz XNWAMFICMGJADL-UHFFFAOYSA-N 0 0 243.262 2.145 50 0 BEAARN O=C(NCc1ccco1)c1cccs1 ZINC000003164315 182263478 /nfs/dbraw/zinc/26/34/78/182263478.db2.gz AUELCNAPLMONQW-UHFFFAOYSA-N 0 0 207.254 2.271 50 0 BEAARN O=C(NCc1ccncc1)C1CCCCC1 ZINC000000341847 182264538 /nfs/dbraw/zinc/26/45/38/182264538.db2.gz ZMUAYIXHCNEDSI-UHFFFAOYSA-N 0 0 218.300 2.278 50 0 BEAARN CCCc1nc(CN2CCO[C@H](C)C2)cs1 ZINC000042652046 374280012 /nfs/dbraw/zinc/28/00/12/374280012.db2.gz LKJICJGCNWKYAZ-SNVBAGLBSA-N 0 0 240.372 2.316 50 0 BEAARN CC(C)CO[C@H](C)C(=O)NCc1cccs1 ZINC000042381540 374268216 /nfs/dbraw/zinc/26/82/16/374268216.db2.gz CFSJFJNTJBQYFE-SNVBAGLBSA-N 0 0 241.356 2.425 50 0 BEAARN O=C(NCc1ccccc1)c1ccccc1O ZINC000003202026 182257106 /nfs/dbraw/zinc/25/71/06/182257106.db2.gz FVJQVTFCHRSIMH-UHFFFAOYSA-N 0 0 227.263 2.322 50 0 BEAARN O=C(NCc1ccccn1)Nc1ccccc1 ZINC000000390001 182258015 /nfs/dbraw/zinc/25/80/15/182258015.db2.gz VPUGNBWVJHYAQX-UHFFFAOYSA-N 0 0 227.267 2.403 50 0 BEAARN O=C(NCc1ccccn1)c1ccccc1F ZINC000000029733 182260052 /nfs/dbraw/zinc/26/00/52/182260052.db2.gz GEHYMFPMHXHNNR-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1cccnc1)c1ccc(F)cc1 ZINC000000299229 182260470 /nfs/dbraw/zinc/26/04/70/182260470.db2.gz JLNQHMSFPREYHU-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccco1)NC1CCCCC1 ZINC000000146727 182261478 /nfs/dbraw/zinc/26/14/78/182261478.db2.gz PNMBIDMHBXLQHM-UHFFFAOYSA-N 0 0 222.288 2.412 50 0 BEAARN O=C(NCc1ccco1)NCc1cccs1 ZINC000009874408 182261560 /nfs/dbraw/zinc/26/15/60/182261560.db2.gz KTLLAYGUMFWTSA-UHFFFAOYSA-N 0 0 236.296 2.341 50 0 BEAARN O=C(NCc1ccco1)Nc1nccs1 ZINC000044892211 182261712 /nfs/dbraw/zinc/26/17/12/182261712.db2.gz PVBNSYLJNMMTRQ-UHFFFAOYSA-N 0 0 223.257 2.058 50 0 BEAARN O=C(NCc1cscn1)N1CCCCCC1 ZINC000051749246 182270566 /nfs/dbraw/zinc/27/05/66/182270566.db2.gz ATRBUZUUXHMXQL-UHFFFAOYSA-N 0 0 239.344 2.229 50 0 BEAARN O=C(NO)Nc1cccc(C(F)(F)F)c1 ZINC000005249093 182280205 /nfs/dbraw/zinc/28/02/05/182280205.db2.gz RHKPLZXQOSKYAP-UHFFFAOYSA-N 0 0 220.150 2.216 50 0 BEAARN O=C(NO[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000058330488 182284631 /nfs/dbraw/zinc/28/46/31/182284631.db2.gz RRPYJEFYXYUWSC-NSHDSACASA-N 0 0 239.246 2.014 50 0 BEAARN CCCn1ncnc1-c1ccc2c(c1)OCCO2 ZINC000426575001 206050432 /nfs/dbraw/zinc/05/04/32/206050432.db2.gz KCQJZHGDFMAKOL-UHFFFAOYSA-N 0 0 245.282 2.126 50 0 BEAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc[nH]1 ZINC000071802307 182307617 /nfs/dbraw/zinc/30/76/17/182307617.db2.gz UGNNTZDRAXRCQF-LLVKDONJSA-N 0 0 242.278 2.268 50 0 BEAARN O=C(N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCO1 ZINC000031036687 182324683 /nfs/dbraw/zinc/32/46/83/182324683.db2.gz OVPSWWHKGXDZRQ-UONOGXRCSA-N 0 0 245.322 2.433 50 0 BEAARN O=C(Nc1ccc(-c2ccncc2)cn1)C1CC1 ZINC000049021678 182351675 /nfs/dbraw/zinc/35/16/75/182351675.db2.gz WWCUPKDDWGRSQN-UHFFFAOYSA-N 0 0 239.278 2.492 50 0 BEAARN O=C(Nc1ccc(Cl)cc1O)c1ccon1 ZINC000096484147 182354134 /nfs/dbraw/zinc/35/41/34/182354134.db2.gz OSYCUUZUJLQRSD-UHFFFAOYSA-N 0 0 238.630 2.286 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000006330060 182355910 /nfs/dbraw/zinc/35/59/10/182355910.db2.gz PWCCSBVGASZGNR-SNVBAGLBSA-N 0 0 227.210 2.082 50 0 BEAARN O=C(Nc1c(F)cccc1F)C(F)(F)F ZINC000000138487 182346494 /nfs/dbraw/zinc/34/64/94/182346494.db2.gz JZCNHJAYRJZQGO-UHFFFAOYSA-N 0 0 225.116 2.466 50 0 BEAARN O=C(Nc1ccc(F)cc1)c1cccnc1 ZINC000000029324 182356752 /nfs/dbraw/zinc/35/67/52/182356752.db2.gz SRPXJYRIMMGYIB-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1cc(F)ccc1F)c1ncccn1 ZINC000072437258 182349642 /nfs/dbraw/zinc/34/96/42/182349642.db2.gz SKGXGGMAAPKNIE-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1ccc(O)cc1)Nc1ccccn1 ZINC000169847295 182360275 /nfs/dbraw/zinc/36/02/75/182360275.db2.gz CWYCEOKLSIAWGL-UHFFFAOYSA-N 0 0 229.239 2.431 50 0 BEAARN O=C(Nc1ccc2c(c1)CCO2)c1ccccn1 ZINC000031343353 182363408 /nfs/dbraw/zinc/36/34/08/182363408.db2.gz WHAZLQSPFUGWRC-UHFFFAOYSA-N 0 0 240.262 2.269 50 0 BEAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCC1 ZINC000001053695 182363814 /nfs/dbraw/zinc/36/38/14/182363814.db2.gz MCQNJVTWBKYZCJ-UHFFFAOYSA-N 0 0 233.267 2.196 50 0 BEAARN O=C(Nc1ccc2c[nH]nc2c1)c1cccnc1 ZINC000004864743 182365938 /nfs/dbraw/zinc/36/59/38/182365938.db2.gz WRVIIUWTHZAHAV-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ccccc1)OC[C@@H]1CCCO1 ZINC000000296503 182377331 /nfs/dbraw/zinc/37/73/31/182377331.db2.gz KUEGIRDNEZTDSX-NSHDSACASA-N 0 0 221.256 2.414 50 0 BEAARN O=C(Nc1ccsc1)[C@@H]1CC1(F)F ZINC000294784515 182390431 /nfs/dbraw/zinc/39/04/31/182390431.db2.gz AHJGWQBWDQCOIK-LURJTMIESA-N 0 0 203.213 2.342 50 0 BEAARN O=C(Nc1cnc2ccnn2c1)[C@H]1CC=CCC1 ZINC000225574075 182392689 /nfs/dbraw/zinc/39/26/89/182392689.db2.gz KQJMVVUMSODGFA-JTQLQIEISA-N 0 0 242.282 2.024 50 0 BEAARN O=C(Nc1ccccc1O)C(F)(F)Cl ZINC000064370271 182380966 /nfs/dbraw/zinc/38/09/66/182380966.db2.gz AFUMLAZPVZEOFH-UHFFFAOYSA-N 0 0 221.590 2.162 50 0 BEAARN O=C(Nc1ccccn1)[C@@H]1CC=CCC1 ZINC000012538194 182381929 /nfs/dbraw/zinc/38/19/29/182381929.db2.gz YKSUCZHFZGUTOB-SNVBAGLBSA-N 0 0 202.257 2.376 50 0 BEAARN O=C(Nc1ccccn1)NC1CCCC1 ZINC000009874344 182381965 /nfs/dbraw/zinc/38/19/65/182381965.db2.gz IDNPMSBSLJQQEW-UHFFFAOYSA-N 0 0 205.261 2.146 50 0 BEAARN O=C(Nc1ccncc1)OCCc1ccccn1 ZINC000000067714 182386791 /nfs/dbraw/zinc/38/67/91/182386791.db2.gz OFUVMSGETKFUFN-UHFFFAOYSA-N 0 0 243.266 2.268 50 0 BEAARN O=C(Nc1ccncc1)c1ccsc1 ZINC000057536113 182387855 /nfs/dbraw/zinc/38/78/55/182387855.db2.gz KBGSSJWTSLWNLH-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 BEAARN O=C(Nc1ccncc1)c1ccccc1O ZINC000000072763 182388132 /nfs/dbraw/zinc/38/81/32/182388132.db2.gz GKAYVRHZMBVFMP-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1ccon1)c1c(F)cccc1F ZINC000013745736 182388652 /nfs/dbraw/zinc/38/86/52/182388652.db2.gz OPQPPRKDROYKDB-UHFFFAOYSA-N 0 0 224.166 2.205 50 0 BEAARN O=C(Nc1ccnnc1)N[C@@H]1CC12CCCCC2 ZINC000297454077 182388868 /nfs/dbraw/zinc/38/88/68/182388868.db2.gz QYVMJQVNYJBROA-LLVKDONJSA-N 0 0 246.314 2.321 50 0 BEAARN O=C(Nc1nc2c(s1)CCC2)c1ccccn1 ZINC000015636377 182398415 /nfs/dbraw/zinc/39/84/15/182398415.db2.gz CRHARWHALUXYJZ-UHFFFAOYSA-N 0 0 245.307 2.279 50 0 BEAARN O=C(Nc1nc[nH]n1)c1cc2ccccc2s1 ZINC000023142080 182398606 /nfs/dbraw/zinc/39/86/06/182398606.db2.gz VOMNALDHZUYLAN-UHFFFAOYSA-N 0 0 244.279 2.272 50 0 BEAARN O=C(Nc1nccs1)c1cc(Cl)ccn1 ZINC000005798209 182401886 /nfs/dbraw/zinc/40/18/86/182401886.db2.gz ZFNFLIUSQCZBFO-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=C(Nc1nnc(C2CCC2)[nH]1)c1ccsc1 ZINC000097136333 182396541 /nfs/dbraw/zinc/39/65/41/182396541.db2.gz WFWCPZPLJVYAFB-UHFFFAOYSA-N 0 0 248.311 2.386 50 0 BEAARN O=C(Nc1n[nH]c2ccccc21)c1cccnc1 ZINC000055351321 182396702 /nfs/dbraw/zinc/39/67/02/182396702.db2.gz USYDIQQURHEDOA-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1nnc(C2CCC2)[nH]1)c1cccs1 ZINC000170595251 182396728 /nfs/dbraw/zinc/39/67/28/182396728.db2.gz CTGXOBVRFIBJDG-UHFFFAOYSA-N 0 0 248.311 2.386 50 0 BEAARN CCOC(=O)C(C)(C)Oc1ccc(C)nc1 ZINC000091695856 170188055 /nfs/dbraw/zinc/18/80/55/170188055.db2.gz HJDNQNFFWYYOIG-UHFFFAOYSA-N 0 0 223.272 2.111 50 0 BEAARN O=C(OCc1ccccc1)N1C[C@H](F)[C@@H](F)C1 ZINC000098090340 182604843 /nfs/dbraw/zinc/60/48/43/182604843.db2.gz NCRXQCGIQTUUJZ-QWRGUYRKSA-N 0 0 241.237 2.315 50 0 BEAARN O=C(OCc1ccccc1)N1CCC[C@H](CO)C1 ZINC000000159023 182605315 /nfs/dbraw/zinc/60/53/15/182605315.db2.gz XLWOOUZKMJBINO-ZDUSSCGKSA-N 0 0 249.310 2.028 50 0 BEAARN O=C(c1ccc(Cl)nc1)C(F)(F)F ZINC000039055501 182659263 /nfs/dbraw/zinc/65/92/63/182659263.db2.gz SYPJJBWXFXEFFO-UHFFFAOYSA-N 0 0 209.554 2.480 50 0 BEAARN O=C(c1cncc(F)c1)N1Cc2ccccc2C1 ZINC000253472228 182700267 /nfs/dbraw/zinc/70/02/67/182700267.db2.gz KLERJXOGQJNYQT-UHFFFAOYSA-N 0 0 242.253 2.377 50 0 BEAARN O=C1CC[C@H](c2cccc(Cl)c2)CN1 ZINC000057496068 182753844 /nfs/dbraw/zinc/75/38/44/182753844.db2.gz HKDUFNVHBJHPCF-VIFPVBQESA-N 0 0 209.676 2.334 50 0 BEAARN O=C1CCNc2ccc(Br)cc21 ZINC000000226106 182744890 /nfs/dbraw/zinc/74/48/90/182744890.db2.gz WAFBCQPOMZIGTJ-UHFFFAOYSA-N 0 0 226.073 2.447 50 0 BEAARN O=C1CSCN1Cc1cccc(Cl)c1 ZINC000075251220 182770917 /nfs/dbraw/zinc/77/09/17/182770917.db2.gz DDZIZUGCYXINBK-UHFFFAOYSA-N 0 0 227.716 2.373 50 0 BEAARN O=C1NCCN1c1cccc(C(F)(F)F)c1 ZINC000001390637 182805075 /nfs/dbraw/zinc/80/50/75/182805075.db2.gz UETRQBHZYSRHHM-UHFFFAOYSA-N 0 0 230.189 2.235 50 0 BEAARN O=C1c2ccccc2-c2nc3ccccc3c(=O)n21 ZINC000000366013 182844669 /nfs/dbraw/zinc/84/46/69/182844669.db2.gz KYRHFTTYGXVIOH-UHFFFAOYSA-N 0 0 248.241 2.065 50 0 biogenic BEAARN O=C1c2ccccc2CCc2cccnc21 ZINC000005934826 182845376 /nfs/dbraw/zinc/84/53/76/182845376.db2.gz PDPKDRIXAIQZAV-UHFFFAOYSA-N 0 0 209.248 2.411 50 0 BEAARN O=C1Nc2ccccc2Oc2ncccc21 ZINC000006476274 182825661 /nfs/dbraw/zinc/82/56/61/182825661.db2.gz SMKXEJRITQTCCL-UHFFFAOYSA-N 0 0 212.208 2.440 50 0 BEAARN O=C1OCC2=C1C=Cc1ccccc1CC2 ZINC000019878394 182827351 /nfs/dbraw/zinc/82/73/51/182827351.db2.gz OEOSFTJVUKAMQI-UHFFFAOYSA-N 0 0 212.248 2.499 50 0 BEAARN CCOC(=O)c1nc(C(F)(F)F)cs1 ZINC000038540423 170306456 /nfs/dbraw/zinc/30/64/56/170306456.db2.gz PSTFYCCCZHOTHW-UHFFFAOYSA-N 0 0 225.191 2.339 50 0 BEAARN O=Cc1cc2c(Br)cc[nH]c-2n1 ZINC000082361007 182863278 /nfs/dbraw/zinc/86/32/78/182863278.db2.gz MBPNCAYAHPWILN-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN O=Cc1ccc(OCc2ccccc2)nc1 ZINC000071250495 182868385 /nfs/dbraw/zinc/86/83/85/182868385.db2.gz BBTGUOBUBJNAGS-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN O=Cc1cccc(OC(F)(F)F)c1O ZINC000002510731 182871452 /nfs/dbraw/zinc/87/14/52/182871452.db2.gz QKIITUNJEPEAIC-UHFFFAOYSA-N 0 0 206.119 2.103 50 0 BEAARN O=Cc1cccc(Oc2ncccn2)c1 ZINC000000166373 182871601 /nfs/dbraw/zinc/87/16/01/182871601.db2.gz DWRSRAYKUJFONM-UHFFFAOYSA-N 0 0 200.197 2.081 50 0 BEAARN O=Cc1cnc(Br)cc1Cl ZINC000077011323 182874652 /nfs/dbraw/zinc/87/46/52/182874652.db2.gz IIBVGXCUNFIUJO-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN O=Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000037974116 182875453 /nfs/dbraw/zinc/87/54/53/182875453.db2.gz XZGUSPBBCYKJOX-UHFFFAOYSA-N 0 0 233.248 2.351 50 0 BEAARN O=S1(=O)Cc2cc3ccccc3cc2C1 ZINC000001020196 182915631 /nfs/dbraw/zinc/91/56/31/182915631.db2.gz GVRKIZJTWOAMRZ-UHFFFAOYSA-N 0 0 218.277 2.268 50 0 BEAARN CCCCS[C@H](C)C(=O)N[C@@H](C)CCCO ZINC000079095196 168933287 /nfs/dbraw/zinc/93/32/87/168933287.db2.gz YWEXSDCGVKLIMP-WDEREUQCSA-N 0 0 247.404 2.185 50 0 BEAARN O=c1ccc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000026420412 182998796 /nfs/dbraw/zinc/99/87/96/182998796.db2.gz YEBBWXGZJQAPLH-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN O=c1ccc(F)cn1Cc1cccc(F)c1F ZINC000190745274 183000136 /nfs/dbraw/zinc/00/01/36/183000136.db2.gz XKTBZLZJZBVMBH-UHFFFAOYSA-N 0 0 239.196 2.314 50 0 BEAARN O=c1ccc2ccc(F)c(Br)c2[nH]1 ZINC000082046910 183001498 /nfs/dbraw/zinc/00/14/98/183001498.db2.gz ZFVLXWUHSUHDGG-UHFFFAOYSA-N 0 0 242.047 2.430 50 0 BEAARN O=c1ccccn1Cc1ccc(F)cc1 ZINC000040464715 183002445 /nfs/dbraw/zinc/00/24/45/183002445.db2.gz UPVYWBFZWOVCFA-UHFFFAOYSA-N 0 0 203.216 2.036 50 0 BEAARN O=c1ccnc(Nc2ccc(Cl)cc2)[nH]1 ZINC000008613703 183004767 /nfs/dbraw/zinc/00/47/67/183004767.db2.gz MEUBCTJJRTXLLI-UHFFFAOYSA-N 0 0 221.647 2.167 50 0 BEAARN O=c1ccnc(SCc2ccccc2)[nH]1 ZINC000017946264 183005053 /nfs/dbraw/zinc/00/50/53/183005053.db2.gz XLYQVVDCFZRIJB-UHFFFAOYSA-N 0 0 218.281 2.062 50 0 BEAARN OC1(c2cccc(Br)n2)CCC1 ZINC000098180525 183023237 /nfs/dbraw/zinc/02/32/37/183023237.db2.gz CPISFJLSPYBUHT-UHFFFAOYSA-N 0 0 228.089 2.216 50 0 BEAARN O=C1CS[C@H](c2ccncc2)c2c[nH]nc2N1 ZINC000020721074 183025796 /nfs/dbraw/zinc/02/57/96/183025796.db2.gz KAMBEVHECMHMDU-SNVBAGLBSA-N 0 0 246.295 2.229 50 0 BEAARN OCC1(c2ccc(Br)cc2)CC1 ZINC000044136082 183040086 /nfs/dbraw/zinc/04/00/86/183040086.db2.gz CRMJCMNWILCLLN-UHFFFAOYSA-N 0 0 227.101 2.473 50 0 in-vitro BEAARN OCCCc1ccc(Br)cc1 ZINC000019729361 183063844 /nfs/dbraw/zinc/06/38/44/183063844.db2.gz WODKXGCVVOOEIJ-UHFFFAOYSA-N 0 0 215.090 2.374 50 0 BEAARN OCCCc1nc2[nH]ccc2cc1Cl ZINC000066054443 183064880 /nfs/dbraw/zinc/06/48/80/183064880.db2.gz LPKSWWIWQJWZCZ-UHFFFAOYSA-N 0 0 210.664 2.141 50 0 BEAARN OCCOc1ccccc1OCC1CCC1 ZINC000095435649 183088143 /nfs/dbraw/zinc/08/81/43/183088143.db2.gz FKHNEGJMWYAYOT-UHFFFAOYSA-N 0 0 222.284 2.237 50 0 BEAARN OCCOc1ccc(Cl)cc1Cl ZINC000001555519 183088202 /nfs/dbraw/zinc/08/82/02/183088202.db2.gz PCCMNBRZMKANQD-UHFFFAOYSA-N 0 0 207.056 2.365 50 0 BEAARN OCC[C@H](NCC(F)(F)F)c1ccccc1 ZINC000096490932 183096935 /nfs/dbraw/zinc/09/69/35/183096935.db2.gz FTZHVDMTIAEKKT-JTQLQIEISA-N 0 0 233.233 2.262 50 0 BEAARN OC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000126984 183112950 /nfs/dbraw/zinc/11/29/50/183112950.db2.gz STXSVTXDTSELFT-NSHDSACASA-N 0 0 241.290 2.148 50 0 BEAARN OCCc1ccc(C(F)(F)F)cc1F ZINC000039713000 183100829 /nfs/dbraw/zinc/10/08/29/183100829.db2.gz ZZPFABXJRPFKOI-UHFFFAOYSA-N 0 0 208.154 2.379 50 0 BEAARN OCCc1ccc(Br)cc1F ZINC000078434608 183100847 /nfs/dbraw/zinc/10/08/47/183100847.db2.gz ATAZLKFXFGKSGH-UHFFFAOYSA-N 0 0 219.053 2.123 50 0 BEAARN OCCc1nc(-c2ccccc2)cs1 ZINC000001442643 183101885 /nfs/dbraw/zinc/10/18/85/183101885.db2.gz QGFOTYNEYWHIAV-UHFFFAOYSA-N 0 0 205.282 2.345 50 0 BEAARN CCCC[C@H](CC)[C@H]1OC(=O)[C@H](C)O1 ZINC000016998669 169001508 /nfs/dbraw/zinc/00/15/08/169001508.db2.gz OXGGCDPISRUOIL-ATZCPNFKSA-N 0 0 200.278 2.491 50 0 BEAARN OC[C@@]1(F)CCCN(Cc2cccs2)C1 ZINC000287029074 183134919 /nfs/dbraw/zinc/13/49/19/183134919.db2.gz SFTHLLXMWAKYNH-LLVKDONJSA-N 0 0 229.320 2.045 50 0 BEAARN CCCCc1ccc(NC(=S)NN)cc1 ZINC000003269711 169021547 /nfs/dbraw/zinc/02/15/47/169021547.db2.gz LSTINUWHSDZHIK-UHFFFAOYSA-N 0 0 223.345 2.189 50 0 BEAARN OC[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000000209449 183150310 /nfs/dbraw/zinc/15/03/10/183150310.db2.gz GRWAECMWJVSXIQ-JTQLQIEISA-N 0 0 241.281 2.169 50 0 BEAARN CCCCn1c2c(c(=S)[nH]c1=O)CCC2 ZINC000008737546 169035510 /nfs/dbraw/zinc/03/55/10/169035510.db2.gz YCSQHSKIGUOGGG-UHFFFAOYSA-N 0 0 224.329 2.195 50 0 BEAARN OC[C@]1(NCc2ccco2)CCc2ccccc21 ZINC000096483074 183158927 /nfs/dbraw/zinc/15/89/27/183158927.db2.gz CAMDWOBSWPTLLR-OAHLLOKOSA-N 0 0 243.306 2.203 50 0 BEAARN CCCCn1nnc2c1c1ccccc1oc2=O ZINC000002477450 169041393 /nfs/dbraw/zinc/04/13/93/169041393.db2.gz FKMPKVJKXUJIAX-UHFFFAOYSA-N 0 0 243.266 2.338 50 0 BEAARN OCc1cc2cc(-c3cc[nH]n3)ccc2[nH]1 ZINC000067983453 183161387 /nfs/dbraw/zinc/16/13/87/183161387.db2.gz QDKTVERSHRYDID-UHFFFAOYSA-N 0 0 213.240 2.050 50 0 BEAARN OCc1cc(F)cc(OC(F)(F)F)c1 ZINC000091251977 183161412 /nfs/dbraw/zinc/16/14/12/183161412.db2.gz WJTUZFGGSZDUKV-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN OCc1ccc(F)c(Br)c1 ZINC000002512423 183164338 /nfs/dbraw/zinc/16/43/38/183164338.db2.gz HNVVROFWONXXGO-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN O[C@@H](Cc1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000000402007 183183473 /nfs/dbraw/zinc/18/34/73/183183473.db2.gz JCMRRROPOPSQLE-HOTGVXAUSA-N 0 0 242.318 2.194 50 0 BEAARN O[C@@H](Cc1ccc(F)cc1)C(F)(F)F ZINC000061893940 183183695 /nfs/dbraw/zinc/18/36/95/183183695.db2.gz NNHSNLBBGIBVDH-QMMMGPOBSA-N 0 0 208.154 2.291 50 0 BEAARN OCc1csc(-c2cccc(F)c2)n1 ZINC000082048405 183170661 /nfs/dbraw/zinc/17/06/61/183170661.db2.gz POHIWRXGBCMZCN-UHFFFAOYSA-N 0 0 209.245 2.442 50 0 BEAARN O[C@@H](Cn1cc(Cl)cn1)C1CCCCC1 ZINC000191359333 183184899 /nfs/dbraw/zinc/18/48/99/183184899.db2.gz DASXBEMUHZZXOL-NSHDSACASA-N 0 0 228.723 2.478 50 0 BEAARN O[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000021983384 183186719 /nfs/dbraw/zinc/18/67/19/183186719.db2.gz DKEGHLJMSDFYLF-GFCCVEGCSA-N 0 0 203.216 2.302 50 0 BEAARN CCCN(C)Cc1nc(CC(C)C)no1 ZINC000058162304 169081951 /nfs/dbraw/zinc/08/19/51/169081951.db2.gz HWXKHMOTQPTHAC-UHFFFAOYSA-N 0 0 211.309 2.110 50 0 BEAARN O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 ZINC000005117201 183228270 /nfs/dbraw/zinc/22/82/70/183228270.db2.gz HMMMTSXSWRPUOJ-LLVKDONJSA-N 0 0 222.675 2.270 50 0 BEAARN O[C@]1(C(F)(F)F)CC(c2cccs2)=NO1 ZINC000000170931 183250342 /nfs/dbraw/zinc/25/03/42/183250342.db2.gz WJPBGIHUZWQXOV-SSDOTTSWSA-N 0 0 237.202 2.123 50 0 BEAARN O[C@H]1CCCC[C@@H]1Nc1cnc2ccccc2n1 ZINC000052017662 183232890 /nfs/dbraw/zinc/23/28/90/183232890.db2.gz FOZZXLCUKUDMOT-STQMWFEESA-N 0 0 243.310 2.345 50 0 BEAARN Oc1ccc(CCc2ncccc2O)cc1 ZINC000000186970 183269532 /nfs/dbraw/zinc/26/95/32/183269532.db2.gz HIVDAKFBUYFQNR-UHFFFAOYSA-N 0 0 215.252 2.278 50 0 BEAARN O=c1cc(C(F)(F)F)nc(-c2ccccn2)[nH]1 ZINC000008616542 183257003 /nfs/dbraw/zinc/25/70/03/183257003.db2.gz RZQQQWUVWWVDCN-UHFFFAOYSA-N 0 0 241.172 2.263 50 0 BEAARN O=c1cc(Br)cc2[nH][nH]cc1-2 ZINC000014983072 183257196 /nfs/dbraw/zinc/25/71/96/183257196.db2.gz WJIKHAYEKFPYDN-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN CCCN(CCC)C(=O)c1ccncc1 ZINC000000394189 169145942 /nfs/dbraw/zinc/14/59/42/169145942.db2.gz TXSPAKVJSBQZQE-UHFFFAOYSA-N 0 0 206.289 2.344 50 0 BEAARN Oc1ccccc1-c1nnc(-c2ccncc2)[nH]1 ZINC000005998592 183300423 /nfs/dbraw/zinc/30/04/23/183300423.db2.gz XMWNZGGMCFTLNW-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN Oc1ccccc1NCc1ccccn1 ZINC000034411048 183303315 /nfs/dbraw/zinc/30/33/15/183303315.db2.gz GXJRVWZNMZGWAQ-UHFFFAOYSA-N 0 0 200.241 2.399 50 0 in-vitro BEAARN S=c1[nH]ccn1-c1ccc2c(c1)OCO2 ZINC000012375231 183314803 /nfs/dbraw/zinc/31/48/03/183314803.db2.gz XWFMSJPCIMBVQD-UHFFFAOYSA-N 0 0 220.253 2.264 50 0 BEAARN CCCN1C(=O)C2=C(CCCC2)[C@H]1OC ZINC000020123840 169183940 /nfs/dbraw/zinc/18/39/40/169183940.db2.gz PEWRBKAQTIGIQA-GFCCVEGCSA-N 0 0 209.289 2.082 50 0 BEAARN [O-][n+]1ccc(/C=C/c2ccc(O)cc2)cc1 ZINC000000171637 183318685 /nfs/dbraw/zinc/31/86/85/183318685.db2.gz OYCAQPBWOGXXQU-OWOJBTEDSA-N 0 0 213.236 2.196 50 0 biogenic BEAARN O=c1[nH]c(C(F)(F)F)nc2c(F)cccc12 ZINC000096345692 183307445 /nfs/dbraw/zinc/30/74/45/183307445.db2.gz JLHKKOVPARGDMY-UHFFFAOYSA-N 0 0 232.136 2.493 50 0 BEAARN O=c1[nH]c(C(F)F)nc2ccc(F)cc21 ZINC000238860567 183308293 /nfs/dbraw/zinc/30/82/93/183308293.db2.gz ZZYDQVYUIFTGQM-UHFFFAOYSA-N 0 0 214.146 2.412 50 0 BEAARN S=C(NCc1cccc(Cl)c1)NC1CC1 ZINC000006332874 183310991 /nfs/dbraw/zinc/31/09/91/183310991.db2.gz QXFYKPAFOSKPGP-UHFFFAOYSA-N 0 0 240.759 2.467 50 0 BEAARN S=C1N[C@@H](Cc2ccccc2)CS1 ZINC000012650485 183312583 /nfs/dbraw/zinc/31/25/83/183312583.db2.gz SLDUGQISGRPGAW-VIFPVBQESA-N 0 0 209.339 2.219 50 0 BEAARN CCCNC(=O)CSCC1CCCC1 ZINC000097138560 169232045 /nfs/dbraw/zinc/23/20/45/169232045.db2.gz JUBDXPJAUBJUHI-UHFFFAOYSA-N 0 0 215.362 2.436 50 0 BEAARN CCCNC(=O)C[C@@H]1OCCc2ccsc21 ZINC000084756437 169232556 /nfs/dbraw/zinc/23/25/56/169232556.db2.gz JMKFDONXNAUMRC-JTQLQIEISA-N 0 0 239.340 2.278 50 0 BEAARN c1cc(CN2CCO[C@H]3CCCC[C@H]32)ccn1 ZINC000246213738 183346233 /nfs/dbraw/zinc/34/62/33/183346233.db2.gz YCSMPAGHWBMOIM-KGLIPLIRSA-N 0 0 232.327 2.225 50 0 BEAARN CCCN1Cc2cc(Cl)ccc2OCC1=O ZINC000065184353 169211270 /nfs/dbraw/zinc/21/12/70/169211270.db2.gz LWMVPCLLRZHDOW-UHFFFAOYSA-N 0 0 239.702 2.471 50 0 BEAARN CCCNC(=O)/C=C\c1ccc(F)cc1 ZINC000035131383 169212890 /nfs/dbraw/zinc/21/28/90/169212890.db2.gz LGLBBQPSBYTHEO-YVMONPNESA-N 0 0 207.248 2.365 50 0 BEAARN c1nc2c(ncnc2SCc2ccncc2)[nH]1 ZINC000004769950 183355218 /nfs/dbraw/zinc/35/52/18/183355218.db2.gz RRVUXHSNKGVUPF-UHFFFAOYSA-N 0 0 243.295 2.040 50 0 in-vitro BEAARN c1cc(CNc2nnc3n2CCCC3)cs1 ZINC000159060825 183355585 /nfs/dbraw/zinc/35/55/85/183355585.db2.gz FTXNMUGMFZUUTJ-UHFFFAOYSA-N 0 0 234.328 2.288 50 0 BEAARN CCCNC(=S)NCc1ccc(F)cc1 ZINC000013814254 169254007 /nfs/dbraw/zinc/25/40/07/169254007.db2.gz VRGQDZOYILJMFM-UHFFFAOYSA-N 0 0 226.320 2.200 50 0 BEAARN CCCNC(=S)Nc1ccc(O)cc1 ZINC000002154889 169254922 /nfs/dbraw/zinc/25/49/22/169254922.db2.gz NQEHXPPWIZNOQF-UHFFFAOYSA-N 0 0 210.302 2.089 50 0 BEAARN CCCNC(=O)N1CCc2ccccc2C1 ZINC000005193643 169235776 /nfs/dbraw/zinc/23/57/76/169235776.db2.gz JORKKSUCVHWJBE-UHFFFAOYSA-N 0 0 218.300 2.164 50 0 BEAARN c1cn2c(-c3ccccc3)cnc2s1 ZINC000000343112 183378763 /nfs/dbraw/zinc/37/87/63/183378763.db2.gz MNSSELMYIOTNPQ-UHFFFAOYSA-O 0 0 201.274 2.482 50 0 BEAARN CCCNC(=O)[C@@H](CC)Oc1ccccc1 ZINC000004696105 169243968 /nfs/dbraw/zinc/24/39/68/169243968.db2.gz FMTQZZBRSZJVCD-GFCCVEGCSA-N 0 0 221.300 2.370 50 0 BEAARN c1cc(-c2ccccc2)oc1CNn1cnnc1 ZINC000007602122 183380052 /nfs/dbraw/zinc/38/00/52/183380052.db2.gz ROWIFILKGWOEHV-UHFFFAOYSA-N 0 0 240.266 2.282 50 0 BEAARN c1nnnn1-c1ccccc1-c1ccccc1 ZINC000000170711 183380843 /nfs/dbraw/zinc/38/08/43/183380843.db2.gz XQXBAUAPLJWFQS-UHFFFAOYSA-N 0 0 222.251 2.329 50 0 BEAARN c1ccc(-c2ncnc3nc4n(c32)CCC4)cc1 ZINC000000212608 183383272 /nfs/dbraw/zinc/38/32/72/183383272.db2.gz KFBYWUJCHZRDQH-UHFFFAOYSA-N 0 0 236.278 2.440 50 0 BEAARN c1ccc(-c2noc(NC3CC3)n2)cc1 ZINC000021629636 183384632 /nfs/dbraw/zinc/38/46/32/183384632.db2.gz NTPWEESCRMRYGF-UHFFFAOYSA-N 0 0 201.229 2.311 50 0 BEAARN c1cc(-c2nc(-c3ccccn3)no2)co1 ZINC000089884663 183384959 /nfs/dbraw/zinc/38/49/59/183384959.db2.gz HFJCGOZFXPGCAP-UHFFFAOYSA-N 0 0 213.196 2.392 50 0 BEAARN c1nc(-c2nc(-c3ccccn3)no2)cs1 ZINC000078773856 183384983 /nfs/dbraw/zinc/38/49/83/183384983.db2.gz RVLIBHIGHGGZRR-UHFFFAOYSA-N 0 0 230.252 2.255 50 0 BEAARN CCCNC(=O)c1c(N)sc2c1CCCC2 ZINC000100102699 169249572 /nfs/dbraw/zinc/24/95/72/169249572.db2.gz ZLCUOPHISIDURH-UHFFFAOYSA-N 0 0 238.356 2.349 50 0 BEAARN CCCNC(=O)c1cc(-c2ccccc2)on1 ZINC000002877301 169249759 /nfs/dbraw/zinc/24/97/59/169249759.db2.gz BNMORIDRNBJMEI-UHFFFAOYSA-N 0 0 230.267 2.481 50 0 BEAARN CCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000025425828 169250101 /nfs/dbraw/zinc/25/01/01/169250101.db2.gz XUJFXBUAGQUXFS-LLVKDONJSA-N 0 0 239.702 2.170 50 0 BEAARN CCCNC(=O)c1ccc(CSC)o1 ZINC000040459994 169251412 /nfs/dbraw/zinc/25/14/12/169251412.db2.gz CNUOFOFHWWMMOR-UHFFFAOYSA-N 0 0 213.302 2.282 50 0 BEAARN CCCNC(=O)c1cccc2ncccc21 ZINC000014264623 169252487 /nfs/dbraw/zinc/25/24/87/169252487.db2.gz WXVWXQBNTMLUOK-UHFFFAOYSA-N 0 0 214.268 2.375 50 0 BEAARN CCCNC(=O)c1ccc2c(ccn2C)c1 ZINC000064551694 169252652 /nfs/dbraw/zinc/25/26/52/169252652.db2.gz JZVUIAIGZKIAOC-UHFFFAOYSA-N 0 0 216.284 2.318 50 0 BEAARN c1nnc(NCCc2ccccc2)s1 ZINC000069965716 183395422 /nfs/dbraw/zinc/39/54/22/183395422.db2.gz SYVVCYYVLFHSMR-UHFFFAOYSA-N 0 0 205.286 2.193 50 0 BEAARN CCCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000014291486 169270356 /nfs/dbraw/zinc/27/03/56/169270356.db2.gz UCEAQDACAUGNQD-UHFFFAOYSA-N 0 0 247.747 2.169 50 0 BEAARN CCCOC(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC000065214498 169298094 /nfs/dbraw/zinc/29/80/94/169298094.db2.gz HIDJQESIAANEBG-UHFFFAOYSA-N 0 0 245.319 2.243 50 0 BEAARN CCCOC1=CC(=O)N(c2ccc(OC)cc2)C1 ZINC000227163628 169301852 /nfs/dbraw/zinc/30/18/52/169301852.db2.gz RBRWCPDFWMKCDU-UHFFFAOYSA-N 0 0 247.294 2.352 50 0 BEAARN CCCOCCOc1ccc(F)cc1N ZINC000014629868 169309977 /nfs/dbraw/zinc/30/99/77/169309977.db2.gz VDQFENSJECUEHZ-UHFFFAOYSA-N 0 0 213.252 2.213 50 0 BEAARN CCCNc1nc2c(cnn2C)c(NC(C)C)n1 ZINC000021929634 169296018 /nfs/dbraw/zinc/29/60/18/169296018.db2.gz KHMFXSCOFZALLB-UHFFFAOYSA-N 0 0 248.334 2.006 50 0 BEAARN CCCNc1ncc(Br)cc1N ZINC000036226283 169296421 /nfs/dbraw/zinc/29/64/21/169296421.db2.gz BPJYIFMRLCBFPG-UHFFFAOYSA-N 0 0 230.109 2.248 50 0 BEAARN CCCSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000011903486 169341995 /nfs/dbraw/zinc/34/19/95/169341995.db2.gz QLMUHQMRJZXVBW-UHFFFAOYSA-N 0 0 224.329 2.151 50 0 BEAARN CCCOc1ccc(CO)cc1-c1cncnc1 ZINC000032551016 169319281 /nfs/dbraw/zinc/31/92/81/169319281.db2.gz JFGZLGPBGAPWKZ-UHFFFAOYSA-N 0 0 244.294 2.425 50 0 BEAARN CCCOc1ccc(Nc2nccc(=O)[nH]2)cc1 ZINC000011991428 169319759 /nfs/dbraw/zinc/31/97/59/169319759.db2.gz YXJGBNKISBUTCT-UHFFFAOYSA-N 0 0 245.282 2.302 50 0 BEAARN CCCOc1ccc([C@@H](C)NC=O)cc1 ZINC000036665001 169320814 /nfs/dbraw/zinc/32/08/14/169320814.db2.gz AQJAKCGUYKMZFO-SNVBAGLBSA-N 0 0 207.273 2.282 50 0 BEAARN CCCOc1nccc(Br)n1 ZINC000044117974 169327928 /nfs/dbraw/zinc/32/79/28/169327928.db2.gz BWZYWSCFMSUIBV-UHFFFAOYSA-N 0 0 217.066 2.028 50 0 BEAARN CCCOc1ccccc1[C@H](C)NC=O ZINC000036562489 169328196 /nfs/dbraw/zinc/32/81/96/169328196.db2.gz ITVOOKSWYVGJFF-JTQLQIEISA-N 0 0 207.273 2.282 50 0 BEAARN CCCS(=O)(=O)N1CCC2(C1)CCCCC2 ZINC000095402907 169330637 /nfs/dbraw/zinc/33/06/37/169330637.db2.gz USIWRJNMUCREMA-UHFFFAOYSA-N 0 0 245.388 2.382 50 0 BEAARN CCCSCC(=O)N[C@@H](C)c1ccccn1 ZINC000048678670 169337431 /nfs/dbraw/zinc/33/74/31/169337431.db2.gz GESZTCKHDOZGGH-JTQLQIEISA-N 0 0 238.356 2.402 50 0 BEAARN c1cnc(N[C@@H]2CCOC3(CCCC3)C2)cn1 ZINC000095970856 183483543 /nfs/dbraw/zinc/48/35/43/183483543.db2.gz IIJRVOMVFSFVIT-LLVKDONJSA-N 0 0 233.315 2.380 50 0 BEAARN CCC[C@@H](C)NC(=O)[C@H]1COc2ccccc2O1 ZINC000000562987 169368566 /nfs/dbraw/zinc/36/85/66/169368566.db2.gz JWRKAQPOAMYJPL-ZWNOBZJWSA-N 0 0 249.310 2.131 50 0 BEAARN c1ccn(-c2nc3cccnc3s2)c1 ZINC000000128799 183488274 /nfs/dbraw/zinc/48/82/74/183488274.db2.gz WNVQWDKVICNGMG-UHFFFAOYSA-N 0 0 201.254 2.482 50 0 BEAARN CCC[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000000456364 169353034 /nfs/dbraw/zinc/35/30/34/169353034.db2.gz ZUMVJVOSFRPLKR-SECBINFHSA-N 0 0 234.299 2.160 50 0 BEAARN c1cc(-c2noc(-c3cnccn3)n2)cs1 ZINC000078773666 183476960 /nfs/dbraw/zinc/47/69/60/183476960.db2.gz AJLZYXJKNGNVIU-UHFFFAOYSA-N 0 0 230.252 2.255 50 0 BEAARN c1cnn(CCc2ncnn2C2CCCCC2)c1 ZINC000091646125 183501420 /nfs/dbraw/zinc/50/14/20/183501420.db2.gz ZTBDKEUCRCEYOD-UHFFFAOYSA-N 0 0 245.330 2.223 50 0 BEAARN CCC[C@H]1OC(=O)C(C)(C)C(=O)[C@H]1CC ZINC000000226607 169540073 /nfs/dbraw/zinc/54/00/73/169540073.db2.gz BSGWAKRNHQWCMF-DTWKUNHWSA-N 0 0 212.289 2.333 50 0 BEAARN CC(C)(C)S(=O)(=O)c1ccsc1 ZINC000000185184 166688075 /nfs/dbraw/zinc/68/80/75/166688075.db2.gz TYDVZGWWUBQJBL-UHFFFAOYSA-N 0 0 204.316 2.320 50 0 BEAARN CCCn1c2ccc(NC(=O)CC)cc2oc1=O ZINC000046009946 169611327 /nfs/dbraw/zinc/61/13/27/169611327.db2.gz RIGCKBQLCIATLM-UHFFFAOYSA-N 0 0 248.282 2.353 50 0 BEAARN CCN(C(=O)C1=Cc2ccccc2OC1)C1CC1 ZINC000032760932 169630922 /nfs/dbraw/zinc/63/09/22/169630922.db2.gz GMRDOUQMERDTKQ-UHFFFAOYSA-N 0 0 243.306 2.473 50 0 BEAARN CCN(CCO)C(=O)CCC1CCCCC1 ZINC000037854148 169847863 /nfs/dbraw/zinc/84/78/63/169847863.db2.gz SSJHBUXMPLCBMA-UHFFFAOYSA-N 0 0 227.348 2.188 50 0 BEAARN CCN(C(=O)c1cccnc1)c1cccnc1C ZINC000253432648 169659639 /nfs/dbraw/zinc/65/96/39/169659639.db2.gz MEECPYFCFKLDDJ-UHFFFAOYSA-N 0 0 241.294 2.452 50 0 BEAARN CC(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000000035855 383819545 /nfs/dbraw/zinc/81/95/45/383819545.db2.gz QJIHIZOVLAWHFM-UHFFFAOYSA-N 0 0 231.173 2.390 50 0 BEAARN O=C(Nc1nccs1)c1cccs1 ZINC000000039652 383820002 /nfs/dbraw/zinc/82/00/02/383820002.db2.gz ZJMXIXDFMLCWHZ-UHFFFAOYSA-N 0 0 210.283 2.457 50 0 BEAARN CC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000000035859 383820037 /nfs/dbraw/zinc/82/00/37/383820037.db2.gz LORAACNFGHERHZ-UHFFFAOYSA-N 0 0 203.241 2.238 50 0 BEAARN CC(=O)n1c(=O)sc2cccc(Cl)c21 ZINC000000039764 383820107 /nfs/dbraw/zinc/82/01/07/383820107.db2.gz MVNVWGOXNXIJNV-UHFFFAOYSA-N 0 0 227.672 2.377 50 0 BEAARN O=S(=O)(CCc1ccncc1)c1ccccc1 ZINC000000055250 383822085 /nfs/dbraw/zinc/82/20/85/383822085.db2.gz RDYRANKGZNQOQA-UHFFFAOYSA-N 0 0 247.319 2.098 50 0 BEAARN Cc1cccc(/C=C\C(=O)NC2=NCCS2)c1 ZINC000096602538 383822283 /nfs/dbraw/zinc/82/22/83/383822283.db2.gz LZWRFWCOMJSHTN-WAYWQWQTSA-N 0 0 246.335 2.227 50 0 BEAARN O=C([O-])C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000000168426 383837943 /nfs/dbraw/zinc/83/79/43/383837943.db2.gz LEPXIYAGAGJNQC-UHFFFAOYSA-N 0 0 237.274 2.122 50 0 BEAARN FC(F)(F)c1ccc(-n2ccnc2)nc1 ZINC000000169762 383838606 /nfs/dbraw/zinc/83/86/06/383838606.db2.gz BEHWGLUHEGUQRD-UHFFFAOYSA-N 0 0 213.162 2.286 50 0 BEAARN Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000000193399 383842821 /nfs/dbraw/zinc/84/28/21/383842821.db2.gz JHSPMGLZUKMLBE-UHFFFAOYSA-N 0 0 241.703 2.353 50 0 BEAARN O=Cc1c2cc[nH]c2ncc1C(F)(F)F ZINC000066054331 383844639 /nfs/dbraw/zinc/84/46/39/383844639.db2.gz NZIOEGPYGBYZAP-UHFFFAOYSA-N 0 0 214.146 2.394 50 0 BEAARN C[C@H]1SC2(NC1=O)C1CC3CC(C1)CC2C3 ZINC000000244175 383848377 /nfs/dbraw/zinc/84/83/77/383848377.db2.gz GJBVZWMAFHSDEV-GWEYIZNRSA-N 0 0 237.368 2.390 50 0 BEAARN O=C1c2ccc(F)cc2C(=O)N1c1cccnc1 ZINC000000246846 383848943 /nfs/dbraw/zinc/84/89/43/383848943.db2.gz BHOQDBKPOVZVDK-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN O=Cc1sccc1I ZINC000000334394 383855655 /nfs/dbraw/zinc/85/56/55/383855655.db2.gz PRIIWJLXEOFRPP-UHFFFAOYSA-N 0 0 238.049 2.165 50 0 BEAARN CCC[C@@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345811 383857029 /nfs/dbraw/zinc/85/70/29/383857029.db2.gz CUTUPAFHGKKFBU-VXGBXAGGSA-N 0 0 247.294 2.357 50 0 BEAARN COC(=O)c1[nH]cc(-c2cccc(F)c2)c1N ZINC000035462728 383859818 /nfs/dbraw/zinc/85/98/18/383859818.db2.gz LYNFTFXCTKQADX-UHFFFAOYSA-N 0 0 234.230 2.190 50 0 BEAARN Cc1ccc(C)c(OC(=O)c2ccc(=O)oc2)c1 ZINC000000362707 383859958 /nfs/dbraw/zinc/85/99/58/383859958.db2.gz HZKXNDBEBCFQHL-UHFFFAOYSA-N 0 0 244.246 2.476 50 0 BEAARN c1ccc(CN2CCc3nnsc3C2)cc1 ZINC000000385845 383860648 /nfs/dbraw/zinc/86/06/48/383860648.db2.gz BBTICLGMNSWLFV-UHFFFAOYSA-N 0 0 231.324 2.096 50 0 BEAARN Nc1ncnc(Cl)c1-c1ccccc1 ZINC000000391705 383861272 /nfs/dbraw/zinc/86/12/72/383861272.db2.gz SLTKLMFYACILQM-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN O=S(=O)(Cc1ccccc1)c1ccco1 ZINC000000390459 383862328 /nfs/dbraw/zinc/86/23/28/383862328.db2.gz CRSLXDYDWOGZHN-UHFFFAOYSA-N 0 0 222.265 2.254 50 0 BEAARN CC(=O)N1CC[C@H](Cc2ncc(C)n2C(C)C)C1 ZINC000257180729 383862597 /nfs/dbraw/zinc/86/25/97/383862597.db2.gz LMRLRECTJTXEEZ-CYBMUJFWSA-N 0 0 249.358 2.183 50 0 BEAARN CC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000000443251 383869149 /nfs/dbraw/zinc/86/91/49/383869149.db2.gz GWDJHHFMPSBOKF-UHFFFAOYSA-N 0 0 246.262 2.378 50 0 BEAARN Cc1nnsc1C(=O)N[C@H](C)c1ccccc1 ZINC000000478312 383871399 /nfs/dbraw/zinc/87/13/99/383871399.db2.gz GRPONLCDRJEXHO-MRVPVSSYSA-N 0 0 247.323 2.338 50 0 BEAARN Cc1nnsc1C(=O)N[C@@H](C)c1ccccc1 ZINC000000478311 383871753 /nfs/dbraw/zinc/87/17/53/383871753.db2.gz GRPONLCDRJEXHO-QMMMGPOBSA-N 0 0 247.323 2.338 50 0 BEAARN O=C(/C=C/c1cccs1)NCc1cccnc1 ZINC000000475778 383872320 /nfs/dbraw/zinc/87/23/20/383872320.db2.gz GGTSBLXHCVWOLX-AATRIKPKSA-N 0 0 244.319 2.473 50 0 BEAARN c1ccc2[nH]c(NC[C@@H]3CCCO3)nc2c1 ZINC000000513003 383872594 /nfs/dbraw/zinc/87/25/94/383872594.db2.gz RNSADKGYHJDRMW-VIFPVBQESA-N 0 0 217.272 2.154 50 0 BEAARN O=C(/C=C/c1ccco1)NCc1ccco1 ZINC000000546556 383875607 /nfs/dbraw/zinc/87/56/07/383875607.db2.gz ZTAOSUGWSJDISW-AATRIKPKSA-N 0 0 217.224 2.202 50 0 BEAARN OCC1=C(F)CN(Cc2ccccc2)CC1 ZINC000035803673 383875829 /nfs/dbraw/zinc/87/58/29/383875829.db2.gz GXOKOTKUYVKLPJ-UHFFFAOYSA-N 0 0 221.275 2.108 50 0 BEAARN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000610791 383878312 /nfs/dbraw/zinc/87/83/12/383878312.db2.gz QAMPCHWLFPGVCG-UHFFFAOYSA-N 0 0 239.218 2.077 50 0 BEAARN Cc1ccc(Oc2ncccc2C(N)=O)cc1 ZINC000000131999 383829326 /nfs/dbraw/zinc/82/93/26/383829326.db2.gz UDPIXPRXGOYJKB-UHFFFAOYSA-N 0 0 228.251 2.281 50 0 BEAARN C[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1 ZINC000000117707 383829882 /nfs/dbraw/zinc/82/98/82/383829882.db2.gz VKVCMTXNNRZRHR-MWLCHTKSSA-N 0 0 214.272 2.072 50 0 BEAARN CS(=O)(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000000122165 383830909 /nfs/dbraw/zinc/83/09/09/383830909.db2.gz NPGRAIIBMVPZHD-UHFFFAOYSA-N 0 0 247.319 2.310 50 0 BEAARN O=C1N[C@H](c2ccco2)Nc2ccccc21 ZINC000000151328 383832246 /nfs/dbraw/zinc/83/22/46/383832246.db2.gz QCRTXSVKRLCOBJ-LLVKDONJSA-N 0 0 214.224 2.134 50 0 biogenic BEAARN CNc1ccccc1C(=O)NCc1ccco1 ZINC000000144249 383832435 /nfs/dbraw/zinc/83/24/35/383832435.db2.gz VUTVIXXZPVGGHJ-UHFFFAOYSA-N 0 0 230.267 2.251 50 0 BEAARN COC(=O)c1nc(Br)sc1C ZINC000067174024 383916110 /nfs/dbraw/zinc/91/61/10/383916110.db2.gz YMKSUNUZQDIVIE-UHFFFAOYSA-N 0 0 236.090 2.001 50 0 BEAARN CC1(C)CC(=O)CN1Cc1ccccc1 ZINC000088611794 383917915 /nfs/dbraw/zinc/91/79/15/383917915.db2.gz NTSWGFCAFRJPKH-UHFFFAOYSA-N 0 0 203.285 2.240 50 0 BEAARN c1cncc(-c2ccnc(N3CCCC3)n2)c1 ZINC000067320841 383920915 /nfs/dbraw/zinc/92/09/15/383920915.db2.gz CCFBZDUIMAIQEA-UHFFFAOYSA-N 0 0 226.283 2.139 50 0 BEAARN Nc1ccc2c(c1)CCC(=O)N2CC1CCC1 ZINC000088133185 383882125 /nfs/dbraw/zinc/88/21/25/383882125.db2.gz YMZJDAUSHSBNEL-UHFFFAOYSA-N 0 0 230.311 2.348 50 0 BEAARN O=C(O[C@H]1CCOC1)c1ccccc1Cl ZINC000071883867 383891961 /nfs/dbraw/zinc/89/19/61/383891961.db2.gz DVBQURLAOSRSND-QMMMGPOBSA-N 0 0 226.659 2.286 50 0 BEAARN C[C@@H](NC(=O)c1cccnc1)c1ccc(O)cc1 ZINC000001445999 383899294 /nfs/dbraw/zinc/89/92/94/383899294.db2.gz PEHOGPOHBDJGKN-SNVBAGLBSA-N 0 0 242.278 2.278 50 0 BEAARN CC(=O)c1cccc(Br)c1N ZINC000022008261 383978179 /nfs/dbraw/zinc/97/81/79/383978179.db2.gz DCHRSZPALFRBOX-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN O=C(c1ccon1)N1CCC[C@H]2CCC[C@@H]21 ZINC000089885162 384002003 /nfs/dbraw/zinc/00/20/03/384002003.db2.gz CTGCHRKFARXKHM-KOLCDFICSA-N 0 0 220.272 2.079 50 0 BEAARN O=Cc1ccc(Oc2cnccn2)cc1 ZINC000002582761 383981617 /nfs/dbraw/zinc/98/16/17/383981617.db2.gz CVXVCLKXSLVETE-UHFFFAOYSA-N 0 0 200.197 2.081 50 0 BEAARN COC[C@@H](C)NC(=O)CCCc1ccccc1 ZINC000002743491 383985954 /nfs/dbraw/zinc/98/59/54/383985954.db2.gz WZINZOJFVYKVGZ-GFCCVEGCSA-N 0 0 235.327 2.160 50 0 BEAARN CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000037621103 383989547 /nfs/dbraw/zinc/98/95/47/383989547.db2.gz BGSUQVLWKNOKQB-BXUZGUMPSA-N 0 0 234.343 2.381 50 0 BEAARN O=C([C@H]1CCCc2n[nH]cc21)N1CCCCCC1 ZINC000089764892 383993738 /nfs/dbraw/zinc/99/37/38/383993738.db2.gz LVUSFWRCPJWUKI-NSHDSACASA-N 0 0 247.342 2.232 50 0 BEAARN COC(=O)c1cc(-c2ccc(OC)cc2)no1 ZINC000000266326 383994655 /nfs/dbraw/zinc/99/46/55/383994655.db2.gz KPGXJKWDFWFKAR-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 BEAARN O=C(C1CCC1)N1CCOc2cccc(F)c21 ZINC000089800188 383998124 /nfs/dbraw/zinc/99/81/24/383998124.db2.gz FXBVQXRLOCSNEP-UHFFFAOYSA-N 0 0 235.258 2.351 50 0 BEAARN O=Cc1cc2n[nH]cc2c(Br)c1 ZINC000089196521 383941319 /nfs/dbraw/zinc/94/13/19/383941319.db2.gz QSCOHIBTEKOLEX-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN Cc1noc2ncc(-c3nnc(C4CC4)o3)cc12 ZINC000071889527 383944240 /nfs/dbraw/zinc/94/42/40/383944240.db2.gz HDNRJQFVXBJJDL-UHFFFAOYSA-N 0 0 242.238 2.459 50 0 BEAARN O=C1NCc2c1ccc(Cl)c2Cl ZINC000089211025 383947687 /nfs/dbraw/zinc/94/76/87/383947687.db2.gz ANQDFOAOUUPTIU-UHFFFAOYSA-N 0 0 202.040 2.237 50 0 BEAARN CCCCNC(=O)COc1ccc(C)cc1 ZINC000002049700 383948407 /nfs/dbraw/zinc/94/84/07/383948407.db2.gz JQOZNKSBBZCZHX-UHFFFAOYSA-N 0 0 221.300 2.290 50 0 BEAARN CC1(C(=O)N2CCC3(CC3)CC2)CCOCC1 ZINC000071890411 383951376 /nfs/dbraw/zinc/95/13/76/383951376.db2.gz FWNICNXLOFLIDK-UHFFFAOYSA-N 0 0 237.343 2.206 50 0 BEAARN Cc1cc(=O)c2cccc(-c3cc[nH]n3)c2[nH]1 ZINC000067851991 383952564 /nfs/dbraw/zinc/95/25/64/383952564.db2.gz BURLMGYWTBTQDD-UHFFFAOYSA-N 0 0 225.251 2.227 50 0 BEAARN C[NH2+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000037181013 383954463 /nfs/dbraw/zinc/95/44/63/383954463.db2.gz WUNPURZYXCZCPK-MRVPVSSYSA-N 0 0 233.189 2.051 50 0 biogenic BEAARN C[NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000037180889 383955060 /nfs/dbraw/zinc/95/50/60/383955060.db2.gz XUSJFRAYQKFOSU-MRVPVSSYSA-N 0 0 234.082 2.339 50 0 BEAARN CCCCOC[C@H](O)Cn1cnc2ccccc21 ZINC000002182512 383955710 /nfs/dbraw/zinc/95/57/10/383955710.db2.gz LBXDGWRHXXOQOU-GFCCVEGCSA-N 0 0 248.326 2.214 50 0 BEAARN Cc1nnc2sc(-c3cccc(F)c3)nn12 ZINC000002338847 383959156 /nfs/dbraw/zinc/95/91/56/383959156.db2.gz DLJRMXPERYGYOE-UHFFFAOYSA-N 0 0 234.259 2.300 50 0 BEAARN CC1CC(NC(=O)C(C)(C)C(F)F)C1 ZINC000334844578 383966121 /nfs/dbraw/zinc/96/61/21/383966121.db2.gz HMTBPKOBASRQFA-UHFFFAOYSA-N 0 0 205.248 2.192 50 0 BEAARN CC(C)(C)c1ccc(C[C@H]([NH3+])CC(=O)[O-])cc1 ZINC000002506649 383966703 /nfs/dbraw/zinc/96/67/03/383966703.db2.gz KDMFJTJDCJZSGE-LBPRGKRZSA-N 0 0 235.327 2.329 50 0 BEAARN CS(=O)(=O)c1ccccc1C(F)(F)F ZINC000002511107 383968912 /nfs/dbraw/zinc/96/89/12/383968912.db2.gz DVHRWZMPFYOREG-UHFFFAOYSA-N 0 0 224.203 2.109 50 0 BEAARN O=Cc1cc(F)ccc1Br ZINC000002512342 383969186 /nfs/dbraw/zinc/96/91/86/383969186.db2.gz CJUCIKJLMFVWIS-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN C[C@](C(=O)[O-])(c1ccccc1)[NH+]1CCCC1 ZINC000037359863 383972654 /nfs/dbraw/zinc/97/26/54/383972654.db2.gz HIWHOHZULRSJMB-CYBMUJFWSA-N 0 0 219.284 2.082 50 0 biogenic BEAARN C[NH2+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000037425044 383974160 /nfs/dbraw/zinc/97/41/60/383974160.db2.gz QPAPLUQWHCZODB-MRVPVSSYSA-N 0 0 234.082 2.339 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000089536776 383975411 /nfs/dbraw/zinc/97/54/11/383975411.db2.gz UDWXGBZWWAUWHC-OLZOCXBDSA-N 0 0 248.326 2.107 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000089536774 383977349 /nfs/dbraw/zinc/97/73/49/383977349.db2.gz UDWXGBZWWAUWHC-QWHCGFSZSA-N 0 0 248.326 2.107 50 0 BEAARN Cc1cc(C)c2[nH]c(=NN)cc(C)c2c1 ZINC000003334973 384005480 /nfs/dbraw/zinc/00/54/80/384005480.db2.gz VXQHWTFBYYYFGJ-UHFFFAOYSA-N 0 0 201.273 2.446 50 0 BEAARN CCC[C@H](C)NS(=O)(=O)c1cccc(F)c1 ZINC000072542561 384013927 /nfs/dbraw/zinc/01/39/27/384013927.db2.gz AMDHVJNMNHPYTP-VIFPVBQESA-N 0 0 245.319 2.293 50 0 BEAARN O=CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004204397 384043908 /nfs/dbraw/zinc/04/39/08/384043908.db2.gz BGOMXTCPIUNFKR-UHFFFAOYSA-N 0 0 202.131 2.087 50 0 BEAARN CC[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000069476399 384048473 /nfs/dbraw/zinc/04/84/73/384048473.db2.gz HGJKZGGZDSJORL-VIFPVBQESA-N 0 0 227.304 2.223 50 0 BEAARN Nc1nnc(-c2cccc(Br)c2)o1 ZINC000003886888 384032010 /nfs/dbraw/zinc/03/20/10/384032010.db2.gz CVVNMXRTDJRCHC-UHFFFAOYSA-N 0 0 240.060 2.081 50 0 BEAARN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1 ZINC000004019022 384036435 /nfs/dbraw/zinc/03/64/35/384036435.db2.gz APOBYZSYMJNZIE-NIFPGPBJSA-N 0 0 241.290 2.222 50 0 BEAARN CCC(c1c(C)[nH]oc1=O)c1c(C)[nH]oc1=O ZINC000004337208 384058469 /nfs/dbraw/zinc/05/84/69/384058469.db2.gz OIDMPWRDAYYEJX-UHFFFAOYSA-N 0 0 238.243 2.233 50 0 BEAARN Nc1ccc(F)c(I)c1 ZINC000090598478 384062667 /nfs/dbraw/zinc/06/26/67/384062667.db2.gz ZMIKWUHTLFMITC-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN O=C(Nc1nccs1)OCC(F)(F)F ZINC000038342177 384081282 /nfs/dbraw/zinc/08/12/82/384081282.db2.gz SCKXDWMZFBAHQS-UHFFFAOYSA-N 0 0 226.179 2.254 50 0 BEAARN c1csc(-c2cc(Cn3ccnn3)no2)c1 ZINC000128036229 384108235 /nfs/dbraw/zinc/10/82/35/384108235.db2.gz RKLSCFBKFLZHOX-UHFFFAOYSA-N 0 0 232.268 2.043 50 0 BEAARN Nc1noc2ccc(C(F)(F)F)cc12 ZINC000039470954 384114559 /nfs/dbraw/zinc/11/45/59/384114559.db2.gz LSKOZQNIAMSAIB-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 in-vitro BEAARN CCCC[C@H](CC)C(=O)NC[C@@H]1CCCO1 ZINC000005467379 384115892 /nfs/dbraw/zinc/11/58/92/384115892.db2.gz PVEUPUAPZWVDHP-RYUDHWBXSA-N 0 0 227.348 2.498 50 0 BEAARN COc1ccnc(CCOCc2ccccc2)n1 ZINC000091548815 384133816 /nfs/dbraw/zinc/13/38/16/384133816.db2.gz KZQRXCYFDVWSQY-UHFFFAOYSA-N 0 0 244.294 2.245 50 0 BEAARN O=C1CCN1c1cccc(Br)c1 ZINC000091692845 384138006 /nfs/dbraw/zinc/13/80/06/384138006.db2.gz BIBBPRFERILTDN-UHFFFAOYSA-N 0 0 226.073 2.186 50 0 BEAARN CCCn1ncnc1-c1cccc(OC)c1O ZINC000091595478 384136158 /nfs/dbraw/zinc/13/61/58/384136158.db2.gz UIVRHVUNGGUKBZ-UHFFFAOYSA-N 0 0 233.271 2.069 50 0 BEAARN Cn1nccc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000005943357 384137977 /nfs/dbraw/zinc/13/79/77/384137977.db2.gz RZXIREJDEMNSHZ-UHFFFAOYSA-N 0 0 241.294 2.161 50 0 BEAARN COC(=O)/C=C/c1cc2cc[nH]c2c(Cl)n1 ZINC000039961361 384125655 /nfs/dbraw/zinc/12/56/55/384125655.db2.gz SXIDAOSLDRZLPL-NSCUHMNNSA-N 0 0 236.658 2.403 50 0 BEAARN CS[C@@H]1CCN(c2ncccc2F)C1 ZINC000294955242 384146076 /nfs/dbraw/zinc/14/60/76/384146076.db2.gz JIQNUAKKYMIUIX-MRVPVSSYSA-N 0 0 212.293 2.162 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCn2c3ccccc3nc21 ZINC000029375685 384150490 /nfs/dbraw/zinc/15/04/90/384150490.db2.gz XDFJQIKRBQTLIQ-ZJUUUORDSA-N 0 0 241.294 2.039 50 0 BEAARN COC(=O)CSc1cccc(Cl)n1 ZINC000071257110 384156856 /nfs/dbraw/zinc/15/68/56/384156856.db2.gz TZPSVXVWWCIUCA-UHFFFAOYSA-N 0 0 217.677 2.000 50 0 BEAARN COC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000071256328 384157297 /nfs/dbraw/zinc/15/72/97/384157297.db2.gz YLDFUXIOPJEOOD-UHFFFAOYSA-N 0 0 237.642 2.177 50 0 BEAARN CC(C)(C)OC(=O)Nc1cc2ncccn2n1 ZINC000091692852 384138221 /nfs/dbraw/zinc/13/82/21/384138221.db2.gz JHESLHSAPMWRQO-UHFFFAOYSA-N 0 0 234.259 2.076 50 0 BEAARN O=Cc1cncc(Br)c1Cl ZINC000091691983 384138259 /nfs/dbraw/zinc/13/82/59/384138259.db2.gz LSNBFATWINWCAX-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN CCCc1nnc2sc(-c3ccc[nH]3)nn12 ZINC000071748557 384176599 /nfs/dbraw/zinc/17/65/99/384176599.db2.gz BBPRTENDAQYGOP-UHFFFAOYSA-N 0 0 233.300 2.133 50 0 BEAARN CO/C=C/[C@H]1CC(c2ccccc2)=NO1 ZINC000006997458 384173376 /nfs/dbraw/zinc/17/33/76/384173376.db2.gz XYUGEABQUNDXGM-AEZGRPFRSA-N 0 0 203.241 2.340 50 0 BEAARN COC(=O)c1cc(C)c(C(F)(F)F)cc1N ZINC000071624156 384173741 /nfs/dbraw/zinc/17/37/41/384173741.db2.gz MIEPONYZJUGILI-UHFFFAOYSA-N 0 0 233.189 2.383 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccon1 ZINC000002641656 384175767 /nfs/dbraw/zinc/17/57/67/384175767.db2.gz XBKLTLFVJCLJFN-ZZXKWVIFSA-N 0 0 232.214 2.466 50 0 BEAARN O=Cc1ccccc1OCc1cccnc1 ZINC000006678460 384161892 /nfs/dbraw/zinc/16/18/92/384161892.db2.gz NSLNYNOSOATOMH-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN Cc1cc(C)c(C(=O)N2CCC[C@H]2CF)o1 ZINC000293961571 384162079 /nfs/dbraw/zinc/16/20/79/384162079.db2.gz AVMJBPRUYDOXCB-JTQLQIEISA-N 0 0 225.263 2.471 50 0 BEAARN COC[C@@H](C)Oc1ccc(N)cc1Cl ZINC000006678516 384162138 /nfs/dbraw/zinc/16/21/38/384162138.db2.gz LXWKFKLEUOMTSH-SSDOTTSWSA-N 0 0 215.680 2.336 50 0 BEAARN Cc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000097372744 384176119 /nfs/dbraw/zinc/17/61/19/384176119.db2.gz NVTBGSGMYWQJSJ-PHIMTYICSA-N 0 0 249.314 2.031 50 0 BEAARN O=C1OC(Cl)(Cl)C(Cl)(Cl)O1 ZINC000006661761 384162742 /nfs/dbraw/zinc/16/27/42/384162742.db2.gz TXQPIYKVIOKFAB-UHFFFAOYSA-N 0 0 225.842 2.416 50 0 BEAARN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000237394175 384162846 /nfs/dbraw/zinc/16/28/46/384162846.db2.gz IGHWJJMZCCCECV-DGCLKSJQSA-N 0 0 233.311 2.339 50 0 BEAARN CC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1C ZINC000097366790 384163501 /nfs/dbraw/zinc/16/35/01/384163501.db2.gz IGEZPTNTLXZRIP-UHFFFAOYSA-N 0 0 248.326 2.434 50 0 BEAARN Cc1nc(-c2cccs2)sc1C(N)=O ZINC000033433684 384170479 /nfs/dbraw/zinc/17/04/79/384170479.db2.gz WGRTXPDOOMVJBF-UHFFFAOYSA-N 0 0 224.310 2.279 50 0 BEAARN O=C1c2ccccc2C(=O)N1[C@H]1C=CCC1 ZINC000071774273 384178281 /nfs/dbraw/zinc/17/82/81/384178281.db2.gz AHPMKYXDPNFYIM-VIFPVBQESA-N 0 0 213.236 2.001 50 0 BEAARN CCCCN(Cc1ccccc1)C(N)=O ZINC000071774371 384178685 /nfs/dbraw/zinc/17/86/85/384178685.db2.gz VPPNKIZZJTUJHA-UHFFFAOYSA-N 0 0 206.289 2.367 50 0 BEAARN Clc1cc2nc(-c3ccccc3)nn2cn1 ZINC000071790485 384179377 /nfs/dbraw/zinc/17/93/77/384179377.db2.gz MSTGTUSZWCONIJ-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN CCc1ccc(CN(C)Cc2nccn2C)o1 ZINC000097377037 384182866 /nfs/dbraw/zinc/18/28/66/384182866.db2.gz ULJHSDXTDCLCHX-UHFFFAOYSA-N 0 0 233.315 2.208 50 0 BEAARN COC(=O)/C=C/CCc1ccc(F)cc1 ZINC000071864136 384183278 /nfs/dbraw/zinc/18/32/78/384183278.db2.gz BHPCQASCGYNZEM-HWKANZROSA-N 0 0 208.232 2.488 50 0 BEAARN CC(=O)c1cc(O)ccc1Br ZINC000072232945 384201954 /nfs/dbraw/zinc/20/19/54/384201954.db2.gz ZZCFCXHCWBGEDV-UHFFFAOYSA-N 0 0 215.046 2.357 50 0 BEAARN O=c1[nH]c2ncccc2n1C1CCCCC1 ZINC000072319825 384205846 /nfs/dbraw/zinc/20/58/46/384205846.db2.gz RXPGJEKERBHADP-UHFFFAOYSA-N 0 0 217.272 2.230 50 0 BEAARN O=Cc1cnn(Cc2ccccc2Cl)c1 ZINC000008037201 384191606 /nfs/dbraw/zinc/19/16/06/384191606.db2.gz QYTVCQUUYIWDPN-UHFFFAOYSA-N 0 0 220.659 2.397 50 0 BEAARN CCO[C@H]1C[C@@H](NC(=O)c2ccco2)C1(C)C ZINC000071915437 384192432 /nfs/dbraw/zinc/19/24/32/384192432.db2.gz QYDBPKWSDRVGTN-MNOVXSKESA-N 0 0 237.299 2.213 50 0 BEAARN Cc1ccn2cc(CNc3ncccn3)nc2c1 ZINC000048706809 384192734 /nfs/dbraw/zinc/19/27/34/384192734.db2.gz CCHVJGOKTHXBLE-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN COC(=O)c1ccc(Cc2ccccc2)n1C ZINC000072324042 384208096 /nfs/dbraw/zinc/20/80/96/384208096.db2.gz FNQWFOMAGYGFGN-UHFFFAOYSA-N 0 0 229.279 2.403 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC2(COC2)C1 ZINC000072194278 384199440 /nfs/dbraw/zinc/19/94/40/384199440.db2.gz NJHHTWIPJPGHQB-UHFFFAOYSA-N 0 0 227.304 2.034 50 0 BEAARN C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208666 384200262 /nfs/dbraw/zinc/20/02/62/384200262.db2.gz SQOMPUDOUGDJPH-VIFPVBQESA-N 0 0 229.320 2.014 50 0 BEAARN COC(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000042684354 384236160 /nfs/dbraw/zinc/23/61/60/384236160.db2.gz OGWVZWUDZHFDFL-UHFFFAOYSA-N 0 0 244.250 2.401 50 0 BEAARN O=C(C1CCC1)N(Cc1cccnc1)C1CC1 ZINC000061073943 384239109 /nfs/dbraw/zinc/23/91/09/384239109.db2.gz QJMVGUXTQHMVTR-UHFFFAOYSA-N 0 0 230.311 2.373 50 0 BEAARN O=Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000009256922 384239566 /nfs/dbraw/zinc/23/95/66/384239566.db2.gz XNNTWUIEFDDWBO-GFCCVEGCSA-N 0 0 206.241 2.057 50 0 BEAARN O=C([O-])CSC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072323953 384208526 /nfs/dbraw/zinc/20/85/26/384208526.db2.gz ILNNSEOHNOANCC-WDEREUQCSA-N 0 0 243.372 2.069 50 0 biogenic BEAARN O=Cc1c(F)cccc1Br ZINC000008729815 384211550 /nfs/dbraw/zinc/21/15/50/384211550.db2.gz PJNILWKRAKKEQM-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN Cn1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)cn1 ZINC000336363716 384217503 /nfs/dbraw/zinc/21/75/03/384217503.db2.gz ZJXSEACKIIWDNQ-SNVBAGLBSA-N 0 0 229.274 2.088 50 0 BEAARN Cc1nc(-c2ccccc2)[n-]c(=O)c1Cl ZINC000008925760 384227203 /nfs/dbraw/zinc/22/72/03/384227203.db2.gz FSFGWEAQHSZNKB-UHFFFAOYSA-N 0 0 220.659 2.399 50 0 BEAARN c1nc(SCCc2ccc3c(c2)CCO3)n[nH]1 ZINC000133328515 384243542 /nfs/dbraw/zinc/24/35/42/384243542.db2.gz UPJABEPEMKOCKR-UHFFFAOYSA-N 0 0 247.323 2.074 50 0 BEAARN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000237511469 384257933 /nfs/dbraw/zinc/25/79/33/384257933.db2.gz JTZCUAFOGAKIOK-AAEUAGOBSA-N 0 0 233.311 2.024 50 0 BEAARN Cc1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000000204962 384270285 /nfs/dbraw/zinc/27/02/85/384270285.db2.gz KDIDITUWGJPLKT-UHFFFAOYSA-N 0 0 215.178 2.365 50 0 BEAARN COC(=O)c1cccc(C(=O)NC(C)(C)C)c1 ZINC000010291102 384274329 /nfs/dbraw/zinc/27/43/29/384274329.db2.gz YXZZDZFSFUGLOU-UHFFFAOYSA-N 0 0 235.283 2.002 50 0 BEAARN c1cncc(-c2nnc3n2CCCCS3)c1 ZINC000010312612 384274897 /nfs/dbraw/zinc/27/48/97/384274897.db2.gz FTEVTVLWPYPZNI-UHFFFAOYSA-N 0 0 232.312 2.226 50 0 BEAARN COC(=O)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000133625064 384304099 /nfs/dbraw/zinc/30/40/99/384304099.db2.gz PTPWFFZQLBEBNY-STQMWFEESA-N 0 0 233.311 2.085 50 0 BEAARN COC(=O)c1ccc(-n2ccnc2)cc1Cl ZINC000012336418 384310931 /nfs/dbraw/zinc/31/09/31/384310931.db2.gz VFHCVVCHWCLHAO-UHFFFAOYSA-N 0 0 236.658 2.312 50 0 BEAARN Cc1cnc(NC(=O)[C@@H]2CC2(C)C)s1 ZINC000159263488 384313964 /nfs/dbraw/zinc/31/39/64/384313964.db2.gz BAMJKPPLNPSWTE-ZETCQYMHSA-N 0 0 210.302 2.436 50 0 BEAARN CCOc1nc(Cl)ncc1Br ZINC000074942548 384314287 /nfs/dbraw/zinc/31/42/87/384314287.db2.gz JLHYOQWWHLEBDO-UHFFFAOYSA-N 0 0 237.484 2.291 50 0 BEAARN Cc1cnc(NC(=O)[C@H]2CC2(C)C)s1 ZINC000159263631 384314970 /nfs/dbraw/zinc/31/49/70/384314970.db2.gz BAMJKPPLNPSWTE-SSDOTTSWSA-N 0 0 210.302 2.436 50 0 BEAARN Nc1nnc(-c2ccccc2Br)o1 ZINC000012375701 384317770 /nfs/dbraw/zinc/31/77/70/384317770.db2.gz LNDBYEJRHXWCOG-UHFFFAOYSA-N 0 0 240.060 2.081 50 0 BEAARN COC1(C(F)(F)F)CC[NH+](C(C)C)CC1 ZINC000335608693 384320150 /nfs/dbraw/zinc/32/01/50/384320150.db2.gz BUGINJUOJBXVNA-UHFFFAOYSA-N 0 0 225.254 2.438 50 0 BEAARN CSc1cccc(C(=O)N2CC(CF)C2)c1 ZINC000335427006 384285229 /nfs/dbraw/zinc/28/52/29/384285229.db2.gz GCBHRKOHCBWEIR-UHFFFAOYSA-N 0 0 239.315 2.450 50 0 BEAARN Cc1nnc2c(NC(C)C)nc3ccccc3n12 ZINC000000088989 384285611 /nfs/dbraw/zinc/28/56/11/384285611.db2.gz ZJNUTAGVLKRYRI-UHFFFAOYSA-N 0 0 241.298 2.406 50 0 BEAARN COCC[S@](=O)CCCC1CCCC1 ZINC000097016403 384286060 /nfs/dbraw/zinc/28/60/60/384286060.db2.gz SMTSXPZQKUEYKO-AWEZNQCLSA-N 0 0 218.362 2.352 50 0 BEAARN COC(=O)c1cc(Cl)cc(Cl)c1N ZINC000011296880 384286909 /nfs/dbraw/zinc/28/69/09/384286909.db2.gz FODZNORQIATQIP-UHFFFAOYSA-N 0 0 220.055 2.362 50 0 BEAARN CCSCCS[C@@H](C)c1nccc(N)n1 ZINC000408523100 384287029 /nfs/dbraw/zinc/28/70/29/384287029.db2.gz GSDNSNKWUAXZIK-QMMMGPOBSA-N 0 0 243.401 2.436 50 0 BEAARN O=C1N[C@H](CSc2ccc3c(c2)CCC3)CO1 ZINC000408523252 384287990 /nfs/dbraw/zinc/28/79/90/384287990.db2.gz QOOUJSSMGFINIT-NSHDSACASA-N 0 0 249.335 2.376 50 0 BEAARN COC(=O)c1ccc(S[C@H](C)C(C)C)nn1 ZINC000408524275 384290534 /nfs/dbraw/zinc/29/05/34/384290534.db2.gz RTCCGCYLLKXYNO-MRVPVSSYSA-N 0 0 240.328 2.400 50 0 BEAARN CC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000011888170 384302321 /nfs/dbraw/zinc/30/23/21/384302321.db2.gz JZNCZWHUBOFGPJ-UHFFFAOYSA-N 0 0 215.256 2.087 50 0 BEAARN Cc1noc(C)c1CNc1nnc(C(C)C)o1 ZINC000097045375 384303549 /nfs/dbraw/zinc/30/35/49/384303549.db2.gz ZWEHXQLQWUBFAL-UHFFFAOYSA-N 0 0 236.275 2.410 50 0 BEAARN Cn1nc2ccccc2c1Br ZINC000075842664 384341607 /nfs/dbraw/zinc/34/16/07/384341607.db2.gz UWXIGNYYDSUWOH-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN COC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=S ZINC000012859563 384341584 /nfs/dbraw/zinc/34/15/84/384341584.db2.gz NJBYIRTZFFOMCP-UHFFFAOYSA-N 0 0 240.328 2.158 50 0 BEAARN CC1(c2ccc(Cl)c(N)c2)OCCO1 ZINC000170623905 384342209 /nfs/dbraw/zinc/34/22/09/384342209.db2.gz KXCWVXHNHQLDKE-UHFFFAOYSA-N 0 0 213.664 2.142 50 0 BEAARN Nc1c(F)ccc(Br)c1F ZINC000075843650 384342538 /nfs/dbraw/zinc/34/25/38/384342538.db2.gz HIZADWSSPWORHH-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN O=C1OCC[C@@H]1SCc1ccccc1 ZINC000032666569 384344329 /nfs/dbraw/zinc/34/43/29/384344329.db2.gz BUHIWFOKIGGYTL-JTQLQIEISA-N 0 0 208.282 2.235 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(C)c1 ZINC000012971376 384344423 /nfs/dbraw/zinc/34/44/23/384344423.db2.gz ICNWKIZOJRUILK-GZMMTYOYSA-N 0 0 247.294 2.376 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)c(C)c1 ZINC000012971382 384344837 /nfs/dbraw/zinc/34/48/37/384344837.db2.gz ICNWKIZOJRUILK-KCJUWKMLSA-N 0 0 247.294 2.376 50 0 BEAARN C[C@@H](NC(=O)CC(F)(F)F)c1ccncc1 ZINC000044600685 384348200 /nfs/dbraw/zinc/34/82/00/384348200.db2.gz NYANNXVURADCTD-SSDOTTSWSA-N 0 0 232.205 2.211 50 0 BEAARN Cc1ccc(CC[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000237706850 384348328 /nfs/dbraw/zinc/34/83/28/384348328.db2.gz OAAFVKXJXBSWSJ-CYBMUJFWSA-N 0 0 233.311 2.087 50 0 BEAARN S=c1nc(C2CC2)n(-c2ccccc2)[nH]1 ZINC000013132909 384348800 /nfs/dbraw/zinc/34/88/00/384348800.db2.gz YLIGLBKYJFKWOD-UHFFFAOYSA-N 0 0 217.297 2.433 50 0 BEAARN COc1nccc2c(Br)c[nH]c21 ZINC000044713166 384353838 /nfs/dbraw/zinc/35/38/38/384353838.db2.gz ZXERQDIKIONKEM-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1cc(F)ccc1NCc1cocn1 ZINC000097105577 384357710 /nfs/dbraw/zinc/35/77/10/384357710.db2.gz QKGOUSNPOLWUCJ-UHFFFAOYSA-N 0 0 222.219 2.434 50 0 BEAARN c1nnc2sc(-c3cc4ccccc4[nH]3)nn12 ZINC000013682412 384368627 /nfs/dbraw/zinc/36/86/27/384368627.db2.gz IVXKYYAUUQEXOJ-UHFFFAOYSA-N 0 0 241.279 2.334 50 0 BEAARN CC(C)c1cc(NCC2(CO)CCC2)ncn1 ZINC000095353097 384371117 /nfs/dbraw/zinc/37/11/17/384371117.db2.gz RADACZUVNCUOFR-UHFFFAOYSA-N 0 0 235.331 2.175 50 0 BEAARN CCc1cc(NC[C@H]2CCCC[C@@]2(C)O)ncn1 ZINC000095376737 384371747 /nfs/dbraw/zinc/37/17/47/384371747.db2.gz UYGAGZLYVIDWIC-BXUZGUMPSA-N 0 0 249.358 2.392 50 0 BEAARN COC(=O)/C=C/c1c(C)nc(Cl)nc1Cl ZINC000013774767 384372339 /nfs/dbraw/zinc/37/23/39/384372339.db2.gz NZLQYIUUKDMPRZ-ONEGZZNKSA-N 0 0 247.081 2.278 50 0 BEAARN Cc1nc(Cn2sc3ccccc3c2=O)co1 ZINC000095379672 384372811 /nfs/dbraw/zinc/37/28/11/384372811.db2.gz UOZLKDSLIPSYRV-UHFFFAOYSA-N 0 0 246.291 2.408 50 0 BEAARN CCc1ncc(C(=O)N2CCCCCCC2)cn1 ZINC000095359309 384373119 /nfs/dbraw/zinc/37/31/19/384373119.db2.gz AXRZINYJPQMWLH-UHFFFAOYSA-N 0 0 247.342 2.445 50 0 BEAARN Cn1cc2cc(O)c(Br)cc2n1 ZINC000095743311 384393158 /nfs/dbraw/zinc/39/31/58/384393158.db2.gz RIDVKAZOEWYONR-UHFFFAOYSA-N 0 0 227.061 2.041 50 0 BEAARN Nc1nc2c(cccc2Br)o1 ZINC000095830042 384400665 /nfs/dbraw/zinc/40/06/65/384400665.db2.gz VDOPLRREAKADRV-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN O=C1COc2c(cccc2C(F)(F)F)N1 ZINC000211949962 384401120 /nfs/dbraw/zinc/40/11/20/384401120.db2.gz MZAVJMWMCIMGNZ-UHFFFAOYSA-N 0 0 217.146 2.036 50 0 BEAARN O=C1N=C2C=CC=CN2[C@@H]1c1ccccc1 ZINC000101366417 384403277 /nfs/dbraw/zinc/40/32/77/384403277.db2.gz GOSNEJZQDVQWTH-GFCCVEGCSA-N 0 0 210.236 2.052 50 0 BEAARN Cc1ccc(C(=O)Nc2ccn(C)n2)cc1C ZINC000014899594 384410121 /nfs/dbraw/zinc/41/01/21/384410121.db2.gz YLVHCQJWXKXFRL-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN CCOc1ccncc1Br ZINC000014982251 384411940 /nfs/dbraw/zinc/41/19/40/384411940.db2.gz YGTKCIIICLDVAQ-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN O=C1Nc2c(ccc(Cl)c2Cl)C1=O ZINC000014979616 384413021 /nfs/dbraw/zinc/41/30/21/384413021.db2.gz XTXIILHWOQZVAQ-UHFFFAOYSA-N 0 0 216.023 2.128 50 0 in-vivo BEAARN Nc1sc2c(c1C(=O)C1CC1)CCC2 ZINC000095942463 384417260 /nfs/dbraw/zinc/41/72/60/384417260.db2.gz KVXSFRFBZZAOAR-UHFFFAOYSA-N 0 0 207.298 2.412 50 0 BEAARN CCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000096032139 384420668 /nfs/dbraw/zinc/42/06/68/384420668.db2.gz VXVNESJOGPNEMU-QWRGUYRKSA-N 0 0 243.347 2.262 50 0 BEAARN O=C([C@@H]1CC=CCC1)N1CCC[C@H]1CF ZINC000294153721 384381402 /nfs/dbraw/zinc/38/14/02/384381402.db2.gz RRQCLMVUYWZSAP-MNOVXSKESA-N 0 0 211.280 2.303 50 0 BEAARN COc1ncccc1CNC(=O)CC1CCCC1 ZINC000032787212 384381645 /nfs/dbraw/zinc/38/16/45/384381645.db2.gz FEOZCWNRCMSSKT-UHFFFAOYSA-N 0 0 248.326 2.287 50 0 BEAARN Cc1ccc(C(=O)NCCCC(C)C)n1C ZINC000032797024 384384236 /nfs/dbraw/zinc/38/42/36/384384236.db2.gz KZVCBBPBJGEPCI-UHFFFAOYSA-N 0 0 222.332 2.500 50 0 BEAARN O=C(O[C@@H]1CCOC1)C1=CCCCCC1 ZINC000097164140 384388915 /nfs/dbraw/zinc/38/89/15/384388915.db2.gz ZXOUOLLSQRYBBZ-LLVKDONJSA-N 0 0 210.273 2.209 50 0 BEAARN COC(=O)c1cc(F)c(F)cc1Cl ZINC000047202261 384445161 /nfs/dbraw/zinc/44/51/61/384445161.db2.gz AYXSLWFGIGSIDJ-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN COC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000047476063 384455890 /nfs/dbraw/zinc/45/58/90/384455890.db2.gz SZZHVBGWUMONRQ-UHFFFAOYSA-N 0 0 233.271 2.107 50 0 BEAARN Cc1nc(-c2ccccc2C(=O)[O-])[nH]c1C ZINC000015442941 384432420 /nfs/dbraw/zinc/43/24/20/384432420.db2.gz OQRILSJSRCWHDV-UHFFFAOYSA-N 0 0 216.240 2.392 50 0 BEAARN Cc1n[nH]c(C)c1Cc1cccc(N)c1 ZINC000096113703 384437972 /nfs/dbraw/zinc/43/79/72/384437972.db2.gz ZWUAEBJIQVCSOO-UHFFFAOYSA-N 0 0 201.273 2.200 50 0 BEAARN COC(=O)c1cccc(Br)c1OC ZINC000047202237 384443600 /nfs/dbraw/zinc/44/36/00/384443600.db2.gz YMRGVTKIFLNUFC-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN O=c1c2sccc2nc2n1CCCCC2 ZINC000096511572 384462513 /nfs/dbraw/zinc/46/25/13/384462513.db2.gz AMQFTDAJYBYUIG-UHFFFAOYSA-N 0 0 220.297 2.184 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000016602764 384463457 /nfs/dbraw/zinc/46/34/57/384463457.db2.gz DGXXLKKPFNQIOS-YPMHNXCESA-N 0 0 233.311 2.292 50 0 BEAARN Cc1cnc(NC(=O)/C=C\c2cccnc2)s1 ZINC000096988887 384483014 /nfs/dbraw/zinc/48/30/14/384483014.db2.gz AFJOGJDIHIRWSQ-PLNGDYQASA-N 0 0 245.307 2.498 50 0 BEAARN COc1ncccc1NC(=O)N1CCCCCC1 ZINC000048286111 384484293 /nfs/dbraw/zinc/48/42/93/384484293.db2.gz MZZDHXNZTCWEQR-UHFFFAOYSA-N 0 0 249.314 2.498 50 0 BEAARN CC(C)c1nc(-c2cnnn2C)cs1 ZINC000285457080 384488064 /nfs/dbraw/zinc/48/80/64/384488064.db2.gz QKUPHAIQLIGZQZ-UHFFFAOYSA-N 0 0 208.290 2.062 50 0 BEAARN C[C@H](CCO)CNc1noc(-c2ccccc2)n1 ZINC000157782955 384515282 /nfs/dbraw/zinc/51/52/82/384515282.db2.gz QGPDZACCOOGBKM-SNVBAGLBSA-N 0 0 247.298 2.167 50 0 BEAARN Nc1n[nH]c(SCc2sccc2Cl)n1 ZINC000253393456 384535976 /nfs/dbraw/zinc/53/59/76/384535976.db2.gz PMRJPBIZKGPIDH-UHFFFAOYSA-N 0 0 246.748 2.394 50 0 BEAARN CSCCC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067503987 384517698 /nfs/dbraw/zinc/51/76/98/384517698.db2.gz CKDTVPGSUBOLAQ-RYUDHWBXSA-N 0 0 235.352 2.412 50 0 BEAARN CCS[C@H]1CCCC[C@H]1NC(C)=O ZINC000095408787 384524080 /nfs/dbraw/zinc/52/40/80/384524080.db2.gz IHDTUDKWHBNSMF-ZJUUUORDSA-N 0 0 201.335 2.187 50 0 BEAARN Cn1nccc1CCC(=O)N1CCCCCCC1 ZINC000097514394 384526863 /nfs/dbraw/zinc/52/68/63/384526863.db2.gz OOCBDYMFGLOCCI-UHFFFAOYSA-N 0 0 249.358 2.145 50 0 BEAARN CCSc1nnnn1CCc1cccs1 ZINC000065551642 384527287 /nfs/dbraw/zinc/52/72/87/384527287.db2.gz HFALSIBKIDQDGQ-UHFFFAOYSA-N 0 0 240.357 2.089 50 0 BEAARN CN(Cc1cc(C2CC2)n[nH]1)C[C@@H]1CCCCO1 ZINC000019606702 384529527 /nfs/dbraw/zinc/52/95/27/384529527.db2.gz ASNPXANOHGJHMP-ZDUSSCGKSA-N 0 0 249.358 2.288 50 0 BEAARN Cc1cc(C)nc(N2CCC=C(C)C2)n1 ZINC000253432817 384541820 /nfs/dbraw/zinc/54/18/20/384541820.db2.gz ONUGMQMYOFCCJM-UHFFFAOYSA-N 0 0 203.289 2.250 50 0 BEAARN Cc1nnc(CN[C@H](C)c2ccccn2)s1 ZINC000309713190 384553901 /nfs/dbraw/zinc/55/39/01/384553901.db2.gz RPZJOPHUQDSFTD-MRVPVSSYSA-N 0 0 234.328 2.092 50 0 BEAARN Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000049730857 384559572 /nfs/dbraw/zinc/55/95/72/384559572.db2.gz LEEVXELHSQOZSN-UHFFFAOYSA-N 0 0 213.284 2.407 50 0 BEAARN C[C@@H]1[C@H](C)OCCN1c1nc2ccccc2[nH]1 ZINC000270562004 384537207 /nfs/dbraw/zinc/53/72/07/384537207.db2.gz JZIAIMDPJNHGMK-ZJUUUORDSA-N 0 0 231.299 2.177 50 0 BEAARN O=C1Nc2ccccc2NC12CCCC2 ZINC000019772754 384538045 /nfs/dbraw/zinc/53/80/45/384538045.db2.gz WPXIPUXNPWABDI-UHFFFAOYSA-N 0 0 202.257 2.363 50 0 BEAARN CC(C)[C@@H]([NH2+]Cc1cccc(F)c1)C(=O)[O-] ZINC000019787743 384538075 /nfs/dbraw/zinc/53/80/75/384538075.db2.gz RFFIBTBBCUVPLB-LLVKDONJSA-N 0 0 225.263 2.025 50 0 BEAARN O=C([O-])CC[NH2+]Cc1c(F)cccc1Cl ZINC000019787893 384538164 /nfs/dbraw/zinc/53/81/64/384538164.db2.gz XHUFETANTZQLGD-UHFFFAOYSA-N 0 0 231.654 2.043 50 0 BEAARN Cc1ccc(O[C@H](C)C(=O)N2CCCC2)cc1 ZINC000049890801 384575654 /nfs/dbraw/zinc/57/56/54/384575654.db2.gz DGWAFPJQILOVAM-GFCCVEGCSA-N 0 0 233.311 2.385 50 0 BEAARN O=CNc1cccc(OC(F)(F)C(F)F)c1 ZINC000002571069 384579172 /nfs/dbraw/zinc/57/91/72/384579172.db2.gz VNAACZFHBIRGFE-UHFFFAOYSA-N 0 0 237.152 2.492 50 0 BEAARN CC(C)C[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000073189954 384580687 /nfs/dbraw/zinc/58/06/87/384580687.db2.gz GKMSKOKQHRLOJO-CHWSQXEVSA-N 0 0 249.358 2.339 50 0 BEAARN COC(=O)[C@H](N)c1ccc2ccccc2c1 ZINC000020169374 384589251 /nfs/dbraw/zinc/58/92/51/384589251.db2.gz OWSZMZAENZHDLB-GFCCVEGCSA-N 0 0 215.252 2.013 50 0 biogenic BEAARN CNc1c(N)cccc1Br ZINC000098179650 384602645 /nfs/dbraw/zinc/60/26/45/384602645.db2.gz BVQOQXXITQULGQ-UHFFFAOYSA-N 0 0 201.067 2.073 50 0 BEAARN Cc1noc(-c2nc(-c3cccc(F)c3)no2)n1 ZINC000098212323 384605172 /nfs/dbraw/zinc/60/51/72/384605172.db2.gz GXDQDZOFBKSZLD-UHFFFAOYSA-N 0 0 246.201 2.234 50 0 BEAARN COC(=O)c1cc2ccccc2cc1N ZINC000020368917 384616028 /nfs/dbraw/zinc/61/60/28/384616028.db2.gz WHMQTPBEFHEYJI-UHFFFAOYSA-N 0 0 201.225 2.209 50 0 BEAARN Cc1cc(C)c(Cn2ncsc2=O)c(C)c1 ZINC000123989982 384599251 /nfs/dbraw/zinc/59/92/51/384599251.db2.gz CMBRYLIEPAXBJD-UHFFFAOYSA-N 0 0 234.324 2.278 50 0 BEAARN CCOC[C@H](O)CSc1ccccc1 ZINC000002849253 384672135 /nfs/dbraw/zinc/67/21/35/384672135.db2.gz SCKGJPHLUGFMIA-JTQLQIEISA-N 0 0 212.314 2.176 50 0 BEAARN CCOC[C@@H](O)CSc1ccccc1 ZINC000002849254 384673423 /nfs/dbraw/zinc/67/34/23/384673423.db2.gz SCKGJPHLUGFMIA-SNVBAGLBSA-N 0 0 212.314 2.176 50 0 BEAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cccc(O)c1 ZINC000100759198 384653995 /nfs/dbraw/zinc/65/39/95/384653995.db2.gz SDNPBOXTUOIGMX-RYUDHWBXSA-N 0 0 245.278 2.072 50 0 BEAARN Cc1ccc(NC(=O)N2CC[C@](C)(O)C2)s1 ZINC000175440227 384655757 /nfs/dbraw/zinc/65/57/57/384655757.db2.gz VDTAPZRBLWJDKN-NSHDSACASA-N 0 0 240.328 2.045 50 0 BEAARN O=C1CCNc2cccc(Br)c21 ZINC000082360186 384675854 /nfs/dbraw/zinc/67/58/54/384675854.db2.gz ZVJZGPYDOMMMMA-UHFFFAOYSA-N 0 0 226.073 2.447 50 0 BEAARN COCCn1c2cc(C)c(C)cc2sc1=N ZINC000100969319 384661773 /nfs/dbraw/zinc/66/17/73/384661773.db2.gz WYOCFQGEPZSRRZ-UHFFFAOYSA-N 0 0 236.340 2.446 50 0 BEAARN COC(=O)c1ccc2c(c1)CCCCC2=O ZINC000141946578 384685809 /nfs/dbraw/zinc/68/58/09/384685809.db2.gz AXDYGPIMKPWMQH-UHFFFAOYSA-N 0 0 218.252 2.382 50 0 BEAARN Cc1nnsc1-c1nc2ccccc2[nH]1 ZINC000011535685 384689560 /nfs/dbraw/zinc/68/95/60/384689560.db2.gz FWZDEPFNQLNFON-UHFFFAOYSA-N 0 0 216.269 2.390 50 0 BEAARN Cc1ccc(C(=O)NCc2cccnc2)s1 ZINC000000442715 384690892 /nfs/dbraw/zinc/69/08/92/384690892.db2.gz YQSZCODSMKJKSE-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Cn1cncc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000335918374 384694087 /nfs/dbraw/zinc/69/40/87/384694087.db2.gz UGOWXDVEDPIGDE-VIFPVBQESA-N 0 0 229.274 2.088 50 0 BEAARN CC[C@@H]1C[N@H+](Cc2cccnc2)CCS1 ZINC000076071885 384694620 /nfs/dbraw/zinc/69/46/20/384694620.db2.gz FNMYTTKYEITSCI-GFCCVEGCSA-N 0 0 222.357 2.409 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CC[C@](C)(O)CC1 ZINC000101925569 384695905 /nfs/dbraw/zinc/69/59/05/384695905.db2.gz DZKXFTPOGGFHOX-WVSHTKLVSA-N 0 0 229.320 2.205 50 0 BEAARN Cc1nsc(NC(=O)c2sccc2C)n1 ZINC000170623650 384698042 /nfs/dbraw/zinc/69/80/42/384698042.db2.gz QRSKXCHFNGBWTC-UHFFFAOYSA-N 0 0 239.325 2.469 50 0 BEAARN CS(=O)(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076855273 384701397 /nfs/dbraw/zinc/70/13/97/384701397.db2.gz STBBIODEDOGHAR-SNVBAGLBSA-N 0 0 243.328 2.156 50 0 BEAARN Cc1cc(CCNC(=O)C2CC2)cc(C)c1O ZINC000188726685 384703338 /nfs/dbraw/zinc/70/33/38/384703338.db2.gz ZFGFUTGXXGNPBI-UHFFFAOYSA-N 0 0 233.311 2.078 50 0 BEAARN COC(=O)c1ccc(COc2ccc(C)nc2)o1 ZINC000072073254 384705372 /nfs/dbraw/zinc/70/53/72/384705372.db2.gz HZMVCNBMLQSFHT-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN CN(C)CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000021962795 384711560 /nfs/dbraw/zinc/71/15/60/384711560.db2.gz FYGSTEFVMGKXIF-UHFFFAOYSA-N 0 0 246.276 2.357 50 0 BEAARN Cc1nnc(S[C@@H](C)c2cccc(C)c2)n1N ZINC000078930068 384712715 /nfs/dbraw/zinc/71/27/15/384712715.db2.gz GRYUUXJWRBXMTB-VIFPVBQESA-N 0 0 248.355 2.462 50 0 BEAARN C[C@@](O)(CNc1ccccn1)c1ccccc1 ZINC000079311309 384718068 /nfs/dbraw/zinc/71/80/68/384718068.db2.gz JLGQVLSMOLMIDA-CQSZACIVSA-N 0 0 228.295 2.401 50 0 BEAARN CN1CCN(C(=O)C2CC2)c2cc(F)ccc21 ZINC000081074390 384731493 /nfs/dbraw/zinc/73/14/93/384731493.db2.gz MUNVOYRSUZGUEY-UHFFFAOYSA-N 0 0 234.274 2.019 50 0 BEAARN COCc1noc([C@H]2CCOc3ccccc32)n1 ZINC000083914987 384757803 /nfs/dbraw/zinc/75/78/03/384757803.db2.gz QIJZDYGNJKIIPT-JTQLQIEISA-N 0 0 246.266 2.130 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)C[C@H]2C1 ZINC000083338895 384758261 /nfs/dbraw/zinc/75/82/61/384758261.db2.gz WUSRHFOXQKJMKP-UWVGGRQHSA-N 0 0 239.315 2.223 50 0 BEAARN C1=CCC(Nc2ccc3nnc(C4CC4)n3n2)C1 ZINC000095413920 384762178 /nfs/dbraw/zinc/76/21/78/384762178.db2.gz HDMYJUJIGVRGJH-UHFFFAOYSA-N 0 0 241.298 2.132 50 0 BEAARN COC[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C ZINC000084636740 384762969 /nfs/dbraw/zinc/76/29/69/384762969.db2.gz OQPPEHNTKPKYFM-ZJUUUORDSA-N 0 0 215.337 2.210 50 0 BEAARN COC[C@H](C)Nc1cncc(Br)c1 ZINC000084640434 384762979 /nfs/dbraw/zinc/76/29/79/384762979.db2.gz IDKPZYGOZMWVBE-ZETCQYMHSA-N 0 0 245.120 2.291 50 0 BEAARN CCC[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000022623816 384764971 /nfs/dbraw/zinc/76/49/71/384764971.db2.gz HWVJNRFPINPLSN-VIFPVBQESA-N 0 0 231.299 2.481 50 0 BEAARN CCC[C@H](C(=O)NC[C@H](C)CO)c1ccccc1 ZINC000084740466 384766915 /nfs/dbraw/zinc/76/69/15/384766915.db2.gz AKHXAOLGUIZODA-JSGCOSHPSA-N 0 0 249.354 2.315 50 0 BEAARN Cc1c(F)cccc1NCc1cncn1C ZINC000085169446 384770639 /nfs/dbraw/zinc/77/06/39/384770639.db2.gz FKXRGNWQWBRVSW-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN CC(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000181669290 384772454 /nfs/dbraw/zinc/77/24/54/384772454.db2.gz WKWBMXLUWGFLDM-LLVKDONJSA-N 0 0 223.247 2.176 50 0 BEAARN CCCn1nc(C)c(CNCC(F)F)c1C ZINC000290094963 384772524 /nfs/dbraw/zinc/77/25/24/384772524.db2.gz MXMXLXHZHMOWQN-UHFFFAOYSA-N 0 0 231.290 2.265 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000083988121 384825406 /nfs/dbraw/zinc/82/54/06/384825406.db2.gz DCLIKAUTNCNGEL-GHMZBOCLSA-N 0 0 211.305 2.162 50 0 BEAARN CC(=O)c1ccc(NCc2nc(C)no2)cc1 ZINC000024661808 384827589 /nfs/dbraw/zinc/82/75/89/384827589.db2.gz YUYKJXGOQKGSPP-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN FC[C@@H]1CCCN1c1ccnc(C2CC2)n1 ZINC000292667448 384782748 /nfs/dbraw/zinc/78/27/48/384782748.db2.gz CWYXXRXIUWJRHZ-JTQLQIEISA-N 0 0 221.279 2.292 50 0 BEAARN C1CC1c1noc(N[C@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000089598045 384785842 /nfs/dbraw/zinc/78/58/42/384785842.db2.gz XZBKCWOLPLCESY-GARJFASQSA-N 0 0 249.314 2.317 50 0 BEAARN Cc1ccc2c(ncc3c2NCCNC3=O)c1C ZINC000053994732 384814320 /nfs/dbraw/zinc/81/43/20/384814320.db2.gz ANAMIYGBJIOGTB-UHFFFAOYSA-N 0 0 241.294 2.007 50 0 BEAARN Cc1noc(CSc2ccc(O)cc2)n1 ZINC000038079024 384814989 /nfs/dbraw/zinc/81/49/89/384814989.db2.gz ZUIOFSOIJICYBF-UHFFFAOYSA-N 0 0 222.269 2.376 50 0 BEAARN c1ccc2[nH]c(-n3nnc4ccccc43)nc2c1 ZINC000026472867 384877779 /nfs/dbraw/zinc/87/77/79/384877779.db2.gz FFVJJTCKVFXBLJ-UHFFFAOYSA-N 0 0 235.250 2.297 50 0 BEAARN COc1c(C)cc([C@@H](C(=O)[O-])N2CCC2)cc1C ZINC000055358736 384880676 /nfs/dbraw/zinc/88/06/76/384880676.db2.gz VVKDOELHGJKNCN-LBPRGKRZSA-N 0 0 249.310 2.143 50 0 BEAARN Cc1noc([C@@H](C)Nc2ccc3c(c2)OCO3)n1 ZINC000026982035 384890047 /nfs/dbraw/zinc/89/00/47/384890047.db2.gz CFEOYUPFCWDESQ-SSDOTTSWSA-N 0 0 247.254 2.280 50 0 BEAARN Nc1c(Cl)cncc1Br ZINC000026894759 384887291 /nfs/dbraw/zinc/88/72/91/384887291.db2.gz VOEIEXVBLCRZCS-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CCSc1[nH]c(=O)nc2ccccc21 ZINC000072265573 384887426 /nfs/dbraw/zinc/88/74/26/384887426.db2.gz BYRNLGRYNJVJGD-UHFFFAOYSA-N 0 0 206.270 2.035 50 0 BEAARN COC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000084154076 384842608 /nfs/dbraw/zinc/84/26/08/384842608.db2.gz PWXLOONQXYGPGC-UHFFFAOYSA-N 0 0 234.251 2.217 50 0 biogenic,in-vitro BEAARN Cc1nocc1CNC(=O)Nc1cccc(C)n1 ZINC000583650782 384856819 /nfs/dbraw/zinc/85/68/19/384856819.db2.gz BCFPMUQYGYMSCS-UHFFFAOYSA-N 0 0 246.270 2.008 50 0 BEAARN c1cn(C[C@H]2CCCN2Cc2cscn2)cn1 ZINC000188398197 384949231 /nfs/dbraw/zinc/94/92/31/384949231.db2.gz WQYWCXMFVVVZIN-GFCCVEGCSA-N 0 0 248.355 2.004 50 0 BEAARN CCCC(=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000085494932 384952899 /nfs/dbraw/zinc/95/28/99/384952899.db2.gz GZHVJVJALJXSAU-MRVPVSSYSA-N 0 0 200.278 2.333 50 0 BEAARN CC(C)C(=O)N[C@H](C)COc1ccccc1 ZINC000055731011 384893517 /nfs/dbraw/zinc/89/35/17/384893517.db2.gz OFIACEUPSHGZOL-LLVKDONJSA-N 0 0 221.300 2.226 50 0 BEAARN CCc1cccc(NC(=O)N2CCOCC2)c1 ZINC000027336698 384897701 /nfs/dbraw/zinc/89/77/01/384897701.db2.gz AMWFKWQEHOOMJB-UHFFFAOYSA-N 0 0 234.299 2.113 50 0 BEAARN O=C1NN2Cc3ccccc3C2=Nc2ccccc21 ZINC000004769985 384901036 /nfs/dbraw/zinc/90/10/36/384901036.db2.gz DTLBHFNDXRITJT-UHFFFAOYSA-N 0 0 249.273 2.239 50 0 BEAARN CN(CC(C)(C)O)c1nccc2occc21 ZINC000095449396 384909532 /nfs/dbraw/zinc/90/95/32/384909532.db2.gz YXQAMHNLCMTUAJ-UHFFFAOYSA-N 0 0 220.272 2.035 50 0 BEAARN CCCCCC(=O)OCc1nnc(C)s1 ZINC000095459522 384910881 /nfs/dbraw/zinc/91/08/81/384910881.db2.gz RCZNNJDMDFSKIN-UHFFFAOYSA-N 0 0 228.317 2.470 50 0 BEAARN Cc1cc(C)n(Cc2ccn(C(C)C)n2)n1 ZINC000085171237 384925214 /nfs/dbraw/zinc/92/52/14/384925214.db2.gz YZYAKMCYSVXUQV-UHFFFAOYSA-N 0 0 218.304 2.326 50 0 BEAARN CCOC(=O)C1=NNC[C@@H]1c1ccc(OC)cc1 ZINC000085389858 384942685 /nfs/dbraw/zinc/94/26/85/384942685.db2.gz TWEQXAIFXJNBKL-VXGBXAGGSA-N 0 0 248.282 2.176 50 0 BEAARN CCOc1cccc2cc(-c3nnc(N)o3)oc21 ZINC000085436328 384946502 /nfs/dbraw/zinc/94/65/02/384946502.db2.gz ADPRNOBYIBYFAH-UHFFFAOYSA-N 0 0 245.238 2.464 50 0 BEAARN c1ccc(N2CC[C@@H](C3CCOCC3)C2)nc1 ZINC000328586503 384946847 /nfs/dbraw/zinc/94/68/47/384946847.db2.gz SZECECMNOLXONF-CYBMUJFWSA-N 0 0 232.327 2.335 50 0 BEAARN O=C(/C=C\c1ccco1)NC1CCCC1 ZINC000098053595 384971551 /nfs/dbraw/zinc/97/15/51/384971551.db2.gz FCCRHMLMVXSFJR-FPLPWBNLSA-N 0 0 205.257 2.352 50 0 BEAARN CN(C)c1cccc(C(=O)OC[C@@H]2CCCO2)c1 ZINC000057974106 384975578 /nfs/dbraw/zinc/97/55/78/384975578.db2.gz JUDPIDNMNLDQSC-ZDUSSCGKSA-N 0 0 249.310 2.088 50 0 BEAARN Fc1ccc(OCCn2ccnn2)c(Cl)c1 ZINC000128027757 384982510 /nfs/dbraw/zinc/98/25/10/384982510.db2.gz GFVYVJQQLVYZHC-UHFFFAOYSA-N 0 0 241.653 2.150 50 0 BEAARN O=C(c1ccco1)N1CCOc2ccccc2C1 ZINC000070263981 384990203 /nfs/dbraw/zinc/99/02/03/384990203.db2.gz GEQAASKIQLTUOJ-UHFFFAOYSA-N 0 0 243.262 2.314 50 0 BEAARN COC(=O)C1(NC(=O)CC(C)C)CCCCC1 ZINC000058264879 384992219 /nfs/dbraw/zinc/99/22/19/384992219.db2.gz FMYBATRHRCOHMK-UHFFFAOYSA-N 0 0 241.331 2.025 50 0 BEAARN Cc1noc([C@H](C)NC(=O)c2ccc(C)cc2)n1 ZINC000058246161 384992874 /nfs/dbraw/zinc/99/28/74/384992874.db2.gz AHGMVIQBAQGAOM-VIFPVBQESA-N 0 0 245.282 2.177 50 0 BEAARN CC[C@@H](C)NC(=O)CN(C)c1ccccc1 ZINC000058330293 384995741 /nfs/dbraw/zinc/99/57/41/384995741.db2.gz SKJWGZPRPRXBNN-LLVKDONJSA-N 0 0 220.316 2.038 50 0 BEAARN Cc1c2cc3c(cc2nc2c1COCC2)OCO3 ZINC000058330135 384996882 /nfs/dbraw/zinc/99/68/82/384996882.db2.gz NIRJSHCBRRGOMR-UHFFFAOYSA-N 0 0 243.262 2.345 50 0 BEAARN Cc1c(C(=O)N(C)[C@@H](C)C(C)(C)C)cnn1C ZINC000058291331 384997176 /nfs/dbraw/zinc/99/71/76/384997176.db2.gz ITKSHSBHQURTBY-JTQLQIEISA-N 0 0 237.347 2.235 50 0 BEAARN COCc1ccccc1NC(=O)C1CCOCC1 ZINC000058342928 385000300 /nfs/dbraw/zinc/00/03/00/385000300.db2.gz PZYGLJWQBDOGRU-UHFFFAOYSA-N 0 0 249.310 2.198 50 0 BEAARN CC(C)[C@H](C)NC(=O)c1ccnc(NC2CC2)c1 ZINC000058418907 385002968 /nfs/dbraw/zinc/00/29/68/385002968.db2.gz CBHSMCHHXOTIDL-JTQLQIEISA-N 0 0 247.342 2.430 50 0 BEAARN CCCCN(C)C(=O)c1ccc[nH]c1=S ZINC000058626510 385016978 /nfs/dbraw/zinc/01/69/78/385016978.db2.gz HPUNFJXJKXOEED-UHFFFAOYSA-N 0 0 224.329 2.242 50 0 BEAARN O=C(c1ncco1)c1cc(F)ccc1F ZINC000085651168 384961725 /nfs/dbraw/zinc/96/17/25/384961725.db2.gz QHQQYEKFJXLLIA-UHFFFAOYSA-N 0 0 209.151 2.184 50 0 BEAARN C/C=C\C[C@@H]1CC(=O)C[C@H]1CC(=O)OC ZINC000059589205 385052458 /nfs/dbraw/zinc/05/24/58/385052458.db2.gz JYZHNYACTQVZBM-QKMQQOOLSA-N 0 0 210.273 2.111 50 0 biogenic,in-vitro BEAARN Cc1c(CNc2ccnc(C3CC3)n2)cnn1C ZINC000128851593 385079109 /nfs/dbraw/zinc/07/91/09/385079109.db2.gz AOLSWZULRRFHNT-UHFFFAOYSA-N 0 0 243.314 2.008 50 0 BEAARN Cc1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000058848342 385028230 /nfs/dbraw/zinc/02/82/30/385028230.db2.gz ATQVBQSZTNAVKI-SNVBAGLBSA-N 0 0 208.282 2.403 50 0 BEAARN C[C@@]1(O)c2cccc3cccc(c23)[C@]1(C)O ZINC000012341560 385029526 /nfs/dbraw/zinc/02/95/26/385029526.db2.gz QSDXRXVHRKLPHO-OKILXGFUSA-N 0 0 214.264 2.268 50 0 BEAARN Cn1ncc2c1ncnc2Nc1ccc(F)cc1 ZINC000005347769 385031023 /nfs/dbraw/zinc/03/10/23/385031023.db2.gz NVKKWWLHTLDUBU-UHFFFAOYSA-N 0 0 243.245 2.246 50 0 BEAARN C[C@]1(O)c2cccc3cccc(c23)[C@]1(C)O ZINC000003075554 385035372 /nfs/dbraw/zinc/03/53/72/385035372.db2.gz QSDXRXVHRKLPHO-KBPBESRZSA-N 0 0 214.264 2.268 50 0 BEAARN Cc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 ZINC000022459329 385115842 /nfs/dbraw/zinc/11/58/42/385115842.db2.gz RARBTMQJMBPOEP-UHFFFAOYSA-N 0 0 231.280 2.288 50 0 BEAARN CC(=O)c1ccc(OCc2nccn2C)cc1 ZINC000031977984 385116581 /nfs/dbraw/zinc/11/65/81/385116581.db2.gz WHBBMCFOFMDJBZ-UHFFFAOYSA-N 0 0 230.267 2.202 50 0 BEAARN Cn1nnnc1SC/C=C/c1ccccc1 ZINC000012882603 385142262 /nfs/dbraw/zinc/14/22/62/385142262.db2.gz NKRQCGRONKYCME-VMPITWQZSA-N 0 0 232.312 2.016 50 0 BEAARN COC[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000096417117 385142360 /nfs/dbraw/zinc/14/23/60/385142360.db2.gz DHBDNRLLGDWMFP-LBPRGKRZSA-N 0 0 239.359 2.452 50 0 BEAARN C[C@@H](Nc1ccc(F)cc1)c1nncn1C ZINC000287138984 385098232 /nfs/dbraw/zinc/09/82/32/385098232.db2.gz HKBCZEQEHGUHJR-MRVPVSSYSA-N 0 0 220.251 2.127 50 0 BEAARN Cc1nc(C)c(C)c(N2CC[C@]3(CCOC3)C2)n1 ZINC000096474601 385191824 /nfs/dbraw/zinc/19/18/24/385191824.db2.gz MFZXHGNGWMJJSX-AWEZNQCLSA-N 0 0 247.342 2.019 50 0 BEAARN CCC[C@H](C)NC(=O)NCc1cc(CC)no1 ZINC000096421393 385148976 /nfs/dbraw/zinc/14/89/76/385148976.db2.gz BTGCSTUBMVGJRR-VIFPVBQESA-N 0 0 239.319 2.225 50 0 BEAARN CCSCC[C@@H](C)N(C)C(=O)c1cc[nH]n1 ZINC000096441218 385168019 /nfs/dbraw/zinc/16/80/19/385168019.db2.gz BOOSLWTXOZGIHX-SECBINFHSA-N 0 0 241.360 2.013 50 0 BEAARN CCSCC[C@H](C)N(C)C(=O)c1cc[nH]n1 ZINC000096441219 385168333 /nfs/dbraw/zinc/16/83/33/385168333.db2.gz BOOSLWTXOZGIHX-VIFPVBQESA-N 0 0 241.360 2.013 50 0 BEAARN CSC[C@@](C)(O)CNc1ccc(Cl)cn1 ZINC000096453688 385175661 /nfs/dbraw/zinc/17/56/61/385175661.db2.gz HMISSGGCCKLHCV-JTQLQIEISA-N 0 0 246.763 2.261 50 0 BEAARN CO[C@@H](CNC(=O)NC(C)(C)C)c1ccco1 ZINC000206868023 385180516 /nfs/dbraw/zinc/18/05/16/385180516.db2.gz ORKWAJRNAZXBCE-JTQLQIEISA-N 0 0 240.303 2.065 50 0 BEAARN CC[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)C(C)C ZINC000048977651 385214499 /nfs/dbraw/zinc/21/44/99/385214499.db2.gz YGOGSRDTNMWXPU-LLVKDONJSA-N 0 0 236.315 2.382 50 0 BEAARN O=C1c2ccncc2C(=O)N1c1cccc(F)c1 ZINC000000104041 385204673 /nfs/dbraw/zinc/20/46/73/385204673.db2.gz UKIHJJDTOXSBLX-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN CCOc1ccc(-c2n[nH]c(C3CC3)n2)o1 ZINC000065385058 385304165 /nfs/dbraw/zinc/30/41/65/385304165.db2.gz XLDCJNMGJJCMLQ-UHFFFAOYSA-N 0 0 219.244 2.341 50 0 BEAARN Nc1cncc(-n2ncc3ccccc32)c1 ZINC000065381154 385304665 /nfs/dbraw/zinc/30/46/65/385304665.db2.gz CVOPRGMNUAGNQY-UHFFFAOYSA-N 0 0 210.240 2.003 50 0 BEAARN Oc1cccnc1-n1ccc(-c2cccnc2)n1 ZINC000065463927 385314893 /nfs/dbraw/zinc/31/48/93/385314893.db2.gz VGGWIOWPJFSWPZ-UHFFFAOYSA-N 0 0 238.250 2.035 50 0 BEAARN Cc1nc(N)ccc1-n1cnc2ccccc21 ZINC000065490664 385316719 /nfs/dbraw/zinc/31/67/19/385316719.db2.gz KVJYERGRDLIQHU-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN O=C1Nc2ccccc2N[C@@H]1CC(F)(F)F ZINC000064370286 385262472 /nfs/dbraw/zinc/26/24/72/385262472.db2.gz QKWAESOVSXOSPL-MRVPVSSYSA-N 0 0 230.189 2.372 50 0 BEAARN Cc1cc(C)c(N)c(I)c1 ZINC000034213067 385275763 /nfs/dbraw/zinc/27/57/63/385275763.db2.gz ODPOIEACUVQCBZ-UHFFFAOYSA-N 0 0 247.079 2.490 50 0 BEAARN COC[C@H](C)Oc1ccc(-c2nnco2)cc1 ZINC000072311191 385282038 /nfs/dbraw/zinc/28/20/38/385282038.db2.gz ILWOHNPMXYAJIO-VIFPVBQESA-N 0 0 234.255 2.150 50 0 BEAARN COC(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000034632910 385287462 /nfs/dbraw/zinc/28/74/62/385287462.db2.gz USTUYGJVCPXGJG-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CCc1ccc(NC(=O)CCn2ccnc2)cc1 ZINC000021916629 385300126 /nfs/dbraw/zinc/30/01/26/385300126.db2.gz OUBIWQLBKOCDLX-UHFFFAOYSA-N 0 0 243.310 2.474 50 0 BEAARN Cc1ccc(NC(=O)CCNC(=O)C(C)C)cc1 ZINC000065363681 385301450 /nfs/dbraw/zinc/30/14/50/385301450.db2.gz QKTDGFNSNCBAPC-UHFFFAOYSA-N 0 0 248.326 2.096 50 0 BEAARN CS[C@H](C)CC(=O)Nc1cccnc1 ZINC000155011052 385369130 /nfs/dbraw/zinc/36/91/30/385369130.db2.gz LEUPFNBBROFIQG-MRVPVSSYSA-N 0 0 210.302 2.162 50 0 BEAARN CS[C@@H](C)CC(=O)Nc1cccnc1 ZINC000155010942 385370356 /nfs/dbraw/zinc/37/03/56/385370356.db2.gz LEUPFNBBROFIQG-QMMMGPOBSA-N 0 0 210.302 2.162 50 0 BEAARN c1cnn(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000000551626 385499984 /nfs/dbraw/zinc/49/99/84/385499984.db2.gz OYMRGNAOABAKMM-UHFFFAOYSA-N 0 0 238.250 2.455 50 0 BEAARN Cn1nccc1-c1nnc(-c2ccccc2)o1 ZINC000002843018 385514409 /nfs/dbraw/zinc/51/44/09/385514409.db2.gz FFCQRLGGKAXQSJ-UHFFFAOYSA-N 0 0 226.239 2.137 50 0 BEAARN Cc1cccc(CNC(=O)CC2CCOCC2)c1 ZINC000082305645 385528971 /nfs/dbraw/zinc/52/89/71/385528971.db2.gz AMDQVKXRHSHQBV-UHFFFAOYSA-N 0 0 247.338 2.428 50 0 BEAARN Cc1ccccc1NC(=O)N(C)C[C@@H]1CCOC1 ZINC000078438539 385529106 /nfs/dbraw/zinc/52/91/06/385529106.db2.gz NLPMGOMTTYJYTB-LBPRGKRZSA-N 0 0 248.326 2.495 50 0 BEAARN CN(CC(F)F)C(=O)c1occ2c1CCC2 ZINC000334351743 385538985 /nfs/dbraw/zinc/53/89/85/385538985.db2.gz GNILCHRMGDMXKR-UHFFFAOYSA-N 0 0 229.226 2.105 50 0 BEAARN O=C(CCc1ccccc1)N[C@@H]1CCCC[C@H]1O ZINC000052000848 385599711 /nfs/dbraw/zinc/59/97/11/385599711.db2.gz NTZKHITWYBDGJJ-ZIAGYGMSSA-N 0 0 247.338 2.039 50 0 BEAARN O=C(CCc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000052000844 385599767 /nfs/dbraw/zinc/59/97/67/385599767.db2.gz NTZKHITWYBDGJJ-KGLIPLIRSA-N 0 0 247.338 2.039 50 0 BEAARN CC(C)CCNC(=O)N(C)CC1CCOCC1 ZINC000127713057 385630295 /nfs/dbraw/zinc/63/02/95/385630295.db2.gz KYRFPOGPELXOHL-UHFFFAOYSA-N 0 0 242.363 2.101 50 0 BEAARN COC[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000056921943 385680471 /nfs/dbraw/zinc/68/04/71/385680471.db2.gz VOKFEZJZLUJWLQ-CYBMUJFWSA-N 0 0 247.338 2.494 50 0 BEAARN CC[C@@H](C(=O)[O-])[N@@H+]1CCCc2ccccc2C1 ZINC000062944874 385684304 /nfs/dbraw/zinc/68/43/04/385684304.db2.gz ZOYJSWDLPONMSC-ZDUSSCGKSA-N 0 0 233.311 2.298 50 0 BEAARN CC[C@H](COC)Nc1ccc(-n2ccnn2)cc1 ZINC000129227859 385740627 /nfs/dbraw/zinc/74/06/27/385740627.db2.gz AYJNTURPTSJHBJ-LLVKDONJSA-N 0 0 246.314 2.104 50 0 BEAARN FC1(F)CCC(Cn2cncn2)CC1 ZINC000335596190 385826769 /nfs/dbraw/zinc/82/67/69/385826769.db2.gz QKCYSKREUDIZHL-UHFFFAOYSA-N 0 0 201.220 2.104 50 0 BEAARN Cc1nnc(CN(C)[C@@H](C)c2ccccn2)s1 ZINC000271508036 385833708 /nfs/dbraw/zinc/83/37/08/385833708.db2.gz FBHLSLHVRDKXJX-VIFPVBQESA-N 0 0 248.355 2.435 50 0 BEAARN Cc1nc(COc2ccccc2F)no1 ZINC000057681115 385936228 /nfs/dbraw/zinc/93/62/28/385936228.db2.gz ALAVXZSLTNNBBC-UHFFFAOYSA-N 0 0 208.192 2.096 50 0 BEAARN CC(=O)Nc1ccc(O)c(-c2ccccn2)c1 ZINC000071773629 385937207 /nfs/dbraw/zinc/93/72/07/385937207.db2.gz YXKSDVMLMPNJTR-UHFFFAOYSA-N 0 0 228.251 2.413 50 0 BEAARN CN(Cc1ccc(Cl)cc1)CC1OCCO1 ZINC000182008787 385994401 /nfs/dbraw/zinc/99/44/01/385994401.db2.gz PZTYQZALWRWADF-UHFFFAOYSA-N 0 0 241.718 2.145 50 0 BEAARN CNc1nnc(-c2ccc(OC)cc2)s1 ZINC000001238114 386001407 /nfs/dbraw/zinc/00/14/07/386001407.db2.gz UXCIZAXCEPLKGE-UHFFFAOYSA-N 0 0 221.285 2.255 50 0 BEAARN CSCCC(=O)N1CCCC[C@@H]1C ZINC000033028663 386018586 /nfs/dbraw/zinc/01/85/86/386018586.db2.gz GAXNTOKKNVMPNH-VIFPVBQESA-N 0 0 201.335 2.141 50 0 BEAARN COC(=O)C1(Oc2ccccc2F)CCC1 ZINC000263622786 386157103 /nfs/dbraw/zinc/15/71/03/386157103.db2.gz AXGGCLBVDINZPN-UHFFFAOYSA-N 0 0 224.231 2.300 50 0 BEAARN COC(=O)C1(Oc2cccc(F)c2)CCC1 ZINC000263623217 386157220 /nfs/dbraw/zinc/15/72/20/386157220.db2.gz FRDBVAYUTGLFGH-UHFFFAOYSA-N 0 0 224.231 2.300 50 0 BEAARN CNc1nnc(SCc2cccnc2)s1 ZINC000027812784 386134373 /nfs/dbraw/zinc/13/43/73/386134373.db2.gz PLOKCCIANKNINA-UHFFFAOYSA-N 0 0 238.341 2.267 50 0 BEAARN CCONC(=O)Cc1c(F)cccc1Cl ZINC000040489215 386205969 /nfs/dbraw/zinc/20/59/69/386205969.db2.gz YXJRCKZGSNBVQK-UHFFFAOYSA-N 0 0 231.654 2.089 50 0 BEAARN c1ncn(Cc2noc(C3CCCCCC3)n2)n1 ZINC000225606491 386206291 /nfs/dbraw/zinc/20/62/91/386206291.db2.gz QXKXZOHXWOAYBF-UHFFFAOYSA-N 0 0 247.302 2.147 50 0 BEAARN Cc1ccc(CCN[C@H](C)c2ncn(C)n2)cc1 ZINC000275599048 386225233 /nfs/dbraw/zinc/22/52/33/386225233.db2.gz RKVGCGLIYQZGHQ-GFCCVEGCSA-N 0 0 244.342 2.017 50 0 BEAARN O=C(Nc1nc(C(F)(F)F)c[nH]1)c1ccco1 ZINC000225478414 386197807 /nfs/dbraw/zinc/19/78/07/386197807.db2.gz OYKMAVFOTVKQAH-UHFFFAOYSA-N 0 0 245.160 2.274 50 0 BEAARN CNS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032755074 386316285 /nfs/dbraw/zinc/31/62/85/386316285.db2.gz PZJGGOCORIRXBR-UHFFFAOYSA-N 0 0 247.319 2.262 50 0 BEAARN CN(Cc1ccc(F)cc1)C(=O)C1CC1 ZINC000032967350 386342066 /nfs/dbraw/zinc/34/20/66/386342066.db2.gz JNEILCAZVCVJNP-UHFFFAOYSA-N 0 0 207.248 2.194 50 0 BEAARN CCC[C@@H]1C=CCN1C(=O)Nc1cnn(C)c1C ZINC000299774393 386490553 /nfs/dbraw/zinc/49/05/53/386490553.db2.gz GWPAWZAPKPXPGG-LLVKDONJSA-N 0 0 248.330 2.301 50 0 BEAARN CC(=O)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000062194502 386497295 /nfs/dbraw/zinc/49/72/95/386497295.db2.gz HPWAQLIGJMUBKK-CYBMUJFWSA-N 0 0 219.284 2.076 50 0 BEAARN C[C@H](CS[C@@H]1CCNC1=O)c1ccccc1 ZINC000183330490 386594582 /nfs/dbraw/zinc/59/45/82/386594582.db2.gz OGOVVNNJGDIFGG-ZYHUDNBSSA-N 0 0 235.352 2.412 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)n2ccnc2)[C@H]1C ZINC000238855844 386537312 /nfs/dbraw/zinc/53/73/12/386537312.db2.gz SYZSJULANIBEEQ-VWYCJHECSA-N 0 0 221.304 2.266 50 0 BEAARN CC(F)(F)CC(=O)N1CC2(C1)CCCC2 ZINC000335770503 386574055 /nfs/dbraw/zinc/57/40/55/386574055.db2.gz WGFDJGSVYTWMQQ-UHFFFAOYSA-N 0 0 217.259 2.434 50 0 BEAARN COC(=O)c1ccc(NC(=O)c2ccoc2)cc1 ZINC000012822181 386625260 /nfs/dbraw/zinc/62/52/60/386625260.db2.gz NHUJZXMHDIOGPI-UHFFFAOYSA-N 0 0 245.234 2.319 50 0 BEAARN Nc1nc2c(cccc2C(F)(F)F)o1 ZINC000228902992 386639301 /nfs/dbraw/zinc/63/93/01/386639301.db2.gz PYRHFQPDQFEWSB-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN CC(C)(C)c1ccc(O)c(-n2cnnc2)c1 ZINC000065462902 386649447 /nfs/dbraw/zinc/64/94/47/386649447.db2.gz HCRXIXPXMZASPX-UHFFFAOYSA-N 0 0 217.272 2.270 50 0 BEAARN CC(C)[C@@H]([NH2+]C/C=C\c1ccccc1)C(=O)[O-] ZINC000101366780 386599868 /nfs/dbraw/zinc/59/98/68/386599868.db2.gz PCVKXHHHEIEDHS-OYVUYXNMSA-N 0 0 233.311 2.399 50 0 BEAARN O=C(c1coc2ccc(F)cc12)N1CCC1 ZINC000335522732 386663633 /nfs/dbraw/zinc/66/36/33/386663633.db2.gz YZYBHAUSZBNNSO-UHFFFAOYSA-N 0 0 219.215 2.418 50 0 BEAARN Cc1nc(C)c(C(=O)NCc2cccs2)[nH]1 ZINC000585114074 386666695 /nfs/dbraw/zinc/66/66/95/386666695.db2.gz XMYQKKCXFDLZDN-UHFFFAOYSA-N 0 0 235.312 2.018 50 0 BEAARN CC(C)=C(C)CC(=O)NCCc1ccccn1 ZINC000585121488 386671654 /nfs/dbraw/zinc/67/16/54/386671654.db2.gz QRONEOGJCAXARY-UHFFFAOYSA-N 0 0 232.327 2.487 50 0 BEAARN F[C@H]1CCCN(c2nc(C3CC3)ns2)C1 ZINC000336571334 386710040 /nfs/dbraw/zinc/71/00/40/386710040.db2.gz GWGALEKVLGYEPH-QMMMGPOBSA-N 0 0 227.308 2.354 50 0 BEAARN C[C@H](Nc1ccc2[nH]nnc2c1)C1CCOCC1 ZINC000329487252 386685020 /nfs/dbraw/zinc/68/50/20/386685020.db2.gz RJFHINYQNSIBNS-VIFPVBQESA-N 0 0 246.314 2.185 50 0 BEAARN C[C@H]1c2cccn2CCN1C(=O)c1ccncc1 ZINC000030797127 386694370 /nfs/dbraw/zinc/69/43/70/386694370.db2.gz NIJLRJBNANHBLU-NSHDSACASA-N 0 0 241.294 2.100 50 0 BEAARN CO[C@@]1([Si](C)(C)C)CCCC[C@H]1O ZINC000195798194 386708087 /nfs/dbraw/zinc/70/80/87/386708087.db2.gz JOSYMWZCBQOYPQ-NXEZZACHSA-N 0 0 202.370 2.184 50 0 BEAARN CO[C@@]1([Si](C)(C)C)CCCC[C@@H]1O ZINC000195798189 386708799 /nfs/dbraw/zinc/70/87/99/386708799.db2.gz JOSYMWZCBQOYPQ-VHSXEESVSA-N 0 0 202.370 2.184 50 0 BEAARN CC(C)Oc1ccccc1-c1cc(N)nc(N)n1 ZINC000232693656 386735956 /nfs/dbraw/zinc/73/59/56/386735956.db2.gz QOWXIHNAQDBENE-UHFFFAOYSA-N 0 0 244.298 2.095 50 0 BEAARN Cn1ncc2c1NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000049545430 386769075 /nfs/dbraw/zinc/76/90/75/386769075.db2.gz QPAMSFAGDIGEJV-SNVBAGLBSA-N 0 0 243.266 2.249 50 0 BEAARN CC(=O)c1cc(-c2ccccc2)n(C)n1 ZINC000057490703 386829575 /nfs/dbraw/zinc/82/95/75/386829575.db2.gz UCOFCSJZKKBAQG-UHFFFAOYSA-N 0 0 200.241 2.290 50 0 BEAARN Cc1ccc(C(=O)NC2CCCCCC2)c(=O)[nH]1 ZINC000075118131 386860438 /nfs/dbraw/zinc/86/04/38/386860438.db2.gz FRUZVRKXKRDNKH-UHFFFAOYSA-N 0 0 248.326 2.136 50 0 BEAARN COc1ccc(CNc2cnccn2)cc1OC ZINC000022077543 386866367 /nfs/dbraw/zinc/86/63/67/386866367.db2.gz JTTSAJOECWSWCF-UHFFFAOYSA-N 0 0 245.282 2.106 50 0 BEAARN CO[C@H]1CCC[C@@H]1CNc1nc(C)cnc1C ZINC000358329433 386933134 /nfs/dbraw/zinc/93/31/34/386933134.db2.gz MGQOKSURFDELSW-NEPJUHHUSA-N 0 0 235.331 2.320 50 0 BEAARN CC(=O)NC(C)(C)c1noc(C=C2CCC2)n1 ZINC000088337313 387019751 /nfs/dbraw/zinc/01/97/51/387019751.db2.gz PMRMVYARSWACRL-UHFFFAOYSA-N 0 0 235.287 2.008 50 0 BEAARN Cn1ncnc1CNc1c(F)cccc1Cl ZINC000160377111 387024381 /nfs/dbraw/zinc/02/43/81/387024381.db2.gz WVWZOPGBMNWSRR-UHFFFAOYSA-N 0 0 240.669 2.220 50 0 BEAARN O=C(CCc1cccs1)Nc1cnns1 ZINC000188701355 387083670 /nfs/dbraw/zinc/08/36/70/387083670.db2.gz QKTCJGWLAYXLDP-UHFFFAOYSA-N 0 0 239.325 2.171 50 0 BEAARN CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000034146259 387119382 /nfs/dbraw/zinc/11/93/82/387119382.db2.gz UKMAKHCSDTXLJN-VIFPVBQESA-N 0 0 215.293 2.032 50 0 BEAARN Cc1ccc(C)c([C@@](C)(O)c2ncc[nH]2)c1 ZINC000114418898 387125553 /nfs/dbraw/zinc/12/55/53/387125553.db2.gz COPFHVQYAYNMKF-CYBMUJFWSA-N 0 0 216.284 2.282 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C)o1 ZINC000033024052 387192811 /nfs/dbraw/zinc/19/28/11/387192811.db2.gz HSLOQPQVCFLQIG-GZMMTYOYSA-N 0 0 207.273 2.202 50 0 BEAARN CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC=CCC1 ZINC000075170576 387156280 /nfs/dbraw/zinc/15/62/80/387156280.db2.gz ONCJMTMBEOKBKK-RYUDHWBXSA-N 0 0 239.359 2.256 50 0 BEAARN Cc1cnc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000089702219 387184035 /nfs/dbraw/zinc/18/40/35/387184035.db2.gz CTHXAURJHWXPAZ-TXEJJXNPSA-N 0 0 245.326 2.047 50 0 BEAARN C[C@H]1SCCN(C(=O)C2CCC2)[C@@H]1C ZINC000089920008 387188484 /nfs/dbraw/zinc/18/84/84/387188484.db2.gz SSPODGTZOLVENR-RKDXNWHRSA-N 0 0 213.346 2.139 50 0 BEAARN c1cn(-c2cc(NC3CCCCC3)ncn2)cn1 ZINC000064543354 387212687 /nfs/dbraw/zinc/21/26/87/387212687.db2.gz PLEFCVJAFQZKTL-UHFFFAOYSA-N 0 0 243.314 2.407 50 0 BEAARN CCc1cccc(C)c1NC(=O)N1CCOCC1 ZINC000000397174 387216287 /nfs/dbraw/zinc/21/62/87/387216287.db2.gz ZQYUFOXLRPIDNP-UHFFFAOYSA-N 0 0 248.326 2.422 50 0 BEAARN Cc1onc(-c2ccccc2F)c1C(=O)N(C)C ZINC000064551812 387218538 /nfs/dbraw/zinc/21/85/38/387218538.db2.gz GNYZRJVNXAQZHA-UHFFFAOYSA-N 0 0 248.257 2.491 50 0 BEAARN COCc1nnc(-c2ccccc2F)o1 ZINC000064556898 387220888 /nfs/dbraw/zinc/22/08/88/387220888.db2.gz YZJFXBRUCXMVHZ-UHFFFAOYSA-N 0 0 208.192 2.022 50 0 BEAARN COCc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000064556915 387221064 /nfs/dbraw/zinc/22/10/64/387221064.db2.gz FYLPFMGVXSBRRQ-UHFFFAOYSA-N 0 0 218.256 2.500 50 0 BEAARN CC(=O)c1cc(C(=O)N2CCCCCC2)n(C)c1 ZINC000053574101 387254023 /nfs/dbraw/zinc/25/40/23/387254023.db2.gz CZDKGTITIKLMKJ-UHFFFAOYSA-N 0 0 248.326 2.244 50 0 BEAARN O=Cc1c2ccccc2oc1N1CCOCC1 ZINC000006598558 387264952 /nfs/dbraw/zinc/26/49/52/387264952.db2.gz XDGYSYZNHIDARI-UHFFFAOYSA-N 0 0 231.251 2.082 50 0 BEAARN O=C1N[C@@H]2[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000045027938 387274510 /nfs/dbraw/zinc/27/45/10/387274510.db2.gz STCNNDWFSZWTKE-FJBKBRRZSA-N 0 0 247.297 2.392 50 0 BEAARN CO[C@H]1C[C@]23CC(C)(C)C[C@H]2CC(=O)[C@@H]3CO1 ZINC000071786049 387288558 /nfs/dbraw/zinc/28/85/58/387288558.db2.gz VXWCNNGKLGPPTF-JCRCQARHSA-N 0 0 238.327 2.391 50 0 BEAARN CC[C@@H](C)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000083142070 387288578 /nfs/dbraw/zinc/28/85/78/387288578.db2.gz ZLNPFJGXHYBLDN-LLVKDONJSA-N 0 0 242.363 2.338 50 0 BEAARN CCCCN(CC)C(=O)Nc1cnns1 ZINC000192370583 387359649 /nfs/dbraw/zinc/35/96/49/387359649.db2.gz WDSNRYHNAZZCRT-UHFFFAOYSA-N 0 0 228.321 2.192 50 0 BEAARN CCc1ccccc1N1C(=S)N=NC1COC ZINC000006395292 387376667 /nfs/dbraw/zinc/37/66/67/387376667.db2.gz ZJAYLXBRYHLYJQ-UHFFFAOYSA-N 0 0 249.339 2.265 50 0 BEAARN CCCCN(CC)c1cn[nH]c(=O)c1Cl ZINC000001917438 387344485 /nfs/dbraw/zinc/34/44/85/387344485.db2.gz AZNCKQYTNLYIKG-UHFFFAOYSA-N 0 0 229.711 2.050 50 0 BEAARN Cc1noc(C2CN(Cc3ccsc3)C2)n1 ZINC000049482523 387423417 /nfs/dbraw/zinc/42/34/17/387423417.db2.gz AWIDPUJIMZDBAN-UHFFFAOYSA-N 0 0 235.312 2.039 50 0 BEAARN O=C(C1CCCCCC1)N1CCC[C@@H](CO)C1 ZINC000053715344 387435086 /nfs/dbraw/zinc/43/50/86/387435086.db2.gz UIFKZXKABWILKK-GFCCVEGCSA-N 0 0 239.359 2.188 50 0 BEAARN CONC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053720889 387448242 /nfs/dbraw/zinc/44/82/42/387448242.db2.gz UXQZWUSTBKOIGL-WCBMZHEXSA-N 0 0 223.272 2.013 50 0 BEAARN CONC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000053720884 387448630 /nfs/dbraw/zinc/44/86/30/387448630.db2.gz UXQZWUSTBKOIGL-SCZZXKLOSA-N 0 0 223.272 2.013 50 0 BEAARN Cc1ccc(C)c(C(=O)NCC[C@@H](O)C2CC2)c1 ZINC000077107519 387449191 /nfs/dbraw/zinc/44/91/91/387449191.db2.gz GABPNUXYEJYEDR-CQSZACIVSA-N 0 0 247.338 2.194 50 0 BEAARN COCSc1nccn1C(C)(C)C ZINC000088499911 387454043 /nfs/dbraw/zinc/45/40/43/387454043.db2.gz RVIIVONKUOYWCR-UHFFFAOYSA-N 0 0 200.307 2.334 50 0 BEAARN COC(=O)c1ccc([C@@H](C)N(C)CC(F)F)o1 ZINC000091555968 387457789 /nfs/dbraw/zinc/45/77/89/387457789.db2.gz SWIXSFBQRAWXCC-SSDOTTSWSA-N 0 0 247.241 2.324 50 0 BEAARN Cc1csc(C(=O)NCc2cnoc2C)c1 ZINC000575607135 387394424 /nfs/dbraw/zinc/39/44/24/387394424.db2.gz XRLUXQGUAZNBKK-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN Cc1nc2c(nc[nH]c2=O)nc1-c1ccccc1 ZINC000075271424 387493785 /nfs/dbraw/zinc/49/37/85/387493785.db2.gz BWJXOKFTPIWQEQ-UHFFFAOYSA-N 0 0 238.250 2.101 50 0 BEAARN CO[C@](C)(CSc1c[nH]nn1)c1ccccc1 ZINC000521395047 387501287 /nfs/dbraw/zinc/50/12/87/387501287.db2.gz YPUDZLYYVOVIBW-GFCCVEGCSA-N 0 0 249.339 2.459 50 0 BEAARN Cc1ccc(CC(=O)N[C@H](C)C2CC2)cc1O ZINC000089434075 387516140 /nfs/dbraw/zinc/51/61/40/387516140.db2.gz WNQKTPVMDAXQDD-SNVBAGLBSA-N 0 0 233.311 2.158 50 0 BEAARN CCONC(=O)c1cc(C)nc2ccccc21 ZINC000035217408 387474441 /nfs/dbraw/zinc/47/44/41/387474441.db2.gz KWQPKZDBBZKOGS-UHFFFAOYSA-N 0 0 230.267 2.225 50 0 BEAARN CC(C)c1ccc(NC(=O)c2cn[nH]n2)cc1 ZINC000108285896 387477778 /nfs/dbraw/zinc/47/77/78/387477778.db2.gz QZFYMAALHVUONB-UHFFFAOYSA-N 0 0 230.271 2.180 50 0 BEAARN CN(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000005068055 387480466 /nfs/dbraw/zinc/48/04/66/387480466.db2.gz YQTXMSKLCMTHJF-UHFFFAOYSA-N 0 0 247.125 2.494 50 0 BEAARN CCCCC[S@](=O)[C@@H]1CCO[C@H]1C ZINC000248822597 387484197 /nfs/dbraw/zinc/48/41/97/387484197.db2.gz FOCDLQJVYHHBNH-CWSCBRNRSA-N 0 0 204.335 2.103 50 0 BEAARN CCN1CSC2=N[C@@H]3CCCC[C@@H]3N2C1=O ZINC000075271522 387493182 /nfs/dbraw/zinc/49/31/82/387493182.db2.gz FTUBOFQSEYUZOP-BDAKNGLRSA-N 0 0 239.344 2.115 50 0 BEAARN Cn1nccc1-c1ccc(C(=O)NC2CC2)s1 ZINC000426711259 387587615 /nfs/dbraw/zinc/58/76/15/387587615.db2.gz ILQNWOYERAFKJY-UHFFFAOYSA-N 0 0 247.323 2.041 50 0 BEAARN CCn1ncnc1-c1c(OC)cc(C)cc1OC ZINC000426734242 387589188 /nfs/dbraw/zinc/58/91/88/387589188.db2.gz GNHKDJNOTBSWCA-UHFFFAOYSA-N 0 0 247.298 2.291 50 0 BEAARN C[C@H]1c2cccn2CCN1C(=O)C1CCC1 ZINC000032753029 387547960 /nfs/dbraw/zinc/54/79/60/387547960.db2.gz JFYNSPLVPRKYGZ-JTQLQIEISA-N 0 0 218.300 2.191 50 0 BEAARN CC[C@@H]1C=CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC000426414194 387567325 /nfs/dbraw/zinc/56/73/25/387567325.db2.gz BIHHKXDQYSIHFD-SSDOTTSWSA-N 0 0 241.241 2.138 50 0 BEAARN c1nn([C@H]2CCCCO2)cc1-c1cncnc1 ZINC000426479060 387575319 /nfs/dbraw/zinc/57/53/19/387575319.db2.gz WODIMDHMWPQEKM-GFCCVEGCSA-N 0 0 230.271 2.039 50 0 BEAARN CO[C@@H](C)c1cccc(-c2cncc(=O)[nH]2)c1 ZINC000426525772 387579249 /nfs/dbraw/zinc/57/92/49/387579249.db2.gz AQBLSRRYIIVFIH-VIFPVBQESA-N 0 0 230.267 2.144 50 0 BEAARN O=C(CNc1ccccc1)NCC1(C2CC2)CC1 ZINC000125463930 387655412 /nfs/dbraw/zinc/65/54/12/387655412.db2.gz VVUFANPOUHJDFS-UHFFFAOYSA-N 0 0 244.338 2.405 50 0 BEAARN Cc1cc(C)cc(CN2C(=O)CSC2=O)c1 ZINC000004105382 177897970 /nfs/dbraw/zinc/89/79/70/177897970.db2.gz UWQXVLOYJHTHPQ-UHFFFAOYSA-N 0 0 235.308 2.499 50 0 BEAARN Cc1cc(C)cc(NC(=O)[C@@H](C)n2cncn2)c1 ZINC000027581197 177906796 /nfs/dbraw/zinc/90/67/96/177906796.db2.gz APIBGVAZBXKCFW-LLVKDONJSA-N 0 0 244.298 2.095 50 0 BEAARN Cc1ccc(C(=O)NCC2CC2)c(C)c1 ZINC000032909803 387785029 /nfs/dbraw/zinc/78/50/29/387785029.db2.gz CWWWKMLDSCIOIY-UHFFFAOYSA-N 0 0 203.285 2.443 50 0 BEAARN Cc1cc(C)cc(C(=O)NCC2CC2)c1 ZINC000032909798 387786206 /nfs/dbraw/zinc/78/62/06/387786206.db2.gz NYWAXNZAMGRIIV-UHFFFAOYSA-N 0 0 203.285 2.443 50 0 BEAARN CCC[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000001726743 387795065 /nfs/dbraw/zinc/79/50/65/387795065.db2.gz INSBYDPTVROSPB-LLVKDONJSA-N 0 0 207.273 2.030 50 0 BEAARN COC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000096024773 387851918 /nfs/dbraw/zinc/85/19/18/387851918.db2.gz OINCZNUCGWDCGS-UHFFFAOYSA-N 0 0 234.173 2.301 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC12CC(=O)C2 ZINC000261507534 387863793 /nfs/dbraw/zinc/86/37/93/387863793.db2.gz JQHIUJAHRNWYPJ-UHFFFAOYSA-N 0 0 225.288 2.119 50 0 BEAARN CCOCCOc1ccc(C)nc1CC ZINC000190764415 387870834 /nfs/dbraw/zinc/87/08/34/387870834.db2.gz BYNALRCDYHNWCM-UHFFFAOYSA-N 0 0 209.289 2.368 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)c2ccc(C)o2)on1 ZINC000039981952 177810173 /nfs/dbraw/zinc/81/01/73/177810173.db2.gz OXHVFSIBEPDKFY-SECBINFHSA-N 0 0 234.255 2.375 50 0 BEAARN Cc1cc(C(=O)NCc2ccncc2)cs1 ZINC000016603430 177793903 /nfs/dbraw/zinc/79/39/03/177793903.db2.gz LWUBBCWBASYCFK-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Cc1cc(C(=O)NCCc2ccccc2C)no1 ZINC000045600627 177785877 /nfs/dbraw/zinc/78/58/77/177785877.db2.gz MNCNALQVXURFSD-UHFFFAOYSA-N 0 0 244.294 2.264 50 0 BEAARN C[C@@H](O)CCN(C)c1ncccc1C(F)(F)F ZINC000084637241 388080714 /nfs/dbraw/zinc/08/07/14/388080714.db2.gz PSVBGICKCXNTAF-MRVPVSSYSA-N 0 0 248.248 2.308 50 0 BEAARN CSCCCOc1c(C)nn(C)c1C ZINC000089512257 388048139 /nfs/dbraw/zinc/04/81/39/388048139.db2.gz NQVXNQZQSPJBLE-UHFFFAOYSA-N 0 0 214.334 2.169 50 0 BEAARN Cc1cc(C(=O)NC2CCCCCC2)[nH]n1 ZINC000047339399 177776098 /nfs/dbraw/zinc/77/60/98/177776098.db2.gz FTJQTMCLVRDWMC-UHFFFAOYSA-N 0 0 221.304 2.171 50 0 BEAARN CCOc1ccccc1NC(=O)[C@@H]1CC[C@H](O)C1 ZINC000170090641 388258116 /nfs/dbraw/zinc/25/81/16/388258116.db2.gz KDPGSLNDWUTWNG-MNOVXSKESA-N 0 0 249.310 2.185 50 0 BEAARN Fc1ccc([C@@H]2CN(CC(F)F)CCO2)cc1 ZINC000170622110 388261020 /nfs/dbraw/zinc/26/10/20/388261020.db2.gz NCZWNLSPVJBNHF-NSHDSACASA-N 0 0 245.244 2.464 50 0 BEAARN CC(C)(C)CNC(=O)c1ccc2c(c1)CCO2 ZINC000065717948 388247608 /nfs/dbraw/zinc/24/76/08/388247608.db2.gz MBEMYOSIZQDMEQ-UHFFFAOYSA-N 0 0 233.311 2.397 50 0 BEAARN C1CC1c1noc(N[C@H]2CCC[C@H]3OCC[C@@H]32)n1 ZINC000089598047 388352786 /nfs/dbraw/zinc/35/27/86/388352786.db2.gz XZBKCWOLPLCESY-OUAUKWLOSA-N 0 0 249.314 2.317 50 0 BEAARN CCCN1c2ccccc2[C@H](C(N)=O)C[C@H]1C ZINC000230194562 388363792 /nfs/dbraw/zinc/36/37/92/388363792.db2.gz JATCQMNAJOMXKN-ZYHUDNBSSA-N 0 0 232.327 2.264 50 0 BEAARN CC(C)(C)c1nccc(N2CCCC[C@H]2CO)n1 ZINC000089761526 388366514 /nfs/dbraw/zinc/36/65/14/388366514.db2.gz AHLDVJNKCABJRR-NSHDSACASA-N 0 0 249.358 2.125 50 0 BEAARN O=C([O-])C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000089830471 388369388 /nfs/dbraw/zinc/36/93/88/388369388.db2.gz RDXOCCLKEJWZMX-ZDUSSCGKSA-N 0 0 233.311 2.168 50 0 BEAARN Cc1ccnc(SCC(=O)C(C)(C)C)n1 ZINC000003225141 388369831 /nfs/dbraw/zinc/36/98/31/388369831.db2.gz PHGHMYLWPZCUMY-UHFFFAOYSA-N 0 0 224.329 2.492 50 0 BEAARN CCO[C@@H](C)c1nc(Cn2cccn2)cs1 ZINC000076062592 388371363 /nfs/dbraw/zinc/37/13/63/388371363.db2.gz DBYINZLBBPDVHL-VIFPVBQESA-N 0 0 237.328 2.485 50 0 BEAARN C[C@@H](CNC(=O)NC1CC1)Cc1cccs1 ZINC000076066647 388372687 /nfs/dbraw/zinc/37/26/87/388372687.db2.gz KZEOFHBRYRVIKH-SECBINFHSA-N 0 0 238.356 2.388 50 0 BEAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccon2)cc1 ZINC000016973173 388375219 /nfs/dbraw/zinc/37/52/19/388375219.db2.gz GNLROFZFUYMNRI-JTQLQIEISA-N 0 0 246.266 2.389 50 0 BEAARN c1csc(CSc2nccn3ccnc23)n1 ZINC000193593400 388392233 /nfs/dbraw/zinc/39/22/33/388392233.db2.gz OTOIBIWHGUFMQL-UHFFFAOYSA-N 0 0 248.336 2.478 50 0 BEAARN O=C(CCC(=O)N1CCCC1)c1ccccc1 ZINC000032218375 388393243 /nfs/dbraw/zinc/39/32/43/388393243.db2.gz YTNHDSKQOYLWEY-UHFFFAOYSA-N 0 0 231.295 2.272 50 0 BEAARN C[C@](C[NH3+])(Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000011979623 388396269 /nfs/dbraw/zinc/39/62/69/388396269.db2.gz FCIIPADFOOAKAY-LLVKDONJSA-N 0 0 245.681 2.071 50 0 BEAARN C[C@H](NC(=O)c1ccnn1C)c1ccc(F)cc1 ZINC000032519368 388398448 /nfs/dbraw/zinc/39/84/48/388398448.db2.gz MUSKSUHZNYQSPX-VIFPVBQESA-N 0 0 247.273 2.050 50 0 BEAARN O=C(Nc1ncccc1O)c1cccs1 ZINC000009694247 388440150 /nfs/dbraw/zinc/44/01/50/388440150.db2.gz KTJFTHWLBRWHDI-UHFFFAOYSA-N 0 0 220.253 2.101 50 0 BEAARN COC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C)nn1 ZINC000037527386 388453098 /nfs/dbraw/zinc/45/30/98/388453098.db2.gz WHKNFVUBXVJIEX-UWVGGRQHSA-N 0 0 249.314 2.254 50 0 BEAARN CCCCNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000068322725 388409873 /nfs/dbraw/zinc/40/98/73/388409873.db2.gz FPAYFUMUGXCBRD-QMMMGPOBSA-N 0 0 224.131 2.487 50 0 BEAARN O=C(/C=C/c1cccnc1)NCc1ccccc1 ZINC000040050017 388412074 /nfs/dbraw/zinc/41/20/74/388412074.db2.gz LYSMOLAIHRQHIO-CMDGGOBGSA-N 0 0 238.290 2.411 50 0 BEAARN CCOc1ccc(/C=C/C(=O)N2CCC2)cc1 ZINC000069323611 388414320 /nfs/dbraw/zinc/41/43/20/388414320.db2.gz JZFMYCLZCLHGMO-RMKNXTFCSA-N 0 0 231.295 2.331 50 0 BEAARN Cc1cc(CN2CCO[C@H]3CCCC[C@H]32)on1 ZINC000245266995 388414808 /nfs/dbraw/zinc/41/48/08/388414808.db2.gz LARYEZURLACHHL-OLZOCXBDSA-N 0 0 236.315 2.126 50 0 BEAARN CC(C)(C)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000069494414 388417724 /nfs/dbraw/zinc/41/77/24/388417724.db2.gz MEMFNBRMCHBAMW-LLVKDONJSA-N 0 0 227.348 2.090 50 0 BEAARN O=C1OCC[C@H]1N[C@@H](c1ccccc1)C1CCC1 ZINC000069492646 388418093 /nfs/dbraw/zinc/41/80/93/388418093.db2.gz IZMJJSKCWHQUQA-KGLIPLIRSA-N 0 0 245.322 2.433 50 0 BEAARN CON(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069536703 388419986 /nfs/dbraw/zinc/41/99/86/388419986.db2.gz QXDZTIBRVGKXGY-UHFFFAOYSA-N 0 0 223.316 2.223 50 0 BEAARN Cc1cnn([C@@H](C)[C@H](C)NCc2cc(C)on2)c1 ZINC000069562768 388420565 /nfs/dbraw/zinc/42/05/65/388420565.db2.gz BSHOAKYEHIVCMS-RYUDHWBXSA-N 0 0 248.330 2.227 50 0 BEAARN C[C@H](NC(=O)NCc1ccc(F)cc1)C1CC1 ZINC000009256955 388426045 /nfs/dbraw/zinc/42/60/45/388426045.db2.gz OEPHAXLYXFYEPE-VIFPVBQESA-N 0 0 236.290 2.423 50 0 BEAARN Cc1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC000070039812 388432266 /nfs/dbraw/zinc/43/22/66/388432266.db2.gz HVBPQZCEQAGQKN-UHFFFAOYSA-N 0 0 217.243 2.344 50 0 BEAARN Cc1noc(C)c1CSCC(=O)NC(C)C ZINC000041294824 388435090 /nfs/dbraw/zinc/43/50/90/388435090.db2.gz JCDHYAMKQKKNMR-UHFFFAOYSA-N 0 0 242.344 2.049 50 0 BEAARN COC(=O)c1cccc(NC(=O)c2ccoc2)c1 ZINC000009497489 388435560 /nfs/dbraw/zinc/43/55/60/388435560.db2.gz RCTSBSPHEZUQQC-UHFFFAOYSA-N 0 0 245.234 2.319 50 0 BEAARN CCc1ccc([C@@H]2CN(C(C)=O)CCO2)cc1 ZINC000041380445 388435791 /nfs/dbraw/zinc/43/57/91/388435791.db2.gz JQQXORVDLAIKEZ-AWEZNQCLSA-N 0 0 233.311 2.169 50 0 BEAARN CCS[C@H]1CC[C@@H]([N@H+](C)CCCC(=O)[O-])C1 ZINC000174344064 388438761 /nfs/dbraw/zinc/43/87/61/388438761.db2.gz YXEZTWPSOVBOGF-MNOVXSKESA-N 0 0 245.388 2.457 50 0 BEAARN CCS[C@@H]1CC[C@@H]([N@H+](C)CCCC(=O)[O-])C1 ZINC000174344050 388439600 /nfs/dbraw/zinc/43/96/00/388439600.db2.gz YXEZTWPSOVBOGF-GHMZBOCLSA-N 0 0 245.388 2.457 50 0 BEAARN COCCC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000528576616 388548109 /nfs/dbraw/zinc/54/81/09/388548109.db2.gz CMFNJJSXWRXKLH-UHFFFAOYSA-N 0 0 249.358 2.034 50 0 BEAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)on1 ZINC000071867169 177744043 /nfs/dbraw/zinc/74/40/43/177744043.db2.gz HQMAKPKRSDQYOT-SECBINFHSA-N 0 0 234.255 2.409 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2cc(C)on2)o1 ZINC000047466129 177740150 /nfs/dbraw/zinc/74/01/50/177740150.db2.gz LFGXHFCQLQANNZ-UHFFFAOYSA-N 0 0 234.255 2.157 50 0 BEAARN CSc1cncc(NCc2ccncc2)n1 ZINC000130644623 388588726 /nfs/dbraw/zinc/58/87/26/388588726.db2.gz VPEHUSGMWOMJPL-UHFFFAOYSA-N 0 0 232.312 2.206 50 0 BEAARN Cc1cccc(N2CC[C@@H]3OCCC[C@H]3C2)n1 ZINC000253370003 388588944 /nfs/dbraw/zinc/58/89/44/388588944.db2.gz KXTCLVQVFQHQEV-STQMWFEESA-N 0 0 232.327 2.395 50 0 BEAARN Cc1ccc(CC(=O)OC[C@]2(C)CCCO2)cn1 ZINC000253424157 388592306 /nfs/dbraw/zinc/59/23/06/388592306.db2.gz BAGIDJLHCVKGAY-AWEZNQCLSA-N 0 0 249.310 2.045 50 0 BEAARN Cc1nn(C)cc1CN1CCOc2ccccc21 ZINC000154755770 388593846 /nfs/dbraw/zinc/59/38/46/388593846.db2.gz BWQABEWOYFCNJR-UHFFFAOYSA-N 0 0 243.310 2.128 50 0 BEAARN c1ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc1 ZINC000225274214 388594823 /nfs/dbraw/zinc/59/48/23/388594823.db2.gz WSGJFAJTPSMXBT-QJPTWQEYSA-N 0 0 218.300 2.451 50 0 BEAARN CCn1cc(OCc2ccc(OC)cc2)cn1 ZINC000228133973 388595761 /nfs/dbraw/zinc/59/57/61/388595761.db2.gz ZADGLGFOCSRVFN-UHFFFAOYSA-N 0 0 232.283 2.491 50 0 BEAARN CC1(C)CC(C[N@H+](CC(=O)[O-])C2CCC2)C1 ZINC000530165167 388618146 /nfs/dbraw/zinc/61/81/46/388618146.db2.gz GHSWDTIFZWGNIY-UHFFFAOYSA-N 0 0 225.332 2.362 50 0 BEAARN CCc1ccccc1NC(=O)[C@H]1CCCO1 ZINC000001480329 388611285 /nfs/dbraw/zinc/61/12/85/388611285.db2.gz PDJPGHWLMPBBMV-GFCCVEGCSA-N 0 0 219.284 2.367 50 0 BEAARN Nc1cncc(-n2cnc3ccccc32)c1 ZINC000065399257 388676395 /nfs/dbraw/zinc/67/63/95/388676395.db2.gz NGIAANBMBYGBMF-UHFFFAOYSA-N 0 0 210.240 2.003 50 0 BEAARN O=C([C@H]1CCOC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114438364 388681850 /nfs/dbraw/zinc/68/18/50/388681850.db2.gz CPHKZMURMLEPPC-ZFWWWQNUSA-N 0 0 249.354 2.372 50 0 BEAARN C[C@H](O)C[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000108325428 388619277 /nfs/dbraw/zinc/61/92/77/388619277.db2.gz BSFLWGWMCXAUIN-XQQFMLRXSA-N 0 0 237.343 2.105 50 0 BEAARN COC(=O)c1ccc2cccnc2c1C ZINC000091302192 388684340 /nfs/dbraw/zinc/68/43/40/388684340.db2.gz HYUFGCAJWJEANP-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN CCC[C@H](C)NS(=O)(=O)c1ccc(F)cc1 ZINC000000562740 388627404 /nfs/dbraw/zinc/62/74/04/388627404.db2.gz HMKVNYXOXOEDSM-VIFPVBQESA-N 0 0 245.319 2.293 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1cnn(C)c1 ZINC000254296740 388635569 /nfs/dbraw/zinc/63/55/69/388635569.db2.gz KZHNUUCEZWRKEN-FZJVHEGESA-N 0 0 247.342 2.128 50 0 BEAARN Cc1cscc1NC(=O)NCC(F)F ZINC000123806844 388736023 /nfs/dbraw/zinc/73/60/23/388736023.db2.gz MQCRBNXZFUDDQT-UHFFFAOYSA-N 0 0 220.244 2.443 50 0 BEAARN Cc1ccc(OCc2cnc(C)cn2)nc1 ZINC000078953758 388741276 /nfs/dbraw/zinc/74/12/76/388741276.db2.gz XECWIWPZUCNEOC-UHFFFAOYSA-N 0 0 215.256 2.067 50 0 BEAARN CCNC(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000078933028 388741893 /nfs/dbraw/zinc/74/18/93/388741893.db2.gz VWXABLTYOFEGDK-SNVBAGLBSA-N 0 0 233.315 2.337 50 0 BEAARN CCS[C@@H]1CCC[C@H](NC(=O)CCOC)C1 ZINC000079013372 388743066 /nfs/dbraw/zinc/74/30/66/388743066.db2.gz OHJLCUGFGXPSLQ-WDEREUQCSA-N 0 0 245.388 2.203 50 0 BEAARN CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000225462320 388708490 /nfs/dbraw/zinc/70/84/90/388708490.db2.gz WCRQUMHXPMAXSS-WDEREUQCSA-N 0 0 213.321 2.362 50 0 BEAARN CC[C@@H](C)C(=O)NCCCn1nc(C)cc1C ZINC000055312430 388716589 /nfs/dbraw/zinc/71/65/89/388716589.db2.gz KKWAUGGIMNWORT-SNVBAGLBSA-N 0 0 237.347 2.052 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1cccc(C)c1 ZINC000012850929 388724803 /nfs/dbraw/zinc/72/48/03/388724803.db2.gz YNYNVDCUXOKBEY-SNVBAGLBSA-N 0 0 222.288 2.151 50 0 BEAARN COc1ccc(CC2N=NC(=S)S2)cc1 ZINC000013115090 388728866 /nfs/dbraw/zinc/72/88/66/388728866.db2.gz DWPUWGPGTLFHST-UHFFFAOYSA-N 0 0 238.337 2.426 50 0 BEAARN CC[C@@H](C)N(C)C(=O)c1ccc(C(=O)OC)cc1 ZINC000095948671 388794069 /nfs/dbraw/zinc/79/40/69/388794069.db2.gz RJHBQSKWHUVYEB-SNVBAGLBSA-N 0 0 249.310 2.344 50 0 BEAARN Cc1cnc(N[C@H]2CCC[C@]2(C)CO)nc1C ZINC000095978541 388797102 /nfs/dbraw/zinc/79/71/02/388797102.db2.gz HAYKHPJOYJHYGP-WCQYABFASA-N 0 0 235.331 2.056 50 0 BEAARN C[C@H](C[C@H](O)c1cccs1)Nc1ncccn1 ZINC000095973067 388797759 /nfs/dbraw/zinc/79/77/59/388797759.db2.gz BOMTZTYGZXMGKJ-ZJUUUORDSA-N 0 0 249.339 2.462 50 0 BEAARN C[C@H](Cc1cccnc1)OC(=O)C[C@H]1CCCO1 ZINC000095987703 388800415 /nfs/dbraw/zinc/80/04/15/388800415.db2.gz AUUKXDZIAHGXJB-DGCLKSJQSA-N 0 0 249.310 2.125 50 0 BEAARN COCC[C@H](C)Nc1cccc(-c2nc[nH]n2)c1 ZINC000095991624 388801822 /nfs/dbraw/zinc/80/18/22/388801822.db2.gz SMROHHNZPAHZMV-JTQLQIEISA-N 0 0 246.314 2.309 50 0 BEAARN COCc1nc(CNc2cc(C)on2)cs1 ZINC000095990330 388802293 /nfs/dbraw/zinc/80/22/93/388802293.db2.gz MIGLOBJZGCRKBT-UHFFFAOYSA-N 0 0 239.300 2.198 50 0 BEAARN COC(=O)c1ccc(Cn2ccnc2C)c(F)c1 ZINC000095990945 388802317 /nfs/dbraw/zinc/80/23/17/388802317.db2.gz CEQSIZNGKYHTDT-UHFFFAOYSA-N 0 0 248.257 2.166 50 0 BEAARN CC/C=C(\C)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000096298152 388814129 /nfs/dbraw/zinc/81/41/29/388814129.db2.gz AYGPMVWHBSFGAP-WEVVVXLNSA-N 0 0 247.298 2.472 50 0 BEAARN CC(C)CCNC(=O)c1ccc2c[nH]nc2c1 ZINC000021540999 388811909 /nfs/dbraw/zinc/81/19/09/388811909.db2.gz NCBLTCGDBKNNNS-UHFFFAOYSA-N 0 0 231.299 2.339 50 0 BEAARN Cc1[nH]nc(NC(=O)Cc2ccccc2)c1C ZINC000020256889 388760563 /nfs/dbraw/zinc/76/05/63/388760563.db2.gz SZGXMQNXRSCLSF-UHFFFAOYSA-N 0 0 229.283 2.208 50 0 BEAARN Cc1cc(C[C@@H](C)Nc2nnc(C3CC3)o2)n[nH]1 ZINC000095366524 388763895 /nfs/dbraw/zinc/76/38/95/388763895.db2.gz YEZIALUNLOKQLN-SSDOTTSWSA-N 0 0 247.302 2.022 50 0 BEAARN CCO[C@H]1C[C@H](NC(C)=O)C12CCCCC2 ZINC000095402003 388766005 /nfs/dbraw/zinc/76/60/05/388766005.db2.gz CXLNJOZSTFFEFK-RYUDHWBXSA-N 0 0 225.332 2.250 50 0 BEAARN CC(C)COC[C@H](C)NC(=O)NC(C)(C)C ZINC000095411238 388767969 /nfs/dbraw/zinc/76/79/69/388767969.db2.gz XLESSHYBBLGKLF-JTQLQIEISA-N 0 0 230.352 2.145 50 0 BEAARN CCOc1ccccc1N(C)C(=O)[C@@H]1CCOC1 ZINC000095438315 388771976 /nfs/dbraw/zinc/77/19/76/388771976.db2.gz ZKGHNCUQKDKKIZ-LLVKDONJSA-N 0 0 249.310 2.085 50 0 BEAARN CC[C@@H](C)n1[nH]cc2nc(-c3cnn(C)c3)nc1-2 ZINC000020534216 388775367 /nfs/dbraw/zinc/77/53/67/388775367.db2.gz CSUKIKGTEXPFQS-MRVPVSSYSA-N 0 0 244.302 2.131 50 0 BEAARN CCOc1cccc(C(=O)Nc2cnccn2)c1 ZINC000125469427 388787827 /nfs/dbraw/zinc/78/78/27/388787827.db2.gz KAWGULRUYPZGLY-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN CCCCOCC(=O)Nc1cc(F)ccc1O ZINC000096452118 388819294 /nfs/dbraw/zinc/81/92/94/388819294.db2.gz KOTJOGQADPNDFI-UHFFFAOYSA-N 0 0 241.262 2.287 50 0 BEAARN CCCc1cnc(NC(=O)c2ccon2)s1 ZINC000096494104 388819702 /nfs/dbraw/zinc/81/97/02/388819702.db2.gz APXAKJOAEFDLTC-UHFFFAOYSA-N 0 0 237.284 2.336 50 0 BEAARN c1cnc(N2C[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000096455870 388820183 /nfs/dbraw/zinc/82/01/83/388820183.db2.gz POMAOTUOQLFIFH-PHIMTYICSA-N 0 0 203.289 2.103 50 0 BEAARN CCCc1nnnn1Cc1csc(C2CC2)n1 ZINC000096485301 388820285 /nfs/dbraw/zinc/82/02/85/388820285.db2.gz ILQPWVPAYOOEGU-UHFFFAOYSA-N 0 0 249.343 2.008 50 0 BEAARN Cc1ccsc1-c1cc(C)nc(N)n1 ZINC000002509224 177696392 /nfs/dbraw/zinc/69/63/92/177696392.db2.gz IKUKXBARAREVFJ-UHFFFAOYSA-N 0 0 205.286 2.404 50 0 BEAARN CCCCN(CC)c1nccc(OC)n1 ZINC000096967087 388827897 /nfs/dbraw/zinc/82/78/97/388827897.db2.gz HIHBRUOYTKQHDQ-UHFFFAOYSA-N 0 0 209.293 2.112 50 0 BEAARN C[C@H]1OCC[C@@H]1Sc1ccc2nccnc2n1 ZINC000097021248 388829453 /nfs/dbraw/zinc/82/94/53/388829453.db2.gz AGQPHFRTFSHPNK-SCZZXKLOSA-N 0 0 247.323 2.294 50 0 BEAARN Cc1ccn(Cc2cccc3c2OCCO3)n1 ZINC000097021483 388829526 /nfs/dbraw/zinc/82/95/26/388829526.db2.gz JEIAPZPCBTVOKQ-UHFFFAOYSA-N 0 0 230.267 2.011 50 0 BEAARN Cc1nccc(N2CCOC[C@@H]2CC(C)C)n1 ZINC000097013881 388830677 /nfs/dbraw/zinc/83/06/77/388830677.db2.gz VGARPFLLQPVVIH-LBPRGKRZSA-N 0 0 235.331 2.036 50 0 BEAARN CCCC(=O)O[C@H]1CCC[C@H](OC)C1 ZINC000097043820 388830996 /nfs/dbraw/zinc/83/09/96/388830996.db2.gz PBAOROBUXMOYKP-UWVGGRQHSA-N 0 0 200.278 2.287 50 0 BEAARN COC[C@@H](NCc1ncccc1C)c1ccco1 ZINC000097238400 388836174 /nfs/dbraw/zinc/83/61/74/388836174.db2.gz ATRUQMWCMGHICT-CYBMUJFWSA-N 0 0 246.310 2.460 50 0 BEAARN CC(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000005378574 322814640 /nfs/dbraw/zinc/81/46/40/322814640.db2.gz RBKKUUZGVQNUQE-UHFFFAOYSA-N 0 0 234.299 2.173 50 0 BEAARN CSCCCCC(=O)Nc1nccc(C)n1 ZINC000194663356 388862979 /nfs/dbraw/zinc/86/29/79/388862979.db2.gz OHSGRTTVJBDHGR-UHFFFAOYSA-N 0 0 239.344 2.257 50 0 BEAARN Cc1nnc(NC(=O)c2cccs2)n1C1CC1 ZINC000252489925 388863134 /nfs/dbraw/zinc/86/31/34/388863134.db2.gz KEZJTNCQSBMLMF-UHFFFAOYSA-N 0 0 248.311 2.235 50 0 BEAARN Cc1cc(-c2nc([C@H]3CCOC3)no2)c(C)n1C ZINC000096150419 177694196 /nfs/dbraw/zinc/69/41/96/177694196.db2.gz WPYRDNFOBRJPPW-JTQLQIEISA-N 0 0 247.298 2.196 50 0 BEAARN C[C@H]1CCCCN1c1cc(Cl)nc(N)n1 ZINC000043534469 132353283 /nfs/dbraw/zinc/35/32/83/132353283.db2.gz JXZMQPUMUHSDIG-ZETCQYMHSA-N 0 0 226.711 2.091 50 0 BEAARN C[C@@H]1CCCCN1c1cc(Cl)nc(N)n1 ZINC000043534467 132353412 /nfs/dbraw/zinc/35/34/12/132353412.db2.gz JXZMQPUMUHSDIG-SSDOTTSWSA-N 0 0 226.711 2.091 50 0 BEAARN C/C=C/C(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000015671176 322825310 /nfs/dbraw/zinc/82/53/10/322825310.db2.gz PBFPNGRDAYNHPS-YVGDHZEHSA-N 0 0 244.294 2.326 50 0 BEAARN Cc1cnc(C)nc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000328600137 132243670 /nfs/dbraw/zinc/24/36/70/132243670.db2.gz VVIHWKMBXORONB-GWCFXTLKSA-N 0 0 247.342 2.097 50 0 BEAARN O=C(c1cnccn1)N1CCCc2ccccc21 ZINC000000418335 132282202 /nfs/dbraw/zinc/28/22/02/132282202.db2.gz FDOZVYXATUOQPZ-UHFFFAOYSA-N 0 0 239.278 2.070 50 0 BEAARN CN1CN(c2ccccc2)CSC1=S ZINC000000410229 132313771 /nfs/dbraw/zinc/31/37/71/132313771.db2.gz DYRDLRADNXJJEH-UHFFFAOYSA-N 0 0 224.354 2.372 50 0 BEAARN CC(C)C(=O)Nc1ccccc1N1CCOCC1 ZINC000003116955 132315358 /nfs/dbraw/zinc/31/53/58/132315358.db2.gz KDUFMVIBIKORAP-UHFFFAOYSA-N 0 0 248.326 2.118 50 0 BEAARN CCC(=O)NCCc1ccc2c(c1)CCCN2C ZINC000013006700 132321769 /nfs/dbraw/zinc/32/17/69/132321769.db2.gz SJEGLQDFLAWPSL-UHFFFAOYSA-N 0 0 246.354 2.138 50 0 BEAARN O=C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000019422360 132324978 /nfs/dbraw/zinc/32/49/78/132324978.db2.gz MTKRSQNGRLYWCQ-UHFFFAOYSA-N 0 0 244.216 2.270 50 0 BEAARN C[C@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1 ZINC000020078939 132329721 /nfs/dbraw/zinc/32/97/21/132329721.db2.gz OGVXOBJOPFDWIY-QWRGUYRKSA-N 0 0 219.284 2.113 50 0 BEAARN Cc1noc2ncnc(N3CCC(C)CC3)c12 ZINC000020575126 132331741 /nfs/dbraw/zinc/33/17/41/132331741.db2.gz JYAMASRNJLDSCB-UHFFFAOYSA-N 0 0 232.287 2.163 50 0 BEAARN Cc1noc2ncnc(N3CCCC[C@H]3C)c12 ZINC000020941874 132332092 /nfs/dbraw/zinc/33/20/92/132332092.db2.gz WGFNZSHVUROCQV-MRVPVSSYSA-N 0 0 232.287 2.305 50 0 BEAARN C[C@@H]1CN(c2ncnc3ccccc32)[C@H](C)CO1 ZINC000034870116 132337037 /nfs/dbraw/zinc/33/70/37/132337037.db2.gz AWSDCGJYXVSDQE-GHMZBOCLSA-N 0 0 243.310 2.243 50 0 BEAARN O=C(c1ccc[nH]1)N1CCOc2ccccc21 ZINC000063770034 132389369 /nfs/dbraw/zinc/38/93/69/132389369.db2.gz OQXGDYNLAOULTC-UHFFFAOYSA-N 0 0 228.251 2.054 50 0 BEAARN CC(C)NC(=O)N1CCOc2ccccc21 ZINC000064554718 132389486 /nfs/dbraw/zinc/38/94/86/132389486.db2.gz AMWDJGNUMHAYGQ-UHFFFAOYSA-N 0 0 220.272 2.003 50 0 BEAARN C[C@@H]1CCCN(c2ncccc2C(=O)N(C)C)C1 ZINC000064552318 132389754 /nfs/dbraw/zinc/38/97/54/132389754.db2.gz HSHKLRMIJDRGKY-LLVKDONJSA-N 0 0 247.342 2.020 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCCc2ncccc21 ZINC000069514797 132390534 /nfs/dbraw/zinc/39/05/34/132390534.db2.gz OLAMLSJLYGEJSG-NXEZZACHSA-N 0 0 216.284 2.017 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000081074408 132412375 /nfs/dbraw/zinc/41/23/75/132412375.db2.gz UBFVARLRHWGQHG-KOLCDFICSA-N 0 0 248.301 2.265 50 0 BEAARN Clc1cc(Cl)nc(N2CCOCC2)c1 ZINC000091365842 132428321 /nfs/dbraw/zinc/42/83/21/132428321.db2.gz DEAXCAUYSPNKPN-UHFFFAOYSA-N 0 0 233.098 2.225 50 0 BEAARN O=Cc1cccnc1N1CCC(F)(F)CC1 ZINC000169725584 132445683 /nfs/dbraw/zinc/44/56/83/132445683.db2.gz ABXMRQRRLMRLRN-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN CC1=CCCN(C(=O)NCC[C@H](C)F)C1 ZINC000334682790 133720762 /nfs/dbraw/zinc/72/07/62/133720762.db2.gz HJEKNGQMVVTVTH-JTQLQIEISA-N 0 0 214.284 2.096 50 0 BEAARN CSCc1ccc(C(=O)N2CCC2)cc1 ZINC000032731927 133745197 /nfs/dbraw/zinc/74/51/97/133745197.db2.gz ZOOSPCAYJANETP-UHFFFAOYSA-N 0 0 221.325 2.396 50 0 BEAARN CN(Cc1ccoc1)C(=O)c1cc(F)c[nH]1 ZINC000335895700 133952928 /nfs/dbraw/zinc/95/29/28/133952928.db2.gz ULSAVFYCAZGXNK-UHFFFAOYSA-N 0 0 222.219 2.019 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@@H]2CF)oc1C ZINC000335977065 134031767 /nfs/dbraw/zinc/03/17/67/134031767.db2.gz KORCHRKXHGGIBY-SNVBAGLBSA-N 0 0 225.263 2.471 50 0 BEAARN O=C(NCC(F)F)[C@@H]1CCCC(F)(F)C1 ZINC000336158363 134106690 /nfs/dbraw/zinc/10/66/90/134106690.db2.gz WBHSUANJFIVBKD-ZCFIWIBFSA-N 0 0 227.201 2.193 50 0 BEAARN FC1(F)CCC[C@@H]1CSc1nc[nH]n1 ZINC000336195038 134125816 /nfs/dbraw/zinc/12/58/16/134125816.db2.gz DDPHJHLGBLZVPK-ZCFIWIBFSA-N 0 0 219.260 2.332 50 0 BEAARN O=C(Nc1cccc(O)c1)c1cc(F)c[nH]1 ZINC000336212474 134135304 /nfs/dbraw/zinc/13/53/04/134135304.db2.gz AKMOHOSWDNATSV-UHFFFAOYSA-N 0 0 220.203 2.112 50 0 BEAARN COc1ccc(-c2ccnc3nccn32)cc1 ZINC000334161020 134159799 /nfs/dbraw/zinc/15/97/99/134159799.db2.gz RJJKVCXLZQJUDL-UHFFFAOYSA-N 0 0 225.251 2.405 50 0 BEAARN Cc1ccccc1N1N[C@](C)(C2CC2)NC1=O ZINC000334160616 134159962 /nfs/dbraw/zinc/15/99/62/134159962.db2.gz ITHNPXSPGBHJHR-CYBMUJFWSA-N 0 0 231.299 2.155 50 0 BEAARN CO[C@@H]1Cc2ccc(NC(=O)C(F)F)cc2C1 ZINC000408514904 134808730 /nfs/dbraw/zinc/80/87/30/134808730.db2.gz PCHOGEHPAXFKKK-SNVBAGLBSA-N 0 0 241.237 2.004 50 0 BEAARN CC(C)c1csc(-c2nnsc2N)n1 ZINC000408524462 134809649 /nfs/dbraw/zinc/80/96/49/134809649.db2.gz URJUDCUJQTWDSD-UHFFFAOYSA-N 0 0 226.330 2.367 50 0 BEAARN O=c1[nH]c2cc(OCC[C@@H]3CCCO3)ccc2o1 ZINC000408524976 134810033 /nfs/dbraw/zinc/81/00/33/134810033.db2.gz FEGQBJNNFCMZHN-VIFPVBQESA-N 0 0 249.266 2.481 50 0 BEAARN Cc1c[nH]cc1C(=O)NN1[C@H](C)CCC[C@H]1C ZINC000408526056 134812358 /nfs/dbraw/zinc/81/23/58/134812358.db2.gz MGDMVJJBEQZFKB-GHMZBOCLSA-N 0 0 235.331 2.231 50 0 BEAARN CC(C)C(C[N@@H+]1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000261566460 135208865 /nfs/dbraw/zinc/20/88/65/135208865.db2.gz DPPRESAVFSXEPX-NSHDSACASA-N 0 0 227.348 2.321 50 0 BEAARN CC(C)[C@@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000263392297 135351122 /nfs/dbraw/zinc/35/11/22/135351122.db2.gz YVZAFEOYAIJUGR-BFHYXJOUSA-N 0 0 247.338 2.489 50 0 BEAARN O=C(Nc1ccccc1O)c1cc(F)c[nH]1 ZINC000334388539 135384988 /nfs/dbraw/zinc/38/49/88/135384988.db2.gz QTFIGUMWQQWXPJ-UHFFFAOYSA-N 0 0 220.203 2.112 50 0 BEAARN C[C@H]1CN(C(=O)C2CC=CC2)C[C@H](C)S1 ZINC000095403637 135625924 /nfs/dbraw/zinc/62/59/24/135625924.db2.gz RWPJHEBNVIFJPX-UWVGGRQHSA-N 0 0 225.357 2.305 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@H](C)C(C)(C)C)cn1 ZINC000032788179 135808346 /nfs/dbraw/zinc/80/83/46/135808346.db2.gz USMPOWLCVQMSPV-SNVBAGLBSA-N 0 0 235.331 2.292 50 0 BEAARN CC1(c2noc(-c3ccncc3F)n2)CC1 ZINC000334892346 135835972 /nfs/dbraw/zinc/83/59/72/135835972.db2.gz UOUVZUZNHZEZEK-UHFFFAOYSA-N 0 0 219.219 2.322 50 0 BEAARN NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000335393155 136091432 /nfs/dbraw/zinc/09/14/32/136091432.db2.gz MUJNKODVICZNAZ-SNVBAGLBSA-N 0 0 226.226 2.180 50 0 BEAARN O=C(NCc1ccoc1)[C@@H]1CCC[C@H](F)C1 ZINC000335548030 136097066 /nfs/dbraw/zinc/09/70/66/136097066.db2.gz BHCCENAVACKGNF-MNOVXSKESA-N 0 0 225.263 2.424 50 0 BEAARN O=C(NCc1ccco1)[C@@H]1CCC[C@@H](F)C1 ZINC000335562660 136106777 /nfs/dbraw/zinc/10/67/77/136106777.db2.gz JZBUGJKQHGRHPJ-NXEZZACHSA-N 0 0 225.263 2.424 50 0 BEAARN O=C(Nc1nncs1)c1ccccc1Cl ZINC000000892656 397764242 /nfs/dbraw/zinc/76/42/42/397764242.db2.gz HOOACUBPWLPNGB-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN C[C@@]1(CO)CCC[C@@H]1Nc1ccccn1 ZINC000098013796 397804450 /nfs/dbraw/zinc/80/44/50/397804450.db2.gz DOBSILVWMKGTTF-JQWIXIFHSA-N 0 0 206.289 2.045 50 0 BEAARN Cn1ccnc(Sc2ccccc2F)c1=O ZINC000098013769 397804600 /nfs/dbraw/zinc/80/46/00/397804600.db2.gz BNHFNXILWYZSGO-UHFFFAOYSA-N 0 0 236.271 2.071 50 0 BEAARN CCOC[C@@H](C)Nc1ccc([S@](C)=O)cc1 ZINC000097371331 397929740 /nfs/dbraw/zinc/92/97/40/397929740.db2.gz UYUHMSZIWBOKLC-QLJPJBMISA-N 0 0 241.356 2.261 50 0 BEAARN Cc1ccc([C@@](C)(O)c2ncc[nH]2)c(C)c1 ZINC000328579529 397902015 /nfs/dbraw/zinc/90/20/15/397902015.db2.gz NQQQZZWWSOJMOW-CYBMUJFWSA-N 0 0 216.284 2.282 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000000432950 397914602 /nfs/dbraw/zinc/91/46/02/397914602.db2.gz RXJKBEUFCXFTBD-OQHXTRMZSA-N 0 0 249.285 2.134 50 0 BEAARN O=Cc1ccccc1OC[C@H]1CCCO1 ZINC000004384261 397925416 /nfs/dbraw/zinc/92/54/16/397925416.db2.gz ITNCGWPNAUAGTM-LLVKDONJSA-N 0 0 206.241 2.057 50 0 BEAARN C[C@@H](NCc1csnn1)c1cccc(O)c1 ZINC000037151707 397992435 /nfs/dbraw/zinc/99/24/35/397992435.db2.gz OYFAXHXCLPSZTQ-MRVPVSSYSA-N 0 0 235.312 2.095 50 0 BEAARN CC(C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000197634952 398007663 /nfs/dbraw/zinc/00/76/63/398007663.db2.gz GNPWJZGUEHDWEI-UHFFFAOYSA-N 0 0 220.240 2.147 50 0 BEAARN COC(=O)c1cc2cccc(OC)c2cc1O ZINC000034929304 398017772 /nfs/dbraw/zinc/01/77/72/398017772.db2.gz PLYWZUWQMPOPDP-UHFFFAOYSA-N 0 0 232.235 2.341 50 0 BEAARN COC(=O)c1cccc2cnc(C)cc21 ZINC000082769772 398067273 /nfs/dbraw/zinc/06/72/73/398067273.db2.gz YBVZAXUFVAFLFF-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN Cc1cc(C(=O)O[C@H]2CCOC2)ccc1F ZINC000082516292 398067430 /nfs/dbraw/zinc/06/74/30/398067430.db2.gz PLQQASMTIHFJRZ-JTQLQIEISA-N 0 0 224.231 2.080 50 0 BEAARN O=C(c1ccco1)N1Cc2ccccc2C1 ZINC000082277725 398067624 /nfs/dbraw/zinc/06/76/24/398067624.db2.gz KRXAKMSISUCLMD-UHFFFAOYSA-N 0 0 213.236 2.436 50 0 BEAARN CC(=O)NCc1csc(C2CCC2)n1 ZINC000227154237 398073739 /nfs/dbraw/zinc/07/37/39/398073739.db2.gz FUPAUGOGCOZTOF-UHFFFAOYSA-N 0 0 210.302 2.047 50 0 BEAARN CC(C)CCC[C@H](C)NC(=O)N1CCOCC1 ZINC000004677260 398084667 /nfs/dbraw/zinc/08/46/67/398084667.db2.gz ALLWUWDKQBTPQE-LBPRGKRZSA-N 0 0 242.363 2.243 50 0 BEAARN CNc1nc(C)c(Br)s1 ZINC000049584933 398051856 /nfs/dbraw/zinc/05/18/56/398051856.db2.gz IDYYDCHMCLJPMR-UHFFFAOYSA-N 0 0 207.096 2.256 50 0 BEAARN O=C(Nc1nnc2ccccn21)[C@@H]1CC=CCC1 ZINC000031739134 398110264 /nfs/dbraw/zinc/11/02/64/398110264.db2.gz MXKGFBXJTHLGNK-SNVBAGLBSA-N 0 0 242.282 2.024 50 0 BEAARN C[C@@H](NC(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000043728367 398123375 /nfs/dbraw/zinc/12/33/75/398123375.db2.gz SYQCDGBJUOGBID-YPMHNXCESA-N 0 0 248.326 2.053 50 0 BEAARN Cc1cc(Br)cc(N)c1O ZINC000062152892 177722388 /nfs/dbraw/zinc/72/23/88/177722388.db2.gz GDFDRJARZUTLES-UHFFFAOYSA-N 0 0 202.051 2.045 50 0 BEAARN CC(C)OCCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000078416569 167198917 /nfs/dbraw/zinc/19/89/17/167198917.db2.gz QBYKYFLKDCEVOF-NWDGAFQWSA-N 0 0 227.348 2.496 50 0 BEAARN Cc1ccsc1C[NH+]=c1[n-]nc(C2CC2)n1C ZINC000585091642 487576966 /nfs/dbraw/zinc/57/69/66/487576966.db2.gz DZCHTYXLSVGNJY-UHFFFAOYSA-N 0 0 248.355 2.096 50 0 BEAARN Fc1ccc(OC[C@@H]2CO2)c(Cl)c1 ZINC000037902189 322903542 /nfs/dbraw/zinc/90/35/42/322903542.db2.gz MGYPWPGOKWPZJM-ZETCQYMHSA-N 0 0 202.612 2.257 50 0 BEAARN C[N@H+](Cc1ccccc1F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000585094231 487578204 /nfs/dbraw/zinc/57/82/04/487578204.db2.gz SPUSZXHDFGGTEF-PHIMTYICSA-N 0 0 237.274 2.121 50 0 BEAARN CC(C)OCCS[C@@H]1CCO[C@H]1C ZINC000163462681 167250381 /nfs/dbraw/zinc/25/03/81/167250381.db2.gz OWCVAVUYVZANER-VHSXEESVSA-N 0 0 204.335 2.322 50 0 BEAARN CC(C)OCCS[C@@H]1CCO[C@@H]1C ZINC000163462573 167250400 /nfs/dbraw/zinc/25/04/00/167250400.db2.gz OWCVAVUYVZANER-NXEZZACHSA-N 0 0 204.335 2.322 50 0 BEAARN CC(C)SCCn1cc2[nH]cccc-2c1=O ZINC000065532354 167328510 /nfs/dbraw/zinc/32/85/10/167328510.db2.gz HYBFDTZNRHUAJT-UHFFFAOYSA-N 0 0 236.340 2.179 50 0 BEAARN CCc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)o1 ZINC000046437209 410119625 /nfs/dbraw/zinc/11/96/25/410119625.db2.gz WLRMJTPTUDAEKF-ZJUUUORDSA-N 0 0 237.299 2.091 50 0 BEAARN Brc1ccc2c(c1)COCCN2 ZINC000083069383 166100077 /nfs/dbraw/zinc/10/00/77/166100077.db2.gz RZLZXNOGTQHMTP-UHFFFAOYSA-N 0 0 228.089 2.391 50 0 BEAARN Brc1cccc2cncnc12 ZINC000063772254 166101963 /nfs/dbraw/zinc/10/19/63/166101963.db2.gz UXVYREUIHBIBKO-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1cccc2c1CCN=C2 ZINC000095910980 166102006 /nfs/dbraw/zinc/10/20/06/166102006.db2.gz YKZXVRNYHKWHQW-UHFFFAOYSA-N 0 0 210.074 2.424 50 0 BEAARN Brc1c[nH]nc1-c1ccccn1 ZINC000042383941 166104839 /nfs/dbraw/zinc/10/48/39/166104839.db2.gz IJIUJGQXEDRMIM-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1cccc2nsnc21 ZINC000000158658 166102169 /nfs/dbraw/zinc/10/21/69/166102169.db2.gz KYKBVPGDKGABHY-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Brc1cnc(-n2cccc2)cn1 ZINC000044118195 166104881 /nfs/dbraw/zinc/10/48/81/166104881.db2.gz WZRWWSBKNSBDKC-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1cnc(Br)cn1 ZINC000015022219 166105114 /nfs/dbraw/zinc/10/51/14/166105114.db2.gz KIYKHEOWZLJZSB-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN Brc1cncc2ncccc12 ZINC000011919339 166106692 /nfs/dbraw/zinc/10/66/92/166106692.db2.gz WNFILKMJRFZJBF-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN CCN(CC)C(=O)c1ccc(C)c(N)c1 ZINC000020194851 169759857 /nfs/dbraw/zinc/75/98/57/169759857.db2.gz KYYVUWPYINBBCI-UHFFFAOYSA-N 0 0 206.289 2.059 50 0 BEAARN CCN(CC)C(=O)c1cccc(OC)c1 ZINC000000030024 169761105 /nfs/dbraw/zinc/76/11/05/169761105.db2.gz YYTOWTFIPGDNDQ-UHFFFAOYSA-N 0 0 207.273 2.177 50 0 BEAARN CCN(CC)C(=O)c1scc2c1OCCO2 ZINC000000117904 169761488 /nfs/dbraw/zinc/76/14/88/169761488.db2.gz GQCPZECYASDMIS-UHFFFAOYSA-N 0 0 241.312 2.001 50 0 BEAARN CC(C)(C)C(=O)OCC(=O)Nc1ccccc1 ZINC000003216985 166535346 /nfs/dbraw/zinc/53/53/46/166535346.db2.gz BUKJDRBJPPBLLU-UHFFFAOYSA-N 0 0 235.283 2.214 50 0 BEAARN CC(C)(C)CNC(=O)CC[C@H]1CCCOC1 ZINC000095963432 166584000 /nfs/dbraw/zinc/58/40/00/166584000.db2.gz UETSHTRXWPBBDU-LLVKDONJSA-N 0 0 227.348 2.356 50 0 BEAARN CC(C)(C)N(C(=O)[O-])[C@H](C[NH3+])c1ccccc1 ZINC000071788775 166607276 /nfs/dbraw/zinc/60/72/76/166607276.db2.gz MCJRHIJSBHRKKG-LLVKDONJSA-N 0 0 236.315 2.465 50 0 BEAARN CC(C)C(=O)Nc1nnc(-c2cccs2)o1 ZINC000004330392 166732475 /nfs/dbraw/zinc/73/24/75/166732475.db2.gz KRUAHYBPTPLLKE-UHFFFAOYSA-N 0 0 237.284 2.393 50 0 BEAARN CC(C)C(=O)Nc1nonc1-c1ccc(F)cc1 ZINC000005488033 166732603 /nfs/dbraw/zinc/73/26/03/166732603.db2.gz BHURXPQQHFENOP-UHFFFAOYSA-N 0 0 249.245 2.470 50 0 BEAARN CC(C)CSCCN1C(=O)[C@H](C)[C@H](C)C1=O ZINC000101903606 410800554 /nfs/dbraw/zinc/80/05/54/410800554.db2.gz OFZIRYUZDABPHR-AOOOYVTPSA-N 0 0 243.372 2.017 50 0 BEAARN Cc1nn2c([nH]1)c1ccccc1nc2=S ZINC000102097448 410813971 /nfs/dbraw/zinc/81/39/71/410813971.db2.gz OHYMWNARIQBYDT-UHFFFAOYSA-N 0 0 216.269 2.249 50 0 BEAARN CC(C)CC[C@@H](C)NC(=O)/C=C\c1ccnn1C ZINC000097026459 166890116 /nfs/dbraw/zinc/89/01/16/166890116.db2.gz TYYKKMKVYCUJTH-QDZRJHCZSA-N 0 0 249.358 2.374 50 0 BEAARN CC(C)CC[C@H](C)NC(=O)/C=C/c1ccnn1C ZINC000024463411 166901461 /nfs/dbraw/zinc/90/14/61/166901461.db2.gz TYYKKMKVYCUJTH-GUOLPTJISA-N 0 0 249.358 2.374 50 0 BEAARN CC(C)CNC(=O)c1ccc2nccnc2c1 ZINC000012976552 166999146 /nfs/dbraw/zinc/99/91/46/166999146.db2.gz OEEXNZYVBGSCAC-UHFFFAOYSA-N 0 0 229.283 2.016 50 0 BEAARN CC(C)CNC(=S)NCc1ccc(F)cc1 ZINC000013814263 167000503 /nfs/dbraw/zinc/00/05/03/167000503.db2.gz ANRKHOMEVCQWFB-UHFFFAOYSA-N 0 0 240.347 2.446 50 0 BEAARN CC(C)N1CSC(=S)N(C(C)C)C1 ZINC000020223268 167028646 /nfs/dbraw/zinc/02/86/46/167028646.db2.gz CEHJUKCWAPYSLT-UHFFFAOYSA-N 0 0 218.391 2.354 50 0 BEAARN CC(C)NC(=O)COc1cccc2cccnc21 ZINC000006128061 167063134 /nfs/dbraw/zinc/06/31/34/167063134.db2.gz LPJLAIIGKJETIC-UHFFFAOYSA-N 0 0 244.294 2.138 50 0 BEAARN CC(C)NC(=O)Cc1cnc(-n2cccc2)s1 ZINC000020744788 167065871 /nfs/dbraw/zinc/06/58/71/167065871.db2.gz OXFDEFLLESOZIX-UHFFFAOYSA-N 0 0 249.339 2.001 50 0 BEAARN CC(C)NC(=O)N[C@H](C)CCc1cccn1C ZINC000096431294 167076931 /nfs/dbraw/zinc/07/69/31/167076931.db2.gz BSZZNVLPDHHTHG-LLVKDONJSA-N 0 0 237.347 2.054 50 0 BEAARN CC(C)NC(=O)Nc1ccc(F)cc1F ZINC000010025844 167077679 /nfs/dbraw/zinc/07/76/79/167077679.db2.gz QBBYQRXPTOICCN-UHFFFAOYSA-N 0 0 214.215 2.495 50 0 BEAARN CC(C)NC(=O)Nc1ccc2snnc2c1 ZINC000000612681 167079642 /nfs/dbraw/zinc/07/96/42/167079642.db2.gz AEZOWGHSOUQXEG-UHFFFAOYSA-N 0 0 236.300 2.221 50 0 BEAARN CC(C)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065574986 167084915 /nfs/dbraw/zinc/08/49/15/167084915.db2.gz YNHAIYCQZLYPAE-UHFFFAOYSA-N 0 0 247.273 2.354 50 0 BEAARN CC(C)NC(=O)c1ccc(N)cc1Cl ZINC000008732466 167088402 /nfs/dbraw/zinc/08/84/02/167088402.db2.gz PQLLYWSYNFDCJO-UHFFFAOYSA-N 0 0 212.680 2.060 50 0 BEAARN CC(C)NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000012382597 167088558 /nfs/dbraw/zinc/08/85/58/167088558.db2.gz DROZZKJDKIEUSZ-UHFFFAOYSA-N 0 0 246.310 2.173 50 0 BEAARN CC(C)NC(=O)c1ccc2c(c1)nnn2C(C)C ZINC000064555078 167089062 /nfs/dbraw/zinc/08/90/62/167089062.db2.gz BVYXSBZWMXSPCR-UHFFFAOYSA-N 0 0 246.314 2.150 50 0 BEAARN CC(C)Nc1nc(COc2ccccc2)no1 ZINC000054438324 167150200 /nfs/dbraw/zinc/15/02/00/167150200.db2.gz OBPQTOSUZWEIMP-UHFFFAOYSA-N 0 0 233.271 2.469 50 0 BEAARN CC(C)OC(=O)c1cnc2ccc(F)cc2c1O ZINC000094993175 167172578 /nfs/dbraw/zinc/17/25/78/167172578.db2.gz BDDWNSDREPBTSW-UHFFFAOYSA-N 0 0 249.241 2.232 50 0 BEAARN CC(C)OCCOCc1ccc(O)cc1 ZINC000021985924 167248817 /nfs/dbraw/zinc/24/88/17/167248817.db2.gz ISQLWWCGQXEAJG-UHFFFAOYSA-N 0 0 210.273 2.334 50 0 in-vitro BEAARN CC(C)Oc1ccc(C(=O)NCC2CC2)cn1 ZINC000043011275 167290619 /nfs/dbraw/zinc/29/06/19/167290619.db2.gz VZBVZSVXNMIDKP-UHFFFAOYSA-N 0 0 234.299 2.009 50 0 BEAARN CC(C)Oc1cccc(-c2cnc(=O)[nH]c2)c1 ZINC000032581038 167305518 /nfs/dbraw/zinc/30/55/18/167305518.db2.gz JIPOKVZGDMRAAU-UHFFFAOYSA-N 0 0 230.267 2.224 50 0 BEAARN CC(C)Oc1cnc(Br)cn1 ZINC000035635807 167312053 /nfs/dbraw/zinc/31/20/53/167312053.db2.gz OWLUGZXLKGHHNQ-UHFFFAOYSA-N 0 0 217.066 2.026 50 0 BEAARN CC(C)Oc1ncc(Br)cn1 ZINC000034256486 167314896 /nfs/dbraw/zinc/31/48/96/167314896.db2.gz BEBHDGQMLLXGDG-UHFFFAOYSA-N 0 0 217.066 2.026 50 0 BEAARN CC(C)SC1=NN2CCCC(=O)N=C2S1 ZINC000000426932 167321624 /nfs/dbraw/zinc/32/16/24/167321624.db2.gz PVUTUSPLYHYLOE-UHFFFAOYSA-N 0 0 243.357 2.124 50 0 BEAARN CC(C)Sc1ccc([C@H]([NH3+])C(=O)[O-])cc1 ZINC000082540235 167337070 /nfs/dbraw/zinc/33/70/70/167337070.db2.gz PWKSUWUZCSCTDM-JTQLQIEISA-N 0 0 225.313 2.272 50 0 BEAARN CC(C)Sc1nnnn1-c1ccccc1 ZINC000000242223 167338301 /nfs/dbraw/zinc/33/83/01/167338301.db2.gz SRXNAOIEUJQDHS-UHFFFAOYSA-N 0 0 220.301 2.163 50 0 BEAARN CC(C)Sc1nc(=O)c2sccc2[nH]1 ZINC000015986867 167339486 /nfs/dbraw/zinc/33/94/86/167339486.db2.gz LVJKNCGAXLDSGQ-UHFFFAOYSA-N 0 0 226.326 2.485 50 0 BEAARN Cc1noc(C)c1C(=O)NCc1ccsc1 ZINC000042937348 411060592 /nfs/dbraw/zinc/06/05/92/411060592.db2.gz RBHILPFOXSIQOP-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN CC(C)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000000097254 167603070 /nfs/dbraw/zinc/60/30/70/167603070.db2.gz CGGDDXJVSGFQON-UHFFFAOYSA-N 0 0 215.252 2.239 50 0 BEAARN CCCc1cc(C(=O)N2CCCC[C@H]2C)[nH]n1 ZINC000044859462 411141332 /nfs/dbraw/zinc/14/13/32/411141332.db2.gz RYJWPIKQXJSBMQ-SNVBAGLBSA-N 0 0 235.331 2.377 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCCCc1ccccc1 ZINC000044866043 411141341 /nfs/dbraw/zinc/14/13/41/411141341.db2.gz HEMJRMPGCWQHEW-DGCLKSJQSA-N 0 0 217.312 2.391 50 0 BEAARN C[C@@H](NC(=O)OCC(F)(F)F)c1ccccn1 ZINC000044980725 411142944 /nfs/dbraw/zinc/14/29/44/411142944.db2.gz VVTCRTCLEHAXSX-SSDOTTSWSA-N 0 0 248.204 2.431 50 0 BEAARN C[C@H](NC(=O)OCC(F)(F)F)c1ccccn1 ZINC000044980722 411143034 /nfs/dbraw/zinc/14/30/34/411143034.db2.gz VVTCRTCLEHAXSX-ZETCQYMHSA-N 0 0 248.204 2.431 50 0 BEAARN O=C(Nc1cn[nH]c1)N[C@H]1CCc2ccccc21 ZINC000045305327 411145165 /nfs/dbraw/zinc/14/51/65/411145165.db2.gz OQZKENAZHAOYMF-LBPRGKRZSA-N 0 0 242.282 2.219 50 0 BEAARN Cc1ccccc1NC=C1CCOC1=O ZINC000109099735 411148644 /nfs/dbraw/zinc/14/86/44/411148644.db2.gz JMTAACPNNLXUFI-CSKARUKUSA-N 0 0 203.241 2.238 50 0 BEAARN COC(=O)CC1=CC(=S)Nc2ccccc2N1 ZINC000101282961 411160054 /nfs/dbraw/zinc/16/00/54/411160054.db2.gz WAKJPZIWOPBWPN-UHFFFAOYSA-N 0 0 248.307 2.298 50 0 BEAARN CCN(CC)[P@@]1(=O)OC(C)(C)C[C@]1(C)O ZINC000000231790 169802816 /nfs/dbraw/zinc/80/28/16/169802816.db2.gz REQUQJQPNHWTGW-BMIGLBTASA-N 0 0 235.264 2.429 50 0 BEAARN CC(C)n1cc2c(n1)[nH]c(=O)cc2C(F)(F)F ZINC000012397850 167756715 /nfs/dbraw/zinc/75/67/15/167756715.db2.gz CBWQCYVNOWPCIE-UHFFFAOYSA-N 0 0 245.204 2.324 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000048331673 411189356 /nfs/dbraw/zinc/18/93/56/411189356.db2.gz VZCHIDUJWUEHCE-ZYHUDNBSSA-N 0 0 241.294 2.467 50 0 BEAARN CCc1ccc(C(=O)Nc2cccnc2OC)o1 ZINC000048599582 411203920 /nfs/dbraw/zinc/20/39/20/411203920.db2.gz WFGUNKGUHPDKFY-UHFFFAOYSA-N 0 0 246.266 2.498 50 0 BEAARN CCCCCC(=O)Oc1cccc(C(N)=O)c1 ZINC000047888263 411165751 /nfs/dbraw/zinc/16/57/51/411165751.db2.gz XOQLSLVAENJMTH-UHFFFAOYSA-N 0 0 235.283 2.271 50 0 BEAARN c1c2n(nc1C1CC1)CCN([C@@H]1CCSC1)C2 ZINC000575414142 411283388 /nfs/dbraw/zinc/28/33/88/411283388.db2.gz GXFHZQNPWNBCCR-LLVKDONJSA-N 0 0 249.383 2.082 50 0 BEAARN CC1(C)CC(=O)N(c2ccccc2)[C@@]1(C)O ZINC000002878472 167884492 /nfs/dbraw/zinc/88/44/92/167884492.db2.gz AXIKNJITIHUEMD-ZDUSSCGKSA-N 0 0 219.284 2.158 50 0 BEAARN COC1CN(Cc2ccnc3ccccc23)C1 ZINC000656651774 411316498 /nfs/dbraw/zinc/31/64/98/411316498.db2.gz ULWHLZFSLBDPEF-UHFFFAOYSA-N 0 0 228.295 2.065 50 0 BEAARN CC1(C)[C@H](C(N)=O)[C@H]1C=C(Cl)Cl ZINC000027989632 168005632 /nfs/dbraw/zinc/00/56/32/168005632.db2.gz LGLPSKCJXYYLMZ-XINAWCOVSA-N 0 0 208.088 2.063 50 0 BEAARN CC1(Cc2c[nH]c3ccccc23)OCCO1 ZINC000000517669 168053799 /nfs/dbraw/zinc/05/37/99/168053799.db2.gz LMINDIHGKUVBAC-UHFFFAOYSA-N 0 0 217.268 2.473 50 0 biogenic BEAARN CC1C(=O)C(=O)O[C@@H]1C(Cl)(Cl)Cl ZINC000019851772 168087680 /nfs/dbraw/zinc/08/76/80/168087680.db2.gz BCWOXLUSWLFSPU-BYPYZUCNSA-N 0 0 231.462 2.114 50 0 BEAARN C/C(=C1/N=C(C)OC1=O)c1ccccc1 ZINC000039378572 168132663 /nfs/dbraw/zinc/13/26/63/168132663.db2.gz DWVQEMHQNWOTDC-FLIBITNWSA-N 0 0 201.225 2.393 50 0 BEAARN Cc1cc(=O)n(-c2ccccc2Cl)[nH]1 ZINC000018217713 168135116 /nfs/dbraw/zinc/13/51/16/168135116.db2.gz CWESERWNUIUBJU-UHFFFAOYSA-N 0 0 208.648 2.453 50 0 BEAARN CC1=NO[C@@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC000064555756 168136570 /nfs/dbraw/zinc/13/65/70/168136570.db2.gz DCTRFDLYRBHFIU-GFCCVEGCSA-N 0 0 246.310 2.198 50 0 BEAARN CC1=CSc2nnc(-c3cccs3)n2N1 ZINC000000383341 168137238 /nfs/dbraw/zinc/13/72/38/168137238.db2.gz OREBCHAGKQDMNG-UHFFFAOYSA-N 0 0 236.325 2.336 50 0 BEAARN CC1=CSc2nnc(-c3ccc(F)cc3)n2N1 ZINC000000530963 168137277 /nfs/dbraw/zinc/13/72/77/168137277.db2.gz GTUADWTZFGMUBZ-UHFFFAOYSA-N 0 0 248.286 2.414 50 0 BEAARN CC1CCC(N(C)C(=O)c2ccc[nH]c2=O)CC1 ZINC000048390906 168157385 /nfs/dbraw/zinc/15/73/85/168157385.db2.gz HAQXKEKXIIWEBG-UHFFFAOYSA-N 0 0 248.326 2.026 50 0 BEAARN CC1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000035477542 168175611 /nfs/dbraw/zinc/17/56/11/168175611.db2.gz SVQJHCHEDPDJCI-UHFFFAOYSA-N 0 0 233.315 2.159 50 0 BEAARN CCC(=O)N(c1ccccc1)[C@@H](CC)C(=O)OC ZINC000071905523 168214264 /nfs/dbraw/zinc/21/42/64/168214264.db2.gz ATLNOUOFXWFLDP-LBPRGKRZSA-N 0 0 249.310 2.381 50 0 BEAARN CCC(=O)NCCSc1ccc(O)cc1 ZINC000002518266 168230304 /nfs/dbraw/zinc/23/03/04/168230304.db2.gz QSZDEDWYJWMGDI-UHFFFAOYSA-N 0 0 225.313 2.011 50 0 BEAARN CCC(=O)NC[C@H](OC)c1cccc(F)c1 ZINC000096387881 168231878 /nfs/dbraw/zinc/23/18/78/168231878.db2.gz RNIJNYQYYQSATE-NSHDSACASA-N 0 0 225.263 2.039 50 0 BEAARN CCC(=O)NCc1cccc(Br)c1 ZINC000013322354 168233768 /nfs/dbraw/zinc/23/37/68/168233768.db2.gz LORDZAOXOHCULV-UHFFFAOYSA-N 0 0 242.116 2.475 50 0 BEAARN CCC(=O)NCc1nc2ccccc2n1CC ZINC000002721244 168235287 /nfs/dbraw/zinc/23/52/87/168235287.db2.gz BBYZIHZWFOXYRD-UHFFFAOYSA-N 0 0 231.299 2.082 50 0 BEAARN CCC(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000000200688 168236223 /nfs/dbraw/zinc/23/62/23/168236223.db2.gz IWSXPVHJUKMGTP-VIFPVBQESA-N 0 0 231.299 2.161 50 0 BEAARN CCC(=O)N[C@@H]1CCc2cccc(OC)c2C1 ZINC000003792127 168237646 /nfs/dbraw/zinc/23/76/46/168237646.db2.gz RVIGBTUDFAGRTQ-LLVKDONJSA-N 0 0 233.311 2.079 50 0 in-vitro BEAARN CCC(=O)N[C@H](C)c1nc(-c2ccccc2)no1 ZINC000004998445 168239596 /nfs/dbraw/zinc/23/95/96/168239596.db2.gz SBSJATUITSNUSI-SECBINFHSA-N 0 0 245.282 2.324 50 0 BEAARN CCC(=O)Nc1cc(-c2ccccc2OC)[nH]n1 ZINC000058289692 168241136 /nfs/dbraw/zinc/24/11/36/168241136.db2.gz GTMXJVHHKKJIDO-UHFFFAOYSA-N 0 0 245.282 2.434 50 0 BEAARN CCC(=O)Nc1cccc(C(=O)OC)c1C ZINC000006746420 168245731 /nfs/dbraw/zinc/24/57/31/168245731.db2.gz JICZCWBUIBIHFE-UHFFFAOYSA-N 0 0 221.256 2.130 50 0 BEAARN CCC(=O)Nc1nonc1-c1ccc(C)cc1 ZINC000005451856 168248034 /nfs/dbraw/zinc/24/80/34/168248034.db2.gz BTBVSTBABOHDKT-UHFFFAOYSA-N 0 0 231.255 2.394 50 0 BEAARN CCC(=O)c1ccc(OC)c(OC)c1O ZINC000001644016 168255825 /nfs/dbraw/zinc/25/58/25/168255825.db2.gz OITJBWYAMOJKTL-UHFFFAOYSA-N 0 0 210.229 2.002 50 0 BEAARN CCC(C)(C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000000031748 168266240 /nfs/dbraw/zinc/26/62/40/168266240.db2.gz AHKIVRDSNAJKOX-UHFFFAOYSA-N 0 0 249.310 2.468 50 0 BEAARN CCC(C)(C)NC(=O)/C=C/c1c(C)nn(C)c1C ZINC000037077268 168287637 /nfs/dbraw/zinc/28/76/37/168287637.db2.gz JWADHRIMNWTSNC-CMDGGOBGSA-N 0 0 249.358 2.355 50 0 BEAARN CCC(C)(C)NC(=O)c1cn2ccccc2n1 ZINC000040161731 168297544 /nfs/dbraw/zinc/29/75/44/168297544.db2.gz FUPAZDAKKQMJEJ-UHFFFAOYSA-N 0 0 231.299 2.253 50 0 BEAARN CCC(C)(C)NS(=O)(=O)c1cccs1 ZINC000000469828 168300970 /nfs/dbraw/zinc/30/09/70/168300970.db2.gz HFAWGGNACVCHCS-UHFFFAOYSA-N 0 0 233.358 2.215 50 0 BEAARN CCC(C)(C)c1cc(N)c(O)c(C(=O)OC)c1 ZINC000005735313 168305609 /nfs/dbraw/zinc/30/56/09/168305609.db2.gz JAMCVKQQHJYTNU-UHFFFAOYSA-N 0 0 237.299 2.449 50 0 BEAARN CCN(Cc1ccoc1)C(=O)NC(C)C ZINC000069654600 169927078 /nfs/dbraw/zinc/92/70/78/169927078.db2.gz YWNAQFSWTUFHQV-UHFFFAOYSA-N 0 0 210.277 2.220 50 0 BEAARN CCNC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000057573329 170072008 /nfs/dbraw/zinc/07/20/08/170072008.db2.gz ISLMUCYRMUALBY-UHFFFAOYSA-N 0 0 236.315 2.247 50 0 BEAARN CCNC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000098013998 170075042 /nfs/dbraw/zinc/07/50/42/170075042.db2.gz QRVPOMSSPMEJKM-AAEUAGOBSA-N 0 0 248.326 2.178 50 0 BEAARN CCNC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000038567309 170075131 /nfs/dbraw/zinc/07/51/31/170075131.db2.gz DXOMGLSOFUYSJV-LBPRGKRZSA-N 0 0 218.300 2.205 50 0 BEAARN CCNC(=O)NCc1ccc2ncccc2c1 ZINC000015862377 170081290 /nfs/dbraw/zinc/08/12/90/170081290.db2.gz SETAEVFKBXXSSU-UHFFFAOYSA-N 0 0 229.283 2.054 50 0 BEAARN CCNC(=O)c1cc(Cl)ccc1OC ZINC000000453865 170100061 /nfs/dbraw/zinc/10/00/61/170100061.db2.gz CYEVQZAXPSGVHC-UHFFFAOYSA-N 0 0 213.664 2.098 50 0 BEAARN CCNC(=O)c1cc(SC)ccc1C ZINC000032906770 170100769 /nfs/dbraw/zinc/10/07/69/170100769.db2.gz BTMVMSFMDWKOER-UHFFFAOYSA-N 0 0 209.314 2.467 50 0 BEAARN CCNC(=O)c1ccc(-n2cccc2)cc1 ZINC000048693809 170101121 /nfs/dbraw/zinc/10/11/21/170101121.db2.gz PRDKOIVAGSHLLF-UHFFFAOYSA-N 0 0 214.268 2.227 50 0 BEAARN CCNC(=O)c1ccc(F)cc1Cl ZINC000006742063 170102185 /nfs/dbraw/zinc/10/21/85/170102185.db2.gz SJAPQBHRMKFMGE-UHFFFAOYSA-N 0 0 201.628 2.229 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)CC(C)C)c1 ZINC000014247214 170103670 /nfs/dbraw/zinc/10/36/70/170103670.db2.gz SPAPSZJTFVQTGK-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN CCNC(=S)NC1CCCCCC1 ZINC000017083493 170105208 /nfs/dbraw/zinc/10/52/08/170105208.db2.gz OMSPROAZJIWNIV-UHFFFAOYSA-N 0 0 200.351 2.193 50 0 BEAARN CCNC(=S)Nc1nc(C)c(C)s1 ZINC000062716745 170105945 /nfs/dbraw/zinc/10/59/45/170105945.db2.gz BUNQNYADQDYGFT-UHFFFAOYSA-N 0 0 215.347 2.066 50 0 BEAARN CCNC(=S)Nc1ccc(OC)cc1OC ZINC000000439636 170106018 /nfs/dbraw/zinc/10/60/18/170106018.db2.gz ZMGKQUXPNKRINV-UHFFFAOYSA-N 0 0 240.328 2.010 50 0 BEAARN CCNC(=S)Nc1ccc(OC)c(OC)c1 ZINC000000315080 170106576 /nfs/dbraw/zinc/10/65/76/170106576.db2.gz MWPQQDJNZPKZGH-UHFFFAOYSA-N 0 0 240.328 2.010 50 0 BEAARN CCNc1ccc(N)cc1Br ZINC000049844111 170174563 /nfs/dbraw/zinc/17/45/63/170174563.db2.gz OIXQVQVZVCVLFH-UHFFFAOYSA-N 0 0 215.094 2.463 50 0 BEAARN CCOC(=O)C(=O)c1cc(F)cc(Cl)c1 ZINC000004255734 170184651 /nfs/dbraw/zinc/18/46/51/170184651.db2.gz AXXUGRZDHNZUMR-UHFFFAOYSA-N 0 0 230.622 2.225 50 0 BEAARN CCOC(=O)C(C(F)(F)F)C(F)(F)F ZINC000039946535 170185574 /nfs/dbraw/zinc/18/55/74/170185574.db2.gz HOSPDBQHPFVHEZ-UHFFFAOYSA-N 0 0 224.100 2.290 50 0 BEAARN CCOC(=O)C1=C(N)S[C@@H]2CCCC[C@@H]12 ZINC000019626555 170191277 /nfs/dbraw/zinc/19/12/77/170191277.db2.gz MHLOZPWQZPKMGT-HTQZYQBOSA-N 0 0 227.329 2.025 50 0 BEAARN CCOC(=O)C1=Cc2cccc(OC)c2OC1 ZINC000000104403 170192070 /nfs/dbraw/zinc/19/20/70/170192070.db2.gz VWTWCCNXBMDVNS-UHFFFAOYSA-N 0 0 234.251 2.034 50 0 biogenic BEAARN CCOC(=O)CC(=O)Nc1cc(C)cc(C)c1 ZINC000009784125 170197539 /nfs/dbraw/zinc/19/75/39/170197539.db2.gz IGAFDRLVGWHOEM-UHFFFAOYSA-N 0 0 235.283 2.195 50 0 BEAARN CCOC(=O)CCC(=O)c1cccc(OC)c1 ZINC000002242959 170198671 /nfs/dbraw/zinc/19/86/71/170198671.db2.gz DVJMVEWPRBDHPK-UHFFFAOYSA-N 0 0 236.267 2.221 50 0 BEAARN CCOC(=O)CCC(=O)c1cc(F)cc(F)c1 ZINC000002378924 170198711 /nfs/dbraw/zinc/19/87/11/170198711.db2.gz ZPUSZIPFWRQAMA-UHFFFAOYSA-N 0 0 242.221 2.491 50 0 BEAARN CCOC(=O)CCC(=O)c1cccc(F)c1F ZINC000002378962 170198829 /nfs/dbraw/zinc/19/88/29/170198829.db2.gz BARJXDORRJTNEF-UHFFFAOYSA-N 0 0 242.221 2.491 50 0 BEAARN CCOC(=O)CCCOc1ccccc1 ZINC000001648321 170203079 /nfs/dbraw/zinc/20/30/79/170203079.db2.gz XSVIVXBQBFMYCS-UHFFFAOYSA-N 0 0 208.257 2.409 50 0 BEAARN CCOC(=O)CCN(C)c1ccccc1 ZINC000005393389 170204975 /nfs/dbraw/zinc/20/49/75/170204975.db2.gz KIGKCEWLNGHFCS-UHFFFAOYSA-N 0 0 207.273 2.076 50 0 BEAARN CCOC(=O)CN(Cc1cccs1)C1CC1 ZINC000042238744 170217766 /nfs/dbraw/zinc/21/77/66/170217766.db2.gz AHSMZFVCCMVYPF-UHFFFAOYSA-N 0 0 239.340 2.276 50 0 BEAARN CCOC(=O)CN1CCC[C@H]1c1ccsc1 ZINC000065624328 170220677 /nfs/dbraw/zinc/22/06/77/170220677.db2.gz ARKPDSSPTOQELQ-NSHDSACASA-N 0 0 239.340 2.448 50 0 BEAARN CCOC(=O)COc1ccc(F)c(Cl)c1 ZINC000016971507 170228719 /nfs/dbraw/zinc/22/87/19/170228719.db2.gz HNHZVENZIMYHDY-UHFFFAOYSA-N 0 0 232.638 2.421 50 0 BEAARN CCOC(=O)COc1ccc(Cl)cc1C=O ZINC000002781143 170228853 /nfs/dbraw/zinc/22/88/53/170228853.db2.gz VDMSVBFVAZDXRK-UHFFFAOYSA-N 0 0 242.658 2.094 50 0 BEAARN CCOC(=O)Cc1cc(F)c(F)cc1C ZINC000260594050 170234923 /nfs/dbraw/zinc/23/49/23/170234923.db2.gz CAEPWORLNYJEOV-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1cc(C)c(F)c(F)c1 ZINC000259980314 170235392 /nfs/dbraw/zinc/23/53/92/170235392.db2.gz CREGPHWUCIBVPZ-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cn1ccc2ccccc21 ZINC000000582787 170237518 /nfs/dbraw/zinc/23/75/18/170237518.db2.gz DKMSTBXXTNPNPU-UHFFFAOYSA-N 0 0 203.241 2.204 50 0 BEAARN CCOC(=O)NCCCc1ccccc1 ZINC000002773973 170241549 /nfs/dbraw/zinc/24/15/49/170241549.db2.gz BCKQSWQBXQAIBF-UHFFFAOYSA-N 0 0 207.273 2.365 50 0 BEAARN CCOC(=O)NCCc1ccc(C)cc1 ZINC000061997461 170241670 /nfs/dbraw/zinc/24/16/70/170241670.db2.gz AKRJHXWPMSYODJ-UHFFFAOYSA-N 0 0 207.273 2.284 50 0 BEAARN CCOC(=O)NC[C@H](OC)c1ccsc1 ZINC000096097359 170242571 /nfs/dbraw/zinc/24/25/71/170242571.db2.gz BQTUIXISRGZEAL-VIFPVBQESA-N 0 0 229.301 2.182 50 0 BEAARN CCOC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000070265875 170243302 /nfs/dbraw/zinc/24/33/02/170243302.db2.gz XVOLBJCYNFCTEZ-GHMZBOCLSA-N 0 0 205.257 2.289 50 0 BEAARN CCOC(=O)N[C@H](C)Cc1ccccc1 ZINC000009209352 170243328 /nfs/dbraw/zinc/24/33/28/170243328.db2.gz ZLJPEGDLROEOBC-SNVBAGLBSA-N 0 0 207.273 2.364 50 0 BEAARN CCOC(=O)Nc1cc(OC)cc(OC)c1 ZINC000013327609 170243681 /nfs/dbraw/zinc/24/36/81/170243681.db2.gz VIZPOUZKKBQEHI-UHFFFAOYSA-N 0 0 225.244 2.272 50 0 BEAARN CCOC(=O)Nc1ccc(NC(=O)NC)cc1 ZINC000048487859 170243947 /nfs/dbraw/zinc/24/39/47/170243947.db2.gz YOZPUHRNCMTGCR-UHFFFAOYSA-N 0 0 237.259 2.006 50 0 BEAARN CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000056824 170258189 /nfs/dbraw/zinc/25/81/89/170258189.db2.gz FLASAKCDOWUBQX-ZDUSSCGKSA-N 0 0 233.311 2.214 50 0 BEAARN CCOC(=O)C1=C(O)[C@H](c2ccccc2)CC1 ZINC000039020005 170259171 /nfs/dbraw/zinc/25/91/71/170259171.db2.gz LRSQKGAKYUHQNQ-NWDGAFQWSA-N 0 0 232.279 2.312 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@@H](c2cccs2)N1 ZINC000098072872 170259806 /nfs/dbraw/zinc/25/98/06/170259806.db2.gz FPFZNKCTUSSDIU-CBAPKCEASA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)[C@@](F)(Cl)C(F)(F)F ZINC000002530824 170262493 /nfs/dbraw/zinc/26/24/93/170262493.db2.gz VWBGBOFQVNQGIT-BYPYZUCNSA-N 0 0 208.538 2.016 50 0 BEAARN CCOC(=O)[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC000067910633 170267490 /nfs/dbraw/zinc/26/74/90/170267490.db2.gz VRFPFDNXSDOUIR-QWRGUYRKSA-N 0 0 243.347 2.127 50 0 BEAARN CCOC(=O)[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C ZINC000084791182 170267766 /nfs/dbraw/zinc/26/77/66/170267766.db2.gz XNAKQQFUKBGYFY-ZJUUUORDSA-N 0 0 243.347 2.127 50 0 BEAARN CCOC(=O)[C@H](CC(C)C)n1cccc1C=O ZINC000040488288 170271646 /nfs/dbraw/zinc/27/16/46/170271646.db2.gz UOGWHQSYXABNSF-LBPRGKRZSA-N 0 0 237.299 2.451 50 0 BEAARN CCOC(=O)[C@H](N)c1ccc(OC(C)C)cc1 ZINC000022204433 170276158 /nfs/dbraw/zinc/27/61/58/170276158.db2.gz CDTCQUWMAQENHB-GFCCVEGCSA-N 0 0 237.299 2.037 50 0 BEAARN CCOC(=O)[C@H]1CC(=S)Nc2ccccc21 ZINC000065336798 170279179 /nfs/dbraw/zinc/27/91/79/170279179.db2.gz MBUHKOCHFHPXJK-VIFPVBQESA-N 0 0 235.308 2.476 50 0 BEAARN CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC000035630211 170281079 /nfs/dbraw/zinc/28/10/79/170281079.db2.gz DOYDSCPXUVCTPG-QWHCGFSZSA-N 0 0 233.311 2.433 50 0 BEAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCCN1 ZINC000217039104 170285734 /nfs/dbraw/zinc/28/57/34/170285734.db2.gz JNYUQDQJTBQRCJ-OAHLLOKOSA-N 0 0 247.338 2.305 50 0 BEAARN CCOC(=O)c1[nH]c2ccc(C)cc2c1N ZINC000002472595 170286720 /nfs/dbraw/zinc/28/67/20/170286720.db2.gz SMKHWBBDIZIBLD-UHFFFAOYSA-N 0 0 218.256 2.235 50 0 BEAARN CCOC(=O)c1c(C)[nH]c(C)c1/C=C/[N+](=O)[O-] ZINC000032918952 170287481 /nfs/dbraw/zinc/28/74/81/170287481.db2.gz IOUMUIKIKQQNMI-AATRIKPKSA-N 0 0 238.243 2.056 50 0 BEAARN CCOC(=O)c1c(F)cc(OC)cc1F ZINC000095916003 170288100 /nfs/dbraw/zinc/28/81/00/170288100.db2.gz PWYVDWXBWUDXKK-UHFFFAOYSA-N 0 0 216.183 2.150 50 0 BEAARN CCOC(=O)c1c(C)noc1-c1ccco1 ZINC000000164502 170288150 /nfs/dbraw/zinc/28/81/50/170288150.db2.gz IYYCWPLALONTLI-UHFFFAOYSA-N 0 0 221.212 2.420 50 0 BEAARN CCOC(=O)c1c2cc(O)ccc2[nH]c1OCC ZINC000000287001 170289042 /nfs/dbraw/zinc/28/90/42/170289042.db2.gz HSJFLHDXGPQXBX-UHFFFAOYSA-N 0 0 249.266 2.449 50 0 BEAARN CCOC(=O)c1cc(-c2ccc(C)o2)[nH]n1 ZINC000005929609 170290323 /nfs/dbraw/zinc/29/03/23/170290323.db2.gz YFKITICHACVSCW-UHFFFAOYSA-N 0 0 220.228 2.155 50 0 BEAARN CCOC(=O)c1cc(-c2ccccc2)n(C)n1 ZINC000005177725 170290547 /nfs/dbraw/zinc/29/05/47/170290547.db2.gz KQECZAANWUVBES-UHFFFAOYSA-N 0 0 230.267 2.264 50 0 BEAARN CCOC(=O)c1cc(Br)cnc1C ZINC000034462432 170290678 /nfs/dbraw/zinc/29/06/78/170290678.db2.gz QVKPPFGWQMCQCI-UHFFFAOYSA-N 0 0 244.088 2.329 50 0 BEAARN CCOC(=O)c1cc(Br)ccn1 ZINC000040448795 170291156 /nfs/dbraw/zinc/29/11/56/170291156.db2.gz ATVHAWNFNGFPEM-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1cc(CC)sc1NC(C)=O ZINC000000188289 170291492 /nfs/dbraw/zinc/29/14/92/170291492.db2.gz JDYPHTNMKBGGLI-UHFFFAOYSA-N 0 0 241.312 2.446 50 0 BEAARN CCOC(=O)c1cc(F)cnc1Cl ZINC000002546091 170292284 /nfs/dbraw/zinc/29/22/84/170292284.db2.gz ZCQJBYHGMYTQAO-UHFFFAOYSA-N 0 0 203.600 2.051 50 0 BEAARN CCOC(=O)c1cc(N)cc(Br)c1 ZINC000062350324 170292545 /nfs/dbraw/zinc/29/25/45/170292545.db2.gz AGSSVQHQCFMXHB-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1cc(F)nc(C(F)(F)F)c1 ZINC000199818297 170292603 /nfs/dbraw/zinc/29/26/03/170292603.db2.gz JXIXLMPDSMTCEM-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN CCOC(=O)c1cc2cc(Cl)ncc2[nH]1 ZINC000035269793 170293871 /nfs/dbraw/zinc/29/38/71/170293871.db2.gz ZQKMNQPQMGJIHD-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1cc2nc(Cl)ccc2[nH]1 ZINC000035269879 170294670 /nfs/dbraw/zinc/29/46/70/170294670.db2.gz LMNLVPXIXMUABR-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1ccc(C(F)(F)F)cn1 ZINC000016698692 170295122 /nfs/dbraw/zinc/29/51/22/170295122.db2.gz KCMOTZFSBYHKCI-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1ccc(C=O)c(Cl)c1 ZINC000082046527 170295167 /nfs/dbraw/zinc/29/51/67/170295167.db2.gz YOTMXQXNGDJWDW-UHFFFAOYSA-N 0 0 212.632 2.329 50 0 BEAARN CCOC(=O)c1ccc(N2CCCC2)cc1 ZINC000000258222 170296196 /nfs/dbraw/zinc/29/61/96/170296196.db2.gz RKJDCQVVECOVJR-UHFFFAOYSA-N 0 0 219.284 2.464 50 0 BEAARN CCOC(=O)c1ccc2c(c1)CCCN2 ZINC000019722821 170298000 /nfs/dbraw/zinc/29/80/00/170298000.db2.gz LKGHZFXEHLTUII-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN CCOC(=O)c1ccc2c(c1)nnn2C(C)(C)C ZINC000242538767 170298168 /nfs/dbraw/zinc/29/81/68/170298168.db2.gz JFMOEUKEHQFDOR-UHFFFAOYSA-N 0 0 247.298 2.363 50 0 BEAARN CCOC(=O)c1ccc2ncc(Cl)n2c1 ZINC000095215925 170298332 /nfs/dbraw/zinc/29/83/32/170298332.db2.gz RFXBTKSOEXPTLG-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1ccc2nc(C)oc2c1 ZINC000095215830 170298516 /nfs/dbraw/zinc/29/85/16/170298516.db2.gz HIHQORHTQYEIST-UHFFFAOYSA-N 0 0 205.213 2.313 50 0 BEAARN CCOC(=O)c1cccc([C@@H](O)C(F)(F)F)c1 ZINC000306146039 170299118 /nfs/dbraw/zinc/29/91/18/170299118.db2.gz DXGHMRVHEOQVKS-SECBINFHSA-N 0 0 248.200 2.459 50 0 BEAARN CCOC(=O)c1cnn(-c2ccccc2)c1 ZINC000000408177 170303855 /nfs/dbraw/zinc/30/38/55/170303855.db2.gz UBIULDHICQCHJE-UHFFFAOYSA-N 0 0 216.240 2.049 50 0 BEAARN CCOC(=O)c1cnn(Cc2ccccc2)c1 ZINC000012395719 170304165 /nfs/dbraw/zinc/30/41/65/170304165.db2.gz CUTDJCLKKQWXGM-UHFFFAOYSA-N 0 0 230.267 2.108 50 0 BEAARN CCOC(=O)c1nc(-c2ccc(F)cc2)no1 ZINC000001304688 170305614 /nfs/dbraw/zinc/30/56/14/170305614.db2.gz BCZQNQXJPMUTQA-UHFFFAOYSA-N 0 0 236.202 2.052 50 0 BEAARN CCOC(=O)c1nc(-c2ccc(C)cc2)no1 ZINC000002538877 170305743 /nfs/dbraw/zinc/30/57/43/170305743.db2.gz SAISCYNZBKJQRO-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(=O)c1nc(Cl)n2ccccc12 ZINC000044137089 170307195 /nfs/dbraw/zinc/30/71/95/170307195.db2.gz RFMBIODIWJUHGR-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1ncc(C(F)(F)F)cc1F ZINC000242400325 170308306 /nfs/dbraw/zinc/30/83/06/170308306.db2.gz AUJDIPFEXRFVEM-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN CCOC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000000206958 170309370 /nfs/dbraw/zinc/30/93/70/170309370.db2.gz FUFIYZTYLVNRFU-UHFFFAOYSA-N 0 0 222.240 2.284 50 0 BEAARN CCOC(=O)c1noc(N)c1-c1ccc(C)cc1 ZINC000025757749 170309493 /nfs/dbraw/zinc/30/94/93/170309493.db2.gz VLYTXOQHICAAGB-UHFFFAOYSA-N 0 0 246.266 2.409 50 0 BEAARN CCOC(=O)c1scnc1Br ZINC000039121858 170310499 /nfs/dbraw/zinc/31/04/99/170310499.db2.gz BPHMYUZUYGXGTO-UHFFFAOYSA-N 0 0 236.090 2.082 50 0 BEAARN CCOC(C)(C)CNC(=O)NC1CCCC1 ZINC000166993583 170312068 /nfs/dbraw/zinc/31/20/68/170312068.db2.gz AGMDNXRHGRUGMS-UHFFFAOYSA-N 0 0 228.336 2.043 50 0 BEAARN CCOC(OCC)C(=O)c1ccccc1 ZINC000000388477 170316502 /nfs/dbraw/zinc/31/65/02/170316502.db2.gz PIZHFBODNLEQBL-UHFFFAOYSA-N 0 0 208.257 2.268 50 0 BEAARN CCOC1CCN(C(=O)c2ccccc2)CC1 ZINC000064554005 170333080 /nfs/dbraw/zinc/33/30/80/170333080.db2.gz QURSKOJUALCMGI-UHFFFAOYSA-N 0 0 233.311 2.328 50 0 BEAARN CCOCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000032819548 170340504 /nfs/dbraw/zinc/34/05/04/170340504.db2.gz FPCXYDXSFSIYAL-VXGBXAGGSA-N 0 0 225.332 2.204 50 0 BEAARN CCOCC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000038566853 170341613 /nfs/dbraw/zinc/34/16/13/170341613.db2.gz DMGOCYZULVGJTN-CYBMUJFWSA-N 0 0 233.311 2.039 50 0 BEAARN CCOCC(=O)Nc1ccc(CC)cc1 ZINC000005928572 170348404 /nfs/dbraw/zinc/34/84/04/170348404.db2.gz MIASZFWYYQUROK-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN CCOCC(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000095446747 170349093 /nfs/dbraw/zinc/34/90/93/170349093.db2.gz ZMXHFFWTGBLMMG-UHFFFAOYSA-N 0 0 245.282 2.052 50 0 BEAARN CCOCC(=O)OC1CCCCCC1 ZINC000097160392 170350147 /nfs/dbraw/zinc/35/01/47/170350147.db2.gz HDWRWTLITDMDHZ-UHFFFAOYSA-N 0 0 200.278 2.289 50 0 BEAARN CCOCCC(=O)N(C)c1ccccc1 ZINC000004815733 170357636 /nfs/dbraw/zinc/35/76/36/170357636.db2.gz TUVMMFHXEQMUPP-UHFFFAOYSA-N 0 0 207.273 2.076 50 0 BEAARN CCOCCC(=O)N1CCc2cc(C)ccc21 ZINC000091103871 170359470 /nfs/dbraw/zinc/35/94/70/170359470.db2.gz OMYFYEDUSPPSNW-UHFFFAOYSA-N 0 0 233.311 2.311 50 0 BEAARN CCOCCC(=O)N1CCc2ccccc21 ZINC000004808709 170359565 /nfs/dbraw/zinc/35/95/65/170359565.db2.gz FDWNIUICYHOVOV-UHFFFAOYSA-N 0 0 219.284 2.002 50 0 BEAARN CCOCCC(=O)Nc1ccc(OC)cc1 ZINC000004740552 170362724 /nfs/dbraw/zinc/36/27/24/170362724.db2.gz VVPWAFBLIVHXPX-UHFFFAOYSA-N 0 0 223.272 2.060 50 0 BEAARN CCOCCC(=O)Nc1cc(C)cc(C)n1 ZINC000095431308 170362812 /nfs/dbraw/zinc/36/28/12/170362812.db2.gz CLJXDNHBZCXFKQ-UHFFFAOYSA-N 0 0 222.288 2.064 50 0 BEAARN CCOCCCNC(=O)c1ccc(C)c(F)c1 ZINC000040467573 170379366 /nfs/dbraw/zinc/37/93/66/170379366.db2.gz PWOOUKOYHKECEP-UHFFFAOYSA-N 0 0 239.290 2.291 50 0 BEAARN CCOCCCNC(=O)c1cc(F)cc(F)c1 ZINC000016649641 170379433 /nfs/dbraw/zinc/37/94/33/170379433.db2.gz WFEOGUGWSFESKX-UHFFFAOYSA-N 0 0 243.253 2.121 50 0 BEAARN CCOCCCNC(=O)c1cc(F)ccc1F ZINC000028210773 170379740 /nfs/dbraw/zinc/37/97/40/170379740.db2.gz KMVQGBKHPAIGIW-UHFFFAOYSA-N 0 0 243.253 2.121 50 0 BEAARN CCOCCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000067228432 170402765 /nfs/dbraw/zinc/40/27/65/170402765.db2.gz SXPHZRKYIZFDIU-DZGCQCFKSA-N 0 0 249.354 2.485 50 0 BEAARN CCOCCOc1ccc(Cl)cc1N ZINC000014629323 170423639 /nfs/dbraw/zinc/42/36/39/170423639.db2.gz OMEAIUGYVNPPMS-UHFFFAOYSA-N 0 0 215.680 2.338 50 0 BEAARN CCOCc1ccc(CNC(=O)CC)cc1 ZINC000045848722 170458513 /nfs/dbraw/zinc/45/85/13/170458513.db2.gz BRRKCJKQOQAITD-UHFFFAOYSA-N 0 0 221.300 2.249 50 0 BEAARN CCOCc1nnc(NCc2ccsc2)o1 ZINC000095990081 170461249 /nfs/dbraw/zinc/46/12/49/170461249.db2.gz AZZKBZZWVJGWKH-UHFFFAOYSA-N 0 0 239.300 2.280 50 0 BEAARN CCONC(=O)c1cccc(C(F)(F)F)c1 ZINC000040489095 170468733 /nfs/dbraw/zinc/46/87/33/170468733.db2.gz GCWRDQXYTSISMO-UHFFFAOYSA-N 0 0 233.189 2.387 50 0 BEAARN CCO[C@@H](C)C(=O)N1CCC[C@@H](CC)C1 ZINC000040534004 170471314 /nfs/dbraw/zinc/47/13/14/170471314.db2.gz KQPNHULJUJXFBJ-WDEREUQCSA-N 0 0 213.321 2.060 50 0 BEAARN CCO[C@@H]1C[C@H](NC(C)=O)C12CCCCC2 ZINC000095402002 170490270 /nfs/dbraw/zinc/49/02/70/170490270.db2.gz CXLNJOZSTFFEFK-NWDGAFQWSA-N 0 0 225.332 2.250 50 0 BEAARN CCOc1ccc(C(N)=S)cc1OCC ZINC000005592435 170539864 /nfs/dbraw/zinc/53/98/64/170539864.db2.gz CCDWRZYGBRUZLU-UHFFFAOYSA-N 0 0 225.313 2.118 50 0 BEAARN CCOc1cccc2cc(C(C)=O)c(=O)oc21 ZINC000000180525 170587774 /nfs/dbraw/zinc/58/77/74/170587774.db2.gz ZICQMZDINLBQMB-UHFFFAOYSA-N 0 0 232.235 2.394 50 0 biogenic BEAARN CCOc1cccc2ccc(C=O)nc21 ZINC000001067201 170587923 /nfs/dbraw/zinc/58/79/23/170587923.db2.gz LZLUJBIKHOHDDD-UHFFFAOYSA-N 0 0 201.225 2.446 50 0 BEAARN CCS(=O)(=O)c1cccc(NC2CCC2)c1 ZINC000097084898 170624054 /nfs/dbraw/zinc/62/40/54/170624054.db2.gz UCPGJYUSSPPXQC-UHFFFAOYSA-N 0 0 239.340 2.445 50 0 BEAARN CC[C@@H](C)NC(=O)Nc1ccc(OC)nc1 ZINC000048019290 170743709 /nfs/dbraw/zinc/74/37/09/170743709.db2.gz ZSEVGHZUQFXQSF-MRVPVSSYSA-N 0 0 223.276 2.010 50 0 BEAARN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1 ZINC000004666636 170747276 /nfs/dbraw/zinc/74/72/76/170747276.db2.gz ZFPRNEXAIAVPKN-MNOVXSKESA-N 0 0 221.300 2.369 50 0 BEAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006741305 170804703 /nfs/dbraw/zinc/80/47/03/170804703.db2.gz SENWZZNZKFLEOP-SNVBAGLBSA-N 0 0 241.356 2.450 50 0 BEAARN CC[C@@H](CO)Nc1ccnc(-c2ccccc2)n1 ZINC000069844484 170843450 /nfs/dbraw/zinc/84/34/50/170843450.db2.gz UGJYHQLXUJDRLA-LBPRGKRZSA-N 0 0 243.310 2.326 50 0 BEAARN CC[C@@H](COC)NC(=O)NC1CCCCC1 ZINC000000388977 170844950 /nfs/dbraw/zinc/84/49/50/170844950.db2.gz BKEOBCHPNHHALO-JTQLQIEISA-N 0 0 228.336 2.043 50 0 BEAARN CC[C@@H](NC(=O)/C=C/c1cnccn1)C(C)C ZINC000096999308 170874052 /nfs/dbraw/zinc/87/40/52/170874052.db2.gz MASNNQNAYXUYOP-BTDICHCPSA-N 0 0 233.315 2.041 50 0 BEAARN CC[C@@H](NCc1noc(C)n1)c1nccs1 ZINC000097373875 170906566 /nfs/dbraw/zinc/90/65/66/170906566.db2.gz YCLZFKJUHDLKGH-MRVPVSSYSA-N 0 0 238.316 2.075 50 0 BEAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)NC1CC1 ZINC000008558626 170946303 /nfs/dbraw/zinc/94/63/03/170946303.db2.gz DGFBEVWOCAGWCZ-CYBMUJFWSA-N 0 0 233.311 2.431 50 0 BEAARN CC[C@@H](Oc1ccc2ccccc2c1)C(N)=O ZINC000030850378 170946414 /nfs/dbraw/zinc/94/64/14/170946414.db2.gz DAHUNAJCNWWLSW-CYBMUJFWSA-N 0 0 229.279 2.483 50 0 BEAARN CC[C@@H]1CCc2sc(C(N)=O)cc2C1 ZINC000016603826 171059972 /nfs/dbraw/zinc/05/99/72/171059972.db2.gz OTGZNCFWEXYIQA-SSDOTTSWSA-N 0 0 209.314 2.362 50 0 BEAARN CC[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000004083888 171150634 /nfs/dbraw/zinc/15/06/34/171150634.db2.gz OOJCKCNYTLTQGT-CMPLNLGQSA-N 0 0 244.294 2.218 50 0 BEAARN CC[C@@]12OCCN1C[C@H](c1ccccc1)O2 ZINC000071788893 171217937 /nfs/dbraw/zinc/21/79/37/171217937.db2.gz JOPJKJFVMPDVNI-OLZOCXBDSA-N 0 0 219.284 2.154 50 0 BEAARN CC[C@H](CCO)NC(=O)[C@@H](CC)c1ccccc1 ZINC000084733317 171233041 /nfs/dbraw/zinc/23/30/41/171233041.db2.gz QPVWTYMPZPFXNL-KGLIPLIRSA-N 0 0 249.354 2.457 50 0 BEAARN CC[C@H](C(=O)[O-])[N@@H+]1CCCc2ccccc2C1 ZINC000062944875 171236224 /nfs/dbraw/zinc/23/62/24/171236224.db2.gz ZOYJSWDLPONMSC-CYBMUJFWSA-N 0 0 233.311 2.298 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000000030872 171255826 /nfs/dbraw/zinc/25/58/26/171255826.db2.gz ZBXDUIMIFPKWMB-VIFPVBQESA-N 0 0 235.283 2.458 50 0 BEAARN CC[C@H](C)C(=O)Nc1cccnc1-n1cccn1 ZINC000044912098 171255954 /nfs/dbraw/zinc/25/59/54/171255954.db2.gz DKCIKLAUHJREHG-JTQLQIEISA-N 0 0 244.298 2.252 50 0 BEAARN CC[C@H](C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000241684880 171261855 /nfs/dbraw/zinc/26/18/55/171261855.db2.gz QFZUDISSBNLTMN-PSOPSSQASA-N 0 0 247.338 2.197 50 0 BEAARN CC[C@H](C)NC(=O)CCc1ccccc1O ZINC000058156456 171323393 /nfs/dbraw/zinc/32/33/93/171323393.db2.gz BNJBRDNALPVPKW-JTQLQIEISA-N 0 0 221.300 2.240 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(OC)cc(OC)c1 ZINC000002736248 171336376 /nfs/dbraw/zinc/33/63/76/171336376.db2.gz VOSLSQFQTWAFOL-VIFPVBQESA-N 0 0 237.299 2.232 50 0 BEAARN CC[C@H](C)NC(=S)NCCc1ccccc1 ZINC000002743704 171338576 /nfs/dbraw/zinc/33/85/76/171338576.db2.gz IHTCGZAIFINVGP-NSHDSACASA-N 0 0 236.384 2.492 50 0 BEAARN CC[C@H](C)NS(=O)(=O)Cc1ccc(C)cc1 ZINC000016577533 171343928 /nfs/dbraw/zinc/34/39/28/171343928.db2.gz DQOADKZAFLAZDL-NSHDSACASA-N 0 0 241.356 2.213 50 0 BEAARN CC[C@H](C)S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000096471807 171357291 /nfs/dbraw/zinc/35/72/91/171357291.db2.gz XRIYJGUNXBXSEA-VIFPVBQESA-N 0 0 243.328 2.241 50 0 BEAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC000034275368 171374065 /nfs/dbraw/zinc/37/40/65/171374065.db2.gz KLRYBAAAYDFIEQ-DTWKUNHWSA-N 0 0 245.319 2.099 50 0 BEAARN CC[C@H](C)[C@H](C)C(=O)Nc1cnccc1CO ZINC000225567865 171385243 /nfs/dbraw/zinc/38/52/43/171385243.db2.gz CJQLBDQREONFEK-UWVGGRQHSA-N 0 0 236.315 2.195 50 0 BEAARN CC[C@H](C)[C@H](C)Nc1ncnc2c1cnn2C ZINC000042417217 171391872 /nfs/dbraw/zinc/39/18/72/171391872.db2.gz VRGQQBLIBHVYMT-IUCAKERBSA-N 0 0 233.319 2.210 50 0 BEAARN CC[C@H](C)[C@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000028117272 171406942 /nfs/dbraw/zinc/40/69/42/171406942.db2.gz GTKOHXKZTJRLKJ-GXSJLCMTSA-N 0 0 238.331 2.490 50 0 BEAARN CC[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)C(C)C ZINC000048977648 171508575 /nfs/dbraw/zinc/50/85/75/171508575.db2.gz YGOGSRDTNMWXPU-NSHDSACASA-N 0 0 236.315 2.382 50 0 BEAARN CC[C@H](Oc1ccccc1C)C(=O)NC1CC1 ZINC000013329235 171591924 /nfs/dbraw/zinc/59/19/24/171591924.db2.gz RGZCMBGQLPOUPS-LBPRGKRZSA-N 0 0 233.311 2.431 50 0 BEAARN CC[C@H]1CCCN(C(=O)CSCCOC)C1 ZINC000040514178 171613777 /nfs/dbraw/zinc/61/37/77/171613777.db2.gz OLIYDUGGFVIBDJ-NSHDSACASA-N 0 0 245.388 2.015 50 0 BEAARN CC[C@](C)(NC=O)C(=O)Nc1c(C)cccc1C ZINC000000493784 171697599 /nfs/dbraw/zinc/69/75/99/171697599.db2.gz SJUBAGMYKASKEM-AWEZNQCLSA-N 0 0 248.326 2.157 50 0 BEAARN CCc1cc2c(ncnc2N2CCCO2)s1 ZINC000096011371 171775608 /nfs/dbraw/zinc/77/56/08/171775608.db2.gz HIGXNYJDYGRCSY-UHFFFAOYSA-N 0 0 235.312 2.395 50 0 BEAARN CCc1ccc(COn2ccnc2)cc1 ZINC000004003082 171814206 /nfs/dbraw/zinc/81/42/06/171814206.db2.gz ASTSLOZVPYDJFM-UHFFFAOYSA-N 0 0 202.257 2.074 50 0 BEAARN CCc1cccc(C)c1N1C(=O)C[C@H](C)C1=O ZINC000000101832 171852984 /nfs/dbraw/zinc/85/29/84/171852984.db2.gz MDZRTCBOQLDHBD-JTQLQIEISA-N 0 0 231.295 2.457 50 0 BEAARN CCc1cccc(NC(=O)C(=O)c2ccc[nH]2)c1 ZINC000065083709 171859819 /nfs/dbraw/zinc/85/98/19/171859819.db2.gz ZNAQVRIMJAMBCE-UHFFFAOYSA-N 0 0 242.278 2.399 50 0 BEAARN CCc1ccccc1NC(=O)c1cc[n+]([O-])cc1 ZINC000014710705 171888128 /nfs/dbraw/zinc/88/81/28/171888128.db2.gz SUHHFEKFBUSZDD-UHFFFAOYSA-N 0 0 242.278 2.135 50 0 BEAARN CCc1nc2cc(CC(=O)OC)ccc2o1 ZINC000095215841 172010462 /nfs/dbraw/zinc/01/04/62/172010462.db2.gz HDLOLVTUOBBAFA-UHFFFAOYSA-N 0 0 219.240 2.106 50 0 BEAARN CCc1nc2cc(OC)cc(C(=O)OC)c2o1 ZINC000043827890 172012226 /nfs/dbraw/zinc/01/22/26/172012226.db2.gz ZXYOJWVCEZKXBA-UHFFFAOYSA-N 0 0 235.239 2.185 50 0 BEAARN CCc1nc2ccccc2n1CCOC ZINC000012438442 172014020 /nfs/dbraw/zinc/01/40/20/172014020.db2.gz XWUHVNYZJZENJS-UHFFFAOYSA-N 0 0 204.273 2.245 50 0 BEAARN CCc1ncc([C@H](O)c2ccccc2)n1C ZINC000000182897 172023428 /nfs/dbraw/zinc/02/34/28/172023428.db2.gz UAZJDTSAQSFZKG-CYBMUJFWSA-N 0 0 216.284 2.064 50 0 BEAARN CCc1nccn1Cc1nnc(C(C)C)o1 ZINC000095441073 172027214 /nfs/dbraw/zinc/02/72/14/172027214.db2.gz FPOORFAUCRZWEC-UHFFFAOYSA-N 0 0 220.276 2.000 50 0 BEAARN CCc1nn(C)c(N)c1-c1ccc(F)cc1 ZINC000008745749 172038550 /nfs/dbraw/zinc/03/85/50/172038550.db2.gz VYIRDYHJGDIXTN-UHFFFAOYSA-N 0 0 219.263 2.371 50 0 BEAARN CCc1nn2c([nH]c(=O)cc2C(F)(F)F)c1C ZINC000008861383 172045131 /nfs/dbraw/zinc/04/51/31/172045131.db2.gz IFBLJUMIPCMXLB-UHFFFAOYSA-N 0 0 245.204 2.325 50 0 BEAARN CCc1nnc(NC(=O)C2CCCC2)s1 ZINC000000449873 172057593 /nfs/dbraw/zinc/05/75/93/172057593.db2.gz LVTBIHYZQAOCQB-UHFFFAOYSA-N 0 0 225.317 2.229 50 0 BEAARN CCc1nnc(NC(=O)c2ccc(C)o2)s1 ZINC000002636032 172059269 /nfs/dbraw/zinc/05/92/69/172059269.db2.gz UVEDWVMZOQEDIJ-UHFFFAOYSA-N 0 0 237.284 2.254 50 0 BEAARN CCc1nnc(NC(=O)c2ccsc2)s1 ZINC000022398828 172059545 /nfs/dbraw/zinc/05/95/45/172059545.db2.gz CUPFXPKASSVTTR-UHFFFAOYSA-N 0 0 239.325 2.414 50 0 BEAARN CCc1nnc(NCc2ccc(OC)cc2)o1 ZINC000296113853 172060178 /nfs/dbraw/zinc/06/01/78/172060178.db2.gz UXTYQYOEMJZULL-UHFFFAOYSA-N 0 0 233.271 2.253 50 0 BEAARN CCc1nnc2sc(-c3ccco3)nn12 ZINC000013945094 172068485 /nfs/dbraw/zinc/06/84/85/172068485.db2.gz RYCQWIXHFROMNA-UHFFFAOYSA-N 0 0 220.257 2.008 50 0 BEAARN CCc1nnsc1C(=O)Nc1ccccc1O ZINC000012733825 172071184 /nfs/dbraw/zinc/07/11/84/172071184.db2.gz ZNWMKBIKCRPVMY-UHFFFAOYSA-N 0 0 249.295 2.058 50 0 BEAARN CCc1noc(-c2ccc(C)c(N)c2)n1 ZINC000019233389 172072138 /nfs/dbraw/zinc/07/21/38/172072138.db2.gz KFSGAUZHNXGSAP-UHFFFAOYSA-N 0 0 203.245 2.190 50 0 BEAARN CCc1noc(-c2cccnc2Cl)n1 ZINC000022120292 172073027 /nfs/dbraw/zinc/07/30/27/172073027.db2.gz SLMONMPXSSLXND-UHFFFAOYSA-N 0 0 209.636 2.347 50 0 BEAARN CCc1noc(C)c1C(=O)NC(C)(C)CC ZINC000016604908 172073578 /nfs/dbraw/zinc/07/35/78/172073578.db2.gz RPTQJPXFTDFCAS-UHFFFAOYSA-N 0 0 224.304 2.464 50 0 BEAARN CCc1noc(C)c1C(=O)N1CCC(C)CC1 ZINC000016603867 172074543 /nfs/dbraw/zinc/07/45/43/172074543.db2.gz JGRYBKBOYQULNA-UHFFFAOYSA-N 0 0 236.315 2.418 50 0 BEAARN CCc1noc(C)c1C(=O)Nc1cccnc1 ZINC000015096943 172076441 /nfs/dbraw/zinc/07/64/41/172076441.db2.gz GYHYYJKNPRDFOC-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CCc1noc(CN2CCC[C@@H](CC)C2)n1 ZINC000065554814 172085156 /nfs/dbraw/zinc/08/51/56/172085156.db2.gz FPYSSIKYDCAYLY-SNVBAGLBSA-N 0 0 223.320 2.254 50 0 BEAARN CCc1noc(CN2CCCC[C@H]2C)n1 ZINC000040489584 172085574 /nfs/dbraw/zinc/08/55/74/172085574.db2.gz ZFVKGLHVMRKEHF-SECBINFHSA-N 0 0 209.293 2.006 50 0 BEAARN CCc1nsc(NCCc2ncccc2C)n1 ZINC000295812758 172105173 /nfs/dbraw/zinc/10/51/73/172105173.db2.gz UKXZUXJTIAILIH-UHFFFAOYSA-N 0 0 248.355 2.459 50 0 BEAARN CCc1nsc(N[C@@H]2CCC[C@@]2(C)CO)n1 ZINC000096455801 172106760 /nfs/dbraw/zinc/10/67/60/172106760.db2.gz ZGMAXQNILZBTFI-KCJUWKMLSA-N 0 0 241.360 2.064 50 0 BEAARN CCn1c(C)c(-c2ccccc2)n(C(C)=O)c1=O ZINC000039931763 172134108 /nfs/dbraw/zinc/13/41/08/172134108.db2.gz PBIFYNMPLKCHIU-UHFFFAOYSA-N 0 0 244.294 2.305 50 0 BEAARN CCn1c(CCCNC(C)=O)nc2ccccc21 ZINC000002601775 172143309 /nfs/dbraw/zinc/14/33/09/172143309.db2.gz RDVDHFAYEOTKJG-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN CCn1c2ccc3nsnc3c2[nH]c1=S ZINC000009879840 172145762 /nfs/dbraw/zinc/14/57/62/172145762.db2.gz WCKXGKXACRITCL-UHFFFAOYSA-N 0 0 236.325 2.350 50 0 BEAARN CCn1c(N)nnc1SCc1cccc(C)c1 ZINC000028250752 172146043 /nfs/dbraw/zinc/14/60/43/172146043.db2.gz WAEJPWDYGKOWGX-UHFFFAOYSA-N 0 0 248.355 2.481 50 0 BEAARN CCn1c(SC)nnc1-c1ccncc1 ZINC000000411943 172147083 /nfs/dbraw/zinc/14/70/83/172147083.db2.gz OQWFYJAEKFTHET-UHFFFAOYSA-N 0 0 220.301 2.082 50 0 BEAARN CCn1cc(COc2ccccc2N)cn1 ZINC000020351876 172177503 /nfs/dbraw/zinc/17/75/03/172177503.db2.gz BWZNXGSMIAXLDJ-UHFFFAOYSA-N 0 0 217.272 2.064 50 0 BEAARN CCn1ccc(-c2nc3ccccc3[nH]2)n1 ZINC000012397143 172200203 /nfs/dbraw/zinc/20/02/03/172200203.db2.gz MYMWYLGPHVHOLY-UHFFFAOYSA-N 0 0 212.256 2.446 50 0 BEAARN CCn1ccc(NC(=O)c2ccccc2C)n1 ZINC000064555656 172201285 /nfs/dbraw/zinc/20/12/85/172201285.db2.gz CBCUMMAXDGWMIV-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CCn1ccnc1C(=O)c1ccccc1 ZINC000015636851 172217381 /nfs/dbraw/zinc/21/73/81/172217381.db2.gz PACKGQQUIGILDX-UHFFFAOYSA-N 0 0 200.241 2.134 50 0 BEAARN CCn1nc(C)c(C(=O)n2nc(C)cc2C)c1C ZINC000002779312 172245276 /nfs/dbraw/zinc/24/52/76/172245276.db2.gz AGYSRZJEKCWEMA-UHFFFAOYSA-N 0 0 246.314 2.022 50 0 BEAARN CCn1nc(C)c(CNC(=O)c2ccco2)c1C ZINC000028225091 172245782 /nfs/dbraw/zinc/24/57/82/172245782.db2.gz NTRPTNPUNJLATJ-UHFFFAOYSA-N 0 0 247.298 2.043 50 0 BEAARN CCn1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1C ZINC000028575836 172251868 /nfs/dbraw/zinc/25/18/68/172251868.db2.gz VKBKDFUTXUHBSD-QWRGUYRKSA-N 0 0 249.358 2.330 50 0 BEAARN CCn1ncc(C(=O)NC2CCCCC2)c1C ZINC000028575444 172252898 /nfs/dbraw/zinc/25/28/98/172252898.db2.gz KYXRMBLVQTYEBV-UHFFFAOYSA-N 0 0 235.331 2.274 50 0 BEAARN CCn1ncc(Cc2cnn(CC)c2C)c1C ZINC000000306966 172255406 /nfs/dbraw/zinc/25/54/06/172255406.db2.gz IZPYMINUWZQULF-UHFFFAOYSA-N 0 0 232.331 2.327 50 0 BEAARN CCn1nccc1CNc1cccc(CO)c1 ZINC000160042533 172274063 /nfs/dbraw/zinc/27/40/63/172274063.db2.gz SPUPGDWZQQBVKN-UHFFFAOYSA-N 0 0 231.299 2.007 50 0 BEAARN CCn1nccc1NC(=O)C1CCCC1 ZINC000058342909 172274093 /nfs/dbraw/zinc/27/40/93/172274093.db2.gz CMNOHXPGDCXJMG-UHFFFAOYSA-N 0 0 207.277 2.032 50 0 BEAARN CCn1nnc(NC2CC(c3ccccc3)C2)n1 ZINC000023619647 172287984 /nfs/dbraw/zinc/28/79/84/172287984.db2.gz IITICLBMPISACQ-UHFFFAOYSA-N 0 0 243.314 2.051 50 0 BEAARN CN(C(=O)Nc1nnc(C2CC2)s1)C1CC1 ZINC000058024294 172323937 /nfs/dbraw/zinc/32/39/37/172323937.db2.gz PRXJGYUFLKLGML-UHFFFAOYSA-N 0 0 238.316 2.042 50 0 BEAARN CN(C(=O)Nc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000072119362 172324053 /nfs/dbraw/zinc/32/40/53/172324053.db2.gz NWWCKEPASDZLGD-CHWSQXEVSA-N 0 0 248.326 2.454 50 0 BEAARN CN(C(=O)Nc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000072119361 172324515 /nfs/dbraw/zinc/32/45/15/172324515.db2.gz NWWCKEPASDZLGD-STQMWFEESA-N 0 0 248.326 2.454 50 0 BEAARN CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1O ZINC000095942556 172325539 /nfs/dbraw/zinc/32/55/39/172325539.db2.gz SYCPWHUVXAZZPW-UWVGGRQHSA-N 0 0 229.320 2.157 50 0 BEAARN CN(C(=O)[C@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000032905637 172333356 /nfs/dbraw/zinc/33/33/56/172333356.db2.gz VGTZOVPZYUVKOL-UONOGXRCSA-N 0 0 245.322 2.311 50 0 BEAARN CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000010328816 172342126 /nfs/dbraw/zinc/34/21/26/172342126.db2.gz JQOZSLMREYIJDE-CHWSQXEVSA-N 0 0 233.311 2.062 50 0 BEAARN CN(C)/C=C/C(=O)Nc1ccc(Cl)cc1 ZINC000003125087 172349521 /nfs/dbraw/zinc/34/95/21/172349521.db2.gz LDPFBUDMJOEICG-BQYQJAHWSA-N 0 0 224.691 2.354 50 0 BEAARN CN(C)/C=C(/C(=S)N(C)C)c1ccccc1 ZINC000001385221 172349851 /nfs/dbraw/zinc/34/98/51/172349851.db2.gz OJPZQPKBYKIGJT-ZRDIBKRKSA-N 0 0 234.368 2.478 50 0 BEAARN CN(C)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000048303284 172354782 /nfs/dbraw/zinc/35/47/82/172354782.db2.gz UVRNQJDKNCDCDY-UHFFFAOYSA-N 0 0 223.703 2.460 50 0 BEAARN CN(C)C(=O)CCc1ccc(Cl)cc1 ZINC000032845856 172361824 /nfs/dbraw/zinc/36/18/24/172361824.db2.gz NNDAUXZUMIVZQW-UHFFFAOYSA-N 0 0 211.692 2.361 50 0 BEAARN CN(C)C(=O)CCc1ccccc1Cl ZINC000020117263 172361873 /nfs/dbraw/zinc/36/18/73/172361873.db2.gz YFDOBBLCLBUAJX-UHFFFAOYSA-N 0 0 211.692 2.361 50 0 BEAARN CN(C)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000058698452 172373519 /nfs/dbraw/zinc/37/35/19/172373519.db2.gz SDMJVTZKHZEIOZ-UHFFFAOYSA-N 0 0 248.109 2.460 50 0 BEAARN CN(C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000096410019 172375638 /nfs/dbraw/zinc/37/56/38/172375638.db2.gz ABRNQOUKNUZCPP-SNVBAGLBSA-N 0 0 219.284 2.031 50 0 BEAARN CN(C)C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000011535909 172377872 /nfs/dbraw/zinc/37/78/72/172377872.db2.gz NCJUHIQDGITYSQ-GFCCVEGCSA-N 0 0 233.315 2.290 50 0 biogenic BEAARN CN(C)C(=O)NC[C@H]1CCCCC1(F)F ZINC000335592702 172379906 /nfs/dbraw/zinc/37/99/06/172379906.db2.gz SIRYXEKRKBBAIR-MRVPVSSYSA-N 0 0 220.263 2.083 50 0 BEAARN CN(C)C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000041566370 172382204 /nfs/dbraw/zinc/38/22/04/172382204.db2.gz VZNBLVDICWMQOK-UHFFFAOYSA-N 0 0 248.311 2.299 50 0 BEAARN CN(C)C(=O)c1cc2cccc3c2n1CCS3 ZINC000064551729 172388953 /nfs/dbraw/zinc/38/89/53/172388953.db2.gz PZIYBIUSXRHDPB-UHFFFAOYSA-N 0 0 246.335 2.449 50 0 BEAARN CN(C)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000029557677 172388912 /nfs/dbraw/zinc/38/89/12/172388912.db2.gz IAEFXXODBLIBJR-UHFFFAOYSA-N 0 0 206.220 2.009 50 0 BEAARN CN(C)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103930103 172388938 /nfs/dbraw/zinc/38/89/38/172388938.db2.gz ATAAPRFSXHDIGK-UHFFFAOYSA-N 0 0 232.258 2.318 50 0 BEAARN CN(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000019274478 172391648 /nfs/dbraw/zinc/39/16/48/172391648.db2.gz NPXZDWHQMPNDEF-UHFFFAOYSA-N 0 0 219.071 2.090 50 0 BEAARN CN(C)S(=O)(=O)c1csc2ccccc21 ZINC000071766570 172516871 /nfs/dbraw/zinc/51/68/71/172516871.db2.gz SWJOMARNCSDQBN-UHFFFAOYSA-N 0 0 241.337 2.152 50 0 BEAARN CN(CC1CCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000071894332 172655873 /nfs/dbraw/zinc/65/58/73/172655873.db2.gz FYKKFDMJCCVQDK-UHFFFAOYSA-N 0 0 247.294 2.287 50 0 BEAARN CN(C[C@@H]1CCOC1)C(=O)CCc1ccccc1 ZINC000169762942 172816239 /nfs/dbraw/zinc/81/62/39/172816239.db2.gz MPULDEXWXWUSCR-AWEZNQCLSA-N 0 0 247.338 2.114 50 0 BEAARN CN(Cc1ccccc1)c1cc(Cl)nc(N)n1 ZINC000001395140 172874102 /nfs/dbraw/zinc/87/41/02/172874102.db2.gz WWVHHTGIAABXJK-UHFFFAOYSA-N 0 0 248.717 2.349 50 0 BEAARN CN1CCc2c3ccc(F)cc3[nH]c2C1 ZINC000034925340 173168343 /nfs/dbraw/zinc/16/83/43/173168343.db2.gz QODRDDGJXSQNFK-UHFFFAOYSA-N 0 0 204.248 2.295 50 0 BEAARN CN1Cc2cccc(Br)c2C1=O ZINC000091304882 173202450 /nfs/dbraw/zinc/20/24/50/173202450.db2.gz XVELRSQAHQYTRK-UHFFFAOYSA-N 0 0 226.073 2.035 50 0 BEAARN CNC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000001453025 173211471 /nfs/dbraw/zinc/21/14/71/173211471.db2.gz YEBIYCKHVHLBHN-AATRIKPKSA-N 0 0 229.201 2.465 50 0 BEAARN CNC(=O)COc1cc(Cl)ccc1Cl ZINC000003435964 173279360 /nfs/dbraw/zinc/27/93/60/173279360.db2.gz QEJXLLJTYOGDMI-UHFFFAOYSA-N 0 0 234.082 2.118 50 0 BEAARN CNC(=O)CSCc1c(F)cccc1Cl ZINC000000382767 173279824 /nfs/dbraw/zinc/27/98/24/173279824.db2.gz BWWRNUZOICAPNI-UHFFFAOYSA-N 0 0 247.722 2.458 50 0 BEAARN CNC(=O)CS[C@@H](C)c1ccccc1F ZINC000059831699 173280027 /nfs/dbraw/zinc/28/00/27/173280027.db2.gz UMZMOJQNAKSEOX-QMMMGPOBSA-N 0 0 227.304 2.366 50 0 BEAARN CNC(=O)CSCc1cc(C)cc(C)c1 ZINC000000443690 173280060 /nfs/dbraw/zinc/28/00/60/173280060.db2.gz ZOMYXBRBQMIHSY-UHFFFAOYSA-N 0 0 223.341 2.283 50 0 BEAARN CNC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000080633060 173290777 /nfs/dbraw/zinc/29/07/77/173290777.db2.gz MXOGPNHKTBIASV-MRVPVSSYSA-N 0 0 242.706 2.036 50 0 BEAARN CNC(=O)Oc1ccccc1OC(C)C ZINC000001590885 173293712 /nfs/dbraw/zinc/29/37/12/173293712.db2.gz ISRUGXGCCGIOQO-UHFFFAOYSA-N 0 0 209.245 2.192 50 0 biogenic,world BEAARN CNC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000013708793 173304282 /nfs/dbraw/zinc/30/42/82/173304282.db2.gz DIBHJLCJTHKCOD-JTQLQIEISA-N 0 0 229.279 2.353 50 0 BEAARN CNC(=O)[C@H](C)SCc1ccccc1 ZINC000000379178 173304340 /nfs/dbraw/zinc/30/43/40/173304340.db2.gz FUJFLTMYPJAEOH-VIFPVBQESA-N 0 0 209.314 2.054 50 0 BEAARN CNC(=O)c1c(C)c2cc(Cl)ccc2n1C ZINC000016266571 173309199 /nfs/dbraw/zinc/30/91/99/173309199.db2.gz DBMFNADKIWUKKM-UHFFFAOYSA-N 0 0 236.702 2.500 50 0 BEAARN CNC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000045164157 173309264 /nfs/dbraw/zinc/30/92/64/173309264.db2.gz PMCVSXTYEDGRJE-UHFFFAOYSA-N 0 0 226.279 2.083 50 0 BEAARN CNC(=O)c1cc(Cl)cc(Br)c1 ZINC000077425368 173309433 /nfs/dbraw/zinc/30/94/33/173309433.db2.gz XARCLGSNPFJPPK-UHFFFAOYSA-N 0 0 248.507 2.462 50 0 BEAARN CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000001405243 173309549 /nfs/dbraw/zinc/30/95/49/173309549.db2.gz BICUCGPTPDFRIK-UHFFFAOYSA-N 0 0 204.056 2.353 50 0 BEAARN CNC(=O)c1cc(Cl)ccc1Br ZINC000032772249 173309621 /nfs/dbraw/zinc/30/96/21/173309621.db2.gz APIQZFSOQKVTRY-UHFFFAOYSA-N 0 0 248.507 2.462 50 0 BEAARN CNC(=O)c1ccc(Nc2ccc(C)cc2)nc1 ZINC000057529721 173311158 /nfs/dbraw/zinc/31/11/58/173311158.db2.gz BOFNXZNGEGIICV-UHFFFAOYSA-N 0 0 241.294 2.493 50 0 BEAARN CNC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968329 173311327 /nfs/dbraw/zinc/31/13/27/173311327.db2.gz FINPZODANSMQGP-UHFFFAOYSA-N 0 0 218.256 2.311 50 0 BEAARN CNC(=O)c1cccc(-c2ccccc2OC)n1 ZINC000216169958 173311448 /nfs/dbraw/zinc/31/14/48/173311448.db2.gz CNIXIFPKWORNNP-UHFFFAOYSA-N 0 0 242.278 2.117 50 0 BEAARN CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000007007377 173311508 /nfs/dbraw/zinc/31/15/08/173311508.db2.gz UKUPFXPDMYJYSN-UHFFFAOYSA-N 0 0 202.257 2.144 50 0 BEAARN CNC(=S)Nc1ccccc1Br ZINC000004663255 173317169 /nfs/dbraw/zinc/31/71/69/173317169.db2.gz AKOQJTGAEHJZSB-UHFFFAOYSA-N 0 0 245.145 2.365 50 0 BEAARN CNC(=S)c1ccc2ccccc2n1 ZINC000000459210 173317962 /nfs/dbraw/zinc/31/79/62/173317962.db2.gz MQYPTPQUSFWMRA-UHFFFAOYSA-N 0 0 202.282 2.130 50 0 BEAARN COC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000001670069 173507373 /nfs/dbraw/zinc/50/73/73/173507373.db2.gz VUNAVDASMZBUSC-UHFFFAOYSA-N 0 0 208.257 2.146 50 0 BEAARN COC(=O)C(F)(F)c1ccc(C)cc1 ZINC000095774123 173507658 /nfs/dbraw/zinc/50/76/58/173507658.db2.gz LREJIQROZBQBFK-UHFFFAOYSA-N 0 0 200.184 2.260 50 0 BEAARN COC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000001855742 173526990 /nfs/dbraw/zinc/52/69/90/173526990.db2.gz DPLXGTDPNMHXSC-UHFFFAOYSA-N 0 0 232.279 2.311 50 0 BEAARN COC(=O)CCCn1nnc2cc(C)c(C)cc21 ZINC000094993280 173547564 /nfs/dbraw/zinc/54/75/64/173547564.db2.gz NUTHKNZBJCSVIC-UHFFFAOYSA-N 0 0 247.298 2.001 50 0 BEAARN COC(=O)CCc1c[nH]c2ccccc12 ZINC000000260126 173566834 /nfs/dbraw/zinc/56/68/34/173566834.db2.gz BAYIDMGOQRXHBC-UHFFFAOYSA-N 0 0 203.241 2.274 50 0 BEAARN COC(=O)CN(CC(C)C)c1cccc(O)c1 ZINC000096444961 173582560 /nfs/dbraw/zinc/58/25/60/173582560.db2.gz FLNBZZPIDSAUPB-UHFFFAOYSA-N 0 0 237.299 2.028 50 0 BEAARN COC(=O)[C@H]1CC=C(Br)CC1 ZINC000169725192 173808932 /nfs/dbraw/zinc/80/89/32/173808932.db2.gz GMRKRCWRLAOLRS-LURJTMIESA-N 0 0 219.078 2.238 50 0 BEAARN COC(=O)c1cc(C(=O)c2ccccc2C)c[nH]1 ZINC000001403977 173851033 /nfs/dbraw/zinc/85/10/33/173851033.db2.gz ACZVCUIOPHSVQC-UHFFFAOYSA-N 0 0 243.262 2.341 50 0 BEAARN COC(=O)c1cc2c(SC)cc[nH]c-2n1 ZINC000030677910 173862817 /nfs/dbraw/zinc/86/28/17/173862817.db2.gz WZLRAIPOSYOHQG-UHFFFAOYSA-N 0 0 222.269 2.071 50 0 BEAARN COC(=O)c1cc2c(nc3sccn32)s1 ZINC000004002433 173863278 /nfs/dbraw/zinc/86/32/78/173863278.db2.gz YWZNRXUWZQRMGV-UHFFFAOYSA-N 0 0 238.293 2.397 50 0 BEAARN COC(=O)c1ccc(C(F)(F)F)c(N)c1 ZINC000034468993 173870559 /nfs/dbraw/zinc/87/05/59/173870559.db2.gz GESWYDYJQMSAOJ-UHFFFAOYSA-N 0 0 219.162 2.074 50 0 BEAARN COC(=O)c1ccc(NC(C)=O)cc1Cl ZINC000034448035 173883714 /nfs/dbraw/zinc/88/37/14/173883714.db2.gz KVPHKHUNUFCQDG-UHFFFAOYSA-N 0 0 227.647 2.085 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000014788448 173896294 /nfs/dbraw/zinc/89/62/94/173896294.db2.gz OEEZXWYOYOXHMF-KWQFWETISA-N 0 0 233.267 2.068 50 0 BEAARN COC(=O)c1cccc(OC(=O)c2ccco2)c1 ZINC000012137973 173896597 /nfs/dbraw/zinc/89/65/97/173896597.db2.gz ACODLONONVWMGI-UHFFFAOYSA-N 0 0 246.218 2.285 50 0 BEAARN COC(=O)c1nsc2cc(OC)ccc21 ZINC000096301140 173918781 /nfs/dbraw/zinc/91/87/81/173918781.db2.gz RXDFCWVEJBGZAC-UHFFFAOYSA-N 0 0 223.253 2.092 50 0 BEAARN COC(=O)c1sccc1Oc1ncccn1 ZINC000001402044 173923501 /nfs/dbraw/zinc/92/35/01/173923501.db2.gz MDDIKAYHCHNOQH-UHFFFAOYSA-N 0 0 236.252 2.117 50 0 BEAARN COC1=CC(=O)O[C@H](CCc2ccccc2)C1 ZINC000001703461 174013220 /nfs/dbraw/zinc/01/32/20/174013220.db2.gz VOOYTQRREPYRIW-GFCCVEGCSA-N 0 0 232.279 2.465 50 0 endogenous,in-man BEAARN COC1CCC(N(C)C(=O)c2ccco2)CC1 ZINC000078731404 174021719 /nfs/dbraw/zinc/02/17/19/174021719.db2.gz JFMVTROTZRVGAD-UHFFFAOYSA-N 0 0 237.299 2.309 50 0 BEAARN COCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000040534901 174054179 /nfs/dbraw/zinc/05/41/79/174054179.db2.gz IJLCLLIYDCOZGI-VIFPVBQESA-N 0 0 241.718 2.034 50 0 BEAARN COCC(C)(C)N(Cc1ccccc1)C(C)=O ZINC000195577946 174079521 /nfs/dbraw/zinc/07/95/21/174079521.db2.gz SNAZVXRZPAPEDL-UHFFFAOYSA-N 0 0 235.327 2.460 50 0 BEAARN COCCCNC(=O)C[C@H](C)c1ccccc1 ZINC000002743543 174240582 /nfs/dbraw/zinc/24/05/82/174240582.db2.gz JXTVOQQYKZWERI-LBPRGKRZSA-N 0 0 235.327 2.333 50 0 BEAARN COCCCNC(=O)Nc1cc(F)ccc1C ZINC000040525995 174242353 /nfs/dbraw/zinc/24/23/53/174242353.db2.gz ZTMCLOZZAYYNTO-UHFFFAOYSA-N 0 0 240.278 2.292 50 0 BEAARN COCCCNC(=O)Nc1cccc(C)c1C ZINC000040525354 174242864 /nfs/dbraw/zinc/24/28/64/174242864.db2.gz LIZKZNUHOGZJQI-UHFFFAOYSA-N 0 0 236.315 2.461 50 0 BEAARN COCCCn1ccc(NCc2ccc(C)o2)n1 ZINC000096473171 174266843 /nfs/dbraw/zinc/26/68/43/174266843.db2.gz AXGMAGPHYYDCBB-UHFFFAOYSA-N 0 0 249.314 2.433 50 0 BEAARN COCCN(C)C(=O)Nc1cccc(Cl)c1 ZINC000049211882 174272461 /nfs/dbraw/zinc/27/24/61/174272461.db2.gz VNYSDCNCHNMEEC-UHFFFAOYSA-N 0 0 242.706 2.450 50 0 BEAARN COCCN(C)Cc1ccccc1Cl ZINC000053403395 174281432 /nfs/dbraw/zinc/28/14/32/174281432.db2.gz SSWFJFFIWKCOCR-UHFFFAOYSA-N 0 0 213.708 2.418 50 0 BEAARN COCCN(Cc1ccccc1)c1cnccn1 ZINC000133498593 174299214 /nfs/dbraw/zinc/29/92/14/174299214.db2.gz SHADUIHBLLDYDM-UHFFFAOYSA-N 0 0 243.310 2.130 50 0 BEAARN COCCN(Cc1ccccc1)c1ncccn1 ZINC000095428510 174299885 /nfs/dbraw/zinc/29/98/85/174299885.db2.gz YTCFUKDLNWYPMI-UHFFFAOYSA-N 0 0 243.310 2.130 50 0 BEAARN COCCNC(=O)/C=C\c1ccc(Cl)s1 ZINC000096936424 174319176 /nfs/dbraw/zinc/31/91/76/174319176.db2.gz SIYLFNBEEGCRKO-HYXAFXHYSA-N 0 0 245.731 2.177 50 0 BEAARN COCCNC(=O)/C=C/c1cccc(Cl)c1 ZINC000002774409 174319610 /nfs/dbraw/zinc/31/96/10/174319610.db2.gz JETJNUGKRPZDBW-AATRIKPKSA-N 0 0 239.702 2.116 50 0 BEAARN COCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000040160747 174328514 /nfs/dbraw/zinc/32/85/14/174328514.db2.gz SALQACNZUBFGRC-UHFFFAOYSA-N 0 0 247.216 2.082 50 0 BEAARN COCCNC(=O)c1csc(C(C)C)c1 ZINC000012382880 174329253 /nfs/dbraw/zinc/32/92/53/174329253.db2.gz MBGOUFIHPIVEGC-UHFFFAOYSA-N 0 0 227.329 2.248 50 0 BEAARN COCCNC(=O)c1cccc(Cl)c1Cl ZINC000013328012 174329412 /nfs/dbraw/zinc/32/94/12/174329412.db2.gz DSSFLTMGGKHFHL-UHFFFAOYSA-N 0 0 248.109 2.370 50 0 BEAARN COCCNC(=S)Nc1ccccc1Cl ZINC000002994966 174330624 /nfs/dbraw/zinc/33/06/24/174330624.db2.gz CDMQKHKUZCVSDR-UHFFFAOYSA-N 0 0 244.747 2.273 50 0 BEAARN COCCNC(=S)Nc1ccc(C)c(F)c1 ZINC000002809102 174330626 /nfs/dbraw/zinc/33/06/26/174330626.db2.gz BYUWAAMRSJXWFR-UHFFFAOYSA-N 0 0 242.319 2.067 50 0 BEAARN COCCNc1nc(SC)nc2ccccc21 ZINC000005526507 174341534 /nfs/dbraw/zinc/34/15/34/174341534.db2.gz GHBDUJQDQNMUHJ-UHFFFAOYSA-N 0 0 249.339 2.410 50 0 BEAARN COCCOc1ccc(Cl)c(O)c1 ZINC000261494204 174368362 /nfs/dbraw/zinc/36/83/62/174368362.db2.gz RVVOMLCVGBIJBY-UHFFFAOYSA-N 0 0 202.637 2.071 50 0 BEAARN COCCOc1ccc(N)c(C(F)(F)F)c1 ZINC000014630293 174368366 /nfs/dbraw/zinc/36/83/66/174368366.db2.gz PSBFRGLDOJPXGQ-UHFFFAOYSA-N 0 0 235.205 2.313 50 0 BEAARN COCCSCCC(=O)Nc1ccccc1 ZINC000078555688 174374703 /nfs/dbraw/zinc/37/47/03/174374703.db2.gz GZPCAEDWMLFPGH-UHFFFAOYSA-N 0 0 239.340 2.395 50 0 BEAARN COCCSc1cc(F)ccc1C(=O)OC ZINC000096490413 174376703 /nfs/dbraw/zinc/37/67/03/174376703.db2.gz IMYMXRMSSRZANK-UHFFFAOYSA-N 0 0 244.287 2.351 50 0 BEAARN COCCSCc1cn2ccsc2n1 ZINC000097212684 174376812 /nfs/dbraw/zinc/37/68/12/174376812.db2.gz PTHFYZCCWBTOGU-UHFFFAOYSA-N 0 0 228.342 2.275 50 0 BEAARN COCC[C@H](C)SCc1nnc(C)o1 ZINC000096467892 174410517 /nfs/dbraw/zinc/41/05/17/174410517.db2.gz BLXMTJGTKMLXRM-ZETCQYMHSA-N 0 0 216.306 2.036 50 0 BEAARN COCCc1noc([C@@H]2CC=CCC2)n1 ZINC000096405251 174427250 /nfs/dbraw/zinc/42/72/50/174427250.db2.gz IRCZYLYIJLVYBX-SECBINFHSA-N 0 0 208.261 2.082 50 0 BEAARN COCOc1cccc(Br)c1 ZINC000038524364 174432030 /nfs/dbraw/zinc/43/20/30/174432030.db2.gz YFANLWQCURKNOI-UHFFFAOYSA-N 0 0 217.062 2.432 50 0 BEAARN COC[C@H](C)NC(=O)Nc1cc(F)ccc1C ZINC000058282839 174545071 /nfs/dbraw/zinc/54/50/71/174545071.db2.gz SIFHBGDUXKAHAB-VIFPVBQESA-N 0 0 240.278 2.291 50 0 BEAARN COC[C@H](C)Nc1nc(-c2ccc(C)cc2)no1 ZINC000095994677 174553712 /nfs/dbraw/zinc/55/37/12/174553712.db2.gz KJXJNVKKQOINNL-JTQLQIEISA-N 0 0 247.298 2.492 50 0 BEAARN COC[C@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000072311185 174554510 /nfs/dbraw/zinc/55/45/10/174554510.db2.gz BRWYCAFLFBXTQA-VIFPVBQESA-N 0 0 234.251 2.207 50 0 BEAARN COCc1c2ccccc2oc1C(=O)OC ZINC000003887081 174617743 /nfs/dbraw/zinc/61/77/43/174617743.db2.gz AFQKQVQQYOREBA-UHFFFAOYSA-N 0 0 220.224 2.366 50 0 BEAARN COCc1cccc(NC(=O)c2ccncc2)c1 ZINC000025334792 174631964 /nfs/dbraw/zinc/63/19/64/174631964.db2.gz INZOCKLOPABZRP-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN COCc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000064556943 174646091 /nfs/dbraw/zinc/64/60/91/174646091.db2.gz CKXFBKYFBABYKQ-UHFFFAOYSA-N 0 0 218.256 2.500 50 0 BEAARN COCc1nnc(-c2sccc2C)o1 ZINC000064556953 174646343 /nfs/dbraw/zinc/64/63/43/174646343.db2.gz IPTWRHYZGLQPPJ-UHFFFAOYSA-N 0 0 210.258 2.253 50 0 BEAARN CONC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000071915876 174665870 /nfs/dbraw/zinc/66/58/70/174665870.db2.gz RWRLPWVOSOCGRT-OLZOCXBDSA-N 0 0 248.326 2.258 50 0 BEAARN CO[C@@H](C)CC(=O)Nc1ccc(O)c(Cl)c1 ZINC000097060362 174683460 /nfs/dbraw/zinc/68/34/60/174683460.db2.gz LZTJSXVLHAHOQC-ZETCQYMHSA-N 0 0 243.690 2.409 50 0 BEAARN CO[C@@H](CNC(=O)c1ccccc1C)C(C)C ZINC000074018200 174730828 /nfs/dbraw/zinc/73/08/28/174730828.db2.gz FKXDPVSAEFMFBX-ZDUSSCGKSA-N 0 0 235.327 2.396 50 0 BEAARN CO[C@@H]1CCC[C@@H]1OC(=O)c1c(C)noc1C ZINC000097094955 174749841 /nfs/dbraw/zinc/74/98/41/174749841.db2.gz AMQCBVRGVVVTRK-ZJUUUORDSA-N 0 0 239.271 2.016 50 0 BEAARN CO[C@@H]1Oc2ccccc2N1C(=O)OC(C)C ZINC000044122793 174781296 /nfs/dbraw/zinc/78/12/96/174781296.db2.gz YKVJTKXKGCVKLH-GFCCVEGCSA-N 0 0 237.255 2.360 50 0 BEAARN CO[C@H](C)c1ccc(-c2cnc(N)cn2)cc1 ZINC000032576591 174853219 /nfs/dbraw/zinc/85/32/19/174853219.db2.gz CMYLLCQOUOFQDC-SECBINFHSA-N 0 0 229.283 2.433 50 0 BEAARN CO[C@H]1O[C@H](OC)[C@H]2CC[C@H]3CC[C@@H]1[C@H]32 ZINC000101140034 174906412 /nfs/dbraw/zinc/90/64/12/174906412.db2.gz AMOOOPHHDBJPLB-URIQBSJHSA-N 0 0 212.289 2.014 50 0 BEAARN COc1cc(C)cc2oc(=O)cc(C)c12 ZINC000000211062 174967659 /nfs/dbraw/zinc/96/76/59/174967659.db2.gz LLAVGUABMNSCQD-UHFFFAOYSA-N 0 0 204.225 2.418 50 0 biogenic BEAARN COc1cc(CNC(=O)c2cccs2)ccn1 ZINC000036394623 174983015 /nfs/dbraw/zinc/98/30/15/174983015.db2.gz ARUGFYIYNQUIKY-UHFFFAOYSA-N 0 0 248.307 2.082 50 0 BEAARN COc1cc(OC)c(C(C)=O)c(O)c1Cl ZINC000002519653 175007175 /nfs/dbraw/zinc/00/71/75/175007175.db2.gz JXKHLCYYMOQYED-UHFFFAOYSA-N 0 0 230.647 2.265 50 0 BEAARN COc1cc(OC)c2cccc(OC)c2n1 ZINC000068705127 175009580 /nfs/dbraw/zinc/00/95/80/175009580.db2.gz WHRSSLDKQLHKIM-UHFFFAOYSA-N 0 0 219.240 2.261 50 0 BEAARN COc1cc(OC)cc(C(=O)c2ccccn2)c1 ZINC000043210500 175010016 /nfs/dbraw/zinc/01/00/16/175010016.db2.gz FSEWKRKBIVGSHM-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1cc(OC)cc(C(=O)NCC(C)C)c1 ZINC000000362066 175010108 /nfs/dbraw/zinc/01/01/08/175010108.db2.gz NHRSCIPSUYHNCU-UHFFFAOYSA-N 0 0 237.299 2.090 50 0 BEAARN COc1cc2n[nH]cc2cc1Br ZINC000034515655 175018436 /nfs/dbraw/zinc/01/84/36/175018436.db2.gz WTPPKDNNECOBGC-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1cc2c(cc1OC)C(=O)CC(C)(C)O2 ZINC000000056676 175023331 /nfs/dbraw/zinc/02/33/31/175023331.db2.gz OMWVNQFGCGNZHE-UHFFFAOYSA-N 0 0 236.267 2.448 50 0 BEAARN COc1cc2ccccc2cc1-c1nc(N)n[nH]1 ZINC000006646173 175027726 /nfs/dbraw/zinc/02/77/26/175027726.db2.gz FFQFOEAXIBXPRU-UHFFFAOYSA-N 0 0 240.266 2.216 50 0 BEAARN COc1cc2nc(Cl)[nH]c2cc1OC ZINC000059919074 175028592 /nfs/dbraw/zinc/02/85/92/175028592.db2.gz DVFRGNSDKWHLEZ-UHFFFAOYSA-N 0 0 212.636 2.234 50 0 BEAARN COc1ccc(-c2cc(C(N)=O)c(C)n2C)cc1 ZINC000064551469 175030874 /nfs/dbraw/zinc/03/08/74/175030874.db2.gz NWKYDSFICVMFOU-UHFFFAOYSA-N 0 0 244.294 2.108 50 0 BEAARN COc1ccc(-c2cc[nH]n2)c(OC)c1 ZINC000012420062 175032320 /nfs/dbraw/zinc/03/23/20/175032320.db2.gz HEQGATYGFKDZIA-UHFFFAOYSA-N 0 0 204.229 2.094 50 0 BEAARN COc1ccc(-c2ccc3[nH]nc(N)c3c2)cn1 ZINC000067935048 175034672 /nfs/dbraw/zinc/03/46/72/175034672.db2.gz GMMBQSDRVLBXBY-UHFFFAOYSA-N 0 0 240.266 2.216 50 0 BEAARN COc1ccc(-c2ccnc(N)c2)c(OC)c1 ZINC000065410019 175035977 /nfs/dbraw/zinc/03/59/77/175035977.db2.gz MGODIMHROPJQCU-UHFFFAOYSA-N 0 0 230.267 2.348 50 0 BEAARN COc1ccc(-c2cncnc2)c(C)c1 ZINC000067539852 175036887 /nfs/dbraw/zinc/03/68/87/175036887.db2.gz FYVHMCSIOGTRON-UHFFFAOYSA-N 0 0 200.241 2.461 50 0 BEAARN COc1ccc(-c2ncc[nH]2)c(OC)c1C ZINC000065408926 175040314 /nfs/dbraw/zinc/04/03/14/175040314.db2.gz BANKCAMNYIPMOR-UHFFFAOYSA-N 0 0 218.256 2.402 50 0 BEAARN COc1ccc(-c2nc3n(c2N)CCS3)cc1 ZINC000000324815 175040830 /nfs/dbraw/zinc/04/08/30/175040830.db2.gz PQKZOZYKBYSASI-UHFFFAOYSA-N 0 0 247.323 2.247 50 0 BEAARN COc1ccc(-c2nn3c(C)nnc3s2)cc1 ZINC000000338641 175041191 /nfs/dbraw/zinc/04/11/91/175041191.db2.gz ZXRCBEZUCWCPHH-UHFFFAOYSA-N 0 0 246.295 2.170 50 0 BEAARN COc1ccc(C2N=NC(=S)O2)cc1 ZINC000000197935 175042777 /nfs/dbraw/zinc/04/27/77/175042777.db2.gz UGHZJAXROLHKEH-UHFFFAOYSA-N 0 0 208.242 2.034 50 0 BEAARN COc1ccc(/C=C/C(=O)NC(C)C)cc1OC ZINC000000496578 175046150 /nfs/dbraw/zinc/04/61/50/175046150.db2.gz JUMPWDMRJLWSIL-SOFGYWHQSA-N 0 0 249.310 2.242 50 0 BEAARN COc1ccc(C(=O)C(F)(F)F)c(OC)c1 ZINC000002570707 175052730 /nfs/dbraw/zinc/05/27/30/175052730.db2.gz SLMOFSKRLCGLIX-UHFFFAOYSA-N 0 0 234.173 2.449 50 0 BEAARN COc1ccc(C(=O)C(F)(F)F)cc1OC ZINC000002378569 175053160 /nfs/dbraw/zinc/05/31/60/175053160.db2.gz YFISYXOGMSGFRE-UHFFFAOYSA-N 0 0 234.173 2.449 50 0 BEAARN COc1ccc(C(=O)N2CCC(C)CC2)c(O)c1 ZINC000012998446 175055574 /nfs/dbraw/zinc/05/55/74/175055574.db2.gz ZDDGTNQHJVJHFR-UHFFFAOYSA-N 0 0 249.310 2.273 50 0 BEAARN COc1ccc(C(=O)NC2CCCC2)cc1 ZINC000003093842 175058518 /nfs/dbraw/zinc/05/85/18/175058518.db2.gz NMBPRCNWXBTYJU-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN COc1ccc(C(=O)NC(C)(C)C)cc1OC ZINC000000439673 175058731 /nfs/dbraw/zinc/05/87/31/175058731.db2.gz ROEDHZSAEOUXIV-UHFFFAOYSA-N 0 0 237.299 2.232 50 0 BEAARN COc1ccc(C(=O)NCCC(C)C)c(O)c1 ZINC000012889202 175059209 /nfs/dbraw/zinc/05/92/09/175059209.db2.gz MSNKFSJUIDHPMW-UHFFFAOYSA-N 0 0 237.299 2.177 50 0 BEAARN COc1ccc(C(=O)[O-])cc1C[NH+]1CCCCC1 ZINC000002552524 175064840 /nfs/dbraw/zinc/06/48/40/175064840.db2.gz UAHKFGGWXWIIRF-UHFFFAOYSA-N 0 0 249.310 2.379 50 0 BEAARN COc1ccc(C)cc1CN1CCO[C@@H](C)C1 ZINC000054172228 175074570 /nfs/dbraw/zinc/07/45/70/175074570.db2.gz WQTJGKLUXAVLIJ-LBPRGKRZSA-N 0 0 235.327 2.224 50 0 BEAARN COc1ccc(C)cc1Cn1ccnc1 ZINC000040477627 175077086 /nfs/dbraw/zinc/07/70/86/175077086.db2.gz NPWPORQHHIFGHA-UHFFFAOYSA-N 0 0 202.257 2.248 50 0 BEAARN COc1ccc(C=O)cc1Cn1ccnc1C ZINC000004237832 175085844 /nfs/dbraw/zinc/08/58/44/175085844.db2.gz WMUWZUMEDDBCNN-UHFFFAOYSA-N 0 0 230.267 2.061 50 0 BEAARN COc1ccc(C=O)cc1Br ZINC000000080723 175085872 /nfs/dbraw/zinc/08/58/72/175085872.db2.gz QMPNFQLVIGPNEI-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 biogenic BEAARN COc1ccc(C=O)cc1OCC1CC1 ZINC000036765376 175086026 /nfs/dbraw/zinc/08/60/26/175086026.db2.gz GRDGKQILTBTXSJ-UHFFFAOYSA-N 0 0 206.241 2.297 50 0 BEAARN COc1ccc(CC(=O)Nc2ccncc2)cc1 ZINC000005335325 175087111 /nfs/dbraw/zinc/08/71/11/175087111.db2.gz AFMGJWOROBPOSM-UHFFFAOYSA-N 0 0 242.278 2.271 50 0 BEAARN COc1ccc(CCSc2c[nH]nn2)cc1 ZINC000095411492 175092336 /nfs/dbraw/zinc/09/23/36/175092336.db2.gz QLQZVZGIJOWHQO-UHFFFAOYSA-N 0 0 235.312 2.148 50 0 BEAARN COc1ccc(CN2CCSCC2)cc1F ZINC000047988412 175101950 /nfs/dbraw/zinc/10/19/50/175101950.db2.gz VAVKTUOMVKTUAI-UHFFFAOYSA-N 0 0 241.331 2.383 50 0 BEAARN COc1ccc(CNC(=O)NC(C)(C)C)cc1 ZINC000003359294 175104125 /nfs/dbraw/zinc/10/41/25/175104125.db2.gz KOBJGOYNFMYPGQ-UHFFFAOYSA-N 0 0 236.315 2.293 50 0 BEAARN COc1ccc(CO)cc1OC(F)(F)F ZINC000091251979 175113391 /nfs/dbraw/zinc/11/33/91/175113391.db2.gz XSWBFWDUPUANRL-UHFFFAOYSA-N 0 0 222.162 2.086 50 0 BEAARN COc1ccc(CO)c(C(F)(F)F)c1 ZINC000038529802 175113547 /nfs/dbraw/zinc/11/35/47/175113547.db2.gz MEQLJIHKRJZDPW-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN COc1ccc(CO)c(OC(F)(F)F)c1 ZINC000036533754 175113561 /nfs/dbraw/zinc/11/35/61/175113561.db2.gz KWHDKYNYQDSSHZ-UHFFFAOYSA-N 0 0 222.162 2.086 50 0 BEAARN COc1ccc(CSc2n[nH]c(C)n2)cc1 ZINC000002480018 175114927 /nfs/dbraw/zinc/11/49/27/175114927.db2.gz PVEIAVOPCAIQSK-UHFFFAOYSA-N 0 0 235.312 2.414 50 0 BEAARN COc1ccc(CSc2nc[nH]n2)cc1 ZINC000018179777 175115262 /nfs/dbraw/zinc/11/52/62/175115262.db2.gz KFYAPEBBSZVGIF-UHFFFAOYSA-N 0 0 221.285 2.106 50 0 BEAARN COc1ccc(Cl)cc1N1C(=O)CCC1=O ZINC000000401164 175120971 /nfs/dbraw/zinc/12/09/71/175120971.db2.gz LWJIQUAXZJZXBX-UHFFFAOYSA-N 0 0 239.658 2.002 50 0 BEAARN COc1ccc(I)cc1 ZINC000000391101 175135070 /nfs/dbraw/zinc/13/50/70/175135070.db2.gz SYSZENVIJHPFNL-UHFFFAOYSA-N 0 0 234.036 2.300 50 0 BEAARN COc1ccc(N)cc1OCc1cccnc1 ZINC000020283612 175138892 /nfs/dbraw/zinc/13/88/92/175138892.db2.gz CDQBVEVEFUNMRD-UHFFFAOYSA-N 0 0 230.267 2.251 50 0 BEAARN COc1ccc(NC(=O)C2CCC2)c(OC)c1 ZINC000003606813 175140605 /nfs/dbraw/zinc/14/06/05/175140605.db2.gz PPNNTNFCEWAOOA-UHFFFAOYSA-N 0 0 235.283 2.442 50 0 BEAARN COc1ccc(NC(=O)C2CC2)cc1OC ZINC000000245040 175140814 /nfs/dbraw/zinc/14/08/14/175140814.db2.gz NRCCYMPXTKCJAY-UHFFFAOYSA-N 0 0 221.256 2.052 50 0 BEAARN COc1ccc(NC(=O)N2CCCC[C@H]2C)cn1 ZINC000048019335 175143097 /nfs/dbraw/zinc/14/30/97/175143097.db2.gz RMJMBEPYHLJQHW-SNVBAGLBSA-N 0 0 249.314 2.497 50 0 BEAARN COc1ccc(NC(=O)N2CCC[C@@H](C)C2)cn1 ZINC000048019134 175143428 /nfs/dbraw/zinc/14/34/28/175143428.db2.gz UFSDEIVXOMZYCM-SNVBAGLBSA-N 0 0 249.314 2.354 50 0 BEAARN COc1ccc(NC(=O)N(C)[C@H](C)C2CC2)cn1 ZINC000065567727 175143466 /nfs/dbraw/zinc/14/34/66/175143466.db2.gz ZCZLAMRWHMZKLR-SECBINFHSA-N 0 0 249.314 2.352 50 0 BEAARN COc1ccc(NC(=O)NCC(C)C)cc1 ZINC000000396936 175143606 /nfs/dbraw/zinc/14/36/06/175143606.db2.gz QRJXHJRUXDUUJY-UHFFFAOYSA-N 0 0 222.288 2.473 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000005560000 175145657 /nfs/dbraw/zinc/14/56/57/175145657.db2.gz VVBRWFBHPKUVOI-GZMMTYOYSA-N 0 0 205.257 2.290 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000005559999 175145848 /nfs/dbraw/zinc/14/58/48/175145848.db2.gz VVBRWFBHPKUVOI-LDYMZIIASA-N 0 0 205.257 2.290 50 0 BEAARN COc1ccc(NC(=O)c2cc(C)on2)cc1 ZINC000000408087 175147265 /nfs/dbraw/zinc/14/72/65/175147265.db2.gz CXMVISKUGWXAFS-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(OC)c1 ZINC000005461555 175147750 /nfs/dbraw/zinc/14/77/50/175147750.db2.gz ADRWLHXWNYGAMI-WPRPVWTQSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NCc2c(C)n[nH]c2C)c(C)n1 ZINC000097115625 175151484 /nfs/dbraw/zinc/15/14/84/175151484.db2.gz XSZXRBVQXCJLKV-UHFFFAOYSA-N 0 0 246.314 2.351 50 0 BEAARN COc1ccc([C@@H](O)Cc2cccnc2)cc1 ZINC000000198545 175181298 /nfs/dbraw/zinc/18/12/98/175181298.db2.gz CZSPHAPWHCFCGT-AWEZNQCLSA-N 0 0 229.279 2.366 50 0 BEAARN COc1ccc([C@H]2Cc3n[nH]cc3C(=O)C2)cc1 ZINC000008996591 175181611 /nfs/dbraw/zinc/18/16/11/175181611.db2.gz AFOHREMXXOQWDJ-JTQLQIEISA-N 0 0 242.278 2.331 50 0 BEAARN COc1ccc([C@](C)(O)C2CC2)cc1OC ZINC000055192072 175199957 /nfs/dbraw/zinc/19/99/57/175199957.db2.gz OCZAPVLUWFLFSB-CYBMUJFWSA-N 0 0 222.284 2.321 50 0 BEAARN COc1ccc2[nH]c(N3CCCC3)nc2c1 ZINC000005075276 175201990 /nfs/dbraw/zinc/20/19/90/175201990.db2.gz BGWBDJYFNRCMMJ-UHFFFAOYSA-N 0 0 217.272 2.172 50 0 BEAARN COc1ccc2[nH]c3c(c2c1)CN(C)CC3 ZINC000000487716 175202016 /nfs/dbraw/zinc/20/20/16/175202016.db2.gz DFBGAQRXYSMOMN-UHFFFAOYSA-N 0 0 216.284 2.164 50 0 biogenic BEAARN COc1ccc2c(c1)[C@@H](O)C[C@H](C(F)F)O2 ZINC000043464920 175214398 /nfs/dbraw/zinc/21/43/98/175214398.db2.gz ARCRCIFIKXIOMZ-WCBMZHEXSA-N 0 0 230.210 2.145 50 0 BEAARN COc1ccc2c(c1)[C@@H](O)CC(C)(C)O2 ZINC000011568128 175214432 /nfs/dbraw/zinc/21/44/32/175214432.db2.gz OGDIMNNYYGBSQY-JTQLQIEISA-N 0 0 208.257 2.290 50 0 endogenous,in-man BEAARN COc1ccc2c(c1)[C@H](O)C[C@H](C(F)(F)F)O2 ZINC000043464915 175216889 /nfs/dbraw/zinc/21/68/89/175216889.db2.gz JFPBLFLXPAOFAF-PSASIEDQSA-N 0 0 248.200 2.442 50 0 BEAARN COc1ccc2c(c1)[C@H](SC)C(=O)N2 ZINC000039212797 175217070 /nfs/dbraw/zinc/21/70/70/175217070.db2.gz YCRSXMKKHBGOJD-VIFPVBQESA-N 0 0 209.270 2.051 50 0 BEAARN COc1ccc2c(cc(Br)n2C)n1 ZINC000096029591 175222556 /nfs/dbraw/zinc/22/25/56/175222556.db2.gz FFSHJITVIRNPPK-UHFFFAOYSA-N 0 0 241.088 2.344 50 0 BEAARN COc1ccc2c3c(c(=O)oc2c1O)CCCC3 ZINC000005547387 175223481 /nfs/dbraw/zinc/22/34/81/175223481.db2.gz BGIMCPRKSFDNJB-UHFFFAOYSA-N 0 0 246.262 2.386 50 0 BEAARN COc1ccc2c3c(cccc31)OC2=O ZINC000000519704 175223648 /nfs/dbraw/zinc/22/36/48/175223648.db2.gz DDZBPKVTRVAZSF-UHFFFAOYSA-N 0 0 200.193 2.381 50 0 biogenic BEAARN COc1ccc2ccc(=O)oc2c1C(C)=O ZINC000002562448 175225546 /nfs/dbraw/zinc/22/55/46/175225546.db2.gz OTYBDEHZHXKGBO-UHFFFAOYSA-N 0 0 218.208 2.004 50 0 in-vivo BEAARN COc1cccc(-c2ccccc2CO)n1 ZINC000067919610 175235663 /nfs/dbraw/zinc/23/56/63/175235663.db2.gz RVIMYORAKMSSTM-UHFFFAOYSA-N 0 0 215.252 2.250 50 0 BEAARN COc1cccc(-c2nccn2C)c1F ZINC000032503283 175237580 /nfs/dbraw/zinc/23/75/80/175237580.db2.gz ANCLFCOVSXFKGM-UHFFFAOYSA-N 0 0 206.220 2.235 50 0 BEAARN COc1cccc(C(=O)NCc2ccncc2)c1 ZINC000005393948 175245678 /nfs/dbraw/zinc/24/56/78/175245678.db2.gz USIOQJCVZDYNLK-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1cccc(C(=O)Nc2cccnc2)c1 ZINC000000267329 175246529 /nfs/dbraw/zinc/24/65/29/175246529.db2.gz YXELZTXMRUJORF-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1cccc(C)c1NC(=O)NCC(F)F ZINC000194971519 175247030 /nfs/dbraw/zinc/24/70/30/175247030.db2.gz ZGHJKWMEIKTPRM-UHFFFAOYSA-N 0 0 244.241 2.390 50 0 BEAARN COc1cccc(CC(=O)NC2CCCC2)c1 ZINC000015593412 175250224 /nfs/dbraw/zinc/25/02/24/175250224.db2.gz FJFGMJLNVFYISF-UHFFFAOYSA-N 0 0 233.311 2.297 50 0 BEAARN COc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000003754745 175257493 /nfs/dbraw/zinc/25/74/93/175257493.db2.gz FSNSOIRVTRIDGK-CYBMUJFWSA-N 0 0 249.310 2.134 50 0 BEAARN COc1cccc(CNC(=O)c2ccoc2)c1 ZINC000021840447 175263741 /nfs/dbraw/zinc/26/37/41/175263741.db2.gz ACOTYYQPTXDGBL-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN COc1cccc(NC(=O)NCC2CC2)c1 ZINC000012906884 175276213 /nfs/dbraw/zinc/27/62/13/175276213.db2.gz CXXYKBGDRZQAMU-UHFFFAOYSA-N 0 0 220.272 2.227 50 0 BEAARN COc1cccc(OCCCn2ccnc2)c1 ZINC000013284746 175283151 /nfs/dbraw/zinc/28/31/51/175283151.db2.gz QQCWWIKXBCYQHU-UHFFFAOYSA-N 0 0 232.283 2.361 50 0 BEAARN COc1cccc([C@@H](O)c2ccncc2)c1OC ZINC000001761182 175290179 /nfs/dbraw/zinc/29/01/79/175290179.db2.gz IRFMPRSXHIYMRM-ZDUSSCGKSA-N 0 0 245.278 2.181 50 0 BEAARN COc1cccc([C@H](N)C(F)(F)F)c1 ZINC000043463897 175294106 /nfs/dbraw/zinc/29/41/06/175294106.db2.gz SAIVQMCRUQATAG-QMMMGPOBSA-N 0 0 205.179 2.257 50 0 BEAARN COc1cccc([C@H]2CCCCN(C)C2=O)c1 ZINC000000083033 175295902 /nfs/dbraw/zinc/29/59/02/175295902.db2.gz HPYQDDXKEGCTGC-CYBMUJFWSA-N 0 0 233.311 2.421 50 0 BEAARN COc1cccc2cc(C(C)=O)c(=O)oc21 ZINC000000191850 175306776 /nfs/dbraw/zinc/30/67/76/175306776.db2.gz YZYLMMBZCXTXLW-UHFFFAOYSA-N 0 0 218.208 2.004 50 0 BEAARN COc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1 ZINC000016971690 175308544 /nfs/dbraw/zinc/30/85/44/175308544.db2.gz CHIYLSFVNLCDBQ-UHFFFAOYSA-N 0 0 234.280 2.108 50 0 BEAARN COc1ccccc1/C=C/C(=O)N1CCCC1 ZINC000000468801 175314358 /nfs/dbraw/zinc/31/43/58/175314358.db2.gz KRZTVPRMSBMBMO-CMDGGOBGSA-N 0 0 231.295 2.331 50 0 BEAARN COc1ccccc1C=C1SC(=O)NC1=O ZINC000001452319 175315723 /nfs/dbraw/zinc/31/57/23/175315723.db2.gz LJEQHDQLEYCLSC-TWGQIWQCSA-N 0 0 235.264 2.019 50 0 BEAARN COc1ccccc1C(=O)OCC[C@@H](C)OC ZINC000078949326 175319265 /nfs/dbraw/zinc/31/92/65/175319265.db2.gz AMIFRZPEKVSIMJ-SNVBAGLBSA-N 0 0 238.283 2.277 50 0 BEAARN COc1ccccc1C1=NC(C)(C)CO1 ZINC000000057056 175320772 /nfs/dbraw/zinc/32/07/72/175320772.db2.gz ZGDUNGBWVZKWGE-UHFFFAOYSA-N 0 0 205.257 2.251 50 0 BEAARN COc1ccccc1CC(=O)Nc1ccccn1 ZINC000005335718 175321340 /nfs/dbraw/zinc/32/13/40/175321340.db2.gz LYXKJCUHMJEFPW-UHFFFAOYSA-N 0 0 242.278 2.271 50 0 BEAARN COc1ccccc1CC(=O)n1nc(C)cc1C ZINC000005960761 175321529 /nfs/dbraw/zinc/32/15/29/175321529.db2.gz WKZJFDOOQFNHQI-UHFFFAOYSA-N 0 0 244.294 2.391 50 0 BEAARN COc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000003754747 175327806 /nfs/dbraw/zinc/32/78/06/175327806.db2.gz QGAXUFYVQFXXON-LBPRGKRZSA-N 0 0 249.310 2.134 50 0 BEAARN COc1ccccc1C[C@H](NC(C)=O)C(C)C ZINC000096448311 175333810 /nfs/dbraw/zinc/33/38/10/175333810.db2.gz HTHRBPMQUMZQRG-ZDUSSCGKSA-N 0 0 235.327 2.398 50 0 BEAARN COc1ccccc1NCc1ccnn1C ZINC000002536377 175337449 /nfs/dbraw/zinc/33/74/49/175337449.db2.gz HUWQRDBLUCQZOM-UHFFFAOYSA-N 0 0 217.272 2.041 50 0 BEAARN COc1ccccc1OC(=O)c1cccnc1 ZINC000000396290 175341017 /nfs/dbraw/zinc/34/10/17/175341017.db2.gz KVPUDAXRVGUATI-UHFFFAOYSA-N 0 0 229.235 2.309 50 0 BEAARN COc1ccccc1OCCn1cccc1C=O ZINC000000808198 175341544 /nfs/dbraw/zinc/34/15/44/175341544.db2.gz ZNWNEVWXBZZJJM-UHFFFAOYSA-N 0 0 245.278 2.388 50 0 BEAARN COc1ccnc(NC(=O)Cc2cccs2)c1 ZINC000095977077 175363229 /nfs/dbraw/zinc/36/32/29/175363229.db2.gz QOYMIIHPVUJOHY-UHFFFAOYSA-N 0 0 248.307 2.333 50 0 BEAARN COc1ccnc(NC(=O)CCC(C)C)c1 ZINC000089987078 175363603 /nfs/dbraw/zinc/36/36/03/175363603.db2.gz RAUFPXQVZIBTFK-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN COc1ccnc(NC(=O)C(C)(C)C)c1 ZINC000006643282 175363665 /nfs/dbraw/zinc/36/36/65/175363665.db2.gz PLKXCRFGEHVAAP-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN COc1ccsc1C(=O)OC1CCC1 ZINC000079170581 175377582 /nfs/dbraw/zinc/37/75/82/175377582.db2.gz SEYNNVDGBAKHPW-UHFFFAOYSA-N 0 0 212.270 2.466 50 0 BEAARN COc1ccsc1I ZINC000038954011 175380102 /nfs/dbraw/zinc/38/01/02/175380102.db2.gz POVLWDRUSKHAKW-UHFFFAOYSA-N 0 0 240.065 2.361 50 0 BEAARN COc1cnc(-c2ccccn2)nc1Cl ZINC000000167891 175380351 /nfs/dbraw/zinc/38/03/51/175380351.db2.gz BTHRCJACYHBCHX-UHFFFAOYSA-N 0 0 221.647 2.201 50 0 BEAARN COc1cncc(-c2cccnc2OC)c1 ZINC000067884964 175382668 /nfs/dbraw/zinc/38/26/68/175382668.db2.gz VBGWIIIWHCJDON-UHFFFAOYSA-N 0 0 216.240 2.161 50 0 BEAARN COc1nc(Cl)nc2ccsc21 ZINC000253496097 175392608 /nfs/dbraw/zinc/39/26/08/175392608.db2.gz DGVWJWLQGOOQJQ-UHFFFAOYSA-N 0 0 200.650 2.353 50 0 BEAARN COc1nccnc1-c1ccnc2[nH]ccc21 ZINC000072152925 175410837 /nfs/dbraw/zinc/41/08/37/175410837.db2.gz YXWDABFEFJBPPR-UHFFFAOYSA-N 0 0 226.239 2.029 50 0 BEAARN CSCC[C@H]([NH2+]CC1CCCCC1)C(=O)[O-] ZINC000041689776 175507478 /nfs/dbraw/zinc/50/74/78/175507478.db2.gz UDFHQLDCTCWQQC-NSHDSACASA-N 0 0 245.388 2.363 50 0 BEAARN C[C@@H](NC(=O)C1CCC1)c1ccc2c(c1)OCO2 ZINC000001053939 175827524 /nfs/dbraw/zinc/82/75/24/175827524.db2.gz KQJBHHRFDUYORI-SECBINFHSA-N 0 0 247.294 2.393 50 0 BEAARN C[C@@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000000388648 175945118 /nfs/dbraw/zinc/94/51/18/175945118.db2.gz RQKXFLUAQLDHMO-GFCCVEGCSA-N 0 0 228.291 2.303 50 0 BEAARN C[C@@H](O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000070621191 175999480 /nfs/dbraw/zinc/99/94/80/175999480.db2.gz CWVCDNJHJPPAQD-LDYMZIIASA-N 0 0 238.308 2.148 50 0 BEAARN C[C@@H](O)c1nc2cc(Br)ccc2[nH]1 ZINC000011535782 176000421 /nfs/dbraw/zinc/00/04/21/176000421.db2.gz ZJIWAHDDRRZOQS-RXMQYKEDSA-N 0 0 241.088 2.379 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)NCC(F)(F)F ZINC000013004210 176005576 /nfs/dbraw/zinc/00/55/76/176005576.db2.gz VEGWBYHSTUWCAM-MRVPVSSYSA-N 0 0 247.216 2.132 50 0 BEAARN C[C@@H](SCC(C)(C)C)c1nnnn1C ZINC000252501478 176008065 /nfs/dbraw/zinc/00/80/65/176008065.db2.gz UFQBRKUOTOAEKK-SSDOTTSWSA-N 0 0 214.338 2.050 50 0 BEAARN C[C@@H](Sc1ccc(F)cc1)C(=O)N(C)C ZINC000032741662 176009358 /nfs/dbraw/zinc/00/93/58/176009358.db2.gz BUIGBXOADRTCPA-MRVPVSSYSA-N 0 0 227.304 2.395 50 0 BEAARN C[C@@H](Sc1nc2ccccc2s1)C(N)=O ZINC000003503926 176010332 /nfs/dbraw/zinc/01/03/32/176010332.db2.gz JRRQJZJBWNDOKI-ZCFIWIBFSA-N 0 0 238.337 2.262 50 0 BEAARN C[C@@H](c1ccccc1)N1CCC(=O)CC1 ZINC000000753061 176020702 /nfs/dbraw/zinc/02/07/02/176020702.db2.gz CDVAHHCNEWIUMV-NSHDSACASA-N 0 0 203.285 2.413 50 0 BEAARN C[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000040466499 176069721 /nfs/dbraw/zinc/06/97/21/176069721.db2.gz HSZLHXYJYTUWHE-BXUZGUMPSA-N 0 0 245.322 2.391 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCOCC1 ZINC000058230703 176086642 /nfs/dbraw/zinc/08/66/42/176086642.db2.gz QVDCHSZTIPFJNY-ZYHUDNBSSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=S)NC1CC1 ZINC000006330468 176087586 /nfs/dbraw/zinc/08/75/86/176087586.db2.gz ANMZJIXUPYVJMT-PSASIEDQSA-N 0 0 212.362 2.192 50 0 BEAARN C[C@@H]1CCCC[C@H]1OCCSc1c[nH]nn1 ZINC000097014291 176090458 /nfs/dbraw/zinc/09/04/58/176090458.db2.gz BJFHGKOXUHLXHL-NXEZZACHSA-N 0 0 241.360 2.492 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2cn3c(n2)CCCC3)C1 ZINC000075531364 176095551 /nfs/dbraw/zinc/09/55/51/176095551.db2.gz FUOOJIMBGBSOOM-LLVKDONJSA-N 0 0 247.342 2.092 50 0 BEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000029393 176102815 /nfs/dbraw/zinc/10/28/15/176102815.db2.gz YTXPKIULJSHENU-LLVKDONJSA-N 0 0 239.340 2.107 50 0 BEAARN C[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000000270032 176103244 /nfs/dbraw/zinc/10/32/44/176103244.db2.gz SOGPHQRDWZPROD-SECBINFHSA-N 0 0 245.369 2.169 50 0 BEAARN C[C@@H]1CCCN(S(C)(=O)=O)c2ccccc21 ZINC000097114739 176103328 /nfs/dbraw/zinc/10/33/28/176103328.db2.gz GJVMRFJADUJRRS-SNVBAGLBSA-N 0 0 239.340 2.350 50 0 BEAARN C[C@@H]1CCCN1C1=NC(=O)[C@@H](c2ccccc2)O1 ZINC000039255742 176107467 /nfs/dbraw/zinc/10/74/67/176107467.db2.gz BCKCCDOJBTUCJQ-ZYHUDNBSSA-N 0 0 244.294 2.125 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)CCCn2ccnc2)C1 ZINC000058107428 176141686 /nfs/dbraw/zinc/14/16/86/176141686.db2.gz OOSFNDWFGAIFOS-OLZOCXBDSA-N 0 0 249.358 2.358 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=S)NC2CC2)[C@@H]1C ZINC000007526485 176143394 /nfs/dbraw/zinc/14/33/94/176143394.db2.gz FKBYCYJTJOSXCB-KKZNHRDASA-N 0 0 226.389 2.438 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2F)O1 ZINC000121810534 176221043 /nfs/dbraw/zinc/22/10/43/176221043.db2.gz ZBMSRMONHQDJAJ-LDYMZIIASA-N 0 0 223.247 2.332 50 0 BEAARN C[C@@H]1CN(C(=S)c2ccccc2)C[C@@H](C)O1 ZINC000000457687 176265779 /nfs/dbraw/zinc/26/57/79/176265779.db2.gz UNZKQJMVXLJXRG-GHMZBOCLSA-N 0 0 235.352 2.471 50 0 BEAARN C[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000040479461 176304650 /nfs/dbraw/zinc/30/46/50/176304650.db2.gz ZQMFYXFYNGZBDL-SNVBAGLBSA-N 0 0 209.264 2.046 50 0 BEAARN C[C@@H]1CN(Cc2ccc(F)cn2)CCS1 ZINC000276433904 176304980 /nfs/dbraw/zinc/30/49/80/176304980.db2.gz ZBTVAZTWSQHMFN-SECBINFHSA-N 0 0 226.320 2.158 50 0 BEAARN C[C@@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 ZINC000097235822 176358717 /nfs/dbraw/zinc/35/87/17/176358717.db2.gz RXOBDRVVAUZKKE-GHMZBOCLSA-N 0 0 249.358 2.488 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000007215165 176386311 /nfs/dbraw/zinc/38/63/11/176386311.db2.gz IDLXROVVBKEMEG-ADEWGFFLSA-N 0 0 231.295 2.282 50 0 BEAARN C[C@@H]1Cn2c(nnc2-c2cccc(O)c2)S1 ZINC000000109433 176453142 /nfs/dbraw/zinc/45/31/42/176453142.db2.gz QIFXHKWRDDZATG-SSDOTTSWSA-N 0 0 233.296 2.145 50 0 BEAARN C[C@@](C(=O)[O-])(c1ccccc1)[NH+]1CCCC1 ZINC000037359866 176508028 /nfs/dbraw/zinc/50/80/28/176508028.db2.gz HIWHOHZULRSJMB-ZDUSSCGKSA-N 0 0 219.284 2.082 50 0 biogenic BEAARN C[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000096026221 176573575 /nfs/dbraw/zinc/57/35/75/176573575.db2.gz CJGCFSACALSTJS-WCQYABFASA-N 0 0 233.311 2.085 50 0 BEAARN C[C@H](CC1CCCC1)C(=O)NCCc1cn[nH]c1 ZINC000290617749 176614399 /nfs/dbraw/zinc/61/43/99/176614399.db2.gz TXZSAXKAESPLOC-LLVKDONJSA-N 0 0 249.358 2.285 50 0 BEAARN C[C@H](CO)SCc1noc2c1CCCC2 ZINC000096430341 176708562 /nfs/dbraw/zinc/70/85/62/176708562.db2.gz ROSITPFIOWIQCW-MRVPVSSYSA-N 0 0 227.329 2.167 50 0 BEAARN C[C@H](NC(=O)C1CCCCC1)[C@H]1CCCO1 ZINC000016970916 176788928 /nfs/dbraw/zinc/78/89/28/176788928.db2.gz ZTHUFHDZSOTLRE-CMPLNLGQSA-N 0 0 225.332 2.250 50 0 BEAARN C[C@H](NC(=O)Nc1cccnc1)c1cccnc1 ZINC000048234276 176805141 /nfs/dbraw/zinc/80/51/41/176805141.db2.gz NQRDIUYJZVLDLM-JTQLQIEISA-N 0 0 242.282 2.359 50 0 BEAARN C[C@H](NC(=O)c1ccc(F)cc1)C1CC1 ZINC000001232023 176817757 /nfs/dbraw/zinc/81/77/57/176817757.db2.gz ICGXOKGNLHRRHG-QMMMGPOBSA-N 0 0 207.248 2.354 50 0 BEAARN C[C@H](Nc1cccc(CO)c1)[C@H]1CCOC1 ZINC000183860448 176935068 /nfs/dbraw/zinc/93/50/68/176935068.db2.gz VQRAAVVQKBMLHM-JQWIXIFHSA-N 0 0 221.300 2.016 50 0 BEAARN C[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000059681448 177008032 /nfs/dbraw/zinc/00/80/32/177008032.db2.gz HYTHUSLXQOXIBJ-UWVGGRQHSA-N 0 0 229.320 2.157 50 0 BEAARN C[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000001627125 177015503 /nfs/dbraw/zinc/01/55/03/177015503.db2.gz WYUNHWKTLDBPLE-REOHCLBHSA-N 0 0 212.117 2.435 50 0 BEAARN C[C@H](O)c1cc(Br)ccc1O ZINC000021952745 177016700 /nfs/dbraw/zinc/01/67/00/177016700.db2.gz GYAGFKJTZFIQOE-YFKPBYRVSA-N 0 0 217.062 2.208 50 0 BEAARN C[C@H](O)c1nc2cc(Br)ccc2[nH]1 ZINC000011535781 177018999 /nfs/dbraw/zinc/01/89/99/177018999.db2.gz ZJIWAHDDRRZOQS-YFKPBYRVSA-N 0 0 241.088 2.379 50 0 BEAARN C[C@H](Sc1ccccc1Cl)C(N)=O ZINC000003380625 177029313 /nfs/dbraw/zinc/02/93/13/177029313.db2.gz PFFRQFUJSGGJBT-LURJTMIESA-N 0 0 215.705 2.306 50 0 BEAARN C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)[O-] ZINC000082249580 177031916 /nfs/dbraw/zinc/03/19/16/177031916.db2.gz RPNWETGVFDFBSQ-SSDOTTSWSA-N 0 0 229.226 2.042 50 0 BEAARN C[C@H](c1ccccc1)N1CN=NC1=S ZINC000020583457 177041487 /nfs/dbraw/zinc/04/14/87/177041487.db2.gz IYZFIFLYDCCUFS-MRVPVSSYSA-N 0 0 205.286 2.176 50 0 BEAARN C[C@H](c1cccs1)N(C)C(=O)c1cn[nH]c1 ZINC000037652654 177048966 /nfs/dbraw/zinc/04/89/66/177048966.db2.gz HFEDVEAFIBELAI-MRVPVSSYSA-N 0 0 235.312 2.304 50 0 BEAARN C[C@H]1CCCCN1C(=O)NCC[C@H]1CCCO1 ZINC000071925627 177072833 /nfs/dbraw/zinc/07/28/33/177072833.db2.gz JDBYKZAQKFGNDU-NWDGAFQWSA-N 0 0 240.347 2.140 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccn1 ZINC000047824103 177081915 /nfs/dbraw/zinc/08/19/15/177081915.db2.gz WZYVDHDGBNQEQH-RYUDHWBXSA-N 0 0 248.326 2.155 50 0 BEAARN C[C@H]1CCCC[C@@H]1OCCSc1c[nH]nn1 ZINC000097014289 177084289 /nfs/dbraw/zinc/08/42/89/177084289.db2.gz BJFHGKOXUHLXHL-UWVGGRQHSA-N 0 0 241.360 2.492 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccnc1 ZINC000004666530 177088263 /nfs/dbraw/zinc/08/82/63/177088263.db2.gz SIJBEDJNWKDAJV-CMPLNLGQSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000040505886 177091934 /nfs/dbraw/zinc/09/19/34/177091934.db2.gz ZYVLRFFHDODNDS-NWDGAFQWSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@H]1CC[C@H](C)N1c1ncnc(N)c1Cl ZINC000225481476 177199990 /nfs/dbraw/zinc/19/99/90/177199990.db2.gz XAHAYEVHJIXWEV-BQBZGAKWSA-N 0 0 226.711 2.089 50 0 BEAARN C[C@@H]1CO[C@@H](C)CN1C(=O)CC1CCCC1 ZINC000065604344 177214834 /nfs/dbraw/zinc/21/48/34/177214834.db2.gz NEQDQLFXXVXBEL-MNOVXSKESA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CO[C@@H](C)CN1C(=O)CCc1ccccc1 ZINC000045445955 177215389 /nfs/dbraw/zinc/21/53/89/177215389.db2.gz HZLHZGMDFKMALW-OLZOCXBDSA-N 0 0 247.338 2.255 50 0 BEAARN C[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000032865158 177227091 /nfs/dbraw/zinc/22/70/91/177227091.db2.gz ALNSUNQDBBBXKR-NSHDSACASA-N 0 0 245.322 2.036 50 0 BEAARN C[C@H]1CN(Cc2ccc(F)cn2)CCS1 ZINC000276433907 177263741 /nfs/dbraw/zinc/26/37/41/177263741.db2.gz ZBTVAZTWSQHMFN-VIFPVBQESA-N 0 0 226.320 2.158 50 0 BEAARN C[C@H]1CN(Cc2cccc(F)c2)C[C@H](C)O1 ZINC000019607201 177264976 /nfs/dbraw/zinc/26/49/76/177264976.db2.gz PJHKUPBBKSQXMK-QWRGUYRKSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@@H]1COC[C@H](C)N1C(=O)CCc1ccccc1 ZINC000040634619 177298268 /nfs/dbraw/zinc/29/82/68/177298268.db2.gz JSZLFDZPTSCBCB-BETUJISGSA-N 0 0 247.338 2.255 50 0 BEAARN C[C@H]1COC[C@H](C)N1C(=O)CSC(C)(C)C ZINC000098012937 177299081 /nfs/dbraw/zinc/29/90/81/177299081.db2.gz YWXFLDBTTFAXPN-UWVGGRQHSA-N 0 0 245.388 2.154 50 0 BEAARN C[C@H]1CSCCN1C(=O)Nc1nccs1 ZINC000072291888 177303903 /nfs/dbraw/zinc/30/39/03/177303903.db2.gz HDEOPRDJFDDFJH-ZETCQYMHSA-N 0 0 243.357 2.112 50 0 BEAARN C[C@H]1C[C@@H](CNC(=O)Nc2cccnc2)CCO1 ZINC000095457623 177324871 /nfs/dbraw/zinc/32/48/71/177324871.db2.gz KBLYHTUHHRWCNZ-QWRGUYRKSA-N 0 0 249.314 2.018 50 0 BEAARN C[C@H]1C[C@@H](Sc2nccn2C2CC2)C(=O)O1 ZINC000040489851 177338311 /nfs/dbraw/zinc/33/83/11/177338311.db2.gz UQKIMSPKGOXMOV-IONNQARKSA-N 0 0 238.312 2.014 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000040457426 177340442 /nfs/dbraw/zinc/34/04/42/177340442.db2.gz SSVHQJDZKYMPPD-CABZTGNLSA-N 0 0 221.275 2.140 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCc1ccccc1F ZINC000021269937 177341068 /nfs/dbraw/zinc/34/10/68/177341068.db2.gz ZSUNDFGRFWRAHX-WPRPVWTQSA-N 0 0 207.248 2.098 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=S)NC2CC2)C1 ZINC000013827490 177357633 /nfs/dbraw/zinc/35/76/33/177357633.db2.gz ZDPKKDDUHJJTQO-IUCAKERBSA-N 0 0 212.362 2.001 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccco2)C1 ZINC000000029996 177357659 /nfs/dbraw/zinc/35/76/59/177357659.db2.gz BAIZGXIYKGQGAN-UWVGGRQHSA-N 0 0 207.273 2.398 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccoc2)C1 ZINC000040480555 177358067 /nfs/dbraw/zinc/35/80/67/177358067.db2.gz ZEQJSJVYKOXNKP-UWVGGRQHSA-N 0 0 207.273 2.398 50 0 BEAARN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)[O-] ZINC000265259935 177375319 /nfs/dbraw/zinc/37/53/19/177375319.db2.gz QNVYZLUZNZVZBH-AAEUAGOBSA-N 0 0 233.311 2.339 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000058393760 177376587 /nfs/dbraw/zinc/37/65/87/177376587.db2.gz WHYVVYQRRWBCCY-GXFFZTMASA-N 0 0 230.311 2.229 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCOC1 ZINC000082337164 177389475 /nfs/dbraw/zinc/38/94/75/177389475.db2.gz LNAGLHNDIUPFLM-WCQYABFASA-N 0 0 245.322 2.391 50 0 BEAARN C[C@H]1Oc2ccc(Br)cc2NC1=O ZINC000022995841 177410534 /nfs/dbraw/zinc/41/05/34/177410534.db2.gz NUXLDNTZFXDNBA-RXMQYKEDSA-N 0 0 242.072 2.169 50 0 BEAARN C[C@](O)(CCO)C12CC3CC(CC(C3)C1)C2 ZINC000004321840 177448662 /nfs/dbraw/zinc/44/86/62/177448662.db2.gz AYTFFACXPPDYFK-PRTVBDMESA-N 0 0 224.344 2.336 50 0 BEAARN C[C@](O)(c1ccc(O)cc1)C(F)(F)F ZINC000043368153 177451855 /nfs/dbraw/zinc/45/18/55/177451855.db2.gz WNKAWMMGLNHYRT-QMMMGPOBSA-N 0 0 206.163 2.162 50 0 BEAARN C[C@]1(O)N(C2CC2)C(=O)OC12CCCCC2 ZINC000004727300 177476648 /nfs/dbraw/zinc/47/66/48/177476648.db2.gz NRIKWDLIBJEUIE-LLVKDONJSA-N 0 0 225.288 2.012 50 0 BEAARN Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cnn1C ZINC000058290934 177561516 /nfs/dbraw/zinc/56/15/16/177561516.db2.gz BWOJCSAHYVCLNS-GWCFXTLKSA-N 0 0 249.358 2.379 50 0 BEAARN Cc1c(Cl)cccc1NC(N)=S ZINC000002528130 177602102 /nfs/dbraw/zinc/60/21/02/177602102.db2.gz AHBGQCBZPGOVQK-UHFFFAOYSA-N 0 0 200.694 2.304 50 0 BEAARN Cc1c(Cl)cnc(N)c1Br ZINC000040456696 177603681 /nfs/dbraw/zinc/60/36/81/177603681.db2.gz OWJIALCPQCHFFZ-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000249309259 487644167 /nfs/dbraw/zinc/64/41/67/487644167.db2.gz HUEKXTQTVHOCEQ-RTXFEEFZSA-N 0 0 230.311 2.401 50 0 BEAARN COc1cccc(CN[C@@H](C)c2cn[nH]c2)c1F ZINC000669683876 487647259 /nfs/dbraw/zinc/64/72/59/487647259.db2.gz BUIQOZYWVYAYOC-VIFPVBQESA-N 0 0 249.289 2.408 50 0 BEAARN O=C1Cc2c(cc(F)c(Br)c2F)N1 ZINC000498050854 226330338 /nfs/dbraw/zinc/33/03/38/226330338.db2.gz ITRAJOLJFWRBGU-UHFFFAOYSA-N 0 0 248.026 2.222 50 0 BEAARN Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)s1 ZINC000032865172 487695573 /nfs/dbraw/zinc/69/55/73/487695573.db2.gz FUFYMAWEXNDWQW-QMMMGPOBSA-N 0 0 239.340 2.226 50 0 BEAARN O=C1C[C@]23CC(O)C[C@]2(C1)CCCCC3 ZINC000045072048 262790472 /nfs/dbraw/zinc/79/04/72/262790472.db2.gz PUQZZGZHOUIXIO-STQMWFEESA-N 0 0 208.301 2.441 50 0 BEAARN Cc1cc2c(c(Br)c1)OC[C@H]2O ZINC000084150273 487811512 /nfs/dbraw/zinc/81/15/12/487811512.db2.gz ZUAGOJVQIMCGHK-MRVPVSSYSA-N 0 0 229.073 2.183 50 0 BEAARN Cc1cc2c(c(Br)c1)OC[C@@H]2O ZINC000084150272 487811732 /nfs/dbraw/zinc/81/17/32/487811732.db2.gz ZUAGOJVQIMCGHK-QMMMGPOBSA-N 0 0 229.073 2.183 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1F ZINC000045293367 487834054 /nfs/dbraw/zinc/83/40/54/487834054.db2.gz CGUXFWWFPRLSKX-KOLCDFICSA-N 0 0 221.275 2.140 50 0 BEAARN CC(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053641629 487857269 /nfs/dbraw/zinc/85/72/69/487857269.db2.gz QGNMSFNLHNDRCY-KCJUWKMLSA-N 0 0 207.273 2.381 50 0 BEAARN CCc1nsc(SCc2cnn(C)c2)n1 ZINC000083830543 487940252 /nfs/dbraw/zinc/94/02/52/487940252.db2.gz KZWOLLFHOCKGEB-UHFFFAOYSA-N 0 0 240.357 2.126 50 0 BEAARN CC(C)=CCN1C(=O)c2ccccc2C1=O ZINC000000402053 322809536 /nfs/dbraw/zinc/80/95/36/322809536.db2.gz NPPJFTLLMRKUHM-UHFFFAOYSA-N 0 0 215.252 2.249 50 0 BEAARN CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000000517139 322809831 /nfs/dbraw/zinc/80/98/31/322809831.db2.gz AOVJSWHKUGNIDY-UHFFFAOYSA-N 0 0 217.224 2.060 50 0 biogenic BEAARN CC[C@H](C)OCC(=O)Nc1ccc(O)cc1F ZINC000097238344 322986588 /nfs/dbraw/zinc/98/65/88/322986588.db2.gz SZVACIXSOKYWCP-QMMMGPOBSA-N 0 0 241.262 2.285 50 0 BEAARN Cc1nc(C)c(C(=O)N2CCc3ccccc32)o1 ZINC000074675665 323002099 /nfs/dbraw/zinc/00/20/99/323002099.db2.gz FAVAQXIPTCTPAX-UHFFFAOYSA-N 0 0 242.278 2.494 50 0 BEAARN CCc1ocnc1C(=O)Nc1cnn(C(C)C)c1 ZINC000562043871 323011090 /nfs/dbraw/zinc/01/10/90/323011090.db2.gz UXFRQXQXUDYATH-UHFFFAOYSA-N 0 0 248.286 2.267 50 0 BEAARN COCCOc1ccc(-c2ccc[nH]c2=O)cc1 ZINC000534592190 323154566 /nfs/dbraw/zinc/15/45/66/323154566.db2.gz WRPPJWXHBJOWJU-UHFFFAOYSA-N 0 0 245.278 2.479 50 0 BEAARN CO[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000049080939 323158095 /nfs/dbraw/zinc/15/80/95/323158095.db2.gz JKUSOQFPUNDOKP-GVDDXCRBSA-N 0 0 237.343 2.106 50 0 BEAARN CCCc1cnc(NCC[C@H]2CCCOC2)nc1 ZINC000534663464 323159259 /nfs/dbraw/zinc/15/92/59/323159259.db2.gz DYPDATHNWKJDMN-GFCCVEGCSA-N 0 0 249.358 2.080 50 0 BEAARN O=c1c(Cl)c(O)cnn1C1CCCCC1 ZINC000006557271 323235414 /nfs/dbraw/zinc/23/54/14/323235414.db2.gz OMXVBEZHRMXROB-UHFFFAOYSA-N 0 0 228.679 2.108 50 0 BEAARN CCOC(=O)Cn1ccc2cc(C=O)ccc21 ZINC000144123525 323238374 /nfs/dbraw/zinc/23/83/74/323238374.db2.gz PVRJHMKNUYHGRJ-UHFFFAOYSA-N 0 0 231.251 2.017 50 0 BEAARN NC(=O)[C@@]12[C@H]3c4ccccc4[C@@H]1c1ccccc1[C@H]32 ZINC000247744708 323238965 /nfs/dbraw/zinc/23/89/65/323238965.db2.gz PCMZLPLDCKQBDR-LTBQPASTSA-N 0 0 247.297 2.498 50 0 BEAARN NC(=O)c1ccc2c(c1)[C@H]1[C@H]3[C@@H]2[C@H]3[C@H]2CC[C@H]21 ZINC000247713674 323238954 /nfs/dbraw/zinc/23/89/54/323238954.db2.gz LSSIKEHYDUXQLY-BWHANWTESA-N 0 0 225.291 2.252 50 0 BEAARN Cc1nc(O[C@H](C)C(F)(F)F)ccc1CO ZINC000133950495 323944227 /nfs/dbraw/zinc/94/42/27/323944227.db2.gz BPKAEEYPAOZYCT-SSDOTTSWSA-N 0 0 235.205 2.212 50 0 BEAARN C[C@@H]1c2cccn2CCN1C(=O)c1cccn1C ZINC000069420524 324946778 /nfs/dbraw/zinc/94/67/78/324946778.db2.gz GCBBKZDBUHBOMD-LLVKDONJSA-N 0 0 243.310 2.044 50 0 BEAARN Cc1occc1SCc1nnnn1C(C)C ZINC000131302157 325135849 /nfs/dbraw/zinc/13/58/49/325135849.db2.gz NPNGPHBMRIONTJ-UHFFFAOYSA-N 0 0 238.316 2.448 50 0 BEAARN Cc1nnc(CSc2ccoc2C)n1C ZINC000131431916 325151170 /nfs/dbraw/zinc/15/11/70/325151170.db2.gz OJSUSDQJXYMMRZ-UHFFFAOYSA-N 0 0 223.301 2.317 50 0 BEAARN Cn1ncc(Cl)c1/C=C\c1ccncn1 ZINC000548030658 325421908 /nfs/dbraw/zinc/42/19/08/325421908.db2.gz UIIMFXWSDQAWKX-IHWYPQMZSA-N 0 0 220.663 2.034 50 0 BEAARN C[C@@H]1[C@H](C)OCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000248172582 325601906 /nfs/dbraw/zinc/60/19/06/325601906.db2.gz VAVJSIDGKKVKSK-FHUSYTEZSA-N 0 0 237.343 2.058 50 0 BEAARN CCc1[nH]nc(N[C@H](C)CCn2cccn2)c1C ZINC000159302802 326395486 /nfs/dbraw/zinc/39/54/86/326395486.db2.gz XXGRMEKQOKZHNS-SNVBAGLBSA-N 0 0 247.346 2.368 50 0 BEAARN O=C(c1cc2ccccc2oc1=O)N1CCCC1 ZINC000000068315 488043341 /nfs/dbraw/zinc/04/33/41/488043341.db2.gz RPGFNKRNXYKRNZ-UHFFFAOYSA-N 0 0 243.262 2.029 50 0 BEAARN CC[C@@H](C)[C@@H](CO)Nc1ncccc1F ZINC000084487536 488053813 /nfs/dbraw/zinc/05/38/13/488053813.db2.gz CXGLKRWJIIHZHE-PSASIEDQSA-N 0 0 212.268 2.040 50 0 BEAARN CC(C)=CC(=O)N[C@@H](C)COCC(C)C ZINC000084544399 488058139 /nfs/dbraw/zinc/05/81/39/488058139.db2.gz APUJJYSDBJQWRY-NSHDSACASA-N 0 0 213.321 2.130 50 0 BEAARN CC[C@@H](C)C(=O)NCC(=O)O[C@@H](C)CC(C)C ZINC000084721268 488084393 /nfs/dbraw/zinc/08/43/93/488084393.db2.gz GDODYPIUPOBQBO-MNOVXSKESA-N 0 0 243.347 2.127 50 0 BEAARN CCC[C@H]1CCCC[C@H]1NC(=O)COCC ZINC000084740622 488089503 /nfs/dbraw/zinc/08/95/03/488089503.db2.gz ISYWTVBTJQEQGZ-NWDGAFQWSA-N 0 0 227.348 2.498 50 0 BEAARN CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC000670439121 487488828 /nfs/dbraw/zinc/48/88/28/487488828.db2.gz KTOXTMUCBRVOTA-GDNZZTSVSA-N 0 0 249.310 2.370 50 0 BEAARN Cc1cnc(CN(C)Cc2ccnc(C)c2)cn1 ZINC000670456616 487510916 /nfs/dbraw/zinc/51/09/16/487510916.db2.gz TXQSPSBEXXCZPW-UHFFFAOYSA-N 0 0 242.326 2.120 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCc1cncn1C1CC1 ZINC000670464660 487516995 /nfs/dbraw/zinc/51/69/95/487516995.db2.gz WBHQVBVRYQUMKI-LLVKDONJSA-N 0 0 245.326 2.191 50 0 BEAARN CCCOC[C@H]1CCN(c2nc(C)cc(C)n2)C1 ZINC000670465089 487518540 /nfs/dbraw/zinc/51/85/40/487518540.db2.gz LFGYQKZXOBSHRE-ZDUSSCGKSA-N 0 0 249.358 2.346 50 0 BEAARN COc1ccc(C(C)=O)cc1COC(=O)C1CC1 ZINC000083815654 487938067 /nfs/dbraw/zinc/93/80/67/487938067.db2.gz QRRUFTFJZPTIFE-UHFFFAOYSA-N 0 0 248.278 2.351 50 0 BEAARN COC(=O)c1ccc(CNc2ccc(C)cn2)o1 ZINC000078261073 488203880 /nfs/dbraw/zinc/20/38/80/488203880.db2.gz KQMRKOVTZHPJKC-UHFFFAOYSA-N 0 0 246.266 2.382 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)CCOc1ccccc1 ZINC000078536741 488212037 /nfs/dbraw/zinc/21/20/37/488212037.db2.gz ABSMQPPSBRUITQ-WCQYABFASA-N 0 0 233.311 2.180 50 0 BEAARN C[C@@H]1OCC[C@@H]1Sc1ccc2nccnc2n1 ZINC000097021250 490301953 /nfs/dbraw/zinc/30/19/53/490301953.db2.gz AGQPHFRTFSHPNK-WPRPVWTQSA-N 0 0 247.323 2.294 50 0 BEAARN O=C1OCCN1CCSc1cccs1 ZINC000096409141 490313963 /nfs/dbraw/zinc/31/39/63/490313963.db2.gz BVEBWLTVWVBJNA-UHFFFAOYSA-N 0 0 229.326 2.292 50 0 BEAARN c1cc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000034623286 491077920 /nfs/dbraw/zinc/07/79/20/491077920.db2.gz HVUNVAQCFZYESC-UHFFFAOYSA-N 0 0 216.284 2.000 50 0 BEAARN CCCCNC(=O)c1sc(NC)nc1C ZINC000049664385 491084368 /nfs/dbraw/zinc/08/43/68/491084368.db2.gz FQTWPQYGAXTJFQ-UHFFFAOYSA-N 0 0 227.333 2.023 50 0 BEAARN CC(C)c1cc(N2CC[C@H](F)C2)n2nccc2n1 ZINC000072127151 491122341 /nfs/dbraw/zinc/12/23/41/491122341.db2.gz NNFZABHJKHBWDH-JTQLQIEISA-N 0 0 248.305 2.401 50 0 BEAARN CC[C@H](NS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000072140014 491122442 /nfs/dbraw/zinc/12/24/42/491122442.db2.gz NYVZRKMDVUIODG-LBPRGKRZSA-N 0 0 241.356 2.304 50 0 BEAARN CCc1cc(NC(=O)Cc2cc[nH]n2)ccc1C ZINC000097047604 491124011 /nfs/dbraw/zinc/12/40/11/491124011.db2.gz CFGBKOPZIDJWBT-UHFFFAOYSA-N 0 0 243.310 2.462 50 0 BEAARN CCCCNC(=O)NCCc1cccc(O)c1 ZINC000058166895 520640404 /nfs/dbraw/zinc/64/04/04/520640404.db2.gz XPGCUINNJXDEKY-UHFFFAOYSA-N 0 0 236.315 2.034 50 0 BEAARN O=C([O-])[C@H]1[NH2+]CCC[C@@H]1C1CCCCC1 ZINC000139549204 582539978 /nfs/dbraw/zinc/53/99/78/582539978.db2.gz GLJDBGLMCFJXLJ-MNOVXSKESA-N 0 0 211.305 2.020 50 0 BEAARN CC(C)C[C@H](C(=O)Nc1ncc[nH]1)n1cccc1 ZINC000253414769 519291971 /nfs/dbraw/zinc/29/19/71/519291971.db2.gz YNVJMSMKSRGZFU-LLVKDONJSA-N 0 0 246.314 2.437 50 0 BEAARN CC(C)CCC(=O)OCc1nncn1C1CC1 ZINC000089492250 519637115 /nfs/dbraw/zinc/63/71/15/519637115.db2.gz ZCZOVRUBMCYUSN-UHFFFAOYSA-N 0 0 237.303 2.092 50 0 BEAARN CC(C)c1nccc(NCCCn2ccnc2)n1 ZINC000091424862 519878721 /nfs/dbraw/zinc/87/87/21/519878721.db2.gz DOLWBQMYFXYWJW-UHFFFAOYSA-N 0 0 245.330 2.299 50 0 BEAARN CCCS(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000250285761 520533506 /nfs/dbraw/zinc/53/35/06/520533506.db2.gz ZODXDINLKXMRFF-GMTAPVOTSA-N 0 0 233.377 2.141 50 0 BEAARN CCOCCCNC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000390835628 521713380 /nfs/dbraw/zinc/71/33/80/521713380.db2.gz SSZIPQMAOJWDMK-NEPJUHHUSA-N 0 0 242.363 2.291 50 0 BEAARN Cc1ccc(CNC(=O)CCc2ccco2)n1C ZINC000025467324 524499392 /nfs/dbraw/zinc/49/93/92/524499392.db2.gz KYRQZNHNVCVWGS-UHFFFAOYSA-N 0 0 246.310 2.176 50 0 BEAARN C[C@H](CO)CSCc1nnc(C(C)(C)C)o1 ZINC000075148450 524531296 /nfs/dbraw/zinc/53/12/96/524531296.db2.gz VSGBEDGHDFBZCN-MRVPVSSYSA-N 0 0 244.360 2.229 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Oc1cccc(-n2ccnc2)c1 ZINC000071915236 524839306 /nfs/dbraw/zinc/83/93/06/524839306.db2.gz DXBMGLIRXIOWLC-GWCFXTLKSA-N 0 0 242.278 2.434 50 0 BEAARN C[C@](O)(CNc1ccc(F)cn1)c1ccco1 ZINC000253415546 525182333 /nfs/dbraw/zinc/18/23/33/525182333.db2.gz VEQDATGJXJIELD-LBPRGKRZSA-N 0 0 236.246 2.133 50 0 BEAARN Cc1csc(=Nc2ccccc2)n1CCO ZINC000252670745 526304754 /nfs/dbraw/zinc/30/47/54/526304754.db2.gz LOXFKQXUZQDMGR-UHFFFAOYSA-N 0 0 234.324 2.083 50 0 BEAARN O=C(NCCOCc1ccccc1)c1ccco1 ZINC000072117249 526355995 /nfs/dbraw/zinc/35/59/95/526355995.db2.gz CVEJEZCALDCTIA-UHFFFAOYSA-N 0 0 245.278 2.226 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000498050888 526407727 /nfs/dbraw/zinc/40/77/27/526407727.db2.gz LBNUWTQWUYDRNB-JTQLQIEISA-N 0 0 237.303 2.482 50 0 BEAARN Cc1n[nH]c(C)c1CN(C)Cc1ncccc1C ZINC000244795163 526494112 /nfs/dbraw/zinc/49/41/12/526494112.db2.gz RATAEJRTIFPHBW-UHFFFAOYSA-N 0 0 244.342 2.362 50 0 BEAARN CC(=O)N1CCC(c2ccnc(Cl)c2)CC1 ZINC000072343886 526547783 /nfs/dbraw/zinc/54/77/83/526547783.db2.gz GBFBDGJEGSYPKU-UHFFFAOYSA-N 0 0 238.718 2.461 50 0 BEAARN Cc1nc(CN[C@@H](C)[C@@H](C)n2cccn2)oc1C ZINC000069948462 526890073 /nfs/dbraw/zinc/89/00/73/526890073.db2.gz FQOYZOCQOSKBJA-GXSJLCMTSA-N 0 0 248.330 2.227 50 0 BEAARN OCC/C=C\CCCO[C@H]1CCCCO1 ZINC000004973085 527522691 /nfs/dbraw/zinc/52/26/91/527522691.db2.gz ABHBROKWGIRFEX-UDSFMNFJSA-N 0 0 214.305 2.248 50 0 BEAARN O=C(NCCCCc1ccccc1)[C@H]1CCCO1 ZINC000002740713 527655352 /nfs/dbraw/zinc/65/53/52/527655352.db2.gz XGFHDKLOXYRUBE-CQSZACIVSA-N 0 0 247.338 2.305 50 0 BEAARN CC(=O)c1cnc(N2CCC[C@H](C)C2)nc1C ZINC000008731918 534934427 /nfs/dbraw/zinc/93/44/27/534934427.db2.gz FOABNFIARBZDPR-VIFPVBQESA-N 0 0 233.315 2.224 50 0 BEAARN CC(C)n1ccc(Cc2nc(C3CC3)no2)n1 ZINC000095404051 535093554 /nfs/dbraw/zinc/09/35/54/535093554.db2.gz QEYDINAFFZLLSO-UHFFFAOYSA-N 0 0 232.287 2.315 50 0 BEAARN COC[C@]1(C)CCN(c2ncccc2F)C1 ZINC000336193487 536676684 /nfs/dbraw/zinc/67/66/84/536676684.db2.gz RSJYIPBAVKOTJE-GFCCVEGCSA-N 0 0 224.279 2.084 50 0 BEAARN Cc1ccc2[nH]c(-c3ccnn3C)cc(=O)c2c1 ZINC000725257058 538060272 /nfs/dbraw/zinc/06/02/72/538060272.db2.gz GDEKUAYQFLFCLU-UHFFFAOYSA-N 0 0 239.278 2.237 50 0 BEAARN Clc1ccc(OC2CCOCC2)nc1 ZINC000085316400 538116559 /nfs/dbraw/zinc/11/65/59/538116559.db2.gz MEURSBTXFGTEMM-UHFFFAOYSA-N 0 0 213.664 2.293 50 0 BEAARN Cc1nsc(N2CC[C@@H](C)C[C@@H]2C)n1 ZINC000081003607 538116560 /nfs/dbraw/zinc/11/65/60/538116560.db2.gz GQAQDOWIHABMJE-SFYZADRCSA-N 0 0 211.334 2.471 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H](O)CC1(C)C ZINC000084306240 582947986 /nfs/dbraw/zinc/94/79/86/582947986.db2.gz YDWHJXKEBCZNDT-SECBINFHSA-N 0 0 229.320 2.157 50 0 BEAARN CSc1nc(C)cc(-n2nc(C)cc2C)n1 ZINC000888089609 583173671 /nfs/dbraw/zinc/17/36/71/583173671.db2.gz RTDUXNUFTJOXAQ-UHFFFAOYSA-N 0 0 234.328 2.309 50 0 BEAARN C=CC(=O)NC1(c2ccc(F)c(F)c2)CC1 ZINC000888102117 583181988 /nfs/dbraw/zinc/18/19/88/583181988.db2.gz BRERLCGVVUBQFP-UHFFFAOYSA-N 0 0 223.222 2.256 50 0 BEAARN C=CC(=O)N[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000888102352 583182713 /nfs/dbraw/zinc/18/27/13/583182713.db2.gz WXUPSFZUUJSXCK-UKRRQHHQSA-N 0 0 227.307 2.335 50 0 BEAARN Cn1ccnc1C(=O)NCCC1=CCCCC1 ZINC000735925773 584984458 /nfs/dbraw/zinc/98/44/58/584984458.db2.gz QQZRMYNNTKTCLP-UHFFFAOYSA-N 0 0 233.315 2.040 50 0 BEAARN C=CC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000791344687 585978207 /nfs/dbraw/zinc/97/82/07/585978207.db2.gz SOSNVXKQPJBLOY-LLVKDONJSA-N 0 0 217.268 2.203 50 0 BEAARN C=CC(=O)N1CCC(COc2ccccc2)CC1 ZINC000791351259 585978500 /nfs/dbraw/zinc/97/85/00/585978500.db2.gz DTHCRCIYQYLCCB-UHFFFAOYSA-N 0 0 245.322 2.490 50 0 BEAARN COC(=O)/C=C1\CCc2c1cccc2C ZINC000757191601 586435930 /nfs/dbraw/zinc/43/59/30/586435930.db2.gz JOABZPTWDVDARN-CSKARUKUSA-N 0 0 202.253 2.498 50 0 BEAARN C=CC(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000848979693 588423306 /nfs/dbraw/zinc/42/33/06/588423306.db2.gz YJZOYCOTGFHVFV-UHFFFAOYSA-N 0 0 236.340 2.166 50 0 BEAARN CCC1CCN(C(=O)[C@@H](C)c2cnccn2)CC1 ZINC000863948155 589328936 /nfs/dbraw/zinc/32/89/36/589328936.db2.gz MQKPZJXRCCDEGI-NSHDSACASA-N 0 0 247.342 2.229 50 0 BEAARN C=CC(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000863971509 589329131 /nfs/dbraw/zinc/32/91/31/589329131.db2.gz WFBIBONMABLOPY-MRVPVSSYSA-N 0 0 221.231 2.126 50 0 BEAARN C=CC(=O)Nc1cccc2c1ccn2C ZINC000863970416 589329826 /nfs/dbraw/zinc/32/98/26/589329826.db2.gz IVIZUZOOKOGRIQ-UHFFFAOYSA-N 0 0 200.241 2.303 50 0 BEAARN C=CC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000863970600 589329935 /nfs/dbraw/zinc/32/99/35/589329935.db2.gz OADMAVYNNWKPPM-QMMMGPOBSA-N 0 0 203.232 2.114 50 0 BEAARN C=CC(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000863971084 589330216 /nfs/dbraw/zinc/33/02/16/589330216.db2.gz DRXUXIPEWKOBDK-CYBMUJFWSA-N 0 0 216.284 2.225 50 0 BEAARN C=CC(=O)N1CCN(C)c2cc(Cl)ccc21 ZINC000863971111 589330325 /nfs/dbraw/zinc/33/03/25/589330325.db2.gz FPFPJGCOWPIYTK-UHFFFAOYSA-N 0 0 236.702 2.309 50 0 BEAARN C=CC(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000863971564 589330552 /nfs/dbraw/zinc/33/05/52/589330552.db2.gz YUAUSFDCMRXLCJ-NSHDSACASA-N 0 0 248.301 2.049 50 0 BEAARN CC(C)OC1CN(c2ncnc3ccsc32)C1 ZINC000864091884 589343743 /nfs/dbraw/zinc/34/37/43/589343743.db2.gz HXEXUWPQVWFGSN-UHFFFAOYSA-N 0 0 249.339 2.305 50 0 BEAARN c1cn(Cc2ccc(-c3cc[nH]n3)cc2)cn1 ZINC000020212546 590086811 /nfs/dbraw/zinc/08/68/11/590086811.db2.gz XMUZZFSXDCJNBM-UHFFFAOYSA-N 0 0 224.267 2.322 50 0 BEAARN CCCC(=O)N1CCCSC1=S ZINC000215714700 591976209 /nfs/dbraw/zinc/97/62/09/591976209.db2.gz NPDQMZJORYGHCA-UHFFFAOYSA-N 0 0 203.332 2.037 50 0 BEAARN C[N@@H+]1CC[C@@H]2C(=O)Nc3ccccc3S[C@H]2C1 ZINC000003127756 632648477 /nfs/dbraw/zinc/64/84/77/632648477.db2.gz RDIZZBMJMMNIAA-CABZTGNLSA-N 0 0 248.351 2.051 50 0 BEAARN Cc1cc(C)n2nc(Cc3ccccc3)nc2n1 ZINC000000527988 636055940 /nfs/dbraw/zinc/05/59/40/636055940.db2.gz WGMVLQQGLGNOJE-UHFFFAOYSA-N 0 0 238.294 2.332 50 0 BEAARN C/C=C/CCNC(=O)CC1(O)CCCCC1 ZINC000073726504 633729559 /nfs/dbraw/zinc/72/95/59/633729559.db2.gz REWGOIQTCAXDQQ-NSCUHMNNSA-N 0 0 225.332 2.154 50 0 BEAARN C=CC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000888093252 635364956 /nfs/dbraw/zinc/36/49/56/635364956.db2.gz WQTNEJOCLGDWLE-CYBMUJFWSA-N 0 0 215.296 2.264 50 0 BEAARN N=C(NC(=O)/C=C/c1ccco1)c1ccccc1 ZINC000095394525 636864602 /nfs/dbraw/zinc/86/46/02/636864602.db2.gz FUFQYUHSICZCCW-CMDGGOBGSA-N 0 0 240.262 2.435 50 0 BEAARN COc1ccnc(NC(=O)/C=C/c2ccco2)c1 ZINC000095446333 636866808 /nfs/dbraw/zinc/86/68/08/636866808.db2.gz NGLIJHGKATXXGD-SNAWJCMRSA-N 0 0 244.250 2.335 50 0 BEAARN O=C([O-])[C@H]1CCC[C@H](C2CCCCC2)[NH2+]1 ZINC000163959739 640432780 /nfs/dbraw/zinc/43/27/80/640432780.db2.gz BJBYQSKVOHCNGF-GHMZBOCLSA-N 0 0 211.305 2.162 50 0 BEAARN COc1cc(-c2ccc3[nH]ccc3c2)nc(N)n1 ZINC000032519416 641345449 /nfs/dbraw/zinc/34/54/49/641345449.db2.gz ICBLMZVUNOLBNZ-UHFFFAOYSA-N 0 0 240.266 2.216 50 0 BEAARN O=C(Cc1cccnc1)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077423058 641856014 /nfs/dbraw/zinc/85/60/14/641856014.db2.gz HMFZSZOZULUQIN-IHRRRGAJSA-N 0 0 244.338 2.319 50 0 BEAARN COCc1cccc(CNC(=O)c2ccc[nH]2)c1 ZINC000060589802 642477827 /nfs/dbraw/zinc/47/78/27/642477827.db2.gz IAPWIYMBTMJQPU-UHFFFAOYSA-N 0 0 244.294 2.091 50 0 BEAARN CC(=O)OCc1cc(Cl)ccc1O ZINC000000451224 642777791 /nfs/dbraw/zinc/77/77/91/642777791.db2.gz ZOLRKJXYXXJISC-UHFFFAOYSA-N 0 0 200.621 2.109 50 0 BEAARN Cc1cc(C)nc(S[C@H]2CCCC[C@H]2O)n1 ZINC000000470352 642780568 /nfs/dbraw/zinc/78/05/68/642780568.db2.gz DQPQJMNHVCKZCS-MNOVXSKESA-N 0 0 238.356 2.489 50 0 BEAARN CCOc1ccc2[nH]c(N(C)C)nc2c1 ZINC000022170947 643495431 /nfs/dbraw/zinc/49/54/31/643495431.db2.gz GLUQNIGNQUXEJM-UHFFFAOYSA-N 0 0 205.261 2.028 50 0 BEAARN O=C(c1ccccc1)N1CC[C@H](O)[C@@H]2CCC[C@H]21 ZINC000022205499 643538314 /nfs/dbraw/zinc/53/83/14/643538314.db2.gz ABZIFBVBXURRBG-MCIONIFRSA-N 0 0 245.322 2.062 50 0 BEAARN O=CN1c2ccccc2Oc2ccncc21 ZINC000196346303 643627022 /nfs/dbraw/zinc/62/70/22/643627022.db2.gz TZCMEJKTBIEJJZ-UHFFFAOYSA-N 0 0 212.208 2.482 50 0 BEAARN Cc1nc[nH]c1CN(C)[C@@H](C)c1ccncc1 ZINC000952987654 644449276 /nfs/dbraw/zinc/44/92/76/644449276.db2.gz FXZASKDVCSILAI-NSHDSACASA-N 0 0 230.315 2.306 50 0 BEAARN c1ccc(COCc2nnc3n2CCCC3)cc1 ZINC000952992963 644449540 /nfs/dbraw/zinc/44/95/40/644449540.db2.gz UBGKCSJSUGMZIQ-UHFFFAOYSA-N 0 0 243.310 2.331 50 0 BEAARN CC[C@@H](NC(=O)C=C(C)C1CC1)c1ncc[nH]1 ZINC000095945628 644782130 /nfs/dbraw/zinc/78/21/30/644782130.db2.gz AFBLHSUZGGPFAN-TYBABMIJSA-N 0 0 233.315 2.333 50 0 BEAARN CCc1n[nH]c(CC)c1Br ZINC000145364796 712901433 /nfs/dbraw/zinc/90/14/33/712901433.db2.gz OTSLGRMIYOSZPY-UHFFFAOYSA-N 0 0 203.083 2.297 50 0 BEAARN CN1CC[C@@H](n2ccnc2C2CCCCC2)C1=O ZINC000067894009 710993134 /nfs/dbraw/zinc/99/31/34/710993134.db2.gz DKKMKZSWOXCAEC-GFCCVEGCSA-N 0 0 247.342 2.334 50 0 BEAARN Cc1nc2sccc2c(NCC[C@H](C)O)n1 ZINC000055568965 710922353 /nfs/dbraw/zinc/92/23/53/710922353.db2.gz KNJFYWWJMXMLAL-ZETCQYMHSA-N 0 0 237.328 2.183 50 0 BEAARN C[C@H]1CCC[C@H](C)[NH+]1C1CC(C(=O)[O-])C1 ZINC000725377693 711664672 /nfs/dbraw/zinc/66/46/72/711664672.db2.gz XANKEWWUYDOJKG-SAAXCQNUSA-N 0 0 211.305 2.113 50 0 BEAARN Nc1nnc(/C=C/c2ccc3c(c2)OCO3)s1 ZINC000005047588 711741707 /nfs/dbraw/zinc/74/17/07/711741707.db2.gz NYEPGGARNVUFBD-DUXPYHPUSA-N 0 0 247.279 2.019 50 0 BEAARN Cc1ccc(C(N)=S)cc1Br ZINC000083357113 711809802 /nfs/dbraw/zinc/80/98/02/711809802.db2.gz WVSSFWPLIXHUBF-UHFFFAOYSA-N 0 0 230.130 2.392 50 0 BEAARN Cc1ccc(CCN(N)c2ccccc2)cn1 ZINC000034132166 711948361 /nfs/dbraw/zinc/94/83/61/711948361.db2.gz NSMWSECOYVMQFR-UHFFFAOYSA-N 0 0 227.311 2.313 50 0 BEAARN Cc1cc(C)n([C@@H]2CC(=O)CC[C@H]2C)n1 ZINC000725361874 711974290 /nfs/dbraw/zinc/97/42/90/711974290.db2.gz PYPZCFUNCZGBGA-PRHODGIISA-N 0 0 206.289 2.430 50 0 BEAARN C=CC(=O)N1CCC(c2nccs2)CC1 ZINC000710787488 712256260 /nfs/dbraw/zinc/25/62/60/712256260.db2.gz KNUPXYTWHVGRBC-UHFFFAOYSA-N 0 0 222.313 2.035 50 0 BEAARN CC(C)Oc1ccc2c(c1)CCC(=O)N2 ZINC000950733955 712726062 /nfs/dbraw/zinc/72/60/62/712726062.db2.gz VLYFJAVHORIZIM-UHFFFAOYSA-N 0 0 205.257 2.359 50 0 BEAARN CC(C)COc1cc(C(=O)N(C)C)ccc1N ZINC000109539154 1166022685 /nfs/dbraw/zinc/02/26/85/1166022685.db2.gz BKRRPILGSCAUFP-UHFFFAOYSA-N 0 0 236.315 2.005 50 0 BEAARN Cc1cc(C(=O)N2CC2)ccc1Br ZINC000307350431 1166791592 /nfs/dbraw/zinc/79/15/92/1166791592.db2.gz PKWMIEYAFOGOCN-UHFFFAOYSA-N 0 0 240.100 2.213 50 0 BEAARN COc1ccc(Cn2nc(N)cc2C2CC2)cc1 ZINC000584907027 1167022650 /nfs/dbraw/zinc/02/26/50/1167022650.db2.gz SFBSGJBWTSBZDK-UHFFFAOYSA-N 0 0 243.310 2.230 50 0 BEAARN CCOC(=O)c1ccc(-c2cnn(C)c2)cc1 ZINC000196709792 1167789257 /nfs/dbraw/zinc/78/92/57/1167789257.db2.gz YZBDOBJDOBLBGT-UHFFFAOYSA-N 0 0 230.267 2.264 50 0 BEAARN CCCc1nnc(N(C)CCC(C)(C)O)s1 ZINC000823019079 1168444279 /nfs/dbraw/zinc/44/42/79/1168444279.db2.gz RYQVEJOAOMJSRQ-UHFFFAOYSA-N 0 0 243.376 2.088 50 0 BEAARN CC1(C(=O)c2nc(C3OCCO3)cs2)CC1 ZINC000757121405 1168683069 /nfs/dbraw/zinc/68/30/69/1168683069.db2.gz AYXVUFLPGHPYMK-UHFFFAOYSA-N 0 0 239.296 2.171 50 0 BEAARN CCOc1ccc(/C=C\C(=O)OC)cc1OC ZINC000103269271 971157406 /nfs/dbraw/zinc/15/74/06/971157406.db2.gz SFYMFSUPKNCUPC-VURMDHGXSA-N 0 0 236.267 2.280 50 0 BEAARN C=CC(=O)N1CCC[C@@H]1c1ccc(COC)o1 ZINC000585079663 972112010 /nfs/dbraw/zinc/11/20/10/972112010.db2.gz GIBSXAWHLXEBSD-LLVKDONJSA-N 0 0 235.283 2.276 50 0 BEAARN CCCCCOCC(=O)NC1(C)CC=CC1 ZINC000585090879 972133538 /nfs/dbraw/zinc/13/35/38/972133538.db2.gz VTTREZRINYCPSR-UHFFFAOYSA-N 0 0 225.332 2.418 50 0 BEAARN C=CC(=O)N[C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000585124818 972158251 /nfs/dbraw/zinc/15/82/51/972158251.db2.gz UHKQMHKRTYMCGZ-WCQYABFASA-N 0 0 230.311 2.095 50 0 BEAARN CC(C)(C)c1noc(/C=C/c2ncc[nH]2)n1 ZINC000585133416 972170298 /nfs/dbraw/zinc/17/02/98/972170298.db2.gz HOGBPWFDOBPNHF-SNAWJCMRSA-N 0 0 218.260 2.261 50 0 BEAARN Cl/C=C(\Cl)CN1CCC[C@H]1c1nc[nH]n1 ZINC000585133910 972167670 /nfs/dbraw/zinc/16/76/70/972167670.db2.gz ZNSBJUSCICMOGV-NZGHECTNSA-N 0 0 247.129 2.261 50 0 BEAARN c1cncc(-c2nc(-c3ccncc3)no2)c1 ZINC000004819623 960883197 /nfs/dbraw/zinc/88/31/97/960883197.db2.gz XCDXVWKIPZDLBU-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN CC(C)(C)OC(=O)CCc1ccc(CO)cc1 ZINC000200968826 964751173 /nfs/dbraw/zinc/75/11/73/964751173.db2.gz ATAOROQYNOJJAY-UHFFFAOYSA-N 0 0 236.311 2.453 50 0 BEAARN CC[C@H](C)Cc1n[nH]c(-c2ccn(CC)n2)n1 ZINC000822620034 968531360 /nfs/dbraw/zinc/53/13/60/968531360.db2.gz OGYYLEDVUXKNNG-VIFPVBQESA-N 0 0 233.319 2.277 50 0 BEAARN C[C@H](NC(=O)c1cncc(O)c1)C1=CCCCC1 ZINC000828930858 968819156 /nfs/dbraw/zinc/81/91/56/968819156.db2.gz YEIOQZQYTVGEFC-JTQLQIEISA-N 0 0 246.310 2.406 50 0 BEAARN c1cc(O[C@@H]2CCSC2)nc(C2CC2)n1 ZINC000585651535 973919245 /nfs/dbraw/zinc/91/92/45/973919245.db2.gz FDNWZHFAPRCQBG-SECBINFHSA-N 0 0 222.313 2.238 50 0 BEAARN c1ccc2c(c1)CC(Oc1cnccn1)C2 ZINC000585654071 973924614 /nfs/dbraw/zinc/92/46/14/973924614.db2.gz CJRAUCMVTHXZQN-UHFFFAOYSA-N 0 0 212.252 2.023 50 0 BEAARN C[C@H](Oc1ncnc2c1CCC2)C1CC1 ZINC000585652821 973927001 /nfs/dbraw/zinc/92/70/01/973927001.db2.gz XENPREPNALTYSC-QMMMGPOBSA-N 0 0 204.273 2.143 50 0 BEAARN CC[C@@H]1C=CCN1C(=O)CCc1ccncc1 ZINC000952860082 974050519 /nfs/dbraw/zinc/05/05/19/974050519.db2.gz DDGZTTJIDGGHRA-CYBMUJFWSA-N 0 0 230.311 2.191 50 0 BEAARN Cc1nn(C(C)C)cc1CNc1ccncn1 ZINC000952876549 974056254 /nfs/dbraw/zinc/05/62/54/974056254.db2.gz ANUHOUFPHMDDJE-UHFFFAOYSA-N 0 0 231.303 2.175 50 0 BEAARN Cc1cnc(NC(=O)N2CCCC(C)(C)C2)cn1 ZINC000952877332 974056786 /nfs/dbraw/zinc/05/67/86/974056786.db2.gz NTPXFBCDNFNBTE-UHFFFAOYSA-N 0 0 248.330 2.439 50 0 BEAARN C=CC(=O)N1CC(Cc2ccc(C)cc2)C1 ZINC000952884398 974063522 /nfs/dbraw/zinc/06/35/22/974063522.db2.gz BGLMVOLZLXSCDV-UHFFFAOYSA-N 0 0 215.296 2.182 50 0 BEAARN C=C=CCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000952884327 974063981 /nfs/dbraw/zinc/06/39/81/974063981.db2.gz YAHQMJFADSTQHL-KBPBESRZSA-N 0 0 242.322 2.430 50 0 BEAARN OC[C@@]1(c2cccc(F)c2)CC1(F)F ZINC000642885366 986585380 /nfs/dbraw/zinc/58/53/80/986585380.db2.gz FOJUWWACTUCSLE-SECBINFHSA-N 0 0 202.175 2.095 50 0 BEAARN CN(CC[C@H]1CCCCO1)C(=O)C1CC=CC1 ZINC001506399676 988770844 /nfs/dbraw/zinc/77/08/44/988770844.db2.gz PKNPTSQWNKQGMD-CYBMUJFWSA-N 0 0 237.343 2.370 50 0 BEAARN Cc1cc(-c2cc(N(C)C)nc(N)n2)ccc1F ZINC001506402571 988771059 /nfs/dbraw/zinc/77/10/59/988771059.db2.gz IRVNSADXERHGGH-UHFFFAOYSA-N 0 0 246.289 2.239 50 0 BEAARN Cc1cnccc1CN(C)c1noc(C2CC2)n1 ZINC001529118227 990330971 /nfs/dbraw/zinc/33/09/71/990330971.db2.gz HAATUPHEZUFGON-UHFFFAOYSA-N 0 0 244.298 2.287 50 0 BEAARN CCCO[C@H]1CCCN(c2nc(C)cnc2C)C1 ZINC001529141510 990333089 /nfs/dbraw/zinc/33/30/89/990333089.db2.gz KZTOHNCPPWCQSW-ZDUSSCGKSA-N 0 0 249.358 2.489 50 0 BEAARN CCCO[C@@H]1CCCN(c2nc(C)cnc2C)C1 ZINC001529141509 990333315 /nfs/dbraw/zinc/33/33/15/990333315.db2.gz KZTOHNCPPWCQSW-CYBMUJFWSA-N 0 0 249.358 2.489 50 0 BEAARN Cc1cc(C(=O)COC(=O)c2ccco2)c(C)[nH]1 ZINC000022414598 136208541 /nfs/dbraw/zinc/20/85/41/136208541.db2.gz XLUWVYXCJYVVRV-UHFFFAOYSA-N 0 0 247.250 2.264 50 0 BEAARN Cc1cc(C)n(-c2ccc(C(=O)N(C)C)cc2)n1 ZINC000008491361 177919349 /nfs/dbraw/zinc/91/93/49/177919349.db2.gz HTGIVEDWOXFFMW-UHFFFAOYSA-N 0 0 243.310 2.191 50 0 BEAARN Cc1nc(/C=C/C(=O)N2CCCC2)cs1 ZINC000058296038 398136447 /nfs/dbraw/zinc/13/64/47/398136447.db2.gz CJIPSSTWELJHBN-SNAWJCMRSA-N 0 0 222.313 2.087 50 0 BEAARN CC[C@H](C)C(=O)N(CCO)Cc1ccccc1 ZINC000055470301 136210246 /nfs/dbraw/zinc/21/02/46/136210246.db2.gz XNKGXJIQZQDYSW-LBPRGKRZSA-N 0 0 235.327 2.054 50 0 BEAARN Cc1cc(C)nc(Nc2cccc(N)c2)n1 ZINC000011731210 177946777 /nfs/dbraw/zinc/94/67/77/177946777.db2.gz WACOECJORYLSIF-UHFFFAOYSA-N 0 0 214.272 2.419 50 0 BEAARN Cc1cc(C2CCC2)nc(N[C@H]2CCOC2)n1 ZINC000071754684 177950235 /nfs/dbraw/zinc/95/02/35/177950235.db2.gz UPDAEBYJEHNVHR-NSHDSACASA-N 0 0 233.315 2.253 50 0 BEAARN Cc1cc(CN(C)C(=O)C[C@@H]2C=CCC2)no1 ZINC000047665377 177967089 /nfs/dbraw/zinc/96/70/89/177967089.db2.gz YOSUZNYNMDHULQ-LLVKDONJSA-N 0 0 234.299 2.298 50 0 BEAARN Cc1cc(CN(C)C(=O)c2ccoc2C)no1 ZINC000040087873 177970328 /nfs/dbraw/zinc/97/03/28/177970328.db2.gz NPHVROFHBMIORJ-UHFFFAOYSA-N 0 0 234.255 2.157 50 0 BEAARN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc[nH]1 ZINC000063108180 349506003 /nfs/dbraw/zinc/50/60/03/349506003.db2.gz VBZGPUQHIIQSRV-AAEUAGOBSA-N 0 0 226.279 2.301 50 0 BEAARN Cc1cccc(NS(=O)(=O)CCCF)c1 ZINC000072307274 343979630 /nfs/dbraw/zinc/97/96/30/343979630.db2.gz YTCVRZZVQFJALG-UHFFFAOYSA-N 0 0 231.292 2.096 50 0 BEAARN CCC(CC)C(=O)N(C)Cc1ccnn1CC ZINC000028219321 168332905 /nfs/dbraw/zinc/33/29/05/168332905.db2.gz DTHJBZNCRPCVCW-UHFFFAOYSA-N 0 0 237.347 2.298 50 0 BEAARN CCc1ccc(-c2cc(C=O)n[nH]2)cc1 ZINC000006493556 398171130 /nfs/dbraw/zinc/17/11/30/398171130.db2.gz DMKIWHYIYHMJJF-UHFFFAOYSA-N 0 0 200.241 2.452 50 0 BEAARN Cc1cc(COC(=O)c2ccc(O)cc2)on1 ZINC000008524181 178047181 /nfs/dbraw/zinc/04/71/81/178047181.db2.gz ZTCXMEIIFWHMAI-UHFFFAOYSA-N 0 0 233.223 2.046 50 0 BEAARN Cc1cc(CS[C@H]2CCO[C@H]2C)no1 ZINC000095974156 178053301 /nfs/dbraw/zinc/05/33/01/178053301.db2.gz PUQZKTBAOXMEBJ-WPRPVWTQSA-N 0 0 213.302 2.394 50 0 BEAARN Cc1cc(C[C@@H](C)Nc2nc(C)cc(C)n2)n[nH]1 ZINC000065370273 178055101 /nfs/dbraw/zinc/05/51/01/178055101.db2.gz LRZBEZTZQDLJAJ-SNVBAGLBSA-N 0 0 245.330 2.168 50 0 BEAARN Cc1cc(Cl)nc([C@H]2CCCN(C)C2)n1 ZINC000072343833 178072560 /nfs/dbraw/zinc/07/25/60/178072560.db2.gz GERJVYMNXZRQFV-VIFPVBQESA-N 0 0 225.723 2.248 50 0 BEAARN Cc1cc(F)cc(NCc2ncc[nH]2)c1 ZINC000085729504 178079092 /nfs/dbraw/zinc/07/90/92/178079092.db2.gz RACUBWYKQGGKPN-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN CCC(CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000016602808 168339949 /nfs/dbraw/zinc/33/99/49/168339949.db2.gz BQIOQFSXHSKDHT-MWLCHTKSSA-N 0 0 213.321 2.106 50 0 BEAARN Cc1cc(F)ccc1NC(=O)c1cnccn1 ZINC000001053948 178089348 /nfs/dbraw/zinc/08/93/48/178089348.db2.gz LMTUWFSKHGVOQE-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN Cc1cc(F)ccc1NC(=O)[C@H]1CCCO1 ZINC000001052026 178089585 /nfs/dbraw/zinc/08/95/85/178089585.db2.gz COCMGWXMPOATMA-LLVKDONJSA-N 0 0 223.247 2.252 50 0 BEAARN Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)s1 ZINC000045445920 398192656 /nfs/dbraw/zinc/19/26/56/398192656.db2.gz SPAMNDUEOYVIAW-BDAKNGLRSA-N 0 0 239.340 2.306 50 0 BEAARN CNc1nccc(-c2sc(C)nc2C)n1 ZINC000013559857 398194875 /nfs/dbraw/zinc/19/48/75/398194875.db2.gz RPXWUUDZINQPTJ-UHFFFAOYSA-N 0 0 220.301 2.259 50 0 BEAARN Cc1cc(NC(=O)CN(C)c2ccccc2)no1 ZINC000007589253 178129862 /nfs/dbraw/zinc/12/98/62/178129862.db2.gz YNCUTIYVPCIWRC-UHFFFAOYSA-N 0 0 245.282 2.058 50 0 BEAARN CCC(CC)C(=O)Nc1ccn(CC)n1 ZINC000027930109 168341441 /nfs/dbraw/zinc/34/14/41/168341441.db2.gz PXBNERQLNWPOIG-UHFFFAOYSA-N 0 0 209.293 2.278 50 0 BEAARN Cc1cc(NC(=O)Cc2ccccc2F)n(C)n1 ZINC000040072579 178134800 /nfs/dbraw/zinc/13/48/00/178134800.db2.gz KZPJMFOTPJUUMZ-UHFFFAOYSA-N 0 0 247.273 2.049 50 0 BEAARN CCOc1cc(O)cc(Cl)c1OC ZINC000261494394 398208348 /nfs/dbraw/zinc/20/83/48/398208348.db2.gz WKVDLLOWKAXJGO-UHFFFAOYSA-N 0 0 202.637 2.453 50 0 BEAARN Cc1cc(NC(=O)Nc2ccon2)ccc1O ZINC000190189339 178142809 /nfs/dbraw/zinc/14/28/09/178142809.db2.gz FCXZXVCFHLKBQL-UHFFFAOYSA-N 0 0 233.227 2.333 50 0 BEAARN Cc1cc(NC(=O)c2ccccc2F)n[nH]1 ZINC000042653302 178151511 /nfs/dbraw/zinc/15/15/11/178151511.db2.gz YRVADUWUUMGSKN-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN Cc1cc(NCc2ccco2)nc(C)n1 ZINC000037498653 178174187 /nfs/dbraw/zinc/17/41/87/178174187.db2.gz UBMSHQGHJLLIOB-UHFFFAOYSA-N 0 0 203.245 2.299 50 0 BEAARN Cc1cc(NN)c2cc(Cl)ccc2n1 ZINC000013214723 178176534 /nfs/dbraw/zinc/17/65/34/178176534.db2.gz TUDJVUZNZCVPTG-UHFFFAOYSA-N 0 0 207.664 2.482 50 0 BEAARN COc1ccc2c(c1)C1=C(CO2)NCCC1 ZINC000526059849 361738117 /nfs/dbraw/zinc/73/81/17/361738117.db2.gz WRJDMZVNRVNWBT-UHFFFAOYSA-N 0 0 217.268 2.182 50 0 BEAARN COc1cccc(C(=O)CSC)c1OC ZINC000069984485 259302367 /nfs/dbraw/zinc/30/23/67/259302367.db2.gz MDHCZWZBQLDDPH-UHFFFAOYSA-N 0 0 226.297 2.250 50 0 BEAARN Cc1cc(O)c2c(C)c(C)c(=O)oc2c1 ZINC000005612108 178196649 /nfs/dbraw/zinc/19/66/49/178196649.db2.gz HMTPJAGDJGBKEB-UHFFFAOYSA-N 0 0 204.225 2.424 50 0 BEAARN Cc1cc(=O)n2nc(-c3ccco3)cc2[nH]1 ZINC000104099045 178201086 /nfs/dbraw/zinc/20/10/86/178201086.db2.gz RSRPLRSMORDBLO-UHFFFAOYSA-N 0 0 215.212 2.003 50 0 BEAARN Cc1cc(OCCO)c2cccc(C)c2n1 ZINC000053994801 178210645 /nfs/dbraw/zinc/21/06/45/178210645.db2.gz BVAUVOORCWCNOW-UHFFFAOYSA-N 0 0 217.268 2.223 50 0 BEAARN O=C(OCc1nncn1C1CC1)C1=CCCCC1 ZINC000170602967 361788291 /nfs/dbraw/zinc/78/82/91/361788291.db2.gz NNMJWXWSBZUVFV-UHFFFAOYSA-N 0 0 247.298 2.157 50 0 BEAARN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1ncnn1C ZINC000170604361 361792002 /nfs/dbraw/zinc/79/20/02/361792002.db2.gz SPZXMWMJAUGDFB-OLZOCXBDSA-N 0 0 248.374 2.239 50 0 BEAARN Cc1cc2c(cc1F)ncn(CCCF)c2=O ZINC000170594133 178276692 /nfs/dbraw/zinc/27/66/92/178276692.db2.gz RXRRWIAINGNWMZ-UHFFFAOYSA-N 0 0 238.237 2.204 50 0 BEAARN Cc1cc2c(cc1C)n(N)c(=S)n2C ZINC000000348755 178288043 /nfs/dbraw/zinc/28/80/43/178288043.db2.gz OQEXEMDQJBVCSQ-UHFFFAOYSA-N 0 0 207.302 2.040 50 0 BEAARN Cc1cc2nn(-c3ccccc3)nc2cc1N ZINC000000156788 178305397 /nfs/dbraw/zinc/30/53/97/178305397.db2.gz ITGZELOHCKIVPL-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN Cc1cc2nc3nc(N)sc3nc2cc1C ZINC000005016895 178304165 /nfs/dbraw/zinc/30/41/65/178304165.db2.gz JYQXGKDLNLXZKX-UHFFFAOYSA-N 0 0 230.296 2.439 50 0 BEAARN Cc1ccc(-c2cc3[nH]c(C)cc(=O)n3n2)cc1 ZINC000009058684 178321456 /nfs/dbraw/zinc/32/14/56/178321456.db2.gz UQIAHXHKDZMWHA-UHFFFAOYSA-N 0 0 239.278 2.306 50 0 BEAARN Cc1ccc(-c2cc3c(=O)n(C)ccn3n2)cc1 ZINC000098212934 178322142 /nfs/dbraw/zinc/32/21/42/178322142.db2.gz QOJJUHOKPFBKHI-UHFFFAOYSA-N 0 0 239.278 2.008 50 0 BEAARN Cc1ccc(-c2nc3[nH]c(C)cc(=O)n3n2)cc1 ZINC000018219894 178337887 /nfs/dbraw/zinc/33/78/87/178337887.db2.gz CQCHNZMNEYXXAL-UHFFFAOYSA-N 0 0 240.266 2.114 50 0 BEAARN Cc1ccc(-c2nn3cnnc3s2)cc1 ZINC000004858045 178339919 /nfs/dbraw/zinc/33/99/19/178339919.db2.gz ACJSRIYQDNUFBA-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1ccc(-c2nnc(N)s2)cc1C ZINC000000184297 178341364 /nfs/dbraw/zinc/34/13/64/178341364.db2.gz KCCCKMHLWSVWSA-UHFFFAOYSA-N 0 0 205.286 2.404 50 0 BEAARN Cc1ccc(-c2nc(NC(=O)C3CC3)n[nH]2)cc1 ZINC000012921808 178332133 /nfs/dbraw/zinc/33/21/33/178332133.db2.gz DXFBYDZUUIOOEA-UHFFFAOYSA-N 0 0 242.282 2.129 50 0 BEAARN Cc1ccc(-n2nnnc2-c2ccco2)cc1 ZINC000000411414 178350451 /nfs/dbraw/zinc/35/04/51/178350451.db2.gz XGCWGIDYIZEQBL-UHFFFAOYSA-N 0 0 226.239 2.231 50 0 BEAARN Cc1ccc(/C=C/C(=O)N[C@H](C)[C@H]2CCCO2)o1 ZINC000027852448 178354495 /nfs/dbraw/zinc/35/44/95/178354495.db2.gz PGNUEFAODSLBII-KPYDUXRZSA-N 0 0 249.310 2.285 50 0 BEAARN Cc1ccc(C(=O)Cc2ncc[nH]2)cc1 ZINC000034083828 178374617 /nfs/dbraw/zinc/37/46/17/178374617.db2.gz XFGFWLYWGWKWII-UHFFFAOYSA-N 0 0 200.241 2.144 50 0 BEAARN Cc1ccc(C(=O)N(C)C2CCCC2)cn1 ZINC000032901618 178374749 /nfs/dbraw/zinc/37/47/49/178374749.db2.gz ALMHHKMGJZHKNM-UHFFFAOYSA-N 0 0 218.300 2.405 50 0 BEAARN CC(C)C[C@H](C)N(C)C(=O)n1ccnc1 ZINC000032779629 538950843 /nfs/dbraw/zinc/95/08/43/538950843.db2.gz LJCSTQABPABLJD-JTQLQIEISA-N 0 0 209.293 2.218 50 0 BEAARN Cc1ccc(C(=O)N(C)CC2CCOCC2)cc1 ZINC000074915273 178376173 /nfs/dbraw/zinc/37/61/73/178376173.db2.gz UETVINLXRDRLFJ-UHFFFAOYSA-N 0 0 247.338 2.494 50 0 BEAARN Cc1ccc(C(=O)N(C)Cc2cccnc2)cn1 ZINC000055276484 178378663 /nfs/dbraw/zinc/37/86/63/178378663.db2.gz XRBYPKJEWIJVAP-UHFFFAOYSA-N 0 0 241.294 2.057 50 0 BEAARN Cc1ccc(C(=O)N(C)Cc2nccn2C)cc1 ZINC000032748128 178379241 /nfs/dbraw/zinc/37/92/41/178379241.db2.gz KZXFPKUSXCYACE-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN C[C@]1(c2ccncc2)Nc2ccccc2C(=O)N1 ZINC000032666119 538950230 /nfs/dbraw/zinc/95/02/30/538950230.db2.gz LMMCMMIOPGEWKR-AWEZNQCLSA-N 0 0 239.278 2.110 50 0 BEAARN O=C(Nc1ccnn1C1CCCC1)[C@@H]1CCCO1 ZINC000032739313 538950329 /nfs/dbraw/zinc/95/03/29/538950329.db2.gz CDKWEUZIBORXAU-NSHDSACASA-N 0 0 249.314 2.116 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)o1 ZINC000253422907 178390554 /nfs/dbraw/zinc/39/05/54/178390554.db2.gz IHGLBNVHCYSSJF-JTQLQIEISA-N 0 0 245.282 2.288 50 0 BEAARN Cc1ccc(C(=O)NCc2cccnc2)cc1F ZINC000012536752 178416417 /nfs/dbraw/zinc/41/64/17/178416417.db2.gz XHHZGNWVZDRHRJ-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN O=C1CS[C@@H](c2cccnc2)N1CC1CC1 ZINC000000100834 342674280 /nfs/dbraw/zinc/67/42/80/342674280.db2.gz FMSFLRXNZIRXFQ-LBPRGKRZSA-N 0 0 234.324 2.066 50 0 BEAARN Cc1cc(C)n2nc(-c3ccccc3)nc2n1 ZINC000000124386 342675659 /nfs/dbraw/zinc/67/56/59/342675659.db2.gz VTJALUNHFVAURK-UHFFFAOYSA-N 0 0 224.267 2.408 50 0 BEAARN Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000122918 342675718 /nfs/dbraw/zinc/67/57/18/342675718.db2.gz HKWQPWPKROMXCJ-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN O=c1oc2cc(O)ccc2c2c1CCCC2 ZINC000000123014 342675757 /nfs/dbraw/zinc/67/57/57/342675757.db2.gz OCRPPMHVRQIWOS-UHFFFAOYSA-N 0 0 216.236 2.377 50 0 biogenic BEAARN COC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000000133461 342676263 /nfs/dbraw/zinc/67/62/63/342676263.db2.gz UDWQWRFEUXUBHR-UHFFFAOYSA-N 0 0 231.251 2.366 50 0 BEAARN COC(=O)c1oc2ccc(Cl)cc2c1N ZINC000000140377 342676703 /nfs/dbraw/zinc/67/67/03/342676703.db2.gz XYNXXUPOYQPUJY-UHFFFAOYSA-N 0 0 225.631 2.455 50 0 BEAARN CC(=O)c1cnn(-c2ccccc2)c1C ZINC000000141290 342676796 /nfs/dbraw/zinc/67/67/96/342676796.db2.gz FZEDJUVQMGBVRC-UHFFFAOYSA-N 0 0 200.241 2.383 50 0 BEAARN CCc1ccnc(NC(=O)c2snnc2C)c1 ZINC000000151173 342677293 /nfs/dbraw/zinc/67/72/93/342677293.db2.gz SNZVPBVXZDQBCK-UHFFFAOYSA-N 0 0 248.311 2.056 50 0 BEAARN CN(N)c1ncc(C(F)(F)F)cc1Cl ZINC000000153506 342677451 /nfs/dbraw/zinc/67/74/51/342677451.db2.gz YGPUMJSRBNTPNO-UHFFFAOYSA-N 0 0 225.601 2.064 50 0 BEAARN Nc1ccc(C(=O)c2ccccc2)cc1N ZINC000000155201 342677663 /nfs/dbraw/zinc/67/76/63/342677663.db2.gz RXCOGDYOZQGGMK-UHFFFAOYSA-N 0 0 212.252 2.082 50 0 BEAARN Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000155042 342677722 /nfs/dbraw/zinc/67/77/22/342677722.db2.gz ITFJBVWVZSRNHZ-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN Nc1c(F)cc(Br)cc1F ZINC000000159313 342677886 /nfs/dbraw/zinc/67/78/86/342677886.db2.gz BFQSQUAVMNHOEF-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Cn1cc(C(=O)c2ccc(F)cc2)cc1C=O ZINC000000166256 342678686 /nfs/dbraw/zinc/67/86/86/342678686.db2.gz GNMRXQTZWYXHMO-UHFFFAOYSA-N 0 0 231.226 2.208 50 0 BEAARN Nc1nccc(-c2ccc(Cl)s2)n1 ZINC000000168114 342679011 /nfs/dbraw/zinc/67/90/11/342679011.db2.gz MBRAZDYXAMJHDO-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN COc1cc(-c2csc(N)n2)ccc1O ZINC000000174675 342679212 /nfs/dbraw/zinc/67/92/12/342679212.db2.gz PMICHXCAAVTBQY-UHFFFAOYSA-N 0 0 222.269 2.107 50 0 BEAARN Cc1cc(C)n(C[C@H](O)c2ccccc2)n1 ZINC000000185776 342679359 /nfs/dbraw/zinc/67/93/59/342679359.db2.gz PXDHUDZWMXKFGB-ZDUSSCGKSA-N 0 0 216.284 2.234 50 0 BEAARN Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21 ZINC000000200644 342680139 /nfs/dbraw/zinc/68/01/39/342680139.db2.gz HAPHCEKDYPUAIT-UHFFFAOYSA-N 0 0 245.326 2.236 50 0 BEAARN Nc1cccc(N)c1NC(=O)c1ccccc1 ZINC000000225965 342680584 /nfs/dbraw/zinc/68/05/84/342680584.db2.gz AMPPZIUMTICOSY-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN Cn1ccnc1SCC(=O)c1ccc(O)cc1 ZINC000000503881 342689186 /nfs/dbraw/zinc/68/91/86/342689186.db2.gz HHWWUFXETNRHKI-UHFFFAOYSA-N 0 0 248.307 2.101 50 0 BEAARN CCN(CC)C(=O)c1ccc2nc(N)sc2c1 ZINC000000246902 342681228 /nfs/dbraw/zinc/68/12/28/342681228.db2.gz XMXLVNVGGJBUPF-UHFFFAOYSA-N 0 0 249.339 2.361 50 0 BEAARN CSc1sc(SC)c(CO)c1C=O ZINC000000270948 342681852 /nfs/dbraw/zinc/68/18/52/342681852.db2.gz QNJZISJLWABAIC-UHFFFAOYSA-N 0 0 234.367 2.497 50 0 biogenic BEAARN CCOc1ccc(-c2nnc(N)s2)cc1 ZINC000000294196 342682270 /nfs/dbraw/zinc/68/22/70/342682270.db2.gz IJWTVHRMEPWMSL-UHFFFAOYSA-N 0 0 221.285 2.186 50 0 BEAARN Cc1cc(C=O)c(C)n1-c1cccnc1 ZINC000000305762 342682895 /nfs/dbraw/zinc/68/28/95/342682895.db2.gz PELMABXCQSKCNO-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Clc1nsnc1N1CCCCC1 ZINC000000319950 342683320 /nfs/dbraw/zinc/68/33/20/342683320.db2.gz UCQNXWQHJHOKRH-UHFFFAOYSA-N 0 0 203.698 2.182 50 0 BEAARN Cc1ccc(OCC(=O)Nc2cccnc2)cc1 ZINC000000327282 342683342 /nfs/dbraw/zinc/68/33/42/342683342.db2.gz GZTSGRURUXQYGX-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN CCN1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000000318355 342683379 /nfs/dbraw/zinc/68/33/79/342683379.db2.gz ARBWTUWVRPAEFC-UHFFFAOYSA-N 0 0 246.354 2.081 50 0 BEAARN CCOC(=O)[C@@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000000332670 342683551 /nfs/dbraw/zinc/68/35/51/342683551.db2.gz LNIFCHLLDTWCIH-VXGBXAGGSA-N 0 0 220.268 2.362 50 0 BEAARN CSc1nc2sc3c(c2c(N)n1)CCC3 ZINC000000346432 342684474 /nfs/dbraw/zinc/68/44/74/342684474.db2.gz WDDBZCKBRCTSOZ-UHFFFAOYSA-N 0 0 237.353 2.484 50 0 BEAARN CCOc1ccc2c(c1)sc(=N)n2C ZINC000000369938 342685143 /nfs/dbraw/zinc/68/51/43/342685143.db2.gz ARNQIVIKMIRRBV-UHFFFAOYSA-N 0 0 208.286 2.118 50 0 BEAARN O=C1CNC(=S)N1c1cccc2ccccc21 ZINC000000374206 342685421 /nfs/dbraw/zinc/68/54/21/342685421.db2.gz KGSGCXMWBVAYPH-UHFFFAOYSA-N 0 0 242.303 2.061 50 0 BEAARN CCOc1ccccc1-n1c(C)cc(C)nc1=O ZINC000000383241 342685643 /nfs/dbraw/zinc/68/56/43/342685643.db2.gz NCHCALSDSRZTKG-UHFFFAOYSA-N 0 0 244.294 2.248 50 0 BEAARN Nc1ccc(O)c(-c2nc3ncccc3o2)c1 ZINC000000529855 342689440 /nfs/dbraw/zinc/68/94/40/342689440.db2.gz UKOOZFNJFQWFMK-UHFFFAOYSA-N 0 0 227.223 2.178 50 0 BEAARN Cc1ccc(CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000000464419 342687906 /nfs/dbraw/zinc/68/79/06/342687906.db2.gz UCOPVZIZENWXOX-CHWSQXEVSA-N 0 0 247.338 2.173 50 0 BEAARN COC(=O)Nc1cccc(NC(=O)OC)c1 ZINC000000476364 342688214 /nfs/dbraw/zinc/68/82/14/342688214.db2.gz BQFREXSKWBUSAP-UHFFFAOYSA-N 0 0 224.216 2.043 50 0 BEAARN Nc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000000035800 342670635 /nfs/dbraw/zinc/67/06/35/342670635.db2.gz OAJOEZGYYINOJB-UHFFFAOYSA-N 0 0 238.246 2.069 50 0 BEAARN [NH3+]Cc1oc(-c2ccccc2)cc1C(=O)[O-] ZINC000000056361 342671937 /nfs/dbraw/zinc/67/19/37/342671937.db2.gz WSCPCRGXYRNSAW-UHFFFAOYSA-N 0 0 217.224 2.104 50 0 BEAARN CCc1cc(=O)oc2c1ccc(OC)c2OC ZINC000000615053 342690952 /nfs/dbraw/zinc/69/09/52/342690952.db2.gz OBBIUPCXAYRYEW-UHFFFAOYSA-N 0 0 234.251 2.373 50 0 BEAARN Cc1cnn(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000000611515 342691054 /nfs/dbraw/zinc/69/10/54/342691054.db2.gz LGVPEACSGHKJEH-UHFFFAOYSA-N 0 0 245.238 2.000 50 0 BEAARN Cc1sc2ncnc(N(C)C)c2c1C ZINC000000784866 342692808 /nfs/dbraw/zinc/69/28/08/342692808.db2.gz YFDMPSHJDVETSL-UHFFFAOYSA-N 0 0 207.302 2.374 50 0 BEAARN Cc1ccc(N)cc1NC(=O)c1ccco1 ZINC000000873960 342694222 /nfs/dbraw/zinc/69/42/22/342694222.db2.gz ICKANMWZUHUKRF-UHFFFAOYSA-N 0 0 216.240 2.423 50 0 BEAARN Cc1cc(C)cc(OCC(=O)N2CCCC2)c1 ZINC000000904129 342694300 /nfs/dbraw/zinc/69/43/00/342694300.db2.gz QSUWWXKGIFTSAT-UHFFFAOYSA-N 0 0 233.311 2.305 50 0 BEAARN Clc1ccc(CNc2nc[nH]n2)cc1 ZINC000000996069 342695485 /nfs/dbraw/zinc/69/54/85/342695485.db2.gz RVYUWNSCYQGGCL-UHFFFAOYSA-N 0 0 208.652 2.070 50 0 BEAARN CC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000001009004 342695938 /nfs/dbraw/zinc/69/59/38/342695938.db2.gz XPLIDDGPWBSSCO-UHFFFAOYSA-N 0 0 210.180 2.120 50 0 BEAARN CCOc1ccc(C(=O)N2CCCC2)cc1OC ZINC000001051384 342696179 /nfs/dbraw/zinc/69/61/79/342696179.db2.gz SRYKTVUIWJETBF-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN COC(=O)N=c1[nH]c2ccc(OC)cc2s1 ZINC000001054141 342696568 /nfs/dbraw/zinc/69/65/68/342696568.db2.gz QHLUKNWQUBKLDF-UHFFFAOYSA-N 0 0 238.268 2.483 50 0 BEAARN Cc1cc(=O)[nH]c(Nc2cccc(C)c2C)n1 ZINC000001280913 342698966 /nfs/dbraw/zinc/69/89/66/342698966.db2.gz PHKZVTQBULWMBB-UHFFFAOYSA-N 0 0 229.283 2.439 50 0 BEAARN CC(C)(C)c1n[nH]cc1Br ZINC000001384646 342699487 /nfs/dbraw/zinc/69/94/87/342699487.db2.gz AJQIBAOGDNNNPC-UHFFFAOYSA-N 0 0 203.083 2.470 50 0 BEAARN COCc1cc(Cl)nc(-c2cccnc2)n1 ZINC000001388930 342699737 /nfs/dbraw/zinc/69/97/37/342699737.db2.gz RBTFSKPPOOHKOI-UHFFFAOYSA-N 0 0 235.674 2.338 50 0 BEAARN Cc1nnsc1[S@@](=O)c1ccc(C)cc1 ZINC000001389372 342699755 /nfs/dbraw/zinc/69/97/55/342699755.db2.gz PJIRHTANIRAFGX-OAHLLOKOSA-N 0 0 238.337 2.322 50 0 BEAARN CS[C@@H](C)C(=O)N(C)Cc1c(C)noc1C ZINC000043038025 342700006 /nfs/dbraw/zinc/70/00/06/342700006.db2.gz DGBWLYPQTZWLTD-VIFPVBQESA-N 0 0 242.344 2.001 50 0 BEAARN c1csc(-c2cn3cccnc3n2)c1 ZINC000001454651 342701076 /nfs/dbraw/zinc/70/10/76/342701076.db2.gz JZCAAAHWCAATEC-UHFFFAOYSA-N 0 0 201.254 2.458 50 0 BEAARN CC(=O)Nc1ccc(N)c2ccccc12 ZINC000001508100 342702028 /nfs/dbraw/zinc/70/20/28/342702028.db2.gz QDDUVLAJKGAIJX-UHFFFAOYSA-N 0 0 200.241 2.380 50 0 BEAARN COC(=O)CCCCCCCCC(=O)OC ZINC000001699974 342710071 /nfs/dbraw/zinc/71/00/71/342710071.db2.gz ALOUNLDAKADEEB-UHFFFAOYSA-N 0 0 230.304 2.453 50 0 biogenic,in-vitro BEAARN CCCCC(=O)Nc1ccc(N)cc1OC ZINC000002382207 342719597 /nfs/dbraw/zinc/71/95/97/342719597.db2.gz HCZOTSLSKOFUMC-UHFFFAOYSA-N 0 0 222.288 2.406 50 0 BEAARN CC(C)(C)NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000001803421 342712713 /nfs/dbraw/zinc/71/27/13/342712713.db2.gz BWRIXCIVVJNFFX-UHFFFAOYSA-N 0 0 244.294 2.265 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000002385859 342719648 /nfs/dbraw/zinc/71/96/48/342719648.db2.gz MVUQWYZNNRALPX-SSDOTTSWSA-N 0 0 248.109 2.338 50 0 BEAARN COC(=O)COc1cccc2ccccc21 ZINC000002039103 342715098 /nfs/dbraw/zinc/71/50/98/342715098.db2.gz LDPICKNRMIPLLJ-UHFFFAOYSA-N 0 0 216.236 2.392 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000002387387 342719762 /nfs/dbraw/zinc/71/97/62/342719762.db2.gz JASNXOXPNZWQRV-GFCCVEGCSA-N 0 0 215.252 2.314 50 0 BEAARN CCN(C(=O)CC(C)=O)c1ccccc1C ZINC000002160122 342716261 /nfs/dbraw/zinc/71/62/61/342716261.db2.gz AFIPAEDDYKNWPB-UHFFFAOYSA-N 0 0 219.284 2.327 50 0 BEAARN Fc1ccc(CNc2cnccn2)cc1 ZINC000004105139 342742547 /nfs/dbraw/zinc/74/25/47/342742547.db2.gz ROQSRZITANMCHG-UHFFFAOYSA-N 0 0 203.220 2.228 50 0 BEAARN CC(C)C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000004683025 342750212 /nfs/dbraw/zinc/75/02/12/342750212.db2.gz ZJOWTIPPMQBTTA-LBPRGKRZSA-N 0 0 221.300 2.276 50 0 BEAARN Cc1ccc(N)cc1NC(=O)CN1CCCCC1 ZINC000004170859 342743413 /nfs/dbraw/zinc/74/34/13/342743413.db2.gz IQWGRCZHOQKEGQ-UHFFFAOYSA-N 0 0 247.342 2.002 50 0 BEAARN COC(=O)N=c1[nH]c2c(s1)CCCC2 ZINC000004195942 342743782 /nfs/dbraw/zinc/74/37/82/342743782.db2.gz BVHKSGGEXFPRRZ-UHFFFAOYSA-N 0 0 212.274 2.200 50 0 BEAARN [NH3+][C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000004204138 342744009 /nfs/dbraw/zinc/74/40/09/342744009.db2.gz BMWOGALGPJNHSP-CYBMUJFWSA-N 0 0 227.263 2.438 50 0 BEAARN O=C(c1cc(Cl)ccn1)N1CCCCC1 ZINC000004206212 342744370 /nfs/dbraw/zinc/74/43/70/342744370.db2.gz CXAYZALESVPCFR-UHFFFAOYSA-N 0 0 224.691 2.361 50 0 BEAARN Nc1ccnn1Cc1cccc(Cl)c1 ZINC000004218297 342744624 /nfs/dbraw/zinc/74/46/24/342744624.db2.gz IMUYDRBEOFXQGF-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000004240979 342745122 /nfs/dbraw/zinc/74/51/22/342745122.db2.gz CTPFYRQRENSGRK-GFCCVEGCSA-N 0 0 239.702 2.089 50 0 BEAARN CCOc1ccc(-c2cc(N)n[nH]2)cc1 ZINC000004243067 342745284 /nfs/dbraw/zinc/74/52/84/342745284.db2.gz KLCKUJMHTNSQBS-UHFFFAOYSA-N 0 0 203.245 2.058 50 0 BEAARN CCc1ccc(-c2c[nH]nc2C=O)cc1 ZINC000004244053 342745297 /nfs/dbraw/zinc/74/52/97/342745297.db2.gz OPBKURLXDIBUGQ-UHFFFAOYSA-N 0 0 200.241 2.452 50 0 BEAARN Cc1ccc(N)cc1-c1ccc(CO)o1 ZINC000004245237 342745436 /nfs/dbraw/zinc/74/54/36/342745436.db2.gz CXKRLPWHLBGVCM-UHFFFAOYSA-N 0 0 203.241 2.330 50 0 BEAARN CSc1nc(Br)ns1 ZINC000004290469 342745926 /nfs/dbraw/zinc/74/59/26/342745926.db2.gz SLMCXSVDKBFAAZ-UHFFFAOYSA-N 0 0 211.109 2.023 50 0 BEAARN CC(C)(C)NC(=O)C(Cl)(Cl)Cl ZINC000004387433 342747427 /nfs/dbraw/zinc/74/74/27/342747427.db2.gz KHSSPZJNBPLHRP-UHFFFAOYSA-N 0 0 218.511 2.271 50 0 BEAARN CCOc1cc(=O)oc2ccc(OC)cc12 ZINC000000058044 344001927 /nfs/dbraw/zinc/00/19/27/344001927.db2.gz FYBUBXWSAKPMFF-UHFFFAOYSA-N 0 0 220.224 2.200 50 0 BEAARN NN=c1[nH]c2c(cccc2Br)s1 ZINC000002455651 342720908 /nfs/dbraw/zinc/72/09/08/342720908.db2.gz WBDWQZLAGDRYRD-UHFFFAOYSA-N 0 0 244.117 2.344 50 0 BEAARN CCCCCc1nnc(NC(C)=O)s1 ZINC000002490410 342721209 /nfs/dbraw/zinc/72/12/09/342721209.db2.gz LVZDUHNTRKCSKT-UHFFFAOYSA-N 0 0 213.306 2.229 50 0 BEAARN COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000002526450 342722498 /nfs/dbraw/zinc/72/24/98/342722498.db2.gz GMEBDKGPPKAPEM-UHFFFAOYSA-N 0 0 218.174 2.421 50 0 BEAARN O=C(c1ccc(Cl)cc1)N1CCC(=O)CC1 ZINC000002527223 342722706 /nfs/dbraw/zinc/72/27/06/342722706.db2.gz VVTSPGAEYDBBSQ-UHFFFAOYSA-N 0 0 237.686 2.145 50 0 BEAARN Fc1cccc(Cl)c1CC1OCCO1 ZINC000002529053 342722978 /nfs/dbraw/zinc/72/29/78/342722978.db2.gz UWJKXBZZDXBIQA-UHFFFAOYSA-N 0 0 216.639 2.395 50 0 BEAARN Nc1cnn(COc2ccc(Cl)cc2)c1 ZINC000002535031 342723081 /nfs/dbraw/zinc/72/30/81/342723081.db2.gz XGXXRETURATBRV-UHFFFAOYSA-N 0 0 223.663 2.155 50 0 BEAARN COC(=O)Cc1c(F)cccc1Cl ZINC000002570117 342724711 /nfs/dbraw/zinc/72/47/11/342724711.db2.gz PBWURASHXOJZGA-UHFFFAOYSA-N 0 0 202.612 2.195 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000002575652 342725277 /nfs/dbraw/zinc/72/52/77/342725277.db2.gz UUVNRBNPVFBPTH-VIFPVBQESA-N 0 0 247.216 2.050 50 0 BEAARN O=C1Cc2cc(C(F)(F)F)ccc2N1 ZINC000002577872 342725302 /nfs/dbraw/zinc/72/53/02/342725302.db2.gz RANTVMNWZIWPNR-UHFFFAOYSA-N 0 0 201.147 2.200 50 0 BEAARN CCCn1c(CNC(C)=O)nc2ccccc21 ZINC000002721248 342726776 /nfs/dbraw/zinc/72/67/76/342726776.db2.gz WFXUMNMFGPZCDZ-UHFFFAOYSA-N 0 0 231.299 2.082 50 0 BEAARN COC(=O)CP(=O)(OC(C)C)OC(C)C ZINC000002831385 342727178 /nfs/dbraw/zinc/72/71/78/342727178.db2.gz GQQNLIOQXHGIII-UHFFFAOYSA-N 0 0 238.220 2.203 50 0 BEAARN CCc1ccc(C(=O)Nc2nncs2)cc1 ZINC000002872610 342727619 /nfs/dbraw/zinc/72/76/19/342727619.db2.gz HTIFDUXZASJPPY-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN Cc1ccc(N2C(=O)[C@@H](C(C)C)NC2=S)cc1 ZINC000003261535 342731845 /nfs/dbraw/zinc/73/18/45/342731845.db2.gz URLRESQYWGFJPO-LLVKDONJSA-N 0 0 248.351 2.241 50 0 BEAARN CCCCN(C)C(=O)Nc1ccc(OC)nc1 ZINC000048019143 342731884 /nfs/dbraw/zinc/73/18/84/342731884.db2.gz RHEMDNRLYUHCSJ-UHFFFAOYSA-N 0 0 237.303 2.354 50 0 BEAARN CCS[C@H](C)CC1CC(=O)CC(=O)C1 ZINC000004638223 342749748 /nfs/dbraw/zinc/74/97/48/342749748.db2.gz LOCUWOGARRGULQ-MRVPVSSYSA-N 0 0 214.330 2.456 50 0 BEAARN COc1cc(C(C)=O)ccc1Oc1ncccn1 ZINC000003490997 342733925 /nfs/dbraw/zinc/73/39/25/342733925.db2.gz ABODJUXNZBGFRS-UHFFFAOYSA-N 0 0 244.250 2.480 50 0 BEAARN CN(C)c1cccc(C(=O)NC2CCCC2)c1 ZINC000004663669 342749913 /nfs/dbraw/zinc/74/99/13/342749913.db2.gz OJYXIVBLPGGQCW-UHFFFAOYSA-N 0 0 232.327 2.425 50 0 BEAARN [NH3+][C@](Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000003677091 342736438 /nfs/dbraw/zinc/73/64/38/342736438.db2.gz YMCRTUKBQGPJNL-HNNXBMFYSA-N 0 0 241.290 2.168 50 0 BEAARN CCOc1cccc(-c2cc(N)n[nH]2)c1 ZINC000005525848 342765532 /nfs/dbraw/zinc/76/55/32/342765532.db2.gz YZVIITPOSQWAIE-UHFFFAOYSA-N 0 0 203.245 2.058 50 0 BEAARN O=C1N=NC=C1NNc1ccccc1Cl ZINC000005626309 342767481 /nfs/dbraw/zinc/76/74/81/342767481.db2.gz LFWBGPYMERULHG-UHFFFAOYSA-N 0 0 222.635 2.090 50 0 BEAARN Nc1ccc(C(=O)OCc2ccccc2)c(O)c1 ZINC000005934217 342771892 /nfs/dbraw/zinc/77/18/92/342771892.db2.gz CZAAMPINPSQRLM-UHFFFAOYSA-N 0 0 243.262 2.331 50 0 BEAARN Cc1cc(O)cc(=O)n1CCc1ccccc1 ZINC000006484169 342778513 /nfs/dbraw/zinc/77/85/13/342778513.db2.gz CQJWDBBIQCWNAE-UHFFFAOYSA-N 0 0 229.279 2.105 50 0 BEAARN S=C1N=NC(COc2ccc(Cl)cc2)N1 ZINC000006093130 342773554 /nfs/dbraw/zinc/77/35/54/342773554.db2.gz OIAHIKHIYQWBHQ-UHFFFAOYSA-N 0 0 241.703 2.326 50 0 BEAARN O=C(CCc1ccccc1)Nc1cnccn1 ZINC000004749414 342751511 /nfs/dbraw/zinc/75/15/11/342751511.db2.gz QLXYFBRMZUPGMZ-UHFFFAOYSA-N 0 0 227.267 2.048 50 0 BEAARN CSc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000008684339 342801996 /nfs/dbraw/zinc/80/19/96/342801996.db2.gz YTIANAHQLYDHIU-UHFFFAOYSA-N 0 0 238.337 2.195 50 0 BEAARN Nc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000006650635 342780220 /nfs/dbraw/zinc/78/02/20/342780220.db2.gz IEYJZLLRDTWHPD-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN CCN(CC)C(=O)Cc1cccc(C)c1 ZINC000006726334 342781501 /nfs/dbraw/zinc/78/15/01/342781501.db2.gz AMKHZSUQOCLLFW-UHFFFAOYSA-N 0 0 205.301 2.406 50 0 BEAARN Cc1ccc(N2C(=O)c3ccncc3C2=O)cc1 ZINC000006737263 342781611 /nfs/dbraw/zinc/78/16/11/342781611.db2.gz JIWWFYXUAOBDIL-UHFFFAOYSA-N 0 0 238.246 2.191 50 0 BEAARN CCCCS(=O)(=O)NC1CCCCCC1 ZINC000006729947 342781674 /nfs/dbraw/zinc/78/16/74/342781674.db2.gz YAQFCHQTLGFOOD-UHFFFAOYSA-N 0 0 233.377 2.429 50 0 BEAARN Nc1ccccc1NC(=O)C1CCCC1 ZINC000008703401 342802737 /nfs/dbraw/zinc/80/27/37/342802737.db2.gz BCEIMNDORRXHFS-UHFFFAOYSA-N 0 0 204.273 2.398 50 0 BEAARN O=c1[nH]c(-c2ccccn2)c(-c2ccccn2)o1 ZINC000006817069 342783768 /nfs/dbraw/zinc/78/37/68/342783768.db2.gz LRUZCYAUMSWZOY-UHFFFAOYSA-N 0 0 239.234 2.092 50 0 BEAARN CN(C)c1ccc(N)cc1C(F)(F)F ZINC000008701217 342802878 /nfs/dbraw/zinc/80/28/78/342802878.db2.gz ZQEWNTUETRXSRX-UHFFFAOYSA-N 0 0 204.195 2.354 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1Cc2ccc(N)cc2C1 ZINC000002599348 342788156 /nfs/dbraw/zinc/78/81/56/342788156.db2.gz FIZZCNCGJUVFEU-LBPRGKRZSA-N 0 0 248.326 2.261 50 0 BEAARN Nc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000007467996 342791521 /nfs/dbraw/zinc/79/15/21/342791521.db2.gz DAXUGYVWKQUGTB-UHFFFAOYSA-N 0 0 226.279 2.450 50 0 BEAARN Clc1ccc(CNn2cnnc2)cc1Cl ZINC000007601175 342792394 /nfs/dbraw/zinc/79/23/94/342792394.db2.gz QQEGYMWRXHKNNU-UHFFFAOYSA-N 0 0 243.097 2.329 50 0 BEAARN Cc1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000000040346 178438947 /nfs/dbraw/zinc/43/89/47/178438947.db2.gz IKAJSLFVCPMOCD-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ccc(C(=O)Nc2nncs2)s1 ZINC000001055025 178440318 /nfs/dbraw/zinc/44/03/18/178440318.db2.gz ZTTZXUJHXOQLIE-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN CC[C@H](Oc1ccccc1OC)C(=O)NC1CC1 ZINC000008040733 342795781 /nfs/dbraw/zinc/79/57/81/342795781.db2.gz NUHGOLCTUVTMDN-NSHDSACASA-N 0 0 249.310 2.131 50 0 BEAARN CCCCCCC(=O)Nc1nncs1 ZINC000003016646 342798784 /nfs/dbraw/zinc/79/87/84/342798784.db2.gz QCTZLERRJPXIKJ-UHFFFAOYSA-N 0 0 213.306 2.447 50 0 BEAARN CCOc1c(C=O)c(C)nn1CC(C)C ZINC000009579611 342821339 /nfs/dbraw/zinc/82/13/39/342821339.db2.gz NVZFJIYEHGFPCV-UHFFFAOYSA-N 0 0 210.277 2.059 50 0 BEAARN COC[C@H](C)Oc1ccc(Cl)cc1N ZINC000008730365 342803646 /nfs/dbraw/zinc/80/36/46/342803646.db2.gz CMQJNXATQBOQPG-ZETCQYMHSA-N 0 0 215.680 2.336 50 0 BEAARN CCC(CC)Nc1cccc(NC(=O)CO)c1 ZINC000095991602 168393959 /nfs/dbraw/zinc/39/39/59/168393959.db2.gz BDATYAFREKMYHJ-UHFFFAOYSA-N 0 0 236.315 2.218 50 0 BEAARN O=C([O-])c1cccc(OCCC[NH+]2CCCC2)c1 ZINC000008731483 342803805 /nfs/dbraw/zinc/80/38/05/342803805.db2.gz HIEZNOHXHOPBOF-UHFFFAOYSA-N 0 0 249.310 2.250 50 0 BEAARN O=c1[nH]c(C=Cc2cccnc2)nc2ccccc21 ZINC000008738871 342803904 /nfs/dbraw/zinc/80/39/04/342803904.db2.gz DDIHOIBFSBKMLO-BQYQJAHWSA-N 0 0 249.273 2.489 50 0 BEAARN CC(=O)Nc1nc(-c2cccc(N)c2)cs1 ZINC000008739878 342804027 /nfs/dbraw/zinc/80/40/27/342804027.db2.gz UTECODUDYGFNTJ-UHFFFAOYSA-N 0 0 233.296 2.351 50 0 BEAARN Cc1ccc(O)c(C(=O)Nc2ccncc2)c1 ZINC000008746828 342804385 /nfs/dbraw/zinc/80/43/85/342804385.db2.gz FRPKSIJGAKEKTR-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN CCC(CC)S(=O)(=O)CC1CCOCC1 ZINC000095398421 168395710 /nfs/dbraw/zinc/39/57/10/168395710.db2.gz GKVCKARCOCHLSZ-UHFFFAOYSA-N 0 0 234.361 2.016 50 0 BEAARN CSc1nc2ccccc2c2nc(C)nn21 ZINC000009937921 342829872 /nfs/dbraw/zinc/82/98/72/342829872.db2.gz OVFACMHMRBUIMH-UHFFFAOYSA-N 0 0 230.296 2.308 50 0 BEAARN CC[C@@H](C)NC(=O)c1sc2ncccc2c1N ZINC000010011118 342831309 /nfs/dbraw/zinc/83/13/09/342831309.db2.gz MYVPNMUMHFHRHD-SSDOTTSWSA-N 0 0 249.339 2.407 50 0 BEAARN Nc1ncc(NNc2cccc(F)c2)s1 ZINC000013222033 361961803 /nfs/dbraw/zinc/96/18/03/361961803.db2.gz MJODZJXLBYZHKC-UHFFFAOYSA-N 0 0 224.264 2.303 50 0 BEAARN Nc1cc(I)ccc1F ZINC000012649839 342856109 /nfs/dbraw/zinc/85/61/09/342856109.db2.gz XNFXQUHUFXJVSV-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN CCN(CC)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012341476 342849235 /nfs/dbraw/zinc/84/92/35/342849235.db2.gz SJQNRBALVVJKLQ-FOSCPWQOSA-N 0 0 237.343 2.250 50 0 BEAARN O=C(NC1CCC(=O)CC1)OCc1ccccc1 ZINC000012359134 342849835 /nfs/dbraw/zinc/84/98/35/342849835.db2.gz VHXBIBFCJISKFA-UHFFFAOYSA-N 0 0 247.294 2.425 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(F)(F)C1 ZINC000012359416 342849942 /nfs/dbraw/zinc/84/99/42/342849942.db2.gz ULFWNKDACVUZOD-UHFFFAOYSA-N 0 0 207.220 2.263 50 0 BEAARN CC(C)(C)OC(=O)NCc1ncccc1F ZINC000012370203 342850456 /nfs/dbraw/zinc/85/04/56/342850456.db2.gz JKLFDXDBLLWDNO-UHFFFAOYSA-N 0 0 226.251 2.245 50 0 BEAARN Cc1cncc(Oc2ccc(C=O)cc2)n1 ZINC000012370729 342850492 /nfs/dbraw/zinc/85/04/92/342850492.db2.gz VUPYANPNFUPQQU-UHFFFAOYSA-N 0 0 214.224 2.390 50 0 BEAARN Cc1cncc(Oc2ccc(CO)cc2)n1 ZINC000012370731 342850494 /nfs/dbraw/zinc/85/04/94/342850494.db2.gz RNFIYSOVNHRFJW-UHFFFAOYSA-N 0 0 216.240 2.070 50 0 BEAARN CC(C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000012383041 342850627 /nfs/dbraw/zinc/85/06/27/342850627.db2.gz AFFBZOLMEVADHW-UHFFFAOYSA-N 0 0 233.311 2.467 50 0 BEAARN CC(C)C(=O)NCCc1ccc(F)cc1 ZINC000012381918 342850753 /nfs/dbraw/zinc/85/07/53/342850753.db2.gz LZLRFFNQUQSYAZ-UHFFFAOYSA-N 0 0 209.264 2.140 50 0 BEAARN O=c1cc(C(F)(F)F)c2c([nH]1)onc2C1CC1 ZINC000012398518 342851320 /nfs/dbraw/zinc/85/13/20/342851320.db2.gz WJEIJTKVKRCVSV-UHFFFAOYSA-N 0 0 244.172 2.412 50 0 BEAARN Nc1n[nH]cc1-c1ccc(Cl)cc1F ZINC000012404901 342851608 /nfs/dbraw/zinc/85/16/08/342851608.db2.gz OKZHMBJRVSDBRT-UHFFFAOYSA-N 0 0 211.627 2.451 50 0 BEAARN O=C(CNc1cccc(F)c1)N1CCCCC1 ZINC000012933492 342861370 /nfs/dbraw/zinc/86/13/70/342861370.db2.gz IOAMMSMITHJJRL-UHFFFAOYSA-N 0 0 236.290 2.250 50 0 BEAARN Cc1ccc2nc(C)cc(C(=O)OCCO)c2c1 ZINC000032823696 342878555 /nfs/dbraw/zinc/87/85/55/342878555.db2.gz ZBECPRPEXOHLSU-UHFFFAOYSA-N 0 0 245.278 2.001 50 0 BEAARN CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000004410642 342863829 /nfs/dbraw/zinc/86/38/29/342863829.db2.gz AHJHXLBVCPEERJ-UHFFFAOYSA-N 0 0 214.268 2.073 50 0 biogenic BEAARN Cc1ccc(NC(=O)c2cnccn2)cc1F ZINC000013325542 342865827 /nfs/dbraw/zinc/86/58/27/342865827.db2.gz KKMACMDPTPIZNC-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN Cc1nc(Nc2ccc(F)cc2)[nH]c(=O)c1C ZINC000013637071 342869212 /nfs/dbraw/zinc/86/92/12/342869212.db2.gz ABZSCKQLFVOMNZ-UHFFFAOYSA-N 0 0 233.246 2.269 50 0 BEAARN CCCC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000032739359 342871430 /nfs/dbraw/zinc/87/14/30/342871430.db2.gz GPBBFFHSSQUYDI-UHFFFAOYSA-N 0 0 223.320 2.456 50 0 BEAARN CC[C@@H](Oc1ccccc1F)C(=O)N(C)C ZINC000013856388 342873079 /nfs/dbraw/zinc/87/30/79/342873079.db2.gz UBCTYBBFPNVAMS-SNVBAGLBSA-N 0 0 225.263 2.071 50 0 BEAARN CSc1n[nH]nc1C(=O)Nc1cccc(C)c1 ZINC000004475927 342873212 /nfs/dbraw/zinc/87/32/12/342873212.db2.gz DHPHQONTAVMIHU-UHFFFAOYSA-N 0 0 248.311 2.087 50 0 BEAARN CCCn1c2ccc(N)cc2nc1[C@@H](C)O ZINC000014000463 342875654 /nfs/dbraw/zinc/87/56/54/342875654.db2.gz ZVGPUXKEXKLMPC-MRVPVSSYSA-N 0 0 219.288 2.082 50 0 BEAARN O=C(c1cn(C2CCCCC2)nn1)N1CCCC1 ZINC000012718451 342856906 /nfs/dbraw/zinc/85/69/06/342856906.db2.gz FSAPVPURFAFJNO-UHFFFAOYSA-N 0 0 248.330 2.019 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)c1ccccn1 ZINC000032817678 342878416 /nfs/dbraw/zinc/87/84/16/342878416.db2.gz IIAYHDLICGBBGB-JTQLQIEISA-N 0 0 230.267 2.036 50 0 BEAARN O=C1OCCN1CCCSCc1ccco1 ZINC000096416310 398317688 /nfs/dbraw/zinc/31/76/88/398317688.db2.gz GKUPAPFEPATWMC-UHFFFAOYSA-N 0 0 241.312 2.355 50 0 BEAARN Cc1nc(Cl)cc(N[C@@H](CCO)C(C)C)n1 ZINC000096429767 398318131 /nfs/dbraw/zinc/31/81/31/398318131.db2.gz QFGIJHCQKSASIP-VIFPVBQESA-N 0 0 243.738 2.257 50 0 BEAARN CCc1ccc(CN(CC(N)=O)C(C)C)nc1 ZINC000328589713 398313172 /nfs/dbraw/zinc/31/31/72/398313172.db2.gz YRLZCFUVVBEWTD-UHFFFAOYSA-N 0 0 235.331 2.390 50 0 BEAARN Fc1cc2n[nH]cc2c(Br)c1 ZINC000014984592 342890176 /nfs/dbraw/zinc/89/01/76/342890176.db2.gz VUKKRGQLFZMXNZ-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Cc1cnc([C@@H](C)NC(=O)OC(C)(C)C)n1C ZINC000015020951 342890679 /nfs/dbraw/zinc/89/06/79/342890679.db2.gz KYFYBQGIYQMLJJ-SECBINFHSA-N 0 0 239.319 2.314 50 0 BEAARN CN(Cc1cccnc1)C(=O)OCC(F)(F)F ZINC000079646080 398315591 /nfs/dbraw/zinc/31/55/91/398315591.db2.gz VVJJUDBYIKMCPW-UHFFFAOYSA-N 0 0 248.204 2.212 50 0 BEAARN NNc1ccnc2ccc(Br)cc21 ZINC000016123631 342906721 /nfs/dbraw/zinc/90/67/21/342906721.db2.gz QZIBIBHUPQKLPS-UHFFFAOYSA-N 0 0 238.088 2.283 50 0 BEAARN COC[C@H](C)NC(=S)NC1CCCCCC1 ZINC000016238193 342908594 /nfs/dbraw/zinc/90/85/94/342908594.db2.gz BDUUWFXELOMFQS-JTQLQIEISA-N 0 0 244.404 2.208 50 0 BEAARN Cc1ccc(CS(=O)(=O)NCC(C)C)cc1 ZINC000016579220 342912664 /nfs/dbraw/zinc/91/26/64/342912664.db2.gz MVLLNCOHWMBUBB-UHFFFAOYSA-N 0 0 241.356 2.070 50 0 BEAARN O=C1CCc2ccc(Br)cc2N1 ZINC000016697346 342914272 /nfs/dbraw/zinc/91/42/72/342914272.db2.gz JEZXCJXCRWALSO-UHFFFAOYSA-N 0 0 226.073 2.334 50 0 BEAARN Cc1ccoc1C(=O)Nc1nccs1 ZINC000016959537 342918149 /nfs/dbraw/zinc/91/81/49/342918149.db2.gz GRUIUJNJYFYWHU-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN CS[C@@H](Nc1ccccc1)N1CCOCC1 ZINC000032925309 342919019 /nfs/dbraw/zinc/91/90/19/342919019.db2.gz IWBHXMZTTZEXQZ-LBPRGKRZSA-N 0 0 238.356 2.077 50 0 BEAARN CCCC(=O)Nc1ccc2nsnc2c1 ZINC000017083475 342920365 /nfs/dbraw/zinc/92/03/65/342920365.db2.gz FUWWSFHVLQCMJB-UHFFFAOYSA-N 0 0 221.285 2.430 50 0 BEAARN O=c1[nH]c(=S)[nH]cc1-c1ccccc1 ZINC000017111111 342920859 /nfs/dbraw/zinc/92/08/59/342920859.db2.gz KKWYFXCDFFPFIF-UHFFFAOYSA-N 0 0 204.254 2.099 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)Cn2cccn2)s1 ZINC000031391301 398325324 /nfs/dbraw/zinc/32/53/24/398325324.db2.gz PVDJQHWSAQVESR-VIFPVBQESA-N 0 0 249.339 2.072 50 0 BEAARN ClC1(Cl)C[C@@H]1CSc1nc[nH]n1 ZINC000017971909 342930169 /nfs/dbraw/zinc/93/01/69/342930169.db2.gz PYPBYLSMSOWIFU-SCSAIBSYSA-N 0 0 224.116 2.091 50 0 BEAARN Cc1[nH]c(=S)[nH]c(=O)c1CCC(C)C ZINC000018067116 342931345 /nfs/dbraw/zinc/93/13/45/342931345.db2.gz UZPPDSZWSKASDE-UHFFFAOYSA-N 0 0 212.318 2.330 50 0 BEAARN Cn1c(Cc2cccs2)n[nH]c1=S ZINC000018180587 342933497 /nfs/dbraw/zinc/93/34/97/342933497.db2.gz YETVNCCVPUJBQA-UHFFFAOYSA-N 0 0 211.315 2.130 50 0 BEAARN Cc1csc2ncnc(-c3cc[nH]n3)c12 ZINC000067641828 398329124 /nfs/dbraw/zinc/32/91/24/398329124.db2.gz PBNAGLZUPMUTGZ-UHFFFAOYSA-N 0 0 216.269 2.390 50 0 BEAARN CC(=O)c1cccc(NC(=S)NC2CC2)c1 ZINC000008684926 398329318 /nfs/dbraw/zinc/32/93/18/398329318.db2.gz RZZLGFMZMXMPRA-UHFFFAOYSA-N 0 0 234.324 2.338 50 0 BEAARN Cc1nsc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 ZINC000245305025 398329728 /nfs/dbraw/zinc/32/97/28/398329728.db2.gz HQHXOKQNBIWEDU-IWSPIJDZSA-N 0 0 239.344 2.072 50 0 BEAARN COc1cc(F)ccc1NC(=O)c1cccn1C ZINC000069488464 398329958 /nfs/dbraw/zinc/32/99/58/398329958.db2.gz SWFDTYLCKNKNAZ-UHFFFAOYSA-N 0 0 248.257 2.425 50 0 BEAARN Cc1ncsc1C(=O)Nc1ccc(C)cn1 ZINC000048226494 342936311 /nfs/dbraw/zinc/93/63/11/342936311.db2.gz TYRXQGRNVWGNSZ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ccc(C)c(C(=O)NC[C@@H]2CCCO2)c1 ZINC000000514721 178465531 /nfs/dbraw/zinc/46/55/31/178465531.db2.gz JHQSEBRJOQYXOX-LBPRGKRZSA-N 0 0 233.311 2.212 50 0 BEAARN CCN(CCO)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000004979983 398337010 /nfs/dbraw/zinc/33/70/10/398337010.db2.gz VDAHBCIKPBYXBA-UHFFFAOYSA-N 0 0 249.354 2.439 50 0 BEAARN CCc1nc(-c2ccc(C)nc2OC)no1 ZINC000000498640 346887987 /nfs/dbraw/zinc/88/79/87/346887987.db2.gz JRBRCCYOJOUEBP-UHFFFAOYSA-N 0 0 219.244 2.011 50 0 BEAARN CCC(CC)[C@H](O)[C@H]1CCCC[C@H]1O ZINC000248269013 398341382 /nfs/dbraw/zinc/34/13/82/398341382.db2.gz PKYNNTVDTHYWOQ-TUAOUCFPSA-N 0 0 200.322 2.335 50 0 BEAARN Cc1cc(-c2nnc3ccccn32)ccc1N ZINC000019505100 342949965 /nfs/dbraw/zinc/94/99/65/342949965.db2.gz WTOVBGFEPYHXQZ-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN Clc1cccc(CN2CCOCC2)c1 ZINC000019633220 342952895 /nfs/dbraw/zinc/95/28/95/342952895.db2.gz NWMZWMSJQLEJTG-UHFFFAOYSA-N 0 0 211.692 2.172 50 0 BEAARN CC(C)(C)NS(=O)(=O)c1cc(F)ccc1F ZINC000012381501 346897044 /nfs/dbraw/zinc/89/70/44/346897044.db2.gz MECYWUJBBJYYAM-UHFFFAOYSA-N 0 0 249.282 2.042 50 0 BEAARN Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000019689497 342953921 /nfs/dbraw/zinc/95/39/21/342953921.db2.gz XGRMROKOYHRHCO-GFCCVEGCSA-N 0 0 213.284 2.391 50 0 BEAARN CN(C)c1nc2ccccc2cc1C=O ZINC000019702656 342953926 /nfs/dbraw/zinc/95/39/26/342953926.db2.gz RCRLBHNGTPRGJQ-UHFFFAOYSA-N 0 0 200.241 2.113 50 0 BEAARN Cc1ccc(O)c(C(=O)NCC(C)C)c1 ZINC000019837230 342959041 /nfs/dbraw/zinc/95/90/41/342959041.db2.gz LQFVADKQUZBIRE-UHFFFAOYSA-N 0 0 207.273 2.086 50 0 BEAARN Nc1ccc(Sc2nncs2)cc1 ZINC000019845679 342959951 /nfs/dbraw/zinc/95/99/51/342959951.db2.gz XQYYWSFSSCBHGH-UHFFFAOYSA-N 0 0 209.299 2.272 50 0 BEAARN COC(=O)[C@@H](N)c1ccc(Cl)c(Cl)c1 ZINC000019851036 342959969 /nfs/dbraw/zinc/95/99/69/342959969.db2.gz LKSNQOTUSKXUBR-QMMMGPOBSA-N 0 0 234.082 2.166 50 0 BEAARN COc1ccc(Cn2nc(C)c(N)c2C)cc1 ZINC000019869455 342960460 /nfs/dbraw/zinc/96/04/60/342960460.db2.gz BYBOFEMXJVYIME-UHFFFAOYSA-N 0 0 231.299 2.139 50 0 BEAARN CSc1cc(C(F)(F)F)cc(=O)[nH]1 ZINC000019926744 342963622 /nfs/dbraw/zinc/96/36/22/342963622.db2.gz ZNGMVFQNKKBSEO-UHFFFAOYSA-N 0 0 209.192 2.116 50 0 BEAARN Cc1ccc(NC(=O)c2cc[nH]n2)c(C)c1 ZINC000020033235 342966711 /nfs/dbraw/zinc/96/67/11/342966711.db2.gz XGCZKFWIHLTLFM-UHFFFAOYSA-N 0 0 215.256 2.072 50 0 BEAARN Cc1ccc(C[NH+]2CCSCC2)cc1N ZINC000020257455 342979045 /nfs/dbraw/zinc/97/90/45/342979045.db2.gz WWXYCVPEPZEQQB-UHFFFAOYSA-N 0 0 222.357 2.126 50 0 BEAARN Nc1cccnc1N1CCc2ccccc21 ZINC000020353335 342982659 /nfs/dbraw/zinc/98/26/59/342982659.db2.gz ZCQRTPZZCMCRDX-UHFFFAOYSA-N 0 0 211.268 2.358 50 0 BEAARN Nc1ccc(NC(=O)C(F)(F)F)c(Cl)c1 ZINC000020344908 342982851 /nfs/dbraw/zinc/98/28/51/342982851.db2.gz ZXCOYCIWERPDIF-UHFFFAOYSA-N 0 0 238.596 2.423 50 0 BEAARN Cc1ccc2[nH]c(SCC(=O)N(C)C)nc2c1 ZINC000005696164 346914709 /nfs/dbraw/zinc/91/47/09/346914709.db2.gz VUBUXDXSSSCECR-UHFFFAOYSA-N 0 0 249.339 2.052 50 0 BEAARN O=c1ccc2c([nH]1)C[C@H](c1cccs1)CC2=O ZINC000022127170 343040937 /nfs/dbraw/zinc/04/09/37/343040937.db2.gz CQWIEPYVQOJWBA-QMMMGPOBSA-N 0 0 245.303 2.349 50 0 BEAARN Nc1ccc(OCc2ccccc2)nc1 ZINC000022163421 343042772 /nfs/dbraw/zinc/04/27/72/343042772.db2.gz CDCFXBSOKSIQPU-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN Clc1nc2cccnc2nc1Cl ZINC000021990998 343032420 /nfs/dbraw/zinc/03/24/20/343032420.db2.gz HWJDFFLZOOKZNL-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN Cn1ccc(NC(=O)c2ccc(Cl)s2)n1 ZINC000022475686 343049932 /nfs/dbraw/zinc/04/99/32/343049932.db2.gz KCBWRCJAOOLIMK-UHFFFAOYSA-N 0 0 241.703 2.387 50 0 BEAARN CC(C)CC(=O)NCCc1cn2ccccc2n1 ZINC000023319349 343063015 /nfs/dbraw/zinc/06/30/15/343063015.db2.gz KSNOLLNVLTVFTM-UHFFFAOYSA-N 0 0 245.326 2.039 50 0 BEAARN O=C(CCc1ccco1)NCc1ccco1 ZINC000023735086 343066849 /nfs/dbraw/zinc/06/68/49/343066849.db2.gz JRVRZKOTYFJXKZ-UHFFFAOYSA-N 0 0 219.240 2.122 50 0 BEAARN CCCCCNC(=O)Nc1cc(C)nn1C ZINC000043435617 343068866 /nfs/dbraw/zinc/06/88/66/343068866.db2.gz DOYWHLVQHZRRNM-UHFFFAOYSA-N 0 0 224.308 2.040 50 0 BEAARN CCOC(=O)c1cn2ccc(CC)cc2n1 ZINC000141330057 343091743 /nfs/dbraw/zinc/09/17/43/343091743.db2.gz CPRFHRKJGCYBBF-UHFFFAOYSA-N 0 0 218.256 2.073 50 0 BEAARN O=C(Nc1ccc(Cl)cn1)C1CCOCC1 ZINC000026088448 343099924 /nfs/dbraw/zinc/09/99/24/343099924.db2.gz YELLZTKDHOHPCB-UHFFFAOYSA-N 0 0 240.690 2.100 50 0 BEAARN C[C@H](O)CNC(=O)Nc1cccc2ccccc21 ZINC000011004477 343103663 /nfs/dbraw/zinc/10/36/63/343103663.db2.gz QFZNMLQVZUJASV-JTQLQIEISA-N 0 0 244.294 2.342 50 0 BEAARN O=c1cc(-c2cccs2)[nH]c(=S)[nH]1 ZINC000026420770 343104708 /nfs/dbraw/zinc/10/47/08/343104708.db2.gz GCRWCKWTDHPWIV-UHFFFAOYSA-N 0 0 210.283 2.161 50 0 BEAARN Nc1cccc(-c2cn3c(n2)SCC3)c1 ZINC000026420610 343104934 /nfs/dbraw/zinc/10/49/34/343104934.db2.gz FEQNFBGFDOIMFC-UHFFFAOYSA-N 0 0 217.297 2.238 50 0 BEAARN Nc1cccc(-c2nc(-c3ccccn3)n[nH]2)c1 ZINC000026508111 343106007 /nfs/dbraw/zinc/10/60/07/343106007.db2.gz XQUDJJUJMHFDQF-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN COc1cc(-c2cc[nH]n2)cc(OC)c1OC ZINC000026511184 343106378 /nfs/dbraw/zinc/10/63/78/343106378.db2.gz NBUSEKUPSWKJJG-UHFFFAOYSA-N 0 0 234.255 2.103 50 0 BEAARN C[C@@]12CC[C@H]3[C@]1(C)N(CCOC3(C)C)C(=O)O2 ZINC000245257464 187234080 /nfs/dbraw/zinc/23/40/80/187234080.db2.gz ZWWCSLNKKSSOED-WQAKAFBOSA-N 0 0 239.315 2.175 50 0 BEAARN CC(=O)N[C@H](C)Cc1cc2ccccc2o1 ZINC000238415905 187233793 /nfs/dbraw/zinc/23/37/93/187233793.db2.gz WXMZXYWWLVXYMA-SECBINFHSA-N 0 0 217.268 2.500 50 0 BEAARN CCOC(=O)/C=C/c1ccc(N2CCCC2)nc1 ZINC000029786673 343146831 /nfs/dbraw/zinc/14/68/31/343146831.db2.gz SHNSYRIPSIMQJU-SOFGYWHQSA-N 0 0 246.310 2.258 50 0 BEAARN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CO)O2 ZINC000029315245 343137634 /nfs/dbraw/zinc/13/76/34/343137634.db2.gz PKYWXDRQTMJSJK-CQSZACIVSA-N 0 0 236.311 2.393 50 0 BEAARN O=C(CCc1cccnc1)NC(C1CC1)C1CC1 ZINC000029383473 343138695 /nfs/dbraw/zinc/13/86/95/343138695.db2.gz PYKUTLMDJMBHKQ-UHFFFAOYSA-N 0 0 244.338 2.319 50 0 BEAARN NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1 ZINC000020297191 343140167 /nfs/dbraw/zinc/14/01/67/343140167.db2.gz FWLHRSUMHBQBMO-UHFFFAOYSA-N 0 0 241.246 2.390 50 0 BEAARN Cc1cn2nc(N(C)Cc3ccco3)sc2n1 ZINC000029627615 343144971 /nfs/dbraw/zinc/14/49/71/343144971.db2.gz ZMEZXKHROXKZTO-UHFFFAOYSA-N 0 0 248.311 2.329 50 0 BEAARN Cc1sc(-c2ccco2)nc1C(=O)N(C)C ZINC000030575824 343182639 /nfs/dbraw/zinc/18/26/39/343182639.db2.gz LZBMFSVBFGFOOU-UHFFFAOYSA-N 0 0 236.296 2.413 50 0 BEAARN CC(C)(C)c1nnc(N2CCCC2)s1 ZINC000089761554 187243847 /nfs/dbraw/zinc/24/38/47/187243847.db2.gz KFSDHKMBRMESBQ-UHFFFAOYSA-N 0 0 211.334 2.436 50 0 BEAARN CC(=O)Nc1ccc(-c2csc(N)n2)cc1 ZINC000000058195 187244128 /nfs/dbraw/zinc/24/41/28/187244128.db2.gz VBBNSESFUHRMJU-UHFFFAOYSA-N 0 0 233.296 2.351 50 0 BEAARN CC(=O)Oc1ccnc(C(F)(F)F)c1C(C)=O ZINC000000129176 187244138 /nfs/dbraw/zinc/24/41/38/187244138.db2.gz IZXWVCXDOUJEPE-UHFFFAOYSA-N 0 0 247.172 2.228 50 0 BEAARN CC(=O)Cc1nsc(Nc2ccccc2)n1 ZINC000000107807 187244285 /nfs/dbraw/zinc/24/42/85/187244285.db2.gz XLJGKAGJWBNCSQ-UHFFFAOYSA-N 0 0 233.296 2.413 50 0 BEAARN CSc1ncccc1C(=O)NCc1ccco1 ZINC000003371189 187245755 /nfs/dbraw/zinc/24/57/55/187245755.db2.gz JMFHTZSBDYCESN-UHFFFAOYSA-N 0 0 248.307 2.327 50 0 BEAARN Cc1c(Cl)c(=O)n(-c2ccccc2)n1C ZINC000002549713 187245912 /nfs/dbraw/zinc/24/59/12/187245912.db2.gz QCUJRLKNQGXLCW-UHFFFAOYSA-N 0 0 222.675 2.138 50 0 BEAARN CCn1ncc(C(=O)N2CCC[C@@H](C)C2)c1C ZINC000002781276 187246325 /nfs/dbraw/zinc/24/63/25/187246325.db2.gz GWDKKEBTNFISMC-SNVBAGLBSA-N 0 0 235.331 2.084 50 0 BEAARN Cc1cc(Br)c(F)cc1N ZINC000002541325 187246362 /nfs/dbraw/zinc/24/63/62/187246362.db2.gz BRAZFTXACIZDRP-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN CC(=O)NCCNc1cccc2ccccc21 ZINC000004706717 187246713 /nfs/dbraw/zinc/24/67/13/187246713.db2.gz HZYHRPXUOHTHQR-UHFFFAOYSA-N 0 0 228.295 2.388 50 0 BEAARN Cc1cc(N)n(-c2ccc(C)c(C)c2)n1 ZINC000004992318 187247785 /nfs/dbraw/zinc/24/77/85/187247785.db2.gz WXDYUCKPHTULEB-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN OCc1ccccc1C[NH+]1CCCCC1 ZINC000000064913 187244662 /nfs/dbraw/zinc/24/46/62/187244662.db2.gz KZSCBYKUUQJGNN-UHFFFAOYSA-N 0 0 205.301 2.165 50 0 BEAARN O=Cc1ccc(Sc2ncccn2)o1 ZINC000000846370 187244916 /nfs/dbraw/zinc/24/49/16/187244916.db2.gz BVGQOPQJOBCDBN-UHFFFAOYSA-N 0 0 206.226 2.033 50 0 BEAARN COC(OC)c1cncc(Br)c1 ZINC000030677708 343193445 /nfs/dbraw/zinc/19/34/45/343193445.db2.gz BNRIHZWATOCKDB-UHFFFAOYSA-N 0 0 232.077 2.136 50 0 BEAARN Nc1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC000030677805 343193499 /nfs/dbraw/zinc/19/34/99/343193499.db2.gz BVMGAUOJVUEFSV-GFCCVEGCSA-N 0 0 217.272 2.318 50 0 BEAARN CC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000032015464 343228805 /nfs/dbraw/zinc/22/88/05/343228805.db2.gz USPWKCAXCBMWBR-UHFFFAOYSA-N 0 0 227.691 2.247 50 0 BEAARN O=C(OCc1ccccc1)[C@H]1CCCCC1=O ZINC000032151142 343230154 /nfs/dbraw/zinc/23/01/54/343230154.db2.gz UZOGMVJYLSQKCU-LBPRGKRZSA-N 0 0 232.279 2.489 50 0 BEAARN Nc1ccc(S(=O)(=O)C2CCCCC2)cc1 ZINC000033468762 343254678 /nfs/dbraw/zinc/25/46/78/343254678.db2.gz TYABHXCKDQJUNJ-UHFFFAOYSA-N 0 0 239.340 2.375 50 0 BEAARN COc1ccc(C(=O)Cn2nc(C)cc2C)cc1 ZINC000005960783 187249106 /nfs/dbraw/zinc/24/91/06/187249106.db2.gz KVZDGLYVGSVRGC-UHFFFAOYSA-N 0 0 244.294 2.391 50 0 BEAARN Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(C(C)C)cc1 ZINC000032576365 343238124 /nfs/dbraw/zinc/23/81/24/343238124.db2.gz LWYIZUHWWCFKSS-UHFFFAOYSA-N 0 0 244.294 2.162 50 0 BEAARN CC(C)[C@H](C)NS(=O)(=O)Cc1ccccc1 ZINC000009256541 187249241 /nfs/dbraw/zinc/24/92/41/187249241.db2.gz LPWJYURZVCLRLY-NSHDSACASA-N 0 0 241.356 2.151 50 0 BEAARN CCC(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000010779081 187249478 /nfs/dbraw/zinc/24/94/78/187249478.db2.gz ACDUPAQOYSBPMG-UHFFFAOYSA-N 0 0 220.272 2.302 50 0 BEAARN CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC1CC1 ZINC000072302924 343242009 /nfs/dbraw/zinc/24/20/09/343242009.db2.gz LAARUEAVPOZANF-VHSXEESVSA-N 0 0 210.321 2.225 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC000032907083 343243734 /nfs/dbraw/zinc/24/37/34/343243734.db2.gz CNPUNKIUFHUBDA-IINYFYTJSA-N 0 0 245.322 2.247 50 0 BEAARN CC(=O)OCc1ccc2ccccc2n1 ZINC000012505517 187250320 /nfs/dbraw/zinc/25/03/20/187250320.db2.gz DNRJGKANFCXPLY-UHFFFAOYSA-N 0 0 201.225 2.298 50 0 BEAARN Nc1ncc(Br)cc1OC(F)F ZINC000033358741 343252239 /nfs/dbraw/zinc/25/22/39/343252239.db2.gz KSCDCUDCOXNYJD-UHFFFAOYSA-N 0 0 239.019 2.028 50 0 BEAARN COC(=O)c1ccccc1NC(=O)NC(C)C ZINC000035163907 343287562 /nfs/dbraw/zinc/28/75/62/343287562.db2.gz MZBHWUSZUUSAKL-UHFFFAOYSA-N 0 0 236.271 2.003 50 0 BEAARN CC(C)Cc1noc(-c2ccc(N(C)C)nc2)n1 ZINC000019760116 187252396 /nfs/dbraw/zinc/25/23/96/187252396.db2.gz RLEAXSDLQOWBGB-UHFFFAOYSA-N 0 0 246.314 2.396 50 0 BEAARN CC(C)CSc1nnnn1Cc1ccco1 ZINC000048406082 343262352 /nfs/dbraw/zinc/26/23/52/343262352.db2.gz UEVPXQFJKVHART-UHFFFAOYSA-N 0 0 238.316 2.063 50 0 BEAARN O=C(COC(F)(F)F)c1ccccc1 ZINC000034144346 343265619 /nfs/dbraw/zinc/26/56/19/343265619.db2.gz UIQNFNIICOIPOM-UHFFFAOYSA-N 0 0 204.147 2.406 50 0 BEAARN O=C(N[C@@H]1CCCC(=O)C1)OCc1ccccc1 ZINC000034371370 343268859 /nfs/dbraw/zinc/26/88/59/343268859.db2.gz NDTIOGCPRWWFJC-GFCCVEGCSA-N 0 0 247.294 2.425 50 0 BEAARN O=C1CS[C@H](c2cccc(Cl)c2)N1 ZINC000000192410 343268991 /nfs/dbraw/zinc/26/89/91/343268991.db2.gz LPMOPTZNRGZJAP-SECBINFHSA-N 0 0 213.689 2.202 50 0 BEAARN CC1=NN(C(=O)C(C)C)[C@@](O)(c2ccccc2)C1 ZINC000000108445 343269008 /nfs/dbraw/zinc/26/90/08/343269008.db2.gz UFPTWLYHJAIQLX-AWEZNQCLSA-N 0 0 246.310 2.096 50 0 BEAARN N=C1NN=C(c2ccccc2Cl)CS1 ZINC000000613123 343269883 /nfs/dbraw/zinc/26/98/83/343269883.db2.gz UYCJBJOFYAVSRA-UHFFFAOYSA-N 0 0 225.704 2.106 50 0 BEAARN COC(=O)Nc1ccccc1NC(=O)OC ZINC000002752517 343270724 /nfs/dbraw/zinc/27/07/24/343270724.db2.gz GTVVGJHYDWSUHA-UHFFFAOYSA-N 0 0 224.216 2.043 50 0 BEAARN Cc1nc(CN(C)C2CCCCC2)no1 ZINC000051127545 346932579 /nfs/dbraw/zinc/93/25/79/346932579.db2.gz DDGKNJPUGIESQL-UHFFFAOYSA-N 0 0 209.293 2.143 50 0 BEAARN Cc1cnn(C(=O)[C@]2(C)CC2(Cl)Cl)c1 ZINC000002872670 343272353 /nfs/dbraw/zinc/27/23/53/343272353.db2.gz BFZOISGRPLUCIP-QMMMGPOBSA-N 0 0 233.098 2.416 50 0 BEAARN Cc1cc(C)nc(C(=O)c2ccccc2)n1 ZINC000034493938 343272699 /nfs/dbraw/zinc/27/26/99/343272699.db2.gz BHKMWTUEXICEFG-UHFFFAOYSA-N 0 0 212.252 2.324 50 0 BEAARN CC(C)(O)c1ccc(Br)cn1 ZINC000034570806 343275126 /nfs/dbraw/zinc/27/51/26/343275126.db2.gz RDQCATQYMZDJLU-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 in-vitro BEAARN Nc1ccc(F)cc1-c1nnc2n1CCCCC2 ZINC000034962140 343281944 /nfs/dbraw/zinc/28/19/44/343281944.db2.gz LAKDNYXLOMMWNW-UHFFFAOYSA-N 0 0 246.289 2.393 50 0 BEAARN CCCc1nc([C@H](N)c2ccccc2)no1 ZINC000036763117 343323773 /nfs/dbraw/zinc/32/37/73/343323773.db2.gz TZZYEMOMCNGQRP-LLVKDONJSA-N 0 0 217.272 2.070 50 0 BEAARN COC(=O)c1ccccc1NCc1cccnc1 ZINC000036891402 343326770 /nfs/dbraw/zinc/32/67/70/343326770.db2.gz VXNNDQUODQPVGP-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN Nc1cccc(C(=O)NCc2cccs2)c1 ZINC000036984605 343329035 /nfs/dbraw/zinc/32/90/35/343329035.db2.gz LPHNZBMRZOBHES-UHFFFAOYSA-N 0 0 232.308 2.260 50 0 BEAARN CCOc1cc(Br)ccc1CO ZINC000036985507 343329797 /nfs/dbraw/zinc/32/97/97/343329797.db2.gz AZSHSHCSQMPIEB-UHFFFAOYSA-N 0 0 231.089 2.340 50 0 BEAARN C[C@H](C[NH2+]Cc1ccccn1)Oc1ccccn1 ZINC000035684105 343301846 /nfs/dbraw/zinc/30/18/46/343301846.db2.gz LDGOZLDQUMPDCZ-GFCCVEGCSA-N 0 0 243.310 2.034 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000036040096 343307273 /nfs/dbraw/zinc/30/72/73/343307273.db2.gz LBJSEPNOVVUVJA-VHSXEESVSA-N 0 0 229.320 2.062 50 0 BEAARN Cc1cnc2ccc(Br)cn12 ZINC000036259646 343313567 /nfs/dbraw/zinc/31/35/67/343313567.db2.gz MZGGKPUJKHDJAN-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN Cc1ccc2nc(=O)n3nc(C4CC4)[nH]c3c2c1 ZINC000036378538 343317083 /nfs/dbraw/zinc/31/70/83/343317083.db2.gz DHXMWASJGSWNRP-UHFFFAOYSA-N 0 0 240.266 2.169 50 0 BEAARN COc1cc(C)c(Br)c(CO)c1 ZINC000034527856 187257028 /nfs/dbraw/zinc/25/70/28/187257028.db2.gz OIUBVFPRPFQHKA-UHFFFAOYSA-N 0 0 231.089 2.258 50 0 BEAARN CC(C)N(CCCO)C(=O)OC(C)(C)C ZINC000038098579 343370953 /nfs/dbraw/zinc/37/09/53/343370953.db2.gz LLCYWHXMBXMVAS-UHFFFAOYSA-N 0 0 217.309 2.014 50 0 BEAARN COc1cc(CO)cc(C(F)(F)F)c1 ZINC000038529815 343376013 /nfs/dbraw/zinc/37/60/13/343376013.db2.gz ROACFQURKLEGKL-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN Nc1ncc(Br)cc1Cl ZINC000038540994 343377068 /nfs/dbraw/zinc/37/70/68/343377068.db2.gz VXCUGLKQXLPHKI-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CC(=O)N[C@@H](C)c1ccc(-c2cnn(C)c2)cc1 ZINC000032540655 187256165 /nfs/dbraw/zinc/25/61/65/187256165.db2.gz PTFJZYHOKFKYRO-JTQLQIEISA-N 0 0 243.310 2.284 50 0 BEAARN CC(=O)NCc1ccc(OC(C)C)cc1 ZINC000032497776 187256208 /nfs/dbraw/zinc/25/62/08/187256208.db2.gz JRKLQAORVCKWGN-UHFFFAOYSA-N 0 0 207.273 2.110 50 0 BEAARN Nc1ccn(Cc2cccc3cccnc32)n1 ZINC000037418756 343345195 /nfs/dbraw/zinc/34/51/95/343345195.db2.gz BFLZPDVOZLLVCR-UHFFFAOYSA-N 0 0 224.267 2.062 50 0 BEAARN O[C@H]1CCC[C@H]1N1CCCc2ccccc21 ZINC000037489604 343347079 /nfs/dbraw/zinc/34/70/79/343347079.db2.gz QUKWNFUUTBVFCD-KGLIPLIRSA-N 0 0 217.312 2.353 50 0 BEAARN CC(C)(C)OC(=O)CNc1ccccc1 ZINC000037488420 343347386 /nfs/dbraw/zinc/34/73/86/343347386.db2.gz MYBNTSLQHDGJFY-UHFFFAOYSA-N 0 0 207.273 2.440 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCCCC1=O ZINC000038674361 343378577 /nfs/dbraw/zinc/37/85/77/343378577.db2.gz JKQHPVNJIQJWGV-VIFPVBQESA-N 0 0 227.304 2.413 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)c2ccc[nH]2)c1 ZINC000032743668 187256813 /nfs/dbraw/zinc/25/68/13/187256813.db2.gz RTOSNLOBCQGPJE-UHFFFAOYSA-N 0 0 243.266 2.225 50 0 BEAARN c1nnc2ccc(NCCC3=CCCCC3)nn12 ZINC000032104848 187256843 /nfs/dbraw/zinc/25/68/43/187256843.db2.gz ZCCWOVMGFRIGFE-UHFFFAOYSA-N 0 0 243.314 2.427 50 0 BEAARN Cn1cc(NC2CCCCC2)ccc1=O ZINC000037785523 343354976 /nfs/dbraw/zinc/35/49/76/343354976.db2.gz HELWMYZRIQILHQ-UHFFFAOYSA-N 0 0 206.289 2.130 50 0 BEAARN Cc1cc2c(c(Br)c1)OCC2=O ZINC000035652489 187258151 /nfs/dbraw/zinc/25/81/51/187258151.db2.gz WHRFNPSFAATWGJ-UHFFFAOYSA-N 0 0 227.057 2.333 50 0 BEAARN COc1ccc(C(=O)OCC(F)F)cc1OC ZINC000071803584 343384464 /nfs/dbraw/zinc/38/44/64/343384464.db2.gz DQTHSWVZKPYOEZ-UHFFFAOYSA-N 0 0 246.209 2.126 50 0 BEAARN COC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000039268948 343387863 /nfs/dbraw/zinc/38/78/63/343387863.db2.gz OFHGAYNAKIWVOL-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COCc1ccccc1I ZINC000039414086 343389745 /nfs/dbraw/zinc/38/97/45/343389745.db2.gz UNLSSSIQXFBAQU-UHFFFAOYSA-N 0 0 248.063 2.438 50 0 BEAARN COC(=O)c1sc2ncc(C=O)cc2c1C ZINC000039947472 343393783 /nfs/dbraw/zinc/39/37/83/343393783.db2.gz STGGBWBCBIHFBJ-UHFFFAOYSA-N 0 0 235.264 2.204 50 0 BEAARN CCSc1ncc(Br)cn1 ZINC000040456715 343404787 /nfs/dbraw/zinc/40/47/87/343404787.db2.gz OBJMSKDZPPMOAV-UHFFFAOYSA-N 0 0 219.107 2.351 50 0 BEAARN O=C(c1ncco1)c1cc(F)c(F)c(F)c1 ZINC000043210585 343465969 /nfs/dbraw/zinc/46/59/69/343465969.db2.gz MYHHJSMHPYBAKE-UHFFFAOYSA-N 0 0 227.141 2.323 50 0 BEAARN CCNc1cccc(Br)n1 ZINC000038537216 187262494 /nfs/dbraw/zinc/26/24/94/187262494.db2.gz CIYRIUFUGDBQRY-UHFFFAOYSA-N 0 0 201.067 2.276 50 0 BEAARN COc1ccc(CN(C)C(=O)C2CCC2)cc1 ZINC000044818781 343515959 /nfs/dbraw/zinc/51/59/59/343515959.db2.gz GNXPREZISBCWJK-UHFFFAOYSA-N 0 0 233.311 2.454 50 0 BEAARN Clc1nc(Cl)n([C@H]2CCCCO2)n1 ZINC000044902864 343518466 /nfs/dbraw/zinc/51/84/66/343518466.db2.gz COQOQVXWURFPDT-RXMQYKEDSA-N 0 0 222.075 2.284 50 0 BEAARN CC(C)c1noc2nc(C3CC3)cc(C(N)=O)c21 ZINC000044919614 343518949 /nfs/dbraw/zinc/51/89/49/343518949.db2.gz XEJSPPQQJNLDBZ-UHFFFAOYSA-N 0 0 245.282 2.323 50 0 BEAARN Cc1cc(CN(C)C(=O)CCC(C)C)no1 ZINC000046059862 343538116 /nfs/dbraw/zinc/53/81/16/343538116.db2.gz ALAAMHJXTDOFEU-UHFFFAOYSA-N 0 0 224.304 2.378 50 0 BEAARN C[C@H](NC(=O)C1CCC1)c1cccnc1 ZINC000048325889 343577510 /nfs/dbraw/zinc/57/75/10/343577510.db2.gz XBUQULQPLCYUSL-VIFPVBQESA-N 0 0 204.273 2.059 50 0 BEAARN Cc1ccsc1C(=O)N1CCSCC1 ZINC000040542010 187264087 /nfs/dbraw/zinc/26/40/87/187264087.db2.gz RBWADKBBZXFKAY-UHFFFAOYSA-N 0 0 227.354 2.246 50 0 BEAARN Cc1cc2nc3c(c(C)n2n1)CCCC3 ZINC000712115401 537784364 /nfs/dbraw/zinc/78/43/64/537784364.db2.gz XQLVLZPZZVYAMU-UHFFFAOYSA-N 0 0 201.273 2.225 50 0 BEAARN CC(=O)c1cnc(-c2ccncc2)s1 ZINC000043796857 187267659 /nfs/dbraw/zinc/26/76/59/187267659.db2.gz QYGSUBZGHQZGEV-UHFFFAOYSA-N 0 0 204.254 2.408 50 0 BEAARN CC(=O)Oc1ccc(C(=O)c2ccco2)cc1 ZINC000043210684 187267237 /nfs/dbraw/zinc/26/72/37/187267237.db2.gz JWZPIVJRJIBWNL-UHFFFAOYSA-N 0 0 230.219 2.436 50 0 BEAARN O=c1[nH]c(-c2cccc(O)c2)nc2ccccc21 ZINC000048603426 187269604 /nfs/dbraw/zinc/26/96/04/187269604.db2.gz XMXQFRPDUIBGED-UHFFFAOYSA-N 0 0 238.246 2.296 50 0 BEAARN CC(=O)N(C)Cc1nc2ccccc2s1 ZINC000045237549 187269716 /nfs/dbraw/zinc/26/97/16/187269716.db2.gz URACTGLOQGWJGN-UHFFFAOYSA-N 0 0 220.297 2.275 50 0 BEAARN CC(C)(C)c1nc(CN2CCOCC2)cs1 ZINC000048056380 187269756 /nfs/dbraw/zinc/26/97/56/187269756.db2.gz XHVUPNITVPJJEY-UHFFFAOYSA-N 0 0 240.372 2.273 50 0 BEAARN CC(C)(C)c1ccc(N2CCNC(=O)CC2)cc1 ZINC000047843967 187269772 /nfs/dbraw/zinc/26/97/72/187269772.db2.gz SCASXOZCAPQTGT-UHFFFAOYSA-N 0 0 246.354 2.310 50 0 BEAARN CNC(=O)c1cccc(Br)c1C ZINC000083891082 343682423 /nfs/dbraw/zinc/68/24/23/343682423.db2.gz PEQJGPLAMMRABH-UHFFFAOYSA-N 0 0 228.089 2.117 50 0 BEAARN CCCC(=O)NCc1nc(-c2ccccc2)no1 ZINC000021783469 343739409 /nfs/dbraw/zinc/73/94/09/343739409.db2.gz BZRIHDOMRIBKCB-UHFFFAOYSA-N 0 0 245.282 2.153 50 0 BEAARN CC(C)=CCN1CCN(c2nccs2)CC1 ZINC000054635126 187272074 /nfs/dbraw/zinc/27/20/74/187272074.db2.gz BPONJZFHOHWGRU-UHFFFAOYSA-N 0 0 237.372 2.231 50 0 BEAARN C[C@@H](NC(=O)NC1CC1)c1cccc(F)c1 ZINC000012977675 537813087 /nfs/dbraw/zinc/81/30/87/537813087.db2.gz SPPZXQNQUUFSNT-MRVPVSSYSA-N 0 0 222.263 2.348 50 0 BEAARN O=C1N=NC(Cc2ccc(Cl)cc2)O1 ZINC000063110918 187274003 /nfs/dbraw/zinc/27/40/03/187274003.db2.gz NXINMZRUERWNOM-UHFFFAOYSA-N 0 0 210.620 2.019 50 0 BEAARN COc1cc(Br)c(N)cc1F ZINC000070451189 187274702 /nfs/dbraw/zinc/27/47/02/187274702.db2.gz SVYWEZZHXINQHC-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN CC(=O)c1ccc(Br)c(O)c1 ZINC000070451301 187274902 /nfs/dbraw/zinc/27/49/02/187274902.db2.gz DLSQLGHKHPBHQB-UHFFFAOYSA-N 0 0 215.046 2.357 50 0 BEAARN Cc1ccc(CNC(=O)C2CCC2)cc1 ZINC000000364155 178591369 /nfs/dbraw/zinc/59/13/69/178591369.db2.gz FVJNGJZXQYNASP-UHFFFAOYSA-N 0 0 203.285 2.411 50 0 BEAARN C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCCC1 ZINC000072025389 187276518 /nfs/dbraw/zinc/27/65/18/187276518.db2.gz XSTGZKPQSZFJFN-LLVKDONJSA-N 0 0 248.326 2.129 50 0 BEAARN O=c1oc2cccnc2cc1-c1ccncc1 ZINC000071774198 187276614 /nfs/dbraw/zinc/27/66/14/187276614.db2.gz FPZPSWLBESFAME-UHFFFAOYSA-N 0 0 224.219 2.250 50 0 BEAARN CC1(C)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000071774229 187276678 /nfs/dbraw/zinc/27/66/78/187276678.db2.gz KKUDEZRMGCRZNF-SNVBAGLBSA-N 0 0 210.298 2.259 50 0 BEAARN Cc1ccc(CNC(=O)c2scnc2C)o1 ZINC000020204965 178599224 /nfs/dbraw/zinc/59/92/24/178599224.db2.gz QVOMDPTZAXKDOL-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN Cn1ncnc1NCc1ccccc1Cl ZINC000095990328 343884544 /nfs/dbraw/zinc/88/45/44/343884544.db2.gz YYQKBNYTOGSNPH-UHFFFAOYSA-N 0 0 222.679 2.081 50 0 BEAARN CC(C)CCn1cnc(Br)n1 ZINC000066442602 343869592 /nfs/dbraw/zinc/86/95/92/343869592.db2.gz VAQHMZSHCLSELL-UHFFFAOYSA-N 0 0 218.098 2.087 50 0 BEAARN O=C(CC1CC(F)(F)C1)Nc1ccccn1 ZINC000334655640 343899546 /nfs/dbraw/zinc/89/95/46/343899546.db2.gz WQSWDCKNABGNQU-UHFFFAOYSA-N 0 0 226.226 2.456 50 0 BEAARN Cc1ncccc1C(=O)N[C@@H](C)C(C)(F)F ZINC000334694776 343901069 /nfs/dbraw/zinc/90/10/69/343901069.db2.gz BVQIFSPAXRXZSC-QMMMGPOBSA-N 0 0 228.242 2.164 50 0 BEAARN CC(=O)COC(=O)c1ccc2ccccc2c1O ZINC000000563632 347017888 /nfs/dbraw/zinc/01/78/88/347017888.db2.gz HIRUXWRSRRNOMP-UHFFFAOYSA-N 0 0 244.246 2.291 50 0 BEAARN CCc1nc(Cn2ccnc2[C@H](C)CC)no1 ZINC000071614177 343965730 /nfs/dbraw/zinc/96/57/30/343965730.db2.gz GQWQAMCYPGETKB-SECBINFHSA-N 0 0 234.303 2.390 50 0 BEAARN COC(=O)c1cc(Cl)cc(OC)c1 ZINC000165811570 344068400 /nfs/dbraw/zinc/06/84/00/344068400.db2.gz CDPLBAAUZDLTES-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN Nc1cnc2ccc(C(F)(F)F)cc2n1 ZINC000085388525 187285576 /nfs/dbraw/zinc/28/55/76/187285576.db2.gz GNIUDFFVKMMRPO-UHFFFAOYSA-N 0 0 213.162 2.231 50 0 BEAARN CC(C)OC(=O)c1ccc(-n2cccc2)nc1 ZINC000079055953 344106112 /nfs/dbraw/zinc/10/61/12/344106112.db2.gz ISJQCVGGICNTEJ-UHFFFAOYSA-N 0 0 230.267 2.438 50 0 BEAARN Cc1cc(NC(=O)c2ccc(N)cc2F)ccn1 ZINC000092348452 344099481 /nfs/dbraw/zinc/09/94/81/344099481.db2.gz YUIRFBLDXDZFHE-UHFFFAOYSA-N 0 0 245.257 2.364 50 0 BEAARN CC(C)C[C@@H]([NH2+]Cc1nncn1C)C(C)(C)C ZINC000095987503 187288644 /nfs/dbraw/zinc/28/86/44/187288644.db2.gz PVUJPZFIAFPOHL-LLVKDONJSA-N 0 0 238.379 2.366 50 0 BEAARN Cc1cc(C(=O)NC[C@@]2(O)C=CCCC2)c(C)o1 ZINC000585146649 344207383 /nfs/dbraw/zinc/20/73/83/344207383.db2.gz WUTNWKYDXCIASS-CQSZACIVSA-N 0 0 249.310 2.097 50 0 BEAARN O=C(NC[C@]1(O)C=CCCC1)c1cccc(F)c1 ZINC000585146610 344208253 /nfs/dbraw/zinc/20/82/53/344208253.db2.gz FEANMFFDZRLINT-AWEZNQCLSA-N 0 0 249.285 2.027 50 0 BEAARN CNC(=O)c1ccccc1-c1cncc(OC)c1 ZINC000096162765 187289217 /nfs/dbraw/zinc/28/92/17/187289217.db2.gz HUZRFTHOYHXSJG-UHFFFAOYSA-N 0 0 242.278 2.117 50 0 BEAARN Cc1cccc(NCCOc2cccnc2)n1 ZINC000097163305 187289410 /nfs/dbraw/zinc/28/94/10/187289410.db2.gz ZIRRBZMAJDGLEX-UHFFFAOYSA-N 0 0 229.283 2.276 50 0 BEAARN CCc1cc2c(cc1[C@@H](C)O)OCCO2 ZINC000004811957 344274447 /nfs/dbraw/zinc/27/44/47/344274447.db2.gz STISAJRTJQJEFS-MRVPVSSYSA-N 0 0 208.257 2.074 50 0 BEAARN Cc1cc(C(=O)NCCc2cccs2)no1 ZINC000043945619 344322486 /nfs/dbraw/zinc/32/24/86/344322486.db2.gz QQFXMTJXMIGBBR-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN NN=c1[n-]nc(-c2ccc(Cl)cc2)s1 ZINC000027990573 344323727 /nfs/dbraw/zinc/32/37/27/344323727.db2.gz ZMWACMXYZYHWDA-UHFFFAOYSA-N 0 0 226.692 2.144 50 0 BEAARN O=C(OC1CCCC1)c1ccc(O)cc1 ZINC000041580669 344435728 /nfs/dbraw/zinc/43/57/28/344435728.db2.gz ABBAWHKKORANOZ-UHFFFAOYSA-N 0 0 206.241 2.492 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCc1cc(F)ccc1F ZINC000084686912 344460693 /nfs/dbraw/zinc/46/06/93/344460693.db2.gz GYWCRMAOCIDPNC-OIBJUYFYSA-N 0 0 225.238 2.237 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCc1cc(F)ccc1F ZINC000084686909 344460695 /nfs/dbraw/zinc/46/06/95/344460695.db2.gz GYWCRMAOCIDPNC-XCBNKYQSSA-N 0 0 225.238 2.237 50 0 BEAARN Cn1c2ccccc2c2c1-c1nonc1CC2 ZINC000000102092 344468759 /nfs/dbraw/zinc/46/87/59/344468759.db2.gz AJKVMRWFTXAMFH-UHFFFAOYSA-N 0 0 225.251 2.327 50 0 BEAARN C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[C@H]2O)CC(C)(C)C1 ZINC000425050345 192071878 /nfs/dbraw/zinc/07/18/78/192071878.db2.gz NQSXMJSMRBSUIJ-WRWGMCAJSA-N 0 0 239.359 2.088 50 0 BEAARN Cc1cc(C)n(CNc2nccs2)n1 ZINC000000140180 344564628 /nfs/dbraw/zinc/56/46/28/344564628.db2.gz SBUOEMVPDZVZKJ-UHFFFAOYSA-N 0 0 208.290 2.026 50 0 BEAARN Cc1nnc(SCc2cc(C)cc(C)c2)n1N ZINC000000148913 344568456 /nfs/dbraw/zinc/56/84/56/344568456.db2.gz YGRRSBUBFZKLNH-UHFFFAOYSA-N 0 0 248.355 2.209 50 0 BEAARN Cc1ccc(F)cc1-c1cnc(N)cn1 ZINC000065370825 178681031 /nfs/dbraw/zinc/68/10/31/178681031.db2.gz NKPUGWBETVNCDB-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN CC(C)(C)[C@H]1CCc2n[nH]c(CO)c2C1 ZINC000167940061 349914356 /nfs/dbraw/zinc/91/43/56/349914356.db2.gz MABLHCFCPGDDNJ-QMMMGPOBSA-N 0 0 208.305 2.053 50 0 BEAARN Cc1csc2c1nc1n(c2=O)CCCCC1 ZINC000000178935 344600134 /nfs/dbraw/zinc/60/01/34/344600134.db2.gz NTPLSQMFBRPOSK-UHFFFAOYSA-N 0 0 234.324 2.493 50 0 BEAARN Cc1ccc(I)cc1O ZINC000072266583 178694501 /nfs/dbraw/zinc/69/45/01/178694501.db2.gz VVVBRLLERZUWBH-UHFFFAOYSA-N 0 0 234.036 2.305 50 0 BEAARN COc1ccc(OC(=O)NC(C)C)cc1 ZINC000000384813 344739673 /nfs/dbraw/zinc/73/96/73/344739673.db2.gz XPQHGJFWMHAMIL-UHFFFAOYSA-N 0 0 209.245 2.192 50 0 BEAARN Fc1cnc(NCc2cccs2)nc1 ZINC000158588392 344685623 /nfs/dbraw/zinc/68/56/23/344685623.db2.gz ILYMWNFSJDQKDM-UHFFFAOYSA-N 0 0 209.249 2.289 50 0 BEAARN O=C(c1ccccc1)c1ccc2n[nH]nc2c1 ZINC000000344404 344714648 /nfs/dbraw/zinc/71/46/48/344714648.db2.gz HHGIHMOGFBYVIK-UHFFFAOYSA-N 0 0 223.235 2.189 50 0 BEAARN C=CC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000050599516 344718631 /nfs/dbraw/zinc/71/86/31/344718631.db2.gz HFKHWUCEAWYFEM-GFCCVEGCSA-N 0 0 201.269 2.189 50 0 BEAARN CSc1cc(-c2ccccc2)nc(N)n1 ZINC000005721345 347084951 /nfs/dbraw/zinc/08/49/51/347084951.db2.gz SRKREBLAPNJMBZ-UHFFFAOYSA-N 0 0 217.297 2.448 50 0 BEAARN O=c1[nH]c2cccnc2c2sccc21 ZINC000033684480 344901772 /nfs/dbraw/zinc/90/17/72/344901772.db2.gz BCPQLVFTKLWFDG-UHFFFAOYSA-N 0 0 202.238 2.138 50 0 BEAARN COC(=O)c1noc(C)c1-c1ccccc1 ZINC000033835248 344958185 /nfs/dbraw/zinc/95/81/85/344958185.db2.gz UOTAEXQJZQHYRU-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN CC(C)c1nccn1C1CN(C(=O)C2CCC2)C1 ZINC000409419758 344966130 /nfs/dbraw/zinc/96/61/30/344966130.db2.gz YNFLRCVKBPVTII-UHFFFAOYSA-N 0 0 247.342 2.190 50 0 BEAARN Cc1cc(NC2CC2)cc(=O)n1C1CC1 ZINC000145875221 344984661 /nfs/dbraw/zinc/98/46/61/344984661.db2.gz NZDZOULMIRRNFH-UHFFFAOYSA-N 0 0 204.273 2.066 50 0 BEAARN C[C@@H](NS(C)(=O)=O)c1cc2ccccc2o1 ZINC000048840450 344997534 /nfs/dbraw/zinc/99/75/34/344997534.db2.gz OUAOQABGAYMHLF-MRVPVSSYSA-N 0 0 239.296 2.043 50 0 BEAARN O=C(NCC(F)F)c1ccccc1Cl ZINC000073163718 345004468 /nfs/dbraw/zinc/00/44/68/345004468.db2.gz FLVXJPKVXQCRIP-UHFFFAOYSA-N 0 0 219.618 2.335 50 0 BEAARN C[C@H](CC(=O)N1CCN(C)CC1)CC(C)(C)C ZINC000248123720 345047943 /nfs/dbraw/zinc/04/79/43/345047943.db2.gz KVWIAEHILMGOEI-GFCCVEGCSA-N 0 0 240.391 2.223 50 0 BEAARN Fc1ccc(Nc2ncnc3n[nH]cc32)cc1 ZINC000011856413 345038162 /nfs/dbraw/zinc/03/81/62/345038162.db2.gz YJQDOPOJXOSRQG-UHFFFAOYSA-N 0 0 229.218 2.236 50 0 BEAARN CCc1cc(=O)[nH]c(Nc2ccc(C)cc2)n1 ZINC000011903433 345061285 /nfs/dbraw/zinc/06/12/85/345061285.db2.gz FITAYIRWVOCEJS-UHFFFAOYSA-N 0 0 229.283 2.384 50 0 BEAARN CC(C)C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000011917222 345068093 /nfs/dbraw/zinc/06/80/93/345068093.db2.gz NWCNUSSKEOORGG-MRVPVSSYSA-N 0 0 222.288 2.394 50 0 BEAARN Cc1cc(O)ccc1NC(=O)NCC(F)(F)F ZINC000158017914 187300723 /nfs/dbraw/zinc/30/07/23/187300723.db2.gz GCFIGALMWCECSI-UHFFFAOYSA-N 0 0 248.204 2.384 50 0 BEAARN Cc1c(C[C@H]([NH3+])C(=O)[O-])sc2ccccc12 ZINC000000128268 187300771 /nfs/dbraw/zinc/30/07/71/187300771.db2.gz IHEGSBLMOKRTJL-VIFPVBQESA-N 0 0 235.308 2.164 50 0 BEAARN Cc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000000029132 178824432 /nfs/dbraw/zinc/82/44/32/178824432.db2.gz GXUUMIXUNMJARY-UHFFFAOYSA-N 0 0 239.340 2.216 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2cnn(C)c2C)o1 ZINC000040487847 178836863 /nfs/dbraw/zinc/83/68/63/178836863.db2.gz UCOAZCHFYMTJLD-SECBINFHSA-N 0 0 247.298 2.121 50 0 BEAARN CC(=O)Nc1ncc2c(Cl)cccc2n1 ZINC000001392367 187301465 /nfs/dbraw/zinc/30/14/65/187301465.db2.gz JODPDVRVOPYZMU-UHFFFAOYSA-N 0 0 221.647 2.242 50 0 BEAARN O=C1NC(=O)C(=Cc2ccccc2)S1 ZINC000001042221 187301887 /nfs/dbraw/zinc/30/18/87/187301887.db2.gz SGIZECXZFLAGBW-SOFGYWHQSA-N 0 0 205.238 2.011 50 0 BEAARN Cc1cccc(CC(=O)N2CCCC2)c1 ZINC000006699402 187302910 /nfs/dbraw/zinc/30/29/10/187302910.db2.gz QUHDMVNOCRNKHU-UHFFFAOYSA-N 0 0 203.285 2.160 50 0 BEAARN CCCC(=O)OCc1cc2ccccc2[nH]c1=O ZINC000005164382 345408483 /nfs/dbraw/zinc/40/84/83/345408483.db2.gz VBYSMOLPDIGHED-UHFFFAOYSA-N 0 0 245.278 2.371 50 0 BEAARN Cc1oncc1C(=O)NC1CCCCC1 ZINC000006184746 187303778 /nfs/dbraw/zinc/30/37/78/187303778.db2.gz CLGIQVNBJWCESK-UHFFFAOYSA-N 0 0 208.261 2.046 50 0 BEAARN C[C@@H]1CCOCCN1c1nc2ccccc2o1 ZINC000089269418 345552811 /nfs/dbraw/zinc/55/28/11/345552811.db2.gz PQGRFCHVQMZGOE-SNVBAGLBSA-N 0 0 232.283 2.443 50 0 BEAARN O=C(c1ccon1)N1CC[C@@H]2CCCC[C@H]21 ZINC000072057294 537902733 /nfs/dbraw/zinc/90/27/33/537902733.db2.gz ZZSDUACRBVLCLG-GXSJLCMTSA-N 0 0 220.272 2.079 50 0 BEAARN COC1(C)CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000095452937 345686259 /nfs/dbraw/zinc/68/62/59/345686259.db2.gz IKEAOSDGRUWRGO-UHFFFAOYSA-N 0 0 238.262 2.078 50 0 BEAARN CC(C)=CCOC(=O)c1cncc(F)c1 ZINC000181463809 187309332 /nfs/dbraw/zinc/30/93/32/187309332.db2.gz AQNAADFCDLIXMQ-UHFFFAOYSA-N 0 0 209.220 2.344 50 0 BEAARN NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000143412492 345706676 /nfs/dbraw/zinc/70/66/76/345706676.db2.gz SFYUBSGKPWDRCP-LLVKDONJSA-N 0 0 222.263 2.431 50 0 BEAARN CCO[C@@H](C)C(=O)NCCSC(C)(C)C ZINC000066736722 345708696 /nfs/dbraw/zinc/70/86/96/345708696.db2.gz HNJPOQYCQHIWPT-VIFPVBQESA-N 0 0 233.377 2.059 50 0 BEAARN CCC(=O)N(C)[C@H](COC)Cc1ccccc1 ZINC000189490872 345825096 /nfs/dbraw/zinc/82/50/96/345825096.db2.gz MAJXOLPRACPPDN-ZDUSSCGKSA-N 0 0 235.327 2.113 50 0 BEAARN CC(C)=CCN1CCN(C(=O)C(C)(C)C)CC1 ZINC000075636006 345865257 /nfs/dbraw/zinc/86/52/57/345865257.db2.gz NKSLFWRLUITYMW-UHFFFAOYSA-N 0 0 238.375 2.143 50 0 BEAARN C[C@@H](C1CCC1)N(C)C(=O)C1=CCCCO1 ZINC000170591485 345870400 /nfs/dbraw/zinc/87/04/00/345870400.db2.gz PRZUSGUZKGPCGX-JTQLQIEISA-N 0 0 223.316 2.328 50 0 BEAARN CCCC[C@H](CC)CNC(=O)N[C@@H](CC)CO ZINC000084742942 345926018 /nfs/dbraw/zinc/92/60/18/345926018.db2.gz LUCJWJGLCCSFHO-RYUDHWBXSA-N 0 0 244.379 2.273 50 0 BEAARN CCOCCOc1c(F)cccc1OC ZINC000181727424 345931486 /nfs/dbraw/zinc/93/14/86/345931486.db2.gz ABBWKUIGKYDXEO-UHFFFAOYSA-N 0 0 214.236 2.250 50 0 BEAARN CC(C)(C(=O)N1CCC=C(F)C1)C(F)F ZINC000336062121 535013220 /nfs/dbraw/zinc/01/32/20/535013220.db2.gz FUNJXTYXVCPAPQ-UHFFFAOYSA-N 0 0 221.222 2.363 50 0 BEAARN Cc1ccc(F)cc1Cn1ccc([C@H](C)O)n1 ZINC000187227539 345967555 /nfs/dbraw/zinc/96/75/55/345967555.db2.gz MBGOUIHXIMLCTL-JTQLQIEISA-N 0 0 234.274 2.432 50 0 BEAARN Cc1ccc(CN2C(=O)[C@@H]3CCC[C@H]3C2=O)cc1 ZINC000685939824 537928354 /nfs/dbraw/zinc/92/83/54/537928354.db2.gz UDLOEPVMFDYUQX-CHWSQXEVSA-N 0 0 243.306 2.280 50 0 BEAARN C1=N[C@H](Cc2cccc3ccccc32)NC1 ZINC000019328387 187313662 /nfs/dbraw/zinc/31/36/62/187313662.db2.gz GFYMNRJBXUHBEO-AWEZNQCLSA-N 0 0 210.280 2.382 50 0 BEAARN Cc1ccc(NCc2nccnc2C)c(C)n1 ZINC000685940243 537930421 /nfs/dbraw/zinc/93/04/21/537930421.db2.gz ZTKZOFWDEPPGBG-UHFFFAOYSA-N 0 0 228.299 2.409 50 0 BEAARN Cc1scnc1NC(=O)c1cccc(N)c1 ZINC000685942027 537931076 /nfs/dbraw/zinc/93/10/76/537931076.db2.gz ANONEJKRKVMEGW-UHFFFAOYSA-N 0 0 233.296 2.286 50 0 BEAARN Cc1c(N)cccc1C(=O)N1CCCCC1 ZINC000008703641 187362403 /nfs/dbraw/zinc/36/24/03/187362403.db2.gz GEBQWZUAEORMMQ-UHFFFAOYSA-N 0 0 218.300 2.203 50 0 BEAARN C[C@@H]1CCO[C@@H](c2ccc3c(c2)OCO3)O1 ZINC000001031418 346176532 /nfs/dbraw/zinc/17/65/32/346176532.db2.gz UHMDSJXMGSTUIG-PRHODGIISA-N 0 0 222.240 2.239 50 0 BEAARN CC1(C)Cc2c(c3ccccc3[nH]c2=O)O1 ZINC000005385260 346204531 /nfs/dbraw/zinc/20/45/31/346204531.db2.gz ACXSRSHUXHKJBV-UHFFFAOYSA-N 0 0 215.252 2.242 50 0 BEAARN Cc1cccc(C(=O)N2CCO[C@H](C)C2)c1C ZINC000012927511 179009674 /nfs/dbraw/zinc/00/96/74/179009674.db2.gz GHDRMTJKFRTOEF-LLVKDONJSA-N 0 0 233.311 2.164 50 0 BEAARN CC1(C)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002928051 346226133 /nfs/dbraw/zinc/22/61/33/346226133.db2.gz XHSNSBZQUPIVRL-UHFFFAOYSA-N 0 0 245.731 2.123 50 0 BEAARN CC(C)(C)Nc1nc2ccccc2c(=O)[nH]1 ZINC000005481430 346239672 /nfs/dbraw/zinc/23/96/72/346239672.db2.gz KCOLJSHJPIQGCY-UHFFFAOYSA-N 0 0 217.272 2.134 50 0 BEAARN CN(c1ccccc1)c1ncnc2n[nH]cc21 ZINC000005502627 346242915 /nfs/dbraw/zinc/24/29/15/346242915.db2.gz NFRNOXHMHWKKAX-UHFFFAOYSA-N 0 0 225.255 2.121 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005555643 346252170 /nfs/dbraw/zinc/25/21/70/346252170.db2.gz IUNLWISKZNCPQG-APPZFPTMSA-N 0 0 219.240 2.010 50 0 BEAARN Cc1nc(N)sc1-c1cncc(C2CC2)n1 ZINC000095629773 346252250 /nfs/dbraw/zinc/25/22/50/346252250.db2.gz OQKGUKVQNGLFNM-UHFFFAOYSA-N 0 0 232.312 2.368 50 0 BEAARN C[C@H](CCc1ccco1)N(C)C(=O)N(C)C ZINC000005557435 346253329 /nfs/dbraw/zinc/25/33/29/346253329.db2.gz VDZGFEAVYDLUOC-SNVBAGLBSA-N 0 0 224.304 2.214 50 0 BEAARN Cc1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000000795796 179026039 /nfs/dbraw/zinc/02/60/39/179026039.db2.gz OLBVOQDDJPPYPC-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1cccc(C(=O)NCc2ccccn2)c1O ZINC000001440429 179019163 /nfs/dbraw/zinc/01/91/63/179019163.db2.gz NWUBWLGSLDVIHI-UHFFFAOYSA-N 0 0 242.278 2.026 50 0 BEAARN CCCCS[C@H]1C[C@H](C)NC(=S)N1 ZINC000002588196 346280045 /nfs/dbraw/zinc/28/00/45/346280045.db2.gz BLQUFVLATCMVGG-YUMQZZPRSA-N 0 0 218.391 2.102 50 0 BEAARN Nc1cccnc1Sc1cccnc1 ZINC000005635240 346291815 /nfs/dbraw/zinc/29/18/15/346291815.db2.gz QSQPHLTXJMDVAO-UHFFFAOYSA-N 0 0 203.270 2.210 50 0 BEAARN Cc1ccc(F)cc1C(=O)O[C@H]1CCOC1 ZINC000078612243 537967799 /nfs/dbraw/zinc/96/77/99/537967799.db2.gz VYPSIJAMNFYWCA-JTQLQIEISA-N 0 0 224.231 2.080 50 0 BEAARN Cc1cccc(CC(=O)Nc2nncs2)c1 ZINC000006699150 179052519 /nfs/dbraw/zinc/05/25/19/179052519.db2.gz SQMOBFFJAWJDFD-UHFFFAOYSA-N 0 0 233.296 2.028 50 0 BEAARN Cc1cccc(CC(=O)NCc2ccco2)c1 ZINC000006726115 179053057 /nfs/dbraw/zinc/05/30/57/179053057.db2.gz PRRUVXDXXGKPLS-UHFFFAOYSA-N 0 0 229.279 2.447 50 0 BEAARN Cc1cccc(C2(C(N)=O)CCCC2)c1 ZINC000069620410 179050210 /nfs/dbraw/zinc/05/02/10/179050210.db2.gz SNWJWFDAADBMRO-UHFFFAOYSA-N 0 0 203.285 2.292 50 0 BEAARN O=C(c1ccco1)n1cnc2ccccc21 ZINC000000117023 346401232 /nfs/dbraw/zinc/40/12/32/346401232.db2.gz MKTOOJYQEIEQNP-UHFFFAOYSA-N 0 0 212.208 2.318 50 0 BEAARN Cc1nc(C)n(C)c(=O)c1-c1ccccc1 ZINC000000266395 346406305 /nfs/dbraw/zinc/40/63/05/346406305.db2.gz OMEQABFSMVKBOX-UHFFFAOYSA-N 0 0 214.268 2.064 50 0 BEAARN Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000020266768 179073811 /nfs/dbraw/zinc/07/38/11/179073811.db2.gz JANXWXFEKJLETQ-CYBMUJFWSA-N 0 0 233.311 2.292 50 0 BEAARN Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000003747888 179077889 /nfs/dbraw/zinc/07/78/89/179077889.db2.gz WFOOVVKHILZLJI-LBPRGKRZSA-N 0 0 219.284 2.044 50 0 BEAARN Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000032760761 179087443 /nfs/dbraw/zinc/08/74/43/179087443.db2.gz JXKCBEJQWITBPW-CMPLNLGQSA-N 0 0 203.285 2.267 50 0 BEAARN Cc1cccc(CNC(=O)c2ccccn2)c1 ZINC000031107424 179087780 /nfs/dbraw/zinc/08/77/80/179087780.db2.gz PWZYZDZREGHOCS-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1cccc(CNCc2cccc(C)n2)n1 ZINC000034572295 179093532 /nfs/dbraw/zinc/09/35/32/179093532.db2.gz HUMBKTHJRGPSNI-UHFFFAOYSA-N 0 0 227.311 2.383 50 0 BEAARN Cc1nnc2c3c(C)c(C)sc3ncn12 ZINC000003267086 346560405 /nfs/dbraw/zinc/56/04/05/346560405.db2.gz HTCPGZWIKPAMQF-UHFFFAOYSA-N 0 0 218.285 2.264 50 0 BEAARN C[C@@H](C(=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000082343105 537983041 /nfs/dbraw/zinc/98/30/41/537983041.db2.gz HBRSSCLTCVYAAK-YPMHNXCESA-N 0 0 233.311 2.229 50 0 BEAARN Cc1ccsc1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000003755739 346579921 /nfs/dbraw/zinc/57/99/21/346579921.db2.gz ANXDNQWMFVVFPN-SNVBAGLBSA-N 0 0 239.340 2.496 50 0 BEAARN C(=C/c1ccccc1)\c1nn2cnnc2s1 ZINC000004487510 346601473 /nfs/dbraw/zinc/60/14/73/346601473.db2.gz SOIGPUYMCCVGOJ-VOTSOKGWSA-N 0 0 228.280 2.356 50 0 BEAARN Cc1cccc(NC(=O)CCNC(=O)C(C)C)c1 ZINC000057291845 179125941 /nfs/dbraw/zinc/12/59/41/179125941.db2.gz YFOCCHPSBJNILB-UHFFFAOYSA-N 0 0 248.326 2.096 50 0 BEAARN CC(C)C(=O)NCCCc1ccccc1 ZINC000004755071 346607653 /nfs/dbraw/zinc/60/76/53/346607653.db2.gz JTACLVOGBJULJZ-UHFFFAOYSA-N 0 0 205.301 2.391 50 0 BEAARN Cc1cccc(NC(=O)C[C@H]2C[C@H](C)OC2=O)c1 ZINC000000207984 179128664 /nfs/dbraw/zinc/12/86/64/179128664.db2.gz FCIGZCIFYFVMOK-WDEREUQCSA-N 0 0 247.294 2.275 50 0 BEAARN Cc1cccc(NC(=O)[C@H](C)SCCO)c1 ZINC000033045875 179140067 /nfs/dbraw/zinc/14/00/67/179140067.db2.gz QTTHWHLMAQISMV-JTQLQIEISA-N 0 0 239.340 2.048 50 0 BEAARN CONC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000167094855 346698177 /nfs/dbraw/zinc/69/81/77/346698177.db2.gz FSXVHLJWNXINFT-UWVGGRQHSA-N 0 0 238.287 2.324 50 0 BEAARN CCCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000003103942 168563860 /nfs/dbraw/zinc/56/38/60/168563860.db2.gz BQJRQWXGHXJDHF-UHFFFAOYSA-N 0 0 221.256 2.212 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1F ZINC000010030141 346758929 /nfs/dbraw/zinc/75/89/29/346758929.db2.gz GHZREYDCAKEYHR-SSDOTTSWSA-N 0 0 249.282 2.042 50 0 BEAARN Cc1cccc(N[C@H]2C=CS(=O)(=O)C2)c1C ZINC000002843580 179157311 /nfs/dbraw/zinc/15/73/11/179157311.db2.gz SEVZNAPWHJPPPW-NSHDSACASA-N 0 0 237.324 2.026 50 0 BEAARN O=C1NCCCN1c1cccc(Cl)c1 ZINC000169130515 346753806 /nfs/dbraw/zinc/75/38/06/346753806.db2.gz WZLYGKQITJBJMP-UHFFFAOYSA-N 0 0 210.664 2.260 50 0 BEAARN Cc1cccc(OCC(=O)Nc2cccnc2)c1 ZINC000000327279 179162912 /nfs/dbraw/zinc/16/29/12/179162912.db2.gz FVXQDOTXFCCGIE-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN Cc1cccc(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000046346296 179173868 /nfs/dbraw/zinc/17/38/68/179173868.db2.gz IYSWRFJOFQHBBK-NSHDSACASA-N 0 0 221.300 2.287 50 0 BEAARN Cc1cccc([C@@H](O)c2c[nH]cn2)c1C ZINC000098210439 179188546 /nfs/dbraw/zinc/18/85/46/179188546.db2.gz PRCKVXIQIZUDDK-GFCCVEGCSA-N 0 0 202.257 2.108 50 0 BEAARN Cc1cccc([C@H](C(=O)[O-])[NH+]2CCCC2)c1 ZINC000016745285 179192918 /nfs/dbraw/zinc/19/29/18/179192918.db2.gz YXYDVDIAHHXZKT-GFCCVEGCSA-N 0 0 219.284 2.217 50 0 BEAARN Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)[O-])c1C ZINC000261567826 179197680 /nfs/dbraw/zinc/19/76/80/179197680.db2.gz FEIAWAAKHWUUPE-WDEREUQCSA-N 0 0 221.300 2.427 50 0 BEAARN CCCC(=O)Nc1nc(C(=O)OCC)cs1 ZINC000003202654 168568814 /nfs/dbraw/zinc/56/88/14/168568814.db2.gz KVTPGKJQXZMOGB-UHFFFAOYSA-N 0 0 242.300 2.058 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000013939015 362818017 /nfs/dbraw/zinc/81/80/17/362818017.db2.gz UTOWMFMGBMRCDI-SSDOTTSWSA-N 0 0 249.282 2.042 50 0 BEAARN CSc1ccc([C@H](C)NS(C)(=O)=O)cc1 ZINC000020029899 347401933 /nfs/dbraw/zinc/40/19/33/347401933.db2.gz CUDIFEOEUZAXLP-QMMMGPOBSA-N 0 0 245.369 2.019 50 0 BEAARN CSc1ccc([C@@H](C)NS(C)(=O)=O)cc1 ZINC000020029898 347402174 /nfs/dbraw/zinc/40/21/74/347402174.db2.gz CUDIFEOEUZAXLP-MRVPVSSYSA-N 0 0 245.369 2.019 50 0 BEAARN CCS(=O)(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000048904384 347449416 /nfs/dbraw/zinc/44/94/16/347449416.db2.gz OYSKLLSDMGYLTM-LBPRGKRZSA-N 0 0 239.340 2.077 50 0 BEAARN Cc1nnc2sc(-c3ccccc3C)nn12 ZINC000000385102 179240206 /nfs/dbraw/zinc/24/02/06/179240206.db2.gz QINDEGKLIIQIDN-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN Cn1cccc1C(=O)Nc1ccc2c(c1)CCO2 ZINC000040068279 347491147 /nfs/dbraw/zinc/49/11/47/347491147.db2.gz RBYTXNMDJNWYLM-UHFFFAOYSA-N 0 0 242.278 2.212 50 0 BEAARN Cc1ccccc1-n1nnnc1SC(F)F ZINC000003331368 179243314 /nfs/dbraw/zinc/24/33/14/179243314.db2.gz HCGQACKCKVNXQS-UHFFFAOYSA-N 0 0 242.254 2.285 50 0 BEAARN Cc1cs/c(=N\c2ccccc2C)n1CCO ZINC000009317462 179243953 /nfs/dbraw/zinc/24/39/53/179243953.db2.gz GCJRTDSOHUDMPY-YPKPFQOOSA-N 0 0 248.351 2.391 50 0 BEAARN Cc1ccccc1/C=C\C(=O)NC1CC1 ZINC000096315608 179245095 /nfs/dbraw/zinc/24/50/95/179245095.db2.gz RNJQFCPVSCYLPE-TWGQIWQCSA-N 0 0 201.269 2.287 50 0 BEAARN CCN(CC)C(=O)c1c(Cl)cnn1CC ZINC000002780638 347513452 /nfs/dbraw/zinc/51/34/52/347513452.db2.gz OFPPFYXXMDAHSN-UHFFFAOYSA-N 0 0 229.711 2.038 50 0 BEAARN O=C(c1ccccc1)c1ccc(OCCO)cc1 ZINC000003012722 347524014 /nfs/dbraw/zinc/52/40/14/347524014.db2.gz PNTLMFABGCHLMN-UHFFFAOYSA-N 0 0 242.274 2.289 50 0 BEAARN Cc1ccccc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000016580350 179252260 /nfs/dbraw/zinc/25/22/60/179252260.db2.gz SIJYYDVQRNQKBK-YPMHNXCESA-N 0 0 233.311 2.292 50 0 BEAARN CC(C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000012118572 347586886 /nfs/dbraw/zinc/58/68/86/347586886.db2.gz CHWXREKXXBWKGQ-MRVPVSSYSA-N 0 0 248.282 2.001 50 0 BEAARN Cc1ccccc1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000003747668 179271886 /nfs/dbraw/zinc/27/18/86/179271886.db2.gz WFPNQYHURBUWEN-UHFFFAOYSA-N 0 0 233.311 2.292 50 0 BEAARN CC(C)c1cc(C(=O)NCc2cccnc2)no1 ZINC000003908789 347636810 /nfs/dbraw/zinc/63/68/10/347636810.db2.gz SCLZWSFXGUMYGR-UHFFFAOYSA-N 0 0 245.282 2.123 50 0 BEAARN Cc1cc(Cn2ncc(C)cc2=O)c(C)s1 ZINC000195432352 347638107 /nfs/dbraw/zinc/63/81/07/347638107.db2.gz IMSHYFCBUSUILM-UHFFFAOYSA-N 0 0 234.324 2.278 50 0 BEAARN CCc1nn(C)cc1C(=O)OCC=C(C)C ZINC000195549713 347641202 /nfs/dbraw/zinc/64/12/02/347641202.db2.gz BSGGIOKSNAPVSQ-UHFFFAOYSA-N 0 0 222.288 2.106 50 0 BEAARN C[C@]1(C(=O)Nc2ncccc2O)CCCS1 ZINC000195559185 347645730 /nfs/dbraw/zinc/64/57/30/347645730.db2.gz LUDFOFNMEPPMPM-LLVKDONJSA-N 0 0 238.312 2.011 50 0 BEAARN COc1cccc(/C=C/CCn2cncn2)c1 ZINC000195572889 347647998 /nfs/dbraw/zinc/64/79/98/347647998.db2.gz JOGREXVXTZROJN-GORDUTHDSA-N 0 0 229.283 2.390 50 0 BEAARN CSCCn1ccnc1[C@H](O)c1ccccc1 ZINC000195570653 347648068 /nfs/dbraw/zinc/64/80/68/347648068.db2.gz JYNNXNTUQKESLF-GFCCVEGCSA-N 0 0 248.351 2.328 50 0 BEAARN Cc1ccccc1CNC(=O)c1cccnc1 ZINC000012988395 179281305 /nfs/dbraw/zinc/28/13/05/179281305.db2.gz RTGCHSDNEZBNQR-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1cc(N)nn1Cc1ccccc1C ZINC000002538874 179294537 /nfs/dbraw/zinc/29/45/37/179294537.db2.gz RDAZSSHJYVWSPC-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000075156877 179301040 /nfs/dbraw/zinc/30/10/40/179301040.db2.gz QXCLZEOEDNASQA-NEPJUHHUSA-N 0 0 248.326 2.420 50 0 BEAARN Cc1ccccc1Nc1nc(O)cs1 ZINC000012393139 179304702 /nfs/dbraw/zinc/30/47/02/179304702.db2.gz ZHBWFKCQBDLFKE-UHFFFAOYSA-N 0 0 206.270 2.036 50 0 BEAARN Cc1ccccc1OCCC(=O)NC(C)C ZINC000046346294 179308981 /nfs/dbraw/zinc/30/89/81/179308981.db2.gz AYZJFPVPPYAQHV-UHFFFAOYSA-N 0 0 221.300 2.289 50 0 BEAARN Cc1nnsc1C(=O)Oc1ccccc1C ZINC000008673494 179309711 /nfs/dbraw/zinc/30/97/11/179309711.db2.gz GCDXZGZZPJDWEO-UHFFFAOYSA-N 0 0 234.280 2.374 50 0 BEAARN O=C(c1cccs1)c1cnc2ncccn12 ZINC000004248580 537994652 /nfs/dbraw/zinc/99/46/52/537994652.db2.gz JFFDOFZMOIRDMX-UHFFFAOYSA-N 0 0 229.264 2.022 50 0 BEAARN CS[C@@H](C)C(=O)NCCCOC1CCCC1 ZINC000061255387 323172161 /nfs/dbraw/zinc/17/21/61/323172161.db2.gz YOOTZFDAXDALLO-JTQLQIEISA-N 0 0 245.388 2.203 50 0 BEAARN Cc1ccccc1[C@@H](NS(C)(=O)=O)C(C)C ZINC000069871247 179326478 /nfs/dbraw/zinc/32/64/78/179326478.db2.gz NKIKIPYPSSQKLJ-LBPRGKRZSA-N 0 0 241.356 2.241 50 0 BEAARN Cc1ccccc1[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC000041395313 179330093 /nfs/dbraw/zinc/33/00/93/179330093.db2.gz ODMJIZDTGZEIKS-AWEZNQCLSA-N 0 0 245.322 2.305 50 0 BEAARN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)[O-])C1 ZINC000237580751 179330014 /nfs/dbraw/zinc/33/00/14/179330014.db2.gz QZCVSSILRVNRLG-VXGBXAGGSA-N 0 0 233.311 2.257 50 0 BEAARN Cc1ccccc1[C@H]1Nc2ncccc2C(=O)N1 ZINC000065606879 179331678 /nfs/dbraw/zinc/33/16/78/179331678.db2.gz CLDKDMSNTHNRHP-ZDUSSCGKSA-N 0 0 239.278 2.244 50 0 BEAARN Cc1cccnc1-c1noc([C@@]2(C)CCCO2)n1 ZINC000020598698 179359597 /nfs/dbraw/zinc/35/95/97/179359597.db2.gz MCUHGKOMSCKKQZ-CYBMUJFWSA-N 0 0 245.282 2.466 50 0 BEAARN COc1cc(Cl)cc(OC)c1C=O ZINC000216138721 349982206 /nfs/dbraw/zinc/98/22/06/349982206.db2.gz LENPUWVBWPAVKQ-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN Cc1noc(C)c1CC(=O)Nc1ncccc1C ZINC000012634737 179390163 /nfs/dbraw/zinc/39/01/63/179390163.db2.gz FSOBGWHELPOWAP-UHFFFAOYSA-N 0 0 245.282 2.176 50 0 BEAARN Cc1cc(C)nc(NC(=O)[C@H]2CC=CCC2)n1 ZINC000032735945 133745471 /nfs/dbraw/zinc/74/54/71/133745471.db2.gz UHVXYTLSXSSRDD-NSHDSACASA-N 0 0 231.299 2.388 50 0 BEAARN CCc1nc(CN2CCSCC2)cs1 ZINC000047993488 490168692 /nfs/dbraw/zinc/16/86/92/490168692.db2.gz PINATZFEIHWQIT-UHFFFAOYSA-N 0 0 228.386 2.254 50 0 BEAARN Cc1ccnc(NCCOCc2ccccc2)n1 ZINC000080686396 179445935 /nfs/dbraw/zinc/44/59/35/179445935.db2.gz XCMWHCXZDFFEKK-UHFFFAOYSA-N 0 0 243.310 2.414 50 0 BEAARN Cc1ccnc(NCc2cnn3ccccc23)n1 ZINC000072133121 179452185 /nfs/dbraw/zinc/45/21/85/179452185.db2.gz ZJAUCYLLQWZMLE-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN CC[C@]1(C(C)C)O[C@]1(CC)C(=O)OC ZINC000669383081 538006651 /nfs/dbraw/zinc/00/66/51/538006651.db2.gz GCSKYMVAGIXNJK-GHMZBOCLSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1ccoc1C(=O)Nc1ccncc1F ZINC000096485248 179510352 /nfs/dbraw/zinc/51/03/52/179510352.db2.gz WIFNNSUZWSQIDZ-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@H](F)C1 ZINC000038539975 348705660 /nfs/dbraw/zinc/70/56/60/348705660.db2.gz UAPGAPVMGAQEAQ-QMMMGPOBSA-N 0 0 203.257 2.355 50 0 BEAARN CN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000005319708 348742494 /nfs/dbraw/zinc/74/24/94/348742494.db2.gz QZIIPQKRIRMTHQ-UHFFFAOYSA-N 0 0 237.258 2.164 50 0 BEAARN Cc1cnccc1C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000334401515 179692349 /nfs/dbraw/zinc/69/23/49/179692349.db2.gz FQECLVWCDCUJRE-VHSXEESVSA-N 0 0 222.263 2.010 50 0 BEAARN Cc1cncc(Oc2cccc(C=O)c2)n1 ZINC000012370718 179683881 /nfs/dbraw/zinc/68/38/81/179683881.db2.gz DGOVMRIAWRQGFP-UHFFFAOYSA-N 0 0 214.224 2.390 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]12CCCC[C@H]2C ZINC000669384398 538014742 /nfs/dbraw/zinc/01/47/42/538014742.db2.gz VINDUOANHPCCLB-YUSALJHKSA-N 0 0 212.289 2.287 50 0 BEAARN CC[C@@]1(C(=O)OC)OC12CCC(C)CC2 ZINC000669384355 538014991 /nfs/dbraw/zinc/01/49/91/538014991.db2.gz ULLAAWLYYJEILM-NHNAUAITSA-N 0 0 212.289 2.287 50 0 BEAARN COC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000113323511 348933832 /nfs/dbraw/zinc/93/38/32/348933832.db2.gz AOYBQZRYDWOHLC-UHFFFAOYSA-N 0 0 221.187 2.267 50 0 BEAARN Nc1nc2c(s1)C[C@H](C(F)(F)F)CC2 ZINC000082862545 538024059 /nfs/dbraw/zinc/02/40/59/538024059.db2.gz UJDBCDLQSHOLJD-SCSAIBSYSA-N 0 0 222.235 2.393 50 0 BEAARN Cc1coc(C)c1C(=O)NC1(C(F)F)CC1 ZINC000334674657 179753649 /nfs/dbraw/zinc/75/36/49/179753649.db2.gz MKVFFJGTRJWVEQ-UHFFFAOYSA-N 0 0 229.226 2.424 50 0 BEAARN Cc1csc(NC(=O)c2ccco2)n1 ZINC000000283076 179788705 /nfs/dbraw/zinc/78/87/05/179788705.db2.gz UMDJLYVJPFBLDQ-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN Cc1n[nH]c(=O)c2nc(-c3ccccc3)sc21 ZINC000000123825 179815460 /nfs/dbraw/zinc/81/54/60/179815460.db2.gz GHUBVVHHVDRSNS-UHFFFAOYSA-N 0 0 243.291 2.355 50 0 BEAARN O=C(CC1CCCC1)NCc1ccncc1 ZINC000008723331 190978467 /nfs/dbraw/zinc/97/84/67/190978467.db2.gz FPVIHYRZAYHAGK-UHFFFAOYSA-N 0 0 218.300 2.278 50 0 BEAARN Cc1cscc1C(=O)Nc1cnccn1 ZINC000097379880 179804937 /nfs/dbraw/zinc/80/49/37/179804937.db2.gz SUSXVNWPVZAQEB-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1n[nH]c(C)c1CN(C)Cc1cccnc1 ZINC000195561842 179819556 /nfs/dbraw/zinc/81/95/56/179819556.db2.gz YKMKUBPTCMTLFY-UHFFFAOYSA-N 0 0 230.315 2.054 50 0 BEAARN CCc1cc(=O)[nH]c(SCCC(C)C)n1 ZINC000005154895 349257263 /nfs/dbraw/zinc/25/72/63/349257263.db2.gz PRAOSGQFKYTIGR-UHFFFAOYSA-N 0 0 226.345 2.471 50 0 BEAARN O=C(CCn1cccc1)NCc1ccc(F)cc1 ZINC000021016528 349281758 /nfs/dbraw/zinc/28/17/58/349281758.db2.gz MVFKIIMWSQWYKI-UHFFFAOYSA-N 0 0 246.285 2.334 50 0 BEAARN Cc1nc(-c2nn3c(nnc3C(C)C)s2)co1 ZINC000044901363 179871299 /nfs/dbraw/zinc/87/12/99/179871299.db2.gz LCUNRKHZVQXPDY-UHFFFAOYSA-N 0 0 249.299 2.273 50 0 BEAARN Cc1nc(C)c(C(=O)Nc2cccnc2)s1 ZINC000039538293 179903844 /nfs/dbraw/zinc/90/38/44/179903844.db2.gz PHYLCRXAPFNSLZ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CCCOc1ccc(NC(N)=S)cc1 ZINC000016887610 362948263 /nfs/dbraw/zinc/94/82/63/362948263.db2.gz XLBYJQWZNYXJFS-UHFFFAOYSA-N 0 0 210.302 2.131 50 0 BEAARN Cc1nc(CC(=O)N2CCC(C)CC2)cs1 ZINC000058245339 179929347 /nfs/dbraw/zinc/92/93/47/179929347.db2.gz WXWUXPYTHDISMY-UHFFFAOYSA-N 0 0 238.356 2.253 50 0 BEAARN C1CC(c2nnc([C@@H]3CCCCN3)o2)C1 ZINC000083345152 191007560 /nfs/dbraw/zinc/00/75/60/191007560.db2.gz BNJKGCCCACWOQY-VIFPVBQESA-N 0 0 207.277 2.152 50 0 BEAARN Cc1nc(COc2ccc(F)cc2F)no1 ZINC000065576534 179979356 /nfs/dbraw/zinc/97/93/56/179979356.db2.gz QKCFBMGDMHOHLZ-UHFFFAOYSA-N 0 0 226.182 2.235 50 0 BEAARN Cc1nc(Cn2c3ccccc3oc2=O)oc1C ZINC000058356078 179991476 /nfs/dbraw/zinc/99/14/76/179991476.db2.gz HZNLXVGYCHWORF-UHFFFAOYSA-N 0 0 244.250 2.248 50 0 BEAARN Cc1nc(NC(=O)C(F)(F)F)sc1C ZINC000002741545 180005255 /nfs/dbraw/zinc/00/52/55/180005255.db2.gz GTRNVMPYCOJCDN-UHFFFAOYSA-N 0 0 224.207 2.261 50 0 BEAARN FC(F)[C@H]1CCCN1CC1=CCCOC1 ZINC000335810891 490321822 /nfs/dbraw/zinc/32/18/22/490321822.db2.gz DWSPJOOYNMECES-SNVBAGLBSA-N 0 0 217.259 2.063 50 0 BEAARN Cc1nc([C@@H](N)c2ccc(Cl)c(F)c2)no1 ZINC000049808701 180039884 /nfs/dbraw/zinc/03/98/84/180039884.db2.gz KNLSOPFXUOKYSV-VIFPVBQESA-N 0 0 241.653 2.219 50 0 BEAARN Cc1nc([C@@H]2CCCN2CC(F)(F)F)no1 ZINC000075573156 180046096 /nfs/dbraw/zinc/04/60/96/180046096.db2.gz VGCNDVLDGWFWKQ-ZETCQYMHSA-N 0 0 235.209 2.077 50 0 BEAARN Cc1nc([C@H](N)c2ccc(Cl)cc2)no1 ZINC000036762210 180053555 /nfs/dbraw/zinc/05/35/55/180053555.db2.gz ZSAXBGLRHFBPER-SECBINFHSA-N 0 0 223.663 2.080 50 0 BEAARN CCCCC(=O)N1CCC[C@@H](OCC)C1 ZINC000126911181 168612717 /nfs/dbraw/zinc/61/27/17/168612717.db2.gz BZHAFOXGJAEVRX-LLVKDONJSA-N 0 0 213.321 2.204 50 0 BEAARN Cc1nc2c3c(C)c(C)sc3ncn2n1 ZINC000002731019 180073790 /nfs/dbraw/zinc/07/37/90/180073790.db2.gz MMVQHPUDDSDHGS-UHFFFAOYSA-N 0 0 218.285 2.264 50 0 BEAARN Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000014000621 180086886 /nfs/dbraw/zinc/08/68/86/180086886.db2.gz WDIQQFNYNJALRW-UHFFFAOYSA-N 0 0 204.229 2.033 50 0 BEAARN Cc1nc2ccc(Br)cc2c(=O)o1 ZINC000000094289 180088642 /nfs/dbraw/zinc/08/86/42/180088642.db2.gz JCRULBKTDUOWMP-UHFFFAOYSA-N 0 0 240.056 2.259 50 0 BEAARN Cc1nc2n(n1)[C@H](c1ccccc1)C[C@H](C)N2 ZINC000095471670 180113995 /nfs/dbraw/zinc/11/39/95/180113995.db2.gz DJVKJKTUBCAKLX-CABZTGNLSA-N 0 0 228.299 2.380 50 0 BEAARN Cc1nc2ccccc2c(C)c1C(=O)OCCO ZINC000032903437 180101206 /nfs/dbraw/zinc/10/12/06/180101206.db2.gz WPIOSLLUHDHOPZ-UHFFFAOYSA-N 0 0 245.278 2.001 50 0 BEAARN Cc1nc2ccccc2nc1SCCO ZINC000040050160 180105392 /nfs/dbraw/zinc/10/53/92/180105392.db2.gz FGGKNMAQYBFQTJ-UHFFFAOYSA-N 0 0 220.297 2.023 50 0 BEAARN Cc1nc2nccnc2cc1Br ZINC000026459799 180115767 /nfs/dbraw/zinc/11/57/67/180115767.db2.gz YVYIJVDABCQHQA-UHFFFAOYSA-N 0 0 224.061 2.096 50 0 BEAARN Cc1nc2ncnn2c(N[C@H]2C=CCCC2)c1C ZINC000095411592 180116355 /nfs/dbraw/zinc/11/63/55/180116355.db2.gz XDHLKEUSWISJOV-NSHDSACASA-N 0 0 243.314 2.262 50 0 BEAARN CCc1cnccc1C(=O)OC[C@@H]1CC[C@H](C)O1 ZINC000097113100 191058905 /nfs/dbraw/zinc/05/89/05/191058905.db2.gz PKZUPZILJHEZQJ-JQWIXIFHSA-N 0 0 249.310 2.368 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)no1 ZINC000098018863 191061532 /nfs/dbraw/zinc/06/15/32/191061532.db2.gz MWIOJYUTPGIFQY-PHIMTYICSA-N 0 0 234.299 2.245 50 0 BEAARN CC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000041172933 191064621 /nfs/dbraw/zinc/06/46/21/191064621.db2.gz JTZGRTJSUZPGLD-GFCCVEGCSA-N 0 0 239.702 2.260 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1 ZINC000033019002 350217714 /nfs/dbraw/zinc/21/77/14/350217714.db2.gz OQPDSPKZZRBGCX-VIFPVBQESA-N 0 0 245.278 2.321 50 0 BEAARN CSCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000033028580 350218304 /nfs/dbraw/zinc/21/83/04/350218304.db2.gz AMQFZOPFHJQGLB-KXUCPTDWSA-N 0 0 215.362 2.290 50 0 BEAARN O=C1CCCc2oc3ccccc3c(=O)c21 ZINC000005776732 350228011 /nfs/dbraw/zinc/22/80/11/350228011.db2.gz YOTAOISIWBXAHV-UHFFFAOYSA-N 0 0 214.220 2.312 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(N)cc2C1 ZINC000033358872 350230378 /nfs/dbraw/zinc/23/03/78/350230378.db2.gz FIZZCNCGJUVFEU-GFCCVEGCSA-N 0 0 248.326 2.261 50 0 BEAARN CC(C)(C)C(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000076022341 362952873 /nfs/dbraw/zinc/95/28/73/362952873.db2.gz ZZVMUOBSQJRUNO-QWRGUYRKSA-N 0 0 207.317 2.457 50 0 BEAARN Cc1nccn1Cc1noc(-c2cccs2)n1 ZINC000065288313 180271793 /nfs/dbraw/zinc/27/17/93/180271793.db2.gz YMGQCGABTXOIJC-UHFFFAOYSA-N 0 0 246.295 2.351 50 0 BEAARN Cc1ncnc(N(C)CC2(CO)CCCC2)c1C ZINC000091713283 180290484 /nfs/dbraw/zinc/29/04/84/180290484.db2.gz NFMOFLQFDHFIJE-UHFFFAOYSA-N 0 0 249.358 2.082 50 0 BEAARN Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1 ZINC000040161037 350357431 /nfs/dbraw/zinc/35/74/31/350357431.db2.gz DFVYSXFNAAXTPS-ZMLRMANQSA-N 0 0 247.342 2.340 50 0 BEAARN Cc1ncsc1C(=O)NCC1CCCC1 ZINC000046578640 180302851 /nfs/dbraw/zinc/30/28/51/180302851.db2.gz RCMGKXYHVRDOAC-UHFFFAOYSA-N 0 0 224.329 2.372 50 0 BEAARN Cc1ncsc1C(=O)N[C@@H](C)C(C)C ZINC000040530114 180305129 /nfs/dbraw/zinc/30/51/29/180305129.db2.gz OLIVELTVKFTBRS-ZETCQYMHSA-N 0 0 212.318 2.226 50 0 BEAARN CC(C)(C)c1ncc2c(n1)CCCC2=O ZINC000040449127 350364927 /nfs/dbraw/zinc/36/49/27/350364927.db2.gz QAHBPIINCJQJQX-UHFFFAOYSA-N 0 0 204.273 2.293 50 0 BEAARN Cc1ncsc1C(=O)N[C@H](C)C(C)C ZINC000040530116 180305948 /nfs/dbraw/zinc/30/59/48/180305948.db2.gz OLIVELTVKFTBRS-SSDOTTSWSA-N 0 0 212.318 2.226 50 0 BEAARN Cc1ncsc1C(=O)OC[C@@H]1CCCCO1 ZINC000071970803 180307720 /nfs/dbraw/zinc/30/77/20/180307720.db2.gz UZUNGVMMTVMSIZ-VIFPVBQESA-N 0 0 241.312 2.177 50 0 BEAARN Cc1ccc(C=O)c(OCC(F)F)c1 ZINC000601014329 350330030 /nfs/dbraw/zinc/33/00/30/350330030.db2.gz QUOFXIHOSINPQD-UHFFFAOYSA-N 0 0 200.184 2.451 50 0 BEAARN O=c1cc(Br)c2ccccc2[nH]1 ZINC000014982317 350331460 /nfs/dbraw/zinc/33/14/60/350331460.db2.gz WIVIYVYDZYAUMB-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN CC(C)n1ncnc1-c1cccc2c1OCC2 ZINC000426537739 191096258 /nfs/dbraw/zinc/09/62/58/191096258.db2.gz SKIBXSLYNYMMIW-UHFFFAOYSA-N 0 0 229.283 2.461 50 0 BEAARN Cc1ccc(C)c(-c2cnc3ncnn3c2)c1 ZINC000426571514 191097910 /nfs/dbraw/zinc/09/79/10/191097910.db2.gz NGEFJRYOHCDNII-UHFFFAOYSA-N 0 0 224.267 2.408 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)c1ccoc1C ZINC000028227944 180343210 /nfs/dbraw/zinc/34/32/10/180343210.db2.gz NZRKZPWMHGSWCK-UHFFFAOYSA-N 0 0 233.271 2.191 50 0 BEAARN Cc1nn(C)c(C)c1OC(=O)c1cccc(F)c1 ZINC000098013250 180346466 /nfs/dbraw/zinc/34/64/66/180346466.db2.gz VWANKNOKGSXCKZ-UHFFFAOYSA-N 0 0 248.257 2.395 50 0 BEAARN Cc1nn(C)cc1-c1nnc(-c2ccccc2)o1 ZINC000002806299 180366036 /nfs/dbraw/zinc/36/60/36/180366036.db2.gz LXJJKBPWRYEXQH-UHFFFAOYSA-N 0 0 240.266 2.446 50 0 BEAARN Cc1nnc(-c2cccc(-c3cc[nH]n3)c2)o1 ZINC000032529596 180396278 /nfs/dbraw/zinc/39/62/78/180396278.db2.gz IDJYALIRIJVOIC-UHFFFAOYSA-N 0 0 226.239 2.435 50 0 BEAARN COCCCCCn1c(C)c(C)sc1=O ZINC000076062575 362961269 /nfs/dbraw/zinc/96/12/69/362961269.db2.gz KWXDEMRNYZKKNQ-UHFFFAOYSA-N 0 0 229.345 2.343 50 0 BEAARN Cc1n[nH]c(=S)c2c1cnn2-c1ccccc1 ZINC000026421784 180438235 /nfs/dbraw/zinc/43/82/35/180438235.db2.gz PVWLQHDYHGBMFL-UHFFFAOYSA-N 0 0 242.307 2.413 50 0 BEAARN C=CS(=O)(=O)Oc1cc(C)cc(C)c1 ZINC000001782996 191114090 /nfs/dbraw/zinc/11/40/90/191114090.db2.gz VIPJLBHSRGJKNO-UHFFFAOYSA-N 0 0 212.270 2.156 50 0 BEAARN Cc1ncc(Cl)c(C(=O)OC[C@@H]2C[C@H]2C)n1 ZINC000076090298 362970796 /nfs/dbraw/zinc/97/07/96/362970796.db2.gz GBJQZVCXGQGFRY-SVRRBLITSA-N 0 0 240.690 2.251 50 0 BEAARN Cc1noc(C)c1C(=O)N1CCCC1(C)C ZINC000170600309 180462863 /nfs/dbraw/zinc/46/28/63/180462863.db2.gz IKQQWVNROKGQBX-UHFFFAOYSA-N 0 0 222.288 2.306 50 0 BEAARN Cc1noc(C)c1CC(=O)N1CCCCCC1 ZINC000039969213 180465933 /nfs/dbraw/zinc/46/59/33/180465933.db2.gz GHEQTPXUVSHMMY-UHFFFAOYSA-N 0 0 236.315 2.237 50 0 BEAARN CC(C)Cc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000000537177 191117395 /nfs/dbraw/zinc/11/73/95/191117395.db2.gz XGEJDTHTIFGUEZ-GFCCVEGCSA-N 0 0 221.300 2.360 50 0 biogenic BEAARN Cc1nonc1NC(=O)c1ccccc1Cl ZINC000008915136 180514687 /nfs/dbraw/zinc/51/46/87/180514687.db2.gz SGNWHTGZFWLBIL-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN Cc1ccc(NC(=O)c2cnsn2)c(C)c1 ZINC000000935407 350910446 /nfs/dbraw/zinc/91/04/46/350910446.db2.gz SYNWCPYKGXCELK-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000177650737 366014704 /nfs/dbraw/zinc/01/47/04/366014704.db2.gz GXYJSGNZMLSRDV-MRVPVSSYSA-N 0 0 209.211 2.244 50 0 BEAARN COC(=O)[C@@H]1CON=C1c1c(C)cc(C)cc1C ZINC000000977133 350962111 /nfs/dbraw/zinc/96/21/11/350962111.db2.gz VKUQUYYOFMRWMQ-LLVKDONJSA-N 0 0 247.294 2.135 50 0 BEAARN CCN(Cc1nnc(C)[nH]1)c1ccccc1 ZINC000292606084 350969683 /nfs/dbraw/zinc/96/96/83/350969683.db2.gz WKPUSXVSMNHFIG-UHFFFAOYSA-N 0 0 216.288 2.140 50 0 BEAARN CC(C)n1oc2c(ccc(Cl)c2N)c1=O ZINC000000988186 350971932 /nfs/dbraw/zinc/97/19/32/350971932.db2.gz NLVULTOXQOYGPV-UHFFFAOYSA-N 0 0 226.663 2.411 50 0 BEAARN COc1cccc(NC2=CC(=O)O[C@H](C)C2)c1 ZINC000001017469 350979981 /nfs/dbraw/zinc/97/99/81/350979981.db2.gz XSNOWPRSDNWWJJ-SECBINFHSA-N 0 0 233.267 2.326 50 0 BEAARN Cn1cc(NC(=O)CCc2cccc(F)c2)cn1 ZINC000025307917 350980655 /nfs/dbraw/zinc/98/06/55/350980655.db2.gz OSIQLXSVPHMWAL-UHFFFAOYSA-N 0 0 247.273 2.131 50 0 BEAARN Cc1ccc(N2C(=O)OC(C)(C)[C@@]2(C)O)cc1 ZINC000001022907 350986674 /nfs/dbraw/zinc/98/66/74/350986674.db2.gz KEPHSPWZQCKIMB-CYBMUJFWSA-N 0 0 235.283 2.439 50 0 BEAARN Cc1ocnc1-c1noc([C@@H]2C[C@H]2C)n1 ZINC000225556057 180545409 /nfs/dbraw/zinc/54/54/09/180545409.db2.gz RHVREJFJHRFFHL-IYSWYEEDSA-N 0 0 205.217 2.156 50 0 BEAARN Cc1ocnc1C(=O)Nc1ncccc1Cl ZINC000097046944 180550718 /nfs/dbraw/zinc/55/07/18/180550718.db2.gz SLFKTNFBMFCDRR-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN C/C=C\[C@@H]1OC(=O)C(C)(C)C(=O)C1(C)C ZINC000005823651 351168440 /nfs/dbraw/zinc/16/84/40/351168440.db2.gz GXSBHXOJAAYYKJ-UAPHAKCISA-N 0 0 210.273 2.109 50 0 BEAARN C/C=C\[C@H]1OC(=O)C(C)(C)C(=O)C1(C)C ZINC000005823649 351168919 /nfs/dbraw/zinc/16/89/19/351168919.db2.gz GXSBHXOJAAYYKJ-NFXKFNAJSA-N 0 0 210.273 2.109 50 0 BEAARN CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000005879171 351285761 /nfs/dbraw/zinc/28/57/61/351285761.db2.gz YQTXVWFGGPHAAL-TWGQIWQCSA-N 0 0 237.255 2.492 50 0 BEAARN CCCCC(=O)NCc1ccc2c(c1)OCO2 ZINC000006039700 351391355 /nfs/dbraw/zinc/39/13/55/351391355.db2.gz AQJUJOXDUOJZMF-UHFFFAOYSA-N 0 0 235.283 2.222 50 0 BEAARN CC[C@@H]1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000031681032 351499012 /nfs/dbraw/zinc/49/90/12/351499012.db2.gz XMNTWIUGQZPVQG-LLVKDONJSA-N 0 0 248.326 2.480 50 0 BEAARN Cn1c2ccccc2c2c1[C@H](NC=O)CCC2 ZINC000000448175 180626330 /nfs/dbraw/zinc/62/63/30/180626330.db2.gz YZJRBYKXZCWPCU-GFCCVEGCSA-N 0 0 228.295 2.302 50 0 BEAARN Cn1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC000032819932 180631746 /nfs/dbraw/zinc/63/17/46/180631746.db2.gz WKULTAVBWOBWGL-YPMHNXCESA-N 0 0 247.342 2.215 50 0 BEAARN O=C(OCc1ccccc1)c1cccnc1 ZINC000000391816 351775690 /nfs/dbraw/zinc/77/56/90/351775690.db2.gz KVYGGMBOZFWZBQ-UHFFFAOYSA-N 0 0 213.236 2.439 50 0 in-man BEAARN Cn1cc(OC[C@H]2CCC(F)(F)C2)cn1 ZINC000335470572 180662661 /nfs/dbraw/zinc/66/26/61/180662661.db2.gz JJYBBMBOHOYAKH-QMMMGPOBSA-N 0 0 216.231 2.234 50 0 BEAARN CC(=O)Nc1cccc(-c2cncnc2)c1 ZINC000067649487 187582562 /nfs/dbraw/zinc/58/25/62/187582562.db2.gz FQMNGUKCFGZZKA-UHFFFAOYSA-N 0 0 213.240 2.102 50 0 BEAARN CC(C)(C)c1ccc2c(c1)NC(=O)CO2 ZINC000000216569 187582946 /nfs/dbraw/zinc/58/29/46/187582946.db2.gz RBEMVEIJGYOVMA-UHFFFAOYSA-N 0 0 205.257 2.315 50 0 BEAARN CC1(C)Cc2ccccc2-c2c[nH]c(=O)n21 ZINC000000333927 187583322 /nfs/dbraw/zinc/58/33/22/187583322.db2.gz IPUKIVKXBHTNOV-UHFFFAOYSA-N 0 0 214.268 2.135 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000012552218 352125176 /nfs/dbraw/zinc/12/51/76/352125176.db2.gz RSJZMGQYZPBNRA-MRVPVSSYSA-N 0 0 233.271 2.198 50 0 BEAARN CC(C)=CC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000022989791 187591514 /nfs/dbraw/zinc/59/15/14/187591514.db2.gz MASXWMHWYPRZTH-UHFFFAOYSA-N 0 0 242.282 2.172 50 0 BEAARN Clc1nc2c(c(Cl)n1)SCC2 ZINC000035269870 187594621 /nfs/dbraw/zinc/59/46/21/187594621.db2.gz CUVQFHMQHBMFCI-UHFFFAOYSA-N 0 0 207.085 2.432 50 0 BEAARN COc1ccc(NC(=O)/C=C(/C)C2CC2)cn1 ZINC000054860687 187611562 /nfs/dbraw/zinc/61/15/62/187611562.db2.gz UDBHZGXRRYLQQW-CLFYSBASSA-N 0 0 232.283 2.385 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000046331744 187607201 /nfs/dbraw/zinc/60/72/01/187607201.db2.gz XJYVDRNEUJVOAT-UHFFFAOYSA-N 0 0 235.287 2.175 50 0 BEAARN Cc1ccc(F)c(CNc2ccn(C)n2)c1 ZINC000089616577 187626824 /nfs/dbraw/zinc/62/68/24/187626824.db2.gz SGNCWDLVXUDPAK-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN OCCCCc1ccc(CCCCO)cc1 ZINC000003132903 363146841 /nfs/dbraw/zinc/14/68/41/363146841.db2.gz PFNAUBZCUROTHN-UHFFFAOYSA-N 0 0 222.328 2.317 50 0 BEAARN CC(=O)Nc1ccccc1OC(F)F ZINC000004842208 187645018 /nfs/dbraw/zinc/64/50/18/187645018.db2.gz ILWLHIKGKVODOP-UHFFFAOYSA-N 0 0 201.172 2.246 50 0 BEAARN O=C(N[C@H]1CCC[C@H]1F)c1cccc(O)c1 ZINC000334673224 352361341 /nfs/dbraw/zinc/36/13/41/352361341.db2.gz BSUMYSFHDMKLSU-MNOVXSKESA-N 0 0 223.247 2.013 50 0 BEAARN O=C(NC[C@@H]1COc2ccccc21)c1ccoc1 ZINC000335123792 352387975 /nfs/dbraw/zinc/38/79/75/352387975.db2.gz RRCWLJWNCIKZRQ-LLVKDONJSA-N 0 0 243.262 2.186 50 0 BEAARN CCCCCCNC(=O)c1cccn1C ZINC000084743138 168667292 /nfs/dbraw/zinc/66/72/92/168667292.db2.gz DMMYOHDFCYWFGY-UHFFFAOYSA-N 0 0 208.305 2.335 50 0 BEAARN CNc1nc(N2[C@H](C)CCC[C@@H]2C)ncc1F ZINC000725272112 538103758 /nfs/dbraw/zinc/10/37/58/538103758.db2.gz MPRBGQXUWXXCBT-DTORHVGOSA-N 0 0 238.310 2.425 50 0 BEAARN CC[C@@H](C)C(=O)Nc1cccnc1-n1cccn1 ZINC000044912094 352493287 /nfs/dbraw/zinc/49/32/87/352493287.db2.gz DKCIKLAUHJREHG-SNVBAGLBSA-N 0 0 244.298 2.252 50 0 BEAARN Cc1csc(CNC(=O)Nc2ccncc2)n1 ZINC000045357226 352599873 /nfs/dbraw/zinc/59/98/73/352599873.db2.gz ACAVYJHBGBHRDQ-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN CCCCCC[C@@H](C)NC(=O)N1CCOCC1 ZINC000005860285 168674600 /nfs/dbraw/zinc/67/46/00/168674600.db2.gz KJYSFADEIWGLMV-GFCCVEGCSA-N 0 0 242.363 2.387 50 0 BEAARN CCN(Cc1cccc(Cl)c1)C(=O)COC ZINC000045395805 352633075 /nfs/dbraw/zinc/63/30/75/352633075.db2.gz OYVKXTREBGJMFN-UHFFFAOYSA-N 0 0 241.718 2.335 50 0 BEAARN Cc1c(Cl)cc(F)c(NC(N)=O)c1F ZINC000334173271 352758149 /nfs/dbraw/zinc/75/81/49/352758149.db2.gz AEGUCBKTGSGKCB-UHFFFAOYSA-N 0 0 220.606 2.417 50 0 BEAARN O=C(C1=CCCC1)N1CC2(CCC2(F)F)C1 ZINC000335818801 133922532 /nfs/dbraw/zinc/92/25/32/133922532.db2.gz NEMFWQLTMCQDJZ-UHFFFAOYSA-N 0 0 227.254 2.354 50 0 BEAARN c1nnc2n1N=CC=C(c1ccccc1)S2 ZINC000004689386 187929130 /nfs/dbraw/zinc/92/91/30/187929130.db2.gz HZUICHZGSSJIKR-UHFFFAOYSA-N 0 0 228.280 2.259 50 0 BEAARN Cc1cccnc1NC(=S)NC(C)C ZINC000005638185 187929525 /nfs/dbraw/zinc/92/95/25/187929525.db2.gz ZMCOETGFEQJDJB-UHFFFAOYSA-N 0 0 209.318 2.085 50 0 BEAARN CC(=O)N1[C@@H](Nc2ccccc2)CCN1C(C)C ZINC000005250020 187930136 /nfs/dbraw/zinc/93/01/36/187930136.db2.gz AARKFCKJQBWTHF-CQSZACIVSA-N 0 0 247.342 2.302 50 0 BEAARN OCc1ccccc1-c1ccccc1CO ZINC000000056708 187923999 /nfs/dbraw/zinc/92/39/99/187923999.db2.gz UIMJANTUJQGSEX-UHFFFAOYSA-N 0 0 214.264 2.338 50 0 in-vitro BEAARN CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000004084284 187928153 /nfs/dbraw/zinc/92/81/53/187928153.db2.gz LLKJMRLJZNSQLY-UHFFFAOYSA-N 0 0 246.188 2.146 50 0 BEAARN CC(=O)N1N=C(C)C[C@H]1c1ccccc1 ZINC000004599812 187928843 /nfs/dbraw/zinc/92/88/43/187928843.db2.gz DFKZGQLECGUOJV-LBPRGKRZSA-N 0 0 202.257 2.356 50 0 BEAARN CC(C)(C)OC(=O)/C=C/C(=O)OC(C)(C)C ZINC000016951755 187933734 /nfs/dbraw/zinc/93/37/34/187933734.db2.gz MSVGHYYKWDQHFV-BQYQJAHWSA-N 0 0 228.288 2.226 50 0 BEAARN CC(C)(C)OC(=O)N[C@H](CO)CC1CCC1 ZINC000034566740 187939087 /nfs/dbraw/zinc/93/90/87/187939087.db2.gz YAYOAQZEBASQLZ-JTQLQIEISA-N 0 0 229.320 2.062 50 0 BEAARN Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000035728308 187939637 /nfs/dbraw/zinc/93/96/37/187939637.db2.gz QYEHERJXNTXVNQ-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN COCc1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000089420346 187972776 /nfs/dbraw/zinc/97/27/76/187972776.db2.gz VMXYLSCXWOIYOE-GHMZBOCLSA-N 0 0 249.310 2.298 50 0 BEAARN Cc1cc(Br)c2c(c1)NC(=O)CO2 ZINC000057340651 187955504 /nfs/dbraw/zinc/95/55/04/187955504.db2.gz FMOZIFYYHSGUMU-UHFFFAOYSA-N 0 0 242.072 2.088 50 0 BEAARN Cc1cccc([C@H]2Nc3ncccc3C(=O)N2)c1 ZINC000065606987 187958215 /nfs/dbraw/zinc/95/82/15/187958215.db2.gz FLBKNIMZGJXCIY-LBPRGKRZSA-N 0 0 239.278 2.244 50 0 BEAARN COc1ccc(CC(=O)NCC(C)C)cc1C ZINC000072446685 187962388 /nfs/dbraw/zinc/96/23/88/187962388.db2.gz OVNAUAOMJGSSMW-UHFFFAOYSA-N 0 0 235.327 2.318 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1C(C)(C)[C@H](O)C1(C)C ZINC000103522215 187977934 /nfs/dbraw/zinc/97/79/34/187977934.db2.gz BRCDKHQTJYOCIF-DTORHVGOSA-N 0 0 243.347 2.307 50 0 BEAARN Oc1ccccc1[C@@H](O)c1ccccc1 ZINC000000453910 187988309 /nfs/dbraw/zinc/98/83/09/187988309.db2.gz XBXPATGJUNPLJA-ZDUSSCGKSA-N 0 0 200.237 2.474 50 0 BEAARN COc1ccc(CN(C)c2ccccn2)cc1O ZINC000195576783 188006587 /nfs/dbraw/zinc/00/65/87/188006587.db2.gz ABZFXYXGCKKXHE-UHFFFAOYSA-N 0 0 244.294 2.432 50 0 BEAARN COc1cc(Br)c(C(C)=O)cc1O ZINC000027546396 188009852 /nfs/dbraw/zinc/00/98/52/188009852.db2.gz ZLGLYKICXOFLEU-UHFFFAOYSA-N 0 0 245.072 2.366 50 0 BEAARN Cn1cc(Br)c2cnc(Cl)nc21 ZINC000238540594 188019234 /nfs/dbraw/zinc/01/92/34/188019234.db2.gz RCDUZNLBGZBHII-UHFFFAOYSA-N 0 0 246.495 2.384 50 0 BEAARN CCCCCNC(=O)NCc1c(C)n[nH]c1C ZINC000065536734 168708454 /nfs/dbraw/zinc/70/84/54/168708454.db2.gz IMKDSWLZYUBIAA-UHFFFAOYSA-N 0 0 238.335 2.016 50 0 BEAARN CCc1nc(CN2C[C@H](C)OC[C@@H]2C)cs1 ZINC000045785828 353180997 /nfs/dbraw/zinc/18/09/97/353180997.db2.gz CTUFYUJCUZYSQS-UWVGGRQHSA-N 0 0 240.372 2.315 50 0 BEAARN FC(F)(F)c1cn2nc(Cl)ccc2n1 ZINC000020358110 180896662 /nfs/dbraw/zinc/89/66/62/180896662.db2.gz ZHOJZGDFKSAMHF-UHFFFAOYSA-N 0 0 221.569 2.402 50 0 BEAARN FC(F)(F)c1cnc(Br)cn1 ZINC000072193265 180896909 /nfs/dbraw/zinc/89/69/09/180896909.db2.gz NMRATCPZBXTQLV-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN CC(C)(C)[P@](=O)(CO)c1ccccc1 ZINC000000295597 188272164 /nfs/dbraw/zinc/27/21/64/188272164.db2.gz GZUQSBLQZUAVAF-AWEZNQCLSA-N 0 0 212.229 2.423 50 0 BEAARN O=C(NC(=S)N1CCCCC1)c1ccccc1 ZINC000000071302 188272303 /nfs/dbraw/zinc/27/23/03/188272303.db2.gz VNJFHWMMNGRADW-UHFFFAOYSA-N 0 0 248.351 2.187 50 0 BEAARN CC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1 ZINC000000049821 188272486 /nfs/dbraw/zinc/27/24/86/188272486.db2.gz DSOPGKFNVNVBPT-UHFFFAOYSA-N 0 0 240.324 2.056 50 0 BEAARN NC(=O)c1cccn1Cc1ccccc1Cl ZINC000000259669 188272689 /nfs/dbraw/zinc/27/26/89/188272689.db2.gz FNWQVYIDFQBAEE-UHFFFAOYSA-N 0 0 234.686 2.289 50 0 in-vitro BEAARN Cc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1 ZINC000000433125 188273025 /nfs/dbraw/zinc/27/30/25/188273025.db2.gz YFJUGZZDVDZNTD-VFNNOXKTSA-N 0 0 245.322 2.303 50 0 BEAARN CC(=O)Nc1cccc(-c2n[nH]c(=S)n2C)c1 ZINC000000462525 188273316 /nfs/dbraw/zinc/27/33/16/188273316.db2.gz SOKODAALZCYANU-UHFFFAOYSA-N 0 0 248.311 2.103 50 0 BEAARN COc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000000405598 188273331 /nfs/dbraw/zinc/27/33/31/188273331.db2.gz DBNISDCJQRSBND-UHFFFAOYSA-N 0 0 221.300 2.358 50 0 BEAARN CC1=NN(C(=S)Cc2ccccc2)[C@](C)(O)C1 ZINC000000366898 188273540 /nfs/dbraw/zinc/27/35/40/188273540.db2.gz JZGDPPHVYVTNFW-CYBMUJFWSA-N 0 0 248.351 2.347 50 0 BEAARN CCn1nccc1C(=O)NC1CCCCCC1 ZINC000000371569 188273551 /nfs/dbraw/zinc/27/35/51/188273551.db2.gz VSCNZTUBNYRHQO-UHFFFAOYSA-N 0 0 235.331 2.356 50 0 BEAARN C=CC(=O)OC(C(F)(F)F)C(F)(F)F ZINC000001841395 188273944 /nfs/dbraw/zinc/27/39/44/188273944.db2.gz MNSWITGNWZSAMC-UHFFFAOYSA-N 0 0 222.084 2.209 50 0 BEAARN CC(=O)Oc1ccccc1Br ZINC000001596298 188274090 /nfs/dbraw/zinc/27/40/90/188274090.db2.gz BEHBHYYPTOHUHX-UHFFFAOYSA-N 0 0 215.046 2.374 50 0 in-vitro BEAARN O=C([O-])C1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000004638825 188276941 /nfs/dbraw/zinc/27/69/41/188276941.db2.gz HDZKPVPNCZPDQN-UHFFFAOYSA-N 0 0 248.326 2.062 50 0 BEAARN CC(=O)O[C@@H]1CCCC(=O)[C@@H]2CC[C@@H](C)[C@H]21 ZINC000006183179 188278296 /nfs/dbraw/zinc/27/82/96/188278296.db2.gz CTRGTIOYTQSBCH-MWKLQFHZSA-N 0 0 224.300 2.333 50 0 BEAARN COc1ccc(Br)c(C)n1 ZINC000012496071 188279048 /nfs/dbraw/zinc/27/90/48/188279048.db2.gz VWNXCCTWVAQAPL-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN Cc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1 ZINC000018085258 188280412 /nfs/dbraw/zinc/28/04/12/188280412.db2.gz BJQUXXXXEUWVJX-UHFFFAOYSA-N 0 0 220.659 2.399 50 0 BEAARN CC(=O)N[C@H](C)c1ccc(-c2cnn(C)c2)cc1 ZINC000032540654 188284083 /nfs/dbraw/zinc/28/40/83/188284083.db2.gz PTFJZYHOKFKYRO-SNVBAGLBSA-N 0 0 243.310 2.284 50 0 BEAARN S=C1N=NC(c2ccc3c(c2)CCC3)N1 ZINC000036948332 188286431 /nfs/dbraw/zinc/28/64/31/188286431.db2.gz HDEQKMOSDLXFGE-UHFFFAOYSA-N 0 0 217.297 2.249 50 0 BEAARN CC(C)[C@@](C)(O)CNc1cnc2ccccc2n1 ZINC000071902768 188286868 /nfs/dbraw/zinc/28/68/68/188286868.db2.gz IRNTVBXWSFQION-AWEZNQCLSA-N 0 0 245.326 2.449 50 0 BEAARN CC(C)(C)[C@@H](O)CNC(=O)NC1CCCCC1 ZINC000071902358 188287126 /nfs/dbraw/zinc/28/71/26/188287126.db2.gz BATNNZDPBGAYFF-NSHDSACASA-N 0 0 242.363 2.025 50 0 BEAARN CC(=O)Cc1nc(-c2ccc(F)cc2)no1 ZINC000038478263 188290616 /nfs/dbraw/zinc/29/06/16/188290616.db2.gz RCOLPEQBJVRYOP-UHFFFAOYSA-N 0 0 220.203 2.007 50 0 BEAARN Cc1nnc(S[C@H](C)c2cccc(C)c2)n1N ZINC000078930064 188290697 /nfs/dbraw/zinc/29/06/97/188290697.db2.gz GRYUUXJWRBXMTB-SECBINFHSA-N 0 0 248.355 2.462 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000084686970 538114871 /nfs/dbraw/zinc/11/48/71/538114871.db2.gz ZUUWTACKWLYTRM-RFZPGFLSSA-N 0 0 233.193 2.023 50 0 BEAARN CCCn1ccnc1SCc1nc(C)no1 ZINC000040049356 188291737 /nfs/dbraw/zinc/29/17/37/188291737.db2.gz BLFHFNBZUYLAQZ-UHFFFAOYSA-N 0 0 238.316 2.277 50 0 BEAARN COCc1ccccc1C(=O)N1CCCCC1 ZINC000040073294 188291863 /nfs/dbraw/zinc/29/18/63/188291863.db2.gz GKGSDIVGFXDHSK-UHFFFAOYSA-N 0 0 233.311 2.459 50 0 BEAARN Cc1cccc(S(=O)(=O)CCOC(C)C)c1 ZINC000083025391 188295882 /nfs/dbraw/zinc/29/58/82/188295882.db2.gz YZRQAZQTWFMARX-UHFFFAOYSA-N 0 0 242.340 2.194 50 0 BEAARN CC(C)COc1cccc(C(=O)N(C)C)c1 ZINC000045288734 188297607 /nfs/dbraw/zinc/29/76/07/188297607.db2.gz XOMULPYTWPENCK-UHFFFAOYSA-N 0 0 221.300 2.423 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(C)cc2C)[nH]n1 ZINC000048622548 188297917 /nfs/dbraw/zinc/29/79/17/188297917.db2.gz WLUBTUNDFVJYEX-UHFFFAOYSA-N 0 0 243.310 2.265 50 0 BEAARN CC1(C)C[C@]2(CCO1)Nc1ccccc1C(=O)N2 ZINC000049538546 188298461 /nfs/dbraw/zinc/29/84/61/188298461.db2.gz KKHARKNKHDMMSO-CQSZACIVSA-N 0 0 246.310 2.127 50 0 biogenic BEAARN CC(C)(C)N1C[C@@H]1C(=O)OCc1ccccc1 ZINC000055554722 188301713 /nfs/dbraw/zinc/30/17/13/188301713.db2.gz IFSVNDPLBKXYIC-KEKZHRQWSA-N 0 0 233.311 2.213 50 0 BEAARN O=C(c1ccc(-n2cccc2)nc1)N1CCCC1 ZINC000064552797 188304352 /nfs/dbraw/zinc/30/43/52/188304352.db2.gz OGKZOIHTAIFNDZ-UHFFFAOYSA-N 0 0 241.294 2.108 50 0 BEAARN Cc1oncc1C(=O)NCCc1ccsc1 ZINC000090614330 188304611 /nfs/dbraw/zinc/30/46/11/188304611.db2.gz PBYLFKPDZSDGBX-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN COc1ncc(C(=O)Nc2cccc(C)c2)cn1 ZINC000067349695 188304940 /nfs/dbraw/zinc/30/49/40/188304940.db2.gz SAGFVCCISFQQGK-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN CCCc1cnc(C)nc1-c1cc[nH]n1 ZINC000067754847 188305011 /nfs/dbraw/zinc/30/50/11/188305011.db2.gz AZKGOVKELITBAN-UHFFFAOYSA-N 0 0 202.261 2.128 50 0 BEAARN COc1cc(Br)c(F)cc1N ZINC000077032296 188311270 /nfs/dbraw/zinc/31/12/70/188311270.db2.gz WOFOKKKWMDHLEX-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]([NH3+])c2ccccc21 ZINC000084786105 188317241 /nfs/dbraw/zinc/31/72/41/188317241.db2.gz ZYMMFTVNDRHTLJ-SNVBAGLBSA-N 0 0 234.299 2.442 50 0 BEAARN CC(=O)Nc1nnc(-c2cccc(C)c2)o1 ZINC000011613307 188339558 /nfs/dbraw/zinc/33/95/58/188339558.db2.gz IKOPUNUPKHEHGQ-UHFFFAOYSA-N 0 0 217.228 2.003 50 0 BEAARN CC(=O)N1N=C(C)C[C@@H]1c1ccc(O)cc1 ZINC000000493851 188334662 /nfs/dbraw/zinc/33/46/62/188334662.db2.gz XEXDQDGLXRNLDA-GFCCVEGCSA-N 0 0 218.256 2.061 50 0 BEAARN CC(=O)Nc1ccc(-n2cccc2)cc1 ZINC000000361434 188335153 /nfs/dbraw/zinc/33/51/53/188335153.db2.gz ZCHMTLUDLSKEKI-UHFFFAOYSA-N 0 0 200.241 2.436 50 0 BEAARN Cc1ccccc1/C=C/C(=O)NC1CC1 ZINC000008034945 188337426 /nfs/dbraw/zinc/33/74/26/188337426.db2.gz RNJQFCPVSCYLPE-RMKNXTFCSA-N 0 0 201.269 2.287 50 0 BEAARN CC(C)[C@H](C)C(=O)N(C)c1ccccn1 ZINC000172533314 188339154 /nfs/dbraw/zinc/33/91/54/188339154.db2.gz LVQYFPHMPASWFU-JTQLQIEISA-N 0 0 206.289 2.337 50 0 BEAARN COC(=O)n1cc2c(n1)-c1ccccc1OC2 ZINC000001399802 353369100 /nfs/dbraw/zinc/36/91/00/353369100.db2.gz IKITUNCQRZZSFP-UHFFFAOYSA-N 0 0 230.223 2.057 50 0 BEAARN CSc1ncccc1C(=O)N[C@@H](C)C1CC1 ZINC000019228700 188349357 /nfs/dbraw/zinc/34/93/57/188349357.db2.gz WCSCAZYRARGZHD-QMMMGPOBSA-N 0 0 236.340 2.332 50 0 BEAARN C/C=C\C(CC)(C(=O)OCC)C(=O)OCC ZINC000004582538 353385378 /nfs/dbraw/zinc/38/53/78/353385378.db2.gz XKHGXICUYCXHRK-UITAMQMPSA-N 0 0 228.288 2.085 50 0 BEAARN Brc1nsc(C2CCOCC2)n1 ZINC000230109812 188362406 /nfs/dbraw/zinc/36/24/06/188362406.db2.gz FSIMUSKSELUXEI-UHFFFAOYSA-N 0 0 249.133 2.195 50 0 BEAARN c1cn(-c2cc(N[C@H]3C=CCCC3)ncn2)cn1 ZINC000095411600 188363975 /nfs/dbraw/zinc/36/39/75/188363975.db2.gz CWMUCPQENVXARC-NSHDSACASA-N 0 0 241.298 2.183 50 0 BEAARN CC(C)Cn1cc(N[C@H]2CCO[C@@H]2C)cn1 ZINC000097038677 188366054 /nfs/dbraw/zinc/36/60/54/188366054.db2.gz QXNFVPZDQOOKFI-PWSUYJOCSA-N 0 0 223.320 2.128 50 0 BEAARN CC(C)Cn1cc(N[C@@H]2CCO[C@@H]2C)cn1 ZINC000097038673 188366453 /nfs/dbraw/zinc/36/64/53/188366453.db2.gz QXNFVPZDQOOKFI-ZYHUDNBSSA-N 0 0 223.320 2.128 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000242522443 188369477 /nfs/dbraw/zinc/36/94/77/188369477.db2.gz ISZLPPFTZXTGHT-DCAQKATOSA-N 0 0 241.331 2.014 50 0 BEAARN CC(C)=CCNC(=O)N1CCC(CF)CC1 ZINC000297038681 188395148 /nfs/dbraw/zinc/39/51/48/188395148.db2.gz WYMIMTNSKQGPKG-UHFFFAOYSA-N 0 0 228.311 2.344 50 0 BEAARN CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000191418220 353469728 /nfs/dbraw/zinc/46/97/28/353469728.db2.gz PXRRLFUIJXACSY-MNOVXSKESA-N 0 0 213.321 2.218 50 0 BEAARN O=C(Nc1scnc1C1CC1)[C@H]1CCCO1 ZINC000095447525 353564935 /nfs/dbraw/zinc/56/49/35/353564935.db2.gz TVPDXWBGVFWUOW-MRVPVSSYSA-N 0 0 238.312 2.138 50 0 BEAARN Fc1ccc2nc(CN3CCCCC3)cn2c1 ZINC000065239663 180992169 /nfs/dbraw/zinc/99/21/69/180992169.db2.gz ZQGUNYWUBRUWDP-UHFFFAOYSA-N 0 0 233.290 2.459 50 0 BEAARN O=C(CCOc1ccccc1F)N1CCCC1 ZINC000046466863 353716234 /nfs/dbraw/zinc/71/62/34/353716234.db2.gz TZYXOGHFUFVFFN-UHFFFAOYSA-N 0 0 237.274 2.217 50 0 BEAARN Fc1cccc2sc(N3CCOCC3)nc21 ZINC000004078339 181009447 /nfs/dbraw/zinc/00/94/47/181009447.db2.gz FCTSGZPILMIUTP-UHFFFAOYSA-N 0 0 238.287 2.272 50 0 BEAARN Fc1cccnc1NC[C@@H]1CCCOC1 ZINC000054700680 181015288 /nfs/dbraw/zinc/01/52/88/181015288.db2.gz JTIBRXZUSMPHIS-VIFPVBQESA-N 0 0 210.252 2.059 50 0 BEAARN Fc1ccccc1[C@H]1NCCn2cccc21 ZINC000056894650 181015432 /nfs/dbraw/zinc/01/54/32/181015432.db2.gz RCGRCTXPSVQZEH-CYBMUJFWSA-N 0 0 216.259 2.320 50 0 BEAARN Fc1cncc(CNCc2cncc(F)c2)c1 ZINC000095644699 181019344 /nfs/dbraw/zinc/01/93/44/181019344.db2.gz KTHGMOBXEVLFKU-UHFFFAOYSA-N 0 0 235.237 2.045 50 0 BEAARN Fc1cnc2[nH]ccc2c1Br ZINC000095920061 181019494 /nfs/dbraw/zinc/01/94/94/181019494.db2.gz OYFURRWOJZGCSQ-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN CC(C)(C)[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000046801570 353834144 /nfs/dbraw/zinc/83/41/44/353834144.db2.gz NPEKXVTWBDQQLV-VHSXEESVSA-N 0 0 233.377 2.141 50 0 BEAARN Fc1cncc(NCc2cscn2)c1 ZINC000300894296 181021188 /nfs/dbraw/zinc/02/11/88/181021188.db2.gz MYDZGUYRSXUVEU-UHFFFAOYSA-N 0 0 209.249 2.289 50 0 BEAARN Fc1cncc(NCc2cncs2)c1 ZINC000300934305 181021209 /nfs/dbraw/zinc/02/12/09/181021209.db2.gz RILQYGLATFDWGC-UHFFFAOYSA-N 0 0 209.249 2.289 50 0 BEAARN C[C@H](F)CCNC(=O)N1CCCC[C@@H]1C ZINC000334678825 354424204 /nfs/dbraw/zinc/42/42/04/354424204.db2.gz HYADTCHCKUEXKM-UWVGGRQHSA-N 0 0 216.300 2.319 50 0 BEAARN Cc1ncsc1NC(=O)[C@@H]1CC1(F)F ZINC000334651354 354443625 /nfs/dbraw/zinc/44/36/25/354443625.db2.gz LDHCKXIAVSVIFL-YFKPBYRVSA-N 0 0 218.228 2.045 50 0 BEAARN CCN(C(=O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000032768788 354475771 /nfs/dbraw/zinc/47/57/71/354475771.db2.gz IEAWUWAKTNKSAE-UHFFFAOYSA-N 0 0 247.273 2.226 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1cccnc1OC ZINC000032755111 354543823 /nfs/dbraw/zinc/54/38/23/354543823.db2.gz XJQFFKRGGQZTPL-LLVKDONJSA-N 0 0 248.326 2.495 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2cccnc2)o1 ZINC000032721738 354524574 /nfs/dbraw/zinc/52/45/74/354524574.db2.gz XYKQKEJGDCYQIX-JTQLQIEISA-N 0 0 230.267 2.474 50 0 BEAARN O=C([C@@H]1Cc2ccccc2S1)N1CCCC1 ZINC000032876652 354555358 /nfs/dbraw/zinc/55/53/58/354555358.db2.gz WUZUZBOLYMKPLF-LBPRGKRZSA-N 0 0 233.336 2.326 50 0 BEAARN Cc1ccc(F)c(NC(=O)c2cnn(C)c2)c1 ZINC000015604325 354868149 /nfs/dbraw/zinc/86/81/49/354868149.db2.gz FVLZXVOZTGFFGA-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN CC[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000040514187 358494143 /nfs/dbraw/zinc/49/41/43/358494143.db2.gz AAGUGWGPZPKMLL-SNVBAGLBSA-N 0 0 222.288 2.245 50 0 BEAARN N#CN(C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000335791669 355443949 /nfs/dbraw/zinc/44/39/49/355443949.db2.gz PJFPGSJWQQMROO-JTQLQIEISA-N 0 0 220.247 2.150 50 0 BEAARN CCCCC[C@@H](C)NC(=O)[C@@H]1CCCO1 ZINC000006042413 355530037 /nfs/dbraw/zinc/53/00/37/355530037.db2.gz HUOJFXFCPQZHQO-MNOVXSKESA-N 0 0 213.321 2.250 50 0 BEAARN Fc1cccc2oc(N3CCCCN3)nc21 ZINC000335830044 355555858 /nfs/dbraw/zinc/55/58/58/355555858.db2.gz JWOSOSMHAZDHQV-UHFFFAOYSA-N 0 0 221.235 2.072 50 0 BEAARN N=C1NC(=O)[C@H](c2ccccc2Cl)S1 ZINC000005165707 181207610 /nfs/dbraw/zinc/20/76/10/181207610.db2.gz TWJSQVWAFZYKCQ-ZETCQYMHSA-N 0 0 226.688 2.179 50 0 BEAARN CCN(Cc1cc[nH]n1)c1ccccc1 ZINC000191459806 355684466 /nfs/dbraw/zinc/68/44/66/355684466.db2.gz PSROCOKHAMADJB-UHFFFAOYSA-N 0 0 201.273 2.436 50 0 BEAARN Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)cn1 ZINC000047557173 355766650 /nfs/dbraw/zinc/76/66/50/355766650.db2.gz HTAGXMLXFOLLRR-GFCCVEGCSA-N 0 0 230.311 2.363 50 0 BEAARN CC[C@@H](C)NC(=O)N[C@H](C)c1ccccn1 ZINC000047576750 355770343 /nfs/dbraw/zinc/77/03/43/355770343.db2.gz VNVNGBCISLEPMA-NXEZZACHSA-N 0 0 221.304 2.240 50 0 BEAARN CCN(Cc1noc(C)n1)c1cccc(O)c1 ZINC000191552049 355731961 /nfs/dbraw/zinc/73/19/61/355731961.db2.gz LZFSUZQICGJSTO-UHFFFAOYSA-N 0 0 233.271 2.110 50 0 BEAARN NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000012341602 181211302 /nfs/dbraw/zinc/21/13/02/181211302.db2.gz VETMUDCRMKPGOI-SNAWJCMRSA-N 0 0 215.174 2.204 50 0 BEAARN NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000396436 181213961 /nfs/dbraw/zinc/21/39/61/181213961.db2.gz ZXQVXEAZKZFEEP-UHFFFAOYSA-N 0 0 211.264 2.304 50 0 BEAARN NC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000017836876 181215047 /nfs/dbraw/zinc/21/50/47/181215047.db2.gz FMXPGWNCORDLEA-JZVMUCMXSA-N 0 0 213.708 2.050 50 0 BEAARN Cc1ccc(NC(=O)NC[C@@H](C)O)cc1Cl ZINC000006071235 355831551 /nfs/dbraw/zinc/83/15/51/355831551.db2.gz RBKPCJJEFJPCTB-MRVPVSSYSA-N 0 0 242.706 2.151 50 0 BEAARN NC(=O)C1c2ccccc2-c2ccccc21 ZINC000001594750 181218098 /nfs/dbraw/zinc/21/80/98/181218098.db2.gz NMLCQSAJFUXACX-UHFFFAOYSA-N 0 0 209.248 2.284 50 0 BEAARN CCc1c(C)[nH]c(=S)c(C(N)=O)c1C ZINC000002841498 355937689 /nfs/dbraw/zinc/93/76/89/355937689.db2.gz QCGJGQPWBQMGTR-UHFFFAOYSA-N 0 0 210.302 2.022 50 0 BEAARN NC(=O)C1c2ccccc2CCc2ccccc21 ZINC000000001236 181218003 /nfs/dbraw/zinc/21/80/03/181218003.db2.gz APBVLLORZMAWKI-UHFFFAOYSA-N 0 0 237.302 2.402 50 0 in-man BEAARN NC(=O)CSc1ccc(Br)cc1 ZINC000002847194 181240856 /nfs/dbraw/zinc/24/08/56/181240856.db2.gz JANRZFAWSQOJTP-UHFFFAOYSA-N 0 0 246.129 2.027 50 0 BEAARN NC(=O)CSC1=Nc2ccccc2CS1 ZINC000005296294 181239800 /nfs/dbraw/zinc/23/98/00/181239800.db2.gz ZTCCEXPVUAAUFG-UHFFFAOYSA-N 0 0 238.337 2.139 50 0 BEAARN NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000067899964 181227610 /nfs/dbraw/zinc/22/76/10/181227610.db2.gz WEQVYXYRLYNHCC-UHFFFAOYSA-N 0 0 233.311 2.426 50 0 BEAARN NC(=O)C[C@H](Cc1ccccc1)c1ccco1 ZINC000000489822 181243569 /nfs/dbraw/zinc/24/35/69/181243569.db2.gz KXCPZNDCHCRVAZ-LBPRGKRZSA-N 0 0 229.279 2.481 50 0 biogenic BEAARN NC(=O)NCc1c(F)cccc1C(F)(F)F ZINC000035973428 181259120 /nfs/dbraw/zinc/25/91/20/181259120.db2.gz NLKRQVSNIXWLBR-UHFFFAOYSA-N 0 0 236.168 2.013 50 0 BEAARN NC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000102799534 181262416 /nfs/dbraw/zinc/26/24/16/181262416.db2.gz ZBRWCLXZZPLGHY-UHFFFAOYSA-N 0 0 222.141 2.335 50 0 BEAARN CS[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000047895776 356337541 /nfs/dbraw/zinc/33/75/41/356337541.db2.gz DZPKIGKPAISSRY-MRVPVSSYSA-N 0 0 238.312 2.086 50 0 BEAARN COC(=O)N1[C@]23CC=CC[C@]12CCCC3 ZINC000045069436 356372708 /nfs/dbraw/zinc/37/27/08/356372708.db2.gz MFVZGXWQXHWSCS-FUNVUKJBSA-N 0 0 207.273 2.470 50 0 BEAARN CCS(=O)(=O)N1CCC[C@H]1c1cccs1 ZINC000015836233 356377748 /nfs/dbraw/zinc/37/77/48/356377748.db2.gz ZJPZFLIKYVZNOF-VIFPVBQESA-N 0 0 245.369 2.235 50 0 BEAARN O=S1(=O)C[C@]23C=CC=C[C@@]2(C1)CCCC3 ZINC000039213134 356370275 /nfs/dbraw/zinc/37/02/75/356370275.db2.gz MTWNKCORRAQHGF-TXEJJXNPSA-N 0 0 224.325 2.088 50 0 BEAARN c1nc2ncnc(NC[C@H]3CC=CCC3)c2[nH]1 ZINC000049281694 356411099 /nfs/dbraw/zinc/41/10/99/356411099.db2.gz LJNUPNKKQIXIRQ-VIFPVBQESA-N 0 0 229.287 2.121 50 0 BEAARN NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000072406707 181274674 /nfs/dbraw/zinc/27/46/74/181274674.db2.gz CHBQGFRKOKEJCF-DTWKUNHWSA-N 0 0 229.201 2.294 50 0 BEAARN CCOC(=O)[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000049368588 356418730 /nfs/dbraw/zinc/41/87/30/356418730.db2.gz PGXIARWMSVPWGX-WDEREUQCSA-N 0 0 221.300 2.289 50 0 BEAARN CSc1ccccc1C(=O)Nc1cn[nH]c1 ZINC000035237410 356423642 /nfs/dbraw/zinc/42/36/42/356423642.db2.gz NLPWLPVAFXFNOK-UHFFFAOYSA-N 0 0 233.296 2.384 50 0 BEAARN Cc1ccc(CN(C)c2ncccn2)cc1 ZINC000012552201 356423868 /nfs/dbraw/zinc/42/38/68/356423868.db2.gz OBLLVUIEHOMZFL-UHFFFAOYSA-N 0 0 213.284 2.421 50 0 BEAARN NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076939800 181273992 /nfs/dbraw/zinc/27/39/92/181273992.db2.gz MBNFAZWNZIQYFM-NTSWFWBYSA-N 0 0 213.639 2.068 50 0 BEAARN NC(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000033433823 181278906 /nfs/dbraw/zinc/27/89/06/181278906.db2.gz QEBZGDYGMMSNRY-CYBMUJFWSA-N 0 0 227.263 2.292 50 0 BEAARN NC(=O)[C@H](NCc1ccccc1)c1ccccc1 ZINC000016956101 181278211 /nfs/dbraw/zinc/27/82/11/181278211.db2.gz PYVTTZQYAVUMNV-CQSZACIVSA-N 0 0 240.306 2.003 50 0 BEAARN NC(=O)c1c(Cl)cccc1C(F)(F)F ZINC000038529622 181285540 /nfs/dbraw/zinc/28/55/40/181285540.db2.gz JUAICIUGQMFFPO-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN NC(=O)c1c(Cl)cnc(Cl)c1Cl ZINC000043827485 181285622 /nfs/dbraw/zinc/28/56/22/181285622.db2.gz YCMMUAJQJPKMRS-UHFFFAOYSA-N 0 0 225.462 2.141 50 0 BEAARN Cc1ncccc1NC(=O)C1CC(F)(F)C1 ZINC000336168031 134113941 /nfs/dbraw/zinc/11/39/41/134113941.db2.gz GUZWOMAUYSCHQM-UHFFFAOYSA-N 0 0 226.226 2.374 50 0 BEAARN FC1(F)CC[C@@H](CSc2nc[nH]n2)C1 ZINC000336195224 134125648 /nfs/dbraw/zinc/12/56/48/134125648.db2.gz VIWFARJSEGJTFP-ZCFIWIBFSA-N 0 0 219.260 2.332 50 0 BEAARN NC(=O)c1cc(-n2cnc3ccccc32)cs1 ZINC000065428437 181287418 /nfs/dbraw/zinc/28/74/18/181287418.db2.gz CKPOXVKKOWRCOC-UHFFFAOYSA-N 0 0 243.291 2.186 50 0 BEAARN C[C@@H]1CN([C@H]2C[C@@H](C)OC2=O)[C@@H]1c1ccccc1 ZINC000252517958 363539823 /nfs/dbraw/zinc/53/98/23/363539823.db2.gz VZPKTQTXIBKXIT-RFHZTLPTSA-N 0 0 245.322 2.383 50 0 BEAARN CC(=O)[C@@H]1COc2c(F)cc(F)cc2C1 ZINC000675063813 538490466 /nfs/dbraw/zinc/49/04/66/538490466.db2.gz PFACVXGSKMFEMK-QMMMGPOBSA-N 0 0 212.195 2.105 50 0 BEAARN CC(=O)[C@H]1COc2c(F)cc(F)cc2C1 ZINC000675063812 538490471 /nfs/dbraw/zinc/49/04/71/538490471.db2.gz PFACVXGSKMFEMK-MRVPVSSYSA-N 0 0 212.195 2.105 50 0 BEAARN CC(C)[C@]1(C)NC(=O)N(c2ccc(F)cc2)N1 ZINC000334160418 134159831 /nfs/dbraw/zinc/15/98/31/134159831.db2.gz DKNVQTSWDWQUIG-GFCCVEGCSA-N 0 0 237.278 2.232 50 0 BEAARN CC(C)=CC(=O)N(CCO)Cc1ccccc1C ZINC000067649535 535341901 /nfs/dbraw/zinc/34/19/01/535341901.db2.gz PDNBMSQVLRSFQR-UHFFFAOYSA-N 0 0 247.338 2.282 50 0 BEAARN CCC1CCC2(CC1)O[C@@]2(C)C(=O)OC ZINC000085657946 538544118 /nfs/dbraw/zinc/54/41/18/538544118.db2.gz GYAWPKCREUQGKJ-ZYXZCXLHSA-N 0 0 212.289 2.287 50 0 BEAARN COC(=O)[C@@H]1O[C@]1(C)c1ccccc1Cl ZINC000085657571 538544999 /nfs/dbraw/zinc/54/49/99/538544999.db2.gz JOIFRFLAWONKLV-GXSJLCMTSA-N 0 0 226.659 2.127 50 0 BEAARN CNC(=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000095396870 538607536 /nfs/dbraw/zinc/60/75/36/538607536.db2.gz ZWGPEAZNLXAPGK-STQMWFEESA-N 0 0 248.326 2.306 50 0 BEAARN CC(C)CNC(=O)C1=C(Cl)CCC1 ZINC000089840230 538584336 /nfs/dbraw/zinc/58/43/36/538584336.db2.gz LOQNBZWPOHFJOP-UHFFFAOYSA-N 0 0 201.697 2.435 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(C2CCC2)nn1C ZINC000089921929 538586530 /nfs/dbraw/zinc/58/65/30/538586530.db2.gz OIAWQAVYYZVPQJ-SCZZXKLOSA-N 0 0 233.315 2.282 50 0 BEAARN C[C@@H]1CC[C@@H](C)N1C(=O)C1=CCCCO1 ZINC000089922737 538586989 /nfs/dbraw/zinc/58/69/89/538586989.db2.gz ZKZGUBTZAXCIJO-NXEZZACHSA-N 0 0 209.289 2.080 50 0 BEAARN O=C(N[C@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000095401258 538607625 /nfs/dbraw/zinc/60/76/25/538607625.db2.gz LYASYPJZWXINTL-NEPJUHHUSA-N 0 0 207.317 2.481 50 0 BEAARN C[C@@H](OC1CCCCC1)C(=O)N1CCCC1 ZINC000095397171 538607665 /nfs/dbraw/zinc/60/76/65/538607665.db2.gz PBDXDKXDZAMASC-LLVKDONJSA-N 0 0 225.332 2.347 50 0 BEAARN CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000095396258 538606835 /nfs/dbraw/zinc/60/68/35/538606835.db2.gz LPOGUUHMZPLHAS-LLVKDONJSA-N 0 0 240.253 2.441 50 0 BEAARN C[C@H](C(N)=O)N1CCC(=Cc2ccccc2)CC1 ZINC000095408349 538609760 /nfs/dbraw/zinc/60/97/60/538609760.db2.gz KCTMONRZRFGUPB-GFCCVEGCSA-N 0 0 244.338 2.040 50 0 BEAARN CN(C(=O)c1ccc[nH]1)c1ccc2c(c1)CCO2 ZINC000095415975 538611018 /nfs/dbraw/zinc/61/10/18/538611018.db2.gz VURBTCGHPUURIW-UHFFFAOYSA-N 0 0 242.278 2.226 50 0 BEAARN Cc1cc(NCc2nc3ccccc3n2C)no1 ZINC000095990333 538611935 /nfs/dbraw/zinc/61/19/35/538611935.db2.gz UCSWBOSWNAHEQL-UHFFFAOYSA-N 0 0 242.282 2.482 50 0 BEAARN Cc1cnc(C(C)(C)[NH2+][C@H]2CCO[C@H]2C)s1 ZINC000095991507 538614943 /nfs/dbraw/zinc/61/49/43/538614943.db2.gz NGEQHHPEIGRNDF-UWVGGRQHSA-N 0 0 240.372 2.454 50 0 BEAARN NC(=O)c1cc(Cl)cc(F)c1Cl ZINC000263623394 181289072 /nfs/dbraw/zinc/28/90/72/181289072.db2.gz HBQZSUDPRSIYLH-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN O=C(c1cscn1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000098013198 538713814 /nfs/dbraw/zinc/71/38/14/538713814.db2.gz HIDRUNSKDSZYJB-NXEZZACHSA-N 0 0 234.324 2.181 50 0 BEAARN COc1ccc(Cl)cc1NCn1cncn1 ZINC000075261074 356923837 /nfs/dbraw/zinc/92/38/37/356923837.db2.gz ZZVPACWGIXEQPQ-UHFFFAOYSA-N 0 0 238.678 2.010 50 0 BEAARN S=C1Nc2cccnc2-c2ncccc2N1 ZINC000075260832 356928397 /nfs/dbraw/zinc/92/83/97/356928397.db2.gz OBFOJOIGSQABJA-UHFFFAOYSA-N 0 0 228.280 2.486 50 0 BEAARN COc1ccc(C(=O)N2CCCCCC2=O)cc1 ZINC000075283299 356939614 /nfs/dbraw/zinc/93/96/14/356939614.db2.gz LVWISVWPLCGKHS-UHFFFAOYSA-N 0 0 247.294 2.238 50 0 BEAARN CCC(C)(C)CC[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000261582720 535351601 /nfs/dbraw/zinc/35/16/01/535351601.db2.gz OOWCGFGBTZLISH-JTQLQIEISA-N 0 0 213.321 2.219 50 0 BEAARN CCCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC000007040034 357036619 /nfs/dbraw/zinc/03/66/19/357036619.db2.gz HHGMABIUCIATKX-UHFFFAOYSA-N 0 0 249.266 2.357 50 0 BEAARN O=C(c1cc(O)ccc1F)N1CCCCC1 ZINC000261494256 491106911 /nfs/dbraw/zinc/10/69/11/491106911.db2.gz SVFUFINTBXPLEP-UHFFFAOYSA-N 0 0 223.247 2.157 50 0 BEAARN O=C([O-])c1ccc(N[NH+]=C2CCCCCN2)cc1 ZINC000006251311 357225059 /nfs/dbraw/zinc/22/50/59/357225059.db2.gz SRYNTBQVGKHVQL-UHFFFAOYSA-N 0 0 247.298 2.274 50 0 BEAARN O=C1CSC(=O)N1CCCc1ccccc1 ZINC000006281449 357243298 /nfs/dbraw/zinc/24/32/98/357243298.db2.gz QAAPPPOKFFBNAM-UHFFFAOYSA-N 0 0 235.308 2.315 50 0 BEAARN Cc1csc(S[C@@H]2C[C@H](C)OC2=O)n1 ZINC000040462980 357496630 /nfs/dbraw/zinc/49/66/30/357496630.db2.gz WESVSHWUCCCNND-NKWVEPMBSA-N 0 0 229.326 2.248 50 0 BEAARN Cc1c([C@H](C)NC(=O)[C@@H]2CC=CCC2)cnn1C ZINC000025001350 357740658 /nfs/dbraw/zinc/74/06/58/357740658.db2.gz ZRIWVJQQFSTCRO-CMPLNLGQSA-N 0 0 247.342 2.262 50 0 BEAARN CN(C)c1ccc(N=NC2N=NN=N2)cc1 ZINC000038207132 358054034 /nfs/dbraw/zinc/05/40/34/358054034.db2.gz MMFAICNMQAVAGQ-UHFFFAOYSA-N 0 0 217.236 2.269 50 0 BEAARN CC(=O)N[C@@H]1CCOc2ccc(Cl)cc21 ZINC000049597412 358076278 /nfs/dbraw/zinc/07/62/78/358076278.db2.gz SQVANYZYWIIWRP-SNVBAGLBSA-N 0 0 225.675 2.300 50 0 BEAARN O=C(OCc1ccccc1)[C@H]1CC[C@@H](O)CC1 ZINC000584643470 358328767 /nfs/dbraw/zinc/32/87/67/358328767.db2.gz JTBAIIGZIKLABZ-BETUJISGSA-N 0 0 234.295 2.281 50 0 BEAARN CCN(CC)C(=O)/C=C\c1ccc(C)o1 ZINC000033910054 358450515 /nfs/dbraw/zinc/45/05/15/358450515.db2.gz QJUMLZXFYRYSJP-HJWRWDBZSA-N 0 0 207.273 2.470 50 0 BEAARN CCc1cc(C(=O)N2CCOCC2)sc1C ZINC000046869859 358581882 /nfs/dbraw/zinc/58/18/82/358581882.db2.gz SUBPYSQYEBTOPB-UHFFFAOYSA-N 0 0 239.340 2.091 50 0 BEAARN O=C1CCCCC(=O)c2ccccc2N1 ZINC000000050037 358609397 /nfs/dbraw/zinc/60/93/97/358609397.db2.gz QYWBVSRVOJXMFZ-UHFFFAOYSA-N 0 0 203.241 2.382 50 0 BEAARN Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000212248278 358587532 /nfs/dbraw/zinc/58/75/32/358587532.db2.gz HFAPEVKBJDJUNO-UHFFFAOYSA-N 0 0 217.247 2.082 50 0 BEAARN C[C@@H](NC(N)=O)c1c(F)cccc1Cl ZINC000176924105 134294961 /nfs/dbraw/zinc/29/49/61/134294961.db2.gz UJZVPHHTNZHIDU-RXMQYKEDSA-N 0 0 216.643 2.208 50 0 BEAARN CCc1nc(S[C@@H](C)CCCOC)n[nH]1 ZINC000089279783 358951510 /nfs/dbraw/zinc/95/15/10/358951510.db2.gz CXMDOPBOJDNBKX-QMMMGPOBSA-N 0 0 229.349 2.274 50 0 BEAARN COc1cccc(-c2c[nH]cc2C(=O)N(C)C)c1 ZINC000069418923 359029533 /nfs/dbraw/zinc/02/95/33/359029533.db2.gz GYIZJILTLSONOF-UHFFFAOYSA-N 0 0 244.294 2.392 50 0 BEAARN C[C@H](N[C@@H](C)c1ccccn1)c1nccn1C ZINC000070443530 359054048 /nfs/dbraw/zinc/05/40/48/359054048.db2.gz RDOGAVVWTQSKIQ-QWRGUYRKSA-N 0 0 230.315 2.227 50 0 BEAARN Fc1ccc(Cc2nc([C@H]3CCOC3)no2)cc1 ZINC000075107962 359138943 /nfs/dbraw/zinc/13/89/43/359138943.db2.gz YYKKLCAGTKEGBL-JTQLQIEISA-N 0 0 248.257 2.303 50 0 BEAARN CCN(Cc1nnc(-c2ccco2)o1)C1CC1 ZINC000040528241 359313862 /nfs/dbraw/zinc/31/38/62/359313862.db2.gz DYLRJAVWXSXGQS-UHFFFAOYSA-N 0 0 233.271 2.314 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(C)s2)no1 ZINC000040541726 359358884 /nfs/dbraw/zinc/35/88/84/359358884.db2.gz CXDLEKBUTMRSRC-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN COC(=O)c1c(F)nccc1C(F)(F)F ZINC000116882005 359806929 /nfs/dbraw/zinc/80/69/29/359806929.db2.gz ZPRWIBLZWSOXHS-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN O=C1[C@H](SC2CCCC2)CCN1C1CC1 ZINC000089818168 360042634 /nfs/dbraw/zinc/04/26/34/360042634.db2.gz PIBOISKLYNDWTH-LLVKDONJSA-N 0 0 225.357 2.426 50 0 BEAARN NC(=O)c1ccc(Oc2ccccc2O)c(F)c1 ZINC000037674620 181300926 /nfs/dbraw/zinc/30/09/26/181300926.db2.gz QPRLDDUZJVXUMF-UHFFFAOYSA-N 0 0 247.225 2.423 50 0 BEAARN Cn1ccc(Cn2cc(-c3ccccc3)cn2)n1 ZINC000095450382 360337114 /nfs/dbraw/zinc/33/71/14/360337114.db2.gz ZPLZKFHQDARNJQ-UHFFFAOYSA-N 0 0 238.294 2.332 50 0 BEAARN NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000089781030 181301483 /nfs/dbraw/zinc/30/14/83/181301483.db2.gz WYDLODRNDZRGQS-UHFFFAOYSA-N 0 0 219.284 2.497 50 0 BEAARN Cc1c(C)n(-c2ccccn2)c2ncnc(N)c12 ZINC000006672310 360570393 /nfs/dbraw/zinc/57/03/93/360570393.db2.gz PPBZWZKBEYQAQV-UHFFFAOYSA-N 0 0 239.282 2.015 50 0 BEAARN NC(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000065339983 181302277 /nfs/dbraw/zinc/30/22/77/181302277.db2.gz WRNBFCNDBCEGDT-UHFFFAOYSA-N 0 0 213.236 2.158 50 0 BEAARN Cc1ccc(CC(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000006699901 360609038 /nfs/dbraw/zinc/60/90/38/360609038.db2.gz OSQAUKKBSOKXSO-TZMCWYRMSA-N 0 0 247.338 2.221 50 0 BEAARN CCCC(=O)Nc1ccc2n[nH]cc2c1 ZINC000006700539 360609192 /nfs/dbraw/zinc/60/91/92/360609192.db2.gz XICIUXBJKKKUFP-UHFFFAOYSA-N 0 0 203.245 2.302 50 0 BEAARN NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000009953126 181304525 /nfs/dbraw/zinc/30/45/25/181304525.db2.gz UAKYHBDQHMPZCU-UHFFFAOYSA-N 0 0 246.310 2.304 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1cc(C)no1 ZINC000006738059 360704701 /nfs/dbraw/zinc/70/47/01/360704701.db2.gz ATWGAIQIIIRTOU-SNVBAGLBSA-N 0 0 222.288 2.388 50 0 BEAARN CC[C@@H](C)Nc1c(=O)c(=O)c1-c1ccccc1 ZINC000006749109 360715245 /nfs/dbraw/zinc/71/52/45/360715245.db2.gz HKHGIPRARSRJEX-SECBINFHSA-N 0 0 229.279 2.160 50 0 BEAARN NC(=O)c1cnc2cc(F)c(F)cc2c1Cl ZINC000044138039 181308857 /nfs/dbraw/zinc/30/88/57/181308857.db2.gz KQNDYIGBWIWZTB-UHFFFAOYSA-N 0 0 242.612 2.265 50 0 BEAARN NC(=O)c1ccnc(-c2ccc3[nH]ccc3c2)c1 ZINC000067741366 181307807 /nfs/dbraw/zinc/30/78/07/181307807.db2.gz IJXIHEYSGVJWAG-UHFFFAOYSA-N 0 0 237.262 2.329 50 0 BEAARN CC(C)c1nnc(SC[C@@H]2CCCO2)[nH]1 ZINC000006782165 360780012 /nfs/dbraw/zinc/78/00/12/360780012.db2.gz FXXCECMXBPMFNO-QMMMGPOBSA-N 0 0 227.333 2.199 50 0 BEAARN CC(C)c1nnc(SC[C@H]2CCCO2)[nH]1 ZINC000006782167 360780199 /nfs/dbraw/zinc/78/01/99/360780199.db2.gz FXXCECMXBPMFNO-MRVPVSSYSA-N 0 0 227.333 2.199 50 0 BEAARN CN(C)c1ccc(NC(=O)c2ccccn2)cc1 ZINC000006784524 360782707 /nfs/dbraw/zinc/78/27/07/360782707.db2.gz KKUFYUVRYHPVPG-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN CC(C)(C)c1csc(-c2nc[nH]n2)n1 ZINC000061844338 219876265 /nfs/dbraw/zinc/87/62/65/219876265.db2.gz KRKMUGUMEDGWOK-UHFFFAOYSA-N 0 0 208.290 2.226 50 0 BEAARN NC(=S)COc1ccc(Cl)cc1 ZINC000000119900 181316395 /nfs/dbraw/zinc/31/63/95/181316395.db2.gz AIOQDHOVIDONNW-UHFFFAOYSA-N 0 0 201.678 2.005 50 0 BEAARN NC(=S)Cc1ccc(-c2csnn2)cc1 ZINC000000165081 181317488 /nfs/dbraw/zinc/31/74/88/181317488.db2.gz FFXNUUZEYJHLNE-UHFFFAOYSA-N 0 0 235.337 2.034 50 0 BEAARN NC(=S)SCCOc1ccccc1 ZINC000002998301 181319625 /nfs/dbraw/zinc/31/96/25/181319625.db2.gz CLNZZBGNBAKNBT-UHFFFAOYSA-N 0 0 213.327 2.042 50 0 BEAARN NC(=S)Nc1ccc(F)cc1Br ZINC000012336811 181319668 /nfs/dbraw/zinc/31/96/68/181319668.db2.gz DDCWFQALPPXVMX-UHFFFAOYSA-N 0 0 249.108 2.244 50 0 BEAARN COC(=O)c1cc(F)nc(C(F)(F)F)c1 ZINC000238364664 360950498 /nfs/dbraw/zinc/95/04/98/360950498.db2.gz FUUZPODFGKPMDK-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN COC(=O)[C@@H](C)Oc1ccc(C)cc1C ZINC000006844173 360991851 /nfs/dbraw/zinc/99/18/51/360991851.db2.gz UYKPOWLXZPFYTL-SNVBAGLBSA-N 0 0 208.257 2.244 50 0 BEAARN COC(=O)c1ccc(F)nc1C(F)(F)F ZINC000238391428 360994492 /nfs/dbraw/zinc/99/44/92/360994492.db2.gz VHAOZUPEYJTEOP-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN CCCN(C[C@H]1CCOC1)C(=O)c1ccco1 ZINC000169749098 361023445 /nfs/dbraw/zinc/02/34/45/361023445.db2.gz PFQNPDOBXPGCKY-LLVKDONJSA-N 0 0 237.299 2.168 50 0 BEAARN O=C([C@@H]1Cc2ccccc2O1)N1CCCCCC1 ZINC000036393272 361077597 /nfs/dbraw/zinc/07/75/97/361077597.db2.gz NLNWDJASSDAIMX-AWEZNQCLSA-N 0 0 245.322 2.393 50 0 BEAARN Cc1ccc([C@H](O)CNC(=O)C2CCCC2)cc1 ZINC000036397310 361082452 /nfs/dbraw/zinc/08/24/52/361082452.db2.gz FKQAKABHILEWAL-CQSZACIVSA-N 0 0 247.338 2.335 50 0 BEAARN C[C@@H](CC(=O)Nc1ccccc1)n1ccnc1 ZINC000006908458 361127217 /nfs/dbraw/zinc/12/72/17/361127217.db2.gz GPXFAKIOKWJEMV-NSHDSACASA-N 0 0 229.283 2.473 50 0 BEAARN C[C@H](C(=O)NCC1=CCCCC1)n1ccnc1 ZINC000426656951 200994328 /nfs/dbraw/zinc/99/43/28/200994328.db2.gz MTIDCRAUTYSRHD-LLVKDONJSA-N 0 0 233.315 2.061 50 0 BEAARN COc1c(C)cc(-c2nc(C)n(C)n2)cc1C ZINC000426627826 200994709 /nfs/dbraw/zinc/99/47/09/200994709.db2.gz QGZZAXYMINWNKX-UHFFFAOYSA-N 0 0 231.299 2.416 50 0 BEAARN CN(CC(=O)NCc1ccco1)c1ccccc1 ZINC000007115432 361383780 /nfs/dbraw/zinc/38/37/80/361383780.db2.gz JHPZRQICJKTDNM-UHFFFAOYSA-N 0 0 244.294 2.032 50 0 BEAARN CC(C)(C)CC(=O)N1CC(Oc2cccnc2)C1 ZINC000238875043 361396687 /nfs/dbraw/zinc/39/66/87/361396687.db2.gz NVHJIDOFHWNFMV-UHFFFAOYSA-N 0 0 248.326 2.107 50 0 BEAARN COCc1cccc(NCc2c[nH]nc2C)c1 ZINC000036918286 361578597 /nfs/dbraw/zinc/57/85/97/361578597.db2.gz SVNDYDKLQVBXDW-UHFFFAOYSA-N 0 0 231.299 2.477 50 0 BEAARN CNC(=O)c1cc(Cl)c(Cl)cc1OC ZINC000195534751 361700427 /nfs/dbraw/zinc/70/04/27/361700427.db2.gz PUSIHMGJCOQLDB-UHFFFAOYSA-N 0 0 234.082 2.362 50 0 BEAARN Cc1sc(C(N)=O)nc1OCc1ccccc1 ZINC000584883700 541307150 /nfs/dbraw/zinc/30/71/50/541307150.db2.gz BWKMESJVMOLSDC-UHFFFAOYSA-N 0 0 248.307 2.129 50 0 BEAARN C[C@H](CNC(=S)NC1CC1)c1ccccc1 ZINC000007621165 363995561 /nfs/dbraw/zinc/99/55/61/363995561.db2.gz SICAEYXBKBWVDK-SNVBAGLBSA-N 0 0 234.368 2.417 50 0 BEAARN CCOc1ccc2c(c1)OC[C@H](C(C)=O)C2 ZINC000675063714 541465638 /nfs/dbraw/zinc/46/56/38/541465638.db2.gz LUVLSXHBNBKZNP-LLVKDONJSA-N 0 0 220.268 2.225 50 0 BEAARN CC(=O)[C@@H]1COc2c(Cl)cccc2C1 ZINC000675063728 541465739 /nfs/dbraw/zinc/46/57/39/541465739.db2.gz MHXNZSPGAFZTMO-VIFPVBQESA-N 0 0 210.660 2.480 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)on1 ZINC000028575875 541498987 /nfs/dbraw/zinc/49/89/87/541498987.db2.gz PCJZXKDHLBYRDP-IUCAKERBSA-N 0 0 222.288 2.101 50 0 BEAARN O=C(Nc1cccc(F)c1)[C@H](O)c1ccccc1 ZINC000032876666 541501796 /nfs/dbraw/zinc/50/17/96/541501796.db2.gz RQIUXRAXTOAUOG-CYBMUJFWSA-N 0 0 245.253 2.498 50 0 BEAARN Cc1cc(C)n(CCC(=O)N2CCC[C@H](C)C2)n1 ZINC000032873662 541502004 /nfs/dbraw/zinc/50/20/04/541502004.db2.gz ZZUVVNXERJKIFV-NSHDSACASA-N 0 0 249.358 2.149 50 0 BEAARN O=C1C[C@@H](c2c[nH]cn2)C2(CCCCC2)O1 ZINC000012284926 370839078 /nfs/dbraw/zinc/83/90/78/370839078.db2.gz ZJRSMBIWNOTRGY-VIFPVBQESA-N 0 0 220.272 2.143 50 0 BEAARN FC(F)(F)c1ccnc(OCC2CC2)n1 ZINC000565715671 325948007 /nfs/dbraw/zinc/94/80/07/325948007.db2.gz KNQJSADAZJFSKV-UHFFFAOYSA-N 0 0 218.178 2.284 50 0 BEAARN C[Si](C)(C)CCOC(=O)N1CCC(=O)CC1 ZINC000196936091 368397417 /nfs/dbraw/zinc/39/74/17/368397417.db2.gz UDLGQKCVOJGFGC-UHFFFAOYSA-N 0 0 243.379 2.126 50 0 BEAARN CC(C)(CO)[C@@H](O)c1ccccc1Cl ZINC000034077558 368374213 /nfs/dbraw/zinc/37/42/13/368374213.db2.gz QRVPERDYBIBNET-JTQLQIEISA-N 0 0 214.692 2.392 50 0 BEAARN Nc1n[nH]c2ccc(-c3ccccc3CO)cc12 ZINC000038213006 368376532 /nfs/dbraw/zinc/37/65/32/368376532.db2.gz SXQKGZOYSWWYJA-UHFFFAOYSA-N 0 0 239.278 2.304 50 0 BEAARN COC(=O)[C@]12C[C@@H]3c4ccccc4[C@H]1[C@@H]32 ZINC000045071456 368377419 /nfs/dbraw/zinc/37/74/19/368377419.db2.gz SRTJGPBDVOEMHP-LSCVPOLPSA-N 0 0 200.237 2.060 50 0 BEAARN Nc1c(-c2ccc(F)cc2)cncc1[N+](=O)[O-] ZINC000095629672 368382308 /nfs/dbraw/zinc/38/23/08/368382308.db2.gz BUOWMYWLKFWCAT-UHFFFAOYSA-N 0 0 233.202 2.378 50 0 BEAARN COc1cc([N+](=O)[O-])c(Cl)cc1F ZINC000167215616 368394903 /nfs/dbraw/zinc/39/49/03/368394903.db2.gz BLZDJFLDZSXELI-UHFFFAOYSA-N 0 0 205.572 2.396 50 0 BEAARN CCOC(=O)c1cncc(Br)c1C ZINC000219604256 368401461 /nfs/dbraw/zinc/40/14/61/368401461.db2.gz ZDHGUXIDDILAQX-UHFFFAOYSA-N 0 0 244.088 2.329 50 0 BEAARN CC(C)(C)CC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000096450827 166550341 /nfs/dbraw/zinc/55/03/41/166550341.db2.gz MNWSFYMSUJVIJD-RISCZKNCSA-N 0 0 241.375 2.480 50 0 BEAARN CCc1ccc([C@@H](C)C(=O)N(C)C)cc1 ZINC000068100595 368713525 /nfs/dbraw/zinc/71/35/25/368713525.db2.gz ZUFPCKDDAZZORP-SNVBAGLBSA-N 0 0 205.301 2.441 50 0 BEAARN OCCn1c2ccccc2nc1-c1ccncc1 ZINC000057850475 1172377392 /nfs/dbraw/zinc/37/73/92/1172377392.db2.gz POSQWGDSDCAVNH-UHFFFAOYSA-N 0 0 239.278 2.091 50 0 BEAARN Cc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)on1 ZINC000018068390 369402903 /nfs/dbraw/zinc/40/29/03/369402903.db2.gz WUGVUIJRGDHEEW-AOOOYVTPSA-N 0 0 222.288 2.386 50 0 BEAARN NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000035579562 181499807 /nfs/dbraw/zinc/49/98/07/181499807.db2.gz LTGZXHICGSIMHN-UHFFFAOYSA-N 0 0 243.188 2.214 50 0 BEAARN Cc1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000215258479 370364850 /nfs/dbraw/zinc/36/48/50/370364850.db2.gz JWWRUESWLPQMJA-UHFFFAOYSA-N 0 0 220.240 2.034 50 0 BEAARN CON(C)c1ncnc2c3ccccc3oc21 ZINC000009544846 370516029 /nfs/dbraw/zinc/51/60/29/370516029.db2.gz CXQFXQKLFZKQEY-UHFFFAOYSA-N 0 0 229.239 2.374 50 0 BEAARN COc1cc(-c2cc(C)ccc2C)nc(N)n1 ZINC000019770549 371187585 /nfs/dbraw/zinc/18/75/85/371187585.db2.gz WGZKDVZYKRAQGJ-UHFFFAOYSA-N 0 0 229.283 2.351 50 0 BEAARN NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000000446174 181530243 /nfs/dbraw/zinc/53/02/43/181530243.db2.gz BVXOWKKFUMLIDX-UHFFFAOYSA-N 0 0 239.340 2.382 50 0 BEAARN N[C@@H]1CCOc2c3ccccc3ccc2C1=O ZINC000062661248 181591265 /nfs/dbraw/zinc/59/12/65/181591265.db2.gz DZBMXCYJHYHCAR-GFCCVEGCSA-N 0 0 227.263 2.132 50 0 BEAARN Cn1cnc(-c2noc([C@H]3C[C@@H]4C=C[C@H]3C4)n2)c1 ZINC000020560674 371297103 /nfs/dbraw/zinc/29/71/03/371297103.db2.gz KDBMDXQORREMBZ-UTLUCORTSA-N 0 0 242.282 2.150 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000002575655 181610828 /nfs/dbraw/zinc/61/08/28/181610828.db2.gz RCVBUWYXFGWFHR-VIFPVBQESA-N 0 0 247.216 2.050 50 0 BEAARN [NH3+][C@H](CCCCC(=O)[O-])c1ccccc1 ZINC000001759502 181614759 /nfs/dbraw/zinc/61/47/59/181614759.db2.gz UINZQZCZNDPKGX-LLVKDONJSA-N 0 0 207.273 2.331 50 0 BEAARN CC(C)(O)c1cccc(C(F)(F)F)n1 ZINC000095836914 371354827 /nfs/dbraw/zinc/35/48/27/371354827.db2.gz APJOFHZRFJXSRS-UHFFFAOYSA-N 0 0 205.179 2.328 50 0 BEAARN Clc1cc(CN2CCOCC2)cc(Cl)n1 ZINC000095836941 371356307 /nfs/dbraw/zinc/35/63/07/371356307.db2.gz PZLJWQHRXONLCD-UHFFFAOYSA-N 0 0 247.125 2.221 50 0 BEAARN COC(=O)c1ccnc(N2CCCC[C@@H]2C)c1 ZINC000095947633 371358471 /nfs/dbraw/zinc/35/84/71/371358471.db2.gz FBZXMEWNGPEFKT-JTQLQIEISA-N 0 0 234.299 2.247 50 0 BEAARN Nc1cc(N)cc(C(=O)Nc2ccccc2)c1 ZINC000002765667 181687701 /nfs/dbraw/zinc/68/77/01/181687701.db2.gz FAZUJENRJHAFFC-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN Nc1ccc(-c2nc3cnccc3o2)cc1 ZINC000020158674 181696730 /nfs/dbraw/zinc/69/67/30/181696730.db2.gz XLCQTFFDEWTZDP-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN Nc1ccc(C(=O)c2ccc(F)cc2)cc1N ZINC000021299697 181703356 /nfs/dbraw/zinc/70/33/56/181703356.db2.gz KHMJNCNXARCUGR-UHFFFAOYSA-N 0 0 230.242 2.221 50 0 BEAARN Nc1ccccc1C(=O)Nc1ccccc1O ZINC000001510508 181752699 /nfs/dbraw/zinc/75/26/99/181752699.db2.gz MKMZTUZWAACTAF-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN Cc1sccc1CC(=O)N1CC(CF)C1 ZINC000335213948 371533041 /nfs/dbraw/zinc/53/30/41/371533041.db2.gz FXAFKSORQLIWLH-UHFFFAOYSA-N 0 0 227.304 2.027 50 0 BEAARN CCCC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000021793267 371495032 /nfs/dbraw/zinc/49/50/32/371495032.db2.gz BDGXHJLEGDJQRE-SNVBAGLBSA-N 0 0 246.310 2.408 50 0 BEAARN Cc1nn(Cc2ccccc2)cc1C=O ZINC000028628430 371624993 /nfs/dbraw/zinc/62/49/93/371624993.db2.gz NXRGCJKNIMOLTC-UHFFFAOYSA-N 0 0 200.241 2.052 50 0 BEAARN Cc1cc(C(=O)NC[C@@H]2CCCO2)sc1C ZINC000002731325 371643369 /nfs/dbraw/zinc/64/33/69/371643369.db2.gz DUTXUNRWJZUIDB-JTQLQIEISA-N 0 0 239.340 2.274 50 0 BEAARN O=C(NCc1csc(C2CCC2)n1)C1CC1 ZINC000227154200 371791533 /nfs/dbraw/zinc/79/15/33/371791533.db2.gz WGXQEGQWYUUADJ-UHFFFAOYSA-N 0 0 236.340 2.437 50 0 BEAARN Nc1nccc(-c2ccc(F)c(F)c2)n1 ZINC000052812001 181800373 /nfs/dbraw/zinc/80/03/73/181800373.db2.gz WBSIJTZQXOULKB-UHFFFAOYSA-N 0 0 207.183 2.004 50 0 BEAARN NN1C(=S)N=NC1c1cccc2ccccc21 ZINC000008732349 181821755 /nfs/dbraw/zinc/82/17/55/181821755.db2.gz PMNFDGDQSCVFRP-UHFFFAOYSA-N 0 0 242.307 2.101 50 0 BEAARN Cc1occc(=O)c1OCC(=O)c1ccccc1 ZINC000003128580 371881318 /nfs/dbraw/zinc/88/13/18/371881318.db2.gz FBZYNGAGCSLDGM-UHFFFAOYSA-N 0 0 244.246 2.210 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)n1cccn1 ZINC000004611874 181837342 /nfs/dbraw/zinc/83/73/42/181837342.db2.gz XBXRRGZHQYXUNS-QPJJXVBHSA-N 0 0 216.215 2.376 50 0 BEAARN O=C(/C=C/c1ccco1)Nc1nccs1 ZINC000012473560 181843591 /nfs/dbraw/zinc/84/35/91/181843591.db2.gz FGMQMVDUTJGNGD-ONEGZZNKSA-N 0 0 220.253 2.388 50 0 BEAARN O=C(/C=C/c1cccs1)OC[C@H]1CCCO1 ZINC000003411537 181845058 /nfs/dbraw/zinc/84/50/58/181845058.db2.gz LYXPODAIQMTOLT-BRAIEQGRSA-N 0 0 238.308 2.484 50 0 BEAARN O=C(/C=C/c1nccs1)NC1CCCC1 ZINC000040554582 181848019 /nfs/dbraw/zinc/84/80/19/181848019.db2.gz SMMUDVXCMPMBGS-AATRIKPKSA-N 0 0 222.313 2.215 50 0 BEAARN COc1ncccc1CNC(=O)c1ccsc1 ZINC000031320465 372047676 /nfs/dbraw/zinc/04/76/76/372047676.db2.gz IJXASYXNXQSTIA-UHFFFAOYSA-N 0 0 248.307 2.082 50 0 BEAARN O=C(/C=C\c1ccco1)O[C@H]1CCCCC1=O ZINC000096488103 181850255 /nfs/dbraw/zinc/85/02/55/181850255.db2.gz CQOVNZAPAGORCD-KRZKBDHCSA-N 0 0 234.251 2.348 50 0 BEAARN O=C(/C=C\c1ccco1)Nc1cccnc1 ZINC000033309462 181850493 /nfs/dbraw/zinc/85/04/93/181850493.db2.gz ZETGWKCJXLTOQB-WAYWQWQTSA-N 0 0 214.224 2.327 50 0 BEAARN Cc1csc(CNC(=O)NC2CCCC2)n1 ZINC000031029052 372006340 /nfs/dbraw/zinc/00/63/40/372006340.db2.gz NRFOUNRDIIRVFS-UHFFFAOYSA-N 0 0 239.344 2.193 50 0 BEAARN Cc1cc(CN(C)C(=O)NC2CCCC2)no1 ZINC000031054696 372008865 /nfs/dbraw/zinc/00/88/65/372008865.db2.gz ZBBRDCSISNQCCC-UHFFFAOYSA-N 0 0 237.303 2.067 50 0 BEAARN O=C(C1CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000041172157 181863684 /nfs/dbraw/zinc/86/36/84/181863684.db2.gz WLZRMOFYHOEQTP-CYBMUJFWSA-N 0 0 249.285 2.136 50 0 BEAARN CN(C)c1ncccc1C(=O)NC1CCCCC1 ZINC000031662936 372087839 /nfs/dbraw/zinc/08/78/39/372087839.db2.gz VUWGPYUVVCFNDA-UHFFFAOYSA-N 0 0 247.342 2.210 50 0 BEAARN Cn1ncc(C2CC2)c1/C=C\c1ccncn1 ZINC000606445194 372104606 /nfs/dbraw/zinc/10/46/06/372104606.db2.gz HTLRFTKESPYQEY-PLNGDYQASA-N 0 0 226.283 2.258 50 0 BEAARN CCCCN1c2ccccc2[C@@H](NC(C)=O)C1=O ZINC000100291693 168824765 /nfs/dbraw/zinc/82/47/65/168824765.db2.gz QFVSBYNVUSUVQY-CYBMUJFWSA-N 0 0 246.310 2.011 50 0 BEAARN O=C(CC1=CCCCC1)N1CCCCO1 ZINC000225499125 181883411 /nfs/dbraw/zinc/88/34/11/181883411.db2.gz SXKUXPYOFWUGQP-UHFFFAOYSA-N 0 0 209.289 2.431 50 0 BEAARN Cn1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000008095593 372330571 /nfs/dbraw/zinc/33/05/71/372330571.db2.gz JSBKKIAMBYPNQL-VXGBXAGGSA-N 0 0 247.342 2.072 50 0 BEAARN O=C(CC1CC1)N[C@H]1CCc2ccccc2OC1 ZINC000225758007 181892115 /nfs/dbraw/zinc/89/21/15/181892115.db2.gz FGCZEXMHGALZCK-ZDUSSCGKSA-N 0 0 245.322 2.297 50 0 BEAARN C/C=C/C=C/C(=O)NCc1ccccc1OC ZINC000008115905 372368653 /nfs/dbraw/zinc/36/86/53/372368653.db2.gz AQZUILYXRKCLAP-COBAKMAKSA-N 0 0 231.295 2.444 50 0 BEAARN O=C(CCCc1ccccc1)Nc1ncccn1 ZINC000032581149 181914072 /nfs/dbraw/zinc/91/40/72/181914072.db2.gz FBHJQRLDKJOKBU-UHFFFAOYSA-N 0 0 241.294 2.438 50 0 BEAARN Cc1sc2ncnc(-n3ccnc3)c2c1C ZINC000008232529 372529865 /nfs/dbraw/zinc/52/98/65/372529865.db2.gz XJOPNGMSRFWWQO-UHFFFAOYSA-N 0 0 230.296 2.494 50 0 BEAARN O=C(CCc1ccccc1)N[C@H]1CCCC[C@@H]1O ZINC000052000846 181931015 /nfs/dbraw/zinc/93/10/15/181931015.db2.gz NTZKHITWYBDGJJ-KBPBESRZSA-N 0 0 247.338 2.039 50 0 BEAARN Cc1cc(C)cc(NS(=O)(=O)C2CC2)c1 ZINC000038678569 372739383 /nfs/dbraw/zinc/73/93/83/372739383.db2.gz XRXVVXMFFLMVQE-UHFFFAOYSA-N 0 0 225.313 2.208 50 0 BEAARN O=C(CN1CCc2ccccc21)NC1CCCC1 ZINC000012536750 181969092 /nfs/dbraw/zinc/96/90/92/181969092.db2.gz WVNGUEOBQLBVQG-UHFFFAOYSA-N 0 0 244.338 2.108 50 0 BEAARN CC(C)(C)c1cccc(Oc2nn[nH]n2)c1 ZINC000008577878 372771673 /nfs/dbraw/zinc/77/16/73/372771673.db2.gz YHTOHELNPXFSHO-UHFFFAOYSA-N 0 0 218.260 2.290 50 0 BEAARN O=C(CSC(F)(F)F)Nc1cccnc1 ZINC000041794946 182005701 /nfs/dbraw/zinc/00/57/01/182005701.db2.gz BQYSVQOLSYIGRL-UHFFFAOYSA-N 0 0 236.218 2.273 50 0 BEAARN O=C(COc1cccc(Cl)c1)N1CCCC1 ZINC000032942945 182001967 /nfs/dbraw/zinc/00/19/67/182001967.db2.gz OHMISZROSJPRPS-UHFFFAOYSA-N 0 0 239.702 2.341 50 0 BEAARN O=C(COc1ccccc1)c1ccc(O)cc1O ZINC000000041293 182002448 /nfs/dbraw/zinc/00/24/48/182002448.db2.gz TZMXCFNRWDJQJM-UHFFFAOYSA-N 0 0 244.246 2.360 50 0 BEAARN O=C(CSCc1ccccc1)NCC1CC1 ZINC000043805088 182009900 /nfs/dbraw/zinc/00/99/00/182009900.db2.gz XNTIZVYDEBADCE-UHFFFAOYSA-N 0 0 235.352 2.446 50 0 BEAARN O=C(CSc1ccccn1)N1CCCCC1 ZINC000013285102 182010595 /nfs/dbraw/zinc/01/05/95/182010595.db2.gz UBKQMMLMJWLGIC-UHFFFAOYSA-N 0 0 236.340 2.186 50 0 BEAARN O=C(C[C@@H](O)c1ccccn1)c1ccccc1 ZINC000036421200 182012161 /nfs/dbraw/zinc/01/21/61/182012161.db2.gz YUFVKVICSXQVSE-CQSZACIVSA-N 0 0 227.263 2.388 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCC1(CO)CCCC1 ZINC000067909873 182014246 /nfs/dbraw/zinc/01/42/46/182014246.db2.gz HFJDLQFURFFQNB-GFCCVEGCSA-N 0 0 237.343 2.012 50 0 BEAARN O=C(C[C@@H]1C=CCC1)Nc1nnc(C2CCC2)[nH]1 ZINC000097376633 182014717 /nfs/dbraw/zinc/01/47/17/182014717.db2.gz KUTCZUFNEXPHKK-SECBINFHSA-N 0 0 246.314 2.367 50 0 BEAARN O=C(C[C@@H]1C=CCC1)Nc1cccnc1 ZINC000024332679 182015142 /nfs/dbraw/zinc/01/51/42/182015142.db2.gz UHLYJDKZGDKANU-SNVBAGLBSA-N 0 0 202.257 2.376 50 0 BEAARN CC(C)SN1C(=O)c2ccccc2C1=O ZINC000039281070 372930310 /nfs/dbraw/zinc/93/03/10/372930310.db2.gz TVHMHADGGSKDRC-UHFFFAOYSA-N 0 0 221.281 2.339 50 0 BEAARN O=C(C[C@H]1C=CCC1)Nc1nnc2ccccn21 ZINC000030712417 182025634 /nfs/dbraw/zinc/02/56/34/182025634.db2.gz LBGULGGVOZKMHB-JTQLQIEISA-N 0 0 242.282 2.024 50 0 BEAARN O=C(Cc1cccc(F)c1)NCC(F)(F)F ZINC000042236912 182040727 /nfs/dbraw/zinc/04/07/27/182040727.db2.gz HEOJXOWHIJTNLW-UHFFFAOYSA-N 0 0 235.180 2.047 50 0 BEAARN O=C(Cc1cccc(F)c1)Nc1ncccc1O ZINC000022261990 182042130 /nfs/dbraw/zinc/04/21/30/182042130.db2.gz YQHUUXBAKJKZDI-UHFFFAOYSA-N 0 0 246.241 2.108 50 0 BEAARN O=C(Cc1ccccc1F)NCc1ccco1 ZINC000001054498 182045009 /nfs/dbraw/zinc/04/50/09/182045009.db2.gz LVWFCCLWMOYFFY-UHFFFAOYSA-N 0 0 233.242 2.278 50 0 BEAARN O=C(Cc1ccccc1F)Nc1ncccc1O ZINC000012539726 182045504 /nfs/dbraw/zinc/04/55/04/182045504.db2.gz QIFHLLVMYQOEHO-UHFFFAOYSA-N 0 0 246.241 2.108 50 0 BEAARN O=C(Cc1noc2ccccc21)NC1CCCC1 ZINC000008076384 182061621 /nfs/dbraw/zinc/06/16/21/182061621.db2.gz CJTSXVMAOHEPSQ-UHFFFAOYSA-N 0 0 244.294 2.429 50 0 BEAARN Cc1nn(C)c(C)c1/C=C\C(=O)N[C@H](C)C(C)C ZINC000069180299 373116343 /nfs/dbraw/zinc/11/63/43/373116343.db2.gz BTDPXYAAJABFCB-GQYWMQPJSA-N 0 0 249.358 2.211 50 0 BEAARN C[C@@H](NS(C)(=O)=O)c1ccc(Cl)s1 ZINC000039971766 373076190 /nfs/dbraw/zinc/07/61/90/373076190.db2.gz OAGPVEHSINSXOA-RXMQYKEDSA-N 0 0 239.749 2.012 50 0 BEAARN CC(=O)Nc1cccc(C(=O)NC2CCCC2)c1 ZINC000008938980 373107808 /nfs/dbraw/zinc/10/78/08/373107808.db2.gz BJQKZKROLSGQQR-UHFFFAOYSA-N 0 0 246.310 2.317 50 0 BEAARN O=C(Cn1cccn1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032903897 182068638 /nfs/dbraw/zinc/06/86/38/182068638.db2.gz CUXQUDCXAPCFDD-OLZOCXBDSA-N 0 0 247.342 2.064 50 0 BEAARN O=C(Cn1cccn1)Nc1ccccc1Cl ZINC000012908236 182069626 /nfs/dbraw/zinc/06/96/26/182069626.db2.gz KICNHNTWRDABLU-UHFFFAOYSA-N 0 0 235.674 2.175 50 0 BEAARN CC(=O)Cc1ccc(O)c(Br)c1 ZINC000002529238 205457655 /nfs/dbraw/zinc/45/76/55/205457655.db2.gz BGMOZOKYYWZPRF-UHFFFAOYSA-N 0 0 229.073 2.286 50 0 BEAARN O=C(NC1CC(F)(F)C1)[C@@H]1CC=CCC1 ZINC000277020093 182093067 /nfs/dbraw/zinc/09/30/67/182093067.db2.gz MUSOAXNBKVFSCP-MRVPVSSYSA-N 0 0 215.243 2.257 50 0 BEAARN O=C(NC1CC1)C1(c2cccc(F)c2)CC1 ZINC000064554906 182094246 /nfs/dbraw/zinc/09/42/46/182094246.db2.gz NJQPGEOOCUWOSO-UHFFFAOYSA-N 0 0 219.259 2.136 50 0 BEAARN O=C(NC12CC3CC(CC(C3)C1)C2)n1ccnc1 ZINC000006565914 182091629 /nfs/dbraw/zinc/09/16/29/182091629.db2.gz BJKAOVOIBFRJAO-UHFFFAOYSA-N 0 0 245.326 2.410 50 0 BEAARN COC(=O)c1occc1CN1CCC(C)CC1 ZINC000040475802 373294371 /nfs/dbraw/zinc/29/43/71/373294371.db2.gz DKPSBTXBVVESSA-UHFFFAOYSA-N 0 0 237.299 2.298 50 0 BEAARN O=C(NC1CC1)c1nnsc1-c1ccccc1 ZINC000072239968 182101780 /nfs/dbraw/zinc/10/17/80/182101780.db2.gz SRKLVQCTBVBGRZ-UHFFFAOYSA-N 0 0 245.307 2.097 50 0 BEAARN O=C(NC1CC1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000071856579 182095975 /nfs/dbraw/zinc/09/59/75/182095975.db2.gz CUVOERRRCCLLFP-LLVKDONJSA-N 0 0 248.301 2.487 50 0 BEAARN CC(C)c1noc(CN2CCC[C@@H](C)C2)n1 ZINC000040489558 373315557 /nfs/dbraw/zinc/31/55/57/373315557.db2.gz YNLSRZIZWBKTCB-SNVBAGLBSA-N 0 0 223.320 2.425 50 0 BEAARN O=C(NC1CC1)c1c[nH]c2ccccc12 ZINC000035134641 182098424 /nfs/dbraw/zinc/09/84/24/182098424.db2.gz LYYBCDONUONFEF-UHFFFAOYSA-N 0 0 200.241 2.060 50 0 BEAARN O=C(NC1CCCC1)c1[nH]nc2ccccc21 ZINC000005827766 182111144 /nfs/dbraw/zinc/11/11/44/182111144.db2.gz FNZMVFKUZBGPEN-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN O=C(NC1CCCC1)c1c[nH]c2ncccc12 ZINC000097938479 182109771 /nfs/dbraw/zinc/10/97/71/182109771.db2.gz JNLDPTNRWSHNTA-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN O=C(NC1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000007951284 182110169 /nfs/dbraw/zinc/11/01/69/182110169.db2.gz BGLOKDVMPXRUDB-CYBMUJFWSA-N 0 0 231.295 2.049 50 0 BEAARN CC(C)[C@H](C)NC(=O)CC[C@@H]1CCCO1 ZINC000040506173 373370574 /nfs/dbraw/zinc/37/05/74/373370574.db2.gz ACKJFZLEIUITEQ-QWRGUYRKSA-N 0 0 213.321 2.106 50 0 BEAARN C[C@H](CO)NC(=O)Nc1cccc2c1CCCC2 ZINC000040526148 373454454 /nfs/dbraw/zinc/45/44/54/373454454.db2.gz NLGKKKJEQDPJSY-SNVBAGLBSA-N 0 0 248.326 2.068 50 0 BEAARN O=C(NCC(F)(F)F)c1ccccc1F ZINC000037485835 182124228 /nfs/dbraw/zinc/12/42/28/182124228.db2.gz VMJAZQDJFQYYBT-UHFFFAOYSA-N 0 0 221.153 2.118 50 0 BEAARN O=C(NCC1=CCCCC1)c1n[nH]c2c1CCC2 ZINC000295822810 182134271 /nfs/dbraw/zinc/13/42/71/182134271.db2.gz POQCRLWWMQBHJJ-UHFFFAOYSA-N 0 0 245.326 2.129 50 0 BEAARN CCCCNC(=O)Cc1ccc(F)cc1 ZINC000001553646 168847395 /nfs/dbraw/zinc/84/73/95/168847395.db2.gz WQJYAZPLSQHUSF-UHFFFAOYSA-N 0 0 209.264 2.285 50 0 BEAARN O=C(NCC1CCOCC1)NC1CCCCC1 ZINC000074904833 182148088 /nfs/dbraw/zinc/14/80/88/182148088.db2.gz FJHOZQIIDLKSQD-UHFFFAOYSA-N 0 0 240.347 2.045 50 0 BEAARN O=C(NCCCc1ccccc1)c1cccnc1 ZINC000002736778 182176125 /nfs/dbraw/zinc/17/61/25/182176125.db2.gz DGVNUZBITSWBPL-UHFFFAOYSA-N 0 0 240.306 2.444 50 0 in-vivo BEAARN CCCCNC(=O)N1CCC[C@]1(C)CCCO ZINC000095942754 168850288 /nfs/dbraw/zinc/85/02/88/168850288.db2.gz QGFDLHWIEIPHCI-CYBMUJFWSA-N 0 0 242.363 2.123 50 0 BEAARN O=C(NCCOc1ccccc1)C1CCCC1 ZINC000022479821 182197945 /nfs/dbraw/zinc/19/79/45/182197945.db2.gz UGGMETLMYYMXAE-UHFFFAOYSA-N 0 0 233.311 2.372 50 0 BEAARN O=C(NCC[C@@H](O)c1ccoc1)[C@@H]1CC=CCC1 ZINC000090613062 182198943 /nfs/dbraw/zinc/19/89/43/182198943.db2.gz ZAQSDYXSFSRWBD-DGCLKSJQSA-N 0 0 249.310 2.176 50 0 BEAARN O=C(NCC[C@@H](O)c1ccccc1)C1CCC1 ZINC000085436417 182199506 /nfs/dbraw/zinc/19/95/06/182199506.db2.gz IEHNHROWKAKSTR-CYBMUJFWSA-N 0 0 233.311 2.026 50 0 BEAARN O=C(NCC[C@H](O)c1ccsc1)C1CCC1 ZINC000217524124 182200492 /nfs/dbraw/zinc/20/04/92/182200492.db2.gz REEQHXDVPBHZIN-NSHDSACASA-N 0 0 239.340 2.088 50 0 BEAARN O=C(NCC[C@H](O)c1ccccc1)c1ccco1 ZINC000072242664 182200565 /nfs/dbraw/zinc/20/05/65/182200565.db2.gz LHNWQIHHWYFMRC-LBPRGKRZSA-N 0 0 245.278 2.133 50 0 BEAARN O=C(NCCc1ccccc1)c1ccco1 ZINC000000185442 182204194 /nfs/dbraw/zinc/20/41/94/182204194.db2.gz JXBQSQNRBAFMRW-UHFFFAOYSA-N 0 0 215.252 2.252 50 0 BEAARN O=C(NCCc1ccccc1)c1ccc(O)cc1 ZINC000000131979 182205030 /nfs/dbraw/zinc/20/50/30/182205030.db2.gz YLAMRBOZGBYUQG-UHFFFAOYSA-N 0 0 241.290 2.365 50 0 BEAARN O=C(NCCc1ccco1)NC1CCCCC1 ZINC000023584802 182208078 /nfs/dbraw/zinc/20/80/78/182208078.db2.gz SWZJJTJOIRBVTJ-UHFFFAOYSA-N 0 0 236.315 2.454 50 0 BEAARN O=C(NC[C@@H]1CCCC1(F)F)c1ccco1 ZINC000334618950 182223380 /nfs/dbraw/zinc/22/33/80/182223380.db2.gz ITDOWXOAQZNCND-QMMMGPOBSA-N 0 0 229.226 2.445 50 0 BEAARN Nc1cc(N)[nH+]c(SC2CCCCC2)n1 ZINC000041023802 374043779 /nfs/dbraw/zinc/04/37/79/374043779.db2.gz CSCJRGMABADGJR-UHFFFAOYSA-N 0 0 224.333 2.066 50 0 BEAARN O=C(NC[C@@H]1C[C@]12CCc1ccccc12)C1CC1 ZINC000087410951 182230226 /nfs/dbraw/zinc/23/02/26/182230226.db2.gz DOGOLEPVQLOIPQ-XJKSGUPXSA-N 0 0 241.334 2.417 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1cc2ccccc2[nH]1 ZINC000000383143 182239778 /nfs/dbraw/zinc/23/97/78/182239778.db2.gz AAHJATVXPWOZCP-LLVKDONJSA-N 0 0 244.294 2.077 50 0 BEAARN O=C(NC[C@H]1CCCC1(F)F)c1ccco1 ZINC000334618945 182234797 /nfs/dbraw/zinc/23/47/97/182234797.db2.gz ITDOWXOAQZNCND-MRVPVSSYSA-N 0 0 229.226 2.445 50 0 BEAARN CC(C)CNC(=O)c1ccc2nc(N)sc2c1 ZINC000041629935 374168074 /nfs/dbraw/zinc/16/80/74/374168074.db2.gz DDQHODWOSIUWAY-UHFFFAOYSA-N 0 0 249.339 2.264 50 0 BEAARN O=C(NCc1cccc(O)c1)N1CCCCCC1 ZINC000057185347 182254407 /nfs/dbraw/zinc/25/44/07/182254407.db2.gz XTUCVYVSTHOILH-UHFFFAOYSA-N 0 0 248.326 2.478 50 0 BEAARN O=C(NC[C@H]1C[C@]12CCc1ccccc12)C1CC1 ZINC000087410947 182247529 /nfs/dbraw/zinc/24/75/29/182247529.db2.gz DOGOLEPVQLOIPQ-CZUORRHYSA-N 0 0 241.334 2.417 50 0 BEAARN CCCC(=O)Nc1nc(C(C)=O)cs1 ZINC000041907135 374216589 /nfs/dbraw/zinc/21/65/89/374216589.db2.gz LGVHAQHHFUTYLK-UHFFFAOYSA-N 0 0 212.274 2.084 50 0 BEAARN O=C(NCc1ccccc1)[C@H](O)c1ccccc1 ZINC000000209602 182255175 /nfs/dbraw/zinc/25/51/75/182255175.db2.gz PBBKIPKCSOHKOQ-CQSZACIVSA-N 0 0 241.290 2.036 50 0 BEAARN O=C(NCc1cc(F)cc(F)c1)c1ccoc1 ZINC000032809386 182248631 /nfs/dbraw/zinc/24/86/31/182248631.db2.gz ABURBZGJNRJVFW-UHFFFAOYSA-N 0 0 237.205 2.488 50 0 BEAARN O=C(NCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000000209604 182255427 /nfs/dbraw/zinc/25/54/27/182255427.db2.gz PBBKIPKCSOHKOQ-AWEZNQCLSA-N 0 0 241.290 2.036 50 0 BEAARN O=C(NCc1cccs1)NC1CCCC1 ZINC000012847229 182263098 /nfs/dbraw/zinc/26/30/98/182263098.db2.gz ZMTCIGPBNIYFKH-UHFFFAOYSA-N 0 0 224.329 2.490 50 0 BEAARN O=C(NCc1ccncc1)[C@@H]1CC=CCC1 ZINC000032998112 182265264 /nfs/dbraw/zinc/26/52/64/182265264.db2.gz FQWXACGOQBEYKS-GFCCVEGCSA-N 0 0 216.284 2.054 50 0 BEAARN O=C(NCc1cccs1)[C@H]1CC1(F)F ZINC000336232567 182264806 /nfs/dbraw/zinc/26/48/06/182264806.db2.gz QWXNVXVAGDHVGT-SSDOTTSWSA-N 0 0 217.240 2.020 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)NCc1cccs1 ZINC000042381538 374268287 /nfs/dbraw/zinc/26/82/87/374268287.db2.gz CFSJFJNTJBQYFE-JTQLQIEISA-N 0 0 241.356 2.425 50 0 BEAARN O=C(NCc1ccccc1)c1cc(O)ccc1F ZINC000261493664 182257216 /nfs/dbraw/zinc/25/72/16/182257216.db2.gz GRZMGTDCXPJHLF-UHFFFAOYSA-N 0 0 245.253 2.461 50 0 BEAARN C[C@H](O)CNc1ncnc2c3ccccc3oc21 ZINC000010021233 374270529 /nfs/dbraw/zinc/27/05/29/374270529.db2.gz JURQUWNGFMYGIO-QMMMGPOBSA-N 0 0 243.266 2.169 50 0 BEAARN O=C(NCc1ccncc1)c1ccccc1F ZINC000000258966 182265105 /nfs/dbraw/zinc/26/51/05/182265105.db2.gz GGFNWWUCRYYMAQ-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN CC1=CC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C1 ZINC000071589617 374278308 /nfs/dbraw/zinc/27/83/08/374278308.db2.gz JVYLKGNSXGAZLD-NEPJUHHUSA-N 0 0 230.311 2.443 50 0 BEAARN O=C(NCc1ccncc1)c1c(F)cccc1F ZINC000001052335 182265185 /nfs/dbraw/zinc/26/51/85/182265185.db2.gz LSSDFIMRCUQWRJ-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1cccnc1)NC1CCCCC1 ZINC000000395328 182259651 /nfs/dbraw/zinc/25/96/51/182259651.db2.gz XXSTXXTVGPRZSU-UHFFFAOYSA-N 0 0 233.315 2.214 50 0 BEAARN O=C(NCc1cccnc1)c1cc(F)ccc1F ZINC000016661364 182260529 /nfs/dbraw/zinc/26/05/29/182260529.db2.gz GPKRUELTTWFWHP-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN OCCCCn1c(=S)[nH]nc1-c1ccccc1 ZINC000010312533 374289300 /nfs/dbraw/zinc/28/93/00/374289300.db2.gz CTEQVZVHHMLZKR-UHFFFAOYSA-N 0 0 249.339 2.380 50 0 BEAARN CCCCNC(=O)[C@H]1COc2ccccc2C1 ZINC000021094605 168859702 /nfs/dbraw/zinc/85/97/02/168859702.db2.gz HWRVXYBAIOCYON-GFCCVEGCSA-N 0 0 233.311 2.154 50 0 BEAARN c1csc(N2CCN(c3ccccc3)CC2)n1 ZINC000071711468 374284307 /nfs/dbraw/zinc/28/43/07/374284307.db2.gz NEGAYWKZBRZERZ-UHFFFAOYSA-N 0 0 245.351 2.470 50 0 BEAARN O=C(NCc1n[nH]c2ccccc12)c1ccoc1 ZINC000064542822 182272692 /nfs/dbraw/zinc/27/26/92/182272692.db2.gz UUNHHACZYWFCMJ-UHFFFAOYSA-N 0 0 241.250 2.086 50 0 BEAARN NC(=O)c1cc(-c2cncc(N)c2)ccc1Cl ZINC000426419683 206046946 /nfs/dbraw/zinc/04/69/46/206046946.db2.gz FNQDNDOOGZCEMB-UHFFFAOYSA-N 0 0 247.685 2.083 50 0 BEAARN CCCCNC(=O)c1ccc(NC(C)=O)cc1 ZINC000003309994 168862042 /nfs/dbraw/zinc/86/20/42/168862042.db2.gz DNVFOBRRLYURPJ-UHFFFAOYSA-N 0 0 234.299 2.175 50 0 BEAARN O=C(N[C@H](c1nccs1)C1CC1)C1CC1 ZINC000089885309 182325086 /nfs/dbraw/zinc/32/50/86/182325086.db2.gz WLBNXNZNZXQZRC-VIFPVBQESA-N 0 0 222.313 2.120 50 0 BEAARN O=C(N[C@H]1CCc2ccccc21)c1cccnc1 ZINC000013011508 182341528 /nfs/dbraw/zinc/34/15/28/182341528.db2.gz MNVFJLYUZJMWCD-AWEZNQCLSA-N 0 0 238.290 2.499 50 0 BEAARN O=C(Nc1cc[nH]n1)[C@@H]1Cc2ccccc2S1 ZINC000048798805 182351174 /nfs/dbraw/zinc/35/11/74/182351174.db2.gz SLTJJKCRAUKSHP-JTQLQIEISA-N 0 0 245.307 2.065 50 0 BEAARN O=C(Nc1ccc(F)cc1)[C@@H](O)c1ccccc1 ZINC000032876662 182355090 /nfs/dbraw/zinc/35/50/90/182355090.db2.gz XWIRNNJTIJTHBA-ZDUSSCGKSA-N 0 0 245.253 2.498 50 0 BEAARN O=C(Nc1ccc(F)cc1F)NC1CC1 ZINC000006742556 182356175 /nfs/dbraw/zinc/35/61/75/182356175.db2.gz IKTMEPFKBDNTHD-UHFFFAOYSA-N 0 0 212.199 2.249 50 0 BEAARN O=C(Nc1ccc2[nH]cnc2c1)c1ccncc1 ZINC000040285044 182367510 /nfs/dbraw/zinc/36/75/10/182367510.db2.gz VUAGSICAFQELPR-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ccc2c(c1)CCO2)c1cccnc1 ZINC000031343408 182363599 /nfs/dbraw/zinc/36/35/99/182363599.db2.gz MHPJTDAGYGUAOB-UHFFFAOYSA-N 0 0 240.262 2.269 50 0 BEAARN O=C(Nc1ccc2c(c1)CCO2)c1ccoc1 ZINC000031344418 182364504 /nfs/dbraw/zinc/36/45/04/182364504.db2.gz ZNRMVFHPWRRNTF-UHFFFAOYSA-N 0 0 229.235 2.467 50 0 BEAARN O=C(Nc1ccc2c[nH]nc2c1)c1ccco1 ZINC000005323283 182365540 /nfs/dbraw/zinc/36/55/40/182365540.db2.gz NWIXSSJUFONRDP-UHFFFAOYSA-N 0 0 227.223 2.408 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)c1ccncc1 ZINC000000214231 182365785 /nfs/dbraw/zinc/36/57/85/182365785.db2.gz MEVFOXKUDRIVLT-UHFFFAOYSA-N 0 0 242.234 2.063 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)N1CCCC1 ZINC000006740990 182365815 /nfs/dbraw/zinc/36/58/15/182365815.db2.gz RQLIPOSZNGLUQJ-UHFFFAOYSA-N 0 0 234.255 2.043 50 0 BEAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000005756986 182367831 /nfs/dbraw/zinc/36/78/31/182367831.db2.gz WRBPJGGXEGKSGP-SNVBAGLBSA-N 0 0 225.675 2.458 50 0 BEAARN O=C(Nc1cccc2cnccc21)[C@@H]1CCCO1 ZINC000021217272 182374644 /nfs/dbraw/zinc/37/46/44/182374644.db2.gz IWAOLVPDTBIXAB-ZDUSSCGKSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1cccc2cnccc21)[C@H]1CCCO1 ZINC000021217274 182374738 /nfs/dbraw/zinc/37/47/38/182374738.db2.gz IWAOLVPDTBIXAB-CYBMUJFWSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1ccccc1Cl)c1cnccn1 ZINC000000311387 182378965 /nfs/dbraw/zinc/37/89/65/182378965.db2.gz HKSNYBQXNVMWIK-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccccc1)[C@@H](O)c1ccccc1 ZINC000000398037 182377240 /nfs/dbraw/zinc/37/72/40/182377240.db2.gz FJTANQWQWSXWTB-ZDUSSCGKSA-N 0 0 227.263 2.359 50 0 BEAARN O=C(Nc1ccccc1)c1ccc(Cl)nn1 ZINC000037485490 182378309 /nfs/dbraw/zinc/37/83/09/182378309.db2.gz UMHHKPUWXKBQBA-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cccc(F)c1)Nc1cnccn1 ZINC000013745191 182369879 /nfs/dbraw/zinc/36/98/79/182369879.db2.gz HKVGQXNULYMLRB-UHFFFAOYSA-N 0 0 232.218 2.260 50 0 BEAARN O=C(Nc1ccccc1)C1(O)CCCCC1 ZINC000004664694 182374021 /nfs/dbraw/zinc/37/40/21/182374021.db2.gz KDRGAOAXOPDKGN-UHFFFAOYSA-N 0 0 219.284 2.320 50 0 BEAARN O=C(Nc1ccccc1)C(=O)NC1CCCCC1 ZINC000002958926 182374314 /nfs/dbraw/zinc/37/43/14/182374314.db2.gz HXPFZEWELFHRDN-UHFFFAOYSA-N 0 0 246.310 2.074 50 0 BEAARN O=C(Nc1ccon1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000028226089 182389393 /nfs/dbraw/zinc/38/93/93/182389393.db2.gz OKPSZZHRDPVFOW-GHMZBOCLSA-N 0 0 228.251 2.417 50 0 BEAARN O=C(Nc1cnc2n1CCCC2)[C@@H]1CC12CCC2 ZINC000067741062 182391962 /nfs/dbraw/zinc/39/19/62/182391962.db2.gz DOCMBKRREOPCRR-JTQLQIEISA-N 0 0 245.326 2.348 50 0 BEAARN O=C(Nc1ccccn1)c1cc(Cl)ccn1 ZINC000012539464 182382757 /nfs/dbraw/zinc/38/27/57/182382757.db2.gz MQXDBONIVLMSLG-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cccnc1)N(CC(F)F)C1CC1 ZINC000078544702 182383151 /nfs/dbraw/zinc/38/31/51/182383151.db2.gz XUSXVZLXQFKUOP-UHFFFAOYSA-N 0 0 241.241 2.343 50 0 BEAARN O=C(Nc1cccnc1)c1cccc2c[nH]nc21 ZINC000037164376 182385452 /nfs/dbraw/zinc/38/54/52/182385452.db2.gz FJXZBVJJTXAPEC-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ccncc1F)[C@H]1CCCS1 ZINC000122967761 182387944 /nfs/dbraw/zinc/38/79/44/182387944.db2.gz QRCRYQYQLMPKSH-SECBINFHSA-N 0 0 226.276 2.055 50 0 BEAARN O=C(Nc1nc2c(s1)CCCC2)c1ccno1 ZINC000010253796 182398552 /nfs/dbraw/zinc/39/85/52/182398552.db2.gz BWOSKHMPVBZLHD-UHFFFAOYSA-N 0 0 249.295 2.262 50 0 BEAARN O=C(Nc1ncccc1F)C1CC=CC1 ZINC000097110800 182399124 /nfs/dbraw/zinc/39/91/24/182399124.db2.gz RXNSXCJKDHGVLX-UHFFFAOYSA-N 0 0 206.220 2.125 50 0 BEAARN O=C(Nc1ncc(Cl)cn1)c1cccs1 ZINC000001403893 182399730 /nfs/dbraw/zinc/39/97/30/182399730.db2.gz OLJTZQQXWZPBML-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=C(Nc1ncccc1O)C1CCCCC1 ZINC000009694427 182399961 /nfs/dbraw/zinc/39/99/61/182399961.db2.gz KNIRDGYAYWMDCQ-UHFFFAOYSA-N 0 0 220.272 2.306 50 0 BEAARN O=C(NC1N=NC(=S)S1)c1cccs1 ZINC000006438220 182404069 /nfs/dbraw/zinc/40/40/69/182404069.db2.gz PSIUJUHUCFDTNW-UHFFFAOYSA-N 0 0 243.338 2.141 50 0 BEAARN O=C(Nc1cnns1)c1cccc2cc[nH]c21 ZINC000127902252 182396007 /nfs/dbraw/zinc/39/60/07/182396007.db2.gz OAXCBYPPSQWJPS-UHFFFAOYSA-N 0 0 244.279 2.272 50 0 BEAARN CCOC(=O)CC(=O)CCC1CCCC1 ZINC000021985679 170193365 /nfs/dbraw/zinc/19/33/65/170193365.db2.gz OGMBQZYQQMUAHZ-UHFFFAOYSA-N 0 0 212.289 2.479 50 0 BEAARN O=C([O-])c1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000005896487 182566278 /nfs/dbraw/zinc/56/62/78/182566278.db2.gz RLINVKZPZFSCCE-UHFFFAOYSA-N 0 0 242.278 2.070 50 0 BEAARN O=C(OCCC[C@H]1CCCO1)c1cscn1 ZINC000097113174 182601684 /nfs/dbraw/zinc/60/16/84/182601684.db2.gz OPLLDFBKHYOVEQ-SECBINFHSA-N 0 0 241.312 2.259 50 0 BEAARN O=C([C@H]1C[C@@]1(F)c1ccccc1)N1CCC1 ZINC000336284947 182642558 /nfs/dbraw/zinc/64/25/58/182642558.db2.gz IKFIGNGXDAOQKO-DGCLKSJQSA-N 0 0 219.259 2.104 50 0 BEAARN O=C([C@H]1OCCc2ccccc21)N1CCCCC1 ZINC000016857418 182644245 /nfs/dbraw/zinc/64/42/45/182644245.db2.gz KQXOERSNNFSOLI-AWEZNQCLSA-N 0 0 245.322 2.313 50 0 BEAARN O=C(c1cc(C2CC2)on1)N1C[C@@H]2CCC[C@H]2C1 ZINC000089764798 182647728 /nfs/dbraw/zinc/64/77/28/182647728.db2.gz UOLJWEZUSWHMQY-QWRGUYRKSA-N 0 0 246.310 2.424 50 0 BEAARN O=C(c1cc(F)cc(Cl)c1)N1CCC1 ZINC000268360471 182650271 /nfs/dbraw/zinc/65/02/71/182650271.db2.gz TVNWRNUPKVZZFV-UHFFFAOYSA-N 0 0 213.639 2.325 50 0 BEAARN O=C1CCOc2c(Br)cccc21 ZINC000033359461 182744507 /nfs/dbraw/zinc/74/45/07/182744507.db2.gz RDFCRUZREBSOGO-UHFFFAOYSA-N 0 0 227.057 2.414 50 0 BEAARN O=C1CSc2cc(Br)ccc2N1 ZINC000000058208 182771667 /nfs/dbraw/zinc/77/16/67/182771667.db2.gz MDFPWMKBRDOSGB-UHFFFAOYSA-N 0 0 244.113 2.493 50 0 BEAARN O=C1C[C@@H](c2c(F)cccc2Cl)CN1 ZINC000057496926 182776802 /nfs/dbraw/zinc/77/68/02/182776802.db2.gz BEYHRDFBLQUXIG-ZCFIWIBFSA-N 0 0 213.639 2.083 50 0 BEAARN O=C1Nc2cccc(Br)c2C12CC2 ZINC000096028807 182823390 /nfs/dbraw/zinc/82/33/90/182823390.db2.gz PSJOQBQRAHOTPT-UHFFFAOYSA-N 0 0 238.084 2.433 50 0 BEAARN O=C1Nc2ccc(F)cc2C(=O)C1(Cl)Cl ZINC000000344010 182823761 /nfs/dbraw/zinc/82/37/61/182823761.db2.gz YJWFJDUBBUMZJK-UHFFFAOYSA-N 0 0 248.040 2.134 50 0 BEAARN O=C1Nc2cc(F)ccc2NC12CCC2 ZINC000088049880 182822762 /nfs/dbraw/zinc/82/27/62/182822762.db2.gz JWBGCBYGCYKGOJ-UHFFFAOYSA-N 0 0 206.220 2.112 50 0 BEAARN O=C1c2cccnc2C(=O)N1c1ccccc1F ZINC000000212403 182846583 /nfs/dbraw/zinc/84/65/83/182846583.db2.gz UKGMXXVEOFMBIA-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN O=C1Nc2ccccc2C1=CNc1cccnc1 ZINC000000200481 182824913 /nfs/dbraw/zinc/82/49/13/182824913.db2.gz QAFYLNNVLHSCIE-XFXZXTDPSA-N 0 0 237.262 2.487 50 0 BEAARN O=C1O[C@@H](C2CC2)c2cc3c(cc21)OCCO3 ZINC000020096388 182835060 /nfs/dbraw/zinc/83/50/60/182835060.db2.gz OJSBNDOPSHXWQM-LBPRGKRZSA-N 0 0 232.235 2.079 50 0 BEAARN O=C1OCc2c1cccc2Br ZINC000021994066 182835556 /nfs/dbraw/zinc/83/55/56/182835556.db2.gz MACJSJRQNWAGJM-UHFFFAOYSA-N 0 0 213.030 2.120 50 0 BEAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CCCCC1 ZINC000101380473 182841099 /nfs/dbraw/zinc/84/10/99/182841099.db2.gz RWVJMBBLEMRYQC-RYUDHWBXSA-N 0 0 233.311 2.270 50 0 BEAARN O=Cc1ccc(-c2ccc3c(c2)OCO3)nc1 ZINC000002527573 182865059 /nfs/dbraw/zinc/86/50/59/182865059.db2.gz QIECNUFNRIEWQL-UHFFFAOYSA-N 0 0 227.219 2.290 50 0 BEAARN O=S(=O)(NC1CCCCC1)C1CCCC1 ZINC000016137875 182895038 /nfs/dbraw/zinc/89/50/38/182895038.db2.gz JIGHIBPEGNRAIB-UHFFFAOYSA-N 0 0 231.361 2.181 50 0 BEAARN CCCC[C@@H](C)C(=O)N1CCOCC[C@H]1C ZINC000252498976 168936708 /nfs/dbraw/zinc/93/67/08/168936708.db2.gz RRZDFCGNBDERKA-VXGBXAGGSA-N 0 0 227.348 2.450 50 0 BEAARN O=c1cc(-c2ccccc2)n2ccsc2n1 ZINC000004543144 182991323 /nfs/dbraw/zinc/99/13/23/182991323.db2.gz LYXHCASEFWDPLG-UHFFFAOYSA-N 0 0 228.276 2.423 50 0 BEAARN O=c1[nH]cc(Br)cc1C(F)(F)F ZINC000034070468 182975302 /nfs/dbraw/zinc/97/53/02/182975302.db2.gz OPLCXLXORZDTMX-UHFFFAOYSA-N 0 0 241.994 2.156 50 0 BEAARN O=c1[nH]cccc1-c1nc(-c2cccs2)no1 ZINC000045894012 182976791 /nfs/dbraw/zinc/97/67/91/182976791.db2.gz WAQMIWVBDLGXQG-UHFFFAOYSA-N 0 0 245.263 2.153 50 0 BEAARN O=c1[nH]ccc2c(Br)cccc12 ZINC000026507157 182977395 /nfs/dbraw/zinc/97/73/95/182977395.db2.gz UKIWLFJYNMJPEG-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN O=c1c(F)cncn1CCC1=CCCCC1 ZINC000336256917 182984663 /nfs/dbraw/zinc/98/46/63/182984663.db2.gz QZUFJABYAJDJKC-UHFFFAOYSA-N 0 0 222.263 2.273 50 0 BEAARN OC1CN(c2nc3c(cccc3Cl)s2)C1 ZINC000085436303 183031109 /nfs/dbraw/zinc/03/11/09/183031109.db2.gz RFVPGYJQTFBYAJ-UHFFFAOYSA-N 0 0 240.715 2.131 50 0 BEAARN OC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000000183159 183028345 /nfs/dbraw/zinc/02/83/45/183028345.db2.gz MAJJGJJKEJIXNF-UHFFFAOYSA-N 0 0 243.709 2.436 50 0 BEAARN OC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000048368210 183029251 /nfs/dbraw/zinc/02/92/51/183029251.db2.gz KQUXBEQLKJQMTC-UHFFFAOYSA-N 0 0 231.748 2.358 50 0 BEAARN OCCCC(F)(F)C(F)(F)Br ZINC000002530669 183044433 /nfs/dbraw/zinc/04/44/33/183044433.db2.gz SFZAVKMARQFPHC-UHFFFAOYSA-N 0 0 239.006 2.382 50 0 BEAARN OCCCc1ccccc1Br ZINC000038974820 183064905 /nfs/dbraw/zinc/06/49/05/183064905.db2.gz VODAJGPTULSNSU-UHFFFAOYSA-N 0 0 215.090 2.374 50 0 BEAARN OCCOc1cc(Cl)cc(Cl)c1 ZINC000001668907 183087530 /nfs/dbraw/zinc/08/75/30/183087530.db2.gz PBISSGYFMDPIHE-UHFFFAOYSA-N 0 0 207.056 2.365 50 0 BEAARN OCCc1c[nH]c2ccc(Br)cc12 ZINC000003883640 183100075 /nfs/dbraw/zinc/10/00/75/183100075.db2.gz ZENXDUDCTZLSRP-UHFFFAOYSA-N 0 0 240.100 2.465 50 0 BEAARN CCCCc1ccc(-c2nc(N)n[nH]2)cc1 ZINC000006558567 169019787 /nfs/dbraw/zinc/01/97/87/169019787.db2.gz WHDMACDJFWZHIA-UHFFFAOYSA-N 0 0 216.288 2.397 50 0 BEAARN OC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006116733 183143923 /nfs/dbraw/zinc/14/39/23/183143923.db2.gz IMXUYOYYNZMNDM-AWEZNQCLSA-N 0 0 244.290 2.086 50 0 BEAARN OC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000001907571 183144561 /nfs/dbraw/zinc/14/45/61/183144561.db2.gz STXSVTXDTSELFT-LLVKDONJSA-N 0 0 241.290 2.148 50 0 BEAARN CCCCn1c2ccccc2nc1CO ZINC000002331234 169033636 /nfs/dbraw/zinc/03/36/36/169033636.db2.gz YKBVLHMDODYGIX-UHFFFAOYSA-N 0 0 204.273 2.329 50 0 BEAARN OC[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000011892866 183153102 /nfs/dbraw/zinc/15/31/02/183153102.db2.gz KVSFIGCLPJFPCQ-VIFPVBQESA-N 0 0 211.692 2.159 50 0 BEAARN CCCCn1ncc2ccccc2c1=O ZINC000012983286 169039040 /nfs/dbraw/zinc/03/90/40/169039040.db2.gz MTUKAPXTYKQEFS-UHFFFAOYSA-N 0 0 202.257 2.197 50 0 BEAARN CCCCn1nnc(NCc2ccc(F)cc2)n1 ZINC000032617084 169040461 /nfs/dbraw/zinc/04/04/61/169040461.db2.gz YTBYJDHEMQVMIY-UHFFFAOYSA-N 0 0 249.293 2.224 50 0 BEAARN OC[C@]1(F)CCCN(Cc2cccs2)C1 ZINC000287029078 183157890 /nfs/dbraw/zinc/15/78/90/183157890.db2.gz SFTHLLXMWAKYNH-NSHDSACASA-N 0 0 229.320 2.045 50 0 BEAARN CCCCn1nnnc1NCc1ccccc1 ZINC000002181856 169041349 /nfs/dbraw/zinc/04/13/49/169041349.db2.gz SXCUKNRQUSSANW-UHFFFAOYSA-N 0 0 231.303 2.085 50 0 BEAARN OCc1c[nH]c(=S)n1Cc1ccccc1 ZINC000000161848 183160620 /nfs/dbraw/zinc/16/06/20/183160620.db2.gz IIQWCVZBUKMFBS-UHFFFAOYSA-N 0 0 220.297 2.086 50 0 BEAARN OCc1ccc(Br)c(F)c1 ZINC000044608007 183162464 /nfs/dbraw/zinc/16/24/64/183162464.db2.gz VQDUFYPJCUBGQW-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN OCc1ccc2c(n1)CO[C@H](c1ccccc1)O2 ZINC000013199731 183167324 /nfs/dbraw/zinc/16/73/24/183167324.db2.gz IITZDXYDSIJEFR-AWEZNQCLSA-N 0 0 243.262 2.182 50 0 BEAARN OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000001387965 183169350 /nfs/dbraw/zinc/16/93/50/183169350.db2.gz DMIRTDWEKUNBDX-UHFFFAOYSA-N 0 0 244.081 2.066 50 0 BEAARN OCc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC000006447878 183170456 /nfs/dbraw/zinc/17/04/56/183170456.db2.gz JWBQHCHZXZHMPC-UHFFFAOYSA-N 0 0 217.055 2.362 50 0 BEAARN OCn1nc(-c2cccc(Cl)c2)oc1=S ZINC000004672660 183172020 /nfs/dbraw/zinc/17/20/20/183172020.db2.gz HNBKWRBEXIQDRF-UHFFFAOYSA-N 0 0 242.687 2.476 50 0 BEAARN O[C@H](Cc1ccccc1)[C@H](O)Cc1ccccc1 ZINC000000402006 183227734 /nfs/dbraw/zinc/22/77/34/183227734.db2.gz JCMRRROPOPSQLE-HZPDHXFCSA-N 0 0 242.318 2.194 50 0 BEAARN O[C@H](Cc1ccc(F)cc1)C(F)(F)F ZINC000061893941 183227812 /nfs/dbraw/zinc/22/78/12/183227812.db2.gz NNHSNLBBGIBVDH-MRVPVSSYSA-N 0 0 208.154 2.291 50 0 BEAARN O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000037464705 183229557 /nfs/dbraw/zinc/22/95/57/183229557.db2.gz SWWDFRDACYVBNF-GFCCVEGCSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@]1(C(F)F)CC(/C=C\c2cccs2)=NO1 ZINC000097426976 183250312 /nfs/dbraw/zinc/25/03/12/183250312.db2.gz RFYVQJGHGHWEEJ-UMBAGQNISA-N 0 0 245.250 2.491 50 0 BEAARN O[C@@](c1ncc[nH]1)(c1ccccc1)C1CC1 ZINC000328579496 183250380 /nfs/dbraw/zinc/25/03/80/183250380.db2.gz LMZJBIGOXCBDLK-ZDUSSCGKSA-N 0 0 214.268 2.056 50 0 BEAARN O[C@H]1CCCC[C@@H]1n1ccnc1-c1cccnc1 ZINC000067867025 183232169 /nfs/dbraw/zinc/23/21/69/183232169.db2.gz UYNWCLHQHVODTM-STQMWFEESA-N 0 0 243.310 2.421 50 0 BEAARN O[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000040460796 183236014 /nfs/dbraw/zinc/23/60/14/183236014.db2.gz UZLUUALBTKRABY-JTQLQIEISA-N 0 0 248.351 2.253 50 0 BEAARN Oc1ccc(-c2nnc(-c3cccnc3)[nH]2)cc1 ZINC000000505368 183264334 /nfs/dbraw/zinc/26/43/34/183264334.db2.gz NRSMRIGPWSTPTQ-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN Oc1ccc(-c2cnc3ccncc3n2)cc1 ZINC000000106824 183264898 /nfs/dbraw/zinc/26/48/98/183264898.db2.gz RFXDKGCZXURTFE-UHFFFAOYSA-N 0 0 223.235 2.397 50 0 BEAARN CCCN(CCC)C(=O)/C=C/c1cnn(C)c1 ZINC000058291310 169139483 /nfs/dbraw/zinc/13/94/83/169139483.db2.gz ZTFQPNCVPNPXHS-VOTSOKGWSA-N 0 0 235.331 2.082 50 0 BEAARN CCCN(CCC)C(=O)C1CCOCC1 ZINC000058312363 169140156 /nfs/dbraw/zinc/14/01/56/169140156.db2.gz PMDRYRUDICEANL-UHFFFAOYSA-N 0 0 213.321 2.062 50 0 BEAARN Oc1cc(Br)c(F)cc1F ZINC000033975480 183257506 /nfs/dbraw/zinc/25/75/06/183257506.db2.gz ZLUWZDGMZGVBGM-UHFFFAOYSA-N 0 0 208.989 2.433 50 0 BEAARN Oc1cccnc1OCc1ccccc1 ZINC000012359399 183305816 /nfs/dbraw/zinc/30/58/16/183305816.db2.gz BTQJWSSEBZRZKZ-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN Oc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 ZINC000034956240 183287976 /nfs/dbraw/zinc/28/79/76/183287976.db2.gz YMKQTBBXJASVGX-JTQLQIEISA-N 0 0 232.239 2.294 50 0 BEAARN Oc1cccc(-c2noc([C@H]3CCCO3)n2)c1 ZINC000034956241 183288343 /nfs/dbraw/zinc/28/83/43/183288343.db2.gz YMKQTBBXJASVGX-SNVBAGLBSA-N 0 0 232.239 2.294 50 0 BEAARN O=c1nc(-c2ccco2)cc(C(F)(F)F)[nH]1 ZINC000032919429 183307299 /nfs/dbraw/zinc/30/72/99/183307299.db2.gz YYVGPUGVMKOXOY-UHFFFAOYSA-N 0 0 230.145 2.461 50 0 BEAARN Oc1cccc2c1OC(F)(F)[C@H](F)O2 ZINC000040449685 183296720 /nfs/dbraw/zinc/29/67/20/183296720.db2.gz ZWAIYCWBNSAJLC-SSDOTTSWSA-N 0 0 206.119 2.052 50 0 BEAARN CCCN1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000101128258 169185321 /nfs/dbraw/zinc/18/53/21/169185321.db2.gz RBSLXVLDXKEYPI-PHIMTYICSA-N 0 0 221.300 2.128 50 0 BEAARN [O-][n+]1ccc2ccc(Br)cc2c1 ZINC000012359100 183318575 /nfs/dbraw/zinc/31/85/75/183318575.db2.gz QLRDQGRZLHHBPE-UHFFFAOYSA-N 0 0 224.057 2.236 50 0 BEAARN [O-][n+]1cc(Br)cc2ccccc21 ZINC000000332658 183318746 /nfs/dbraw/zinc/31/87/46/183318746.db2.gz LANTXZGXVINCPP-UHFFFAOYSA-N 0 0 224.057 2.236 50 0 BEAARN CCCN1CCC(=O)Nc2ccccc21 ZINC000000268922 169186435 /nfs/dbraw/zinc/18/64/35/169186435.db2.gz CUQSCNQXXQBYIW-UHFFFAOYSA-N 0 0 204.273 2.245 50 0 BEAARN c1cc(-c2nc(CN3CCCC3)no2)cs1 ZINC000084618545 183330370 /nfs/dbraw/zinc/33/03/70/183330370.db2.gz WEVMSTVIPILUDU-UHFFFAOYSA-N 0 0 235.312 2.394 50 0 BEAARN c1cc(-c2nnc3n2CCCCC3)ccn1 ZINC000000179377 183332217 /nfs/dbraw/zinc/33/22/17/183332217.db2.gz RZQQPARKDTYYBY-UHFFFAOYSA-N 0 0 214.272 2.067 50 0 BEAARN O=c1[nH]c(C(F)(F)F)nc2ccccc21 ZINC000018085406 183308329 /nfs/dbraw/zinc/30/83/29/183308329.db2.gz LOKVXDVFZJAQMR-UHFFFAOYSA-N 0 0 214.146 2.354 50 0 BEAARN S=C(NCc1ccco1)NCc1ccccc1 ZINC000000399685 183311180 /nfs/dbraw/zinc/31/11/80/183311180.db2.gz VFLJMXAJZZTHFU-UHFFFAOYSA-N 0 0 246.335 2.444 50 0 BEAARN S=C(NCc1ccco1)Nc1ccccn1 ZINC000000612626 183311230 /nfs/dbraw/zinc/31/12/30/183311230.db2.gz KEYHJXUZQYFDHO-UHFFFAOYSA-N 0 0 233.296 2.161 50 0 BEAARN S=C(NCc1ccco1)NCc1ccco1 ZINC000005843124 183311736 /nfs/dbraw/zinc/31/17/36/183311736.db2.gz UPLWHRBYCKGWOL-UHFFFAOYSA-N 0 0 236.296 2.037 50 0 BEAARN S=c1[nH]c2cc3c(cc2[nH]1)OCCCO3 ZINC000006505264 183313264 /nfs/dbraw/zinc/31/32/64/183313264.db2.gz OFJYDOHABMNROX-UHFFFAOYSA-N 0 0 222.269 2.387 50 0 BEAARN c1nnc(SCCc2ccncc2)s1 ZINC000058012725 183337674 /nfs/dbraw/zinc/33/76/74/183337674.db2.gz FTLINFUOTFQQSW-UHFFFAOYSA-N 0 0 223.326 2.268 50 0 BEAARN CCCNC(=O)COc1ccc(C)cc1C ZINC000002816158 169231147 /nfs/dbraw/zinc/23/11/47/169231147.db2.gz PHGQPCTVUTXPNQ-UHFFFAOYSA-N 0 0 221.300 2.208 50 0 BEAARN CCCNC(=O)COc1cccc(Cl)c1 ZINC000049535495 169231218 /nfs/dbraw/zinc/23/12/18/169231218.db2.gz MVBVIGRDESSGEF-UHFFFAOYSA-N 0 0 227.691 2.245 50 0 BEAARN CCCNC(=O)CSc1ccc(F)cc1 ZINC000058080383 169232889 /nfs/dbraw/zinc/23/28/89/169232889.db2.gz AKLUNMMNOFPWEG-UHFFFAOYSA-N 0 0 227.304 2.444 50 0 BEAARN CCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000003668355 169213045 /nfs/dbraw/zinc/21/30/45/169213045.db2.gz MBHORGYNWMFFJI-UHFFFAOYSA-N 0 0 248.326 2.275 50 0 BEAARN c1cn(-c2cccc(OC[C@H]3CCOC3)c2)cn1 ZINC000078990684 183358966 /nfs/dbraw/zinc/35/89/66/183358966.db2.gz VCNARCVJXBFPKL-LBPRGKRZSA-N 0 0 244.294 2.288 50 0 BEAARN CCCNC(=S)Nc1cc(C)ccc1O ZINC000016970823 169254138 /nfs/dbraw/zinc/25/41/38/169254138.db2.gz RVRVETMFUNXNAG-UHFFFAOYSA-N 0 0 224.329 2.397 50 0 BEAARN CCCNC(=S)Nc1cccc(OC)c1 ZINC000002905696 169254221 /nfs/dbraw/zinc/25/42/21/169254221.db2.gz NFDJSTJGDFSOTC-UHFFFAOYSA-N 0 0 224.329 2.392 50 0 BEAARN c1cn(-c2nc(-c3ccccc3)ns2)cn1 ZINC000097163527 183385458 /nfs/dbraw/zinc/38/54/58/183385458.db2.gz VQHUOCAOJBWDBK-UHFFFAOYSA-N 0 0 228.280 2.391 50 0 BEAARN CCCNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000048488884 169240100 /nfs/dbraw/zinc/24/01/00/169240100.db2.gz YQGJNYCSSVZUJN-UHFFFAOYSA-N 0 0 244.298 2.404 50 0 BEAARN c1ccc(-c2ccnc(N3CCCC3)n2)nc1 ZINC000067320839 183380778 /nfs/dbraw/zinc/38/07/78/183380778.db2.gz HPKLMESRGJDHRI-UHFFFAOYSA-N 0 0 226.283 2.139 50 0 BEAARN c1ccc(-c2nc3nnnn3c3ccccc32)cc1 ZINC000002707079 183383134 /nfs/dbraw/zinc/38/31/34/183383134.db2.gz HVKNPTXJEKQJND-UHFFFAOYSA-N 0 0 247.261 2.340 50 0 BEAARN c1ccc(-c2nc3c([nH]2)CCc2nonc2-3)cc1 ZINC000013125721 183383885 /nfs/dbraw/zinc/38/38/85/183383885.db2.gz BBXBIRVNMAFWMO-UHFFFAOYSA-N 0 0 238.250 2.225 50 0 BEAARN c1ccc(-c2noc(NC[C@@H]3CCCO3)n2)cc1 ZINC000035538059 183384243 /nfs/dbraw/zinc/38/42/43/183384243.db2.gz KQLUUAJTIZKLAB-NSHDSACASA-N 0 0 245.282 2.328 50 0 BEAARN CCCNC(=O)c1cc(-n2cccc2)ccn1 ZINC000085472826 169250079 /nfs/dbraw/zinc/25/00/79/169250079.db2.gz LRZFQXLCVVOWNG-UHFFFAOYSA-N 0 0 229.283 2.012 50 0 BEAARN CCCNC(=O)c1ccc(OCC)cc1 ZINC000002081161 169251371 /nfs/dbraw/zinc/25/13/71/169251371.db2.gz GSINPXZUBQBYFY-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN CCCNC(=O)c1cccnc1-c1cccnc1 ZINC000032581915 169252633 /nfs/dbraw/zinc/25/26/33/169252633.db2.gz PEPOJXITFHXAEP-UHFFFAOYSA-N 0 0 241.294 2.283 50 0 BEAARN c1ccc(-n2nnnc2NC2CCCCC2)cc1 ZINC000004516997 183387788 /nfs/dbraw/zinc/38/77/88/183387788.db2.gz FGGHQJHLQVTLIX-UHFFFAOYSA-N 0 0 243.314 2.407 50 0 BEAARN c1ccc(C2=NNC(=NC3CC3)SC2)cc1 ZINC000005156901 183389435 /nfs/dbraw/zinc/38/94/35/183389435.db2.gz TYKZJKITBFVWJU-UHFFFAOYSA-N 0 0 231.324 2.246 50 0 BEAARN c1ccc(CCc2nnc([C@H]3CCCO3)[nH]2)cc1 ZINC000065497676 183394615 /nfs/dbraw/zinc/39/46/15/183394615.db2.gz APHFYBLCDWDJSJ-GFCCVEGCSA-N 0 0 243.310 2.441 50 0 BEAARN c1nc(SCCc2ccccc2)n[nH]1 ZINC000009142794 183395388 /nfs/dbraw/zinc/39/53/88/183395388.db2.gz JQVFRKKJRZOYBT-UHFFFAOYSA-N 0 0 205.286 2.140 50 0 BEAARN c1ccc(CCSc2nnnn2C2CC2)cc1 ZINC000058360393 183395431 /nfs/dbraw/zinc/39/54/31/183395431.db2.gz HQLZSOJEKAPOSD-UHFFFAOYSA-N 0 0 246.339 2.343 50 0 BEAARN CCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000037064505 169272645 /nfs/dbraw/zinc/27/26/45/169272645.db2.gz NIBWMTXNEIKCOP-UHFFFAOYSA-N 0 0 247.747 2.337 50 0 BEAARN CCCNS(=O)(=O)c1ccc(CCC)cc1 ZINC000006699792 169272693 /nfs/dbraw/zinc/27/26/93/169272693.db2.gz FAAIGQYYAXPMLR-UHFFFAOYSA-N 0 0 241.356 2.327 50 0 BEAARN CCCOC(=O)c1ccc(NC(C)=O)cc1 ZINC000001807989 169301068 /nfs/dbraw/zinc/30/10/68/169301068.db2.gz TZBHZUCUDXQCSI-UHFFFAOYSA-N 0 0 221.256 2.212 50 0 BEAARN CCCOc1ccc(C(=O)OC)cc1OC ZINC000058046301 169317232 /nfs/dbraw/zinc/31/72/32/169317232.db2.gz VKSTWAUDYVQKPM-UHFFFAOYSA-N 0 0 224.256 2.271 50 0 BEAARN CCCOCCNc1cc(Cl)ncc1N ZINC000052537262 169309242 /nfs/dbraw/zinc/30/92/42/169309242.db2.gz IZYURYGLXWORMH-UHFFFAOYSA-N 0 0 229.711 2.156 50 0 BEAARN CCCONC(=O)Nc1ccccc1C ZINC000002699766 169311169 /nfs/dbraw/zinc/31/11/69/169311169.db2.gz SPROVRAJPAMAIF-UHFFFAOYSA-N 0 0 208.261 2.458 50 0 BEAARN CCCO[C@H](C)CN1C(=O)c2ccccc2C1=O ZINC000039404088 169312007 /nfs/dbraw/zinc/31/20/07/169312007.db2.gz PBSKZHCWZAKSQT-SNVBAGLBSA-N 0 0 247.294 2.098 50 0 BEAARN CCCNc1nc(N)c2ccccc2n1 ZINC000064553541 169296108 /nfs/dbraw/zinc/29/61/08/169296108.db2.gz RCPDYAGBGLXIFC-UHFFFAOYSA-N 0 0 202.261 2.034 50 0 BEAARN CCCNc1nnc(S[C@H]2CCOC2)s1 ZINC000170605558 169296820 /nfs/dbraw/zinc/29/68/20/169296820.db2.gz WFPKJYJKXRHAMO-ZETCQYMHSA-N 0 0 245.373 2.241 50 0 BEAARN c1cn(-c2ccc(NCc3cc[nH]n3)cc2)cn1 ZINC000089793154 183466389 /nfs/dbraw/zinc/46/63/89/183466389.db2.gz UCHFGZOUDUVFFU-UHFFFAOYSA-N 0 0 239.282 2.208 50 0 BEAARN CCC[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004613816 169351373 /nfs/dbraw/zinc/35/13/73/169351373.db2.gz XWXDOICPSDSPFB-SNVBAGLBSA-N 0 0 249.310 2.468 50 0 BEAARN CCC[C@@H](CCOC(C)=O)SC(C)=O ZINC000002389359 169382910 /nfs/dbraw/zinc/38/29/10/169382910.db2.gz GSJSVAFGVJLTNQ-JTQLQIEISA-N 0 0 218.318 2.388 50 0 endogenous,in-man BEAARN COc1ccc(Cl)c2ccc(N)nc12 ZINC000070060507 259596820 /nfs/dbraw/zinc/59/68/20/259596820.db2.gz LBZMYSHUZROWGP-UHFFFAOYSA-N 0 0 208.648 2.479 50 0 BEAARN c1nnc(SC[C@@H]2CCCCO2)n1C1CC1 ZINC000040485830 183552454 /nfs/dbraw/zinc/55/24/54/183552454.db2.gz OWJUPVGGZHFYGV-JTQLQIEISA-N 0 0 239.344 2.274 50 0 BEAARN CCC[C@H](C)NC(=O)c1c(C)onc1CC ZINC000013330511 169492841 /nfs/dbraw/zinc/49/28/41/169492841.db2.gz JOGCJKVCYIFTNZ-QMMMGPOBSA-N 0 0 224.304 2.464 50 0 BEAARN CCC[C@]1(C)NC(=O)c2ccccc2O1 ZINC000000050622 169556603 /nfs/dbraw/zinc/55/66/03/169556603.db2.gz WKIAUWGQCZGVMH-GFCCVEGCSA-N 0 0 205.257 2.325 50 0 BEAARN CCCc1nnc(NCc2cccnc2)o1 ZINC000097231392 169598221 /nfs/dbraw/zinc/59/82/21/169598221.db2.gz PPBKVAZEHGWAEQ-UHFFFAOYSA-N 0 0 218.260 2.029 50 0 BEAARN CNNC(=S)Nc1cccc(Cl)c1C ZINC000000098303 383827011 /nfs/dbraw/zinc/82/70/11/383827011.db2.gz ARZFNPCCIQKMBE-UHFFFAOYSA-N 0 0 229.736 2.069 50 0 BEAARN COC(=O)c1ccc2cc(C(=O)OC)ccc2c1 ZINC000000057153 383820926 /nfs/dbraw/zinc/82/09/26/383820926.db2.gz GYUVMLBYMPKZAZ-UHFFFAOYSA-N 0 0 244.246 2.413 50 0 BEAARN COC(=O)c1cc(OC)ccc1Br ZINC000000159322 383837048 /nfs/dbraw/zinc/83/70/48/383837048.db2.gz VRTQLDFCPNVQNT-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN FC(F)(F)c1cc(-c2ccncc2)n[nH]1 ZINC000000170981 383838828 /nfs/dbraw/zinc/83/88/28/383838828.db2.gz NBMPNCPZAYFDRU-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN Nc1ccnc2[nH]cc(C(F)(F)F)c21 ZINC000066055257 383844998 /nfs/dbraw/zinc/84/49/98/383844998.db2.gz QAOSKLQQKZHYHD-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 BEAARN O=S(=O)(Cc1ccccc1)Nc1cccnc1 ZINC000000255679 383847917 /nfs/dbraw/zinc/84/79/17/383847917.db2.gz GHGWCMHDQSCDJL-UHFFFAOYSA-N 0 0 248.307 2.024 50 0 BEAARN O=Cc1nc2ccc(Br)cc2o1 ZINC000035323054 383852952 /nfs/dbraw/zinc/85/29/52/383852952.db2.gz AYXWVVLNNYYVJO-UHFFFAOYSA-N 0 0 226.029 2.403 50 0 BEAARN Ic1cc2cccnc2[nH]1 ZINC000066354335 383860037 /nfs/dbraw/zinc/86/00/37/383860037.db2.gz MIVORZGIUCOUGC-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN O=C([C@H]1CC1(F)F)N1Cc2ccccc2C1 ZINC000294735158 383859827 /nfs/dbraw/zinc/85/98/27/383859827.db2.gz WBQXVRWPZLGMHZ-SNVBAGLBSA-N 0 0 223.222 2.184 50 0 BEAARN COC(=O)c1[nH]cc(-c2ccc(C)cc2)c1N ZINC000035462722 383859942 /nfs/dbraw/zinc/85/99/42/383859942.db2.gz MEBVPZNVDVGZCL-UHFFFAOYSA-N 0 0 230.267 2.359 50 0 BEAARN CCOC(=O)c1ccccc1NC(=O)C1CC1 ZINC000000376262 383860175 /nfs/dbraw/zinc/86/01/75/383860175.db2.gz LTLGKKYLPXGHIA-UHFFFAOYSA-N 0 0 233.267 2.212 50 0 BEAARN Clc1cnc2ncc(Br)n2c1 ZINC000066348973 383860479 /nfs/dbraw/zinc/86/04/79/383860479.db2.gz ZNNVAIVBZLXARY-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN O=C1Nc2ccccc2Nc2ncccc21 ZINC000000382835 383861917 /nfs/dbraw/zinc/86/19/17/383861917.db2.gz SFRAVXBSPHJEBZ-UHFFFAOYSA-N 0 0 211.224 2.391 50 0 BEAARN O=C1OCC2=C1CC(=O)c1ccccc1CC2 ZINC000000401365 383864600 /nfs/dbraw/zinc/86/46/00/383864600.db2.gz VLHQIBLNJCOEHD-UHFFFAOYSA-N 0 0 228.247 2.059 50 0 BEAARN CC[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1 ZINC000000406751 383866220 /nfs/dbraw/zinc/86/62/20/383866220.db2.gz WLAQZHZJODLWGO-VIFPVBQESA-N 0 0 242.706 2.232 50 0 BEAARN CCc1cc(=O)oc2cc(OC)ccc12 ZINC000000442973 383869063 /nfs/dbraw/zinc/86/90/63/383869063.db2.gz ILJGQAIFVFOHKZ-UHFFFAOYSA-N 0 0 204.225 2.364 50 0 biogenic BEAARN Nc1nnc(COc2ccccc2Cl)s1 ZINC000000509463 383871165 /nfs/dbraw/zinc/87/11/65/383871165.db2.gz NQLYOHVQLYTUDV-UHFFFAOYSA-N 0 0 241.703 2.353 50 0 BEAARN Cc1c(NC(=O)[C@@H]2CCOC2)cccc1N(C)C ZINC000095987038 383874743 /nfs/dbraw/zinc/87/47/43/383874743.db2.gz HOAVBSQEXFVBAU-LLVKDONJSA-N 0 0 248.326 2.036 50 0 BEAARN Cc1ccc(OC(=O)c2ccno2)cc1 ZINC000000122806 383830230 /nfs/dbraw/zinc/83/02/30/383830230.db2.gz KINXJCNCKOWFSU-UHFFFAOYSA-N 0 0 203.197 2.202 50 0 BEAARN Cn1nc2c(cccc2Br)c1C=O ZINC000067173960 383915131 /nfs/dbraw/zinc/91/51/31/383915131.db2.gz NSLRTSWDWSKOIE-UHFFFAOYSA-N 0 0 239.072 2.148 50 0 BEAARN Cc1ccc(C)n1[C@H](C)C(=O)N1CCCC1 ZINC000067284709 383917044 /nfs/dbraw/zinc/91/70/44/383917044.db2.gz ZXTCGRPSHNAVHX-GFCCVEGCSA-N 0 0 220.316 2.288 50 0 BEAARN Cc1ccc(C)n1[C@@H](C)C(=O)N1CCCC1 ZINC000067284705 383918121 /nfs/dbraw/zinc/91/81/21/383918121.db2.gz ZXTCGRPSHNAVHX-LBPRGKRZSA-N 0 0 220.316 2.288 50 0 BEAARN N#CNc1nccc(-c2ccc(F)cc2)n1 ZINC000067630544 383931881 /nfs/dbraw/zinc/93/18/81/383931881.db2.gz CXYWMNTULUDICR-UHFFFAOYSA-N 0 0 214.203 2.176 50 0 BEAARN Cc1nnc(NC(=O)c2sccc2C)s1 ZINC000023625571 383890216 /nfs/dbraw/zinc/89/02/16/383890216.db2.gz RRMIDRDFLQFGCT-UHFFFAOYSA-N 0 0 239.325 2.469 50 0 BEAARN Cc1ccc(C(=O)OC2COC2)cc1Cl ZINC000071883943 383894592 /nfs/dbraw/zinc/89/45/92/383894592.db2.gz KDAQYJLVJZJQCX-UHFFFAOYSA-N 0 0 226.659 2.204 50 0 BEAARN CC(=O)c1ccc(N2CC(C)(C)C2=O)cc1 ZINC000001398011 383896698 /nfs/dbraw/zinc/89/66/98/383896698.db2.gz AJNXSXRDNTYTEW-UHFFFAOYSA-N 0 0 217.268 2.262 50 0 BEAARN C[NH2+][C@@H]1c2c(ccc3ccccc32)OC[C@H]1CO ZINC000001387498 383897295 /nfs/dbraw/zinc/89/72/95/383897295.db2.gz AXSNSIOPEKUXAM-ABAIWWIYSA-N 0 0 243.306 2.101 50 0 BEAARN CC(=O)n1c2cnc(C)n2c2ccccc21 ZINC000001432776 383898517 /nfs/dbraw/zinc/89/85/17/383898517.db2.gz IFVHRXAIBFCKQX-UHFFFAOYSA-N 0 0 213.240 2.258 50 0 BEAARN FC(F)(F)c1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000001571539 383905344 /nfs/dbraw/zinc/90/53/44/383905344.db2.gz GXPYCYWPUGKQIJ-SNVBAGLBSA-N 0 0 231.217 2.366 50 0 in-man BEAARN Nn1c(-c2cccs2)nnc1-c1cccs1 ZINC000002576524 383978853 /nfs/dbraw/zinc/97/88/53/383978853.db2.gz QPJCHKDJMGRDEE-UHFFFAOYSA-N 0 0 248.336 2.449 50 0 BEAARN Nc1nn2cc(-c3ccccc3)nc2s1 ZINC000003285332 384002276 /nfs/dbraw/zinc/00/22/76/384002276.db2.gz URINLJMMDZLYSE-UHFFFAOYSA-N 0 0 216.269 2.040 50 0 BEAARN Cc1csc(N(C(=O)C2CC2)C2CC2)n1 ZINC000089705676 383987312 /nfs/dbraw/zinc/98/73/12/383987312.db2.gz HUKLAFDOQMWLFO-UHFFFAOYSA-N 0 0 222.313 2.357 50 0 BEAARN C[NH2+][C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000037658174 383991622 /nfs/dbraw/zinc/99/16/22/383991622.db2.gz OOFGEQUHLWRWCS-LBPRGKRZSA-N 0 0 233.702 2.439 50 0 BEAARN COC(=O)/C=C/c1cccc(/C=C/C(=O)OC)c1 ZINC000003137662 383999341 /nfs/dbraw/zinc/99/93/41/383999341.db2.gz OYTKVKMZSNSYBA-CDJQDVQCSA-N 0 0 246.262 2.059 50 0 BEAARN COC(=O)c1cccc2c(Cl)n[nH]c21 ZINC000089196121 383940467 /nfs/dbraw/zinc/94/04/67/383940467.db2.gz MZZPKAPXWPCBDF-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC(=O)Cc1ccccc1C(F)(F)F ZINC000067794631 383947372 /nfs/dbraw/zinc/94/73/72/383947372.db2.gz YWVRILIISWHRDP-UHFFFAOYSA-N 0 0 218.174 2.421 50 0 BEAARN O=C(c1cccc(Br)n1)C1CC1 ZINC000067802488 383950035 /nfs/dbraw/zinc/95/00/35/383950035.db2.gz NSFFHOFMHKPCMC-UHFFFAOYSA-N 0 0 226.073 2.437 50 0 BEAARN c1cn(Cc2nc(-c3ccsc3)no2)cn1 ZINC000071890243 383950890 /nfs/dbraw/zinc/95/08/90/383950890.db2.gz UCNVNJVZNQSOSL-UHFFFAOYSA-N 0 0 232.268 2.043 50 0 BEAARN CSC1=N/C(=C\c2ccccc2)C(=O)N1C ZINC000002127204 383952165 /nfs/dbraw/zinc/95/21/65/383952165.db2.gz TUZDVWFPOBZFFC-NTMALXAHSA-N 0 0 232.308 2.219 50 0 BEAARN Fc1cccc(-n2cc(-c3ncc[nH]3)cn2)c1 ZINC000067880977 383956526 /nfs/dbraw/zinc/95/65/26/383956526.db2.gz FZZKZZQHFFZQJW-UHFFFAOYSA-N 0 0 228.230 2.402 50 0 BEAARN Cc1n[nH]cc1CCCNc1ccc(F)cn1 ZINC000050182950 383959489 /nfs/dbraw/zinc/95/94/89/383959489.db2.gz OQWFFQBLOSIPRT-UHFFFAOYSA-N 0 0 234.278 2.297 50 0 BEAARN Cc1n[nH]cc1CCCNC(=O)C1CCCCC1 ZINC000050183571 383960599 /nfs/dbraw/zinc/96/05/99/383960599.db2.gz KNAPPYHMWVVMCX-UHFFFAOYSA-N 0 0 249.358 2.347 50 0 BEAARN Cc1cnc(F)c(I)c1 ZINC000002384114 383961997 /nfs/dbraw/zinc/96/19/97/383961997.db2.gz ANOOZLFFCNANTR-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 in-vitro BEAARN CCOC(=O)c1ccccc1C(=O)C1CC1 ZINC000002514269 383968740 /nfs/dbraw/zinc/96/87/40/383968740.db2.gz ATKHDRDYCXFGBW-UHFFFAOYSA-N 0 0 218.252 2.456 50 0 BEAARN Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000002558430 383973108 /nfs/dbraw/zinc/97/31/08/383973108.db2.gz LKKVVLCJEWGQJO-UHFFFAOYSA-N 0 0 243.097 2.215 50 0 BEAARN Cc1cc(C)c2occ(C=O)c(=O)c2c1 ZINC000002557027 383973361 /nfs/dbraw/zinc/97/33/61/383973361.db2.gz KVVDPSWFSZPYET-UHFFFAOYSA-N 0 0 202.209 2.222 50 0 BEAARN CCc1ccc2occ(C=O)c(=O)c2c1 ZINC000002557019 383974012 /nfs/dbraw/zinc/97/40/12/383974012.db2.gz XCKTXKYXKJJGBA-UHFFFAOYSA-N 0 0 202.209 2.168 50 0 BEAARN CCOP(=O)(OCC)[C@H](O)C(F)(F)F ZINC000002561347 383976028 /nfs/dbraw/zinc/97/60/28/383976028.db2.gz ZVRKPNJLSIJXPF-YFKPBYRVSA-N 0 0 236.126 2.133 50 0 BEAARN COC(=O)c1cc2cc(F)ccc2cn1 ZINC000113321315 383977653 /nfs/dbraw/zinc/97/76/53/383977653.db2.gz XXUMEOYMUHEQKZ-UHFFFAOYSA-N 0 0 205.188 2.161 50 0 BEAARN CC(C)C(=O)Nc1cnc2c(c1)CCC2 ZINC000257182281 384022678 /nfs/dbraw/zinc/02/26/78/384022678.db2.gz GJVMJQBWULCGPX-UHFFFAOYSA-N 0 0 204.273 2.165 50 0 BEAARN O=C(c1ccccn1)N1CCC[C@@H]2CCC[C@H]21 ZINC000089878938 384003412 /nfs/dbraw/zinc/00/34/12/384003412.db2.gz CUHFTDHMAGGXSP-WCQYABFASA-N 0 0 230.311 2.486 50 0 BEAARN COc1cc(-c2ccc(C)cc2)nc(N)n1 ZINC000068677045 384007931 /nfs/dbraw/zinc/00/79/31/384007931.db2.gz REVNVBGGSVQCHF-UHFFFAOYSA-N 0 0 215.256 2.043 50 0 BEAARN Cc1nnc(NC(=O)CC(C)(C)C)s1 ZINC000000285389 384010598 /nfs/dbraw/zinc/01/05/98/384010598.db2.gz UEYUGJJYXAZOGC-UHFFFAOYSA-N 0 0 213.306 2.221 50 0 BEAARN COC(=O)c1cc2ccc(N(C)C)cc2[nH]1 ZINC000004235035 384050053 /nfs/dbraw/zinc/05/00/53/384050053.db2.gz IIGZZJJTRBYJLR-UHFFFAOYSA-N 0 0 218.256 2.021 50 0 BEAARN O=C([O-])C[NH2+]Cc1c(Cl)cccc1Cl ZINC000004670101 384053773 /nfs/dbraw/zinc/05/37/73/384053773.db2.gz ILKDPXNSQNXPHP-UHFFFAOYSA-N 0 0 234.082 2.168 50 0 BEAARN O=Cc1cc(Br)cc2c1OCC2 ZINC000004287695 384053801 /nfs/dbraw/zinc/05/38/01/384053801.db2.gz LQCBHNHULMHKFB-UHFFFAOYSA-N 0 0 227.057 2.197 50 0 BEAARN COC(=O)c1c(N)sc2c1CCCCC2 ZINC000003865924 384030714 /nfs/dbraw/zinc/03/07/14/384030714.db2.gz BDPLKEMLVDUYRR-UHFFFAOYSA-N 0 0 225.313 2.386 50 0 BEAARN O=Cc1c(-c2ccccc2)nc2ncccn12 ZINC000003866586 384031936 /nfs/dbraw/zinc/03/19/36/384031936.db2.gz PEDHZELVODHMGJ-UHFFFAOYSA-N 0 0 223.235 2.209 50 0 BEAARN CNc1nc(-c2ccccc2)ncc1OC ZINC000004060820 384039975 /nfs/dbraw/zinc/03/99/75/384039975.db2.gz ISAAHKWJEGJNBZ-UHFFFAOYSA-N 0 0 215.256 2.194 50 0 BEAARN O=C(/C=C/c1ccco1)n1nnc2ccccc21 ZINC000004902315 384088911 /nfs/dbraw/zinc/08/89/11/384088911.db2.gz JAZMWSMRXZBXDY-BQYQJAHWSA-N 0 0 239.234 2.378 50 0 BEAARN CCN(CC)c1nc2ccccc2n2cnnc12 ZINC000000012507 384111585 /nfs/dbraw/zinc/11/15/85/384111585.db2.gz KTRZFDUOUIVFLG-UHFFFAOYSA-N 0 0 241.298 2.124 50 0 in-vitro BEAARN CNc1nc(SC)nc2ccccc21 ZINC000005526047 384118765 /nfs/dbraw/zinc/11/87/65/384118765.db2.gz VSPFGWZJQAHKLL-UHFFFAOYSA-N 0 0 205.286 2.393 50 0 BEAARN CC[C@H](O)Cn1ncnc1-c1cc(F)ccc1C ZINC000091651147 384136523 /nfs/dbraw/zinc/13/65/23/384136523.db2.gz MPYWDJBMTFMZNX-NSHDSACASA-N 0 0 249.289 2.164 50 0 BEAARN CC[C@H](CO)[NH2+]Cc1c(F)cccc1Cl ZINC000005908169 384137064 /nfs/dbraw/zinc/13/70/64/384137064.db2.gz DUAXRDVUQGOPLR-MRVPVSSYSA-N 0 0 231.698 2.340 50 0 BEAARN C[C@@H]1Cc2c(Br)cccc2C(=O)N1 ZINC000070587824 384121892 /nfs/dbraw/zinc/12/18/92/384121892.db2.gz TXSSOAPEHHIASE-ZCFIWIBFSA-N 0 0 240.100 2.124 50 0 BEAARN Cc1ccc(-c2cc(Cn3ccnn3)on2)cc1 ZINC000128061797 384125189 /nfs/dbraw/zinc/12/51/89/384125189.db2.gz CJMNLEZVKUMSOZ-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN CS(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000361788 384132055 /nfs/dbraw/zinc/13/20/55/384132055.db2.gz NWZHHUBXSJEWMS-UHFFFAOYSA-N 0 0 240.111 2.365 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)OCc1nc2ccccc2[nH]1 ZINC000042369217 384146138 /nfs/dbraw/zinc/14/61/38/384146138.db2.gz RJLWBZXNVWPMOW-RKDXNWHRSA-N 0 0 230.267 2.262 50 0 BEAARN Fc1ccc(-c2nc(Cn3ccnn3)co2)cc1 ZINC000128082638 384146209 /nfs/dbraw/zinc/14/62/09/384146209.db2.gz GSOZPPQCYSFXCB-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN Fc1ccc2nc(C(F)(F)F)cn2c1 ZINC000116945770 384160965 /nfs/dbraw/zinc/16/09/65/384160965.db2.gz NMGVIWWTHDISSN-UHFFFAOYSA-N 0 0 204.126 2.492 50 0 BEAARN CCN(C(=O)[C@@H](C)CSC)c1ccncc1 ZINC000071910398 384161287 /nfs/dbraw/zinc/16/12/87/384161287.db2.gz VNDMCTRJOYZBNP-JTQLQIEISA-N 0 0 238.356 2.434 50 0 BEAARN CCc1ccc(NC(=O)c2ccnn2C)cc1 ZINC000006698321 384162428 /nfs/dbraw/zinc/16/24/28/384162428.db2.gz IHLOFCSIYOCKQD-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN CCN(C(=O)c1coc2ccccc12)[C@@H](C)CO ZINC000071388620 384166623 /nfs/dbraw/zinc/16/66/23/384166623.db2.gz YQDJRKIVEUZXBH-JTQLQIEISA-N 0 0 247.294 2.276 50 0 BEAARN CSC1=N/C(=C\C=C\c2ccccc2)C(=O)N1 ZINC000006850225 384169758 /nfs/dbraw/zinc/16/97/58/384169758.db2.gz DSJWKTODCOCNPH-PAUBHIBZSA-N 0 0 244.319 2.433 50 0 BEAARN COC(=O)c1ccc(N2CCCCCC2)c(N)c1 ZINC000041079916 384178290 /nfs/dbraw/zinc/17/82/90/384178290.db2.gz JZWQTDDIBCHGFC-UHFFFAOYSA-N 0 0 248.326 2.436 50 0 BEAARN C[C@@H](CCC(C)(C)O)NC(=O)c1ccccc1 ZINC000071774221 384178394 /nfs/dbraw/zinc/17/83/94/384178394.db2.gz GSCXHZIPXLKRIE-NSHDSACASA-N 0 0 235.327 2.356 50 0 BEAARN Fc1cc2nc[nH]c2cc1Br ZINC000071790111 384179431 /nfs/dbraw/zinc/17/94/31/384179431.db2.gz JNOXZOAZSLHRAA-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN CCO[C@H](C)c1nccn1C[C@H]1CCCO1 ZINC000097378335 384184227 /nfs/dbraw/zinc/18/42/27/384184227.db2.gz GIEUHGHMXAXHPG-GHMZBOCLSA-N 0 0 224.304 2.160 50 0 BEAARN COC(=O)c1cc2occc2c(OC)c1 ZINC000072228351 384201503 /nfs/dbraw/zinc/20/15/03/384201503.db2.gz STRGGTSNBAPOSA-UHFFFAOYSA-N 0 0 206.197 2.228 50 0 biogenic BEAARN Clc1cnc2c(Br)cnn2c1 ZINC000118532765 384202349 /nfs/dbraw/zinc/20/23/49/384202349.db2.gz FYWMEWXIWGOWCJ-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN CO[C@@H]1CCCC[C@H]1OC(=O)C1CCC1 ZINC000097404914 384204501 /nfs/dbraw/zinc/20/45/01/384204501.db2.gz VUTNEPGKFVOBSS-GHMZBOCLSA-N 0 0 212.289 2.287 50 0 BEAARN COc1ncnc2c3ccccc3oc21 ZINC000004907162 384206984 /nfs/dbraw/zinc/20/69/84/384206984.db2.gz AIIYGBLNDOFIBC-UHFFFAOYSA-N 0 0 200.197 2.385 50 0 BEAARN CCO[C@@H]1C[C@@H](NC(=O)C2CCC2)C1(C)C ZINC000071915420 384190641 /nfs/dbraw/zinc/19/06/41/384190641.db2.gz FMXVPPBHMPIQLY-GHMZBOCLSA-N 0 0 225.332 2.106 50 0 BEAARN CCc1ccsc1C(=O)Nc1cnccn1 ZINC000097379835 384190977 /nfs/dbraw/zinc/19/09/77/384190977.db2.gz RCEODABCBSFZNM-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN CCc1cc(C(=O)Nc2cnccn2)oc1CC ZINC000097379863 384191035 /nfs/dbraw/zinc/19/10/35/384191035.db2.gz DQYWWAQWRHZEMP-UHFFFAOYSA-N 0 0 245.282 2.447 50 0 BEAARN Cc1cc(C)cc(CN2CCOCC2)c1 ZINC000040465715 384191483 /nfs/dbraw/zinc/19/14/83/384191483.db2.gz PRMNXQOPWXJFHJ-UHFFFAOYSA-N 0 0 205.301 2.136 50 0 BEAARN CCONC(=O)c1ccc(OCC(C)C)cc1 ZINC000036392594 384207658 /nfs/dbraw/zinc/20/76/58/384207658.db2.gz PVSKNZJVQROGDI-UHFFFAOYSA-N 0 0 237.299 2.403 50 0 BEAARN CCc1ccc(CC(=O)Nc2cnccn2)cc1 ZINC000097379991 384191913 /nfs/dbraw/zinc/19/19/13/384191913.db2.gz SSHKYGJSFOTHRU-UHFFFAOYSA-N 0 0 241.294 2.220 50 0 BEAARN CCCCOCC(=O)N[C@@H]1COc2ccccc21 ZINC000118217672 384193973 /nfs/dbraw/zinc/19/39/73/384193973.db2.gz GQUOIQGIHRWMLL-GFCCVEGCSA-N 0 0 249.310 2.053 50 0 BEAARN COc1cc(CO)c(Br)cc1C ZINC000072190667 384197755 /nfs/dbraw/zinc/19/77/55/384197755.db2.gz ROMVGEWQOADZHE-UHFFFAOYSA-N 0 0 231.089 2.258 50 0 BEAARN Nc1nc(C2CC2)c(Br)s1 ZINC000072192167 384198558 /nfs/dbraw/zinc/19/85/58/384198558.db2.gz PLQAJBCICVJVSB-UHFFFAOYSA-N 0 0 219.107 2.365 50 0 BEAARN CCc1ccc(NS(=O)(=O)C2CC2)cc1F ZINC000336571485 384240958 /nfs/dbraw/zinc/24/09/58/384240958.db2.gz YYKGEHNCFHRNHB-UHFFFAOYSA-N 0 0 243.303 2.292 50 0 BEAARN CCOc1ccc(C(=O)NC)cc1Cl ZINC000072437179 384222490 /nfs/dbraw/zinc/22/24/90/384222490.db2.gz QTXBCHNQZNUVAQ-UHFFFAOYSA-N 0 0 213.664 2.098 50 0 BEAARN Cc1ccc(CC(=O)NC(C)C)c(C)c1 ZINC000072441227 384222961 /nfs/dbraw/zinc/22/29/61/384222961.db2.gz MCKSVNFAXLNYCB-UHFFFAOYSA-N 0 0 205.301 2.371 50 0 BEAARN COC(=O)c1cccc2c1O[C@H](C)[C@@H]2C ZINC000073193844 384244816 /nfs/dbraw/zinc/24/48/16/384244816.db2.gz JSLIOTYZZRXGLQ-JGVFFNPUSA-N 0 0 206.241 2.358 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(C(C)(C)O)CC1 ZINC000079065641 384261796 /nfs/dbraw/zinc/26/17/96/384261796.db2.gz XJAZPQRQWDJGRT-UHFFFAOYSA-N 0 0 243.347 2.404 50 0 BEAARN O=C(NCCc1cccc2cc[nH]c21)C(F)F ZINC000408514906 384271458 /nfs/dbraw/zinc/27/14/58/384271458.db2.gz PUNYVYHNISYZHZ-UHFFFAOYSA-N 0 0 238.237 2.092 50 0 BEAARN O=Cc1ccc(N2CCSCC2)s1 ZINC000012336773 384309269 /nfs/dbraw/zinc/30/92/69/384309269.db2.gz MFVVVXGBDVAGDN-UHFFFAOYSA-N 0 0 213.327 2.114 50 0 BEAARN Cc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000012341264 384311478 /nfs/dbraw/zinc/31/14/78/384311478.db2.gz LZCBLIMPXSLXIG-BQYQJAHWSA-N 0 0 245.307 2.498 50 0 BEAARN O=Cc1ccccc1OCC(F)(F)F ZINC000012354424 384314210 /nfs/dbraw/zinc/31/42/10/384314210.db2.gz MNWBWWJSOWACTN-UHFFFAOYSA-N 0 0 204.147 2.440 50 0 BEAARN Cc1ccc(OCCn2ccccc2=O)cc1 ZINC000061111268 384284422 /nfs/dbraw/zinc/28/44/22/384284422.db2.gz DRLBJOMUHMROSC-UHFFFAOYSA-N 0 0 229.279 2.236 50 0 BEAARN Cc1csc2nc(Cl)c(C=O)n12 ZINC000011757357 384296063 /nfs/dbraw/zinc/29/60/63/384296063.db2.gz GSNCCGDAPCLMRZ-UHFFFAOYSA-N 0 0 200.650 2.170 50 0 BEAARN Cc1cnc(CN2CCC(CF)CC2)o1 ZINC000295124089 384321875 /nfs/dbraw/zinc/32/18/75/384321875.db2.gz KDHLEWMILVTAOE-UHFFFAOYSA-N 0 0 212.268 2.165 50 0 BEAARN COC(=O)c1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000044700082 384355788 /nfs/dbraw/zinc/35/57/88/384355788.db2.gz RVFKEFXJTGCINI-UHFFFAOYSA-N 0 0 244.172 2.368 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)no1 ZINC000013329515 384355833 /nfs/dbraw/zinc/35/58/33/384355833.db2.gz KWFRVTIJRXACOX-PSASIEDQSA-N 0 0 222.288 2.292 50 0 BEAARN Nc1n[nH]c(S[C@H]2CCc3ccccc3C2)n1 ZINC000097103003 384356593 /nfs/dbraw/zinc/35/65/93/384356593.db2.gz JNNHVGTYZVMHDT-JTQLQIEISA-N 0 0 246.339 2.037 50 0 BEAARN C[C@@H](CCn1cccn1)Nc1cccc(O)c1 ZINC000097104740 384357561 /nfs/dbraw/zinc/35/75/61/384357561.db2.gz DLIWRNKAHZOYMD-NSHDSACASA-N 0 0 231.299 2.479 50 0 BEAARN CC(=O)CC(C)(C)CC(=O)OCCOC(C)C ZINC000097105280 384358053 /nfs/dbraw/zinc/35/80/53/384358053.db2.gz SXGRQXRWNPMWEP-UHFFFAOYSA-N 0 0 244.331 2.350 50 0 BEAARN Cc1ccc([C@@H]2Cc3oncc3C(=O)C2)o1 ZINC000095117756 384364995 /nfs/dbraw/zinc/36/49/95/384364995.db2.gz ROHBEFQPMZDQFM-QMMMGPOBSA-N 0 0 217.224 2.489 50 0 BEAARN C[C@@H]1C[C@H](Nc2ncccc2F)CCO1 ZINC000220115073 384366543 /nfs/dbraw/zinc/36/65/43/384366543.db2.gz NRWMCLFLTUTRAO-RKDXNWHRSA-N 0 0 210.252 2.200 50 0 BEAARN CC[C@@H](NCc1nc(C)no1)c1nccs1 ZINC000097110748 384370933 /nfs/dbraw/zinc/37/09/33/384370933.db2.gz VLWYVVYUDODATH-MRVPVSSYSA-N 0 0 238.316 2.075 50 0 BEAARN Cc1cnc(N2CCCC3(CCOCC3)C2)nc1 ZINC000095376148 384370963 /nfs/dbraw/zinc/37/09/63/384370963.db2.gz JJJVXSRUWXTWKC-UHFFFAOYSA-N 0 0 247.342 2.182 50 0 BEAARN COCCCC1CCN(c2ncc(C)cn2)CC1 ZINC000095388407 384371238 /nfs/dbraw/zinc/37/12/38/384371238.db2.gz UOORVYOVZKXLPX-UHFFFAOYSA-N 0 0 249.358 2.428 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000095348154 384372337 /nfs/dbraw/zinc/37/23/37/384372337.db2.gz FXVLUNMZSAJYNE-ZJUUUORDSA-N 0 0 229.320 2.205 50 0 BEAARN Cc1ccnc(N[C@@H](c2nccn2C)C(C)C)n1 ZINC000095389400 384372950 /nfs/dbraw/zinc/37/29/50/384372950.db2.gz NJOXZHHCGGQLTG-LLVKDONJSA-N 0 0 245.330 2.328 50 0 BEAARN Cc1nc(CNc2cc(F)c(F)cc2F)no1 ZINC000097080267 384324402 /nfs/dbraw/zinc/32/44/02/384324402.db2.gz IQTLKJVRMCIPAL-UHFFFAOYSA-N 0 0 243.188 2.407 50 0 BEAARN C[C@]12CCc3ccccc3[C@]1(C)NC(=O)O2 ZINC000004343963 384326370 /nfs/dbraw/zinc/32/63/70/384326370.db2.gz XJVXPDBBVSIYOA-STQMWFEESA-N 0 0 217.268 2.347 50 0 BEAARN CCCCNC(=O)[C@H](C)Cn1cc(Cl)cn1 ZINC000032611180 384328263 /nfs/dbraw/zinc/32/82/63/384328263.db2.gz DONFFELTPWZZLT-SECBINFHSA-N 0 0 243.738 2.089 50 0 BEAARN CC(C)(C)c1nc2[nH]cnc2c(Cl)n1 ZINC000095761450 384395114 /nfs/dbraw/zinc/39/51/14/384395114.db2.gz YHTFVYWJMQPKDO-UHFFFAOYSA-N 0 0 210.668 2.304 50 0 BEAARN Cn1c(=O)ccc2cc(Br)ccc21 ZINC000095775467 384395277 /nfs/dbraw/zinc/39/52/77/384395277.db2.gz XZCNHDAUOLXBPV-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN Ic1ccc2c[nH]nc2c1 ZINC000014983495 384412014 /nfs/dbraw/zinc/41/20/14/384412014.db2.gz RSGAXJZKQDNFEP-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN CCOc1cncc(Br)c1 ZINC000014982253 384412500 /nfs/dbraw/zinc/41/25/00/384412500.db2.gz FYUMRYNAZSTXJV-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN CCOc1ccnc(Br)c1 ZINC000014982248 384413143 /nfs/dbraw/zinc/41/31/43/384413143.db2.gz KHYRTLFFJPCFQC-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN O=Cc1cc(Br)cc(C=O)c1 ZINC000014985591 384413214 /nfs/dbraw/zinc/41/32/14/384413214.db2.gz QAQOLRCTTDVBAK-UHFFFAOYSA-N 0 0 213.030 2.074 50 0 BEAARN Nc1cnc2[nH]cc(C(F)(F)F)c2c1 ZINC000095936854 384415395 /nfs/dbraw/zinc/41/53/95/384415395.db2.gz HPOJMMBIENNOOO-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 BEAARN O=C(/C=C\c1ccc(F)cc1)n1cccn1 ZINC000033735523 384417199 /nfs/dbraw/zinc/41/71/99/384417199.db2.gz XBXRRGZHQYXUNS-DAXSKMNVSA-N 0 0 216.215 2.376 50 0 BEAARN COc1c(C)cc(C(N)=O)cc1C(F)(F)F ZINC000096029411 384420795 /nfs/dbraw/zinc/42/07/95/384420795.db2.gz XXEJFZMPVFRXHR-UHFFFAOYSA-N 0 0 233.189 2.121 50 0 BEAARN O=C1c2ccccc2[C@H](O)N1C1CCCCC1 ZINC000013943620 384378812 /nfs/dbraw/zinc/37/88/12/384378812.db2.gz QFJYVOQFFWBMQB-ZDUSSCGKSA-N 0 0 231.295 2.466 50 0 BEAARN Cc1cc(Br)cc(F)c1N ZINC000095627774 384382321 /nfs/dbraw/zinc/38/23/21/384382321.db2.gz SLNCSLAIDQBUKN-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN O=c1[nH]ccc(C(F)(F)F)c1Br ZINC000095627777 384382766 /nfs/dbraw/zinc/38/27/66/384382766.db2.gz QTMMEPGVXIAKFQ-UHFFFAOYSA-N 0 0 241.994 2.156 50 0 BEAARN Fc1ccc(-c2noc(CN3CCCC3)n2)cc1 ZINC000072790572 384383076 /nfs/dbraw/zinc/38/30/76/384383076.db2.gz NALPEFAJDYUMAD-UHFFFAOYSA-N 0 0 247.273 2.472 50 0 BEAARN CC(C)(C)OC(=O)NC1=NCC(=O)C=C1 ZINC000095635148 384384824 /nfs/dbraw/zinc/38/48/24/384384824.db2.gz PTSCRRDRANSZAM-UHFFFAOYSA-N 0 0 210.233 2.134 50 0 BEAARN Nc1cc(Cl)c(OC(F)(F)F)cc1N ZINC000095642854 384386738 /nfs/dbraw/zinc/38/67/38/384386738.db2.gz YSQAWXIJOLCDIC-UHFFFAOYSA-N 0 0 226.585 2.403 50 0 BEAARN CCOCc1nnc(NC(=O)C(C)(C)C)s1 ZINC000004510365 384387320 /nfs/dbraw/zinc/38/73/20/384387320.db2.gz JGHFZEIRUIFCSX-UHFFFAOYSA-N 0 0 243.332 2.059 50 0 BEAARN C/C=C\CN1CCN(c2ccccc2OC)CC1 ZINC000096927277 384450001 /nfs/dbraw/zinc/45/00/01/384450001.db2.gz ZLXKOHOCHGNMDQ-ARJAWSKDSA-N 0 0 246.354 2.393 50 0 BEAARN C/C=C\CN(C)CC(=O)Nc1cccc(F)c1 ZINC000096927296 384450837 /nfs/dbraw/zinc/45/08/37/384450837.db2.gz VPDBPLHYAPPQML-ARJAWSKDSA-N 0 0 236.290 2.272 50 0 BEAARN CCCc1cc(C(=O)N2CCC[C@H](C)C2)[nH]n1 ZINC000029510528 384451237 /nfs/dbraw/zinc/45/12/37/384451237.db2.gz DKEPYVGACXRFFG-JTQLQIEISA-N 0 0 235.331 2.234 50 0 BEAARN CCc1cccc2c3nnc(=S)[nH]c3n(C)c21 ZINC000096319331 384452921 /nfs/dbraw/zinc/45/29/21/384452921.db2.gz TYSGPBXZUJOJFR-UHFFFAOYSA-N 0 0 244.323 2.368 50 0 BEAARN Cc1nc(NCc2ccc(Cl)cc2)n[nH]1 ZINC000015356878 384429473 /nfs/dbraw/zinc/42/94/73/384429473.db2.gz LRLRGEUDCHUSTB-UHFFFAOYSA-N 0 0 222.679 2.379 50 0 BEAARN Cc1cc(-c2nc([C@@H]3CCOC3)no2)c(C)n1C ZINC000096150418 384436823 /nfs/dbraw/zinc/43/68/23/384436823.db2.gz WPYRDNFOBRJPPW-SNVBAGLBSA-N 0 0 247.298 2.196 50 0 BEAARN CN(C)c1nc(-c2cc3ccccc3o2)nn1C ZINC000096153206 384436835 /nfs/dbraw/zinc/43/68/35/384436835.db2.gz VNOWPXRCMWSYPY-UHFFFAOYSA-N 0 0 242.282 2.294 50 0 BEAARN COC[C@@H](C)Nc1nc2ccccc2o1 ZINC000032905344 384442647 /nfs/dbraw/zinc/44/26/47/384442647.db2.gz SSWPEWAZLVQXLH-MRVPVSSYSA-N 0 0 206.245 2.275 50 0 BEAARN CN(CCO)C(=O)Nc1cccc2c1CCCC2 ZINC000078800764 384465076 /nfs/dbraw/zinc/46/50/76/384465076.db2.gz UJINLMXPHIOYQU-UHFFFAOYSA-N 0 0 248.326 2.021 50 0 BEAARN COC(=O)c1cccc(-c2ccc(N)nc2)c1 ZINC000016946532 384472257 /nfs/dbraw/zinc/47/22/57/384472257.db2.gz CRPQWUQZQCLMOA-UHFFFAOYSA-N 0 0 228.251 2.117 50 0 BEAARN Cc1ccc(C)c(OCC(=O)n2cccn2)c1 ZINC000016971261 384477324 /nfs/dbraw/zinc/47/73/24/384477324.db2.gz AUHBFAYAYACNBH-UHFFFAOYSA-N 0 0 230.267 2.219 50 0 BEAARN C[C@@H](NC(=O)C1CCC1)c1cccnc1 ZINC000048325890 384484037 /nfs/dbraw/zinc/48/40/37/384484037.db2.gz XBUQULQPLCYUSL-SECBINFHSA-N 0 0 204.273 2.059 50 0 BEAARN O=c1[nH]c2cc(Br)c(F)cc2o1 ZINC000097053870 384492810 /nfs/dbraw/zinc/49/28/10/384492810.db2.gz FODNOVDORFCKAO-UHFFFAOYSA-N 0 0 232.008 2.023 50 0 BEAARN CCc1ccccc1NC(=O)OCCOC ZINC000002166453 384517525 /nfs/dbraw/zinc/51/75/25/384517525.db2.gz HQIOFAXMOJAORO-UHFFFAOYSA-N 0 0 223.272 2.444 50 0 BEAARN CCS[C@@H]1CCCC[C@H]1NC(C)=O ZINC000095408786 384523746 /nfs/dbraw/zinc/52/37/46/384523746.db2.gz IHDTUDKWHBNSMF-NXEZZACHSA-N 0 0 201.335 2.187 50 0 BEAARN CC(C)CNC(=O)CSc1ccccc1N ZINC000019477086 384526004 /nfs/dbraw/zinc/52/60/04/384526004.db2.gz VSJJAISLSSQZKK-UHFFFAOYSA-N 0 0 238.356 2.133 50 0 BEAARN CC(=O)c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000019510439 384526379 /nfs/dbraw/zinc/52/63/79/384526379.db2.gz KGRCJBGGFKEGSU-LBPRGKRZSA-N 0 0 233.267 2.007 50 0 BEAARN COC(=O)c1cncc(-c2cccc(O)c2)c1 ZINC000097757148 384554683 /nfs/dbraw/zinc/55/46/83/384554683.db2.gz XIEDVSREQZLUFE-UHFFFAOYSA-N 0 0 229.235 2.241 50 0 BEAARN C[C@H]1OCCN(c2nc3ccccc3[nH]2)[C@H]1C ZINC000270561999 384537252 /nfs/dbraw/zinc/53/72/52/384537252.db2.gz JZIAIMDPJNHGMK-VHSXEESVSA-N 0 0 231.299 2.177 50 0 BEAARN CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000073189949 384577560 /nfs/dbraw/zinc/57/75/60/384577560.db2.gz GKMSKOKQHRLOJO-OLZOCXBDSA-N 0 0 249.358 2.339 50 0 BEAARN CCCCN1C(=O)C2=C(CCCC2)C1=O ZINC000020169451 384588659 /nfs/dbraw/zinc/58/86/59/384588659.db2.gz INJNISDLRPIFHD-UHFFFAOYSA-N 0 0 207.273 2.026 50 0 BEAARN Cc1conc1NC(=O)OCC(F)(F)F ZINC000098209998 384603451 /nfs/dbraw/zinc/60/34/51/384603451.db2.gz IYIFDNGDSUGITP-UHFFFAOYSA-N 0 0 224.138 2.094 50 0 BEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccccc1 ZINC000100006736 384607081 /nfs/dbraw/zinc/60/70/81/384607081.db2.gz QJDASFMHCXUEQK-TXEJJXNPSA-N 0 0 227.263 2.142 50 0 BEAARN O=C1CCC[C@H]2c3cc(F)ccc3N[C@@H]12 ZINC000100021631 384609158 /nfs/dbraw/zinc/60/91/58/384609158.db2.gz IHIIJLANCVFABM-QPUJVOFHSA-N 0 0 205.232 2.456 50 0 BEAARN Cc1ccsc1COC(=O)c1cnn(C)c1 ZINC000097047380 384600358 /nfs/dbraw/zinc/60/03/58/384600358.db2.gz IVDJOIODJZEDQG-UHFFFAOYSA-N 0 0 236.296 2.147 50 0 BEAARN COC(=O)[C@@H](O)c1cccc(Cl)c1Cl ZINC000050974320 384655123 /nfs/dbraw/zinc/65/51/23/384655123.db2.gz PWIYXISMBHIJAU-QMMMGPOBSA-N 0 0 235.066 2.200 50 0 BEAARN COC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000050974709 384655413 /nfs/dbraw/zinc/65/54/13/384655413.db2.gz ZIRDWWNAXJFVAZ-MRVPVSSYSA-N 0 0 235.066 2.200 50 0 BEAARN CCOC(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000022005723 384724274 /nfs/dbraw/zinc/72/42/74/384724274.db2.gz SJGFAGDJJKISNM-GQCTYLIASA-N 0 0 218.252 2.198 50 0 in-vitro BEAARN CCc1ccc(C(=O)NO[C@@H]2CCCCO2)o1 ZINC000072059940 384679767 /nfs/dbraw/zinc/67/97/67/384679767.db2.gz JSEZIPBMLLTKHK-LLVKDONJSA-N 0 0 239.271 2.030 50 0 BEAARN CCOCCNC(=S)Nc1ccccc1 ZINC000002884435 384682230 /nfs/dbraw/zinc/68/22/30/384682230.db2.gz DCOVEDKIRIJGLX-UHFFFAOYSA-N 0 0 224.329 2.010 50 0 BEAARN CS(=O)(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076855278 384700248 /nfs/dbraw/zinc/70/02/48/384700248.db2.gz STBBIODEDOGHAR-JTQLQIEISA-N 0 0 243.328 2.156 50 0 BEAARN Cc1csc(C2=C(N)N(C(C)C)CC2=O)n1 ZINC000102243234 384701582 /nfs/dbraw/zinc/70/15/82/384701582.db2.gz HCVQFHCCFANAMH-UHFFFAOYSA-N 0 0 237.328 2.422 50 0 BEAARN CC(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000011888242 384705451 /nfs/dbraw/zinc/70/54/51/384705451.db2.gz ZVUBZRGMHUSDKQ-UHFFFAOYSA-N 0 0 235.674 2.432 50 0 BEAARN COC(=O)CCCSc1ncncc1Cl ZINC000097105121 384707304 /nfs/dbraw/zinc/70/73/04/384707304.db2.gz YYKOWABASPQOJE-UHFFFAOYSA-N 0 0 246.719 2.175 50 0 BEAARN Cn1ncc2c1ncnc2NCc1cccs1 ZINC000021970192 384712252 /nfs/dbraw/zinc/71/22/52/384712252.db2.gz UJLXZWFXXRGHLY-UHFFFAOYSA-N 0 0 245.311 2.037 50 0 BEAARN CC(C)(C)C(=O)Nc1cccc2nccn21 ZINC000052507864 384736152 /nfs/dbraw/zinc/73/61/52/384736152.db2.gz XEOXYTKPMAYCAX-UHFFFAOYSA-N 0 0 217.272 2.319 50 0 BEAARN Cc1cc(C(=O)N2CCC=C(F)C2)ccn1 ZINC000279676711 384738383 /nfs/dbraw/zinc/73/83/83/384738383.db2.gz HCIYWDDVYRUUBB-UHFFFAOYSA-N 0 0 220.247 2.089 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](CO)C2 ZINC000103526560 384779748 /nfs/dbraw/zinc/77/97/48/384779748.db2.gz WPHYDBXMMSEFTR-RTCCRHLQSA-N 0 0 241.331 2.157 50 0 BEAARN Cc1occc1C(=O)O[C@@H](C)Cn1cccn1 ZINC000083793695 384755000 /nfs/dbraw/zinc/75/50/00/384755000.db2.gz GOILDMRDYZZDLF-VIFPVBQESA-N 0 0 234.255 2.030 50 0 BEAARN COC(=O)c1ccnc(Oc2cccc(N)c2)c1 ZINC000083251934 384755132 /nfs/dbraw/zinc/75/51/32/384755132.db2.gz XAOHVURBXWZMAJ-UHFFFAOYSA-N 0 0 244.250 2.243 50 0 BEAARN Cc1nc(Cl)cc(N[C@@](C)(CO)C2CC2)n1 ZINC000084271813 384761640 /nfs/dbraw/zinc/76/16/40/384761640.db2.gz VJBNWQICLQXBIB-NSHDSACASA-N 0 0 241.722 2.011 50 0 BEAARN Nc1ncnc2c3cc4c(nc3sc21)CCC4 ZINC000000495686 384762221 /nfs/dbraw/zinc/76/22/21/384762221.db2.gz XPDZNXYJMHIFNI-UHFFFAOYSA-N 0 0 242.307 2.310 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000013746840 384769078 /nfs/dbraw/zinc/76/90/78/384769078.db2.gz RBKWRERYPKKKEE-SVRRBLITSA-N 0 0 210.664 2.330 50 0 BEAARN O=C(Oc1ccc2c[nH]nc2c1)c1cscn1 ZINC000086030333 384772223 /nfs/dbraw/zinc/77/22/23/384772223.db2.gz AIJZFHVMNRJPLD-UHFFFAOYSA-N 0 0 245.263 2.239 50 0 BEAARN Cn1ncc2c1CCC[C@H]2NC(=O)CC(C)(C)C ZINC000024993475 384837364 /nfs/dbraw/zinc/83/73/64/384837364.db2.gz VARLLVFHNSWGAH-LLVKDONJSA-N 0 0 249.358 2.350 50 0 BEAARN O=C1NC[C@@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000083967372 384825844 /nfs/dbraw/zinc/82/58/44/384825844.db2.gz ZWGMNGIRYITIQN-QMMMGPOBSA-N 0 0 231.173 2.486 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000083988123 384826061 /nfs/dbraw/zinc/82/60/61/384826061.db2.gz DCLIKAUTNCNGEL-MNOVXSKESA-N 0 0 211.305 2.162 50 0 BEAARN CS(=O)(=O)N(CC1CCC1)c1ccccc1 ZINC000084042600 384830940 /nfs/dbraw/zinc/83/09/40/384830940.db2.gz ZRVAKHVLZHAMQD-UHFFFAOYSA-N 0 0 239.340 2.253 50 0 BEAARN Cc1noc(C)c1CCC(=O)Nc1ccccn1 ZINC000023441012 384797847 /nfs/dbraw/zinc/79/78/47/384797847.db2.gz LZYOBXATDVPULY-UHFFFAOYSA-N 0 0 245.282 2.258 50 0 BEAARN C[C@H]1c2cccn2CCN1C(=O)c1ccco1 ZINC000030267179 384815007 /nfs/dbraw/zinc/81/50/07/384815007.db2.gz BJKBMNFRGFKSDB-JTQLQIEISA-N 0 0 230.267 2.298 50 0 BEAARN C[C@@H](Nc1ccccc1)C(=O)N1CCCCC1 ZINC000055420907 384882918 /nfs/dbraw/zinc/88/29/18/384882918.db2.gz RHOCBAMVOIYEOD-GFCCVEGCSA-N 0 0 232.327 2.500 50 0 BEAARN c1ccc(CN2CCO[C@H]3CCCC[C@@H]32)nc1 ZINC000084610048 384883608 /nfs/dbraw/zinc/88/36/08/384883608.db2.gz AANHORXFQWBTRE-KBPBESRZSA-N 0 0 232.327 2.225 50 0 BEAARN Cc1cc(CN2CCOC3(CCCC3)C2)no1 ZINC000084117095 384839720 /nfs/dbraw/zinc/83/97/20/384839720.db2.gz GPUKSDBSMSMOIL-UHFFFAOYSA-N 0 0 236.315 2.128 50 0 BEAARN Cc1cc(C(=O)Nc2cnn(C)c2)c(C)s1 ZINC000025306373 384845983 /nfs/dbraw/zinc/84/59/83/384845983.db2.gz SHMAPUDVDPTTET-UHFFFAOYSA-N 0 0 235.312 2.351 50 0 BEAARN CCC[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000005591455 384847361 /nfs/dbraw/zinc/84/73/61/384847361.db2.gz MKKREYTWDYEBFD-HBNTYKKESA-N 0 0 213.321 2.058 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)o1 ZINC000023305626 384849324 /nfs/dbraw/zinc/84/93/24/384849324.db2.gz NVWAXOBQFKNDMI-HGNGGELXSA-N 0 0 207.273 2.421 50 0 BEAARN O=C(c1ncco1)c1ccc(F)cc1F ZINC000085651166 384960796 /nfs/dbraw/zinc/96/07/96/384960796.db2.gz NJTACQUAWKVSMB-UHFFFAOYSA-N 0 0 209.151 2.184 50 0 BEAARN CC(C)(C)OC(=O)[C@@H](N)CCc1ccccc1 ZINC000085650612 384960934 /nfs/dbraw/zinc/96/09/34/384960934.db2.gz CANQRTXTMVVNCH-LBPRGKRZSA-N 0 0 235.327 2.288 50 0 BEAARN CCOc1ccc(C(=O)O[C@H]2CCOC2)cc1 ZINC000072270455 384902001 /nfs/dbraw/zinc/90/20/01/384902001.db2.gz DKBBAOXUPWDUJA-LBPRGKRZSA-N 0 0 236.267 2.031 50 0 BEAARN c1nc2c(ncnc2SCc2cccnc2)[nH]1 ZINC000004769952 384903226 /nfs/dbraw/zinc/90/32/26/384903226.db2.gz YKLRWNKTMVBHDK-UHFFFAOYSA-N 0 0 243.295 2.040 50 0 in-vitro BEAARN Cc1nc(CN2CCCSCC2)oc1C ZINC000095441992 384907906 /nfs/dbraw/zinc/90/79/06/384907906.db2.gz GSHQFBDZDBRRPC-UHFFFAOYSA-N 0 0 226.345 2.230 50 0 BEAARN COC(=O)c1nc2ccccc2cc1C ZINC000095929563 384914659 /nfs/dbraw/zinc/91/46/59/384914659.db2.gz QPMSEXVWDWSUNK-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN CCOCCCN1CCN(C)c2ccccc21 ZINC000119749883 384920222 /nfs/dbraw/zinc/92/02/22/384920222.db2.gz VHCNCWZVHBZAPR-UHFFFAOYSA-N 0 0 234.343 2.369 50 0 BEAARN O=CNc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000057211597 384930564 /nfs/dbraw/zinc/93/05/64/384930564.db2.gz GCUBEOWELFYUNM-UHFFFAOYSA-N 0 0 241.246 2.474 50 0 BEAARN O=C(CC1CCCC1)OCC(=O)c1ccc[nH]1 ZINC000011029487 384932772 /nfs/dbraw/zinc/93/27/72/384932772.db2.gz QJXLTYMSSBEHQE-UHFFFAOYSA-N 0 0 235.283 2.321 50 0 BEAARN Cc1ccc(OCc2ccccc2)c(CO)n1 ZINC000085973951 384977761 /nfs/dbraw/zinc/97/77/61/384977761.db2.gz VTFUMBATUAVGOW-UHFFFAOYSA-N 0 0 229.279 2.461 50 0 BEAARN COc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000025309966 384981225 /nfs/dbraw/zinc/98/12/25/384981225.db2.gz QOYOPFKIRGRNSM-IONNQARKSA-N 0 0 223.247 2.429 50 0 BEAARN CCOC[C@H](O)CSCc1ccccc1 ZINC000002493961 384989132 /nfs/dbraw/zinc/98/91/32/384989132.db2.gz RBZGUOFSMVSKCC-LBPRGKRZSA-N 0 0 226.341 2.317 50 0 BEAARN Cc1n[nH]cc1CN1CCC[C@@](C)(F)C1 ZINC000296057274 384992671 /nfs/dbraw/zinc/99/26/71/384992671.db2.gz PAHMMDJGMDEWOX-LLVKDONJSA-N 0 0 211.284 2.042 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000058264747 384992693 /nfs/dbraw/zinc/99/26/93/384992693.db2.gz KMEOZQHYWHCJLU-PWSUYJOCSA-N 0 0 245.326 2.276 50 0 BEAARN Cc1n[nH]cc1CN1CCC[C@](C)(F)C1 ZINC000296057276 384993312 /nfs/dbraw/zinc/99/33/12/384993312.db2.gz PAHMMDJGMDEWOX-NSHDSACASA-N 0 0 211.284 2.042 50 0 BEAARN Cc1ccc(CC(=O)N2CCOCC2(C)C)cc1 ZINC000058296975 384996066 /nfs/dbraw/zinc/99/60/66/384996066.db2.gz YHWKJWGPKXQLET-UHFFFAOYSA-N 0 0 247.338 2.175 50 0 BEAARN CC(C)C[C@@H](C)N(C)C(=O)C1CCOCC1 ZINC000058316481 384996519 /nfs/dbraw/zinc/99/65/19/384996519.db2.gz HPPCQMACITTYBX-LLVKDONJSA-N 0 0 227.348 2.306 50 0 BEAARN COC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2 ZINC000058316185 384996859 /nfs/dbraw/zinc/99/68/59/384996859.db2.gz BWXWKPUOCPJFPR-NSHDSACASA-N 0 0 247.338 2.330 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)c1cc(C2CC2)on1 ZINC000058363891 384999506 /nfs/dbraw/zinc/99/95/06/384999506.db2.gz BFNUEPFQVOEPSI-MRVPVSSYSA-N 0 0 234.299 2.423 50 0 BEAARN Cc1cc(C(=O)NCc2cccc(F)c2)on1 ZINC000058688192 385018676 /nfs/dbraw/zinc/01/86/76/385018676.db2.gz WXDYMBIMGCWJRQ-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN CCCCC(=O)N1CCC[C@H](COCC)C1 ZINC000062108245 385052229 /nfs/dbraw/zinc/05/22/29/385052229.db2.gz BDBOLPPDBXVHSC-LBPRGKRZSA-N 0 0 227.348 2.452 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000059979430 385062312 /nfs/dbraw/zinc/06/23/12/385062312.db2.gz ISZLPPFTZXTGHT-HBNTYKKESA-N 0 0 241.331 2.014 50 0 BEAARN CSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1 ZINC000001649723 385077391 /nfs/dbraw/zinc/07/73/91/385077391.db2.gz JRWSDJXMKPOFRX-YFHOEESVSA-N 0 0 232.308 2.185 50 0 BEAARN Cc1noc(C)c1NC(=O)N[C@@H](C)C(C)C ZINC000060343573 385080645 /nfs/dbraw/zinc/08/06/45/385080645.db2.gz RNADFLWIBDSPCT-ZETCQYMHSA-N 0 0 225.292 2.457 50 0 BEAARN C[C@](O)(CNC(=O)Nc1cccs1)C1CC1 ZINC000062021796 385026798 /nfs/dbraw/zinc/02/67/98/385026798.db2.gz UDNSKGPBZUVEAB-NSHDSACASA-N 0 0 240.328 2.031 50 0 BEAARN CC/C=C1/CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000005345100 385031454 /nfs/dbraw/zinc/03/14/54/385031454.db2.gz VMNHJIGDKIPYRW-WMZJFQQLSA-N 0 0 245.278 2.295 50 0 BEAARN CCN(CC)C(=O)c1cccc(Cl)n1 ZINC000051072524 385033462 /nfs/dbraw/zinc/03/34/62/385033462.db2.gz FGCMQANIPVXFJM-UHFFFAOYSA-N 0 0 212.680 2.217 50 0 BEAARN C[C@H](Nc1ncc(F)cn1)c1ccncc1 ZINC000128458698 385037467 /nfs/dbraw/zinc/03/74/67/385037467.db2.gz SVBPRUPKEHWTFR-QMMMGPOBSA-N 0 0 218.235 2.184 50 0 BEAARN Cn1nc2ccc(Br)cc2c1C=O ZINC000059269032 385042863 /nfs/dbraw/zinc/04/28/63/385042863.db2.gz LCFUFGSPCPOBCI-UHFFFAOYSA-N 0 0 239.072 2.148 50 0 BEAARN Clc1ncc(CN2CCCC2)s1 ZINC000086776380 385045548 /nfs/dbraw/zinc/04/55/48/385045548.db2.gz SLNFBNJEISDLGG-UHFFFAOYSA-N 0 0 202.710 2.392 50 0 BEAARN CCCCOCC(=O)Nc1ccc(C2CC2)nn1 ZINC000096410996 385122707 /nfs/dbraw/zinc/12/27/07/385122707.db2.gz SFQLIFDIMDQEBA-UHFFFAOYSA-N 0 0 249.314 2.109 50 0 BEAARN CC(C)C[C@H]1Nc2ccccc2C(=O)N1 ZINC000061714952 385136542 /nfs/dbraw/zinc/13/65/42/385136542.db2.gz SDHMYLCDQYWQQE-NSHDSACASA-N 0 0 204.273 2.214 50 0 biogenic BEAARN CCOCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000060423558 385088967 /nfs/dbraw/zinc/08/89/67/385088967.db2.gz DOSJMQKLSXMFJA-UHFFFAOYSA-N 0 0 248.731 2.150 50 0 BEAARN CO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccco1 ZINC000206861823 385181611 /nfs/dbraw/zinc/18/16/11/385181611.db2.gz YJEOZLQIUXOPRM-WCQYABFASA-N 0 0 249.310 2.440 50 0 BEAARN Cc1nnc(CSC[C@H]2CCCCO2)o1 ZINC000096467779 385183708 /nfs/dbraw/zinc/18/37/08/385183708.db2.gz BZNUXPLKYPUXNE-SECBINFHSA-N 0 0 228.317 2.180 50 0 BEAARN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccoc1 ZINC000096469150 385184054 /nfs/dbraw/zinc/18/40/54/385184054.db2.gz NQJWKPJZFOIUEU-VIFPVBQESA-N 0 0 247.250 2.264 50 0 BEAARN Cc1ccnc(NC(=O)C[C@@H]2C=CCC2)n1 ZINC000032859930 385186131 /nfs/dbraw/zinc/18/61/31/385186131.db2.gz RFRGJRBBNXCTRF-SNVBAGLBSA-N 0 0 217.272 2.080 50 0 BEAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc[nH]c1=O ZINC000031384921 385188303 /nfs/dbraw/zinc/18/83/03/385188303.db2.gz NXORIIFNRQVBQN-CMPLNLGQSA-N 0 0 248.326 2.026 50 0 BEAARN Cc1ccc(Br)c2c(N)n[nH]c21 ZINC000238534009 385189437 /nfs/dbraw/zinc/18/94/37/385189437.db2.gz JNXRSCGSFOUEOQ-UHFFFAOYSA-N 0 0 226.077 2.216 50 0 BEAARN CCO[C@@H](C)Oc1cc(OC)ccc1OC ZINC000044126017 385193078 /nfs/dbraw/zinc/19/30/78/385193078.db2.gz JLESWYRCADUCRK-SECBINFHSA-N 0 0 226.272 2.465 50 0 BEAARN CCCC(=O)N[C@@H](C)CNc1ccccc1 ZINC000096475438 385193128 /nfs/dbraw/zinc/19/31/28/385193128.db2.gz JPBWHNJEUKFZTM-NSHDSACASA-N 0 0 220.316 2.403 50 0 BEAARN CCOc1ccc(C(C)=O)cc1C(=O)OC ZINC000085397442 385161466 /nfs/dbraw/zinc/16/14/66/385161466.db2.gz LZBJJCPKZLIKDB-UHFFFAOYSA-N 0 0 222.240 2.075 50 0 BEAARN CCSCCNC1(C(=O)OC)CCCCC1 ZINC000096424211 385162521 /nfs/dbraw/zinc/16/25/21/385162521.db2.gz RDSSVXQMJRNZKF-UHFFFAOYSA-N 0 0 245.388 2.205 50 0 BEAARN CSc1ccc(OCCn2cncn2)cc1 ZINC000096428918 385164889 /nfs/dbraw/zinc/16/48/89/385164889.db2.gz ZMQXPXORJXIGMQ-UHFFFAOYSA-N 0 0 235.312 2.079 50 0 BEAARN C[C@@]1(CO)CCC[C@@H]1Nc1cncc(Cl)n1 ZINC000096427235 385165577 /nfs/dbraw/zinc/16/55/77/385165577.db2.gz RXKUANIAFUEWSF-KWQFWETISA-N 0 0 241.722 2.093 50 0 BEAARN COC[C@@H](NC(=O)c1ccoc1)c1ccc(C)o1 ZINC000096445124 385170646 /nfs/dbraw/zinc/17/06/46/385170646.db2.gz JJBBSHCYJIDLOX-LLVKDONJSA-N 0 0 249.266 2.299 50 0 BEAARN Cc1nc(COC(=O)[C@@H]2C[C@H]2C)sc1C ZINC000096442726 385171214 /nfs/dbraw/zinc/17/12/14/385171214.db2.gz QJBXIPPMUWFIFT-HZGVNTEJSA-N 0 0 225.313 2.459 50 0 BEAARN CO[C@@H](C)CCOC(=O)c1csc(C)n1 ZINC000096442876 385171429 /nfs/dbraw/zinc/17/14/29/385171429.db2.gz RCPAFZDTLDHBLS-ZETCQYMHSA-N 0 0 229.301 2.033 50 0 BEAARN COCc1ccc(SCCn2cncn2)cc1 ZINC000096447841 385173505 /nfs/dbraw/zinc/17/35/05/385173505.db2.gz GSIYSDKXYOVSFC-UHFFFAOYSA-N 0 0 249.339 2.217 50 0 BEAARN O=C(CC1=CCCCC1)NCCn1cccc1 ZINC000096449886 385173926 /nfs/dbraw/zinc/17/39/26/385173926.db2.gz RITUKFIOASGQPI-UHFFFAOYSA-N 0 0 232.327 2.495 50 0 BEAARN C[C@H]1Oc2c(Br)cccc2NC1=O ZINC000062533508 385175491 /nfs/dbraw/zinc/17/54/91/385175491.db2.gz VHEPADRAYRQXLU-RXMQYKEDSA-N 0 0 242.072 2.169 50 0 BEAARN CCc1ccc(CC)c(N[C@@H]2CCN(C)C2=O)c1 ZINC000096459084 385178432 /nfs/dbraw/zinc/17/84/32/385178432.db2.gz UTGZGYJFXNEYBH-CYBMUJFWSA-N 0 0 246.354 2.454 50 0 BEAARN N[C@H]1CCOc2c3ccccc3ccc2C1=O ZINC000062661243 385180041 /nfs/dbraw/zinc/18/00/41/385180041.db2.gz DZBMXCYJHYHCAR-LBPRGKRZSA-N 0 0 227.263 2.132 50 0 BEAARN C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1 ZINC000000474478 385211448 /nfs/dbraw/zinc/21/14/48/385211448.db2.gz IMKSUXZGXPOISN-ZYHUDNBSSA-N 0 0 219.284 2.043 50 0 BEAARN CC(=O)Nc1nc(-c2ccncc2)cs1 ZINC000006304487 385228953 /nfs/dbraw/zinc/22/89/53/385228953.db2.gz HPKFGKARCKSQCR-UHFFFAOYSA-N 0 0 219.269 2.164 50 0 BEAARN Cc1ccc(O[C@H](C)C(=O)NC2CC2)cc1C ZINC000008050226 385232741 /nfs/dbraw/zinc/23/27/41/385232741.db2.gz YLPFMMXRIGWZJD-LLVKDONJSA-N 0 0 233.311 2.349 50 0 BEAARN COC(=O)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000064032650 385242996 /nfs/dbraw/zinc/24/29/96/385242996.db2.gz HUSNZWYHFRIZPG-WPRPVWTQSA-N 0 0 205.257 2.147 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)O[C@@H]1CCOC1 ZINC000078612259 385244388 /nfs/dbraw/zinc/24/43/88/385244388.db2.gz NIWVXTOQKJEUMV-MJRJWQSSSA-N 0 0 236.242 2.171 50 0 BEAARN O=C1O[C@H](Nc2nccs2)c2ccccc21 ZINC000000104257 385205290 /nfs/dbraw/zinc/20/52/90/385205290.db2.gz ZQWUKVVSXIBRAJ-VIFPVBQESA-N 0 0 232.264 2.424 50 0 BEAARN c1nncn1-c1ccc(Nc2ccccc2)nc1 ZINC000065375061 385304157 /nfs/dbraw/zinc/30/41/57/385304157.db2.gz MAOSEKQGHRNNLR-UHFFFAOYSA-N 0 0 237.266 2.406 50 0 BEAARN CCN(CCn1cnnc1)c1cccc(C)c1 ZINC000065383421 385304731 /nfs/dbraw/zinc/30/47/31/385304731.db2.gz YUJRGTODNGASTH-UHFFFAOYSA-N 0 0 230.315 2.113 50 0 BEAARN CC(C)Cc1nc(CO)n(-c2ccccc2F)n1 ZINC000065406198 385306011 /nfs/dbraw/zinc/30/60/11/385306011.db2.gz AEJXHUFUCDHPOS-UHFFFAOYSA-N 0 0 249.289 2.097 50 0 BEAARN COc1cc(F)ccc1-c1cc(CO)ccn1 ZINC000065399192 385306443 /nfs/dbraw/zinc/30/64/43/385306443.db2.gz QDWPKFALKNLWAZ-UHFFFAOYSA-N 0 0 233.242 2.389 50 0 BEAARN Cc1c(-n2cccc2)cccc1-n1cnnc1 ZINC000065456227 385311785 /nfs/dbraw/zinc/31/17/85/385311785.db2.gz HTLIDMBBRVGELN-UHFFFAOYSA-N 0 0 224.267 2.366 50 0 BEAARN O=c1c2ccc[nH]c-2cn1-c1ccc(Cl)nc1 ZINC000065457627 385312276 /nfs/dbraw/zinc/31/22/76/385312276.db2.gz WCIWDOMEVSPNLX-UHFFFAOYSA-N 0 0 245.669 2.290 50 0 BEAARN Cc1cc(C)n([C@H](C)c2n[nH]c(CC(C)C)n2)n1 ZINC000065464469 385313702 /nfs/dbraw/zinc/31/37/02/385313702.db2.gz XLCKOJMJHXSLDF-LLVKDONJSA-N 0 0 247.346 2.426 50 0 BEAARN CCCc1ccc(-n2cc(CCO)cn2)cc1 ZINC000065491453 385317011 /nfs/dbraw/zinc/31/70/11/385317011.db2.gz VREUOSBLBJNJNL-UHFFFAOYSA-N 0 0 230.311 2.360 50 0 BEAARN COC(=O)c1ccc(OC)cc1Cl ZINC000034071229 385272420 /nfs/dbraw/zinc/27/24/20/385272420.db2.gz VXORHTLUPYQIFE-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O ZINC000034217952 385276750 /nfs/dbraw/zinc/27/67/50/385276750.db2.gz AWLRFWWWKJXWTQ-VIFPVBQESA-N 0 0 231.336 2.307 50 0 BEAARN c1nc(CN2CCc3ccccc3C2)co1 ZINC000191055488 385280313 /nfs/dbraw/zinc/28/03/13/385280313.db2.gz OJQUCDWEHOAGOS-UHFFFAOYSA-N 0 0 214.268 2.233 50 0 BEAARN CC(=O)c1ccc(F)c(-c2cc[nH]n2)c1 ZINC000020859578 385283137 /nfs/dbraw/zinc/28/31/37/385283137.db2.gz WAFMSACCXLYBSD-UHFFFAOYSA-N 0 0 204.204 2.418 50 0 BEAARN COC(=O)c1ccc(-c2ccc(O)cn2)cc1 ZINC000065355916 385300045 /nfs/dbraw/zinc/30/00/45/385300045.db2.gz ADWZOMGKJJVKOT-UHFFFAOYSA-N 0 0 229.235 2.241 50 0 BEAARN Cc1cc(C)cc(-c2nnc(NC(N)=O)s2)c1 ZINC000131453619 385335742 /nfs/dbraw/zinc/33/57/42/385335742.db2.gz QZWUZIQOAUZTEM-UHFFFAOYSA-N 0 0 248.311 2.313 50 0 BEAARN c1ccc(Cc2noc([C@@H]3CCOC3)n2)cc1 ZINC000098010022 385356107 /nfs/dbraw/zinc/35/61/07/385356107.db2.gz GZLUEWYNFTVZHG-LLVKDONJSA-N 0 0 230.267 2.164 50 0 BEAARN Cc1noc(C)c1COc1c(C)nn(C)c1C ZINC000098019214 385358516 /nfs/dbraw/zinc/35/85/16/385358516.db2.gz IDRZKWQJQFLKEA-UHFFFAOYSA-N 0 0 235.287 2.221 50 0 BEAARN C1=CC[C@H](c2nc([C@@H]3CCOC3)no2)CC1 ZINC000098019211 385358555 /nfs/dbraw/zinc/35/85/55/385358555.db2.gz MZFGEGLAEUDSDJ-VHSXEESVSA-N 0 0 220.272 2.397 50 0 BEAARN CC(C)c1nc(CN2CCOCC2)cs1 ZINC000051151143 385406822 /nfs/dbraw/zinc/40/68/22/385406822.db2.gz NQPPENHEGDFETI-UHFFFAOYSA-N 0 0 226.345 2.099 50 0 BEAARN Cc1ccc(C)c(CC(=O)NC(C)C)c1 ZINC000020046204 385408546 /nfs/dbraw/zinc/40/85/46/385408546.db2.gz DBYGZOQLDBKSRF-UHFFFAOYSA-N 0 0 205.301 2.371 50 0 BEAARN O=C1CCc2ccc(cc2)CCC(=O)CC1 ZINC000169536478 385413465 /nfs/dbraw/zinc/41/34/65/385413465.db2.gz CPESJPCYVMFANU-UHFFFAOYSA-N 0 0 216.280 2.484 50 0 BEAARN O=Cc1cc(F)ccc1N1CCC(F)(F)C1 ZINC000169725256 385418208 /nfs/dbraw/zinc/41/82/08/385418208.db2.gz JBSSNHDUFUAFDU-UHFFFAOYSA-N 0 0 229.201 2.484 50 0 BEAARN Fc1ccc(N2CCC(F)(F)CC2)nc1 ZINC000169725456 385418432 /nfs/dbraw/zinc/41/84/32/385418432.db2.gz SQOGDSOBXBJOOI-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN Fc1cccnc1N1CCCC(F)(F)C1 ZINC000169725327 385418993 /nfs/dbraw/zinc/41/89/93/385418993.db2.gz MBHWSCGPEYPBOB-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN FC1(F)CN(c2ccncc2Br)C1 ZINC000169725515 385419192 /nfs/dbraw/zinc/41/91/92/385419192.db2.gz XPGGDQQYOIGAFT-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN CN(Cc1ccccc1F)C(=O)c1cccnc1 ZINC000012984578 385496734 /nfs/dbraw/zinc/49/67/34/385496734.db2.gz BNJDRFFVXHLQFV-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN O=C(c1cc(F)ccc1Cl)N1CCC1 ZINC000292634733 385512919 /nfs/dbraw/zinc/51/29/19/385512919.db2.gz FKNIUMBMLNMPDI-UHFFFAOYSA-N 0 0 213.639 2.325 50 0 BEAARN Cc1cnn(CC2CC2)c1NC(=O)[C@@H]1C[C@H]1C ZINC000069137059 385680006 /nfs/dbraw/zinc/68/00/06/385680006.db2.gz BHPRHTUNUBTSRF-LDYMZIIASA-N 0 0 233.315 2.196 50 0 BEAARN O=C([O-])CCC[N@@H+]1CCCc2ccccc2C1 ZINC000062944860 385684225 /nfs/dbraw/zinc/68/42/25/385684225.db2.gz YISQXBRBPDUECA-UHFFFAOYSA-N 0 0 233.311 2.300 50 0 BEAARN CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC1CC1 ZINC000052127963 385699358 /nfs/dbraw/zinc/69/93/58/385699358.db2.gz UIQLXZGPZMYQIP-ZDUSSCGKSA-N 0 0 238.375 2.119 50 0 BEAARN C[C@H](NC(=O)c1ccccc1F)[C@@H]1CCCO1 ZINC000001055483 385728732 /nfs/dbraw/zinc/72/87/32/385728732.db2.gz CHRIBTPEHXVHCO-CABZTGNLSA-N 0 0 237.274 2.123 50 0 BEAARN COC(=O)c1cccc2cc(N)ccc21 ZINC000031777157 385759759 /nfs/dbraw/zinc/75/97/59/385759759.db2.gz GILYDTHCTQTDBA-UHFFFAOYSA-N 0 0 201.225 2.209 50 0 BEAARN O=Cc1cccn1CC(=O)c1ccccc1 ZINC000257354937 385767047 /nfs/dbraw/zinc/76/70/47/385767047.db2.gz FYKNTVQRXPNYDG-UHFFFAOYSA-N 0 0 213.236 2.184 50 0 BEAARN Fc1ccc2c(CN3CCOCC3)c[nH]c2c1 ZINC000257893427 385773856 /nfs/dbraw/zinc/77/38/56/385773856.db2.gz AFZLZLNNAKRQDA-UHFFFAOYSA-N 0 0 234.274 2.139 50 0 BEAARN Cc1nnc(CN2CCn3cccc3[C@@H]2C)s1 ZINC000271452043 385829898 /nfs/dbraw/zinc/82/98/98/385829898.db2.gz RXHKWKXRBWQWCE-VIFPVBQESA-N 0 0 248.355 2.225 50 0 BEAARN COC(=O)c1cc(C=O)ccc1Br ZINC000159954604 385835675 /nfs/dbraw/zinc/83/56/75/385835675.db2.gz XQOANPCORUKMQY-UHFFFAOYSA-N 0 0 243.056 2.048 50 0 BEAARN Cn1cncc1CN1CCC[C@H]1c1nccs1 ZINC000215765446 385849970 /nfs/dbraw/zinc/84/99/70/385849970.db2.gz COOMBFXBDAPWFD-NSHDSACASA-N 0 0 248.355 2.214 50 0 BEAARN COC(=O)/C=C\C(=O)Nc1ccc(C(C)C)cc1 ZINC000005822341 385911984 /nfs/dbraw/zinc/91/19/84/385911984.db2.gz INKWZCNDICOZDM-HJWRWDBZSA-N 0 0 247.294 2.478 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(F)cc2F)n[nH]1 ZINC000006942679 385866192 /nfs/dbraw/zinc/86/61/92/385866192.db2.gz NBRFZBDDFDLDOT-UHFFFAOYSA-N 0 0 237.209 2.249 50 0 BEAARN O=C(c1c(F)cc(F)cc1F)N1CCCC1 ZINC000086997605 385979374 /nfs/dbraw/zinc/97/93/74/385979374.db2.gz NTNPLCIHRCPCLJ-UHFFFAOYSA-N 0 0 229.201 2.340 50 0 BEAARN Cc1noc(C)c1CCCNc1cnccn1 ZINC000032513802 385984117 /nfs/dbraw/zinc/98/41/17/385984117.db2.gz WVFAGTOKSWPUIW-UHFFFAOYSA-N 0 0 232.287 2.126 50 0 BEAARN CCO[C@H](C)c1nccn1Cc1nccs1 ZINC000095977993 386016149 /nfs/dbraw/zinc/01/61/49/386016149.db2.gz SYGZLUUGXSBBEO-SECBINFHSA-N 0 0 237.328 2.485 50 0 BEAARN C[C@H](NC(=O)/C=C\c1ccncn1)C(C)(C)C ZINC000222187750 386036288 /nfs/dbraw/zinc/03/62/88/386036288.db2.gz UXDMRENBORVVFP-OMMCCPJFSA-N 0 0 233.315 2.041 50 0 BEAARN O=C(Nc1nccs1)c1cn2ccccc2n1 ZINC000012548745 386040319 /nfs/dbraw/zinc/04/03/19/386040319.db2.gz AZKRMACHMNKWOA-UHFFFAOYSA-N 0 0 244.279 2.043 50 0 BEAARN CO[C@H](CNC(=O)c1ccccc1C)C(C)C ZINC000074018203 386107496 /nfs/dbraw/zinc/10/74/96/386107496.db2.gz FKXDPVSAEFMFBX-CYBMUJFWSA-N 0 0 235.327 2.396 50 0 BEAARN CC(C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000052841422 386118348 /nfs/dbraw/zinc/11/83/48/386118348.db2.gz GNHLDXWNNHQEJB-JTQLQIEISA-N 0 0 209.289 2.373 50 0 BEAARN O=C(Cc1ccccc1Cl)N1CC(CF)C1 ZINC000335207898 386074294 /nfs/dbraw/zinc/07/42/94/386074294.db2.gz AQYHOSREDGTPSA-UHFFFAOYSA-N 0 0 241.693 2.310 50 0 BEAARN CC(C)c1nc(CCNc2ncncn2)cs1 ZINC000223241415 386082717 /nfs/dbraw/zinc/08/27/17/386082717.db2.gz KJFSDQHSUIFPIV-UHFFFAOYSA-N 0 0 249.343 2.106 50 0 BEAARN CSC1(C(=O)Nc2ccc(F)cn2)CC1 ZINC000334450214 386088763 /nfs/dbraw/zinc/08/87/63/386088763.db2.gz SXUDBIWTWNOJJZ-UHFFFAOYSA-N 0 0 226.276 2.055 50 0 BEAARN Cc1cnc(CN2CCC[C@@H]2C(F)F)o1 ZINC000335315830 386170640 /nfs/dbraw/zinc/17/06/40/386170640.db2.gz YACVKOZYIAAVCR-MRVPVSSYSA-N 0 0 216.231 2.213 50 0 BEAARN Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2C)cc1CO ZINC000225554314 386201860 /nfs/dbraw/zinc/20/18/60/386201860.db2.gz GEZNZKRWCJUBFC-BXKDBHETSA-N 0 0 233.311 2.390 50 0 BEAARN C[C@@H]1C[C@@H]1c1nc(-c2cccnc2)no1 ZINC000225555424 386202300 /nfs/dbraw/zinc/20/23/00/386202300.db2.gz TVLITCPZOFCKOX-APPZFPTMSA-N 0 0 201.229 2.255 50 0 BEAARN CC(C)CCN1C(=S)S[C@H](NO)C1(C)C ZINC000001272598 386203029 /nfs/dbraw/zinc/20/30/29/386203029.db2.gz LBEPUIODXHRRTC-QMMMGPOBSA-N 0 0 248.417 2.450 50 0 BEAARN CC(C)[C@@H](c1ccccc1)N1C(=O)CN(C)C1=O ZINC000225555027 386203761 /nfs/dbraw/zinc/20/37/61/386203761.db2.gz IULOMYSKYVSXQM-ZDUSSCGKSA-N 0 0 246.310 2.278 50 0 BEAARN CC(C)=CCNC(=O)C1(O)CCC(C)CC1 ZINC000225668793 386210312 /nfs/dbraw/zinc/21/03/12/386210312.db2.gz LPUHDDJQSYQGER-UHFFFAOYSA-N 0 0 225.332 2.010 50 0 BEAARN CCc1cccc(C)c1NC(=O)N[C@@H](C)CO ZINC000040525489 386219368 /nfs/dbraw/zinc/21/93/68/386219368.db2.gz SSEBFDPRGGXPHA-JTQLQIEISA-N 0 0 236.315 2.060 50 0 BEAARN CNc1ccc(NC(=O)NCc2ccco2)cn1 ZINC000040549221 386221810 /nfs/dbraw/zinc/22/18/10/386221810.db2.gz KUEWPYNFLPQZEN-UHFFFAOYSA-N 0 0 246.270 2.038 50 0 BEAARN CC/C=C(\C)C(=O)N(C)Cc1cccnc1 ZINC000046041354 386240518 /nfs/dbraw/zinc/24/05/18/386240518.db2.gz IMGRLYPRDYUZHQ-IZZDOVSWSA-N 0 0 218.300 2.396 50 0 BEAARN CCOc1ccc(Cn2cnc(C)c2C)nc1 ZINC000225465847 386195532 /nfs/dbraw/zinc/19/55/32/386195532.db2.gz ULFWYZFPXYVKOO-UHFFFAOYSA-N 0 0 231.299 2.342 50 0 BEAARN CCONC(=O)[C@@H](CC)c1ccccc1 ZINC000044896883 386282585 /nfs/dbraw/zinc/28/25/85/386282585.db2.gz UBHPYGXIWXDHOK-NSHDSACASA-N 0 0 207.273 2.248 50 0 BEAARN O=C(c1cc(O)ccc1Cl)N1CCCC1 ZINC000236605017 386289343 /nfs/dbraw/zinc/28/93/43/386289343.db2.gz UGXDYNVDMLYCHL-UHFFFAOYSA-N 0 0 225.675 2.282 50 0 BEAARN CN(C)C(=O)NC1CCC(C(F)F)CC1 ZINC000334498035 386408019 /nfs/dbraw/zinc/40/80/19/386408019.db2.gz IRFFBTKSIUREKT-UHFFFAOYSA-N 0 0 220.263 2.082 50 0 BEAARN Clc1ncc2cc(Br)[nH]c2n1 ZINC000238571922 386506930 /nfs/dbraw/zinc/50/69/30/386506930.db2.gz LINGCYUTYXJAJX-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CS(=O)(=O)c1ccc(F)c2ccccc21 ZINC000004290609 386513181 /nfs/dbraw/zinc/51/31/81/386513181.db2.gz BFJDLILZBCRIPN-UHFFFAOYSA-N 0 0 224.256 2.382 50 0 BEAARN Cn1ccc2ccc(NCC3CC3)cc2c1=O ZINC000239654298 386541789 /nfs/dbraw/zinc/54/17/89/386541789.db2.gz BNHRVYFFFABTQK-UHFFFAOYSA-N 0 0 228.295 2.360 50 0 BEAARN Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000049669046 386646580 /nfs/dbraw/zinc/64/65/80/386646580.db2.gz WSYFGJAWQDWPAP-CYBMUJFWSA-N 0 0 233.311 2.352 50 0 BEAARN CN(Cc1ccc(F)cc1)C(=O)NC1CC1 ZINC000049126778 386653874 /nfs/dbraw/zinc/65/38/74/386653874.db2.gz YUKAYWIYWJHYCL-UHFFFAOYSA-N 0 0 222.263 2.130 50 0 BEAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1 ZINC000012408928 386617551 /nfs/dbraw/zinc/61/75/51/386617551.db2.gz RVTANKMKMMBUOZ-RYUDHWBXSA-N 0 0 229.279 2.366 50 0 BEAARN O[C@H]1C[C@@H](CNc2ccc(F)c(F)c2)C1 ZINC000335524155 386666339 /nfs/dbraw/zinc/66/63/39/386666339.db2.gz SGEQTQHNNLZQFJ-OTSSQURYSA-N 0 0 213.227 2.148 50 0 BEAARN Cn1cnc(CSCc2ccco2)c1 ZINC000585118772 386670504 /nfs/dbraw/zinc/67/05/04/386670504.db2.gz BDDDXVLBLWKIEP-UHFFFAOYSA-N 0 0 208.286 2.447 50 0 BEAARN CCOCCn1c2ccccc2nc1[C@@H](C)O ZINC000001926813 386701553 /nfs/dbraw/zinc/70/15/53/386701553.db2.gz ACYJPUHBPQAFNT-SNVBAGLBSA-N 0 0 234.299 2.126 50 0 BEAARN Nc1nc(Cl)cc(N[C@@H]2CCCSC2)n1 ZINC000075094116 386740839 /nfs/dbraw/zinc/74/08/39/386740839.db2.gz XXAPDWMMSYYSDU-ZCFIWIBFSA-N 0 0 244.751 2.020 50 0 BEAARN CCC(O)(CC)CNC(=O)Nc1ccccc1 ZINC000049516964 386730125 /nfs/dbraw/zinc/73/01/25/386730125.db2.gz ARONBQOWPWUJFX-UHFFFAOYSA-N 0 0 236.315 2.359 50 0 BEAARN Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)no1 ZINC000051996174 386805694 /nfs/dbraw/zinc/80/56/94/386805694.db2.gz YZNQZLISJYICKU-STQMWFEESA-N 0 0 236.315 2.126 50 0 BEAARN Cc1ccnc2c1CCC[C@H]2C(N)=S ZINC000004213613 386808747 /nfs/dbraw/zinc/80/87/47/386808747.db2.gz PWPWEYFVLITGNU-SECBINFHSA-N 0 0 206.314 2.096 50 0 in-man BEAARN C[C@H](NC(=O)c1cnccn1)c1ccccc1F ZINC000012900504 386861435 /nfs/dbraw/zinc/86/14/35/386861435.db2.gz NTHNZHKQSKKVQV-VIFPVBQESA-N 0 0 245.257 2.107 50 0 BEAARN CC(C)c1nnc2n1CCN(CC1CCCC1)C2 ZINC000075131657 386964832 /nfs/dbraw/zinc/96/48/32/386964832.db2.gz NHCXQBACIDEZRR-UHFFFAOYSA-N 0 0 248.374 2.407 50 0 BEAARN CC[C@@H](CO)Nc1nc2ccccc2s1 ZINC000035111877 387046154 /nfs/dbraw/zinc/04/61/54/387046154.db2.gz BGWKSVRBXJMGOF-QMMMGPOBSA-N 0 0 222.313 2.479 50 0 BEAARN CC(C)CC(=O)N1CC[C@@H](OCC2CC2)C1 ZINC000575414419 387013818 /nfs/dbraw/zinc/01/38/18/387013818.db2.gz JPQKJDRAZKVUNP-GFCCVEGCSA-N 0 0 225.332 2.060 50 0 BEAARN CN(Cc1ccnn1C)c1nc2ccccc2o1 ZINC000359893524 387014327 /nfs/dbraw/zinc/01/43/27/387014327.db2.gz ANZCWNXECCMMMC-UHFFFAOYSA-N 0 0 242.282 2.198 50 0 BEAARN CN(CCc1ccncc1)Cc1cscn1 ZINC000063590735 387028157 /nfs/dbraw/zinc/02/81/57/387028157.db2.gz YHPGBLKQTLNXEE-UHFFFAOYSA-N 0 0 233.340 2.213 50 0 BEAARN C[C@]12CCN(C(=O)C3=CCC3)C[C@H]1C2(F)F ZINC000336285198 387118421 /nfs/dbraw/zinc/11/84/21/387118421.db2.gz QUWIOFXFTHOUFP-KOLCDFICSA-N 0 0 227.254 2.210 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000032981941 387145301 /nfs/dbraw/zinc/14/53/01/387145301.db2.gz LCAGTUYVRBIWJP-ZYHUDNBSSA-N 0 0 203.285 2.267 50 0 BEAARN CSCC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000047895707 387150589 /nfs/dbraw/zinc/15/05/89/387150589.db2.gz LISAKXSGNVQKOL-UHFFFAOYSA-N 0 0 225.313 2.380 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccs1 ZINC000033000384 387171875 /nfs/dbraw/zinc/17/18/75/387171875.db2.gz KWTJHNWOGRMQMV-PSASIEDQSA-N 0 0 209.314 2.363 50 0 BEAARN O=C(c1cc[nH]n1)N1CCc2c1cccc2Cl ZINC000089800169 387186627 /nfs/dbraw/zinc/18/66/27/387186627.db2.gz MXUHFLGGQAKUFN-UHFFFAOYSA-N 0 0 247.685 2.266 50 0 BEAARN Cc1sccc1C(=O)NCC(F)F ZINC000295430966 387187001 /nfs/dbraw/zinc/18/70/01/387187001.db2.gz WOWFUFSRJSMZAV-UHFFFAOYSA-N 0 0 205.229 2.051 50 0 BEAARN Cc1cc(C(N)=O)c2cccc(Cl)c2n1 ZINC000064553205 387219508 /nfs/dbraw/zinc/21/95/08/387219508.db2.gz WNRORBRCPQODLC-UHFFFAOYSA-N 0 0 220.659 2.296 50 0 BEAARN Cc1nc(C(C)C)c(C(=O)N(C)C)s1 ZINC000064553107 387220229 /nfs/dbraw/zinc/22/02/29/387220229.db2.gz BSESKPRKQKYZEU-UHFFFAOYSA-N 0 0 212.318 2.277 50 0 BEAARN CCC1=NO[C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000064555299 387221312 /nfs/dbraw/zinc/22/13/12/387221312.db2.gz UFOLJWMYVJRQGX-LLVKDONJSA-N 0 0 236.246 2.319 50 0 BEAARN CO[C@H]1CCc2oc3ccccc3c(=O)c2C1 ZINC000001721982 387240147 /nfs/dbraw/zinc/24/01/47/387240147.db2.gz IRNILVBASYLHOO-VIFPVBQESA-N 0 0 230.263 2.297 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(O)c1 ZINC000033028972 387196536 /nfs/dbraw/zinc/19/65/36/387196536.db2.gz ROFVSPPLKSBBHZ-DTWKUNHWSA-N 0 0 205.257 2.295 50 0 BEAARN CC(C)CC(=O)Nc1nc2c(s1)COCC2 ZINC000075442852 387310925 /nfs/dbraw/zinc/31/09/25/387310925.db2.gz IJYNHKDCXQXTCS-UHFFFAOYSA-N 0 0 240.328 2.200 50 0 BEAARN C[C@@]1(F)CCCN(C(=O)Cc2ccco2)C1 ZINC000295500956 387255584 /nfs/dbraw/zinc/25/55/84/387255584.db2.gz KENVKWNJIXKYKB-GFCCVEGCSA-N 0 0 225.263 2.173 50 0 BEAARN COC(=O)[C@@]1(Cl)CC[C@H](C(C)C)CC1=O ZINC000043762923 387274200 /nfs/dbraw/zinc/27/42/00/387274200.db2.gz APBKSLQPKAMQRN-GZMMTYOYSA-N 0 0 232.707 2.162 50 0 BEAARN CN1CCN(C(=O)c2ccccc2)[C@@H]1C(C)(C)C ZINC000043763624 387274229 /nfs/dbraw/zinc/27/42/29/387274229.db2.gz KPUNHRHMNDJFPQ-CQSZACIVSA-N 0 0 246.354 2.446 50 0 BEAARN C[C@@H]1Nc2ncccc2N[C@@H]2CCCC(=O)[C@@H]21 ZINC000045027515 387274241 /nfs/dbraw/zinc/27/42/41/387274241.db2.gz YTKGZSXXSXNMIT-YGOYTEALSA-N 0 0 231.299 2.045 50 0 BEAARN COC(=O)C[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000043763584 387274665 /nfs/dbraw/zinc/27/46/65/387274665.db2.gz XFRLFRPTBXCAEB-DGCLKSJQSA-N 0 0 236.267 2.054 50 0 BEAARN CC(C)(O)[C@@H]1CC(C)(C)CCC12OCCO2 ZINC000045071324 387276465 /nfs/dbraw/zinc/27/64/65/387276465.db2.gz CZEBIEIESWVPFA-JTQLQIEISA-N 0 0 228.332 2.327 50 0 BEAARN Fc1ccc2c(c1)OCCN2Cc1cncnc1 ZINC000191967825 387280695 /nfs/dbraw/zinc/28/06/95/387280695.db2.gz SPRHTYRJYIBTCQ-UHFFFAOYSA-N 0 0 245.257 2.015 50 0 BEAARN O=S1(=O)C[C@@H]2CC=CC[C@]2(c2ccccc2)C1 ZINC000071786055 387288111 /nfs/dbraw/zinc/28/81/11/387288111.db2.gz JWPBPUGOPXPABO-UONOGXRCSA-N 0 0 248.347 2.319 50 0 BEAARN CC(C)(C)OC(=O)N1CC2(CCS2)C1 ZINC000095628881 387290761 /nfs/dbraw/zinc/29/07/61/387290761.db2.gz RMCMFZVMTSLHBT-UHFFFAOYSA-N 0 0 215.318 2.113 50 0 BEAARN CCCCCS(=O)(=O)c1cccc(O)c1 ZINC000191058922 387300626 /nfs/dbraw/zinc/30/06/26/387300626.db2.gz UQPCHNBEMKLMKT-UHFFFAOYSA-N 0 0 228.313 2.356 50 0 BEAARN CC(C)(C)C(=O)OCSC1CCOCC1 ZINC000191210849 387354251 /nfs/dbraw/zinc/35/42/51/387354251.db2.gz TWZAEPXTHNUJDW-UHFFFAOYSA-N 0 0 232.345 2.445 50 0 BEAARN O=C(CCc1ccccc1)Nc1cnns1 ZINC000191280491 387369428 /nfs/dbraw/zinc/36/94/28/387369428.db2.gz BEIRCRAPAQFYIY-UHFFFAOYSA-N 0 0 233.296 2.109 50 0 BEAARN c1c(COc2ccccn2)nc2ccccn12 ZINC000075250136 387372555 /nfs/dbraw/zinc/37/25/55/387372555.db2.gz DETZSBXMJDCBHE-UHFFFAOYSA-N 0 0 225.251 2.308 50 0 BEAARN Clc1cnc(S[C@@H]2CCOC2)nc1 ZINC000306262824 387382369 /nfs/dbraw/zinc/38/23/69/387382369.db2.gz XXSVPNVVJZLXNS-SSDOTTSWSA-N 0 0 216.693 2.011 50 0 BEAARN Clc1snnc1CSc1ncc[nH]1 ZINC000078989231 387336494 /nfs/dbraw/zinc/33/64/94/387336494.db2.gz INSXBULQWGTKKP-UHFFFAOYSA-N 0 0 232.721 2.207 50 0 BEAARN c1ccc([C@H]2OC[C@H]3OC=CC[C@H]3O2)cc1 ZINC000257359378 387337755 /nfs/dbraw/zinc/33/77/55/387337755.db2.gz ZWTPHMOGEFPPBJ-UPJWGTAASA-N 0 0 218.252 2.403 50 0 BEAARN CCCCC[S@](=O)C1CCOCC1 ZINC000191199472 387353778 /nfs/dbraw/zinc/35/37/78/387353778.db2.gz RVLHPPKFGNZGLQ-ZDUSSCGKSA-N 0 0 204.335 2.104 50 0 BEAARN Cc1noc2ncc(C(=O)NC3(C)CCC3)cc12 ZINC000089568246 387353999 /nfs/dbraw/zinc/35/39/99/387353999.db2.gz WPKLKILNZIVJES-UHFFFAOYSA-N 0 0 245.282 2.204 50 0 BEAARN C/C=C/CCNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC000073726561 387444475 /nfs/dbraw/zinc/44/44/75/387444475.db2.gz FTRNHXYITFKIOM-PORFMDCZSA-N 0 0 249.358 2.288 50 0 BEAARN C[C@H](Cc1ccoc1)NC(=O)c1ccoc1 ZINC000084835333 387454950 /nfs/dbraw/zinc/45/49/50/387454950.db2.gz BDURHRXQEMKCKT-SECBINFHSA-N 0 0 219.240 2.234 50 0 BEAARN CN(Cc1ccc(F)cc1)C(=O)c1cccn1C ZINC000012985643 387386389 /nfs/dbraw/zinc/38/63/89/387386389.db2.gz MTFNELINJFNIGJ-UHFFFAOYSA-N 0 0 246.285 2.436 50 0 BEAARN Cc1ccc(C(=O)NCc2cccs2)cn1 ZINC000012989359 387387663 /nfs/dbraw/zinc/38/76/63/387387663.db2.gz ADRPTIYOKXUGTD-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Fc1ccc(-c2cn(C3CCOCC3)nn2)cc1 ZINC000575606878 387393398 /nfs/dbraw/zinc/39/33/98/387393398.db2.gz UVIBBKGKIZDMEX-UHFFFAOYSA-N 0 0 247.273 2.436 50 0 BEAARN CC(=O)NCc1ccc(-c2ccco2)o1 ZINC000575607174 387394659 /nfs/dbraw/zinc/39/46/59/387394659.db2.gz YCYFAYXSRVYDQD-UHFFFAOYSA-N 0 0 205.213 2.176 50 0 BEAARN COC(=O)CCc1csc(-c2ccncc2)n1 ZINC000049836255 387422460 /nfs/dbraw/zinc/42/24/60/387422460.db2.gz UJEDTTRQSGTMIU-UHFFFAOYSA-N 0 0 248.307 2.311 50 0 BEAARN CSC1=NC[C@@H](C)[C@@H](O)N1c1ccccc1 ZINC000005355982 387497407 /nfs/dbraw/zinc/49/74/07/387497407.db2.gz JFYHSGINBJLCFM-MWLCHTKSSA-N 0 0 236.340 2.180 50 0 BEAARN CSC1=NC[C@@H](C)[C@H](O)N1c1ccccc1 ZINC000005355987 387497694 /nfs/dbraw/zinc/49/76/94/387497694.db2.gz JFYHSGINBJLCFM-KOLCDFICSA-N 0 0 236.340 2.180 50 0 BEAARN Cc1ccc(CC(=O)N[C@@H](C)C2CC2)cc1O ZINC000089434074 387514786 /nfs/dbraw/zinc/51/47/86/387514786.db2.gz WNQKTPVMDAXQDD-JTQLQIEISA-N 0 0 233.311 2.158 50 0 BEAARN Cc1oc(C)c(C(=O)N2CCO[C@H](C)C2)c1C ZINC000032873787 387515496 /nfs/dbraw/zinc/51/54/96/387515496.db2.gz KATCEKFJPLVTQJ-MRVPVSSYSA-N 0 0 237.299 2.066 50 0 BEAARN Cc1cc(N(C)[C@@H](C)C2CC2)nc(C)n1 ZINC000032769942 387466150 /nfs/dbraw/zinc/46/61/50/387466150.db2.gz GKARLKMBOMAUNQ-VIFPVBQESA-N 0 0 205.305 2.328 50 0 BEAARN Cc1cc(C(=O)N2Cc3ccccc3C2)no1 ZINC000105980289 387477336 /nfs/dbraw/zinc/47/73/36/387477336.db2.gz AOMLEVFZELHVAT-UHFFFAOYSA-N 0 0 228.251 2.139 50 0 BEAARN COC(=O)c1cc(OC)c2cccc(OC)c2n1 ZINC000117185189 387483737 /nfs/dbraw/zinc/48/37/37/387483737.db2.gz OKNSSRWVFHWDAP-UHFFFAOYSA-N 0 0 247.250 2.039 50 0 BEAARN CC(C)CCNC(=O)Cc1c[nH]c2ncccc12 ZINC000075495231 387488838 /nfs/dbraw/zinc/48/88/38/387488838.db2.gz MQGDBZJWROYSQN-UHFFFAOYSA-N 0 0 245.326 2.268 50 0 BEAARN Cc1occc1C(=O)N1CCC=C(F)C1 ZINC000336440560 387492436 /nfs/dbraw/zinc/49/24/36/387492436.db2.gz BZQDAJTURFWGBP-UHFFFAOYSA-N 0 0 209.220 2.287 50 0 BEAARN CC1(C)C[C@@H]1C(=O)NCc1cnc2c(c1)CCC2 ZINC000426544300 387580350 /nfs/dbraw/zinc/58/03/50/387580350.db2.gz DSOVBSRWHMJOKD-GFCCVEGCSA-N 0 0 244.338 2.233 50 0 BEAARN CC(C)Nc1ccc(-c2ccnn2C(C)C)nn1 ZINC000426580613 387581313 /nfs/dbraw/zinc/58/13/13/387581313.db2.gz AHFUNHHCICMSRF-UHFFFAOYSA-N 0 0 245.330 2.163 50 0 BEAARN CC[C@H](C)CNC(=O)N1CC(c2ccccn2)C1 ZINC000426633938 387582101 /nfs/dbraw/zinc/58/21/01/387582101.db2.gz NGNOBFRTAPKYNR-NSHDSACASA-N 0 0 247.342 2.237 50 0 BEAARN O=C(NCc1ccoc1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000426615160 387583239 /nfs/dbraw/zinc/58/32/39/387583239.db2.gz NRYYDMMCLBGEAV-NJZULAAPSA-N 0 0 231.295 2.188 50 0 BEAARN CCCC[C@@H]1C[C@@H]1C(=O)NCCCc1ncc[nH]1 ZINC000426368308 387561399 /nfs/dbraw/zinc/56/13/99/387561399.db2.gz MSHNHGXTOWDXNR-NEPJUHHUSA-N 0 0 249.358 2.285 50 0 BEAARN COc1cc(C=CC2CCCCC2)nc(N)n1 ZINC000426404149 387565346 /nfs/dbraw/zinc/56/53/46/387565346.db2.gz FBLFIGWPLVPBEF-BQYQJAHWSA-N 0 0 233.315 2.491 50 0 BEAARN Cc1nc(N)nc(-c2cccc(O)c2)c1Cl ZINC000426415304 387567130 /nfs/dbraw/zinc/56/71/30/387567130.db2.gz IIKVICWTABEOMA-UHFFFAOYSA-N 0 0 235.674 2.224 50 0 BEAARN CCCn1nccc1-c1ncnc2[nH]ccc21 ZINC000426410771 387567420 /nfs/dbraw/zinc/56/74/20/387567420.db2.gz XUWIFZBQEBNWTD-UHFFFAOYSA-N 0 0 227.271 2.183 50 0 BEAARN COc1ncccc1-c1cnc(N)c(Cl)c1 ZINC000426488103 387574322 /nfs/dbraw/zinc/57/43/22/387574322.db2.gz CZUUYDZYJUUVHM-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN CCc1nc(-c2c(OC)cc(C)cc2OC)n[nH]1 ZINC000426478715 387574883 /nfs/dbraw/zinc/57/48/83/387574883.db2.gz JKHWMMYUPABNDB-UHFFFAOYSA-N 0 0 247.298 2.360 50 0 BEAARN Cc1nnc(CN(C)C(=O)CCC(C)(C)C)o1 ZINC000426496602 387577216 /nfs/dbraw/zinc/57/72/16/387577216.db2.gz ACRDNXXDALFGND-UHFFFAOYSA-N 0 0 239.319 2.163 50 0 BEAARN Cc1noc([C@H](C)N2CCc3ccccc3C2)n1 ZINC000042651694 387633797 /nfs/dbraw/zinc/63/37/97/387633797.db2.gz TUFZBPOGGCBNHK-JTQLQIEISA-N 0 0 243.310 2.497 50 0 BEAARN Clc1cc(Br)cc2n[nH]nc21 ZINC000216911407 387645953 /nfs/dbraw/zinc/64/59/53/387645953.db2.gz XXCBCTVHHOTXRL-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Cc1conc1NC(=O)c1cccc(F)c1 ZINC000123328736 387683813 /nfs/dbraw/zinc/68/38/13/387683813.db2.gz YRNMWMSTYCTVDW-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1cc(C)cc(N[C@@H]2C=CS(=O)(=O)C2)c1 ZINC000004930419 177909567 /nfs/dbraw/zinc/90/95/67/177909567.db2.gz OYZGGWJYDJWIFJ-LLVKDONJSA-N 0 0 237.324 2.026 50 0 BEAARN CN(Cc1ccncc1)C(=O)c1cccs1 ZINC000046045552 387735808 /nfs/dbraw/zinc/73/58/08/387735808.db2.gz GZLYOQYJIFMYSA-UHFFFAOYSA-N 0 0 232.308 2.415 50 0 BEAARN CCOP(=O)(OCC)[C@H](O)c1cccnc1 ZINC000001786976 387783079 /nfs/dbraw/zinc/78/30/79/387783079.db2.gz MZSVJEVPARITDB-JTQLQIEISA-N 0 0 245.215 2.339 50 0 BEAARN Cc1nc(C)c(C(=O)NCC(F)(F)F)s1 ZINC000053495256 387798991 /nfs/dbraw/zinc/79/89/91/387798991.db2.gz MEWGFVUHBDHGRS-UHFFFAOYSA-N 0 0 238.234 2.052 50 0 BEAARN CS(=O)(=O)c1c(Cl)cccc1Cl ZINC000002511101 387849101 /nfs/dbraw/zinc/84/91/01/387849101.db2.gz ZBLWCNSYUFZBLM-UHFFFAOYSA-N 0 0 225.096 2.397 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1occc1C ZINC000190722259 387867749 /nfs/dbraw/zinc/86/77/49/387867749.db2.gz YGMORADEPXXBPP-SECBINFHSA-N 0 0 212.245 2.170 50 0 BEAARN Cc1cc(C)c(S(=O)(=O)NC2CC2)cc1C ZINC000028577466 177871022 /nfs/dbraw/zinc/87/10/22/177871022.db2.gz ZQNOYPSXDNGVIL-UHFFFAOYSA-N 0 0 239.340 2.053 50 0 BEAARN CCOC[C@H](C)OC(=O)c1cc(C)oc1C ZINC000190768980 387870545 /nfs/dbraw/zinc/87/05/45/387870545.db2.gz RHSXZYVNOCERRI-VIFPVBQESA-N 0 0 226.272 2.478 50 0 BEAARN CCOC[C@H](C)OC(=O)c1csnc1C ZINC000190782107 387872293 /nfs/dbraw/zinc/87/22/93/387872293.db2.gz NWHMNKGOSNRJHZ-ZETCQYMHSA-N 0 0 229.301 2.033 50 0 BEAARN CSCC(=O)Nc1ccc(N(C)C)cc1 ZINC000006784543 387896147 /nfs/dbraw/zinc/89/61/47/387896147.db2.gz ZXGOMOPAQHREBK-UHFFFAOYSA-N 0 0 224.329 2.054 50 0 BEAARN Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2C)cc1CO ZINC000225554347 177866509 /nfs/dbraw/zinc/86/65/09/177866509.db2.gz GEZNZKRWCJUBFC-SKDRFNHKSA-N 0 0 233.311 2.390 50 0 BEAARN Clc1nc(Br)cc2nc[nH]c21 ZINC000222128445 387932147 /nfs/dbraw/zinc/93/21/47/387932147.db2.gz BKEMPCSUWXUOMM-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CNc1ccc(-c2cccc(CCOC)c2)cn1 ZINC000521398313 387921737 /nfs/dbraw/zinc/92/17/37/387921737.db2.gz HDERHWOVHGYCHW-UHFFFAOYSA-N 0 0 242.322 2.401 50 0 BEAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]cn1 ZINC000241644221 387937099 /nfs/dbraw/zinc/93/70/99/387937099.db2.gz PPIAKDORZGKLCZ-CKYFFXLPSA-N 0 0 233.315 2.203 50 0 BEAARN CCC[C@@H](O)CNC(=O)Nc1ccc(C)s1 ZINC000075416768 387953909 /nfs/dbraw/zinc/95/39/09/387953909.db2.gz TWKAQDQECIRTHS-SECBINFHSA-N 0 0 242.344 2.339 50 0 BEAARN Cc1cc(C(=O)O[C@@H](C)Cn2cccn2)c(C)o1 ZINC000083795874 177825979 /nfs/dbraw/zinc/82/59/79/177825979.db2.gz PSJALWTVTDGDHH-JTQLQIEISA-N 0 0 248.282 2.338 50 0 BEAARN CCCCCCN1CC[S@](=O)[C@H](C)[C@H]1C ZINC000225232108 387941667 /nfs/dbraw/zinc/94/16/67/387941667.db2.gz JLWBFAJMRNRYPI-JMSVASOKSA-N 0 0 231.405 2.408 50 0 BEAARN CCCCOC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000001816349 387947124 /nfs/dbraw/zinc/94/71/24/387947124.db2.gz SOACZEKLCAOMDI-LBPRGKRZSA-N 0 0 248.278 2.111 50 0 BEAARN Cc1cc(C(=O)NCc2cccnc2)c(C)o1 ZINC000021703309 177794377 /nfs/dbraw/zinc/79/43/77/177794377.db2.gz MTGXORXTAUVANA-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN O=C(Nc1ccccc1)c1cncc(O)c1 ZINC000082320617 388027274 /nfs/dbraw/zinc/02/72/74/388027274.db2.gz VREKDCJXJGFPKE-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN CC(=O)c1ccc(NC(=O)c2ccno2)cc1 ZINC000010254034 388107648 /nfs/dbraw/zinc/10/76/48/388107648.db2.gz BFFLSNBCLNYOSO-UHFFFAOYSA-N 0 0 230.223 2.130 50 0 BEAARN CCc1cccc(C)c1NC(=S)NC ZINC000013788989 388175899 /nfs/dbraw/zinc/17/58/99/388175899.db2.gz AIQYDTXNWSJHNR-UHFFFAOYSA-N 0 0 208.330 2.474 50 0 BEAARN CC(C)(C)CNC(=O)c1ccc2c(c1)OCO2 ZINC000071823392 388117350 /nfs/dbraw/zinc/11/73/50/388117350.db2.gz XQOUFYHFKYDHHI-UHFFFAOYSA-N 0 0 235.283 2.191 50 0 BEAARN COc1ccc([C@H](C)NC(=O)C2CC2)cc1F ZINC000007076290 388255859 /nfs/dbraw/zinc/25/58/59/388255859.db2.gz SYGXWJBLZQSADD-QMMMGPOBSA-N 0 0 237.274 2.422 50 0 BEAARN c1nc2c(c(N3CCCCCC3)n1)CCC2 ZINC000065288101 388255888 /nfs/dbraw/zinc/25/58/88/388255888.db2.gz UGVQCUMFXCTZTM-UHFFFAOYSA-N 0 0 217.316 2.346 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000016603717 177769304 /nfs/dbraw/zinc/76/93/04/177769304.db2.gz UEJNWZVOWFRQFW-RKDXNWHRSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1cc(C(=O)N2CCc3ccccc32)on1 ZINC000036562100 177766835 /nfs/dbraw/zinc/76/68/35/177766835.db2.gz ZKCDORUOQGKCHZ-UHFFFAOYSA-N 0 0 228.251 2.186 50 0 BEAARN Cc1cc(C(=O)N2CCO[C@H](C)C2)sc1C ZINC000044892773 177760284 /nfs/dbraw/zinc/76/02/84/177760284.db2.gz GUZGQCPMQBYTEA-SECBINFHSA-N 0 0 239.340 2.226 50 0 BEAARN O=C(Nc1nccs1)c1ccc(Cl)nc1 ZINC000002622535 388345814 /nfs/dbraw/zinc/34/58/14/388345814.db2.gz XZDLQEKOMAGVDT-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2)cc1 ZINC000028574053 388347456 /nfs/dbraw/zinc/34/74/56/388347456.db2.gz XDXCTDRMTKDFPF-LLVKDONJSA-N 0 0 243.310 2.220 50 0 BEAARN FC1(F)CC(Nc2ncnc3[nH]ccc32)C1 ZINC000277255943 388353772 /nfs/dbraw/zinc/35/37/72/388353772.db2.gz WDMCBAIHGUAIFX-UHFFFAOYSA-N 0 0 224.214 2.168 50 0 BEAARN Cc1ccc(C(=O)N=c2sccn2C)cc1C ZINC000254735516 388354090 /nfs/dbraw/zinc/35/40/90/388354090.db2.gz JGWXWJYCBSZHRO-UHFFFAOYSA-N 0 0 246.335 2.445 50 0 BEAARN CC[C@@H]1CN(CCCO)c2ccccc2O1 ZINC000075840288 388357088 /nfs/dbraw/zinc/35/70/88/388357088.db2.gz LVSMDFFWHYQCJY-LLVKDONJSA-N 0 0 221.300 2.046 50 0 BEAARN C[C@H](NC(=O)c1cnc2ccccc2n1)C1CC1 ZINC000008429781 388404940 /nfs/dbraw/zinc/40/49/40/388404940.db2.gz UNQXBDVUVWZRPV-VIFPVBQESA-N 0 0 241.294 2.158 50 0 BEAARN Cc1nnc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000230128816 388361456 /nfs/dbraw/zinc/36/14/56/388361456.db2.gz DMIAOYAOPPJHRG-AEJSXWLSSA-N 0 0 239.344 2.216 50 0 BEAARN COc1ncnc(SCc2ccccc2)c1N ZINC000003107669 388364596 /nfs/dbraw/zinc/36/45/96/388364596.db2.gz DVNKLHBMJQCLER-UHFFFAOYSA-N 0 0 247.323 2.360 50 0 BEAARN CCN(C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000162918123 388365596 /nfs/dbraw/zinc/36/55/96/388365596.db2.gz NRKZYQUHQQDQPT-UHFFFAOYSA-N 0 0 226.251 2.318 50 0 BEAARN CC(C)(C)c1nccc(N2CCCC[C@@H]2CO)n1 ZINC000089761525 388366913 /nfs/dbraw/zinc/36/69/13/388366913.db2.gz AHLDVJNKCABJRR-LLVKDONJSA-N 0 0 249.358 2.125 50 0 BEAARN Cn1c2ccc(N)cc2nc1-c1ccc[nH]1 ZINC000252493701 388371918 /nfs/dbraw/zinc/37/19/18/388371918.db2.gz NFGVUDBFDJCXAB-UHFFFAOYSA-N 0 0 212.256 2.151 50 0 BEAARN CCCCOCC(=O)Nc1ccc(O)cc1C ZINC000076084410 388373829 /nfs/dbraw/zinc/37/38/29/388373829.db2.gz QPCZKQFOPMDBHQ-UHFFFAOYSA-N 0 0 237.299 2.456 50 0 BEAARN CO[C@@H](C)CCOC(=O)c1cc(C(C)C)[nH]n1 ZINC000076091096 388374562 /nfs/dbraw/zinc/37/45/62/388374562.db2.gz FZOWHLRDZLUIKF-VIFPVBQESA-N 0 0 240.303 2.115 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)C12CCC2 ZINC000089985644 388379208 /nfs/dbraw/zinc/37/92/08/388379208.db2.gz CVVAMTQYUTUXCD-WHOHXGKFSA-N 0 0 237.343 2.106 50 0 BEAARN Cc1noc([C@@H]2CCCCN2CC(F)(F)F)n1 ZINC000067350479 388406220 /nfs/dbraw/zinc/40/62/20/388406220.db2.gz IAUANWLQBMLWFH-QMMMGPOBSA-N 0 0 249.236 2.467 50 0 BEAARN CCCc1nnc(S[C@H]2CCCCC2=O)[nH]1 ZINC000031794954 388390052 /nfs/dbraw/zinc/39/00/52/388390052.db2.gz LTIJMDIAKGKLCE-VIFPVBQESA-N 0 0 239.344 2.361 50 0 BEAARN O=C(Nc1nnc(-c2ccco2)o1)c1ccco1 ZINC000004107269 388391363 /nfs/dbraw/zinc/39/13/63/388391363.db2.gz OCJGMHLLDIPCMP-UHFFFAOYSA-N 0 0 245.194 2.175 50 0 BEAARN C[C@H]1c2ccccc2CC[N@H+]1CCCC(=O)[O-] ZINC000172094774 388406923 /nfs/dbraw/zinc/40/69/23/388406923.db2.gz FXMDJYFKWRVRGE-NSHDSACASA-N 0 0 233.311 2.471 50 0 BEAARN C[C@H](NC(=O)c1ccccc1F)C1CC1 ZINC000008329179 388403586 /nfs/dbraw/zinc/40/35/86/388403586.db2.gz LJDQWKMBLDEPFP-QMMMGPOBSA-N 0 0 207.248 2.354 50 0 BEAARN CSCC(=O)Nc1ccc(Cl)cn1 ZINC000041818152 388440069 /nfs/dbraw/zinc/44/00/69/388440069.db2.gz HLCXARFIRMDBLY-UHFFFAOYSA-N 0 0 216.693 2.037 50 0 BEAARN Cc1noc([C@@H](C)N(C)Cc2ccco2)n1 ZINC000042651852 388444562 /nfs/dbraw/zinc/44/45/62/388444562.db2.gz QZUIBYUYKSMMGO-MRVPVSSYSA-N 0 0 221.260 2.164 50 0 BEAARN Cc1noc([C@@H](C)N2CCC(C)CC2)n1 ZINC000042651748 388444586 /nfs/dbraw/zinc/44/45/86/388444586.db2.gz ZERXJHKDDKNDOB-SECBINFHSA-N 0 0 209.293 2.171 50 0 BEAARN CC(C)(C)CCCCNC(=O)[C@@H]1CCCO1 ZINC000071847588 388446682 /nfs/dbraw/zinc/44/66/82/388446682.db2.gz XYDWZNKDPUQNAH-NSHDSACASA-N 0 0 227.348 2.498 50 0 BEAARN C[C@H](CCN(C)Cc1nc[nH]n1)c1ccccc1 ZINC000193980800 388474049 /nfs/dbraw/zinc/47/40/49/388474049.db2.gz DOVNWRGDAYRAID-GFCCVEGCSA-N 0 0 244.342 2.430 50 0 BEAARN Cc1cc(C(=O)N2CCCCCCC2)no1 ZINC000006741012 177751920 /nfs/dbraw/zinc/75/19/20/177751920.db2.gz OVSHTAICHCDOQO-UHFFFAOYSA-N 0 0 222.288 2.389 50 0 BEAARN C[Si](C)(C)Cn1cnc2sccc2c1=O ZINC000195530064 388478874 /nfs/dbraw/zinc/47/88/74/388478874.db2.gz PTHNBTBMWBXYLL-UHFFFAOYSA-N 0 0 238.388 2.335 50 0 BEAARN COC(=O)c1ccccc1NC(=O)C1CCC1 ZINC000008987133 388412532 /nfs/dbraw/zinc/41/25/32/388412532.db2.gz FQALOQUYCBJZQF-UHFFFAOYSA-N 0 0 233.267 2.212 50 0 BEAARN CCCCC[C@H](C)NC(=O)[C@@H]1CCOC1 ZINC000069314091 388414456 /nfs/dbraw/zinc/41/44/56/388414456.db2.gz SRRBAGXXJFANTJ-WDEREUQCSA-N 0 0 213.321 2.108 50 0 BEAARN O=C(CCNc1ccccc1)NCC(F)(F)F ZINC000069439443 388416882 /nfs/dbraw/zinc/41/68/82/388416882.db2.gz GAYSTAMMFFZXKT-UHFFFAOYSA-N 0 0 246.232 2.167 50 0 BEAARN COCCCNC(=O)CCCc1cccs1 ZINC000040459479 388416998 /nfs/dbraw/zinc/41/69/98/388416998.db2.gz IZOGPHJLTKNFCK-UHFFFAOYSA-N 0 0 241.356 2.224 50 0 BEAARN O=C(CC(F)(F)F)NCCc1ccc(F)cc1 ZINC000040490334 388417913 /nfs/dbraw/zinc/41/79/13/388417913.db2.gz UVFRCRVARILIPD-UHFFFAOYSA-N 0 0 249.207 2.437 50 0 BEAARN O=C(CC(F)(F)F)NCc1ccc(F)cc1 ZINC000040490335 388418006 /nfs/dbraw/zinc/41/80/06/388418006.db2.gz DTAQXYKOAHJZNH-UHFFFAOYSA-N 0 0 235.180 2.394 50 0 BEAARN C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccncc1 ZINC000040506287 388419138 /nfs/dbraw/zinc/41/91/38/388419138.db2.gz IEMOBKHSBXHKPK-DGCLKSJQSA-N 0 0 248.326 2.218 50 0 BEAARN Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(C)on2)c1 ZINC000069562770 388420464 /nfs/dbraw/zinc/42/04/64/388420464.db2.gz BSHOAKYEHIVCMS-NEPJUHHUSA-N 0 0 248.330 2.227 50 0 BEAARN CC(=O)c1cccc(NC(=O)NCC2CC2)c1 ZINC000040525776 388420661 /nfs/dbraw/zinc/42/06/61/388420661.db2.gz RRAJUBVJCDLQJV-UHFFFAOYSA-N 0 0 232.283 2.421 50 0 BEAARN Cc1cnn(CCNc2nc3ccccc3o2)c1 ZINC000069743821 388426068 /nfs/dbraw/zinc/42/60/68/388426068.db2.gz PCHBZVCGQKESSJ-UHFFFAOYSA-N 0 0 242.282 2.445 50 0 BEAARN Cc1cc(C(=O)N2CCC(C)CC2)ccc1N ZINC000020195103 177749111 /nfs/dbraw/zinc/74/91/11/177749111.db2.gz ZMYYRHIGHWVZEW-UHFFFAOYSA-N 0 0 232.327 2.449 50 0 BEAARN CCCCN1C(=O)c2ccccc2[C@H]1NC(C)=O ZINC000009434470 388434941 /nfs/dbraw/zinc/43/49/41/388434941.db2.gz GGTUHFQHBYNASC-ZDUSSCGKSA-N 0 0 246.310 2.077 50 0 BEAARN Cc1cc(C(=O)N(C)Cc2ccsc2)on1 ZINC000040464706 177740379 /nfs/dbraw/zinc/74/03/79/177740379.db2.gz RFLSJADZZMCFAN-UHFFFAOYSA-N 0 0 236.296 2.317 50 0 BEAARN Cc1ccc(NC(=O)NCc2cn[nH]c2)cc1C ZINC000253430592 388592792 /nfs/dbraw/zinc/59/27/92/388592792.db2.gz NCAVWRJQMNAINK-UHFFFAOYSA-N 0 0 244.298 2.348 50 0 BEAARN CCCn1cc(NC[C@@H]2CCSC2)cn1 ZINC000225611310 388594316 /nfs/dbraw/zinc/59/43/16/388594316.db2.gz LWZVKAJKEQJQAI-JTQLQIEISA-N 0 0 225.361 2.458 50 0 BEAARN CO[C@]1([Si](C)(C)C)CCCC[C@H]1O ZINC000195798192 388598572 /nfs/dbraw/zinc/59/85/72/388598572.db2.gz JOSYMWZCBQOYPQ-ZJUUUORDSA-N 0 0 202.370 2.184 50 0 BEAARN C[C@@H]1C[C@@H](C(=O)NCc2ccco2)C[C@H](C)O1 ZINC000245701587 388599644 /nfs/dbraw/zinc/59/96/44/388599644.db2.gz DFVGVVYPUZSASE-JGPRNRPPSA-N 0 0 237.299 2.099 50 0 BEAARN Cc1cc(=O)oc2c1C(=O)CC(C)(C)C2 ZINC000000085202 177721428 /nfs/dbraw/zinc/72/14/28/177721428.db2.gz HJUGCIXWIAMGBH-UHFFFAOYSA-N 0 0 206.241 2.103 50 0 BEAARN CN(C[C@H]1CCOC1)c1ccncc1Cl ZINC000170654199 388683088 /nfs/dbraw/zinc/68/30/88/388683088.db2.gz NCRYGHSBJWPRTR-SECBINFHSA-N 0 0 226.707 2.208 50 0 BEAARN CCN(C(=O)[C@H]1CC1(C)C)c1cccnc1 ZINC000123129162 388625490 /nfs/dbraw/zinc/62/54/90/388625490.db2.gz AUIQCLRQCYNQLF-LLVKDONJSA-N 0 0 218.300 2.481 50 0 BEAARN FC(F)(F)c1[nH]nc2nc(Cl)ncc21 ZINC000085221792 388684335 /nfs/dbraw/zinc/68/43/35/388684335.db2.gz RCFCMWHDZCRZLY-UHFFFAOYSA-N 0 0 222.557 2.025 50 0 BEAARN CN(Cc1ccc(O)cc1)C(=O)C1CCC1 ZINC000037987646 388650102 /nfs/dbraw/zinc/65/01/02/388650102.db2.gz HBMUZDMFNGPHBR-UHFFFAOYSA-N 0 0 219.284 2.151 50 0 BEAARN Cc1cnc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cn1 ZINC000089702221 388739847 /nfs/dbraw/zinc/73/98/47/388739847.db2.gz CTHXAURJHWXPAZ-RYUDHWBXSA-N 0 0 245.326 2.047 50 0 BEAARN O=C(NC[C@@H]1CCCS1)C1CCCC1 ZINC000089818026 388740569 /nfs/dbraw/zinc/74/05/69/388740569.db2.gz CBZYWHMMWNBDDB-JTQLQIEISA-N 0 0 213.346 2.188 50 0 BEAARN O=C([C@H]1CCOC1)N1CCC2(C1)CCCCC2 ZINC000089818551 388741310 /nfs/dbraw/zinc/74/13/10/388741310.db2.gz GQFNRLCJNSLGGU-LBPRGKRZSA-N 0 0 237.343 2.206 50 0 BEAARN CCCC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000078985662 388742993 /nfs/dbraw/zinc/74/29/93/388742993.db2.gz ZJHBMFOUTBXNMF-GFCCVEGCSA-N 0 0 237.347 2.424 50 0 BEAARN CC(=O)N1CCCCC[C@H]1c1nc(C2CC2)no1 ZINC000257175108 388697659 /nfs/dbraw/zinc/69/76/59/388697659.db2.gz ADMMHUMGPZUVOY-NSHDSACASA-N 0 0 249.314 2.411 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000081074412 388716671 /nfs/dbraw/zinc/71/66/71/388716671.db2.gz UBFVARLRHWGQHG-ONGXEEELSA-N 0 0 248.301 2.265 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000081074418 388717325 /nfs/dbraw/zinc/71/73/25/388717325.db2.gz UBFVARLRHWGQHG-GXSJLCMTSA-N 0 0 248.301 2.265 50 0 BEAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(O)cc1 ZINC000012377880 388718306 /nfs/dbraw/zinc/71/83/06/388718306.db2.gz LMOIVGIHFWMMDP-VXGBXAGGSA-N 0 0 245.278 2.072 50 0 BEAARN CCN(CCO)C(=O)Nc1ccccc1Cl ZINC000037864320 388722704 /nfs/dbraw/zinc/72/27/04/388722704.db2.gz PXJNYTQRZGPEIP-UHFFFAOYSA-N 0 0 242.706 2.186 50 0 BEAARN O=C(C1=Cc2ccccc2OC1)N1CCCC1 ZINC000012926242 388725708 /nfs/dbraw/zinc/72/57/08/388725708.db2.gz ZYROWGWBGJRHGL-UHFFFAOYSA-N 0 0 229.279 2.085 50 0 BEAARN CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000225513822 388726889 /nfs/dbraw/zinc/72/68/89/388726889.db2.gz ISIJZVGGOLRLTD-IJLUTSLNSA-N 0 0 242.363 2.025 50 0 BEAARN CC[C@H](CO)NC(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000225513785 388727110 /nfs/dbraw/zinc/72/71/10/388727110.db2.gz ISIJZVGGOLRLTD-TUAOUCFPSA-N 0 0 242.363 2.025 50 0 BEAARN CCN(C)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000095953872 388794469 /nfs/dbraw/zinc/79/44/69/388794469.db2.gz ASXUAVSTQOGXBM-UHFFFAOYSA-N 0 0 233.271 2.070 50 0 BEAARN CSCCCNC(=O)Nc1ncccc1C ZINC000095960484 388795098 /nfs/dbraw/zinc/79/50/98/388795098.db2.gz CDCCBNXSQFPVFU-UHFFFAOYSA-N 0 0 239.344 2.265 50 0 BEAARN c1cn(CCSC[C@H]2CCCOC2)cn1 ZINC000095976703 388797776 /nfs/dbraw/zinc/79/77/76/388797776.db2.gz UCLJSICTVKOPNM-NSHDSACASA-N 0 0 226.345 2.043 50 0 BEAARN c1cnc(N[C@H]2CCOC3(CCCC3)C2)cn1 ZINC000095970857 388798210 /nfs/dbraw/zinc/79/82/10/388798210.db2.gz IIJRVOMVFSFVIT-NSHDSACASA-N 0 0 233.315 2.380 50 0 BEAARN Cn1nc(CNC(=O)C2CCCC2)cc1C1CC1 ZINC000096099268 388809359 /nfs/dbraw/zinc/80/93/59/388809359.db2.gz GYGJWZAHHXTTKY-UHFFFAOYSA-N 0 0 247.342 2.104 50 0 BEAARN COC(=O)c1cnc(/C=C\c2cccnc2)s1 ZINC000096189880 388809794 /nfs/dbraw/zinc/80/97/94/388809794.db2.gz IFDVAQCIHPQLRQ-PLNGDYQASA-N 0 0 246.291 2.495 50 0 BEAARN Cc1nc(CONC(=O)C(C)(C)C)cs1 ZINC000095395790 388765007 /nfs/dbraw/zinc/76/50/07/388765007.db2.gz NZOSQZZHEZGRMJ-UHFFFAOYSA-N 0 0 228.317 2.045 50 0 BEAARN CNC(=O)c1ccc(COc2ccccn2)cc1 ZINC000095394230 388765759 /nfs/dbraw/zinc/76/57/59/388765759.db2.gz WOBHSEWZMABZPR-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COC[C@H](CC(C)C)OC(=O)c1cscn1 ZINC000095394008 388766160 /nfs/dbraw/zinc/76/61/60/388766160.db2.gz KVRSJBZYJSIOJS-VIFPVBQESA-N 0 0 243.328 2.361 50 0 BEAARN CCCc1nnc(N(C)C2CCC2)s1 ZINC000095418470 388767286 /nfs/dbraw/zinc/76/72/86/388767286.db2.gz CBCNMPFHBFATPQ-UHFFFAOYSA-N 0 0 211.334 2.479 50 0 BEAARN Clc1cnc(N[C@H]2CCCc3c[nH]nc32)nc1 ZINC000095421555 388770256 /nfs/dbraw/zinc/77/02/56/388770256.db2.gz KFIINSNYFFVBCK-VIFPVBQESA-N 0 0 249.705 2.343 50 0 BEAARN C[C@H](CCO)CNC(=O)CC1(C)CCCCC1 ZINC000095435532 388771781 /nfs/dbraw/zinc/77/17/81/388771781.db2.gz VZIMZNSMGPQRFM-GFCCVEGCSA-N 0 0 241.375 2.482 50 0 BEAARN COCCc1nsc(N2[C@H](C)CC[C@@H]2C)n1 ZINC000095449436 388772914 /nfs/dbraw/zinc/77/29/14/388772914.db2.gz KVSSDKWSLXQMAG-DTORHVGOSA-N 0 0 241.360 2.104 50 0 BEAARN Cc1nscc1C(=O)O[C@@H](C)C1CC1 ZINC000095469305 388773935 /nfs/dbraw/zinc/77/39/35/388773935.db2.gz FEYWLNNGIJMJQP-ZETCQYMHSA-N 0 0 211.286 2.407 50 0 BEAARN Cc1cc(-c2nn3c(nnc3C3CC3)s2)on1 ZINC000095477370 388777928 /nfs/dbraw/zinc/77/79/28/388777928.db2.gz FQGRIAIRMFHTCZ-UHFFFAOYSA-N 0 0 247.283 2.027 50 0 BEAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1Cc1ccccc1 ZINC000095483164 388778038 /nfs/dbraw/zinc/77/80/38/388778038.db2.gz KCSZGLKFTDCMAL-CHWSQXEVSA-N 0 0 243.306 2.362 50 0 BEAARN CC(C)(c1cc(=O)cc[nH]1)C(F)(F)F ZINC000095627639 388779607 /nfs/dbraw/zinc/77/96/07/388779607.db2.gz CUCGKHLLFAWHAD-UHFFFAOYSA-N 0 0 205.179 2.215 50 0 BEAARN Cc1cc(C)c(CN2CCc3n[nH]cc3C2)o1 ZINC000020864933 388785323 /nfs/dbraw/zinc/78/53/23/388785323.db2.gz XGLJUZSVZZHBEH-UHFFFAOYSA-N 0 0 231.299 2.178 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000000388945 388813098 /nfs/dbraw/zinc/81/30/98/388813098.db2.gz UUMKXGIHIVYYGM-MRVPVSSYSA-N 0 0 242.706 2.496 50 0 BEAARN CCOc1cccc(NC(=O)N(CC)CC)n1 ZINC000095943372 388791183 /nfs/dbraw/zinc/79/11/83/388791183.db2.gz YHTYZBCIJKGYPM-UHFFFAOYSA-N 0 0 237.303 2.354 50 0 BEAARN CO[C@@H](CNC(=O)C1CC1)c1cccc(F)c1 ZINC000096387885 388817613 /nfs/dbraw/zinc/81/76/13/388817613.db2.gz DZPWISILSWDLIM-LBPRGKRZSA-N 0 0 237.274 2.039 50 0 BEAARN Cc1nc(CCn2ccnc2C)cs1 ZINC000097037528 388831320 /nfs/dbraw/zinc/83/13/20/388831320.db2.gz OCDGMLFLWPPQIX-UHFFFAOYSA-N 0 0 207.302 2.199 50 0 BEAARN CC(C)(CNC(=O)NCC(F)F)C(F)(F)F ZINC000225758554 388844861 /nfs/dbraw/zinc/84/48/61/388844861.db2.gz RAVALSCCFJKAHM-UHFFFAOYSA-N 0 0 248.195 2.139 50 0 BEAARN O=C([C@H]1CCCCC1=O)N1CCCCCC1 ZINC000101367658 388845530 /nfs/dbraw/zinc/84/55/30/388845530.db2.gz HDQBHDNUUPTCRJ-NSHDSACASA-N 0 0 223.316 2.148 50 0 BEAARN O=Nc1cc2c3c(c1O)CCCN3CCC2 ZINC000022521055 132293601 /nfs/dbraw/zinc/29/36/01/132293601.db2.gz KFUSCAKGIBYMAA-UHFFFAOYSA-N 0 0 218.256 2.489 50 0 BEAARN Cc1c([C@@H](C)NC(=O)C2CCCCC2)cnn1C ZINC000025006535 177626726 /nfs/dbraw/zinc/62/67/26/177626726.db2.gz YUUOXKCFHTZCED-SNVBAGLBSA-N 0 0 249.358 2.486 50 0 BEAARN Cc1cc(C)cc(N2CCC(=O)CC2)c1 ZINC000002559730 132315225 /nfs/dbraw/zinc/31/52/25/132315225.db2.gz ZWSOCTHSJFHGHY-UHFFFAOYSA-N 0 0 203.285 2.473 50 0 BEAARN Cc1ccc(OCC(=O)NC(C)C)c(C)c1 ZINC000000444792 224471722 /nfs/dbraw/zinc/47/17/22/224471722.db2.gz ULBRGYMGWJTLEL-UHFFFAOYSA-N 0 0 221.300 2.207 50 0 BEAARN CCN(C)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000071892305 169683794 /nfs/dbraw/zinc/68/37/94/169683794.db2.gz DRIHCLVRQKMGTD-JTQLQIEISA-N 0 0 238.306 2.418 50 0 BEAARN C/C=C/C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000015671171 322825303 /nfs/dbraw/zinc/82/53/03/322825303.db2.gz JNPAFAUEFHWJTA-YVGDHZEHSA-N 0 0 244.294 2.184 50 0 BEAARN COc1ccnc(N2CCC(C)=C(C)C2)n1 ZINC000280986397 132306892 /nfs/dbraw/zinc/30/68/92/132306892.db2.gz MWMDXBXTPUHYEA-UHFFFAOYSA-N 0 0 219.288 2.032 50 0 BEAARN CC(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000095350370 132312031 /nfs/dbraw/zinc/31/20/31/132312031.db2.gz WXWRWIOAWNJWPA-UHFFFAOYSA-N 0 0 219.288 2.030 50 0 BEAARN CC[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000000030417 132312395 /nfs/dbraw/zinc/31/23/95/132312395.db2.gz GPNXDVXGUVXYLI-CYBMUJFWSA-N 0 0 246.354 2.381 50 0 BEAARN CC(C)N1CCC(=O)N(c2ccccc2)C1=O ZINC000000152888 132312792 /nfs/dbraw/zinc/31/27/92/132312792.db2.gz ZPROGLFTKXNNSY-UHFFFAOYSA-N 0 0 232.283 2.254 50 0 BEAARN CCOC(=O)c1ccc(N2CCCCC2)c(N)c1 ZINC000000164852 132312921 /nfs/dbraw/zinc/31/29/21/132312921.db2.gz NZNCMBCPAWKKSB-UHFFFAOYSA-N 0 0 248.326 2.436 50 0 BEAARN CCCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000000262146 132313242 /nfs/dbraw/zinc/31/32/42/132313242.db2.gz OIFVMEQEQURAOU-UHFFFAOYSA-N 0 0 248.326 2.262 50 0 BEAARN O=C1Nc2ccccc2N(O)N1c1cccnc1 ZINC000000184514 132313251 /nfs/dbraw/zinc/31/32/51/132313251.db2.gz DVDHCYFCVDGYNK-UHFFFAOYSA-N 0 0 242.238 2.244 50 0 BEAARN Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCO1 ZINC000001052259 132313880 /nfs/dbraw/zinc/31/38/80/132313880.db2.gz QKFQYRLOTILBBC-CQSZACIVSA-N 0 0 245.322 2.453 50 0 BEAARN Cc1ccc2c(c1)[C@H](O)C[C@H](C)N2N=O ZINC000004673445 132316732 /nfs/dbraw/zinc/31/67/32/132316732.db2.gz FLFNKEWNZOUJJU-GZMMTYOYSA-N 0 0 206.245 2.308 50 0 BEAARN CC(=O)N1c2ccccc2N(C(C)=O)[C@@H](C)[C@@H]1C ZINC000004779430 132316991 /nfs/dbraw/zinc/31/69/91/132316991.db2.gz UFBHMUGOJWNUJZ-UWVGGRQHSA-N 0 0 246.310 2.183 50 0 BEAARN Clc1nnc(N2CCOCC2)c2ccccc12 ZINC000005704874 132318053 /nfs/dbraw/zinc/31/80/53/132318053.db2.gz HKDWRJGJFKFGIV-UHFFFAOYSA-N 0 0 249.701 2.120 50 0 BEAARN Cc1ccc(N)cc1N1CCCCC1=O ZINC000011920103 132320982 /nfs/dbraw/zinc/32/09/82/132320982.db2.gz ROFVFYUZNNIHNE-UHFFFAOYSA-N 0 0 204.273 2.094 50 0 BEAARN CC1(C)C[C@@](C)(O)N(c2ccccc2)C(=O)N1 ZINC000012390878 132321328 /nfs/dbraw/zinc/32/13/28/132321328.db2.gz RDOFCEJOWIKGLL-CYBMUJFWSA-N 0 0 234.299 2.093 50 0 BEAARN CC1CCN(c2cncc(Cl)n2)CC1 ZINC000012825422 132321629 /nfs/dbraw/zinc/32/16/29/132321629.db2.gz VBKTYBAQFJUFJS-UHFFFAOYSA-N 0 0 211.696 2.366 50 0 BEAARN C/C=C/C=C/C(=O)N1CC(=O)Nc2ccccc21 ZINC000014093107 132322610 /nfs/dbraw/zinc/32/26/10/132322610.db2.gz SSBKYOMVPWBUBO-DSXPNFDZSA-N 0 0 242.278 2.104 50 0 BEAARN O=C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000019087719 132323846 /nfs/dbraw/zinc/32/38/46/132323846.db2.gz TXXRZOKECZXFAB-UHFFFAOYSA-N 0 0 215.296 2.345 50 0 BEAARN O=C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000019087711 132324105 /nfs/dbraw/zinc/32/41/05/132324105.db2.gz OQVXHVMMKRCNKU-UHFFFAOYSA-N 0 0 211.211 2.134 50 0 BEAARN C[C@@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1 ZINC000020078937 132329647 /nfs/dbraw/zinc/32/96/47/132329647.db2.gz OGVXOBJOPFDWIY-PHIMTYICSA-N 0 0 219.284 2.113 50 0 BEAARN Cc1noc(CN2CCCc3cc(F)ccc32)n1 ZINC000026624990 132333717 /nfs/dbraw/zinc/33/37/17/132333717.db2.gz FJLJWKUBFHYTDS-UHFFFAOYSA-N 0 0 247.273 2.470 50 0 BEAARN C[C@H]1CN(c2ncnc3ccccc32)[C@@H](C)CO1 ZINC000032803916 132335472 /nfs/dbraw/zinc/33/54/72/132335472.db2.gz AWSDCGJYXVSDQE-QWRGUYRKSA-N 0 0 243.310 2.243 50 0 BEAARN CC(C)CNC(=O)N1CCN(C)c2ccccc21 ZINC000033127112 132335882 /nfs/dbraw/zinc/33/58/82/132335882.db2.gz KVUNYMGGRRWEAZ-UHFFFAOYSA-N 0 0 247.342 2.308 50 0 BEAARN C[C@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000040422334 132347273 /nfs/dbraw/zinc/34/72/73/132347273.db2.gz GAYVBGWDNBOZRY-QMMMGPOBSA-N 0 0 211.696 2.366 50 0 BEAARN Cc1nc2ncnc(N3C[C@H](C)C[C@H](C)C3)c2[nH]1 ZINC000041123970 132349591 /nfs/dbraw/zinc/34/95/91/132349591.db2.gz DZSKCVMHJWQCMH-DTORHVGOSA-N 0 0 245.330 2.144 50 0 BEAARN Cc1nc2ncnc(N3C[C@@H](C)C[C@H](C)C3)c2[nH]1 ZINC000041123972 132349604 /nfs/dbraw/zinc/34/96/04/132349604.db2.gz DZSKCVMHJWQCMH-IUCAKERBSA-N 0 0 245.330 2.144 50 0 BEAARN CC(C)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000041306509 132350046 /nfs/dbraw/zinc/35/00/46/132350046.db2.gz MHQAOTNDTWIPGL-JTQLQIEISA-N 0 0 219.284 2.457 50 0 BEAARN CC1CCN(c2cc(=S)[nH]cn2)CC1 ZINC000045918632 132355052 /nfs/dbraw/zinc/35/50/52/132355052.db2.gz ATLRGAYOXIHGML-UHFFFAOYSA-N 0 0 209.318 2.375 50 0 BEAARN CC[C@@H]1CCCCN1c1cc(C)nc2ncnn21 ZINC000048290989 132355283 /nfs/dbraw/zinc/35/52/83/132355283.db2.gz RLVLAZJKBUWOAD-LLVKDONJSA-N 0 0 245.330 2.202 50 0 BEAARN O=C([C@@H]1CCCO1)N1CCSc2ccccc21 ZINC000057337818 132365530 /nfs/dbraw/zinc/36/55/30/132365530.db2.gz IFYUPKGAVRLPJT-NSHDSACASA-N 0 0 249.335 2.304 50 0 BEAARN NC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000059693389 132368574 /nfs/dbraw/zinc/36/85/74/132368574.db2.gz ZSQKQLHWFDRJKY-UHFFFAOYSA-N 0 0 219.288 2.168 50 0 BEAARN Cc1cc(C)nc(N2CCC[C@H](CCCO)C2)n1 ZINC000065373624 132389391 /nfs/dbraw/zinc/38/93/91/132389391.db2.gz UQPVGXMMVHASJV-CYBMUJFWSA-N 0 0 249.358 2.082 50 0 BEAARN CC(=O)N1C[C@H](C)Oc2cc(C)ccc21 ZINC000064554691 132389527 /nfs/dbraw/zinc/38/95/27/132389527.db2.gz QSBACAAWFMHKQG-VIFPVBQESA-N 0 0 205.257 2.129 50 0 BEAARN COCCC(=O)N1C[C@H](C)Oc2cc(C)ccc21 ZINC000064554772 132389611 /nfs/dbraw/zinc/38/96/11/132389611.db2.gz LOZXAPFPISAERI-NSHDSACASA-N 0 0 249.310 2.145 50 0 BEAARN Cc1ccc2c(c1)N(CCCO)CCC2 ZINC000071897280 132395425 /nfs/dbraw/zinc/39/54/25/132395425.db2.gz DNEKSQVVXZOSAU-UHFFFAOYSA-N 0 0 205.301 2.130 50 0 BEAARN C[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000072275958 132396392 /nfs/dbraw/zinc/39/63/92/132396392.db2.gz VAEJVFIAPXRBMH-GFCCVEGCSA-N 0 0 246.358 2.313 50 0 BEAARN C[C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000072275959 132396485 /nfs/dbraw/zinc/39/64/85/132396485.db2.gz VAEJVFIAPXRBMH-LBPRGKRZSA-N 0 0 246.358 2.313 50 0 BEAARN CN1CCN(Cc2ccno2)c2ccc(F)cc21 ZINC000072857549 132397030 /nfs/dbraw/zinc/39/70/30/132397030.db2.gz OSTDUHXWAZWCPB-UHFFFAOYSA-N 0 0 247.273 2.270 50 0 BEAARN C[C@@H]1CC(C)(C)c2ccccc2N1CC(N)=O ZINC000096002346 132431167 /nfs/dbraw/zinc/43/11/67/132431167.db2.gz IIMMDKRWBBNXCS-SNVBAGLBSA-N 0 0 232.327 2.048 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCCc1ccccn1 ZINC000040465337 133463386 /nfs/dbraw/zinc/46/33/86/133463386.db2.gz PAYUCKKNRZWOOF-LBPRGKRZSA-N 0 0 230.311 2.097 50 0 BEAARN C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226444770 133475659 /nfs/dbraw/zinc/47/56/59/133475659.db2.gz RFSIJWITGRWYTL-MWLCHTKSSA-N 0 0 237.274 2.293 50 0 BEAARN Cc1cc(C)nc(NC(=O)[C@@H]2CC=CCC2)n1 ZINC000032735946 133745363 /nfs/dbraw/zinc/74/53/63/133745363.db2.gz UHVXYTLSXSSRDD-LLVKDONJSA-N 0 0 231.299 2.388 50 0 BEAARN FC(F)c1cnc(N[C@H]2CC23CC3)nc1 ZINC000335106582 133775594 /nfs/dbraw/zinc/77/55/94/133775594.db2.gz FSXXAUHBPQCKHN-ZETCQYMHSA-N 0 0 211.215 2.379 50 0 BEAARN C[C@H](C(=O)NC1CC(F)(F)C1)C1CCC1 ZINC000335121847 133791003 /nfs/dbraw/zinc/79/10/03/133791003.db2.gz MRLBCQIGHAXGRD-ZETCQYMHSA-N 0 0 217.259 2.337 50 0 BEAARN NC(=O)COc1cnc2ccc(F)cc2c1 ZINC000335418914 133861390 /nfs/dbraw/zinc/86/13/90/133861390.db2.gz PYTNTBRELCXACT-UHFFFAOYSA-N 0 0 220.203 2.288 50 0 BEAARN CCSc1cccc(F)c1NC(N)=O ZINC000335856225 133939836 /nfs/dbraw/zinc/93/98/36/133939836.db2.gz YSDBBZXRXTYQAO-UHFFFAOYSA-N 0 0 214.265 2.428 50 0 BEAARN CCn1ccnc1CN1CCC[C@@](C)(F)C1 ZINC000336215531 134137039 /nfs/dbraw/zinc/13/70/39/134137039.db2.gz UIWPSJXFQRSPPD-GFCCVEGCSA-N 0 0 225.311 2.227 50 0 BEAARN Cc1nn(CC(C)C)c(C)c1[C@@H]1CCCC(=O)N1 ZINC000408525248 134810507 /nfs/dbraw/zinc/81/05/07/134810507.db2.gz RKYCPMASHHLDAL-LBPRGKRZSA-N 0 0 249.358 2.497 50 0 BEAARN COc1cc(CNc2nnc(C)o2)ccc1C ZINC000195002831 134833633 /nfs/dbraw/zinc/83/36/33/134833633.db2.gz DBZIVTBIBLZGDU-UHFFFAOYSA-N 0 0 233.271 2.307 50 0 BEAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCCO1 ZINC000248532397 135003033 /nfs/dbraw/zinc/00/30/33/135003033.db2.gz RBNVSMQLTNSFOS-GRYCIOLGSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H]1CCCO1 ZINC000248532398 135003133 /nfs/dbraw/zinc/00/31/33/135003133.db2.gz RBNVSMQLTNSFOS-IJLUTSLNSA-N 0 0 225.332 2.203 50 0 BEAARN O=C(N[C@H]1CC[C@H](F)C1)c1ccsc1 ZINC000334287252 135339750 /nfs/dbraw/zinc/33/97/50/135339750.db2.gz XTYJNFXJNRSLRC-IUCAKERBSA-N 0 0 213.277 2.369 50 0 BEAARN Cc1ncc(NC(=O)c2cc(F)c[nH]2)s1 ZINC000334382359 135381539 /nfs/dbraw/zinc/38/15/39/135381539.db2.gz KIHYFZGJGYGODJ-UHFFFAOYSA-N 0 0 225.248 2.171 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2cnccn2)cc1 ZINC000033000479 135823734 /nfs/dbraw/zinc/82/37/34/135823734.db2.gz KYKQCWXSYXYQHN-UHFFFAOYSA-N 0 0 241.294 2.057 50 0 BEAARN FC(F)[C@H]1CCCN1Cc1cncs1 ZINC000334957164 135850616 /nfs/dbraw/zinc/85/06/16/135850616.db2.gz VBXWPWDPNJMFHV-MRVPVSSYSA-N 0 0 218.272 2.373 50 0 BEAARN CCC1CN(C(=O)Nc2cncc(F)c2)C1 ZINC000334999288 135862059 /nfs/dbraw/zinc/86/20/59/135862059.db2.gz GLWDWNAGTUOGRR-UHFFFAOYSA-N 0 0 223.251 2.094 50 0 BEAARN C[C@H]1CCC(C)(C)N1C(=O)COC(F)F ZINC000335180300 135964388 /nfs/dbraw/zinc/96/43/88/135964388.db2.gz XSCNYWVYGIRAJU-ZETCQYMHSA-N 0 0 221.247 2.015 50 0 BEAARN O=C(NCc1ccoc1)[C@H]1CCC[C@H](F)C1 ZINC000335548031 136096968 /nfs/dbraw/zinc/09/69/68/136096968.db2.gz BHCCENAVACKGNF-QWRGUYRKSA-N 0 0 225.263 2.424 50 0 BEAARN O=C(NCc1ccoc1)[C@@H]1CCC[C@@H](F)C1 ZINC000335548029 136097014 /nfs/dbraw/zinc/09/70/14/136097014.db2.gz BHCCENAVACKGNF-GHMZBOCLSA-N 0 0 225.263 2.424 50 0 BEAARN Cc1ccc([C@@H](O)c2ccccn2)cc1N ZINC000170619942 397824238 /nfs/dbraw/zinc/82/42/38/397824238.db2.gz JGMVHZLFGANPDV-CYBMUJFWSA-N 0 0 214.268 2.054 50 0 BEAARN CS(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000029493 397913919 /nfs/dbraw/zinc/91/39/19/397913919.db2.gz ABDSELXYGSLVMY-UHFFFAOYSA-N 0 0 239.218 2.077 50 0 BEAARN Cc1cnn(C)c1CN1CCC[C@](C)(F)C1 ZINC000295578235 398005911 /nfs/dbraw/zinc/00/59/11/398005911.db2.gz BGSAZKPDUDDZDP-LBPRGKRZSA-N 0 0 225.311 2.053 50 0 BEAARN CCc1ccccc1O[C@@H](C)C(=O)N(C)C ZINC000033359559 398010978 /nfs/dbraw/zinc/01/09/78/398010978.db2.gz OCOHLQIHCFHJPH-JTQLQIEISA-N 0 0 221.300 2.105 50 0 BEAARN CCc1ccccc1C(=O)N1CCC[C@@H](O)CC1 ZINC000294233916 398016701 /nfs/dbraw/zinc/01/67/01/398016701.db2.gz AUCIQQLPDHCPEV-CYBMUJFWSA-N 0 0 247.338 2.236 50 0 BEAARN O=C1OCCN1c1cccc(C2OCCCO2)c1 ZINC000040546198 398028787 /nfs/dbraw/zinc/02/87/87/398028787.db2.gz SBROAJMLKBNDFX-UHFFFAOYSA-N 0 0 249.266 2.079 50 0 BEAARN Cc1nnc2sc(-c3cc(C(C)C)[nH]n3)nn12 ZINC000022504350 397973966 /nfs/dbraw/zinc/97/39/66/397973966.db2.gz BGNXTLYCOUTCKT-UHFFFAOYSA-N 0 0 248.315 2.008 50 0 BEAARN Cc1ccc(C(=O)NCCc2ccccn2)s1 ZINC000022507742 397974632 /nfs/dbraw/zinc/97/46/32/397974632.db2.gz PXPBLUJFRWRFNY-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN CC(C)(C)c1ccc2c(c1)[C@H](CO)CN2 ZINC000071486745 397975513 /nfs/dbraw/zinc/97/55/13/397975513.db2.gz RCOBPXQABAONOJ-VIFPVBQESA-N 0 0 205.301 2.486 50 0 BEAARN COc1c(C)cnc(CS[C@H](C)CO)c1C ZINC000079103145 398066357 /nfs/dbraw/zinc/06/63/57/398066357.db2.gz DMRQDRYAQAUBMZ-SECBINFHSA-N 0 0 241.356 2.321 50 0 BEAARN COC(=O)c1cc(Cl)cc(Cl)n1 ZINC000066322942 398090887 /nfs/dbraw/zinc/09/08/87/398090887.db2.gz MXHPWLMQTZILLL-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN CS[C@@H](C)CNC(=O)/C=C\c1ccc(C)o1 ZINC000221956378 398121745 /nfs/dbraw/zinc/12/17/45/398121745.db2.gz RUMOBWPMGPDVIL-GFVADAIESA-N 0 0 239.340 2.469 50 0 BEAARN C[C@H](NC(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000043728368 398123080 /nfs/dbraw/zinc/12/30/80/398123080.db2.gz SYQCDGBJUOGBID-WCQYABFASA-N 0 0 248.326 2.053 50 0 BEAARN CC(C)NC(=O)CCCOc1ccccc1 ZINC000001779414 167039389 /nfs/dbraw/zinc/03/93/89/167039389.db2.gz TXPDKXIWLBBXLZ-UHFFFAOYSA-N 0 0 221.300 2.370 50 0 BEAARN CC(C)NC(=O)COc1ccccc1Cl ZINC000005481832 167063892 /nfs/dbraw/zinc/06/38/92/167063892.db2.gz LRQWGUVFKSYRSY-UHFFFAOYSA-N 0 0 227.691 2.243 50 0 BEAARN CC(C)NCn1c2ccccc2sc1=O ZINC000005284730 167123967 /nfs/dbraw/zinc/12/39/67/167123967.db2.gz DWPOGOLVXLVFQN-UHFFFAOYSA-N 0 0 222.313 2.019 50 0 BEAARN CC(C)Nc1nc(Cl)nc(NC(C)C)n1 ZINC000000246137 167149228 /nfs/dbraw/zinc/14/92/28/167149228.db2.gz WJNRPILHGGKWCK-UHFFFAOYSA-N 0 0 229.715 2.166 50 0 in-vitro BEAARN CSCc1nnc(S[C@@H](C)C(C)=O)o1 ZINC000071843828 175534228 /nfs/dbraw/zinc/53/42/28/175534228.db2.gz YXXCGTDVAWTGNI-LURJTMIESA-N 0 0 232.330 2.002 50 0 BEAARN CC(C)OCCC(=O)Nc1ccc(O)cc1F ZINC000096500461 167200902 /nfs/dbraw/zinc/20/09/02/167200902.db2.gz LPSNPHZYHTWWQP-UHFFFAOYSA-N 0 0 241.262 2.285 50 0 BEAARN Cn1cncc1-c1ccc(N2CCCC2)nc1 ZINC000585090006 487574364 /nfs/dbraw/zinc/57/43/64/487574364.db2.gz JPWWMUHWOHHINS-UHFFFAOYSA-N 0 0 228.299 2.082 50 0 BEAARN CC[C@](C)(O)Cc1cn(-c2ccccc2F)nn1 ZINC000585091487 487575571 /nfs/dbraw/zinc/57/55/71/487575571.db2.gz HFPVGCUFJNMGGP-ZDUSSCGKSA-N 0 0 249.289 2.110 50 0 BEAARN CC[C@@](C)(O)Cc1cn(-c2ccccc2F)nn1 ZINC000585091486 487575616 /nfs/dbraw/zinc/57/56/16/487575616.db2.gz HFPVGCUFJNMGGP-CYBMUJFWSA-N 0 0 249.289 2.110 50 0 BEAARN Cc1ccc2oc(=N[C@@H](C)C3(CO)CC3)[nH]c2c1 ZINC000585098970 487579101 /nfs/dbraw/zinc/57/91/01/487579101.db2.gz XXLIDIHESRJTDE-JTQLQIEISA-N 0 0 246.310 2.131 50 0 BEAARN CC(C)OCCCNc1ncnc2c1CCC2 ZINC000065288092 167225298 /nfs/dbraw/zinc/22/52/98/167225298.db2.gz RBBXVUVGAHUEGL-UHFFFAOYSA-N 0 0 235.331 2.192 50 0 BEAARN C=CC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000037650770 487587776 /nfs/dbraw/zinc/58/77/76/487587776.db2.gz XRBNNRPJTZHQAT-UHFFFAOYSA-N 0 0 231.295 2.242 50 0 BEAARN CC(C)SCC(=O)N(C)C[C@@H]1CCCCO1 ZINC000071479380 167321872 /nfs/dbraw/zinc/32/18/72/167321872.db2.gz VMSGBFWNCAYJSN-NSHDSACASA-N 0 0 245.388 2.156 50 0 BEAARN Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000040516428 409820930 /nfs/dbraw/zinc/82/09/30/409820930.db2.gz SPTWIADVPOGCGX-UHFFFAOYSA-N 0 0 229.070 2.156 50 0 BEAARN CC(C)=CCN1CCC[C@H]1c1noc(C)n1 ZINC000075573184 410051577 /nfs/dbraw/zinc/05/15/77/410051577.db2.gz LTUBQWMHTXVRMT-NSHDSACASA-N 0 0 221.304 2.481 50 0 BEAARN C[C@@H](NC(=O)c1cc(O)cc(O)c1)C1CCC1 ZINC000097102001 410055278 /nfs/dbraw/zinc/05/52/78/410055278.db2.gz OATAEOGIHATKKJ-MRVPVSSYSA-N 0 0 235.283 2.016 50 0 BEAARN Brc1c[nH]nc1-c1nccs1 ZINC000083142834 166096618 /nfs/dbraw/zinc/09/66/18/166096618.db2.gz SCMPDQDVFAIXRB-UHFFFAOYSA-N 0 0 230.090 2.296 50 0 BEAARN Brc1ccc(-n2ccnn2)cc1 ZINC000039397531 166097043 /nfs/dbraw/zinc/09/70/43/166097043.db2.gz NOWNHDWVMOQQTR-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1ccc(OC[C@@H]2CO2)cc1 ZINC000002164284 166097285 /nfs/dbraw/zinc/09/72/85/166097285.db2.gz YKUYKENINQNULY-SECBINFHSA-N 0 0 229.073 2.227 50 0 BEAARN Brc1ccc(C2OCCO2)cc1 ZINC000002245225 166097786 /nfs/dbraw/zinc/09/77/86/166097786.db2.gz ZYIMHOWVWWHLDN-UHFFFAOYSA-N 0 0 229.073 2.495 50 0 BEAARN Brc1cccc(-c2ncc[nH]2)n1 ZINC000096663634 166100827 /nfs/dbraw/zinc/10/08/27/166100827.db2.gz WYGSSGPYUCKHNG-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1cccc(-n2cnnc2)c1 ZINC000019091937 166101240 /nfs/dbraw/zinc/10/12/40/166101240.db2.gz OZNSPEKVPJHTDF-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1cccc(C2=NCCO2)c1 ZINC000038313381 166101740 /nfs/dbraw/zinc/10/17/40/166101740.db2.gz SJJQTHCDSIMQGE-UHFFFAOYSA-N 0 0 226.073 2.226 50 0 BEAARN Brc1cccc([C@H]2COCC[NH2+]2)c1 ZINC000095692327 166101990 /nfs/dbraw/zinc/10/19/90/166101990.db2.gz PVXORKMUACYCGX-SNVBAGLBSA-N 0 0 242.116 2.110 50 0 BEAARN Brc1cccc(-n2cccn2)n1 ZINC000003880851 166102091 /nfs/dbraw/zinc/10/20/91/166102091.db2.gz LPRJOZJWALGJGM-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1cccc2c1OCCO2 ZINC000012359467 166102097 /nfs/dbraw/zinc/10/20/97/166102097.db2.gz NGOZRIZXELGVHK-UHFFFAOYSA-N 0 0 215.046 2.220 50 0 BEAARN Brc1cnc2ccccc2n1 ZINC000021985276 166104200 /nfs/dbraw/zinc/10/42/00/166104200.db2.gz XVKLMYQMVPHUPN-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccccc1-c1ncno1 ZINC000068590690 166103179 /nfs/dbraw/zinc/10/31/79/166103179.db2.gz LQWHRLJFQJMTHK-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1cn(Cc2ccccc2)nn1 ZINC000084712223 166104064 /nfs/dbraw/zinc/10/40/64/166104064.db2.gz YLXKYQSJEUVBMU-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN Brc1cncc(N2CCSC2)c1 ZINC000169725537 166103966 /nfs/dbraw/zinc/10/39/66/166103966.db2.gz CONUCQOMQCDPBF-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN O=C(c1ccc(Cl)cc1)N1CCCC1=O ZINC000000236928 410245833 /nfs/dbraw/zinc/24/58/33/410245833.db2.gz HTMAAEZYWDDRFE-UHFFFAOYSA-N 0 0 223.659 2.103 50 0 BEAARN Brc1cnn(C2CCC2)c1 ZINC000072193398 166106404 /nfs/dbraw/zinc/10/64/04/166106404.db2.gz WILOMGXFNRGZMJ-UHFFFAOYSA-N 0 0 201.067 2.371 50 0 BEAARN Brc1cnn(CC2CC2)c1 ZINC000038074854 166106490 /nfs/dbraw/zinc/10/64/90/166106490.db2.gz QDGAEYSYYWYJHX-UHFFFAOYSA-N 0 0 201.067 2.056 50 0 BEAARN Brc1cnccc1-c1cncnc1 ZINC000096135166 166106656 /nfs/dbraw/zinc/10/66/56/166106656.db2.gz DSKGCXAFJMSIMP-UHFFFAOYSA-N 0 0 236.072 2.301 50 0 BEAARN CCN(CC)C(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000002838539 169743971 /nfs/dbraw/zinc/74/39/71/169743971.db2.gz WLLLAMRAXQNDGZ-UHFFFAOYSA-N 0 0 248.326 2.110 50 0 BEAARN C/C(=C/C(=O)N1CCC[C@H]1CO)c1ccccc1 ZINC000125031570 166232124 /nfs/dbraw/zinc/23/21/24/166232124.db2.gz GTEKTSDWYBDPNM-HCYCVZQXSA-N 0 0 245.322 2.073 50 0 BEAARN CCN(CC)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000033023623 169758968 /nfs/dbraw/zinc/75/89/68/169758968.db2.gz NVCUBSFCEGERNM-UHFFFAOYSA-N 0 0 244.294 2.010 50 0 BEAARN CC(=O)c1ccc(-n2ccnc2)c(F)c1 ZINC000019871200 166451078 /nfs/dbraw/zinc/45/10/78/166451078.db2.gz ZWQLFTQZFDYLBC-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN CC(=O)c1sc2nc(C)ccc2c1N ZINC000038585667 166492855 /nfs/dbraw/zinc/49/28/55/166492855.db2.gz UAMHDZRSCSBZPM-UHFFFAOYSA-N 0 0 206.270 2.390 50 0 BEAARN CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000039242454 166497902 /nfs/dbraw/zinc/49/79/02/166497902.db2.gz GBWGGPUIWKWJIT-UHFFFAOYSA-N 0 0 230.304 2.306 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)CC[C@@H]21 ZINC000051943432 166652023 /nfs/dbraw/zinc/65/20/23/166652023.db2.gz FAFPNFIAMGOSNB-KOLCDFICSA-N 0 0 239.315 2.365 50 0 BEAARN CC(C)(C)OC(=O)NC1CC(F)(F)C1 ZINC000095938167 166659487 /nfs/dbraw/zinc/65/94/87/166659487.db2.gz AYWSUTXVTWBHLF-UHFFFAOYSA-N 0 0 207.220 2.309 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000002541589 166667538 /nfs/dbraw/zinc/66/75/38/166667538.db2.gz ROUONLKDWVQKNB-NWDGAFQWSA-N 0 0 249.310 2.169 50 0 BEAARN CC(C)(C)OC(=O)[C@H]1N[C@@H]1c1ccccc1 ZINC000095644395 166673068 /nfs/dbraw/zinc/67/30/68/166673068.db2.gz SJENAWGNJMLOIZ-MNOVXSKESA-N 0 0 219.284 2.041 50 0 BEAARN CC(C)C(=O)N1CCc2sccc2C1 ZINC000032883735 166712411 /nfs/dbraw/zinc/71/24/11/166712411.db2.gz UBBLNARLUNHCJV-UHFFFAOYSA-N 0 0 209.314 2.289 50 0 BEAARN CC(C)CC(=O)NCc1ccc(F)cc1 ZINC000000476355 166765331 /nfs/dbraw/zinc/76/53/31/166765331.db2.gz POYRVVMMGTYAGA-UHFFFAOYSA-N 0 0 209.264 2.488 50 0 BEAARN CC(C)CC(=O)N[C@@H]1COc2ccccc2C1 ZINC000053043337 166769660 /nfs/dbraw/zinc/76/96/60/166769660.db2.gz FSYWSPNTAZZCET-LBPRGKRZSA-N 0 0 233.311 2.152 50 0 BEAARN CC(C)CC[C@@H]1SC(=O)N(C)C1=O ZINC000004089238 166898877 /nfs/dbraw/zinc/89/88/77/166898877.db2.gz DWTGZSAXBHCXIQ-ZETCQYMHSA-N 0 0 201.291 2.116 50 0 BEAARN CC(C)CNC(=O)c1ccc(F)cc1F ZINC000016575286 166999218 /nfs/dbraw/zinc/99/92/18/166999218.db2.gz BJSSVSNWYUNBKR-UHFFFAOYSA-N 0 0 213.227 2.351 50 0 BEAARN CC(C)N1CCn2c3ccccc3nc2C1 ZINC000019855507 167029082 /nfs/dbraw/zinc/02/90/82/167029082.db2.gz QXJKZBZXGNXBCJ-UHFFFAOYSA-N 0 0 215.300 2.260 50 0 BEAARN CC(C)N1Cc2c(nc(Cl)nc2Cl)C1=O ZINC000087493434 167035560 /nfs/dbraw/zinc/03/55/60/167035560.db2.gz GAGWWEPZXHVQSE-UHFFFAOYSA-N 0 0 246.097 2.148 50 0 BEAARN CC(C)NC(=O)Cc1coc(-c2ccccc2)n1 ZINC000032193225 167065026 /nfs/dbraw/zinc/06/50/26/167065026.db2.gz DRFWSVPEFXGENS-UHFFFAOYSA-N 0 0 244.294 2.409 50 0 BEAARN CC(C)NC(=O)N[C@H](C)c1ccccc1 ZINC000012916804 167077373 /nfs/dbraw/zinc/07/73/73/167077373.db2.gz UTFPHAVVQBCPNT-SNVBAGLBSA-N 0 0 206.289 2.455 50 0 BEAARN CC(C)NC(=O)Nc1cccc(-n2cccn2)c1 ZINC000048488830 167079633 /nfs/dbraw/zinc/07/96/33/167079633.db2.gz UPVIUBGMPDVTTQ-UHFFFAOYSA-N 0 0 244.298 2.402 50 0 BEAARN CC(C)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000020028329 167085239 /nfs/dbraw/zinc/08/52/39/167085239.db2.gz PTJPSUPGNKXEJF-UHFFFAOYSA-N 0 0 220.247 2.445 50 0 BEAARN CC(C)NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000008748280 167089045 /nfs/dbraw/zinc/08/90/45/167089045.db2.gz MWHCJAMZMAJHIA-UHFFFAOYSA-N 0 0 243.310 2.070 50 0 BEAARN CC(C)NC(=O)c1ccn(-c2ccccc2)n1 ZINC000032632743 167090328 /nfs/dbraw/zinc/09/03/28/167090328.db2.gz YYPVTHGJWHRHHL-UHFFFAOYSA-N 0 0 229.283 2.011 50 0 BEAARN CC(C)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000013020072 167090561 /nfs/dbraw/zinc/09/05/61/167090561.db2.gz FCOREHMLCBMFHB-UHFFFAOYSA-N 0 0 229.283 2.011 50 0 BEAARN CC(C)Nc1ccc(N2CCNC2=O)cc1 ZINC000037076232 167147400 /nfs/dbraw/zinc/14/74/00/167147400.db2.gz BMJWNHNZIXICIQ-UHFFFAOYSA-N 0 0 219.288 2.037 50 0 BEAARN CC(C)OC(=O)c1ccc(N)cc1Cl ZINC000041580736 167172497 /nfs/dbraw/zinc/17/24/97/167172497.db2.gz BMIVTCLLDDCNOU-UHFFFAOYSA-N 0 0 213.664 2.487 50 0 BEAARN CC(C)Oc1cc(NCc2ccco2)nc(N)n1 ZINC000065502283 167286373 /nfs/dbraw/zinc/28/63/73/167286373.db2.gz CYNGENHBHBQNBR-UHFFFAOYSA-N 0 0 248.286 2.051 50 0 BEAARN CC(C)Oc1ccc([C@H]2CNC(=O)C2)cc1 ZINC000000266573 167301004 /nfs/dbraw/zinc/30/10/04/167301004.db2.gz IQRQFDBETFFVOE-LLVKDONJSA-N 0 0 219.284 2.077 50 0 BEAARN CC(C)Oc1ncc(CO)cc1Cl ZINC000040883476 167313962 /nfs/dbraw/zinc/31/39/62/167313962.db2.gz LVTJUYBHZPUHMF-UHFFFAOYSA-N 0 0 201.653 2.015 50 0 BEAARN CC(C)Oc1nccc(Br)n1 ZINC000044117969 167314125 /nfs/dbraw/zinc/31/41/25/167314125.db2.gz FAINZTIGTBPCAY-UHFFFAOYSA-N 0 0 217.066 2.026 50 0 BEAARN CC(C)S(=O)(=O)C(Cl)(Cl)Cl ZINC000045069270 167315846 /nfs/dbraw/zinc/31/58/46/167315846.db2.gz BQEQCZFMQCAOIQ-UHFFFAOYSA-N 0 0 225.524 2.137 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000041788353 410936416 /nfs/dbraw/zinc/93/64/16/410936416.db2.gz HUEKXTQTVHOCEQ-RAIGVLPGSA-N 0 0 230.311 2.401 50 0 BEAARN CC(C)Sc1ccc(NC(=O)C2CC2)nn1 ZINC000013701892 167337671 /nfs/dbraw/zinc/33/76/71/167337671.db2.gz VDGHOFBKBUSCCT-UHFFFAOYSA-N 0 0 237.328 2.326 50 0 BEAARN CC(C)[C@@H](C)NC(=O)c1ccnc(NC2CC2)c1 ZINC000058418906 167380495 /nfs/dbraw/zinc/38/04/95/167380495.db2.gz CBHSMCHHXOTIDL-SNVBAGLBSA-N 0 0 247.342 2.430 50 0 BEAARN CC(C)[C@@H](C)SCC(=O)NC1CCOCC1 ZINC000095403420 167387199 /nfs/dbraw/zinc/38/71/99/167387199.db2.gz OHTORKHJMNGYBX-SNVBAGLBSA-N 0 0 245.388 2.059 50 0 BEAARN CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)[O-] ZINC000082718251 167462545 /nfs/dbraw/zinc/46/25/45/167462545.db2.gz SJWXTVQPPWXIII-ZDUSSCGKSA-N 0 0 221.300 2.400 50 0 BEAARN CCN(CC)S(=O)(=O)c1cc(C)ccc1C ZINC000013939786 169794533 /nfs/dbraw/zinc/79/45/33/169794533.db2.gz PHWAYFLEWWELMH-UHFFFAOYSA-N 0 0 241.356 2.334 50 0 BEAARN CC(C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000005644706 167610990 /nfs/dbraw/zinc/61/09/90/167610990.db2.gz ZXLSSGIOVYZNJK-UHFFFAOYSA-N 0 0 227.329 2.060 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000044575025 411138286 /nfs/dbraw/zinc/13/82/86/411138286.db2.gz RKDGWGVZONGCQA-LDYMZIIASA-N 0 0 243.266 2.331 50 0 BEAARN CNC(=O)c1cccnc1Nc1cccc(F)c1 ZINC000044881124 411141526 /nfs/dbraw/zinc/14/15/26/411141526.db2.gz UUVLNMCPWSIKQH-UHFFFAOYSA-N 0 0 245.257 2.324 50 0 BEAARN Cc1cc(C(=O)N(C)[C@@H](C)CC(C)C)on1 ZINC000045088586 411144075 /nfs/dbraw/zinc/14/40/75/411144075.db2.gz LFOUNKFBRQGWSJ-JTQLQIEISA-N 0 0 224.304 2.490 50 0 BEAARN Cc1ccc(CNC(=O)Nc2cn[nH]c2)s1 ZINC000045677514 411147880 /nfs/dbraw/zinc/14/78/80/411147880.db2.gz JMFMIPDQLSKJJF-UHFFFAOYSA-N 0 0 236.300 2.101 50 0 BEAARN Cc1c([C@H](C)NC(=O)CCC(C)C)cnn1C ZINC000047492075 411122488 /nfs/dbraw/zinc/12/24/88/411122488.db2.gz UPOCFTNBFDOIAR-JTQLQIEISA-N 0 0 237.347 2.342 50 0 BEAARN Cn1c(C(=O)Nc2cc[nH]n2)cc2ccccc21 ZINC000049449558 411235310 /nfs/dbraw/zinc/23/53/10/411235310.db2.gz GFTMVNKYOVDLGO-UHFFFAOYSA-N 0 0 240.266 2.154 50 0 BEAARN CC/C=C(\C)C(=O)NCCCn1nc(C)cc1C ZINC000046041446 167834178 /nfs/dbraw/zinc/83/41/78/167834178.db2.gz APJQMUFNBLOKPS-YRNVUSSQSA-N 0 0 249.358 2.363 50 0 BEAARN CC1(C)CCCC2=C1C[C@@H]1C(=O)NC(=O)[C@@H]1C2 ZINC000100396598 167891925 /nfs/dbraw/zinc/89/19/25/167891925.db2.gz FCJRBRDWOJFBPA-ZJUUUORDSA-N 0 0 233.311 2.176 50 0 biogenic BEAARN CC1(C)[C@H](O)C[C@H]1OCc1ccccc1 ZINC000085508340 168008612 /nfs/dbraw/zinc/00/86/12/168008612.db2.gz BJKWKWODHKPZTO-VXGBXAGGSA-N 0 0 206.285 2.363 50 0 BEAARN CC1=NO[C@](C)(CNC(=O)Nc2ccccc2)C1 ZINC000064555967 168136056 /nfs/dbraw/zinc/13/60/56/168136056.db2.gz UFOHEDSVEPGCLZ-ZDUSSCGKSA-N 0 0 247.298 2.363 50 0 BEAARN CC1CCC(NC(=O)Nc2nncs2)CC1 ZINC000040525264 168162112 /nfs/dbraw/zinc/16/21/12/168162112.db2.gz ZAEOOEKQUMWFCK-UHFFFAOYSA-N 0 0 240.332 2.238 50 0 BEAARN CC1CCN(C(=O)CSC(F)(F)F)CC1 ZINC000040513837 168172699 /nfs/dbraw/zinc/17/26/99/168172699.db2.gz GHVVDRYXLJFHEI-UHFFFAOYSA-N 0 0 241.278 2.498 50 0 BEAARN CCC(=O)COc1nnc(-c2ccccc2)o1 ZINC000096484678 168209852 /nfs/dbraw/zinc/20/98/52/168209852.db2.gz UIIGXOITMXYXCM-UHFFFAOYSA-N 0 0 232.239 2.095 50 0 BEAARN CCC(=O)N1CCC(C(C)(F)F)CC1 ZINC000252502660 168215299 /nfs/dbraw/zinc/21/52/99/168215299.db2.gz USMVKSBTCKKWDP-UHFFFAOYSA-N 0 0 205.248 2.290 50 0 BEAARN CCC(=O)N1C(=O)OC[C@H]1c1ccccc1 ZINC000015021180 168215972 /nfs/dbraw/zinc/21/59/72/168215972.db2.gz TYZVFKRBBHHHSX-JTQLQIEISA-N 0 0 219.240 2.117 50 0 BEAARN CCC(=O)NCCc1cn(CC)c2ncccc12 ZINC000065163516 168229537 /nfs/dbraw/zinc/22/95/37/168229537.db2.gz XWGJOZMEEGWLHF-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000000200901 168235799 /nfs/dbraw/zinc/23/57/99/168235799.db2.gz GKNSZBXBYJYRPI-QMMMGPOBSA-N 0 0 217.272 2.150 50 0 BEAARN CCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000000200903 168239318 /nfs/dbraw/zinc/23/93/18/168239318.db2.gz GKNSZBXBYJYRPI-MRVPVSSYSA-N 0 0 217.272 2.150 50 0 BEAARN CCC(=O)Nc1cc2[nH]c(=O)cc(C)c2cc1C ZINC000013545109 168242610 /nfs/dbraw/zinc/24/26/10/168242610.db2.gz AUOJVBYBILOEAK-UHFFFAOYSA-N 0 0 244.294 2.493 50 0 biogenic BEAARN CCC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000030608416 168243318 /nfs/dbraw/zinc/24/33/18/168243318.db2.gz GEAVQABWXNCJED-UHFFFAOYSA-N 0 0 215.256 2.221 50 0 BEAARN CCC(=O)Nc1cc(OC)c(OC)cc1C ZINC000013019576 168243549 /nfs/dbraw/zinc/24/35/49/168243549.db2.gz NSAPSPWIRMCEDP-UHFFFAOYSA-N 0 0 223.272 2.361 50 0 BEAARN CCC(=O)Nc1ccc(N(CC)CC)nc1 ZINC000020360217 168244028 /nfs/dbraw/zinc/24/40/28/168244028.db2.gz JPYAXOHPYAGQFV-UHFFFAOYSA-N 0 0 221.304 2.276 50 0 BEAARN CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000014834296 168244207 /nfs/dbraw/zinc/24/42/07/168244207.db2.gz YUUABQBCVDLJLC-UHFFFAOYSA-N 0 0 246.310 2.271 50 0 BEAARN CCC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000000449540 168250820 /nfs/dbraw/zinc/25/08/20/168250820.db2.gz PMGQHBCQYOMSIH-UHFFFAOYSA-N 0 0 218.208 2.108 50 0 biogenic BEAARN CCC(=O)c1c(O)ccc2c(C)cc(=O)oc21 ZINC000000264270 168253546 /nfs/dbraw/zinc/25/35/46/168253546.db2.gz YTEBADYGXJZKDM-UHFFFAOYSA-N 0 0 232.235 2.400 50 0 biogenic BEAARN CCC(=O)c1cn(CC(=O)OC)c2ccccc12 ZINC000000560747 168259018 /nfs/dbraw/zinc/25/90/18/168259018.db2.gz KCCPHRCAGDHDCC-UHFFFAOYSA-N 0 0 245.278 2.407 50 0 BEAARN CCC(C)(C)COC(=O)c1ccc(OC)nn1 ZINC000096442995 168283961 /nfs/dbraw/zinc/28/39/61/168283961.db2.gz FHUZWLDEQWGJHP-UHFFFAOYSA-N 0 0 238.287 2.078 50 0 BEAARN CCC(C)(C)NC(=O)c1ccc2c(c1)OCO2 ZINC000000620324 168296907 /nfs/dbraw/zinc/29/69/07/168296907.db2.gz UKGNPYVYBSLOII-UHFFFAOYSA-N 0 0 235.283 2.334 50 0 BEAARN CCN(Cc1cccc(Cl)c1)S(C)(=O)=O ZINC000059019321 169910840 /nfs/dbraw/zinc/91/08/40/169910840.db2.gz HRMBWPJMTGIXTO-UHFFFAOYSA-N 0 0 247.747 2.122 50 0 BEAARN CCN(Cc1ccncc1)C(=O)[C@@H]1C[C@H]1C ZINC000006699187 169924616 /nfs/dbraw/zinc/92/46/16/169924616.db2.gz DZOOTTSAJHPHAU-ZYHUDNBSSA-N 0 0 218.300 2.086 50 0 BEAARN CCN1C(=O)S/C(=C/c2cccn2C)C1=O ZINC000004472258 169947631 /nfs/dbraw/zinc/94/76/31/169947631.db2.gz REJVUDCCHFACHG-VQHVLOKHSA-N 0 0 236.296 2.081 50 0 BEAARN CCNC(=O)/C=C(\C)c1ccc(F)cc1 ZINC000096035605 170042264 /nfs/dbraw/zinc/04/22/64/170042264.db2.gz YDUNYMLOTHBTKW-CMDGGOBGSA-N 0 0 207.248 2.365 50 0 BEAARN CCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000006046638 170042519 /nfs/dbraw/zinc/04/25/19/170042519.db2.gz BOJMLIRRLVOIRB-VMPITWQZSA-N 0 0 209.676 2.489 50 0 BEAARN CCNC(=O)N(Cc1ccccc1)CC(F)F ZINC000079068115 170072678 /nfs/dbraw/zinc/07/26/78/170072678.db2.gz MCESHVZIWNXQFM-UHFFFAOYSA-N 0 0 242.269 2.483 50 0 BEAARN CCNC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000069451299 170084386 /nfs/dbraw/zinc/08/43/86/170084386.db2.gz VCSCKEMWJGQNNT-UHFFFAOYSA-N 0 0 247.298 2.177 50 0 BEAARN CCNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000048488821 170085011 /nfs/dbraw/zinc/08/50/11/170085011.db2.gz ARPUOULFYYXVTG-UHFFFAOYSA-N 0 0 230.271 2.014 50 0 BEAARN CCNC(=O)[C@@H](C)Nc1ccc(C)cc1C ZINC000009379277 170088860 /nfs/dbraw/zinc/08/88/60/170088860.db2.gz QXCXEGYNKFMVKP-LLVKDONJSA-N 0 0 220.316 2.240 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000044901588 170090298 /nfs/dbraw/zinc/09/02/98/170090298.db2.gz SAVWQVQKLHEEEL-LLVKDONJSA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)c1cc(F)cc(Cl)c1 ZINC000261493393 170100087 /nfs/dbraw/zinc/10/00/87/170100087.db2.gz AFNYLOPFIRDBTR-UHFFFAOYSA-N 0 0 201.628 2.229 50 0 BEAARN CCNC(=O)c1cc(-c2ccccc2F)on1 ZINC000030040320 170099802 /nfs/dbraw/zinc/09/98/02/170099802.db2.gz LHCIZWYWXZLOHR-UHFFFAOYSA-N 0 0 234.230 2.230 50 0 BEAARN CCNC(=O)c1ccc(-c2ccco2)nc1C ZINC000069563555 170101310 /nfs/dbraw/zinc/10/13/10/170101310.db2.gz QOQWVZKHWLHTBU-UHFFFAOYSA-N 0 0 230.267 2.400 50 0 BEAARN CCNC(=O)c1ccc(OCC2CC2)cc1 ZINC000055111436 170102929 /nfs/dbraw/zinc/10/29/29/170102929.db2.gz AOSUMXKPIMBOAI-UHFFFAOYSA-N 0 0 219.284 2.225 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000013011744 170103385 /nfs/dbraw/zinc/10/33/85/170103385.db2.gz JWMDRRQNALENEU-JOYOIKCWSA-N 0 0 246.310 2.031 50 0 BEAARN CCNC(=S)Nc1nc2c(s1)CCCC2 ZINC000004577285 170106386 /nfs/dbraw/zinc/10/63/86/170106386.db2.gz CFUBCWDVNBKFFA-UHFFFAOYSA-N 0 0 241.385 2.328 50 0 BEAARN CCNC(=S)Nc1ccc(C(C)=O)cc1 ZINC000005234805 170106631 /nfs/dbraw/zinc/10/66/31/170106631.db2.gz PRHIVQMYEBPXTM-UHFFFAOYSA-N 0 0 222.313 2.196 50 0 BEAARN CCOC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000002951855 170184226 /nfs/dbraw/zinc/18/42/26/170184226.db2.gz SMCXLGABTAGWFH-UHFFFAOYSA-N 0 0 235.283 2.312 50 0 BEAARN CCOC(=O)C(=O)Nc1ccccc1C(C)C ZINC000001618409 170184325 /nfs/dbraw/zinc/18/43/25/170184325.db2.gz FOAJRCGDWYJLDV-UHFFFAOYSA-N 0 0 235.283 2.312 50 0 BEAARN CCOC(=O)C(=O)c1cc(C)c(C)cc1C ZINC000043209653 170184576 /nfs/dbraw/zinc/18/45/76/170184576.db2.gz PAYYIZNLYOSVAN-UHFFFAOYSA-N 0 0 220.268 2.358 50 0 BEAARN CCOC(=O)C(=O)c1cc(C)ccc1C ZINC000008700943 170184635 /nfs/dbraw/zinc/18/46/35/170184635.db2.gz SQJHKEYGAQOGPH-UHFFFAOYSA-N 0 0 206.241 2.049 50 0 BEAARN CCOC(=O)C(=O)c1cccc(C)c1C ZINC000075865757 170184826 /nfs/dbraw/zinc/18/48/26/170184826.db2.gz IQUBZBOEQKFGSX-UHFFFAOYSA-N 0 0 206.241 2.049 50 0 BEAARN CCOC(=O)C(F)(F)c1ccccc1OC ZINC000038537393 170189229 /nfs/dbraw/zinc/18/92/29/170189229.db2.gz ZYZZZXOHDXPMGK-UHFFFAOYSA-N 0 0 230.210 2.350 50 0 BEAARN CCOC(=O)C(NC(=O)c1ccccc1)=C(C)C ZINC000003159091 170189269 /nfs/dbraw/zinc/18/92/69/170189269.db2.gz IHOXCOFHQSPDIR-UHFFFAOYSA-N 0 0 247.294 2.273 50 0 BEAARN CCOC(=O)C1(C(=O)c2ccccc2)CC1 ZINC000034199738 170189983 /nfs/dbraw/zinc/18/99/83/170189983.db2.gz BSICOONDGJJXCW-UHFFFAOYSA-N 0 0 218.252 2.213 50 0 BEAARN CCOC(=O)C1=NOC2(C1)CCCCC2 ZINC000095642877 170192234 /nfs/dbraw/zinc/19/22/34/170192234.db2.gz KNTMLCGAAQJEQZ-UHFFFAOYSA-N 0 0 211.261 2.029 50 0 BEAARN CCOC(=O)CC(=O)Cc1cc(C)cc(C)c1 ZINC000053749816 170193942 /nfs/dbraw/zinc/19/39/42/170193942.db2.gz HPZYGPRGDUEQCK-UHFFFAOYSA-N 0 0 234.295 2.368 50 0 BEAARN CCOC(=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000001441471 170197305 /nfs/dbraw/zinc/19/73/05/170197305.db2.gz NEGQZYYDIHYHMQ-UHFFFAOYSA-N 0 0 241.674 2.232 50 0 BEAARN CCOC(=O)CCCC(=O)C1CCCC1 ZINC000002379029 170198887 /nfs/dbraw/zinc/19/88/87/170198887.db2.gz NRMVAQXDOTYGBH-UHFFFAOYSA-N 0 0 212.289 2.479 50 0 BEAARN CCOC(=O)CCc1ccc2c(c1)NC(=O)CC2 ZINC000003845232 170212423 /nfs/dbraw/zinc/21/24/23/170212423.db2.gz CAWBULKPEUITAY-UHFFFAOYSA-N 0 0 247.294 2.067 50 0 biogenic,in-vitro BEAARN CCOC(=O)CN(C)Cc1c[nH]c2ccccc12 ZINC000061707504 170214553 /nfs/dbraw/zinc/21/45/53/170214553.db2.gz CFTKRDGTCUSSMY-UHFFFAOYSA-N 0 0 246.310 2.163 50 0 aggregator BEAARN CCOC(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000042635271 170216229 /nfs/dbraw/zinc/21/62/29/170216229.db2.gz NGAUZZFSEGBMCE-CYBMUJFWSA-N 0 0 233.311 2.169 50 0 BEAARN CCOC(=O)COc1ccc(OCC)cc1 ZINC000034936991 170228822 /nfs/dbraw/zinc/22/88/22/170228822.db2.gz YLUHBBCPEGEXPB-UHFFFAOYSA-N 0 0 224.256 2.027 50 0 BEAARN CCOC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000116144607 170235505 /nfs/dbraw/zinc/23/55/05/170235505.db2.gz XMPHNIJIUGQZCC-UHFFFAOYSA-N 0 0 233.189 2.206 50 0 BEAARN CCOC(=O)Cc1n[nH]c(=S)c2ccccc12 ZINC000001245897 170235941 /nfs/dbraw/zinc/23/59/41/170235941.db2.gz DTKFOQUAAPALAL-UHFFFAOYSA-N 0 0 248.307 2.398 50 0 BEAARN CCOC(=O)N(CCc1ccccc1)C(C)=O ZINC000000410004 170238626 /nfs/dbraw/zinc/23/86/26/170238626.db2.gz RMIQQDHHQWEHII-UHFFFAOYSA-N 0 0 235.283 2.234 50 0 BEAARN CCOC(=O)NC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000018191153 170241069 /nfs/dbraw/zinc/24/10/69/170241069.db2.gz GAEUDCPVCVEDNK-DTORHVGOSA-N 0 0 244.360 2.280 50 0 BEAARN CCOC(=O)NC[C@@H](OC)c1ccccc1C ZINC000096104901 170242414 /nfs/dbraw/zinc/24/24/14/170242414.db2.gz HLEANHNMLHUQDF-GFCCVEGCSA-N 0 0 237.299 2.429 50 0 BEAARN CCOC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000005859875 170242857 /nfs/dbraw/zinc/24/28/57/170242857.db2.gz ZNANHQAORSEWTJ-UHFFFAOYSA-N 0 0 237.255 2.350 50 0 BEAARN CCOC(=O)Nc1nc2cc(OC)ccc2[nH]1 ZINC000043191550 170243720 /nfs/dbraw/zinc/24/37/20/170243720.db2.gz RBDQJYMDVBHECK-UHFFFAOYSA-N 0 0 235.243 2.140 50 0 BEAARN CCOC(=O)[C@@H](C)Oc1ccccc1F ZINC000055487615 170248557 /nfs/dbraw/zinc/24/85/57/170248557.db2.gz APSOLVJFFLPJAW-MRVPVSSYSA-N 0 0 212.220 2.156 50 0 BEAARN CCOC(=O)[C@@H](O)[C@@H](C)c1c[nH]c2ccccc21 ZINC000044122706 170256457 /nfs/dbraw/zinc/25/64/57/170256457.db2.gz BIFYNMVQOPJLSO-ZANVPECISA-N 0 0 247.294 2.195 50 0 BEAARN CCOC(=O)C1=C(O)C2C[C@H]3CC1C[C@@H](C2)C3 ZINC000072233421 170256517 /nfs/dbraw/zinc/25/65/17/170256517.db2.gz YKVJWMKLQRKVNG-GSRULGPHSA-N 0 0 236.311 2.191 50 0 BEAARN CCOC(=O)[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000050976380 170256695 /nfs/dbraw/zinc/25/66/95/170256695.db2.gz ZNSRYRUHAPLUPG-VIFPVBQESA-N 0 0 232.638 2.076 50 0 BEAARN CCOC(=O)C1=C(O)[C@@H](c2ccccc2)CC1 ZINC000075629565 170259150 /nfs/dbraw/zinc/25/91/50/170259150.db2.gz LRSQKGAKYUHQNQ-VXGBXAGGSA-N 0 0 232.279 2.312 50 0 BEAARN CCOC(=O)[C@@H]1ON=C(CC)[C@@H]1c1ccccc1 ZINC000071773934 170260503 /nfs/dbraw/zinc/26/05/03/170260503.db2.gz XVAJFVZQMHAHHL-QWHCGFSZSA-N 0 0 247.294 2.498 50 0 BEAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCCN1 ZINC000217039067 170263137 /nfs/dbraw/zinc/26/31/37/170263137.db2.gz JNYUQDQJTBQRCJ-HNNXBMFYSA-N 0 0 247.338 2.305 50 0 BEAARN CCOC(=O)[C@H](C)NC(=O)C[C@H](C)C(C)(C)C ZINC000084791184 170267916 /nfs/dbraw/zinc/26/79/16/170267916.db2.gz XNAKQQFUKBGYFY-UWVGGRQHSA-N 0 0 243.347 2.127 50 0 BEAARN CCOC(=O)[C@H](C)Nc1ccc2oc(C)nc2c1 ZINC000071908357 170269228 /nfs/dbraw/zinc/26/92/28/170269228.db2.gz XMQRCXFGLOXKLJ-QMMMGPOBSA-N 0 0 248.282 2.500 50 0 BEAARN CCOC(=O)[C@H](CCC(C)C)C(C)=O ZINC000001702412 170272865 /nfs/dbraw/zinc/27/28/65/170272865.db2.gz PISGMHLBJJGKRM-SNVBAGLBSA-N 0 0 200.278 2.191 50 0 BEAARN CCOC(=O)[C@H](F)P(=O)(OCC)OCC ZINC000003199687 170274078 /nfs/dbraw/zinc/27/40/78/170274078.db2.gz FVPISMANESAJQZ-SSDOTTSWSA-N 0 0 242.183 2.111 50 0 BEAARN CCOC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000000056823 170281552 /nfs/dbraw/zinc/28/15/52/170281552.db2.gz FLASAKCDOWUBQX-CYBMUJFWSA-N 0 0 233.311 2.214 50 0 BEAARN CCOC(=O)[C@]1(C)CCc2ccccc2C1=O ZINC000000391465 170285759 /nfs/dbraw/zinc/28/57/59/170285759.db2.gz ALLAHYCMLCUBEM-CQSZACIVSA-N 0 0 232.279 2.385 50 0 BEAARN CCOC(=O)c1c(F)cc(C)cc1F ZINC000082046571 170288029 /nfs/dbraw/zinc/28/80/29/170288029.db2.gz NYMDJGOYSVJFHR-UHFFFAOYSA-N 0 0 200.184 2.450 50 0 BEAARN CCOC(=O)c1c(C)nc2ccc(C)cn21 ZINC000002508420 170288035 /nfs/dbraw/zinc/28/80/35/170288035.db2.gz WSVDYQIPNOBWDU-UHFFFAOYSA-N 0 0 218.256 2.128 50 0 BEAARN CCOC(=O)c1c(F)ccc(F)c1F ZINC000044200363 170288089 /nfs/dbraw/zinc/28/80/89/170288089.db2.gz KTSYUGKWNTYIGK-UHFFFAOYSA-N 0 0 204.147 2.281 50 0 BEAARN CCOC(=O)c1c(C)oc(C)c1C(=O)OCC ZINC000000399949 170288629 /nfs/dbraw/zinc/28/86/29/170288629.db2.gz AXFRLGGVPMYNMU-UHFFFAOYSA-N 0 0 240.255 2.250 50 0 BEAARN CCOC(=O)c1c(Cl)nccc1OCC ZINC000038538092 170289141 /nfs/dbraw/zinc/28/91/41/170289141.db2.gz YJRAXXFDDAXRBD-UHFFFAOYSA-N 0 0 229.663 2.310 50 0 BEAARN CCOC(=O)c1c(C)c(C(=O)CC)sc1N ZINC000051353974 170289245 /nfs/dbraw/zinc/28/92/45/170289245.db2.gz LODXFLDPLGJZJL-UHFFFAOYSA-N 0 0 241.312 2.408 50 0 BEAARN CCOC(=O)c1cc(C(C)=O)n2ccccc12 ZINC000000365943 170291236 /nfs/dbraw/zinc/29/12/36/170291236.db2.gz BEZNZGODEBOELN-UHFFFAOYSA-N 0 0 231.251 2.319 50 0 BEAARN CCOC(=O)c1cc(C(F)(F)F)nn1CC ZINC000002552521 170291283 /nfs/dbraw/zinc/29/12/83/170291283.db2.gz JXBLALWEXAHXNR-UHFFFAOYSA-N 0 0 236.193 2.099 50 0 BEAARN CCOC(=O)c1cc(F)c(F)c(F)c1F ZINC000002389508 170292249 /nfs/dbraw/zinc/29/22/49/170292249.db2.gz SBHMXBYMQZRRLC-UHFFFAOYSA-N 0 0 222.137 2.420 50 0 BEAARN CCOC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000000210121 170293881 /nfs/dbraw/zinc/29/38/81/170293881.db2.gz NPIUAXNFAUGNHP-UHFFFAOYSA-N 0 0 219.240 2.353 50 0 BEAARN CCOC(=O)c1cc2cc(Cl)ccn2n1 ZINC000170642717 170293914 /nfs/dbraw/zinc/29/39/14/170293914.db2.gz DRNRFNICAFDMOS-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1cc2c[nH]c(Cl)cc-2n1 ZINC000095919917 170294158 /nfs/dbraw/zinc/29/41/58/170294158.db2.gz PEKJGVITUPPRET-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1ccc(Br)cc1N ZINC000034254450 170294766 /nfs/dbraw/zinc/29/47/66/170294766.db2.gz NZNZIJUVSOCRDQ-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1ccc(-c2cncnc2)s1 ZINC000045028421 170294883 /nfs/dbraw/zinc/29/48/83/170294883.db2.gz OKAUXOMOMSHUTP-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN CCOC(=O)c1ccc(C(=O)c2ccco2)o1 ZINC000002392701 170295016 /nfs/dbraw/zinc/29/50/16/170295016.db2.gz HMAWONVKQVYXGO-UHFFFAOYSA-N 0 0 234.207 2.280 50 0 BEAARN CCOC(=O)c1ccc(NC(C)=O)cc1Cl ZINC000019933443 170296541 /nfs/dbraw/zinc/29/65/41/170296541.db2.gz FNOAORIHOQLQRO-UHFFFAOYSA-N 0 0 241.674 2.475 50 0 BEAARN CCOC(=O)c1ccc2c(c1)ncn2CC ZINC000059078606 170297761 /nfs/dbraw/zinc/29/77/61/170297761.db2.gz VPDMFCLAZAZCMR-UHFFFAOYSA-N 0 0 218.256 2.233 50 0 BEAARN CCOC(=O)c1ccc2ccncc2c1 ZINC000082046838 170298565 /nfs/dbraw/zinc/29/85/65/170298565.db2.gz SLGGUHTWKIMKSM-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1ccoc1C(F)(F)F ZINC000008253106 170300638 /nfs/dbraw/zinc/30/06/38/170300638.db2.gz VETYPAIUONGOHC-UHFFFAOYSA-N 0 0 208.135 2.475 50 0 BEAARN CCOC(=O)c1cn2cc(Cl)cc(C)c2n1 ZINC000082693402 170300717 /nfs/dbraw/zinc/30/07/17/170300717.db2.gz NBXYOUKYBONNSQ-UHFFFAOYSA-N 0 0 238.674 2.473 50 0 BEAARN CCOC(=O)c1cnc(Cl)c(N)c1Cl ZINC000040564703 170301861 /nfs/dbraw/zinc/30/18/61/170301861.db2.gz ORXJGLJHMZMKMH-UHFFFAOYSA-N 0 0 235.070 2.147 50 0 BEAARN CCOC(=O)c1cnc2ccc(O)cc2c1 ZINC000001691102 170302228 /nfs/dbraw/zinc/30/22/28/170302228.db2.gz PPAXVLCDNYNJJK-UHFFFAOYSA-N 0 0 217.224 2.117 50 0 BEAARN CCOC(=O)c1cncc(C(F)(F)F)c1 ZINC000035569890 170302811 /nfs/dbraw/zinc/30/28/11/170302811.db2.gz TTXCJFXCMQNOMR-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1cnccc1C(F)(F)F ZINC000047202984 170303478 /nfs/dbraw/zinc/30/34/78/170303478.db2.gz XVZBDRPKHUIVGB-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1coc(-c2ccc(O)cc2)n1 ZINC000002578118 170304440 /nfs/dbraw/zinc/30/44/40/170304440.db2.gz XILWQVZWGWQRNU-UHFFFAOYSA-N 0 0 233.223 2.224 50 0 BEAARN CCOC(=O)c1cscc1C(=O)OCC ZINC000038885928 170305734 /nfs/dbraw/zinc/30/57/34/170305734.db2.gz PJZOOQHKDLZCMD-UHFFFAOYSA-N 0 0 228.269 2.102 50 0 BEAARN CCOC(=O)c1nc(Cl)sc1C ZINC000072194267 170306476 /nfs/dbraw/zinc/30/64/76/170306476.db2.gz HPTJVXQXCVATIH-UHFFFAOYSA-N 0 0 205.666 2.282 50 0 BEAARN CCOC(=O)c1nc(-c2cccnc2)cs1 ZINC000042407103 170307072 /nfs/dbraw/zinc/30/70/72/170307072.db2.gz GJWZAEGHPYVLGW-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN CCOC(=O)c1nc2ccccc2nc1Cl ZINC000039201094 170308056 /nfs/dbraw/zinc/30/80/56/170308056.db2.gz YGTZHKWLTOJGOI-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1nnc(C(C)(C)C)s1 ZINC000002576104 170309461 /nfs/dbraw/zinc/30/94/61/170309461.db2.gz GCRDUWDFLNKPTC-UHFFFAOYSA-N 0 0 214.290 2.012 50 0 BEAARN CCOC(=O)c1oc2ccccc2c1N ZINC000002566857 170310936 /nfs/dbraw/zinc/31/09/36/170310936.db2.gz PWOARNMOPCOJEV-UHFFFAOYSA-N 0 0 205.213 2.192 50 0 BEAARN CCOC(=O)c1sc2ccc(C=O)cc2c1N ZINC000063110874 170311017 /nfs/dbraw/zinc/31/10/17/170311017.db2.gz HVEYBGLQTFAKTN-UHFFFAOYSA-N 0 0 249.291 2.473 50 0 BEAARN CCOC(=O)c1scnc1C(F)(F)F ZINC000034101580 170311233 /nfs/dbraw/zinc/31/12/33/170311233.db2.gz MLZQFBNVLJIBLJ-UHFFFAOYSA-N 0 0 225.191 2.339 50 0 BEAARN CCOC(OCC)[C@@H]1CCCO[C@@H]1OCC ZINC000001597858 170316384 /nfs/dbraw/zinc/31/63/84/170316384.db2.gz JYXYXACQZPSPRH-JQWIXIFHSA-N 0 0 232.320 2.175 50 0 BEAARN CCOC1CCN(C(=O)NC2CCCC2)CC1 ZINC000064554281 170331915 /nfs/dbraw/zinc/33/19/15/170331915.db2.gz VFEAXVUXPMTZCN-UHFFFAOYSA-N 0 0 240.347 2.140 50 0 BEAARN CCOCC(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000095989016 170338606 /nfs/dbraw/zinc/33/86/06/170338606.db2.gz XAGHEMPSIWFBMR-UHFFFAOYSA-N 0 0 245.681 2.478 50 0 BEAARN CCOCC(=O)N(CC)c1ccccc1 ZINC000002734469 170339291 /nfs/dbraw/zinc/33/92/91/170339291.db2.gz ZCWQZSCVUFTGST-UHFFFAOYSA-N 0 0 207.273 2.076 50 0 BEAARN CCOCC(=O)N[C@@H]1CCCC[C@@H]1SCC ZINC000096456049 170346934 /nfs/dbraw/zinc/34/69/34/170346934.db2.gz QJSWIDIUTOJGKL-MNOVXSKESA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)Nc1ccccc1OCC1CC1 ZINC000096419181 170348749 /nfs/dbraw/zinc/34/87/49/170348749.db2.gz UAEAYSKYFVAWPI-UHFFFAOYSA-N 0 0 249.310 2.450 50 0 BEAARN CCOCC(=O)Nc1cccc2cccnc21 ZINC000002069574 170349548 /nfs/dbraw/zinc/34/95/48/170349548.db2.gz WUOJSPXVSDKLTJ-UHFFFAOYSA-N 0 0 230.267 2.210 50 0 BEAARN CCOCCC(=O)Nc1cc(F)cc(F)c1 ZINC000004834747 170362752 /nfs/dbraw/zinc/36/27/52/170362752.db2.gz SWTBNSJDEHZCPW-UHFFFAOYSA-N 0 0 229.226 2.330 50 0 BEAARN CCOCCN(C=O)c1c(C)cccc1C ZINC000002272683 170392343 /nfs/dbraw/zinc/39/23/43/170392343.db2.gz GOEJGANLWCQHEP-UHFFFAOYSA-N 0 0 221.300 2.303 50 0 BEAARN CCOCCn1ccc2ccc(OC)cc2c1=O ZINC000097082640 170429936 /nfs/dbraw/zinc/42/99/36/170429936.db2.gz OGDAOMLWVBGMRW-UHFFFAOYSA-N 0 0 247.294 2.047 50 0 BEAARN CCONC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000024663660 170469245 /nfs/dbraw/zinc/46/92/45/170469245.db2.gz VWHFFNYLMYOARH-UHFFFAOYSA-N 0 0 232.283 2.466 50 0 BEAARN CCO[C@@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000040523421 170473991 /nfs/dbraw/zinc/47/39/91/170473991.db2.gz PYCPAPAWSJBDMI-IUCAKERBSA-N 0 0 227.329 2.350 50 0 BEAARN CCO[C@@H](C)c1nccn1C[C@H]1CCCO1 ZINC000097378334 170476842 /nfs/dbraw/zinc/47/68/42/170476842.db2.gz GIEUHGHMXAXHPG-WDEREUQCSA-N 0 0 224.304 2.160 50 0 BEAARN CCO[C@H](C)Oc1cc(OC)ccc1OC ZINC000044126022 170502329 /nfs/dbraw/zinc/50/23/29/170502329.db2.gz JLESWYRCADUCRK-VIFPVBQESA-N 0 0 226.272 2.465 50 0 BEAARN CCO[C@H](C)c1noc([C@H]2CCCOC2)n1 ZINC000089984973 170503078 /nfs/dbraw/zinc/50/30/78/170503078.db2.gz BQHWIFQXCJDEAA-BDAKNGLRSA-N 0 0 226.276 2.061 50 0 BEAARN CCOc1ccc(CSc2nc[nH]n2)cc1 ZINC000005686485 170547355 /nfs/dbraw/zinc/54/73/55/170547355.db2.gz RHFWKPARKARSTO-UHFFFAOYSA-N 0 0 235.312 2.496 50 0 BEAARN CCOc1ccc2c(c1)SC(=O)CN2 ZINC000019893029 170567522 /nfs/dbraw/zinc/56/75/22/170567522.db2.gz DCLYWFCZHZAJAH-UHFFFAOYSA-N 0 0 209.270 2.130 50 0 BEAARN CCOc1cccc(C(=O)Nc2cc(C)[nH]n2)c1 ZINC000048698352 170573174 /nfs/dbraw/zinc/57/31/74/170573174.db2.gz YKUNTFRQLCNEJB-UHFFFAOYSA-N 0 0 245.282 2.369 50 0 BEAARN CC[C@@H](C)C(=O)NCc1cccc(COC)c1 ZINC000040108422 170681033 /nfs/dbraw/zinc/68/10/33/170681033.db2.gz WYCXOXIHTPFZQN-LLVKDONJSA-N 0 0 235.327 2.495 50 0 BEAARN CC[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000000218093 170745124 /nfs/dbraw/zinc/74/51/24/170745124.db2.gz KZLUGLBSRLDCHB-MWLCHTKSSA-N 0 0 246.310 2.027 50 0 BEAARN CC[C@@H](Nc1ncccn1)c1cccnc1 ZINC000091593235 170917352 /nfs/dbraw/zinc/91/73/52/170917352.db2.gz ATPBCSPMGMZFTK-LLVKDONJSA-N 0 0 214.272 2.435 50 0 BEAARN CC[C@@H](O)c1nc2ccccc2n1CC ZINC000007548569 170938962 /nfs/dbraw/zinc/93/89/62/170938962.db2.gz AJDOYHPEDJFLKG-LLVKDONJSA-N 0 0 204.273 2.500 50 0 BEAARN CC[C@H]1CC[C@H](C(=O)NCCC(C)(C)O)CC1 ZINC000252536291 171030269 /nfs/dbraw/zinc/03/02/69/171030269.db2.gz IBQRMAYOXOSGMC-HAQNSBGRSA-N 0 0 241.375 2.480 50 0 BEAARN CC[C@@H]1CN(C(=O)c2ccc(C)s2)CCO1 ZINC000040062972 171070805 /nfs/dbraw/zinc/07/08/05/171070805.db2.gz UUTYVTJEFJQVRH-SNVBAGLBSA-N 0 0 239.340 2.308 50 0 BEAARN CC[C@@](C)(O)CNC(=O)Nc1ccccc1F ZINC000058195877 171181362 /nfs/dbraw/zinc/18/13/62/171181362.db2.gz FGOVMOGIAASPAP-GFCCVEGCSA-N 0 0 240.278 2.108 50 0 BEAARN CC[C@@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000018093925 171208076 /nfs/dbraw/zinc/20/80/76/171208076.db2.gz HTXUDEXIYYPGEV-NSHDSACASA-N 0 0 221.329 2.423 50 0 BEAARN CC[C@@]1(C)NC(=O)N(Cc2ccccc2C)C1=O ZINC000003345247 171208992 /nfs/dbraw/zinc/20/89/92/171208992.db2.gz BMPGALAYMDPMHS-CQSZACIVSA-N 0 0 246.310 2.216 50 0 BEAARN CC[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000000030461 171229456 /nfs/dbraw/zinc/22/94/56/171229456.db2.gz XNCVDGVEKBXSSH-KBPBESRZSA-N 0 0 247.338 2.475 50 0 BEAARN CC[C@H](C(C)=O)C(=O)Nc1ccccc1OC ZINC000000432812 171241992 /nfs/dbraw/zinc/24/19/92/171241992.db2.gz DMERTHSGUIITCG-SNVBAGLBSA-N 0 0 235.283 2.249 50 0 BEAARN CC[C@H](C)C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432835 171286481 /nfs/dbraw/zinc/28/64/81/171286481.db2.gz SMPOLFVHBCTPIZ-VHSXEESVSA-N 0 0 201.310 2.121 50 0 BEAARN CC[C@H](C)N(C)C(=O)Cc1cccc(N)c1 ZINC000052922391 171302038 /nfs/dbraw/zinc/30/20/38/171302038.db2.gz HBMGJOMRCYQUPK-JTQLQIEISA-N 0 0 220.316 2.068 50 0 BEAARN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1 ZINC000032013860 171310721 /nfs/dbraw/zinc/31/07/21/171310721.db2.gz GYCZQGPHLREAJS-NSHDSACASA-N 0 0 221.300 2.372 50 0 BEAARN CC[C@H](C)NC(=O)CCc1nc(C(C)C)no1 ZINC000040088737 171323205 /nfs/dbraw/zinc/32/32/05/171323205.db2.gz ICJHEZRCOJSVAZ-VIFPVBQESA-N 0 0 239.319 2.040 50 0 BEAARN CC[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC000058330294 171324215 /nfs/dbraw/zinc/32/42/15/171324215.db2.gz SKJWGZPRPRXBNN-NSHDSACASA-N 0 0 220.316 2.038 50 0 BEAARN CC[C@H](C)NC(=O)Nc1ccc(N(C)C)nc1 ZINC000048092040 171331141 /nfs/dbraw/zinc/33/11/41/171331141.db2.gz CJRCVBIPTAINQH-VIFPVBQESA-N 0 0 236.319 2.068 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(Cl)ccn1 ZINC000036804040 171336432 /nfs/dbraw/zinc/33/64/32/171336432.db2.gz YPOCXYXNRVHYJZ-ZETCQYMHSA-N 0 0 212.680 2.263 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(C)nc2onc(C)c21 ZINC000027338995 171336676 /nfs/dbraw/zinc/33/66/76/171336676.db2.gz JUTJXYWUVVAZDK-ZETCQYMHSA-N 0 0 247.298 2.368 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(Cl)o1 ZINC000012936635 171337256 /nfs/dbraw/zinc/33/72/56/171337256.db2.gz BUIGHCNWKUERKM-LURJTMIESA-N 0 0 201.653 2.461 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000010021319 171345037 /nfs/dbraw/zinc/34/50/37/171345037.db2.gz YGAOJDIAWNHGJP-ZETCQYMHSA-N 0 0 249.282 2.042 50 0 BEAARN CC[C@H](C)[C@@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000028117257 171381780 /nfs/dbraw/zinc/38/17/80/171381780.db2.gz GTKOHXKZTJRLKJ-ONGXEEELSA-N 0 0 238.331 2.490 50 0 BEAARN CC[C@H](C)[C@@](C)(O)CNc1ccccn1 ZINC000079002730 171382712 /nfs/dbraw/zinc/38/27/12/171382712.db2.gz OBFAPYFPDNKHGS-JQWIXIFHSA-N 0 0 208.305 2.291 50 0 BEAARN CC[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000013948958 171410147 /nfs/dbraw/zinc/41/01/47/171410147.db2.gz BJBFVXVGFMWRFF-VIFPVBQESA-N 0 0 227.329 2.108 50 0 BEAARN CC[C@H](C)c1ccc(O[C@H](C)C(N)=O)cc1 ZINC000009959529 171410416 /nfs/dbraw/zinc/41/04/16/171410416.db2.gz VPMWZLUFDOHJFC-VHSXEESVSA-N 0 0 221.300 2.453 50 0 BEAARN CC[C@H](C)c1ccccc1OCC(N)=O ZINC000044865909 171412429 /nfs/dbraw/zinc/41/24/29/171412429.db2.gz VIWFHGAOGXJZKT-VIFPVBQESA-N 0 0 207.273 2.064 50 0 BEAARN CC[C@@H](c1nnc(N)o1)c1ccccc1 ZINC000019398967 171599391 /nfs/dbraw/zinc/59/93/91/171599391.db2.gz USVJJRSFMVOUOL-SECBINFHSA-N 0 0 203.245 2.194 50 0 BEAARN CC[C@@H]1c2ccccc2CCN(C)C1=O ZINC000000387123 171600819 /nfs/dbraw/zinc/60/08/19/171600819.db2.gz JOYXRNAPLOGJCB-LLVKDONJSA-N 0 0 203.285 2.195 50 0 BEAARN CC[C@]1(C)Cc2ccccc2C(=CC(=O)NC)N1 ZINC000000322491 171721420 /nfs/dbraw/zinc/72/14/20/171721420.db2.gz CFXIRKHVEORDTD-UZGISAJGSA-N 0 0 244.338 2.088 50 0 biogenic BEAARN CCc1cc(C(=O)N[C@@H](C)COC)sc1C ZINC000040459907 171753668 /nfs/dbraw/zinc/75/36/68/171753668.db2.gz ZJHZWFWZBJGRME-QMMMGPOBSA-N 0 0 241.356 2.384 50 0 BEAARN CCc1cc(C(=O)Nc2ccc(OC)cc2)no1 ZINC000021775686 171755425 /nfs/dbraw/zinc/75/54/25/171755425.db2.gz GBVSRJFUGCNXLZ-UHFFFAOYSA-N 0 0 246.266 2.498 50 0 BEAARN CCc1cc(N[C@H]2CCSC2)n2nccc2n1 ZINC000072408538 171769720 /nfs/dbraw/zinc/76/97/20/171769720.db2.gz LFJUOADTONAHJA-JTQLQIEISA-N 0 0 248.355 2.209 50 0 BEAARN CCc1ccc(C(=O)N2CCSCC2)s1 ZINC000049208797 171784793 /nfs/dbraw/zinc/78/47/93/171784793.db2.gz YUZHONARXUSBDV-UHFFFAOYSA-N 0 0 241.381 2.500 50 0 BEAARN CCc1ccccc1-c1cnn(C)c1N ZINC000065467744 171870067 /nfs/dbraw/zinc/87/00/67/171870067.db2.gz VBKCOAUFLXGVJK-UHFFFAOYSA-N 0 0 201.273 2.232 50 0 BEAARN CCc1ncc([C@H](O)c2ccc(OC)cc2)n1C ZINC000000302107 172023880 /nfs/dbraw/zinc/02/38/80/172023880.db2.gz UOXVSZGTOYHQKZ-CQSZACIVSA-N 0 0 246.310 2.073 50 0 BEAARN CCc1nn2c(Cc3ccccc3)nnc2s1 ZINC000000385292 172044979 /nfs/dbraw/zinc/04/49/79/172044979.db2.gz BWJBBNOQQNLZOP-UHFFFAOYSA-N 0 0 244.323 2.339 50 0 BEAARN CCc1nnc(NC(=O)C[C@H]2C=CCC2)s1 ZINC000019680441 172057453 /nfs/dbraw/zinc/05/74/53/172057453.db2.gz HIXSXXZOKKSXGZ-QMMMGPOBSA-N 0 0 237.328 2.395 50 0 BEAARN CCC1N=NC(=S)N1c1cccc(OC)c1 ZINC000006395611 172062604 /nfs/dbraw/zinc/06/26/04/172062604.db2.gz DNBIKWNMGCMLAM-UHFFFAOYSA-N 0 0 235.312 2.127 50 0 BEAARN CCc1nnc(SCc2ccc(C)cc2)n1N ZINC000005413117 172062864 /nfs/dbraw/zinc/06/28/64/172062864.db2.gz MKDUBNLPRGSTDJ-UHFFFAOYSA-N 0 0 248.355 2.155 50 0 BEAARN CCc1nnsc1C(=O)NCc1ccccc1 ZINC000008060385 172071047 /nfs/dbraw/zinc/07/10/47/172071047.db2.gz ZVEOKHVLXJFSAJ-UHFFFAOYSA-N 0 0 247.323 2.031 50 0 BEAARN CCc1noc(-c2ccc(C(=O)OC)cc2)n1 ZINC000084845499 172072812 /nfs/dbraw/zinc/07/28/12/172072812.db2.gz ZEDYJJCOGRSZFM-UHFFFAOYSA-N 0 0 232.239 2.086 50 0 BEAARN CCc1noc(C(Cl)(Cl)Cl)n1 ZINC000068589897 172073674 /nfs/dbraw/zinc/07/36/74/172073674.db2.gz OPWLXADFMKMURJ-UHFFFAOYSA-N 0 0 215.467 2.459 50 0 BEAARN CCc1noc(C)c1C(=O)NCCC(C)C ZINC000016604400 172074235 /nfs/dbraw/zinc/07/42/35/172074235.db2.gz COJNSBFAENRGEP-UHFFFAOYSA-N 0 0 224.304 2.321 50 0 BEAARN CCc1noc(C)c1C(=O)NC1CCCC1 ZINC000008076304 172074454 /nfs/dbraw/zinc/07/44/54/172074454.db2.gz GEICLSVYOUNGAP-UHFFFAOYSA-N 0 0 222.288 2.218 50 0 BEAARN CCc1noc(C)c1C(=O)Nc1nccs1 ZINC000014019440 172075456 /nfs/dbraw/zinc/07/54/56/172075456.db2.gz NIAYNQHMXBFASK-UHFFFAOYSA-N 0 0 237.284 2.254 50 0 BEAARN CCc1noc(C)c1C(=O)NCc1ccco1 ZINC000013328525 172075712 /nfs/dbraw/zinc/07/57/12/172075712.db2.gz AHDMCUOZYWSQSY-UHFFFAOYSA-N 0 0 234.255 2.068 50 0 BEAARN CCc1noc(CC)c1CNC(=O)C1CC=CC1 ZINC000087431743 172083457 /nfs/dbraw/zinc/08/34/57/172083457.db2.gz QFWWCDCKYINIDC-UHFFFAOYSA-N 0 0 248.326 2.382 50 0 BEAARN CCc1noc(CN2CCc3ccccc3C2)n1 ZINC000032904937 172084794 /nfs/dbraw/zinc/08/47/94/172084794.db2.gz MFSIOPZRSJFIBK-UHFFFAOYSA-N 0 0 243.310 2.190 50 0 BEAARN CCc1noc(N)c1C(=O)Nc1ccc(F)cc1 ZINC000000112284 172086548 /nfs/dbraw/zinc/08/65/48/172086548.db2.gz WEOMENSPYNTVMM-UHFFFAOYSA-N 0 0 249.245 2.211 50 0 BEAARN CCc1noc([C@@H](C)Nc2cnn(CC)c2)n1 ZINC000097139940 172088877 /nfs/dbraw/zinc/08/88/77/172088877.db2.gz BDOIKVSINVPELC-MRVPVSSYSA-N 0 0 235.291 2.022 50 0 BEAARN CCc1nonc1NC(=O)c1ccccc1C ZINC000009200216 172103326 /nfs/dbraw/zinc/10/33/26/172103326.db2.gz OOLCOPUYVWBZJZ-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CCc1oc(C(=O)[O-])cc1C[NH+](CC)CC ZINC000000814651 172111633 /nfs/dbraw/zinc/11/16/33/172111633.db2.gz MMXNBMVJYDEHTF-UHFFFAOYSA-N 0 0 225.288 2.382 50 0 BEAARN CCn1c2cc(OC)c(OC)cc2sc1=N ZINC000225394611 172130366 /nfs/dbraw/zinc/13/03/66/172130366.db2.gz FAEFSWNCMFGIOG-UHFFFAOYSA-N 0 0 238.312 2.219 50 0 BEAARN CCn1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)cn1 ZINC000028575761 172152892 /nfs/dbraw/zinc/15/28/92/172152892.db2.gz CULIBIWFRVFQBQ-PHIMTYICSA-N 0 0 235.331 2.021 50 0 BEAARN CCn1cc(C(=O)NC2CCCCCC2)cn1 ZINC000002764341 172154139 /nfs/dbraw/zinc/15/41/39/172154139.db2.gz BITKCZFVENWWLU-UHFFFAOYSA-N 0 0 235.331 2.356 50 0 BEAARN CCn1cc(NC(=O)Nc2cccc(C)n2)cn1 ZINC000097142692 172181447 /nfs/dbraw/zinc/18/14/47/172181447.db2.gz OEGCFADMYJYGEK-UHFFFAOYSA-N 0 0 245.286 2.250 50 0 BEAARN CCn1cc(NC(=O)c2cc(Cl)c[nH]2)cn1 ZINC000027920214 172184603 /nfs/dbraw/zinc/18/46/03/172184603.db2.gz JTAVILJEOJIHRL-UHFFFAOYSA-N 0 0 238.678 2.137 50 0 BEAARN CCn1cc(OCC[C@@H]2CCCCO2)cn1 ZINC000225710803 172191316 /nfs/dbraw/zinc/19/13/16/172191316.db2.gz XSASSZMVHXBUQW-NSHDSACASA-N 0 0 224.304 2.241 50 0 BEAARN CCn1ccnc1C[C@@H]1COc2ccccc2O1 ZINC000003995466 172226104 /nfs/dbraw/zinc/22/61/04/172226104.db2.gz UXABARREKCJULM-LLVKDONJSA-N 0 0 244.294 2.286 50 0 in-man BEAARN CCn1nc(-c2cccs2)cc1C(=O)N(C)C ZINC000000123419 172240687 /nfs/dbraw/zinc/24/06/87/172240687.db2.gz WRFOQQKISZZCES-UHFFFAOYSA-N 0 0 249.339 2.333 50 0 BEAARN CCn1nc(C)c(C(=O)NCc2ccco2)c1C ZINC000027982889 172243216 /nfs/dbraw/zinc/24/32/16/172243216.db2.gz OWKPLUORGSNQKW-UHFFFAOYSA-N 0 0 247.298 2.043 50 0 BEAARN CCn1nc(C)c(N[C@@H]2CCO[C@H]2C)c1C ZINC000134510729 172248474 /nfs/dbraw/zinc/24/84/74/172248474.db2.gz YTOVUHDFMVESEQ-WDEREUQCSA-N 0 0 223.320 2.109 50 0 BEAARN CCn1nccc1/C=C(/C)c1cnccn1 ZINC000097098195 172255830 /nfs/dbraw/zinc/25/58/30/172255830.db2.gz NZTSQHLYZJTMKJ-NTMALXAHSA-N 0 0 214.272 2.254 50 0 BEAARN CCn1nccc1NC(=O)c1ccccc1C ZINC000012111616 172277611 /nfs/dbraw/zinc/27/76/11/172277611.db2.gz NAMNUOSKVLDWRF-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CCn1nccc1NC(=O)c1ccccc1OC ZINC000012062585 172277747 /nfs/dbraw/zinc/27/77/47/172277747.db2.gz AZEVNZHIZHDCLO-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN CN(C(=O)c1ccccn1)c1ccccc1 ZINC000032133055 172343279 /nfs/dbraw/zinc/34/32/79/172343279.db2.gz BUBUXKKHGVQAGY-UHFFFAOYSA-N 0 0 212.252 2.358 50 0 BEAARN CN(C(=O)c1ccncc1)[C@@H]1CCOC(C)(C)C1 ZINC000222705619 172344388 /nfs/dbraw/zinc/34/43/88/172344388.db2.gz DLIKZEXDZUCWOR-GFCCVEGCSA-N 0 0 248.326 2.111 50 0 BEAARN CN(C)/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000012341824 172350583 /nfs/dbraw/zinc/35/05/83/172350583.db2.gz VDVWOIQDIASKLD-NTMALXAHSA-N 0 0 248.307 2.289 50 0 BEAARN CN(C)C(=O)CCOc1ccc(Cl)cc1 ZINC000040534080 172361146 /nfs/dbraw/zinc/36/11/46/172361146.db2.gz ISVBBLCLEQNIES-UHFFFAOYSA-N 0 0 227.691 2.197 50 0 BEAARN CN(C)C(=O)CSc1nc2ccccc2o1 ZINC000003266301 172374048 /nfs/dbraw/zinc/37/40/48/172374048.db2.gz BHEKTJQEVMNKNM-UHFFFAOYSA-N 0 0 236.296 2.008 50 0 BEAARN CN(C)C(=O)Nc1cc(F)cc(F)c1 ZINC000004834746 172382883 /nfs/dbraw/zinc/38/28/83/172382883.db2.gz LGYWZWVXJPZZOI-UHFFFAOYSA-N 0 0 200.188 2.058 50 0 BEAARN CN(C)C(=O)c1cc(-c2ccccc2F)on1 ZINC000030034087 172387967 /nfs/dbraw/zinc/38/79/67/172387967.db2.gz BQAWRHFLNGXIKZ-UHFFFAOYSA-N 0 0 234.230 2.183 50 0 BEAARN CN(C)C(=O)c1cc2cc(N)ccc2s1 ZINC000019093304 172388757 /nfs/dbraw/zinc/38/87/57/172388757.db2.gz GJEWXBDQJPCQOR-UHFFFAOYSA-N 0 0 220.297 2.185 50 0 BEAARN CN(C)C(=O)c1cc2c(s1)CCCC2 ZINC000032719950 172388801 /nfs/dbraw/zinc/38/88/01/172388801.db2.gz SPAPFGKKSAEHAM-UHFFFAOYSA-N 0 0 209.314 2.329 50 0 BEAARN CN(C)C(=O)c1cc(F)ccc1Br ZINC000016159679 172388816 /nfs/dbraw/zinc/38/88/16/172388816.db2.gz DJIURYDAGNDRMF-UHFFFAOYSA-N 0 0 246.079 2.290 50 0 BEAARN CN(C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000000474854 172555606 /nfs/dbraw/zinc/55/56/06/172555606.db2.gz DDGFJUSQDKWNNS-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN CN(CC(=O)N1CCCCC1)c1ccccc1 ZINC000033005451 172604889 /nfs/dbraw/zinc/60/48/89/172604889.db2.gz ZEULBUZDQBZXEN-UHFFFAOYSA-N 0 0 232.327 2.135 50 0 BEAARN CN(CCC1(O)CCCC1)C(=O)c1ccoc1 ZINC000067742976 172680355 /nfs/dbraw/zinc/68/03/55/172680355.db2.gz VTABSUQAUGESHI-UHFFFAOYSA-N 0 0 237.299 2.047 50 0 BEAARN CN(CCc1ccccn1)C(=O)c1ccccc1 ZINC000000859193 172784075 /nfs/dbraw/zinc/78/40/75/172784075.db2.gz ODNBJUNZVHSOQB-UHFFFAOYSA-N 0 0 240.306 2.396 50 0 BEAARN CN1CCN(c2nc3ccccc3s2)CC1 ZINC000000022035 173096444 /nfs/dbraw/zinc/09/64/44/173096444.db2.gz DZERTEQKWVKWJP-UHFFFAOYSA-N 0 0 233.340 2.048 50 0 BEAARN CN1CC[C@@H](SCCc2ccccc2)C1=O ZINC000095431613 173127477 /nfs/dbraw/zinc/12/74/77/173127477.db2.gz QXNBQLSURQZRNU-GFCCVEGCSA-N 0 0 235.352 2.193 50 0 BEAARN CN1CC[C@H](Sc2cccs2)C1=O ZINC000089375057 173156425 /nfs/dbraw/zinc/15/64/25/173156425.db2.gz VOZQZUGIQMQAQR-ZETCQYMHSA-N 0 0 213.327 2.071 50 0 BEAARN CN1CCc2cc(Br)ccc21 ZINC000012370603 173169599 /nfs/dbraw/zinc/16/95/99/173169599.db2.gz YIRSVRZXIXHOSN-UHFFFAOYSA-N 0 0 212.090 2.441 50 0 BEAARN CN1CCn2c3ccc(Cl)cc3nc2C1 ZINC000021799915 173177408 /nfs/dbraw/zinc/17/74/08/173177408.db2.gz RWFQQNPYWPRTEB-UHFFFAOYSA-N 0 0 221.691 2.135 50 0 BEAARN CN1c2ccccc2C(C)(C)[C@]12CCCC(=O)N2 ZINC000000517715 173208778 /nfs/dbraw/zinc/20/87/78/173208778.db2.gz FNUNAZPEIZDMSI-HNNXBMFYSA-N 0 0 244.338 2.410 50 0 biogenic BEAARN CNC(=O)CCSCc1ccccc1 ZINC000007685557 173263602 /nfs/dbraw/zinc/26/36/02/173263602.db2.gz YLMFGPYVFRJTHP-UHFFFAOYSA-N 0 0 209.314 2.056 50 0 BEAARN CNC(=O)COc1c(C)cc(SC)cc1C ZINC000004843050 173278942 /nfs/dbraw/zinc/27/89/42/173278942.db2.gz WEEZHVOJYCIDOU-UHFFFAOYSA-N 0 0 239.340 2.150 50 0 BEAARN CNC(=O)COc1cc(C(C)C)ccc1C ZINC000010025295 173279330 /nfs/dbraw/zinc/27/93/30/173279330.db2.gz NZSFDBPTJUKRKX-UHFFFAOYSA-N 0 0 221.300 2.243 50 0 BEAARN CNC(=O)CSC[C@@H](C)c1ccccc1 ZINC000096496223 173279767 /nfs/dbraw/zinc/27/97/67/173279767.db2.gz ZZWSFJUIYYTLEG-SNVBAGLBSA-N 0 0 223.341 2.269 50 0 BEAARN CNC(=O)N(C)c1nc2ccccc2s1 ZINC000000900532 173284312 /nfs/dbraw/zinc/28/43/12/173284312.db2.gz RRVIAQKBTUQODI-UHFFFAOYSA-N 0 0 221.285 2.072 50 0 in-vitro BEAARN CNC(=O)N1CCC[C@H]1c1ccsc1 ZINC000044970598 173284949 /nfs/dbraw/zinc/28/49/49/173284949.db2.gz SROYXQDXWAVYDT-VIFPVBQESA-N 0 0 210.302 2.224 50 0 BEAARN CNC(=O)N[C@H](C)c1nc(-c2ccccc2)c[nH]1 ZINC000058161673 173292475 /nfs/dbraw/zinc/29/24/75/173292475.db2.gz VRQUGBDTCWXJDW-SECBINFHSA-N 0 0 244.298 2.067 50 0 BEAARN CNC(=O)Nc1ccc(Br)cc1 ZINC000000397228 173292598 /nfs/dbraw/zinc/29/25/98/173292598.db2.gz OKUKWIIEAXKUDI-UHFFFAOYSA-N 0 0 229.077 2.200 50 0 BEAARN CNC(=O)Nc1nc2c(cccc2C)s1 ZINC000006217812 173293251 /nfs/dbraw/zinc/29/32/51/173293251.db2.gz HFTGYZNVIKLVCA-UHFFFAOYSA-N 0 0 221.285 2.356 50 0 BEAARN CNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000095404070 173308454 /nfs/dbraw/zinc/30/84/54/173308454.db2.gz PNPLLXYCHPWYRE-TZMCWYRMSA-N 0 0 215.296 2.027 50 0 BEAARN CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000011151138 173309145 /nfs/dbraw/zinc/30/91/45/173309145.db2.gz ZISCLHBKOGZIOR-UHFFFAOYSA-N 0 0 235.674 2.090 50 0 BEAARN CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000014190485 173309676 /nfs/dbraw/zinc/30/96/76/173309676.db2.gz RVIFPLWMFSSOCH-UHFFFAOYSA-N 0 0 222.046 2.492 50 0 BEAARN CNC(=O)c1ccc(-c2ccccc2)o1 ZINC000038212736 173310078 /nfs/dbraw/zinc/31/00/78/173310078.db2.gz HSHQEVHUYMVGBD-UHFFFAOYSA-N 0 0 201.225 2.306 50 0 BEAARN CNC(=O)c1ccc(-c2ccc(OC)cc2)o1 ZINC000064551487 173310201 /nfs/dbraw/zinc/31/02/01/173310201.db2.gz AOZISRSNCNIEPV-UHFFFAOYSA-N 0 0 231.251 2.315 50 0 BEAARN CNC(=O)c1cc2c(s1)CCCCC2 ZINC000007038904 173310217 /nfs/dbraw/zinc/31/02/17/173310217.db2.gz XDBLSYIGBZGLSA-UHFFFAOYSA-N 0 0 209.314 2.377 50 0 BEAARN CNC(=O)c1ccc(C)c(NC(=O)C=C(C)C)c1 ZINC000040509206 173310652 /nfs/dbraw/zinc/31/06/52/173310652.db2.gz BPTTWUAJSHIONV-UHFFFAOYSA-N 0 0 246.310 2.259 50 0 BEAARN CNC(=O)c1ccc2c3c(cccc31)CC2 ZINC000011236724 173311442 /nfs/dbraw/zinc/31/14/42/173311442.db2.gz VXKRMBUWQKGONE-UHFFFAOYSA-N 0 0 211.264 2.298 50 0 BEAARN CNC(=O)c1sc(C2CCCC2)nc1C ZINC000095364769 173315379 /nfs/dbraw/zinc/31/53/79/173315379.db2.gz UITDKBOHRXWUHR-UHFFFAOYSA-N 0 0 224.329 2.469 50 0 BEAARN CNC(=S)NC1CCCCCCC1 ZINC000006333232 173315871 /nfs/dbraw/zinc/31/58/71/173315871.db2.gz NBHWEYAWXOJHGP-UHFFFAOYSA-N 0 0 200.351 2.193 50 0 BEAARN CNC(=S)NCCc1c(C)[nH]c2ccccc21 ZINC000005033413 173315961 /nfs/dbraw/zinc/31/59/61/173315961.db2.gz CLJBRFBCWBQAJS-UHFFFAOYSA-N 0 0 247.367 2.113 50 0 BEAARN C[NH2+]Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000082725285 173387601 /nfs/dbraw/zinc/38/76/01/173387601.db2.gz OIPXOJUMAJPRBJ-UHFFFAOYSA-N 0 0 206.072 2.418 50 0 BEAARN CNc1ccc(I)cc1 ZINC000020359124 173479269 /nfs/dbraw/zinc/47/92/69/173479269.db2.gz IZVRDZGBMDYYQT-UHFFFAOYSA-N 0 0 233.052 2.333 50 0 BEAARN CO/C=C(\Oc1ccccc1C)C(=O)OC ZINC000004648737 173491288 /nfs/dbraw/zinc/49/12/88/173491288.db2.gz DDILYMIVQHECQR-FLIBITNWSA-N 0 0 222.240 2.035 50 0 BEAARN COC(=O)CCCCCCCCCO ZINC000002561351 173530598 /nfs/dbraw/zinc/53/05/98/173530598.db2.gz NFJQGHRDVMDLKM-UHFFFAOYSA-N 0 0 202.294 2.273 50 0 BEAARN COC(=O)CCCc1nc(C)c(C(C)=O)s1 ZINC000242273700 173547680 /nfs/dbraw/zinc/54/76/80/173547680.db2.gz YFDCUYRMUUTQLC-UHFFFAOYSA-N 0 0 241.312 2.150 50 0 BEAARN COC(=O)CNc1ccccc1OC(C)(C)C ZINC000096406570 173610795 /nfs/dbraw/zinc/61/07/95/173610795.db2.gz ADLBPVOAUUEISC-UHFFFAOYSA-N 0 0 237.299 2.449 50 0 BEAARN COC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000001456866 173789281 /nfs/dbraw/zinc/78/92/81/173789281.db2.gz VQMNXJAGDIIVIN-JTQLQIEISA-N 0 0 208.257 2.244 50 0 BEAARN COC(=O)c1c(C)[nH]c(C)c1Br ZINC000000165872 173842012 /nfs/dbraw/zinc/84/20/12/173842012.db2.gz LGBDYFSMZPRVLL-UHFFFAOYSA-N 0 0 232.077 2.181 50 0 BEAARN COC(=O)c1cc(F)c(Br)cc1O ZINC000085210579 173858287 /nfs/dbraw/zinc/85/82/87/173858287.db2.gz WCXWROSPLXHQFI-UHFFFAOYSA-N 0 0 249.035 2.080 50 0 BEAARN COC(=O)c1cc(F)cc(Br)c1 ZINC000015442970 173859282 /nfs/dbraw/zinc/85/92/82/173859282.db2.gz JERAACCIOWRRQA-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN COC(=O)c1cc(O)c2c(c1)CCCC2 ZINC000039419331 173861217 /nfs/dbraw/zinc/86/12/17/173861217.db2.gz XAINZGNJMZZXKT-UHFFFAOYSA-N 0 0 206.241 2.058 50 0 BEAARN COC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C ZINC000073193848 173898634 /nfs/dbraw/zinc/89/86/34/173898634.db2.gz JSLIOTYZZRXGLQ-YUMQZZPRSA-N 0 0 206.241 2.358 50 0 BEAARN COC(=O)c1ccoc1COc1ccc(C)cn1 ZINC000077240573 173903893 /nfs/dbraw/zinc/90/38/93/173903893.db2.gz JPWNZCXBXOKNDG-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN COC(=O)c1nc(N)sc1Cc1ccccc1 ZINC000066442690 173914934 /nfs/dbraw/zinc/91/49/34/173914934.db2.gz SYBQNCMETFYWLO-UHFFFAOYSA-N 0 0 248.307 2.103 50 0 BEAARN COC(=O)c1ncoc1-c1ccccc1F ZINC000097756863 173917864 /nfs/dbraw/zinc/91/78/64/173917864.db2.gz HFWAFZUMBFHRDN-UHFFFAOYSA-N 0 0 221.187 2.267 50 0 BEAARN COC(C)(C)c1noc(-c2cccc(C)n2)n1 ZINC000072312883 173955062 /nfs/dbraw/zinc/95/50/62/173955062.db2.gz ZGDPKKJRFJGNCM-UHFFFAOYSA-N 0 0 233.271 2.322 50 0 BEAARN COC1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000065436096 174025607 /nfs/dbraw/zinc/02/56/07/174025607.db2.gz JTRBLEBIAXELLI-UHFFFAOYSA-N 0 0 221.304 2.355 50 0 BEAARN COC1CCN(C(=O)c2ccccc2F)CC1 ZINC000037979460 174026297 /nfs/dbraw/zinc/02/62/97/174026297.db2.gz JBDOTFCBPHTRMW-UHFFFAOYSA-N 0 0 237.274 2.077 50 0 BEAARN COCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000040490108 174038800 /nfs/dbraw/zinc/03/88/00/174038800.db2.gz JRMJYROEBJLIBU-CYBMUJFWSA-N 0 0 233.311 2.169 50 0 BEAARN COCC(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000040534903 174055584 /nfs/dbraw/zinc/05/55/84/174055584.db2.gz IJLCLLIYDCOZGI-SECBINFHSA-N 0 0 241.718 2.034 50 0 BEAARN COCC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000045868396 174055817 /nfs/dbraw/zinc/05/58/17/174055817.db2.gz RVXXGELHNUTCHH-SECBINFHSA-N 0 0 233.267 2.256 50 0 BEAARN COCC(=O)Nc1ccc(C)cc1Cl ZINC000012894623 174058282 /nfs/dbraw/zinc/05/82/82/174058282.db2.gz YMECMCNZZVJRGH-UHFFFAOYSA-N 0 0 213.664 2.233 50 0 BEAARN COCC(C)(C)CNC(=O)[C@H]1CC=CCC1 ZINC000067856009 174070720 /nfs/dbraw/zinc/07/07/20/174070720.db2.gz ZZUJORDCIVWZGP-NSHDSACASA-N 0 0 225.332 2.132 50 0 BEAARN Cc1noc(NCc2ccc(F)cc2F)n1 ZINC000095445186 322930948 /nfs/dbraw/zinc/93/09/48/322930948.db2.gz BPPDDMOGDNWGSJ-UHFFFAOYSA-N 0 0 225.198 2.268 50 0 BEAARN COCCC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000096446371 174132034 /nfs/dbraw/zinc/13/20/34/174132034.db2.gz GGQNZUHWIVWBSJ-RYUDHWBXSA-N 0 0 235.327 2.331 50 0 BEAARN COCCCCC(=O)Nc1cccc(C)c1O ZINC000079014443 174174299 /nfs/dbraw/zinc/17/42/99/174174299.db2.gz ZVRQXXYTBAJEBR-UHFFFAOYSA-N 0 0 237.299 2.456 50 0 BEAARN COCCCC[S@](=O)c1ccoc1C ZINC000189645330 174208090 /nfs/dbraw/zinc/20/80/90/174208090.db2.gz GCTZRLVNFHXXKN-AWEZNQCLSA-N 0 0 216.302 2.122 50 0 BEAARN COCCCCn1cnc2ccccc21 ZINC000131419943 174209646 /nfs/dbraw/zinc/20/96/46/174209646.db2.gz AWGPKTRSKBENIF-UHFFFAOYSA-N 0 0 204.273 2.463 50 0 BEAARN COCCCNC(=O)Nc1ccc(C)c(F)c1 ZINC000013320148 174242290 /nfs/dbraw/zinc/24/22/90/174242290.db2.gz WRDJCLOMBQLOKM-UHFFFAOYSA-N 0 0 240.278 2.292 50 0 BEAARN COCCCNC(=O)Nc1c(F)cccc1F ZINC000043265954 174242345 /nfs/dbraw/zinc/24/23/45/174242345.db2.gz JBLHFTZLXWQKAQ-UHFFFAOYSA-N 0 0 244.241 2.123 50 0 BEAARN COCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000048324752 174243761 /nfs/dbraw/zinc/24/37/61/174243761.db2.gz YSUOQZKOQNGYEQ-RYUDHWBXSA-N 0 0 239.359 2.378 50 0 BEAARN COCCCNc1cc(Cl)nc(SC)n1 ZINC000015021628 174252264 /nfs/dbraw/zinc/25/22/64/174252264.db2.gz DTFIIZKQYAPLBY-UHFFFAOYSA-N 0 0 247.751 2.300 50 0 BEAARN COCCCSc1ncn(-c2ccccc2)n1 ZINC000095949545 174260088 /nfs/dbraw/zinc/26/00/88/174260088.db2.gz RNWPRBZWNPTSEB-UHFFFAOYSA-N 0 0 249.339 2.396 50 0 BEAARN COCCNC(=O)CCC1CCCCC1 ZINC000003003440 174319340 /nfs/dbraw/zinc/31/93/40/174319340.db2.gz DZXULOCNFXFKLA-UHFFFAOYSA-N 0 0 213.321 2.110 50 0 BEAARN COCCNC(=O)CCc1ccccc1Cl ZINC000040459312 174320712 /nfs/dbraw/zinc/32/07/12/174320712.db2.gz FAYRVFJUFGWBJN-UHFFFAOYSA-N 0 0 241.718 2.035 50 0 BEAARN COCCNC(=O)Nc1ccc(Cl)cc1C ZINC000036179410 174326076 /nfs/dbraw/zinc/32/60/76/174326076.db2.gz QPSPRHQYUMBJLO-UHFFFAOYSA-N 0 0 242.706 2.416 50 0 BEAARN COCCNC(=O)c1ccc(Cl)cc1Cl ZINC000003093793 174328486 /nfs/dbraw/zinc/32/84/86/174328486.db2.gz BXEPJHUJDNSLHG-UHFFFAOYSA-N 0 0 248.109 2.370 50 0 BEAARN COCCNC(=O)c1cc(Cl)ccc1Cl ZINC000004671897 174328729 /nfs/dbraw/zinc/32/87/29/174328729.db2.gz IGTJEDZEGDQBOG-UHFFFAOYSA-N 0 0 248.109 2.370 50 0 BEAARN COCCNc1ncc(Br)cc1C ZINC000042783951 174342988 /nfs/dbraw/zinc/34/29/88/174342988.db2.gz AALWTDXZGRCEJN-UHFFFAOYSA-N 0 0 245.120 2.211 50 0 BEAARN COCCOc1c(Cl)ccc(O)c1F ZINC000261493680 174366604 /nfs/dbraw/zinc/36/66/04/174366604.db2.gz GYLNYLYFFJXEQF-UHFFFAOYSA-N 0 0 220.627 2.210 50 0 BEAARN COCCSc1cc(C)nc(C2CC2)n1 ZINC000097010310 174376060 /nfs/dbraw/zinc/37/60/60/174376060.db2.gz HIKAVLYJPZPTQW-UHFFFAOYSA-N 0 0 224.329 2.401 50 0 BEAARN COCCSc1ccc(NC(C)=O)cc1 ZINC000044890468 174376108 /nfs/dbraw/zinc/37/61/08/174376108.db2.gz NQOCUXOVZRNLCR-UHFFFAOYSA-N 0 0 225.313 2.384 50 0 BEAARN COC[C@@H](C)Oc1ccc(Cl)cc1N ZINC000008730366 174463553 /nfs/dbraw/zinc/46/35/53/174463553.db2.gz CMQJNXATQBOQPG-SSDOTTSWSA-N 0 0 215.680 2.336 50 0 BEAARN COC[C@H](C)NC(=O)Nc1ccc(C)cc1 ZINC000018177926 174545108 /nfs/dbraw/zinc/54/51/08/174545108.db2.gz UPJZPOIEXWJJKZ-JTQLQIEISA-N 0 0 222.288 2.151 50 0 BEAARN COC[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000004549021 174546107 /nfs/dbraw/zinc/54/61/07/174546107.db2.gz YAAFCZCVBANHHQ-NSHDSACASA-N 0 0 221.300 2.068 50 0 BEAARN COC[C@H](OC(=O)c1cncc(F)c1)C(C)C ZINC000097014685 174600844 /nfs/dbraw/zinc/60/08/44/174600844.db2.gz WBFWMOINZJLVTP-NSHDSACASA-N 0 0 241.262 2.049 50 0 BEAARN COCc1cccc(C(=O)Nc2cc(C)[nH]n2)c1 ZINC000048602491 174628354 /nfs/dbraw/zinc/62/83/54/174628354.db2.gz ZPUKACAYFBCGDE-UHFFFAOYSA-N 0 0 245.282 2.117 50 0 BEAARN CON(C)C(=O)/C=C\c1cc(F)c(F)c(F)c1 ZINC000095829610 174654566 /nfs/dbraw/zinc/65/45/66/174654566.db2.gz CTFHSKGFBONUET-ARJAWSKDSA-N 0 0 245.200 2.137 50 0 BEAARN CONC(=O)NCC(C)(C)Cc1ccccc1 ZINC000096409633 174664780 /nfs/dbraw/zinc/66/47/80/174664780.db2.gz HOBAJTWDLLDJTF-UHFFFAOYSA-N 0 0 236.315 2.116 50 0 BEAARN CO[C@H](CNC(C)=O)c1ccccc1Cl ZINC000121894976 174866316 /nfs/dbraw/zinc/86/63/16/174866316.db2.gz HQIBPIATQAMDKE-LLVKDONJSA-N 0 0 227.691 2.164 50 0 BEAARN COc1cc(C)ncc1Br ZINC000084302632 174975161 /nfs/dbraw/zinc/97/51/61/174975161.db2.gz LSMZCZITQBBZGO-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN COc1cc(C=O)ccc1OCc1ccncc1 ZINC000000227056 174977128 /nfs/dbraw/zinc/97/71/28/174977128.db2.gz JSFYMQUBZVFHHJ-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 biogenic BEAARN COc1cc(N)c(Br)c(OC)c1 ZINC000071766201 174995861 /nfs/dbraw/zinc/99/58/61/174995861.db2.gz XVEXDSJIDAIIAP-UHFFFAOYSA-N 0 0 232.077 2.049 50 0 BEAARN COc1cc(N)c(C)cc1Br ZINC000016678131 174996657 /nfs/dbraw/zinc/99/66/57/174996657.db2.gz HCWSMYJWPZRXOD-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN COc1cc(NCc2cncnc2)ccc1F ZINC000083359544 175003763 /nfs/dbraw/zinc/00/37/63/175003763.db2.gz TTZFTGIIJZCUBM-UHFFFAOYSA-N 0 0 233.246 2.236 50 0 BEAARN COc1cc(OC)c([C@H](C)O)cc1Cl ZINC000012506383 175007703 /nfs/dbraw/zinc/00/77/03/175007703.db2.gz IMTBCHYABOCEOK-LURJTMIESA-N 0 0 216.664 2.411 50 0 BEAARN COc1cc2c(cc1C(F)(F)F)NC(=O)C2 ZINC000043828005 175021087 /nfs/dbraw/zinc/02/10/87/175021087.db2.gz ASXQIFMMGBUAEZ-UHFFFAOYSA-N 0 0 231.173 2.209 50 0 BEAARN COc1cc2ncnc(Cl)c2cc1OC ZINC000002574919 175029111 /nfs/dbraw/zinc/02/91/11/175029111.db2.gz LLLHRNQLGUOJHP-UHFFFAOYSA-N 0 0 224.647 2.300 50 0 in-vitro BEAARN COc1ccc(-c2cc(C=O)no2)cc1 ZINC000012958103 175031893 /nfs/dbraw/zinc/03/18/93/175031893.db2.gz YNRLEBXQHWKCQV-UHFFFAOYSA-N 0 0 203.197 2.163 50 0 BEAARN COc1ccc(-c2ccc(CO)o2)c(N)c1 ZINC000004245235 175033167 /nfs/dbraw/zinc/03/31/67/175033167.db2.gz VAOQHBQTQRQLCV-UHFFFAOYSA-N 0 0 219.240 2.030 50 0 BEAARN COc1ccc(-c2ccc(O)cn2)cc1 ZINC000065355675 175034227 /nfs/dbraw/zinc/03/42/27/175034227.db2.gz HWNKZDKLWHHEGQ-UHFFFAOYSA-N 0 0 201.225 2.463 50 0 BEAARN COc1ccc(-c2cnc(N)s2)cc1 ZINC000005513995 175036852 /nfs/dbraw/zinc/03/68/52/175036852.db2.gz MVRGZAICFHFZIJ-UHFFFAOYSA-N 0 0 206.270 2.401 50 0 BEAARN COc1ccc(-c2cnc(N)nc2)cc1Cl ZINC000065463674 175036923 /nfs/dbraw/zinc/03/69/23/175036923.db2.gz KQDPETGLBYPQDE-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN COc1ccc(-c2noc(C)c2C=O)cc1 ZINC000034620013 175042548 /nfs/dbraw/zinc/04/25/48/175042548.db2.gz ARUDIIZCBYPNNS-UHFFFAOYSA-N 0 0 217.224 2.471 50 0 BEAARN COc1ccc(-n2nc3ccc(N)cc3n2)cc1 ZINC000000123074 175044752 /nfs/dbraw/zinc/04/47/52/175044752.db2.gz WNZKUNXGRZGIFX-UHFFFAOYSA-N 0 0 240.266 2.011 50 0 BEAARN COc1ccc(-n2ncc3c2CCCC3=O)cc1 ZINC000015106135 175045121 /nfs/dbraw/zinc/04/51/21/175045121.db2.gz LOYJCZAMYSLPAW-UHFFFAOYSA-N 0 0 242.278 2.400 50 0 BEAARN COc1ccc(/C=C2\N=C(C)OC2=O)cc1OC ZINC000004533364 175048313 /nfs/dbraw/zinc/04/83/13/175048313.db2.gz ABAKBSGPUNJZIZ-POHAHGRESA-N 0 0 247.250 2.020 50 0 BEAARN COc1ccc(/C=C2/CCOC2=O)cc1OC ZINC000012402929 175048424 /nfs/dbraw/zinc/04/84/24/175048424.db2.gz ZRJQYVDRCJESNN-YFHOEESVSA-N 0 0 234.251 2.034 50 0 BEAARN COc1ccc(Br)c(OC)c1 ZINC000000056471 175051320 /nfs/dbraw/zinc/05/13/20/175051320.db2.gz NIUZVSQOXJIHBL-UHFFFAOYSA-N 0 0 217.062 2.466 50 0 BEAARN COc1ccc(Br)cc1OC(C)=O ZINC000098210434 175051588 /nfs/dbraw/zinc/05/15/88/175051588.db2.gz PDRQWBQXDDHSFS-UHFFFAOYSA-N 0 0 245.072 2.383 50 0 BEAARN COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cn1 ZINC000016230375 175062704 /nfs/dbraw/zinc/06/27/04/175062704.db2.gz RDWZVHFFXXDROT-JQWIXIFHSA-N 0 0 248.326 2.399 50 0 BEAARN COc1ccc(C(=O)Nc2ccncc2)cc1F ZINC000017585512 175063521 /nfs/dbraw/zinc/06/35/21/175063521.db2.gz OEADQYRVBAJCNR-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000000338601 175063624 /nfs/dbraw/zinc/06/36/24/175063624.db2.gz YFXWAMDABVLKSA-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 in-vitro BEAARN COc1ccc(C(C)=O)c(N)c1Br ZINC000040441633 175067594 /nfs/dbraw/zinc/06/75/94/175067594.db2.gz IWIPLJLNRFDOQO-UHFFFAOYSA-N 0 0 244.088 2.243 50 0 BEAARN COc1ccc(C(F)(F)F)cc1CO ZINC000039712970 175069844 /nfs/dbraw/zinc/06/98/44/175069844.db2.gz CWHHRWFFYKXTBK-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN COc1ccc(C)cc1CCNC(=O)[C@@H]1C[C@@H]1C ZINC000025762012 175074548 /nfs/dbraw/zinc/07/45/48/175074548.db2.gz XUUOEWPYCMSNCP-WCQYABFASA-N 0 0 247.338 2.318 50 0 BEAARN COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@H]1C ZINC000025762024 175074804 /nfs/dbraw/zinc/07/48/04/175074804.db2.gz XUUOEWPYCMSNCP-YPMHNXCESA-N 0 0 247.338 2.318 50 0 BEAARN COc1ccc(C)cc1NC(=O)NC1CC1 ZINC000000401976 175078044 /nfs/dbraw/zinc/07/80/44/175078044.db2.gz FOUPJEMFHNJTGO-UHFFFAOYSA-N 0 0 220.272 2.288 50 0 BEAARN COc1ccc(C2CC(=O)CC(=O)C2)cc1 ZINC000100009713 175085368 /nfs/dbraw/zinc/08/53/68/175085368.db2.gz AHYCBDWPHFFKFK-UHFFFAOYSA-N 0 0 218.252 2.101 50 0 BEAARN COc1ccc(CC(=O)Nc2cc(C)on2)cc1 ZINC000002740317 175087723 /nfs/dbraw/zinc/08/77/23/175087723.db2.gz AVLOEFVDVXNVNH-UHFFFAOYSA-N 0 0 246.266 2.173 50 0 BEAARN COc1ccc(CC(N)=S)cc1OC(F)F ZINC000036379929 175088184 /nfs/dbraw/zinc/08/81/84/175088184.db2.gz PGUCYDZAIDPIRW-UHFFFAOYSA-N 0 0 247.266 2.125 50 0 BEAARN COc1ccc(CCn2ccc(C)cc2=O)cc1 ZINC000096489272 175094249 /nfs/dbraw/zinc/09/42/49/175094249.db2.gz JSHNXVUSKZWHFR-UHFFFAOYSA-N 0 0 243.306 2.408 50 0 BEAARN COc1ccc(CNC(=O)NCC(C)C)cc1 ZINC000025052667 175104170 /nfs/dbraw/zinc/10/41/70/175104170.db2.gz LOVYBGQNFPMDIU-UHFFFAOYSA-N 0 0 236.315 2.150 50 0 BEAARN COc1ccc(CNC(=O)C2CCC2)cc1 ZINC000040458957 175104174 /nfs/dbraw/zinc/10/41/74/175104174.db2.gz DORCWEPPDJTIPO-UHFFFAOYSA-N 0 0 219.284 2.112 50 0 BEAARN COc1ccc(CSc2nncn2C)cc1 ZINC000000546900 175114881 /nfs/dbraw/zinc/11/48/81/175114881.db2.gz YALHKVASCWFATJ-UHFFFAOYSA-N 0 0 235.312 2.116 50 0 BEAARN COc1ccc(N)cc1OC(F)(F)F ZINC000090548108 175138162 /nfs/dbraw/zinc/13/81/62/175138162.db2.gz SUHKHUKMTRYZOA-UHFFFAOYSA-N 0 0 207.151 2.176 50 0 BEAARN COc1ccc(NC(=O)C2CCC2)cc1 ZINC000000446841 175140579 /nfs/dbraw/zinc/14/05/79/175140579.db2.gz UTNDRACUGMUVPU-UHFFFAOYSA-N 0 0 205.257 2.434 50 0 BEAARN COc1ccc(NC(=O)N2CCCC[C@@H]2C)cn1 ZINC000048019336 175143457 /nfs/dbraw/zinc/14/34/57/175143457.db2.gz RMJMBEPYHLJQHW-JTQLQIEISA-N 0 0 249.314 2.497 50 0 BEAARN COc1ccc(NC(=O)N2CCCC2)c(C)n1 ZINC000098019344 175143761 /nfs/dbraw/zinc/14/37/61/175143761.db2.gz JYXMZMCHHZHFRT-UHFFFAOYSA-N 0 0 235.287 2.026 50 0 BEAARN COc1ccc(NC(=O)NCC2CC2)cc1F ZINC000048451078 175143897 /nfs/dbraw/zinc/14/38/97/175143897.db2.gz QLSGUWUWWBCEIN-UHFFFAOYSA-N 0 0 238.262 2.366 50 0 BEAARN COc1ccc(NC(=O)[C@H]2CCCO2)c(C)c1 ZINC000001053545 175146610 /nfs/dbraw/zinc/14/66/10/175146610.db2.gz IIRNILLVWLGBEI-GFCCVEGCSA-N 0 0 235.283 2.121 50 0 BEAARN COc1ccc(NC(=O)[C@H]2C[C@H]2C)c(OC)c1 ZINC000005461548 175147173 /nfs/dbraw/zinc/14/71/73/175147173.db2.gz ADRWLHXWNYGAMI-SCZZXKLOSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1OC ZINC000012971307 175147549 /nfs/dbraw/zinc/14/75/49/175147549.db2.gz CDEZZXYETAIBRE-WPRPVWTQSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NC(=O)c2ccco2)c(N)c1 ZINC000000419982 175147693 /nfs/dbraw/zinc/14/76/93/175147693.db2.gz UEAYFTIZBNKHCR-UHFFFAOYSA-N 0 0 232.239 2.123 50 0 BEAARN COc1ccc(NC(=O)c2ccc(C)o2)cn1 ZINC000006831154 175147853 /nfs/dbraw/zinc/14/78/53/175147853.db2.gz NERRAYCHCUTEOS-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccc(Nc2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000057330759 175156476 /nfs/dbraw/zinc/15/64/76/175156476.db2.gz GWUSBVFDZXTITC-UHFFFAOYSA-N 0 0 245.282 2.139 50 0 BEAARN COc1ccc(OC)c(C(=O)OCC(F)F)c1 ZINC000071803579 175164355 /nfs/dbraw/zinc/16/43/55/175164355.db2.gz ZHSAYNNLOPXXAH-UHFFFAOYSA-N 0 0 246.209 2.126 50 0 BEAARN COc1ccc(OC)c2c1CCCC2=O ZINC000004946360 175170874 /nfs/dbraw/zinc/17/08/74/175170874.db2.gz VAMWBRIIBYQTGS-UHFFFAOYSA-N 0 0 206.241 2.223 50 0 BEAARN COc1ccc(OC)c2nc(C=O)ccc12 ZINC000001526717 175171226 /nfs/dbraw/zinc/17/12/26/175171226.db2.gz JTUCCIJVUMWRPQ-UHFFFAOYSA-N 0 0 217.224 2.065 50 0 biogenic BEAARN COc1ccc(OCC(=O)NC2CCCC2)cc1 ZINC000005513835 175171690 /nfs/dbraw/zinc/17/16/90/175171690.db2.gz CVJWCDGMCVUMOH-UHFFFAOYSA-N 0 0 249.310 2.133 50 0 BEAARN COc1ccc(OCc2csc(N)n2)cc1 ZINC000003885557 175173167 /nfs/dbraw/zinc/17/31/67/175173167.db2.gz CKPKSYMUFZYYSW-UHFFFAOYSA-N 0 0 236.296 2.313 50 0 BEAARN COc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000000270963 175174020 /nfs/dbraw/zinc/17/40/20/175174020.db2.gz IUJYLZMHOIXYLG-UHFFFAOYSA-N 0 0 228.313 2.267 50 0 BEAARN COc1ccc2c(c1)occ(-c1ccon1)c2=O ZINC000000178236 175202868 /nfs/dbraw/zinc/20/28/68/175202868.db2.gz XCINEFKRVDPUGE-UHFFFAOYSA-N 0 0 243.218 2.457 50 0 biogenic BEAARN COc1ccc2c(c1)occ(Cl)c2=O ZINC000041431275 175203007 /nfs/dbraw/zinc/20/30/07/175203007.db2.gz ZYHYJVPQJXNZAK-UHFFFAOYSA-N 0 0 210.616 2.455 50 0 BEAARN COc1ccc2c(C)c(C[C@@H](C)O)c(=O)oc2c1 ZINC000000196349 175203401 /nfs/dbraw/zinc/20/34/01/175203401.db2.gz INWXTWBBNSHMRS-MRVPVSSYSA-N 0 0 248.278 2.033 50 0 biogenic BEAARN COc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000000093391 175203848 /nfs/dbraw/zinc/20/38/48/175203848.db2.gz JDNSAFIIOVPTOF-UHFFFAOYSA-N 0 0 204.225 2.418 50 0 biogenic BEAARN COc1ccc2c(OC(C)=O)coc2c1 ZINC000000163172 175205399 /nfs/dbraw/zinc/20/53/99/175205399.db2.gz PMOODCMXPBWVKU-UHFFFAOYSA-N 0 0 206.197 2.367 50 0 BEAARN COc1ccc2c(c1)[C@H](O)C[C@@H](C(F)(F)F)O2 ZINC000043464917 175217303 /nfs/dbraw/zinc/21/73/03/175217303.db2.gz JFPBLFLXPAOFAF-SCZZXKLOSA-N 0 0 248.200 2.442 50 0 BEAARN COc1ccc2c(c1)sc1nc(C)cc(=O)n21 ZINC000021663183 175219798 /nfs/dbraw/zinc/21/97/98/175219798.db2.gz YPXVFXDVGROUCU-UHFFFAOYSA-N 0 0 246.291 2.226 50 0 BEAARN COc1ccc2cccc(NC(C)=O)c2n1 ZINC000049027913 175225960 /nfs/dbraw/zinc/22/59/60/175225960.db2.gz RJSJRKKKYUHQFK-UHFFFAOYSA-N 0 0 216.240 2.202 50 0 BEAARN COc1ccc2cc3c(nc2c1)N(C(C)=O)CC3 ZINC000015842101 175226094 /nfs/dbraw/zinc/22/60/94/175226094.db2.gz QJQWDPFQJIQLQX-UHFFFAOYSA-N 0 0 242.278 2.152 50 0 BEAARN COc1cccc(-c2ccc(C)cn2)n1 ZINC000034566062 175234364 /nfs/dbraw/zinc/23/43/64/175234364.db2.gz ZBVYIWKIRXCWPW-UHFFFAOYSA-N 0 0 200.241 2.461 50 0 BEAARN COc1cccc(-c2cccc(N)n2)c1 ZINC000032541074 175235264 /nfs/dbraw/zinc/23/52/64/175235264.db2.gz VFWJYIYZICPMGX-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN COc1cccc(/C=C(/C)[N+](=O)[O-])c1OC ZINC000019798894 175239727 /nfs/dbraw/zinc/23/97/27/175239727.db2.gz MMLNTSKEWFKJQF-FPLPWBNLSA-N 0 0 223.228 2.341 50 0 BEAARN COc1cccc(C=Cc2nccc(=O)[nH]2)c1F ZINC000225689910 175240332 /nfs/dbraw/zinc/24/03/32/175240332.db2.gz WHSSFGJHCOYYHN-AATRIKPKSA-N 0 0 246.241 2.088 50 0 BEAARN COc1cccc(/C=C/C(=O)Nc2cn[nH]c2)c1 ZINC000032913245 175241025 /nfs/dbraw/zinc/24/10/25/175241025.db2.gz GMBUVSVPBAZQJR-AATRIKPKSA-N 0 0 243.266 2.070 50 0 BEAARN COc1cccc(C(=O)O[C@@H]2CCCCC2=O)c1 ZINC000008848128 175246043 /nfs/dbraw/zinc/24/60/43/175246043.db2.gz HVBCOPCCBOWVPA-CYBMUJFWSA-N 0 0 248.278 2.364 50 0 BEAARN COc1cccc(C(=O)c2ccc(F)cc2)n1 ZINC000045028724 175247311 /nfs/dbraw/zinc/24/73/11/175247311.db2.gz MRASIXWLPYLXCL-UHFFFAOYSA-N 0 0 231.226 2.460 50 0 BEAARN COc1cccc(C(=O)c2ccccn2)c1OC ZINC000043210498 175247382 /nfs/dbraw/zinc/24/73/82/175247382.db2.gz YCARGEZAUQNYPC-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1cccc(C(=O)c2ccccc2OC)n1 ZINC000045028713 175247565 /nfs/dbraw/zinc/24/75/65/175247565.db2.gz HUFJUHRUZJOGMT-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1cccc(C2=CSC3=NCCN23)c1 ZINC000001000420 175248858 /nfs/dbraw/zinc/24/88/58/175248858.db2.gz GCPIYTCYJXIPOF-UHFFFAOYSA-N 0 0 232.308 2.412 50 0 BEAARN COc1cccc(C=O)c1OCc1ccncc1 ZINC000020282903 175249346 /nfs/dbraw/zinc/24/93/46/175249346.db2.gz ITMROXPSYRRICS-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN COc1cccc(CC(=O)NCc2ccco2)c1 ZINC000007777653 175249833 /nfs/dbraw/zinc/24/98/33/175249833.db2.gz MCVGSHYJFHYYEI-UHFFFAOYSA-N 0 0 245.278 2.147 50 0 BEAARN COc1cccc(CC(=O)Nc2nccs2)c1 ZINC000003549679 175251180 /nfs/dbraw/zinc/25/11/80/175251180.db2.gz MFMQTTIBFOSNRR-UHFFFAOYSA-N 0 0 248.307 2.333 50 0 BEAARN COc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000014194842 175261487 /nfs/dbraw/zinc/26/14/87/175261487.db2.gz DYDNSWAKWDMNFF-TXEJJXNPSA-N 0 0 235.327 2.304 50 0 BEAARN COc1cccc(Cc2nnc(SC)o2)c1 ZINC000066256764 175273628 /nfs/dbraw/zinc/27/36/28/175273628.db2.gz MYVDUBUGHLCAJT-UHFFFAOYSA-N 0 0 236.296 2.391 50 0 BEAARN COc1cccc(Cn2cc(F)ccc2=O)c1 ZINC000190747166 175273813 /nfs/dbraw/zinc/27/38/13/175273813.db2.gz VKWJJNLWLVWIMW-UHFFFAOYSA-N 0 0 233.242 2.044 50 0 BEAARN COc1cccc(NC(=O)c2cccnc2)c1 ZINC000000029323 175277805 /nfs/dbraw/zinc/27/78/05/175277805.db2.gz PSTUKXJBMHKBAR-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1cccc(NC(=O)c2cncs2)c1 ZINC000004728159 175277951 /nfs/dbraw/zinc/27/79/51/175277951.db2.gz JSOKDKMFFHCTGU-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN COc1cccc2c(CO)ccc(OC)c12 ZINC000000189054 175298975 /nfs/dbraw/zinc/29/89/75/175298975.db2.gz JFMCSPWDESDAHH-UHFFFAOYSA-N 0 0 218.252 2.349 50 0 BEAARN COc1ccccc1CC(=O)NCc1ccco1 ZINC000000060812 175321711 /nfs/dbraw/zinc/32/17/11/175321711.db2.gz YPELPHQABZDHJZ-UHFFFAOYSA-N 0 0 245.278 2.147 50 0 biogenic BEAARN COc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000023114706 175328780 /nfs/dbraw/zinc/32/87/80/175328780.db2.gz WEKGZAWJOBJDGM-RYUDHWBXSA-N 0 0 235.327 2.304 50 0 BEAARN COc1ccccc1Nc1ncnc2n[nH]cc21 ZINC000005123863 175340170 /nfs/dbraw/zinc/34/01/70/175340170.db2.gz CABNTSMVDVUVED-UHFFFAOYSA-N 0 0 241.254 2.105 50 0 BEAARN COc1cncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000065301647 175383492 /nfs/dbraw/zinc/38/34/92/175383492.db2.gz FTPYCIFLBLUCEE-GHMZBOCLSA-N 0 0 248.326 2.208 50 0 BEAARN COc1nc(-c2cccc3c2OCC3)ncc1F ZINC000215023079 175388782 /nfs/dbraw/zinc/38/87/82/175388782.db2.gz UOOCLTFPHKQFLD-UHFFFAOYSA-N 0 0 246.241 2.226 50 0 BEAARN COc1nc2ccc(C)cc2cc1C=O ZINC000004384372 175396413 /nfs/dbraw/zinc/39/64/13/175396413.db2.gz QFQKYQVZTFLFSY-UHFFFAOYSA-N 0 0 201.225 2.364 50 0 BEAARN COc1ncnc2c3cccnc3sc21 ZINC000000171812 175414480 /nfs/dbraw/zinc/41/44/80/175414480.db2.gz ZSEQQUAQCYVTCL-UHFFFAOYSA-N 0 0 217.253 2.248 50 0 BEAARN CS(=O)(=O)Oc1cccc2sccc21 ZINC000002049227 175435253 /nfs/dbraw/zinc/43/52/53/175435253.db2.gz PXWKEMWDXJOPRE-UHFFFAOYSA-N 0 0 228.294 2.240 50 0 BEAARN CS(=O)(=O)c1cccc(Cl)c1Cl ZINC000002511099 175438727 /nfs/dbraw/zinc/43/87/27/175438727.db2.gz XMIYOJPNBYXVBP-UHFFFAOYSA-N 0 0 225.096 2.397 50 0 BEAARN CSCCCNC(=O)N[C@H](C)c1ccoc1 ZINC000095421902 175484954 /nfs/dbraw/zinc/48/49/54/175484954.db2.gz MLKAWSQAMSHUSS-SECBINFHSA-N 0 0 242.344 2.393 50 0 BEAARN CSC[C@@H](C)C(=O)Nc1cc(C)ns1 ZINC000176416079 175511616 /nfs/dbraw/zinc/51/16/16/175511616.db2.gz OHDXMOOIJIAXAZ-ZCFIWIBFSA-N 0 0 230.358 2.389 50 0 BEAARN CSCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000047895738 175531335 /nfs/dbraw/zinc/53/13/35/175531335.db2.gz CYLOZJQRDXWVFV-UHFFFAOYSA-N 0 0 240.715 2.211 50 0 BEAARN CSCc1nc(N)nc(Nc2ccccc2)n1 ZINC000047895736 175533207 /nfs/dbraw/zinc/53/32/07/175533207.db2.gz NWVQHJYLBJFCJJ-UHFFFAOYSA-N 0 0 247.327 2.060 50 0 BEAARN CSc1cccc(NC(=O)c2cnccn2)c1 ZINC000000069713 175580851 /nfs/dbraw/zinc/58/08/51/175580851.db2.gz KETPCTZRTHXHHJ-UHFFFAOYSA-N 0 0 245.307 2.451 50 0 BEAARN CSc1nc(C)c2c(c1C(N)=O)CCCC2 ZINC000067257827 175588297 /nfs/dbraw/zinc/58/82/97/175588297.db2.gz UDDFESIPJFWVFH-UHFFFAOYSA-N 0 0 236.340 2.090 50 0 BEAARN C[C@@H](NC(=O)OCC(F)(F)F)C1CC1 ZINC000082416871 175841883 /nfs/dbraw/zinc/84/18/83/175841883.db2.gz QPSHGEXFPAVWAS-RXMQYKEDSA-N 0 0 211.183 2.073 50 0 BEAARN C[C@@H](Oc1c(Cl)cccc1Cl)C(N)=O ZINC000033434274 176003580 /nfs/dbraw/zinc/00/35/80/176003580.db2.gz KVCQWFJJUHDPLB-RXMQYKEDSA-N 0 0 234.082 2.246 50 0 BEAARN C[C@@H](Oc1ccc2ccccc2c1)C(N)=O ZINC000012380308 176004706 /nfs/dbraw/zinc/00/47/06/176004706.db2.gz RZMRLZKORQAVJB-SECBINFHSA-N 0 0 215.252 2.092 50 0 BEAARN C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789712 176017908 /nfs/dbraw/zinc/01/79/08/176017908.db2.gz RFSIJWITGRWYTL-ONGXEEELSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cnn(C)c1 ZINC000068527725 176019475 /nfs/dbraw/zinc/01/94/75/176019475.db2.gz BJPCGUVPEWVHNS-NSHDSACASA-N 0 0 243.310 2.253 50 0 BEAARN C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790223 176025018 /nfs/dbraw/zinc/02/50/18/176025018.db2.gz QGBYAHVRAJXYBH-UWVGGRQHSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@@H]1CC(=O)CN(Cc2ccccc2)C1 ZINC000068593095 176048111 /nfs/dbraw/zinc/04/81/11/176048111.db2.gz LQHLLGBMPQNQLJ-LLVKDONJSA-N 0 0 203.285 2.098 50 0 BEAARN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2CC2)C1 ZINC000097138448 176052481 /nfs/dbraw/zinc/05/24/81/176052481.db2.gz LJHHOJBZZCGGLP-YGRLFVJLSA-N 0 0 239.359 2.090 50 0 BEAARN C[C@@H]1CC(O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000038868135 176055466 /nfs/dbraw/zinc/05/54/66/176055466.db2.gz RNQIRWQBYRTJPG-RKDXNWHRSA-N 0 0 229.320 2.155 50 0 BEAARN C[C@@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000046125183 176066107 /nfs/dbraw/zinc/06/61/07/176066107.db2.gz LSPJAKHEBSBMQL-VXGBXAGGSA-N 0 0 225.332 2.347 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)c1csc(N)n1 ZINC000055177427 176087471 /nfs/dbraw/zinc/08/74/71/176087471.db2.gz VLMAQIPKRMWBRL-HTQZYQBOSA-N 0 0 239.344 2.034 50 0 BEAARN C[C@@H]1CCCN(C(=O)CNc2ccccc2)C1 ZINC000058372455 176092147 /nfs/dbraw/zinc/09/21/47/176092147.db2.gz CDNKWXRZVRYOHU-GFCCVEGCSA-N 0 0 232.327 2.357 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2ccccc2N)C1 ZINC000008703304 176095143 /nfs/dbraw/zinc/09/51/43/176095143.db2.gz PXFWRLYTTJEUOI-SNVBAGLBSA-N 0 0 218.300 2.141 50 0 BEAARN C[C@@H]1CCCN(CNC(=O)c2ccccc2)C1 ZINC000004903186 176100301 /nfs/dbraw/zinc/10/03/01/176100301.db2.gz HGDMSNDOBJQNSW-GFCCVEGCSA-N 0 0 232.327 2.106 50 0 BEAARN C[C@@H]1CCC[C@@H](CCn2ncccc2=O)C1 ZINC000195417885 176117471 /nfs/dbraw/zinc/11/74/71/176117471.db2.gz RZIXIEBXGSTWQJ-NEPJUHHUSA-N 0 0 220.316 2.460 50 0 BEAARN C[C@@H]1CCC[C@@H](OCC(=O)Nc2cnccn2)C1 ZINC000097379899 176124969 /nfs/dbraw/zinc/12/49/69/176124969.db2.gz ZECMPNSYZKPSBB-GHMZBOCLSA-N 0 0 249.314 2.010 50 0 BEAARN C[C@@H]1CCC[C@H](Nc2ncnc3c2cnn3C)C1 ZINC000025571761 176145944 /nfs/dbraw/zinc/14/59/44/176145944.db2.gz DRMYJUKLZOQQMY-ZJUUUORDSA-N 0 0 245.330 2.354 50 0 BEAARN C[C@@H]1CCN(C(=O)NCc2ccoc2)C[C@@H]1C ZINC000179304694 176158870 /nfs/dbraw/zinc/15/88/70/176158870.db2.gz KPWCPHNQQPMQQA-MNOVXSKESA-N 0 0 236.315 2.467 50 0 BEAARN C[C@@H]1CCN(C(N)=O)[C@H]1c1cccc(F)c1 ZINC000081674362 176166420 /nfs/dbraw/zinc/16/64/20/176166420.db2.gz PLCNIXHLUKKDQB-LDYMZIIASA-N 0 0 222.263 2.287 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3CCC[C@@H]32)O1 ZINC000089922805 176219555 /nfs/dbraw/zinc/21/95/55/176219555.db2.gz BJSUJGZXLNOMER-FVCCEPFGSA-N 0 0 237.343 2.345 50 0 BEAARN C[C@@H]1CCc2c(=O)[nH]c3ccccc3c2O1 ZINC000008579903 176239524 /nfs/dbraw/zinc/23/95/24/176239524.db2.gz GOUGXEZJGPPHNS-MRVPVSSYSA-N 0 0 215.252 2.242 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C\c2ccccc2)C[C@@H](C)O1 ZINC000228673716 176241351 /nfs/dbraw/zinc/24/13/51/176241351.db2.gz LRHCUXPHENVHGT-WACGGTQYSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@@H](C)O1 ZINC000000304128 176262172 /nfs/dbraw/zinc/26/21/72/176262172.db2.gz XIXAYXQQIUCREY-NXEZZACHSA-N 0 0 237.274 2.075 50 0 BEAARN C[C@@H]1CN(Cc2ccon2)CCC1(F)F ZINC000289755128 176309299 /nfs/dbraw/zinc/30/92/99/176309299.db2.gz KKAHLDOTTPSPFB-MRVPVSSYSA-N 0 0 216.231 2.152 50 0 BEAARN C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@@H](C)O1 ZINC000020405787 176309444 /nfs/dbraw/zinc/30/94/44/176309444.db2.gz ZDJTWVZXRZKZTD-HTQZYQBOSA-N 0 0 246.763 2.406 50 0 BEAARN C[C@@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000032905446 176320733 /nfs/dbraw/zinc/32/07/33/176320733.db2.gz AMBRVFDQBMYYMC-SECBINFHSA-N 0 0 218.256 2.053 50 0 BEAARN C[C@@H]1C[C@@H]([N@H+](C)CC2CCCCC2)C(=O)O1 ZINC000069416469 176371873 /nfs/dbraw/zinc/37/18/73/176371873.db2.gz FMQHDMFGLUNFGX-ZYHUDNBSSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1C[C@@H](Sc2ccccc2O)C(=O)O1 ZINC000089920147 176383672 /nfs/dbraw/zinc/38/36/72/176383672.db2.gz GJQSZGMWFDYFGG-GMSGAONNSA-N 0 0 224.281 2.188 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000252498573 176386175 /nfs/dbraw/zinc/38/61/75/176386175.db2.gz REZVQKPNDXSEGN-MFKMUULPSA-N 0 0 242.322 2.483 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000252498574 176432103 /nfs/dbraw/zinc/43/21/03/176432103.db2.gz REZVQKPNDXSEGN-ZWNOBZJWSA-N 0 0 242.322 2.483 50 0 BEAARN C[C@@H]1Cc2cc(Br)ccc2C(=O)N1 ZINC000118220336 176450255 /nfs/dbraw/zinc/45/02/55/176450255.db2.gz DGUKGSUONYQZOR-ZCFIWIBFSA-N 0 0 240.100 2.124 50 0 BEAARN C[C@@]1(O)N(C2CC2)C(=O)OC12CCCCC2 ZINC000004727299 176545388 /nfs/dbraw/zinc/54/53/88/176545388.db2.gz NRIKWDLIBJEUIE-NSHDSACASA-N 0 0 225.288 2.012 50 0 BEAARN C[C@H](Cc1ccccc1)NC(=O)c1ccncc1 ZINC000000329717 176724109 /nfs/dbraw/zinc/72/41/09/176724109.db2.gz NABUKNINVWXMID-GFCCVEGCSA-N 0 0 240.306 2.443 50 0 BEAARN C[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccccn1 ZINC000029728988 176804633 /nfs/dbraw/zinc/80/46/33/176804633.db2.gz LCSKDHAOQPQIAV-VHSXEESVSA-N 0 0 233.315 2.240 50 0 BEAARN C[C@H](O)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000189603787 176944031 /nfs/dbraw/zinc/94/40/31/176944031.db2.gz FPBSDXAIMCNRSK-IUCAKERBSA-N 0 0 249.335 2.459 50 0 BEAARN C[C@H](CO)S[C@@H](C)c1nc(C2CC2)no1 ZINC000096430371 177028263 /nfs/dbraw/zinc/02/82/63/177028263.db2.gz ZWRLOUUJVWGEAB-RQJHMYQMSA-N 0 0 228.317 2.122 50 0 BEAARN C[C@@H](S[C@@H](C)C(N)=O)c1ccccc1F ZINC000048681393 177028559 /nfs/dbraw/zinc/02/85/59/177028559.db2.gz JHDFKNYBYMQRGO-SFYZADRCSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@H](Sc1ccccc1F)C(=O)N(C)C ZINC000012987309 177029202 /nfs/dbraw/zinc/02/92/02/177029202.db2.gz VITLSTIHEYXQAK-QMMMGPOBSA-N 0 0 227.304 2.395 50 0 BEAARN C[C@H](c1ccccc1)N(C)C(=O)c1cnn(C)c1 ZINC000068527729 177037337 /nfs/dbraw/zinc/03/73/37/177037337.db2.gz BJPCGUVPEWVHNS-LLVKDONJSA-N 0 0 243.310 2.253 50 0 BEAARN C[C@H](c1ccccn1)N(C)C(=O)c1cscn1 ZINC000078482748 177042939 /nfs/dbraw/zinc/04/29/39/177042939.db2.gz DFFXZVXCRWLADB-SECBINFHSA-N 0 0 247.323 2.371 50 0 BEAARN C[C@H](c1nc(C2CC2)no1)N1CCCC1 ZINC000044974232 177052909 /nfs/dbraw/zinc/05/29/09/177052909.db2.gz PYUPBRSOQFXKMS-MRVPVSSYSA-N 0 0 207.277 2.104 50 0 BEAARN C[C@H](c1nc(C2CC2)no1)N1CCCCC1 ZINC000071186378 177053104 /nfs/dbraw/zinc/05/31/04/177053104.db2.gz XTHQGXQCNMQSIJ-SECBINFHSA-N 0 0 221.304 2.494 50 0 BEAARN C[C@H]1CCCCN1C(=O)c1ccncc1 ZINC000005529164 177074165 /nfs/dbraw/zinc/07/41/65/177074165.db2.gz LLNCJYRCWMEUJW-JTQLQIEISA-N 0 0 204.273 2.096 50 0 BEAARN C[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000006725795 177078669 /nfs/dbraw/zinc/07/86/69/177078669.db2.gz LCFPIRQRJTZNSE-VIFPVBQESA-N 0 0 245.369 2.311 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccccn1 ZINC000006436260 177082507 /nfs/dbraw/zinc/08/25/07/177082507.db2.gz DJHZNCXSQOFNIK-QWRGUYRKSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)n1ccnc1 ZINC000032628623 177083025 /nfs/dbraw/zinc/08/30/25/177083025.db2.gz GZPOELWUWAUAJL-UWVGGRQHSA-N 0 0 207.277 2.020 50 0 BEAARN C[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000005529189 177092323 /nfs/dbraw/zinc/09/23/23/177092323.db2.gz ADEMQGDTKYROSC-LBPRGKRZSA-N 0 0 233.311 2.324 50 0 BEAARN C[C@H]1CCCN(C(=O)NCc2cscn2)C1 ZINC000051749224 177092563 /nfs/dbraw/zinc/09/25/63/177092563.db2.gz NBDDHRZLSPFZRB-VIFPVBQESA-N 0 0 239.344 2.085 50 0 BEAARN C[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000035477539 177094290 /nfs/dbraw/zinc/09/42/90/177094290.db2.gz APKHOEQJTNPBQH-VIFPVBQESA-N 0 0 233.315 2.159 50 0 BEAARN C[C@H]1CCCN(Cc2nnsc2Cl)C1 ZINC000035164778 177104331 /nfs/dbraw/zinc/10/43/31/177104331.db2.gz RVVQQMHOCJZWQS-ZETCQYMHSA-N 0 0 231.752 2.423 50 0 BEAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cccnc1 ZINC000016970269 177115846 /nfs/dbraw/zinc/11/58/46/177115846.db2.gz DYTNYPBYDDSYGQ-PHIMTYICSA-N 0 0 218.300 2.485 50 0 BEAARN C[C@H]1CCC[C@H](C(=O)OCc2ccccc2)N1 ZINC000059852232 177129477 /nfs/dbraw/zinc/12/94/77/177129477.db2.gz VCDXZKWEOAGDCL-WCQYABFASA-N 0 0 233.311 2.260 50 0 BEAARN C[C@H]1CCC[C@H](OCC(=O)Nc2cnccn2)C1 ZINC000097379898 177138236 /nfs/dbraw/zinc/13/82/36/177138236.db2.gz ZECMPNSYZKPSBB-QWRGUYRKSA-N 0 0 249.314 2.010 50 0 BEAARN C[C@H]1CCCc2sc3[nH]cnc(=NN)c3c21 ZINC000000510482 177145025 /nfs/dbraw/zinc/14/50/25/177145025.db2.gz MVMJMLMQRVFYHB-LURJTMIESA-N 0 0 234.328 2.417 50 0 BEAARN C[C@H]1CCN(C(=O)c2ccco2)CC1(F)F ZINC000336418686 177154610 /nfs/dbraw/zinc/15/46/10/177154610.db2.gz YACVHQMIUXHTBD-QMMMGPOBSA-N 0 0 229.226 2.397 50 0 BEAARN C[C@H]1CCN(C(N)=O)[C@@H]1c1cccc(F)c1 ZINC000081674360 177157638 /nfs/dbraw/zinc/15/76/38/177157638.db2.gz PLCNIXHLUKKDQB-KWQFWETISA-N 0 0 222.263 2.287 50 0 BEAARN C[C@H]1CCN(Cc2ccccc2)CC1=O ZINC000038847048 177166110 /nfs/dbraw/zinc/16/61/10/177166110.db2.gz BSBVJNUGGBQEPO-NSHDSACASA-N 0 0 203.285 2.098 50 0 BEAARN C[C@H]1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1 ZINC000075337352 177208566 /nfs/dbraw/zinc/20/85/66/177208566.db2.gz DZNWHRNZUMDCAQ-JTQLQIEISA-N 0 0 247.342 2.161 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@H](C)O1 ZINC000012409164 177210573 /nfs/dbraw/zinc/21/05/73/177210573.db2.gz LRHCUXPHENVHGT-UVHIWXSVSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@H]1CN(C(=O)C2CC=CC2)CCC1(F)F ZINC000290755614 177212983 /nfs/dbraw/zinc/21/29/83/177212983.db2.gz ATLFPAAHGJGMRM-VIFPVBQESA-N 0 0 229.270 2.456 50 0 BEAARN C[C@H]1CN(C(=O)C2CC2)c2ccccc2NC1=O ZINC000021793331 177213600 /nfs/dbraw/zinc/21/36/00/177213600.db2.gz BBKBJRKGSIWUCI-VIFPVBQESA-N 0 0 244.294 2.018 50 0 BEAARN C[C@@H]1CN(C(=O)c2ccccc2F)C[C@H](C)O1 ZINC000012410436 177228498 /nfs/dbraw/zinc/22/84/98/177228498.db2.gz WIRZYKIFMJGHTQ-AOOOYVTPSA-N 0 0 237.274 2.075 50 0 BEAARN C[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000054954680 177264459 /nfs/dbraw/zinc/26/44/59/177264459.db2.gz OVQAJYCAXPHYNV-NSHDSACASA-N 0 0 203.285 2.098 50 0 in-vitro BEAARN C[C@@H]1CN(Cc2ccccc2F)C[C@H](C)O1 ZINC000012408886 177265799 /nfs/dbraw/zinc/26/57/99/177265799.db2.gz JLWKCIQQXMVLCP-PHIMTYICSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@H]1COCCN1Cc1csc(Cl)n1 ZINC000253393438 177293314 /nfs/dbraw/zinc/29/33/14/177293314.db2.gz DFJSAZZWBOGUAZ-ZETCQYMHSA-N 0 0 232.736 2.017 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc[nH]2)C1 ZINC000032814949 177312193 /nfs/dbraw/zinc/31/21/93/177312193.db2.gz ZITIPAXLPVDORC-AOOOYVTPSA-N 0 0 206.289 2.133 50 0 BEAARN C[C@@H]1C[C@H](C)CN(Cc2nc(C3CC3)no2)C1 ZINC000043999579 177315081 /nfs/dbraw/zinc/31/50/81/177315081.db2.gz JCOZVKDSLFHXNN-AOOOYVTPSA-N 0 0 235.331 2.425 50 0 BEAARN C[C@H](CCc1ccco1)NC(=O)[C@H]1C[C@@H]1C ZINC000060537994 177340848 /nfs/dbraw/zinc/34/08/48/177340848.db2.gz CHCUSMVCAWIIQG-UMNHJUIQSA-N 0 0 221.300 2.373 50 0 BEAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C)o1 ZINC000053366158 177352101 /nfs/dbraw/zinc/35/21/01/177352101.db2.gz FVJKGWIZPAXWOU-ONGXEEELSA-N 0 0 221.300 2.424 50 0 BEAARN C[C@H]1C[C@H](CNC(=O)Nc2cccnc2)CCO1 ZINC000095457621 177362401 /nfs/dbraw/zinc/36/24/01/177362401.db2.gz KBLYHTUHHRWCNZ-WDEREUQCSA-N 0 0 249.314 2.018 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1F ZINC000071899796 177376165 /nfs/dbraw/zinc/37/61/65/177376165.db2.gz NPSFRUGKWZCSFS-GZMMTYOYSA-N 0 0 239.265 2.280 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCCCc1ccccc1 ZINC000044866048 177376518 /nfs/dbraw/zinc/37/65/18/177376518.db2.gz HEMJRMPGCWQHEW-WCQYABFASA-N 0 0 217.312 2.391 50 0 BEAARN C[C@H](CC(=O)c1ccccc1)NC(=O)[C@@H]1C[C@@H]1C ZINC000110680312 177376846 /nfs/dbraw/zinc/37/68/46/177376846.db2.gz MYYFCSUERNVDTI-DMDPSCGWSA-N 0 0 245.322 2.420 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000049122895 177376932 /nfs/dbraw/zinc/37/69/32/177376932.db2.gz UYJAWTNWITUSQU-WCBMZHEXSA-N 0 0 233.315 2.369 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000372184 177377054 /nfs/dbraw/zinc/37/70/54/177377054.db2.gz JCTYEPZJGLBQKZ-CAHLUQPWSA-N 0 0 223.301 2.010 50 0 BEAARN C[C@H]1C[C@H]1COC(=O)c1ccnc(F)c1 ZINC000071803627 177382634 /nfs/dbraw/zinc/38/26/34/177382634.db2.gz OQXFFLQCCBMQSL-CBAPKCEASA-N 0 0 209.220 2.034 50 0 BEAARN C[C@H]1OCCN(c2nc3ccccc3[nH]2)[C@@H]1C ZINC000270561990 177399322 /nfs/dbraw/zinc/39/93/22/177399322.db2.gz JZIAIMDPJNHGMK-NXEZZACHSA-N 0 0 231.299 2.177 50 0 BEAARN C[C@]([NH3+])(CCSCc1ccccc1)C(=O)[O-] ZINC000029753873 177444859 /nfs/dbraw/zinc/44/48/59/177444859.db2.gz SPJSMNWJNWKBOQ-LBPRGKRZSA-N 0 0 239.340 2.112 50 0 BEAARN Cc1c(Cl)cnn1Cc1nccs1 ZINC000095435657 177605857 /nfs/dbraw/zinc/60/58/57/177605857.db2.gz JLNIPCIQOBBTDV-UHFFFAOYSA-N 0 0 213.693 2.350 50 0 BEAARN Cc1c(O)cccc1-c1nc([C@@H]2CCOC2)no1 ZINC000096180529 177622281 /nfs/dbraw/zinc/62/22/81/177622281.db2.gz SHDWRYBOEAZSMF-SECBINFHSA-N 0 0 246.266 2.255 50 0 BEAARN Clc1cnn2cc(Br)cnc12 ZINC000498047852 226330150 /nfs/dbraw/zinc/33/01/50/226330150.db2.gz UGDBNHAYHKDWES-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN COC(=O)[C@@]12C=C[C@@H](C1)c1cc(OC)ccc12 ZINC000045071768 262790489 /nfs/dbraw/zinc/79/04/89/262790489.db2.gz XOCPZRFSDNAOOC-XPTSAGLGSA-N 0 0 230.263 2.163 50 0 BEAARN CC(C)CC[NH+](CCC(C)C)CC(=O)[O-] ZINC000199962176 487730316 /nfs/dbraw/zinc/73/03/16/487730316.db2.gz FLUOBZIYLKRDNR-UHFFFAOYSA-N 0 0 215.337 2.465 50 0 BEAARN Cc1ccc(CN(C)[C@H]2C[C@@H](C)OC2=O)c(C)c1 ZINC000107569462 487818307 /nfs/dbraw/zinc/81/83/07/487818307.db2.gz LCGBZLIALHHGHC-OCCSQVGLSA-N 0 0 247.338 2.439 50 0 BEAARN O=S1(=Nc2ccc(O)cc2)CCCC1 ZINC000334163861 487859638 /nfs/dbraw/zinc/85/96/38/487859638.db2.gz PRSRAMQMBXDMPD-UHFFFAOYSA-N 0 0 211.286 2.286 50 0 BEAARN Nc1cccc(-c2nnsc2Cl)c1 ZINC000334163883 487859650 /nfs/dbraw/zinc/85/96/50/487859650.db2.gz TVTWGTHTKJTODD-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN CCCCCN1CC(=O)N[C@H]1c1cccc(O)c1 ZINC000097052962 487860170 /nfs/dbraw/zinc/86/01/70/487860170.db2.gz ZPJOFKALHIQIHH-CQSZACIVSA-N 0 0 248.326 2.013 50 0 BEAARN CCc1ccc(C(=O)N2CCSCC2)o1 ZINC000049215154 487945763 /nfs/dbraw/zinc/94/57/63/487945763.db2.gz WUBKGJJSYAWCNS-UHFFFAOYSA-N 0 0 225.313 2.031 50 0 BEAARN Cc1cc(CNC(=O)c2ccccc2C)no1 ZINC000074791133 323003458 /nfs/dbraw/zinc/00/34/58/323003458.db2.gz XLAACYCEGFOYGK-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN CN(Cc1ccco1)C(=O)Nc1cccnc1 ZINC000048345098 323146285 /nfs/dbraw/zinc/14/62/85/323146285.db2.gz XNXTWPBPYCTRSI-UHFFFAOYSA-N 0 0 231.255 2.339 50 0 BEAARN Cc1ccc(C)c(-c2cnn([C@@H](C)C(N)=O)c2)c1 ZINC000534658770 323157946 /nfs/dbraw/zinc/15/79/46/323157946.db2.gz CCAOFLKGNBPJMC-NSHDSACASA-N 0 0 243.310 2.213 50 0 BEAARN CCCC(=O)CC(=O)NCc1ccccc1 ZINC000036489798 323235847 /nfs/dbraw/zinc/23/58/47/323235847.db2.gz WRBYNNKIIKKSLZ-UHFFFAOYSA-N 0 0 219.284 2.062 50 0 BEAARN Cc1ccc(F)cc1-c1nc(CO)c[nH]1 ZINC000062820507 323236448 /nfs/dbraw/zinc/23/64/48/323236448.db2.gz SWUYXFYBAPKRQW-UHFFFAOYSA-N 0 0 206.220 2.017 50 0 BEAARN Brc1cnccc1CN1CCCC1 ZINC000114603998 487959162 /nfs/dbraw/zinc/95/91/62/487959162.db2.gz GSELNNMCXHZULG-UHFFFAOYSA-N 0 0 241.132 2.440 50 0 BEAARN CC(=O)Cc1cc2ncccc2nc1C ZINC000536959711 323971937 /nfs/dbraw/zinc/97/19/37/323971937.db2.gz SGONJQLWXQJFFC-UHFFFAOYSA-N 0 0 200.241 2.070 50 0 BEAARN Cc1nc(Cl)c(N)cc1Br ZINC000116518276 324185453 /nfs/dbraw/zinc/18/54/53/324185453.db2.gz DRQVDVIHLAGIOC-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]3CCC[C@H]32)O1 ZINC000245952683 325535518 /nfs/dbraw/zinc/53/55/18/325535518.db2.gz BJSUJGZXLNOMER-YVECIDJPSA-N 0 0 237.343 2.345 50 0 BEAARN CCc1nccn1Cc1cnc2ccccn12 ZINC000155380382 326194103 /nfs/dbraw/zinc/19/41/03/326194103.db2.gz RSQJGTLEPPJKFS-UHFFFAOYSA-N 0 0 226.283 2.142 50 0 BEAARN S=C(NCc1ccc2c(c1)CCC2)NC1CC1 ZINC000084459188 488053052 /nfs/dbraw/zinc/05/30/52/488053052.db2.gz FFNPMJAIIYGTBL-UHFFFAOYSA-N 0 0 246.379 2.302 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCc1cccc(N(C)C)c1 ZINC000084686921 488080176 /nfs/dbraw/zinc/08/01/76/488080176.db2.gz BHOUCIBMVXXFAC-ZWNOBZJWSA-N 0 0 232.327 2.025 50 0 BEAARN C=CC(=O)NCc1nc2ccccc2s1 ZINC000036334921 488092748 /nfs/dbraw/zinc/09/27/48/488092748.db2.gz ZHRZQFIQEDGZRE-UHFFFAOYSA-N 0 0 218.281 2.099 50 0 BEAARN CCOCCNC(=O)N(C)[C@@H](C)CC(C)C ZINC000084801354 488100277 /nfs/dbraw/zinc/10/02/77/488100277.db2.gz ZYAYHGBWMCHKON-NSHDSACASA-N 0 0 230.352 2.099 50 0 BEAARN CSCCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067503982 487533068 /nfs/dbraw/zinc/53/30/68/487533068.db2.gz CKDTVPGSUBOLAQ-VXGBXAGGSA-N 0 0 235.352 2.412 50 0 BEAARN Cn1cccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067502785 487533357 /nfs/dbraw/zinc/53/33/57/487533357.db2.gz ZWVWZXPQMQQUBT-QWHCGFSZSA-N 0 0 240.306 2.311 50 0 BEAARN Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000000028531 487470920 /nfs/dbraw/zinc/47/09/20/487470920.db2.gz OAVULPOOAHQYDZ-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Cc1ccc(SCC(=O)C(C)(C)C)nn1 ZINC000585118062 487502903 /nfs/dbraw/zinc/50/29/03/487502903.db2.gz ADSNMUMGOUGWMD-UHFFFAOYSA-N 0 0 224.329 2.492 50 0 BEAARN Cc1cc(C)nc(N(C)CCC2(O)CCCC2)n1 ZINC000670459743 487512314 /nfs/dbraw/zinc/51/23/14/487512314.db2.gz GFYVTAQPAWPHRX-UHFFFAOYSA-N 0 0 249.358 2.225 50 0 BEAARN CCCOC(=O)c1csc(-c2cnccn2)n1 ZINC000077476553 488172504 /nfs/dbraw/zinc/17/25/04/488172504.db2.gz NZSYFKQMSYZORO-UHFFFAOYSA-N 0 0 249.295 2.167 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](O)C2 ZINC000114829740 488209946 /nfs/dbraw/zinc/20/99/46/488209946.db2.gz GGTYYYZFCWRSSG-JGPRNRPPSA-N 0 0 241.331 2.299 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)CCOc1ccccc1 ZINC000078536735 488211546 /nfs/dbraw/zinc/21/15/46/488211546.db2.gz ABSMQPPSBRUITQ-AAEUAGOBSA-N 0 0 233.311 2.180 50 0 BEAARN Cn1cc(CN2CCCCc3sccc32)nn1 ZINC000684772332 488341574 /nfs/dbraw/zinc/34/15/74/488341574.db2.gz RPBSTCJFHWIHNF-UHFFFAOYSA-N 0 0 248.355 2.220 50 0 BEAARN Cc1cncc(N2CCC(F)(F)[C@@H](C)C2)n1 ZINC000335165102 490281433 /nfs/dbraw/zinc/28/14/33/490281433.db2.gz BMFJJTIOJRNOOW-QMMMGPOBSA-N 0 0 227.258 2.267 50 0 BEAARN COC[C@@H](C)Nc1cccc(-c2noc(C)n2)c1 ZINC000097162435 490326146 /nfs/dbraw/zinc/32/61/46/490326146.db2.gz UTRXUJOGZRORMT-SECBINFHSA-N 0 0 247.298 2.492 50 0 BEAARN CC(C)=C(F)C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000090408265 491067245 /nfs/dbraw/zinc/06/72/45/491067245.db2.gz UXWDUFZYRGMLSS-UHFFFAOYSA-N 0 0 248.261 2.468 50 0 BEAARN Cc1nccn1CC(=O)N[C@@H](C)C1=CCCCC1 ZINC000670435770 491105314 /nfs/dbraw/zinc/10/53/14/491105314.db2.gz VTVCSLYQCOHXAP-NSHDSACASA-N 0 0 247.342 2.197 50 0 BEAARN CSc1cccc(-n2cc(C(C)(C)O)nn2)c1 ZINC000132562995 491136872 /nfs/dbraw/zinc/13/68/72/491136872.db2.gz GIVYYFZQQXJAOP-UHFFFAOYSA-N 0 0 249.339 2.217 50 0 BEAARN CN(C)c1ccccc1NC(=O)Nc1cn[nH]c1 ZINC000098025760 522296281 /nfs/dbraw/zinc/29/62/81/522296281.db2.gz LRTTUAMEAHMGKQ-UHFFFAOYSA-N 0 0 245.286 2.120 50 0 BEAARN CC(=O)c1cc(F)c(N)cc1Br ZINC000199543983 518282264 /nfs/dbraw/zinc/28/22/64/518282264.db2.gz DMYQJQJGHRNJCZ-UHFFFAOYSA-N 0 0 232.052 2.373 50 0 BEAARN CC(C)(C(=O)N[C@@H]1CC[C@@H](F)C1)C(F)F ZINC000335342752 534364980 /nfs/dbraw/zinc/36/49/80/534364980.db2.gz AVYZYOHYQLEXQA-RNFRBKRXSA-N 0 0 223.238 2.285 50 0 BEAARN CC(C)C1(CNC(=O)N2CCSCC2)CC1 ZINC000253417466 519550232 /nfs/dbraw/zinc/55/02/32/519550232.db2.gz SFLNHHDRUQMKNP-UHFFFAOYSA-N 0 0 242.388 2.181 50 0 BEAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000245229383 519809003 /nfs/dbraw/zinc/80/90/03/519809003.db2.gz WMCIENSNBKBGKV-FDRIWYBQSA-N 0 0 247.338 2.230 50 0 BEAARN CCN(C(=O)COCc1ccccc1)C1CC1 ZINC000069420278 519917664 /nfs/dbraw/zinc/91/76/64/519917664.db2.gz GYDAKAXZMNHLCP-UHFFFAOYSA-N 0 0 233.311 2.214 50 0 BEAARN CCCCCc1cn(Cc2ccncc2)nn1 ZINC000091858531 520325776 /nfs/dbraw/zinc/32/57/76/520325776.db2.gz VYQGFHIUBNUPMC-UHFFFAOYSA-N 0 0 230.315 2.454 50 0 BEAARN C=CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000064541971 534493759 /nfs/dbraw/zinc/49/37/59/534493759.db2.gz RKDAOTHXZFLKEG-UHFFFAOYSA-N 0 0 244.294 2.110 50 0 BEAARN CC1(CNC(=O)NC2CCCC2)CCOCC1 ZINC000227819573 520717173 /nfs/dbraw/zinc/71/71/73/520717173.db2.gz CUUMSMNMTMDEGZ-UHFFFAOYSA-N 0 0 240.347 2.045 50 0 BEAARN CCCC[C@H](CC)CNC(=O)[C@H]1CCCO1 ZINC000002740160 521179726 /nfs/dbraw/zinc/17/97/26/521179726.db2.gz BALJFIJZWAYPQU-NWDGAFQWSA-N 0 0 227.348 2.498 50 0 BEAARN CCOC(=O)c1cc2ccc[nH]c-2cc1=O ZINC000242750373 521451545 /nfs/dbraw/zinc/45/15/45/521451545.db2.gz ZNZJMAXKSBFHSD-UHFFFAOYSA-N 0 0 217.224 2.117 50 0 BEAARN CCOCCC(=O)NC[C@@H](C)c1ccsc1 ZINC000073371030 521675463 /nfs/dbraw/zinc/67/54/63/521675463.db2.gz XYIPQIYZXCPPAO-SNVBAGLBSA-N 0 0 241.356 2.394 50 0 BEAARN CCOCCC(=O)NC/C=C/c1ccccc1 ZINC000071902896 521675644 /nfs/dbraw/zinc/67/56/44/521675644.db2.gz HDVMZTIHBFNRLX-RMKNXTFCSA-N 0 0 233.311 2.243 50 0 BEAARN CCc1nc(CN(C)[C@H](C)c2cccnc2)no1 ZINC000089289993 522291138 /nfs/dbraw/zinc/29/11/38/522291138.db2.gz VRCQVPPJWHEUCA-SNVBAGLBSA-N 0 0 246.314 2.220 50 0 BEAARN CCc1nc(CN2C[C@H](C)OC[C@H]2C)cs1 ZINC000249042099 522325936 /nfs/dbraw/zinc/32/59/36/522325936.db2.gz CTUFYUJCUZYSQS-ZJUUUORDSA-N 0 0 240.372 2.315 50 0 BEAARN CC(C)(C)NC(=O)N1CCOc2ccccc21 ZINC000064554736 534705806 /nfs/dbraw/zinc/70/58/06/534705806.db2.gz OYDBCKYQRLVBFX-UHFFFAOYSA-N 0 0 234.299 2.394 50 0 BEAARN COc1ccc(Br)c(O)c1 ZINC000002585990 523487491 /nfs/dbraw/zinc/48/74/91/523487491.db2.gz KHGMUWBYGFWGCZ-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN CCn1ccnc1CN(C)C(=O)c1ccsc1 ZINC000220247100 523525800 /nfs/dbraw/zinc/52/58/00/523525800.db2.gz VSNUUJDFNXTGDS-UHFFFAOYSA-N 0 0 249.339 2.237 50 0 BEAARN CC(=O)N1CC(C)(C)Oc2ccccc21 ZINC000041306956 534754451 /nfs/dbraw/zinc/75/44/51/534754451.db2.gz OJNUTKLWRIUNBN-UHFFFAOYSA-N 0 0 205.257 2.211 50 0 BEAARN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cnccn1 ZINC000247887815 524364967 /nfs/dbraw/zinc/36/49/67/524364967.db2.gz UJRKNUKORQAHFI-IAZYJMLFSA-N 0 0 233.315 2.031 50 0 BEAARN C[C@H]1C(=O)N(CCC(C)(C)C)C(=O)[C@@H]1C ZINC000195572896 526199076 /nfs/dbraw/zinc/19/90/76/526199076.db2.gz MHPSOYMHARAAOD-RKDXNWHRSA-N 0 0 211.305 2.064 50 0 BEAARN Cc1csc(=NC(=O)c2ccccc2)n1C ZINC000252674258 526305260 /nfs/dbraw/zinc/30/52/60/526305260.db2.gz RWCDQEQIQPRLCX-UHFFFAOYSA-N 0 0 232.308 2.136 50 0 BEAARN Cc1nnc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 ZINC000252515702 526374394 /nfs/dbraw/zinc/37/43/94/526374394.db2.gz MWSGBHJPUIVVKW-DJLDLDEBSA-N 0 0 239.344 2.072 50 0 BEAARN O=C(NCCc1ccc(F)cc1)NCC1CC1 ZINC000024968689 526408108 /nfs/dbraw/zinc/40/81/08/526408108.db2.gz HWJBJTUIOZVMDL-UHFFFAOYSA-N 0 0 236.290 2.077 50 0 BEAARN CC(C)(C)c1ccc2c(c1)C(=O)C(=O)N2 ZINC000022168904 526791512 /nfs/dbraw/zinc/79/15/12/526791512.db2.gz FQRSABMKACVJDD-UHFFFAOYSA-N 0 0 203.241 2.119 50 0 BEAARN Cc1nccn1C[C@H](C)CSc1ncccn1 ZINC000089735553 527446776 /nfs/dbraw/zinc/44/67/76/527446776.db2.gz FYTKEZKFDROLGA-JTQLQIEISA-N 0 0 248.355 2.410 50 0 BEAARN O=C(NCCCCc1ccccc1)[C@@H]1CCCO1 ZINC000002740714 527655110 /nfs/dbraw/zinc/65/51/10/527655110.db2.gz XGFHDKLOXYRUBE-AWEZNQCLSA-N 0 0 247.338 2.305 50 0 BEAARN CCCC1(CNC(=O)CSC)CCC1 ZINC000177386020 528044502 /nfs/dbraw/zinc/04/45/02/528044502.db2.gz IOYBNAKWZAMIIZ-UHFFFAOYSA-N 0 0 215.362 2.436 50 0 BEAARN CC(F)(F)c1cccc(NC(N)=O)c1 ZINC000336182613 535215164 /nfs/dbraw/zinc/21/51/64/535215164.db2.gz FOXDAFIVIKNGGI-UHFFFAOYSA-N 0 0 200.188 2.289 50 0 BEAARN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC1 ZINC000032731933 535330536 /nfs/dbraw/zinc/33/05/36/535330536.db2.gz LKNNVCFMYKIUKM-UHFFFAOYSA-N 0 0 237.274 2.215 50 0 BEAARN CCCCS(=O)(=O)NCC1CCCCC1 ZINC000013948942 566288217 /nfs/dbraw/zinc/28/82/17/566288217.db2.gz DWYXLPGZXHILGI-UHFFFAOYSA-N 0 0 233.377 2.286 50 0 BEAARN Clc1cccc2c1OCCN2Cc1ncc[nH]1 ZINC000098020326 566473868 /nfs/dbraw/zinc/47/38/68/566473868.db2.gz TYVCULLDBHAVSH-UHFFFAOYSA-N 0 0 249.701 2.462 50 0 BEAARN CC(C)CC(=O)c1nc(C2OCCO2)cs1 ZINC000757126118 582500564 /nfs/dbraw/zinc/50/05/64/582500564.db2.gz VGVIXPJQCNVWCQ-UHFFFAOYSA-N 0 0 241.312 2.417 50 0 BEAARN COc1cc(OC)cc([C@H]2CCN(C(C)=O)C2)c1 ZINC000081639868 583083648 /nfs/dbraw/zinc/08/36/48/583083648.db2.gz WNWYOFKYXILIED-NSHDSACASA-N 0 0 249.310 2.040 50 0 BEAARN Cc1ccc(F)c(N[C@H]2CCNC(=O)CC2)c1 ZINC000888099270 583180811 /nfs/dbraw/zinc/18/08/11/583180811.db2.gz YHRSTUFSKQKDQV-SNVBAGLBSA-N 0 0 236.290 2.215 50 0 BEAARN COC(=O)c1ccc(-c2ccncc2)o1 ZINC000143382468 583920460 /nfs/dbraw/zinc/92/04/60/583920460.db2.gz WDWNQUVOYIQGSU-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN C=CC(=O)N1CCc2ccc(Cl)cc2C1 ZINC000144181142 583926330 /nfs/dbraw/zinc/92/63/30/583926330.db2.gz SIEQAGTWMSKCRN-UHFFFAOYSA-N 0 0 221.687 2.411 50 0 BEAARN C=CC(=O)NC[C@H]1CCCc2cc(OC)ccc21 ZINC000791395370 585980413 /nfs/dbraw/zinc/98/04/13/585980413.db2.gz RSIWIPWRAWUSII-GFCCVEGCSA-N 0 0 245.322 2.417 50 0 BEAARN C=CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000863971239 589330047 /nfs/dbraw/zinc/33/00/47/589330047.db2.gz LCJMKCKOXUTOLU-MGCOHNPYSA-N 0 0 219.259 2.374 50 0 BEAARN C=CC(=O)NC1(Cc2ccc(F)cc2)CC1 ZINC000863971059 589330281 /nfs/dbraw/zinc/33/02/81/589330281.db2.gz DDNLGJVNAKVMOU-UHFFFAOYSA-N 0 0 219.259 2.203 50 0 BEAARN C=CC(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000863971119 589330362 /nfs/dbraw/zinc/33/03/62/589330362.db2.gz FYVDYOFTCRULKX-ZDUSSCGKSA-N 0 0 244.338 2.205 50 0 BEAARN C=CC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000863971278 589330385 /nfs/dbraw/zinc/33/03/85/589330385.db2.gz MSHONPDLYFUARM-ZWKOPEQDSA-N 0 0 233.698 2.280 50 0 BEAARN C=CC(=O)N[C@H]1COc2c1cccc2Cl ZINC000863971435 589330494 /nfs/dbraw/zinc/33/04/94/589330494.db2.gz SZGICWRBDLZGMI-VIFPVBQESA-N 0 0 223.659 2.076 50 0 BEAARN C=CC(=O)Nc1ccnc(-c2ccccc2)n1 ZINC000863971400 589330719 /nfs/dbraw/zinc/33/07/19/589330719.db2.gz RUZKLWVXAZLKAC-UHFFFAOYSA-N 0 0 225.251 2.268 50 0 BEAARN C[C@H](O)c1ccn(Cc2cnc(Cl)s2)n1 ZINC000133766177 591855735 /nfs/dbraw/zinc/85/57/35/591855735.db2.gz FEPCRHHEDYFVEO-LURJTMIESA-N 0 0 243.719 2.095 50 0 BEAARN Cc1c(-c2cncnc2)c(C(F)(F)F)nn1C ZINC000426498801 635727313 /nfs/dbraw/zinc/72/73/13/635727313.db2.gz YRUFMNXYDQGHLZ-UHFFFAOYSA-N 0 0 242.204 2.204 50 0 BEAARN COC(=O)/C=C/c1cc(C)ccc1OC ZINC000039644165 632813270 /nfs/dbraw/zinc/81/32/70/632813270.db2.gz LGMMYQRCYZPGFG-FNORWQNLSA-N 0 0 206.241 2.190 50 0 BEAARN Cc1nc(C)c(-c2nnc3ccccn32)nc1C ZINC000019745138 633793028 /nfs/dbraw/zinc/79/30/28/633793028.db2.gz HGHXABIFLLRVTA-UHFFFAOYSA-N 0 0 239.282 2.112 50 0 BEAARN CCC12C[C@H]3C[C@@H](C1)CC(NC=O)(C3)C2 ZINC000016513144 634037959 /nfs/dbraw/zinc/03/79/59/634037959.db2.gz ZASDKYHQQPTTEO-MPEURRAXSA-N 0 0 207.317 2.481 50 0 BEAARN COCCCn1cc(C=O)c2ccccc21 ZINC000070735349 635228898 /nfs/dbraw/zinc/22/88/98/635228898.db2.gz UQFDWIPHFBIHPN-UHFFFAOYSA-N 0 0 217.268 2.490 50 0 BEAARN C=CC(=O)N1CCCC2(CCSCC2)C1 ZINC000888098556 635376821 /nfs/dbraw/zinc/37/68/21/635376821.db2.gz KLASXAJZUGAYJV-UHFFFAOYSA-N 0 0 225.357 2.308 50 0 BEAARN C=CC(=O)N1CCCC[C@H]1c1ccc(F)cn1 ZINC000888098517 635376889 /nfs/dbraw/zinc/37/68/89/635376889.db2.gz KATFSLSBJXPAEK-LBPRGKRZSA-N 0 0 234.274 2.460 50 0 BEAARN C[Si](C)(C)c1c2cc[nH]c2ncc1F ZINC000169794191 636567616 /nfs/dbraw/zinc/56/76/16/636567616.db2.gz HTTKHFGDRKTCMS-UHFFFAOYSA-N 0 0 208.312 2.247 50 0 BEAARN CC(=O)NC1C(=O)Nc2ccc(Cl)cc21 ZINC000008047959 636642601 /nfs/dbraw/zinc/64/26/01/636642601.db2.gz OMTAQIXNLWINFR-UHFFFAOYSA-N 0 0 224.647 2.485 50 0 BEAARN O=C([O-])[C@H]1CCC[C@@H](C2CCCCC2)[NH2+]1 ZINC000163959624 640431962 /nfs/dbraw/zinc/43/19/62/640431962.db2.gz BJBYQSKVOHCNGF-WDEREUQCSA-N 0 0 211.305 2.162 50 0 BEAARN CCN(CC)c1ccc2c(c1)OCC2=O ZINC000032224241 640824809 /nfs/dbraw/zinc/82/48/09/640824809.db2.gz TXHWKXWJMVVPTG-UHFFFAOYSA-N 0 0 205.257 2.108 50 0 BEAARN Cc1nc2ccc(-c3ccoc3)cc2c(=O)[nH]1 ZINC000032519511 641347131 /nfs/dbraw/zinc/34/71/31/641347131.db2.gz HBXBNLMKZWFIHV-UHFFFAOYSA-N 0 0 226.235 2.492 50 0 BEAARN Cc1nnc(-c2ccccc2-c2cc[nH]n2)o1 ZINC000032590277 641396778 /nfs/dbraw/zinc/39/67/78/641396778.db2.gz CCJRWWBPLYRZGW-UHFFFAOYSA-N 0 0 226.239 2.435 50 0 BEAARN C/C=C\CCNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC000098016139 642657376 /nfs/dbraw/zinc/65/73/76/642657376.db2.gz FTRNHXYITFKIOM-OMMCCPJFSA-N 0 0 249.358 2.288 50 0 BEAARN CC(=O)Oc1cnc2ccc(C)cc2c1 ZINC000000231951 642761405 /nfs/dbraw/zinc/76/14/05/642761405.db2.gz MRFOOQQZPNEBMM-UHFFFAOYSA-N 0 0 201.225 2.469 50 0 BEAARN Cc1nc(C)c(Br)c(C)c1N ZINC000238509737 642817225 /nfs/dbraw/zinc/81/72/25/642817225.db2.gz LWQMPVLNASWTTN-UHFFFAOYSA-N 0 0 215.094 2.352 50 0 BEAARN CN(C)c1nc(-c2ccccc2C#N)ncc1F ZINC000032573478 643420758 /nfs/dbraw/zinc/42/07/58/643420758.db2.gz LWJAMRDNKNFJLB-UHFFFAOYSA-N 0 0 242.257 2.220 50 0 BEAARN O=C1N=NC(c2ccc(Cl)c(Cl)c2)CN1 ZINC000022288931 643667141 /nfs/dbraw/zinc/66/71/41/643667141.db2.gz RVXWYBACCWYSMS-UHFFFAOYSA-N 0 0 244.081 2.010 50 0 BEAARN CN(c1ccc(C(C)(C)C)nn1)[C@H]1CCC[C@H]1O ZINC000952962569 643775513 /nfs/dbraw/zinc/77/55/13/643775513.db2.gz CSHWLUZMQDUWOR-WDEREUQCSA-N 0 0 249.358 2.124 50 0 BEAARN Cc1cccc(Nc2nccn3nccc23)n1 ZINC000952964850 643779109 /nfs/dbraw/zinc/77/91/09/643779109.db2.gz PPBSUDFCJOEHQX-UHFFFAOYSA-N 0 0 225.255 2.176 50 0 BEAARN CCOCCCC(=O)Nc1cnc2[nH]ccc2c1 ZINC000952994631 643788149 /nfs/dbraw/zinc/78/81/49/643788149.db2.gz SCPUDWWKFOYGMS-UHFFFAOYSA-N 0 0 247.298 2.270 50 0 BEAARN COCCSC(=N)Nc1ccccc1OC ZINC000073893983 644144162 /nfs/dbraw/zinc/14/41/62/644144162.db2.gz MHSORMIYZCVNFK-UHFFFAOYSA-N 0 0 240.328 2.421 50 0 BEAARN Cc1nsc(/C=C\c2cn(C(C)(C)C)nn2)n1 ZINC000952994673 644452385 /nfs/dbraw/zinc/45/23/85/644452385.db2.gz FXXIDPDYKVPTAL-WAYWQWQTSA-N 0 0 249.343 2.363 50 0 BEAARN O=C(C1CC1)N1CC[C@@H](c2cccs2)C1 ZINC000827907428 645912719 /nfs/dbraw/zinc/91/27/19/645912719.db2.gz WVVDOLWCUKEYLX-SNVBAGLBSA-N 0 0 221.325 2.474 50 0 BEAARN CC(C)COc1nccc(Br)n1 ZINC000725344944 711664548 /nfs/dbraw/zinc/66/45/48/711664548.db2.gz BZCLVYVNWRMKCP-UHFFFAOYSA-N 0 0 231.093 2.274 50 0 BEAARN COc1ccc(C)cc1[C@@H](C(=O)[O-])[NH+]1CCCC1 ZINC000041303256 710796301 /nfs/dbraw/zinc/79/63/01/710796301.db2.gz RFTIUKNYICONND-ZDUSSCGKSA-N 0 0 249.310 2.225 50 0 BEAARN CC(C)(C)NC(=O)c1sc2ccncc2c1N ZINC000398988453 711417236 /nfs/dbraw/zinc/41/72/36/711417236.db2.gz IWPQDCRVUXCFOF-UHFFFAOYSA-N 0 0 249.339 2.407 50 0 BEAARN NC(=S)c1ccc(Cl)nc1Cl ZINC000083344903 711745265 /nfs/dbraw/zinc/74/52/65/711745265.db2.gz GZHHTHHWYAEPOT-UHFFFAOYSA-N 0 0 207.085 2.023 50 0 BEAARN COc1ccc(C)cc1[C@H](C(=O)[O-])[NH+]1CCCC1 ZINC000041303259 711795388 /nfs/dbraw/zinc/79/53/88/711795388.db2.gz RFTIUKNYICONND-CYBMUJFWSA-N 0 0 249.310 2.225 50 0 BEAARN Nc1cnc(-c2cccc(-c3cc[nH]n3)c2)cn1 ZINC000032537258 711843370 /nfs/dbraw/zinc/84/33/70/711843370.db2.gz IFFJQHWEUOJXBA-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN O=C(c1ccccc1)N1CC[C@H](O)[C@H]2CCC[C@@H]21 ZINC000006996205 711946620 /nfs/dbraw/zinc/94/66/20/711946620.db2.gz ABZIFBVBXURRBG-IHRRRGAJSA-N 0 0 245.322 2.062 50 0 BEAARN Cc1[nH]c2ccccc2c1C(=O)[C@H]1NCCS1 ZINC000034132325 711950986 /nfs/dbraw/zinc/95/09/86/711950986.db2.gz ZBCLMRHRGNFCJX-ZDUSSCGKSA-N 0 0 246.335 2.322 50 0 BEAARN Nc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000036222630 712339610 /nfs/dbraw/zinc/33/96/10/712339610.db2.gz NHBSLQLBMOIQEF-UHFFFAOYSA-N 0 0 243.291 2.234 50 0 BEAARN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C2CCCCC2)[NH2+]1 ZINC000757213805 712583144 /nfs/dbraw/zinc/58/31/44/712583144.db2.gz QZHGIDGLKZIHOG-YUSALJHKSA-N 0 0 225.332 2.408 50 0 BEAARN C=CC(=O)N1CCC[C@H]1c1nc(C)cs1 ZINC000863971351 712620024 /nfs/dbraw/zinc/62/00/24/712620024.db2.gz PWZNXNYOXSFOPA-VIFPVBQESA-N 0 0 222.313 2.301 50 0 BEAARN Cc1cc(NC(=O)/C=C\c2cccs2)n(C)n1 ZINC000098002483 712842764 /nfs/dbraw/zinc/84/27/64/712842764.db2.gz CMMYAYNJDFDDGU-WAYWQWQTSA-N 0 0 247.323 2.442 50 0 BEAARN O=C1C[C@H](c2ccc(Br)s2)CN1 ZINC000687739646 1169136172 /nfs/dbraw/zinc/13/61/72/1169136172.db2.gz AQVVXYCITHQFEI-YFKPBYRVSA-N 0 0 246.129 2.114 50 0 BEAARN FC(F)(F)c1cccnc1O[C@H]1CCOC1 ZINC000585654972 973924201 /nfs/dbraw/zinc/92/42/01/973924201.db2.gz OYYVPDOOTFLQOG-ZETCQYMHSA-N 0 0 233.189 2.268 50 0 BEAARN Cc1cc(C2(C(=O)NC3CCCC3)CC2)no1 ZINC000409417760 972009139 /nfs/dbraw/zinc/00/91/39/972009139.db2.gz MEHUDJDVSWWXMK-UHFFFAOYSA-N 0 0 234.299 2.073 50 0 BEAARN C=CC(=O)NCc1coc(-c2ccccc2)n1 ZINC000585079669 972111989 /nfs/dbraw/zinc/11/19/89/972111989.db2.gz TUQFJCZRSMKICN-UHFFFAOYSA-N 0 0 228.251 2.144 50 0 BEAARN C/C(=C\C(=O)OCCCc1nccn1C)C1CC1 ZINC000585079574 972112065 /nfs/dbraw/zinc/11/20/65/972112065.db2.gz IYKVKXLYPDUQQB-ZHACJKMWSA-N 0 0 248.326 2.252 50 0 BEAARN CCCOC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000585114897 972144052 /nfs/dbraw/zinc/14/40/52/972144052.db2.gz DVBDDDVQWCQFBV-QMMMGPOBSA-N 0 0 240.303 2.359 50 0 BEAARN C[C@@H]1C[C@H](Nc2cnn3ccccc23)CCO1 ZINC000585118545 972148872 /nfs/dbraw/zinc/14/88/72/972148872.db2.gz SYQFCKSBRBKFHI-GHMZBOCLSA-N 0 0 231.299 2.314 50 0 BEAARN C[C@H]1C[C@H](Nc2cnn3ccccc23)CCO1 ZINC000585118548 972148993 /nfs/dbraw/zinc/14/89/93/972148993.db2.gz SYQFCKSBRBKFHI-WDEREUQCSA-N 0 0 231.299 2.314 50 0 BEAARN CCn1cc(N(CC(C)C)C(=O)C(F)F)cn1 ZINC000585125118 972157743 /nfs/dbraw/zinc/15/77/43/972157743.db2.gz HMONHPZCQLEQTN-UHFFFAOYSA-N 0 0 245.273 2.157 50 0 BEAARN CO[C@H](C)[C@H](C)Sc1nnc(N(C)C)s1 ZINC000585133099 972170647 /nfs/dbraw/zinc/17/06/47/972170647.db2.gz SQDAPAIBOAFVRH-RQJHMYQMSA-N 0 0 247.389 2.120 50 0 BEAARN Cc1cc(N)nc(SC2CCSCC2)n1 ZINC000585119266 958450958 /nfs/dbraw/zinc/45/09/58/958450958.db2.gz ZRSGDAXEKQUTJP-UHFFFAOYSA-N 0 0 241.385 2.185 50 0 BEAARN C/C(=C\C(=O)NCc1cnn(C)c1C)C(C)(C)C ZINC000584908265 960114938 /nfs/dbraw/zinc/11/49/38/960114938.db2.gz QCGJHTLWCKFQID-JXMROGBWSA-N 0 0 249.358 2.337 50 0 BEAARN Cc1ccn(-c2cccc([C@H](C)O)c2)n1 ZINC000199375659 963543028 /nfs/dbraw/zinc/54/30/28/963543028.db2.gz PALNPMVZZNIETA-JTQLQIEISA-N 0 0 202.257 2.234 50 0 BEAARN CCOC(=O)c1cc(C(C)C)nc(Cl)n1 ZINC000669371542 963859501 /nfs/dbraw/zinc/85/95/01/963859501.db2.gz FLXZQLGCALRLFO-UHFFFAOYSA-N 0 0 228.679 2.430 50 0 BEAARN CN(CC[C@H]1CCCCO1)c1ncc(F)cn1 ZINC001506399200 964388709 /nfs/dbraw/zinc/38/87/09/964388709.db2.gz BOKISPBVEKVPQF-LLVKDONJSA-N 0 0 239.294 2.011 50 0 BEAARN Cc1noc(C)c1-c1ccc(C(=O)NC2CC2)o1 ZINC000032565198 965522993 /nfs/dbraw/zinc/52/29/93/965522993.db2.gz JDLFUBBHIZYBNH-UHFFFAOYSA-N 0 0 246.266 2.444 50 0 BEAARN CCOC(=O)c1c(N)c2c(cccc2F)n1C ZINC000166526851 968156367 /nfs/dbraw/zinc/15/63/67/968156367.db2.gz OBVTTZRRMNZFOJ-UHFFFAOYSA-N 0 0 236.246 2.076 50 0 BEAARN CC(C)c1noc([C@H](C)NC(=O)c2cc[nH]c2)n1 ZINC000822285023 968512935 /nfs/dbraw/zinc/51/29/35/968512935.db2.gz HSZPQSZMMIXPLP-QMMMGPOBSA-N 0 0 248.286 2.012 50 0 BEAARN CC[C@@H](C(=O)NCc1cccs1)[N@H+](C)CC ZINC000822555714 968526162 /nfs/dbraw/zinc/52/61/62/968526162.db2.gz CAHQGVDLDOENOC-NSHDSACASA-N 0 0 240.372 2.095 50 0 BEAARN Oc1ccc(-c2cc[nH]n2)cc1-c1ccno1 ZINC000828919790 968813811 /nfs/dbraw/zinc/81/38/11/968813811.db2.gz LMLMWSNCCJVTDJ-UHFFFAOYSA-N 0 0 227.223 2.437 50 0 BEAARN C[C@@H](NC(=O)c1cncc(O)c1)C1=CCCCC1 ZINC000828930860 968819073 /nfs/dbraw/zinc/81/90/73/968819073.db2.gz YEIOQZQYTVGEFC-SNVBAGLBSA-N 0 0 246.310 2.406 50 0 BEAARN Cc1ccc(-c2c[nH]c([C@H]3CNC(=O)C3)n2)s1 ZINC000200549456 970124410 /nfs/dbraw/zinc/12/44/10/970124410.db2.gz RRBOZBRGAHHIPL-MRVPVSSYSA-N 0 0 247.323 2.050 50 0 BEAARN Cc1cc(C)nc(OC2CCSCC2)n1 ZINC000585651493 973919069 /nfs/dbraw/zinc/91/90/69/973919069.db2.gz OQKFQPCWZXJWOU-UHFFFAOYSA-N 0 0 224.329 2.368 50 0 BEAARN Clc1cccnc1OC[C@H]1CCCO1 ZINC000585655265 973926861 /nfs/dbraw/zinc/92/68/61/973926861.db2.gz ZLRMBJKPYKNWOY-MRVPVSSYSA-N 0 0 213.664 2.293 50 0 BEAARN CC[C@H](C)Cc1nc(C2(C)COC2)n(CC)n1 ZINC000952869602 974048306 /nfs/dbraw/zinc/04/83/06/974048306.db2.gz JZRJNYDBPNPKPP-JTQLQIEISA-N 0 0 237.347 2.175 50 0 BEAARN C[C@H](c1ccccn1)N(C)Cc1cccnc1N ZINC000952868851 974049157 /nfs/dbraw/zinc/04/91/57/974049157.db2.gz HZWBVBUPPNVSJL-LLVKDONJSA-N 0 0 242.326 2.252 50 0 BEAARN CC[C@@H](C)Cc1nc(C2(C)COC2)n(CC)n1 ZINC000952869603 974052623 /nfs/dbraw/zinc/05/26/23/974052623.db2.gz JZRJNYDBPNPKPP-SNVBAGLBSA-N 0 0 237.347 2.175 50 0 BEAARN Cc1[nH]nnc1NCc1ccccc1C ZINC000952848225 974053015 /nfs/dbraw/zinc/05/30/15/974053015.db2.gz DDNAERBVPPMZKK-UHFFFAOYSA-N 0 0 202.261 2.034 50 0 BEAARN Cc1ccnc2c(OCC[C@H](C)O)ccnc12 ZINC000952880087 974054693 /nfs/dbraw/zinc/05/46/93/974054693.db2.gz BWNPXVJGYMXYEC-JTQLQIEISA-N 0 0 232.283 2.088 50 0 BEAARN CC(C)(C)OC(=O)Nc1cnn2c1NCCC2 ZINC000642882204 986574295 /nfs/dbraw/zinc/57/42/95/986574295.db2.gz BGNSIHROHZERFD-UHFFFAOYSA-N 0 0 238.291 2.046 50 0 BEAARN S=C(Oc1cccnc1)Oc1cccnc1 ZINC000642882250 986575104 /nfs/dbraw/zinc/57/51/04/986575104.db2.gz JUJDBTBSHNUWRE-UHFFFAOYSA-N 0 0 232.264 2.219 50 0 BEAARN COc1ccc(C)cc1-c1cnc2nncn2c1 ZINC001506397693 988770403 /nfs/dbraw/zinc/77/04/03/988770403.db2.gz XWUGUTFIHMJQSR-UHFFFAOYSA-N 0 0 240.266 2.108 50 0 BEAARN CC[N@@H+](Cc1[nH]cnc1C)C[C@H]1CCCCO1 ZINC001506404056 988770452 /nfs/dbraw/zinc/77/04/52/988770452.db2.gz RRPMVIAFETWKDW-GFCCVEGCSA-N 0 0 237.347 2.109 50 0 BEAARN CCCCn1nc(C)cc1NC(=O)c1ccno1 ZINC001506413208 988780669 /nfs/dbraw/zinc/78/06/69/988780669.db2.gz IDAGZVMDXHDNJL-UHFFFAOYSA-N 0 0 248.286 2.232 50 0 BEAARN CCN(Cc1cnn(CC)c1)c1ccncc1F ZINC001529118416 990330454 /nfs/dbraw/zinc/33/04/54/990330454.db2.gz KLZQLWBFPGAOEF-UHFFFAOYSA-N 0 0 248.305 2.464 50 0 BEAARN CCc1cc(NCc2nc(C)c(C)o2)ncn1 ZINC000226529360 991380215 /nfs/dbraw/zinc/38/02/15/991380215.db2.gz BDVKTTRAYARHPV-UHFFFAOYSA-N 0 0 232.287 2.256 50 0 BEAARN COc1ccc2[nH]cc(Br)c2n1 ZINC000014985946 136208279 /nfs/dbraw/zinc/20/82/79/136208279.db2.gz HSUOJZLKCIEBLJ-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN Cc1cc(C)nc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000089599442 177938312 /nfs/dbraw/zinc/93/83/12/177938312.db2.gz NOMODSJDPNITDZ-RYUDHWBXSA-N 0 0 217.316 2.330 50 0 BEAARN C[C@H](C(=O)Nc1cnccn1)c1cccs1 ZINC000097379871 322988231 /nfs/dbraw/zinc/98/82/31/322988231.db2.gz SLUKBNIUPZPROP-QMMMGPOBSA-N 0 0 233.296 2.280 50 0 BEAARN Cc1cc(C)nc(NC(=O)Nc2cnn(C)c2)c1 ZINC000097143086 177941342 /nfs/dbraw/zinc/94/13/42/177941342.db2.gz NEOZLRHDZHBCOI-UHFFFAOYSA-N 0 0 245.286 2.076 50 0 BEAARN Cc1cc(CN(C)C(=O)[C@H]2CC=CCC2)no1 ZINC000040505361 177970275 /nfs/dbraw/zinc/97/02/75/177970275.db2.gz RSXZFXXYBANCSX-NSHDSACASA-N 0 0 234.299 2.298 50 0 BEAARN COC(=O)CCNc1nc(C)cc(C2CCC2)n1 ZINC000071762319 398159119 /nfs/dbraw/zinc/15/91/19/398159119.db2.gz FKMPFEOEQHTBTE-UHFFFAOYSA-N 0 0 249.314 2.028 50 0 BEAARN Cc1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000133878833 398174870 /nfs/dbraw/zinc/17/48/70/398174870.db2.gz QPJFUKZNRDJVCH-UHFFFAOYSA-N 0 0 228.295 2.369 50 0 BEAARN Cc1cc(CNc2ncccc2F)on1 ZINC000054700876 178044635 /nfs/dbraw/zinc/04/46/35/178044635.db2.gz UFFSOLVELHKIKL-UHFFFAOYSA-N 0 0 207.208 2.129 50 0 BEAARN O=C1C2CCN(CC2)[C@@H]1Cc1ccccc1F ZINC000072117201 398177848 /nfs/dbraw/zinc/17/78/48/398177848.db2.gz DSYKXBLWNRQMSL-CYBMUJFWSA-N 0 0 233.286 2.032 50 0 BEAARN Cc1cc(COC(=O)c2cccc(O)c2)on1 ZINC000008525220 178047781 /nfs/dbraw/zinc/04/77/81/178047781.db2.gz CIGGDRREJOJZNV-UHFFFAOYSA-N 0 0 233.223 2.046 50 0 BEAARN Cc1cc(-c2cccc3ccnn32)cnc1N ZINC000072154716 398178977 /nfs/dbraw/zinc/17/89/77/398178977.db2.gz XQMNFRGZOURHMC-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN Cc1cc(COc2nc(C(C)(C)C)no2)on1 ZINC000071886202 178050905 /nfs/dbraw/zinc/05/09/05/178050905.db2.gz DFKHIDNSXCBLBV-UHFFFAOYSA-N 0 0 237.259 2.243 50 0 BEAARN Cc1cc(CS[C@@H]2CCO[C@@H]2C)no1 ZINC000095974153 178052231 /nfs/dbraw/zinc/05/22/31/178052231.db2.gz PUQZKTBAOXMEBJ-PSASIEDQSA-N 0 0 213.302 2.394 50 0 BEAARN Cc1cc(C[C@H](C)Nc2nc(C)cc(C)n2)n[nH]1 ZINC000065370272 178058130 /nfs/dbraw/zinc/05/81/30/178058130.db2.gz LRZBEZTZQDLJAJ-JTQLQIEISA-N 0 0 245.330 2.168 50 0 BEAARN Cc1cc(Cn2ccnc2-c2ccccn2)no1 ZINC000071888745 178074481 /nfs/dbraw/zinc/07/44/81/178074481.db2.gz SKLAACBEWODXGB-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN Cc1cc(Cn2ncc(Cl)c2C)no1 ZINC000089605066 178074873 /nfs/dbraw/zinc/07/48/73/178074873.db2.gz LZVTVZAWBKMEGC-UHFFFAOYSA-N 0 0 211.652 2.190 50 0 BEAARN Cc1cc(Cn2nc(C3CC3)nc2C2CC2)on1 ZINC000179006138 178074989 /nfs/dbraw/zinc/07/49/89/178074989.db2.gz ZVVLVIRGCULPEV-UHFFFAOYSA-N 0 0 244.298 2.378 50 0 BEAARN O=C1c2ccncc2C(=O)N1C1CCCCC1 ZINC000001075817 398193818 /nfs/dbraw/zinc/19/38/18/398193818.db2.gz NRFVKFHVODKZOL-UHFFFAOYSA-N 0 0 230.267 2.010 50 0 BEAARN Cc1cc(N)ccc1OC[C@H]1CCCO1 ZINC000014630478 178107070 /nfs/dbraw/zinc/10/70/70/178107070.db2.gz NDKKLADFIPZRHF-LLVKDONJSA-N 0 0 207.273 2.135 50 0 BEAARN Cc1cc(N)nn1-c1ccccc1Cl ZINC000054404741 178111042 /nfs/dbraw/zinc/11/10/42/178111042.db2.gz UWTAAGCNRMXMMZ-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN Cc1cc(NC(=O)NCCc2ccccc2)no1 ZINC000009253618 178138538 /nfs/dbraw/zinc/13/85/38/178138538.db2.gz PCWIIFPORSJZJA-UHFFFAOYSA-N 0 0 245.282 2.347 50 0 BEAARN CCC(CC)C(=O)NC1N=NC(=S)S1 ZINC000006050674 168342783 /nfs/dbraw/zinc/34/27/83/168342783.db2.gz XYPWNXXERNBUPZ-UHFFFAOYSA-N 0 0 231.346 2.202 50 0 BEAARN Cc1cc(NC(=O)CCc2ccncc2)sn1 ZINC000176836568 178128227 /nfs/dbraw/zinc/12/82/27/178128227.db2.gz NCWGMZYPGRUKIR-UHFFFAOYSA-N 0 0 247.323 2.418 50 0 BEAARN Cc1cc(NC(=O)CCc2ccco2)no1 ZINC000025631587 178128687 /nfs/dbraw/zinc/12/86/87/178128687.db2.gz MAZKEPUTLCGUJH-UHFFFAOYSA-N 0 0 220.228 2.147 50 0 BEAARN Cc1cc(NC(=O)COc2ccccc2)sn1 ZINC000044454004 178132247 /nfs/dbraw/zinc/13/22/47/178132247.db2.gz DEOVVBKDGFGHSB-UHFFFAOYSA-N 0 0 248.307 2.469 50 0 BEAARN Cc1cc(NC(=O)CSc2ccccn2)no1 ZINC000000069590 178132331 /nfs/dbraw/zinc/13/23/31/178132331.db2.gz ABJUUYWRQMFHCC-UHFFFAOYSA-N 0 0 249.295 2.109 50 0 BEAARN Cc1cc(NC(=O)COc2ccccc2)no1 ZINC000000116333 178133309 /nfs/dbraw/zinc/13/33/09/178133309.db2.gz AQJISUKURKPYBV-UHFFFAOYSA-N 0 0 232.239 2.001 50 0 BEAARN Cc1cc(NC(=O)Cc2cccs2)no1 ZINC000000116298 178133878 /nfs/dbraw/zinc/13/38/78/178133878.db2.gz OPYMOTLKQFPQGP-UHFFFAOYSA-N 0 0 222.269 2.226 50 0 aggregator BEAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n[nH]1 ZINC000048607474 178134491 /nfs/dbraw/zinc/13/44/91/178134491.db2.gz ZSMDRCGYYKCMAJ-UHFFFAOYSA-N 0 0 233.246 2.038 50 0 BEAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)nn1C ZINC000028573721 178134760 /nfs/dbraw/zinc/13/47/60/178134760.db2.gz FHSUUOFMNNZTCG-UHFFFAOYSA-N 0 0 247.273 2.049 50 0 BEAARN Cc1cc(-c2nc([C@H]3CCOC3)no2)ccc1O ZINC000096138072 398208785 /nfs/dbraw/zinc/20/87/85/398208785.db2.gz VKZHTWHLLKBDED-JTQLQIEISA-N 0 0 246.266 2.255 50 0 BEAARN Cc1nccc(C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000261507515 398209051 /nfs/dbraw/zinc/20/90/51/398209051.db2.gz JKOAKTHKLPQHAR-UHFFFAOYSA-N 0 0 249.314 2.119 50 0 BEAARN Cc1cc(NC(=O)OCC(F)(F)F)on1 ZINC000047844075 178143134 /nfs/dbraw/zinc/14/31/34/178143134.db2.gz BWZHUIIXDSEQLE-UHFFFAOYSA-N 0 0 224.138 2.094 50 0 BEAARN Cc1cc(NC(=O)[C@@H]2CC=CCC2)no1 ZINC000040462812 178143830 /nfs/dbraw/zinc/14/38/30/178143830.db2.gz AXDYZJBCDDBNHB-SECBINFHSA-N 0 0 206.245 2.278 50 0 BEAARN Cc1cc(NC(=O)c2cc(C)oc2C)no1 ZINC000000355939 178148677 /nfs/dbraw/zinc/14/86/77/178148677.db2.gz HCVXRTMGFNOIFA-UHFFFAOYSA-N 0 0 220.228 2.445 50 0 BEAARN CCC(CC)C(=O)c1c[nH]c(C(=O)OC)c1 ZINC000001403959 168343082 /nfs/dbraw/zinc/34/30/82/168343082.db2.gz OEWHHJMDKQNSNB-UHFFFAOYSA-N 0 0 223.272 2.420 50 0 BEAARN Cc1cc(NC(=O)c2ccc3[nH]cnc3c2)no1 ZINC000004809661 178149858 /nfs/dbraw/zinc/14/98/58/178149858.db2.gz QDONCUPQWJQEGE-UHFFFAOYSA-N 0 0 242.238 2.112 50 0 BEAARN Cc1ccc(C(=O)Nc2cc(C)on2)o1 ZINC000002746561 178150163 /nfs/dbraw/zinc/15/01/63/178150163.db2.gz DCZBVUSILFMTPT-UHFFFAOYSA-N 0 0 206.201 2.137 50 0 BEAARN Cc1cc(NC(=O)c2ccccc2O)nc(C)n1 ZINC000000381993 178150920 /nfs/dbraw/zinc/15/09/20/178150920.db2.gz CZKYTNHOHJZWIE-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN Cc1cc(NC(=O)c2ccccc2F)no1 ZINC000000031009 178151074 /nfs/dbraw/zinc/15/10/74/178151074.db2.gz OEDVVTWBDXKWTI-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1c([C@H](O)C(Cl)(Cl)Cl)cnn1C ZINC000074934392 398209972 /nfs/dbraw/zinc/20/99/72/398209972.db2.gz OKWUIVWVNIYPQV-LURJTMIESA-N 0 0 243.521 2.132 50 0 BEAARN CSc1cnn(-c2ccccc2)c1N ZINC000074941937 398211055 /nfs/dbraw/zinc/21/10/55/398211055.db2.gz AENOHJSNAVEPLG-UHFFFAOYSA-N 0 0 205.286 2.176 50 0 BEAARN COc1ccc(N)cc1Br ZINC000000570547 259300757 /nfs/dbraw/zinc/30/07/57/259300757.db2.gz NMUFTXMBONJQTC-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN Cc1cc(NCc2ccccc2)c2nncn2n1 ZINC000004488345 178172648 /nfs/dbraw/zinc/17/26/48/178172648.db2.gz DIASBZPTFQWWMM-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN Cc1cc(O)c2c(=O)n(-c3ccccc3)nc-2[nH]1 ZINC000100166310 178196926 /nfs/dbraw/zinc/19/69/26/178196926.db2.gz VWGDCQHLEMVONU-UHFFFAOYSA-N 0 0 241.250 2.140 50 0 BEAARN Cc1cc(OCC(=O)N(C)C)ccc1Cl ZINC000020117137 178207623 /nfs/dbraw/zinc/20/76/23/178207623.db2.gz NXNITBTYTXMVOC-UHFFFAOYSA-N 0 0 227.691 2.115 50 0 BEAARN Cc1cc(O[C@H](C)C(N)=O)cc(C(C)C)c1 ZINC000016046957 178213603 /nfs/dbraw/zinc/21/36/03/178213603.db2.gz NESFMWXLIBGQQQ-SNVBAGLBSA-N 0 0 221.300 2.371 50 0 BEAARN Cc1cc(Oc2ccccc2)nc(N)n1 ZINC000000040344 178216112 /nfs/dbraw/zinc/21/61/12/178216112.db2.gz VEGJCRCNLPQRRQ-UHFFFAOYSA-N 0 0 201.229 2.160 50 0 BEAARN Cc1cc(S(=O)(=O)NC(C)C)ccc1Cl ZINC000032601723 178217406 /nfs/dbraw/zinc/21/74/06/178217406.db2.gz DQYOLWMYKWSDQG-UHFFFAOYSA-N 0 0 247.747 2.335 50 0 BEAARN Cc1cc(SCCn2ccnc2)nc(C)n1 ZINC000097230140 178217802 /nfs/dbraw/zinc/21/78/02/178217802.db2.gz KPPXVJLWVZWHSZ-UHFFFAOYSA-N 0 0 234.328 2.082 50 0 BEAARN Cc1nnc(CSc2cc(C)nc(C)n2)o1 ZINC000040090166 178217869 /nfs/dbraw/zinc/21/78/69/178217869.db2.gz XTYWSWDHVVUGMC-UHFFFAOYSA-N 0 0 236.300 2.077 50 0 BEAARN Cc1cc(SCC(N)=O)nc2ccccc12 ZINC000000375388 178218391 /nfs/dbraw/zinc/21/83/91/178218391.db2.gz LRRNTYJDOASKBI-UHFFFAOYSA-N 0 0 232.308 2.121 50 0 BEAARN Cc1cc(SCc2ccncc2)ncn1 ZINC000049026052 178218431 /nfs/dbraw/zinc/21/84/31/178218431.db2.gz HRHWWLWBHCUHHE-UHFFFAOYSA-N 0 0 217.297 2.472 50 0 BEAARN Cc1cc(S[C@@H]2CCO[C@@H]2C)ncn1 ZINC000096484036 178219284 /nfs/dbraw/zinc/21/92/84/178219284.db2.gz OUSLERQSKDTGFE-RKDXNWHRSA-N 0 0 210.302 2.055 50 0 BEAARN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1ncnn1C ZINC000170604363 361792027 /nfs/dbraw/zinc/79/20/27/361792027.db2.gz SPZXMWMJAUGDFB-CHWSQXEVSA-N 0 0 248.374 2.239 50 0 BEAARN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1ncnn1C ZINC000170604362 361792280 /nfs/dbraw/zinc/79/22/80/361792280.db2.gz SPZXMWMJAUGDFB-STQMWFEESA-N 0 0 248.374 2.239 50 0 BEAARN C[C@@H](O)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000097113273 398237247 /nfs/dbraw/zinc/23/72/47/398237247.db2.gz RAUMGKQAWQJBKF-GFCCVEGCSA-N 0 0 247.338 2.039 50 0 BEAARN Cc1cc([C@H]2CCCN2C(=O)C2CCC2)no1 ZINC000044633340 178266832 /nfs/dbraw/zinc/26/68/32/178266832.db2.gz OJGDNKPJDRACML-GFCCVEGCSA-N 0 0 234.299 2.447 50 0 BEAARN FC(F)(F)c1csc(N2CCCO2)n1 ZINC000097109569 398238775 /nfs/dbraw/zinc/23/87/75/398238775.db2.gz CCYULYDKZQVYAA-UHFFFAOYSA-N 0 0 224.207 2.304 50 0 BEAARN Cc1cc2c(cc1C)N[C@@H](C)CC(=O)N2 ZINC000000067183 178284984 /nfs/dbraw/zinc/28/49/84/178284984.db2.gz XLCUHBZBXLYRMW-VIFPVBQESA-N 0 0 204.273 2.446 50 0 BEAARN Cc1ccc2c(c1)OCCN2Cc1cc[nH]n1 ZINC000097143311 398245056 /nfs/dbraw/zinc/24/50/56/398245056.db2.gz RUMFVKCOALQFNM-UHFFFAOYSA-N 0 0 229.283 2.117 50 0 BEAARN Cc1cc2nc(N)oc2cc1Br ZINC000062529379 178301873 /nfs/dbraw/zinc/30/18/73/178301873.db2.gz XWNUMNFTRWBRMU-UHFFFAOYSA-N 0 0 227.061 2.481 50 0 BEAARN Cc1cc2nc(N3CCC3)c3ccccc3n2n1 ZINC000045725733 178302395 /nfs/dbraw/zinc/30/23/95/178302395.db2.gz LZHQCXOABGIWQN-UHFFFAOYSA-N 0 0 238.294 2.401 50 0 BEAARN Cc1nn2cc(-c3ccc(C)c(C)c3)cc2n1N ZINC000027752571 178322196 /nfs/dbraw/zinc/32/21/96/178322196.db2.gz FEMCWSVHNOPMFT-UHFFFAOYSA-N 0 0 240.310 2.442 50 0 BEAARN Cc1ccc(-c2nc(C(=O)N(C)C)cs2)n1C ZINC000064551785 178333073 /nfs/dbraw/zinc/33/30/73/178333073.db2.gz ZTOFUIYPGCYVQN-UHFFFAOYSA-N 0 0 249.339 2.159 50 0 BEAARN Cc1ccc(C2N=NC(=S)N2C)s1 ZINC000016958075 178340651 /nfs/dbraw/zinc/34/06/51/178340651.db2.gz HGZUIOBEODWLSX-UHFFFAOYSA-N 0 0 211.315 2.141 50 0 BEAARN Cc1ccc(-c2nnn(C(C)C)n2)cc1 ZINC000040161764 178342157 /nfs/dbraw/zinc/34/21/57/178342157.db2.gz OTGOPSIRQIASOP-UHFFFAOYSA-N 0 0 202.261 2.229 50 0 BEAARN Cc1ccc(-n2[nH]c(=O)c3cccnc32)cc1 ZINC000001397117 178344480 /nfs/dbraw/zinc/34/44/80/178344480.db2.gz RVMYCAZASWLQEQ-UHFFFAOYSA-N 0 0 225.251 2.022 50 0 BEAARN Cc1nn(CC2CC2)c(=O)n1-c1ccc(C)cc1 ZINC000001385044 178346346 /nfs/dbraw/zinc/34/63/46/178346346.db2.gz YMVXZISIXMJOOQ-UHFFFAOYSA-N 0 0 243.310 2.061 50 0 BEAARN CC[C@@H](C)CN(C)c1ccnc(N(C)C)n1 ZINC000077219674 398254803 /nfs/dbraw/zinc/25/48/03/398254803.db2.gz KICZLQXVQSRTAR-SNVBAGLBSA-N 0 0 222.336 2.025 50 0 BEAARN CC(=O)c1cc(C(=O)N2CCCC[C@@H]2C)n(C)c1 ZINC000032843853 259311392 /nfs/dbraw/zinc/31/13/92/259311392.db2.gz WBXCWIOQXFRDPW-JTQLQIEISA-N 0 0 248.326 2.242 50 0 BEAARN Cc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000012409475 178355873 /nfs/dbraw/zinc/35/58/73/178355873.db2.gz VUXDSWRSGDQYRJ-TWGQIWQCSA-N 0 0 219.265 2.319 50 0 BEAARN Cc1ccc(/C=C/C(=O)Nc2nnc(C)s2)o1 ZINC000000476936 178354901 /nfs/dbraw/zinc/35/49/01/178354901.db2.gz ACVXRKPGXVRBGS-AATRIKPKSA-N 0 0 249.295 2.400 50 0 BEAARN CC(=O)c1cccc(-c2nccn2C)c1 ZINC000032598390 538950682 /nfs/dbraw/zinc/95/06/82/538950682.db2.gz KWGFDLFPLBJIAF-UHFFFAOYSA-N 0 0 200.241 2.290 50 0 BEAARN Cc1ccc(C(=O)N(C)Cc2ccnn2C)cc1 ZINC000002795578 178377790 /nfs/dbraw/zinc/37/77/90/178377790.db2.gz ZLEARBUHZIYDIB-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN Cc1ccc(C(=O)N2CCC=C(F)C2)o1 ZINC000272114422 178385273 /nfs/dbraw/zinc/38/52/73/178385273.db2.gz PEWYVJKSHFEQLR-UHFFFAOYSA-N 0 0 209.220 2.287 50 0 BEAARN Cc1ccc(C(N)=O)cc1OC[C@@H]1CCCO1 ZINC000330561904 178369003 /nfs/dbraw/zinc/36/90/03/178369003.db2.gz IMPHFJRNVSJRBO-NSHDSACASA-N 0 0 235.283 2.436 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@H](CO)C2)c(C)c1 ZINC000012975723 178390553 /nfs/dbraw/zinc/39/05/53/178390553.db2.gz XNBHJPZRGBNUMT-ZDUSSCGKSA-N 0 0 247.338 2.148 50 0 BEAARN Cc1ccc(C(=O)NC2=NCCS2)c(C)c1 ZINC000015480389 178401255 /nfs/dbraw/zinc/40/12/55/178401255.db2.gz JIKBTECYUVNDKF-UHFFFAOYSA-N 0 0 234.324 2.136 50 0 BEAARN CC(C)(C)c1cc(F)c2c(cn[nH]c2=O)c1 ZINC000081991258 398271555 /nfs/dbraw/zinc/27/15/55/398271555.db2.gz UQLKXNSVRRFDGE-UHFFFAOYSA-N 0 0 220.247 2.360 50 0 BEAARN CN(C)c1nc(-c2ccccc2)ns1 ZINC000000074716 342672907 /nfs/dbraw/zinc/67/29/07/342672907.db2.gz WJSYQWGVCFCCKI-UHFFFAOYSA-N 0 0 205.286 2.271 50 0 BEAARN COC(=O)CCNc1ccc(Cl)cc1 ZINC000000079653 342673070 /nfs/dbraw/zinc/67/30/70/342673070.db2.gz HOYJDYNGHUMQFU-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN O=C1C=CC(=O)N1c1ccccc1C(F)(F)F ZINC000000078394 342673138 /nfs/dbraw/zinc/67/31/38/342673138.db2.gz ZDJBEIFRRVXFFW-UHFFFAOYSA-N 0 0 241.168 2.135 50 0 BEAARN CSc1nc2c(C)csc2c(=O)n1C ZINC000000082288 342673232 /nfs/dbraw/zinc/67/32/32/342673232.db2.gz ZTUWFMXQIPTGBN-UHFFFAOYSA-N 0 0 226.326 2.025 50 0 BEAARN Clc1[nH]nc2cc(Br)cnc12 ZINC000205649140 398273686 /nfs/dbraw/zinc/27/36/86/398273686.db2.gz CRVHTONMLNVIRT-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CCOc1cc(C=O)ccc1OC(=O)CC ZINC000000088486 342673691 /nfs/dbraw/zinc/67/36/91/342673691.db2.gz MYFUIYHUKGKRTC-UHFFFAOYSA-N 0 0 222.240 2.213 50 0 biogenic BEAARN Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000000086624 342673744 /nfs/dbraw/zinc/67/37/44/342673744.db2.gz KIZWUMGELVDUQL-UHFFFAOYSA-N 0 0 208.261 2.455 50 0 BEAARN Cc1c(Cl)cccc1N1C(=O)C=CC1=O ZINC000000096614 342674130 /nfs/dbraw/zinc/67/41/30/342674130.db2.gz XQCSESYNWRKWCB-UHFFFAOYSA-N 0 0 221.643 2.078 50 0 BEAARN CSc1cc(-c2nccs2)nn1C(C)=O ZINC000000108728 342674760 /nfs/dbraw/zinc/67/47/60/342674760.db2.gz POQPVXWFJRNSAU-UHFFFAOYSA-N 0 0 239.325 2.389 50 0 BEAARN Cc1c(C)c(=O)oc2c(C)c(O)ccc12 ZINC000000120374 342675452 /nfs/dbraw/zinc/67/54/52/342675452.db2.gz GNBLUSRSAGXTJN-UHFFFAOYSA-N 0 0 204.225 2.424 50 0 biogenic BEAARN CC[C@@H](C)NC(=O)NCc1ccccc1F ZINC000000137446 342676566 /nfs/dbraw/zinc/67/65/66/342676566.db2.gz ARMXDKJGRRJJKC-SECBINFHSA-N 0 0 224.279 2.423 50 0 BEAARN CSc1ncc(CO)n1Cc1ccccc1 ZINC000000159068 342677978 /nfs/dbraw/zinc/67/79/78/342677978.db2.gz FMJGFHYBHKEGDL-UHFFFAOYSA-N 0 0 234.324 2.146 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000000169795 342678885 /nfs/dbraw/zinc/67/88/85/342678885.db2.gz WZXBASRNQXYUIP-QMMMGPOBSA-N 0 0 233.189 2.180 50 0 BEAARN CCC(CC)NC(=O)NCc1ccncc1 ZINC000012536378 168380381 /nfs/dbraw/zinc/38/03/81/168380381.db2.gz PICOFQCTZGBHRE-UHFFFAOYSA-N 0 0 221.304 2.069 50 0 BEAARN CCCn1nnnc1NCc1ccc(C)cc1 ZINC000000172767 342679127 /nfs/dbraw/zinc/67/91/27/342679127.db2.gz HZKGKEOJIXGSHJ-UHFFFAOYSA-N 0 0 231.303 2.004 50 0 BEAARN Cc1ccc2c(c1)C(O)=C[C@@](O)(C(F)(F)F)O2 ZINC000000185411 342679375 /nfs/dbraw/zinc/67/93/75/342679375.db2.gz ZQFJSMRUMUXVGK-JTQLQIEISA-N 0 0 246.184 2.211 50 0 BEAARN Cn1c2cccc3cccc(c32)n(C)c1=O ZINC000000186913 342679440 /nfs/dbraw/zinc/67/94/40/342679440.db2.gz WZWDLGNDEHWENW-UHFFFAOYSA-N 0 0 212.252 2.030 50 0 BEAARN Cc1ccc2c(c1)c1c(n2C)[C@@H](C(N)=O)CCC1 ZINC000000188814 342679758 /nfs/dbraw/zinc/67/97/58/342679758.db2.gz KOYPMFDJDZCEPA-NSHDSACASA-N 0 0 242.322 2.392 50 0 BEAARN CC(C)(C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000000201092 342679952 /nfs/dbraw/zinc/67/99/52/342679952.db2.gz UNNWFVAPBAIWDQ-UHFFFAOYSA-N 0 0 245.326 2.268 50 0 BEAARN Cc1ccc(CSc2nc(N)n[nH]2)c(C)c1 ZINC000000205701 342679990 /nfs/dbraw/zinc/67/99/90/342679990.db2.gz HDIBNZHESWJWPR-UHFFFAOYSA-N 0 0 234.328 2.296 50 0 BEAARN CCCC(=O)NCCc1nc2ccccc2n1C ZINC000000200953 342680051 /nfs/dbraw/zinc/68/00/51/342680051.db2.gz RWZCJCACUUPACW-UHFFFAOYSA-N 0 0 245.326 2.032 50 0 aggregator BEAARN O=C(c1ccc(F)cc1)c1cccnc1 ZINC000000235763 342680929 /nfs/dbraw/zinc/68/09/29/342680929.db2.gz OISWSEUSVGRNBE-UHFFFAOYSA-N 0 0 201.200 2.452 50 0 BEAARN Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000000235332 342680987 /nfs/dbraw/zinc/68/09/87/342680987.db2.gz GXUICVITVOSIEW-UHFFFAOYSA-N 0 0 248.307 2.070 50 0 BEAARN Cc1cc(C[NH+]2CCCCC2)oc1C(=O)[O-] ZINC000000245334 342681208 /nfs/dbraw/zinc/68/12/08/342681208.db2.gz JTOFFXKPINLCFU-UHFFFAOYSA-N 0 0 223.272 2.272 50 0 BEAARN Cn1cnnc1SCc1ccccc1 ZINC000000273622 342681744 /nfs/dbraw/zinc/68/17/44/342681744.db2.gz RJHHDTWFWCTHLK-UHFFFAOYSA-N 0 0 205.286 2.107 50 0 BEAARN CC(C)(C)S(=O)(=O)c1cccs1 ZINC000000270967 342681905 /nfs/dbraw/zinc/68/19/05/342681905.db2.gz UDIWKIPTKVSYFD-UHFFFAOYSA-N 0 0 204.316 2.320 50 0 BEAARN O=C(NC(=S)N1CCCC1)C1CCCCC1 ZINC000000301947 342682804 /nfs/dbraw/zinc/68/28/04/342682804.db2.gz RAOGBDYPSNRIPC-UHFFFAOYSA-N 0 0 240.372 2.064 50 0 BEAARN Cc1oc(C(=O)[O-])cc1C[NH+]1CCCCC1 ZINC000000310869 342683082 /nfs/dbraw/zinc/68/30/82/342683082.db2.gz JTYSYYIVQNSMAN-UHFFFAOYSA-N 0 0 223.272 2.272 50 0 BEAARN Nc1ccc2nc(-c3ccc(O)cc3)cn2c1 ZINC000000337731 342683826 /nfs/dbraw/zinc/68/38/26/342683826.db2.gz WHZCEYPMDQLDEY-UHFFFAOYSA-N 0 0 225.251 2.289 50 0 BEAARN CSc1nncc(-c2ccccc2)n1 ZINC000000338015 342684132 /nfs/dbraw/zinc/68/41/32/342684132.db2.gz MAPCYWNEYALWSN-UHFFFAOYSA-N 0 0 203.270 2.261 50 0 BEAARN C[C@@]1(CCc2ccccc2)NC(=O)CS1 ZINC000000350902 342684667 /nfs/dbraw/zinc/68/46/67/342684667.db2.gz GMHZZGWYGNQZAL-GFCCVEGCSA-N 0 0 221.325 2.198 50 0 BEAARN CCCC(=O)Nc1ccccc1C(=O)OC ZINC000000367322 342685157 /nfs/dbraw/zinc/68/51/57/342685157.db2.gz MNUMHOYHSWYZPB-UHFFFAOYSA-N 0 0 221.256 2.212 50 0 BEAARN Nc1ccc(I)cc1F ZINC000000409350 342687258 /nfs/dbraw/zinc/68/72/58/342687258.db2.gz CUMTUBVTKOYYOU-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN CC(C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000000456663 342687958 /nfs/dbraw/zinc/68/79/58/342687958.db2.gz GQUMPUJDSWEPNV-UHFFFAOYSA-N 0 0 230.311 2.483 50 0 BEAARN COC[C@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC000000455765 342688022 /nfs/dbraw/zinc/68/80/22/342688022.db2.gz HWHUGTXTOFUKQT-VIFPVBQESA-N 0 0 241.718 2.034 50 0 BEAARN CC(=O)SCCC(=O)Nc1ccccc1 ZINC000000466346 342688110 /nfs/dbraw/zinc/68/81/10/342688110.db2.gz MZOAWUMUUWJQFU-UHFFFAOYSA-N 0 0 223.297 2.295 50 0 BEAARN CC(=O)Cn1c(C)cc(=O)c2cc(F)ccc21 ZINC000040164136 259316015 /nfs/dbraw/zinc/31/60/15/259316015.db2.gz PODHKDKZYROHMW-UHFFFAOYSA-N 0 0 233.242 2.038 50 0 BEAARN O=C(c1ccccc1F)n1cc(Cl)cn1 ZINC000000037158 342670620 /nfs/dbraw/zinc/67/06/20/342670620.db2.gz QPPZVQKLGLYSOA-UHFFFAOYSA-N 0 0 224.622 2.364 50 0 BEAARN CCOc1cc(C=O)ccc1OC(=O)C1CC1 ZINC000000035829 342670650 /nfs/dbraw/zinc/67/06/50/342670650.db2.gz CYABNFVKGZBCEW-UHFFFAOYSA-N 0 0 234.251 2.213 50 0 biogenic BEAARN CCCc1cc(=O)oc2cc(O)cc(O)c12 ZINC000000040645 342671097 /nfs/dbraw/zinc/67/10/97/342671097.db2.gz HDPADVKOPBBPJW-UHFFFAOYSA-N 0 0 220.224 2.157 50 0 biogenic BEAARN O=C1C=CC(=O)N1c1ccc2ccccc2c1 ZINC000000050805 342671356 /nfs/dbraw/zinc/67/13/56/342671356.db2.gz ISPTVBCAVIHHEF-UHFFFAOYSA-N 0 0 223.231 2.269 50 0 BEAARN COC(=O)CCC(=O)c1oc2ccccc2c1N ZINC000000054924 342671716 /nfs/dbraw/zinc/67/17/16/342671716.db2.gz HHBFPHIJQNHQBQ-UHFFFAOYSA-N 0 0 247.250 2.151 50 0 biogenic BEAARN CC(=O)Nc1sc(N)nc1-c1ccccc1 ZINC000000484602 342688913 /nfs/dbraw/zinc/68/89/13/342688913.db2.gz VRJGYNDGJHUPMA-UHFFFAOYSA-N 0 0 233.296 2.351 50 0 BEAARN CCN(C(=O)[C@H]1CCCO1)C1CCCCC1 ZINC000000617915 342691110 /nfs/dbraw/zinc/69/11/10/342691110.db2.gz MYMIAJDRJUSXKV-GFCCVEGCSA-N 0 0 225.332 2.347 50 0 BEAARN Nc1nc2c(s1)COc1ccccc1-2 ZINC000000846623 342693531 /nfs/dbraw/zinc/69/35/31/342693531.db2.gz NVHFPWSBQGIUJA-UHFFFAOYSA-N 0 0 204.254 2.285 50 0 BEAARN CN(C)S(=O)(=O)c1cccc2ccccc21 ZINC000001020880 342695758 /nfs/dbraw/zinc/69/57/58/342695758.db2.gz IWWVDZBWTQKFCA-UHFFFAOYSA-N 0 0 235.308 2.090 50 0 BEAARN Cc1cnn(C(=O)c2cc(C)oc2C)c1 ZINC000001055474 342696592 /nfs/dbraw/zinc/69/65/92/342696592.db2.gz NVTVMFUMHBLIIK-UHFFFAOYSA-N 0 0 204.229 2.090 50 0 BEAARN Cc1noc(N)c1C(=O)Nc1ccc(C)cc1 ZINC000001075973 342696926 /nfs/dbraw/zinc/69/69/26/342696926.db2.gz JRAVNWOJZJFAQR-UHFFFAOYSA-N 0 0 231.255 2.126 50 0 BEAARN CC(=O)Oc1ccccc1C(=O)NC(C)(C)C ZINC000001097925 342697472 /nfs/dbraw/zinc/69/74/72/342697472.db2.gz ZPMMTXKXKHIKLH-UHFFFAOYSA-N 0 0 235.283 2.140 50 0 BEAARN COC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000001401900 342699956 /nfs/dbraw/zinc/69/99/56/342699956.db2.gz DXIMZWAUSHENSG-JTQLQIEISA-N 0 0 239.658 2.006 50 0 BEAARN Nc1nccc(-c2ccc(Cl)cc2)n1 ZINC000001407761 342699958 /nfs/dbraw/zinc/69/99/58/342699958.db2.gz UQCSUXUZDAATNJ-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 in-vitro BEAARN Nc1ncc2c(n1)C[C@H](c1cccs1)CC2=O ZINC000001412436 342700320 /nfs/dbraw/zinc/70/03/20/342700320.db2.gz SSBIOMBKWGPZQK-ZETCQYMHSA-N 0 0 245.307 2.033 50 0 BEAARN O=C(c1nccs1)c1cccnc1Cl ZINC000002392658 342720018 /nfs/dbraw/zinc/72/00/18/342720018.db2.gz LQGOPOUPHASIJY-UHFFFAOYSA-N 0 0 224.672 2.423 50 0 BEAARN CC(C)(C)NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000001480365 342701911 /nfs/dbraw/zinc/70/19/11/342701911.db2.gz VKJNKBBKCACFJY-FNORWQNLSA-N 0 0 247.294 2.343 50 0 BEAARN CCOc1ccc2nc(C=O)ccc2c1 ZINC000001526659 342702525 /nfs/dbraw/zinc/70/25/25/342702525.db2.gz WRZJIHGBMXGHAJ-UHFFFAOYSA-N 0 0 201.225 2.446 50 0 BEAARN CN(C)c1ncccc1NC(=O)c1ccccc1 ZINC000047976169 342704309 /nfs/dbraw/zinc/70/43/09/342704309.db2.gz LPFHQKUBLQFPTN-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN O=C(O[C@@H]1CCCCC1=O)c1ccccc1 ZINC000001594464 342704865 /nfs/dbraw/zinc/70/48/65/342704865.db2.gz LEVSNIXDZWEGEC-GFCCVEGCSA-N 0 0 218.252 2.355 50 0 BEAARN O=c1[nH]c2cc(Cl)c(Cl)cc2o1 ZINC000001615406 342705929 /nfs/dbraw/zinc/70/59/29/342705929.db2.gz WLWRBOFZMOBYJR-UHFFFAOYSA-N 0 0 204.012 2.428 50 0 BEAARN CC(=O)CC(=O)Nc1cccc(C)c1C ZINC000001649129 342707170 /nfs/dbraw/zinc/70/71/70/342707170.db2.gz JLBRPUWVDHSZKB-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN CCN(CC)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000001670133 342707848 /nfs/dbraw/zinc/70/78/48/342707848.db2.gz DEQSVZNNNQWMJW-SOFGYWHQSA-N 0 0 247.294 2.297 50 0 BEAARN CN1C(=S)N=NC1c1ccccc1Cl ZINC000002388319 342719796 /nfs/dbraw/zinc/71/97/96/342719796.db2.gz DNWADAKXAKNOFG-UHFFFAOYSA-N 0 0 225.704 2.424 50 0 BEAARN Cc1ccc2ncc(Br)n2c1 ZINC000004024439 342740994 /nfs/dbraw/zinc/74/09/94/342740994.db2.gz MMZMYJJVBJHMLU-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN COc1cc(C=O)ccc1Oc1cnccn1 ZINC000004110268 342742626 /nfs/dbraw/zinc/74/26/26/342742626.db2.gz DCJABDQGKJKBRD-UHFFFAOYSA-N 0 0 230.223 2.090 50 0 BEAARN Cc1ccc(N[C@@H]2C=CS(=O)(=O)C2)c(C)c1 ZINC000004371894 342747489 /nfs/dbraw/zinc/74/74/89/342747489.db2.gz PDOMDJYETAURTL-LLVKDONJSA-N 0 0 237.324 2.026 50 0 BEAARN CCOc1ccc(-c2nn3cnnc3s2)cc1 ZINC000004487472 342748361 /nfs/dbraw/zinc/74/83/61/342748361.db2.gz WXTMKGOJAZFRHE-UHFFFAOYSA-N 0 0 246.295 2.252 50 0 BEAARN CCCC(=O)c1cc2c(cc1N)OCCO2 ZINC000004535278 342748950 /nfs/dbraw/zinc/74/89/50/342748950.db2.gz SSWOJWLEQYQHCP-UHFFFAOYSA-N 0 0 221.256 2.023 50 0 BEAARN CC(C)(C)[C@]1(O)COc2ccccc2O1 ZINC000004566057 342749073 /nfs/dbraw/zinc/74/90/73/342749073.db2.gz VPANZLLRKNSFHJ-LBPRGKRZSA-N 0 0 208.257 2.193 50 0 BEAARN Nc1ccc(Br)nc1Cl ZINC000002456095 342720929 /nfs/dbraw/zinc/72/09/29/342720929.db2.gz YCECOMBEVDPUJG-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CCOc1ccc(NCc2cnn(C)c2)cc1 ZINC000002536120 342723120 /nfs/dbraw/zinc/72/31/20/342723120.db2.gz PZFPYVIECDZSAI-UHFFFAOYSA-N 0 0 231.299 2.431 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000002541587 342723569 /nfs/dbraw/zinc/72/35/69/342723569.db2.gz ROUONLKDWVQKNB-NEPJUHHUSA-N 0 0 249.310 2.169 50 0 BEAARN NNc1ccnc2cc(Br)ccc21 ZINC000002564390 342724559 /nfs/dbraw/zinc/72/45/59/342724559.db2.gz DNBHRILSWSXLJP-UHFFFAOYSA-N 0 0 238.088 2.283 50 0 BEAARN Clc1ncccc1I ZINC000002566951 342724581 /nfs/dbraw/zinc/72/45/81/342724581.db2.gz OHWSWGXNZDSHLM-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 in-vitro BEAARN CCCCCC(=O)CCC(=O)OCC ZINC000002566551 342724595 /nfs/dbraw/zinc/72/45/95/342724595.db2.gz RHHOUINGCOVIBN-UHFFFAOYSA-N 0 0 200.278 2.479 50 0 BEAARN COc1ccc2c(Br)c[nH]c2n1 ZINC000044712839 342724879 /nfs/dbraw/zinc/72/48/79/342724879.db2.gz ISENGFMRAAURKN-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN Clc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000002572621 342725066 /nfs/dbraw/zinc/72/50/66/342725066.db2.gz DPHDYJRNGBXYQG-UHFFFAOYSA-N 0 0 215.043 2.174 50 0 BEAARN NNc1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000003128610 342730782 /nfs/dbraw/zinc/73/07/82/342730782.db2.gz PKHIMVUFGUKWHZ-UHFFFAOYSA-N 0 0 245.126 2.405 50 0 BEAARN CCCCC(=O)c1ccc(C(=O)NOC)cc1 ZINC000003132258 342730934 /nfs/dbraw/zinc/73/09/34/342730934.db2.gz UURZWBUNVBQXIN-UHFFFAOYSA-N 0 0 235.283 2.351 50 0 BEAARN CC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000003160641 342731005 /nfs/dbraw/zinc/73/10/05/342731005.db2.gz QNVJXVJRFYDYIQ-UHFFFAOYSA-N 0 0 221.256 2.210 50 0 BEAARN Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000003723267 342737137 /nfs/dbraw/zinc/73/71/37/342737137.db2.gz RCBHJDMPHQLQTR-UHFFFAOYSA-N 0 0 229.070 2.361 50 0 BEAARN O=C([O-])[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000003750162 342737363 /nfs/dbraw/zinc/73/73/63/342737363.db2.gz NNJNATRFOTXJSW-VIFPVBQESA-N 0 0 225.313 2.045 50 0 BEAARN Cc1cc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000003884173 342738865 /nfs/dbraw/zinc/73/88/65/342738865.db2.gz MSXIVFVHUICSJC-UHFFFAOYSA-N 0 0 202.213 2.114 50 0 BEAARN Cc1ccc(NC(=O)N2CCN(C)CC2)cc1C ZINC000004828597 342752586 /nfs/dbraw/zinc/75/25/86/342752586.db2.gz VTFMCTHZKGUZFK-UHFFFAOYSA-N 0 0 247.342 2.083 50 0 BEAARN Cc1cccc(-c2nn3cnnc3s2)c1 ZINC000004855400 342753229 /nfs/dbraw/zinc/75/32/29/342753229.db2.gz BUEGXQULIJMSFU-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1c(C[NH+](C)C)c2ccccc2n1CC(=O)[O-] ZINC000004943303 342754740 /nfs/dbraw/zinc/75/47/40/342754740.db2.gz LBZYKTQWDSGTNB-UHFFFAOYSA-N 0 0 246.310 2.096 50 0 BEAARN [NH3+][C@H](CCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004958051 342754987 /nfs/dbraw/zinc/75/49/87/342754987.db2.gz DDXURTFOYAJBFN-KIPDHUPVSA-N 0 0 237.343 2.395 50 0 BEAARN O=C1CCC(C23CC4CC(CC(C4)C2)C3)=NN1 ZINC000004948677 342755018 /nfs/dbraw/zinc/75/50/18/342755018.db2.gz DAOBMISYUMFMHT-UHFFFAOYSA-N 0 0 232.327 2.469 50 0 BEAARN C[C@@H](Cc1nnc(N)s1)c1ccccc1 ZINC000004954625 342755056 /nfs/dbraw/zinc/75/50/56/342755056.db2.gz TZDRLIUGQBKIFY-QMMMGPOBSA-N 0 0 219.313 2.467 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000005047006 342757203 /nfs/dbraw/zinc/75/72/03/342757203.db2.gz NNMVFPRWBJDAQU-UHFFFAOYSA-N 0 0 221.256 2.196 50 0 BEAARN ON(Cn1nnc2ccccc21)c1ccccc1 ZINC000005519136 342765089 /nfs/dbraw/zinc/76/50/89/342765089.db2.gz KSBNDALGQXBSKB-UHFFFAOYSA-N 0 0 240.266 2.285 50 0 BEAARN COc1ccc(Cc2n[nH]c(=S)n2C)cc1 ZINC000005521258 342765571 /nfs/dbraw/zinc/76/55/71/342765571.db2.gz VPQOSXJAFUFENW-UHFFFAOYSA-N 0 0 235.312 2.077 50 0 BEAARN O=c1cc(-c2cccc(C(F)(F)F)c2)nc[nH]1 ZINC000005728866 342769053 /nfs/dbraw/zinc/76/90/53/342769053.db2.gz DSQYXXADLOFINY-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN Cc1ccc(N2C(=O)C=CC2=O)c(Cl)c1 ZINC000006189831 342774828 /nfs/dbraw/zinc/77/48/28/342774828.db2.gz NLZKICUMYMYKER-UHFFFAOYSA-N 0 0 221.643 2.078 50 0 BEAARN O=C1COc2c1cccc2Br ZINC000006243298 342775487 /nfs/dbraw/zinc/77/54/87/342775487.db2.gz MGCVLLXCJNKGCS-UHFFFAOYSA-N 0 0 213.030 2.024 50 0 BEAARN CC(C)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000008666593 342801635 /nfs/dbraw/zinc/80/16/35/342801635.db2.gz CXQBGRCKZAIJLA-UHFFFAOYSA-N 0 0 245.278 2.341 50 0 biogenic BEAARN Nc1cnc(Cl)c(Br)c1 ZINC000008698113 342802209 /nfs/dbraw/zinc/80/22/09/342802209.db2.gz ISKBXMMELYRESC-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN O=C([O-])[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000008699067 342802326 /nfs/dbraw/zinc/80/23/26/342802326.db2.gz XRYRJXQJSTWFDB-LLVKDONJSA-N 0 0 211.305 2.116 50 0 BEAARN Cc1c(C)n(-c2cccnc2)c2ncnc(N)c12 ZINC000006671878 342780844 /nfs/dbraw/zinc/78/08/44/342780844.db2.gz UIECMTFRSREQBW-UHFFFAOYSA-N 0 0 239.282 2.015 50 0 BEAARN CCc1[nH]nc(N)c1-c1ccc(OC)cc1 ZINC000008701441 342802860 /nfs/dbraw/zinc/80/28/60/342802860.db2.gz WODOANAQOYZKNM-UHFFFAOYSA-N 0 0 217.272 2.230 50 0 BEAARN C[C@H](Nc1cnn(C)c1)c1cccc(CO)c1 ZINC000097378990 342793723 /nfs/dbraw/zinc/79/37/23/342793723.db2.gz LMRKSPGHLSSHDB-JTQLQIEISA-N 0 0 231.299 2.086 50 0 BEAARN Cc1cnc(NC(=O)N2CCCC2)s1 ZINC000043386060 342793766 /nfs/dbraw/zinc/79/37/66/342793766.db2.gz UZGKFUMRNMBOJH-UHFFFAOYSA-N 0 0 211.290 2.079 50 0 BEAARN CONC(=O)Nc1ccc(F)c(-n2cccc2)c1 ZINC000071920271 342796628 /nfs/dbraw/zinc/79/66/28/342796628.db2.gz QQSIPFDBEYEJME-UHFFFAOYSA-N 0 0 249.245 2.299 50 0 BEAARN CCc1ccc(C(=O)N2CCO[C@@H](C)C2)s1 ZINC000040477918 538971797 /nfs/dbraw/zinc/97/17/97/538971797.db2.gz WJLMEEZUUOPPRC-VIFPVBQESA-N 0 0 239.340 2.171 50 0 BEAARN CCOc1ccc2[nH]c(C(=O)OC)c(C=O)c2c1 ZINC000008325029 342797848 /nfs/dbraw/zinc/79/78/48/342797848.db2.gz CHYUNWGEUQNNKL-UHFFFAOYSA-N 0 0 247.250 2.166 50 0 BEAARN O=c1[nH]cncc1-c1ccc(Cl)cc1 ZINC000008466910 342799279 /nfs/dbraw/zinc/79/92/79/342799279.db2.gz MRYBHXBVGYPVCA-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN O=C1CCCC[C@@H]1n1nc(Cl)nc1Cl ZINC000009142783 342808822 /nfs/dbraw/zinc/80/88/22/342808822.db2.gz KCNRLSHZFZVZNQ-YFKPBYRVSA-N 0 0 234.086 2.269 50 0 BEAARN Cc1c(C)n(CC(C)C)c2ncn3ncnc3c12 ZINC000009183842 342809297 /nfs/dbraw/zinc/80/92/97/342809297.db2.gz GEZUVNXPMILPGE-UHFFFAOYSA-N 0 0 243.314 2.352 50 0 BEAARN O=C1C2=C(CCCC2)[C@H](O)N1Cc1cccs1 ZINC000009095211 342807849 /nfs/dbraw/zinc/80/78/49/342807849.db2.gz XEDOVJBPGBJLOL-LBPRGKRZSA-N 0 0 249.335 2.279 50 0 BEAARN O=c1[nH]c2ccccc2c(=O)n1C1CCCCC1 ZINC000009108612 342808100 /nfs/dbraw/zinc/80/81/00/342808100.db2.gz GCLQRXZTSYKTLA-UHFFFAOYSA-N 0 0 244.294 2.195 50 0 BEAARN CNC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000335479952 398291138 /nfs/dbraw/zinc/29/11/38/398291138.db2.gz AAWIJVYZXUCDQA-NKWVEPMBSA-N 0 0 224.226 2.037 50 0 BEAARN Cc1noc(C)c1CN(C)C(=O)C(C)(C)C ZINC000047643670 539004763 /nfs/dbraw/zinc/00/47/63/539004763.db2.gz WCCCXZYFLBWXDE-UHFFFAOYSA-N 0 0 224.304 2.296 50 0 BEAARN CN(C)c1nc(Cl)nc2ccccc21 ZINC000011756867 342843309 /nfs/dbraw/zinc/84/33/09/342843309.db2.gz DTTPDWSQHPZGEY-UHFFFAOYSA-N 0 0 207.664 2.349 50 0 BEAARN O=S(=O)(NC1CC1)c1ccc(C(F)F)cc1 ZINC000071415916 361995837 /nfs/dbraw/zinc/99/58/37/361995837.db2.gz NGNSVCINQUNEDR-UHFFFAOYSA-N 0 0 247.266 2.065 50 0 BEAARN C/C=C/c1cc2c(c(OC)c1OC)OCO2 ZINC000012362794 342850162 /nfs/dbraw/zinc/85/01/62/342850162.db2.gz OEDZKYGAFWDLGE-SNAWJCMRSA-N 0 0 222.240 2.466 50 0 endogenous,in-man BEAARN O=C1C=C/C(=C/c2ccc(Br)o2)O1 ZINC000012374935 342850369 /nfs/dbraw/zinc/85/03/69/342850369.db2.gz IGWWLCGLLOYUHC-ALCCZGGFSA-N 0 0 241.040 2.496 50 0 BEAARN C[C@H](NC(=O)CC(C)(C)C)[C@H]1CCCO1 ZINC000012383258 342850675 /nfs/dbraw/zinc/85/06/75/342850675.db2.gz PLKYZQJNQTUESR-VHSXEESVSA-N 0 0 213.321 2.106 50 0 BEAARN Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000012395415 342850941 /nfs/dbraw/zinc/85/09/41/342850941.db2.gz ZYFCTKCQWPSPHL-UHFFFAOYSA-N 0 0 209.142 2.349 50 0 BEAARN Nc1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000012395407 342851020 /nfs/dbraw/zinc/85/10/20/342851020.db2.gz NQXHOZBTINTZHY-UHFFFAOYSA-N 0 0 211.627 2.247 50 0 BEAARN Cc1c2c(nn1C1CCCC1)[nH]c(=O)cc2C ZINC000012397842 342851302 /nfs/dbraw/zinc/85/13/02/342851302.db2.gz HYMHINRGJKITJF-UHFFFAOYSA-N 0 0 231.299 2.457 50 0 BEAARN CCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000012408923 342851704 /nfs/dbraw/zinc/85/17/04/342851704.db2.gz GIRVZKMQGSXZKT-YFHOEESVSA-N 0 0 249.291 2.409 50 0 BEAARN Cc1ccc(CNC(=O)n2ccnc2)cc1F ZINC000012481346 342852626 /nfs/dbraw/zinc/85/26/26/342852626.db2.gz PXNUYZKLYMTYSC-UHFFFAOYSA-N 0 0 233.246 2.089 50 0 BEAARN CCCCC(=O)NCc1cnc(C)s1 ZINC000032611494 342855429 /nfs/dbraw/zinc/85/54/29/342855429.db2.gz LCQNDCSTXOQRLK-UHFFFAOYSA-N 0 0 212.318 2.258 50 0 BEAARN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1cccc2ccccc21 ZINC000012954674 342861871 /nfs/dbraw/zinc/86/18/71/342861871.db2.gz NLVXTQPLGJBYLL-KGLIPLIRSA-N 0 0 241.290 2.227 50 0 BEAARN CC[C@@H](C)NC(=O)COc1ccc(F)cc1 ZINC000012977005 342862291 /nfs/dbraw/zinc/86/22/91/342862291.db2.gz QPFNELFGWJSJGL-SECBINFHSA-N 0 0 225.263 2.119 50 0 BEAARN O=C(/C=C/c1cccnc1)Nc1cccnc1 ZINC000037151202 398303494 /nfs/dbraw/zinc/30/34/94/398303494.db2.gz KLJNCMNSTPKNLE-AATRIKPKSA-N 0 0 225.251 2.129 50 0 BEAARN Cc1cc(C(=O)NCCc2ccc(F)cc2)no1 ZINC000013327707 342865648 /nfs/dbraw/zinc/86/56/48/342865648.db2.gz VTBJXXWVDUGZGQ-UHFFFAOYSA-N 0 0 248.257 2.095 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccsc1 ZINC000032741261 342871659 /nfs/dbraw/zinc/87/16/59/342871659.db2.gz QIEVYYLQLIJXFZ-PSASIEDQSA-N 0 0 209.314 2.363 50 0 BEAARN O=c1[nH]c2ccccc2n1-c1ccccc1 ZINC000013782608 342871952 /nfs/dbraw/zinc/87/19/52/342871952.db2.gz OLMPQQPQSTVRPB-UHFFFAOYSA-N 0 0 210.236 2.319 50 0 BEAARN CON(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000032779847 342874958 /nfs/dbraw/zinc/87/49/58/342874958.db2.gz SWJISAMRFZCUMW-UHFFFAOYSA-N 0 0 218.256 2.110 50 0 BEAARN O=C(/C=C\c1ccco1)Nc1ccc(F)cn1 ZINC000096292591 398317008 /nfs/dbraw/zinc/31/70/08/398317008.db2.gz YUUIAMZVLZIOIN-XQRVVYSFSA-N 0 0 232.214 2.466 50 0 BEAARN COc1cc(N)c(Br)cc1F ZINC000015443745 342896374 /nfs/dbraw/zinc/89/63/74/342896374.db2.gz JRWKTSZPTRTXFS-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN CC(C)(C)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000015446032 342896686 /nfs/dbraw/zinc/89/66/86/342896686.db2.gz IAZVVJBYFVNPJJ-UHFFFAOYSA-N 0 0 229.283 2.129 50 0 BEAARN Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000014629341 342882898 /nfs/dbraw/zinc/88/28/98/342882898.db2.gz MTGVVZQHFZESMO-VIFPVBQESA-N 0 0 227.691 2.480 50 0 BEAARN Nc1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000014630639 342883022 /nfs/dbraw/zinc/88/30/22/342883022.db2.gz RNQWPNNARUETMX-JTQLQIEISA-N 0 0 225.263 2.356 50 0 BEAARN CCCc1cc(OC)c2c(c1OC)OCO2 ZINC000014987582 342890473 /nfs/dbraw/zinc/89/04/73/342890473.db2.gz XZUGLUDURMEBQE-UHFFFAOYSA-N 0 0 224.256 2.385 50 0 BEAARN COC(=O)c1ncoc1-c1ccc(F)cc1 ZINC000016159752 342907211 /nfs/dbraw/zinc/90/72/11/342907211.db2.gz YQPWNMIICDXUAM-UHFFFAOYSA-N 0 0 221.187 2.267 50 0 BEAARN CO[C@@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 ZINC000015974659 342903876 /nfs/dbraw/zinc/90/38/76/342903876.db2.gz BDTMQUOWMAHRJI-CQSZACIVSA-N 0 0 231.295 2.338 50 0 BEAARN Cc1noc(C)c1C(=O)NCCc1ccccc1 ZINC000004106767 398328248 /nfs/dbraw/zinc/32/82/48/398328248.db2.gz NJWYDVJFMDXSBP-UHFFFAOYSA-N 0 0 244.294 2.264 50 0 BEAARN CCCc1cc(=O)[nH]c(Nc2ccccc2)n1 ZINC000017879288 342929467 /nfs/dbraw/zinc/92/94/67/342929467.db2.gz GXZBXLDMOKEOKM-UHFFFAOYSA-N 0 0 229.283 2.466 50 0 BEAARN CCOc1ccc2[nH]c([C@H](C)O)nc2c1 ZINC000018179850 342933717 /nfs/dbraw/zinc/93/37/17/342933717.db2.gz BFCLPHLZPWCYPK-ZETCQYMHSA-N 0 0 206.245 2.015 50 0 BEAARN CC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000011937801 346883946 /nfs/dbraw/zinc/88/39/46/346883946.db2.gz RAYFZSFXUBRORH-ZDUSSCGKSA-N 0 0 218.300 2.109 50 0 BEAARN CCC1CCC(C(=O)N2CCOCC2)CC1 ZINC000008662598 398329166 /nfs/dbraw/zinc/32/91/66/398329166.db2.gz GJNLNOXWSICPTM-UHFFFAOYSA-N 0 0 225.332 2.062 50 0 BEAARN O=C([O-])C[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000042163736 398330724 /nfs/dbraw/zinc/33/07/24/398330724.db2.gz RYMUKLALCSWZSB-LLVKDONJSA-N 0 0 237.274 2.265 50 0 BEAARN CN(C)c1nc(Cl)cc(C(F)(F)F)n1 ZINC000019090419 342941297 /nfs/dbraw/zinc/94/12/97/342941297.db2.gz HAIVSXVKEFAZPJ-UHFFFAOYSA-N 0 0 225.601 2.215 50 0 BEAARN N#CNc1nc(Cl)nc(Nc2ccccc2)n1 ZINC000000270855 398332734 /nfs/dbraw/zinc/33/27/34/398332734.db2.gz IJGIIYCSHNQMCA-UHFFFAOYSA-N 0 0 246.661 2.162 50 0 BEAARN Cc1cnn(Cc2cccc(Cl)c2)c1N ZINC000019091183 342941347 /nfs/dbraw/zinc/94/13/47/342941347.db2.gz UWNPINHVNXBRAD-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN CC(C)C[C@H](C)Oc1cc(C[NH3+])ccn1 ZINC000019401048 342947198 /nfs/dbraw/zinc/94/71/98/342947198.db2.gz VOJHKEXYZCVKSW-JTQLQIEISA-N 0 0 208.305 2.354 50 0 BEAARN Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000019387535 342947280 /nfs/dbraw/zinc/94/72/80/342947280.db2.gz TZTIROGMPOMLMV-UHFFFAOYSA-N 0 0 234.686 2.132 50 0 BEAARN NNCc1ccc(OCc2ccccc2)cc1 ZINC000019386329 342947284 /nfs/dbraw/zinc/94/72/84/342947284.db2.gz HWQQPPNUPGCDRL-UHFFFAOYSA-N 0 0 228.295 2.229 50 0 BEAARN COC(=O)c1occc1COc1ccc(C)cn1 ZINC000075077139 398343530 /nfs/dbraw/zinc/34/35/30/398343530.db2.gz SITBAXZTBHFZRS-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN CC(=O)c1cc2ccc(F)cc2oc1=O ZINC000146231810 398344523 /nfs/dbraw/zinc/34/45/23/398344523.db2.gz FWNPARQZOFDGOO-UHFFFAOYSA-N 0 0 206.172 2.135 50 0 BEAARN Cc1ccc(CS[C@H]2NC[C@@H](C)N2)cc1C ZINC000019324352 342945493 /nfs/dbraw/zinc/94/54/93/342945493.db2.gz KNDMIDHJXJKVOC-YPMHNXCESA-N 0 0 236.384 2.402 50 0 BEAARN Fc1ccc(CNCC(F)(F)F)cc1 ZINC000019480514 342949433 /nfs/dbraw/zinc/94/94/33/342949433.db2.gz LTRAZTBXRODPMK-UHFFFAOYSA-N 0 0 207.170 2.478 50 0 BEAARN O=C([O-])c1ccc2c(C[NH+]3CCCC3)c[nH]c2c1 ZINC000019702826 342954106 /nfs/dbraw/zinc/95/41/06/342954106.db2.gz IAFZXXDJEKTIQJ-UHFFFAOYSA-N 0 0 244.294 2.462 50 0 BEAARN CC(C)c1ccc(O[C@H](C)C(N)=O)cc1 ZINC000012383008 346897987 /nfs/dbraw/zinc/89/79/87/346897987.db2.gz NERBYRQVKRXBIZ-SECBINFHSA-N 0 0 207.273 2.063 50 0 BEAARN CCC(CC)c1nnc(NC(=O)COC)s1 ZINC000000804709 168413097 /nfs/dbraw/zinc/41/30/97/168413097.db2.gz WXUXOJZIHHAWME-UHFFFAOYSA-N 0 0 243.332 2.027 50 0 BEAARN CCc1ccc(-c2noc([C@H](C)N)n2)cc1 ZINC000019785451 342957474 /nfs/dbraw/zinc/95/74/74/342957474.db2.gz CDRBKBSMQVZNPZ-QMMMGPOBSA-N 0 0 217.272 2.319 50 0 BEAARN CCCc1cc(=O)c2cc(OC)ccc2[nH]1 ZINC000019721662 342954644 /nfs/dbraw/zinc/95/46/44/342954644.db2.gz SILBPTYHCIOZFB-UHFFFAOYSA-N 0 0 217.268 2.489 50 0 BEAARN Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000019732212 342954993 /nfs/dbraw/zinc/95/49/93/342954993.db2.gz GZDIUHKAZLMQFJ-UHFFFAOYSA-N 0 0 238.088 2.217 50 0 BEAARN COc1cc(NC(=O)C2CC2)cc(OC)c1 ZINC000005681895 346901360 /nfs/dbraw/zinc/90/13/60/346901360.db2.gz KTABKWANHIFSJJ-UHFFFAOYSA-N 0 0 221.256 2.052 50 0 BEAARN Nc1cc(NC(=O)C2CCC2)ccc1F ZINC000020157444 342972917 /nfs/dbraw/zinc/97/29/17/342972917.db2.gz QDGXRNOPFBCGFB-UHFFFAOYSA-N 0 0 208.236 2.147 50 0 BEAARN COC(=O)c1ccc(N2CCCCC2)cc1 ZINC000008729891 536732867 /nfs/dbraw/zinc/73/28/67/536732867.db2.gz DGHBETAWIXVCFO-UHFFFAOYSA-N 0 0 219.284 2.464 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1N ZINC000020220726 342977826 /nfs/dbraw/zinc/97/78/26/342977826.db2.gz PQDRWJUBXAQJQO-JTQLQIEISA-N 0 0 232.327 2.449 50 0 BEAARN O=C1CS[C@H](c2cccs2)N1C1CC1 ZINC000019926927 342963498 /nfs/dbraw/zinc/96/34/98/342963498.db2.gz SEOZNFPPFPCUFS-SNVBAGLBSA-N 0 0 225.338 2.485 50 0 BEAARN Cc1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000019946376 342963906 /nfs/dbraw/zinc/96/39/06/342963906.db2.gz IZULRPMDKNPVCZ-UHFFFAOYSA-N 0 0 233.340 2.014 50 0 BEAARN Nc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000020004334 342966286 /nfs/dbraw/zinc/96/62/86/342966286.db2.gz RAHMQIJNGZTKBH-UHFFFAOYSA-N 0 0 238.250 2.381 50 0 BEAARN CC(C)CNC(=O)[C@@H](C)Nc1ccc(F)cc1 ZINC000020312857 342981665 /nfs/dbraw/zinc/98/16/65/342981665.db2.gz ZYWAEVFTLQMIAG-SNVBAGLBSA-N 0 0 238.306 2.398 50 0 BEAARN CN(c1ncccc1N)C1CCCCC1 ZINC000020317327 342981998 /nfs/dbraw/zinc/98/19/98/342981998.db2.gz IIKQGZSXPXKCQU-UHFFFAOYSA-N 0 0 205.305 2.433 50 0 BEAARN Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCO2)c1 ZINC000020343069 342982324 /nfs/dbraw/zinc/98/23/24/342982324.db2.gz MMCBXFYAODEJAH-JTQLQIEISA-N 0 0 240.690 2.040 50 0 BEAARN Cc1cc(CN(C)C[C@H](O)c2ccccc2)no1 ZINC000020516114 342989130 /nfs/dbraw/zinc/98/91/30/342989130.db2.gz OBLIPPRYIJMTGW-AWEZNQCLSA-N 0 0 246.310 2.148 50 0 BEAARN Clc1ccc(Cc2nn[nH]n2)cc1Cl ZINC000020521731 342989381 /nfs/dbraw/zinc/98/93/81/342989381.db2.gz MVQKYNNNQDIQBR-UHFFFAOYSA-N 0 0 229.070 2.097 50 0 BEAARN CC(C)(C)C(=O)NCc1ccccc1F ZINC000021269855 343008976 /nfs/dbraw/zinc/00/89/76/343008976.db2.gz AOSGHSFJOIGDEP-UHFFFAOYSA-N 0 0 209.264 2.488 50 0 BEAARN Cc1c(F)cccc1NCc1nccn1C ZINC000043321094 343050650 /nfs/dbraw/zinc/05/06/50/343050650.db2.gz HFFNGSMDHWVGLS-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN Cc1ccc(N)cc1OCCCCCO ZINC000051019550 343074046 /nfs/dbraw/zinc/07/40/46/343074046.db2.gz IVTMPJWXBSTASL-UHFFFAOYSA-N 0 0 209.289 2.119 50 0 BEAARN Cc1c([C@H](C)NC(=O)c2ccsc2)cnn1C ZINC000025000095 343083226 /nfs/dbraw/zinc/08/32/26/343083226.db2.gz KZNKYAGDIMKHAC-QMMMGPOBSA-N 0 0 249.339 2.281 50 0 BEAARN O=c1ccc(-c2cccc(Cl)c2)n[nH]1 ZINC000026420367 343104915 /nfs/dbraw/zinc/10/49/15/343104915.db2.gz YRWWFLYKKZTALE-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN CCCCN(C)C(=O)c1n[nH]c2ccccc21 ZINC000025612370 343093321 /nfs/dbraw/zinc/09/33/21/343093321.db2.gz LYTFKZPZHZOTNM-UHFFFAOYSA-N 0 0 231.299 2.435 50 0 BEAARN C[C@H](NC(=O)NC1CCCC1)c1ccncc1 ZINC000013328244 362101960 /nfs/dbraw/zinc/10/19/60/362101960.db2.gz JKJWNFVNCFWWJQ-JTQLQIEISA-N 0 0 233.315 2.384 50 0 BEAARN CCCCS(=O)(=O)Nc1ccccc1 ZINC000013322999 362102564 /nfs/dbraw/zinc/10/25/64/362102564.db2.gz OAWJISLDPLWHLQ-UHFFFAOYSA-N 0 0 213.302 2.228 50 0 BEAARN COCc1cccc(C(=O)NCc2ccco2)c1 ZINC000028648544 343130606 /nfs/dbraw/zinc/13/06/06/343130606.db2.gz WOKFBSBJVRYTQA-UHFFFAOYSA-N 0 0 245.278 2.356 50 0 BEAARN CCOc1ccc(OCC)c(NC(C)=O)c1 ZINC000000281246 343138739 /nfs/dbraw/zinc/13/87/39/343138739.db2.gz CRMFZYOCZOJLGD-UHFFFAOYSA-N 0 0 223.272 2.442 50 0 BEAARN O=S1(=O)C=C(Sc2ccccc2)CC1 ZINC000003076628 343139488 /nfs/dbraw/zinc/13/94/88/343139488.db2.gz GMNDCBBVDJPVLL-UHFFFAOYSA-N 0 0 226.322 2.439 50 0 BEAARN CCOc1ccc(-c2cc(N)no2)cc1 ZINC000016623623 343141077 /nfs/dbraw/zinc/14/10/77/343141077.db2.gz MIJDABQRKNNWJP-UHFFFAOYSA-N 0 0 204.229 2.323 50 0 BEAARN Fc1ccc(-c2noc(Cn3ccnc3)n2)cc1 ZINC000029594278 343144878 /nfs/dbraw/zinc/14/48/78/343144878.db2.gz JWZOGURDODQJDB-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN C[C@H]1CSCCN1C(=O)Nc1ccncc1 ZINC000072291892 343157518 /nfs/dbraw/zinc/15/75/18/343157518.db2.gz SEIQEGMNJAUCTM-VIFPVBQESA-N 0 0 237.328 2.051 50 0 BEAARN CCc1nc(-c2ccc(O)c(C(N)=O)c2)cs1 ZINC000030448293 343173598 /nfs/dbraw/zinc/17/35/98/343173598.db2.gz CCZJRAGILKYPQL-UHFFFAOYSA-N 0 0 248.307 2.177 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)C12CCC2 ZINC000247226690 343221572 /nfs/dbraw/zinc/22/15/72/343221572.db2.gz CVVAMTQYUTUXCD-FIQHERPVSA-N 0 0 237.343 2.106 50 0 BEAARN C[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F ZINC000032175829 343230511 /nfs/dbraw/zinc/23/05/11/343230511.db2.gz DMOCTORDHSLHLA-QMMMGPOBSA-N 0 0 231.217 2.296 50 0 in-vitro BEAARN O=c1c2ccncc2ncn1C1CCCCC1 ZINC000032581008 343237834 /nfs/dbraw/zinc/23/78/34/343237834.db2.gz CNAZDBPWIRAOSR-UHFFFAOYSA-N 0 0 229.283 2.297 50 0 BEAARN CCCC(=O)Nc1nc(C)c2c(n1)CCCC2 ZINC000032765266 343242377 /nfs/dbraw/zinc/24/23/77/343242377.db2.gz KISFZEHRCSFXMF-UHFFFAOYSA-N 0 0 233.315 2.402 50 0 BEAARN CCN(C(=O)c1cccc(F)c1)C1CC1 ZINC000032760912 343242378 /nfs/dbraw/zinc/24/23/78/343242378.db2.gz CCSCGDGLNJIESZ-UHFFFAOYSA-N 0 0 207.248 2.450 50 0 BEAARN COC(=O)CC[N@H+](C)Cc1sccc1C ZINC000048334016 343243589 /nfs/dbraw/zinc/24/35/89/343243589.db2.gz NFZUGTLWKGJINZ-UHFFFAOYSA-N 0 0 227.329 2.051 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000032926583 343244440 /nfs/dbraw/zinc/24/44/40/343244440.db2.gz PAXVCPSLORFSEC-UHFFFAOYSA-N 0 0 244.298 2.252 50 0 BEAARN Cc1ccc(C[N@H+]2CC=C(C(=O)[O-])CC2)cc1 ZINC000032918658 343244496 /nfs/dbraw/zinc/24/44/96/343244496.db2.gz YVBQMEGTGKSVAT-UHFFFAOYSA-N 0 0 231.295 2.212 50 0 BEAARN CN1C(=O)[C@@H](Cc2ccccc2)N[C@H]1C(C)(C)C ZINC000034040228 343263838 /nfs/dbraw/zinc/26/38/38/343263838.db2.gz SKHPYKHVYFTIOI-TZMCWYRMSA-N 0 0 246.354 2.032 50 0 BEAARN CSc1cc(C)nc(SC)c1N ZINC000034061470 343263878 /nfs/dbraw/zinc/26/38/78/343263878.db2.gz IQVWDAKMASGPBX-UHFFFAOYSA-N 0 0 200.332 2.416 50 0 BEAARN COC(=O)[C@@H](C)NC(=O)CCC1CCCCC1 ZINC000002683948 343270766 /nfs/dbraw/zinc/27/07/66/343270766.db2.gz DMKJHAKKNSYLBE-SNVBAGLBSA-N 0 0 241.331 2.025 50 0 BEAARN CC(C)(C)OC(=O)c1cc(N)ccc1F ZINC000034462828 343271765 /nfs/dbraw/zinc/27/17/65/343271765.db2.gz CFAFNDBKLVKVHO-UHFFFAOYSA-N 0 0 211.236 2.363 50 0 BEAARN CC(C)(C)N1C=NC2(CCCCC2)C1=O ZINC000023009003 343272283 /nfs/dbraw/zinc/27/22/83/343272283.db2.gz ALRFLXQDPNYNCI-UHFFFAOYSA-N 0 0 208.305 2.358 50 0 BEAARN NC(=O)N[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000002898303 343272344 /nfs/dbraw/zinc/27/23/44/343272344.db2.gz PSUBSMFZNHYTRP-ZDUSSCGKSA-N 0 0 242.278 2.150 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(C)(C)C1=O ZINC000034535306 343274366 /nfs/dbraw/zinc/27/43/66/343274366.db2.gz YWHAMKLJJVSOHM-UHFFFAOYSA-N 0 0 213.277 2.180 50 0 BEAARN Cc1csc(CN(C)C(=O)c2cc[nH]c2C)n1 ZINC000176640186 343277956 /nfs/dbraw/zinc/27/79/56/343277956.db2.gz GNBKHPHUTGOTBY-UHFFFAOYSA-N 0 0 249.339 2.360 50 0 BEAARN CC(C)C[C@H](N)C(=O)OCc1ccccc1 ZINC000034781155 343278187 /nfs/dbraw/zinc/27/81/87/343278187.db2.gz MBRRYUQWSOODEO-LBPRGKRZSA-N 0 0 221.300 2.103 50 0 BEAARN CC[C@@H]1CCCN(C(=O)c2cncnc2)CC1 ZINC000273967582 343278859 /nfs/dbraw/zinc/27/88/59/343278859.db2.gz OTDBSPSSVBQHJU-LLVKDONJSA-N 0 0 233.315 2.129 50 0 BEAARN CC(C)n1cc(I)cn1 ZINC000036533631 343319855 /nfs/dbraw/zinc/31/98/55/343319855.db2.gz CFXNVDUEBJYAAZ-UHFFFAOYSA-N 0 0 236.056 2.069 50 0 BEAARN O=C([O-])[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000035296616 343292513 /nfs/dbraw/zinc/29/25/13/343292513.db2.gz BYFHWNGHYYXTCP-LBPRGKRZSA-N 0 0 225.332 2.363 50 0 BEAARN CON(C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000035633107 343300760 /nfs/dbraw/zinc/30/07/60/343300760.db2.gz AFPRGMGUHZFQKY-UHFFFAOYSA-N 0 0 237.299 2.497 50 0 BEAARN Nc1cccc(-c2noc([C@H]3CCCO3)n2)c1 ZINC000035697277 343302490 /nfs/dbraw/zinc/30/24/90/343302490.db2.gz ZTEWIHXFQMCXSD-SNVBAGLBSA-N 0 0 231.255 2.170 50 0 BEAARN COc1cc(Cl)cc2c(=O)cc[nH]c12 ZINC000036075604 343308248 /nfs/dbraw/zinc/30/82/48/343308248.db2.gz RRKJLLXXCYQFQR-UHFFFAOYSA-N 0 0 209.632 2.190 50 0 BEAARN Cc1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000038321623 343373694 /nfs/dbraw/zinc/37/36/94/343373694.db2.gz KUXLNQVLYVVIJK-UHFFFAOYSA-N 0 0 215.252 2.262 50 0 BEAARN O=C(OCc1ccccc1)N1CCC[C@@H](O)CC1 ZINC000038339316 343374195 /nfs/dbraw/zinc/37/41/95/343374195.db2.gz GJXUQWPNVHGPQC-CYBMUJFWSA-N 0 0 249.310 2.170 50 0 BEAARN O=C1CCc2cc(NC3CCOCC3)ccc2N1 ZINC000037123706 343334956 /nfs/dbraw/zinc/33/49/56/343334956.db2.gz HBVPCUVRIGWZOZ-UHFFFAOYSA-N 0 0 246.310 2.162 50 0 BEAARN CC(C)c1cccc(NC(=O)[C@H]2CCC(=O)N2)c1 ZINC000032986236 343350949 /nfs/dbraw/zinc/35/09/49/343350949.db2.gz RINMTWTVDLRXDY-GFCCVEGCSA-N 0 0 246.310 2.027 50 0 BEAARN CCS(=O)(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000013322675 346935346 /nfs/dbraw/zinc/93/53/46/346935346.db2.gz RADJVHXPDNQOFP-NSHDSACASA-N 0 0 241.356 2.304 50 0 BEAARN C[C@]1(C(=O)Nc2ccccc2O)CC1(F)F ZINC000335641917 136308655 /nfs/dbraw/zinc/30/86/55/136308655.db2.gz XKVFNADVWWAYFK-SNVBAGLBSA-N 0 0 227.210 2.376 50 0 BEAARN COC(=O)c1nc(-c2ccc(C)cc2)oc1N ZINC000040542116 343406851 /nfs/dbraw/zinc/40/68/51/343406851.db2.gz GWZUDIJPXCKYSJ-UHFFFAOYSA-N 0 0 232.239 2.019 50 0 BEAARN CCc1cc2c(nc(CC)n3cnnc23)s1 ZINC000041090411 343415361 /nfs/dbraw/zinc/41/53/61/343415361.db2.gz JXUZVWIFSKRIAP-UHFFFAOYSA-N 0 0 232.312 2.464 50 0 BEAARN O=C(c1cc(C2CC2)on1)N1CCCCC1 ZINC000013363697 362221526 /nfs/dbraw/zinc/22/15/26/362221526.db2.gz MEVFUFPKAYEKNM-UHFFFAOYSA-N 0 0 220.272 2.178 50 0 BEAARN Cc1nc(N)cc(-c2ccc(F)cc2)n1 ZINC000044262537 343496744 /nfs/dbraw/zinc/49/67/44/343496744.db2.gz KKHQONCCNIVZJE-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN O=C1C[C@H](c2cccc(Br)c2)CN1 ZINC000044136858 343493166 /nfs/dbraw/zinc/49/31/66/343493166.db2.gz OKCQAQCUYZLTCI-QMMMGPOBSA-N 0 0 240.100 2.053 50 0 BEAARN CON(C)C(=O)c1cccc2ccccc21 ZINC000043198896 343465273 /nfs/dbraw/zinc/46/52/73/343465273.db2.gz FKBCHFRDVIJOCF-UHFFFAOYSA-N 0 0 215.252 2.473 50 0 BEAARN CC(=O)Oc1ccccc1C(=O)c1ccco1 ZINC000043210682 343465821 /nfs/dbraw/zinc/46/58/21/343465821.db2.gz WQDATVXQSHKNRT-UHFFFAOYSA-N 0 0 230.219 2.436 50 0 BEAARN Fc1ccc(-c2ncnc(Cl)n2)cc1 ZINC000043220544 343466354 /nfs/dbraw/zinc/46/63/54/343466354.db2.gz TVEJIACTWFUXHL-UHFFFAOYSA-N 0 0 209.611 2.331 50 0 BEAARN Fc1cc2cc[nH]c2nc1Br ZINC000044712713 343512847 /nfs/dbraw/zinc/51/28/47/343512847.db2.gz VJXFQZOLFOEPAN-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Nc1nc2ccc3ccncc3c2s1 ZINC000045237823 343526791 /nfs/dbraw/zinc/52/67/91/343526791.db2.gz UCFPYNYOEBBXAF-UHFFFAOYSA-N 0 0 201.254 2.427 50 0 BEAARN CC(C)(C)c1ccc2c(c1)OCC(=O)N2 ZINC000045918603 343535604 /nfs/dbraw/zinc/53/56/04/343535604.db2.gz OIAFGLOZLZXVAU-UHFFFAOYSA-N 0 0 205.257 2.315 50 0 BEAARN Cc1c(N)cnn1-c1cccc(Cl)c1 ZINC000048218402 343573260 /nfs/dbraw/zinc/57/32/60/343573260.db2.gz GVOBTDZLOBTPRX-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN CC[C@H]1CCCCN1C(=O)Cn1cccc1C=O ZINC000072331887 343659422 /nfs/dbraw/zinc/65/94/22/343659422.db2.gz BGBSTSUHJICMDG-LBPRGKRZSA-N 0 0 248.326 2.092 50 0 BEAARN O=c1[nH]nnc2sc3c(c21)CCCCCC3 ZINC000004626085 343692539 /nfs/dbraw/zinc/69/25/39/343692539.db2.gz YUVRFHLGJYPEST-UHFFFAOYSA-N 0 0 235.312 2.039 50 0 BEAARN Cc1cc(=O)oc2cc3c(cc12)CCCN3 ZINC000000525942 346977739 /nfs/dbraw/zinc/97/77/39/346977739.db2.gz PZTQNUMZYIQRGY-UHFFFAOYSA-N 0 0 215.252 2.460 50 0 biogenic BEAARN Cc1ccnc(N2CCC[C@@H]2C(F)F)n1 ZINC000334216682 343839385 /nfs/dbraw/zinc/83/93/85/343839385.db2.gz RPZVIOPDKICGKV-MRVPVSSYSA-N 0 0 213.231 2.019 50 0 BEAARN Cc1nccn1Cc1nc2ccccc2[nH]1 ZINC000095990937 343884225 /nfs/dbraw/zinc/88/42/25/343884225.db2.gz SYWGOXJUKFKZDJ-UHFFFAOYSA-N 0 0 212.256 2.116 50 0 BEAARN Cc1ccc(CNC(=O)c2ccccn2)s1 ZINC000048345176 178600547 /nfs/dbraw/zinc/60/05/47/178600547.db2.gz NHKNRMJLRAISBW-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CN(C(=O)c1ccon1)c1ccc(F)cc1 ZINC000334468742 343887556 /nfs/dbraw/zinc/88/75/56/343887556.db2.gz YEKCNYNELVENGV-UHFFFAOYSA-N 0 0 220.203 2.090 50 0 BEAARN C[C@@H](NC(=O)[C@H]1CCCS1)C(C)(F)F ZINC000334681939 343901403 /nfs/dbraw/zinc/90/14/03/343901403.db2.gz CKKORMFLWUFBNJ-RNFRBKRXSA-N 0 0 223.288 2.042 50 0 BEAARN Cc1cc(C)n(C(=O)COc2ccccc2)n1 ZINC000000027684 343918301 /nfs/dbraw/zinc/91/83/01/343918301.db2.gz BGTULJNJTLEWGZ-UHFFFAOYSA-N 0 0 230.267 2.219 50 0 BEAARN Cc1cc(C)n(C(=O)c2ccc(F)c(F)c2)n1 ZINC000000037190 344042810 /nfs/dbraw/zinc/04/28/10/344042810.db2.gz SMXUBXJQCDXYQW-UHFFFAOYSA-N 0 0 236.221 2.467 50 0 BEAARN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(C)=O ZINC000095423385 168465226 /nfs/dbraw/zinc/46/52/26/168465226.db2.gz OVCBAGNIFOUREM-QWRGUYRKSA-N 0 0 213.321 2.058 50 0 BEAARN Cc1csc(NC(=O)Nc2cccnc2)n1 ZINC000000040061 344062365 /nfs/dbraw/zinc/06/23/65/344062365.db2.gz XBXAKMMWJMUWBC-UHFFFAOYSA-N 0 0 234.284 2.491 50 0 BEAARN CCc1noc(C)c1CNc1cnn(CC)c1 ZINC000585137394 344149235 /nfs/dbraw/zinc/14/92/35/344149235.db2.gz WSGIJKYVWHMYCX-UHFFFAOYSA-N 0 0 234.303 2.374 50 0 BEAARN CC(C)(C)C1=CC=Nn2cnnc2S1 ZINC000004753508 344162775 /nfs/dbraw/zinc/16/27/75/344162775.db2.gz MMLUJMPWYGOARG-UHFFFAOYSA-N 0 0 208.290 2.148 50 0 BEAARN Cc1ccc(CNc2cnccn2)s1 ZINC000003131388 178641653 /nfs/dbraw/zinc/64/16/53/178641653.db2.gz ZFOOLLVSRWMKDL-UHFFFAOYSA-N 0 0 205.286 2.459 50 0 BEAARN O=C(/C=C\N1CCCC1)c1ccccc1 ZINC000033368139 344272532 /nfs/dbraw/zinc/27/25/32/344272532.db2.gz WYSYREZQTVOTLS-FLIBITNWSA-N 0 0 201.269 2.479 50 0 BEAARN CCc1cc2c(cc1[C@H](C)O)OCCO2 ZINC000004811958 344274576 /nfs/dbraw/zinc/27/45/76/344274576.db2.gz STISAJRTJQJEFS-QMMMGPOBSA-N 0 0 208.257 2.074 50 0 BEAARN Nc1n[nH]c2ccc(-c3cccnc3)cc12 ZINC000144911731 344328604 /nfs/dbraw/zinc/32/86/04/344328604.db2.gz YRQFMGQEYZAZOZ-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN C[C@H](CC(=O)N1C[C@H](C)C[C@@H](C)C1)n1ccnc1 ZINC000032719839 344443711 /nfs/dbraw/zinc/44/37/11/344443711.db2.gz SMVYFMQBXXEXOV-JHJVBQTASA-N 0 0 249.358 2.339 50 0 BEAARN CCN(C(=O)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000032738378 344445280 /nfs/dbraw/zinc/44/52/80/344445280.db2.gz CKCYNGDOCRTEIC-LBPRGKRZSA-N 0 0 237.274 2.358 50 0 BEAARN CC(F)(F)C(C)(C)NC(=O)c1ncccc1F ZINC000622893349 344456466 /nfs/dbraw/zinc/45/64/66/344456466.db2.gz VZUMJDDSKOFZGB-UHFFFAOYSA-N 0 0 246.232 2.384 50 0 BEAARN CCCc1c(N)c(C(C)=O)cc(C(C)=O)c1O ZINC000000157857 344577385 /nfs/dbraw/zinc/57/73/85/344577385.db2.gz KAOVWCZQHGBCJL-UHFFFAOYSA-N 0 0 235.283 2.332 50 0 BEAARN C[C@@H](NS(C)(=O)=O)c1cccc2ccccc21 ZINC000048331655 344585678 /nfs/dbraw/zinc/58/56/78/344585678.db2.gz KGELUNWPWFIDQZ-SNVBAGLBSA-N 0 0 249.335 2.450 50 0 BEAARN COC(=O)NCCc1c[nH]c2ccccc12 ZINC000000379050 344736252 /nfs/dbraw/zinc/73/62/52/344736252.db2.gz HCBAFFNXFPNJMN-UHFFFAOYSA-N 0 0 218.256 2.066 50 0 biogenic BEAARN Cc1ccc(N)c(OC[C@H]2CCCO2)c1 ZINC000014629706 178703285 /nfs/dbraw/zinc/70/32/85/178703285.db2.gz UIGLNHKUZFXTLT-SNVBAGLBSA-N 0 0 207.273 2.135 50 0 BEAARN Cc1[nH]c2ccccc2c1C(=O)CN(C)C ZINC000000314054 344692583 /nfs/dbraw/zinc/69/25/83/344692583.db2.gz HTPWNCFSBKSYEQ-UHFFFAOYSA-N 0 0 216.284 2.221 50 0 biogenic BEAARN c1coc(-c2nc3c(ccc4nonc43)[nH]2)c1 ZINC000000316982 344693843 /nfs/dbraw/zinc/69/38/43/344693843.db2.gz GQVFYWBMYBJEBE-UHFFFAOYSA-N 0 0 226.195 2.359 50 0 BEAARN CC1=C2CCC[C@H]3C(=O)OC[C@]23CCC1=O ZINC000000343228 344712781 /nfs/dbraw/zinc/71/27/81/344712781.db2.gz IZSYRAMVXJMYEW-GXFFZTMASA-N 0 0 220.268 2.009 50 0 BEAARN CC[NH+](CC)CCC(=O)c1ccc2c(c1)OCO2 ZINC000004903965 344808685 /nfs/dbraw/zinc/80/86/85/344808685.db2.gz YOIPCJACNMYBBZ-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC000005117211 344951282 /nfs/dbraw/zinc/95/12/82/344951282.db2.gz UOLIKXCOOAWSDS-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN CC(C)[C@@H]1C(=O)CCN1C(=O)OC(C)(C)C ZINC000238172220 344981272 /nfs/dbraw/zinc/98/12/72/344981272.db2.gz RJMZLGWLBICATL-SNVBAGLBSA-N 0 0 227.304 2.221 50 0 BEAARN C=CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000217397163 345021065 /nfs/dbraw/zinc/02/10/65/345021065.db2.gz UOLNDRSQRIANNI-UHFFFAOYSA-N 0 0 226.279 2.239 50 0 BEAARN Cc1ccc(OCCO[C@@H]2CCCCO2)nc1 ZINC000225664236 178812467 /nfs/dbraw/zinc/81/24/67/178812467.db2.gz NRVZKGIWCQMUQG-CYBMUJFWSA-N 0 0 237.299 2.312 50 0 BEAARN Nc1cc(COC(=O)C2CCCCC2)ccn1 ZINC000252504486 345535286 /nfs/dbraw/zinc/53/52/86/345535286.db2.gz VJIOUAVIDWEGGI-UHFFFAOYSA-N 0 0 234.299 2.287 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)NC2CC2)o1 ZINC000048844582 178885788 /nfs/dbraw/zinc/88/57/88/178885788.db2.gz OUBNSLGWOHBRJA-QMMMGPOBSA-N 0 0 208.261 2.111 50 0 BEAARN CCN(CC)C(=S)S[C@@H]1C[C@H](C)OC1=O ZINC000072685732 345666674 /nfs/dbraw/zinc/66/66/74/345666674.db2.gz LWYQSYPRAPNDIA-JGVFFNPUSA-N 0 0 247.385 2.050 50 0 BEAARN CCCC(=O)N(C)CCc1ccccc1 ZINC000045177955 168532926 /nfs/dbraw/zinc/53/29/26/168532926.db2.gz LHVYQTKKCBLJQX-UHFFFAOYSA-N 0 0 205.301 2.488 50 0 BEAARN Cc1nccc(NC(=O)N(C)CC2CCC2)n1 ZINC000095942348 345686824 /nfs/dbraw/zinc/68/68/24/345686824.db2.gz HRTXDNQWGUJPNO-UHFFFAOYSA-N 0 0 234.303 2.049 50 0 BEAARN C[C@H]1OCC[C@H]1Sc1ncc(Cl)cn1 ZINC000095973769 345686912 /nfs/dbraw/zinc/68/69/12/345686912.db2.gz BFUGTWSLJOARCO-HTRCEHHLSA-N 0 0 230.720 2.400 50 0 BEAARN O=C(N[C@H]1CC[C@@H](O)CC1)OCc1ccccc1 ZINC000142169844 345857841 /nfs/dbraw/zinc/85/78/41/345857841.db2.gz JNPBKQOVSMBPGE-JOCQHMNTSA-N 0 0 249.310 2.216 50 0 BEAARN Cc1cnc(NCc2cnc3cnccn23)s1 ZINC000170594968 345870194 /nfs/dbraw/zinc/87/01/94/345870194.db2.gz KZXWRLFOYRBABN-UHFFFAOYSA-N 0 0 245.311 2.106 50 0 BEAARN CCc1nc(CC)n(Cc2nc(C)cs2)n1 ZINC000083830367 345920348 /nfs/dbraw/zinc/92/03/48/345920348.db2.gz LHTBXRVLWMLERP-UHFFFAOYSA-N 0 0 236.344 2.216 50 0 BEAARN O=C(Oc1ccc2c(c1)CCC2)N1CCOCC1 ZINC000000621563 345969552 /nfs/dbraw/zinc/96/95/52/345969552.db2.gz UWPRYCXYILOQNJ-UHFFFAOYSA-N 0 0 247.294 2.006 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1csnc1C ZINC000190724722 345986055 /nfs/dbraw/zinc/98/60/55/345986055.db2.gz NWHMNKGOSNRJHZ-SSDOTTSWSA-N 0 0 229.301 2.033 50 0 BEAARN C=CC(=O)Nc1ccc2oc(COC)nc2c1 ZINC000685940666 537930395 /nfs/dbraw/zinc/93/03/95/537930395.db2.gz QVUZAQHVHGMSHG-UHFFFAOYSA-N 0 0 232.239 2.099 50 0 BEAARN CCOCCCC(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000685945131 537935055 /nfs/dbraw/zinc/93/50/55/537935055.db2.gz XGKRJLCRYAOXKN-INIZCTEOSA-N 0 0 249.376 2.226 50 0 BEAARN CCC(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000192055457 346080021 /nfs/dbraw/zinc/08/00/21/346080021.db2.gz DXSPGCGMUWFQCX-DOMZBBRYSA-N 0 0 249.354 2.142 50 0 BEAARN CN(C)c1cccc(NC(=O)c2cccnc2)c1 ZINC000005334546 346190494 /nfs/dbraw/zinc/19/04/94/346190494.db2.gz XWFQOXSYHYROJG-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN O=C1NCCCC[C@@H]1Sc1ccccc1 ZINC000034077956 346190867 /nfs/dbraw/zinc/19/08/67/346190867.db2.gz VDMBFMQIWFRBSK-NSHDSACASA-N 0 0 221.325 2.447 50 0 BEAARN Cn1ccnc1SCc1ccc2c(c1)OCO2 ZINC000005359437 346197257 /nfs/dbraw/zinc/19/72/57/346197257.db2.gz NMODUXVCBWHNPE-UHFFFAOYSA-N 0 0 248.307 2.441 50 0 BEAARN Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1 ZINC000010543125 179005577 /nfs/dbraw/zinc/00/55/77/179005577.db2.gz MSJXKDKGLDMETH-KGLIPLIRSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1cccc(C(=O)N2CCCO2)c1C ZINC000097083463 179009004 /nfs/dbraw/zinc/00/90/04/179009004.db2.gz BSBOTWXLSJMOHZ-UHFFFAOYSA-N 0 0 205.257 2.081 50 0 BEAARN Cc1cccc(C(=O)N2CCC[C@H](CO)C2)c1C ZINC000032720106 179009055 /nfs/dbraw/zinc/00/90/55/179009055.db2.gz IIWCBLLFMBHLDE-ZDUSSCGKSA-N 0 0 247.338 2.148 50 0 BEAARN Cc1cccc(C(=O)N2CCSCC2)c1C ZINC000040542068 179010456 /nfs/dbraw/zinc/01/04/56/179010456.db2.gz VSUJYJKJODSVNU-UHFFFAOYSA-N 0 0 235.352 2.492 50 0 BEAARN CC(C)CC(=O)NCCc1ccccc1 ZINC000005497531 346241926 /nfs/dbraw/zinc/24/19/26/346241926.db2.gz GIOFEZBLCNCEBN-UHFFFAOYSA-N 0 0 205.301 2.391 50 0 biogenic,in-vitro BEAARN Cc1ccc2c(c1)c1ncnc(N(C)C)c1n2C ZINC000005516202 346245878 /nfs/dbraw/zinc/24/58/78/346245878.db2.gz MFHZNQXPSBCVSE-UHFFFAOYSA-N 0 0 240.310 2.496 50 0 BEAARN Cc1cccc(C(=O)NC2=NC[C@@H](C)S2)c1 ZINC000003074013 179014287 /nfs/dbraw/zinc/01/42/87/179014287.db2.gz GVKJNVLGYLXAPX-SECBINFHSA-N 0 0 234.324 2.216 50 0 BEAARN Cc1cccc(C(=O)NC2CCCCC2)n1 ZINC000024244030 179014421 /nfs/dbraw/zinc/01/44/21/179014421.db2.gz ATDFTDTWDQJCRX-UHFFFAOYSA-N 0 0 218.300 2.453 50 0 BEAARN Cc1cccc(C(=O)NC(C2CC2)C2CC2)n1 ZINC000025609817 179015080 /nfs/dbraw/zinc/01/50/80/179015080.db2.gz BSSFJSGHPOYVGA-UHFFFAOYSA-N 0 0 230.311 2.308 50 0 BEAARN O=C(CN1CCCCC1)Nc1ccccc1F ZINC000005022687 346258648 /nfs/dbraw/zinc/25/86/48/346258648.db2.gz WVCLWGNWJXMAIT-UHFFFAOYSA-N 0 0 236.290 2.250 50 0 BEAARN Cc1cc(C=O)c(C)n1CC(F)(F)F ZINC000005573889 346267484 /nfs/dbraw/zinc/26/74/84/346267484.db2.gz HLFAYEMLDYVEGC-UHFFFAOYSA-N 0 0 205.179 2.480 50 0 BEAARN C1=CC[C@@H]2CN(c3nc(C4CC4)no3)C[C@H]2C1 ZINC000078370799 537964102 /nfs/dbraw/zinc/96/41/02/537964102.db2.gz YEADSVSDAZSBMT-GHMZBOCLSA-N 0 0 231.299 2.349 50 0 BEAARN Cc1cc(C)nc(S[C@H]2CCCC[C@@H]2O)n1 ZINC000000470354 346274328 /nfs/dbraw/zinc/27/43/28/346274328.db2.gz DQPQJMNHVCKZCS-QWRGUYRKSA-N 0 0 238.356 2.489 50 0 BEAARN Cc1noc(NC(=O)c2cccc(C)n2)c1C ZINC000096427055 179026334 /nfs/dbraw/zinc/02/63/34/179026334.db2.gz UMLAMOHECSBDLB-UHFFFAOYSA-N 0 0 231.255 2.247 50 0 BEAARN CCCC(=O)NCC(=O)Nc1cccc(C)c1C ZINC000015535230 168548734 /nfs/dbraw/zinc/54/87/34/168548734.db2.gz VFMKUVOSGWFFCT-UHFFFAOYSA-N 0 0 248.326 2.158 50 0 BEAARN Cc1cccc(C(=O)n2nnc3ccccc32)c1 ZINC000000360481 179027525 /nfs/dbraw/zinc/02/75/25/179027525.db2.gz HVNAIHUDBKOXIV-UHFFFAOYSA-N 0 0 237.262 2.428 50 0 BEAARN Cc1cccc(CC(=O)NCC(C)C)c1 ZINC000006729800 179052562 /nfs/dbraw/zinc/05/25/62/179052562.db2.gz YPODRCUDSTVLKE-UHFFFAOYSA-N 0 0 205.301 2.310 50 0 BEAARN CCCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000000405581 168552118 /nfs/dbraw/zinc/55/21/18/168552118.db2.gz KMVGALTYGNJCSF-UHFFFAOYSA-N 0 0 237.299 2.120 50 0 BEAARN CC[C@@H](O)COc1ccc(OC)c(C(C)=O)c1 ZINC000157055652 346375882 /nfs/dbraw/zinc/37/58/82/346375882.db2.gz ZUOMVWYXBMUSNY-SNVBAGLBSA-N 0 0 238.283 2.048 50 0 BEAARN CN(C)c1ncnc2sc3c(c21)CCC3 ZINC000000316168 346411426 /nfs/dbraw/zinc/41/14/26/346411426.db2.gz GCEKBYYVAGLOER-UHFFFAOYSA-N 0 0 219.313 2.246 50 0 BEAARN CSc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000000581091 346419786 /nfs/dbraw/zinc/41/97/86/346419786.db2.gz YNOZRTVYWDBSGD-UHFFFAOYSA-N 0 0 245.369 2.095 50 0 BEAARN O=C(c1ccncc1)N1CCc2ccccc2C1 ZINC000006341724 346515410 /nfs/dbraw/zinc/51/54/10/346515410.db2.gz UWJFZEPVRXCFCN-UHFFFAOYSA-N 0 0 238.290 2.280 50 0 BEAARN Cc1ccsc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000002642751 346529772 /nfs/dbraw/zinc/52/97/72/346529772.db2.gz VXXYJKCFIMSTAN-NXEZZACHSA-N 0 0 239.340 2.306 50 0 BEAARN COc1cc(NC(=O)CSC)cc(OC)c1 ZINC000002884333 346537956 /nfs/dbraw/zinc/53/79/56/346537956.db2.gz USKDNISELOUSRP-UHFFFAOYSA-N 0 0 241.312 2.005 50 0 BEAARN COC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000003896875 346582024 /nfs/dbraw/zinc/58/20/24/346582024.db2.gz KVYWCOQWNCLBCI-UHFFFAOYSA-N 0 0 209.289 2.311 50 0 BEAARN Cc1cccc(N2C(=O)[C@H]3CCCN3C2=S)c1 ZINC000000217541 179122530 /nfs/dbraw/zinc/12/25/30/179122530.db2.gz ITLXIVUNRVMYPH-LLVKDONJSA-N 0 0 246.335 2.091 50 0 BEAARN Cc1ccc(N[C@@H]2SC(=O)N(C)C2=O)cc1 ZINC000004450719 346601338 /nfs/dbraw/zinc/60/13/38/346601338.db2.gz PRZVOLCSRRTEFV-SECBINFHSA-N 0 0 236.296 2.058 50 0 BEAARN Cc1cccc(NC(=O)C2(C)COC2)c1F ZINC000272774659 179125461 /nfs/dbraw/zinc/12/54/61/179125461.db2.gz GEZDRARHTQRVDD-UHFFFAOYSA-N 0 0 223.247 2.109 50 0 BEAARN CCCC(=O)Nc1nc2ccccc2[nH]1 ZINC000005385454 346615527 /nfs/dbraw/zinc/61/55/27/346615527.db2.gz JUCJDWYJWGFMKW-UHFFFAOYSA-N 0 0 203.245 2.302 50 0 BEAARN CC(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585147952 346648017 /nfs/dbraw/zinc/64/80/17/346648017.db2.gz KDGSEVNLIDXORU-ZDUSSCGKSA-N 0 0 245.278 2.116 50 0 BEAARN Cc1ccc2ncc(CNc3ncccn3)n2c1 ZINC000187918324 346649189 /nfs/dbraw/zinc/64/91/89/346649189.db2.gz MLRGMDNXYQCEJS-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN Cc1cccc(CC(=O)NC(C)(C)C)c1 ZINC000006728588 346655177 /nfs/dbraw/zinc/65/51/77/346655177.db2.gz ISMFRHJUTDTVIF-UHFFFAOYSA-N 0 0 205.301 2.452 50 0 BEAARN Cc1cccc(NC(=O)CSC(N)=O)c1C ZINC000002889043 179129153 /nfs/dbraw/zinc/12/91/53/179129153.db2.gz NMTBKPUHBMTIOP-UHFFFAOYSA-N 0 0 238.312 2.054 50 0 BEAARN Cc1cccc(NC(=O)C[C@H]2C[C@@H](C)OC2=O)c1 ZINC000000207979 179129166 /nfs/dbraw/zinc/12/91/66/179129166.db2.gz FCIGZCIFYFVMOK-GHMZBOCLSA-N 0 0 247.294 2.275 50 0 BEAARN Cc1noc(C)c1CC(=O)Nc1cccc(C)n1 ZINC000040476460 179130016 /nfs/dbraw/zinc/13/00/16/179130016.db2.gz CJYXTOYGNBLUFP-UHFFFAOYSA-N 0 0 245.282 2.176 50 0 BEAARN CCCC[C@@H](CC)C(=O)N1CCOCC1 ZINC000005713340 346626952 /nfs/dbraw/zinc/62/69/52/346626952.db2.gz WJNJRMDHLZDCJH-LLVKDONJSA-N 0 0 213.321 2.062 50 0 BEAARN CC(C)C(=O)Nc1nc2ccccc2[nH]1 ZINC000005841254 346632534 /nfs/dbraw/zinc/63/25/34/346632534.db2.gz JVFBVPWDPRTTLQ-UHFFFAOYSA-N 0 0 203.245 2.157 50 0 BEAARN Cc1cccc(NC(=O)c2cnsn2)c1C ZINC000000935406 179142687 /nfs/dbraw/zinc/14/26/87/179142687.db2.gz YRLGVQQHEPCBTD-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1cccc(NC(=O)c2csnn2)c1 ZINC000011914437 179142811 /nfs/dbraw/zinc/14/28/11/179142811.db2.gz NYBBMPIGLYERAK-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CCN1C(=O)S[C@H](Nc2ccccc2)C1=O ZINC000008794026 346687723 /nfs/dbraw/zinc/68/77/23/346687723.db2.gz VYZOGGLDVOBBOR-VIFPVBQESA-N 0 0 236.296 2.140 50 0 BEAARN Cc1cccc(NCn2nnc3ccccc32)n1 ZINC000019015039 179151777 /nfs/dbraw/zinc/15/17/77/179151777.db2.gz RQLFRCQRYLVZLZ-UHFFFAOYSA-N 0 0 239.282 2.204 50 0 BEAARN Cc1cccc(N[C@@H]2CCCCNC2=O)c1 ZINC000012545011 179155083 /nfs/dbraw/zinc/15/50/83/179155083.db2.gz JZDLOKZYOJBZKE-GFCCVEGCSA-N 0 0 218.300 2.076 50 0 BEAARN Cc1cccc(OCC(=O)NCC(C)C)c1C ZINC000001205937 179163620 /nfs/dbraw/zinc/16/36/20/179163620.db2.gz MBVICUZMUKSTLV-UHFFFAOYSA-N 0 0 235.327 2.454 50 0 BEAARN Cc1cccc(O[C@@H](C)C(=O)N2CCCC2)c1 ZINC000012859803 179172959 /nfs/dbraw/zinc/17/29/59/179172959.db2.gz UPTMUVNDRWNFDT-LBPRGKRZSA-N 0 0 233.311 2.385 50 0 BEAARN Cc1cccc(OCc2nn3cnnc3s2)c1 ZINC000004487491 179173870 /nfs/dbraw/zinc/17/38/70/179173870.db2.gz AVDNRLBIQIVYQY-UHFFFAOYSA-N 0 0 246.295 2.073 50 0 BEAARN Cc1cccc(O[C@H](C)C(=O)NC(C)C)c1 ZINC000046346298 179174916 /nfs/dbraw/zinc/17/49/16/179174916.db2.gz IYSWRFJOFQHBBK-LLVKDONJSA-N 0 0 221.300 2.287 50 0 BEAARN Cc1c(O)nc(-c2ccc(Cl)cc2)oc1=O ZINC000016265002 347166437 /nfs/dbraw/zinc/16/64/37/347166437.db2.gz RDBXSJYMVOFHDF-UHFFFAOYSA-N 0 0 237.642 2.369 50 0 BEAARN Cc1cccc([C@@H](C(=O)N2CCCC2)N(C)C)c1 ZINC000095363376 179179502 /nfs/dbraw/zinc/17/95/02/179179502.db2.gz XDHDWYBCZKVGBI-AWEZNQCLSA-N 0 0 246.354 2.220 50 0 BEAARN Cc1cccc([C@@H](C(=O)[O-])[NH+]2CCCC2)c1 ZINC000016745288 179179695 /nfs/dbraw/zinc/17/96/95/179179695.db2.gz YXYDVDIAHHXZKT-LBPRGKRZSA-N 0 0 219.284 2.217 50 0 BEAARN CC(C)(C)C(=O)NCCc1ccsc1 ZINC000013698208 362799324 /nfs/dbraw/zinc/79/93/24/362799324.db2.gz FGNRABXUVFANPN-UHFFFAOYSA-N 0 0 211.330 2.453 50 0 BEAARN Cc1cccc([C@](C)(O)c2c[nH]cn2)c1C ZINC000095933539 179205484 /nfs/dbraw/zinc/20/54/84/179205484.db2.gz LBUFLYABQRDXQB-ZDUSSCGKSA-N 0 0 216.284 2.282 50 0 BEAARN Cc1ccc(Cl)c(OCCCO)c1 ZINC000019786180 347355765 /nfs/dbraw/zinc/35/57/65/347355765.db2.gz NRLAVISBWIWGHS-UHFFFAOYSA-N 0 0 200.665 2.410 50 0 BEAARN CCS(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020030076 347401914 /nfs/dbraw/zinc/40/19/14/347401914.db2.gz RUSJYUIFRXJVKS-QMMMGPOBSA-N 0 0 247.747 2.340 50 0 BEAARN Cc1cccc2c1N[C@H](c1ccccn1)NC2=O ZINC000028923417 179220328 /nfs/dbraw/zinc/22/03/28/179220328.db2.gz YKYCMVFBXDKOQT-ZDUSSCGKSA-N 0 0 239.278 2.244 50 0 BEAARN CN(C1CCCC1)S(=O)(=O)c1ccccc1 ZINC000020047307 347400858 /nfs/dbraw/zinc/40/08/58/347400858.db2.gz QPUDRMSRHAZXJO-UHFFFAOYSA-N 0 0 239.340 2.250 50 0 BEAARN Cc1ccccc1-c1noc([C@H](C)N)n1 ZINC000004502266 179241473 /nfs/dbraw/zinc/24/14/73/179241473.db2.gz QNDHHFVHVWUZQY-QMMMGPOBSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1ccccc1C(=O)N1N=C(N)SC1(C)C ZINC000006860991 179248474 /nfs/dbraw/zinc/24/84/74/179248474.db2.gz UGRBZLHJNOJEKU-UHFFFAOYSA-N 0 0 249.339 2.150 50 0 BEAARN Cn1cc(-c2cc(C(F)F)n3nccc3n2)cn1 ZINC000020617626 347518219 /nfs/dbraw/zinc/51/82/19/347518219.db2.gz SNPGRACKXCLULI-UHFFFAOYSA-N 0 0 249.224 2.067 50 0 BEAARN Cc1ccccc1C(=O)NCc1ccncc1 ZINC000000315030 179251341 /nfs/dbraw/zinc/25/13/41/179251341.db2.gz MDZCCUAYVWYPBG-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1ccccc1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000075156708 179252597 /nfs/dbraw/zinc/25/25/97/179252597.db2.gz UGMMHKYXCOSUJS-NWDGAFQWSA-N 0 0 233.311 2.028 50 0 BEAARN Cc1ccccc1CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000006700211 179259173 /nfs/dbraw/zinc/25/91/73/179259173.db2.gz MRZXFNQCLKKOQN-JSGCOSHPSA-N 0 0 247.338 2.221 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000012118749 347586852 /nfs/dbraw/zinc/58/68/52/347586852.db2.gz OBLJDNAQRUQIEQ-UHFFFAOYSA-N 0 0 248.282 2.002 50 0 BEAARN Cc1nc(SCCCF)[nH]c(=O)c1C ZINC000195551574 347641836 /nfs/dbraw/zinc/64/18/36/347641836.db2.gz HPQJEFMBRWSNEI-UHFFFAOYSA-N 0 0 216.281 2.251 50 0 BEAARN O=C(OCc1ccc(Cl)cn1)c1cccnc1 ZINC000195574081 347647825 /nfs/dbraw/zinc/64/78/25/347647825.db2.gz PCOKUTMXZLPZHR-UHFFFAOYSA-N 0 0 248.669 2.487 50 0 BEAARN CCC(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC000195577535 347648447 /nfs/dbraw/zinc/64/84/47/347648447.db2.gz UNYJXBZZUMSKIA-UHFFFAOYSA-N 0 0 209.293 2.347 50 0 BEAARN Cc1ccccc1COC(=O)C1CC(=O)C1 ZINC000089690405 179285384 /nfs/dbraw/zinc/28/53/84/179285384.db2.gz CMRGJNRNHVDIDI-UHFFFAOYSA-N 0 0 218.252 2.017 50 0 BEAARN Cc1ccccc1NC(=O)[C@H]1CCCO1 ZINC000001456892 179301867 /nfs/dbraw/zinc/30/18/67/179301867.db2.gz SNZMZAJJWCIAGD-LLVKDONJSA-N 0 0 205.257 2.113 50 0 BEAARN Cc1ccccc1OCCNC(=O)c1ccco1 ZINC000004694536 179310332 /nfs/dbraw/zinc/31/03/32/179310332.db2.gz YOBHHFCOWHMBAS-UHFFFAOYSA-N 0 0 245.278 2.397 50 0 BEAARN Cc1ccccc1O[C@@H](C)C(=O)NC1CC1 ZINC000020482276 179313141 /nfs/dbraw/zinc/31/31/41/179313141.db2.gz XAVGZQGCRSGITP-JTQLQIEISA-N 0 0 219.284 2.041 50 0 BEAARN Cc1cc(C)n2c(c1)nc(Cl)c(C)c2=O ZINC000725244682 537997569 /nfs/dbraw/zinc/99/75/69/537997569.db2.gz LQBHCMNRAMRNEB-UHFFFAOYSA-N 0 0 222.675 2.273 50 0 BEAARN Cc1cccnc1NC(=O)COc1ccccc1 ZINC000000341649 179391498 /nfs/dbraw/zinc/39/14/98/179391498.db2.gz YAHIWBKKIYMQKO-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN Cc1cccnc1NC(=O)c1ccc(N)cc1 ZINC000000241759 179393496 /nfs/dbraw/zinc/39/34/96/179393496.db2.gz WUQYKHRMHJGLAI-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@@]1(C)c1ccccc1 ZINC000669382682 538004401 /nfs/dbraw/zinc/00/44/01/538004401.db2.gz IGBKIUKIYLOSFX-STQMWFEESA-N 0 0 220.268 2.254 50 0 BEAARN Cc1ccnc(NC(=O)Nc2ccncc2)c1 ZINC000015951955 179438711 /nfs/dbraw/zinc/43/87/11/179438711.db2.gz HORAJTDOEQJNNK-UHFFFAOYSA-N 0 0 228.255 2.429 50 0 BEAARN Cc1ccsc1C(=O)NCCCn1cccn1 ZINC000027928544 179536019 /nfs/dbraw/zinc/53/60/19/179536019.db2.gz JSYUAVZIMDTAGX-UHFFFAOYSA-N 0 0 249.339 2.073 50 0 BEAARN Cc1cnc(C(=O)N2CCCCCCC2)cn1 ZINC000032666380 179571229 /nfs/dbraw/zinc/57/12/29/179571229.db2.gz FHNSTTLQGWVSHH-UHFFFAOYSA-N 0 0 233.315 2.191 50 0 BEAARN CC[C@H](C)[C@]1(C)O[C@@]1(CC)C(=O)OC ZINC000669384328 538015309 /nfs/dbraw/zinc/01/53/09/538015309.db2.gz SZINVWZUNDFDCD-LSJOCFKGSA-N 0 0 200.278 2.143 50 0 BEAARN CC=CC=CC(=O)Nc1nc(C(C)=O)cs1 ZINC000103396248 187407087 /nfs/dbraw/zinc/40/70/87/187407087.db2.gz OVEQMSFCLAHJPY-ICWBMWKASA-N 0 0 236.296 2.417 50 0 BEAARN CC(=O)C(Sc1nc2ccccc2[nH]1)=C(C)O ZINC000001510516 187408886 /nfs/dbraw/zinc/40/88/86/187408886.db2.gz ZGNKSEGCMGFVNQ-UHFFFAOYSA-N 0 0 248.307 2.202 50 0 BEAARN CCCNC(=O)N1CCOc2ccccc21 ZINC000064554714 535085414 /nfs/dbraw/zinc/08/54/14/535085414.db2.gz BUGVLIVQJXPLIW-UHFFFAOYSA-N 0 0 220.272 2.005 50 0 BEAARN Cc1ccc(C(=O)CSc2nncn2C)cc1 ZINC000002969538 187410374 /nfs/dbraw/zinc/41/03/74/187410374.db2.gz UTOVNRQOLZNWIP-UHFFFAOYSA-N 0 0 247.323 2.099 50 0 BEAARN Cc1cccc(C)c1NC(=O)C(=O)NCC(C)C ZINC000002993432 187410546 /nfs/dbraw/zinc/41/05/46/187410546.db2.gz UKKGLLFGQIQMEP-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN C/C=C\C(=O)N(CC)CCOc1ccccc1 ZINC000004579021 187411290 /nfs/dbraw/zinc/41/12/90/187411290.db2.gz RKGSOQCFJDSDLC-BAQGIRSFSA-N 0 0 233.311 2.490 50 0 BEAARN O=C(COC(=O)c1cccs1)c1ccc[nH]1 ZINC000005636127 349041588 /nfs/dbraw/zinc/04/15/88/349041588.db2.gz TYVHXFKFIONVGL-UHFFFAOYSA-N 0 0 235.264 2.116 50 0 BEAARN CC(=O)c1ccc(NC(=O)NCC2CC2)cc1 ZINC000025237568 187420404 /nfs/dbraw/zinc/42/04/04/187420404.db2.gz VRFKEOVAMRCWFI-UHFFFAOYSA-N 0 0 232.283 2.421 50 0 BEAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000009908501 187413724 /nfs/dbraw/zinc/41/37/24/187413724.db2.gz CSXKFQVJPQVANQ-PSASIEDQSA-N 0 0 235.283 2.298 50 0 BEAARN C[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1 ZINC000036076067 187413859 /nfs/dbraw/zinc/41/38/59/187413859.db2.gz BWBOLIDGHJDZKG-VIFPVBQESA-N 0 0 239.702 2.201 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H](CF)C1 ZINC000202726713 350002203 /nfs/dbraw/zinc/00/22/03/350002203.db2.gz IINGUTRYWMGDBN-QMMMGPOBSA-N 0 0 203.257 2.213 50 0 BEAARN COc1cc(F)cc(-c2nccn2C)c1 ZINC000616575309 349083716 /nfs/dbraw/zinc/08/37/16/349083716.db2.gz YSVVTTQNTSVGOW-UHFFFAOYSA-N 0 0 206.220 2.235 50 0 BEAARN Cc1cscc1C(=O)OC1CCOCC1 ZINC000097230282 179804648 /nfs/dbraw/zinc/80/46/48/179804648.db2.gz CLKNKLAHMIOVFL-UHFFFAOYSA-N 0 0 226.297 2.392 50 0 BEAARN Cc1[nH]nc2cnc(Br)cc12 ZINC000032915087 179841020 /nfs/dbraw/zinc/84/10/20/179841020.db2.gz OPJNRVAWKYSENX-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1 ZINC000022606300 179888109 /nfs/dbraw/zinc/88/81/09/179888109.db2.gz SEHAUHNRORTVDY-VIFPVBQESA-N 0 0 230.267 2.474 50 0 BEAARN CC(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000037498016 190988917 /nfs/dbraw/zinc/98/89/17/190988917.db2.gz PTERMDVDUAUGDS-UHFFFAOYSA-N 0 0 219.284 2.118 50 0 BEAARN Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@H]3C2)o1 ZINC000089558035 179901249 /nfs/dbraw/zinc/90/12/49/179901249.db2.gz RIBXAZRXAREFDT-QWRGUYRKSA-N 0 0 234.299 2.164 50 0 BEAARN Cc1ccc(NC(=O)NCCCO)c(Cl)c1 ZINC000065536095 191001807 /nfs/dbraw/zinc/00/18/07/191001807.db2.gz VDTOQTHQGZUVTN-UHFFFAOYSA-N 0 0 242.706 2.152 50 0 BEAARN CC(C)=CC(=O)N[C@H](C)c1cccnc1 ZINC000069347744 191002096 /nfs/dbraw/zinc/00/20/96/191002096.db2.gz NFFHVXGSBUCHMT-SNVBAGLBSA-N 0 0 204.273 2.225 50 0 BEAARN Cc1ccc(F)c(N)c1Br ZINC000075915339 191005877 /nfs/dbraw/zinc/00/58/77/191005877.db2.gz ZQJFDFVJQTVXFA-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1nc(NC(=O)COCC2CC2)sc1C ZINC000040108662 180007260 /nfs/dbraw/zinc/00/72/60/180007260.db2.gz GEBROYXAFGNPLN-UHFFFAOYSA-N 0 0 240.328 2.125 50 0 BEAARN Cc1nc(NCc2cc(F)cc(F)c2)n(C)n1 ZINC000097147973 180020826 /nfs/dbraw/zinc/02/08/26/180020826.db2.gz ISDPTFMSYAORSY-UHFFFAOYSA-N 0 0 238.241 2.014 50 0 BEAARN Cc1nc([C@H]2CCCCCN2C(=O)C2CC2)no1 ZINC000170071725 180055513 /nfs/dbraw/zinc/05/55/13/180055513.db2.gz GDFXPKMTULDBRS-LLVKDONJSA-N 0 0 249.314 2.232 50 0 BEAARN Cc1nc([C@H]2CCCN2CC(F)(F)F)no1 ZINC000075573157 180056945 /nfs/dbraw/zinc/05/69/45/180056945.db2.gz VGCNDVLDGWFWKQ-SSDOTTSWSA-N 0 0 235.209 2.077 50 0 BEAARN Cc1[nH]c2cc(-c3ccco3)nn2c(=O)c1C ZINC000100649802 180074304 /nfs/dbraw/zinc/07/43/04/180074304.db2.gz PYDOYTUJQBUYNS-UHFFFAOYSA-N 0 0 229.239 2.312 50 0 BEAARN Cc1nc2c3c4c(sc3ncn2n1)CCC4 ZINC000001036629 180074367 /nfs/dbraw/zinc/07/43/67/180074367.db2.gz MZANQLHYXAKINB-UHFFFAOYSA-N 0 0 230.296 2.136 50 0 BEAARN Cc1nc2cc(Br)cnc2n1C ZINC000084238925 180076383 /nfs/dbraw/zinc/07/63/83/180076383.db2.gz ODPYZABMIQGXMO-UHFFFAOYSA-N 0 0 226.077 2.039 50 0 BEAARN O=C([C@H]1CC=CCC1)N1CC[C@H](OCC2CC2)C1 ZINC000390832017 350132982 /nfs/dbraw/zinc/13/29/82/350132982.db2.gz WQQFHYYRBKICTJ-KBPBESRZSA-N 0 0 249.354 2.370 50 0 BEAARN Cc1nc2ccc(Cl)nn2c1Br ZINC000034130825 180093356 /nfs/dbraw/zinc/09/33/56/180093356.db2.gz LHUSNTKCDGCCOB-UHFFFAOYSA-N 0 0 246.495 2.454 50 0 BEAARN Cc1nc2ccc(NC(=O)C3CC3)cc2o1 ZINC000058246562 180094818 /nfs/dbraw/zinc/09/48/18/180094818.db2.gz YJWSSCMRRXTXTH-UHFFFAOYSA-N 0 0 216.240 2.485 50 0 BEAARN Cc1cccc2nc(C)c(C(N)=O)c(C)c12 ZINC000122065209 180100549 /nfs/dbraw/zinc/10/05/49/180100549.db2.gz LCNNKUTZASKAAC-UHFFFAOYSA-N 0 0 214.268 2.259 50 0 BEAARN Cc1nc2ccccc2c(=O)n1-c1ccccn1 ZINC000000130245 180101678 /nfs/dbraw/zinc/10/16/78/180101678.db2.gz MFJAQXJDYDHLQK-UHFFFAOYSA-N 0 0 237.262 2.089 50 0 BEAARN Cc1ncc(C(=O)N[C@@H]2CC[C@@H](F)C2)s1 ZINC000336443264 180133772 /nfs/dbraw/zinc/13/37/72/180133772.db2.gz BGUBYWGFBZZGFJ-HTQZYQBOSA-N 0 0 228.292 2.072 50 0 BEAARN Cc1[nH]cnc1-c1nccn1CC(F)(F)F ZINC000071775714 180120398 /nfs/dbraw/zinc/12/03/98/180120398.db2.gz BAYJSQSZOMMJJX-UHFFFAOYSA-N 0 0 230.193 2.144 50 0 BEAARN Cc1[nH]cnc1-c1nccn1Cc1cccnc1 ZINC000067757536 180120458 /nfs/dbraw/zinc/12/04/58/180120458.db2.gz HOZAEZSPRQDYAH-UHFFFAOYSA-N 0 0 239.282 2.025 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(=O)c2ccccc2o1 ZINC000033018998 350217523 /nfs/dbraw/zinc/21/75/23/350217523.db2.gz OQPDSPKZZRBGCX-SECBINFHSA-N 0 0 245.278 2.321 50 0 BEAARN O=C(NC[C@@H]1Cc2ccccc2O1)c1ccoc1 ZINC000033117060 350222526 /nfs/dbraw/zinc/22/25/26/350222526.db2.gz GVAUMAXRZOCTHG-LBPRGKRZSA-N 0 0 243.262 2.013 50 0 BEAARN Cc1nccc(NC(=O)c2cc[nH]n2)c1Cl ZINC000097080065 180196214 /nfs/dbraw/zinc/19/62/14/180196214.db2.gz RAAOAYKPETVJRU-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN CCN(Cc1cccs1)[C@H]1C[C@@H](C)OC1=O ZINC000222033129 350229402 /nfs/dbraw/zinc/22/94/02/350229402.db2.gz SODIJYHNZQMAKB-KOLCDFICSA-N 0 0 239.340 2.274 50 0 BEAARN CC(=O)N[C@H]1CCC[C@@H]1Oc1ccccc1 ZINC000071902929 187442135 /nfs/dbraw/zinc/44/21/35/187442135.db2.gz FAINOKJHGNPYSO-STQMWFEESA-N 0 0 219.284 2.123 50 0 BEAARN CC(C)N(C(=O)Nc1cccnc1)C1CC1 ZINC000072311250 187442202 /nfs/dbraw/zinc/44/22/02/187442202.db2.gz OVWNCRGJZMSHMW-UHFFFAOYSA-N 0 0 219.288 2.486 50 0 BEAARN CC(C)(C)[C@@H]1CCc2nc(N)ncc2C1 ZINC000075606785 187443338 /nfs/dbraw/zinc/44/33/38/187443338.db2.gz NRRCYDPROOLRBJ-SECBINFHSA-N 0 0 205.305 2.210 50 0 BEAARN Cc1ccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)n1C ZINC000076022906 362952550 /nfs/dbraw/zinc/95/25/50/362952550.db2.gz XKZQIKIBJLZXBT-BETUJISGSA-N 0 0 244.338 2.372 50 0 BEAARN CCCCC(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000033065232 168626234 /nfs/dbraw/zinc/62/62/34/168626234.db2.gz ZWTHKFWEHSLMID-UHFFFAOYSA-N 0 0 238.262 2.053 50 0 BEAARN CNc1nc(C)c(-c2cccc3ccnn32)s1 ZINC000426505717 191093960 /nfs/dbraw/zinc/09/39/60/191093960.db2.gz HXBKSHBVOSBQNH-UHFFFAOYSA-N 0 0 244.323 2.230 50 0 BEAARN Cc1ncsc1CN(CCO)c1ccccc1 ZINC000170608776 180315209 /nfs/dbraw/zinc/31/52/09/180315209.db2.gz FIVGDDBQKJFTBZ-UHFFFAOYSA-N 0 0 248.351 2.450 50 0 BEAARN CC(C)CC(=O)N[C@@H](C)c1ccncc1 ZINC000012382089 350346673 /nfs/dbraw/zinc/34/66/73/350346673.db2.gz ZBTKUJGVYOPJKB-JTQLQIEISA-N 0 0 206.289 2.305 50 0 BEAARN CC(C)CC(=O)N[C@H](C)c1ccncc1 ZINC000012382090 350347007 /nfs/dbraw/zinc/34/70/07/350347007.db2.gz ZBTKUJGVYOPJKB-SNVBAGLBSA-N 0 0 206.289 2.305 50 0 BEAARN Cc1ncsc1C(=O)N[C@@H](C)c1cccnc1 ZINC000046741418 180305137 /nfs/dbraw/zinc/30/51/37/180305137.db2.gz NBXSTPHINPEGQG-QMMMGPOBSA-N 0 0 247.323 2.338 50 0 BEAARN Fc1cc2c(cc1Br)OCCO2 ZINC000039233565 350331548 /nfs/dbraw/zinc/33/15/48/350331548.db2.gz UHWXQRYGEVQHGN-UHFFFAOYSA-N 0 0 233.036 2.359 50 0 BEAARN O=C(CC[C@@H]1CCCO1)NCc1cccs1 ZINC000040506198 350371540 /nfs/dbraw/zinc/37/15/40/350371540.db2.gz OHYSXVLEKJNGMK-JTQLQIEISA-N 0 0 239.340 2.324 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000002782035 180333972 /nfs/dbraw/zinc/33/39/72/180333972.db2.gz RQRCWQHWRXZXDQ-JOYOIKCWSA-N 0 0 249.358 2.345 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)c1ccccc1 ZINC000015635783 180335053 /nfs/dbraw/zinc/33/50/53/180335053.db2.gz HNWVAVCLBLTIKP-UHFFFAOYSA-N 0 0 214.268 2.268 50 0 BEAARN O=C1CSCN1c1ccc(Cl)cc1 ZINC000001387377 350393149 /nfs/dbraw/zinc/39/31/49/350393149.db2.gz LDYVOKFMSSZZHH-UHFFFAOYSA-N 0 0 213.689 2.377 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)/C=C/c1ccco1 ZINC000002910486 180341774 /nfs/dbraw/zinc/34/17/74/180341774.db2.gz HFSHUPKJECHOSH-VOTSOKGWSA-N 0 0 245.282 2.282 50 0 BEAARN Cn1cccc1C(=O)N1CCCCCC1 ZINC000032666383 350424141 /nfs/dbraw/zinc/42/41/41/350424141.db2.gz LOWCRJSZILJCPD-UHFFFAOYSA-N 0 0 206.289 2.041 50 0 BEAARN Cc1nn(C)cc1CN(C)[C@H](C)c1ccccn1 ZINC000097113664 180372070 /nfs/dbraw/zinc/37/20/70/180372070.db2.gz FEJWRKGYBVZFGQ-GFCCVEGCSA-N 0 0 244.342 2.317 50 0 BEAARN Cc1nnsc1C(=O)NCC1CCCCC1 ZINC000005239266 180455666 /nfs/dbraw/zinc/45/56/66/180455666.db2.gz CPPCRKJNHYHEQT-UHFFFAOYSA-N 0 0 239.344 2.157 50 0 BEAARN Cc1noc(C)c1C(=O)N[C@H](C)Cc1ccco1 ZINC000044913205 180464963 /nfs/dbraw/zinc/46/49/63/180464963.db2.gz BFLFXERKWXLOHG-MRVPVSSYSA-N 0 0 248.282 2.245 50 0 BEAARN Cc1noc(C)c1CC(=O)NCc1ccccc1 ZINC000022390522 180465639 /nfs/dbraw/zinc/46/56/39/180465639.db2.gz ARBSNIBQFLFZDT-UHFFFAOYSA-N 0 0 244.294 2.150 50 0 BEAARN OC[C@@H]1C=C(c2ccccc2)C[C@@H](CO)C1 ZINC000000366036 187468724 /nfs/dbraw/zinc/46/87/24/187468724.db2.gz TUBSTPQBMRWIND-RYUDHWBXSA-N 0 0 218.296 2.081 50 0 BEAARN C/C(Cl)=C\CN1C(=O)C(=O)c2ccccc21 ZINC000005124280 191121730 /nfs/dbraw/zinc/12/17/30/191121730.db2.gz VBKYEDRQRNFCRC-SOFGYWHQSA-N 0 0 235.670 2.359 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(CC(C)C)on1 ZINC000002498096 350915535 /nfs/dbraw/zinc/91/55/35/350915535.db2.gz BPYWNQNAKLNGQV-SECBINFHSA-N 0 0 224.304 2.401 50 0 BEAARN Cc1oc(C)c(C(=O)Nc2cn[nH]c2)c1C ZINC000035237944 180530902 /nfs/dbraw/zinc/53/09/02/180530902.db2.gz ZZVTVHRHEIDUES-UHFFFAOYSA-N 0 0 219.244 2.180 50 0 BEAARN Cn1ccc(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000000996259 350973656 /nfs/dbraw/zinc/97/36/56/350973656.db2.gz NTHZZDDYURZPJO-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN CC(C)(C)OC(=O)NC12CCC(O)(CC1)CC2 ZINC000222521148 350976634 /nfs/dbraw/zinc/97/66/34/350976634.db2.gz MSWXCWNGGPGPDD-UHFFFAOYSA-N 0 0 241.331 2.349 50 0 BEAARN Cc1occc1[S@](=O)[C@@H](C)c1cnccn1 ZINC000189657087 180544342 /nfs/dbraw/zinc/54/43/42/180544342.db2.gz LUPAJHQDXJBRKD-XXFAHNHDSA-N 0 0 236.296 2.247 50 0 BEAARN Cc1sc2ncnc(NC[C@@H](C)O)c2c1C ZINC000006559725 180560420 /nfs/dbraw/zinc/56/04/20/180560420.db2.gz IFCCDPBUXHNJQQ-ZCFIWIBFSA-N 0 0 237.328 2.101 50 0 BEAARN Cn1cnc(-c2ccc(Cl)cc2)cc1=O ZINC000022605031 191132228 /nfs/dbraw/zinc/13/22/28/191132228.db2.gz WOJYFDKDPMUXEB-UHFFFAOYSA-N 0 0 220.659 2.101 50 0 BEAARN Cc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)on1 ZINC000036397024 358461314 /nfs/dbraw/zinc/46/13/14/358461314.db2.gz BVSDJIYJEIOLEJ-SECBINFHSA-N 0 0 224.304 2.490 50 0 BEAARN CC[C@H](COC)N[C@@H](c1nc(C)no1)C(C)C ZINC000168066831 351278367 /nfs/dbraw/zinc/27/83/67/351278367.db2.gz ZYKBHYVKGYWELB-GHMZBOCLSA-N 0 0 241.335 2.090 50 0 BEAARN COc1ccccc1CNCc1ccns1 ZINC000404468868 351466997 /nfs/dbraw/zinc/46/69/97/351466997.db2.gz VYHDHSCUQOSMEZ-UHFFFAOYSA-N 0 0 234.324 2.442 50 0 BEAARN Clc1cccc2c1cnn2-c1cncnc1 ZINC000065372244 180594237 /nfs/dbraw/zinc/59/42/37/180594237.db2.gz QAXRGBALUOAWOG-UHFFFAOYSA-N 0 0 230.658 2.469 50 0 BEAARN Clc1cnc(NCCc2ccc[nH]2)nc1 ZINC000096496748 180598397 /nfs/dbraw/zinc/59/83/97/180598397.db2.gz FMAIKEDAFHGIPV-UHFFFAOYSA-N 0 0 222.679 2.113 50 0 BEAARN Cn1c2ccccc2n(Cc2ccccc2)c1=O ZINC000000301609 180611478 /nfs/dbraw/zinc/61/14/78/180611478.db2.gz HPGDTHJKFZDCBT-UHFFFAOYSA-N 0 0 238.290 2.388 50 0 BEAARN Clc1ncnc2nc3n(c21)CCCCC3 ZINC000000248185 180603389 /nfs/dbraw/zinc/60/33/89/180603389.db2.gz CZTFMSWINQUHEN-UHFFFAOYSA-N 0 0 222.679 2.206 50 0 BEAARN FC(F)(F)C1CCN(Cc2ncc[nH]2)CC1 ZINC000072802169 351602334 /nfs/dbraw/zinc/60/23/34/351602334.db2.gz NWTGSNJHYKRDAE-UHFFFAOYSA-N 0 0 233.237 2.184 50 0 BEAARN Cc1cccc(COC2CC(CO)C2)c1 ZINC000606302184 351555767 /nfs/dbraw/zinc/55/57/67/351555767.db2.gz GZRHQHMMZRGYPB-UHFFFAOYSA-N 0 0 206.285 2.283 50 0 BEAARN Cn1ccc2cc(C(=O)NC3CC3)ccc21 ZINC000064551708 187497855 /nfs/dbraw/zinc/49/78/55/187497855.db2.gz GMNWHXIMPSJFHK-UHFFFAOYSA-N 0 0 214.268 2.071 50 0 BEAARN CC(=O)NC(C)(C)c1noc(C2=CCCC2)n1 ZINC000096471699 187501731 /nfs/dbraw/zinc/50/17/31/187501731.db2.gz NOJZJNWQDUQRRD-UHFFFAOYSA-N 0 0 235.287 2.008 50 0 BEAARN CNC(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000096430548 187500708 /nfs/dbraw/zinc/50/07/08/187500708.db2.gz PGXCMEGIANWDOO-UHFFFAOYSA-N 0 0 237.274 2.112 50 0 BEAARN Cn1cc(NC(=O)Nc2ccc(F)cc2)cn1 ZINC000043273256 180659241 /nfs/dbraw/zinc/65/92/41/180659241.db2.gz KZRZTTAPMXVRKL-UHFFFAOYSA-N 0 0 234.234 2.203 50 0 BEAARN CCN(CC)Cc1nc(-c2ccco2)no1 ZINC000044072819 352148718 /nfs/dbraw/zinc/14/87/18/352148718.db2.gz XMBUQIREWMFMEH-UHFFFAOYSA-N 0 0 221.260 2.171 50 0 BEAARN CNc1nc(N2CCC[C@@H](C)[C@@H]2C)ncc1F ZINC000725271646 538103323 /nfs/dbraw/zinc/10/33/23/538103323.db2.gz JMUNLMDMRBPFAF-BDAKNGLRSA-N 0 0 238.310 2.282 50 0 BEAARN Cc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000003885155 352385612 /nfs/dbraw/zinc/38/56/12/352385612.db2.gz ZOZBHANUXDXBIN-UHFFFAOYSA-N 0 0 242.200 2.493 50 0 BEAARN CNc1nc(N2[C@@H](C)CCC[C@@H]2C)ncc1F ZINC000725272116 538103889 /nfs/dbraw/zinc/10/38/89/538103889.db2.gz MPRBGQXUWXXCBT-IUCAKERBSA-N 0 0 238.310 2.425 50 0 BEAARN CC(C)(C)c1cc(C(F)(F)F)nc(N)n1 ZINC000000062098 187754745 /nfs/dbraw/zinc/75/47/45/187754745.db2.gz XIUFUZWOHSSRKX-UHFFFAOYSA-N 0 0 219.210 2.375 50 0 BEAARN COc1cccc(NC(=O)C(C)(C)C)c1C=O ZINC000001616557 187755951 /nfs/dbraw/zinc/75/59/51/187755951.db2.gz YXASJBNPUMOCRO-UHFFFAOYSA-N 0 0 235.283 2.492 50 0 BEAARN CC1(CNC(=O)C2CC(F)(F)C2)CCC1 ZINC000335811677 352562025 /nfs/dbraw/zinc/56/20/25/352562025.db2.gz MVAFZPHGJOTKJW-UHFFFAOYSA-N 0 0 217.259 2.338 50 0 BEAARN CN(C)c1ccc(Br)cc1N ZINC000003888708 187757306 /nfs/dbraw/zinc/75/73/06/187757306.db2.gz WUJVGHMWTQMHOQ-UHFFFAOYSA-N 0 0 215.094 2.097 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N1CCC[C@@H](C)C1 ZINC000042377265 187775136 /nfs/dbraw/zinc/77/51/36/187775136.db2.gz HXAONISEVMJLBU-NEPJUHHUSA-N 0 0 227.348 2.306 50 0 BEAARN Cc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000057704177 187783445 /nfs/dbraw/zinc/78/34/45/187783445.db2.gz OXWMFIQXEBLBAG-UHFFFAOYSA-N 0 0 239.340 2.170 50 0 BEAARN CC(=O)Nc1cc(C2OCCCO2)ccc1C ZINC000226794746 187809704 /nfs/dbraw/zinc/80/97/04/187809704.db2.gz AKUFXKVBKHTHPV-UHFFFAOYSA-N 0 0 235.283 2.389 50 0 BEAARN CC(=O)Nc1nnc(-c2ccccc2Cl)o1 ZINC000004275887 187812488 /nfs/dbraw/zinc/81/24/88/187812488.db2.gz BQXKVUMFPWKJHH-UHFFFAOYSA-N 0 0 237.646 2.348 50 0 BEAARN C/C=C(\C)C(=O)OCc1ccc(C)nc1 ZINC000222007601 187831043 /nfs/dbraw/zinc/83/10/43/187831043.db2.gz ILGZZLBULAFERQ-RUDMXATFSA-N 0 0 205.257 2.399 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@H]1CF ZINC000095831053 187838228 /nfs/dbraw/zinc/83/82/28/187838228.db2.gz CFAOXBZSEABMKT-MRVPVSSYSA-N 0 0 203.257 2.355 50 0 BEAARN COc1ccc(C)nc1NC(=O)NC(C)(C)C ZINC000097378610 187839511 /nfs/dbraw/zinc/83/95/11/187839511.db2.gz LVECKFLEDXGQSO-UHFFFAOYSA-N 0 0 237.303 2.319 50 0 BEAARN CC(=O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000334242092 352830580 /nfs/dbraw/zinc/83/05/80/352830580.db2.gz WZTXCXJSRWAZBI-LBPRGKRZSA-N 0 0 225.238 2.243 50 0 BEAARN CC(C)(C)OC(=O)NCC1CCC(O)CC1 ZINC000012648487 352921136 /nfs/dbraw/zinc/92/11/36/352921136.db2.gz XWYVCQSOGJIMPK-UHFFFAOYSA-N 0 0 229.320 2.062 50 0 BEAARN CCOc1cc(Br)ccc1CCO ZINC000143137333 323944173 /nfs/dbraw/zinc/94/41/73/323944173.db2.gz MDGQANLLBAZNNV-UHFFFAOYSA-N 0 0 245.116 2.383 50 0 BEAARN CCCCCN1CC(=O)N[C@H]1c1cccs1 ZINC000096499998 168695365 /nfs/dbraw/zinc/69/53/65/168695365.db2.gz VRMVLAJVCULVJC-GFCCVEGCSA-N 0 0 238.356 2.369 50 0 BEAARN CCCCCNC(=O)N1CCCC[C@H]1CCO ZINC000095461049 168706890 /nfs/dbraw/zinc/70/68/90/168706890.db2.gz CCPPMWMHCXZCDV-LBPRGKRZSA-N 0 0 242.363 2.123 50 0 BEAARN CCCC1(CNC(=O)C[C@H]2CCOC2)CCC1 ZINC000344520924 353149603 /nfs/dbraw/zinc/14/96/03/353149603.db2.gz QVTSNKQVPVUFNV-GFCCVEGCSA-N 0 0 239.359 2.500 50 0 BEAARN COc1cc(Br)cc(OC)c1 ZINC000012957183 188105381 /nfs/dbraw/zinc/10/53/81/188105381.db2.gz KRWRFIMBWRVMKE-UHFFFAOYSA-N 0 0 217.062 2.466 50 0 BEAARN CCCC[C@H](CC)COCCOCCO ZINC000004977897 363206640 /nfs/dbraw/zinc/20/66/40/363206640.db2.gz OADIZUFHUPTFAG-LBPRGKRZSA-N 0 0 218.337 2.228 50 0 BEAARN CC(=O)N(C)c1ccc(NC(=O)C2CC2)cc1 ZINC000000142441 188098427 /nfs/dbraw/zinc/09/84/27/188098427.db2.gz RDZMJFLKKOERAF-UHFFFAOYSA-N 0 0 232.283 2.018 50 0 BEAARN CC(=O)CC(=O)Nc1ccccc1Cl ZINC000000075388 188098554 /nfs/dbraw/zinc/09/85/54/188098554.db2.gz BFVHBHKMLIBQNN-UHFFFAOYSA-N 0 0 211.648 2.258 50 0 BEAARN CC(C)(C)[C@]1(C)O[C@@](O)(C(F)(F)F)CC1=O ZINC000000078838 188098608 /nfs/dbraw/zinc/09/86/08/188098608.db2.gz QSVUWDXQLMDNME-RKDXNWHRSA-N 0 0 240.221 2.032 50 0 BEAARN CC(C)(C)c1ccc(-c2nn[nH]n2)cc1 ZINC000000118683 188098730 /nfs/dbraw/zinc/09/87/30/188098730.db2.gz QHSLNQKCYGFLER-UHFFFAOYSA-N 0 0 202.261 2.164 50 0 BEAARN CC(=O)Oc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000000049681 188098840 /nfs/dbraw/zinc/09/88/40/188098840.db2.gz RJIOUFWJNQYAGZ-UHFFFAOYSA-N 0 0 235.283 2.140 50 0 BEAARN NC(=O)c1cccn1Cc1ccc(Cl)cc1 ZINC000000259637 188099933 /nfs/dbraw/zinc/09/99/33/188099933.db2.gz SRZQWOYUOXGORH-UHFFFAOYSA-N 0 0 234.686 2.289 50 0 BEAARN Cc1ccc(NC(=S)NC2CC2)cc1 ZINC000000454874 188099944 /nfs/dbraw/zinc/09/99/44/188099944.db2.gz XZGAJTVSMALKMX-UHFFFAOYSA-N 0 0 206.314 2.444 50 0 BEAARN Ic1ccccc1 ZINC000001699878 188100235 /nfs/dbraw/zinc/10/02/35/188100235.db2.gz SNHMUERNLJLMHN-UHFFFAOYSA-N 0 0 204.010 2.291 50 0 in-vivo BEAARN COc1ccc(Cl)cc1NC(N)=S ZINC000006018501 188102917 /nfs/dbraw/zinc/10/29/17/188102917.db2.gz SEMNHAXMORNHNR-UHFFFAOYSA-N 0 0 216.693 2.004 50 0 BEAARN CCOC(=O)/C=C/c1ccc(NC(C)=O)cc1 ZINC000012623994 188104687 /nfs/dbraw/zinc/10/46/87/188104687.db2.gz CDEIESVXIPSGGU-RMKNXTFCSA-N 0 0 233.267 2.221 50 0 BEAARN S=C1N=NC(c2ccc(Cl)cc2)N1 ZINC000018093756 188106845 /nfs/dbraw/zinc/10/68/45/188106845.db2.gz NHEHIODVWGKDFV-UHFFFAOYSA-N 0 0 211.677 2.414 50 0 BEAARN CC(=O)C[C@H]1CCN(c2ccccc2)N1C(C)=O ZINC000018193442 188107250 /nfs/dbraw/zinc/10/72/50/188107250.db2.gz XBFCILSNIACEGD-CQSZACIVSA-N 0 0 246.310 2.008 50 0 BEAARN CC(=O)[C@@H](C)Sc1nnc(-c2ccc[nH]2)o1 ZINC000018366557 188107278 /nfs/dbraw/zinc/10/72/78/188107278.db2.gz RLLVHNPZLFZCTN-SSDOTTSWSA-N 0 0 237.284 2.134 50 0 BEAARN CC(C)[C@H](C/C=C/Cl)C(=O)N(C)C ZINC000026522489 188110464 /nfs/dbraw/zinc/11/04/64/188110464.db2.gz MFPMAEZQAUDONN-IWGCBNPKSA-N 0 0 203.713 2.489 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)C2CC2)c1C ZINC000036567598 188112905 /nfs/dbraw/zinc/11/29/05/188112905.db2.gz UMXUPYHMFKVGFQ-UHFFFAOYSA-N 0 0 232.283 2.302 50 0 BEAARN NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000037637770 188113820 /nfs/dbraw/zinc/11/38/20/188113820.db2.gz BADNMTZPLBXRAH-UHFFFAOYSA-N 0 0 243.237 2.156 50 0 BEAARN CC(C)(C)[C@@H]1CCCN(S(C)(=O)=O)CC1 ZINC000071909488 188113984 /nfs/dbraw/zinc/11/39/84/188113984.db2.gz RIGMOVPGWPEHRH-SNVBAGLBSA-N 0 0 233.377 2.094 50 0 BEAARN Cc1ncsc1C(=O)N1CCCC[C@H]1C ZINC000040530014 188118145 /nfs/dbraw/zinc/11/81/45/188118145.db2.gz YWRNHBFWWBSTNH-MRVPVSSYSA-N 0 0 224.329 2.466 50 0 BEAARN Cc1ncsc1C(=O)N1CCCCC1 ZINC000040529095 188118572 /nfs/dbraw/zinc/11/85/72/188118572.db2.gz RBKHOZFBQJKGBH-UHFFFAOYSA-N 0 0 210.302 2.078 50 0 BEAARN CC(=O)N1CCc2cc3cccc(C)c3nc21 ZINC000015841975 188105780 /nfs/dbraw/zinc/10/57/80/188105780.db2.gz CIIUSBPTIRYDTO-UHFFFAOYSA-N 0 0 226.279 2.452 50 0 BEAARN Cc1ccc(C(=O)NCc2ccc(C)nc2)o1 ZINC000047557109 188124471 /nfs/dbraw/zinc/12/44/71/188124471.db2.gz WEPBBUGKIHEXIM-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN CC[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000057467145 188127329 /nfs/dbraw/zinc/12/73/29/188127329.db2.gz JUSKDLRMHAPHCU-CYBMUJFWSA-N 0 0 217.312 2.488 50 0 BEAARN CCOC(=O)[C@@H](C)NC(=O)C[C@H](C)CC(C)C ZINC000067910637 188129207 /nfs/dbraw/zinc/12/92/07/188129207.db2.gz VRFPFDNXSDOUIR-GHMZBOCLSA-N 0 0 243.347 2.127 50 0 BEAARN CCCCc1n[nH]c(=O)n1Cc1cccc(F)c1 ZINC000065470135 188129252 /nfs/dbraw/zinc/12/92/52/188129252.db2.gz AHRCYWAASDYAAL-UHFFFAOYSA-N 0 0 249.289 2.101 50 0 BEAARN CC(=O)N1CCCC[C@@H]1c1cncc(Cl)n1 ZINC000072344255 188131866 /nfs/dbraw/zinc/13/18/66/188131866.db2.gz ZPPLJNZKJNTQBJ-SNVBAGLBSA-N 0 0 239.706 2.204 50 0 BEAARN O=C(c1ccccn1)N1CC[C@H]2CCCC[C@H]21 ZINC000089878933 538110662 /nfs/dbraw/zinc/11/06/62/538110662.db2.gz XGWAGNPPXBGYFK-DGCLKSJQSA-N 0 0 230.311 2.486 50 0 BEAARN CCOC(=O)C1=NNC[C@H]1c1ccc(OC)cc1 ZINC000085389850 188143326 /nfs/dbraw/zinc/14/33/26/188143326.db2.gz TWEQXAIFXJNBKL-NWDGAFQWSA-N 0 0 248.282 2.176 50 0 BEAARN CC(C)(C)n1nnc2ccc(F)c(F)c21 ZINC000085477215 188143652 /nfs/dbraw/zinc/14/36/52/188143652.db2.gz XELWCUAOAZXRPO-UHFFFAOYSA-N 0 0 211.215 2.465 50 0 BEAARN C/C=C/C=C\C(=O)N(CCOC)Cc1ccco1 ZINC000103416330 188150930 /nfs/dbraw/zinc/15/09/30/188150930.db2.gz WXUUSQCFAGDNKA-LHOHZTISSA-N 0 0 249.310 2.387 50 0 BEAARN Clc1nc2nc3n(c2c(Cl)n1)CCS3 ZINC000002027178 188156552 /nfs/dbraw/zinc/15/65/52/188156552.db2.gz SICJVAZXORIALH-UHFFFAOYSA-N 0 0 247.110 2.239 50 0 BEAARN FC(F)(F)c1ccc(C2=NCCO2)cc1 ZINC000000074545 180892531 /nfs/dbraw/zinc/89/25/31/180892531.db2.gz CWIAOSJDTXVSSA-UHFFFAOYSA-N 0 0 215.174 2.482 50 0 BEAARN CC(=O)[C@H](C)n1c(=O)oc2ccc(Cl)cc21 ZINC000000206311 188158110 /nfs/dbraw/zinc/15/81/10/188158110.db2.gz UABIXPPHGAVIHG-LURJTMIESA-N 0 0 239.658 2.398 50 0 BEAARN CC(=O)c1c(C)n(C)c2ccc(O)cc21 ZINC000000198731 188158285 /nfs/dbraw/zinc/15/82/85/188158285.db2.gz KBKVVYIQKBYAGD-UHFFFAOYSA-N 0 0 203.241 2.395 50 0 BEAARN C[C@H]1OC(=O)N2c3ccc(O)cc3CC[C@H]12 ZINC000148618455 188159706 /nfs/dbraw/zinc/15/97/06/188159706.db2.gz PWTSSEKEPVZNIO-GMSGAONNSA-N 0 0 219.240 2.052 50 0 BEAARN CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@H](C)OC2 ZINC000004025904 188160757 /nfs/dbraw/zinc/16/07/57/188160757.db2.gz UQRLRNHDOCTSLK-UHTWSYAYSA-N 0 0 224.300 2.311 50 0 biogenic BEAARN CC(C)Cc1nnc(NC(=O)C2CCC2)s1 ZINC000008156072 188161498 /nfs/dbraw/zinc/16/14/98/188161498.db2.gz DVWYFXDCGGAPBF-UHFFFAOYSA-N 0 0 239.344 2.475 50 0 BEAARN CC(C)[C@@H]1C[C@@]([NH3+])(C(=O)[O-])c2ccccc21 ZINC000170091527 188161561 /nfs/dbraw/zinc/16/15/61/188161561.db2.gz GKXUZTINRJOQLC-GWCFXTLKSA-N 0 0 219.284 2.069 50 0 BEAARN CSc1ncccc1C(=O)NC(C)(C)C ZINC000008316020 188161583 /nfs/dbraw/zinc/16/15/83/188161583.db2.gz HYWCDCAMCWXTOF-UHFFFAOYSA-N 0 0 224.329 2.332 50 0 BEAARN O=C(CC1CCCC1)NCC1CCOCC1 ZINC000169750764 188161702 /nfs/dbraw/zinc/16/17/02/188161702.db2.gz XPMOCCGRSQYQMR-UHFFFAOYSA-N 0 0 225.332 2.110 50 0 BEAARN FC(F)(F)c1cccc(Cn2ccnn2)c1 ZINC000128024225 180894154 /nfs/dbraw/zinc/89/41/54/180894154.db2.gz KBUVOJOZOPPRFA-UHFFFAOYSA-N 0 0 227.189 2.345 50 0 BEAARN CO[C@@H]1CN=C(Nc2ccccc2)S1 ZINC000147997732 538111680 /nfs/dbraw/zinc/11/16/80/538111680.db2.gz HPMPEHVQMGKPGC-VIFPVBQESA-N 0 0 208.286 2.174 50 0 BEAARN FC(F)(F)c1ccccc1CNc1nc[nH]n1 ZINC000004999788 180895579 /nfs/dbraw/zinc/89/55/79/180895579.db2.gz AUBGIEZQWJMDLZ-UHFFFAOYSA-N 0 0 242.204 2.436 50 0 BEAARN CC(=O)CCCC(=O)Nc1cnccc1C ZINC000096012390 188148166 /nfs/dbraw/zinc/14/81/66/188148166.db2.gz MXEWYKRDNYHIES-UHFFFAOYSA-N 0 0 220.272 2.088 50 0 BEAARN COc1cc(Br)cnc1C(C)=O ZINC000095934612 188148264 /nfs/dbraw/zinc/14/82/64/188148264.db2.gz YNEBOMXZZRMZEK-UHFFFAOYSA-N 0 0 230.061 2.055 50 0 BEAARN C1=CC[C@@H](c2nc([C@@H]3CCOC3)no2)CC1 ZINC000098019210 188148441 /nfs/dbraw/zinc/14/84/41/188148441.db2.gz MZFGEGLAEUDSDJ-NXEZZACHSA-N 0 0 220.272 2.397 50 0 BEAARN CCC(=O)Nc1ccc(O)c(-c2nc(C)no2)c1 ZINC000097114108 188148460 /nfs/dbraw/zinc/14/84/60/188148460.db2.gz IFZPBCDSYMDXJT-UHFFFAOYSA-N 0 0 247.254 2.099 50 0 BEAARN CO[C@@H]1CCCCC[C@@H]1NC(=O)C(C)(C)C ZINC000098018997 188148515 /nfs/dbraw/zinc/14/85/15/188148515.db2.gz MOGVSUMPPDKTOI-WDEREUQCSA-N 0 0 227.348 2.496 50 0 BEAARN Cn1cnc(CNCc2ccc(Cl)cc2)c1 ZINC000309426178 538112773 /nfs/dbraw/zinc/11/27/73/538112773.db2.gz IPTHKDBROOLBSO-UHFFFAOYSA-N 0 0 235.718 2.363 50 0 BEAARN Cc1nc(C(=O)Nc2nccc(C)n2)c(C)s1 ZINC000194659567 188175261 /nfs/dbraw/zinc/17/52/61/188175261.db2.gz KTWDLZGXQQMUIV-UHFFFAOYSA-N 0 0 248.311 2.111 50 0 BEAARN Cc1c(Br)c(N)nc2cccnc12 ZINC000217036695 188179611 /nfs/dbraw/zinc/17/96/11/188179611.db2.gz JAHQFOXAJYDJNA-UHFFFAOYSA-N 0 0 238.088 2.283 50 0 BEAARN CCn1ccc(CN(C)C(=O)CC2CC2)c1 ZINC000225388146 188181907 /nfs/dbraw/zinc/18/19/07/188181907.db2.gz RLKXUQVVZIZDIB-UHFFFAOYSA-N 0 0 220.316 2.267 50 0 BEAARN Cc1ccsc1CNC(=O)NC1CC1 ZINC000045841324 353244450 /nfs/dbraw/zinc/24/44/50/353244450.db2.gz FEOWKXRNEMHDGO-UHFFFAOYSA-N 0 0 210.302 2.018 50 0 BEAARN CC[C@H]1CCN1C(=O)c1ccc(O)cc1F ZINC000293910296 188213179 /nfs/dbraw/zinc/21/31/79/188213179.db2.gz GILKYXHHLNJKKX-QMMMGPOBSA-N 0 0 223.247 2.156 50 0 BEAARN CO[C@H]1CCCCC[C@@H]1NC(=O)C(C)(C)C ZINC000098018995 538114814 /nfs/dbraw/zinc/11/48/14/538114814.db2.gz MOGVSUMPPDKTOI-QWRGUYRKSA-N 0 0 227.348 2.496 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000084686971 538114849 /nfs/dbraw/zinc/11/48/49/538114849.db2.gz ZUUWTACKWLYTRM-CRCLSJGQSA-N 0 0 233.193 2.023 50 0 BEAARN CCN(C)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000098010566 538114876 /nfs/dbraw/zinc/11/48/76/538114876.db2.gz LRLUUFCLDQXBLZ-UHFFFAOYSA-N 0 0 249.314 2.153 50 0 BEAARN CC(=O)N[C@H]1c2ccccc2-c2ncccc21 ZINC000001387096 353333988 /nfs/dbraw/zinc/33/39/88/353333988.db2.gz UMYMSTJQBUWJAN-AWEZNQCLSA-N 0 0 224.263 2.288 50 0 BEAARN COCc1ccc(CNC(=O)C2CCC2)cc1 ZINC000046293629 353601800 /nfs/dbraw/zinc/60/18/00/353601800.db2.gz OWEOGXYHUCXIPI-UHFFFAOYSA-N 0 0 233.311 2.249 50 0 BEAARN CC(=O)O[C@@H]1CCc2ccccc2[C@@H]1OC(C)=O ZINC000004667594 188457918 /nfs/dbraw/zinc/45/79/18/188457918.db2.gz PWDTYDXUIYVSGG-KGLIPLIRSA-N 0 0 248.278 2.169 50 0 BEAARN C[C@@H]1CC(=O)C[C@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000252426407 363239954 /nfs/dbraw/zinc/23/99/54/363239954.db2.gz ANOJDUHFBKNOAI-WLTAIBSBSA-N 0 0 230.263 2.304 50 0 BEAARN Fc1cc(F)cc(Cn2cc[nH]c2=S)c1 ZINC000231447879 353612278 /nfs/dbraw/zinc/61/22/78/353612278.db2.gz ZXHMGTJTPTWNGX-UHFFFAOYSA-N 0 0 226.251 2.136 50 0 BEAARN CCC(=O)Nc1ccc(OC)cc1OC ZINC000000078775 188452565 /nfs/dbraw/zinc/45/25/65/188452565.db2.gz VOGDBGVMOLOYLY-UHFFFAOYSA-N 0 0 209.245 2.052 50 0 BEAARN Cc1ccc(CO)cc1Br ZINC000039347133 188473932 /nfs/dbraw/zinc/47/39/32/188473932.db2.gz ZRBDUKUJADUIEO-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN CCN1C(=O)O[C@](C)(Cc2ccccc2)[C@@]1(C)O ZINC000001421329 353694549 /nfs/dbraw/zinc/69/45/49/353694549.db2.gz FONYFFBMSQCTHB-ZIAGYGMSSA-N 0 0 249.310 2.168 50 0 BEAARN COCc1cc(NC2CCCC2)n2nccc2n1 ZINC000072430449 188490348 /nfs/dbraw/zinc/49/03/48/188490348.db2.gz WQJWBHXZEYBLCW-UHFFFAOYSA-N 0 0 246.314 2.230 50 0 BEAARN CCn1nc(CC(C)C)cc1-c1nc(C)no1 ZINC000096153401 188500530 /nfs/dbraw/zinc/50/05/30/188500530.db2.gz GXIXKXUESAGZBW-UHFFFAOYSA-N 0 0 234.303 2.460 50 0 BEAARN Fc1ccccc1COn1nnc2ccccc21 ZINC000000480236 181013004 /nfs/dbraw/zinc/01/30/04/181013004.db2.gz BUNIUUOQFTZZEN-UHFFFAOYSA-N 0 0 243.241 2.199 50 0 BEAARN Fc1cnc2[nH]c(-c3ccccn3)nc2c1 ZINC000071257669 181019915 /nfs/dbraw/zinc/01/99/15/181019915.db2.gz NTYMLIVNXAQSOF-UHFFFAOYSA-N 0 0 214.203 2.159 50 0 BEAARN Fc1cncc(NC[C@H]2CCCOC2)c1 ZINC000300868841 181021270 /nfs/dbraw/zinc/02/12/70/181021270.db2.gz JRZILNSLMLFOAU-SECBINFHSA-N 0 0 210.252 2.059 50 0 BEAARN Fc1cncc(CSc2ncc[nH]2)c1 ZINC000334291907 181021271 /nfs/dbraw/zinc/02/12/71/181021271.db2.gz DZIZNHDCVXZSME-UHFFFAOYSA-N 0 0 209.249 2.236 50 0 BEAARN CC(C)=CC(=O)Nc1ccc2c(c1)OCO2 ZINC000000145621 188516187 /nfs/dbraw/zinc/51/61/87/188516187.db2.gz DWAVAODCPMWWIS-UHFFFAOYSA-N 0 0 219.240 2.320 50 0 BEAARN O=c1[nH]ncc(NC2CCCCC2)c1Cl ZINC000000138611 188516523 /nfs/dbraw/zinc/51/65/23/188516523.db2.gz NZCMCIXEVFXXOS-UHFFFAOYSA-N 0 0 227.695 2.168 50 0 BEAARN CC1(F)CC(NC(=O)c2cccc(O)c2)C1 ZINC000334524066 353894722 /nfs/dbraw/zinc/89/47/22/353894722.db2.gz CIXKMSOVLVMXNI-UHFFFAOYSA-N 0 0 223.247 2.013 50 0 BEAARN O=C(Nc1cccnc1)[C@H]1CCC(F)(F)C1 ZINC000334536254 353922858 /nfs/dbraw/zinc/92/28/58/353922858.db2.gz SUBLWFQXOMFTFM-QMMMGPOBSA-N 0 0 226.226 2.456 50 0 BEAARN O=C(NC[C@@H]1CCCO1)Nc1ccc(F)cc1 ZINC000013022318 188523611 /nfs/dbraw/zinc/52/36/11/188523611.db2.gz BQLWSXADBCNVCO-NSHDSACASA-N 0 0 238.262 2.126 50 0 BEAARN N#CN(C[C@@H]1CCOC1)c1ccccc1F ZINC000336375471 181052695 /nfs/dbraw/zinc/05/26/95/181052695.db2.gz CQGCPIKJXWBYOP-JTQLQIEISA-N 0 0 220.247 2.150 50 0 BEAARN Cc1ccc(CCC(=O)N2CCO[C@H](C)C2)cc1 ZINC000032865187 354555461 /nfs/dbraw/zinc/55/54/61/354555461.db2.gz UVKPGQWNSQRQGE-CYBMUJFWSA-N 0 0 247.338 2.175 50 0 BEAARN Cc1ccc(CCC(=O)N2CCOCC2)c(C)c1 ZINC000032863626 354555486 /nfs/dbraw/zinc/55/54/86/354555486.db2.gz ZCTRIZOHDCNDRR-UHFFFAOYSA-N 0 0 247.338 2.095 50 0 BEAARN O=C(c1ccoc1)N1CCOc2ccccc21 ZINC000033168060 354596941 /nfs/dbraw/zinc/59/69/41/354596941.db2.gz GRNQYNJDCJAGMX-UHFFFAOYSA-N 0 0 229.235 2.319 50 0 BEAARN CCc1cc2c(ncnc2NCCCO)s1 ZINC000002158403 363439717 /nfs/dbraw/zinc/43/97/17/363439717.db2.gz PQKOTNOMXSWDHR-UHFFFAOYSA-N 0 0 237.328 2.048 50 0 BEAARN CC(C)=C(F)c1nc(-c2nccn2C)no1 ZINC000335178897 354964742 /nfs/dbraw/zinc/96/47/42/354964742.db2.gz AXNBLHDGOAIXDO-UHFFFAOYSA-N 0 0 222.223 2.191 50 0 BEAARN Cc1ccc(C(=O)N2CC(CF)C2)cc1 ZINC000335221730 355061775 /nfs/dbraw/zinc/06/17/75/355061775.db2.gz OKEBBNNDNSYNDO-UHFFFAOYSA-N 0 0 207.248 2.037 50 0 BEAARN Cc1ccoc1CNC(=O)[C@@]1(C)CC1(F)F ZINC000335601026 355321951 /nfs/dbraw/zinc/32/19/51/355321951.db2.gz RSFCZDIFOYMHJQ-SNVBAGLBSA-N 0 0 229.226 2.250 50 0 BEAARN CCC[C@]1(C)NC(=O)N(Cc2ccccc2)C1=O ZINC000047203107 355362384 /nfs/dbraw/zinc/36/23/84/355362384.db2.gz LRGCEQLBESMXDP-AWEZNQCLSA-N 0 0 246.310 2.297 50 0 BEAARN CC(C)(F)c1nc(-c2ccsn2)no1 ZINC000297311629 191646882 /nfs/dbraw/zinc/64/68/82/191646882.db2.gz MWMXSSUXWAJIEE-UHFFFAOYSA-N 0 0 213.237 2.398 50 0 BEAARN COc1cc(-c2ccccc2C)nc(N)n1 ZINC000032519501 355589085 /nfs/dbraw/zinc/58/90/85/355589085.db2.gz VIJOYWRGBNGYGV-UHFFFAOYSA-N 0 0 215.256 2.043 50 0 BEAARN NC(=O)CCN1CC(F)(c2ccccc2)C1 ZINC000328586842 181201726 /nfs/dbraw/zinc/20/17/26/181201726.db2.gz VBYVIWQJXDZCAS-UHFFFAOYSA-N 0 0 222.263 2.092 50 0 BEAARN CCS(=O)(=O)Nc1ccc(Cl)cc1F ZINC000006048791 355734157 /nfs/dbraw/zinc/73/41/57/355734157.db2.gz OGPLWFYEABZFJR-UHFFFAOYSA-N 0 0 237.683 2.241 50 0 BEAARN Cc1ccc(CNC(=O)CCC(C)C)cn1 ZINC000047556797 355766514 /nfs/dbraw/zinc/76/65/14/355766514.db2.gz SAZSUZIFJGDRCX-UHFFFAOYSA-N 0 0 220.316 2.442 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000001456454 355768353 /nfs/dbraw/zinc/76/83/53/355768353.db2.gz VDURFWVFJPZWIE-LBPRGKRZSA-N 0 0 218.300 2.486 50 0 BEAARN NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000064554911 181215187 /nfs/dbraw/zinc/21/51/87/181215187.db2.gz RPPKAHNJJHJERD-UHFFFAOYSA-N 0 0 229.201 2.222 50 0 BEAARN NC(=O)C12CCCC(Br)(CCC1)C2 ZINC000003681355 181215846 /nfs/dbraw/zinc/21/58/46/181215846.db2.gz RVAVOJYNTJPTLH-UHFFFAOYSA-N 0 0 246.148 2.350 50 0 BEAARN Nc1ncc(-c2cc3ccccc3oc2=O)s1 ZINC000001508278 355921852 /nfs/dbraw/zinc/92/18/52/355921852.db2.gz AISFDDFSTIIUSV-UHFFFAOYSA-N 0 0 244.275 2.499 50 0 aggregator BEAARN NC(=O)CCCc1ccc(Br)cc1 ZINC000000394907 181223304 /nfs/dbraw/zinc/22/33/04/181223304.db2.gz WPRAGPQEPJRYLH-UHFFFAOYSA-N 0 0 242.116 2.257 50 0 BEAARN NC(=O)CCSc1ccc(Cl)cc1 ZINC000000078165 181226186 /nfs/dbraw/zinc/22/61/86/181226186.db2.gz IRUKISZYLHKTAR-UHFFFAOYSA-N 0 0 215.705 2.308 50 0 BEAARN O=C(C[C@H]1CCOC1)NCCCC1CCCC1 ZINC000351526420 356009627 /nfs/dbraw/zinc/00/96/27/356009627.db2.gz WRCCSNUGHWBWJM-CYBMUJFWSA-N 0 0 239.359 2.500 50 0 BEAARN NC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000008981504 181250170 /nfs/dbraw/zinc/25/01/70/181250170.db2.gz GFAZTOFKUDWLFB-UHFFFAOYSA-N 0 0 243.310 2.426 50 0 BEAARN NC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012505281 181250436 /nfs/dbraw/zinc/25/04/36/181250436.db2.gz WMBRGYRLCPRDHR-UHFFFAOYSA-N 0 0 241.294 2.336 50 0 BEAARN Fc1cncc(COc2ccncc2)c1 ZINC000336133980 134095513 /nfs/dbraw/zinc/09/55/13/134095513.db2.gz AVLBDWMKXHNNOT-UHFFFAOYSA-N 0 0 204.204 2.195 50 0 BEAARN NC(=O)[C@@H](Sc1ccccn1)c1ccccc1 ZINC000011334995 181266424 /nfs/dbraw/zinc/26/64/24/181266424.db2.gz RCASSAXPHBGWPA-LBPRGKRZSA-N 0 0 244.319 2.400 50 0 BEAARN NC(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000033433822 181266693 /nfs/dbraw/zinc/26/66/93/181266693.db2.gz QEBZGDYGMMSNRY-ZDUSSCGKSA-N 0 0 227.263 2.292 50 0 BEAARN O[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000037464671 356368827 /nfs/dbraw/zinc/36/88/27/356368827.db2.gz WNVRHCQWOSHKFA-LBPRGKRZSA-N 0 0 203.216 2.302 50 0 BEAARN O=S1CC23CC=CCC2(C1)CC=CC3 ZINC000005133337 356363491 /nfs/dbraw/zinc/36/34/91/356363491.db2.gz JUNZCFWQQYCSNA-UHFFFAOYSA-N 0 0 208.326 2.422 50 0 BEAARN NC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000000150428 181265941 /nfs/dbraw/zinc/26/59/41/181265941.db2.gz JSUQXHOMGSWZBI-LBPRGKRZSA-N 0 0 203.285 2.446 50 0 BEAARN O=S1(=O)C[C@]23CC=CC[C@@]2(C1)CCCC3 ZINC000045027665 356372023 /nfs/dbraw/zinc/37/20/23/356372023.db2.gz RYWQNFGJQPETFR-TXEJJXNPSA-N 0 0 226.341 2.312 50 0 BEAARN CC(=O)C1[C@@H]2C=C[C@@H]3C(C(C)=O)[C@H]4C=C[C@@H]1[C@H]4[C@@H]23 ZINC000248382140 356384747 /nfs/dbraw/zinc/38/47/47/356384747.db2.gz WAFUAESYRJBJEJ-PMOMHZOLSA-N 0 0 242.318 2.261 50 0 BEAARN O=c1[n-]c(-c2cnn3ccccc23)ncc1Cl ZINC000118698054 356414462 /nfs/dbraw/zinc/41/44/62/356414462.db2.gz DSATYEXTACNPQW-UHFFFAOYSA-N 0 0 246.657 2.150 50 0 BEAARN Cc1ccsc1C(=O)Nc1cn[nH]c1 ZINC000035237529 356423937 /nfs/dbraw/zinc/42/39/37/356423937.db2.gz GIBZSCZZSBGPGN-UHFFFAOYSA-N 0 0 207.258 2.032 50 0 BEAARN NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000089873179 181274384 /nfs/dbraw/zinc/27/43/84/181274384.db2.gz ZPEWUQAIHOXBNF-QWHCGFSZSA-N 0 0 211.264 2.429 50 0 BEAARN NC(=O)[C@H](NCc1ccsc1)c1ccccc1 ZINC000056153660 181278662 /nfs/dbraw/zinc/27/86/62/181278662.db2.gz AEPDAALTVRSKHS-GFCCVEGCSA-N 0 0 246.335 2.064 50 0 BEAARN C[C@H](c1ccc(C(N)=O)cc1)C(F)(F)F ZINC000167956317 356486960 /nfs/dbraw/zinc/48/69/60/356486960.db2.gz KZCSWZNEJNDWHS-ZCFIWIBFSA-N 0 0 217.190 2.451 50 0 BEAARN NC(=O)[C@H]1CC12c1ccccc1-c1ccccc12 ZINC000000191548 181279324 /nfs/dbraw/zinc/27/93/24/181279324.db2.gz MPMDIZDEKJRYPZ-CQSZACIVSA-N 0 0 235.286 2.458 50 0 BEAARN NC(=O)[C@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000026157982 181277905 /nfs/dbraw/zinc/27/79/05/181277905.db2.gz FIUSXXYCERDGMJ-CYBMUJFWSA-N 0 0 244.269 2.464 50 0 BEAARN NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000098095715 181286096 /nfs/dbraw/zinc/28/60/96/181286096.db2.gz CWKGBEFRQOIUPK-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN C[C@@H]1CN(C)N[C@H](c2ccccc2)S1 ZINC000039279376 491095865 /nfs/dbraw/zinc/09/58/65/491095865.db2.gz RGECSILYOSYVJM-KOLCDFICSA-N 0 0 208.330 2.257 50 0 BEAARN Cc1ccc(CNC(=O)c2ccncc2)cc1F ZINC000012987290 363488884 /nfs/dbraw/zinc/48/88/84/363488884.db2.gz RSGDVPHDOGPDMU-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN O=[N+]([O-])c1ccc(NN=Cc2cccnc2)cc1 ZINC000015924513 356596577 /nfs/dbraw/zinc/59/65/77/356596577.db2.gz TUBWURJHWJLTBN-UHFFFAOYSA-N 0 0 242.238 2.436 50 0 BEAARN NC(=O)c1cc(Cc2ccccc2)sc1N ZINC000002507046 181288215 /nfs/dbraw/zinc/28/82/15/181288215.db2.gz MLMZWPGWTMIMON-UHFFFAOYSA-N 0 0 232.308 2.020 50 0 BEAARN NC(=O)c1cc(C(F)(F)F)nc2ccccc21 ZINC000066322690 181288441 /nfs/dbraw/zinc/28/84/41/181288441.db2.gz BSKYGEFKOWTHDJ-UHFFFAOYSA-N 0 0 240.184 2.353 50 0 BEAARN COC(=O)[C@@H]1O[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000084324278 538530783 /nfs/dbraw/zinc/53/07/83/538530783.db2.gz XTLCHVQRGWXTST-VDDIYKPWSA-N 0 0 212.289 2.143 50 0 BEAARN COC(=O)[C@@H]1O[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000084324279 538531120 /nfs/dbraw/zinc/53/11/20/538531120.db2.gz XTLCHVQRGWXTST-HOTUBEGUSA-N 0 0 212.289 2.143 50 0 BEAARN Clc1ccc(OC[C@@H]2CCCO2)nc1 ZINC000085316381 538537153 /nfs/dbraw/zinc/53/71/53/538537153.db2.gz ZNSPWNBJJDTWFX-VIFPVBQESA-N 0 0 213.664 2.293 50 0 BEAARN COC(=O)[C@H]1O[C@]1(C)c1ccccc1Cl ZINC000085657576 538545191 /nfs/dbraw/zinc/54/51/91/538545191.db2.gz JOIFRFLAWONKLV-MWLCHTKSSA-N 0 0 226.659 2.127 50 0 BEAARN Cc1ccc([C@@H]2NC(=O)c3cccnc3N2)s1 ZINC000089656490 538582063 /nfs/dbraw/zinc/58/20/63/538582063.db2.gz KYXMCJMXGQLMJW-NSHDSACASA-N 0 0 245.307 2.306 50 0 BEAARN Cc1cc(N[C@@H](C)CO)nc2ccccc12 ZINC000089600772 538582393 /nfs/dbraw/zinc/58/23/93/538582393.db2.gz RUJXIYLYASMXCR-JTQLQIEISA-N 0 0 216.284 2.336 50 0 BEAARN O=C(c1cccnc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089793921 538583513 /nfs/dbraw/zinc/58/35/13/538583513.db2.gz MEVOERMGEUBWFW-BETUJISGSA-N 0 0 228.295 2.120 50 0 BEAARN O=C(c1ccccn1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089878916 538584234 /nfs/dbraw/zinc/58/42/34/538584234.db2.gz BMLDGTMWPQYVEM-RYUDHWBXSA-N 0 0 228.295 2.120 50 0 BEAARN O=C1c2ccsc2CN2CCCC[C@@H]12 ZINC000089885343 538586888 /nfs/dbraw/zinc/58/68/88/538586888.db2.gz FFGYTSQUYVDFSD-VIFPVBQESA-N 0 0 207.298 2.299 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)N2CCCCCCC2)O1 ZINC000089922811 538586979 /nfs/dbraw/zinc/58/69/79/538586979.db2.gz BWYZGCWZGPBRDJ-VXGBXAGGSA-N 0 0 225.332 2.347 50 0 BEAARN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCCC1 ZINC000089941522 538587570 /nfs/dbraw/zinc/58/75/70/538587570.db2.gz WHHKWFFIYJKQHX-GXFFZTMASA-N 0 0 231.295 2.174 50 0 BEAARN C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC1 ZINC000089941520 538588088 /nfs/dbraw/zinc/58/80/88/538588088.db2.gz WHHKWFFIYJKQHX-GWCFXTLKSA-N 0 0 231.295 2.174 50 0 BEAARN CCc1nccn1Cc1noc2c1CCCC2 ZINC000095441078 538607723 /nfs/dbraw/zinc/60/77/23/538607723.db2.gz NDUBEKKRUOUOAD-UHFFFAOYSA-N 0 0 231.299 2.361 50 0 BEAARN CC(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000095394496 538605114 /nfs/dbraw/zinc/60/51/14/538605114.db2.gz JRMMYGIGOBOJED-CQSZACIVSA-N 0 0 229.279 2.009 50 0 BEAARN Cc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)nc1 ZINC000095966449 538609915 /nfs/dbraw/zinc/60/99/15/538609915.db2.gz NEZLRIUTSISDMU-RYUDHWBXSA-N 0 0 231.299 2.213 50 0 BEAARN Cc1cnn(-c2cccc(N3CCCC3)n2)c1 ZINC000095418159 538610543 /nfs/dbraw/zinc/61/05/43/538610543.db2.gz ONGLXTSHPRMZTR-UHFFFAOYSA-N 0 0 228.299 2.176 50 0 BEAARN C[C@@H]1SCCN(C(N)=O)[C@@H]1c1ccccc1 ZINC000095960288 538611173 /nfs/dbraw/zinc/61/11/73/538611173.db2.gz VQTPZQUOSPWKSB-ONGXEEELSA-N 0 0 236.340 2.244 50 0 BEAARN Cc1cnc(NC(=O)c2ccoc2)s1 ZINC000012943605 356760411 /nfs/dbraw/zinc/76/04/11/356760411.db2.gz VCZJQEBBKHKUTP-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN Cc1ccc(NC(=O)c2cnn(C)c2)c(F)c1 ZINC000015604323 356798985 /nfs/dbraw/zinc/79/89/85/356798985.db2.gz JSDRJTJPYSWHCC-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cn1c2ccc(F)cc2nc1-c1ccc(=O)[nH]c1 ZINC000075120262 356858419 /nfs/dbraw/zinc/85/84/19/356858419.db2.gz YSCZILLIOBEQFE-UHFFFAOYSA-N 0 0 243.241 2.068 50 0 BEAARN CCC[C@@]1(c2ccncc2)C[C@@H](C)OC1=O ZINC000075260250 356926767 /nfs/dbraw/zinc/92/67/67/356926767.db2.gz IJCMIHWUFOLHMV-MFKMUULPSA-N 0 0 219.284 2.455 50 0 BEAARN C=Cn1ccnc1C(=O)Cc1ccccc1 ZINC000075283795 356938757 /nfs/dbraw/zinc/93/87/57/356938757.db2.gz WSXHXCDOIRVUHH-UHFFFAOYSA-N 0 0 212.252 2.409 50 0 BEAARN CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000075283118 356939278 /nfs/dbraw/zinc/93/92/78/356939278.db2.gz CEYFOOVTHPNZBR-UHFFFAOYSA-N 0 0 241.294 2.186 50 0 BEAARN NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000002382138 181289940 /nfs/dbraw/zinc/28/99/40/181289940.db2.gz SKSVSZRFINHARI-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN Cc1cnc(C(=O)NC2CCC(C)CC2)cn1 ZINC000012850921 538776781 /nfs/dbraw/zinc/77/67/81/538776781.db2.gz VTSZTJVKQPBDLP-UHFFFAOYSA-N 0 0 233.315 2.094 50 0 BEAARN C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012931341 538777951 /nfs/dbraw/zinc/77/79/51/538777951.db2.gz KAIOSRQHKAAEBN-CABZTGNLSA-N 0 0 237.274 2.182 50 0 BEAARN CN(C)c1ccc(NC(=O)[C@@H]2CC=CCC2)cn1 ZINC000022395979 357067976 /nfs/dbraw/zinc/06/79/76/357067976.db2.gz IOBTVFDHQHKGJF-LLVKDONJSA-N 0 0 245.326 2.442 50 0 BEAARN C[C@H](NC(=O)[C@H]1CCCO1)c1cccc(F)c1 ZINC000012977078 538780913 /nfs/dbraw/zinc/78/09/13/538780913.db2.gz JXAGVEKCVKBHDZ-JOYOIKCWSA-N 0 0 237.274 2.182 50 0 BEAARN Cc1ccccc1C(=O)N1CC(C(F)F)C1 ZINC000585391464 538798512 /nfs/dbraw/zinc/79/85/12/538798512.db2.gz MFQNULJLAHENCX-UHFFFAOYSA-N 0 0 225.238 2.332 50 0 BEAARN CCc1cc(C(=O)N[C@H](C)COC)sc1C ZINC000040459910 357382236 /nfs/dbraw/zinc/38/22/36/357382236.db2.gz ZJHZWFWZBJGRME-MRVPVSSYSA-N 0 0 241.356 2.384 50 0 BEAARN CCCCCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000001732486 357552640 /nfs/dbraw/zinc/55/26/40/357552640.db2.gz BKADZQMMFGCDLU-GHMZBOCLSA-N 0 0 213.321 2.203 50 0 BEAARN NC(=O)c1ccc(-c2ccccc2)[nH]c1=S ZINC000033727055 181292040 /nfs/dbraw/zinc/29/20/40/181292040.db2.gz OEISEKKGGXNLBK-UHFFFAOYSA-N 0 0 230.292 2.136 50 0 BEAARN NC(=O)c1cc2cc(Br)ccc2o1 ZINC000003384438 181292425 /nfs/dbraw/zinc/29/24/25/181292425.db2.gz VYOHEOKELADMTR-UHFFFAOYSA-N 0 0 240.056 2.294 50 0 BEAARN Cn1ccc(NC(=O)/C=C/c2ccccc2)n1 ZINC000012977521 357963954 /nfs/dbraw/zinc/96/39/54/357963954.db2.gz MESRYKIZIAUYFE-BQYQJAHWSA-N 0 0 227.267 2.072 50 0 BEAARN CC(C)CC(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000035538094 357993970 /nfs/dbraw/zinc/99/39/70/357993970.db2.gz GDHNXLDWHPMNQQ-UHFFFAOYSA-N 0 0 248.282 2.116 50 0 BEAARN Cc1cnc(C(=O)Nc2ccc(C)c(F)c2)cn1 ZINC000006396821 358008036 /nfs/dbraw/zinc/00/80/36/358008036.db2.gz YQAZNSBMIUNHFX-UHFFFAOYSA-N 0 0 245.257 2.485 50 0 BEAARN COCC1N=NC(=S)N1c1ccc(C)cc1C ZINC000006400400 358009483 /nfs/dbraw/zinc/00/94/83/358009483.db2.gz TZKMDLSAGBIWRJ-UHFFFAOYSA-N 0 0 249.339 2.319 50 0 BEAARN CC1(C)COCCN1C(=O)c1cccc(F)c1 ZINC000036101959 358010810 /nfs/dbraw/zinc/01/08/10/358010810.db2.gz ZJKNOYCZMHBVIR-UHFFFAOYSA-N 0 0 237.274 2.077 50 0 BEAARN CSc1nc(N)n(-c2c(C)cccc2C)n1 ZINC000034592510 358047259 /nfs/dbraw/zinc/04/72/59/358047259.db2.gz GBNUCNBONTVMKX-UHFFFAOYSA-N 0 0 234.328 2.188 50 0 BEAARN CONC(=O)c1csc(-c2ccccc2)n1 ZINC000040476701 358069714 /nfs/dbraw/zinc/06/97/14/358069714.db2.gz WKTZUHSAPNDSJH-UHFFFAOYSA-N 0 0 234.280 2.101 50 0 BEAARN CCCC(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000000149464 358081852 /nfs/dbraw/zinc/08/18/52/358081852.db2.gz KMMFETCHQUVWOV-UHFFFAOYSA-N 0 0 226.301 2.393 50 0 BEAARN NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000004389576 181294777 /nfs/dbraw/zinc/29/47/77/181294777.db2.gz FGKMHYWFFNKDPW-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN C/C=C\C[S@@](=O)Cc1nc(C)c(C)o1 ZINC000221783410 358126590 /nfs/dbraw/zinc/12/65/90/358126590.db2.gz TXYLNHYWHKNEQF-ZRUQZJFASA-N 0 0 213.302 2.116 50 0 BEAARN CCN(CCCOC)c1cccc(O)c1 ZINC000225600284 358587144 /nfs/dbraw/zinc/58/71/44/358587144.db2.gz IMBFOANKDCYNJB-UHFFFAOYSA-N 0 0 209.289 2.255 50 0 BEAARN COC(=O)CNCc1ccc(Cl)c(Cl)c1 ZINC000035708350 358590277 /nfs/dbraw/zinc/59/02/77/358590277.db2.gz XTYJRUUWOHTPNW-UHFFFAOYSA-N 0 0 248.109 2.256 50 0 BEAARN COC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000086519502 359006861 /nfs/dbraw/zinc/00/68/61/359006861.db2.gz FDWPCASUEHITRO-VIFPVBQESA-N 0 0 236.189 2.265 50 0 BEAARN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)no1 ZINC000075895261 359245512 /nfs/dbraw/zinc/24/55/12/359245512.db2.gz AWXRIOMPXPSWGE-AOOOYVTPSA-N 0 0 226.345 2.309 50 0 BEAARN Cc1nnc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)n1C ZINC000248162407 359257910 /nfs/dbraw/zinc/25/79/10/359257910.db2.gz YFFQLJHWIKZASN-KGYLQXTDSA-N 0 0 248.374 2.277 50 0 BEAARN CCO[P@@]1(=O)OC(C)(C)C[C@]1(C)O ZINC000002007427 359689934 /nfs/dbraw/zinc/68/99/34/359689934.db2.gz GTQYAZQCUFLOCL-AMIZOPFISA-N 0 0 208.194 2.123 50 0 BEAARN CCCCOCCOC(=O)c1cccnc1 ZINC000002020020 359743562 /nfs/dbraw/zinc/74/35/62/359743562.db2.gz IZJRISIINLJVBU-UHFFFAOYSA-N 0 0 223.272 2.055 50 0 world BEAARN Cn1c(CNc2ccc(F)cc2)n[nH]c1=S ZINC000006557173 360087998 /nfs/dbraw/zinc/08/79/98/360087998.db2.gz ZUAYRGZKSZWRLK-UHFFFAOYSA-N 0 0 238.291 2.229 50 0 BEAARN CC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000095393291 360337063 /nfs/dbraw/zinc/33/70/63/360337063.db2.gz WQCQTTKTPPHIBG-UHFFFAOYSA-N 0 0 235.674 2.484 50 0 BEAARN CN1CCN(C(=O)C2(C)CC2)c2ccc(F)cc21 ZINC000095966118 360342698 /nfs/dbraw/zinc/34/26/98/360342698.db2.gz FYKHBFGQAFWAIL-UHFFFAOYSA-N 0 0 248.301 2.409 50 0 BEAARN Cn1c(=S)[nH]c2c1c1ccccc1oc2=O ZINC000006668031 360559918 /nfs/dbraw/zinc/55/99/18/360559918.db2.gz KEQJHCBQNXBVML-UHFFFAOYSA-N 0 0 232.264 2.342 50 0 BEAARN NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000000350724 181301859 /nfs/dbraw/zinc/30/18/59/181301859.db2.gz JBNWVOPWJLKUPN-UHFFFAOYSA-N 0 0 214.268 2.146 50 0 biogenic BEAARN CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000006726585 360681392 /nfs/dbraw/zinc/68/13/92/360681392.db2.gz YDPGKKSSJWPHCV-MNOVXSKESA-N 0 0 233.377 2.285 50 0 BEAARN NC(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000009641072 181304771 /nfs/dbraw/zinc/30/47/71/181304771.db2.gz WAHKAYSBXRAGRE-SNVBAGLBSA-N 0 0 244.294 2.080 50 0 BEAARN NC(=O)c1cccc(CSc2ccccn2)c1 ZINC000032827029 181305313 /nfs/dbraw/zinc/30/53/13/181305313.db2.gz RQMYOZNRSQAVIT-UHFFFAOYSA-N 0 0 244.319 2.473 50 0 BEAARN NC(=O)c1ccccc1NC(=O)[C@H]1CC=CCC1 ZINC000008270775 181306108 /nfs/dbraw/zinc/30/61/08/181306108.db2.gz ROCWPVWDTUAALY-JTQLQIEISA-N 0 0 244.294 2.080 50 0 BEAARN CCOc1ccccc1NC(=O)c1cc(C)[nH]n1 ZINC000006736857 360702896 /nfs/dbraw/zinc/70/28/96/360702896.db2.gz PYWIBGZECGXDKB-UHFFFAOYSA-N 0 0 245.282 2.369 50 0 BEAARN NC(=O)c1cncc(-c2ccc(F)c(F)c2)c1 ZINC000032603525 181308258 /nfs/dbraw/zinc/30/82/58/181308258.db2.gz NCOZZFIXPIWKDQ-UHFFFAOYSA-N 0 0 234.205 2.126 50 0 BEAARN NC(=O)c1cncc(CCCc2ccccc2)c1 ZINC000091526745 181308325 /nfs/dbraw/zinc/30/83/25/181308325.db2.gz QYCVIKNEEOZENH-UHFFFAOYSA-N 0 0 240.306 2.356 50 0 BEAARN CC(C)n1cc(C(=O)C(F)(F)F)cn1 ZINC000082589442 200664016 /nfs/dbraw/zinc/66/40/16/200664016.db2.gz JAVDJDQEDRNTQR-UHFFFAOYSA-N 0 0 206.167 2.209 50 0 BEAARN CC(C)Cc1nc2[nH]nc(N)c2c2c1CCC2 ZINC000005075250 200651245 /nfs/dbraw/zinc/65/12/45/200651245.db2.gz YBCQZRZPQCTREM-UHFFFAOYSA-N 0 0 230.315 2.227 50 0 BEAARN CC(=O)N[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000058314446 200657631 /nfs/dbraw/zinc/65/76/31/200657631.db2.gz ZTWBOEFHVMJFIG-JTQLQIEISA-N 0 0 243.310 2.378 50 0 BEAARN CC(C)(C)C(=O)Oc1ccc(CO)cc1 ZINC000035904736 166537109 /nfs/dbraw/zinc/53/71/09/166537109.db2.gz AYTDWGYFYZIASM-UHFFFAOYSA-N 0 0 208.257 2.130 50 0 BEAARN CC(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000096404689 200731420 /nfs/dbraw/zinc/73/14/20/200731420.db2.gz PBWZWQGQZYAVPP-UHFFFAOYSA-N 0 0 247.342 2.098 50 0 BEAARN NC(=O)c1sc(-c2ccccc2)cc1N ZINC000002539764 181314094 /nfs/dbraw/zinc/31/40/94/181314094.db2.gz DYRYDYQWWQHRQE-UHFFFAOYSA-N 0 0 218.281 2.096 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc2snnc2c1 ZINC000006809193 360882950 /nfs/dbraw/zinc/88/29/50/360882950.db2.gz KBJCOMZTDIBBGL-SSDOTTSWSA-N 0 0 235.312 2.220 50 0 BEAARN NC(=S)Cc1c(F)cccc1Cl ZINC000041212406 181315900 /nfs/dbraw/zinc/31/59/00/181315900.db2.gz MQGQGNYWIVIDEP-UHFFFAOYSA-N 0 0 203.669 2.308 50 0 BEAARN NC(=S)NCc1ccc(Cl)cc1Cl ZINC000030718793 181318721 /nfs/dbraw/zinc/31/87/21/181318721.db2.gz FMSBTGCVHZJGEK-UHFFFAOYSA-N 0 0 235.139 2.327 50 0 BEAARN NC(=S)Nc1ncc(Cl)cc1Cl ZINC000098073389 181319303 /nfs/dbraw/zinc/31/93/03/181319303.db2.gz RRWWUBPSZSTRRC-UHFFFAOYSA-N 0 0 222.100 2.044 50 0 BEAARN CON(C)C(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000036391308 361073160 /nfs/dbraw/zinc/07/31/60/361073160.db2.gz JXGSPBRXIVQEIC-LLVKDONJSA-N 0 0 237.299 2.091 50 0 BEAARN CON(C)C(=O)[C@H](C)Oc1cccc(C)c1C ZINC000036391307 361073212 /nfs/dbraw/zinc/07/32/12/361073212.db2.gz JXGSPBRXIVQEIC-NSHDSACASA-N 0 0 237.299 2.091 50 0 BEAARN O=C(CCc1ccccc1F)Nc1cn[nH]c1 ZINC000036393342 361077869 /nfs/dbraw/zinc/07/78/69/361077869.db2.gz RACLNWDWJKMXLZ-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cc1noc(CSc2ccccn2)n1 ZINC000036396552 361082060 /nfs/dbraw/zinc/08/20/60/361082060.db2.gz NQSHRSKZXUPOEE-UHFFFAOYSA-N 0 0 207.258 2.065 50 0 BEAARN FC(F)CNC(=S)Nc1ccccc1 ZINC000036611951 361181399 /nfs/dbraw/zinc/18/13/99/361181399.db2.gz NIOXOUYCZTVHBD-UHFFFAOYSA-N 0 0 216.256 2.238 50 0 BEAARN O=C(CCCc1ccccc1)NC1=NCCS1 ZINC000007045221 361182973 /nfs/dbraw/zinc/18/29/73/361182973.db2.gz DGHFUFHOSHQWRE-UHFFFAOYSA-N 0 0 248.351 2.228 50 0 BEAARN COC(=O)c1cc(OCC(C)C)ccc1N ZINC000041046220 361184117 /nfs/dbraw/zinc/18/41/17/361184117.db2.gz VSAIUVDAOGMWCB-UHFFFAOYSA-N 0 0 223.272 2.090 50 0 BEAARN CCOc1ccccc1-c1nc(CC)nn1C ZINC000426514652 200992466 /nfs/dbraw/zinc/99/24/66/200992466.db2.gz MITOKUUTFADOJV-UHFFFAOYSA-N 0 0 231.299 2.443 50 0 BEAARN NC(=O)c1ccc(-c2cccc3ccnn32)cc1 ZINC000426667408 200995873 /nfs/dbraw/zinc/99/58/73/200995873.db2.gz MUNBEFVHCDSXMY-UHFFFAOYSA-N 0 0 237.262 2.100 50 0 BEAARN CC(C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041194531 361444378 /nfs/dbraw/zinc/44/43/78/361444378.db2.gz LVCWKYWVXUOHQZ-VXGBXAGGSA-N 0 0 225.332 2.203 50 0 BEAARN CCCC[C@@H]1CCC[C@@H]1NC(=O)COC ZINC000068710554 361480180 /nfs/dbraw/zinc/48/01/80/361480180.db2.gz OUJYZIBTFZBTPL-MNOVXSKESA-N 0 0 213.321 2.108 50 0 BEAARN CC[C@]1(c2ccc(C(C)C)cc2)NC(=O)NC1=O ZINC000041583533 361567389 /nfs/dbraw/zinc/56/73/89/361567389.db2.gz QFXJAIMMDDEZPW-CQSZACIVSA-N 0 0 246.310 2.255 50 0 BEAARN CNc1snc(C)c1C(=O)N1CCCCC1 ZINC000027337236 363877152 /nfs/dbraw/zinc/87/71/52/363877152.db2.gz QKOPNRRYWPDQAZ-UHFFFAOYSA-N 0 0 239.344 2.119 50 0 BEAARN Cc1ccc(C(N)=O)cc1OCc1ccccn1 ZINC000097148429 541325254 /nfs/dbraw/zinc/32/52/54/541325254.db2.gz XZPNQIMQIJORRG-UHFFFAOYSA-N 0 0 242.278 2.068 50 0 BEAARN O=C1CCCN1CCc1c[nH]c2ccccc12 ZINC000001644731 541328549 /nfs/dbraw/zinc/32/85/49/541328549.db2.gz HUULIVDXAQTZEE-UHFFFAOYSA-N 0 0 228.295 2.333 50 0 BEAARN Cn1ccc(NCc2ccc(F)c(F)c2)n1 ZINC000037471751 364055710 /nfs/dbraw/zinc/05/57/10/364055710.db2.gz NLMRRPMNHBEXBR-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN CCC(=O)N=c1sc2ccccc2n1C ZINC000252666145 364757791 /nfs/dbraw/zinc/75/77/91/364757791.db2.gz APNFPNVTBGCDEV-UHFFFAOYSA-N 0 0 220.297 2.077 50 0 BEAARN Cc1ccccc1CC1CN(c2ncccn2)C1 ZINC000095412186 541388980 /nfs/dbraw/zinc/38/89/80/541388980.db2.gz SDLHWXDHBLGDLZ-UHFFFAOYSA-N 0 0 239.322 2.464 50 0 BEAARN COC(=O)c1cc(CSC=N)c(C)o1 ZINC000409415863 541428094 /nfs/dbraw/zinc/42/80/94/541428094.db2.gz OKXGEBBPTQGGDA-UHFFFAOYSA-N 0 0 212.250 2.092 50 0 BEAARN Cc1cc(C)n(CCC(=O)N2CCC[C@@H](C)C2)n1 ZINC000032873661 541501961 /nfs/dbraw/zinc/50/19/61/541501961.db2.gz ZZUVVNXERJKIFV-LLVKDONJSA-N 0 0 249.358 2.149 50 0 BEAARN CC(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000141933909 541503394 /nfs/dbraw/zinc/50/33/94/541503394.db2.gz GCYPJVATZCNTQC-UHFFFAOYSA-N 0 0 213.277 2.023 50 0 BEAARN CCOC(=O)c1ccc(-n2cnc(C)c2C)nc1 ZINC000233729570 541509441 /nfs/dbraw/zinc/50/94/41/541509441.db2.gz LGOGAPFQQLOCSO-UHFFFAOYSA-N 0 0 245.282 2.061 50 0 BEAARN CC(C)C(=O)N1CC[C@H](OCc2ccccc2)C1 ZINC000383836528 367655804 /nfs/dbraw/zinc/65/58/04/367655804.db2.gz LHSAKDGZJKODSX-AWEZNQCLSA-N 0 0 247.338 2.460 50 0 BEAARN CC[NH+](CC)Cc1csc(C(=O)[O-])c1 ZINC000002254664 368143584 /nfs/dbraw/zinc/14/35/84/368143584.db2.gz MJKMCENYVHMQCB-UHFFFAOYSA-N 0 0 213.302 2.288 50 0 BEAARN COC(=O)c1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000149714902 368308094 /nfs/dbraw/zinc/30/80/94/368308094.db2.gz YRNCZPUTFIMKNT-UHFFFAOYSA-N 0 0 233.582 2.174 50 0 BEAARN Cc1cc(=O)[nH]c(NN=C2CCCC[C@H]2C)n1 ZINC000017352424 368371770 /nfs/dbraw/zinc/37/17/70/368371770.db2.gz ARUSYOXABALNOD-MRVPVSSYSA-N 0 0 234.303 2.056 50 0 BEAARN CCn1cc(CN(C)C(=O)[C@H]2CC=CCC2)cn1 ZINC000072889816 368784387 /nfs/dbraw/zinc/78/43/87/368784387.db2.gz QRIUFKGMCWCCCN-ZDUSSCGKSA-N 0 0 247.342 2.218 50 0 BEAARN c1cc2ncnc(N3CCCC3)c2s1 ZINC000073108978 368794048 /nfs/dbraw/zinc/79/40/48/368794048.db2.gz FCHKTDZMHWENEO-UHFFFAOYSA-N 0 0 205.286 2.292 50 0 BEAARN CC(C)[C@H](O)C(=O)NC1(CC(C)(C)C)CC1 ZINC000584893243 369040438 /nfs/dbraw/zinc/04/04/38/369040438.db2.gz YMXLZTIEASHEQV-JTQLQIEISA-N 0 0 227.348 2.088 50 0 BEAARN CSc1nc(NC(C)=O)nc(C)c1Cl ZINC000000495436 369395629 /nfs/dbraw/zinc/39/56/29/369395629.db2.gz PNYBVOMDWLKRBS-UHFFFAOYSA-N 0 0 231.708 2.119 50 0 BEAARN Cc1ccc2cccnc2c1NC(N)=S ZINC000002384390 370419271 /nfs/dbraw/zinc/41/92/71/370419271.db2.gz GXFGHRCGXNFQEY-UHFFFAOYSA-N 0 0 217.297 2.199 50 0 BEAARN CCNC(=O)c1ccc(OC2CCC2)cc1 ZINC000079452260 371194296 /nfs/dbraw/zinc/19/42/96/371194296.db2.gz LIVWTWGXVOIZPL-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN O=C(CCn1cccc1)NCCCc1ccco1 ZINC000021016698 371357787 /nfs/dbraw/zinc/35/77/87/371357787.db2.gz HXGKSPWTSHJESH-UHFFFAOYSA-N 0 0 246.310 2.220 50 0 BEAARN Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000041045911 181684934 /nfs/dbraw/zinc/68/49/34/181684934.db2.gz WLUQKEUGNJBYRE-MRVPVSSYSA-N 0 0 227.691 2.338 50 0 BEAARN CCc1cnc(COC(=O)c2ccncc2)s1 ZINC000096009822 371376533 /nfs/dbraw/zinc/37/65/33/371376533.db2.gz JYRXCXFNLXVAJF-UHFFFAOYSA-N 0 0 248.307 2.458 50 0 BEAARN CCN[C@]1(c2ccco2)CCCCC1=O ZINC000096027630 371382396 /nfs/dbraw/zinc/38/23/96/371382396.db2.gz OTNFUUYPHZFQSF-GFCCVEGCSA-N 0 0 207.273 2.228 50 0 BEAARN CC[C@@H](OC(=O)c1cscc1C)C(=O)OC ZINC000097022687 371538252 /nfs/dbraw/zinc/53/82/52/371538252.db2.gz BPFNWHSUHWBFHI-SECBINFHSA-N 0 0 242.296 2.165 50 0 BEAARN Cc1c(CCC(=O)NC2CCCCC2)cnn1C ZINC000028575429 371616397 /nfs/dbraw/zinc/61/63/97/371616397.db2.gz WRVDUFSMXDXJHQ-UHFFFAOYSA-N 0 0 249.358 2.110 50 0 BEAARN CCCc1cc(C(=O)N[C@H](C)CC)no1 ZINC000002498050 371560504 /nfs/dbraw/zinc/56/05/04/371560504.db2.gz HQLCBGHPKYULGV-MRVPVSSYSA-N 0 0 210.277 2.155 50 0 BEAARN COCc1nc(CSc2ccoc2C)no1 ZINC000131402880 371600003 /nfs/dbraw/zinc/60/00/03/371600003.db2.gz ZUPFINFALARDQC-UHFFFAOYSA-N 0 0 240.284 2.410 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(-c2ccco2)on1 ZINC000002602346 371610078 /nfs/dbraw/zinc/61/00/78/371610078.db2.gz LADVWOMSKJIPMA-MRVPVSSYSA-N 0 0 234.255 2.463 50 0 BEAARN CCSc1nnc(NC(=O)[C@@H]2C[C@H]2C)s1 ZINC000002648645 371622039 /nfs/dbraw/zinc/62/20/39/371622039.db2.gz BLVUYYRLEVJVSH-PHDIDXHHSA-N 0 0 243.357 2.245 50 0 BEAARN Nc1n[nH]c(SCc2ccccc2Cl)n1 ZINC000002487491 181788935 /nfs/dbraw/zinc/78/89/35/181788935.db2.gz ZNOCPAKIRUVGCS-UHFFFAOYSA-N 0 0 240.719 2.333 50 0 BEAARN COC[C@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC000002739662 371645192 /nfs/dbraw/zinc/64/51/92/371645192.db2.gz FFGVLDYPDMZYRF-NEPJUHHUSA-N 0 0 235.327 2.331 50 0 BEAARN CSc1cccc(NC(=O)Cn2ccnc2)c1 ZINC000029594139 371784948 /nfs/dbraw/zinc/78/49/48/371784948.db2.gz GGQMSDZPBRRALD-UHFFFAOYSA-N 0 0 247.323 2.244 50 0 BEAARN O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1 ZINC000003276406 371939838 /nfs/dbraw/zinc/93/98/38/371939838.db2.gz YGFZKHLNKQEDBM-UHFFFAOYSA-N 0 0 244.294 2.051 50 0 BEAARN Cn1ccnc1SCc1cn2ccccc2n1 ZINC000003242447 371927837 /nfs/dbraw/zinc/92/78/37/371927837.db2.gz RBAVNKCVEGKJKO-UHFFFAOYSA-N 0 0 244.323 2.360 50 0 BEAARN CC[C@@H]1CCCCN1Cn1ncn(C)c1=S ZINC000003258032 371931087 /nfs/dbraw/zinc/93/10/87/371931087.db2.gz JCNYQOWOBBKXFK-SNVBAGLBSA-N 0 0 240.376 2.173 50 0 BEAARN O=C(/C=C/c1cccnc1)NC1CCCC1 ZINC000030860854 181842684 /nfs/dbraw/zinc/84/26/84/181842684.db2.gz NRKHUOLHXIAQMX-BQYQJAHWSA-N 0 0 216.284 2.154 50 0 BEAARN CSc1ccc(-n2cc([C@H](C)O)nn2)cc1 ZINC000163362531 371982971 /nfs/dbraw/zinc/98/29/71/371982971.db2.gz MKZBPGRIYJUJCG-QMMMGPOBSA-N 0 0 235.312 2.043 50 0 BEAARN O=C(Oc1ccc2c(c1)OCO2)c1ccncc1 ZINC000003552286 372016776 /nfs/dbraw/zinc/01/67/76/372016776.db2.gz IIKRZJXUCSNLGR-UHFFFAOYSA-N 0 0 243.218 2.030 50 0 BEAARN O=C(/C=C\c1ccc[nH]1)OCc1cccnc1 ZINC000606442752 372103077 /nfs/dbraw/zinc/10/30/77/372103077.db2.gz BWONBKPLRGSGOC-WAYWQWQTSA-N 0 0 228.251 2.166 50 0 BEAARN CC[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163085 372154812 /nfs/dbraw/zinc/15/48/12/372154812.db2.gz OGSJDLMQXSIQKS-SECBINFHSA-N 0 0 244.294 2.265 50 0 BEAARN CC(C)c1nnnn1-c1ccc(Cl)cc1 ZINC000004041141 372123370 /nfs/dbraw/zinc/12/33/70/372123370.db2.gz UWOKEJKMQNULII-UHFFFAOYSA-N 0 0 222.679 2.439 50 0 BEAARN O=C(C1CCCC1)N1CCC[C@H]1Cn1cccn1 ZINC000069949855 181869041 /nfs/dbraw/zinc/86/90/41/181869041.db2.gz SRBLCSCYSVMUGQ-ZDUSSCGKSA-N 0 0 247.342 2.064 50 0 BEAARN CCn1c(=O)[nH]c2cc(Br)ccc21 ZINC000032500766 372199433 /nfs/dbraw/zinc/19/94/33/372199433.db2.gz VIGNKCSOIIWEBP-UHFFFAOYSA-N 0 0 241.088 2.112 50 0 BEAARN c1cc(CNc2ncnc3nc[nH]c32)cs1 ZINC000032507821 372200672 /nfs/dbraw/zinc/20/06/72/372200672.db2.gz YSANEOBAJIAOIO-UHFFFAOYSA-N 0 0 231.284 2.027 50 0 BEAARN O=C(CC1CC1)N1Cc2cccc(F)c2C1 ZINC000335128686 181888208 /nfs/dbraw/zinc/88/82/08/181888208.db2.gz CGKWYQSFKVHCJG-UHFFFAOYSA-N 0 0 219.259 2.468 50 0 BEAARN Cn1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cn1 ZINC000008095594 372330336 /nfs/dbraw/zinc/33/03/36/372330336.db2.gz JSBKKIAMBYPNQL-RYUDHWBXSA-N 0 0 247.342 2.072 50 0 BEAARN O=C(CCCc1ccccc1)NC[C@@H]1CCCO1 ZINC000000339812 181911867 /nfs/dbraw/zinc/91/18/67/181911867.db2.gz TYLOKPONSHZEHO-AWEZNQCLSA-N 0 0 247.338 2.305 50 0 BEAARN Cn1cnnc1SCc1nc2ccccc2o1 ZINC000008315759 372564728 /nfs/dbraw/zinc/56/47/28/372564728.db2.gz QYGHBADMZVFRJA-UHFFFAOYSA-N 0 0 246.295 2.249 50 0 BEAARN O=C(CCc1cccc(F)c1)Nc1cn[nH]c1 ZINC000040087190 181930730 /nfs/dbraw/zinc/93/07/30/181930730.db2.gz UUWDUTZQNUSEDP-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN O=C(CCc1ccco1)Nc1ccncc1 ZINC000025631866 181933738 /nfs/dbraw/zinc/93/37/38/181933738.db2.gz WBIOWCRHIUDTKQ-UHFFFAOYSA-N 0 0 216.240 2.246 50 0 BEAARN O=C(CCc1cscn1)O[C@@H]1CCSC1 ZINC000095959363 181940540 /nfs/dbraw/zinc/94/05/40/181940540.db2.gz MRNIACBDISLBGN-SECBINFHSA-N 0 0 243.353 2.124 50 0 BEAARN CC(C)C(=O)N[C@H](C)Cc1cccs1 ZINC000038935391 372817197 /nfs/dbraw/zinc/81/71/97/372817197.db2.gz UDXUENGTHMUETK-SECBINFHSA-N 0 0 211.330 2.451 50 0 BEAARN O=C(COc1ccccc1F)N1CCCCC1 ZINC000003203081 182002706 /nfs/dbraw/zinc/00/27/06/182002706.db2.gz VFLBEOAHZKDAAF-UHFFFAOYSA-N 0 0 237.274 2.217 50 0 BEAARN Nc1cnnc(N=NCc2ccccc2)c1Cl ZINC000008721262 372862139 /nfs/dbraw/zinc/86/21/39/372862139.db2.gz POYVNDMNDPZUDE-UHFFFAOYSA-N 0 0 247.689 2.158 50 0 BEAARN O=C(CSc1ccc(O)cc1)NCC1CC1 ZINC000038079010 182009010 /nfs/dbraw/zinc/00/90/10/182009010.db2.gz GMRASKRSFSNRQY-UHFFFAOYSA-N 0 0 237.324 2.011 50 0 BEAARN O=C(CSc1ccc(F)cc1)N1CCC1 ZINC000012973358 182009690 /nfs/dbraw/zinc/00/96/90/182009690.db2.gz LBLYGVRNCSSGKN-UHFFFAOYSA-N 0 0 225.288 2.150 50 0 BEAARN O=C(CSc1ccccc1F)N1CCC1 ZINC000012937529 182009721 /nfs/dbraw/zinc/00/97/21/182009721.db2.gz OLJJYQBZGVCPNN-UHFFFAOYSA-N 0 0 225.288 2.150 50 0 BEAARN O=C(CSc1nnc(C2CC2)o1)c1ccc[nH]1 ZINC000008395789 182011766 /nfs/dbraw/zinc/01/17/66/182011766.db2.gz JNXQFDKOSAQVPN-UHFFFAOYSA-N 0 0 249.295 2.250 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCc1cccnc1 ZINC000040465310 182013942 /nfs/dbraw/zinc/01/39/42/182013942.db2.gz HVQFDACZKWDPQD-LLVKDONJSA-N 0 0 216.284 2.054 50 0 BEAARN c1cnc(N2CCc3ccccc3C2)nc1 ZINC000039265539 372923145 /nfs/dbraw/zinc/92/31/45/372923145.db2.gz AHUKBYQRKVDPDF-UHFFFAOYSA-N 0 0 211.268 2.039 50 0 BEAARN O=C(C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000168946036 182030650 /nfs/dbraw/zinc/03/06/50/182030650.db2.gz GUOWJBVUOPEYOU-SECBINFHSA-N 0 0 208.232 2.435 50 0 BEAARN COc1cc(C(=O)OC(C)(C)C)ccc1N ZINC000039320510 372943261 /nfs/dbraw/zinc/94/32/61/372943261.db2.gz CCWIQTOOCXIQME-UHFFFAOYSA-N 0 0 223.272 2.233 50 0 BEAARN O=C(Cc1ccc(F)cc1)NCc1cccnc1 ZINC000015950556 182036124 /nfs/dbraw/zinc/03/61/24/182036124.db2.gz ZQSJDRFUHQIELI-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1ccc(F)cc1)Nc1ccccn1 ZINC000000339780 182036357 /nfs/dbraw/zinc/03/63/57/182036357.db2.gz MOVFABSRMBOLNH-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN O=C(Cc1cccc(F)c1)Nc1ccccn1 ZINC000012526958 182042352 /nfs/dbraw/zinc/04/23/52/182042352.db2.gz ZLBHLENFJBHWFL-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN O=C(Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC000048627335 182045238 /nfs/dbraw/zinc/04/52/38/182045238.db2.gz WKELVGDAWDAQFI-SNVBAGLBSA-N 0 0 224.687 2.488 50 0 BEAARN O=C(Cc1cccc(F)c1)Nc1ccncc1 ZINC000017583682 182041508 /nfs/dbraw/zinc/04/15/08/182041508.db2.gz HXDXHAGTTYSFMJ-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN O=C(Cc1ccncc1)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077524612 182055134 /nfs/dbraw/zinc/05/51/34/182055134.db2.gz VDKIRRWDCCJKRG-IHRRRGAJSA-N 0 0 244.338 2.319 50 0 BEAARN O=C(Cc1cccs1)N1CCC[C@H]1CF ZINC000293934382 182051410 /nfs/dbraw/zinc/05/14/10/182051410.db2.gz CAECGDHUSJUQME-VIFPVBQESA-N 0 0 227.304 2.251 50 0 BEAARN O=C(Cc1noc2ccccc21)NCC1CCC1 ZINC000026139918 182061203 /nfs/dbraw/zinc/06/12/03/182061203.db2.gz XVBDAENWTKEIRP-UHFFFAOYSA-N 0 0 244.294 2.287 50 0 BEAARN O=C(C=C1NC(=O)CS1)c1ccccc1 ZINC000000090614 182061862 /nfs/dbraw/zinc/06/18/62/182061862.db2.gz JOQQMFJVYDPJEK-UHFFFAOYSA-N 0 0 219.265 2.274 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)C(C)(C)C ZINC000040050122 373097457 /nfs/dbraw/zinc/09/74/57/373097457.db2.gz KFBYYTJFNPLLIB-VIFPVBQESA-N 0 0 209.289 2.373 50 0 BEAARN CCOc1ccc(C(=O)Nc2nonc2C)cc1 ZINC000008915138 373100157 /nfs/dbraw/zinc/10/01/57/373100157.db2.gz DZQRLZZWTRZFMC-UHFFFAOYSA-N 0 0 247.254 2.029 50 0 BEAARN O=C(NC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004704584 182094792 /nfs/dbraw/zinc/09/47/92/182094792.db2.gz UBCVRGSRJOQNPT-UHFFFAOYSA-N 0 0 219.328 2.481 50 0 BEAARN Cc1nc(CNCc2c(C)n[nH]c2C)cs1 ZINC000040447615 373267243 /nfs/dbraw/zinc/26/72/43/373267243.db2.gz PBZCXSGEBOGCOT-UHFFFAOYSA-N 0 0 236.344 2.081 50 0 BEAARN COC(=O)c1occc1CN1CCC[C@@H](C)C1 ZINC000040475774 373293687 /nfs/dbraw/zinc/29/36/87/373293687.db2.gz INARRJMCCIMNDN-SNVBAGLBSA-N 0 0 237.299 2.298 50 0 BEAARN O=C(NC1CCC(O)CC1)OCc1ccccc1 ZINC000055388233 182101619 /nfs/dbraw/zinc/10/16/19/182101619.db2.gz JNPBKQOVSMBPGE-UHFFFAOYSA-N 0 0 249.310 2.216 50 0 BEAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCCC1 ZINC000040489135 373316193 /nfs/dbraw/zinc/31/61/93/373316193.db2.gz WZXVYZDEHLYPFR-UHFFFAOYSA-N 0 0 244.216 2.336 50 0 BEAARN CCc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000040489759 373317416 /nfs/dbraw/zinc/31/74/16/373317416.db2.gz FHCRDRYCSHKKOK-NXEZZACHSA-N 0 0 240.372 2.315 50 0 BEAARN CC(C)C(=O)NCCc1cccc(F)c1 ZINC000040464845 373281788 /nfs/dbraw/zinc/28/17/88/373281788.db2.gz UYIDDXWHWUHMNT-UHFFFAOYSA-N 0 0 209.264 2.140 50 0 BEAARN O=C(NC1CC1)c1cc2ccccc2cc1O ZINC000017122103 182099435 /nfs/dbraw/zinc/09/94/35/182099435.db2.gz KCFQWQHALOCDCV-UHFFFAOYSA-N 0 0 227.263 2.438 50 0 BEAARN O=C(NC1CCCC1)c1ccc2snnc2c1 ZINC000005152137 182111259 /nfs/dbraw/zinc/11/12/59/182111259.db2.gz KCQIRUFTPUCBCY-UHFFFAOYSA-N 0 0 247.323 2.364 50 0 BEAARN O=C(NC1CCCCC1)c1ccncc1 ZINC000003163013 182114055 /nfs/dbraw/zinc/11/40/55/182114055.db2.gz GFLMSUCMOKQXKT-UHFFFAOYSA-N 0 0 204.273 2.144 50 0 BEAARN O=C(NC1CCCCCC1)C(F)(F)F ZINC000004699550 182113812 /nfs/dbraw/zinc/11/38/12/182113812.db2.gz TUHBKESOIAKHHR-UHFFFAOYSA-N 0 0 209.211 2.388 50 0 BEAARN CCCn1nccc1NC(=O)c1c(C)noc1C ZINC000040516387 373419146 /nfs/dbraw/zinc/41/91/46/373419146.db2.gz RPAQDCRBTPOZAG-UHFFFAOYSA-N 0 0 248.286 2.150 50 0 BEAARN O=C(NCC1(O)CCCC1)Oc1ccccc1 ZINC000036110458 182132516 /nfs/dbraw/zinc/13/25/16/182132516.db2.gz VEKPTBMMWOMUJB-UHFFFAOYSA-N 0 0 235.283 2.080 50 0 BEAARN Cc1ccc(CCC(=O)N2CCOC[C@@H]2C)cc1 ZINC000040669203 373585678 /nfs/dbraw/zinc/58/56/78/373585678.db2.gz REOXEUCAPWWUAB-ZDUSSCGKSA-N 0 0 247.338 2.175 50 0 BEAARN O=C(NCC1CC1)c1c[nH]nc1-c1cccs1 ZINC000072329478 182142537 /nfs/dbraw/zinc/14/25/37/182142537.db2.gz ZFRPJRAYZLPBDI-UHFFFAOYSA-N 0 0 247.323 2.278 50 0 BEAARN C1CC1n1nnnc1SC1CCCC1 ZINC000060346736 205723165 /nfs/dbraw/zinc/72/31/65/205723165.db2.gz DRFWFSGLSPYMHX-UHFFFAOYSA-N 0 0 210.306 2.043 50 0 BEAARN CCCCNC(=O)NCc1cc(Cl)ccn1 ZINC000095985676 168850708 /nfs/dbraw/zinc/85/07/08/168850708.db2.gz RGPOVZWLIAKCTG-UHFFFAOYSA-N 0 0 241.722 2.334 50 0 BEAARN O=c1cc(-c2ccccc2)nc(N2CCCC2)[nH]1 ZINC000040887683 373871735 /nfs/dbraw/zinc/87/17/35/373871735.db2.gz AEFFGSIAVGSXLN-UHFFFAOYSA-N 0 0 241.294 2.037 50 0 BEAARN O=C(NCCOc1ccc(F)cc1)C1CCC1 ZINC000036393946 182198125 /nfs/dbraw/zinc/19/81/25/182198125.db2.gz ARYHZXYSMLICAY-UHFFFAOYSA-N 0 0 237.274 2.121 50 0 BEAARN O=C(NCC[C@H](CCO)c1ccccc1)C1CC1 ZINC000206624139 182200280 /nfs/dbraw/zinc/20/02/80/182200280.db2.gz UMTOKQOSJWJEQF-CYBMUJFWSA-N 0 0 247.338 2.069 50 0 BEAARN O=C(NCCc1ccsc1)c1ccoc1 ZINC000040509526 182210193 /nfs/dbraw/zinc/21/01/93/182210193.db2.gz WRMUMRFZWRCCQY-UHFFFAOYSA-N 0 0 221.281 2.314 50 0 BEAARN O=C(NCCc1cscn1)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000163010723 182212142 /nfs/dbraw/zinc/21/21/42/182212142.db2.gz UDLAYTKJUIFNAZ-JFGNBEQYSA-N 0 0 248.351 2.014 50 0 BEAARN COc1ccc(O)c(C(=O)N2CCCCC2)c1 ZINC000032865936 205920981 /nfs/dbraw/zinc/92/09/81/205920981.db2.gz CTBBQKQYXQAWGY-UHFFFAOYSA-N 0 0 235.283 2.027 50 0 BEAARN CCOc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000041094646 374109972 /nfs/dbraw/zinc/10/99/72/374109972.db2.gz QNHIXQZRQJPSES-UHFFFAOYSA-N 0 0 249.310 2.087 50 0 BEAARN CCCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041194513 374118722 /nfs/dbraw/zinc/11/87/22/374118722.db2.gz XIYDXOVBCWBWIY-NWDGAFQWSA-N 0 0 225.332 2.347 50 0 BEAARN O=C(NC[C@H](O)c1ccccc1)c1ccccc1 ZINC000000185944 182234037 /nfs/dbraw/zinc/23/40/37/182234037.db2.gz JZUOCQXDQFRPAF-AWEZNQCLSA-N 0 0 241.290 2.150 50 0 biogenic BEAARN C[C@@H](Cc1ccco1)NC(=O)c1ccnc(F)c1 ZINC000041039631 374095547 /nfs/dbraw/zinc/09/55/47/374095547.db2.gz GIGXWKQKUUOQEJ-VIFPVBQESA-N 0 0 248.257 2.175 50 0 BEAARN C[C@H](Nc1ccc2c3c(cccc31)CC2)C(N)=O ZINC000009368011 374106604 /nfs/dbraw/zinc/10/66/04/374106604.db2.gz LLQOXGRGCWNZED-VIFPVBQESA-N 0 0 240.306 2.224 50 0 BEAARN COC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000041421857 374138026 /nfs/dbraw/zinc/13/80/26/374138026.db2.gz WIWYUMLFLGREMI-PWSUYJOCSA-N 0 0 235.283 2.215 50 0 BEAARN COC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000041424142 374140536 /nfs/dbraw/zinc/14/05/36/374140536.db2.gz KVWROTRFKNMNCH-PWSUYJOCSA-N 0 0 235.283 2.215 50 0 BEAARN Cc1csc(CNC(=O)CC(C)C)n1 ZINC000041535052 374145154 /nfs/dbraw/zinc/14/51/54/374145154.db2.gz WVICGEZOYFETDS-UHFFFAOYSA-N 0 0 212.318 2.114 50 0 BEAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000027846386 182242544 /nfs/dbraw/zinc/24/25/44/182242544.db2.gz SDJMVFYCEAMEBU-GFCCVEGCSA-N 0 0 244.338 2.039 50 0 BEAARN O=C(NC[C@H]1CCCOC1)OCc1ccccc1 ZINC000096372408 182238704 /nfs/dbraw/zinc/23/87/04/182238704.db2.gz PEHYIKIUPOKBDC-CYBMUJFWSA-N 0 0 249.310 2.339 50 0 BEAARN NC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000143412686 374178472 /nfs/dbraw/zinc/17/84/72/374178472.db2.gz SFYUBSGKPWDRCP-NSHDSACASA-N 0 0 222.263 2.431 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000012898145 182238919 /nfs/dbraw/zinc/23/89/19/182238919.db2.gz LVIKHFVSQALAMQ-CQSZACIVSA-N 0 0 245.322 2.084 50 0 BEAARN O=C(NCc1cccc(F)c1)Nc1ncco1 ZINC000097377949 182254508 /nfs/dbraw/zinc/25/45/08/182254508.db2.gz MPIWDESTSYRJHX-UHFFFAOYSA-N 0 0 235.218 2.135 50 0 BEAARN Cc1c(C(=O)N(C)Cc2ccccc2)cnn1C ZINC000041970598 374232409 /nfs/dbraw/zinc/23/24/09/374232409.db2.gz LGEUZQMJCFAAIX-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN O=C(NCc1ccco1)NCc1ccc(F)cc1 ZINC000009722004 182250612 /nfs/dbraw/zinc/25/06/12/182250612.db2.gz XWYDDFGJYPVPLC-UHFFFAOYSA-N 0 0 248.257 2.418 50 0 BEAARN O=C(NCc1ccco1)c1ccc(Cl)nc1 ZINC000002628257 182263119 /nfs/dbraw/zinc/26/31/19/182263119.db2.gz YXLWMMZQKYJVPV-UHFFFAOYSA-N 0 0 236.658 2.258 50 0 BEAARN O=C(NCc1ccco1)c1cccnc1Cl ZINC000002780105 182263175 /nfs/dbraw/zinc/26/31/75/182263175.db2.gz AKKKBEMDLICCRT-UHFFFAOYSA-N 0 0 236.658 2.258 50 0 BEAARN O=C(NCc1ccco1)c1cc(Cl)ccn1 ZINC000012865030 182263352 /nfs/dbraw/zinc/26/33/52/182263352.db2.gz DNLNMZQVSSBQNW-UHFFFAOYSA-N 0 0 236.658 2.258 50 0 BEAARN O=C(NCc1ccncc1)c1ccc(F)cc1 ZINC000002766158 182265608 /nfs/dbraw/zinc/26/56/08/182265608.db2.gz HEPHGJWWGAIYJV-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccncc1)NC1CCCCC1 ZINC000000461789 182264073 /nfs/dbraw/zinc/26/40/73/182264073.db2.gz GRFSYZCLGWVEOX-UHFFFAOYSA-N 0 0 233.315 2.214 50 0 BEAARN CCCc1nc(CN2CCC[C@H](O)C2)cs1 ZINC000042651833 374279667 /nfs/dbraw/zinc/27/96/67/374279667.db2.gz WHGNSCDPKMAVIX-NSHDSACASA-N 0 0 240.372 2.052 50 0 BEAARN CCc1c(C)[n-]n(-c2ccc(OC)cc2)c1=O ZINC000009939628 374260400 /nfs/dbraw/zinc/26/04/00/374260400.db2.gz LJJPRKXBAHEITE-UHFFFAOYSA-N 0 0 232.283 2.045 50 0 BEAARN O=C(NCc1ccccc1)C(F)(Cl)Cl ZINC000003167892 182255822 /nfs/dbraw/zinc/25/58/22/182255822.db2.gz ONRPFPGNDBYGEM-UHFFFAOYSA-N 0 0 236.073 2.404 50 0 BEAARN O=C(NCc1ccccc1)C1CC=CC1 ZINC000071773971 182256114 /nfs/dbraw/zinc/25/61/14/182256114.db2.gz FPXIZPKIIJPPNI-UHFFFAOYSA-N 0 0 201.269 2.269 50 0 BEAARN O=C(NCc1ccccc1)[C@H]1CC1(Cl)Cl ZINC000006337383 182256351 /nfs/dbraw/zinc/25/63/51/182256351.db2.gz WIGZYRPMGXHTDC-SECBINFHSA-N 0 0 244.121 2.497 50 0 BEAARN O=C(NCc1ccccc1Cl)NC1CC1 ZINC000012986622 182257151 /nfs/dbraw/zinc/25/71/51/182257151.db2.gz YAAFZYRRQADBKY-UHFFFAOYSA-N 0 0 224.691 2.302 50 0 BEAARN O=C(NCc1ccccc1)c1ccncc1 ZINC000000050610 182257185 /nfs/dbraw/zinc/25/71/85/182257185.db2.gz YIGMDKYIWMVZDV-UHFFFAOYSA-N 0 0 212.252 2.012 50 0 BEAARN CCN1CCc2ccc(NC(=O)NC3CC3)cc21 ZINC000071795664 374291058 /nfs/dbraw/zinc/29/10/58/374291058.db2.gz FLCGLAAUSMUTSE-UHFFFAOYSA-N 0 0 245.326 2.353 50 0 BEAARN C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)C1CC1 ZINC000071798776 374293189 /nfs/dbraw/zinc/29/31/89/374293189.db2.gz PWPOYPFSTAPMAS-RKDXNWHRSA-N 0 0 210.321 2.225 50 0 BEAARN O=C(NCc1ccoc1)c1ccc(F)c(F)c1 ZINC000045783911 182267086 /nfs/dbraw/zinc/26/70/86/182267086.db2.gz ZEEVIAMONUVHBS-UHFFFAOYSA-N 0 0 237.205 2.488 50 0 BEAARN O=C(NCc1ccoc1)[C@@H]1CCC(F)(F)C1 ZINC000336438721 182267249 /nfs/dbraw/zinc/26/72/49/182267249.db2.gz PXBGDDLWYDNWJD-SECBINFHSA-N 0 0 229.226 2.331 50 0 BEAARN CSc1nnc(-c2ccccc2NC(C)=O)o1 ZINC000010434358 374300673 /nfs/dbraw/zinc/30/06/73/374300673.db2.gz ZGFVAXVFKPMFME-UHFFFAOYSA-N 0 0 249.295 2.417 50 0 BEAARN O=C(NCc1n[nH]c2ccccc12)c1ccco1 ZINC000064542817 182271826 /nfs/dbraw/zinc/27/18/26/182271826.db2.gz OJAXBTFHYQCRLM-UHFFFAOYSA-N 0 0 241.250 2.086 50 0 BEAARN Cc1c(Cl)cccc1NCC(=O)NC1CC1 ZINC000010223231 374283570 /nfs/dbraw/zinc/28/35/70/374283570.db2.gz PHAQMSZNENIBEE-UHFFFAOYSA-N 0 0 238.718 2.339 50 0 BEAARN CC(C)=CC(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000240002273 206022905 /nfs/dbraw/zinc/02/29/05/206022905.db2.gz PQWZGFLDDWNUFW-ZDUSSCGKSA-N 0 0 246.310 2.028 50 0 BEAARN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccn[nH]1 ZINC000098013211 182316004 /nfs/dbraw/zinc/31/60/04/182316004.db2.gz BPKXLFHVBLQOGN-ZYHUDNBSSA-N 0 0 233.315 2.108 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1 ZINC000075260251 182352379 /nfs/dbraw/zinc/35/23/79/182352379.db2.gz MNOLYOSRJJVZQB-UHFFFAOYSA-N 0 0 221.647 2.109 50 0 BEAARN O=C(Nc1ccc(F)cc1)NC1CCC1 ZINC000013331734 182356015 /nfs/dbraw/zinc/35/60/15/182356015.db2.gz JRBJGFHXKDCZTA-UHFFFAOYSA-N 0 0 208.236 2.500 50 0 BEAARN O=C(Nc1cc(F)ccc1F)C1CCOCC1 ZINC000024636001 182349354 /nfs/dbraw/zinc/34/93/54/182349354.db2.gz MMHGDVWZYONVPE-UHFFFAOYSA-N 0 0 241.237 2.330 50 0 BEAARN O=C(Nc1ccc(O)cc1)c1ccccc1O ZINC000000001856 182360768 /nfs/dbraw/zinc/36/07/68/182360768.db2.gz LGCMKPRGGJRYGM-UHFFFAOYSA-N 0 0 229.235 2.350 50 0 in-man BEAARN O=C(Nc1ccc2n[nH]cc2c1)c1ccncc1 ZINC000013736823 182361915 /nfs/dbraw/zinc/36/19/15/182361915.db2.gz ODKCDXHJWUVFEF-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccn1 ZINC000000171065 182365065 /nfs/dbraw/zinc/36/50/65/182365065.db2.gz QFORJOQLCRHFAV-UHFFFAOYSA-N 0 0 242.234 2.063 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)C1CCC1 ZINC000002869533 182365616 /nfs/dbraw/zinc/36/56/16/182365616.db2.gz OBHXYRHYWRGUJN-UHFFFAOYSA-N 0 0 219.240 2.154 50 0 BEAARN O=C(Nc1ccccc1)C(=S)N1CCCC1 ZINC000001063716 182375104 /nfs/dbraw/zinc/37/51/04/182375104.db2.gz YRBRMZDMHDGZBJ-UHFFFAOYSA-N 0 0 234.324 2.048 50 0 BEAARN O=C(Nc1ccccc1)NC(F)(F)F ZINC000064220308 182375534 /nfs/dbraw/zinc/37/55/34/182375534.db2.gz NJWVRDKMHWUFTN-UHFFFAOYSA-N 0 0 204.151 2.328 50 0 BEAARN O=C(Nc1ccccc1)N[C@H]1CCC[C@H](O)C1 ZINC000075156798 182375924 /nfs/dbraw/zinc/37/59/24/182375924.db2.gz WDNXBNRDYJIYLR-RYUDHWBXSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1cnns1)Nc1ccccc1 ZINC000000073715 182376094 /nfs/dbraw/zinc/37/60/94/182376094.db2.gz HFCYZXMHUIHAQI-UHFFFAOYSA-N 0 0 220.257 2.182 50 0 in-vitro BEAARN O=C(Nc1nncs1)Nc1ccccc1 ZINC000000330148 182376132 /nfs/dbraw/zinc/37/61/32/182376132.db2.gz GFFHLIHHQYTOFL-UHFFFAOYSA-N 0 0 220.257 2.182 50 0 BEAARN O=C(Nc1cccc(F)c1)N1CCCC1 ZINC000006741019 182369527 /nfs/dbraw/zinc/36/95/27/182369527.db2.gz KXULJPFESFYYLO-UHFFFAOYSA-N 0 0 208.236 2.453 50 0 BEAARN O=C(Nc1cccc(F)c1)c1cccnc1 ZINC000000029655 182371011 /nfs/dbraw/zinc/37/10/11/182371011.db2.gz SMWLNSYGXXNZCJ-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccsc1)[C@H]1CC1(F)F ZINC000294784521 182389613 /nfs/dbraw/zinc/38/96/13/182389613.db2.gz AHJGWQBWDQCOIK-ZCFIWIBFSA-N 0 0 203.213 2.342 50 0 BEAARN O=C(Nc1ccccn1)c1ccc2c(c1)CCO2 ZINC000024444912 182383293 /nfs/dbraw/zinc/38/32/93/182383293.db2.gz QWVXEDIKALBZIJ-UHFFFAOYSA-N 0 0 240.262 2.269 50 0 BEAARN O=C(Nc1cccnc1)[C@H]1CC=CCC1 ZINC000015826682 182383573 /nfs/dbraw/zinc/38/35/73/182383573.db2.gz ZXSSQGMXSPQJKO-JTQLQIEISA-N 0 0 202.257 2.376 50 0 BEAARN O=C(Nc1ccnc(Cl)c1)c1ccccn1 ZINC000013629234 182384971 /nfs/dbraw/zinc/38/49/71/182384971.db2.gz RPMGZQSAVIPBMD-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccncc1)c1ccc2[nH]cnc2c1 ZINC000001070076 182386379 /nfs/dbraw/zinc/38/63/79/182386379.db2.gz HTSOKKQQHBTHGS-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ccncc1)c1noc2c1CCCC2 ZINC000006403078 182387998 /nfs/dbraw/zinc/38/79/98/182387998.db2.gz YZNPTEOEUOXGHQ-UHFFFAOYSA-N 0 0 243.266 2.201 50 0 BEAARN O=C(Nc1ncccc1O)c1cc(Cl)ccn1 ZINC000028024512 182399277 /nfs/dbraw/zinc/39/92/77/182399277.db2.gz WKGYMEWBOFPGND-UHFFFAOYSA-N 0 0 249.657 2.088 50 0 BEAARN O=C(Nc1ncccc1O)[C@@H]1CC=CCC1 ZINC000022262965 182399992 /nfs/dbraw/zinc/39/99/92/182399992.db2.gz UTBLDJJIUZEMHS-SECBINFHSA-N 0 0 218.256 2.082 50 0 BEAARN O=C(Nc1ncccc1Cl)c1cccnc1 ZINC000097046962 182399995 /nfs/dbraw/zinc/39/99/95/182399995.db2.gz FSERHKSXATXEPG-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C([O-])C[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000041261000 182476139 /nfs/dbraw/zinc/47/61/39/182476139.db2.gz WFHMTBADZMIELZ-ZDUSSCGKSA-N 0 0 233.311 2.245 50 0 BEAARN CCNS(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC000013938536 170136961 /nfs/dbraw/zinc/13/69/61/170136961.db2.gz ZDBODMBZWQHRPG-JTQLQIEISA-N 0 0 241.356 2.498 50 0 BEAARN O=C([O-])[C@H]1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000005494856 182533387 /nfs/dbraw/zinc/53/33/87/182533387.db2.gz KPNDMTLVNQVGTD-QWRGUYRKSA-N 0 0 211.305 2.116 50 0 BEAARN O=C(c1ccc(F)cc1)c1ccccn1 ZINC000037463984 182660210 /nfs/dbraw/zinc/66/02/10/182660210.db2.gz FDXVCQMVVSWKLM-UHFFFAOYSA-N 0 0 201.200 2.452 50 0 BEAARN O=C(c1ccccn1)N1CCC[C@H]2CCC[C@H]21 ZINC000089878937 182681674 /nfs/dbraw/zinc/68/16/74/182681674.db2.gz CUHFTDHMAGGXSP-DGCLKSJQSA-N 0 0 230.311 2.486 50 0 BEAARN O=C(c1ccon1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000089885163 182694088 /nfs/dbraw/zinc/69/40/88/182694088.db2.gz CTGCHRKFARXKHM-ONGXEEELSA-N 0 0 220.272 2.079 50 0 BEAARN CCOC(=O)N[C@@H](OCC)c1ccccc1 ZINC000004671482 170243251 /nfs/dbraw/zinc/24/32/51/170243251.db2.gz LJNNZSRYFSUNMJ-NSHDSACASA-N 0 0 223.272 2.468 50 0 BEAARN O=C(c1ccoc1)N(Cc1cccnc1)C1CC1 ZINC000006676331 182692062 /nfs/dbraw/zinc/69/20/62/182692062.db2.gz PBNRBRDOEJNKQL-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN O=C1c2ccccc2N(CC2CCC2)C1=O ZINC000083839465 182713083 /nfs/dbraw/zinc/71/30/83/182713083.db2.gz NLPIYUDVQYVCMP-UHFFFAOYSA-N 0 0 215.252 2.016 50 0 BEAARN O=C1NN[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000000083452 182817123 /nfs/dbraw/zinc/81/71/23/182817123.db2.gz KYCUKDBLOYZMRV-ZIAGYGMSSA-N 0 0 238.290 2.146 50 0 BEAARN O=CNC(=O)C1(c2ccccc2Cl)CCC1 ZINC000044126192 182852889 /nfs/dbraw/zinc/85/28/89/182852889.db2.gz XOUSBACVRBBBIU-UHFFFAOYSA-N 0 0 237.686 2.034 50 0 BEAARN O=CN[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000000253136 182854200 /nfs/dbraw/zinc/85/42/00/182854200.db2.gz SXNGBUUSKYLCEZ-LBPRGKRZSA-N 0 0 232.258 2.430 50 0 BEAARN O=Cc1cccnc1OCCC(F)(F)F ZINC000144886147 182873060 /nfs/dbraw/zinc/87/30/60/182873060.db2.gz HXJBMONFEXJCPC-UHFFFAOYSA-N 0 0 219.162 2.225 50 0 BEAARN CCCCOc1ccc(-c2nc(N)n[nH]2)cc1 ZINC000018178092 168917170 /nfs/dbraw/zinc/91/71/70/168917170.db2.gz HSOXFSFLKFLYKW-UHFFFAOYSA-N 0 0 232.287 2.233 50 0 BEAARN CCCCS(=O)(=O)N[C@H](C)c1ccccc1 ZINC000013938119 168928126 /nfs/dbraw/zinc/92/81/26/168928126.db2.gz AWQHLHWGFPWMMM-LLVKDONJSA-N 0 0 241.356 2.467 50 0 BEAARN O=[S@@](c1ccccc1)N1CCCCC1 ZINC000004656294 182964204 /nfs/dbraw/zinc/96/42/04/182964204.db2.gz LBRJCAJLGAXDKP-CQSZACIVSA-N 0 0 209.314 2.195 50 0 BEAARN O=c1c2ccsc2ccn1C[C@H]1CCOC1 ZINC000096500041 182990184 /nfs/dbraw/zinc/99/01/84/182990184.db2.gz IXNGUNYYTSHCRL-SECBINFHSA-N 0 0 235.308 2.100 50 0 BEAARN O=c1[nH]c2cnccc2n1C1CCCCC1 ZINC000000985444 182976196 /nfs/dbraw/zinc/97/61/96/182976196.db2.gz AHGBRVOHOOUKLV-UHFFFAOYSA-N 0 0 217.272 2.230 50 0 BEAARN O=c1c(-c2ccccc2)c(O)nc2sccn21 ZINC000252509176 182983283 /nfs/dbraw/zinc/98/32/83/182983283.db2.gz YEOYHATVXOOKFF-UHFFFAOYSA-N 0 0 244.275 2.129 50 0 BEAARN O=c1cc(O)nc2scc(-c3ccccc3)n21 ZINC000008694686 182996650 /nfs/dbraw/zinc/99/66/50/182996650.db2.gz VGSYONPCMZLPBZ-UHFFFAOYSA-N 0 0 244.275 2.129 50 0 BEAARN O=c1sc2c(s1)SCOCS2 ZINC000002271107 183013238 /nfs/dbraw/zinc/01/32/38/183013238.db2.gz LDZFSKYPSHWMBE-UHFFFAOYSA-N 0 0 224.353 2.299 50 0 BEAARN O=c1ccccn1CCCOc1ccccc1 ZINC000061111241 183002039 /nfs/dbraw/zinc/00/20/39/183002039.db2.gz AABLJDSDICQVAP-UHFFFAOYSA-N 0 0 229.279 2.317 50 0 BEAARN O=c1ccccn1CCCCNc1ccccn1 ZINC000091462601 183002276 /nfs/dbraw/zinc/00/22/76/183002276.db2.gz QRFMCEQDVUFVPF-UHFFFAOYSA-N 0 0 243.310 2.136 50 0 BEAARN O=c1ccccn1CCCOc1ccc(F)cc1 ZINC000069807936 183002943 /nfs/dbraw/zinc/00/29/43/183002943.db2.gz GPCBWAIGGWHSPY-UHFFFAOYSA-N 0 0 247.269 2.457 50 0 BEAARN O=c1cccnn1CCSc1ccccc1 ZINC000092751820 183003577 /nfs/dbraw/zinc/00/35/77/183003577.db2.gz ITIATZIMSIYHDF-UHFFFAOYSA-N 0 0 232.308 2.036 50 0 BEAARN O=c1ccn(Cc2ccon2)c2ccsc21 ZINC000076065277 183004260 /nfs/dbraw/zinc/00/42/60/183004260.db2.gz JBZPSEJJVKNULQ-UHFFFAOYSA-N 0 0 232.264 2.099 50 0 BEAARN O=c1ccnc(-c2ccccc2Cl)[nH]1 ZINC000036882118 183005407 /nfs/dbraw/zinc/00/54/07/183005407.db2.gz SCXPWJXIJGHBSP-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN O=c1ccsn1-c1ccc(F)cc1F ZINC000012016284 183006214 /nfs/dbraw/zinc/00/62/14/183006214.db2.gz JADAOSXHOPYZFS-UHFFFAOYSA-N 0 0 213.208 2.177 50 0 BEAARN CCCC[C@@H](CC)C(=O)N[C@H](C)COC ZINC000002852137 168954622 /nfs/dbraw/zinc/95/46/22/168954622.db2.gz BHBAUXGHDXYXHR-GHMZBOCLSA-N 0 0 215.337 2.354 50 0 BEAARN O=c1nc(-c2ccc(Cl)cc2)n2cc[nH]cc1-2 ZINC000103099684 183008240 /nfs/dbraw/zinc/00/82/40/183008240.db2.gz UKZOYYWDTIYUCT-UHFFFAOYSA-N 0 0 245.669 2.319 50 0 BEAARN O=c1nc2oc3ccccc3cc-2s1 ZINC000096338462 183011158 /nfs/dbraw/zinc/01/11/58/183011158.db2.gz YLINWDLJLFJQHB-UHFFFAOYSA-N 0 0 203.222 2.354 50 0 BEAARN OCCC12CC=CCC1(CCO)CC=CC2 ZINC000039243989 183044219 /nfs/dbraw/zinc/04/42/19/183044219.db2.gz DRQLTTOZSNJGDR-UHFFFAOYSA-N 0 0 222.328 2.424 50 0 BEAARN OCCCNc1nc2ccccc2s1 ZINC000001886338 183059997 /nfs/dbraw/zinc/05/99/97/183059997.db2.gz ADNDUCNVJUIWSQ-UHFFFAOYSA-N 0 0 208.286 2.091 50 0 BEAARN OCCNc1ccnc2cc(Cl)ccc21 ZINC000002167250 183080820 /nfs/dbraw/zinc/08/08/20/183080820.db2.gz RSYOSUMAMNFKSM-UHFFFAOYSA-N 0 0 222.675 2.292 50 0 BEAARN OCCN(Cc1cncs1)c1ccccc1 ZINC000170608771 183069506 /nfs/dbraw/zinc/06/95/06/183069506.db2.gz VUHLXIHMUBCERL-UHFFFAOYSA-N 0 0 234.324 2.142 50 0 BEAARN CCCC[C@H](CO)NC(=O)OC(C)(C)C ZINC000034199735 169003395 /nfs/dbraw/zinc/00/33/95/169003395.db2.gz KCKPPJXOWKJHDP-SECBINFHSA-N 0 0 217.309 2.062 50 0 BEAARN OC[C@@H]1CCCCN1Cc1c(F)cccc1F ZINC000000214272 183115575 /nfs/dbraw/zinc/11/55/75/183115575.db2.gz OJRHHMJDIOJUSC-JTQLQIEISA-N 0 0 241.281 2.312 50 0 BEAARN OC[C@@H]1CCCCN1Cc1cc(F)ccc1F ZINC000000213050 183116676 /nfs/dbraw/zinc/11/66/76/183116676.db2.gz JQFYVDJAYLMYLN-LBPRGKRZSA-N 0 0 241.281 2.312 50 0 BEAARN OC[C@@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000044272032 183120874 /nfs/dbraw/zinc/12/08/74/183120874.db2.gz KCXQKBGDCIUTTD-QMMMGPOBSA-N 0 0 246.232 2.062 50 0 BEAARN OCCc1noc(C2(c3ccccc3)CCC2)n1 ZINC000097162367 183101506 /nfs/dbraw/zinc/10/15/06/183101506.db2.gz PJVZFWHGRRBPIM-UHFFFAOYSA-N 0 0 244.294 2.074 50 0 BEAARN OC[C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000000393350 183126778 /nfs/dbraw/zinc/12/67/78/183126778.db2.gz MZOHGRLIWWBKAN-SECBINFHSA-N 0 0 201.269 2.265 50 0 BEAARN CCCCc1nnc(NC(=O)C2CC2)s1 ZINC000023361713 169029553 /nfs/dbraw/zinc/02/95/53/169029553.db2.gz RPHOWTBKWPFBEU-UHFFFAOYSA-N 0 0 225.317 2.229 50 0 BEAARN CCCCn1c2ccccc2nc1CCNC=O ZINC000006700926 169033611 /nfs/dbraw/zinc/03/36/11/169033611.db2.gz LALDIMQYVZYXAX-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN OC[C@H]1CCCN1c1ncc(Cl)cc1Cl ZINC000042434691 183151639 /nfs/dbraw/zinc/15/16/39/183151639.db2.gz AWKBGAYTZZQBEU-MRVPVSSYSA-N 0 0 247.125 2.350 50 0 BEAARN OC[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000042434685 183152052 /nfs/dbraw/zinc/15/20/52/183152052.db2.gz ZMQNJFPZLDLYEF-SECBINFHSA-N 0 0 246.232 2.062 50 0 BEAARN OC[C@H]1CCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000095977450 183152497 /nfs/dbraw/zinc/15/24/97/183152497.db2.gz WNWDHPOQAAXGTN-NXEZZACHSA-N 0 0 231.299 2.136 50 0 BEAARN CCCCn1ncnc1-c1ccc(N(C)C)nc1 ZINC000091476543 169039975 /nfs/dbraw/zinc/03/99/75/169039975.db2.gz KRGZVBAHYLSVHP-UHFFFAOYSA-N 0 0 245.330 2.206 50 0 BEAARN OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000003883220 183160299 /nfs/dbraw/zinc/16/02/99/183160299.db2.gz YJIXYDFXXAWEMH-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN OCc1ccc(F)cc1Br ZINC000002567810 183165315 /nfs/dbraw/zinc/16/53/15/183165315.db2.gz XGAMLBPEVCLQEJ-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN O[C@@H](CNc1ncccn1)c1ccc(Cl)cc1 ZINC000040496335 183182005 /nfs/dbraw/zinc/18/20/05/183182005.db2.gz HIFUQMQZLDHTMA-NSHDSACASA-N 0 0 249.701 2.276 50 0 BEAARN OCc1ccc(Oc2ccc(CO)cc2)cc1 ZINC000000410069 183166386 /nfs/dbraw/zinc/16/63/86/183166386.db2.gz VFLRGCHXIWFSGO-UHFFFAOYSA-N 0 0 230.263 2.464 50 0 BEAARN OCc1cnc(C(F)(F)F)cc1Cl ZINC000094986229 183169318 /nfs/dbraw/zinc/16/93/18/183169318.db2.gz JWMIDRQMWQDVEW-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN O[C@@H]1CCC[C@@H]1Nc1cccc(C(F)(F)F)n1 ZINC000097104631 183195985 /nfs/dbraw/zinc/19/59/85/183195985.db2.gz FTIWTPOIIIKYGM-JGVFFNPUSA-N 0 0 246.232 2.426 50 0 BEAARN O[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000038538928 183197945 /nfs/dbraw/zinc/19/79/45/183197945.db2.gz MEBRSZYUCIHFKS-SECBINFHSA-N 0 0 229.682 2.046 50 0 BEAARN O[C@@H]1CCCC[C@H]1Nc1ncnc2ccsc21 ZINC000052007393 183191553 /nfs/dbraw/zinc/19/15/53/183191553.db2.gz AMTKSFGJUZBUDW-PSASIEDQSA-N 0 0 249.339 2.407 50 0 BEAARN O[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000000757519 183191703 /nfs/dbraw/zinc/19/17/03/183191703.db2.gz BCRJNVAVUJIGET-SECBINFHSA-N 0 0 243.709 2.436 50 0 BEAARN O[C@H](CNc1ccccn1)c1ccccc1 ZINC000022910921 183226803 /nfs/dbraw/zinc/22/68/03/183226803.db2.gz ZEAJXCPGHPJVNP-GFCCVEGCSA-N 0 0 214.268 2.227 50 0 in-man BEAARN O[C@H](Nc1nccs1)C(Cl)(Cl)Cl ZINC000001481750 183228474 /nfs/dbraw/zinc/22/84/74/183228474.db2.gz MHDSRPZFJLLBKM-VKHMYHEASA-N 0 0 247.534 2.244 50 0 BEAARN O[C@H](c1nc2ccccc2o1)C(F)(F)F ZINC000008393165 183230045 /nfs/dbraw/zinc/23/00/45/183230045.db2.gz OHOLEPTWLPQYIS-SSDOTTSWSA-N 0 0 217.146 2.424 50 0 BEAARN O[C@H](c1cccnc1)c1cccc(F)c1 ZINC000037464792 183230178 /nfs/dbraw/zinc/23/01/78/183230178.db2.gz OIASQBCUPWJINM-LBPRGKRZSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@H](c1cccnc1)c1ccccc1F ZINC000041211486 183230344 /nfs/dbraw/zinc/23/03/44/183230344.db2.gz NEXWRNHLCALCJW-GFCCVEGCSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@](c1ncc[nH]1)(c1ccccc1)C1CC1 ZINC000328579495 183215401 /nfs/dbraw/zinc/21/54/01/183215401.db2.gz LMZJBIGOXCBDLK-CYBMUJFWSA-N 0 0 214.268 2.056 50 0 BEAARN O[C@@H]1c2ccccc2-c2ccccc2[C@@H]1O ZINC000012339412 183248996 /nfs/dbraw/zinc/24/89/96/183248996.db2.gz MFXNBQWUTDDOKE-OKILXGFUSA-N 0 0 212.248 2.434 50 0 in-vitro BEAARN O[C@H]1CCCC[C@H]1Nc1ncnc2ccsc21 ZINC000052007387 183233580 /nfs/dbraw/zinc/23/35/80/183233580.db2.gz AMTKSFGJUZBUDW-SCZZXKLOSA-N 0 0 249.339 2.407 50 0 BEAARN O[C@H]1CCC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000195575402 183237679 /nfs/dbraw/zinc/23/76/79/183237679.db2.gz BWPFKUINQLEOGW-BDAKNGLRSA-N 0 0 244.241 2.008 50 0 BEAARN O[C@H]1CCCc2[nH]nc(-c3ccccc3)c21 ZINC000066055381 183237719 /nfs/dbraw/zinc/23/77/19/183237719.db2.gz RMWMVRMNFLAFKH-NSHDSACASA-N 0 0 214.268 2.446 50 0 BEAARN Oc1ccc(-n2nc3ccccc3n2)cc1 ZINC000001020713 183266056 /nfs/dbraw/zinc/26/60/56/183266056.db2.gz GOISGGIEHSMSFC-UHFFFAOYSA-N 0 0 211.224 2.126 50 0 BEAARN Oc1ccc(NCn2nnc3ccccc32)cc1 ZINC000000477923 183276938 /nfs/dbraw/zinc/27/69/38/183276938.db2.gz FGZLHPMNJNFFNE-UHFFFAOYSA-N 0 0 240.266 2.207 50 0 BEAARN CCCN(CC1CC1)Cn1ncn(C)c1=S ZINC000003258071 169137879 /nfs/dbraw/zinc/13/78/79/169137879.db2.gz KWROCWBDCNLQQZ-UHFFFAOYSA-N 0 0 240.376 2.031 50 0 BEAARN O=c1cc(Br)[nH]cc1Cl ZINC000072265984 183256868 /nfs/dbraw/zinc/25/68/68/183256868.db2.gz CSRAUIQMWHYTRV-UHFFFAOYSA-N 0 0 208.442 2.203 50 0 BEAARN CCCN(CCC)C(=O)c1cc(C)on1 ZINC000040459457 169144909 /nfs/dbraw/zinc/14/49/09/169144909.db2.gz BZJFAPZMBKFXCA-UHFFFAOYSA-N 0 0 210.277 2.245 50 0 BEAARN O=c1nc(C(F)(F)F)cc(C(F)(F)F)[nH]1 ZINC000094986249 183306354 /nfs/dbraw/zinc/30/63/54/183306354.db2.gz JWPLYXFCYGZTEP-UHFFFAOYSA-N 0 0 232.083 2.220 50 0 BEAARN CCCN(CCO)C(=O)Nc1ccc(C)cc1 ZINC000042239174 169162218 /nfs/dbraw/zinc/16/22/18/169162218.db2.gz MKVKVVDPWJMUHZ-UHFFFAOYSA-N 0 0 236.315 2.231 50 0 BEAARN O=c1[nH]nc2c3cc(F)c(F)cc3[nH]cc1-2 ZINC000019626612 183306733 /nfs/dbraw/zinc/30/67/33/183306733.db2.gz XSRCQLGOQXCMSP-UHFFFAOYSA-N 0 0 221.166 2.095 50 0 BEAARN S=c1[nH]nc(C2CC2)n1Cc1ccco1 ZINC000012484591 183314425 /nfs/dbraw/zinc/31/44/25/183314425.db2.gz YXIWUVAHHVRXPH-UHFFFAOYSA-N 0 0 221.285 2.459 50 0 BEAARN CCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000026822913 169205178 /nfs/dbraw/zinc/20/51/78/169205178.db2.gz WYEGTIGJSHGEID-ZDUSSCGKSA-N 0 0 221.300 2.176 50 0 in-vivo BEAARN S=c1[nH]ncn1CCc1cccs1 ZINC000012505079 183314971 /nfs/dbraw/zinc/31/49/71/183314971.db2.gz XIQUJXDLCFJLFS-UHFFFAOYSA-N 0 0 211.315 2.245 50 0 BEAARN S=c1[nH]nc(N2CCCCC2)n1C1CC1 ZINC000012505168 183315459 /nfs/dbraw/zinc/31/54/59/183315459.db2.gz QFXLWDJVSRBGCI-UHFFFAOYSA-N 0 0 224.333 2.266 50 0 BEAARN CCCN1C(=O)C(=O)c2cc(C)cc(C)c21 ZINC000011692648 169183545 /nfs/dbraw/zinc/18/35/45/169183545.db2.gz LTPRWUGTSUTAOM-UHFFFAOYSA-N 0 0 217.268 2.243 50 0 BEAARN [O-][n+]1ccc2cc(Br)ccc2c1 ZINC000095495975 183318648 /nfs/dbraw/zinc/31/86/48/183318648.db2.gz QNNTUJSIGVWFAS-UHFFFAOYSA-N 0 0 224.057 2.236 50 0 BEAARN [O-][n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000003158756 183318915 /nfs/dbraw/zinc/31/89/15/183318915.db2.gz PDQBWWXQYMHEQU-UHFFFAOYSA-N 0 0 224.263 2.323 50 0 BEAARN [O-][n+]1cccc2ncc3cscc3c21 ZINC000000480994 183319241 /nfs/dbraw/zinc/31/92/41/183319241.db2.gz DCSRUEAKYVWONR-UHFFFAOYSA-N 0 0 202.238 2.083 50 0 BEAARN c1c[nH]c(-c2nc(-c3ccncc3)no2)c1 ZINC000019745298 183323484 /nfs/dbraw/zinc/32/34/84/183323484.db2.gz KPNSNWNDROJELX-UHFFFAOYSA-N 0 0 212.212 2.127 50 0 BEAARN c1cc(-c2noc(CCc3cn[nH]c3)n2)cs1 ZINC000032573467 183333797 /nfs/dbraw/zinc/33/37/97/183333797.db2.gz OSQZXYWGOJWJLX-UHFFFAOYSA-N 0 0 246.295 2.306 50 0 BEAARN O=C1N=NC(c2ccc(C(F)(F)F)cc2)O1 ZINC000034560584 183309297 /nfs/dbraw/zinc/30/92/97/183309297.db2.gz BCRSLAQHKCXLSV-UHFFFAOYSA-N 0 0 230.145 2.461 50 0 BEAARN O=c1[nH]nc(-c2ccccc2)cc1N1CCCC1 ZINC000045921426 183309479 /nfs/dbraw/zinc/30/94/79/183309479.db2.gz JJZYRXOHOKHVBH-UHFFFAOYSA-N 0 0 241.294 2.449 50 0 BEAARN S=C(NC[C@H]1CCCO1)Nc1ccccc1 ZINC000000257998 183311124 /nfs/dbraw/zinc/31/11/24/183311124.db2.gz CMTZABANHATOHB-LLVKDONJSA-N 0 0 236.340 2.152 50 0 BEAARN S=C(NC1CC1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000084525474 183311549 /nfs/dbraw/zinc/31/15/49/183311549.db2.gz CWOPSMMWFMVWTI-VXGBXAGGSA-N 0 0 232.352 2.169 50 0 BEAARN S=C(Nc1cccnc1)N1CCCCC1 ZINC000000111890 183312522 /nfs/dbraw/zinc/31/25/22/183312522.db2.gz KDHFXBVWHXDRJE-UHFFFAOYSA-N 0 0 221.329 2.264 50 0 BEAARN CCCNC(=O)CNc1c(C)cccc1F ZINC000096493877 169228748 /nfs/dbraw/zinc/22/87/48/169228748.db2.gz KLHJAPNUSQFAAD-UHFFFAOYSA-N 0 0 224.279 2.072 50 0 BEAARN CCCNC(=O)CCn1ncc2c1cccc2C ZINC000040758227 169217730 /nfs/dbraw/zinc/21/77/30/169217730.db2.gz LFNZXTMHAPAFFU-UHFFFAOYSA-N 0 0 245.326 2.261 50 0 BEAARN c1n[nH]c2cc(N[C@H]3CCSC3)ccc12 ZINC000004009561 183375759 /nfs/dbraw/zinc/37/57/59/183375759.db2.gz IPGBKRYUCLUVQU-JTQLQIEISA-N 0 0 219.313 2.480 50 0 BEAARN CCCNC(=O)Nc1ccccc1OC ZINC000001739189 169240227 /nfs/dbraw/zinc/24/02/27/169240227.db2.gz IVPSWZAVBZZPOA-UHFFFAOYSA-N 0 0 208.261 2.227 50 0 BEAARN CCCNC(=O)Nc1ccccc1-n1cccn1 ZINC000048152343 169240430 /nfs/dbraw/zinc/24/04/30/169240430.db2.gz SCGXAXAJRIDIOJ-UHFFFAOYSA-N 0 0 244.298 2.404 50 0 BEAARN c1ccc(-c2ccc(N[C@@H]3CCOC3)nn2)cc1 ZINC000032523828 183379374 /nfs/dbraw/zinc/37/93/74/183379374.db2.gz XLDBWBRTTQQEEM-GFCCVEGCSA-N 0 0 241.294 2.344 50 0 BEAARN c1ccc(-c2cnnc(N3CCCC3)n2)cc1 ZINC000000187662 183382602 /nfs/dbraw/zinc/38/26/02/183382602.db2.gz MINIKQRXIPEKKD-UHFFFAOYSA-N 0 0 226.283 2.139 50 0 BEAARN CCCNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000014399718 169247563 /nfs/dbraw/zinc/24/75/63/169247563.db2.gz CTNKPOVUDWIDCA-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN CCCNC(=O)[C@H](CC)Oc1ccccc1 ZINC000004696106 169248813 /nfs/dbraw/zinc/24/88/13/169248813.db2.gz FMTQZZBRSZJVCD-LBPRGKRZSA-N 0 0 221.300 2.370 50 0 BEAARN CCCNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000012535729 169249872 /nfs/dbraw/zinc/24/98/72/169249872.db2.gz QARALMWZYZEMOS-UHFFFAOYSA-N 0 0 229.283 2.217 50 0 BEAARN CCCNC(=O)[C@H]1Cc2ccccc2S1 ZINC000032878776 169249910 /nfs/dbraw/zinc/24/99/10/169249910.db2.gz XFCYHXVNWKPPIV-LLVKDONJSA-N 0 0 221.325 2.230 50 0 BEAARN CCCNC(=O)c1cc2sccc2n1C ZINC000004971197 169250437 /nfs/dbraw/zinc/25/04/37/169250437.db2.gz FABVQFMJQNEURN-UHFFFAOYSA-N 0 0 222.313 2.380 50 0 BEAARN CCCNC(=O)c1cc(Cl)ccc1OC ZINC000005468628 169250479 /nfs/dbraw/zinc/25/04/79/169250479.db2.gz UFTFPZFKCRNLBM-UHFFFAOYSA-N 0 0 227.691 2.488 50 0 BEAARN CCCNC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000008036232 169250535 /nfs/dbraw/zinc/25/05/35/169250535.db2.gz KHMKRMGASIUIEZ-UHFFFAOYSA-N 0 0 241.674 2.209 50 0 BEAARN CCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000012404121 169251325 /nfs/dbraw/zinc/25/13/25/169251325.db2.gz WFLMNSYWCDPOER-UHFFFAOYSA-N 0 0 246.310 2.175 50 0 BEAARN CCCNC(=O)c1ccc(OC)c(OCC)c1 ZINC000009974386 169251976 /nfs/dbraw/zinc/25/19/76/169251976.db2.gz UDCZZCKUYVTUAJ-UHFFFAOYSA-N 0 0 237.299 2.234 50 0 BEAARN CCCNC(=O)c1ccc2c(c1)CCC2 ZINC000012940381 169252235 /nfs/dbraw/zinc/25/22/35/169252235.db2.gz MQLCAUBKNUDSJI-UHFFFAOYSA-N 0 0 203.285 2.315 50 0 BEAARN CCCNC(=O)c1ccc2ccccc2n1 ZINC000009495272 169252761 /nfs/dbraw/zinc/25/27/61/169252761.db2.gz UQWJQEITFAIVIJ-UHFFFAOYSA-N 0 0 214.268 2.375 50 0 BEAARN c1cc(-c2nc(CCc3ccccc3)no2)n[nH]1 ZINC000020204577 183395376 /nfs/dbraw/zinc/39/53/76/183395376.db2.gz AOJKDPUSGZJXSH-UHFFFAOYSA-N 0 0 240.266 2.245 50 0 BEAARN CCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000016578889 169270385 /nfs/dbraw/zinc/27/03/85/169270385.db2.gz DEARNJKOBHEWAQ-UHFFFAOYSA-N 0 0 247.747 2.169 50 0 BEAARN CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000001598994 169272423 /nfs/dbraw/zinc/27/24/23/169272423.db2.gz IQAWZHMVSPVZCM-UHFFFAOYSA-N 0 0 233.720 2.028 50 0 BEAARN CCCNS(=O)(=O)c1ccc(C)cc1Cl ZINC000037022688 169272817 /nfs/dbraw/zinc/27/28/17/169272817.db2.gz XYTINAXAERSBFW-UHFFFAOYSA-N 0 0 247.747 2.337 50 0 BEAARN CCCOC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000033943941 169299123 /nfs/dbraw/zinc/29/91/23/169299123.db2.gz KTFMVDMFVPROET-SNVBAGLBSA-N 0 0 241.331 2.025 50 0 BEAARN CCCOC(=O)[C@H](c1ccccc1)n1cccn1 ZINC000068543001 169300736 /nfs/dbraw/zinc/30/07/36/169300736.db2.gz VDXAMWKKUIJGCR-ZDUSSCGKSA-N 0 0 244.294 2.426 50 0 BEAARN CCC[C@@H](C(=O)N1CC[C@H](CCO)C1)C(C)C ZINC000095979545 169344442 /nfs/dbraw/zinc/34/44/42/169344442.db2.gz IBKNEGULTHTECG-CHWSQXEVSA-N 0 0 241.375 2.290 50 0 BEAARN CCCS(=O)(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000057464771 169333001 /nfs/dbraw/zinc/33/30/01/169333001.db2.gz ZODXDINLKXMRFF-GARJFASQSA-N 0 0 233.377 2.141 50 0 BEAARN CCCSCC(=O)N1CCC[C@H](C)C1 ZINC000048370914 169335904 /nfs/dbraw/zinc/33/59/04/169335904.db2.gz NFWBZRGPAHSZFJ-JTQLQIEISA-N 0 0 215.362 2.388 50 0 BEAARN c1cn(CCOc2ccc3c(c2)CCC3)cn1 ZINC000006701179 183469469 /nfs/dbraw/zinc/46/94/69/183469469.db2.gz JKPIACQQEMBHFB-UHFFFAOYSA-N 0 0 228.295 2.451 50 0 BEAARN CCC[C@@H](C)C(=O)NCc1cccnc1 ZINC000000373356 169351407 /nfs/dbraw/zinc/35/14/07/169351407.db2.gz CCQOVHJFNXRNBE-SNVBAGLBSA-N 0 0 206.289 2.134 50 0 BEAARN CCC[C@@H](C)N(C)C(=O)/C=C/c1cnccn1 ZINC000084740156 169362501 /nfs/dbraw/zinc/36/25/01/169362501.db2.gz RYIXLLPPKHSUDY-XUIVZRPNSA-N 0 0 233.315 2.137 50 0 BEAARN c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 ZINC000096428949 183501401 /nfs/dbraw/zinc/50/14/01/183501401.db2.gz OQRHZXAUNOSHHY-UHFFFAOYSA-N 0 0 238.294 2.176 50 0 BEAARN c1cc(-c2nnc(-c3cccnc3)o2)co1 ZINC000020727698 183489283 /nfs/dbraw/zinc/48/92/83/183489283.db2.gz ILFZWEDGZNBARH-UHFFFAOYSA-N 0 0 213.196 2.392 50 0 BEAARN c1csc(-c2nnc3n2CCCC3)c1 ZINC000257197417 183514858 /nfs/dbraw/zinc/51/48/58/183514858.db2.gz CHJOZCRAMAXIJR-UHFFFAOYSA-N 0 0 205.286 2.343 50 0 BEAARN CC(C)(C)OC(=O)N1CC(c2ccccn2)C1 ZINC000091353130 166645839 /nfs/dbraw/zinc/64/58/39/166645839.db2.gz WOZILFWABRXAFR-UHFFFAOYSA-N 0 0 234.299 2.416 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H](O)C2)C1 ZINC000238790026 166653614 /nfs/dbraw/zinc/65/36/14/166653614.db2.gz MUMPVHCQFGQIKY-ZWNOBZJWSA-N 0 0 241.331 2.158 50 0 BEAARN CCC[C@H](C)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000032768138 169492902 /nfs/dbraw/zinc/49/29/02/169492902.db2.gz WMQZZYADZSJOTQ-GXFFZTMASA-N 0 0 233.311 2.295 50 0 BEAARN CC(C)(C)OC(=O)NCCC(F)(F)F ZINC000074941780 166661205 /nfs/dbraw/zinc/66/12/05/166661205.db2.gz GCJVFCJZMWUURS-UHFFFAOYSA-N 0 0 213.199 2.464 50 0 BEAARN CCOC(=O)CCc1ccc(N)cc1C ZINC000059861343 1172579783 /nfs/dbraw/zinc/57/97/83/1172579783.db2.gz QNSROWXTMDAOSO-UHFFFAOYSA-N 0 0 207.273 2.073 50 0 BEAARN CC(C)(C)OC(=O)Nc1ccc(C(N)=O)cc1 ZINC000047836836 166668974 /nfs/dbraw/zinc/66/89/74/166668974.db2.gz FTMCDNUPDNJJKU-UHFFFAOYSA-N 0 0 236.271 2.133 50 0 BEAARN CC[C@@H]1CCc2c(sc3[nH]cnc(=O)c23)C1 ZINC000000091820 171061108 /nfs/dbraw/zinc/06/11/08/171061108.db2.gz IISIDSUPTWCTIJ-SSDOTTSWSA-N 0 0 234.324 2.500 50 0 BEAARN CCCc1nc2[nH]nc(N)c2c2c1CCCC2 ZINC000004009228 169593092 /nfs/dbraw/zinc/59/30/92/169593092.db2.gz ILRBNIWYTJOMCX-UHFFFAOYSA-N 0 0 230.315 2.371 50 0 BEAARN CCCc1nc2nc(C)cc(Cl)n2n1 ZINC000020851838 169595092 /nfs/dbraw/zinc/59/50/92/169595092.db2.gz QVZNVMWDJSJQFB-UHFFFAOYSA-N 0 0 210.668 2.039 50 0 BEAARN CCCc1nnc(SCc2ccccc2)n1N ZINC000000130935 169599651 /nfs/dbraw/zinc/59/96/51/169599651.db2.gz MPLDRWWWQROKJH-UHFFFAOYSA-N 0 0 248.355 2.237 50 0 BEAARN CCCn1c(=O)onc1-c1ccccc1C ZINC000060349892 169610115 /nfs/dbraw/zinc/61/01/15/169610115.db2.gz FYWNOODOBWCECN-UHFFFAOYSA-N 0 0 218.256 2.222 50 0 BEAARN CC(C)(C)SCCNC(=O)c1ccc[nH]1 ZINC000066738367 166690324 /nfs/dbraw/zinc/69/03/24/166690324.db2.gz HEVAZVVNTCYVFQ-UHFFFAOYSA-N 0 0 226.345 2.276 50 0 BEAARN CCCn1nnnc1NCc1sccc1C ZINC000007263292 169628593 /nfs/dbraw/zinc/62/85/93/169628593.db2.gz JQPQVLGVTQSPQJ-UHFFFAOYSA-N 0 0 237.332 2.065 50 0 BEAARN CCN(C(=O)Cn1ccc(C)n1)c1ccccc1 ZINC000133958779 169639932 /nfs/dbraw/zinc/63/99/32/169639932.db2.gz TWXARUNRMKFVLT-UHFFFAOYSA-N 0 0 243.310 2.245 50 0 BEAARN CCN(C(=O)N(C)C[C@H]1CCCCO1)C(C)C ZINC000097141728 169640021 /nfs/dbraw/zinc/64/00/21/169640021.db2.gz QHBYICHUCUHFNO-GFCCVEGCSA-N 0 0 242.363 2.338 50 0 BEAARN C[C@@H]1Cn2c(nnc2C(=O)c2ccccc2)S1 ZINC000000109406 383827645 /nfs/dbraw/zinc/82/76/45/383827645.db2.gz NCUAZNBOULEUMH-MRVPVSSYSA-N 0 0 245.307 2.003 50 0 BEAARN Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1 ZINC000000001279 383818030 /nfs/dbraw/zinc/81/80/30/383818030.db2.gz ARGDYOIRHYLIMT-UHFFFAOYSA-N 0 0 240.111 2.293 50 0 in-man BEAARN O=Cc1coc2ccc(Cl)cc2c1=O ZINC000000057931 383821976 /nfs/dbraw/zinc/82/19/76/383821976.db2.gz LIGLNCRTMDRUAO-UHFFFAOYSA-N 0 0 208.600 2.259 50 0 BEAARN O=C1c2ccccc2C(=O)N1Nc1ccccc1 ZINC000000064621 383822073 /nfs/dbraw/zinc/82/20/73/383822073.db2.gz SRSOPFHQIAZPOL-UHFFFAOYSA-N 0 0 238.246 2.310 50 0 BEAARN Cc1c(C)c(-c2cccs2)n[nH]c1=O ZINC000000078720 383823124 /nfs/dbraw/zinc/82/31/24/383823124.db2.gz DTELMYOJQLWFDA-UHFFFAOYSA-N 0 0 206.270 2.115 50 0 BEAARN COC(=O)COc1ccc(Br)cc1 ZINC000000080649 383823748 /nfs/dbraw/zinc/82/37/48/383823748.db2.gz UDAVOUGCAYAMAU-UHFFFAOYSA-N 0 0 245.072 2.001 50 0 BEAARN CCc1cc(Br)ccc1NN ZINC000000088611 383823784 /nfs/dbraw/zinc/82/37/84/383823784.db2.gz JWKDEJOHJDJLFZ-UHFFFAOYSA-N 0 0 215.094 2.297 50 0 BEAARN CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000000099486 383826592 /nfs/dbraw/zinc/82/65/92/383826592.db2.gz QLDJXEMIAHBMSS-UHFFFAOYSA-N 0 0 229.279 2.414 50 0 BEAARN COc1cc(N)ccc1NC(=O)c1ccco1 ZINC000000157387 383836307 /nfs/dbraw/zinc/83/63/07/383836307.db2.gz CMHQZTVPXAZJJR-UHFFFAOYSA-N 0 0 232.239 2.123 50 0 BEAARN COC(=O)c1ccccc1-n1cccc1 ZINC000000159198 383836376 /nfs/dbraw/zinc/83/63/76/383836376.db2.gz KUEYSLOCROREKF-UHFFFAOYSA-N 0 0 201.225 2.264 50 0 BEAARN COC(=O)c1ccccc1Br ZINC000000162645 383836644 /nfs/dbraw/zinc/83/66/44/383836644.db2.gz SWGQITQOBPXVRC-UHFFFAOYSA-N 0 0 215.046 2.236 50 0 BEAARN CCC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000000171183 383839431 /nfs/dbraw/zinc/83/94/31/383839431.db2.gz ZUNXHUPAUYHHBT-JTQLQIEISA-N 0 0 234.324 2.076 50 0 BEAARN COc1c(Cl)ncc(Cl)c1C=O ZINC000066054410 383844651 /nfs/dbraw/zinc/84/46/51/383844651.db2.gz NWRASMAEBDJTOV-UHFFFAOYSA-N 0 0 206.028 2.210 50 0 BEAARN COC(=O)Nc1cc(C)nc2ccccc21 ZINC000000205260 383845426 /nfs/dbraw/zinc/84/54/26/383845426.db2.gz BJJKMYVRZFCFFT-UHFFFAOYSA-N 0 0 216.240 2.143 50 0 BEAARN C/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000240306 383845503 /nfs/dbraw/zinc/84/55/03/383845503.db2.gz OXVQGGGIMGHRPQ-ONEGZZNKSA-N 0 0 218.256 2.160 50 0 BEAARN Cc1cc(C)cc(C(=O)Nc2cn[nH]c2)c1 ZINC000035237579 383845861 /nfs/dbraw/zinc/84/58/61/383845861.db2.gz HKGDLYONPFBRHY-UHFFFAOYSA-N 0 0 215.256 2.279 50 0 BEAARN Cc1cc(C)c2c(c1)O[C@](O)(C(F)F)CC2=O ZINC000000236268 383845922 /nfs/dbraw/zinc/84/59/22/383845922.db2.gz KTGDBOSVPWIRTE-LBPRGKRZSA-N 0 0 242.221 2.222 50 0 BEAARN Cc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000000291336 383850515 /nfs/dbraw/zinc/85/05/15/383850515.db2.gz LHTYRGYIAAYGIU-UHFFFAOYSA-N 0 0 247.323 2.418 50 0 BEAARN COC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000000307063 383853186 /nfs/dbraw/zinc/85/31/86/383853186.db2.gz ZTZGPRGMVPGQSW-UHFFFAOYSA-N 0 0 230.267 2.276 50 0 BEAARN CS(=O)(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000304570 383853772 /nfs/dbraw/zinc/85/37/72/383853772.db2.gz VLHMUTDVVYTQDE-UHFFFAOYSA-N 0 0 240.111 2.365 50 0 BEAARN CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345789 383856430 /nfs/dbraw/zinc/85/64/30/383856430.db2.gz ISECDCWBPMVGJG-RYUDHWBXSA-N 0 0 247.294 2.213 50 0 BEAARN CC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000000392380 383861121 /nfs/dbraw/zinc/86/11/21/383861121.db2.gz WGHROLNIFFZEQJ-UHFFFAOYSA-N 0 0 226.663 2.257 50 0 BEAARN Cc1nnc2sc(Cc3ccccc3)nn12 ZINC000000385111 383862024 /nfs/dbraw/zinc/86/20/24/383862024.db2.gz DYNRMQMRAFYSEY-UHFFFAOYSA-N 0 0 230.296 2.085 50 0 BEAARN O=Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000000381012 383862046 /nfs/dbraw/zinc/86/20/46/383862046.db2.gz BFMGNLHCLPBIHN-UHFFFAOYSA-N 0 0 235.626 2.429 50 0 BEAARN Cc1nc(Cl)nn1Cc1ccccc1 ZINC000066442599 383863746 /nfs/dbraw/zinc/86/37/46/383863746.db2.gz MVFBNSLNFBAYSD-UHFFFAOYSA-N 0 0 207.664 2.288 50 0 BEAARN CC(C)c1ccccc1NS(=O)(=O)N(C)C ZINC000000443736 383867915 /nfs/dbraw/zinc/86/79/15/383867915.db2.gz HDYXVSVMSCXAJP-UHFFFAOYSA-N 0 0 242.344 2.028 50 0 BEAARN CC(=O)CC(=O)Nc1cc(C)ccc1C ZINC000000449394 383868172 /nfs/dbraw/zinc/86/81/72/383868172.db2.gz RYPZJWMUMBWFHP-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN CCC(=O)NC(=S)Nc1ccc(CC)cc1 ZINC000000455848 383869608 /nfs/dbraw/zinc/86/96/08/383869608.db2.gz NQXXUWZEHRCPIR-UHFFFAOYSA-N 0 0 236.340 2.472 50 0 BEAARN c1ccc2[nH]c(NC[C@H]3CCCO3)nc2c1 ZINC000000513002 383871317 /nfs/dbraw/zinc/87/13/17/383871317.db2.gz RNSADKGYHJDRMW-SECBINFHSA-N 0 0 217.272 2.154 50 0 BEAARN CCc1ccccc1NC(=O)CC(C)=O ZINC000000561089 383875164 /nfs/dbraw/zinc/87/51/64/383875164.db2.gz BSGZZIRKDQLKBD-UHFFFAOYSA-N 0 0 205.257 2.167 50 0 BEAARN CCC[C@H](C)NC(=O)[C@H]1COc2ccccc2O1 ZINC000000562988 383875301 /nfs/dbraw/zinc/87/53/01/383875301.db2.gz JWRKAQPOAMYJPL-GXFFZTMASA-N 0 0 249.310 2.131 50 0 BEAARN CCOCCOC(=O)Nc1ccccc1 ZINC000002171159 383877889 /nfs/dbraw/zinc/87/78/89/383877889.db2.gz LMORVFAQWGVOOC-UHFFFAOYSA-N 0 0 209.245 2.272 50 0 BEAARN Cc1cc(Cl)cc(Cl)c1C(N)=O ZINC000000153309 383832794 /nfs/dbraw/zinc/83/27/94/383832794.db2.gz VFEDGRKNPQMLEP-UHFFFAOYSA-N 0 0 204.056 2.401 50 0 BEAARN c1ccc(NC[C@@H]2COc3ccccc3O2)nc1 ZINC000000206938 383908993 /nfs/dbraw/zinc/90/89/93/383908993.db2.gz YMQBJGTZQCKUSC-LLVKDONJSA-N 0 0 242.278 2.334 50 0 BEAARN CCCCOC(=O)[C@H](O)c1ccccc1 ZINC000001598999 383910036 /nfs/dbraw/zinc/91/00/36/383910036.db2.gz QLVXFMSPNHAPMO-LLVKDONJSA-N 0 0 208.257 2.063 50 0 BEAARN Cc1n[nH]cc1CNc1cccc(F)c1 ZINC000036901506 383916004 /nfs/dbraw/zinc/91/60/04/383916004.db2.gz YKOOBINOZGPYTR-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN CC(=O)OC/C(C)=C/C[C@H](C)COC(C)=O ZINC000001631200 383916056 /nfs/dbraw/zinc/91/60/56/383916056.db2.gz WJQFKEKGHLXYOP-CYNRKNSPSA-N 0 0 228.288 2.085 50 0 BEAARN Clc1nc(Br)[n-]c1Cl ZINC000001757466 383935346 /nfs/dbraw/zinc/93/53/46/383935346.db2.gz SULQOTGFPPFUMG-UHFFFAOYSA-N 0 0 215.865 2.479 50 0 BEAARN c1c(CSc2ccccn2)nc2ncccn12 ZINC000000079683 383929639 /nfs/dbraw/zinc/92/96/39/383929639.db2.gz XQBOFUVHPKUYNZ-UHFFFAOYSA-N 0 0 242.307 2.417 50 0 BEAARN COc1cc(-c2cc[nH]n2)ccc1NC(C)=O ZINC000067654762 383931605 /nfs/dbraw/zinc/93/16/05/383931605.db2.gz DRASTJHKCNDVPW-UHFFFAOYSA-N 0 0 231.255 2.044 50 0 BEAARN CCc1ccc(OCC(=O)NCC(C)C)cc1 ZINC000000858526 383883066 /nfs/dbraw/zinc/88/30/66/383883066.db2.gz QQTWUHYSASGICG-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN Cc1ccc(OCC(=O)NC(C)C)cc1C ZINC000000859992 383883596 /nfs/dbraw/zinc/88/35/96/383883596.db2.gz HNWYUTDOFPDNDI-UHFFFAOYSA-N 0 0 221.300 2.207 50 0 BEAARN CC(=O)C(C)(C)OC(=O)NCc1cccs1 ZINC000001042566 383886711 /nfs/dbraw/zinc/88/67/11/383886711.db2.gz ACCPETBMTXYDDD-UHFFFAOYSA-N 0 0 241.312 2.342 50 0 BEAARN Cc1noc(C)c1C(=O)NCc1ccccc1F ZINC000001056379 383888540 /nfs/dbraw/zinc/88/85/40/383888540.db2.gz XLJWBGNYEUPXCN-UHFFFAOYSA-N 0 0 248.257 2.361 50 0 BEAARN C[NH2+][C@H]1c2c(ccc3ccccc32)OC[C@H]1CO ZINC000001387497 383896788 /nfs/dbraw/zinc/89/67/88/383896788.db2.gz AXSNSIOPEKUXAM-IAQYHMDHSA-N 0 0 243.306 2.101 50 0 BEAARN CC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000036439325 383901511 /nfs/dbraw/zinc/90/15/11/383901511.db2.gz CKHYGWMWQKVMQE-SNVBAGLBSA-N 0 0 227.304 2.365 50 0 BEAARN CC[C@@H](NC(=O)CCC(=O)OC)c1ccccc1 ZINC000036562632 383903217 /nfs/dbraw/zinc/90/32/17/383903217.db2.gz OPBWCBBFIJFRKO-GFCCVEGCSA-N 0 0 249.310 2.207 50 0 BEAARN Nc1nn(Cc2ccccc2F)cc1Cl ZINC000002578491 383977818 /nfs/dbraw/zinc/97/78/18/383977818.db2.gz XNJBUYVBLBDEAY-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN CC(=O)c1cccnc1Br ZINC000002599172 383981198 /nfs/dbraw/zinc/98/11/98/383981198.db2.gz VYJZSPNXTDPUJW-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN Cc1ccc(CN(C)c2nnc(C)s2)o1 ZINC000089656005 383984149 /nfs/dbraw/zinc/98/41/49/383984149.db2.gz NNNNIAOFMRYUAE-UHFFFAOYSA-N 0 0 223.301 2.384 50 0 BEAARN Cc1cc(I)c(C)cc1N ZINC000002727359 383984346 /nfs/dbraw/zinc/98/43/46/383984346.db2.gz JIJNBUOAWDGTHA-UHFFFAOYSA-N 0 0 247.079 2.490 50 0 BEAARN CN(C)c1cccc(CN(C)c2ncccn2)c1 ZINC000269262636 383993515 /nfs/dbraw/zinc/99/35/15/383993515.db2.gz ATNBQVLYFPQUDW-UHFFFAOYSA-N 0 0 242.326 2.179 50 0 BEAARN c1cncc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000089794019 383998415 /nfs/dbraw/zinc/99/84/15/383998415.db2.gz FROCHSJPEKNJHY-UONOGXRCSA-N 0 0 232.327 2.225 50 0 BEAARN CC(C)CCOC(=O)[C@H](O)c1ccccc1 ZINC000001874319 383941410 /nfs/dbraw/zinc/94/14/10/383941410.db2.gz KQQXUARABJGCMS-GFCCVEGCSA-N 0 0 222.284 2.309 50 0 BEAARN C=CC(=O)OCCCCCCOC(=O)C=C ZINC000002019846 383942884 /nfs/dbraw/zinc/94/28/84/383942884.db2.gz FIHBHSQYSYVZQE-UHFFFAOYSA-N 0 0 226.272 2.005 50 0 BEAARN Cc1ccoc1C(=O)Nc1cnc2n1CCCC2 ZINC000067788004 383947987 /nfs/dbraw/zinc/94/79/87/383947987.db2.gz AODPZCJCFUYSEJ-UHFFFAOYSA-N 0 0 245.282 2.373 50 0 BEAARN C[NH2+][C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000037181109 383953951 /nfs/dbraw/zinc/95/39/51/383953951.db2.gz MXHDCYQZOMUTHP-MRVPVSSYSA-N 0 0 233.189 2.051 50 0 BEAARN O=C([C@H]1CCCCC1(F)F)N1CC2(CC2)C1 ZINC000334829966 383965300 /nfs/dbraw/zinc/96/53/00/383965300.db2.gz UCWHEQXOLDEHDE-SECBINFHSA-N 0 0 229.270 2.434 50 0 BEAARN CC(C)(C)c1cc(N)n(-c2ccccn2)n1 ZINC000037291285 383966719 /nfs/dbraw/zinc/96/67/19/383966719.db2.gz GUULKYKPJKFSFK-UHFFFAOYSA-N 0 0 216.288 2.147 50 0 BEAARN O=Cc1cccn1-c1ccc2c(c1)OCO2 ZINC000002505767 383966942 /nfs/dbraw/zinc/96/69/42/383966942.db2.gz NNKANGSJBQWJSD-UHFFFAOYSA-N 0 0 215.208 2.019 50 0 BEAARN C[C@H]1C(=O)CCN(Cc2ccco2)[C@H]1C ZINC000002510513 383969455 /nfs/dbraw/zinc/96/94/55/383969455.db2.gz JTDIADXWGUFCRY-ZJUUUORDSA-N 0 0 207.273 2.079 50 0 BEAARN O=C([O-])C1CC[NH+](Cc2ccsc2)CC1 ZINC000003747782 384026993 /nfs/dbraw/zinc/02/69/93/384026993.db2.gz NJHMALTXVBIZMY-UHFFFAOYSA-N 0 0 225.313 2.045 50 0 BEAARN O=C([O-])C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000003747663 384026137 /nfs/dbraw/zinc/02/61/37/384026137.db2.gz PSJJEFFBTUTEBB-UHFFFAOYSA-N 0 0 237.274 2.122 50 0 BEAARN O=C(c1ccccc1F)N1CCOC[C@H]1C1CC1 ZINC000089971467 384014987 /nfs/dbraw/zinc/01/49/87/384014987.db2.gz IQNVWZOUOJEFAQ-ZDUSSCGKSA-N 0 0 249.285 2.077 50 0 BEAARN Nn1c(CCC2CCCCC2)n[nH]c1=S ZINC000004200471 384044688 /nfs/dbraw/zinc/04/46/88/384044688.db2.gz NWSWDTUUCNXFBD-UHFFFAOYSA-N 0 0 226.349 2.167 50 0 BEAARN COC(=O)[C@H](OC)c1c(O)ccc2ccccc21 ZINC000003884048 384031331 /nfs/dbraw/zinc/03/13/31/384031331.db2.gz PUNFRYALCFFYAM-CYBMUJFWSA-N 0 0 246.262 2.406 50 0 BEAARN O=S(=O)(Cc1ccccc1)Nc1ccncc1 ZINC000003876548 384031943 /nfs/dbraw/zinc/03/19/43/384031943.db2.gz DEVQRSPAUNGQBG-UHFFFAOYSA-N 0 0 248.307 2.024 50 0 BEAARN COC(=O)c1cc(Br)cc(C)c1N ZINC000003883442 384032137 /nfs/dbraw/zinc/03/21/37/384032137.db2.gz NVJKMGDNYCDLGR-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN CC(=O)Nc1cc(-c2csc(N)n2)ccc1O ZINC000003888947 384033655 /nfs/dbraw/zinc/03/36/55/384033655.db2.gz HCYCFCBZPVGADV-UHFFFAOYSA-N 0 0 249.295 2.056 50 0 BEAARN O=C(CC1C(=O)CCCC1=O)c1ccccc1 ZINC000004023617 384036270 /nfs/dbraw/zinc/03/62/70/384036270.db2.gz WSNOLZLBCHNPDH-UHFFFAOYSA-N 0 0 230.263 2.198 50 0 BEAARN c1ccc2c(c1)ccc1c2[C@@H]2NOC[C@@H]2CO1 ZINC000004040064 384037896 /nfs/dbraw/zinc/03/78/96/384037896.db2.gz QAXKEZGOMLRGLA-IINYFYTJSA-N 0 0 227.263 2.424 50 0 BEAARN c1nc2ncnc(Nc3ccccc3)c2[nH]1 ZINC000004059871 384038084 /nfs/dbraw/zinc/03/80/84/384038084.db2.gz WCZNSRQVTJYMRQ-UHFFFAOYSA-N 0 0 211.228 2.097 50 0 in-vitro BEAARN CC/[S@@](C)=N\S(=O)(=O)c1ccc(C)cc1 ZINC000004128509 384041345 /nfs/dbraw/zinc/04/13/45/384041345.db2.gz USNXUFABGLAYRU-AWEZNQCLSA-N 0 0 245.369 2.135 50 0 BEAARN Nc1nnc(Cc2nc3ccccc3s2)s1 ZINC000004129787 384041432 /nfs/dbraw/zinc/04/14/32/384041432.db2.gz OBZFZVAGLQKDRD-UHFFFAOYSA-N 0 0 248.336 2.321 50 0 BEAARN COC(=O)c1c(C)n[nH]c1COc1ccccc1 ZINC000004339052 384057587 /nfs/dbraw/zinc/05/75/87/384057587.db2.gz SDTLSKBLRRFPEG-UHFFFAOYSA-N 0 0 246.266 2.084 50 0 BEAARN COc1cccc(NC(=O)C(C)(C)C)n1 ZINC000004352691 384059236 /nfs/dbraw/zinc/05/92/36/384059236.db2.gz TZEDXSWGTZESPO-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN CCNC(=O)N1CCCN(C)c2ccccc21 ZINC000257185443 384062827 /nfs/dbraw/zinc/06/28/27/384062827.db2.gz JNJOUASHEMNOGN-UHFFFAOYSA-N 0 0 233.315 2.062 50 0 BEAARN O=C1Nc2ccc(Cl)c(Cl)c2C1=O ZINC000004530445 384066963 /nfs/dbraw/zinc/06/69/63/384066963.db2.gz WWSWHYAXEFLETD-UHFFFAOYSA-N 0 0 216.023 2.128 50 0 in-vivo BEAARN COc1ccc([C@H](C)n2nccc2N)cc1OC ZINC000004575259 384070447 /nfs/dbraw/zinc/07/04/47/384070447.db2.gz IXEBHRLINODWNZ-VIFPVBQESA-N 0 0 247.298 2.092 50 0 BEAARN CCOC[C@H](O)COc1c(C)cccc1Cl ZINC000225570789 384073394 /nfs/dbraw/zinc/07/33/94/384073394.db2.gz DWBDNHVZFATHNV-JTQLQIEISA-N 0 0 244.718 2.425 50 0 BEAARN C[C@@H](NC(=O)CCc1ccccc1)[C@@H]1CCCO1 ZINC000004750095 384080044 /nfs/dbraw/zinc/08/00/44/384080044.db2.gz MSYYKCYKMWGJIK-OCCSQVGLSA-N 0 0 247.338 2.303 50 0 BEAARN CC(=O)c1ccc(C(F)(F)F)cc1N ZINC000038339228 384081151 /nfs/dbraw/zinc/08/11/51/384081151.db2.gz ALHLVWOGPMHZHJ-UHFFFAOYSA-N 0 0 203.163 2.490 50 0 BEAARN C[C@@H]1C[C@H]1COC(=O)c1ccnc(F)c1 ZINC000071803626 384103615 /nfs/dbraw/zinc/10/36/15/384103615.db2.gz OQXFFLQCCBMQSL-APPZFPTMSA-N 0 0 209.220 2.034 50 0 BEAARN COc1cc(C)c(Br)cc1N ZINC000039109754 384106903 /nfs/dbraw/zinc/10/69/03/384106903.db2.gz CQTXKFAOECJJFM-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN CCOc1c(Cl)ccc(CO)c1F ZINC000091251984 384110178 /nfs/dbraw/zinc/11/01/78/384110178.db2.gz KEZBCIIBPSEUHP-UHFFFAOYSA-N 0 0 204.628 2.370 50 0 BEAARN CCCCNC(=S)NC(=O)c1ccccc1 ZINC000005523516 384118697 /nfs/dbraw/zinc/11/86/97/384118697.db2.gz YJBJLELTANNVNB-UHFFFAOYSA-N 0 0 236.340 2.091 50 0 BEAARN CCCCNC(=O)[C@@H](C)Oc1ccccc1 ZINC000005419771 384115964 /nfs/dbraw/zinc/11/59/64/384115964.db2.gz VKLGBMPMXLSORW-LLVKDONJSA-N 0 0 221.300 2.370 50 0 BEAARN COc1ccc(Cn2cccc2C=O)cc1 ZINC000004992791 384093760 /nfs/dbraw/zinc/09/37/60/384093760.db2.gz VIIJCYZYIPQWTD-UHFFFAOYSA-N 0 0 215.252 2.358 50 0 BEAARN CC[C@@H](CO)[NH2+]Cc1c(F)cccc1Cl ZINC000005907661 384136731 /nfs/dbraw/zinc/13/67/31/384136731.db2.gz DUAXRDVUQGOPLR-QMMMGPOBSA-N 0 0 231.698 2.340 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(=C[N+](=O)[O-])CC1 ZINC000091353273 384120908 /nfs/dbraw/zinc/12/09/08/384120908.db2.gz RFBSOMYZEDNYCW-UHFFFAOYSA-N 0 0 242.275 2.178 50 0 BEAARN c1cn(Cc2ccc3ccccc3c2)nn1 ZINC000128065247 384137677 /nfs/dbraw/zinc/13/76/77/384137677.db2.gz QXIXEGWHVPJFFI-UHFFFAOYSA-N 0 0 209.252 2.480 50 0 BEAARN Cc1ccc(OCCNC(=O)C(C)C)cc1 ZINC000005814503 384128921 /nfs/dbraw/zinc/12/89/21/384128921.db2.gz QVCKQAKFGOHMLR-UHFFFAOYSA-N 0 0 221.300 2.146 50 0 BEAARN CC(=O)c1cc2ccc(C)cc2oc1=O ZINC000005782186 384130589 /nfs/dbraw/zinc/13/05/89/384130589.db2.gz UBRNWFAJPPGJGV-UHFFFAOYSA-N 0 0 202.209 2.304 50 0 BEAARN COC(=O)c1cc(-c2ccc(N(C)C)cc2)no1 ZINC000000376589 384152007 /nfs/dbraw/zinc/15/20/07/384152007.db2.gz ORWDZGIBELNFNW-UHFFFAOYSA-N 0 0 246.266 2.194 50 0 BEAARN Ic1cccc2c1OCO2 ZINC000040443191 384152338 /nfs/dbraw/zinc/15/23/38/384152338.db2.gz NEMFWXWQUHOSSH-UHFFFAOYSA-N 0 0 248.019 2.020 50 0 BEAARN C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)[O-])C1 ZINC000237357084 384156370 /nfs/dbraw/zinc/15/63/70/384156370.db2.gz HFCYYZNEMJZRDH-BXKDBHETSA-N 0 0 237.274 2.293 50 0 BEAARN Nc1ncc2cccc(C(F)(F)F)c2n1 ZINC000071257109 384156898 /nfs/dbraw/zinc/15/68/98/384156898.db2.gz HIFPMNPSTKBBQI-UHFFFAOYSA-N 0 0 213.162 2.231 50 0 BEAARN Cc1ccc2nc(-c3cccnc3)[nH]c2n1 ZINC000071257698 384157269 /nfs/dbraw/zinc/15/72/69/384157269.db2.gz JEBFETUFCIHBDB-UHFFFAOYSA-N 0 0 210.240 2.328 50 0 BEAARN CN(Cc1nccn1C)c1ccccc1 ZINC000070922133 384140659 /nfs/dbraw/zinc/14/06/59/384140659.db2.gz HCWGGGQEWXDXBC-UHFFFAOYSA-N 0 0 201.273 2.057 50 0 BEAARN S=C1N=NC(Cc2ccc(Cl)cc2)N1 ZINC000006535788 384157851 /nfs/dbraw/zinc/15/78/51/384157851.db2.gz MOLLSIZVSZCIOU-UHFFFAOYSA-N 0 0 225.704 2.338 50 0 BEAARN Fc1ccc2oc(N3CCCO3)nc2c1 ZINC000097373494 384175859 /nfs/dbraw/zinc/17/58/59/384175859.db2.gz NUILDHGPXCMUSF-UHFFFAOYSA-N 0 0 208.192 2.109 50 0 BEAARN O=C(COCC1CC1)OC1CCCCC1 ZINC000097363918 384160448 /nfs/dbraw/zinc/16/04/48/384160448.db2.gz BROAYOSSURBRAT-UHFFFAOYSA-N 0 0 212.289 2.289 50 0 BEAARN CCn1ccc(C(=O)N[C@H](C)c2ccccc2)n1 ZINC000006728338 384165156 /nfs/dbraw/zinc/16/51/56/384165156.db2.gz SPHFUZQZFXPBBQ-LLVKDONJSA-N 0 0 243.310 2.394 50 0 BEAARN Cc1ccc(NC(=O)NCc2ccccn2)nc1 ZINC000097372802 384176936 /nfs/dbraw/zinc/17/69/36/384176936.db2.gz XOYZHQTXVFBRNK-UHFFFAOYSA-N 0 0 242.282 2.107 50 0 BEAARN CC(C)(O)c1cncc(Br)c1 ZINC000071773634 384177583 /nfs/dbraw/zinc/17/75/83/384177583.db2.gz BTIWBTYSCGIKRO-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 BEAARN CC(=O)/N=c1/scc(-c2ccccc2)n1C ZINC000071775442 384178142 /nfs/dbraw/zinc/17/81/42/384178142.db2.gz QKVZHEBXQZDKHX-OUKQBFOZSA-N 0 0 232.308 2.201 50 0 BEAARN CCCCC[C@@H](C(C)=O)n1nc(C)ccc1=O ZINC000071773414 384178182 /nfs/dbraw/zinc/17/81/82/384178182.db2.gz DBBHILAMXCQEHQ-LBPRGKRZSA-N 0 0 236.315 2.262 50 0 BEAARN CS[C@@H](C)CNC(=O)Nc1ccncc1F ZINC000097376674 384182389 /nfs/dbraw/zinc/18/23/89/384182389.db2.gz FNCXLOGKCXFCEM-ZETCQYMHSA-N 0 0 243.307 2.094 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)Nc1cccnc1 ZINC000048683054 384182472 /nfs/dbraw/zinc/18/24/72/384182472.db2.gz ANEMXEUFMKRQQX-UHFFFAOYSA-N 0 0 231.259 2.066 50 0 BEAARN CON(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000097402924 384201918 /nfs/dbraw/zinc/20/19/18/384201918.db2.gz ITNPKUYNWKBAAX-SFYZADRCSA-N 0 0 239.237 2.375 50 0 BEAARN O=c1[nH]cnc2c(Cl)cc(Cl)cc12 ZINC000008615812 384205654 /nfs/dbraw/zinc/20/56/54/384205654.db2.gz HANVOKUBLRBUHS-UHFFFAOYSA-N 0 0 215.039 2.230 50 0 BEAARN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC1CC1 ZINC000008648050 384206937 /nfs/dbraw/zinc/20/69/37/384206937.db2.gz CPDTUQALHWJUAZ-UHFFFAOYSA-N 0 0 241.294 2.093 50 0 BEAARN CONC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000071915878 384190961 /nfs/dbraw/zinc/19/09/61/384190961.db2.gz RWRLPWVOSOCGRT-STQMWFEESA-N 0 0 248.326 2.258 50 0 BEAARN Cc1cc(-c2cc(N)nc3[nH]ccc32)cnc1N ZINC000072164482 384197341 /nfs/dbraw/zinc/19/73/41/384197341.db2.gz KNUSVNZFDKVRKR-UHFFFAOYSA-N 0 0 239.282 2.098 50 0 BEAARN O=Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC000042684248 384237697 /nfs/dbraw/zinc/23/76/97/384237697.db2.gz YRLOTOVVZIPPHC-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN COC(=O)c1c(=O)[nH]c2ccccc2c1C(C)C ZINC000008715652 384212442 /nfs/dbraw/zinc/21/24/42/384212442.db2.gz YDAHFRNLBTZUBN-UHFFFAOYSA-N 0 0 245.278 2.438 50 0 BEAARN Cc1cccc(NC(=O)c2ccccc2O)n1 ZINC000008737826 384215525 /nfs/dbraw/zinc/21/55/25/384215525.db2.gz XRDUAVVDRJODBL-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN CCc1ccc(NC(=O)c2ncccn2)cc1 ZINC000072441528 384223929 /nfs/dbraw/zinc/22/39/29/384223929.db2.gz IHVIFBIWHOOPEJ-UHFFFAOYSA-N 0 0 227.267 2.291 50 0 BEAARN Cc1cnccc1NC(=O)C(C)(C)C(F)F ZINC000336452669 384229132 /nfs/dbraw/zinc/22/91/32/384229132.db2.gz JZAQRCOBQXHYQJ-UHFFFAOYSA-N 0 0 228.242 2.042 50 0 BEAARN CC(C)C[C@@H](C(=O)Nc1cn[nH]c1)n1cccc1 ZINC000409414472 384268584 /nfs/dbraw/zinc/26/85/84/384268584.db2.gz RHTRREOWUHBPEN-LBPRGKRZSA-N 0 0 246.314 2.437 50 0 BEAARN O=C(N=c1ccn(C2CCCCC2)[nH]1)NC1CC1 ZINC000408514742 384271473 /nfs/dbraw/zinc/27/14/73/384271473.db2.gz DLHYOWQESFSZIZ-UHFFFAOYSA-N 0 0 248.330 2.094 50 0 BEAARN CC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000000235857 384273161 /nfs/dbraw/zinc/27/31/61/384273161.db2.gz ZINVECDASYBXFR-UHFFFAOYSA-N 0 0 246.715 2.093 50 0 BEAARN CCO[C@@H]1COC[C@H]1Nc1nc2ccccc2o1 ZINC000408519613 384276707 /nfs/dbraw/zinc/27/67/07/384276707.db2.gz GGIDMWBRWQBHKN-ZYHUDNBSSA-N 0 0 248.282 2.044 50 0 BEAARN CC(=O)c1c(F)cccc1-n1cccn1 ZINC000012505633 384323004 /nfs/dbraw/zinc/32/30/04/384323004.db2.gz UYIKTGLFDZSSID-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN O=C(Nc1nncs1)c1cccc(Cl)c1 ZINC000000338614 384319225 /nfs/dbraw/zinc/31/92/25/384319225.db2.gz QKQIWVLYLNDBMM-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN COc1ccc([C@H](O)[C@H](C)n2cccn2)cc1 ZINC000044182799 384319342 /nfs/dbraw/zinc/31/93/42/384319342.db2.gz GDISAVSZXXPIDU-GXFFZTMASA-N 0 0 232.283 2.186 50 0 BEAARN O=C(Nc1ccccc1O)C1(CF)CCC1 ZINC000335515607 384298505 /nfs/dbraw/zinc/29/85/05/384298505.db2.gz PDRZYOBHJANRJB-UHFFFAOYSA-N 0 0 223.247 2.471 50 0 BEAARN CC(C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012847178 384337460 /nfs/dbraw/zinc/33/74/60/384337460.db2.gz BGOOERDEFCXYJT-UHFFFAOYSA-N 0 0 235.283 2.442 50 0 BEAARN Cc1ccc(SCC(=O)N(C)C)c(C)c1 ZINC000012926133 384343386 /nfs/dbraw/zinc/34/33/86/384343386.db2.gz NXAALNBZJKOQCF-UHFFFAOYSA-N 0 0 223.341 2.484 50 0 BEAARN COC(=O)c1ccc2c(c1)ncn2C1CC1 ZINC000075935104 384348930 /nfs/dbraw/zinc/34/89/30/384348930.db2.gz NIEVWYBJAGQALQ-UHFFFAOYSA-N 0 0 216.240 2.158 50 0 BEAARN Cc1c(CN2CCc3ccccc32)cnn1C ZINC000095424157 384374002 /nfs/dbraw/zinc/37/40/02/384374002.db2.gz RLCJBCWJRJBORK-UHFFFAOYSA-N 0 0 227.311 2.291 50 0 BEAARN COC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1C ZINC000013327628 384355621 /nfs/dbraw/zinc/35/56/21/384355621.db2.gz XAMFAFZUMWPGLC-WPRPVWTQSA-N 0 0 233.267 2.068 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)no1 ZINC000013329517 384356941 /nfs/dbraw/zinc/35/69/41/384356941.db2.gz KWFRVTIJRXACOX-WCBMZHEXSA-N 0 0 222.288 2.292 50 0 BEAARN Cc1c(C=O)c(-c2ccccc2)nn1C ZINC000013483709 384363119 /nfs/dbraw/zinc/36/31/19/384363119.db2.gz OJOQXCIFXFOWAZ-UHFFFAOYSA-N 0 0 200.241 2.208 50 0 BEAARN CC(C)Cn1nccc1Br ZINC000095094199 384363284 /nfs/dbraw/zinc/36/32/84/384363284.db2.gz YUWRPYZOXLGDTB-UHFFFAOYSA-N 0 0 203.083 2.302 50 0 BEAARN CCSCCn1cc(-c2nccs2)nn1 ZINC000095379818 384371278 /nfs/dbraw/zinc/37/12/78/384371278.db2.gz TYBLMOYVGFLSRY-UHFFFAOYSA-N 0 0 240.357 2.155 50 0 BEAARN CCc1ccc(CN(C)c2nccc(C)n2)nc1 ZINC000095354219 384371490 /nfs/dbraw/zinc/37/14/90/384371490.db2.gz SNLCMQQVOQMEQQ-UHFFFAOYSA-N 0 0 242.326 2.379 50 0 BEAARN Cc1ccc(C(=O)Nc2ccon2)s1 ZINC000013745832 384372080 /nfs/dbraw/zinc/37/20/80/384372080.db2.gz NPXCEJIYKSWRIO-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN Cc1nc(C)c(C)c(N[C@@H](C)c2cnn(C)c2)n1 ZINC000095355361 384372733 /nfs/dbraw/zinc/37/27/33/384372733.db2.gz NGKBIPXIJDGXIQ-JTQLQIEISA-N 0 0 245.330 2.308 50 0 BEAARN c1cnc2cc(NC[C@@H]3CCOC3)ccc2n1 ZINC000032592831 384325694 /nfs/dbraw/zinc/32/56/94/384325694.db2.gz DXNFMVJDJUPQDH-JTQLQIEISA-N 0 0 229.283 2.078 50 0 BEAARN CN(CCc1ccccn1)C(=O)OC(C)(C)C ZINC000078573605 384327476 /nfs/dbraw/zinc/32/74/76/384327476.db2.gz DUDJFTXVIVTSFF-UHFFFAOYSA-N 0 0 236.315 2.491 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000095348227 384373060 /nfs/dbraw/zinc/37/30/60/384373060.db2.gz UNPDFDSZXIRIEB-SECBINFHSA-N 0 0 237.303 2.312 50 0 BEAARN CC(C)(C)c1cc(N)n(Cc2cccnc2)n1 ZINC000095829299 384399500 /nfs/dbraw/zinc/39/95/00/384399500.db2.gz IDHQPQHATPBXRK-UHFFFAOYSA-N 0 0 230.315 2.206 50 0 BEAARN CCONC(=O)c1ccc(C(F)(F)F)cc1 ZINC000032848244 384401504 /nfs/dbraw/zinc/40/15/04/384401504.db2.gz LLIIPLNWZNITGL-UHFFFAOYSA-N 0 0 233.189 2.387 50 0 BEAARN Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC000095882076 384405195 /nfs/dbraw/zinc/40/51/95/384405195.db2.gz VDVWIZPBTMVTDY-UHFFFAOYSA-N 0 0 244.319 2.445 50 0 BEAARN COC(=O)c1c[nH]cc1-c1scnc1C ZINC000095883831 384405773 /nfs/dbraw/zinc/40/57/73/384405773.db2.gz SUWIMKYPPCSXMB-UHFFFAOYSA-N 0 0 222.269 2.233 50 0 BEAARN CCCCN1C(O)N=N[C@H]1c1ccccc1 ZINC000095917949 384408345 /nfs/dbraw/zinc/40/83/45/384408345.db2.gz VUTFABWFXOHKGE-LLVKDONJSA-N 0 0 219.288 2.015 50 0 BEAARN COC(=O)c1cc(N)c(C)c(Br)c1 ZINC000014984254 384411060 /nfs/dbraw/zinc/41/10/60/384411060.db2.gz BXVMWNWKILQIHB-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN C/C=C/C=C\C(=O)NCc1ccccc1OC ZINC000097987753 384411706 /nfs/dbraw/zinc/41/17/06/384411706.db2.gz AQZUILYXRKCLAP-STMOGGTPSA-N 0 0 231.295 2.444 50 0 BEAARN COC(=O)c1cc2cc(F)c(F)cc2[nH]1 ZINC000014984879 384412990 /nfs/dbraw/zinc/41/29/90/384412990.db2.gz OQWNPCDCYKEDEV-UHFFFAOYSA-N 0 0 211.167 2.233 50 0 BEAARN O=S=Nc1cccc(Br)c1 ZINC000096032131 384421202 /nfs/dbraw/zinc/42/12/02/384421202.db2.gz VHYGRZUTVKBOOK-UHFFFAOYSA-N 0 0 218.075 2.477 50 0 BEAARN CC(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000096011821 384422278 /nfs/dbraw/zinc/42/22/78/384422278.db2.gz WABLMYICMOUITO-UHFFFAOYSA-N 0 0 244.298 2.077 50 0 BEAARN c1ccc(Cn2nnc3c2CCCC3)cc1 ZINC000096032198 384422374 /nfs/dbraw/zinc/42/23/74/384422374.db2.gz LESDEDRQHWMSDC-UHFFFAOYSA-N 0 0 213.284 2.205 50 0 BEAARN O=c1[nH]ncc(N2CCCCCCC2)c1Cl ZINC000015112686 384422725 /nfs/dbraw/zinc/42/27/25/384422725.db2.gz XUZZOJZYVUFQIZ-UHFFFAOYSA-N 0 0 241.722 2.194 50 0 BEAARN CC(C)n1nnc(-c2cccc(F)c2)n1 ZINC000032759343 384376061 /nfs/dbraw/zinc/37/60/61/384376061.db2.gz PMXMPACIMBONSL-UHFFFAOYSA-N 0 0 206.224 2.060 50 0 BEAARN COC(=O)c1ccc2ncn(C3CC3)c2c1 ZINC000095495610 384377370 /nfs/dbraw/zinc/37/73/70/384377370.db2.gz RUFICRIMUYXKHJ-UHFFFAOYSA-N 0 0 216.240 2.158 50 0 BEAARN O=Cc1cc(Cl)cnc1Br ZINC000095628498 384382703 /nfs/dbraw/zinc/38/27/03/384382703.db2.gz YNKIUZCYHSSMBL-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN CC(C)(C)OC(=O)N1CC2(C1)CCC(=O)CC2 ZINC000095635399 384385351 /nfs/dbraw/zinc/38/53/51/384385351.db2.gz KHCPHQZPEYFYRA-UHFFFAOYSA-N 0 0 239.315 2.367 50 0 BEAARN Cc1nc(C)c(C2N=NC(=S)O2)s1 ZINC000014248121 384386205 /nfs/dbraw/zinc/38/62/05/384386205.db2.gz PKPQBNRJCZXHIG-UHFFFAOYSA-N 0 0 213.287 2.099 50 0 BEAARN Cc1cccc(N2CCC[C@H](n3cccn3)C2)n1 ZINC000097163283 384388508 /nfs/dbraw/zinc/38/85/08/384388508.db2.gz QYZIGWACRQDPPW-ZDUSSCGKSA-N 0 0 242.326 2.428 50 0 BEAARN COC(=O)c1c(C)noc1-c1ccccc1 ZINC000015809950 384445631 /nfs/dbraw/zinc/44/56/31/384445631.db2.gz PJJNJDZAQVBQKT-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN CNc1ccccc1C(=O)Nc1ccncc1 ZINC000016189482 384452850 /nfs/dbraw/zinc/45/28/50/384452850.db2.gz FTGRJAQVYODSOA-UHFFFAOYSA-N 0 0 227.267 2.376 50 0 BEAARN COC[C@@H](C)NC(=S)NC1CCCCCC1 ZINC000016238192 384453080 /nfs/dbraw/zinc/45/30/80/384453080.db2.gz BDUUWFXELOMFQS-SNVBAGLBSA-N 0 0 244.404 2.208 50 0 BEAARN C[C@H](NC(=O)c1cccc(O)c1)C(C)(F)F ZINC000335656542 384455349 /nfs/dbraw/zinc/45/53/49/384455349.db2.gz LLEKRPIDDYDDEA-ZETCQYMHSA-N 0 0 229.226 2.166 50 0 BEAARN O=C1c2ccc(F)cc2C(=O)N1c1ccccn1 ZINC000016309409 384455892 /nfs/dbraw/zinc/45/58/92/384455892.db2.gz DINIRPNLBSILAR-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN O=C(/C=C/c1cccnc1)Nc1nccs1 ZINC000029838819 384435315 /nfs/dbraw/zinc/43/53/15/384435315.db2.gz IQNXJUGWQCDPIW-ONEGZZNKSA-N 0 0 231.280 2.190 50 0 BEAARN CC(C)(C)c1nc([C@@H]2CC23CCC3)n(CCO)n1 ZINC000096137516 384437180 /nfs/dbraw/zinc/43/71/80/384437180.db2.gz HEGGYFAYOBTEFN-JTQLQIEISA-N 0 0 249.358 2.226 50 0 BEAARN Oc1cc2c[nH]nc2c(Br)c1 ZINC000084235812 384437756 /nfs/dbraw/zinc/43/77/56/384437756.db2.gz ZEMGQGFUMYTDTQ-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN C[C@@H](C1CC1)N(Cc1csnn1)C1CC1 ZINC000122206571 384466876 /nfs/dbraw/zinc/46/68/76/384466876.db2.gz WPKMUMAHYZRRHG-QMMMGPOBSA-N 0 0 223.345 2.301 50 0 BEAARN COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000078806004 384467748 /nfs/dbraw/zinc/46/77/48/384467748.db2.gz NDACBWZNPPVOJB-MRVPVSSYSA-N 0 0 245.319 2.099 50 0 BEAARN O=C1Nc2ccc(-c3ccccc3)cc2C1=O ZINC000016948211 384476399 /nfs/dbraw/zinc/47/63/99/384476399.db2.gz SCYQIRIBDBKXGG-UHFFFAOYSA-N 0 0 223.231 2.488 50 0 BEAARN O=C1CCN(Cc2ccccc2)CC1(F)F ZINC000079034951 384479009 /nfs/dbraw/zinc/47/90/09/384479009.db2.gz CKCXYQKESZZOMW-UHFFFAOYSA-N 0 0 225.238 2.097 50 0 BEAARN C/C=C/C=C\C(=O)Nc1ccccc1C(=O)NC ZINC000096991479 384482938 /nfs/dbraw/zinc/48/29/38/384482938.db2.gz OPTWMCADPOPWOQ-STMOGGTPSA-N 0 0 244.294 2.117 50 0 BEAARN CC(C)CCNc1cccc(NC(=O)CO)c1 ZINC000252478545 384497644 /nfs/dbraw/zinc/49/76/44/384497644.db2.gz APDUFCPXXJETHF-UHFFFAOYSA-N 0 0 236.315 2.075 50 0 BEAARN CC(C)c1cc(C(=O)N(C)[C@@H](C)C2CC2)[nH]n1 ZINC000071947715 384503421 /nfs/dbraw/zinc/50/34/21/384503421.db2.gz BWRGKZRKQTWGEW-VIFPVBQESA-N 0 0 235.331 2.404 50 0 BEAARN CC(C)CC1(NC(=O)CCCc2cn[nH]c2)CC1 ZINC000097243871 384504999 /nfs/dbraw/zinc/50/49/99/384504999.db2.gz BHGVYDFAEOXEFR-UHFFFAOYSA-N 0 0 249.358 2.427 50 0 BEAARN CCC1(NC(=O)OCc2ccccc2)COC1 ZINC000079387594 384493833 /nfs/dbraw/zinc/49/38/33/384493833.db2.gz GJJDVTFYDMHQKH-UHFFFAOYSA-N 0 0 235.283 2.092 50 0 BEAARN COc1ncccc1NC(=O)NCc1ccco1 ZINC000048230702 384512734 /nfs/dbraw/zinc/51/27/34/384512734.db2.gz BFKMHLACAQNYGK-UHFFFAOYSA-N 0 0 247.254 2.005 50 0 BEAARN C[C@@H](CCO)CNc1noc(-c2ccccc2)n1 ZINC000157782804 384515349 /nfs/dbraw/zinc/51/53/49/384515349.db2.gz QGPDZACCOOGBKM-JTQLQIEISA-N 0 0 247.298 2.167 50 0 BEAARN CC1(C)CCC(=O)N(c2ccccc2)C1=O ZINC000002187250 384518868 /nfs/dbraw/zinc/51/88/68/384518868.db2.gz WMACAISSTVTPEW-UHFFFAOYSA-N 0 0 217.268 2.366 50 0 BEAARN Cc1ccc(OCCCN2CCOCC2)cc1C ZINC000019607332 384529307 /nfs/dbraw/zinc/52/93/07/384529307.db2.gz DUVKEQFLSFTVFO-UHFFFAOYSA-N 0 0 249.354 2.405 50 0 BEAARN CC(C)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000095414219 384529769 /nfs/dbraw/zinc/52/97/69/384529769.db2.gz IUPRQNBVWQXJLR-OAHLLOKOSA-N 0 0 247.338 2.417 50 0 BEAARN Cc1c[nH]c(CN(C)Cc2coc(C(C)C)n2)n1 ZINC000097532867 384531788 /nfs/dbraw/zinc/53/17/88/384531788.db2.gz FNDNDURPHCRLCH-UHFFFAOYSA-N 0 0 248.330 2.462 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)no1 ZINC000098018865 384532492 /nfs/dbraw/zinc/53/24/92/384532492.db2.gz MWIOJYUTPGIFQY-QWRGUYRKSA-N 0 0 234.299 2.245 50 0 BEAARN CCOP(=O)(C=C1COC1)OCC ZINC000138092144 384560702 /nfs/dbraw/zinc/56/07/02/384560702.db2.gz FFSCZIVKLQZURA-UHFFFAOYSA-N 0 0 206.178 2.167 50 0 BEAARN CCC[C@H](C)C(=O)Nc1ccc(OC)nc1 ZINC000049909418 384578099 /nfs/dbraw/zinc/57/80/99/384578099.db2.gz VAQFFWKXCSKGGB-VIFPVBQESA-N 0 0 222.288 2.465 50 0 BEAARN N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000097922847 384579486 /nfs/dbraw/zinc/57/94/86/384579486.db2.gz GIYPQZJJERZOKW-ZDUSSCGKSA-N 0 0 233.311 2.042 50 0 BEAARN CC(C)(C)OC(=O)n1nc(C=O)c2cccnc21 ZINC000098213455 384605564 /nfs/dbraw/zinc/60/55/64/384605564.db2.gz XKYBGNYQLOMUML-UHFFFAOYSA-N 0 0 247.254 2.027 50 0 BEAARN Cc1ccn2cc(C(=O)NCCC(C)C)nc2c1 ZINC000020731794 384632609 /nfs/dbraw/zinc/63/26/09/384632609.db2.gz UTHIJUMYCBEERF-UHFFFAOYSA-N 0 0 245.326 2.419 50 0 BEAARN Cn1cccc/c1=N\C(=S)Nc1ccccc1 ZINC000100019082 384608157 /nfs/dbraw/zinc/60/81/57/384608157.db2.gz UQBBBRQRNHQHRL-NTCAYCPXSA-N 0 0 243.335 2.323 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000100117593 384619101 /nfs/dbraw/zinc/61/91/01/384619101.db2.gz SGNKPJPMWHKOJO-AOOOYVTPSA-N 0 0 229.320 2.062 50 0 BEAARN Cn1[n-]c(=S)sc1=NCc1ccccc1 ZINC000100271847 384630558 /nfs/dbraw/zinc/63/05/58/384630558.db2.gz OEFRFEJBTZCUGH-PKNBQFBNSA-N 0 0 237.353 2.245 50 0 BEAARN CCCn1cc(CNc2ccc(F)cn2)cn1 ZINC000097045334 384592046 /nfs/dbraw/zinc/59/20/46/384592046.db2.gz BAYRTAKLQVQYJF-UHFFFAOYSA-N 0 0 234.278 2.439 50 0 BEAARN COC(=O)c1c(F)cccc1-c1ncccn1 ZINC000098178380 384599838 /nfs/dbraw/zinc/59/98/38/384599838.db2.gz VFWHJJKKMBKSSG-UHFFFAOYSA-N 0 0 232.214 2.069 50 0 BEAARN Cc1csc2nc(=O)c3ccccc3n12 ZINC000000387203 384662953 /nfs/dbraw/zinc/66/29/53/384662953.db2.gz JSINNVANMOSFMN-UHFFFAOYSA-N 0 0 216.265 2.218 50 0 BEAARN O=C([C@@H]1CCCOC1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456266032 384664470 /nfs/dbraw/zinc/66/44/70/384664470.db2.gz CRHSMBGBLSQOFK-MGPQQGTHSA-N 0 0 249.354 2.060 50 0 BEAARN Cn1cnc2c1cccc2Br ZINC000082373796 384674666 /nfs/dbraw/zinc/67/46/66/384674666.db2.gz RQJWIWNNDYLKNI-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Cc1ccc([C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000071908354 384674970 /nfs/dbraw/zinc/67/49/70/384674970.db2.gz URQYQPVLVVYMDY-VIFPVBQESA-N 0 0 245.369 2.153 50 0 BEAARN O=C1Nc2ccc(Br)cc2C12CC2 ZINC000082046510 384645162 /nfs/dbraw/zinc/64/51/62/384645162.db2.gz MLDCRGSPMVDRHI-UHFFFAOYSA-N 0 0 238.084 2.433 50 0 BEAARN CC(=O)Oc1cccc(C(=O)C(F)(F)F)c1 ZINC000100602299 384647260 /nfs/dbraw/zinc/64/72/60/384647260.db2.gz IOQXUBKAIQXQSD-UHFFFAOYSA-N 0 0 232.157 2.357 50 0 BEAARN COC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000050974449 384654388 /nfs/dbraw/zinc/65/43/88/384654388.db2.gz CKDHJOAQICCZPR-MRVPVSSYSA-N 0 0 235.066 2.200 50 0 BEAARN COC(=O)Cc1ccc(C)cc1Br ZINC000140579111 384656120 /nfs/dbraw/zinc/65/61/20/384656120.db2.gz XFWDNOQWXXCPMF-UHFFFAOYSA-N 0 0 243.100 2.473 50 0 BEAARN Cn1nc(-c2ccc(Cl)s2)cc1N ZINC000051172243 384658397 /nfs/dbraw/zinc/65/83/97/384658397.db2.gz KRWXSQBPIKUSBV-UHFFFAOYSA-N 0 0 213.693 2.384 50 0 BEAARN O=Cc1cccc(F)c1Br ZINC000021300745 384661338 /nfs/dbraw/zinc/66/13/38/384661338.db2.gz CYJBMGYWRHGZBR-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN CC(C)C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000080767626 384728230 /nfs/dbraw/zinc/72/82/30/384728230.db2.gz VXIXTKMGXJOXBJ-SNVBAGLBSA-N 0 0 239.290 2.365 50 0 BEAARN Cc1c(CO)cnn1-c1ccc(Cl)cc1 ZINC000082660961 384701753 /nfs/dbraw/zinc/70/17/53/384701753.db2.gz BNYAEQZXTAYBMV-UHFFFAOYSA-N 0 0 222.675 2.326 50 0 BEAARN Clc1cnc2n[nH]c(Br)c2c1 ZINC000051951686 384703717 /nfs/dbraw/zinc/70/37/17/384703717.db2.gz YMVUEHXTDWJMIW-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Cc1ncn(Cc2cccc(N)c2)c1C ZINC000051925948 384705664 /nfs/dbraw/zinc/70/56/64/384705664.db2.gz QHEZDUTXXFYXIL-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN COC[C@H](C)OC(=O)c1cccc2c1ccn2C ZINC000077957222 384706318 /nfs/dbraw/zinc/70/63/18/384706318.db2.gz MZUVGEXLCODAOZ-JTQLQIEISA-N 0 0 247.294 2.370 50 0 BEAARN C[C@@H](O)CCNc1nc2ccccc2s1 ZINC000078727647 384709388 /nfs/dbraw/zinc/70/93/88/384709388.db2.gz CNEJYLJMTQRUQI-MRVPVSSYSA-N 0 0 222.313 2.479 50 0 BEAARN CSC1(CNc2ccccn2)CCOCC1 ZINC000078412706 384709459 /nfs/dbraw/zinc/70/94/59/384709459.db2.gz JYBKSDYYSIPGNA-UHFFFAOYSA-N 0 0 238.356 2.406 50 0 BEAARN Oc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000021952721 384709602 /nfs/dbraw/zinc/70/96/02/384709602.db2.gz QATSOLLSVDVSAL-ZDUSSCGKSA-N 0 0 200.237 2.474 50 0 BEAARN COC(=O)c1ccoc1CS[C@H](C)[C@H](C)O ZINC000079065011 384715104 /nfs/dbraw/zinc/71/51/04/384715104.db2.gz UBRCEEUCLGYNAI-JGVFFNPUSA-N 0 0 244.312 2.069 50 0 BEAARN O=C([O-])[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000086790521 384777471 /nfs/dbraw/zinc/77/74/71/384777471.db2.gz DFBZUMNXYJBKHC-GXTWGEPZSA-N 0 0 245.322 2.471 50 0 BEAARN CCC[C@](C)(O)C(=O)Nc1ccc(O)cc1F ZINC000119568613 384728728 /nfs/dbraw/zinc/72/87/28/384728728.db2.gz NJMCGJDUEMHDLF-LBPRGKRZSA-N 0 0 241.262 2.021 50 0 BEAARN COC(=O)c1ccc(O)cc1C(F)(F)F ZINC000022113092 384733269 /nfs/dbraw/zinc/73/32/69/384733269.db2.gz OLSWKTCQCZAEOW-UHFFFAOYSA-N 0 0 220.146 2.198 50 0 BEAARN COC(=O)c1cc(C(=O)CC(C)C)cn1C ZINC000052518189 384735043 /nfs/dbraw/zinc/73/50/43/384735043.db2.gz PXIGXRAHYDPILP-UHFFFAOYSA-N 0 0 223.272 2.041 50 0 BEAARN O=C(c1cccnc1)N1Cc2ccccc2C1 ZINC000082278868 384741075 /nfs/dbraw/zinc/74/10/75/384741075.db2.gz YTWMDIGEVGMIDF-UHFFFAOYSA-N 0 0 224.263 2.238 50 0 BEAARN O=CNc1ccc(F)cc1Br ZINC000083145711 384744299 /nfs/dbraw/zinc/74/42/99/384744299.db2.gz HJRLRQMNBJTPHC-UHFFFAOYSA-N 0 0 218.025 2.157 50 0 BEAARN O=C(CCc1cccs1)Nc1ncccc1O ZINC000022263850 384750074 /nfs/dbraw/zinc/75/00/74/384750074.db2.gz PUBOLUBYJVUERY-UHFFFAOYSA-N 0 0 248.307 2.420 50 0 BEAARN COC[C@@H](C)NC(=O)N(CC(C)C)CC(C)C ZINC000084511026 384759791 /nfs/dbraw/zinc/75/97/91/384759791.db2.gz WGMQDJMDXLVTQT-GFCCVEGCSA-N 0 0 244.379 2.345 50 0 BEAARN C[C@@H](CCO)NC(=O)CCC1CCCCC1 ZINC000084637372 384762405 /nfs/dbraw/zinc/76/24/05/384762405.db2.gz UJGRJPFIKSNSCI-NSHDSACASA-N 0 0 227.348 2.234 50 0 BEAARN COC[C@H](C)Nc1cc(F)ccc1F ZINC000053172104 384767003 /nfs/dbraw/zinc/76/70/03/384767003.db2.gz VSBGTXMYUUYIHU-ZETCQYMHSA-N 0 0 201.216 2.412 50 0 BEAARN CCN(C(=O)c1cnn(C)c1)c1ccccc1C ZINC000032753807 384829760 /nfs/dbraw/zinc/82/97/60/384829760.db2.gz CFCJHEPMDIXVCL-UHFFFAOYSA-N 0 0 243.310 2.395 50 0 BEAARN CC[C@H]1CCN1C(=O)c1cc(F)ccc1O ZINC000294034125 384783974 /nfs/dbraw/zinc/78/39/74/384783974.db2.gz ODPPSAQNVXUHAD-VIFPVBQESA-N 0 0 223.247 2.156 50 0 BEAARN Cc1noc(C)c1CCC(=O)Nc1cccnc1 ZINC000023136211 384790731 /nfs/dbraw/zinc/79/07/31/384790731.db2.gz DWZWFPSTUDTQKU-UHFFFAOYSA-N 0 0 245.282 2.258 50 0 BEAARN CCC[C@@H]1NC(=O)N(Cc2ccccc2C)C1=O ZINC000010907807 384797909 /nfs/dbraw/zinc/79/79/09/384797909.db2.gz MRAJSWBBQLZMOU-LBPRGKRZSA-N 0 0 246.310 2.216 50 0 BEAARN Nc1nnc(COc2cccc3ccccc32)o1 ZINC000026443184 384872947 /nfs/dbraw/zinc/87/29/47/384872947.db2.gz MDUYSEODVOQXIS-UHFFFAOYSA-N 0 0 241.250 2.384 50 0 BEAARN CC(C)COc1ccc(-c2nonc2N)cc1 ZINC000026509280 384877813 /nfs/dbraw/zinc/87/78/13/384877813.db2.gz ADCJZAWLCQRFGM-UHFFFAOYSA-N 0 0 233.271 2.354 50 0 BEAARN CC(=O)Nc1ccc2nc(C)c(C)nc2c1 ZINC000017185541 384839440 /nfs/dbraw/zinc/83/94/40/384839440.db2.gz UPQVQCOBKSXQMP-UHFFFAOYSA-N 0 0 215.256 2.205 50 0 BEAARN CCO[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000126929507 384844571 /nfs/dbraw/zinc/84/45/71/384844571.db2.gz CSQDRZWNEDBLOQ-OLZOCXBDSA-N 0 0 237.343 2.370 50 0 BEAARN CC(C)[C@@H]1[C@H](O)CCN1C(=O)OC(C)(C)C ZINC000084249951 384852947 /nfs/dbraw/zinc/85/29/47/384852947.db2.gz JZWRCXLLTHEQOW-NXEZZACHSA-N 0 0 229.320 2.013 50 0 BEAARN O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCO1 ZINC000025558689 384854215 /nfs/dbraw/zinc/85/42/15/384854215.db2.gz LLFLLRVMZDJMSH-SECBINFHSA-N 0 0 238.312 2.138 50 0 BEAARN O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCO1 ZINC000025558685 384854531 /nfs/dbraw/zinc/85/45/31/384854531.db2.gz LLFLLRVMZDJMSH-VIFPVBQESA-N 0 0 238.312 2.138 50 0 BEAARN Cc1cnc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cn1 ZINC000084258219 384854733 /nfs/dbraw/zinc/85/47/33/384854733.db2.gz SMUXLIXJKADXCD-WCQYABFASA-N 0 0 245.326 2.190 50 0 BEAARN O=C(Nc1nc(C2CC2)cs1)C1CC1 ZINC000025560072 384854799 /nfs/dbraw/zinc/85/47/99/384854799.db2.gz JBCRRRQYKLDPFZ-UHFFFAOYSA-N 0 0 208.286 2.369 50 0 BEAARN Cc1nnc2ccc(NCc3ccccc3)nn12 ZINC000005748810 384951197 /nfs/dbraw/zinc/95/11/97/384951197.db2.gz PMBUPLYJRDGQQQ-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN CCCC(=O)[C@H](C)C(=O)OC(C)(C)C ZINC000085494934 384952313 /nfs/dbraw/zinc/95/23/13/384952313.db2.gz GZHVJVJALJXSAU-QMMMGPOBSA-N 0 0 200.278 2.333 50 0 BEAARN CN(Cc1ncccn1)c1ccc(F)cc1 ZINC000191952029 384911007 /nfs/dbraw/zinc/91/10/07/384911007.db2.gz LGWOFNWCALFNEY-UHFFFAOYSA-N 0 0 217.247 2.252 50 0 BEAARN Cc1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000328587153 384959090 /nfs/dbraw/zinc/95/90/90/384959090.db2.gz XLMXURKZMHWGCV-OKILXGFUSA-N 0 0 235.302 2.497 50 0 BEAARN COC(=O)c1cc2cc(F)c(OC)cc2[nH]1 ZINC000085224928 384928029 /nfs/dbraw/zinc/92/80/29/384928029.db2.gz PWMIPARPMLHREY-UHFFFAOYSA-N 0 0 223.203 2.102 50 0 BEAARN CCN(CC)S(=O)(=O)c1ccccc1Cl ZINC000057707919 384960110 /nfs/dbraw/zinc/96/01/10/384960110.db2.gz MZFJVVYGHQYVEX-UHFFFAOYSA-N 0 0 247.747 2.371 50 0 BEAARN O=C(CC1OCCO1)c1ccc(Cl)cc1 ZINC000085652189 384960242 /nfs/dbraw/zinc/96/02/42/384960242.db2.gz HXEIGGSELNGNHM-UHFFFAOYSA-N 0 0 226.659 2.286 50 0 BEAARN O=C([O-])c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000057837399 384970023 /nfs/dbraw/zinc/97/00/23/384970023.db2.gz OVESMCXUNWFSGO-GFCCVEGCSA-N 0 0 249.310 2.296 50 0 BEAARN COCc1ccc(N)cc1C(F)(F)F ZINC000088028172 384974663 /nfs/dbraw/zinc/97/46/63/384974663.db2.gz PBZKTNYUVBUFKF-UHFFFAOYSA-N 0 0 205.179 2.434 50 0 BEAARN CC(C)COC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000057971227 384977311 /nfs/dbraw/zinc/97/73/11/384977311.db2.gz TUZNQHDOUFSITG-NSHDSACASA-N 0 0 249.310 2.004 50 0 BEAARN c1ccc(N2CCC[C@H](OCC3CC3)C2)nc1 ZINC000328588466 384978847 /nfs/dbraw/zinc/97/88/47/384978847.db2.gz PVHVENBMIQMEMH-ZDUSSCGKSA-N 0 0 232.327 2.477 50 0 BEAARN O=Cc1c(Cl)ccnc1Br ZINC000086029370 384981337 /nfs/dbraw/zinc/98/13/37/384981337.db2.gz KCOAVFRTHTWKDO-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN CCc1ccccc1NC(=O)N[C@@H](C)COC ZINC000058282906 384991348 /nfs/dbraw/zinc/99/13/48/384991348.db2.gz PQRVENRIFPBSBO-JTQLQIEISA-N 0 0 236.315 2.405 50 0 BEAARN CCN(C[C@H](C)O)C(=O)Nc1cccc(F)c1 ZINC000058248179 384993416 /nfs/dbraw/zinc/99/34/16/384993416.db2.gz YCCCUTOXSKPDTE-VIFPVBQESA-N 0 0 240.278 2.060 50 0 BEAARN O=C(/C=C\c1cccnc1)NC1CCCC1 ZINC000098054415 384993629 /nfs/dbraw/zinc/99/36/29/384993629.db2.gz NRKHUOLHXIAQMX-FPLPWBNLSA-N 0 0 216.284 2.154 50 0 BEAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](O)[C@H]2C)c1 ZINC000296072944 384995841 /nfs/dbraw/zinc/99/58/41/384995841.db2.gz ODMQVXXJKPYFQA-TZMCWYRMSA-N 0 0 247.338 2.289 50 0 BEAARN C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445795 385016560 /nfs/dbraw/zinc/01/65/60/385016560.db2.gz QGBYAHVRAJXYBH-NXEZZACHSA-N 0 0 237.274 2.293 50 0 BEAARN O=C1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000086475992 385019970 /nfs/dbraw/zinc/01/99/70/385019970.db2.gz IGPKQUCMVHUFEB-UHFFFAOYSA-N 0 0 237.686 2.032 50 0 BEAARN Cc1c(F)cc(N)cc1Br ZINC000059796764 385053870 /nfs/dbraw/zinc/05/38/70/385053870.db2.gz PYSVBVGSPMLRRH-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cnc(CN2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000072299800 385055480 /nfs/dbraw/zinc/05/54/80/385055480.db2.gz WNRGMAOMXPTFAI-LLVKDONJSA-N 0 0 246.314 2.086 50 0 BEAARN CCN(CC)C(=O)c1cc(N)cc(Cl)c1 ZINC000165096271 385066916 /nfs/dbraw/zinc/06/69/16/385066916.db2.gz PTOLLTIRHRATOH-UHFFFAOYSA-N 0 0 226.707 2.404 50 0 BEAARN COC(=O)c1cc2c(SC)[nH]ccc-2n1 ZINC000030677888 385024959 /nfs/dbraw/zinc/02/49/59/385024959.db2.gz DHWYJHGICRZSGO-UHFFFAOYSA-N 0 0 222.269 2.071 50 0 BEAARN O=Cc1ccc(OCCC(F)(F)F)cn1 ZINC000086792373 385047292 /nfs/dbraw/zinc/04/72/92/385047292.db2.gz CASWNSNMPSBBND-UHFFFAOYSA-N 0 0 219.162 2.225 50 0 BEAARN CSCC(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000096411645 385120421 /nfs/dbraw/zinc/12/04/21/385120421.db2.gz CULCZFGKRFOAOT-UHFFFAOYSA-N 0 0 247.323 2.378 50 0 BEAARN Cc1nc(Cl)nn1CCc1ccccc1 ZINC000061714988 385135084 /nfs/dbraw/zinc/13/50/84/385135084.db2.gz VRIGQIOJWFIZAO-UHFFFAOYSA-N 0 0 221.691 2.483 50 0 BEAARN CNC(=O)c1ccc(COc2ccccc2)o1 ZINC000005424365 385090440 /nfs/dbraw/zinc/09/04/40/385090440.db2.gz MVBVEKMQODICNT-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN CO[C@H](CNC(=O)NC(C)(C)C)c1ccco1 ZINC000206868065 385181426 /nfs/dbraw/zinc/18/14/26/385181426.db2.gz ORKWAJRNAZXBCE-SNVBAGLBSA-N 0 0 240.303 2.065 50 0 BEAARN Cc1nnc(CSC[C@@H]2CCCCO2)o1 ZINC000096467775 385184628 /nfs/dbraw/zinc/18/46/28/385184628.db2.gz BZNUXPLKYPUXNE-VIFPVBQESA-N 0 0 228.317 2.180 50 0 BEAARN Cc1nnc(CSCC2CCOCC2)o1 ZINC000096467863 385185417 /nfs/dbraw/zinc/18/54/17/385185417.db2.gz HNGCFEGFYYVCPN-UHFFFAOYSA-N 0 0 228.317 2.038 50 0 BEAARN CC(C)(CNC(=O)[C@H]1CCCOC1)C1CCC1 ZINC000452787713 385201711 /nfs/dbraw/zinc/20/17/11/385201711.db2.gz WDMINKZMUBNRSI-NSHDSACASA-N 0 0 239.359 2.356 50 0 BEAARN COC(=O)c1ccc2c(c1)nc1n2CC[C@H](C)C1 ZINC000032918729 385189689 /nfs/dbraw/zinc/18/96/89/385189689.db2.gz BWCMLFDWTHYEGQ-VIFPVBQESA-N 0 0 244.294 2.405 50 0 BEAARN CC(=O)c1cc(Br)cnc1F ZINC000032914804 385190552 /nfs/dbraw/zinc/19/05/52/385190552.db2.gz NTEVXGZFBVJCAP-UHFFFAOYSA-N 0 0 218.025 2.186 50 0 BEAARN CSCCC(=O)N1CCc2ccccc21 ZINC000032999926 385195411 /nfs/dbraw/zinc/19/54/11/385195411.db2.gz KZQIVVCLTBNWLB-UHFFFAOYSA-N 0 0 221.325 2.329 50 0 BEAARN CC(C)c1cc(C(=O)OCCCF)n[nH]1 ZINC000096422153 385147907 /nfs/dbraw/zinc/14/79/07/385147907.db2.gz LKAKBPNWDZBJLN-UHFFFAOYSA-N 0 0 214.240 2.050 50 0 BEAARN CC(C)[C@](C)(O)CNC(=O)/C=C\c1ccccc1 ZINC000096441124 385167442 /nfs/dbraw/zinc/16/74/42/385167442.db2.gz QSRGEKPTMAIQEZ-FJVVXJACSA-N 0 0 247.338 2.223 50 0 BEAARN CNc1ccc(Nc2ncc(Cl)cn2)cn1 ZINC000096449389 385170590 /nfs/dbraw/zinc/17/05/90/385170590.db2.gz CNMUYGWYWZKAEV-UHFFFAOYSA-N 0 0 235.678 2.310 50 0 BEAARN CSc1ncccc1C(=O)N[C@H](C)C1CC1 ZINC000019228702 385172881 /nfs/dbraw/zinc/17/28/81/385172881.db2.gz WCSCAZYRARGZHD-MRVPVSSYSA-N 0 0 236.340 2.332 50 0 BEAARN NCc1nc2ccc(Br)cc2o1 ZINC000062529386 385175244 /nfs/dbraw/zinc/17/52/44/385175244.db2.gz BHZNIRWKQALLSH-UHFFFAOYSA-N 0 0 227.061 2.049 50 0 BEAARN CC(C)(C)c1cccc2c1OCC(=O)N2 ZINC000062523376 385175862 /nfs/dbraw/zinc/17/58/62/385175862.db2.gz XBSMBZCYPYXPHA-UHFFFAOYSA-N 0 0 205.257 2.315 50 0 BEAARN CCOc1ccc(NCC(C)C)c(C(N)=O)c1 ZINC000096453629 385176225 /nfs/dbraw/zinc/17/62/25/385176225.db2.gz NHHABJAAXKBAJE-UHFFFAOYSA-N 0 0 236.315 2.252 50 0 BEAARN CC(C)c1cccc2c1OCC[C@@H](N)C2=O ZINC000062626081 385177757 /nfs/dbraw/zinc/17/77/57/385177757.db2.gz WCXCDHZTGKZZSO-LLVKDONJSA-N 0 0 219.284 2.103 50 0 BEAARN O=C(c1ccc[nH]1)N(CC1CC1)CC(F)(F)F ZINC000096461208 385180283 /nfs/dbraw/zinc/18/02/83/385180283.db2.gz QZMQPIXTWRSRDZ-UHFFFAOYSA-N 0 0 246.232 2.429 50 0 BEAARN Cc1cc(Br)cc2c1OCC(=O)N2 ZINC000062533475 385208641 /nfs/dbraw/zinc/20/86/41/385208641.db2.gz PLKXHZTWQITWFD-UHFFFAOYSA-N 0 0 242.072 2.088 50 0 BEAARN Cc1ccc(CCCC(=O)Nc2nc[nH]n2)cc1 ZINC000048345745 385209535 /nfs/dbraw/zinc/20/95/35/385209535.db2.gz MMQPLFYEDJDXSH-UHFFFAOYSA-N 0 0 244.298 2.075 50 0 BEAARN COc1ccc(CNc2nc(C)no2)cc1F ZINC000096485559 385225414 /nfs/dbraw/zinc/22/54/14/385225414.db2.gz CKPGXTIAXRUQAT-UHFFFAOYSA-N 0 0 237.234 2.138 50 0 BEAARN C[C@H](NCc1noc(C2CC2)n1)c1ccncc1 ZINC000096501578 385234291 /nfs/dbraw/zinc/23/42/91/385234291.db2.gz BUWOYAZGZJHNRG-VIFPVBQESA-N 0 0 244.298 2.193 50 0 BEAARN CC[C@]1(C)C[C@H]1C(=O)N(C)c1cccnc1 ZINC000177377871 385234588 /nfs/dbraw/zinc/23/45/88/385234588.db2.gz RRVCLLYKHWEEBO-WCQYABFASA-N 0 0 218.300 2.481 50 0 BEAARN COC(=O)[C@H](CC(C)(C)C)Sc1ncc[nH]1 ZINC000096500988 385237230 /nfs/dbraw/zinc/23/72/30/385237230.db2.gz BBFPGKPQEAKXGE-QMMMGPOBSA-N 0 0 242.344 2.480 50 0 BEAARN CCc1ccccc1NC(=O)Cn1ccnc1 ZINC000005634210 385240318 /nfs/dbraw/zinc/24/03/18/385240318.db2.gz HRJAEHKBTOEPKN-UHFFFAOYSA-N 0 0 229.283 2.084 50 0 BEAARN O=c1[nH]ccc2cccc(Br)c21 ZINC000064033547 385242652 /nfs/dbraw/zinc/24/26/52/385242652.db2.gz NQMZAFRCYDJSEU-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN COC(=O)c1c(C)cc(Cl)nc1Cl ZINC000064034153 385243779 /nfs/dbraw/zinc/24/37/79/385243779.db2.gz QOTFUYQFPHLJTM-UHFFFAOYSA-N 0 0 220.055 2.483 50 0 BEAARN CC(C)CCOC(=O)[C@H]1CCCC[C@H]1O ZINC000000506679 385244319 /nfs/dbraw/zinc/24/43/19/385244319.db2.gz NEGXKXUAVASAAB-WDEREUQCSA-N 0 0 214.305 2.127 50 0 BEAARN Cc1nc(-c2ccc3c(c2)C[C@H](C)O3)n[nH]1 ZINC000065393460 385302550 /nfs/dbraw/zinc/30/25/50/385302550.db2.gz HDEKETPBMDFVNN-ZETCQYMHSA-N 0 0 215.256 2.104 50 0 BEAARN Nc1ncc(-c2cc3ccccc3o2)cn1 ZINC000065451528 385312804 /nfs/dbraw/zinc/31/28/04/385312804.db2.gz BLYISXQHVXDSHW-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN O=C1NCCCc2nc(CCC3CCCC3)[nH]c21 ZINC000065493728 385316789 /nfs/dbraw/zinc/31/67/89/385316789.db2.gz PLEKSVNIEWYJBW-UHFFFAOYSA-N 0 0 247.342 2.209 50 0 BEAARN CC[C@H](C)n1c(=O)[nH]nc1-c1cccc(OC)c1 ZINC000065490071 385317633 /nfs/dbraw/zinc/31/76/33/385317633.db2.gz JWFSVNSGBPEZSQ-VIFPVBQESA-N 0 0 247.298 2.218 50 0 BEAARN Nc1sc2c(c1C(=O)c1ccccn1)CCC2 ZINC000033966882 385269296 /nfs/dbraw/zinc/26/92/96/385269296.db2.gz FDXVPEXNMYDNHP-UHFFFAOYSA-N 0 0 244.319 2.445 50 0 BEAARN COc1ccc([C@H]2CCC(=O)O2)cc1OC ZINC000034189679 385273345 /nfs/dbraw/zinc/27/33/45/385273345.db2.gz WUTCRAWYHFZCPK-SECBINFHSA-N 0 0 222.240 2.082 50 0 BEAARN CC(C)(C)[C@H]1COC(c2ccccn2)=N1 ZINC000034275668 385275714 /nfs/dbraw/zinc/27/57/14/385275714.db2.gz JDOAIDZRVWJBEG-SNVBAGLBSA-N 0 0 204.273 2.273 50 0 BEAARN Cc1nc(Cn2ccnc2-c2ccccc2)n[nH]1 ZINC000065526941 385323193 /nfs/dbraw/zinc/32/31/93/385323193.db2.gz JLSJPBKUAFOXSA-UHFFFAOYSA-N 0 0 239.282 2.025 50 0 BEAARN CC[C@H]1CCCN(C(=O)c2cncnc2)CC1 ZINC000273967586 385291123 /nfs/dbraw/zinc/29/11/23/385291123.db2.gz OTDBSPSSVBQHJU-NSHDSACASA-N 0 0 233.315 2.129 50 0 BEAARN Cc1c(Cl)cccc1-c1cnc(=O)[nH]c1 ZINC000065344667 385300053 /nfs/dbraw/zinc/30/00/53/385300053.db2.gz MXXIIZIRRQVYOA-UHFFFAOYSA-N 0 0 220.659 2.399 50 0 BEAARN Cc1ccc(NC(=O)C2(C)COC2)c(F)c1 ZINC000272760689 385330808 /nfs/dbraw/zinc/33/08/08/385330808.db2.gz PMWJITUSIJYFPJ-UHFFFAOYSA-N 0 0 223.247 2.109 50 0 BEAARN O=C(c1ccc2[nH]ccc2c1)N1CCSCC1 ZINC000098009536 385350827 /nfs/dbraw/zinc/35/08/27/385350827.db2.gz IPSDKTKIBYNHQP-UHFFFAOYSA-N 0 0 246.335 2.357 50 0 BEAARN O=C(C1CCC1)N1CCC(=O)Nc2ccccc21 ZINC000098010571 385356593 /nfs/dbraw/zinc/35/65/93/385356593.db2.gz RPARFGBIZVXURW-UHFFFAOYSA-N 0 0 244.294 2.162 50 0 BEAARN Cc1nc(COc2c(C)nn(C)c2C)oc1C ZINC000098019215 385358705 /nfs/dbraw/zinc/35/87/05/385358705.db2.gz OAPOOFQXGDJHQH-UHFFFAOYSA-N 0 0 235.287 2.221 50 0 BEAARN O=Cc1ccc(N2CCCC(F)(F)C2)cn1 ZINC000169725614 385418594 /nfs/dbraw/zinc/41/85/94/385418594.db2.gz LVAISIJULKNLIH-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc[nH]1 ZINC000584907093 385465852 /nfs/dbraw/zinc/46/58/52/385465852.db2.gz OMWKTPXHLRZROD-UKRRQHHQSA-N 0 0 240.306 2.475 50 0 BEAARN O=C1O[C@H](N2CCCCC2)c2ccccc21 ZINC000020324438 385460319 /nfs/dbraw/zinc/46/03/19/385460319.db2.gz HJVZILLPTGZKJV-LBPRGKRZSA-N 0 0 217.268 2.342 50 0 BEAARN Cc1cc(C)c(C)c2occ(CC(N)=O)c21 ZINC000016606962 385504673 /nfs/dbraw/zinc/50/46/73/385504673.db2.gz QNQUAHJMIGUHBE-UHFFFAOYSA-N 0 0 217.268 2.386 50 0 BEAARN Cc1ccc(Cl)cc1NC(=O)Cn1cccn1 ZINC000008844822 385512667 /nfs/dbraw/zinc/51/26/67/385512667.db2.gz DBSLQMWJUSLVTJ-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN COC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000004386749 385574161 /nfs/dbraw/zinc/57/41/61/385574161.db2.gz YHETXFIBOZUBQU-UHFFFAOYSA-N 0 0 230.267 2.026 50 0 BEAARN O=C(CCc1ccccc1)N[C@H]1CCCC[C@H]1O ZINC000052000851 385600542 /nfs/dbraw/zinc/60/05/42/385600542.db2.gz NTZKHITWYBDGJJ-UONOGXRCSA-N 0 0 247.338 2.039 50 0 BEAARN C[C@H](Nc1cccc(CO)c1)[C@@H]1CCOC1 ZINC000183860415 385591801 /nfs/dbraw/zinc/59/18/01/385591801.db2.gz VQRAAVVQKBMLHM-CMPLNLGQSA-N 0 0 221.300 2.016 50 0 BEAARN Cc1noc(C)c1NC(=O)CC[C@@H]1CCCO1 ZINC000063447197 385634554 /nfs/dbraw/zinc/63/45/54/385634554.db2.gz GSVYXRDCNNTMSB-JTQLQIEISA-N 0 0 238.287 2.189 50 0 BEAARN CC(C)(C)c1ccc(-n2cc(CO)nn2)cc1 ZINC000052221248 385708367 /nfs/dbraw/zinc/70/83/67/385708367.db2.gz SDOVKFJBTZHUEG-UHFFFAOYSA-N 0 0 231.299 2.057 50 0 BEAARN C[C@@H](NC(=O)c1ccccc1F)[C@@H]1CCCO1 ZINC000001055484 385728729 /nfs/dbraw/zinc/72/87/29/385728729.db2.gz CHRIBTPEHXVHCO-SKDRFNHKSA-N 0 0 237.274 2.123 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCO1 ZINC000001054234 385728796 /nfs/dbraw/zinc/72/87/96/385728796.db2.gz UXYQSLYRJLGZGN-ZWNOBZJWSA-N 0 0 231.295 2.143 50 0 BEAARN Cc1cc(C(=O)Nc2ccon2)cs1 ZINC000001055498 385729839 /nfs/dbraw/zinc/72/98/39/385729839.db2.gz WJWGOKJHLDDVDP-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN CCCCOCC(=O)Nc1cccnc1C ZINC000073347991 385771601 /nfs/dbraw/zinc/77/16/01/385771601.db2.gz KOCWHIYYNZUOCG-UHFFFAOYSA-N 0 0 222.288 2.145 50 0 BEAARN Cc1nsc(N2CCC[C@@H](C)CC2)n1 ZINC000089721355 385822057 /nfs/dbraw/zinc/82/20/57/385822057.db2.gz SKHCOBTWCXTMMX-MRVPVSSYSA-N 0 0 211.334 2.473 50 0 BEAARN Cc1cc(C)n(C(=O)c2ccc(C)cc2)n1 ZINC000000580501 385822555 /nfs/dbraw/zinc/82/25/55/385822555.db2.gz HEOJUUBWUHRZMD-UHFFFAOYSA-N 0 0 214.268 2.497 50 0 BEAARN CCN(C)c1ccc(C(=O)O[C@H](C)C(C)=O)cc1 ZINC000095956070 385831576 /nfs/dbraw/zinc/83/15/76/385831576.db2.gz AVFQPLNKZAGJIE-LLVKDONJSA-N 0 0 249.310 2.277 50 0 BEAARN Cc1ccc(C(=O)Nc2ncccc2O)cc1 ZINC000012536601 385853168 /nfs/dbraw/zinc/85/31/68/385853168.db2.gz AAIWUDITVLKGCD-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN Cc1cc(C(=O)OCC(=O)c2ccc[nH]2)c(C)o1 ZINC000007745912 385908345 /nfs/dbraw/zinc/90/83/45/385908345.db2.gz HPWUGFCUPRHDAM-UHFFFAOYSA-N 0 0 247.250 2.264 50 0 BEAARN CC(=O)Nc1cc(C)c(N(C)C)c(C)c1 ZINC000096319137 385912837 /nfs/dbraw/zinc/91/28/37/385912837.db2.gz DTEMKEXOYAAYRC-UHFFFAOYSA-N 0 0 206.289 2.328 50 0 BEAARN C/C=C/C=C/C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000008033681 385925612 /nfs/dbraw/zinc/92/56/12/385925612.db2.gz WABAAULGWPVYTQ-VNKDHWASSA-N 0 0 244.294 2.117 50 0 BEAARN CCCc1n[nH]cc1C(=O)OCc1cc(C)no1 ZINC000051611822 385864577 /nfs/dbraw/zinc/86/45/77/385864577.db2.gz KCPABHXYMUNWOP-UHFFFAOYSA-N 0 0 249.270 2.016 50 0 BEAARN Cc1nc(SCc2c(C)noc2C)n[nH]1 ZINC000021586209 385873382 /nfs/dbraw/zinc/87/33/82/385873382.db2.gz VXRQKPBEFJEWOH-UHFFFAOYSA-N 0 0 224.289 2.010 50 0 BEAARN CC(=O)c1csc(NC(=O)c2ccco2)n1 ZINC000022614155 385939281 /nfs/dbraw/zinc/93/92/81/385939281.db2.gz WIXLPFZXIMCLLY-UHFFFAOYSA-N 0 0 236.252 2.191 50 0 BEAARN C/C=C/CC(=O)NCCn1nc(C)c(CC)c1C ZINC000220417493 385965929 /nfs/dbraw/zinc/96/59/29/385965929.db2.gz MCLYTEPSHWCTCN-FNORWQNLSA-N 0 0 249.358 2.145 50 0 BEAARN CSCC(=O)Nc1cc(F)ccc1C ZINC000033002181 386017655 /nfs/dbraw/zinc/01/76/55/386017655.db2.gz KOUFMQYWBSTNKV-UHFFFAOYSA-N 0 0 213.277 2.436 50 0 BEAARN Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1F ZINC000335192563 386024266 /nfs/dbraw/zinc/02/42/66/386024266.db2.gz CIDSWMBJANVZHU-GHMZBOCLSA-N 0 0 224.279 2.334 50 0 BEAARN Cc1noc(-c2nc(-c3ccccc3F)no2)n1 ZINC000643276657 386030466 /nfs/dbraw/zinc/03/04/66/386030466.db2.gz YBNPPXIUTVHWNU-UHFFFAOYSA-N 0 0 246.201 2.234 50 0 BEAARN CC(=O)c1csc(NC(=O)C2CCCC2)n1 ZINC000025256169 386048849 /nfs/dbraw/zinc/04/88/49/386048849.db2.gz FYMVCTOEKBSLRQ-UHFFFAOYSA-N 0 0 238.312 2.474 50 0 BEAARN COC(=O)c1ccc(NCCC2=CCCC2)nn1 ZINC000157440873 386176273 /nfs/dbraw/zinc/17/62/73/386176273.db2.gz AMVFSSHYWDRKEB-UHFFFAOYSA-N 0 0 247.298 2.176 50 0 BEAARN CC[C@H]1CCN1C(=O)Nc1cncc(F)c1 ZINC000296806193 386202063 /nfs/dbraw/zinc/20/20/63/386202063.db2.gz REJBJCZGTBMLHN-JTQLQIEISA-N 0 0 223.251 2.237 50 0 BEAARN Cc1nnc(N(C)Cc2cccc(F)c2)o1 ZINC000275410132 386206998 /nfs/dbraw/zinc/20/69/98/386206998.db2.gz SGRVKEWLNUZJOB-UHFFFAOYSA-N 0 0 221.235 2.154 50 0 BEAARN Cc1coc(Sc2nccc(C)n2)n1 ZINC000225633211 386208068 /nfs/dbraw/zinc/20/80/68/386208068.db2.gz HTZIWZAYXANBTN-UHFFFAOYSA-N 0 0 207.258 2.233 50 0 BEAARN C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1cn[nH]c1 ZINC000275389983 386208148 /nfs/dbraw/zinc/20/81/48/386208148.db2.gz YPTNAIYRQMLNCH-MNOVXSKESA-N 0 0 233.315 2.333 50 0 BEAARN CC(C)=CC(=O)Nc1ccccc1-n1cncn1 ZINC000040498660 386209993 /nfs/dbraw/zinc/20/99/93/386209993.db2.gz KVFSCESYANACNG-UHFFFAOYSA-N 0 0 242.282 2.172 50 0 BEAARN O=C1c2ccccc2[C@@H]2c3cccn3CCN12 ZINC000001395729 386213625 /nfs/dbraw/zinc/21/36/25/386213625.db2.gz QOWROVWPEFYPIP-CYBMUJFWSA-N 0 0 224.263 2.047 50 0 BEAARN CCc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 ZINC000001280918 386237715 /nfs/dbraw/zinc/23/77/15/386237715.db2.gz IBPZGZOKLNSADC-UHFFFAOYSA-N 0 0 229.283 2.384 50 0 BEAARN CCO[C@H](C)C(=O)Nc1noc2ccccc21 ZINC000225500520 386198743 /nfs/dbraw/zinc/19/87/43/386198743.db2.gz YVYNQQPXOHNZNA-MRVPVSSYSA-N 0 0 234.255 2.191 50 0 BEAARN Cc1ccc(C)c(CC(=O)NC2CC2)c1 ZINC000044900052 386285499 /nfs/dbraw/zinc/28/54/99/386285499.db2.gz MTVMTJCPOUPLMZ-UHFFFAOYSA-N 0 0 203.285 2.125 50 0 BEAARN Cc1cc(C(=O)NC2CC(F)(F)C2)co1 ZINC000277071034 386405115 /nfs/dbraw/zinc/40/51/15/386405115.db2.gz SIYDMBISACEOCD-UHFFFAOYSA-N 0 0 215.199 2.116 50 0 BEAARN CC(C)Cc1noc(CN(C)Cc2ccoc2)n1 ZINC000336707558 386414284 /nfs/dbraw/zinc/41/42/84/386414284.db2.gz KSGTUOBDKPSOJE-UHFFFAOYSA-N 0 0 249.314 2.493 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)CSC(C)(C)C ZINC000035133200 386430407 /nfs/dbraw/zinc/43/04/07/386430407.db2.gz IFRIOQIYOPUOIP-UHFFFAOYSA-N 0 0 241.360 2.497 50 0 BEAARN C[C@@]([NH3+])(C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000238411661 386480673 /nfs/dbraw/zinc/48/06/73/386480673.db2.gz IWMDICBGBPNXAH-VIFPVBQESA-N 0 0 234.082 2.252 50 0 BEAARN CC[C@H](C)c1nc(-c2cnc3cnccn32)no1 ZINC000277992215 386483695 /nfs/dbraw/zinc/48/36/95/386483695.db2.gz OYESRPCRPJYKBO-QMMMGPOBSA-N 0 0 243.270 2.293 50 0 BEAARN CC(=O)c1nccnc1NC(=O)OC(C)(C)C ZINC000238730433 386530280 /nfs/dbraw/zinc/53/02/80/386530280.db2.gz LTUDTDAIPWTWCO-UHFFFAOYSA-N 0 0 237.259 2.026 50 0 BEAARN COC(=O)[C@@H](O)CCCC1CCCCC1 ZINC000238856822 386536847 /nfs/dbraw/zinc/53/68/47/386536847.db2.gz XFGFXUJTPZFFGV-NSHDSACASA-N 0 0 214.305 2.271 50 0 BEAARN Cc1cc(C(=O)N(C)C(C)C)c(C)n1C ZINC000241969549 386545860 /nfs/dbraw/zinc/54/58/60/386545860.db2.gz UXKQHVCCSCJNTQ-UHFFFAOYSA-N 0 0 208.305 2.122 50 0 BEAARN Cc1ccc(/C=C\C(=O)NCc2ccccn2)o1 ZINC000005784380 386548652 /nfs/dbraw/zinc/54/86/52/386548652.db2.gz QGEMQFGIZFACQF-FPLPWBNLSA-N 0 0 242.278 2.313 50 0 BEAARN c1cn(-c2ccc(Nc3ccccc3)nn2)cn1 ZINC000001425839 386639582 /nfs/dbraw/zinc/63/95/82/386639582.db2.gz FJHISDRNODLIQF-UHFFFAOYSA-N 0 0 237.266 2.406 50 0 BEAARN CC(C)CCNC(=O)[C@@H]1COc2ccccc2C1 ZINC000015786108 386656309 /nfs/dbraw/zinc/65/63/09/386656309.db2.gz SPGATVATPFZQBA-ZDUSSCGKSA-N 0 0 247.338 2.400 50 0 BEAARN O=C(C/C=C/Cc1ccccc1)NCCCCO ZINC000585122252 386676351 /nfs/dbraw/zinc/67/63/51/386676351.db2.gz TUWJLTMFRHDZOF-SNAWJCMRSA-N 0 0 247.338 2.064 50 0 BEAARN Cc1nc[nH]c1CNC(=O)c1ccccc1Cl ZINC000220675602 386735912 /nfs/dbraw/zinc/73/59/12/386735912.db2.gz VCWQFEHFOPTQAC-UHFFFAOYSA-N 0 0 249.701 2.302 50 0 BEAARN Cn1cc(-c2nc3ccccc3s2)c(N)n1 ZINC000004073056 386736884 /nfs/dbraw/zinc/73/68/84/386736884.db2.gz WIJYBXNKRHTNSW-UHFFFAOYSA-N 0 0 230.296 2.279 50 0 BEAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000049548704 386772956 /nfs/dbraw/zinc/77/29/56/386772956.db2.gz XDBWFEXDSGMXPY-JTQLQIEISA-N 0 0 243.266 2.249 50 0 BEAARN CCn1nccc1CN1CCOc2ccccc21 ZINC000184942181 386826746 /nfs/dbraw/zinc/82/67/46/386826746.db2.gz HETSVQQYHUURNF-UHFFFAOYSA-N 0 0 243.310 2.302 50 0 BEAARN O=C1OCC[C@@H]1N1CC=C(c2ccccc2)CC1 ZINC000012915325 386896563 /nfs/dbraw/zinc/89/65/63/386896563.db2.gz KCZPRPKQXPDCFQ-AWEZNQCLSA-N 0 0 243.306 2.091 50 0 BEAARN CN(Cc1cccc(F)c1)C(=O)c1ccccn1 ZINC000033000186 386905134 /nfs/dbraw/zinc/90/51/34/386905134.db2.gz RKDCFDFIWKEWLY-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccco1 ZINC000248825082 386996696 /nfs/dbraw/zinc/99/66/96/386996696.db2.gz KCWRIZBNBAIIQF-DRZSPHRISA-N 0 0 249.310 2.053 50 0 BEAARN CCSCCCNC(=O)C1CCCC1 ZINC000190914611 387036627 /nfs/dbraw/zinc/03/66/27/387036627.db2.gz KJYROBMBGIFZEZ-UHFFFAOYSA-N 0 0 215.362 2.436 50 0 BEAARN COC[C@@H](C)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000053195955 387009136 /nfs/dbraw/zinc/00/91/36/387009136.db2.gz FEWADIVOGIYACD-SECBINFHSA-N 0 0 246.314 2.227 50 0 BEAARN Fc1cc2cccnc2c(Cn2cncn2)c1 ZINC000075138574 387009843 /nfs/dbraw/zinc/00/98/43/387009843.db2.gz SLFBDYWWJAOOIQ-UHFFFAOYSA-N 0 0 228.230 2.014 50 0 BEAARN O=C(Nc1ccccc1-n1cncn1)C1CCC1 ZINC000028024166 387016748 /nfs/dbraw/zinc/01/67/48/387016748.db2.gz QUOGZKCORWEJTD-UHFFFAOYSA-N 0 0 242.282 2.006 50 0 BEAARN C[C@@]1(C(=O)N[C@@H]2CC=CCC2)CC1(F)F ZINC000334985479 387074027 /nfs/dbraw/zinc/07/40/27/387074027.db2.gz DGLDDBFTSZXVHF-SCZZXKLOSA-N 0 0 215.243 2.257 50 0 BEAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C)o1 ZINC000053366155 387113274 /nfs/dbraw/zinc/11/32/74/387113274.db2.gz FVJKGWIZPAXWOU-KOLCDFICSA-N 0 0 221.300 2.424 50 0 BEAARN O=C(/C=C/c1ccccc1)Nc1cnoc1 ZINC000075170806 387156185 /nfs/dbraw/zinc/15/61/85/387156185.db2.gz HCZVAIAXOLIRRN-VOTSOKGWSA-N 0 0 214.224 2.327 50 0 BEAARN O=C([C@@H]1CCCO1)N1CCC2(C1)CCCCC2 ZINC000089818542 387187065 /nfs/dbraw/zinc/18/70/65/387187065.db2.gz MHCNNHLDGSOLIS-LBPRGKRZSA-N 0 0 237.343 2.348 50 0 BEAARN O=C1CCC(=O)N1CCc1ccccc1Cl ZINC000057529116 387135858 /nfs/dbraw/zinc/13/58/58/387135858.db2.gz YSCWQZVASXOUBQ-UHFFFAOYSA-N 0 0 237.686 2.032 50 0 BEAARN Cc1ccc(C)n1-c1nc(C(=O)N(C)C)cs1 ZINC000064552380 387217109 /nfs/dbraw/zinc/21/71/09/387217109.db2.gz YLSCNQBYKIPANX-UHFFFAOYSA-N 0 0 249.339 2.252 50 0 BEAARN Cc1cc(C(N)=O)c2cc(Cl)ccc2n1 ZINC000064553226 387219406 /nfs/dbraw/zinc/21/94/06/387219406.db2.gz IENIYAWPHLJWFG-UHFFFAOYSA-N 0 0 220.659 2.296 50 0 BEAARN CC[C@@H](C)[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000037246007 387251082 /nfs/dbraw/zinc/25/10/82/387251082.db2.gz TZPOCDBWQWIDSX-PWSUYJOCSA-N 0 0 221.300 2.103 50 0 BEAARN Cn1cc([C@@H](O)CC[NH+](C)C)c2ccccc21 ZINC000037632761 387258055 /nfs/dbraw/zinc/25/80/55/387258055.db2.gz PTUYVEZDTGPBRY-AWEZNQCLSA-N 0 0 232.327 2.163 50 0 BEAARN COc1ccc(COCC[C@@H](C)CO)cc1 ZINC000044882586 387273500 /nfs/dbraw/zinc/27/35/00/387273500.db2.gz XWIPBWCLWRPHSZ-LLVKDONJSA-N 0 0 224.300 2.230 50 0 BEAARN O=C1CC(=O)[C@@H]2c3ccccc3CC[C@H]2C1 ZINC000045027557 387274782 /nfs/dbraw/zinc/27/47/82/387274782.db2.gz WULHCTYABJYDEK-HZMBPMFUSA-N 0 0 214.264 2.265 50 0 BEAARN CN(Cc1cccc(Cl)c1)[C@@H]1CCOC1=O ZINC000089361505 387299406 /nfs/dbraw/zinc/29/94/06/387299406.db2.gz KZZBFSSWMCQOGB-LLVKDONJSA-N 0 0 239.702 2.087 50 0 BEAARN CC(C)(C)[C@H]1CC[C@@](O)(C(=O)CCCO)CC1 ZINC000101921215 387305574 /nfs/dbraw/zinc/30/55/74/387305574.db2.gz DGABQKYVDQATOF-YEORSEQZSA-N 0 0 242.359 2.295 50 0 BEAARN Cc1nc(-c2cccc(NC(=O)C3CC3)c2)no1 ZINC000035537938 387368182 /nfs/dbraw/zinc/36/81/82/387368182.db2.gz XZVIELCTLXPYDC-UHFFFAOYSA-N 0 0 243.266 2.394 50 0 BEAARN Cc1csc(C2=C(N)N(C3CC3)CC2=O)n1 ZINC000102732569 387347938 /nfs/dbraw/zinc/34/79/38/387347938.db2.gz FFMYFPUUKIZAHF-UHFFFAOYSA-N 0 0 235.312 2.176 50 0 BEAARN C[C@@H](Cc1ccoc1)NC(=O)C(C)(C)C ZINC000084827289 387453793 /nfs/dbraw/zinc/45/37/93/387453793.db2.gz NLNAPPPLXBDJQE-VIFPVBQESA-N 0 0 209.289 2.373 50 0 BEAARN C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1 ZINC000012985362 387386935 /nfs/dbraw/zinc/38/69/35/387386935.db2.gz WQROHDSVCZRZGO-SNVBAGLBSA-N 0 0 248.326 2.176 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1C ZINC000012984715 387387091 /nfs/dbraw/zinc/38/70/91/387387091.db2.gz FTVIOYWIJQZVJZ-KCJUWKMLSA-N 0 0 247.294 2.376 50 0 BEAARN Cc1oncc1CNC(=O)c1ccccc1C ZINC000575604620 387388324 /nfs/dbraw/zinc/38/83/24/387388324.db2.gz ASUXUXUSNCZRSP-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN Cc1ccnc(N2CCOc3ccccc3C2)n1 ZINC000575607178 387393626 /nfs/dbraw/zinc/39/36/26/387393626.db2.gz LUDMKEQNECZMHZ-UHFFFAOYSA-N 0 0 241.294 2.184 50 0 BEAARN CCONC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000040476694 387420206 /nfs/dbraw/zinc/42/02/06/387420206.db2.gz VKSQOZWFRYXPCR-MWLCHTKSSA-N 0 0 237.299 2.403 50 0 BEAARN O=c1[nH]c(-c2ccc(O)cc2)nc2ccccc21 ZINC000005177943 387512953 /nfs/dbraw/zinc/51/29/53/387512953.db2.gz HMZVOPJPTNTGGO-UHFFFAOYSA-N 0 0 238.246 2.296 50 0 in-vitro BEAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(O)cc1 ZINC000100508111 387471501 /nfs/dbraw/zinc/47/15/01/387471501.db2.gz LMOIVGIHFWMMDP-TXEJJXNPSA-N 0 0 245.278 2.072 50 0 BEAARN O=C(NC[C@@H]1CCCN1c1ccccc1)C1CC1 ZINC000211114195 387479957 /nfs/dbraw/zinc/47/99/57/387479957.db2.gz UYIMCJNEIDUOKT-AWEZNQCLSA-N 0 0 244.338 2.182 50 0 BEAARN CCN(C)C(=O)c1ccc(-c2cccnc2)nc1 ZINC000426582876 387581505 /nfs/dbraw/zinc/58/15/05/387581505.db2.gz SOROKTJHQSBLNC-UHFFFAOYSA-N 0 0 241.294 2.236 50 0 BEAARN COc1ccc(-c2n[nH]c(C3CCC3)n2)cn1 ZINC000426707176 387586906 /nfs/dbraw/zinc/58/69/06/387586906.db2.gz KCLCFSBFPZZVPM-UHFFFAOYSA-N 0 0 230.271 2.143 50 0 BEAARN C[C@@H](S[C@@H](C)CO)C(=O)Nc1ccccc1 ZINC000160709746 387556847 /nfs/dbraw/zinc/55/68/47/387556847.db2.gz QTSFDQRSNFGVLH-VHSXEESVSA-N 0 0 239.340 2.128 50 0 BEAARN CCc1c(-c2ccc(N(C)C)nc2)cnn1C ZINC000426398022 387565735 /nfs/dbraw/zinc/56/57/35/387565735.db2.gz HBWCBSHGGSRKIR-UHFFFAOYSA-N 0 0 230.315 2.111 50 0 BEAARN c1cnn(-c2ccc(-c3cnsn3)cc2)c1 ZINC000426492900 387576019 /nfs/dbraw/zinc/57/60/19/387576019.db2.gz OHBXSWQVKQCXSH-UHFFFAOYSA-N 0 0 228.280 2.391 50 0 BEAARN COc1cc(F)ccc1-c1cnn(C)c1C(C)=O ZINC000426529271 387578233 /nfs/dbraw/zinc/57/82/33/387578233.db2.gz LBXMQJFJQJASRV-UHFFFAOYSA-N 0 0 248.257 2.437 50 0 BEAARN CCOc1ncccc1-c1cnn2cccnc12 ZINC000426517752 387578747 /nfs/dbraw/zinc/57/87/47/387578747.db2.gz BCWKTAPFTINRBL-UHFFFAOYSA-N 0 0 240.266 2.190 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)c2ccncc2)o1 ZINC000006715493 387744743 /nfs/dbraw/zinc/74/47/43/387744743.db2.gz RVKZLIVJDQTTJP-JTQLQIEISA-N 0 0 230.267 2.474 50 0 BEAARN Cc1cc(C)cc(NC(=O)[C@H](C)n2cncn2)c1 ZINC000027581190 177908395 /nfs/dbraw/zinc/90/83/95/177908395.db2.gz APIBGVAZBXKCFW-NSHDSACASA-N 0 0 244.298 2.095 50 0 BEAARN O=S(=O)(Cc1ccccc1)c1ccccn1 ZINC000047620554 387778470 /nfs/dbraw/zinc/77/84/70/387778470.db2.gz DHGLVTBPYFPTFX-UHFFFAOYSA-N 0 0 233.292 2.056 50 0 BEAARN O=C(NCc1cncc(C2CC2)c1)c1ccco1 ZINC000575619920 387796007 /nfs/dbraw/zinc/79/60/07/387796007.db2.gz PMRCKPYGGOQACM-UHFFFAOYSA-N 0 0 242.278 2.482 50 0 BEAARN CONC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000053496494 387796508 /nfs/dbraw/zinc/79/65/08/387796508.db2.gz RTELKGJSRAOZOA-UHFFFAOYSA-N 0 0 248.282 2.037 50 0 BEAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000006730711 387809860 /nfs/dbraw/zinc/80/98/60/387809860.db2.gz HLXFNTVBNKCAEP-CABZTGNLSA-N 0 0 237.274 2.123 50 0 BEAARN Cc1cc(CNC(=O)CCC(F)(F)F)ccn1 ZINC000452429393 387823061 /nfs/dbraw/zinc/82/30/61/387823061.db2.gz VYYUWATZFAPYRI-UHFFFAOYSA-N 0 0 246.232 2.349 50 0 BEAARN Cc1cc(C(=O)Nc2ccccc2F)n[nH]1 ZINC000006736872 387842082 /nfs/dbraw/zinc/84/20/82/387842082.db2.gz CYRLEAFECLOLNR-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN COc1cc(CO)c(OC)c2ccccc12 ZINC000039186541 387847449 /nfs/dbraw/zinc/84/74/49/387847449.db2.gz TVXWHCOBSAZDNL-UHFFFAOYSA-N 0 0 218.252 2.349 50 0 BEAARN Cc1ccc(/C=C\C(=O)NC[C@H]2CCCO2)cc1 ZINC000006797762 387904822 /nfs/dbraw/zinc/90/48/22/387904822.db2.gz YFJUGZZDVDZNTD-QIAWRQBBSA-N 0 0 245.322 2.303 50 0 BEAARN CN(C)C1(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000521395323 387916119 /nfs/dbraw/zinc/91/61/19/387916119.db2.gz BVCVOHKVGQQOEN-UHFFFAOYSA-N 0 0 244.338 2.208 50 0 BEAARN CC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1C ZINC000019505546 387916683 /nfs/dbraw/zinc/91/66/83/387916683.db2.gz BMSVXURYDSJPDJ-KWQFWETISA-N 0 0 217.268 2.484 50 0 BEAARN Cc1cc(C)c(C(=O)N2CCOCC2)c(C)c1 ZINC000006728599 177843064 /nfs/dbraw/zinc/84/30/64/177843064.db2.gz KMOQAULZQIRIEI-UHFFFAOYSA-N 0 0 233.311 2.084 50 0 BEAARN CCCCCSCc1nccc(N)n1 ZINC000180729731 387933069 /nfs/dbraw/zinc/93/30/69/387933069.db2.gz YQQHYAJSDDZHPB-UHFFFAOYSA-N 0 0 211.334 2.482 50 0 BEAARN C/C=C/C(=O)N(CC)CCOc1ccccc1 ZINC000025629698 387935872 /nfs/dbraw/zinc/93/58/72/387935872.db2.gz RKGSOQCFJDSDLC-FPYGCLRLSA-N 0 0 233.311 2.490 50 0 BEAARN Cc1cc(C(=O)c2ccccc2)nc(C)n1 ZINC000239563083 177826672 /nfs/dbraw/zinc/82/66/72/177826672.db2.gz UMWGZHFLXVNCGR-UHFFFAOYSA-N 0 0 212.252 2.324 50 0 BEAARN CCn1nccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000028575772 387975669 /nfs/dbraw/zinc/97/56/69/387975669.db2.gz HIXPLQJMNKWAHQ-QWRGUYRKSA-N 0 0 235.331 2.021 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000000426255 177801906 /nfs/dbraw/zinc/80/19/06/177801906.db2.gz GWRNZKZNEMXLEA-JTQLQIEISA-N 0 0 230.267 2.474 50 0 BEAARN CC(=O)O[C@H]1CCc2ccccc2[C@@H]1OC(C)=O ZINC000004667595 322813534 /nfs/dbraw/zinc/81/35/34/322813534.db2.gz PWDTYDXUIYVSGG-KBPBESRZSA-N 0 0 248.278 2.169 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCOC1 ZINC000246158864 388013690 /nfs/dbraw/zinc/01/36/90/388013690.db2.gz NQPNPEVKUAGVCJ-VOAKCMCISA-N 0 0 237.343 2.203 50 0 BEAARN Cc1nc(-c2cc(-c3ccccc3)on2)n[nH]1 ZINC000065493598 388015750 /nfs/dbraw/zinc/01/57/50/388015750.db2.gz BSQXYTDHKVNVRJ-UHFFFAOYSA-N 0 0 226.239 2.435 50 0 BEAARN Cc1nc(C)c(C(=O)Nc2ncccc2O)s1 ZINC000065519246 388081450 /nfs/dbraw/zinc/08/14/50/388081450.db2.gz CQIDYMYEYTXAIC-UHFFFAOYSA-N 0 0 249.295 2.113 50 0 BEAARN C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000267003334 388094288 /nfs/dbraw/zinc/09/42/88/388094288.db2.gz DYCIXKSKOLWLPX-GXTWGEPZSA-N 0 0 247.338 2.414 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccnc(N(C)C)c1 ZINC000042484150 388095467 /nfs/dbraw/zinc/09/54/67/388095467.db2.gz AUYAPFSVQYSWFZ-WDZFZDKYSA-N 0 0 247.342 2.120 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)NCc1ccco1 ZINC000065587883 388099182 /nfs/dbraw/zinc/09/91/82/388099182.db2.gz QRRFIKSVMPKUMJ-SNVBAGLBSA-N 0 0 248.282 2.303 50 0 BEAARN CCN(C)C(=O)NCc1cccc(C)c1 ZINC000071854050 388120996 /nfs/dbraw/zinc/12/09/96/388120996.db2.gz DSKIMAYHFKRTNW-UHFFFAOYSA-N 0 0 206.289 2.156 50 0 BEAARN C[Si](C)(C)Cn1cnc(C2CCC2)cc1=O ZINC000170591041 388238120 /nfs/dbraw/zinc/23/81/20/388238120.db2.gz JJCHRRFVHSBOMG-UHFFFAOYSA-N 0 0 236.391 2.388 50 0 BEAARN Cc1noc(C)c1COc1coc(C)cc1=O ZINC000170603540 388243244 /nfs/dbraw/zinc/24/32/44/388243244.db2.gz RTIAXPMYULPKQQ-UHFFFAOYSA-N 0 0 235.239 2.132 50 0 BEAARN CO[C@@H](C)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000056035453 388345809 /nfs/dbraw/zinc/34/58/09/388345809.db2.gz VANPDXBSBXOEAL-CMPLNLGQSA-N 0 0 225.332 2.203 50 0 BEAARN CC[C@@H](CSC)Nc1nccc(OC)n1 ZINC000162142807 388347720 /nfs/dbraw/zinc/34/77/20/388347720.db2.gz ZDJXFDOLYHEFHF-QMMMGPOBSA-N 0 0 227.333 2.039 50 0 BEAARN COc1ncccc1CNCc1ccc(C)cn1 ZINC000089652284 388358224 /nfs/dbraw/zinc/35/82/24/388358224.db2.gz NQKLXEUNCMBJTG-UHFFFAOYSA-N 0 0 243.310 2.083 50 0 BEAARN CCOCCS(=O)(=O)c1ccc(C)c(C)c1 ZINC000057875908 388370109 /nfs/dbraw/zinc/37/01/09/388370109.db2.gz QCJJNQSKAFRLDN-UHFFFAOYSA-N 0 0 242.340 2.114 50 0 BEAARN COc1ccc(CNc2ncccn2)cc1OC ZINC000003330509 388373797 /nfs/dbraw/zinc/37/37/97/388373797.db2.gz PIUVSHNQWMARJD-UHFFFAOYSA-N 0 0 245.282 2.106 50 0 BEAARN CCO[C@H](C)c1noc([C@@H]2CCCOC2)n1 ZINC000089984971 388379550 /nfs/dbraw/zinc/37/95/50/388379550.db2.gz BQHWIFQXCJDEAA-RKDXNWHRSA-N 0 0 226.276 2.061 50 0 BEAARN CCCCNC(=O)c1cc(-c2ccco2)on1 ZINC000003908387 388388571 /nfs/dbraw/zinc/38/85/71/388388571.db2.gz VNCZVECNTNPSGJ-UHFFFAOYSA-N 0 0 234.255 2.465 50 0 BEAARN O=C1NC(=O)C(=Cc2c[nH]c3ccccc23)S1 ZINC000017057339 388389994 /nfs/dbraw/zinc/38/99/94/388389994.db2.gz YRPCEGFPKMQCHL-BJMVGYQFSA-N 0 0 244.275 2.492 50 0 BEAARN CSCCNc1nnc(C(F)(F)F)s1 ZINC000153236855 388393487 /nfs/dbraw/zinc/39/34/87/388393487.db2.gz IJDGRVURKSARCK-UHFFFAOYSA-N 0 0 243.279 2.332 50 0 BEAARN CC(C)Cn1cc(NCc2ccc(CO)o2)cn1 ZINC000090200096 388398494 /nfs/dbraw/zinc/39/84/94/388398494.db2.gz UKFQBVMODYUPFQ-UHFFFAOYSA-N 0 0 249.314 2.237 50 0 BEAARN Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000008302018 388403705 /nfs/dbraw/zinc/40/37/05/388403705.db2.gz HTAXYGWZKFXSHH-CYBMUJFWSA-N 0 0 233.311 2.352 50 0 BEAARN O=C(Nc1nccs1)c1ccc2[nH]cnc2c1 ZINC000009912417 388443136 /nfs/dbraw/zinc/44/31/36/388443136.db2.gz QFGBJTBUBDGTBC-UHFFFAOYSA-N 0 0 244.279 2.272 50 0 BEAARN CC(C)CCC(=O)Nc1cccc(C(N)=O)c1 ZINC000010277267 388445347 /nfs/dbraw/zinc/44/53/47/388445347.db2.gz CQILLQYZUCMIJJ-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN COC(=O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506532 388462944 /nfs/dbraw/zinc/46/29/44/388462944.db2.gz BFZWFTYQVMTZEB-GFCCVEGCSA-N 0 0 237.274 2.136 50 0 BEAARN CN(C)c1ncccc1N(C)C(=O)c1ccco1 ZINC000075106189 388467638 /nfs/dbraw/zinc/46/76/38/388467638.db2.gz AEBLFEKTTPBUIF-UHFFFAOYSA-N 0 0 245.282 2.017 50 0 BEAARN Cc1ccc(NC(=O)N(C)C[C@@H]2CCOC2)cc1 ZINC000175153270 388468924 /nfs/dbraw/zinc/46/89/24/388468924.db2.gz WYIUKYGZGNWFMQ-LBPRGKRZSA-N 0 0 248.326 2.495 50 0 BEAARN Cc1cnn(CCCc2ccccc2C)c(=O)c1 ZINC000195429694 388471330 /nfs/dbraw/zinc/47/13/30/388471330.db2.gz BONFAPJNIWPLFC-UHFFFAOYSA-N 0 0 242.322 2.493 50 0 BEAARN COC(=O)c1ccc(OCc2cc(C)no2)cc1 ZINC000040005758 388411681 /nfs/dbraw/zinc/41/16/81/388411681.db2.gz USHKLEOMYRYJCO-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)on1 ZINC000039981954 388411749 /nfs/dbraw/zinc/41/17/49/388411749.db2.gz OXHVFSIBEPDKFY-VIFPVBQESA-N 0 0 234.255 2.375 50 0 BEAARN COC[C@@H](C)NC(=O)c1c(F)cccc1Cl ZINC000040042858 388412027 /nfs/dbraw/zinc/41/20/27/388412027.db2.gz KTEKEDXBSKGRIR-SSDOTTSWSA-N 0 0 245.681 2.244 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1cccn1C ZINC000069056645 388412517 /nfs/dbraw/zinc/41/25/17/388412517.db2.gz CVUCTYYGFAFUEY-LLVKDONJSA-N 0 0 220.316 2.430 50 0 BEAARN FC(F)(F)c1cc(-c2cccnc2)n[nH]1 ZINC000000171016 388414398 /nfs/dbraw/zinc/41/43/98/388414398.db2.gz HLZNBWOEBYXDEO-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN Cc1nc(C(=O)OC[C@@H]2CCCCO2)cs1 ZINC000069315092 388414409 /nfs/dbraw/zinc/41/44/09/388414409.db2.gz QJYJRUWZWXMCHL-VIFPVBQESA-N 0 0 241.312 2.177 50 0 BEAARN O=C1OCC[C@@H]1N1CCC(c2ccccc2)CC1 ZINC000069415047 388415893 /nfs/dbraw/zinc/41/58/93/388415893.db2.gz WNEPGPJXCQNPDO-AWEZNQCLSA-N 0 0 245.322 2.182 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)no1 ZINC000069461068 388416785 /nfs/dbraw/zinc/41/67/85/388416785.db2.gz HJPQRCRRMBMPCX-LLVKDONJSA-N 0 0 222.288 2.244 50 0 BEAARN Cc1ccc(OCCN(C)C(=O)C2CC2)cc1 ZINC000040468233 388416935 /nfs/dbraw/zinc/41/69/35/388416935.db2.gz SUTXEYLJNSUSQN-UHFFFAOYSA-N 0 0 233.311 2.242 50 0 BEAARN CC[C@@H](C)c1ccc(OCC(N)=O)cc1 ZINC000040456769 388417086 /nfs/dbraw/zinc/41/70/86/388417086.db2.gz RBMRJIKWOBGISU-SECBINFHSA-N 0 0 207.273 2.064 50 0 BEAARN CCONC(=O)c1cccnc1SC(F)F ZINC000040476689 388417483 /nfs/dbraw/zinc/41/74/83/388417483.db2.gz DJLPIHWQBHYIKQ-UHFFFAOYSA-N 0 0 248.254 2.078 50 0 BEAARN O=C(CC(F)(F)F)NCc1ccccc1F ZINC000040490341 388417741 /nfs/dbraw/zinc/41/77/41/388417741.db2.gz QBWVEJDCESMURI-UHFFFAOYSA-N 0 0 235.180 2.394 50 0 BEAARN CC(C)CCNC(=O)CC[C@H]1CCCO1 ZINC000040505983 388419141 /nfs/dbraw/zinc/41/91/41/388419141.db2.gz BIORZQFZNBNGIP-LLVKDONJSA-N 0 0 213.321 2.108 50 0 BEAARN CCO[C@H](C)C(=O)NCc1ccc(Cl)s1 ZINC000040534055 388420372 /nfs/dbraw/zinc/42/03/72/388420372.db2.gz CYNUCKHKZUCLMV-SSDOTTSWSA-N 0 0 247.747 2.443 50 0 BEAARN CC(C)(C)CNC(=O)NOCc1ccccc1 ZINC000069654508 388422733 /nfs/dbraw/zinc/42/27/33/388422733.db2.gz QDDMGDKYRHQNOQ-UHFFFAOYSA-N 0 0 236.315 2.464 50 0 BEAARN CCc1ccc([C@H](O)c2nccn2C)cc1 ZINC000009421099 388432987 /nfs/dbraw/zinc/43/29/87/388432987.db2.gz KEUBWLFIROMSGD-LBPRGKRZSA-N 0 0 216.284 2.064 50 0 BEAARN Cc1cnc(C)c(NCCc2ccncc2C)n1 ZINC000195563952 388488053 /nfs/dbraw/zinc/48/80/53/388488053.db2.gz YMEXFXWSARXJJP-UHFFFAOYSA-N 0 0 242.326 2.451 50 0 BEAARN CC(C)(C)C[C@@H](CO)NC(=O)C1C=CC=CC=C1 ZINC000253407648 388591057 /nfs/dbraw/zinc/59/10/57/388591057.db2.gz HJYQWCXJBCEYOR-ZDUSSCGKSA-N 0 0 249.354 2.198 50 0 BEAARN CC(C)c1nc(CN2C[C@@H](C)O[C@@H](C)C2)co1 ZINC000253427544 388592384 /nfs/dbraw/zinc/59/23/84/388592384.db2.gz FZKKQZVIIJAFGG-PHIMTYICSA-N 0 0 238.331 2.407 50 0 BEAARN CSCC(=O)N[C@@H](C)Cc1ccccc1C ZINC000339640343 388597214 /nfs/dbraw/zinc/59/72/14/388597214.db2.gz TYRPWHXUIAORPF-NSHDSACASA-N 0 0 237.368 2.405 50 0 BEAARN CSCC(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000107064941 388599011 /nfs/dbraw/zinc/59/90/11/388599011.db2.gz JCOXCATWCBUZFZ-INTQDDNPSA-N 0 0 244.356 2.096 50 0 BEAARN c1ccc2c(c1)[nH]c1c2CC2(CC1)OCCO2 ZINC000001401699 388573047 /nfs/dbraw/zinc/57/30/47/388573047.db2.gz YYVAQBRMUPGCDE-UHFFFAOYSA-N 0 0 229.279 2.400 50 0 BEAARN CCCCOC(=O)CC[C@H]1CCCC1=O ZINC000002280341 388577114 /nfs/dbraw/zinc/57/71/14/388577114.db2.gz GDZZOGLFHYDUOV-SNVBAGLBSA-N 0 0 212.289 2.479 50 0 BEAARN Cc1nnc(NC(=O)Cc2cccs2)s1 ZINC000000380468 388618578 /nfs/dbraw/zinc/61/85/78/388618578.db2.gz DHOSDVZDSQSRMS-UHFFFAOYSA-N 0 0 239.325 2.089 50 0 BEAARN Cc1cc(CN(C)Cc2c[nH]cn2)ccc1F ZINC000361334385 388637786 /nfs/dbraw/zinc/63/77/86/388637786.db2.gz GRBZMTVHKMQAKQ-UHFFFAOYSA-N 0 0 233.290 2.489 50 0 BEAARN C[C@H]1CC[C@@H](CO)CN1C(=O)OC(C)(C)C ZINC000123720576 388656318 /nfs/dbraw/zinc/65/63/18/388656318.db2.gz VOQQCJIHTNEJEK-VHSXEESVSA-N 0 0 229.320 2.014 50 0 BEAARN CC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000089735828 388739878 /nfs/dbraw/zinc/73/98/78/388739878.db2.gz GFSCEBAWGKRIDW-SNVBAGLBSA-N 0 0 243.310 2.378 50 0 BEAARN CCS[C@H]1CCC[C@H](NC(=O)CCOC)C1 ZINC000079013377 388742684 /nfs/dbraw/zinc/74/26/84/388742684.db2.gz OHJLCUGFGXPSLQ-QWRGUYRKSA-N 0 0 245.388 2.203 50 0 BEAARN Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12 ZINC000008673150 177711991 /nfs/dbraw/zinc/71/19/91/177711991.db2.gz VYQVAZGEWOMQAM-UHFFFAOYSA-N 0 0 231.299 2.457 50 0 BEAARN CC(F)(F)CC(=O)Nc1cccc(O)c1 ZINC000277172476 388745519 /nfs/dbraw/zinc/74/55/19/388745519.db2.gz SERUTQGWOKSKIP-UHFFFAOYSA-N 0 0 215.199 2.376 50 0 BEAARN COC[C@@H](C)OC(=O)c1ccc(C)c(F)c1 ZINC000079102147 388745875 /nfs/dbraw/zinc/74/58/75/388745875.db2.gz BDQIPECRZDITBC-SECBINFHSA-N 0 0 226.247 2.326 50 0 BEAARN CC(=O)N1C[C@@H](C(C)C)Nc2ccccc21 ZINC000081793842 388722163 /nfs/dbraw/zinc/72/21/63/388722163.db2.gz IPWDUHZCLTVNON-LBPRGKRZSA-N 0 0 218.300 2.490 50 0 BEAARN Cc1nc(SCC(=O)c2ccccc2)n[nH]1 ZINC000018219329 388731430 /nfs/dbraw/zinc/73/14/30/388731430.db2.gz HPZJBUNBFWPSEH-UHFFFAOYSA-N 0 0 233.296 2.088 50 0 BEAARN CCCCC(=O)N[C@H](C)c1nnc(C)s1 ZINC000095940067 388792155 /nfs/dbraw/zinc/79/21/55/388792155.db2.gz QJHYKTOMTCUMGE-SSDOTTSWSA-N 0 0 227.333 2.214 50 0 BEAARN COC[C@H](C)N(C)c1nc2ccccc2o1 ZINC000095951835 388793918 /nfs/dbraw/zinc/79/39/18/388793918.db2.gz BYQLJGJWNFLTBX-VIFPVBQESA-N 0 0 220.272 2.299 50 0 BEAARN COC[C@H](C)N(C)c1ncnc2sccc21 ZINC000095951833 388793988 /nfs/dbraw/zinc/79/39/88/388793988.db2.gz QCQGTOQHCHDZIX-QMMMGPOBSA-N 0 0 237.328 2.162 50 0 BEAARN C[C@H](C[C@@H](O)c1cccs1)Nc1ncccn1 ZINC000095973069 388798522 /nfs/dbraw/zinc/79/85/22/388798522.db2.gz BOMTZTYGZXMGKJ-NXEZZACHSA-N 0 0 249.339 2.462 50 0 BEAARN C[C@@H](Cc1cccnc1)OC(=O)C[C@@H]1CCCO1 ZINC000095987700 388799064 /nfs/dbraw/zinc/79/90/64/388799064.db2.gz AUUKXDZIAHGXJB-AAEUAGOBSA-N 0 0 249.310 2.125 50 0 BEAARN CCC[C@H](C(=O)N1CC[C@H](CCO)C1)C(C)C ZINC000095979544 388800170 /nfs/dbraw/zinc/80/01/70/388800170.db2.gz IBKNEGULTHTECG-OLZOCXBDSA-N 0 0 241.375 2.290 50 0 BEAARN Cc1c(NC(=O)c2cc[nH]n2)cccc1N(C)C ZINC000095987389 388800348 /nfs/dbraw/zinc/80/03/48/388800348.db2.gz ABAQBNVTJRSUIS-UHFFFAOYSA-N 0 0 244.298 2.036 50 0 BEAARN CC/C=C\COC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000096298230 388814156 /nfs/dbraw/zinc/81/41/56/388814156.db2.gz XIZCHDVRYIZLJD-XLMCQVRKSA-N 0 0 234.299 2.033 50 0 BEAARN Cc1cc(-c2nc([C@@H]3CCOC3)no2)cc(C)n1 ZINC000096133555 388811296 /nfs/dbraw/zinc/81/12/96/388811296.db2.gz CWTHZOQHFKJELP-SNVBAGLBSA-N 0 0 245.282 2.252 50 0 BEAARN COCc1nc(C)cc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000095410695 388767064 /nfs/dbraw/zinc/76/70/64/388767064.db2.gz DEHDEWPPFROMEB-VXGBXAGGSA-N 0 0 247.342 2.168 50 0 BEAARN Cc1nc(Cn2c(Cl)cccc2=O)oc1C ZINC000095412836 388767676 /nfs/dbraw/zinc/76/76/76/388767676.db2.gz GANVCTWDOCZQKF-UHFFFAOYSA-N 0 0 238.674 2.155 50 0 BEAARN CN(CCSc1nc[nH]n1)c1ccccc1 ZINC000095414660 388767954 /nfs/dbraw/zinc/76/79/54/388767954.db2.gz SRBDOIWGAUHQHP-UHFFFAOYSA-N 0 0 234.328 2.033 50 0 BEAARN CCOc1ccccc1N(C)C(=O)[C@H]1CCOC1 ZINC000095438316 388770686 /nfs/dbraw/zinc/77/06/86/388770686.db2.gz ZKGHNCUQKDKKIZ-NSHDSACASA-N 0 0 249.310 2.085 50 0 BEAARN CCCc1nccn1Cc1cc(OC)ccn1 ZINC000095441049 388771733 /nfs/dbraw/zinc/77/17/33/388771733.db2.gz FJJNPDINZAYGNI-UHFFFAOYSA-N 0 0 231.299 2.288 50 0 BEAARN CC(C)N(C[C@@H](C)O)C(=O)C1CCCCC1 ZINC000095432288 388771759 /nfs/dbraw/zinc/77/17/59/388771759.db2.gz ZXEHIIMRNADFIM-LLVKDONJSA-N 0 0 227.348 2.185 50 0 BEAARN c1nc(Cn2nnnc2C2CCCCC2)cs1 ZINC000095444798 388773183 /nfs/dbraw/zinc/77/31/83/388773183.db2.gz HGZXGSGWEKMPAV-UHFFFAOYSA-N 0 0 249.343 2.226 50 0 BEAARN COC[C@@H](C)Nc1ncnc2ccsc21 ZINC000037375088 388812617 /nfs/dbraw/zinc/81/26/17/388812617.db2.gz HQWNKGUTBLKZTM-SSDOTTSWSA-N 0 0 223.301 2.138 50 0 BEAARN C[C@@H]1C[C@H](C(=O)OC2(C)CCC2)CCC1=O ZINC000095461536 388775229 /nfs/dbraw/zinc/77/52/29/388775229.db2.gz KZHQJEHEUQINIJ-NXEZZACHSA-N 0 0 224.300 2.478 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccc(N(C)C)nc1 ZINC000096305657 388815041 /nfs/dbraw/zinc/81/50/41/388815041.db2.gz JEJRPQGOPAOISF-IZZDOVSWSA-N 0 0 247.342 2.120 50 0 BEAARN COCc1noc(C(Cl)(Cl)Cl)n1 ZINC000096347470 388815935 /nfs/dbraw/zinc/81/59/35/388815935.db2.gz XVMWVDAILDQEAT-UHFFFAOYSA-N 0 0 231.466 2.043 50 0 BEAARN c1coc(-c2ccnc3nc(C4CC4)nn32)c1 ZINC000096345078 388816527 /nfs/dbraw/zinc/81/65/27/388816527.db2.gz HWKAOOFOXSLWQT-UHFFFAOYSA-N 0 0 226.239 2.262 50 0 BEAARN CC(C)(C(=O)Nc1cnccn1)c1cccs1 ZINC000125978442 388816689 /nfs/dbraw/zinc/81/66/89/388816689.db2.gz RBOPSZHBYINLRQ-UHFFFAOYSA-N 0 0 247.323 2.454 50 0 BEAARN O=C(c1ccon1)N1CCC2(CCCC2)CC1 ZINC000096414623 388818635 /nfs/dbraw/zinc/81/86/35/388818635.db2.gz YTXDCTNLFWLYRL-UHFFFAOYSA-N 0 0 234.299 2.471 50 0 BEAARN O=C(/C=C/c1ccco1)NCCCc1cnoc1 ZINC000252480070 388844376 /nfs/dbraw/zinc/84/43/76/388844376.db2.gz BUBJRDSGKYHGTL-AATRIKPKSA-N 0 0 246.266 2.030 50 0 BEAARN CC(C)C(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000334909402 388826053 /nfs/dbraw/zinc/82/60/53/388826053.db2.gz OBUJOCPJORNMSK-MRVPVSSYSA-N 0 0 205.248 2.146 50 0 BEAARN Cc1noc(C)c1C=NNc1ccccn1 ZINC000254569643 388830434 /nfs/dbraw/zinc/83/04/34/388830434.db2.gz VLDGNTVZKJEMNM-UHFFFAOYSA-N 0 0 216.244 2.132 50 0 BEAARN CC[C@H]1CCCN(c2nc(C)ns2)C1 ZINC000170642751 388832087 /nfs/dbraw/zinc/83/20/87/388832087.db2.gz YTHWIDXXLHRDHG-VIFPVBQESA-N 0 0 211.334 2.473 50 0 BEAARN CCOCCn1ccc2sccc2c1=O ZINC000097238224 388834957 /nfs/dbraw/zinc/83/49/57/388834957.db2.gz PUITWKCFPWVBJG-UHFFFAOYSA-N 0 0 223.297 2.100 50 0 BEAARN O=C(CCCn1cccc1)Nc1ccncc1O ZINC000097237577 388836060 /nfs/dbraw/zinc/83/60/60/388836060.db2.gz LHCLXPRRVPDEIX-UHFFFAOYSA-N 0 0 245.282 2.008 50 0 BEAARN C[C@H]1C[C@H]1c1cc(NC(=O)c2cccnc2)n[nH]1 ZINC000194589676 388838239 /nfs/dbraw/zinc/83/82/39/388838239.db2.gz AXXAEPUEHGERIL-WCBMZHEXSA-N 0 0 242.282 2.180 50 0 BEAARN Cn1ccnc1CN(C#N)c1ccc(F)cc1 ZINC000252483383 388851977 /nfs/dbraw/zinc/85/19/77/388851977.db2.gz FAESMYSXBIBKLI-UHFFFAOYSA-N 0 0 230.246 2.047 50 0 BEAARN Cc1cc(C2N=NC(=S)N2CC(C)C)no1 ZINC000006501298 177695109 /nfs/dbraw/zinc/69/51/09/177695109.db2.gz XSOJHRGJQVMBLX-UHFFFAOYSA-N 0 0 238.316 2.186 50 0 BEAARN Cc1c([C@@H](C)NC(=O)c2ccsc2)cnn1C ZINC000025000093 177629153 /nfs/dbraw/zinc/62/91/53/177629153.db2.gz KZNKYAGDIMKHAC-MRVPVSSYSA-N 0 0 249.339 2.281 50 0 BEAARN Cc1c([C@@H](C)NC(=O)C2CCCC2)cnn1C ZINC000025006362 177626572 /nfs/dbraw/zinc/62/65/72/177626572.db2.gz BHOISNYXIFTLCG-SECBINFHSA-N 0 0 235.331 2.096 50 0 BEAARN N#CNc1nccc(-c2cccs2)n1 ZINC000071376119 224491197 /nfs/dbraw/zinc/49/11/97/224491197.db2.gz OLSRMOXSBMORGZ-UHFFFAOYSA-N 0 0 202.242 2.098 50 0 BEAARN CCN(C)C(=O)Nc1cc(F)c(OC)cc1F ZINC000095412346 169685411 /nfs/dbraw/zinc/68/54/11/169685411.db2.gz YTZOAPILBUBREG-UHFFFAOYSA-N 0 0 244.241 2.457 50 0 BEAARN Cc1ccnc(N2CCC(F)(F)[C@@H](C)C2)n1 ZINC000291102797 132218008 /nfs/dbraw/zinc/21/80/08/132218008.db2.gz KPIBEAGYHMIRAI-QMMMGPOBSA-N 0 0 227.258 2.267 50 0 BEAARN Cc1cnc(C)nc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000328600140 132243336 /nfs/dbraw/zinc/24/33/36/132243336.db2.gz VVIHWKMBXORONB-ZWNOBZJWSA-N 0 0 247.342 2.097 50 0 BEAARN C[C@@H]1C[C@H](C)C(=O)N(c2ccccc2)C1=O ZINC000012408744 132243485 /nfs/dbraw/zinc/24/34/85/132243485.db2.gz MOBMIENCLDTUDW-AOOOYVTPSA-N 0 0 217.268 2.222 50 0 BEAARN Cc1cnc(C)nc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000328600138 132243647 /nfs/dbraw/zinc/24/36/47/132243647.db2.gz VVIHWKMBXORONB-GXFFZTMASA-N 0 0 247.342 2.097 50 0 BEAARN c1cc2c(s1)CCN(c1cnccn1)C2 ZINC000296649738 132308066 /nfs/dbraw/zinc/30/80/66/132308066.db2.gz FEJANIWAWZIRAS-UHFFFAOYSA-N 0 0 217.297 2.101 50 0 BEAARN CC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)c(N)c1 ZINC000000150199 132312910 /nfs/dbraw/zinc/31/29/10/132312910.db2.gz FMUUOIILUAMXTO-UWVGGRQHSA-N 0 0 248.326 2.085 50 0 BEAARN O=c1ccc2cc3c4c(c2o1)CCCN4CCC3 ZINC000000404075 132313531 /nfs/dbraw/zinc/31/35/31/132313531.db2.gz MZSOXGPKUOAXNY-UHFFFAOYSA-N 0 0 241.290 2.492 50 0 biogenic BEAARN Fc1cnc(Cl)nc1N1CCCCC1 ZINC000003219787 132315356 /nfs/dbraw/zinc/31/53/56/132315356.db2.gz IQCLACOTWKDRDD-UHFFFAOYSA-N 0 0 215.659 2.259 50 0 BEAARN Cc1ccc2c(c1)[C@H](O)C[C@@H](C)N2N=O ZINC000004673447 132316762 /nfs/dbraw/zinc/31/67/62/132316762.db2.gz FLFNKEWNZOUJJU-LDYMZIIASA-N 0 0 206.245 2.308 50 0 BEAARN Cc1ccc([C@@H]2NC(=O)c3ccccc3N2C)o1 ZINC000008710427 132319201 /nfs/dbraw/zinc/31/92/01/132319201.db2.gz QUNLJEPDJILOGT-CYBMUJFWSA-N 0 0 242.278 2.466 50 0 BEAARN S=C(NC1CC1)N1CCCc2ccccc21 ZINC000013839270 132322289 /nfs/dbraw/zinc/32/22/89/132322289.db2.gz PDMHQMWPZYKEBA-UHFFFAOYSA-N 0 0 232.352 2.476 50 0 BEAARN C[C@H]1CN(c2ccccc2C=O)C[C@H](C)O1 ZINC000020078945 132329665 /nfs/dbraw/zinc/32/96/65/132329665.db2.gz JSCXWWYPBOWKLA-QWRGUYRKSA-N 0 0 219.284 2.113 50 0 BEAARN CC[C@H]1CCCCN1c1ncccc1N ZINC000020317249 132331140 /nfs/dbraw/zinc/33/11/40/132331140.db2.gz SPUFTYVJANTLIY-JTQLQIEISA-N 0 0 205.305 2.433 50 0 BEAARN CCOC(=O)c1cccnc1N1CCC(C)CC1 ZINC000032826056 132335563 /nfs/dbraw/zinc/33/55/63/132335563.db2.gz VTAFZRWVWJNWIU-UHFFFAOYSA-N 0 0 248.326 2.495 50 0 BEAARN CC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000048803301 132355659 /nfs/dbraw/zinc/35/56/59/132355659.db2.gz FAKUXPQIHHCBCO-GHMZBOCLSA-N 0 0 248.326 2.259 50 0 BEAARN C[C@@H]1C[C@@H](C)C[NH+](c2ccc(N)cc2C(=O)[O-])C1 ZINC000053224670 132363010 /nfs/dbraw/zinc/36/30/10/132363010.db2.gz PEPUMPQTKIHPMR-NXEZZACHSA-N 0 0 248.326 2.449 50 0 BEAARN CC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000064554720 132389205 /nfs/dbraw/zinc/38/92/05/132389205.db2.gz DUHCXFUXSHPGEW-SSDOTTSWSA-N 0 0 225.675 2.474 50 0 BEAARN CCNC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000064554710 132389547 /nfs/dbraw/zinc/38/95/47/132389547.db2.gz WJAHUQPGPRINOV-VIFPVBQESA-N 0 0 220.272 2.003 50 0 BEAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C ZINC000032752779 133745059 /nfs/dbraw/zinc/74/50/59/133745059.db2.gz OHACVRCQXUWRTQ-UHFFFAOYSA-N 0 0 244.294 2.281 50 0 BEAARN CN(Cc1ccco1)C(=O)c1cc(F)c[nH]1 ZINC000335926679 134009130 /nfs/dbraw/zinc/00/91/30/134009130.db2.gz ZVLAZZXQOKWRKY-UHFFFAOYSA-N 0 0 222.219 2.019 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@H]2CF)oc1C ZINC000335977064 134031696 /nfs/dbraw/zinc/03/16/96/134031696.db2.gz KORCHRKXHGGIBY-JTQLQIEISA-N 0 0 225.263 2.471 50 0 BEAARN Cn1ccnc1SCc1ccc(F)cn1 ZINC000336046471 134063354 /nfs/dbraw/zinc/06/33/54/134063354.db2.gz DYJYAPNCIAEVDQ-UHFFFAOYSA-N 0 0 223.276 2.247 50 0 BEAARN O=C(NC1CC(F)(F)C1)NC1CCCC1 ZINC000336118923 134089407 /nfs/dbraw/zinc/08/94/07/134089407.db2.gz BDMIVSVRVNLJPQ-UHFFFAOYSA-N 0 0 218.247 2.026 50 0 BEAARN Cc1ccccc1N1N[C@](C)(C(C)C)NC1=O ZINC000334160391 134159811 /nfs/dbraw/zinc/15/98/11/134159811.db2.gz CNPOANYTRFRYKU-CYBMUJFWSA-N 0 0 233.315 2.401 50 0 BEAARN Fc1cnc(NCC2CCSCC2)cn1 ZINC000408523255 134809915 /nfs/dbraw/zinc/80/99/15/134809915.db2.gz IFCKXELWBHQEAF-UHFFFAOYSA-N 0 0 227.308 2.171 50 0 BEAARN c1cnc2cccc(OC[C@H]3COCCO3)c2c1 ZINC000408525126 134810145 /nfs/dbraw/zinc/81/01/45/134810145.db2.gz LUCSPBJNNCKHFA-LLVKDONJSA-N 0 0 245.278 2.029 50 0 BEAARN CC[C@@H](c1ccccc1)[C@H]1CNC(=O)C1 ZINC000238281942 134849059 /nfs/dbraw/zinc/84/90/59/134849059.db2.gz RJQXMTQXSQXQNP-NEPJUHHUSA-N 0 0 203.285 2.316 50 0 BEAARN Cc1cccc(NC(=O)c2ccncc2F)n1 ZINC000078072899 135091190 /nfs/dbraw/zinc/09/11/90/135091190.db2.gz XBWISZSMGKURNI-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000262272611 135288834 /nfs/dbraw/zinc/28/88/34/135288834.db2.gz UENXXFXKAOJOPS-OCCSQVGLSA-N 0 0 247.338 2.414 50 0 BEAARN CC(C)CC[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263347343 135348211 /nfs/dbraw/zinc/34/82/11/135348211.db2.gz OYUBWBMWWPJJHR-MNOVXSKESA-N 0 0 213.321 2.075 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000266002834 135363321 /nfs/dbraw/zinc/36/33/21/135363321.db2.gz JTZCUAFOGAKIOK-DGCLKSJQSA-N 0 0 233.311 2.024 50 0 BEAARN O=C(N[C@@H]1CCSC1)c1ccc(F)cc1 ZINC000081035340 135385395 /nfs/dbraw/zinc/38/53/95/135385395.db2.gz QCILHUPLPFYMRM-SNVBAGLBSA-N 0 0 225.288 2.061 50 0 BEAARN C[C@@H](F)CCNC(=O)N1CCC(C)CC1 ZINC000334423445 135401110 /nfs/dbraw/zinc/40/11/10/135401110.db2.gz SBLYEKLSWAVZNC-SNVBAGLBSA-N 0 0 216.300 2.176 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CC(CC(F)F)C1 ZINC000335385194 136088612 /nfs/dbraw/zinc/08/86/12/136088612.db2.gz RTWKSSKBEWGZNK-UHFFFAOYSA-N 0 0 228.242 2.050 50 0 BEAARN O=C(NCc1ccco1)[C@@H]1CCC[C@H](F)C1 ZINC000335562665 136106775 /nfs/dbraw/zinc/10/67/75/136106775.db2.gz JZBUGJKQHGRHPJ-ZJUUUORDSA-N 0 0 225.263 2.424 50 0 BEAARN CC(F)(F)C(C)(C)C(=O)N[C@H]1CC12CC2 ZINC000335566183 136108022 /nfs/dbraw/zinc/10/80/22/136108022.db2.gz YROASGIJUYHZJT-ZETCQYMHSA-N 0 0 217.259 2.337 50 0 BEAARN C[C@H](F)CCNC(=O)N1CC2(C1)CCCC2 ZINC000335576279 136111070 /nfs/dbraw/zinc/11/10/70/136111070.db2.gz NOEDGNCHOOYJPJ-JTQLQIEISA-N 0 0 228.311 2.320 50 0 BEAARN CC(F)(F)Cn1cnc(Br)c1 ZINC000585661698 397796954 /nfs/dbraw/zinc/79/69/54/397796954.db2.gz LFQMOWUEFFYVAW-UHFFFAOYSA-N 0 0 225.036 2.301 50 0 BEAARN CCOC[C@@H](C)Nc1ccc([S@@](C)=O)cc1 ZINC000097371333 397929940 /nfs/dbraw/zinc/92/99/40/397929940.db2.gz UYUHMSZIWBOKLC-HWPZZCPQSA-N 0 0 241.356 2.261 50 0 BEAARN COc1ncccc1CNC(=O)C[C@@H]1C=CCC1 ZINC000030306354 397998574 /nfs/dbraw/zinc/99/85/74/397998574.db2.gz FWVKAKSBJJXPNV-LLVKDONJSA-N 0 0 246.310 2.063 50 0 BEAARN CNC(=O)c1ccc(Br)cc1C ZINC000048190568 398046182 /nfs/dbraw/zinc/04/61/82/398046182.db2.gz NFMDVDVBIHOWTE-UHFFFAOYSA-N 0 0 228.089 2.117 50 0 BEAARN CCCCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000156495685 398020309 /nfs/dbraw/zinc/02/03/09/398020309.db2.gz VVIQQZHJMAJKHI-UHFFFAOYSA-N 0 0 244.298 2.002 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1ccsc1 ZINC000190678837 398039985 /nfs/dbraw/zinc/03/99/85/398039985.db2.gz IJNFJFJKSNQTRA-MRVPVSSYSA-N 0 0 214.286 2.330 50 0 BEAARN C[C@@H](NC(=O)C1CCOCC1)c1cccs1 ZINC000023271777 397977673 /nfs/dbraw/zinc/97/76/73/397977673.db2.gz XMWUGZGMVPRVIJ-SECBINFHSA-N 0 0 239.340 2.352 50 0 BEAARN Clc1ncc(CSc2nc[nH]n2)s1 ZINC000005753733 397983023 /nfs/dbraw/zinc/98/30/23/397983023.db2.gz DGJCDHZQSZQKPP-UHFFFAOYSA-N 0 0 232.721 2.207 50 0 BEAARN Cc1ccc(C)c(CN2C(=O)NC(C)(C)C2=O)c1 ZINC000039583863 398093155 /nfs/dbraw/zinc/09/31/55/398093155.db2.gz BNMGUKPJARJRSL-UHFFFAOYSA-N 0 0 246.310 2.134 50 0 BEAARN Cc1cc(NO)nc(-c2ccccc2)n1 ZINC000058158987 398071308 /nfs/dbraw/zinc/07/13/08/398071308.db2.gz YJRGQTPCSZVXDZ-UHFFFAOYSA-N 0 0 201.229 2.253 50 0 BEAARN COc1ccc(C(=O)Nc2ccncc2F)cc1 ZINC000095975717 398089176 /nfs/dbraw/zinc/08/91/76/398089176.db2.gz YAMMZHQMNCLTAM-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN Clc1cn2c(Br)cnc2cn1 ZINC000066322892 398090955 /nfs/dbraw/zinc/09/09/55/398090955.db2.gz WKFCIHMQPLOMFY-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Cc1noc(C)c1CN(C)Cc1cscn1 ZINC000051705777 398056999 /nfs/dbraw/zinc/05/69/99/398056999.db2.gz MQWINIQIKFOKFO-UHFFFAOYSA-N 0 0 237.328 2.380 50 0 BEAARN OCCC[C@@H]1Nc2ccccc2[C@@H]2OCC[C@@H]21 ZINC000198699097 398111611 /nfs/dbraw/zinc/11/16/11/398111611.db2.gz FQGNBLGCJWXWPK-XBFCOCLRSA-N 0 0 233.311 2.331 50 0 BEAARN CNC(=O)Nc1ccc(F)cc1Cl ZINC000000039673 173292890 /nfs/dbraw/zinc/29/28/90/173292890.db2.gz QVUBAJCJEDJFIT-UHFFFAOYSA-N 0 0 202.616 2.230 50 0 BEAARN CC(C)NC(=O)N[C@@H](C)c1ccccc1 ZINC000012916800 167075157 /nfs/dbraw/zinc/07/51/57/167075157.db2.gz UTFPHAVVQBCPNT-JTQLQIEISA-N 0 0 206.289 2.455 50 0 BEAARN CC(C)NC(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000048922368 167076840 /nfs/dbraw/zinc/07/68/40/167076840.db2.gz SJKIPJNJTHREBP-SNVBAGLBSA-N 0 0 236.315 2.031 50 0 BEAARN CC(C)NC(=O)c1ccc2ccccc2n1 ZINC000000459160 167087083 /nfs/dbraw/zinc/08/70/83/167087083.db2.gz MWZFFJAEAZQGLX-UHFFFAOYSA-N 0 0 214.268 2.373 50 0 BEAARN CCN(CCO)c1ccc(C(F)(F)F)cc1N ZINC000037897168 169860635 /nfs/dbraw/zinc/86/06/35/169860635.db2.gz ZYUXJRMBKYSXMP-UHFFFAOYSA-N 0 0 248.248 2.106 50 0 BEAARN Cc1cccc(NC(=O)N2CC[C@H]2C(F)F)n1 ZINC000585086519 487573385 /nfs/dbraw/zinc/57/33/85/487573385.db2.gz YLHHTAAEHQQRFR-QMMMGPOBSA-N 0 0 241.241 2.261 50 0 BEAARN Cc1ncc(Cn2cc(C(C)(C)C)nn2)s1 ZINC000585091541 487576999 /nfs/dbraw/zinc/57/69/99/487576999.db2.gz XYDGXBXXXQUFGA-UHFFFAOYSA-N 0 0 236.344 2.389 50 0 BEAARN CC(C)S(=O)(=O)NCc1ccccc1Cl ZINC000006358534 167319426 /nfs/dbraw/zinc/31/94/26/167319426.db2.gz AKTDAZWTXCUYKZ-UHFFFAOYSA-N 0 0 247.747 2.168 50 0 BEAARN O=C(Oc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000001584006 409533516 /nfs/dbraw/zinc/53/35/16/409533516.db2.gz XHDWIXUNOVEGHY-UHFFFAOYSA-N 0 0 249.266 2.400 50 0 BEAARN Cn1ccnc1[C@H](O)CCc1ccccc1 ZINC000069028408 410006636 /nfs/dbraw/zinc/00/66/36/410006636.db2.gz VQSZXGMRUDDAGZ-GFCCVEGCSA-N 0 0 216.284 2.086 50 0 BEAARN Brc1c[nH]nc1-c1cccnc1 ZINC000031990400 166095744 /nfs/dbraw/zinc/09/57/44/166095744.db2.gz QPQAWYNVLARCIB-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN CCc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)o1 ZINC000046437207 410119787 /nfs/dbraw/zinc/11/97/87/410119787.db2.gz WLRMJTPTUDAEKF-UWVGGRQHSA-N 0 0 237.299 2.091 50 0 BEAARN Brc1ccc2nccnc2c1 ZINC000000158698 166099878 /nfs/dbraw/zinc/09/98/78/166099878.db2.gz NOYFLUFQGFNMRB-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1cccc2nccnc12 ZINC000000353574 166100934 /nfs/dbraw/zinc/10/09/34/166100934.db2.gz UJEGBESUCWOWNQ-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1cncc(Br)n1 ZINC000040448732 166104835 /nfs/dbraw/zinc/10/48/35/166104835.db2.gz JXKQTRCEKQCAGH-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN Brc1ccnn1[C@H]1CCCCO1 ZINC000040456518 166103041 /nfs/dbraw/zinc/10/30/41/166103041.db2.gz CVHYIERLKZMAPH-MRVPVSSYSA-N 0 0 231.093 2.345 50 0 BEAARN Brc1ccccc1-n1cnnc1 ZINC000002492279 166103422 /nfs/dbraw/zinc/10/34/22/166103422.db2.gz LABLTPAPWLKQHB-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1cnc2ccncc2c1 ZINC000075252868 166103938 /nfs/dbraw/zinc/10/39/38/166103938.db2.gz WRSZLHTTXPEKBD-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1csc2cncnc12 ZINC000040448842 166105473 /nfs/dbraw/zinc/10/54/73/166105473.db2.gz PDQOYFDDMSKPQP-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Brc1cnn(Cc2ccncc2)c1 ZINC000038074743 166106742 /nfs/dbraw/zinc/10/67/42/166106742.db2.gz XDBLWTXWXBNOCJ-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN CCN(CC)C(=O)c1cc(Cl)ccn1 ZINC000003412822 169758955 /nfs/dbraw/zinc/75/89/55/169758955.db2.gz RXQILWMQVLDJJG-UHFFFAOYSA-N 0 0 212.680 2.217 50 0 BEAARN CCN(CC)C(=O)c1cc(OC)cc(OC)c1 ZINC000005452876 169760050 /nfs/dbraw/zinc/76/00/50/169760050.db2.gz PECSIVWYAKBXFM-UHFFFAOYSA-N 0 0 237.299 2.186 50 0 BEAARN CCN(Cc1ccncc1)C(=O)C(C)C ZINC000005322119 410568788 /nfs/dbraw/zinc/56/87/88/410568788.db2.gz OJYNQRDQFNECOG-UHFFFAOYSA-N 0 0 206.289 2.086 50 0 BEAARN CCN(CC)C(=O)c1ccc(OC(C)=O)cc1 ZINC000000049682 169760642 /nfs/dbraw/zinc/76/06/42/169760642.db2.gz MJMONPIQLBQZFL-UHFFFAOYSA-N 0 0 235.283 2.094 50 0 BEAARN CC(=O)c1ccc2cc(N(C)CCO)ccc2c1 ZINC000101723158 166469815 /nfs/dbraw/zinc/46/98/15/166469815.db2.gz LFRBCJWTPLLSEJ-UHFFFAOYSA-N 0 0 243.306 2.471 50 0 BEAARN CC(C)(C)C1CCC(NN2CCOCC2)CC1 ZINC000019167856 166544000 /nfs/dbraw/zinc/54/40/00/166544000.db2.gz NPVOHLVNABPSSG-UHFFFAOYSA-N 0 0 240.391 2.428 50 0 BEAARN CC(C)(C)CC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000070639127 166549033 /nfs/dbraw/zinc/54/90/33/166549033.db2.gz RYDJJJWAKWEXNY-ZDUSSCGKSA-N 0 0 249.354 2.142 50 0 BEAARN CC(C)(C)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000000382441 166551188 /nfs/dbraw/zinc/55/11/88/166551188.db2.gz QLXKUHBZXRMNRE-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN CC(C)(C)NC(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000022506463 166624494 /nfs/dbraw/zinc/62/44/94/166624494.db2.gz GXTUOJFIPMNOTE-UHFFFAOYSA-N 0 0 247.298 2.101 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(CCCO)CC1 ZINC000002582824 166646874 /nfs/dbraw/zinc/64/68/74/166646874.db2.gz OXPWHPCCUXESFQ-UHFFFAOYSA-N 0 0 243.347 2.406 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@]2(CCO2)C1 ZINC000062725529 166648810 /nfs/dbraw/zinc/64/88/10/166648810.db2.gz LCPKAAHDEZYAQL-LBPRGKRZSA-N 0 0 227.304 2.176 50 0 BEAARN CC(C)(C)OC(=O)[C@H]1N[C@@H]1c1cccc(F)c1 ZINC000095830027 166673880 /nfs/dbraw/zinc/67/38/80/166673880.db2.gz FOATVYJZLYYGOO-MNOVXSKESA-N 0 0 237.274 2.180 50 0 BEAARN CC(C)C(=O)NCCc1ccc(N(C)C)cc1 ZINC000011693620 166720034 /nfs/dbraw/zinc/72/00/34/166720034.db2.gz NMGOAFVKXAZSTK-UHFFFAOYSA-N 0 0 234.343 2.067 50 0 BEAARN CC(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000006262793 166724065 /nfs/dbraw/zinc/72/40/65/166724065.db2.gz SHXBKNHCKTUWOF-JTQLQIEISA-N 0 0 249.310 2.291 50 0 BEAARN CC(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000005384156 166773364 /nfs/dbraw/zinc/77/33/64/166773364.db2.gz GDXFHGBQMPVDMH-UHFFFAOYSA-N 0 0 235.283 2.442 50 0 BEAARN CC(C)CCC(=O)NCCc1ccccn1 ZINC000040459735 166794546 /nfs/dbraw/zinc/79/45/46/166794546.db2.gz PWNVLRZEEJBPOR-UHFFFAOYSA-N 0 0 220.316 2.177 50 0 BEAARN CC(C)CCc1nnc(NCc2cnn(C)c2)o1 ZINC000097045499 166918918 /nfs/dbraw/zinc/91/89/18/166918918.db2.gz YMWYIZBUCGBUJC-UHFFFAOYSA-N 0 0 249.318 2.004 50 0 BEAARN C[C@H](C1CC1)N(C)S(=O)(=O)c1ccccc1 ZINC000040490081 410877806 /nfs/dbraw/zinc/87/78/06/410877806.db2.gz BKKOFXVZUIRYJE-SNVBAGLBSA-N 0 0 239.340 2.106 50 0 BEAARN CC(C)CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000008706507 167000676 /nfs/dbraw/zinc/00/06/76/167000676.db2.gz HAYVMCVFDQKKPS-UHFFFAOYSA-N 0 0 243.310 2.463 50 0 BEAARN CC(C)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695371 167037794 /nfs/dbraw/zinc/03/77/94/167037794.db2.gz KDIYTEMKXLYXJT-UHFFFAOYSA-N 0 0 221.275 2.382 50 0 BEAARN CC(C)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000000613077 167037922 /nfs/dbraw/zinc/03/79/22/167037922.db2.gz UKYBNHBBKSAKKA-UHFFFAOYSA-N 0 0 247.338 2.259 50 0 BEAARN CC(C)NC(=O)COc1ccc2c(c1)CCCC2 ZINC000071787464 167063524 /nfs/dbraw/zinc/06/35/24/167063524.db2.gz VALQESWIVRSIMM-UHFFFAOYSA-N 0 0 247.338 2.469 50 0 BEAARN CC(C)NC(=O)Nc1nccn1-c1ccccc1 ZINC000170616925 167079029 /nfs/dbraw/zinc/07/90/29/167079029.db2.gz DLULDDOWGDWXSD-UHFFFAOYSA-N 0 0 244.298 2.402 50 0 BEAARN CC(C)NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000000482631 167083959 /nfs/dbraw/zinc/08/39/59/167083959.db2.gz DDEQUIASKFRODF-RYUDHWBXSA-N 0 0 203.285 2.315 50 0 BEAARN CC(C)NS(=O)(=O)Cc1ccccc1Cl ZINC000004740642 167124469 /nfs/dbraw/zinc/12/44/69/167124469.db2.gz DTDZGQRSYUNONS-UHFFFAOYSA-N 0 0 247.747 2.168 50 0 BEAARN CC(C)OC(=O)Cn1cc(C=O)c2ccccc21 ZINC000000555813 167161303 /nfs/dbraw/zinc/16/13/03/167161303.db2.gz KDDXVLFFTPXKKA-UHFFFAOYSA-N 0 0 245.278 2.405 50 0 BEAARN CC(C)OC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000096152878 167164772 /nfs/dbraw/zinc/16/47/72/167164772.db2.gz RGDDBJQZKFVGFN-LLVKDONJSA-N 0 0 249.310 2.372 50 0 BEAARN CC(C)OCCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000078416555 167201260 /nfs/dbraw/zinc/20/12/60/167201260.db2.gz QBYKYFLKDCEVOF-RYUDHWBXSA-N 0 0 227.348 2.496 50 0 BEAARN CC(C)OCCCc1nc(C2CC2)no1 ZINC000097085361 167229945 /nfs/dbraw/zinc/22/99/45/167229945.db2.gz WMIAZXDZFVJJIW-UHFFFAOYSA-N 0 0 210.277 2.305 50 0 BEAARN CC(C)OCCOC(=O)/C=C\c1ccco1 ZINC000033527701 167247472 /nfs/dbraw/zinc/24/74/72/167247472.db2.gz MDSWQAKUGRQNTK-WAYWQWQTSA-N 0 0 224.256 2.261 50 0 BEAARN CC(C)Oc1cc(CNc2ncccn2)ccn1 ZINC000095973081 167286919 /nfs/dbraw/zinc/28/69/19/167286919.db2.gz MAJRKJAJXJWHPQ-UHFFFAOYSA-N 0 0 244.298 2.271 50 0 BEAARN CC(C)Oc1ccc([C@H]2CC(=O)N(C)C2)cc1 ZINC000000366249 167300567 /nfs/dbraw/zinc/30/05/67/167300567.db2.gz MOALYFXRHHPTTE-LBPRGKRZSA-N 0 0 233.311 2.420 50 0 BEAARN CC(C)[C@@H](C)NC(=O)/C=C/c1cccnc1 ZINC000040490366 167371716 /nfs/dbraw/zinc/37/17/16/167371716.db2.gz WILOEAMHAGEOSR-XUIVZRPNSA-N 0 0 218.300 2.256 50 0 BEAARN CC/C=C\C(=O)N1CCn2cccc2[C@@H]1C ZINC000104120112 410924639 /nfs/dbraw/zinc/92/46/39/410924639.db2.gz JUYYXRALIRHGCY-IBHLPDHGSA-N 0 0 218.300 2.358 50 0 BEAARN CC(C)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000013938444 167610327 /nfs/dbraw/zinc/61/03/27/167610327.db2.gz KUSRIONLIXBKEW-UHFFFAOYSA-N 0 0 239.340 2.251 50 0 BEAARN CC(C)c1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000000142711 167629597 /nfs/dbraw/zinc/62/95/97/167629597.db2.gz MVTIHKDVRDHNGU-UHFFFAOYSA-N 0 0 228.295 2.466 50 0 BEAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1C[C@@H]1C ZINC000107518276 411136398 /nfs/dbraw/zinc/13/63/98/411136398.db2.gz UAAQTDBOUWOZSO-UNJBNNCHSA-N 0 0 247.338 2.271 50 0 BEAARN CC(C)=CC(=O)N(C)Cc1ccncc1 ZINC000047632618 411137685 /nfs/dbraw/zinc/13/76/85/411137685.db2.gz QTYDVROYINSLDZ-UHFFFAOYSA-N 0 0 204.273 2.006 50 0 BEAARN CCCc1cc(C(=O)N2CCCC[C@@H]2C)[nH]n1 ZINC000044859459 411141121 /nfs/dbraw/zinc/14/11/21/411141121.db2.gz RYJWPIKQXJSBMQ-JTQLQIEISA-N 0 0 235.331 2.377 50 0 BEAARN O=C(Nc1cn[nH]c1)N[C@@H]1CCc2ccccc21 ZINC000045305328 411145155 /nfs/dbraw/zinc/14/51/55/411145155.db2.gz OQZKENAZHAOYMF-GFCCVEGCSA-N 0 0 242.282 2.219 50 0 BEAARN CC(C)c1nc(CCNC(=O)C2CC2)cs1 ZINC000084630988 167661380 /nfs/dbraw/zinc/66/13/80/167661380.db2.gz WQZFTFFQEHBDOD-UHFFFAOYSA-N 0 0 238.356 2.335 50 0 BEAARN COCCNc1cnnc2ccc(Cl)cc21 ZINC000046087292 411156597 /nfs/dbraw/zinc/15/65/97/411156597.db2.gz CCOYODDDVSRFRR-UHFFFAOYSA-N 0 0 237.690 2.342 50 0 BEAARN CC(C)c1nc2[nH]nc(N)c2c2c1CCC2 ZINC000004041243 167672431 /nfs/dbraw/zinc/67/24/31/167672431.db2.gz FGRWMJNWSTTZRH-UHFFFAOYSA-N 0 0 216.288 2.152 50 0 BEAARN Cc1cccnc1NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000046974233 411097313 /nfs/dbraw/zinc/09/73/13/411097313.db2.gz NWUAMSWXXBPYIS-GHMZBOCLSA-N 0 0 249.314 2.079 50 0 BEAARN CC(C)c1nnc(NCc2cccnc2)o1 ZINC000096494336 167712684 /nfs/dbraw/zinc/71/26/84/167712684.db2.gz DVHVYBLPQARLKZ-UHFFFAOYSA-N 0 0 218.260 2.200 50 0 BEAARN CC(C)C(=O)Nc1cccnc1N1CCCC1 ZINC000047225547 411118231 /nfs/dbraw/zinc/11/82/31/411118231.db2.gz BMLUPUTYTIRRMC-UHFFFAOYSA-N 0 0 233.315 2.276 50 0 BEAARN COc1ncccc1NC(=O)c1ccoc1C ZINC000047554075 411125392 /nfs/dbraw/zinc/12/53/92/411125392.db2.gz IULBIRCKRGRRRJ-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN CCCCNC(=O)N1CCn2cccc2[C@H]1C ZINC000048644361 411208195 /nfs/dbraw/zinc/20/81/95/411208195.db2.gz JQEUQNNPFIPJJG-LLVKDONJSA-N 0 0 235.331 2.374 50 0 BEAARN CCO[C@@H]1CCCN(C(=O)Nc2cccnc2)C1 ZINC000049023681 411222367 /nfs/dbraw/zinc/22/23/67/411222367.db2.gz BRIXHJFDJOSQOP-GFCCVEGCSA-N 0 0 249.314 2.114 50 0 BEAARN Cc1n[nH]cc1NC(=O)Cc1ccc(F)cc1 ZINC000049476487 411235400 /nfs/dbraw/zinc/23/54/00/411235400.db2.gz KEYXACQYDVLNTL-UHFFFAOYSA-N 0 0 233.246 2.038 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c2n[nH]cc21 ZINC000049479917 411237139 /nfs/dbraw/zinc/23/71/39/411237139.db2.gz CUPMVDIXTJVYKA-DTWKUNHWSA-N 0 0 229.283 2.466 50 0 BEAARN CC/C=C1/CC(=O)N(c2ccc(F)cc2)C1=O ZINC000005346717 167858004 /nfs/dbraw/zinc/85/80/04/167858004.db2.gz ZANDVKXCTAAMMP-OQFOIZHKSA-N 0 0 233.242 2.425 50 0 BEAARN CCONC(=O)c1cc2cc(C)ccc2o1 ZINC000049346449 411256300 /nfs/dbraw/zinc/25/63/00/411256300.db2.gz AIAFPWYRPDNOSA-UHFFFAOYSA-N 0 0 219.240 2.423 50 0 BEAARN CC1(C)COCCN1C(=O)CCc1ccccc1 ZINC000036102005 167970221 /nfs/dbraw/zinc/97/02/21/167970221.db2.gz IWVPJXNSDGNROB-UHFFFAOYSA-N 0 0 247.338 2.257 50 0 BEAARN CC1(C)[C@H](O)C[C@@H]1OCc1ccccc1 ZINC000085508330 168002664 /nfs/dbraw/zinc/00/26/64/168002664.db2.gz BJKWKWODHKPZTO-NEPJUHHUSA-N 0 0 206.285 2.363 50 0 BEAARN CC1(NC(=O)c2ccnc(F)c2)CCCC1 ZINC000042187882 168060875 /nfs/dbraw/zinc/06/08/75/168060875.db2.gz UKFCZNHHEAOQGA-UHFFFAOYSA-N 0 0 222.263 2.283 50 0 BEAARN CC12CN3CC(C)(CN(C1)C3c1ccco1)C2 ZINC000019322363 168074240 /nfs/dbraw/zinc/07/42/40/168074240.db2.gz GJHIOQYKFOFHGN-UHFFFAOYSA-N 0 0 232.327 2.326 50 0 biogenic BEAARN CC1C(=O)C(=O)O[C@H]1C(Cl)(Cl)Cl ZINC000019851777 168088842 /nfs/dbraw/zinc/08/88/42/168088842.db2.gz BCWOXLUSWLFSPU-SCSAIBSYSA-N 0 0 231.462 2.114 50 0 BEAARN CC1=CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000230877932 168096155 /nfs/dbraw/zinc/09/61/55/168096155.db2.gz XCPKRUIUKRJEPH-UHFFFAOYSA-N 0 0 241.294 2.355 50 0 BEAARN CC1=C[C@@H](c2ccccc2)n2nnnc2N1 ZINC000013122855 168125149 /nfs/dbraw/zinc/12/51/49/168125149.db2.gz IDMQIZDTPHMAHG-JTQLQIEISA-N 0 0 213.244 2.189 50 0 BEAARN Cc1cc(=O)n(-c2cccc(Cl)c2)[nH]1 ZINC000100020760 168134686 /nfs/dbraw/zinc/13/46/86/168134686.db2.gz RIOMUJXIGYZENC-UHFFFAOYSA-N 0 0 208.648 2.453 50 0 BEAARN CC1CCC(N(C)C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000032819180 168157705 /nfs/dbraw/zinc/15/77/05/168157705.db2.gz NKKADLGQCFHJOR-UHFFFAOYSA-N 0 0 248.326 2.026 50 0 BEAARN CC1CCC(N(C)C(=O)COCC2CC2)CC1 ZINC000097334439 168158762 /nfs/dbraw/zinc/15/87/62/168158762.db2.gz RSYRIXYWAZEZOH-UHFFFAOYSA-N 0 0 239.359 2.450 50 0 BEAARN CC1CCC(Nc2ncnc3nccnc32)CC1 ZINC000222285747 168166603 /nfs/dbraw/zinc/16/66/03/168166603.db2.gz PEBGZLAJFUIORY-UHFFFAOYSA-N 0 0 243.314 2.410 50 0 BEAARN CC1CCN(C(=O)CNc2ccccc2)CC1 ZINC000012536875 168172526 /nfs/dbraw/zinc/17/25/26/168172526.db2.gz LNVCBOXSYWBGHA-UHFFFAOYSA-N 0 0 232.327 2.357 50 0 BEAARN CC1CCN(C(=O)NC(=O)c2ccccc2)CC1 ZINC000004251563 168173372 /nfs/dbraw/zinc/17/33/72/168173372.db2.gz CZSFPTANAZZXEB-UHFFFAOYSA-N 0 0 246.310 2.268 50 0 BEAARN CC1CC[NH+](Cc2ccc(C(=O)[O-])o2)CC1 ZINC000006674495 168184420 /nfs/dbraw/zinc/18/44/20/168184420.db2.gz PBBKTCULMQMPMT-UHFFFAOYSA-N 0 0 223.272 2.210 50 0 BEAARN CC1CCN(Cc2nnsc2Cl)CC1 ZINC000035164996 168185030 /nfs/dbraw/zinc/18/50/30/168185030.db2.gz DUUWPCGLTNZTMV-UHFFFAOYSA-N 0 0 231.752 2.423 50 0 BEAARN CC1CN(C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000170619167 168188684 /nfs/dbraw/zinc/18/86/84/168188684.db2.gz BYMPSNXMJBEZPW-UHFFFAOYSA-N 0 0 226.226 2.448 50 0 BEAARN CCC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000041171597 168221591 /nfs/dbraw/zinc/22/15/91/168221591.db2.gz OHWRJWICMAUKLQ-GFCCVEGCSA-N 0 0 237.274 2.136 50 0 BEAARN CCC(=O)NCCc1nc(CC)c(C)s1 ZINC000083817797 168229765 /nfs/dbraw/zinc/22/97/65/168229765.db2.gz GHMSQOQGCXJYRD-UHFFFAOYSA-N 0 0 226.345 2.083 50 0 BEAARN CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000006263699 168238967 /nfs/dbraw/zinc/23/89/67/168238967.db2.gz LTVIPHRKFGSEGC-SECBINFHSA-N 0 0 235.283 2.045 50 0 BEAARN CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000004814542 168242803 /nfs/dbraw/zinc/24/28/03/168242803.db2.gz CUALVRRHODOLGL-UHFFFAOYSA-N 0 0 239.271 2.061 50 0 BEAARN CCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000000084042 168243272 /nfs/dbraw/zinc/24/32/72/168243272.db2.gz GYYNBZQAAHYZFW-UHFFFAOYSA-N 0 0 209.245 2.052 50 0 BEAARN CCC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 ZINC000000039065 168245422 /nfs/dbraw/zinc/24/54/22/168245422.db2.gz RKNLMMWOEUJJGA-UHFFFAOYSA-N 0 0 230.267 2.185 50 0 biogenic BEAARN CCC(=O)Nc1cncc(Br)c1 ZINC000082350984 168246788 /nfs/dbraw/zinc/24/67/88/168246788.db2.gz LCVFJAPOTXJYHG-UHFFFAOYSA-N 0 0 229.077 2.193 50 0 BEAARN CCC(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000005416965 168247825 /nfs/dbraw/zinc/24/78/25/168247825.db2.gz NJNQAMDADHOJDZ-UHFFFAOYSA-N 0 0 212.274 2.003 50 0 BEAARN CCC(=O)OCc1cc2ccc(C)cc2[nH]c1=O ZINC000005163165 168249806 /nfs/dbraw/zinc/24/98/06/168249806.db2.gz WTNLPFHCVIDGSZ-UHFFFAOYSA-N 0 0 245.278 2.290 50 0 BEAARN CCC(=O)[C@@H]1CCCCN1C(=O)Cc1ccoc1 ZINC000331065771 168252913 /nfs/dbraw/zinc/25/29/13/168252913.db2.gz XUBFAIJXNJNRHV-LBPRGKRZSA-N 0 0 249.310 2.182 50 0 BEAARN CCC(=O)c1c[nH]c(C(=O)N[C@@H](C)CC)c1 ZINC000005656324 168254952 /nfs/dbraw/zinc/25/49/52/168254952.db2.gz OYOFWWKEWNQSQO-QMMMGPOBSA-N 0 0 222.288 2.136 50 0 BEAARN CCC(=O)c1ccc(OC(C)=O)c(OC)c1 ZINC000003175589 168256858 /nfs/dbraw/zinc/25/68/58/168256858.db2.gz YTDPXTAVZROPBD-UHFFFAOYSA-N 0 0 222.240 2.213 50 0 BEAARN CCC(C(=O)NC)(C(F)(F)F)C(F)(F)F ZINC000003204827 168260932 /nfs/dbraw/zinc/26/09/32/168260932.db2.gz WZSAAGZZAMVHQH-UHFFFAOYSA-N 0 0 237.143 2.253 50 0 BEAARN CCC(C)(C)NC(=O)CC[C@H]1CCCO1 ZINC000040506092 168288808 /nfs/dbraw/zinc/28/88/08/168288808.db2.gz ZLZNWDRIUCUERB-SNVBAGLBSA-N 0 0 213.321 2.250 50 0 BEAARN CCC(C)(C)NC(=O)Cc1cccc(N)c1 ZINC000052922163 168291068 /nfs/dbraw/zinc/29/10/68/168291068.db2.gz SHYAFTTVLJNIFS-UHFFFAOYSA-N 0 0 220.316 2.116 50 0 BEAARN CCC(C)(C)NC(=O)c1cccc2c[nH]nc21 ZINC000032754803 168297593 /nfs/dbraw/zinc/29/75/93/168297593.db2.gz GUJBUIIDFZPIGM-UHFFFAOYSA-N 0 0 231.299 2.481 50 0 BEAARN CCc1nc(S[C@H]2COC(C)(C)C2)n[nH]1 ZINC000657239912 411428659 /nfs/dbraw/zinc/42/86/59/411428659.db2.gz WTLVNPNIAXBFIS-SSDOTTSWSA-N 0 0 227.333 2.027 50 0 BEAARN CCN(Cc1cnnn1C)c1ccccc1C ZINC000195579113 169934134 /nfs/dbraw/zinc/93/41/34/169934134.db2.gz LBBZGLYZCVBBJM-UHFFFAOYSA-N 0 0 230.315 2.150 50 0 BEAARN CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000032906769 170043804 /nfs/dbraw/zinc/04/38/04/170043804.db2.gz YLZSJXYRZNSYNK-UHFFFAOYSA-N 0 0 221.275 2.384 50 0 BEAARN CCNC(=O)CCSc1ccccc1 ZINC000000444047 170053320 /nfs/dbraw/zinc/05/33/20/170053320.db2.gz AJAVXFOAAWDYMN-UHFFFAOYSA-N 0 0 209.314 2.305 50 0 BEAARN CCNC(=O)CNc1cc[nH+]c2ccc(C)cc12 ZINC000097102970 170066717 /nfs/dbraw/zinc/06/67/17/170066717.db2.gz BRFJDZAKVBZDQY-UHFFFAOYSA-N 0 0 243.310 2.091 50 0 BEAARN CCNC(=O)N[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000058163632 170082610 /nfs/dbraw/zinc/08/26/10/170082610.db2.gz PQLSWSQCWAVIJX-QWHCGFSZSA-N 0 0 232.327 2.478 50 0 BEAARN CCNC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000049209230 170085076 /nfs/dbraw/zinc/08/50/76/170085076.db2.gz WEMNAERSRWJMNJ-UHFFFAOYSA-N 0 0 248.311 2.347 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000013709561 170089712 /nfs/dbraw/zinc/08/97/12/170089712.db2.gz NLVZBQPKUMFKKY-MRVPVSSYSA-N 0 0 227.691 2.243 50 0 BEAARN CCNC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000009378288 170090251 /nfs/dbraw/zinc/09/02/51/170090251.db2.gz KFQMABFPJXFADR-MRVPVSSYSA-N 0 0 249.339 2.180 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000006046653 170090291 /nfs/dbraw/zinc/09/02/91/170090291.db2.gz DBPBUDMUJMELDS-MRVPVSSYSA-N 0 0 227.691 2.243 50 0 BEAARN CCNC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000227165823 170090335 /nfs/dbraw/zinc/09/03/35/170090335.db2.gz RXQXFOFTBMRYAZ-LLVKDONJSA-N 0 0 243.310 2.247 50 0 BEAARN CCNC(=O)c1cc(Cl)ccc1F ZINC000040419451 170100326 /nfs/dbraw/zinc/10/03/26/170100326.db2.gz LSOOZYSLUCECHW-UHFFFAOYSA-N 0 0 201.628 2.229 50 0 BEAARN CCNC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000006771593 170100415 /nfs/dbraw/zinc/10/04/15/170100415.db2.gz OLZIWHJGYLGPEO-UHFFFAOYSA-N 0 0 243.310 2.239 50 0 BEAARN CCNC(=O)c1ccc(Br)cc1F ZINC000019425663 170100747 /nfs/dbraw/zinc/10/07/47/170100747.db2.gz WRCAXTFEUQRZDZ-UHFFFAOYSA-N 0 0 246.079 2.338 50 0 BEAARN CCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000013631460 170101619 /nfs/dbraw/zinc/10/16/19/170101619.db2.gz HFBYVQVKBBMZIG-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN CCNC(=S)Nc1ccc(OC)cc1 ZINC000000053919 170106177 /nfs/dbraw/zinc/10/61/77/170106177.db2.gz HYIVJXCKKDSCEP-UHFFFAOYSA-N 0 0 210.302 2.002 50 0 BEAARN CCNC(=O)c1cccc(-c2ccc(N)nc2)c1 ZINC000085476797 170103332 /nfs/dbraw/zinc/10/33/32/170103332.db2.gz XLZKINSFBLIWSN-UHFFFAOYSA-N 0 0 241.294 2.081 50 0 BEAARN CCNC(=S)N(Cc1ccccn1)C(C)C ZINC000095953168 170105122 /nfs/dbraw/zinc/10/51/22/170105122.db2.gz LEGYMDBUDPHSQR-UHFFFAOYSA-N 0 0 237.372 2.186 50 0 BEAARN CCNC(=O)c1nsc2ccc(C)cc21 ZINC000064551650 170105685 /nfs/dbraw/zinc/10/56/85/170105685.db2.gz HWBIRNBPSTZUGA-UHFFFAOYSA-N 0 0 220.297 2.354 50 0 BEAARN CCNC(=S)Nc1ccccc1OC ZINC000000053918 170106729 /nfs/dbraw/zinc/10/67/29/170106729.db2.gz MDCLIBDOUDZJMY-UHFFFAOYSA-N 0 0 210.302 2.002 50 0 BEAARN CCNC(=S)Nc1ccc(SCC)nc1 ZINC000063565923 170106901 /nfs/dbraw/zinc/10/69/01/170106901.db2.gz GKBRGEPPRYCWMG-UHFFFAOYSA-N 0 0 241.385 2.500 50 0 BEAARN CCNc1nc(CC)nc2c(C)nn(CC)c21 ZINC000057355596 170176389 /nfs/dbraw/zinc/17/63/89/170176389.db2.gz NZWWPZUNURGNIN-UHFFFAOYSA-N 0 0 233.319 2.149 50 0 BEAARN CCNc1nc(Cl)nc(NC(C)(C)C)n1 ZINC000000163706 170177060 /nfs/dbraw/zinc/17/70/60/170177060.db2.gz FZXISNSWEXTPMF-UHFFFAOYSA-N 0 0 229.715 2.167 50 0 in-vitro BEAARN CCNc1nn(-c2ncccc2F)cc1C ZINC000309621790 170178302 /nfs/dbraw/zinc/17/83/02/170178302.db2.gz FMVWAWJMSKLICO-UHFFFAOYSA-N 0 0 220.251 2.147 50 0 BEAARN CCO/C=C1/N=C(c2ccc(F)cc2)OC1=O ZINC000008227416 170179535 /nfs/dbraw/zinc/17/95/35/170179535.db2.gz QPFMVKFJCPVERI-JXMROGBWSA-N 0 0 235.214 2.007 50 0 BEAARN CCO/C=C1/c2ccccc2N(CC)C1=O ZINC000005952539 170179559 /nfs/dbraw/zinc/17/95/59/170179559.db2.gz RTZIWVNYSWFJKW-LUAWRHEFSA-N 0 0 217.268 2.431 50 0 BEAARN CCOC(=O)C=C(C)Nc1ccc2c(c1)OCO2 ZINC000017127080 170182817 /nfs/dbraw/zinc/18/28/17/170182817.db2.gz FHTMMKBGLHDNRM-RMKNXTFCSA-N 0 0 249.266 2.294 50 0 BEAARN CCOC(=O)C(=O)c1ccccc1OC(C)C ZINC000086033084 170184927 /nfs/dbraw/zinc/18/49/27/170184927.db2.gz NGWUEBGMJDBSLC-UHFFFAOYSA-N 0 0 236.267 2.220 50 0 BEAARN CCOC(=O)C(C)(C)CNC(=O)OC(C)(C)C ZINC000095936099 170185888 /nfs/dbraw/zinc/18/58/88/170185888.db2.gz AOBMJQSOIZGTLC-UHFFFAOYSA-N 0 0 245.319 2.100 50 0 BEAARN CCOC(=O)C(C)(C)Oc1ccccc1OC ZINC000001459362 170187920 /nfs/dbraw/zinc/18/79/20/170187920.db2.gz HGFQOGVVBAUASZ-UHFFFAOYSA-N 0 0 238.283 2.416 50 0 BEAARN CCOC(=O)C1(C(=O)OCC)CCCCC1 ZINC000001694413 170189388 /nfs/dbraw/zinc/18/93/88/170189388.db2.gz MLHUKQNAQSRVKI-UHFFFAOYSA-N 0 0 228.288 2.063 50 0 BEAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1 ZINC000018190244 170191775 /nfs/dbraw/zinc/19/17/75/170191775.db2.gz BGXXSHSAPUYKKL-UHFFFAOYSA-N 0 0 245.278 2.260 50 0 BEAARN CCOC(=O)C1CCN(Cc2ccoc2)CC1 ZINC000003684352 170192700 /nfs/dbraw/zinc/19/27/00/170192700.db2.gz VLNFEDRVABOJCZ-UHFFFAOYSA-N 0 0 237.299 2.055 50 0 BEAARN CCOC(=O)CC(=O)CCCC(C)C ZINC000002563425 170193163 /nfs/dbraw/zinc/19/31/63/170193163.db2.gz GZUWNFIBFADJNF-UHFFFAOYSA-N 0 0 200.278 2.335 50 0 BEAARN CCOC(=O)CCC(=O)c1ccccc1 ZINC000001705989 170198503 /nfs/dbraw/zinc/19/85/03/170198503.db2.gz BRUOEHVDTAORQY-UHFFFAOYSA-N 0 0 206.241 2.213 50 0 BEAARN CCOC(=O)CCC(=O)c1cc(F)ccc1F ZINC000002378973 170198956 /nfs/dbraw/zinc/19/89/56/170198956.db2.gz NSIAFOFHAZEZGO-UHFFFAOYSA-N 0 0 242.221 2.491 50 0 BEAARN CCOC(=O)CCOc1ccc(C(C)=O)cc1 ZINC000036669090 170210986 /nfs/dbraw/zinc/21/09/86/170210986.db2.gz AXGQWJIXCXLVDY-UHFFFAOYSA-N 0 0 236.267 2.221 50 0 BEAARN CCOC(=O)CCc1ccc(OC)cc1 ZINC000001600508 170211731 /nfs/dbraw/zinc/21/17/31/170211731.db2.gz BDSDTKZBFYSNLI-UHFFFAOYSA-N 0 0 208.257 2.191 50 0 BEAARN CCOC(=O)COc1ccc(C)c(C)c1 ZINC000002597428 170228996 /nfs/dbraw/zinc/22/89/96/170228996.db2.gz BBHZMYZNSNJZAO-UHFFFAOYSA-N 0 0 208.257 2.245 50 0 BEAARN CCOC(=O)COc1ccccc1Cl ZINC000001732186 170229372 /nfs/dbraw/zinc/22/93/72/170229372.db2.gz VJGDGQCMUALSPH-UHFFFAOYSA-N 0 0 214.648 2.282 50 0 BEAARN CCOC(=O)Cc1cc(F)c(F)c(OC)c1 ZINC000259918969 170234918 /nfs/dbraw/zinc/23/49/18/170234918.db2.gz GLGVZVYLBOOYRI-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1c(OC)ccc(F)c1F ZINC000260036987 170235412 /nfs/dbraw/zinc/23/54/12/170235412.db2.gz LARXGSDWHMNBFS-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1ccc(F)c(OC)c1F ZINC000260262649 170235493 /nfs/dbraw/zinc/23/54/93/170235493.db2.gz VASVUXZFWLLIKF-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000000396007 170236648 /nfs/dbraw/zinc/23/66/48/170236648.db2.gz IWPVQKMMULQNBL-UHFFFAOYSA-N 0 0 246.266 2.151 50 0 BEAARN CCOC(=O)N(C)C(=O)Nc1ccccc1 ZINC000000400478 170237545 /nfs/dbraw/zinc/23/75/45/170237545.db2.gz SGSAKJCDEKQROW-UHFFFAOYSA-N 0 0 222.244 2.307 50 0 BEAARN CCOC(=O)NCc1c[nH]c2ccccc12 ZINC000041341075 170242534 /nfs/dbraw/zinc/24/25/34/170242534.db2.gz ZRSLIQXTMQBVED-UHFFFAOYSA-N 0 0 218.256 2.414 50 0 BEAARN CCOC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008077325 170243699 /nfs/dbraw/zinc/24/36/99/170243699.db2.gz NZKVXPLHIJYTKC-UHFFFAOYSA-N 0 0 248.282 2.147 50 0 BEAARN CCOC(=O)Nc1ccc(Cl)cn1 ZINC000000309530 170243902 /nfs/dbraw/zinc/24/39/02/170243902.db2.gz LCOSJBMCUBGWDL-UHFFFAOYSA-N 0 0 200.625 2.303 50 0 BEAARN CCOC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000055279098 170248285 /nfs/dbraw/zinc/24/82/85/170248285.db2.gz ZGFMBUHREWMBOI-SECBINFHSA-N 0 0 224.256 2.026 50 0 BEAARN CCOC(=O)[C@@H](CC)Sc1nc(CC)c[nH]1 ZINC000225443199 170250980 /nfs/dbraw/zinc/25/09/80/170250980.db2.gz IQKMWILULDQJJN-SECBINFHSA-N 0 0 242.344 2.406 50 0 BEAARN CCOC(=O)[C@@H](Cc1ccc(C)cc1)C(C)=O ZINC000022611117 170252964 /nfs/dbraw/zinc/25/29/64/170252964.db2.gz PGMCRCMQNWICNI-ZDUSSCGKSA-N 0 0 234.295 2.306 50 0 BEAARN CCOC(=O)[C@@H]1CCCc2cccnc21 ZINC000098095613 170259158 /nfs/dbraw/zinc/25/91/58/170259158.db2.gz KVJMXJLRPIIKAJ-SNVBAGLBSA-N 0 0 205.257 2.065 50 0 BEAARN CCOC(=O)[C@@H]1CCNc2ccccc21 ZINC000040448692 170259346 /nfs/dbraw/zinc/25/93/46/170259346.db2.gz KAPGAOSLPHJFCS-SNVBAGLBSA-N 0 0 205.257 2.149 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@H](C(CC)CC)N1 ZINC000098072908 170259776 /nfs/dbraw/zinc/25/97/76/170259776.db2.gz YZFDGJYGTWXSHY-VHSXEESVSA-N 0 0 231.361 2.017 50 0 BEAARN CCOC(=O)[C@@H]1Oc2ccccc2N=C1C ZINC000261494510 170260664 /nfs/dbraw/zinc/26/06/64/170260664.db2.gz ZMXWOKDTEWBXDI-LLVKDONJSA-N 0 0 219.240 2.103 50 0 BEAARN CCOC(=O)[C@@]1(C)CNc2ccccc2C1 ZINC000026422595 170262612 /nfs/dbraw/zinc/26/26/12/170262612.db2.gz CBGPRWHIGZYREM-CYBMUJFWSA-N 0 0 219.284 2.224 50 0 BEAARN CCOC(=O)[C@H](Cc1cccc(C)c1)C(C)=O ZINC000041262515 170273781 /nfs/dbraw/zinc/27/37/81/170273781.db2.gz XRXWHJPXZMGDDJ-CYBMUJFWSA-N 0 0 234.295 2.306 50 0 BEAARN CCOC(=O)[C@H]1CS[C@@H](c2cccs2)N1 ZINC000098072873 170281951 /nfs/dbraw/zinc/28/19/51/170281951.db2.gz FPFZNKCTUSSDIU-APPZFPTMSA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1N ZINC000000495146 170286298 /nfs/dbraw/zinc/28/62/98/170286298.db2.gz WXAMYHISCJCWJK-UHFFFAOYSA-N 0 0 222.219 2.066 50 0 BEAARN CCOC(=O)c1[nH]c(C)c(C)c1C(C)=O ZINC000037624381 170286350 /nfs/dbraw/zinc/28/63/50/170286350.db2.gz BFCCFLZRLLFPRR-UHFFFAOYSA-N 0 0 209.245 2.011 50 0 BEAARN CCOC(=O)c1c(C)n(C)c2ccc(O)cc21 ZINC000000001652 170288549 /nfs/dbraw/zinc/28/85/49/170288549.db2.gz YTBNTDMBGXAOCG-UHFFFAOYSA-N 0 0 233.267 2.369 50 0 in-man BEAARN CCOC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000015442854 170290253 /nfs/dbraw/zinc/29/02/53/170290253.db2.gz XYKNUKFAXFVJRH-UHFFFAOYSA-N 0 0 234.230 2.393 50 0 BEAARN CCOC(=O)c1cc(Br)ccc1N ZINC000001437419 170290453 /nfs/dbraw/zinc/29/04/53/170290453.db2.gz PKWFESSNWKEZDP-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000000166881 170291237 /nfs/dbraw/zinc/29/12/37/170291237.db2.gz GLXLMRLPFQWBGW-UHFFFAOYSA-N 0 0 210.277 2.123 50 0 BEAARN CCOC(=O)c1cc(C(C)=O)c(C)nc1C ZINC000095883550 170291585 /nfs/dbraw/zinc/29/15/85/170291585.db2.gz LWDJVXUDNDZUDS-UHFFFAOYSA-N 0 0 221.256 2.078 50 0 BEAARN CCOC(=O)c1cc(C)c(Br)cn1 ZINC000095932921 170291665 /nfs/dbraw/zinc/29/16/65/170291665.db2.gz VFJXPOLLIIQEFS-UHFFFAOYSA-N 0 0 244.088 2.329 50 0 BEAARN CCOC(=O)c1cc(C)cnc1Br ZINC000039340755 170291741 /nfs/dbraw/zinc/29/17/41/170291741.db2.gz PKLWSPZTPMXMIU-UHFFFAOYSA-N 0 0 244.088 2.329 50 0 BEAARN CCOC(=O)c1cc(F)ncc1Br ZINC000047203044 170292116 /nfs/dbraw/zinc/29/21/16/170292116.db2.gz QQEXNULDCYCOED-UHFFFAOYSA-N 0 0 248.051 2.160 50 0 BEAARN CCOC(=O)c1cc(O)ccc1Br ZINC000071257051 170293136 /nfs/dbraw/zinc/29/31/36/170293136.db2.gz BJWKSJXBOQFQEU-UHFFFAOYSA-N 0 0 245.072 2.331 50 0 BEAARN CCOC(=O)c1cc2cc(C=O)ccc2o1 ZINC000022996441 170293631 /nfs/dbraw/zinc/29/36/31/170293631.db2.gz HPIWMMIIJOHZJI-UHFFFAOYSA-N 0 0 218.208 2.422 50 0 BEAARN CCOC(=O)c1cc2cccnc2nc1Cl ZINC000026423314 170293696 /nfs/dbraw/zinc/29/36/96/170293696.db2.gz JZSQZPZZJPEXND-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000010443921 170295409 /nfs/dbraw/zinc/29/54/09/170295409.db2.gz MHNQLKCIZNTEQS-UHFFFAOYSA-N 0 0 221.256 2.130 50 0 BEAARN CCOC(=O)c1ccc(F)c2cc[nH]c21 ZINC000095093427 170296449 /nfs/dbraw/zinc/29/64/49/170296449.db2.gz IDBKQONTDHZFFN-UHFFFAOYSA-N 0 0 207.204 2.484 50 0 BEAARN CCOC(=O)c1cccc(NC(C)=O)c1C ZINC000013670141 170298469 /nfs/dbraw/zinc/29/84/69/170298469.db2.gz BFJUTYSXVCRVCO-UHFFFAOYSA-N 0 0 221.256 2.130 50 0 BEAARN CCOC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000000364010 170298606 /nfs/dbraw/zinc/29/86/06/170298606.db2.gz XYHNTQIRBVSNQT-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 BEAARN CCOC(=O)c1ccc2ncsc2c1 ZINC000038974410 170298770 /nfs/dbraw/zinc/29/87/70/170298770.db2.gz AYOJYVVHVFIOLK-UHFFFAOYSA-N 0 0 207.254 2.473 50 0 BEAARN CCOC(=O)c1cccc(-c2noc(C)n2)c1 ZINC000042684349 170298926 /nfs/dbraw/zinc/29/89/26/170298926.db2.gz OKGFHGDXEFYTRK-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(=O)c1ccn(-c2ccccc2)n1 ZINC000033947584 170299700 /nfs/dbraw/zinc/29/97/00/170299700.db2.gz HNQSUSPWELMLBU-UHFFFAOYSA-N 0 0 216.240 2.049 50 0 BEAARN CCOC(=O)c1cccnc1C(F)(F)F ZINC000016159960 170299998 /nfs/dbraw/zinc/29/99/98/170299998.db2.gz UNDXNPHDXSFEAE-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1ccn(Cc2ccccc2)n1 ZINC000253430183 170301050 /nfs/dbraw/zinc/30/10/50/170301050.db2.gz XPYPKZBZUMCFEU-UHFFFAOYSA-N 0 0 230.267 2.108 50 0 BEAARN CCOC(=O)c1cnc2ccsc2c1 ZINC000095707433 170302364 /nfs/dbraw/zinc/30/23/64/170302364.db2.gz ZWNKYHWYIZEUDF-UHFFFAOYSA-N 0 0 207.254 2.473 50 0 BEAARN CCOC(=O)c1cnn2cc(Cl)ccc12 ZINC000091297019 170304437 /nfs/dbraw/zinc/30/44/37/170304437.db2.gz ISNNWRGBLUSCFL-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1nc(-c2ccccc2)ns1 ZINC000029123995 170305835 /nfs/dbraw/zinc/30/58/35/170305835.db2.gz QAIYEEZCFZYANU-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN CCOC(=O)c1nc(Br)cs1 ZINC000049581990 170306617 /nfs/dbraw/zinc/30/66/17/170306617.db2.gz CFRQYWHXWNRQAP-UHFFFAOYSA-N 0 0 236.090 2.082 50 0 BEAARN CCOC(=O)c1nc(-c2ccncc2)cs1 ZINC000035633087 170307021 /nfs/dbraw/zinc/30/70/21/170307021.db2.gz KMLUEVQSOXDFPY-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN CCOC(=O)c1ncn(C2CCCCC2)c1N ZINC000005386117 170308512 /nfs/dbraw/zinc/30/85/12/170308512.db2.gz HQVPYNVVQNXJEE-UHFFFAOYSA-N 0 0 237.303 2.147 50 0 BEAARN CCOC(=O)c1ncoc1-c1ccco1 ZINC000000107442 170308713 /nfs/dbraw/zinc/30/87/13/170308713.db2.gz RNUNYNLZKJUQFI-UHFFFAOYSA-N 0 0 207.185 2.111 50 0 BEAARN CCOC(=O)c1nccn1-c1ccc(C)cc1 ZINC000067773691 170308940 /nfs/dbraw/zinc/30/89/40/170308940.db2.gz VUVXRKUDBLQEQT-UHFFFAOYSA-N 0 0 230.267 2.357 50 0 BEAARN CCOC(=O)c1noc(N)c1-c1ccccc1 ZINC000004207438 170309406 /nfs/dbraw/zinc/30/94/06/170309406.db2.gz VSCAOMUSYLNUIK-UHFFFAOYSA-N 0 0 232.239 2.101 50 0 BEAARN CCOC(=O)n1c2ccccc2sc1=O ZINC000000040017 170311847 /nfs/dbraw/zinc/31/18/47/170311847.db2.gz MZYIKOMBADGICC-UHFFFAOYSA-N 0 0 223.253 2.068 50 0 BEAARN CCOCC(=O)NCC1(CC(C)C)CCC1 ZINC000089986648 170343512 /nfs/dbraw/zinc/34/35/12/170343512.db2.gz BVGZJSDEOMZWLT-UHFFFAOYSA-N 0 0 227.348 2.356 50 0 BEAARN CCOCC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000097055467 170346118 /nfs/dbraw/zinc/34/61/18/170346118.db2.gz ASAYBBAIOLSNKU-ABAIWWIYSA-N 0 0 247.338 2.381 50 0 BEAARN CCOCC(=O)N[C@H](C)CCc1ccccc1 ZINC000006758526 170346565 /nfs/dbraw/zinc/34/65/65/170346565.db2.gz YFCYHEUJZAFKNV-GFCCVEGCSA-N 0 0 235.327 2.160 50 0 BEAARN CCOCC(=O)N[C@H]1CCCC[C@@H]1SCC ZINC000096456050 170347027 /nfs/dbraw/zinc/34/70/27/170347027.db2.gz QJSWIDIUTOJGKL-QWRGUYRKSA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)N[C@H]1CCC[C@@H](SCC)C1 ZINC000096451460 170347244 /nfs/dbraw/zinc/34/72/44/170347244.db2.gz PJXUJQQRCXELGP-WDEREUQCSA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000096451457 170347402 /nfs/dbraw/zinc/34/74/02/170347402.db2.gz PJXUJQQRCXELGP-QWRGUYRKSA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)Nc1cccc(SC)c1 ZINC000002069620 170349188 /nfs/dbraw/zinc/34/91/88/170349188.db2.gz VPCXWSSWVYSBFA-UHFFFAOYSA-N 0 0 225.313 2.384 50 0 BEAARN CCOCCC(=O)N(CC)c1ccccc1 ZINC000004806213 170357548 /nfs/dbraw/zinc/35/75/48/170357548.db2.gz IWXRDHXZCWBRGL-UHFFFAOYSA-N 0 0 221.300 2.466 50 0 BEAARN CCOCCCC(=O)NCCc1ccc(C)cc1 ZINC000096407584 170365922 /nfs/dbraw/zinc/36/59/22/170365922.db2.gz RQEQBWSLVTUYFI-UHFFFAOYSA-N 0 0 249.354 2.470 50 0 BEAARN CCOCCCNC(=O)c1cc2ccccn2c1 ZINC000033138702 170380062 /nfs/dbraw/zinc/38/00/62/170380062.db2.gz PATFOVCERUYHGL-UHFFFAOYSA-N 0 0 246.310 2.096 50 0 BEAARN CCOCCN(C)Cc1c(C)nsc1C ZINC000328596898 170389923 /nfs/dbraw/zinc/38/99/23/170389923.db2.gz BJGIDBGYYNRHFD-UHFFFAOYSA-N 0 0 228.361 2.228 50 0 BEAARN CCOCCN(C)Cc1cnc(Cl)c(F)c1 ZINC000328597593 170390268 /nfs/dbraw/zinc/39/02/68/170390268.db2.gz HWIFXKFBYWAZMN-UHFFFAOYSA-N 0 0 246.713 2.342 50 0 BEAARN CCOCCS(=O)(=O)c1ccc(C)cc1C ZINC000057875966 170423714 /nfs/dbraw/zinc/42/37/14/170423714.db2.gz DOCQVRYMOSNEKJ-UHFFFAOYSA-N 0 0 242.340 2.114 50 0 BEAARN CCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000058210409 170474204 /nfs/dbraw/zinc/47/42/04/170474204.db2.gz YGRYHWRVYWFUJN-STQMWFEESA-N 0 0 249.354 2.467 50 0 BEAARN CCO[C@H](C)c1nc(Cn2cccn2)cs1 ZINC000076062596 170502374 /nfs/dbraw/zinc/50/23/74/170502374.db2.gz DBYINZLBBPDVHL-SECBINFHSA-N 0 0 237.328 2.485 50 0 BEAARN CCO[C@H]1C[C@@H](NC(=O)c2ccncc2)C1(C)C ZINC000096414164 170508073 /nfs/dbraw/zinc/50/80/73/170508073.db2.gz UKWSCCYCUSBBMX-NEPJUHHUSA-N 0 0 248.326 2.015 50 0 BEAARN CCO[C@H]1C[C@H](NC(=O)C2CCC2)C1(C)C ZINC000071915419 170510072 /nfs/dbraw/zinc/51/00/72/170510072.db2.gz FMXVPPBHMPIQLY-QWRGUYRKSA-N 0 0 225.332 2.106 50 0 BEAARN CCOc1cc(CO)ccc1OC(F)F ZINC000014120928 170523391 /nfs/dbraw/zinc/52/33/91/170523391.db2.gz VXMJDFNIBAXTPH-UHFFFAOYSA-N 0 0 218.199 2.179 50 0 BEAARN CCOc1ccc(C(=O)NC2CC2)c(OCC)c1 ZINC000006741419 170538244 /nfs/dbraw/zinc/53/82/44/170538244.db2.gz BMWJXSZTNDIVHH-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN CCOc1cccc(C=O)c1OC(F)F ZINC000004200371 170573048 /nfs/dbraw/zinc/57/30/48/170573048.db2.gz BJGGCFDPFCYQAZ-UHFFFAOYSA-N 0 0 216.183 2.499 50 0 BEAARN CCOc1ccccc1NC(=O)c1ncccn1 ZINC000062021845 170594756 /nfs/dbraw/zinc/59/47/56/170594756.db2.gz CRGXLRYYPGFPSR-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)[O-] ZINC000049354293 170597297 /nfs/dbraw/zinc/59/72/97/170597297.db2.gz JWIDPYZBSDOXSI-NXEZZACHSA-N 0 0 237.299 2.209 50 0 BEAARN CCS(=O)(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000070248355 170613236 /nfs/dbraw/zinc/61/32/36/170613236.db2.gz XYDXIWJHXDLXRO-SECBINFHSA-N 0 0 245.319 2.168 50 0 BEAARN CCSC(=O)N1CCCCCC1=O ZINC000005921798 170624873 /nfs/dbraw/zinc/62/48/73/170624873.db2.gz UUJZYIUAPPVYMH-UHFFFAOYSA-N 0 0 201.291 2.262 50 0 BEAARN CCS[C@@H]1CCCC[C@@H]1NC(C)=O ZINC000095408784 170648069 /nfs/dbraw/zinc/64/80/69/170648069.db2.gz IHDTUDKWHBNSMF-VHSXEESVSA-N 0 0 201.335 2.187 50 0 BEAARN CC[C@@H](C)NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000020573109 170741910 /nfs/dbraw/zinc/74/19/10/170741910.db2.gz FKAUWSRENDMFMI-OUAUKWLOSA-N 0 0 212.337 2.472 50 0 BEAARN CC[C@@H](C)NC(=O)Nc1cccc(C(N)=O)c1C ZINC000040527097 170744288 /nfs/dbraw/zinc/74/42/88/170744288.db2.gz WCPYLSBBXOVYDN-MRVPVSSYSA-N 0 0 249.314 2.014 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000045819178 170746936 /nfs/dbraw/zinc/74/69/36/170746936.db2.gz VYIOLFVCUBREFM-SECBINFHSA-N 0 0 244.294 2.056 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000012853797 170747590 /nfs/dbraw/zinc/74/75/90/170747590.db2.gz HVQWPFLCLMMRFW-LLVKDONJSA-N 0 0 243.310 2.401 50 0 BEAARN CC[C@@H](NCC(=O)OC)c1ccc(F)cc1F ZINC000096491951 170890215 /nfs/dbraw/zinc/89/02/15/170890215.db2.gz STQURMRUTSWTMB-LLVKDONJSA-N 0 0 243.253 2.179 50 0 BEAARN CC[C@@H](Oc1ccccc1C)C(=O)NC1CC1 ZINC000013329233 170946876 /nfs/dbraw/zinc/94/68/76/170946876.db2.gz RGZCMBGQLPOUPS-GFCCVEGCSA-N 0 0 233.311 2.431 50 0 BEAARN CC[C@H]1CC[C@H](C(=O)N[C@H]2CCO[C@H]2C)CC1 ZINC000252523230 171032499 /nfs/dbraw/zinc/03/24/99/171032499.db2.gz CDBVQSYKHWIQOT-CYDGBPFRSA-N 0 0 239.359 2.496 50 0 BEAARN CC[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000000031761 171251682 /nfs/dbraw/zinc/25/16/82/171251682.db2.gz AWXFSVXURCACKL-VIFPVBQESA-N 0 0 235.283 2.078 50 0 BEAARN CC[C@H](C)C(=O)N[C@@H](C)Cc1ccco1 ZINC000040074694 171252960 /nfs/dbraw/zinc/25/29/60/171252960.db2.gz WMPBOUCRBQIJKZ-UWVGGRQHSA-N 0 0 209.289 2.373 50 0 BEAARN CC[C@H](C)C(=O)Nc1cc(C)nn1CC ZINC000032647802 171254588 /nfs/dbraw/zinc/25/45/88/171254588.db2.gz MLFBEORSZIVNRZ-QMMMGPOBSA-N 0 0 209.293 2.196 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000365422 171254923 /nfs/dbraw/zinc/25/49/23/171254923.db2.gz YJHYLLFMJRSQLU-VIFPVBQESA-N 0 0 235.283 2.458 50 0 BEAARN CC[C@H](C)CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000241684881 171262801 /nfs/dbraw/zinc/26/28/01/171262801.db2.gz QFZUDISSBNLTMN-VZJVUDMVSA-N 0 0 247.338 2.197 50 0 BEAARN CC[C@H](C)NC(=O)COc1ccc(C)cc1 ZINC000002165835 171326043 /nfs/dbraw/zinc/32/60/43/171326043.db2.gz QQEBDXDWFLUKNT-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN CC[C@H](C)NC(=O)COc1ccccc1F ZINC000049535050 171327681 /nfs/dbraw/zinc/32/76/81/171327681.db2.gz ODZUABOPEWLVQW-VIFPVBQESA-N 0 0 225.263 2.119 50 0 BEAARN CC[C@H](C)NC(=O)Nc1cccnc1OC ZINC000048290669 171330935 /nfs/dbraw/zinc/33/09/35/171330935.db2.gz ANGMRNWYYUAEDL-QMMMGPOBSA-N 0 0 223.276 2.010 50 0 BEAARN CC[C@H](C)NC(=O)Nc1cccc(C(N)=O)c1C ZINC000040527098 171331346 /nfs/dbraw/zinc/33/13/46/171331346.db2.gz WCPYLSBBXOVYDN-QMMMGPOBSA-N 0 0 249.314 2.014 50 0 BEAARN CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1 ZINC000004666637 171335795 /nfs/dbraw/zinc/33/57/95/171335795.db2.gz ZFPRNEXAIAVPKN-QWRGUYRKSA-N 0 0 221.300 2.369 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(C)ccc1O ZINC000019837177 171336273 /nfs/dbraw/zinc/33/62/73/171336273.db2.gz ZNPWZSLSDMFLIV-VIFPVBQESA-N 0 0 207.273 2.229 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(OC(C)=O)cc1 ZINC000000060659 171337522 /nfs/dbraw/zinc/33/75/22/171337522.db2.gz IRDDCELIOYOJJD-VIFPVBQESA-N 0 0 235.283 2.140 50 0 BEAARN CC[C@H](C)NC(=O)c1cccc(OC)c1OC ZINC000000496427 171337822 /nfs/dbraw/zinc/33/78/22/171337822.db2.gz IGPIGTFEMKOINB-VIFPVBQESA-N 0 0 237.299 2.232 50 0 BEAARN CC[C@H](C)NC(=O)c1cnc2ccccc2n1 ZINC000012977662 171338586 /nfs/dbraw/zinc/33/85/86/171338586.db2.gz VKWINXGHPRBKEP-VIFPVBQESA-N 0 0 229.283 2.158 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1cc(C)ccc1C ZINC000005120488 171344750 /nfs/dbraw/zinc/34/47/50/171344750.db2.gz ZMCWPPSBNAFYHL-NSHDSACASA-N 0 0 241.356 2.380 50 0 BEAARN CC[C@H](C)NS(=O)(=O)Cc1cccc(C)c1 ZINC000016577711 171345006 /nfs/dbraw/zinc/34/50/06/171345006.db2.gz BJIUKLHUGKLLGK-NSHDSACASA-N 0 0 241.356 2.213 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000002071408 171345227 /nfs/dbraw/zinc/34/52/27/171345227.db2.gz YWZNYRYEZHIYLS-JTQLQIEISA-N 0 0 227.329 2.072 50 0 BEAARN CC[C@H](C)[C@H](OC)C(=O)Nc1nc(C)cs1 ZINC000331036076 171406824 /nfs/dbraw/zinc/40/68/24/171406824.db2.gz NANNIWCFNZHGGS-CBAPKCEASA-N 0 0 242.344 2.451 50 0 BEAARN CC[C@H](Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000061679949 171590580 /nfs/dbraw/zinc/59/05/80/171590580.db2.gz MWGSZOZQMNYWPW-ZDUSSCGKSA-N 0 0 233.311 2.208 50 0 BEAARN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC ZINC000195531038 171590846 /nfs/dbraw/zinc/59/08/46/171590846.db2.gz JQMZCEGGYKZIQL-MXWKQRLJSA-N 0 0 213.321 2.106 50 0 BEAARN CC[C@H]1c2ccsc2CCN1C(=O)NC ZINC000040490191 171689055 /nfs/dbraw/zinc/68/90/55/171689055.db2.gz VFPBEEVFTYTURF-VIFPVBQESA-N 0 0 224.329 2.397 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000219063694 412345712 /nfs/dbraw/zinc/34/57/12/412345712.db2.gz WHVCWCZMWYWXEO-KWCYVHTRSA-N 0 0 245.322 2.243 50 0 BEAARN CCc1cc(C(=O)Nc2ccccc2)on1 ZINC000034628528 171755579 /nfs/dbraw/zinc/75/55/79/171755579.db2.gz IIKIUGJQHJRJFB-UHFFFAOYSA-N 0 0 216.240 2.489 50 0 BEAARN CCc1ccc(C(=O)NC2=NCCS2)cc1 ZINC000005171773 171784809 /nfs/dbraw/zinc/78/48/09/171784809.db2.gz PVTAYDLYNDPGDX-UHFFFAOYSA-N 0 0 234.324 2.082 50 0 BEAARN CCc1ccc(C(=O)NCc2ccc(C)n2C)o1 ZINC000040086523 171785623 /nfs/dbraw/zinc/78/56/23/171785623.db2.gz ZHUCZKKCILRNMC-UHFFFAOYSA-N 0 0 246.310 2.419 50 0 BEAARN CCc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000008383053 171786199 /nfs/dbraw/zinc/78/61/99/171786199.db2.gz ADLVBZVVLUPSFD-CYBMUJFWSA-N 0 0 233.311 2.158 50 0 BEAARN CCc1nc(CSc2nc[nH]n2)cs1 ZINC000069418758 171993625 /nfs/dbraw/zinc/99/36/25/171993625.db2.gz OIHBHYMVEWMNAM-UHFFFAOYSA-N 0 0 226.330 2.116 50 0 BEAARN CCc1nc2cc(C(=O)OC)ccc2o1 ZINC000008729968 172010718 /nfs/dbraw/zinc/01/07/18/172010718.db2.gz WXMLBUAKZYDTKG-UHFFFAOYSA-N 0 0 205.213 2.177 50 0 BEAARN CCc1nc2cc(Br)cnc2[nH]1 ZINC000042750043 172015179 /nfs/dbraw/zinc/01/51/79/172015179.db2.gz MHFIFOOCPJDOOQ-UHFFFAOYSA-N 0 0 226.077 2.283 50 0 BEAARN CCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000000971127 172015560 /nfs/dbraw/zinc/01/55/60/172015560.db2.gz BWHINKGPXZCANE-UHFFFAOYSA-N 0 0 220.297 2.036 50 0 BEAARN CCc1nnc(NC(=O)Cc2ccccc2)s1 ZINC000009043302 172058169 /nfs/dbraw/zinc/05/81/69/172058169.db2.gz PGVVRAWSXCVVPY-UHFFFAOYSA-N 0 0 247.323 2.282 50 0 BEAARN CCc1nnc(NCc2csc(C)n2)s1 ZINC000097231814 172060771 /nfs/dbraw/zinc/06/07/71/172060771.db2.gz HLOKAQZYZTWHKY-UHFFFAOYSA-N 0 0 240.357 2.478 50 0 BEAARN CCc1noc(CS[C@@H]2CCO[C@H]2C)n1 ZINC000095974159 172085466 /nfs/dbraw/zinc/08/54/66/172085466.db2.gz QVMDBWSPKSHBER-JGVFFNPUSA-N 0 0 228.317 2.043 50 0 BEAARN CCN1C(=S)N=NC1c1cccs1 ZINC000000784913 172147898 /nfs/dbraw/zinc/14/78/98/172147898.db2.gz KPYYIQKXNFIIQR-UHFFFAOYSA-N 0 0 211.315 2.315 50 0 BEAARN CCn1c(=O)ccc2cc(OC)ccc21 ZINC000000294864 172131855 /nfs/dbraw/zinc/13/18/55/172131855.db2.gz WKVCBZANWYZBAS-UHFFFAOYSA-N 0 0 203.241 2.030 50 0 BEAARN CCn1c(C(=O)NC2CC2)cc2occc21 ZINC000064551918 172133278 /nfs/dbraw/zinc/13/32/78/172133278.db2.gz PALBFUOEXOVXFR-UHFFFAOYSA-N 0 0 218.256 2.146 50 0 BEAARN CCn1c(C)nc2c1c1ccccc1oc2=O ZINC000000258893 172137087 /nfs/dbraw/zinc/13/70/87/172137087.db2.gz QTKRNTDRBBWZLG-UHFFFAOYSA-N 0 0 228.251 2.471 50 0 BEAARN CCN1C(=S)N=NC1c1cccc(N(C)C)c1 ZINC000002536730 172147866 /nfs/dbraw/zinc/14/78/66/172147866.db2.gz CUEWJNRXGNKDNT-UHFFFAOYSA-N 0 0 248.355 2.320 50 0 BEAARN CCn1c2ccc(F)cc2c2nnc(=S)[nH]c21 ZINC000005823306 172148478 /nfs/dbraw/zinc/14/84/78/172148478.db2.gz BCPWQXOGLWDPSP-UHFFFAOYSA-N 0 0 248.286 2.427 50 0 BEAARN CCn1cc(CNC(=O)C2CCCCC2)cn1 ZINC000027918825 172166680 /nfs/dbraw/zinc/16/66/80/172166680.db2.gz FTJQSMPJWAIZGK-UHFFFAOYSA-N 0 0 235.331 2.100 50 0 BEAARN CCn1cc(Cl)c(C(=O)NC2CCCC2)n1 ZINC000002764342 172176968 /nfs/dbraw/zinc/17/69/68/172176968.db2.gz XGMOFTWOFLXPOW-UHFFFAOYSA-N 0 0 241.722 2.229 50 0 BEAARN CCn1cc(COc2ccccc2N)c(C)n1 ZINC000020351877 172177446 /nfs/dbraw/zinc/17/74/46/172177446.db2.gz LNDKUKFZFRYJIR-UHFFFAOYSA-N 0 0 231.299 2.373 50 0 BEAARN CCn1cc(NC(=O)c2cccs2)cn1 ZINC000069350879 172183429 /nfs/dbraw/zinc/18/34/29/172183429.db2.gz SIEHARKBVPWYKE-UHFFFAOYSA-N 0 0 221.285 2.217 50 0 BEAARN CCn1cc(NC(=O)c2ccc(Cl)o2)cn1 ZINC000058380718 172184073 /nfs/dbraw/zinc/18/40/73/172184073.db2.gz LSYYITJPKNVDMP-UHFFFAOYSA-N 0 0 239.662 2.402 50 0 BEAARN CCn1cc(NC(=O)c2ccccc2)cn1 ZINC000069349766 172184624 /nfs/dbraw/zinc/18/46/24/172184624.db2.gz HHVYRNGEQNLSHX-UHFFFAOYSA-N 0 0 215.256 2.155 50 0 BEAARN CCn1cc(OC(=O)c2cccs2)cn1 ZINC000191997903 172190353 /nfs/dbraw/zinc/19/03/53/172190353.db2.gz QTUURJIESWTROF-UHFFFAOYSA-N 0 0 222.269 2.184 50 0 BEAARN CCn1ccc(NC(=O)c2ccsc2)n1 ZINC000064555590 172200672 /nfs/dbraw/zinc/20/06/72/172200672.db2.gz VKXOJRJWXZAHPV-UHFFFAOYSA-N 0 0 221.285 2.217 50 0 BEAARN CCn1ccnc(Sc2ccoc2C)c1=O ZINC000097095857 172213436 /nfs/dbraw/zinc/21/34/36/172213436.db2.gz ZEPBRPSPCWFDEH-UHFFFAOYSA-N 0 0 236.296 2.316 50 0 BEAARN CCn1ccnc1SCc1cc(C)no1 ZINC000040034465 172227545 /nfs/dbraw/zinc/22/75/45/172227545.db2.gz KETIBXUAQSLLRR-UHFFFAOYSA-N 0 0 223.301 2.492 50 0 BEAARN CCn1nc(C)c(N[C@@H]2CCSC2)c1C ZINC000097046019 172248571 /nfs/dbraw/zinc/24/85/71/172248571.db2.gz VPPHYSTULYYONV-SNVBAGLBSA-N 0 0 225.361 2.437 50 0 BEAARN CCn1nccc1CN(C)[C@@H](C)c1cccnc1 ZINC000195561942 172264164 /nfs/dbraw/zinc/26/41/64/172264164.db2.gz CQUWDNPIDPDENL-LBPRGKRZSA-N 0 0 244.342 2.491 50 0 BEAARN CCn1nccc1COc1ccccc1N ZINC000072209529 172273603 /nfs/dbraw/zinc/27/36/03/172273603.db2.gz MAONSNVIEUOBFK-UHFFFAOYSA-N 0 0 217.272 2.064 50 0 BEAARN CCn1nccc1NC(=O)c1ccccc1 ZINC000012062591 172277556 /nfs/dbraw/zinc/27/75/56/172277556.db2.gz MHJGWSQDVJSWIR-UHFFFAOYSA-N 0 0 215.256 2.155 50 0 BEAARN CN(C(=O)Nc1nncs1)C1CCCCC1 ZINC000043130600 172324153 /nfs/dbraw/zinc/32/41/53/172324153.db2.gz MWBMORCICQXEPG-UHFFFAOYSA-N 0 0 240.332 2.335 50 0 BEAARN CN(C(=O)OC(C)(C)C)c1ccc(N)cn1 ZINC000040442298 172325737 /nfs/dbraw/zinc/32/57/37/172325737.db2.gz VRFFIXIFUOXXAZ-UHFFFAOYSA-N 0 0 223.276 2.035 50 0 BEAARN CN(C(=O)c1ccccc1)c1cccnc1 ZINC000074026579 172342471 /nfs/dbraw/zinc/34/24/71/172342471.db2.gz QSAJIHDDFMPVMG-UHFFFAOYSA-N 0 0 212.252 2.358 50 0 BEAARN CN(C)/C=C1\Sc2ccccc2NC1=O ZINC000012408189 172350720 /nfs/dbraw/zinc/35/07/20/172350720.db2.gz TVMPITQTJSREJK-YFHOEESVSA-N 0 0 220.297 2.134 50 0 BEAARN CN(C)/C=C/S(=O)(=O)c1ccc(Cl)cc1 ZINC000020365772 172350863 /nfs/dbraw/zinc/35/08/63/172350863.db2.gz QIXNVFMRFLPIDU-BQYQJAHWSA-N 0 0 245.731 2.147 50 0 BEAARN CN(C)C(=O)Cn1c2ccccc2nc1C1CC1 ZINC000069372890 172375349 /nfs/dbraw/zinc/37/53/49/172375349.db2.gz BWVNTGHHCXGUHP-UHFFFAOYSA-N 0 0 243.310 2.002 50 0 BEAARN CN(C)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000045288674 172375620 /nfs/dbraw/zinc/37/56/20/172375620.db2.gz ATLHQYBWLDZXBF-UHFFFAOYSA-N 0 0 217.312 2.196 50 0 BEAARN CN(C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044976607 172386228 /nfs/dbraw/zinc/38/62/28/172386228.db2.gz MVRNCZJEDAJLJR-YUMQZZPRSA-N 0 0 223.238 2.443 50 0 BEAARN CN(C)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000036951641 172388219 /nfs/dbraw/zinc/38/82/19/172388219.db2.gz HBFLVNYJAVVALY-UHFFFAOYSA-N 0 0 219.071 2.090 50 0 BEAARN CN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC000261494391 172388347 /nfs/dbraw/zinc/38/83/47/172388347.db2.gz WKFGAWYPVHSXPG-UHFFFAOYSA-N 0 0 201.628 2.181 50 0 BEAARN CN(C)C(=O)c1cc(N(C)C)nc2ccccc21 ZINC000064554517 172388807 /nfs/dbraw/zinc/38/88/07/172388807.db2.gz TZXPDESYNIUHSQ-UHFFFAOYSA-N 0 0 243.310 2.003 50 0 BEAARN CN(C)C(=O)c1cc2cccc(F)c2o1 ZINC000096426181 172388862 /nfs/dbraw/zinc/38/88/62/172388862.db2.gz ASMPIWMZHMGTON-UHFFFAOYSA-N 0 0 207.204 2.274 50 0 BEAARN CN(C)C(=O)c1ccc(F)c(Br)c1 ZINC000077400555 172390157 /nfs/dbraw/zinc/39/01/57/172390157.db2.gz GSCAUMVTMQJFPH-UHFFFAOYSA-N 0 0 246.079 2.290 50 0 BEAARN CN(C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000079451941 172390909 /nfs/dbraw/zinc/39/09/09/172390909.db2.gz MXKVBULYYGADDK-UHFFFAOYSA-N 0 0 219.284 2.320 50 0 BEAARN CN(C)C(=O)c1csc(-c2ccco2)n1 ZINC000032753167 172391717 /nfs/dbraw/zinc/39/17/17/172391717.db2.gz VQWKMPJXWDQAHR-UHFFFAOYSA-N 0 0 222.269 2.105 50 0 BEAARN CN(C)C(=O)c1cnc2c(F)cccc2c1 ZINC000169833000 172391723 /nfs/dbraw/zinc/39/17/23/172391723.db2.gz QPDVMHHLSJVIDI-UHFFFAOYSA-N 0 0 218.231 2.076 50 0 BEAARN CN(C)C(=S)Nc1c(F)cc(F)cc1F ZINC000000139096 172393382 /nfs/dbraw/zinc/39/33/82/172393382.db2.gz NEYQFKRXTRJJKG-UHFFFAOYSA-N 0 0 234.246 2.362 50 0 BEAARN CN(C)c1ccc(NC(=O)C[C@H]2C=CCC2)cn1 ZINC000024115483 172556069 /nfs/dbraw/zinc/55/60/69/172556069.db2.gz DLDJNEVEWNLTQY-NSHDSACASA-N 0 0 245.326 2.442 50 0 BEAARN CN(C)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000058191134 172565127 /nfs/dbraw/zinc/56/51/27/172565127.db2.gz ADAUGGYUBKESKY-UHFFFAOYSA-N 0 0 246.232 2.045 50 0 BEAARN CN(Cc1ccccc1)C(=O)CC1CCOCC1 ZINC000082306451 172868734 /nfs/dbraw/zinc/86/87/34/172868734.db2.gz VZITZNMHDWYSPV-UHFFFAOYSA-N 0 0 247.338 2.462 50 0 BEAARN CN(c1ccccc1)c1ncnc2c1cnn2C ZINC000008583107 172949805 /nfs/dbraw/zinc/94/98/05/172949805.db2.gz PEKDOBCIWCGMTD-UHFFFAOYSA-N 0 0 239.282 2.131 50 0 BEAARN CN1CCc2cc(Br)ccc2C1 ZINC000074449546 173169521 /nfs/dbraw/zinc/16/95/21/173169521.db2.gz XBWCPPFVDGLVMN-UHFFFAOYSA-N 0 0 226.117 2.437 50 0 BEAARN CN1Cc2cc(Br)ccc2NC1=O ZINC000004141959 173200387 /nfs/dbraw/zinc/20/03/87/173200387.db2.gz FZPAKYJRNKYQBY-UHFFFAOYSA-N 0 0 241.088 2.426 50 0 in-vitro BEAARN CNC(=O)CCSc1ccc(F)cc1 ZINC000058059865 173262881 /nfs/dbraw/zinc/26/28/81/173262881.db2.gz XIXNBWBYXBTPEB-UHFFFAOYSA-N 0 0 213.277 2.054 50 0 BEAARN CNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000057792319 173263128 /nfs/dbraw/zinc/26/31/28/173263128.db2.gz HZFGVRIGRCFKJH-SCZZXKLOSA-N 0 0 207.273 2.082 50 0 BEAARN CNC(=O)COc1c(C)cc(Cl)cc1C ZINC000009315196 173278891 /nfs/dbraw/zinc/27/88/91/173278891.db2.gz CKKYIOBVLNNFJB-UHFFFAOYSA-N 0 0 227.691 2.082 50 0 BEAARN CNC(=O)CSc1ccc(Cl)cc1 ZINC000000379814 173279874 /nfs/dbraw/zinc/27/98/74/173279874.db2.gz JTDAPWSFGBRKTB-UHFFFAOYSA-N 0 0 215.705 2.178 50 0 BEAARN CNC(=O)N(C)Cc1ccc(Cl)s1 ZINC000048644698 173284381 /nfs/dbraw/zinc/28/43/81/173284381.db2.gz QROWCMGMBPWGRZ-UHFFFAOYSA-N 0 0 218.709 2.173 50 0 BEAARN CNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000080585707 173285880 /nfs/dbraw/zinc/28/58/80/173285880.db2.gz RKWAVFIDUBBHCR-YPMHNXCESA-N 0 0 232.327 2.451 50 0 BEAARN CNC(=O)Nc1cccc(Br)c1 ZINC000000398068 173293099 /nfs/dbraw/zinc/29/30/99/173293099.db2.gz WSWUINCWBBKAGN-UHFFFAOYSA-N 0 0 229.077 2.200 50 0 BEAARN CNC(=O)Nc1nc2ccccc2s1 ZINC000001736414 173293344 /nfs/dbraw/zinc/29/33/44/173293344.db2.gz DTCJYIIKPVRVDD-UHFFFAOYSA-N 0 0 207.258 2.048 50 0 in-vitro BEAARN CNC(=O)Oc1ccc(Br)cc1 ZINC000000399077 173293384 /nfs/dbraw/zinc/29/33/84/173293384.db2.gz JDMQNOUMIJRQEX-UHFFFAOYSA-N 0 0 230.061 2.167 50 0 BEAARN CNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014399172 173304384 /nfs/dbraw/zinc/30/43/84/173304384.db2.gz IMTHQXMEGBOSTP-VIFPVBQESA-N 0 0 241.718 2.470 50 0 BEAARN CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000058342437 173308270 /nfs/dbraw/zinc/30/82/70/173308270.db2.gz XYXPDHMUPJSMRW-UWVGGRQHSA-N 0 0 209.676 2.190 50 0 BEAARN CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151056634 173308466 /nfs/dbraw/zinc/30/84/66/173308466.db2.gz FSWXJGSBQVQXSL-BQBZGAKWSA-N 0 0 227.666 2.329 50 0 BEAARN CNC(=O)c1c(Cl)n(C)nc1-c1ccccc1 ZINC000005525923 173309059 /nfs/dbraw/zinc/30/90/59/173309059.db2.gz MAQVSTJPKRKWJV-UHFFFAOYSA-N 0 0 249.701 2.100 50 0 BEAARN CNC(=O)c1cc(Br)ccc1Cl ZINC000005392408 173309711 /nfs/dbraw/zinc/30/97/11/173309711.db2.gz JKYTZJSGPWNIRB-UHFFFAOYSA-N 0 0 248.507 2.462 50 0 BEAARN CNC(=O)c1ccc(-c2ccccc2)nc1 ZINC000013466589 173310107 /nfs/dbraw/zinc/31/01/07/173310107.db2.gz NAEYGPOLCURQPN-UHFFFAOYSA-N 0 0 212.252 2.108 50 0 BEAARN CNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000003562628 173311036 /nfs/dbraw/zinc/31/10/36/173311036.db2.gz KCVNWRRVKOISKD-UHFFFAOYSA-N 0 0 246.310 2.175 50 0 BEAARN CNC(=O)c1nc(-c2ccccc2)oc1C ZINC000005015665 173313655 /nfs/dbraw/zinc/31/36/55/173313655.db2.gz LRWLLNLOTOGQOV-UHFFFAOYSA-N 0 0 216.240 2.010 50 0 BEAARN CNC(=O)c1sc(-n2cccc2)nc1C(C)C ZINC000065118507 173314504 /nfs/dbraw/zinc/31/45/04/173314504.db2.gz GUTZGVYRFQCDAK-UHFFFAOYSA-N 0 0 249.339 2.417 50 0 BEAARN CNC(=O)c1oc2ccc(F)cc2c1C ZINC000013987554 173314625 /nfs/dbraw/zinc/31/46/25/173314625.db2.gz ZMGPRVUGMSYTDA-UHFFFAOYSA-N 0 0 207.204 2.240 50 0 BEAARN CNC(=S)N([C@H](C)c1ccccn1)C1CC1 ZINC000095955786 173315832 /nfs/dbraw/zinc/31/58/32/173315832.db2.gz LHDPSKJDMUBCFD-SECBINFHSA-N 0 0 235.356 2.111 50 0 BEAARN CNc1ccc(C(=O)OC)cc1Br ZINC000039951871 173478522 /nfs/dbraw/zinc/47/85/22/173478522.db2.gz NHAHWTQXZAIUHA-UHFFFAOYSA-N 0 0 244.088 2.277 50 0 BEAARN COC(=O)C1=CCCCN1C(=O)OC(C)(C)C ZINC000063772342 173518099 /nfs/dbraw/zinc/51/80/99/173518099.db2.gz HJZHZSUJUMWLFB-UHFFFAOYSA-N 0 0 241.287 2.074 50 0 BEAARN COC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000058811375 173547336 /nfs/dbraw/zinc/54/73/36/173547336.db2.gz PROCOXSBQZDSPE-UHFFFAOYSA-N 0 0 246.266 2.232 50 0 BEAARN COC(=O)Cc1cccc(Br)c1 ZINC000004204311 173642635 /nfs/dbraw/zinc/64/26/35/173642635.db2.gz ULSSGHADTSRELG-UHFFFAOYSA-N 0 0 229.073 2.165 50 0 BEAARN COC(=O)N=c1[nH]c2ccccc2s1 ZINC000003195665 173663502 /nfs/dbraw/zinc/66/35/02/173663502.db2.gz YKWJTPUXFFRTFG-UHFFFAOYSA-N 0 0 208.242 2.475 50 0 BEAARN COC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000001456867 173694047 /nfs/dbraw/zinc/69/40/47/173694047.db2.gz VQMNXJAGDIIVIN-SNVBAGLBSA-N 0 0 208.257 2.244 50 0 BEAARN COC(=O)[C@@H](C)SCc1ncccc1C ZINC000097165355 173694891 /nfs/dbraw/zinc/69/48/91/173694891.db2.gz SIEBRYRRQKUEKH-SECBINFHSA-N 0 0 225.313 2.185 50 0 BEAARN COC(=O)c1c(C)nc(C2CC2)[nH]c1=S ZINC000015589957 173843241 /nfs/dbraw/zinc/84/32/41/173843241.db2.gz GVECHMNLDWLPBE-UHFFFAOYSA-N 0 0 224.285 2.112 50 0 BEAARN COC(=O)c1cc(-c2ccccc2F)on1 ZINC000026421046 173847851 /nfs/dbraw/zinc/84/78/51/173847851.db2.gz UJELOQIDIAROPA-UHFFFAOYSA-N 0 0 221.187 2.267 50 0 BEAARN COC(=O)c1ccc(COc2ccccn2)cc1 ZINC000072810846 173879431 /nfs/dbraw/zinc/87/94/31/173879431.db2.gz QLHQHOQKSHTWLQ-UHFFFAOYSA-N 0 0 243.262 2.447 50 0 BEAARN COC(=O)c1ccc(Oc2ncccn2)cc1 ZINC000007466439 173886817 /nfs/dbraw/zinc/88/68/17/173886817.db2.gz QPLXGVPDVXGPLS-UHFFFAOYSA-N 0 0 230.223 2.056 50 0 BEAARN COC(=O)c1cccc(Br)c1 ZINC000000403315 173892725 /nfs/dbraw/zinc/89/27/25/173892725.db2.gz KMFJVYMFCAIRAN-UHFFFAOYSA-N 0 0 215.046 2.236 50 0 BEAARN COC(=O)c1ccccc1OC(=O)C(C)C ZINC000000364011 173901069 /nfs/dbraw/zinc/90/10/69/173901069.db2.gz JZKDWCKXMBAXIX-UHFFFAOYSA-N 0 0 222.240 2.035 50 0 BEAARN COC1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000058327799 174026527 /nfs/dbraw/zinc/02/65/27/174026527.db2.gz QXVRVUTYIWCBBH-UHFFFAOYSA-N 0 0 243.690 2.184 50 0 BEAARN COC1CCN(C(=O)c2cc(C)cs2)CC1 ZINC000044451337 174026650 /nfs/dbraw/zinc/02/66/50/174026650.db2.gz FRIHEGAGMVAEOV-UHFFFAOYSA-N 0 0 239.340 2.308 50 0 BEAARN COCC(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000040089051 174055802 /nfs/dbraw/zinc/05/58/02/174055802.db2.gz GHMLWSYRQQIHMA-SECBINFHSA-N 0 0 239.340 2.232 50 0 BEAARN COCC(=O)Nc1cccc(Cl)c1C ZINC000000361764 174059904 /nfs/dbraw/zinc/05/99/04/174059904.db2.gz YMYOSZKKLWFPFZ-UHFFFAOYSA-N 0 0 213.664 2.233 50 0 BEAARN COCCC(C)(C)NC(=O)CCCOC(C)C ZINC000170594137 174145861 /nfs/dbraw/zinc/14/58/61/174145861.db2.gz TUAHYSUXXWTIBR-UHFFFAOYSA-N 0 0 245.363 2.123 50 0 BEAARN COCCCCCn1c2ccccc2n(C)c1=O ZINC000072302014 174186711 /nfs/dbraw/zinc/18/67/11/174186711.db2.gz AVBLMRMEVKBEGW-UHFFFAOYSA-N 0 0 248.326 2.157 50 0 BEAARN COCCCC[S@@](=O)c1ccoc1C ZINC000189645352 174207710 /nfs/dbraw/zinc/20/77/10/174207710.db2.gz GCTZRLVNFHXXKN-CQSZACIVSA-N 0 0 216.302 2.122 50 0 BEAARN COCCCCSc1nnc(N(C)C)s1 ZINC000083855467 174208389 /nfs/dbraw/zinc/20/83/89/174208389.db2.gz VGJTYVVEEXRZKQ-UHFFFAOYSA-N 0 0 247.389 2.123 50 0 BEAARN COCCCNC(=O)/C=C/c1ccc(C)cc1 ZINC000002319469 174236741 /nfs/dbraw/zinc/23/67/41/174236741.db2.gz VEYRZGKCQMDGAH-CMDGGOBGSA-N 0 0 233.311 2.161 50 0 BEAARN COCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000048324749 174244502 /nfs/dbraw/zinc/24/45/02/174244502.db2.gz YSUOQZKOQNGYEQ-VXGBXAGGSA-N 0 0 239.359 2.378 50 0 BEAARN COCCCNC(=O)c1ccc(C)c(Cl)c1 ZINC000002929521 174245401 /nfs/dbraw/zinc/24/54/01/174245401.db2.gz VSYXHRBLOZOZGU-UHFFFAOYSA-N 0 0 241.718 2.415 50 0 BEAARN COCCCNc1cccc(Cl)n1 ZINC000042783981 174251793 /nfs/dbraw/zinc/25/17/93/174251793.db2.gz HXCJHLWUIRZNNN-UHFFFAOYSA-N 0 0 200.669 2.183 50 0 BEAARN COCCCNc1nc2ccccc2nc1C ZINC000044782048 174251843 /nfs/dbraw/zinc/25/18/43/174251843.db2.gz YUOGVUZSFHFOHV-UHFFFAOYSA-N 0 0 231.299 2.387 50 0 BEAARN COCCCOc1ccc(Br)nc1 ZINC000183264458 174256837 /nfs/dbraw/zinc/25/68/37/174256837.db2.gz OWZSJIAZNXBBIL-UHFFFAOYSA-N 0 0 246.104 2.259 50 0 BEAARN COCCN(C(=O)c1ccoc1)C1CCCC1 ZINC000045513124 174269125 /nfs/dbraw/zinc/26/91/25/174269125.db2.gz QYRLXXDLWWYKNP-UHFFFAOYSA-N 0 0 237.299 2.311 50 0 BEAARN COCCNC(=O)Nc1cccc(Cl)c1F ZINC000043450732 174325946 /nfs/dbraw/zinc/32/59/46/174325946.db2.gz MVYAKKAJIPKHRW-UHFFFAOYSA-N 0 0 246.669 2.247 50 0 BEAARN COCCNC(=O)Nc1ccc(Cl)c(F)c1 ZINC000048478469 174326025 /nfs/dbraw/zinc/32/60/25/174326025.db2.gz OPRHEPPOIANXPC-UHFFFAOYSA-N 0 0 246.669 2.247 50 0 BEAARN COCCNC(=O)c1ccccc1C(F)(F)F ZINC000039975540 174329011 /nfs/dbraw/zinc/32/90/11/174329011.db2.gz MISTZQSEHYCNQK-UHFFFAOYSA-N 0 0 247.216 2.082 50 0 BEAARN COCCNC(=S)Nc1cc(C)cc(C)c1 ZINC000003262684 174330534 /nfs/dbraw/zinc/33/05/34/174330534.db2.gz QTLXBXCRSOLXNO-UHFFFAOYSA-N 0 0 238.356 2.236 50 0 BEAARN COCCNc1ncnc2sc3c(c21)CCC3 ZINC000012598665 174342529 /nfs/dbraw/zinc/34/25/29/174342529.db2.gz MHXCIBAQQKGOGI-UHFFFAOYSA-N 0 0 249.339 2.238 50 0 BEAARN COCCOC(=O)/C=C\c1nc2ccccc2o1 ZINC000222046195 174342824 /nfs/dbraw/zinc/34/28/24/174342824.db2.gz SQHBYGIKDSGYDZ-SREVYHEPSA-N 0 0 247.250 2.031 50 0 BEAARN COCCOC(=O)Nc1c(C)cccc1C ZINC000002172140 174343609 /nfs/dbraw/zinc/34/36/09/174343609.db2.gz WIIVFKULHHDOSH-UHFFFAOYSA-N 0 0 223.272 2.498 50 0 BEAARN COCCOc1ccc(O)c(Cl)c1 ZINC000261493952 174368483 /nfs/dbraw/zinc/36/84/83/174368483.db2.gz MOSAOGVNIOCOFW-UHFFFAOYSA-N 0 0 202.637 2.071 50 0 BEAARN COCCOc1ccccc1Br ZINC000019441738 174370215 /nfs/dbraw/zinc/37/02/15/174370215.db2.gz YQNVKSQBACJWHD-UHFFFAOYSA-N 0 0 231.089 2.474 50 0 BEAARN COCCOc1ncc(Br)cc1C ZINC000091366356 174370781 /nfs/dbraw/zinc/37/07/81/174370781.db2.gz VBZGOCVKBCJPKY-UHFFFAOYSA-N 0 0 246.104 2.178 50 0 BEAARN COCC[C@@H](C)SCc1nnc(C)o1 ZINC000096467896 174388533 /nfs/dbraw/zinc/38/85/33/174388533.db2.gz BLXMTJGTKMLXRM-SSDOTTSWSA-N 0 0 216.306 2.036 50 0 BEAARN COC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC000000455766 174452892 /nfs/dbraw/zinc/45/28/92/174452892.db2.gz HWHUGTXTOFUKQT-SECBINFHSA-N 0 0 241.718 2.034 50 0 BEAARN COC[C@@H](C)Nc1cc(F)cc(F)c1 ZINC000053172318 174461475 /nfs/dbraw/zinc/46/14/75/174461475.db2.gz UUUVVLUBYNPWTI-SSDOTTSWSA-N 0 0 201.216 2.412 50 0 BEAARN COCc1nc(Cl)cc(NC(C)C)n1 ZINC000082509817 174642561 /nfs/dbraw/zinc/64/25/61/174642561.db2.gz HKXDMAZBAQRBKH-UHFFFAOYSA-N 0 0 215.684 2.097 50 0 BEAARN CO[C@@H]1CCCC[C@H]1NC(=O)SC ZINC000000389945 174741665 /nfs/dbraw/zinc/74/16/65/174741665.db2.gz IOTMQUJRLGPJRI-HTQZYQBOSA-N 0 0 203.307 2.017 50 0 BEAARN CO[C@H](CNC(C)=O)c1ccc(Cl)s1 ZINC000225699593 174866633 /nfs/dbraw/zinc/86/66/33/174866633.db2.gz BFBVZDQHZQZJCU-SSDOTTSWSA-N 0 0 233.720 2.225 50 0 BEAARN COc1c(N)ccc(F)c1Br ZINC000071790053 174933053 /nfs/dbraw/zinc/93/30/53/174933053.db2.gz STJSFBKAABBREW-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN COc1c[nH]c(=O)c2cc(Cl)ccc12 ZINC000095629926 174937238 /nfs/dbraw/zinc/93/72/38/174937238.db2.gz JLRCBNLADGATRC-UHFFFAOYSA-N 0 0 209.632 2.190 50 0 BEAARN COc1cc(N)ccc1-c1c(C)n[nH]c1C ZINC000096113705 174996246 /nfs/dbraw/zinc/99/62/46/174996246.db2.gz VZAKQTFRRDWCCK-UHFFFAOYSA-N 0 0 217.272 2.284 50 0 BEAARN COc1cc(NCc2cc[nH]n2)cc(OC)c1 ZINC000020350790 175003126 /nfs/dbraw/zinc/00/31/26/175003126.db2.gz BFOIWARYZDBQKR-UHFFFAOYSA-N 0 0 233.271 2.039 50 0 BEAARN COc1cc(OC)c(C(C)=O)cc1C(C)=O ZINC000002387711 175006962 /nfs/dbraw/zinc/00/69/62/175006962.db2.gz NSPIPHLQGRBQKJ-UHFFFAOYSA-N 0 0 222.240 2.109 50 0 BEAARN COc1cc(OC)c(OC)cc1Br ZINC000000163122 175006987 /nfs/dbraw/zinc/00/69/87/175006987.db2.gz SFEPXIIFUHNCDO-UHFFFAOYSA-N 0 0 247.088 2.475 50 0 BEAARN COc1cc(OC)c2c(C)c(C)c(=O)oc2c1 ZINC000000615073 175007673 /nfs/dbraw/zinc/00/76/73/175007673.db2.gz DSEWKPDYKKXOIB-UHFFFAOYSA-N 0 0 234.251 2.427 50 0 biogenic BEAARN COc1cc(O[C@H]2CCCCO2)ccc1C=O ZINC000001420647 175013449 /nfs/dbraw/zinc/01/34/49/175013449.db2.gz XDLKXYRFRQWAJD-ZDUSSCGKSA-N 0 0 236.267 2.413 50 0 BEAARN COc1cc2c(Br)c[nH]c2cn1 ZINC000044831986 175018646 /nfs/dbraw/zinc/01/86/46/175018646.db2.gz HSLZMAWJHILVMP-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1cc2c(cc1OC)C(=O)CCC2 ZINC000004529198 175023135 /nfs/dbraw/zinc/02/31/35/175023135.db2.gz YNNJHKOXXBIJKK-UHFFFAOYSA-N 0 0 206.241 2.223 50 0 BEAARN COc1cc2c(cc1OC)N=C(Cl)NC2 ZINC000096318622 175024142 /nfs/dbraw/zinc/02/41/42/175024142.db2.gz JBRJEVUADFWVCK-UHFFFAOYSA-N 0 0 226.663 2.033 50 0 BEAARN COc1ccc(-c2cc(C=O)on2)cc1 ZINC000020443900 175031619 /nfs/dbraw/zinc/03/16/19/175031619.db2.gz KAKLXOGRVNKBQR-UHFFFAOYSA-N 0 0 203.197 2.163 50 0 BEAARN COc1ccc(-c2ccc(=O)[nH]c2)cc1 ZINC000044062994 175032398 /nfs/dbraw/zinc/03/23/98/175032398.db2.gz CHDTWSPLGKBXPY-UHFFFAOYSA-N 0 0 201.225 2.051 50 0 BEAARN COc1ccc(-c2ccnc(NC#N)n2)cc1F ZINC000032103340 175035581 /nfs/dbraw/zinc/03/55/81/175035581.db2.gz HQEMUCGLSDUTPG-UHFFFAOYSA-N 0 0 244.229 2.184 50 0 BEAARN COc1ccc(-c2cnc(N)cn2)cc1Cl ZINC000067895087 175037150 /nfs/dbraw/zinc/03/71/50/175037150.db2.gz XBJIRQTUBCZTLL-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN COc1ccc(-c2csc(N)n2)c(O)c1 ZINC000015956992 175037661 /nfs/dbraw/zinc/03/76/61/175037661.db2.gz CYMNSEWJAXMDRV-UHFFFAOYSA-N 0 0 222.269 2.107 50 0 BEAARN COc1ccc(-c2nc3ncccc3o2)cc1N ZINC000004733360 175041089 /nfs/dbraw/zinc/04/10/89/175041089.db2.gz BQYWCWWCDXAMOP-UHFFFAOYSA-N 0 0 241.250 2.481 50 0 BEAARN COc1ccc(-c2nnc(NC(C)=O)s2)cc1 ZINC000000069113 175042166 /nfs/dbraw/zinc/04/21/66/175042166.db2.gz XTDHGXXVAMBSBV-UHFFFAOYSA-N 0 0 249.295 2.172 50 0 BEAARN COc1ccc(/C=C2\CCOC2=O)cc1 ZINC000012341335 175047931 /nfs/dbraw/zinc/04/79/31/175047931.db2.gz MBSKMEQHKIKWQZ-CSKARUKUSA-N 0 0 204.225 2.026 50 0 BEAARN COc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000012410104 175048131 /nfs/dbraw/zinc/04/81/31/175048131.db2.gz VRUKGUBMRBLJJW-RMKNXTFCSA-N 0 0 235.264 2.019 50 0 BEAARN COc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1 ZINC000012341774 175048165 /nfs/dbraw/zinc/04/81/65/175048165.db2.gz LQCLLWWODNPCCK-YFHOEESVSA-N 0 0 249.291 2.361 50 0 BEAARN COc1ccc(Br)c2oc(N)nc21 ZINC000097757426 175051356 /nfs/dbraw/zinc/05/13/56/175051356.db2.gz FWJZZGUANNDQLF-UHFFFAOYSA-N 0 0 243.060 2.181 50 0 BEAARN COc1ccc(C(=O)NC2CCCC2)c(OC)c1 ZINC000003093841 175058513 /nfs/dbraw/zinc/05/85/13/175058513.db2.gz CBFPDYRPANXHTK-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN COc1ccc(C(=O)NC2CCCCC2)cn1 ZINC000016202633 175058856 /nfs/dbraw/zinc/05/88/56/175058856.db2.gz JJJMFVGFOITCSZ-UHFFFAOYSA-N 0 0 234.299 2.153 50 0 BEAARN COc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000000389997 175061195 /nfs/dbraw/zinc/06/11/95/175061195.db2.gz SAMKMCKBAPUPKB-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccc(C(=S)N2CCCC2)cc1 ZINC000000355351 175066664 /nfs/dbraw/zinc/06/66/64/175066664.db2.gz BDSQCHIHUIYHFI-UHFFFAOYSA-N 0 0 221.325 2.467 50 0 BEAARN COc1ccc(C)cc1-c1cncnc1 ZINC000067472645 175072452 /nfs/dbraw/zinc/07/24/52/175072452.db2.gz RHMFQHLRPCRCJW-UHFFFAOYSA-N 0 0 200.241 2.461 50 0 BEAARN COc1ccc(C=O)c(OC(F)(F)F)c1 ZINC000012359199 175086153 /nfs/dbraw/zinc/08/61/53/175086153.db2.gz NPUIWDQXZDLZIM-UHFFFAOYSA-N 0 0 220.146 2.406 50 0 BEAARN COc1ccc(C2N3CC(C)(C)CN23)cc1 ZINC000019168379 175086248 /nfs/dbraw/zinc/08/62/48/175086248.db2.gz LBOGDFBDEDSKOA-UHFFFAOYSA-N 0 0 218.300 2.266 50 0 BEAARN COc1ccc(C=O)cc1CN1CCCCC1 ZINC000000500334 175086385 /nfs/dbraw/zinc/08/63/85/175086385.db2.gz XGYIPSUCUPAHRT-UHFFFAOYSA-N 0 0 233.311 2.494 50 0 BEAARN COc1ccc(C=O)cc1Cc1c(C)n[nH]c1C ZINC000004944072 175086422 /nfs/dbraw/zinc/08/64/22/175086422.db2.gz RZFDGRBTDFACTC-UHFFFAOYSA-N 0 0 244.294 2.438 50 0 BEAARN COc1ccc(C=O)c(OC(F)F)c1 ZINC000040887824 175086436 /nfs/dbraw/zinc/08/64/36/175086436.db2.gz MOOKIJWUMFKXMD-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN COc1ccc(CCOc2cc(C)n(C)n2)cc1 ZINC000095982003 175092313 /nfs/dbraw/zinc/09/23/13/175092313.db2.gz RTHOCXLWVBPLEJ-UHFFFAOYSA-N 0 0 246.310 2.359 50 0 BEAARN COc1ccc(CNC(=O)OC(C)C)cc1 ZINC000000406302 175105034 /nfs/dbraw/zinc/10/50/34/175105034.db2.gz GZDJNNBBQXMJNM-UHFFFAOYSA-N 0 0 223.272 2.330 50 0 BEAARN COc1ccc(COCC(=O)OC(C)C)cc1 ZINC000042255258 175113440 /nfs/dbraw/zinc/11/34/40/175113440.db2.gz FBBFCZWEQKSRAL-UHFFFAOYSA-N 0 0 238.283 2.163 50 0 BEAARN COc1ccc(Cl)c2c(=O)cc(C)[nH]c12 ZINC000008700576 175118972 /nfs/dbraw/zinc/11/89/72/175118972.db2.gz BEXGEZNCPYSKEH-UHFFFAOYSA-N 0 0 223.659 2.499 50 0 BEAARN COc1ccc(Cl)cc1C(=O)n1cccn1 ZINC000000473753 175120628 /nfs/dbraw/zinc/12/06/28/175120628.db2.gz HCLFVKYWLMKNGS-UHFFFAOYSA-N 0 0 236.658 2.234 50 0 BEAARN COc1ccc(F)c(-c2nccn2C)c1 ZINC000032513811 175124706 /nfs/dbraw/zinc/12/47/06/175124706.db2.gz DBCYQCUWVSDUOB-UHFFFAOYSA-N 0 0 206.220 2.235 50 0 BEAARN COc1ccc(N(C)C(=O)c2ccccc2)cn1 ZINC000048354759 175135965 /nfs/dbraw/zinc/13/59/65/175135965.db2.gz ATKDASKSGPJQOM-UHFFFAOYSA-N 0 0 242.278 2.367 50 0 BEAARN COc1ccc(N)cc1OCc1ccncc1 ZINC000020283601 175138668 /nfs/dbraw/zinc/13/86/68/175138668.db2.gz NOYPQAVZIVGEGE-UHFFFAOYSA-N 0 0 230.267 2.251 50 0 BEAARN COc1ccc(NC(=O)Cc2ccccc2)cn1 ZINC000006122749 175142766 /nfs/dbraw/zinc/14/27/66/175142766.db2.gz VIOXEJGYJLWFDX-UHFFFAOYSA-N 0 0 242.278 2.271 50 0 BEAARN COc1ccc(NC(=O)N2CCC[C@H](C)C2)cn1 ZINC000048019135 175143715 /nfs/dbraw/zinc/14/37/15/175143715.db2.gz UFSDEIVXOMZYCM-JTQLQIEISA-N 0 0 249.314 2.354 50 0 BEAARN COc1ccc(NC(=O)Nc2ccon2)cc1 ZINC000006726520 175144993 /nfs/dbraw/zinc/14/49/93/175144993.db2.gz XDUOPNDWBBXKJL-UHFFFAOYSA-N 0 0 233.227 2.327 50 0 BEAARN COc1ccc(NC(C)=O)cc1Br ZINC000000570544 175148371 /nfs/dbraw/zinc/14/83/71/175148371.db2.gz FOMGGBXHSUSZFZ-UHFFFAOYSA-N 0 0 244.088 2.416 50 0 BEAARN COc1ccc(NC(N)=S)cc1Cl ZINC000020368742 175149745 /nfs/dbraw/zinc/14/97/45/175149745.db2.gz AKTRNWGJVKXGOV-UHFFFAOYSA-N 0 0 216.693 2.004 50 0 BEAARN COc1ccc(N[C@H](C)CCn2cccn2)cn1 ZINC000097162467 175155037 /nfs/dbraw/zinc/15/50/37/175155037.db2.gz SBHZNVOLYOKIRZ-LLVKDONJSA-N 0 0 246.314 2.177 50 0 BEAARN COc1ccc(Nc2nccc(OC)n2)cc1 ZINC000000151955 175156600 /nfs/dbraw/zinc/15/66/00/175156600.db2.gz QCNHDNFCJYNJDI-UHFFFAOYSA-N 0 0 231.255 2.237 50 0 BEAARN COc1ccc(OC(=O)[C@H]2C[C@@H]2C)cc1OC ZINC000096442983 175162814 /nfs/dbraw/zinc/16/28/14/175162814.db2.gz KDZZEDKSRRAHHO-WPRPVWTQSA-N 0 0 236.267 2.265 50 0 BEAARN COc1ccc(OC)c(C2CC(=O)CC(=O)C2)c1 ZINC000100139688 175164578 /nfs/dbraw/zinc/16/45/78/175164578.db2.gz IORAMGISNOTYIW-UHFFFAOYSA-N 0 0 248.278 2.110 50 0 BEAARN COc1ccc([C@H](C(=O)[O-])[NH+]2CCCCC2)cc1 ZINC000008699013 175187260 /nfs/dbraw/zinc/18/72/60/175187260.db2.gz CBMNAADKSPPWGJ-CYBMUJFWSA-N 0 0 249.310 2.307 50 0 BEAARN COc1ccc([C@H](O)c2ccccn2)cc1 ZINC000000393747 175193877 /nfs/dbraw/zinc/19/38/77/175193877.db2.gz OQFKODRWEHYZQP-ZDUSSCGKSA-N 0 0 215.252 2.172 50 0 in-vitro BEAARN COc1ccc2[nH]c3c(c2c1)CC(=O)CC3 ZINC000083722951 175202397 /nfs/dbraw/zinc/20/23/97/175202397.db2.gz CISGDMAISVQRCV-UHFFFAOYSA-N 0 0 215.252 2.234 50 0 BEAARN COc1ccc2c(c1)[C@@H](SC)C(=O)N2 ZINC000101367712 175214807 /nfs/dbraw/zinc/21/48/07/175214807.db2.gz YCRSXMKKHBGOJD-SECBINFHSA-N 0 0 209.270 2.051 50 0 BEAARN COc1ccc2c(c1OC)NC(=O)[C@@H]2SC ZINC000038953994 175223010 /nfs/dbraw/zinc/22/30/10/175223010.db2.gz QRARCXAFFXRMQC-SNVBAGLBSA-N 0 0 239.296 2.060 50 0 BEAARN COc1ccc2cc(C(=O)C=O)ccc2c1 ZINC000002548078 175223455 /nfs/dbraw/zinc/22/34/55/175223455.db2.gz BAVQWNGBJSPFBJ-UHFFFAOYSA-N 0 0 214.220 2.230 50 0 BEAARN COc1ccc2c(c1)o/c(=N\N)c1c2CCCC1 ZINC000020426502 175223949 /nfs/dbraw/zinc/22/39/49/175223949.db2.gz WEVCLIUCMQPGQT-PEZBUJJGSA-N 0 0 244.294 2.095 50 0 BEAARN COc1ccc2nc(OC)c(C=O)cc2c1 ZINC000006677798 175229373 /nfs/dbraw/zinc/22/93/73/175229373.db2.gz QEVPUKVDQCVMGD-UHFFFAOYSA-N 0 0 217.224 2.065 50 0 BEAARN COc1ccc2nccc(Br)c2n1 ZINC000071624243 175229833 /nfs/dbraw/zinc/22/98/33/175229833.db2.gz HPQMRRPAOIGXFW-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN COc1ccc2oc(=O)c(C(C)=O)cc2c1 ZINC000000174961 175231202 /nfs/dbraw/zinc/23/12/02/175231202.db2.gz AAVQBJDAXLIBIO-UHFFFAOYSA-N 0 0 218.208 2.004 50 0 biogenic BEAARN COc1cccc(-c2csc3nc(N)nn23)c1 ZINC000031891253 175235668 /nfs/dbraw/zinc/23/56/68/175235668.db2.gz HMAOKFDZXDDCAM-UHFFFAOYSA-N 0 0 246.295 2.049 50 0 BEAARN COc1cccc(-c2nnc3n2C[C@H](C)S3)c1 ZINC000000105186 175237478 /nfs/dbraw/zinc/23/74/78/175237478.db2.gz YVYDUGDAGWPUGC-QMMMGPOBSA-N 0 0 247.323 2.448 50 0 BEAARN COc1cccc(-c2noc(N3CCCC3)n2)c1 ZINC000021631084 175238975 /nfs/dbraw/zinc/23/89/75/175238975.db2.gz LIDBFEQPNWSJEQ-UHFFFAOYSA-N 0 0 245.282 2.345 50 0 BEAARN COc1cccc(C(=O)N(C)C2CCCC2)c1O ZINC000032845234 175242694 /nfs/dbraw/zinc/24/26/94/175242694.db2.gz HAQJPTDNPFKHJG-UHFFFAOYSA-N 0 0 249.310 2.415 50 0 BEAARN COc1cccc(C(=O)N2CCCCC2)c1OC ZINC000000496394 175243726 /nfs/dbraw/zinc/24/37/26/175243726.db2.gz GZJXNGOMIMWSIP-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN COc1cccc(C(=O)NCC(C)C)c1OC ZINC000000496523 175244520 /nfs/dbraw/zinc/24/45/20/175244520.db2.gz CLXDLCBUXVUXHR-UHFFFAOYSA-N 0 0 237.299 2.090 50 0 BEAARN COc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000003754743 175258304 /nfs/dbraw/zinc/25/83/04/175258304.db2.gz FSNSOIRVTRIDGK-ZDUSSCGKSA-N 0 0 249.310 2.134 50 0 BEAARN COc1cccc(CNC(=O)OC(C)(C)C)n1 ZINC000095616348 175262170 /nfs/dbraw/zinc/26/21/70/175262170.db2.gz GKSJNAKJVBZUFJ-UHFFFAOYSA-N 0 0 238.287 2.115 50 0 BEAARN COc1cccc(Nc2ncnc3n[nH]cc32)c1 ZINC000001776169 175280846 /nfs/dbraw/zinc/28/08/46/175280846.db2.gz XUPQWTVNWSZXHJ-UHFFFAOYSA-N 0 0 241.254 2.105 50 0 BEAARN COc1cccc(OC(F)F)c1C=O ZINC000263625079 175281000 /nfs/dbraw/zinc/28/10/00/175281000.db2.gz WNIURSAWNFALNQ-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN COc1cccc(OC)c1C(=O)c1ccncc1 ZINC000000142958 175281400 /nfs/dbraw/zinc/28/14/00/175281400.db2.gz FCMHRUSFYIQJIV-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1cccc(OCCn2ccc(C)n2)c1 ZINC000097229732 175283369 /nfs/dbraw/zinc/28/33/69/175283369.db2.gz KTVJOBUMUWCNGD-UHFFFAOYSA-N 0 0 232.283 2.279 50 0 BEAARN COc1cccc(OCCn2cccc2C=O)c1 ZINC000006674222 175283506 /nfs/dbraw/zinc/28/35/06/175283506.db2.gz UEHJCAASKQBTHV-UHFFFAOYSA-N 0 0 245.278 2.388 50 0 BEAARN COc1ccccc1-c1cc(NC(C)=O)n[nH]1 ZINC000063864730 175309175 /nfs/dbraw/zinc/30/91/75/175309175.db2.gz YFJLTWRMRXAVQD-UHFFFAOYSA-N 0 0 231.255 2.044 50 0 BEAARN COc1ccccc1-c1ccnc(NC#N)n1 ZINC000067630560 175310139 /nfs/dbraw/zinc/31/01/39/175310139.db2.gz NNENHIBISMSESQ-UHFFFAOYSA-N 0 0 226.239 2.045 50 0 BEAARN COc1ccccc1-c1csc(=O)[nH]1 ZINC000034669869 175310204 /nfs/dbraw/zinc/31/02/04/175310204.db2.gz FLBUAKZNOMZWAW-UHFFFAOYSA-N 0 0 207.254 2.112 50 0 BEAARN COc1ccccc1C(=O)NCCC(C)C ZINC000000363887 175318248 /nfs/dbraw/zinc/31/82/48/175318248.db2.gz WHBFNXXLHXQFRP-UHFFFAOYSA-N 0 0 221.300 2.471 50 0 BEAARN COc1ccccc1C(=O)NCc1cccnc1 ZINC000000311509 175318257 /nfs/dbraw/zinc/31/82/57/175318257.db2.gz LLRIBQDWGHKXIN-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccccc1C(=O)Nc1nccs1 ZINC000003958656 175318808 /nfs/dbraw/zinc/31/88/08/175318808.db2.gz VPTRTZRDJKGVQR-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN COc1ccccc1C(=O)OC1CCC1 ZINC000032179634 175319320 /nfs/dbraw/zinc/31/93/20/175319320.db2.gz GMADQDHAPAAUKX-UHFFFAOYSA-N 0 0 206.241 2.405 50 0 BEAARN COc1ccccc1CC(=O)NC1CCCC1 ZINC000000030159 175321252 /nfs/dbraw/zinc/32/12/52/175321252.db2.gz MQENSWQZMGKFCI-UHFFFAOYSA-N 0 0 233.311 2.297 50 0 BEAARN COc1ccccc1CNC(=O)NCC(C)C ZINC000030985658 175328720 /nfs/dbraw/zinc/32/87/20/175328720.db2.gz VVOBOZXYAZOHDN-UHFFFAOYSA-N 0 0 236.315 2.150 50 0 BEAARN COc1ccccc1CNc1nc(C)ns1 ZINC000083647862 175331716 /nfs/dbraw/zinc/33/17/16/175331716.db2.gz XYZVMWLJLJVRMQ-UHFFFAOYSA-N 0 0 235.312 2.467 50 0 BEAARN COc1ccccc1I ZINC000000391100 175335239 /nfs/dbraw/zinc/33/52/39/175335239.db2.gz DVQWNQBEUKXONL-UHFFFAOYSA-N 0 0 234.036 2.300 50 0 in-vitro BEAARN COc1ccccc1N1CCSC1=O ZINC000000269201 175335775 /nfs/dbraw/zinc/33/57/75/175335775.db2.gz RAKWVPKVZDMUBA-UHFFFAOYSA-N 0 0 209.270 2.368 50 0 BEAARN COc1ccccc1[C@@H](N)C(F)(F)F ZINC000045206691 175347585 /nfs/dbraw/zinc/34/75/85/175347585.db2.gz LMXVBSFRTBFWFN-MRVPVSSYSA-N 0 0 205.179 2.257 50 0 BEAARN COc1ccnc(-c2cc(OC)ccn2)c1 ZINC000000403962 175356891 /nfs/dbraw/zinc/35/68/91/175356891.db2.gz IMEVSAIFJKKDAP-UHFFFAOYSA-N 0 0 216.240 2.161 50 0 BEAARN COc1ccnc(N(C)C2CCCCC2)n1 ZINC000070789345 175361189 /nfs/dbraw/zinc/36/11/89/175361189.db2.gz FTQXOLWRQIQLMW-UHFFFAOYSA-N 0 0 221.304 2.254 50 0 BEAARN COc1ccnc(NC(=O)/C=C\c2ccco2)c1 ZINC000222018041 175363816 /nfs/dbraw/zinc/36/38/16/175363816.db2.gz NGLIJHGKATXXGD-PLNGDYQASA-N 0 0 244.250 2.335 50 0 BEAARN COc1cnc2[nH]cc(Br)c2c1 ZINC000030678173 175381800 /nfs/dbraw/zinc/38/18/00/175381800.db2.gz ORLBCCYCMDWJEF-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1nc(-c2ccccc2N(C)C)ncc1F ZINC000215954330 175388443 /nfs/dbraw/zinc/38/84/43/175388443.db2.gz RYUCAAJTNOBBIW-UHFFFAOYSA-N 0 0 247.273 2.357 50 0 BEAARN COc1ncccc1NC(=O)N1CCCC[C@@H]1C ZINC000048364908 175409326 /nfs/dbraw/zinc/40/93/26/175409326.db2.gz RWYZQLLACVPGSC-JTQLQIEISA-N 0 0 249.314 2.497 50 0 BEAARN CSCCC(=O)NCc1ccc(C)cc1 ZINC000013005038 175467665 /nfs/dbraw/zinc/46/76/65/175467665.db2.gz FNZZYTPYIPUBAW-UHFFFAOYSA-N 0 0 223.341 2.364 50 0 BEAARN CSCCC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067503985 175468284 /nfs/dbraw/zinc/46/82/84/175468284.db2.gz CKDTVPGSUBOLAQ-NWDGAFQWSA-N 0 0 235.352 2.412 50 0 BEAARN CS[C@H](C)C(=O)NCc1sccc1C ZINC000036398265 175555333 /nfs/dbraw/zinc/55/53/33/175555333.db2.gz GHZYJRZVJKEEJT-MRVPVSSYSA-N 0 0 229.370 2.424 50 0 BEAARN CSc1cc(C)ccc1CNC(C)=O ZINC000089626305 175572455 /nfs/dbraw/zinc/57/24/55/175572455.db2.gz OUJWIPGUNPXOAV-UHFFFAOYSA-N 0 0 209.314 2.353 50 0 BEAARN CSc1cccc(Cl)c1C(N)=O ZINC000095347690 175579870 /nfs/dbraw/zinc/57/98/70/175579870.db2.gz WKRGXFXDWBBOGE-UHFFFAOYSA-N 0 0 201.678 2.161 50 0 BEAARN CSc1nnc(-c2cccs2)n1C ZINC000000148722 175590760 /nfs/dbraw/zinc/59/07/60/175590760.db2.gz GKGGLWHLQWXTQX-UHFFFAOYSA-N 0 0 211.315 2.266 50 0 BEAARN CSc1nncn1CCc1cccs1 ZINC000069440772 175592550 /nfs/dbraw/zinc/59/25/50/175592550.db2.gz WQRPUCABARWRBL-UHFFFAOYSA-N 0 0 225.342 2.304 50 0 BEAARN CSc1nnc2c3ccccc3n(C)c2n1 ZINC000000105401 175593152 /nfs/dbraw/zinc/59/31/52/175593152.db2.gz ZBORRTLUNZDCNU-UHFFFAOYSA-N 0 0 230.296 2.238 50 0 BEAARN CSc1nsc(SC)c1CO ZINC000000105809 175593335 /nfs/dbraw/zinc/59/33/35/175593335.db2.gz SIFVTEYXNRZCMI-UHFFFAOYSA-N 0 0 207.345 2.079 50 0 BEAARN C[C@@H](C(=O)NCCC1=CCCC1)c1cncnc1 ZINC000333428200 175613414 /nfs/dbraw/zinc/61/34/14/175613414.db2.gz JNXMCYXOKWNEFI-LLVKDONJSA-N 0 0 245.326 2.197 50 0 BEAARN C[C@@H](CCO)Nc1ncccc1C(F)(F)F ZINC000077226195 175683881 /nfs/dbraw/zinc/68/38/81/175683881.db2.gz AVWHYQALTJTPDU-ZETCQYMHSA-N 0 0 234.221 2.283 50 0 BEAARN C=CC(=O)N1CCCc2cccc(OC)c21 ZINC000037839058 487631588 /nfs/dbraw/zinc/63/15/88/487631588.db2.gz QBCDDPNYAGWAMF-UHFFFAOYSA-N 0 0 217.268 2.160 50 0 BEAARN C[C@@H](CO)S[C@@H](C)C(=O)Nc1ccccc1 ZINC000160709462 175759724 /nfs/dbraw/zinc/75/97/24/175759724.db2.gz QTSFDQRSNFGVLH-UWVGGRQHSA-N 0 0 239.340 2.128 50 0 BEAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@H]1CCCO1 ZINC000006726267 175849902 /nfs/dbraw/zinc/84/99/02/175849902.db2.gz ABYJVNLSKNKHGF-BXKDBHETSA-N 0 0 237.274 2.123 50 0 BEAARN C[C@@H](OC1CCCCCC1)C(=O)N(C)C ZINC000089368707 176002431 /nfs/dbraw/zinc/00/24/31/176002431.db2.gz IHGYZWNBYGCSIP-SNVBAGLBSA-N 0 0 213.321 2.203 50 0 BEAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)C ZINC000030873311 176004518 /nfs/dbraw/zinc/00/45/18/176004518.db2.gz NBZORSBUNMWNOG-MRVPVSSYSA-N 0 0 227.691 2.196 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)NC(C)(C)C ZINC000000405630 176005660 /nfs/dbraw/zinc/00/56/60/176005660.db2.gz DNUPZEXKGDVXHW-SNVBAGLBSA-N 0 0 221.300 2.369 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccon1 ZINC000012380965 176005672 /nfs/dbraw/zinc/00/56/72/176005672.db2.gz PNJUZKLCJXJISV-SECBINFHSA-N 0 0 232.239 2.081 50 0 BEAARN C[C@@H](SC1CCCC1)C(=O)N(C)C ZINC000041391455 176007626 /nfs/dbraw/zinc/00/76/26/176007626.db2.gz QTTQJIOAWVYRRI-MRVPVSSYSA-N 0 0 201.335 2.139 50 0 BEAARN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccon1 ZINC000095429842 176018457 /nfs/dbraw/zinc/01/84/57/176018457.db2.gz LXCVPFDGDPAYCO-VIFPVBQESA-N 0 0 246.266 2.213 50 0 BEAARN C[C@@H]1C(=O)CCN(C)[C@H]1c1ccccc1 ZINC000054957083 176041968 /nfs/dbraw/zinc/04/19/68/176041968.db2.gz STSXXDYXEZFGJE-ZWNOBZJWSA-N 0 0 203.285 2.268 50 0 BEAARN C[C@@H]1CCCCN1C(=O)c1ccccc1N ZINC000000128827 176069140 /nfs/dbraw/zinc/06/91/40/176069140.db2.gz OGPFNQSIZKVIEQ-SNVBAGLBSA-N 0 0 218.300 2.283 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cnn(C)c1 ZINC000032537880 176079011 /nfs/dbraw/zinc/07/90/11/176079011.db2.gz KZHNUUCEZWRKEN-HOVLTTNMSA-N 0 0 247.342 2.128 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccn1 ZINC000032841325 176080076 /nfs/dbraw/zinc/08/00/76/176080076.db2.gz QMXQHIZLRAGABF-YPMHNXCESA-N 0 0 247.342 2.460 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1 ZINC000006436263 176087528 /nfs/dbraw/zinc/08/75/28/176087528.db2.gz DJHZNCXSQOFNIK-GHMZBOCLSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000006498347 176095856 /nfs/dbraw/zinc/09/58/56/176095856.db2.gz WHNIMAHOWZCQFM-SNVBAGLBSA-N 0 0 243.310 2.435 50 0 BEAARN C[C@@H]1CCCc2sc3[nH]cnc(=NN)c3c21 ZINC000000510483 176154134 /nfs/dbraw/zinc/15/41/34/176154134.db2.gz MVMJMLMQRVFYHB-ZCFIWIBFSA-N 0 0 234.328 2.417 50 0 BEAARN C[C@@H]1CCN(C(=O)c2ccco2)CC1(F)F ZINC000336418685 176164713 /nfs/dbraw/zinc/16/47/13/176164713.db2.gz YACVHQMIUXHTBD-MRVPVSSYSA-N 0 0 229.226 2.397 50 0 BEAARN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000218956205 176173692 /nfs/dbraw/zinc/17/36/92/176173692.db2.gz BBHRTIFJOOBMSJ-RNCFNFMXSA-N 0 0 241.281 2.168 50 0 BEAARN C[C@@H]1CN(C(=O)C2CC2)c2ccccc2NC1=O ZINC000021793328 176243916 /nfs/dbraw/zinc/24/39/16/176243916.db2.gz BBKBJRKGSIWUCI-SECBINFHSA-N 0 0 244.294 2.018 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2ccccc2)CCC1=O ZINC000168839308 176253202 /nfs/dbraw/zinc/25/32/02/176253202.db2.gz IJPVTQWCJIOJQS-SNVBAGLBSA-N 0 0 232.283 2.129 50 0 BEAARN C[C@@H]1CN(Cc2cncc(F)c2)CCS1 ZINC000274875062 176310840 /nfs/dbraw/zinc/31/08/40/176310840.db2.gz UPRZSOIRCNUIMX-SECBINFHSA-N 0 0 226.320 2.158 50 0 BEAARN C[C@@H]1CN=C(Nc2ccc(O)cc2)S1 ZINC000005739138 176324596 /nfs/dbraw/zinc/32/45/96/176324596.db2.gz QDXRVULQUCTVRI-SSDOTTSWSA-N 0 0 208.286 2.295 50 0 BEAARN C[C@@H]1COCCN1C/C=C/c1ccccc1 ZINC000069417843 176335016 /nfs/dbraw/zinc/33/50/16/176335016.db2.gz HBMOHTCBAWZCAC-OQHXTRMZSA-N 0 0 217.312 2.421 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccn2)C1 ZINC000033023829 176360972 /nfs/dbraw/zinc/36/09/72/176360972.db2.gz PYDPTAHAJJXXDA-GHMZBOCLSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(Cc2nc(C3CC3)no2)C1 ZINC000043999584 176361811 /nfs/dbraw/zinc/36/18/11/176361811.db2.gz JCOZVKDSLFHXNN-NXEZZACHSA-N 0 0 235.331 2.425 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000013327460 176386102 /nfs/dbraw/zinc/38/61/02/176386102.db2.gz NQAWCQGNPRMSIH-KCJUWKMLSA-N 0 0 207.248 2.098 50 0 BEAARN C[C@@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1 ZINC000039042979 176427033 /nfs/dbraw/zinc/42/70/33/176427033.db2.gz LGJNBRYQEIZFMK-DGCLKSJQSA-N 0 0 249.310 2.168 50 0 BEAARN C[C@@H]1S[C@H](c2ccc(F)cc2)NC1=O ZINC000000128943 176489771 /nfs/dbraw/zinc/48/97/71/176489771.db2.gz GIWCGQHJMAJOSI-QUBYGPBYSA-N 0 0 211.261 2.076 50 0 BEAARN C[C@H](CNc1ccccn1)CC1(C)OCCO1 ZINC000084637156 176687332 /nfs/dbraw/zinc/68/73/32/176687332.db2.gz PVLKLSQOSBMMBF-NSHDSACASA-N 0 0 236.315 2.283 50 0 BEAARN C[C@H](NC(=O)Nc1nccs1)c1ccccn1 ZINC000042652263 176805826 /nfs/dbraw/zinc/80/58/26/176805826.db2.gz RPLJAMFXYGJZJP-QMMMGPOBSA-N 0 0 248.311 2.421 50 0 BEAARN C[C@H](NC(=O)OCC(F)(F)F)C1CC1 ZINC000082416869 176806116 /nfs/dbraw/zinc/80/61/16/176806116.db2.gz QPSHGEXFPAVWAS-YFKPBYRVSA-N 0 0 211.183 2.073 50 0 BEAARN C[C@H](Nc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000055420994 176933651 /nfs/dbraw/zinc/93/36/51/176933651.db2.gz RQEOVEDAIQGRRH-JTQLQIEISA-N 0 0 236.290 2.249 50 0 BEAARN C[C@H](O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000001627128 177002334 /nfs/dbraw/zinc/00/23/34/177002334.db2.gz VENFBZQYBFCNLS-VKHMYHEASA-N 0 0 226.144 2.305 50 0 BEAARN C[C@H](O)c1c(F)cccc1-n1cccn1 ZINC000035631794 177015544 /nfs/dbraw/zinc/01/55/44/177015544.db2.gz PZSHMJVSVZTRKT-QMMMGPOBSA-N 0 0 206.220 2.065 50 0 BEAARN C[C@H](O)c1ccc(I)cc1 ZINC000012506402 177017334 /nfs/dbraw/zinc/01/73/34/177017334.db2.gz KWUDBZIJCVKUHM-LURJTMIESA-N 0 0 248.063 2.345 50 0 BEAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000049890866 177022414 /nfs/dbraw/zinc/02/24/14/177022414.db2.gz LCUFKBIHAOCTGE-JTQLQIEISA-N 0 0 237.274 2.215 50 0 BEAARN C[C@H](Oc1cccc(OC2CCCC2)c1)C(N)=O ZINC000097114994 177023997 /nfs/dbraw/zinc/02/39/97/177023997.db2.gz HNTYFNKXOIQJSB-JTQLQIEISA-N 0 0 249.310 2.261 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)N1CCCC1 ZINC000000450286 177024046 /nfs/dbraw/zinc/02/40/46/177024046.db2.gz VUGOWPHZBXHQOZ-NSHDSACASA-N 0 0 219.284 2.076 50 0 BEAARN C[C@H](S[C@@H](C)c1cnccn1)c1nncn1C ZINC000289436972 177028773 /nfs/dbraw/zinc/02/87/73/177028773.db2.gz RTJBYQAAVXPUQB-IUCAKERBSA-N 0 0 249.343 2.161 50 0 BEAARN C[C@H](Sc1ccccn1)C(=O)N1CCCC1 ZINC000032666598 177028945 /nfs/dbraw/zinc/02/89/45/177028945.db2.gz IBBDGDGBFMRYJA-JTQLQIEISA-N 0 0 236.340 2.185 50 0 BEAARN C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789714 177036934 /nfs/dbraw/zinc/03/69/34/177036934.db2.gz RFSIJWITGRWYTL-KOLCDFICSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H](c1ccncc1)N(C)Cc1ccc(CO)o1 ZINC000183709713 177050362 /nfs/dbraw/zinc/05/03/62/177050362.db2.gz USMVJVSPQLKJEC-LLVKDONJSA-N 0 0 246.310 2.360 50 0 BEAARN C[C@H](c1csnn1)N1CCC[C@](C)(F)C1 ZINC000336267605 177051986 /nfs/dbraw/zinc/05/19/86/177051986.db2.gz ZOCPQIKWHWKRMC-SCZZXKLOSA-N 0 0 229.324 2.423 50 0 BEAARN C[C@@H]1CC(=O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000072206949 177061827 /nfs/dbraw/zinc/06/18/27/177061827.db2.gz ADBYGASBXODWTQ-DTORHVGOSA-N 0 0 227.304 2.363 50 0 BEAARN C[C@H]1CC(=O)Nc2cc(Cl)ccc2O1 ZINC000000161132 177062943 /nfs/dbraw/zinc/06/29/43/177062943.db2.gz ISEWHYODXFJCHV-LURJTMIESA-N 0 0 211.648 2.450 50 0 BEAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C1CC1 ZINC000005854126 177062987 /nfs/dbraw/zinc/06/29/87/177062987.db2.gz RTSIQJJFQYKWGG-VIFPVBQESA-N 0 0 244.294 2.160 50 0 BEAARN C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 ZINC000046125180 177072393 /nfs/dbraw/zinc/07/23/93/177072393.db2.gz LSPJAKHEBSBMQL-RYUDHWBXSA-N 0 0 225.332 2.347 50 0 BEAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C=O)[nH]1 ZINC000170653480 177080715 /nfs/dbraw/zinc/08/07/15/177080715.db2.gz KERVMWIDMSTHDI-GWCFXTLKSA-N 0 0 248.326 2.478 50 0 BEAARN C[C@H]1CCCN(C(=O)CCc2cccnc2)C1 ZINC000032747706 177092093 /nfs/dbraw/zinc/09/20/93/177092093.db2.gz PHWRIRSFUDHUIO-LBPRGKRZSA-N 0 0 232.327 2.273 50 0 BEAARN C[C@H]1CCCN(C(=O)c2ncncc2Cl)C1 ZINC000075104641 177096903 /nfs/dbraw/zinc/09/69/03/177096903.db2.gz OPNCIDXDUBSPSQ-QMMMGPOBSA-N 0 0 239.706 2.002 50 0 BEAARN C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)OCO2 ZINC000071856464 177125990 /nfs/dbraw/zinc/12/59/90/177125990.db2.gz GGRWGASDGBEPAU-ONGXEEELSA-N 0 0 247.294 2.334 50 0 BEAARN C[C@H]1CCC[C@H](NC(=O)Nc2nncs2)C1 ZINC000043127801 177136478 /nfs/dbraw/zinc/13/64/78/177136478.db2.gz BMKWCXUXPXKODD-YUMQZZPRSA-N 0 0 240.332 2.238 50 0 BEAARN C[C@H]1CCN(C(=O)C2CC=CC2)CC1(F)F ZINC000336531123 177146090 /nfs/dbraw/zinc/14/60/90/177146090.db2.gz IKOZEVBWLBKHSU-VIFPVBQESA-N 0 0 229.270 2.456 50 0 BEAARN C[C@H]1CN(C(=O)NCc2ccoc2)CC[C@@H]1C ZINC000179304704 177150636 /nfs/dbraw/zinc/15/06/36/177150636.db2.gz KPWCPHNQQPMQQA-QWRGUYRKSA-N 0 0 236.315 2.467 50 0 BEAARN C[C@H]1CC[C@H](COC(=O)c2ccoc2)O1 ZINC000095446123 177203062 /nfs/dbraw/zinc/20/30/62/177203062.db2.gz FBKKYUZIFOVWBS-WCBMZHEXSA-N 0 0 210.229 2.004 50 0 BEAARN C[C@@H]1CN(C(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000012341551 177220655 /nfs/dbraw/zinc/22/06/55/177220655.db2.gz LFHHDZKHOKRJTJ-TXEJJXNPSA-N 0 0 248.326 2.005 50 0 BEAARN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1=O ZINC000068592690 177266393 /nfs/dbraw/zinc/26/63/93/177266393.db2.gz KUUYMZATYJQLLZ-RYUDHWBXSA-N 0 0 217.312 2.344 50 0 BEAARN C[C@H]1CN(Cc2cccs2)C[C@H](C)O1 ZINC000023114832 177267881 /nfs/dbraw/zinc/26/78/81/177267881.db2.gz YXVFKFIMGUYAFF-UWVGGRQHSA-N 0 0 211.330 2.357 50 0 BEAARN C[C@H]1CN(c2nc3ccccc3n2C)C[C@H](C)O1 ZINC000033863905 177277888 /nfs/dbraw/zinc/27/78/88/177277888.db2.gz JRZHYBYMOSOUES-QWRGUYRKSA-N 0 0 245.326 2.187 50 0 BEAARN C[C@H]1CNc2ncc(Br)cc2C1 ZINC000038478018 177287008 /nfs/dbraw/zinc/28/70/08/177287008.db2.gz WFNARPRWIPKUJB-ZCFIWIBFSA-N 0 0 227.105 2.448 50 0 BEAARN C[C@H]1COCCN1C/C=C/c1ccccc1 ZINC000069417845 177291618 /nfs/dbraw/zinc/29/16/18/177291618.db2.gz HBMOHTCBAWZCAC-LJLILKBBSA-N 0 0 217.312 2.421 50 0 BEAARN C[C@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 ZINC000097235823 177308918 /nfs/dbraw/zinc/30/89/18/177308918.db2.gz RXOBDRVVAUZKKE-WDEREUQCSA-N 0 0 249.358 2.488 50 0 BEAARN C[C@H]1C[C@@H](C(=O)OC2(C)CCC2)CCC1=O ZINC000095461539 177309766 /nfs/dbraw/zinc/30/97/66/177309766.db2.gz KZHQJEHEUQINIJ-UWVGGRQHSA-N 0 0 224.300 2.478 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000032975421 177340027 /nfs/dbraw/zinc/34/00/27/177340027.db2.gz UPIKJVYTQDOKCW-GWCFXTLKSA-N 0 0 215.296 2.227 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2n1C ZINC000097377806 177340667 /nfs/dbraw/zinc/34/06/67/177340667.db2.gz VHVNIXDJXNEZLR-UWVGGRQHSA-N 0 0 243.310 2.192 50 0 BEAARN C[C@H]1C[C@H](Nc2ncccc2F)CCO1 ZINC000220115149 177372392 /nfs/dbraw/zinc/37/23/92/177372392.db2.gz NRWMCLFLTUTRAO-DTWKUNHWSA-N 0 0 210.252 2.200 50 0 BEAARN C[C@H]1Cn2c(nnc2C(=O)c2ccccc2)S1 ZINC000000109402 177392272 /nfs/dbraw/zinc/39/22/72/177392272.db2.gz NCUAZNBOULEUMH-QMMMGPOBSA-N 0 0 245.307 2.003 50 0 BEAARN C[C@@H]1[C@H](C)[C@@]2(C)[C@@]3(C)C(=O)N[C@]1(C)[C@]32C ZINC000257346598 177418584 /nfs/dbraw/zinc/41/85/84/177418584.db2.gz VLAQZFRGUKAXMA-VNRLQFKDSA-N 0 0 207.317 2.193 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CCOC2(CCCC2)C1 ZINC000098020497 177521575 /nfs/dbraw/zinc/52/15/75/177521575.db2.gz CZPAKIPLEAFPHY-UHFFFAOYSA-N 0 0 248.326 2.108 50 0 BEAARN Cc1n[nH]cc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087782136 177543330 /nfs/dbraw/zinc/54/33/30/177543330.db2.gz PXLOMUMDRSEITK-JQWIXIFHSA-N 0 0 233.315 2.123 50 0 BEAARN Cc1c(Cl)c(Cl)nc(Cl)c1C(N)=O ZINC000000053824 177596804 /nfs/dbraw/zinc/59/68/04/177596804.db2.gz MOFXYRPTBWRBBG-UHFFFAOYSA-N 0 0 239.489 2.449 50 0 BEAARN Cc1c(N)cccc1NC(=O)c1ccco1 ZINC000013957553 177614126 /nfs/dbraw/zinc/61/41/26/177614126.db2.gz QSUQHAJJMFMPOJ-UHFFFAOYSA-N 0 0 216.240 2.423 50 0 BEAARN Cc1c(N)cnn1-c1ccc(F)cc1F ZINC000048218388 177615095 /nfs/dbraw/zinc/61/50/95/177615095.db2.gz IGNIUFNYRJIEEA-UHFFFAOYSA-N 0 0 209.199 2.041 50 0 BEAARN Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)s1 ZINC000032865171 487662274 /nfs/dbraw/zinc/66/22/74/487662274.db2.gz FUFYMAWEXNDWQW-MRVPVSSYSA-N 0 0 239.340 2.226 50 0 BEAARN Cn1cc(C(=O)NC2CCCC2)c2cccnc21 ZINC000065216493 487764121 /nfs/dbraw/zinc/76/41/21/487764121.db2.gz XNBGSOMNFGZXLE-UHFFFAOYSA-N 0 0 243.310 2.246 50 0 BEAARN COC(=O)c1ccc2c(c1)ncn2C(C)C ZINC000076208663 487834080 /nfs/dbraw/zinc/83/40/80/487834080.db2.gz MOCCMMKHGSOLRH-UHFFFAOYSA-N 0 0 218.256 2.404 50 0 BEAARN Cc1cc(Cn2ccnn2)c2ccccc2n1 ZINC000128031607 322961246 /nfs/dbraw/zinc/96/12/46/322961246.db2.gz KEPRPCURCLOCQO-UHFFFAOYSA-N 0 0 224.267 2.183 50 0 BEAARN CNC(=O)Nc1ccccc1N1CCCC1 ZINC000048475123 487919241 /nfs/dbraw/zinc/91/92/41/487919241.db2.gz NKYAVDWYKPEBOA-UHFFFAOYSA-N 0 0 219.288 2.038 50 0 BEAARN C[N@H+](CC(N)=O)C1CCC(c2ccccc2)CC1 ZINC000049001455 487937870 /nfs/dbraw/zinc/93/78/70/487937870.db2.gz PIVVWRADWGNGJT-UHFFFAOYSA-N 0 0 246.354 2.130 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000049122886 487943138 /nfs/dbraw/zinc/94/31/38/487943138.db2.gz UYJAWTNWITUSQU-SCZZXKLOSA-N 0 0 233.315 2.369 50 0 BEAARN CN(C(=O)C1CC1)c1cc(F)ccc1F ZINC000161854336 323076470 /nfs/dbraw/zinc/07/64/70/323076470.db2.gz LKUNVJUKYSQSKE-UHFFFAOYSA-N 0 0 211.211 2.338 50 0 BEAARN CCC[C@@H](NC(=O)c1ccoc1)c1nccn1C ZINC000534656078 323157854 /nfs/dbraw/zinc/15/78/54/323157854.db2.gz UZCDAEDPOAVYPU-LLVKDONJSA-N 0 0 247.298 2.284 50 0 BEAARN O=c1c2ccc[nH]c-2nn1-c1ccccc1 ZINC000012415260 323235870 /nfs/dbraw/zinc/23/58/70/323235870.db2.gz NPBRRPCZQSRUFE-UHFFFAOYSA-N 0 0 211.224 2.126 50 0 BEAARN O[C@H]1CCC23C=CCC2(CC=C3)CC[C@@H]1O ZINC000043198698 323236782 /nfs/dbraw/zinc/23/67/82/323236782.db2.gz UVKDTDKUCFDDHB-FEPKRQSRSA-N 0 0 220.312 2.175 50 0 BEAARN NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000077632513 323302853 /nfs/dbraw/zinc/30/28/53/323302853.db2.gz YSEGTFIIMDFOSD-SNVBAGLBSA-N 0 0 208.236 2.041 50 0 BEAARN FC(F)(F)c1nc(Br)c[nH]1 ZINC000032250397 323664177 /nfs/dbraw/zinc/66/41/77/323664177.db2.gz GEOYWMVJTKVTAT-UHFFFAOYSA-N 0 0 214.972 2.191 50 0 BEAARN CC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000069463189 324949263 /nfs/dbraw/zinc/94/92/63/324949263.db2.gz OMXIOAJKTUUBBI-CQSZACIVSA-N 0 0 226.279 2.307 50 0 BEAARN O=c1sc2ccccc2n1Cc1ccno1 ZINC000072674983 325164813 /nfs/dbraw/zinc/16/48/13/325164813.db2.gz JNUQWLCYYDDRCX-UHFFFAOYSA-N 0 0 232.264 2.099 50 0 BEAARN O=C(Cc1ccncc1)Nc1ccccc1F ZINC000074725173 325258522 /nfs/dbraw/zinc/25/85/22/325258522.db2.gz RRYQCVQVSUXFRS-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN CS(=O)(=O)N[C@@H]1CCCCc2ccccc21 ZINC000089486591 325665827 /nfs/dbraw/zinc/66/58/27/325665827.db2.gz JZKIXXFUPOYTAJ-GFCCVEGCSA-N 0 0 239.340 2.003 50 0 BEAARN O=C1NC2(CO1)CCC(C(F)(F)F)CC2 ZINC000083966005 487975870 /nfs/dbraw/zinc/97/58/70/487975870.db2.gz APPQCKIMLFTDQT-UHFFFAOYSA-N 0 0 223.194 2.218 50 0 BEAARN CN(CCC(F)(F)F)c1nc(C2CC2)no1 ZINC000091458716 488053704 /nfs/dbraw/zinc/05/37/04/488053704.db2.gz FTNMZGITIWAEMT-UHFFFAOYSA-N 0 0 235.209 2.336 50 0 BEAARN CCOC(=O)c1ccc(Cn2ccnc2CC)o1 ZINC000091602033 488056394 /nfs/dbraw/zinc/05/63/94/488056394.db2.gz JGTKLQANDNKKID-UHFFFAOYSA-N 0 0 248.282 2.264 50 0 BEAARN C[C@@H](O)c1cccc(OCc2ccon2)c1 ZINC000084656275 488077514 /nfs/dbraw/zinc/07/75/14/488077514.db2.gz CSETXJQBFGTTSF-SECBINFHSA-N 0 0 219.240 2.307 50 0 BEAARN C[C@@H]1C[C@H]1c1ccc(CNC(=O)C2CC2)o1 ZINC000084688996 488081421 /nfs/dbraw/zinc/08/14/21/488081421.db2.gz IQMZEYDKCVLGQZ-LDYMZIIASA-N 0 0 219.284 2.429 50 0 BEAARN CC(=O)c1ccc(NCC[C@H]2CCOC2)nc1 ZINC000680071936 487531644 /nfs/dbraw/zinc/53/16/44/487531644.db2.gz DJCWZEQRPNIDMG-NSHDSACASA-N 0 0 234.299 2.123 50 0 BEAARN Cc1ccc(OC2CN(CCC(C)(C)O)C2)cc1 ZINC000670472256 487531679 /nfs/dbraw/zinc/53/16/79/487531679.db2.gz TVCJNSVKLNNEKC-UHFFFAOYSA-N 0 0 249.354 2.219 50 0 BEAARN CCn1ncnc1[C@@H](c1cccc(C)c1)N(C)C ZINC000670445277 487493239 /nfs/dbraw/zinc/49/32/39/487493239.db2.gz GUGUTZQNMKGTMN-CYBMUJFWSA-N 0 0 244.342 2.257 50 0 BEAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000005900587 487521934 /nfs/dbraw/zinc/52/19/34/487521934.db2.gz UWDFEVOJJPJGLF-GFCCVEGCSA-N 0 0 233.267 2.007 50 0 BEAARN S=c1cc(-c2ccccc2)nc2[nH]cnn21 ZINC000108803884 487842313 /nfs/dbraw/zinc/84/23/13/487842313.db2.gz FUBSSZMTDXMLIA-UHFFFAOYSA-N 0 0 228.280 2.454 50 0 BEAARN O=C(c1ccccc1NCCO)C1CCCC1 ZINC000085278249 488155754 /nfs/dbraw/zinc/15/57/54/488155754.db2.gz HKXOLSYYSIPPLF-UHFFFAOYSA-N 0 0 233.311 2.464 50 0 BEAARN Cc1ccc(N[C@H]2CCN(C(C)C)N2C=O)cc1 ZINC000059391219 488170251 /nfs/dbraw/zinc/17/02/51/488170251.db2.gz KMCFDQGJZVHGMR-CQSZACIVSA-N 0 0 247.342 2.221 50 0 BEAARN C[C@@H]1C[C@H](O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000167585168 488179929 /nfs/dbraw/zinc/17/99/29/488179929.db2.gz RNQIRWQBYRTJPG-MYJAWHEDSA-N 0 0 229.320 2.155 50 0 BEAARN Cn1ccnc1-c1ccc(-c2nccn2C)cc1 ZINC000000807830 490039968 /nfs/dbraw/zinc/03/99/68/490039968.db2.gz GUCKHUJQQHTHCC-UHFFFAOYSA-N 0 0 238.294 2.488 50 0 BEAARN CN1C(=O)C2(CCCC2)N[C@H]1c1ccc(F)cc1 ZINC000069623492 490177153 /nfs/dbraw/zinc/17/71/53/490177153.db2.gz HLZQFQJIPICPJS-GFCCVEGCSA-N 0 0 248.301 2.199 50 0 BEAARN Cc1ccc(-c2ccc(C(N)=O)nc2)cc1 ZINC000071787942 490278099 /nfs/dbraw/zinc/27/80/99/490278099.db2.gz GVDPCCKPSYFZMT-UHFFFAOYSA-N 0 0 212.252 2.156 50 0 BEAARN CC(C)NC(=O)CSCCc1ccccc1 ZINC000040018151 519709311 /nfs/dbraw/zinc/70/93/11/519709311.db2.gz FICGJDFPMOSGNO-UHFFFAOYSA-N 0 0 237.368 2.487 50 0 BEAARN CCN(Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000046058943 491079711 /nfs/dbraw/zinc/07/97/11/491079711.db2.gz QXGAELPGCRLAGZ-UHFFFAOYSA-N 0 0 223.320 2.351 50 0 BEAARN CCOc1ccc(CNC(=O)C(C)C)cc1 ZINC000072141659 491122497 /nfs/dbraw/zinc/12/24/97/491122497.db2.gz LEZWWFMZPJVMKE-UHFFFAOYSA-N 0 0 221.300 2.358 50 0 BEAARN CC(C)C[C@H]1NC(=O)N(c2ccccc2)C1=O ZINC000000036421 491125620 /nfs/dbraw/zinc/12/56/20/491125620.db2.gz YEMHYRVDNYBATH-LLVKDONJSA-N 0 0 232.283 2.158 50 0 BEAARN CCC(=O)NC[C@H](CO)CC1CCCCC1 ZINC000195580163 521169892 /nfs/dbraw/zinc/16/98/92/521169892.db2.gz RXPFXCXHGNORLV-GFCCVEGCSA-N 0 0 227.348 2.092 50 0 BEAARN CC(C)(C)Nc1nc(Cl)nc(NC2CC2)n1 ZINC000002530784 518775524 /nfs/dbraw/zinc/77/55/24/518775524.db2.gz FHDFJPIRJCWFNA-UHFFFAOYSA-N 0 0 241.726 2.310 50 0 in-vitro BEAARN CC(C)(C)[C@H]1C[C@@H]2C[C@H](CO)C[C@H](C1)[C@@H]2O ZINC000253623370 518981096 /nfs/dbraw/zinc/98/10/96/518981096.db2.gz LOIWTPLUDGDWQK-HALBRFILSA-N 0 0 226.360 2.438 50 0 BEAARN CC/C=C/COC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000071859288 520201793 /nfs/dbraw/zinc/20/17/93/520201793.db2.gz XIZCHDVRYIZLJD-GKUNOOHESA-N 0 0 234.299 2.033 50 0 BEAARN CC1(C)COCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245339440 520502433 /nfs/dbraw/zinc/50/24/33/520502433.db2.gz SUYLLFBMQOUJEQ-GDNZZTSVSA-N 0 0 237.343 2.060 50 0 BEAARN CCCC[C@@H](CC)C(=O)NCc1nc(C)no1 ZINC000069893209 521020476 /nfs/dbraw/zinc/02/04/76/521020476.db2.gz ANQQGOGNAOHTKX-SNVBAGLBSA-N 0 0 239.319 2.211 50 0 BEAARN CCC[C@H](C)c1cn(CCn2cccn2)nn1 ZINC000091486659 521071830 /nfs/dbraw/zinc/07/18/30/521071830.db2.gz KMLZGGWQDKJRSD-NSHDSACASA-N 0 0 233.319 2.078 50 0 BEAARN CCC(=O)NC[C@@H](CO)CC1CCCCC1 ZINC000195580162 521171002 /nfs/dbraw/zinc/17/10/02/521171002.db2.gz RXPFXCXHGNORLV-LBPRGKRZSA-N 0 0 227.348 2.092 50 0 BEAARN CCCC[C@H](CC)CNC(=O)[C@H]1CCOC1 ZINC000069311136 521178756 /nfs/dbraw/zinc/17/87/56/521178756.db2.gz MHBDSUNABQRGHC-RYUDHWBXSA-N 0 0 227.348 2.356 50 0 BEAARN CCOCCC(=O)NC[C@H](C)c1ccsc1 ZINC000073371031 521675431 /nfs/dbraw/zinc/67/54/31/521675431.db2.gz XYIPQIYZXCPPAO-JTQLQIEISA-N 0 0 241.356 2.394 50 0 BEAARN COC(=O)c1ccc2c(c1)OC(C)(C)CN2 ZINC000084781832 522181689 /nfs/dbraw/zinc/18/16/89/522181689.db2.gz CQVYLHAJQFXTSK-UHFFFAOYSA-N 0 0 221.256 2.056 50 0 BEAARN CCc1nc(C)cc(NCC(O)(CC)CC)n1 ZINC000225797229 522238136 /nfs/dbraw/zinc/23/81/36/522238136.db2.gz MUFDEEGHZNCLSG-UHFFFAOYSA-N 0 0 237.347 2.310 50 0 BEAARN CC[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ncc[nH]1 ZINC000253370635 522518630 /nfs/dbraw/zinc/51/86/30/522518630.db2.gz UCUGKUCVICQYKQ-ZRUFSTJUSA-N 0 0 233.315 2.023 50 0 BEAARN CC[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ncc[nH]1 ZINC000253370634 522772601 /nfs/dbraw/zinc/77/26/01/522772601.db2.gz UCUGKUCVICQYKQ-YTWAJWBKSA-N 0 0 233.315 2.023 50 0 BEAARN CN(Cc1ccco1)C(=O)CC[C@@H]1CCCO1 ZINC000040510388 523425400 /nfs/dbraw/zinc/42/54/00/523425400.db2.gz KIQDLSJUZPVWKF-NSHDSACASA-N 0 0 237.299 2.197 50 0 BEAARN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000249034184 523810056 /nfs/dbraw/zinc/81/00/56/523810056.db2.gz WRPVWLVVAPYMEE-CHWSQXEVSA-N 0 0 248.326 2.036 50 0 BEAARN COCCNC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000229643920 523889190 /nfs/dbraw/zinc/88/91/90/523889190.db2.gz AVYPWRJOVBGKBG-PLLCSPFLSA-N 0 0 249.310 2.179 50 0 BEAARN C[C@@H](C(=O)NCCn1cccc1)c1cccs1 ZINC000075093081 524196599 /nfs/dbraw/zinc/19/65/99/524196599.db2.gz XTOGTLWIMWDOAO-LLVKDONJSA-N 0 0 248.351 2.470 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)CCOCc1ccccc1 ZINC000089920367 524948902 /nfs/dbraw/zinc/94/89/02/524948902.db2.gz HZJACYYELBSWER-GXTWGEPZSA-N 0 0 247.338 2.318 50 0 BEAARN Cc1c(Cl)cccc1C(=O)NCc1cc[nH]n1 ZINC000219832526 525755610 /nfs/dbraw/zinc/75/56/10/525755610.db2.gz LMDUYXLXWUXXNO-UHFFFAOYSA-N 0 0 249.701 2.302 50 0 BEAARN Cc1ccc(Br)c2c1NC(=O)C2 ZINC000084193880 525983959 /nfs/dbraw/zinc/98/39/59/525983959.db2.gz TULGNCBFDGDWAV-UHFFFAOYSA-N 0 0 226.073 2.252 50 0 BEAARN C[C@H](CC(=O)c1ccccc1)NC(=O)[C@@H]1C[C@H]1C ZINC000248163302 526254128 /nfs/dbraw/zinc/25/41/28/526254128.db2.gz MYYFCSUERNVDTI-NQBHXWOUSA-N 0 0 245.322 2.420 50 0 BEAARN O=C(C1CC1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000257178908 526287163 /nfs/dbraw/zinc/28/71/63/526287163.db2.gz HNXOAISZTSSDID-CYBMUJFWSA-N 0 0 231.295 2.076 50 0 BEAARN CN1CCOc2ccc(Br)cc21 ZINC000039019736 536446310 /nfs/dbraw/zinc/44/63/10/536446310.db2.gz FZYXJDPNHUFKLO-UHFFFAOYSA-N 0 0 228.089 2.278 50 0 BEAARN O=C(CCc1ccco1)NOCc1ccccc1 ZINC000025039049 526620796 /nfs/dbraw/zinc/62/07/96/526620796.db2.gz YHMPBFFJQDIHMB-UHFFFAOYSA-N 0 0 245.278 2.460 50 0 BEAARN O=C(NCc1ccco1)Nc1ccc(O)cc1 ZINC000243586217 526777066 /nfs/dbraw/zinc/77/70/66/526777066.db2.gz ORIKUZJXUDBAOA-UHFFFAOYSA-N 0 0 232.239 2.307 50 0 BEAARN O=C1Cc2c(c(Cl)ccc2Cl)N1 ZINC000084199210 527036595 /nfs/dbraw/zinc/03/65/95/527036595.db2.gz LVXWMUMMJRHVPF-UHFFFAOYSA-N 0 0 202.040 2.488 50 0 BEAARN Nc1ccc([S@](=O)c2ccccc2)cc1 ZINC000019928439 527505086 /nfs/dbraw/zinc/50/50/86/527505086.db2.gz GRRWNBJRFZQISJ-HNNXBMFYSA-N 0 0 217.293 2.436 50 0 BEAARN Cc1nn(C)cc1CNC(=O)CCC1CCCC1 ZINC000012009344 527692043 /nfs/dbraw/zinc/69/20/43/527692043.db2.gz WRZQNUXFLIAYDC-UHFFFAOYSA-N 0 0 249.358 2.315 50 0 BEAARN CCNc1ccc(-c2ccc(N(C)C)nc2)nn1 ZINC000302454206 528427912 /nfs/dbraw/zinc/42/79/12/528427912.db2.gz OUOFLQPVPKYSKN-UHFFFAOYSA-N 0 0 243.314 2.036 50 0 BEAARN CC(C)(C)c1nccc(N2CCOC(C)(C)C2)n1 ZINC000072307817 534920610 /nfs/dbraw/zinc/92/06/10/534920610.db2.gz WEPWRSZMPNTBRA-UHFFFAOYSA-N 0 0 249.358 2.389 50 0 BEAARN CC[C@]1(C)CN(c2cc(C)ccn2)CCO1 ZINC000276045294 535919140 /nfs/dbraw/zinc/91/91/40/535919140.db2.gz ODRMLUGEGVKEBY-CYBMUJFWSA-N 0 0 220.316 2.395 50 0 BEAARN CNC(=O)N(Cc1ccsc1)C1CC1 ZINC000065456305 582524552 /nfs/dbraw/zinc/52/45/52/582524552.db2.gz FCATWIUSCVCOEY-UHFFFAOYSA-N 0 0 210.302 2.052 50 0 BEAARN C[C@H]1CCCCCN1C(=O)C1=CCCCO1 ZINC000073679731 582642507 /nfs/dbraw/zinc/64/25/07/582642507.db2.gz QECYMMPXSFBYHH-NSHDSACASA-N 0 0 223.316 2.472 50 0 BEAARN C=CC(=O)NCC1(c2ccccc2F)CC1 ZINC000888102212 583182844 /nfs/dbraw/zinc/18/28/44/583182844.db2.gz PDCFEZNZROGNHX-UHFFFAOYSA-N 0 0 219.259 2.160 50 0 BEAARN C=CC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000848978980 588422883 /nfs/dbraw/zinc/42/28/83/588422883.db2.gz FZPSLKLWMVZIBG-LLVKDONJSA-N 0 0 205.232 2.115 50 0 BEAARN C=CC(=O)Nc1c2c(ccc1OC)CCC2 ZINC000863971030 589330296 /nfs/dbraw/zinc/33/02/96/589330296.db2.gz BSBQKQPOEHOIIP-UHFFFAOYSA-N 0 0 217.268 2.308 50 0 BEAARN C=CC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000863971262 589330377 /nfs/dbraw/zinc/33/03/77/589330377.db2.gz MCEFGQLVVCMVHN-QWHCGFSZSA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)Nc1nc2c(s1)CSCC2 ZINC000863971022 589330407 /nfs/dbraw/zinc/33/04/07/589330407.db2.gz BKLMOXAZGBKVKE-UHFFFAOYSA-N 0 0 226.326 2.057 50 0 BEAARN CC[C@H](SC)c1nc(Cc2cn[nH]c2)no1 ZINC000864096831 589344817 /nfs/dbraw/zinc/34/48/17/589344817.db2.gz JORDULLHPFKEFG-QMMMGPOBSA-N 0 0 238.316 2.198 50 0 BEAARN CC[C@H](C)Cc1nc(-c2ccc[nH]c2=O)no1 ZINC000874435282 590110430 /nfs/dbraw/zinc/11/04/30/590110430.db2.gz QMYZXUFTPQQFIB-QMMMGPOBSA-N 0 0 233.271 2.426 50 0 BEAARN C[C@@H](O)c1c(Cl)nc2sccn21 ZINC000071372301 592264955 /nfs/dbraw/zinc/26/49/55/592264955.db2.gz PNSGXXCGFMEHNT-SCSAIBSYSA-N 0 0 202.666 2.103 50 0 BEAARN COc1cccc(/C=C\CCn2cncn2)c1 ZINC000221919940 592463107 /nfs/dbraw/zinc/46/31/07/592463107.db2.gz JOGREXVXTZROJN-DJWKRKHSSA-N 0 0 229.283 2.390 50 0 BEAARN CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)[O-] ZINC000049354289 597066759 /nfs/dbraw/zinc/06/67/59/597066759.db2.gz JWIDPYZBSDOXSI-UWVGGRQHSA-N 0 0 237.299 2.209 50 0 BEAARN CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)[O-] ZINC000236733401 600851384 /nfs/dbraw/zinc/85/13/84/600851384.db2.gz BAKGPMFMMJCWHN-JTQLQIEISA-N 0 0 237.299 2.077 50 0 BEAARN CCCCNC(=S)NC(=O)c1cccs1 ZINC000002910427 634387429 /nfs/dbraw/zinc/38/74/29/634387429.db2.gz WYRUTSDKALTWLR-UHFFFAOYSA-N 0 0 242.369 2.153 50 0 BEAARN C=CC(=O)NCc1ccc(C2CC2)cc1 ZINC000888098415 635375384 /nfs/dbraw/zinc/37/53/84/635375384.db2.gz KOQVEALHLSAHIG-UHFFFAOYSA-N 0 0 201.269 2.366 50 0 BEAARN CCO[C@H](CC)C(=O)Nc1ccc(O)cc1F ZINC000097098044 631267483 /nfs/dbraw/zinc/26/74/83/631267483.db2.gz AZYXRFQZTNERGD-LLVKDONJSA-N 0 0 241.262 2.285 50 0 BEAARN C[C@H]1CN(c2ccccc2)C(=O)CS1 ZINC000000620760 635668392 /nfs/dbraw/zinc/66/83/92/635668392.db2.gz UYZQGWBTKHNUCL-VIFPVBQESA-N 0 0 207.298 2.155 50 0 BEAARN C[C@@H]1CN(c2ccccc2)C(=O)CS1 ZINC000000620762 635669585 /nfs/dbraw/zinc/66/95/85/635669585.db2.gz UYZQGWBTKHNUCL-SECBINFHSA-N 0 0 207.298 2.155 50 0 BEAARN O=c1ccnc(C=Cc2ccc(F)cc2F)[nH]1 ZINC000098052969 631683007 /nfs/dbraw/zinc/68/30/07/631683007.db2.gz VINARUFOTPEPQA-RQOWECAXSA-N 0 0 234.205 2.219 50 0 BEAARN COCCc1ccc(O)c(C(=O)C2CC2)c1 ZINC000052068518 632786626 /nfs/dbraw/zinc/78/66/26/632786626.db2.gz ZXFJPLVRPPDILE-UHFFFAOYSA-N 0 0 220.268 2.174 50 0 BEAARN C/C(=C\C(=O)Nc1cccnc1)C1CC1 ZINC000048667161 635884547 /nfs/dbraw/zinc/88/45/47/635884547.db2.gz UJMSPNJXNQVLKO-VQHVLOKHSA-N 0 0 202.257 2.376 50 0 BEAARN CC(=O)Nc1cccc(Cn2cc(C)cn2)c1 ZINC000098013758 633140228 /nfs/dbraw/zinc/14/02/28/633140228.db2.gz XSIVWYFIRDSOGY-UHFFFAOYSA-N 0 0 229.283 2.198 50 0 BEAARN CN(c1csc(=O)[nH]1)c1ccc(O)cc1 ZINC000005090843 635209970 /nfs/dbraw/zinc/20/99/70/635209970.db2.gz ILABXGBVATYVNJ-UHFFFAOYSA-N 0 0 222.269 2.094 50 0 BEAARN O=C(/C=C\c1cccs1)Nc1nncs1 ZINC000033490659 635354664 /nfs/dbraw/zinc/35/46/64/635354664.db2.gz HGXRCVYBSRAKOW-ARJAWSKDSA-N 0 0 237.309 2.252 50 0 BEAARN C=CC(=O)Nc1ccc2c(C)noc2c1 ZINC000888098626 635376852 /nfs/dbraw/zinc/37/68/52/635376852.db2.gz RBNYCOBULJNSOC-UHFFFAOYSA-N 0 0 202.213 2.261 50 0 BEAARN C/C=C(/C)C(=O)OCc1ccc(C)nc1 ZINC000095445053 636866840 /nfs/dbraw/zinc/86/68/40/636866840.db2.gz ILGZZLBULAFERQ-WTKPLQERSA-N 0 0 205.257 2.399 50 0 BEAARN CC(C)CC[C@@H](C)n1cnc2nccnc2c1=O ZINC000032500737 641334217 /nfs/dbraw/zinc/33/42/17/641334217.db2.gz SWSDUQOUBTVYNP-SNVBAGLBSA-N 0 0 246.314 2.184 50 0 BEAARN O=C(/C=C/c1ccccn1)NC(C1CC1)C1CC1 ZINC000049221084 641711888 /nfs/dbraw/zinc/71/18/88/641711888.db2.gz DTKVJSSUWHCFON-CMDGGOBGSA-N 0 0 242.322 2.400 50 0 BEAARN Cc1ccc(/C=C\C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000076015913 641787120 /nfs/dbraw/zinc/78/71/20/641787120.db2.gz PGNUEFAODSLBII-RHZMEEDWSA-N 0 0 249.310 2.285 50 0 BEAARN O=C(/C=C\c1ccco1)Nc1ccccn1 ZINC000033309463 642053445 /nfs/dbraw/zinc/05/34/45/642053445.db2.gz XOPHQUWQRVLDOP-SREVYHEPSA-N 0 0 214.224 2.327 50 0 BEAARN COc1ccc(-c2cccc(C(N)=O)c2)cc1 ZINC000000465182 642781023 /nfs/dbraw/zinc/78/10/23/642781023.db2.gz DRPZTLDBOFJVTI-UHFFFAOYSA-N 0 0 227.263 2.461 50 0 BEAARN C[C@H]1O[PH]2(O[C@H]1C)O[C@@H](C)[C@H](C)O2 ZINC000017859858 643023350 /nfs/dbraw/zinc/02/33/50/643023350.db2.gz USZIXCLPMCTBKB-DKXJUACHSA-N 0 0 208.194 2.044 50 0 BEAARN Clc1cccn2c1nnc2-c1ccccn1 ZINC000032587079 643220776 /nfs/dbraw/zinc/22/07/76/643220776.db2.gz FJIVTAGSPATYKE-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN CC[C@H]1Oc2cc(OC)cc(OC)c2C1=O ZINC000082759583 643377650 /nfs/dbraw/zinc/37/76/50/643377650.db2.gz LUIRBFOSNFMWBN-MRVPVSSYSA-N 0 0 222.240 2.058 50 0 BEAARN CCCC1(CCC)C(=N)N(C)C(=O)N(C)C1=O ZINC000022205384 643539897 /nfs/dbraw/zinc/53/98/97/643539897.db2.gz FHLIKVSGYORNMR-UHFFFAOYSA-N 0 0 239.319 2.074 50 0 BEAARN O=C([O-])[C@@H]1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000074148224 643652265 /nfs/dbraw/zinc/65/22/65/643652265.db2.gz ODFLYTQSBJFZEJ-GHMZBOCLSA-N 0 0 211.305 2.020 50 0 BEAARN Fc1cc(N2CC[C@@H](c3ccccn3)C2)ncn1 ZINC000952994761 643788920 /nfs/dbraw/zinc/78/89/20/643788920.db2.gz LMULMXHWGGKDRG-SNVBAGLBSA-N 0 0 244.273 2.005 50 0 BEAARN CO[C@@H]1CCC12CCN(C(=O)C1CCC1)CC2 ZINC000257178504 711697623 /nfs/dbraw/zinc/69/76/23/711697623.db2.gz GMNUAIQYLHGJCR-GFCCVEGCSA-N 0 0 237.343 2.204 50 0 BEAARN Fc1ccc2[nH]c([C@@H]3CCOC3)nc2c1 ZINC000082821788 711807921 /nfs/dbraw/zinc/80/79/21/711807921.db2.gz SUBLZOGBRVCZSQ-SSDOTTSWSA-N 0 0 206.220 2.206 50 0 BEAARN CN(CCCCO)C(=O)OCc1ccccc1 ZINC000200365090 1165955722 /nfs/dbraw/zinc/95/57/22/1165955722.db2.gz QGKLOOPAWNEWQM-UHFFFAOYSA-N 0 0 237.299 2.028 50 0 BEAARN O=Cc1cccc(C2(F)CCOCC2)c1 ZINC000107272112 1166577704 /nfs/dbraw/zinc/57/77/04/1166577704.db2.gz NBAPKIGZRUTKJB-UHFFFAOYSA-N 0 0 208.232 2.474 50 0 BEAARN Cc1cc(-c2ccc(N(C)C)cc2)nc(N)n1 ZINC000032565169 1167507019 /nfs/dbraw/zinc/50/70/19/1167507019.db2.gz KBZDAVHUKCVNEJ-UHFFFAOYSA-N 0 0 228.299 2.100 50 0 BEAARN CCCOC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000585114896 972142096 /nfs/dbraw/zinc/14/20/96/972142096.db2.gz DVBDDDVQWCQFBV-MRVPVSSYSA-N 0 0 240.303 2.359 50 0 BEAARN c1nc(-c2ccc(N3CCCC3)nc2)co1 ZINC000585120494 972151898 /nfs/dbraw/zinc/15/18/98/972151898.db2.gz QPVATLCJKMFNML-UHFFFAOYSA-N 0 0 215.256 2.337 50 0 BEAARN O=C(c1ccoc1C1CC1)N1CCn2ccnc21 ZINC000585122427 972153088 /nfs/dbraw/zinc/15/30/88/972153088.db2.gz DIPHFSCTEGZBRL-UHFFFAOYSA-N 0 0 243.266 2.014 50 0 BEAARN CC(C)(C)[C@@H]1CSCCN1C(=O)C(F)F ZINC000585124407 972154712 /nfs/dbraw/zinc/15/47/12/972154712.db2.gz BZLYSPMSBNOMOC-ZETCQYMHSA-N 0 0 237.315 2.242 50 0 BEAARN CSC[C@H](C)C(=O)Nc1cnn2ccccc12 ZINC000585131293 972167142 /nfs/dbraw/zinc/16/71/42/972167142.db2.gz QVWZLCLJIPOKHW-VIFPVBQESA-N 0 0 249.339 2.272 50 0 BEAARN CC(C)n1cc(NC(=O)[C@H](C)n2cccc2)cn1 ZINC000131988683 962354972 /nfs/dbraw/zinc/35/49/72/962354972.db2.gz RESOGFGGADRCKX-NSHDSACASA-N 0 0 246.314 2.465 50 0 BEAARN C[C@H](NC(=O)c1nccn1C)C1=CCCCC1 ZINC000820723380 968481335 /nfs/dbraw/zinc/48/13/35/968481335.db2.gz PJEIWFGIMNFPIZ-JTQLQIEISA-N 0 0 233.315 2.039 50 0 BEAARN CC(C)c1nc(CNC(=O)C[C@@H]2C=CCC2)no1 ZINC000827801686 968706593 /nfs/dbraw/zinc/70/65/93/968706593.db2.gz DFJFUUIXAQMSJB-SNVBAGLBSA-N 0 0 249.314 2.166 50 0 BEAARN O=C(N[C@H]1CCC12CCOCC2)c1ccccc1 ZINC000585409560 973911349 /nfs/dbraw/zinc/91/13/49/973911349.db2.gz PIEGJQODHMQKFU-ZDUSSCGKSA-N 0 0 245.322 2.376 50 0 BEAARN Cc1nc2ccccc2n1[C@@H]1CC[C@H]1O ZINC000585298979 973915915 /nfs/dbraw/zinc/91/59/15/973915915.db2.gz XNCQQVKPUUFWOW-VXGBXAGGSA-N 0 0 202.257 2.041 50 0 BEAARN Cc1cccnc1OC[C@H]1CCCOC1 ZINC000585654985 973924632 /nfs/dbraw/zinc/92/46/32/973924632.db2.gz POFZUZNNWFKRPT-NSHDSACASA-N 0 0 207.273 2.195 50 0 BEAARN C[C@@H](Oc1nc2cccnc2n1C)C1CC1 ZINC000585654855 973927248 /nfs/dbraw/zinc/92/72/48/973927248.db2.gz NEHAFLDGXKBISV-MRVPVSSYSA-N 0 0 217.272 2.146 50 0 BEAARN c1ccc2sc(O[C@H]3CCOC3)nc2c1 ZINC000585655193 973927609 /nfs/dbraw/zinc/92/76/09/973927609.db2.gz WJBVIEBXLMJGSW-QMMMGPOBSA-N 0 0 221.281 2.464 50 0 BEAARN CCCc1cc(CNCc2ccn(CC)n2)on1 ZINC000952861509 974048906 /nfs/dbraw/zinc/04/89/06/974048906.db2.gz HLYUTGUKTXWHCY-UHFFFAOYSA-N 0 0 248.330 2.133 50 0 BEAARN C=CC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000952884961 974050975 /nfs/dbraw/zinc/05/09/75/974050975.db2.gz WAPZMPNYSSCLSF-UHFFFAOYSA-N 0 0 215.296 2.492 50 0 BEAARN C=CC(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000952884952 974053210 /nfs/dbraw/zinc/05/32/10/974053210.db2.gz VIAADQWQCIXASI-CYBMUJFWSA-N 0 0 215.296 2.497 50 0 BEAARN Cc1ccnc2c(OCC[C@@H](C)O)ccnc12 ZINC000952880096 974059214 /nfs/dbraw/zinc/05/92/14/974059214.db2.gz BWNPXVJGYMXYEC-SNVBAGLBSA-N 0 0 232.283 2.088 50 0 BEAARN C=CC(=O)N1CC(Cc2ccccc2C)C1 ZINC000952887820 974065774 /nfs/dbraw/zinc/06/57/74/974065774.db2.gz AXRGZGSCHXWQNF-UHFFFAOYSA-N 0 0 215.296 2.182 50 0 BEAARN Cc1cc(C)n(C[C@](C)(O)c2ccccc2)n1 ZINC000005379328 980068780 /nfs/dbraw/zinc/06/87/80/980068780.db2.gz GJCWQUSGMYXYIH-AWEZNQCLSA-N 0 0 230.311 2.408 50 0 BEAARN C=CC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000691916518 984940114 /nfs/dbraw/zinc/94/01/14/984940114.db2.gz GLZXHQWNBCVWIS-LLVKDONJSA-N 0 0 223.316 2.171 50 0 BEAARN Cc1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000019595523 986324690 /nfs/dbraw/zinc/32/46/90/986324690.db2.gz CTHZYYUUFVRCFU-UHFFFAOYSA-N 0 0 249.354 2.486 50 0 BEAARN CCC1(CC)CN(c2nc(C)cnc2C)CCO1 ZINC001506398889 988770437 /nfs/dbraw/zinc/77/04/37/988770437.db2.gz GYQWUILJLGHJAR-UHFFFAOYSA-N 0 0 249.358 2.489 50 0 BEAARN Cc1nc(-c2cc(F)cc3cccnc32)nn1C ZINC001506401502 988771882 /nfs/dbraw/zinc/77/18/82/988771882.db2.gz FLQXADUFYAAURG-UHFFFAOYSA-N 0 0 242.257 2.478 50 0 BEAARN CCc1c(C)noc1NC(=O)[C@@]1(C)CCCO1 ZINC001506405908 988774260 /nfs/dbraw/zinc/77/42/60/988774260.db2.gz LYAYUODMJFUUAO-GFCCVEGCSA-N 0 0 238.287 2.053 50 0 BEAARN Cc1cnn(CC(C)C)c1NC(=O)c1cc[nH]c1 ZINC001506425886 988786076 /nfs/dbraw/zinc/78/60/76/988786076.db2.gz HXYMUQLTRDVOIP-UHFFFAOYSA-N 0 0 246.314 2.428 50 0 BEAARN CCCn1nc(C)cc1NC(=O)[C@@H](C)SC ZINC001529118698 990330576 /nfs/dbraw/zinc/33/05/76/990330576.db2.gz OHIFJLSNTXCIAZ-SECBINFHSA-N 0 0 241.360 2.292 50 0 BEAARN CCOc1ccc(O)cc1C(=O)N1CCCC1 ZINC001529592559 990356119 /nfs/dbraw/zinc/35/61/19/990356119.db2.gz IIAQJGRWHLKYIS-UHFFFAOYSA-N 0 0 235.283 2.027 50 0 BEAARN CCN(CC)C(=O)c1ccc(N)cc1C ZINC000044748007 1171412205 /nfs/dbraw/zinc/41/22/05/1171412205.db2.gz JGTMFNIOLBWLPM-UHFFFAOYSA-N 0 0 206.289 2.059 50 0 BEAARN O=C(CCCc1ccccc1)NC[C@H]1CCCO1 ZINC000002878619 136207685 /nfs/dbraw/zinc/20/76/85/136207685.db2.gz TYLOKPONSHZEHO-CQSZACIVSA-N 0 0 247.338 2.305 50 0 BEAARN CC(C)CNC(=O)CCNc1ccccc1 ZINC000058393751 398135856 /nfs/dbraw/zinc/13/58/56/398135856.db2.gz JALCEQSQENDHPM-UHFFFAOYSA-N 0 0 220.316 2.261 50 0 BEAARN CCC(C)(CC)NC(=O)c1ocnc1C ZINC000072310190 168310521 /nfs/dbraw/zinc/31/05/21/168310521.db2.gz QMIQFXIQYIGIIE-UHFFFAOYSA-N 0 0 210.277 2.292 50 0 BEAARN Cc1cc(C)n(CCO[C@H]2CCCCO2)n1 ZINC000192839178 177928451 /nfs/dbraw/zinc/92/84/51/177928451.db2.gz JFDAJTIBBRCYEN-LBPRGKRZSA-N 0 0 224.304 2.043 50 0 BEAARN Cc1cc(C)n(Cc2nc3ccccc3n2C)n1 ZINC000000319796 177931161 /nfs/dbraw/zinc/93/11/61/177931161.db2.gz WYQKDBQRCMHYMK-UHFFFAOYSA-N 0 0 240.310 2.435 50 0 BEAARN Cc1cc(C)n2c(nnc2-c2cccs2)n1 ZINC000038327542 177934321 /nfs/dbraw/zinc/93/43/21/177934321.db2.gz HTNJHRWPXYVIIP-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN Cc1cc(C)nc(N2CCCCCC2)n1 ZINC000097008928 177936643 /nfs/dbraw/zinc/93/66/43/177936643.db2.gz PWPBCNMPLVSLGD-UHFFFAOYSA-N 0 0 205.305 2.474 50 0 BEAARN CCC(CC)(CC)NC(=O)[C@H]1CCOC1 ZINC000170638879 168317066 /nfs/dbraw/zinc/31/70/66/168317066.db2.gz BSNFJWLXNNTZBI-JTQLQIEISA-N 0 0 213.321 2.108 50 0 BEAARN Cc1cc(C)nc(Oc2cccc(N)c2)n1 ZINC000011849360 177947787 /nfs/dbraw/zinc/94/77/87/177947787.db2.gz ATPIVQGMGOXAFX-UHFFFAOYSA-N 0 0 215.256 2.468 50 0 BEAARN COC(=O)c1cc(Br)oc1C ZINC000034579084 490106095 /nfs/dbraw/zinc/10/60/95/490106095.db2.gz HQEFZABRNVWGBR-UHFFFAOYSA-N 0 0 219.034 2.137 50 0 BEAARN C[C@H]1C[C@H](C)C(=O)N(c2ccccc2)C1=O ZINC000002187253 132458432 /nfs/dbraw/zinc/45/84/32/132458432.db2.gz MOBMIENCLDTUDW-UWVGGRQHSA-N 0 0 217.268 2.222 50 0 BEAARN Cc1ncoc1C(=O)N[C@@H](C)C(C)(C)C ZINC000072310159 343979250 /nfs/dbraw/zinc/97/92/50/343979250.db2.gz GRDNAFLPNQUMHM-QMMMGPOBSA-N 0 0 210.277 2.147 50 0 BEAARN CCC(CC)C(=O)N(C)c1ccccn1 ZINC000134545687 168334151 /nfs/dbraw/zinc/33/41/51/168334151.db2.gz FKCLHBYRJZNHCW-UHFFFAOYSA-N 0 0 206.289 2.481 50 0 BEAARN COc1ncccc1NC(=O)N1CCCC[C@H]1C ZINC000048364905 398158483 /nfs/dbraw/zinc/15/84/83/398158483.db2.gz RWYZQLLACVPGSC-SNVBAGLBSA-N 0 0 249.314 2.497 50 0 BEAARN Cc1cc(CN[C@H](CCO)c2ccccc2)no1 ZINC000095984412 178038327 /nfs/dbraw/zinc/03/83/27/178038327.db2.gz KQYQBNAGSQQZLM-CQSZACIVSA-N 0 0 246.310 2.196 50 0 BEAARN Cc1cc(CO)n(-c2ccc(Cl)cc2)n1 ZINC000019045827 178045900 /nfs/dbraw/zinc/04/59/00/178045900.db2.gz OQHKKYHXEKCCHB-UHFFFAOYSA-N 0 0 222.675 2.326 50 0 BEAARN c1coc(-c2nc3ncc4c(n3n2)CCCC4)c1 ZINC000072117569 398177734 /nfs/dbraw/zinc/17/77/34/398177734.db2.gz WLWBMQICSCEGER-UHFFFAOYSA-N 0 0 240.266 2.263 50 0 BEAARN Brc1noc(C2CCC2)n1 ZINC000072109519 398177773 /nfs/dbraw/zinc/17/77/73/398177773.db2.gz BSTMGFYKJQTKSO-UHFFFAOYSA-N 0 0 203.039 2.100 50 0 BEAARN Cc1cc(CS(=O)(=O)CCCC(C)C)no1 ZINC000095464216 178050246 /nfs/dbraw/zinc/05/02/46/178050246.db2.gz SBBZUNZTADQHDZ-UHFFFAOYSA-N 0 0 245.344 2.334 50 0 BEAARN Cc1cc(C[S@@](=O)c2ccoc2C)no1 ZINC000189609206 178057663 /nfs/dbraw/zinc/05/76/63/178057663.db2.gz OWKHDWKJPYSZHK-OAHLLOKOSA-N 0 0 225.269 2.192 50 0 BEAARN Cc1cc(Cl)c(Br)c[n+]1[O-] ZINC000034122993 178059349 /nfs/dbraw/zinc/05/93/49/178059349.db2.gz IZXSYVQEPYNCMC-UHFFFAOYSA-N 0 0 222.469 2.044 50 0 BEAARN Cc1cc(Cl)ccc1C(=O)N1CCOCC1 ZINC000000394953 178067119 /nfs/dbraw/zinc/06/71/19/178067119.db2.gz HUQQGHFBLLHVBE-UHFFFAOYSA-N 0 0 239.702 2.121 50 0 BEAARN Cc1cc(F)c(Br)cc1NC(N)=O ZINC000225597545 178075061 /nfs/dbraw/zinc/07/50/61/178075061.db2.gz NLUMGUDCFMOFLI-UHFFFAOYSA-N 0 0 247.067 2.387 50 0 BEAARN CCC(CC)C(=O)NCc1cc(C2CC2)n(C)n1 ZINC000096099269 168338215 /nfs/dbraw/zinc/33/82/15/168338215.db2.gz AKWVFVOZKJUDCX-UHFFFAOYSA-N 0 0 249.358 2.350 50 0 BEAARN CCC(CC)C(=O)NCc1cccnc1 ZINC000000341790 168338487 /nfs/dbraw/zinc/33/84/87/168338487.db2.gz KXHDWIMDZWKSAU-UHFFFAOYSA-N 0 0 206.289 2.134 50 0 BEAARN Cc1cc(F)ccc1NCc1cncn1C ZINC000085167743 178090104 /nfs/dbraw/zinc/09/01/04/178090104.db2.gz HYCDETMXEIVAFG-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN CCC(CC)C(=O)NCc1c(C)nn(C)c1C ZINC000032611254 168338765 /nfs/dbraw/zinc/33/87/65/168338765.db2.gz DSNNOTJDANYIQW-UHFFFAOYSA-N 0 0 237.347 2.089 50 0 BEAARN NCC(=O)c1cccc(Cl)c1Cl ZINC000021297239 398195200 /nfs/dbraw/zinc/19/52/00/398195200.db2.gz BCFLKCJIRSHEAY-UHFFFAOYSA-N 0 0 204.056 2.135 50 0 BEAARN Cc1cc(N)c(O)c(Br)c1 ZINC000020134800 178103653 /nfs/dbraw/zinc/10/36/53/178103653.db2.gz ZOYLGWDCRVRFCO-UHFFFAOYSA-N 0 0 202.051 2.045 50 0 BEAARN Cc1cc(N)ccc1NC(=O)c1cccnc1 ZINC000020344192 178105999 /nfs/dbraw/zinc/10/59/99/178105999.db2.gz PPCHYXWGCMFNRO-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN Cc1cc(N)nn1-c1ccc(F)cc1F ZINC000034907427 178111564 /nfs/dbraw/zinc/11/15/64/178111564.db2.gz RCRPMJMEOADQIG-UHFFFAOYSA-N 0 0 209.199 2.041 50 0 BEAARN CCC(CC)C(=O)Nc1c(C)nn(C)c1C ZINC000027927339 168339762 /nfs/dbraw/zinc/33/97/62/168339762.db2.gz LTTYXKSNPGKLCW-UHFFFAOYSA-N 0 0 223.320 2.412 50 0 BEAARN Cc1cc(NC(=O)/C=C/c2cccnc2)ccn1 ZINC000072281121 178123185 /nfs/dbraw/zinc/12/31/85/178123185.db2.gz IDXHPRYICONJRN-SNAWJCMRSA-N 0 0 239.278 2.437 50 0 BEAARN Cc1cc(NC(=O)/C=C\c2ccncc2)ccn1 ZINC000096034970 178123827 /nfs/dbraw/zinc/12/38/27/178123827.db2.gz JOIVKOOMIJZYNY-IHWYPQMZSA-N 0 0 239.278 2.437 50 0 BEAARN Cc1cc(NC(=O)C(Cl)(Cl)Cl)no1 ZINC000002312636 178125792 /nfs/dbraw/zinc/12/57/92/178125792.db2.gz YNPJNHVZTVCDOL-UHFFFAOYSA-N 0 0 243.477 2.292 50 0 BEAARN Cc1cc(NC(=O)CCc2c(C)noc2C)no1 ZINC000024491907 178127942 /nfs/dbraw/zinc/12/79/42/178127942.db2.gz ZUCXXGHAWVWMLK-UHFFFAOYSA-N 0 0 249.270 2.159 50 0 BEAARN Cc1cc(NC(=O)CC[C@@H]2CCCO2)sn1 ZINC000096449156 178128951 /nfs/dbraw/zinc/12/89/51/178128951.db2.gz VGMLQBOCSUBXCC-VIFPVBQESA-N 0 0 240.328 2.349 50 0 BEAARN Cc1cc(NC(=O)CNc2ccccc2)no1 ZINC000009372374 178132604 /nfs/dbraw/zinc/13/26/04/178132604.db2.gz PJORONOIDWNRPF-UHFFFAOYSA-N 0 0 231.255 2.034 50 0 BEAARN Cc1cc(NC(=O)CNc2ccc(F)cc2)no1 ZINC000009335868 178132906 /nfs/dbraw/zinc/13/29/06/178132906.db2.gz WXBBKSUCTACHJZ-UHFFFAOYSA-N 0 0 249.245 2.173 50 0 BEAARN Cc1cc(NC(=O)NCc2ccc(F)cc2)on1 ZINC000058332162 178140841 /nfs/dbraw/zinc/14/08/41/178140841.db2.gz ZIRQJQNEJWWJBC-UHFFFAOYSA-N 0 0 249.245 2.444 50 0 BEAARN Cc1cc(NC(=O)N[C@H](C)C(C)C)no1 ZINC000048469442 178142232 /nfs/dbraw/zinc/14/22/32/178142232.db2.gz QYZATZOSQYVPAX-MRVPVSSYSA-N 0 0 211.265 2.149 50 0 BEAARN Cc1cc(NC(=O)Nc2c(C)noc2C)no1 ZINC000049516691 178142796 /nfs/dbraw/zinc/14/27/96/178142796.db2.gz GAXLSVOCCGBIIL-UHFFFAOYSA-N 0 0 236.231 2.232 50 0 BEAARN CC[C@@H](C)[C@H](OC)C(=O)Nc1nc(C)cs1 ZINC000331036075 398215703 /nfs/dbraw/zinc/21/57/03/398215703.db2.gz NANNIWCFNZHGGS-APPZFPTMSA-N 0 0 242.344 2.451 50 0 BEAARN CCC(CC)C(=O)Nc1cnccc1OC ZINC000069377300 168342920 /nfs/dbraw/zinc/34/29/20/168342920.db2.gz DQSBOGGQDBZHDS-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN Cc1cc(NC(=O)[C@H]2CCCO2)nc(C(C)C)n1 ZINC000063441092 178148185 /nfs/dbraw/zinc/14/81/85/178148185.db2.gz AWDGMRBYQMCOIV-SNVBAGLBSA-N 0 0 249.314 2.026 50 0 BEAARN Cc1cc(NC(=O)c2ccc(C)s2)n(C)n1 ZINC000027934201 178149765 /nfs/dbraw/zinc/14/97/65/178149765.db2.gz HNVLIDGPHYUQHQ-UHFFFAOYSA-N 0 0 235.312 2.351 50 0 BEAARN Cc1cc(NC(=O)c2cc3occc3n2C)no1 ZINC000036352600 178150765 /nfs/dbraw/zinc/15/07/65/178150765.db2.gz AQZNYZDVTUGIED-UHFFFAOYSA-N 0 0 245.238 2.320 50 0 BEAARN Cc1cc(NC(=O)c2cn[nH]n2)ccc1Cl ZINC000137236774 178151498 /nfs/dbraw/zinc/15/14/98/178151498.db2.gz KAXVOTAOXSKKOI-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN Cc1cc(NC(=O)c2ccccc2)no1 ZINC000000039011 178151575 /nfs/dbraw/zinc/15/15/75/178151575.db2.gz PYYNRSJHYPEMOS-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Cc1cc(NC(N)=S)ccc1Br ZINC000012505970 178152775 /nfs/dbraw/zinc/15/27/75/178152775.db2.gz AXOOLCWORPVHEQ-UHFFFAOYSA-N 0 0 245.145 2.413 50 0 BEAARN Cc1cc(NCCCOC(C)C)ncn1 ZINC000301263102 178160444 /nfs/dbraw/zinc/16/04/44/178160444.db2.gz SQLWSSYSGWKJSY-UHFFFAOYSA-N 0 0 209.293 2.012 50 0 BEAARN Cc1cc(NCCc2cccc(O)c2)nc(C)n1 ZINC000096429291 178163776 /nfs/dbraw/zinc/16/37/76/178163776.db2.gz RLPBPCLCGXLFQP-UHFFFAOYSA-N 0 0 243.310 2.454 50 0 BEAARN Cc1cc(NC[C@H](O)c2ccccc2)nc(C)n1 ZINC000037498684 178168225 /nfs/dbraw/zinc/16/82/25/178168225.db2.gz DMDUUBOPKIZBND-ZDUSSCGKSA-N 0 0 243.310 2.239 50 0 BEAARN Cc1cc(Nc2ccc(F)cc2F)nc(N)n1 ZINC000000089189 178192361 /nfs/dbraw/zinc/19/23/61/178192361.db2.gz XKWTUUSLNSPYCL-UHFFFAOYSA-N 0 0 236.225 2.389 50 0 BEAARN Cc1cc(O)c(C(=O)Cc2ccccn2)c(O)c1 ZINC000000518846 178192827 /nfs/dbraw/zinc/19/28/27/178192827.db2.gz GWRPPKBCCRMIRK-UHFFFAOYSA-N 0 0 243.262 2.227 50 0 biogenic BEAARN Cc1cc(Nc2ccccc2)n2ncnc2n1 ZINC000001260422 178193801 /nfs/dbraw/zinc/19/38/01/178193801.db2.gz RLASLOLCTAMGCE-UHFFFAOYSA-N 0 0 225.255 2.176 50 0 BEAARN Cc1cc(O)ccc1NC(=S)NC1CC1 ZINC000016970572 178200375 /nfs/dbraw/zinc/20/03/75/178200375.db2.gz LPJNWHDLHKRWLI-UHFFFAOYSA-N 0 0 222.313 2.149 50 0 BEAARN Cc1cc([C@@H](C)NCc2noc(C)n2)c(C)o1 ZINC000097111999 178229541 /nfs/dbraw/zinc/22/95/41/178229541.db2.gz UKTVIDDEVGQTMZ-MRVPVSSYSA-N 0 0 235.287 2.439 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)NC(C)C)on1 ZINC000035511409 178240809 /nfs/dbraw/zinc/24/08/09/178240809.db2.gz IIQQLVNRAAITNN-JTQLQIEISA-N 0 0 237.303 2.238 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)C2CCC2)no1 ZINC000044633339 178242027 /nfs/dbraw/zinc/24/20/27/178242027.db2.gz OJGDNKPJDRACML-LBPRGKRZSA-N 0 0 234.299 2.447 50 0 BEAARN Cn1cnnc1S[C@H]1CC(C)(C)OC1(C)C ZINC000170605498 361795026 /nfs/dbraw/zinc/79/50/26/361795026.db2.gz YPQYUFHROPSABS-QMMMGPOBSA-N 0 0 241.360 2.253 50 0 BEAARN Cc1cc([C@H]2CCCN2C(=O)C2CC2)no1 ZINC000044633320 178265853 /nfs/dbraw/zinc/26/58/53/178265853.db2.gz RRDLULWCAGZNQO-LLVKDONJSA-N 0 0 220.272 2.057 50 0 BEAARN Fc1cc2ncc(N3CCCO3)nc2cc1F ZINC000097109575 398238755 /nfs/dbraw/zinc/23/87/55/398238755.db2.gz IXWYKYSQXSQDHM-UHFFFAOYSA-N 0 0 237.209 2.050 50 0 BEAARN Cc1cc2c(ncnc2N2CCCO2)s1 ZINC000097373510 178279278 /nfs/dbraw/zinc/27/92/78/178279278.db2.gz RCTNPXQMNLEGKB-UHFFFAOYSA-N 0 0 221.285 2.141 50 0 BEAARN Cc1cc2c(cc1C)N[C@H](C)CC(=O)N2 ZINC000000067181 178285951 /nfs/dbraw/zinc/28/59/51/178285951.db2.gz XLCUHBZBXLYRMW-SECBINFHSA-N 0 0 204.273 2.446 50 0 BEAARN Cc1cc2ncn(C(=O)N(C)C)c2cc1C ZINC000000152111 178305750 /nfs/dbraw/zinc/30/57/50/178305750.db2.gz LOGRRSFULJAHBE-UHFFFAOYSA-N 0 0 217.272 2.183 50 0 BEAARN Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)F)N2 ZINC000225331986 178300406 /nfs/dbraw/zinc/30/04/06/178300406.db2.gz MTKXADUJQZQLQK-RQJHMYQMSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2ncc(C=O)n2cc1Br ZINC000038537239 178304029 /nfs/dbraw/zinc/30/40/29/178304029.db2.gz PAHPNWWTCINFQJ-UHFFFAOYSA-N 0 0 239.072 2.218 50 0 BEAARN Cc1cc2c(nc1C)sc1c2ncn(C)c1=O ZINC000013720516 178293272 /nfs/dbraw/zinc/29/32/72/178293272.db2.gz AIWRUZGRKSQXMG-UHFFFAOYSA-N 0 0 245.307 2.160 50 0 BEAARN Cc1ccc(-c2cc(=O)n3cnnc3s2)cc1 ZINC000004751704 178317614 /nfs/dbraw/zinc/31/76/14/178317614.db2.gz YKQQMUNNHSCLKM-UHFFFAOYSA-N 0 0 243.291 2.126 50 0 BEAARN Cc1ccc(-c2cc3n(n2)CCC(=O)N3)cc1 ZINC000021781827 178321187 /nfs/dbraw/zinc/32/11/87/178321187.db2.gz PEXQSGOCCOOROP-UHFFFAOYSA-N 0 0 227.267 2.201 50 0 BEAARN Cc1ccc(-c2ccc(CO)o2)c(N)c1 ZINC000004245236 178323932 /nfs/dbraw/zinc/32/39/32/178323932.db2.gz ORFBLRMSLNTEPZ-UHFFFAOYSA-N 0 0 203.241 2.330 50 0 BEAARN Cc1ccc(-c2nc3n(n2)C(=O)CCS3)cc1 ZINC000000190763 178338538 /nfs/dbraw/zinc/33/85/38/178338538.db2.gz OZHGFEMDHPXXGO-UHFFFAOYSA-N 0 0 245.307 2.390 50 0 BEAARN Cc1ccc(-n2nc3[nH]cccc-3c2=O)cc1 ZINC000035504001 178344803 /nfs/dbraw/zinc/34/48/03/178344803.db2.gz BHLDPECIVVUIJB-UHFFFAOYSA-N 0 0 225.251 2.022 50 0 BEAARN Cc1c(C(=O)N(C)C)cnn1-c1ccc(C)cc1 ZINC000012951539 178350007 /nfs/dbraw/zinc/35/00/07/178350007.db2.gz SZABBTVHONYOFK-UHFFFAOYSA-N 0 0 243.310 2.191 50 0 BEAARN Cc1nn(-c2ccc(C)cc2)cc1C=O ZINC000036894305 178346357 /nfs/dbraw/zinc/34/63/57/178346357.db2.gz JFANPGNRHKUSOC-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1nn(-c2ccc(C)cc2)c(C)c1N ZINC000012505781 178348778 /nfs/dbraw/zinc/34/87/78/178348778.db2.gz FMHDYHBBHMTYBU-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN Cc1ccc(-c2cnc3cncnc3n2)cc1 ZINC000000331418 178328655 /nfs/dbraw/zinc/32/86/55/178328655.db2.gz WIKGOJPAYOWLOB-UHFFFAOYSA-N 0 0 222.251 2.395 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)c2ccncc2)n1 ZINC000025217478 538947296 /nfs/dbraw/zinc/94/72/96/538947296.db2.gz XPPRBFRSPZSLPZ-NSHDSACASA-N 0 0 241.294 2.276 50 0 BEAARN C[C@@H](NC(=O)c1ccoc1)c1ccccn1 ZINC000028783612 538948689 /nfs/dbraw/zinc/94/86/89/538948689.db2.gz GGWHDDIWSOQNPD-SECBINFHSA-N 0 0 216.240 2.166 50 0 BEAARN Cc1ccc(Br)cc1S(C)(=O)=O ZINC000000154107 178362192 /nfs/dbraw/zinc/36/21/92/178362192.db2.gz SRYXZVWRMOFVCO-UHFFFAOYSA-N 0 0 249.129 2.161 50 0 BEAARN COc1c(C)c(=O)oc2ccc(C)cc21 ZINC000000057838 343997812 /nfs/dbraw/zinc/99/78/12/343997812.db2.gz FUBFYCNQPDAEKI-UHFFFAOYSA-N 0 0 204.225 2.418 50 0 BEAARN Cc1ccc(-n2nnnc2SC(F)F)cc1 ZINC000003331366 178350860 /nfs/dbraw/zinc/35/08/60/178350860.db2.gz PIAVSWZSKMCSDF-UHFFFAOYSA-N 0 0 242.254 2.285 50 0 BEAARN Cc1ccc(/C=C/C(=O)NC2CC2)cc1 ZINC000006204146 178352912 /nfs/dbraw/zinc/35/29/12/178352912.db2.gz GDGPGYCLJYAXOD-RMKNXTFCSA-N 0 0 201.269 2.287 50 0 BEAARN Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2C)n1 ZINC000032906163 538951161 /nfs/dbraw/zinc/95/11/61/538951161.db2.gz IKXNCIWUTPKIFA-LBPRGKRZSA-N 0 0 249.358 2.291 50 0 BEAARN Cc1ccc2c(c1)S[C@H](C(=O)N(C)C)C2 ZINC000032904170 538951330 /nfs/dbraw/zinc/95/13/30/538951330.db2.gz PPNSJCMRJVSDOI-NSHDSACASA-N 0 0 221.325 2.100 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1cccc(N)n1 ZINC000051070425 346823342 /nfs/dbraw/zinc/82/33/42/346823342.db2.gz OAWSRGNZSZTWCA-SNVBAGLBSA-N 0 0 233.315 2.069 50 0 BEAARN C[C@@H](C(=O)N1CCCC1)N1CCc2ccccc21 ZINC000032652093 538950517 /nfs/dbraw/zinc/95/05/17/538950517.db2.gz RJHPGMIJYRABOE-LBPRGKRZSA-N 0 0 244.338 2.060 50 0 BEAARN Cc1ccc(C(=O)N2CCSCC2)cc1 ZINC000001061490 178394015 /nfs/dbraw/zinc/39/40/15/178394015.db2.gz SWZVCBWVCPZGLM-UHFFFAOYSA-N 0 0 221.325 2.184 50 0 BEAARN Cc1ccc(C(=O)N2CCO[C@H](C)C2)cc1C ZINC000012976607 178394153 /nfs/dbraw/zinc/39/41/53/178394153.db2.gz KRCMZCBXJYFAHQ-GFCCVEGCSA-N 0 0 233.311 2.164 50 0 BEAARN FC(F)(F)c1nc(-c2ccccc2)n[nH]1 ZINC000034203934 538954216 /nfs/dbraw/zinc/95/42/16/538954216.db2.gz DEVRZHXKHXGIIY-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN NNC(=S)Nc1cccc(Cl)c1Cl ZINC000000097977 342674344 /nfs/dbraw/zinc/67/43/44/342674344.db2.gz WMKBKUQEIHLEHL-UHFFFAOYSA-N 0 0 236.127 2.154 50 0 BEAARN Cc1cc(C(=O)NCc2ccco2)c(C)o1 ZINC000000110385 342674959 /nfs/dbraw/zinc/67/49/59/342674959.db2.gz HNBXLRWAWKCEKU-UHFFFAOYSA-N 0 0 219.240 2.419 50 0 BEAARN O=C(c1ccc(F)cc1)N1CCCCC1 ZINC000000128889 342675958 /nfs/dbraw/zinc/67/59/58/342675958.db2.gz UVBXLMBIXAPNBB-UHFFFAOYSA-N 0 0 207.248 2.452 50 0 BEAARN COC(=O)CCC(=O)Nc1ccc(C)cc1C ZINC000000134024 342676315 /nfs/dbraw/zinc/67/63/15/342676315.db2.gz SSRAUXMQVDULAA-UHFFFAOYSA-N 0 0 235.283 2.195 50 0 BEAARN CCCc1cc(O)c2c(=O)cccc-2o1 ZINC000000133000 342676335 /nfs/dbraw/zinc/67/63/35/342676335.db2.gz MMAADJQJDFQBDB-UHFFFAOYSA-N 0 0 204.225 2.451 50 0 BEAARN Cc1oc(-c2ccccc2)nc1CCO ZINC000000132940 342676422 /nfs/dbraw/zinc/67/64/22/342676422.db2.gz JYWHQBLLIBQGCU-UHFFFAOYSA-N 0 0 203.241 2.185 50 0 in-vitro BEAARN Nc1ccccc1C(=O)N1CCc2ccccc21 ZINC000000134119 342676491 /nfs/dbraw/zinc/67/64/91/342676491.db2.gz WBIVLKJODIOWTB-UHFFFAOYSA-N 0 0 238.290 2.472 50 0 BEAARN O=C(c1ccc(Br)o1)N1CCCC1 ZINC000000142129 342676586 /nfs/dbraw/zinc/67/65/86/342676586.db2.gz CHXUGJXTWLFHHF-UHFFFAOYSA-N 0 0 244.088 2.278 50 0 BEAARN CC(C)(C)c1ccc(-c2cc(=O)[nH]c(=O)o2)cc1 ZINC000000142938 342677002 /nfs/dbraw/zinc/67/70/02/342677002.db2.gz SIJDJNHBQRFNAP-UHFFFAOYSA-N 0 0 245.278 2.293 50 0 BEAARN Nc1c(F)cc(F)cc1Br ZINC000000152682 342677449 /nfs/dbraw/zinc/67/74/49/342677449.db2.gz WUJKFVGKLTWVSQ-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN O=C(OCc1ccccc1)N1CCC[C@@H](CO)C1 ZINC000000159022 342677896 /nfs/dbraw/zinc/67/78/96/342677896.db2.gz XLWOOUZKMJBINO-CYBMUJFWSA-N 0 0 249.310 2.028 50 0 BEAARN Nc1ccc(OC(F)(F)C(F)F)c(N)c1 ZINC000000163972 342678692 /nfs/dbraw/zinc/67/86/92/342678692.db2.gz GZBDTUVDCDMCDU-UHFFFAOYSA-N 0 0 224.157 2.088 50 0 BEAARN Cc1ccc2c(c1)C(O)=C[C@](O)(C(F)(F)F)O2 ZINC000000185415 342679504 /nfs/dbraw/zinc/67/95/04/342679504.db2.gz ZQFJSMRUMUXVGK-SNVBAGLBSA-N 0 0 246.184 2.211 50 0 BEAARN Cc1ccc2c(c1)c1c(n2C)[C@H](C(N)=O)CCC1 ZINC000000188817 342679712 /nfs/dbraw/zinc/67/97/12/342679712.db2.gz KOYPMFDJDZCEPA-LLVKDONJSA-N 0 0 242.322 2.392 50 0 BEAARN CCc1nc(C(C)(C)O)n(-c2ccccc2)n1 ZINC000000202059 342679936 /nfs/dbraw/zinc/67/99/36/342679936.db2.gz BQEBTEREEHARKN-UHFFFAOYSA-N 0 0 231.299 2.057 50 0 BEAARN COc1c(F)c(F)c(OC)c(F)c1F ZINC000000226042 342680684 /nfs/dbraw/zinc/68/06/84/342680684.db2.gz WQXKGOOORHDGFP-UHFFFAOYSA-N 0 0 210.126 2.260 50 0 BEAARN O=C(c1ccccc1F)N1CCCCC1 ZINC000000281144 342682205 /nfs/dbraw/zinc/68/22/05/342682205.db2.gz CUMYVWVEQXBEQZ-UHFFFAOYSA-N 0 0 207.248 2.452 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccccc1OC ZINC000000290240 342682372 /nfs/dbraw/zinc/68/23/72/342682372.db2.gz KGPHPTSJCDCHNY-SECBINFHSA-N 0 0 207.273 2.224 50 0 BEAARN CCN(CC)C(=O)c1c(F)cccc1F ZINC000000298237 342682614 /nfs/dbraw/zinc/68/26/14/342682614.db2.gz FBIZJCIZLQXWDA-UHFFFAOYSA-N 0 0 213.227 2.447 50 0 BEAARN CCOc1ccc(NC(=S)NC)cc1 ZINC000000306007 342682880 /nfs/dbraw/zinc/68/28/80/342682880.db2.gz XDMNTXPIJAPAFO-UHFFFAOYSA-N 0 0 210.302 2.002 50 0 BEAARN Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000000313221 342683122 /nfs/dbraw/zinc/68/31/22/342683122.db2.gz VZUVOYFTHDDTLB-UHFFFAOYSA-N 0 0 244.294 2.198 50 0 BEAARN CCOc1ccc(Br)cn1 ZINC000000331001 342683572 /nfs/dbraw/zinc/68/35/72/342683572.db2.gz WQXZKMUZWPUZGL-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN CSc1ccccc1NC(=O)c1cnn(C)c1 ZINC000000355605 342684631 /nfs/dbraw/zinc/68/46/31/342684631.db2.gz ARDRTPJODSXMEE-UHFFFAOYSA-N 0 0 247.323 2.394 50 0 BEAARN Cc1ccsc1CNn1cn[nH]c1=S ZINC000000359708 342684784 /nfs/dbraw/zinc/68/47/84/342684784.db2.gz PGAGGUFUPSDRLK-UHFFFAOYSA-N 0 0 226.330 2.054 50 0 BEAARN Fc1ccc(NC(=S)NC2CC2)cc1 ZINC000000372130 342685390 /nfs/dbraw/zinc/68/53/90/342685390.db2.gz JNWJYUHBRXBDMW-UHFFFAOYSA-N 0 0 210.277 2.275 50 0 BEAARN CCS(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000000374156 342685497 /nfs/dbraw/zinc/68/54/97/342685497.db2.gz KOHKEPYKYCRXHQ-UHFFFAOYSA-N 0 0 227.329 2.373 50 0 BEAARN CCN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000000386708 342685610 /nfs/dbraw/zinc/68/56/10/342685610.db2.gz NZOZDLVYCYBKHN-UHFFFAOYSA-N 0 0 247.342 2.164 50 0 BEAARN CC(C)(Cc1ccc(Cl)cc1)NC(N)=O ZINC000000394356 342686164 /nfs/dbraw/zinc/68/61/64/342686164.db2.gz MZDCMPNXLKPWAH-UHFFFAOYSA-N 0 0 226.707 2.329 50 0 BEAARN CCCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000400434 342686431 /nfs/dbraw/zinc/68/64/31/342686431.db2.gz PVJIHQMHIWSKLW-UHFFFAOYSA-N 0 0 220.272 2.384 50 0 BEAARN CCC(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000000398211 342686450 /nfs/dbraw/zinc/68/64/50/342686450.db2.gz ISWUYPRNZNAODG-UHFFFAOYSA-N 0 0 236.271 2.002 50 0 BEAARN Cc1ccc(NC(=S)N2CCOCC2)cc1 ZINC000000453737 342687606 /nfs/dbraw/zinc/68/76/06/342687606.db2.gz OZKHNEUPIFDYMD-UHFFFAOYSA-N 0 0 236.340 2.024 50 0 BEAARN Cn1cnnc1SCc1ccc(F)cc1 ZINC000000448650 342687832 /nfs/dbraw/zinc/68/78/32/342687832.db2.gz ZFMGGEAHIPXWND-UHFFFAOYSA-N 0 0 223.276 2.247 50 0 BEAARN COc1cc(NC(=O)C(F)(F)F)cc(OC)c1 ZINC000000458329 342688147 /nfs/dbraw/zinc/68/81/47/342688147.db2.gz JBVIFDIYLLRZDA-UHFFFAOYSA-N 0 0 249.188 2.205 50 0 BEAARN COc1cc(N2CCCC2)c(OC)cc1C=O ZINC000000467510 342688318 /nfs/dbraw/zinc/68/83/18/342688318.db2.gz PVYKEKQDQZMXCB-UHFFFAOYSA-N 0 0 235.283 2.117 50 0 BEAARN CC(C)(C)CNC(=O)c1ccccc1O ZINC000000472008 342688347 /nfs/dbraw/zinc/68/83/47/342688347.db2.gz WUMQTTSAODFXFE-UHFFFAOYSA-N 0 0 207.273 2.168 50 0 BEAARN COCc1nnc(NC(=O)CC(C)(C)C)s1 ZINC000000477744 342688604 /nfs/dbraw/zinc/68/86/04/342688604.db2.gz ORHZRGZAEQRQRG-UHFFFAOYSA-N 0 0 243.332 2.059 50 0 BEAARN CC[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000000030462 342669913 /nfs/dbraw/zinc/66/99/13/342669913.db2.gz XNCVDGVEKBXSSH-UONOGXRCSA-N 0 0 247.338 2.475 50 0 BEAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000000041051 342670984 /nfs/dbraw/zinc/67/09/84/342670984.db2.gz FEUCBQVXYVZGCM-LBPRGKRZSA-N 0 0 219.284 2.126 50 0 BEAARN CSc1sc(SC)c(CO)c1CO ZINC000000042398 342671019 /nfs/dbraw/zinc/67/10/19/342671019.db2.gz CNSGJIPSTUPZNO-UHFFFAOYSA-N 0 0 236.383 2.177 50 0 BEAARN CSc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000000040050 342671031 /nfs/dbraw/zinc/67/10/31/342671031.db2.gz AQARZJACISMABK-UHFFFAOYSA-N 0 0 222.269 2.056 50 0 BEAARN COC(=O)COc1ccc2occ(C(C)=O)c2c1 ZINC000000050834 342671196 /nfs/dbraw/zinc/67/11/96/342671196.db2.gz XADGLWVTZIGJQN-UHFFFAOYSA-N 0 0 248.234 2.187 50 0 BEAARN COC(=O)NC(=S)Nc1ccc(C)c(C)c1 ZINC000000556244 342690127 /nfs/dbraw/zinc/69/01/27/342690127.db2.gz UHWHBLORODYFPE-UHFFFAOYSA-N 0 0 238.312 2.356 50 0 BEAARN CCN(CC)C(=O)COc1ccc(C)cc1 ZINC000000584323 342690764 /nfs/dbraw/zinc/69/07/64/342690764.db2.gz LPIYISUNEPZFPA-UHFFFAOYSA-N 0 0 221.300 2.242 50 0 BEAARN Cc1cc(C)n(C(=O)Cc2ccccc2)n1 ZINC000000583414 342690844 /nfs/dbraw/zinc/69/08/44/342690844.db2.gz FNWIWGLBMRVSJR-UHFFFAOYSA-N 0 0 214.268 2.383 50 0 BEAARN CCc1cc(C)cc(OCC(=O)NC2CC2)c1 ZINC000000614074 342690937 /nfs/dbraw/zinc/69/09/37/342690937.db2.gz VRCGXLVYXNVMOF-UHFFFAOYSA-N 0 0 233.311 2.215 50 0 BEAARN CCSc1nnnn1-c1ccc(C)cc1 ZINC000000621446 342690964 /nfs/dbraw/zinc/69/09/64/342690964.db2.gz NJEQSVCUPZZLKD-UHFFFAOYSA-N 0 0 220.301 2.083 50 0 BEAARN Cc1ccc(CNCc2cccnc2)o1 ZINC000000793400 342692828 /nfs/dbraw/zinc/69/28/28/342692828.db2.gz HDQATYDJUSWSLT-UHFFFAOYSA-N 0 0 202.257 2.273 50 0 BEAARN CC[NH+](CC)[C@H](C(=O)[O-])c1ccccc1 ZINC000000811640 342693003 /nfs/dbraw/zinc/69/30/03/342693003.db2.gz ZUCSUKWYYWJTHM-NSHDSACASA-N 0 0 207.273 2.154 50 0 biogenic BEAARN C[C@@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000000860000 342693834 /nfs/dbraw/zinc/69/38/34/342693834.db2.gz MBOHDDFPFVOVGY-LBPRGKRZSA-N 0 0 233.311 2.039 50 0 BEAARN Cc1ccc(NC(=O)COc2ccccc2)nc1 ZINC000001006296 342695924 /nfs/dbraw/zinc/69/59/24/342695924.db2.gz BPBCMKVOPMRDLZ-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN O=c1[nH]c2cc(Br)ccc2s1 ZINC000001046989 342696218 /nfs/dbraw/zinc/69/62/18/342696218.db2.gz BNWQDLHPYANRAV-UHFFFAOYSA-N 0 0 230.086 2.352 50 0 BEAARN O=C(c1ccccc1F)N1CCCCCC1=O ZINC000001099219 342697417 /nfs/dbraw/zinc/69/74/17/342697417.db2.gz PANKQJCCAJEZEQ-UHFFFAOYSA-N 0 0 235.258 2.369 50 0 BEAARN COc1ccc([C@H](C)NC(=O)C2CC2)cc1OC ZINC000001184123 342697959 /nfs/dbraw/zinc/69/79/59/342697959.db2.gz OOUPZMSYKBUMJA-VIFPVBQESA-N 0 0 249.310 2.291 50 0 BEAARN CCc1ccsc1C(=O)O[C@H]1CCOC1 ZINC000071883869 342698562 /nfs/dbraw/zinc/69/85/62/342698562.db2.gz SNDMKCKKKZSZHN-VIFPVBQESA-N 0 0 226.297 2.256 50 0 BEAARN CCc1ccsc1C(=O)O[C@@H]1CCOC1 ZINC000071883868 342698632 /nfs/dbraw/zinc/69/86/32/342698632.db2.gz SNDMKCKKKZSZHN-SECBINFHSA-N 0 0 226.297 2.256 50 0 BEAARN NN=c1[nH]c2cc(Cl)ccc2nc1Cl ZINC000001384945 342699504 /nfs/dbraw/zinc/69/95/04/342699504.db2.gz UMIBNTAMBAHQPV-UHFFFAOYSA-N 0 0 229.070 2.222 50 0 BEAARN Nc1c(-c2ccc(Cl)cc2)cnc2ncnn21 ZINC000001389325 342699694 /nfs/dbraw/zinc/69/96/94/342699694.db2.gz SZOGRDCSLLFTNT-UHFFFAOYSA-N 0 0 245.673 2.027 50 0 BEAARN O=C(Oc1ccccc1)C(=O)Oc1ccccc1 ZINC000001593377 342704844 /nfs/dbraw/zinc/70/48/44/342704844.db2.gz ULOZDEVJRTYKFE-UHFFFAOYSA-N 0 0 242.230 2.198 50 0 BEAARN N#Cc1cc(-c2ccnc(Cl)n2)ccc1N ZINC000116813988 342710048 /nfs/dbraw/zinc/71/00/48/342710048.db2.gz ULBXUORRCFXAML-UHFFFAOYSA-N 0 0 230.658 2.251 50 0 BEAARN Clc1nnc(Cl)c2ncccc12 ZINC000001717971 342711023 /nfs/dbraw/zinc/71/10/23/342711023.db2.gz QNGKPMNRSDSBMD-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000001725922 342711301 /nfs/dbraw/zinc/71/13/01/342711301.db2.gz GUAGHTDLIMFQDF-UHFFFAOYSA-N 0 0 220.659 2.481 50 0 BEAARN O=C([O-])[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000037183649 538962057 /nfs/dbraw/zinc/96/20/57/538962057.db2.gz YQWLYFPXDIHYLF-SNVBAGLBSA-N 0 0 225.675 2.218 50 0 BEAARN CN(C)c1ccc(I)cc1 ZINC000001756739 342712178 /nfs/dbraw/zinc/71/21/78/342712178.db2.gz QYOPPZJZMFMBDN-UHFFFAOYSA-N 0 0 247.079 2.357 50 0 BEAARN CC(=O)Nc1ccc(Br)s1 ZINC000002385500 342719645 /nfs/dbraw/zinc/71/96/45/342719645.db2.gz SVIZHRDMDNJNMC-UHFFFAOYSA-N 0 0 220.091 2.469 50 0 BEAARN CCC1(CN=c2nc(N(C)C)[nH]s2)CCC1 ZINC000584901188 342713708 /nfs/dbraw/zinc/71/37/08/342713708.db2.gz MBUBRUBWEBDDGR-UHFFFAOYSA-N 0 0 240.376 2.018 50 0 BEAARN Cn1cncc1C(=O)NC[C@@H]1CC12CCCCC2 ZINC000584902341 342713963 /nfs/dbraw/zinc/71/39/63/342713963.db2.gz WGOCVXYPAZMNRN-NSHDSACASA-N 0 0 247.342 2.120 50 0 BEAARN O=C(c1ccc(Cl)nc1)c1ccccn1 ZINC000002392666 342720072 /nfs/dbraw/zinc/72/00/72/342720072.db2.gz HEVOJFGATKQKNS-UHFFFAOYSA-N 0 0 218.643 2.361 50 0 BEAARN Cc1ccc(Cc2ccc(=O)[nH]n2)cc1 ZINC000004024240 342741070 /nfs/dbraw/zinc/74/10/70/342741070.db2.gz SLSAYJXDQSAVFR-UHFFFAOYSA-N 0 0 200.241 2.081 50 0 BEAARN CC(C)CNC(=O)C(Cl)(Cl)Cl ZINC000004155327 342743115 /nfs/dbraw/zinc/74/31/15/342743115.db2.gz NDMSFHUQCYYLAI-UHFFFAOYSA-N 0 0 218.511 2.129 50 0 BEAARN Cc1ccc(N[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000004158570 342743409 /nfs/dbraw/zinc/74/34/09/342743409.db2.gz HJXYTODHBGFIKK-LBPRGKRZSA-N 0 0 237.324 2.026 50 0 BEAARN CCOc1nc(Br)cs1 ZINC000004198786 342743719 /nfs/dbraw/zinc/74/37/19/342743719.db2.gz WWAHHXIZNAPEBY-UHFFFAOYSA-N 0 0 208.080 2.304 50 0 BEAARN CCOc1c2cc(C(=O)OC)[nH]c2ccc1OC ZINC000004235107 342744843 /nfs/dbraw/zinc/74/48/43/342744843.db2.gz PODGFMGVOGSYMT-UHFFFAOYSA-N 0 0 249.266 2.362 50 0 BEAARN CCOc1ncccc1I ZINC000004352665 342747064 /nfs/dbraw/zinc/74/70/64/342747064.db2.gz QOCXFQFGXYWCHJ-UHFFFAOYSA-N 0 0 249.051 2.085 50 0 BEAARN Nc1nc(-c2cccnc2)nc2ccccc12 ZINC000004537647 342748763 /nfs/dbraw/zinc/74/87/63/342748763.db2.gz RPLDBOSSOMYTDM-UHFFFAOYSA-N 0 0 222.251 2.274 50 0 BEAARN CC(C)(C)OC(=O)N(CCO)c1ccccc1 ZINC000002518256 342722284 /nfs/dbraw/zinc/72/22/84/342722284.db2.gz GYRDREFSISCMKG-UHFFFAOYSA-N 0 0 237.299 2.420 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000002526869 342722692 /nfs/dbraw/zinc/72/26/92/342722692.db2.gz MXKROQQTKYAUJB-QMMMGPOBSA-N 0 0 233.189 2.180 50 0 BEAARN Nc1cc(F)cc(I)c1 ZINC000002528697 342722964 /nfs/dbraw/zinc/72/29/64/342722964.db2.gz HTEPMXLKKDKDAQ-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN Cn1cc(CNc2ccccc2F)cn1 ZINC000002536134 342723181 /nfs/dbraw/zinc/72/31/81/342723181.db2.gz VYOCAVJEXNXVJM-UHFFFAOYSA-N 0 0 205.236 2.171 50 0 BEAARN Cc1ccc(OCC2N=NC(=S)N2C)c(C)c1 ZINC000002536768 342723280 /nfs/dbraw/zinc/72/32/80/342723280.db2.gz HCJIFWPUQZPORV-UHFFFAOYSA-N 0 0 249.339 2.300 50 0 BEAARN NNc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000002537727 342723287 /nfs/dbraw/zinc/72/32/87/342723287.db2.gz DUTBDMVHMDUFIT-UHFFFAOYSA-N 0 0 244.176 2.041 50 0 BEAARN Nc1cccc(Cn2cc(Cl)cn2)c1 ZINC000002558376 342723980 /nfs/dbraw/zinc/72/39/80/342723980.db2.gz XGPQLTNNMJBPOQ-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN Nc1ccc(F)cc1I ZINC000002584360 342725696 /nfs/dbraw/zinc/72/56/96/342725696.db2.gz SETOTRGVPANENO-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN CC[C@@H](C(=O)N[C@H](C)COC)c1ccccc1 ZINC000002739448 342726733 /nfs/dbraw/zinc/72/67/33/342726733.db2.gz XVBFXHJPAUEZEI-DGCLKSJQSA-N 0 0 235.327 2.331 50 0 BEAARN COC[C@H](C)NC(=O)/C(C)=C/c1ccccc1 ZINC000002729935 342726794 /nfs/dbraw/zinc/72/67/94/342726794.db2.gz DJFUCHYUZPDFFK-ZKQHCESOSA-N 0 0 233.311 2.241 50 0 BEAARN Cc1cc(N)ccc1-c1ccc(CO)o1 ZINC000002883480 342727597 /nfs/dbraw/zinc/72/75/97/342727597.db2.gz SORLILOOMRTFAB-UHFFFAOYSA-N 0 0 203.241 2.330 50 0 BEAARN CCCCOc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000002896035 342727869 /nfs/dbraw/zinc/72/78/69/342727869.db2.gz QPSIVQYERUUXJE-UHFFFAOYSA-N 0 0 245.278 2.295 50 0 BEAARN CC(C)[C@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000003024444 342729740 /nfs/dbraw/zinc/72/97/40/342729740.db2.gz DAEYJORFHFJBSZ-GFCCVEGCSA-N 0 0 235.356 2.258 50 0 BEAARN CC(C)(C)NC(=O)c1cccnc1Cl ZINC000003053600 342729984 /nfs/dbraw/zinc/72/99/84/342729984.db2.gz XDNZKESLUSNPBO-UHFFFAOYSA-N 0 0 212.680 2.263 50 0 BEAARN CCCn1nc(C)c(CNc2cnccn2)c1C ZINC000170612171 361870482 /nfs/dbraw/zinc/87/04/82/361870482.db2.gz HQFGDZQTBFVCMJ-UHFFFAOYSA-N 0 0 245.330 2.312 50 0 BEAARN CCOC(=O)c1ccccc1NC(=O)CC ZINC000003103921 342730408 /nfs/dbraw/zinc/73/04/08/342730408.db2.gz QXGUNUGFJISHOL-UHFFFAOYSA-N 0 0 221.256 2.212 50 0 BEAARN CN(C)c1ccc([C@H](O)C(F)(F)F)cc1 ZINC000003162950 342731106 /nfs/dbraw/zinc/73/11/06/342731106.db2.gz SOYRNYDJSIZAFO-VIFPVBQESA-N 0 0 219.206 2.348 50 0 BEAARN O=S(=O)(c1ccc(F)cc1)C(F)(F)F ZINC000003172375 342731184 /nfs/dbraw/zinc/73/11/84/342731184.db2.gz GYGWKIHINPEOAM-UHFFFAOYSA-N 0 0 228.166 2.119 50 0 BEAARN Cc1cc(-n2c(C)cc(C=O)c2C)no1 ZINC000003349690 342732651 /nfs/dbraw/zinc/73/26/51/342732651.db2.gz NDTIIGDOZXVDOY-UHFFFAOYSA-N 0 0 204.229 2.203 50 0 BEAARN Cc1cnc(C(=O)NC2CCCCCC2)cn1 ZINC000003563574 342734464 /nfs/dbraw/zinc/73/44/64/342734464.db2.gz GKKXUUDJDUNTRO-UHFFFAOYSA-N 0 0 233.315 2.238 50 0 BEAARN CCS(=O)(=O)NC1CCCCCCC1 ZINC000004652488 342749905 /nfs/dbraw/zinc/74/99/05/342749905.db2.gz AOALPVUIXOLEMH-UHFFFAOYSA-N 0 0 219.350 2.039 50 0 BEAARN Cc1cc(C)cc(NC(=O)C(=O)NCC(C)C)c1 ZINC000003666316 342736371 /nfs/dbraw/zinc/73/63/71/342736371.db2.gz UPYLFQPTPPYOLJ-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN [NH3+][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000003676997 342736421 /nfs/dbraw/zinc/73/64/21/342736421.db2.gz CEAIBRZKLBUDQF-ZETCQYMHSA-N 0 0 220.055 2.078 50 0 biogenic BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000003747854 342737475 /nfs/dbraw/zinc/73/74/75/342737475.db2.gz ZYBCTKJORPOWEA-NSHDSACASA-N 0 0 239.702 2.389 50 0 BEAARN O=S1(=O)C=C[C@H](Nc2ccc(Cl)cc2)C1 ZINC000003864411 342738310 /nfs/dbraw/zinc/73/83/10/342738310.db2.gz FOLIKWVLWUMOBL-JTQLQIEISA-N 0 0 243.715 2.063 50 0 BEAARN Cc1ccc(N)c(I)c1 ZINC000003883979 342738969 /nfs/dbraw/zinc/73/89/69/342738969.db2.gz AJTUKWIQLKKRHE-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN CC(=O)NCCOc1ccc(Cl)c(C)c1 ZINC000004782852 342752179 /nfs/dbraw/zinc/75/21/79/342752179.db2.gz RXLMFXSJKMYVCN-UHFFFAOYSA-N 0 0 227.691 2.163 50 0 BEAARN Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000004992561 342755996 /nfs/dbraw/zinc/75/59/96/342755996.db2.gz CKEKFQLHCAZGSP-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 in-vitro BEAARN N[C@H](c1ccco1)c1ccc2c(c1)OCCO2 ZINC000004997847 342756245 /nfs/dbraw/zinc/75/62/45/342756245.db2.gz MDZMAVNONYUYSJ-ZDUSSCGKSA-N 0 0 231.251 2.099 50 0 BEAARN CC(=O)N[C@@H](C)c1nc(-c2ccc(C)cc2)no1 ZINC000004998290 342756272 /nfs/dbraw/zinc/75/62/72/342756272.db2.gz QIWLAJPZRAKAIM-VIFPVBQESA-N 0 0 245.282 2.242 50 0 BEAARN N[C@@H](c1ccco1)c1ccc2c(c1)OCCO2 ZINC000004997846 342756291 /nfs/dbraw/zinc/75/62/91/342756291.db2.gz MDZMAVNONYUYSJ-CYBMUJFWSA-N 0 0 231.251 2.099 50 0 BEAARN Brc1nnc(Br)s1 ZINC000005003393 342756343 /nfs/dbraw/zinc/75/63/43/342756343.db2.gz MNHUBBRVPVSVCM-UHFFFAOYSA-N 0 0 243.911 2.063 50 0 BEAARN CC(=O)N[C@H](C)c1nc(-c2ccc(C)cc2)no1 ZINC000004998288 342756369 /nfs/dbraw/zinc/75/63/69/342756369.db2.gz QIWLAJPZRAKAIM-SECBINFHSA-N 0 0 245.282 2.242 50 0 BEAARN Cc1cc(=O)[nH]c(SCCc2ccccc2)n1 ZINC000005042734 342756830 /nfs/dbraw/zinc/75/68/30/342756830.db2.gz GKKCTDUIESJHKR-UHFFFAOYSA-N 0 0 246.335 2.413 50 0 BEAARN Cc1nc(C(=O)OC[C@H]2C[C@@H]2C)cs1 ZINC000170621290 361892314 /nfs/dbraw/zinc/89/23/14/361892314.db2.gz IUMXXYSIBNTITD-POYBYMJQSA-N 0 0 211.286 2.264 50 0 BEAARN Nc1ccccc1C(=O)NCc1ccc(F)cc1 ZINC000005051208 342757052 /nfs/dbraw/zinc/75/70/52/342757052.db2.gz VILBQFBHVKCQIZ-UHFFFAOYSA-N 0 0 244.269 2.338 50 0 BEAARN CC(C)CCc1cc(NC(=O)C2CC2)n(C)n1 ZINC000225553341 342757492 /nfs/dbraw/zinc/75/74/92/342757492.db2.gz ZBGUPBTVDSHDIP-UHFFFAOYSA-N 0 0 235.331 2.357 50 0 BEAARN CC(C)(C)C1=NO[C@]2(O)c3ccccc3C(=O)[C@@H]12 ZINC000005187164 342760005 /nfs/dbraw/zinc/76/00/05/342760005.db2.gz VTXNKJCYWOJRGL-IINYFYTJSA-N 0 0 245.278 2.077 50 0 BEAARN CCSC(=S)NC(=O)c1ccccc1 ZINC000005598928 342766720 /nfs/dbraw/zinc/76/67/20/342766720.db2.gz LTMQSLRMPYUAFH-UHFFFAOYSA-N 0 0 225.338 2.454 50 0 BEAARN COC(=O)CCCc1ccc(OC)cc1 ZINC000006018225 342772658 /nfs/dbraw/zinc/77/26/58/342772658.db2.gz FEZIYDSIDIJXQH-UHFFFAOYSA-N 0 0 208.257 2.191 50 0 BEAARN CCOc1ccccc1C1N=NC(=S)N1 ZINC000006499901 342778495 /nfs/dbraw/zinc/77/84/95/342778495.db2.gz DAAVINWNKVQDMO-UHFFFAOYSA-N 0 0 221.285 2.159 50 0 BEAARN S=c1ccc2nnc(-c3ccccc3)n2[nH]1 ZINC000006139932 342774415 /nfs/dbraw/zinc/77/44/15/342774415.db2.gz ZFSRIRQNMXGKGG-UHFFFAOYSA-N 0 0 228.280 2.080 50 0 BEAARN CC1(C)C(=O)C(C)(C)C12N=NC(C)(C)[S@@]2=O ZINC000006263391 342775892 /nfs/dbraw/zinc/77/58/92/342775892.db2.gz VXPWBFXELIXDQW-MRXNPFEDSA-N 0 0 242.344 2.268 50 0 BEAARN O=S(=O)(c1ccccc1F)N1CCCCC1 ZINC000006528719 342778996 /nfs/dbraw/zinc/77/89/96/342778996.db2.gz QQAIMWXLPOAROP-UHFFFAOYSA-N 0 0 243.303 2.000 50 0 BEAARN O=C([O-])c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000006681910 342780839 /nfs/dbraw/zinc/78/08/39/342780839.db2.gz XARCCBKWQPACEO-UHFFFAOYSA-N 0 0 249.310 2.250 50 0 in-vitro BEAARN O=C(c1ccc(F)cc1Cl)n1cccn1 ZINC000006699613 342781100 /nfs/dbraw/zinc/78/11/00/342781100.db2.gz ZZJRMOHBFIDUAG-UHFFFAOYSA-N 0 0 224.622 2.364 50 0 BEAARN Cc1cccc(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000006700466 342781138 /nfs/dbraw/zinc/78/11/38/342781138.db2.gz YOTYSDYGIPMBEM-STQMWFEESA-N 0 0 247.338 2.173 50 0 BEAARN O=C(c1ccncc1)N1CCCCCCC1 ZINC000006726304 342781557 /nfs/dbraw/zinc/78/15/57/342781557.db2.gz TXPFENHEVBGKLP-UHFFFAOYSA-N 0 0 218.300 2.488 50 0 BEAARN Cc1cc(C)cc(NC(=O)N2CCN(C)CC2)c1 ZINC000006729051 342781765 /nfs/dbraw/zinc/78/17/65/342781765.db2.gz LBOZZUJZCJPJQG-UHFFFAOYSA-N 0 0 247.342 2.083 50 0 BEAARN O=C(c1cccc(O)c1)N1CCCCC1 ZINC000006760627 342782599 /nfs/dbraw/zinc/78/25/99/342782599.db2.gz QBMGIYKRXFEBPF-UHFFFAOYSA-N 0 0 205.257 2.018 50 0 BEAARN CCCCOCCOC(=O)c1ccccc1O ZINC000001602737 342787756 /nfs/dbraw/zinc/78/77/56/342787756.db2.gz VFZSCCHTFKBBRO-UHFFFAOYSA-N 0 0 238.283 2.366 50 0 BEAARN CCCC(=O)NCc1nc2ccccc2n1CC ZINC000002721245 342791994 /nfs/dbraw/zinc/79/19/94/342791994.db2.gz WJRHKFLPGVKTQL-UHFFFAOYSA-N 0 0 245.326 2.473 50 0 BEAARN CCOc1ccc(C[NH2+]C2CC2)cc1OC ZINC000008324679 342797841 /nfs/dbraw/zinc/79/78/41/342797841.db2.gz BGTLOJVRNSXCAF-UHFFFAOYSA-N 0 0 221.300 2.346 50 0 BEAARN O=C(N1CCCCCC1)N1CCCSCC1 ZINC000127054777 342820048 /nfs/dbraw/zinc/82/00/48/342820048.db2.gz LXSNSAAUWNRNMO-UHFFFAOYSA-N 0 0 242.388 2.421 50 0 BEAARN CC(C)(C)OC(=O)COc1ccc(C=O)cc1 ZINC000010158000 342834480 /nfs/dbraw/zinc/83/44/80/342834480.db2.gz TZONEPGXYVZUKR-UHFFFAOYSA-N 0 0 236.267 2.220 50 0 BEAARN CSc1nc(C)c(C)n1C[C@@H]1CCCO1 ZINC000044868396 538990483 /nfs/dbraw/zinc/99/04/83/538990483.db2.gz VUQAYAQZQKTDIJ-JTQLQIEISA-N 0 0 226.345 2.401 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1COc2ccccc2C1 ZINC000047833513 539005953 /nfs/dbraw/zinc/00/59/53/539005953.db2.gz FDQNCMVCDPEIMF-MDZLAQPJSA-N 0 0 245.322 2.010 50 0 BEAARN O=C([O-])c1ccc(C[NH2+]C2CCCC2)cc1 ZINC000010474067 342836550 /nfs/dbraw/zinc/83/65/50/342836550.db2.gz AMHYJAQKBOHONB-UHFFFAOYSA-N 0 0 219.284 2.417 50 0 BEAARN CN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21 ZINC000011612460 342842092 /nfs/dbraw/zinc/84/20/92/342842092.db2.gz ICPLFAXXZDVXCN-UHFFFAOYSA-N 0 0 230.050 2.153 50 0 BEAARN CN(c1ccc(N)cn1)C1CCCCC1 ZINC000011757343 342843321 /nfs/dbraw/zinc/84/33/21/342843321.db2.gz NFYSXZBRDRIRER-UHFFFAOYSA-N 0 0 205.305 2.433 50 0 BEAARN O=C(n1ccnc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000065553051 539027825 /nfs/dbraw/zinc/02/78/25/539027825.db2.gz MEIKWCXMZCLBHN-VXGBXAGGSA-N 0 0 233.315 2.363 50 0 BEAARN Nc1cccc(-c2nc3cccnc3[nH]2)c1 ZINC000011919560 342844547 /nfs/dbraw/zinc/84/45/47/342844547.db2.gz YFFKNKVIPUKSDL-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN CCOc1cc2c(cc1OCC)CCN=C2 ZINC000011919521 342844633 /nfs/dbraw/zinc/84/46/33/342844633.db2.gz PZYMNOANTNPDAE-UHFFFAOYSA-N 0 0 219.284 2.459 50 0 BEAARN COC[C@@H](C)Nc1cccc(Cn2cccn2)c1 ZINC000053174295 398301850 /nfs/dbraw/zinc/30/18/50/398301850.db2.gz YKEXLMDTJCWFMZ-GFCCVEGCSA-N 0 0 245.326 2.378 50 0 BEAARN CCN(CC)C(=O)Cn1nc(C)c(Cl)c1C ZINC000032611130 342855381 /nfs/dbraw/zinc/85/53/81/342855381.db2.gz LCNLLJONZXCWGL-UHFFFAOYSA-N 0 0 243.738 2.022 50 0 BEAARN O=C(c1cc(Br)c[nH]1)N1CCCC1 ZINC000012924416 342861217 /nfs/dbraw/zinc/86/12/17/342861217.db2.gz KUHKMOJHPPUYRV-UHFFFAOYSA-N 0 0 243.104 2.013 50 0 BEAARN Cc1ccc(NCC(=O)NC2CC2)cc1Cl ZINC000012949965 342861718 /nfs/dbraw/zinc/86/17/18/342861718.db2.gz DMXCSBIBZXFKDH-UHFFFAOYSA-N 0 0 238.718 2.339 50 0 BEAARN Cc1ccc(O)c(C(=O)NC2CCCC2)c1 ZINC000012996361 342862598 /nfs/dbraw/zinc/86/25/98/342862598.db2.gz OSSCSLHTGVCDOH-UHFFFAOYSA-N 0 0 219.284 2.373 50 0 BEAARN O=C(c1cccnc1)n1cnc2ccccc21 ZINC000013233943 342865084 /nfs/dbraw/zinc/86/50/84/342865084.db2.gz MHMGFQFZJDJMJS-UHFFFAOYSA-N 0 0 223.235 2.120 50 0 BEAARN C[C@@H]1SC(=O)C[C@@H]1[C@]1(C)C=CC(=O)S1 ZINC000004419542 342865545 /nfs/dbraw/zinc/86/55/45/342865545.db2.gz KJHMPSABSLBBRF-BYULHYEWSA-N 0 0 228.338 2.243 50 0 BEAARN Cc1ccc(N[C@@H]2C[C@@H](C)NC(=S)N2)cc1 ZINC000013686446 342870517 /nfs/dbraw/zinc/87/05/17/342870517.db2.gz DTYOZCJJILFVHX-KOLCDFICSA-N 0 0 235.356 2.401 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccsc1 ZINC000032741262 342871712 /nfs/dbraw/zinc/87/17/12/342871712.db2.gz QIEVYYLQLIJXFZ-WCBMZHEXSA-N 0 0 209.314 2.363 50 0 BEAARN CCN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C1CC1 ZINC000032760928 342873226 /nfs/dbraw/zinc/87/32/26/342873226.db2.gz VMBNLEMVPLUQRC-FOSCPWQOSA-N 0 0 249.354 2.393 50 0 BEAARN C[C@@H](N(C)c1ncnc2c1cnn2C)C(C)(C)C ZINC000032779347 342874765 /nfs/dbraw/zinc/87/47/65/342874765.db2.gz AJZXKNDERCPEPH-SECBINFHSA-N 0 0 247.346 2.234 50 0 BEAARN Nc1cc(Br)cc(C2OCCO2)c1 ZINC000114191549 398309195 /nfs/dbraw/zinc/30/91/95/398309195.db2.gz ZWXDIAXNQUVUNY-UHFFFAOYSA-N 0 0 244.088 2.077 50 0 BEAARN CC(C)CNC(=O)c1cc(Cl)c[nH]1 ZINC000032819393 342879107 /nfs/dbraw/zinc/87/91/07/342879107.db2.gz KLOODVNVTVCEHM-UHFFFAOYSA-N 0 0 200.669 2.054 50 0 BEAARN O=C(c1ccc2ccccc2n1)N1CCC1 ZINC000015480495 342896805 /nfs/dbraw/zinc/89/68/05/342896805.db2.gz KRYPDYHOFZOYTG-UHFFFAOYSA-N 0 0 212.252 2.081 50 0 BEAARN COC[C@H](C)NC(=O)c1c(C)[nH]c2ccccc21 ZINC000032903713 342898909 /nfs/dbraw/zinc/89/89/09/342898909.db2.gz RFFCRQFHNGTBSM-VIFPVBQESA-N 0 0 246.310 2.241 50 0 BEAARN CN(CC(F)(F)F)C(=O)NC1CCCC1 ZINC000123855352 398312726 /nfs/dbraw/zinc/31/27/26/398312726.db2.gz JDCGRZDLOULWQY-UHFFFAOYSA-N 0 0 224.226 2.133 50 0 BEAARN CCOc1ccc(Br)nc1 ZINC000014982250 342890183 /nfs/dbraw/zinc/89/01/83/342890183.db2.gz RXVSMILQHDQEDM-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN CC(C)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000016015553 342904778 /nfs/dbraw/zinc/90/47/78/342904778.db2.gz HUXISJPAIIHNQX-UHFFFAOYSA-N 0 0 246.310 2.173 50 0 BEAARN Cc1cc(C(=O)NCC2CCCCC2)no1 ZINC000016602345 342913268 /nfs/dbraw/zinc/91/32/68/342913268.db2.gz CZVSOHFGNZNZQA-UHFFFAOYSA-N 0 0 222.288 2.293 50 0 BEAARN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000016604203 342913402 /nfs/dbraw/zinc/91/34/02/342913402.db2.gz NMBNFAXZHORCKQ-NXEZZACHSA-N 0 0 237.299 2.146 50 0 BEAARN c1ccc(CN=Nc2nncc3ccccc32)nc1 ZINC000254872512 398325671 /nfs/dbraw/zinc/32/56/71/398325671.db2.gz YUPZQTSEMUTFOX-UHFFFAOYSA-N 0 0 249.277 2.471 50 0 BEAARN CNc1snc(C)c1C(=O)NCC1CCC1 ZINC000031438550 398325743 /nfs/dbraw/zinc/32/57/43/398325743.db2.gz BRRIUNWALRGDFI-UHFFFAOYSA-N 0 0 239.344 2.023 50 0 BEAARN C[NH+](C)[C@H](C(=O)[O-])c1ccccc1Cl ZINC000016873056 342916306 /nfs/dbraw/zinc/91/63/06/342916306.db2.gz LIXFURHZDYVNLV-VIFPVBQESA-N 0 0 213.664 2.027 50 0 BEAARN CCOc1ccc(C(=O)OC)cc1OCC ZINC000016970777 342918103 /nfs/dbraw/zinc/91/81/03/342918103.db2.gz ILLNPVIYONXHGS-UHFFFAOYSA-N 0 0 224.256 2.271 50 0 BEAARN O=C1CCCc2c1nc(-c1ccccc1F)n2O ZINC000000494969 346877727 /nfs/dbraw/zinc/87/77/27/346877727.db2.gz UJZFSTLTDOXCIJ-UHFFFAOYSA-N 0 0 246.241 2.446 50 0 BEAARN Cc1nn(-c2ccccc2)c2[nH]c(C)cc(=O)c12 ZINC000018122408 342931992 /nfs/dbraw/zinc/93/19/92/342931992.db2.gz XUJOBJTYOMSLMR-UHFFFAOYSA-N 0 0 239.278 2.331 50 0 BEAARN CNc1ccc(C(=O)Nc2nc(C)cs2)cn1 ZINC000050722986 398333809 /nfs/dbraw/zinc/33/38/09/398333809.db2.gz KFUZQKXCHQIREQ-UHFFFAOYSA-N 0 0 248.311 2.141 50 0 BEAARN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000237391077 398333894 /nfs/dbraw/zinc/33/38/94/398333894.db2.gz IGHWJJMZCCCECV-YPMHNXCESA-N 0 0 233.311 2.339 50 0 BEAARN CSCc1nc(C2CC(F)(F)C2)no1 ZINC000296458998 398340629 /nfs/dbraw/zinc/34/06/29/398340629.db2.gz NRLDQDLUUMNBQY-UHFFFAOYSA-N 0 0 220.244 2.445 50 0 BEAARN C[C@H]1OC(=O)N2c3ccc(O)cc3CC[C@@H]12 ZINC000146571751 398341493 /nfs/dbraw/zinc/34/14/93/398341493.db2.gz PWTSSEKEPVZNIO-XCBNKYQSSA-N 0 0 219.240 2.052 50 0 BEAARN Cc1ccc(NC(=O)C2CCC2)cc1N ZINC000019430133 342948666 /nfs/dbraw/zinc/94/86/66/342948666.db2.gz SBQRYEAQTVBICJ-UHFFFAOYSA-N 0 0 204.273 2.316 50 0 BEAARN Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000019475051 342949159 /nfs/dbraw/zinc/94/91/59/342949159.db2.gz FLWWHTTZBXDGEQ-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN CSc1ccc(CN2CCOCC2)cc1 ZINC000019635108 342952927 /nfs/dbraw/zinc/95/29/27/342952927.db2.gz FXVHECYPVHHKFK-UHFFFAOYSA-N 0 0 223.341 2.241 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000019787898 342957958 /nfs/dbraw/zinc/95/79/58/342957958.db2.gz ZDXNEKQUNUDUPG-ZDUSSCGKSA-N 0 0 233.311 2.168 50 0 BEAARN Nc1cc(NC(=O)C2CC2)ccc1Cl ZINC000019736464 342955283 /nfs/dbraw/zinc/95/52/83/342955283.db2.gz WKWWWSHBJUBANY-UHFFFAOYSA-N 0 0 210.664 2.271 50 0 BEAARN CCOc1ccc(C2CC(=O)CC(=O)C2)cc1 ZINC000020176423 342974135 /nfs/dbraw/zinc/97/41/35/342974135.db2.gz CHMDXLOVGGCOIX-UHFFFAOYSA-N 0 0 232.279 2.491 50 0 BEAARN Cc1ccsc1C(=O)N[C@H](C)Cn1ccnc1 ZINC000042511227 362004752 /nfs/dbraw/zinc/00/47/52/362004752.db2.gz CAFKIPOJOMINOL-SNVBAGLBSA-N 0 0 249.339 2.072 50 0 BEAARN CC(C)(C)NC(=O)COc1ccc(F)cc1 ZINC000019935028 342963595 /nfs/dbraw/zinc/96/35/95/342963595.db2.gz JJJDREBDTGGPDI-UHFFFAOYSA-N 0 0 225.263 2.119 50 0 BEAARN Nc1cc(-c2ccc3c(c2)CCC3)no1 ZINC000020078658 342967917 /nfs/dbraw/zinc/96/79/17/342967917.db2.gz DTDNADPDZXJANA-UHFFFAOYSA-N 0 0 200.241 2.413 50 0 BEAARN COCc1noc(-c2ccc3ncccc3c2)n1 ZINC000020452964 342985678 /nfs/dbraw/zinc/98/56/78/342985678.db2.gz BVTBXJUNYLRNAN-UHFFFAOYSA-N 0 0 241.250 2.431 50 0 BEAARN Nc1cc(N2CCCC2=O)ccc1Cl ZINC000021948252 343028670 /nfs/dbraw/zinc/02/86/70/343028670.db2.gz HBHRGBJNYKUBGG-UHFFFAOYSA-N 0 0 210.664 2.049 50 0 BEAARN CC(C)C(=O)N[C@H]1CCc2ccccc21 ZINC000012946910 346918315 /nfs/dbraw/zinc/91/83/15/346918315.db2.gz AUUGTFHMADXWAJ-LBPRGKRZSA-N 0 0 203.285 2.446 50 0 BEAARN CCOC(=O)/C=C/c1cc(F)c(O)c(F)c1 ZINC000118594689 343050416 /nfs/dbraw/zinc/05/04/16/343050416.db2.gz FWOQDJIOLJLCRF-ONEGZZNKSA-N 0 0 228.194 2.247 50 0 BEAARN COC(=O)c1sccc1NC(=O)C=C(C)C ZINC000022833470 343055282 /nfs/dbraw/zinc/05/52/82/343055282.db2.gz BJMTYBMOZRPADP-UHFFFAOYSA-N 0 0 239.296 2.439 50 0 BEAARN Clc1ccc2c(c1)ncnc2-n1ccnc1 ZINC000023184943 343060730 /nfs/dbraw/zinc/06/07/30/343060730.db2.gz SUTOEIDKAOYJTG-UHFFFAOYSA-N 0 0 230.658 2.469 50 0 BEAARN COc1c2c[nH]nc2ccc1Br ZINC000023529014 343065658 /nfs/dbraw/zinc/06/56/58/343065658.db2.gz IZLZZNZOCDXQCP-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN O=C(CNc1ccc(F)c(Cl)c1)NC1CC1 ZINC000010219954 362015990 /nfs/dbraw/zinc/01/59/90/362015990.db2.gz KCXSZFAFLQKSML-UHFFFAOYSA-N 0 0 242.681 2.170 50 0 BEAARN CCCCC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000025011634 343083219 /nfs/dbraw/zinc/08/32/19/343083219.db2.gz USWGBDGLDHHGIT-UHFFFAOYSA-N 0 0 244.298 2.396 50 0 BEAARN Cc1occc1C(=O)NOCc1ccccc1 ZINC000025038504 343083837 /nfs/dbraw/zinc/08/38/37/343083837.db2.gz REPKIWTWTJJHRI-UHFFFAOYSA-N 0 0 231.251 2.450 50 0 BEAARN Cc1ccsc1CNC(=O)c1cnn(C)c1C ZINC000026000967 343099651 /nfs/dbraw/zinc/09/96/51/343099651.db2.gz WEBHUGCFDOZEEF-UHFFFAOYSA-N 0 0 249.339 2.028 50 0 BEAARN Nc1ccnc(Br)c1Cl ZINC000026459583 343105546 /nfs/dbraw/zinc/10/55/46/343105546.db2.gz PYLSHSLJQFMWOM-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN O=C(O[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000038867606 343109964 /nfs/dbraw/zinc/10/99/64/343109964.db2.gz DQJWAUDLUKISHH-VXGBXAGGSA-N 0 0 220.268 2.147 50 0 BEAARN Cc1ccsc1CNC(=O)c1cnc(C)cn1 ZINC000025678734 343094282 /nfs/dbraw/zinc/09/42/82/343094282.db2.gz UZOTYKRCSHRBHH-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cc1ccsc1CNC(=O)c1cccnc1 ZINC000025678415 343094360 /nfs/dbraw/zinc/09/43/60/343094360.db2.gz KPQHXUSUZRMXRV-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Cc1cc(C(=O)NCCc2cccs2)on1 ZINC000025717335 343095212 /nfs/dbraw/zinc/09/52/12/343095212.db2.gz BHBKYOAEADXFMB-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN Cc1ccc(C)c(OCC2N=NC(=S)N2)c1 ZINC000003886772 178491915 /nfs/dbraw/zinc/49/19/15/178491915.db2.gz DILNEKSYUKIWGV-UHFFFAOYSA-N 0 0 235.312 2.289 50 0 BEAARN CCOc1ncccc1NC(=O)c1cc(C)no1 ZINC000027515632 343117898 /nfs/dbraw/zinc/11/78/98/343117898.db2.gz XXXWFJPDCJFWHP-UHFFFAOYSA-N 0 0 247.254 2.029 50 0 BEAARN CC(C)(C)OC(=O)Nc1ncccc1N ZINC000039093472 343113540 /nfs/dbraw/zinc/11/35/40/343113540.db2.gz CIIDKKKSWTZUGB-UHFFFAOYSA-N 0 0 209.249 2.011 50 0 BEAARN Nc1cc(Cl)ncc1Br ZINC000029786621 343146599 /nfs/dbraw/zinc/14/65/99/343146599.db2.gz MGZWZNBANVSZLM-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CCc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000027906251 343125659 /nfs/dbraw/zinc/12/56/59/343125659.db2.gz HOXUNYYAZVMYEY-ONGXEEELSA-N 0 0 237.299 2.139 50 0 BEAARN Cc1ccsc1CNC(=O)c1ccccn1 ZINC000029235407 343137393 /nfs/dbraw/zinc/13/73/93/343137393.db2.gz RXIUWMNUJHAXRN-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN O=C(OCc1ccccc1)[C@@H]1CCCCC1=O ZINC000032151147 343230217 /nfs/dbraw/zinc/23/02/17/343230217.db2.gz UZOGMVJYLSQKCU-GFCCVEGCSA-N 0 0 232.279 2.489 50 0 BEAARN Cc1nn(C)cc1[C@H](C)Nc1nc(C)cc(C)n1 ZINC000032576456 343238207 /nfs/dbraw/zinc/23/82/07/343238207.db2.gz SHPZXVXGTLLPQA-JTQLQIEISA-N 0 0 245.330 2.308 50 0 BEAARN CCN(Cc1cccc(N)c1)C(=O)C(F)(F)F ZINC000032627120 343239019 /nfs/dbraw/zinc/23/90/19/343239019.db2.gz ZIXBGSZHILOFCT-UHFFFAOYSA-N 0 0 246.232 2.180 50 0 BEAARN Cc1occc1C(=O)N1CCC[C@@H](C)C1 ZINC000032747703 343241829 /nfs/dbraw/zinc/24/18/29/343241829.db2.gz PHAXTDFSYBLZCT-SECBINFHSA-N 0 0 207.273 2.460 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)n1cccn1 ZINC000032765522 343242120 /nfs/dbraw/zinc/24/21/20/343242120.db2.gz HCKLXEZRWMDWCU-NWDGAFQWSA-N 0 0 235.331 2.235 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000032907081 343243584 /nfs/dbraw/zinc/24/35/84/343243584.db2.gz CNPUNKIUFHUBDA-HZMBPMFUSA-N 0 0 245.322 2.247 50 0 BEAARN CCCCNC(=O)NCC(CC)(CC)CCO ZINC000072305568 343247996 /nfs/dbraw/zinc/24/79/96/343247996.db2.gz SOFCWOHBPOFFAT-UHFFFAOYSA-N 0 0 244.379 2.275 50 0 BEAARN COC(=O)c1cscc1Br ZINC000034069389 343264392 /nfs/dbraw/zinc/26/43/92/343264392.db2.gz MNOCCIFVTOUKEG-UHFFFAOYSA-N 0 0 221.075 2.297 50 0 BEAARN CCOc1cc2nccnc2cc1OCC ZINC000002860880 343269939 /nfs/dbraw/zinc/26/99/39/343269939.db2.gz MRBWUNZTSVLAOE-UHFFFAOYSA-N 0 0 218.256 2.427 50 0 BEAARN O=C(Oc1ccc(CO)c(O)c1)c1ccccc1 ZINC000000451341 343269960 /nfs/dbraw/zinc/26/99/60/343269960.db2.gz QOFIMXGDZYRUFZ-UHFFFAOYSA-N 0 0 244.246 2.104 50 0 BEAARN Cc1cc(C)n(CCc2ccc(C)nc2)n1 ZINC000001275763 343270679 /nfs/dbraw/zinc/27/06/79/343270679.db2.gz IOTQOKAXSKJSKR-UHFFFAOYSA-N 0 0 215.300 2.446 50 0 BEAARN CCOCP(=O)(COCC)COCC ZINC000003165253 343272892 /nfs/dbraw/zinc/27/28/92/343272892.db2.gz YJORHLSADGWEDD-UHFFFAOYSA-N 0 0 224.237 2.332 50 0 BEAARN Cc1c(C=O)c2ccccc2n1C[C@@H]1CO1 ZINC000034927129 343280962 /nfs/dbraw/zinc/28/09/62/343280962.db2.gz ODKRYFQSRACIJN-SNVBAGLBSA-N 0 0 215.252 2.161 50 0 BEAARN CC(C)(CO)Nc1ccc(Br)cn1 ZINC000035606571 343300041 /nfs/dbraw/zinc/30/00/41/343300041.db2.gz CESZUUDROCEANH-UHFFFAOYSA-N 0 0 245.120 2.027 50 0 BEAARN O=C([O-])[C@@H](c1ccc(O)cc1)[NH+]1CCCCCC1 ZINC000038086514 343369602 /nfs/dbraw/zinc/36/96/02/343369602.db2.gz KMCAFQUDBCUIJD-CYBMUJFWSA-N 0 0 249.310 2.394 50 0 BEAARN Cc1cc(CN2CCC[C@@](C)(F)C2)n(C)n1 ZINC000335631521 136300304 /nfs/dbraw/zinc/30/03/04/136300304.db2.gz APQMPZDAXNWIQL-GFCCVEGCSA-N 0 0 225.311 2.053 50 0 BEAARN Cc1cc(-c2nc3ccccc3n2C)c(=O)[nH]n1 ZINC000038342388 343374390 /nfs/dbraw/zinc/37/43/90/343374390.db2.gz AXCXJPGZMSSEOJ-UHFFFAOYSA-N 0 0 240.266 2.044 50 0 BEAARN COc1ccnc(C(=O)N(C(C)C)C(C)C)c1 ZINC000038534082 343376342 /nfs/dbraw/zinc/37/63/42/343376342.db2.gz YFXZFQIMLQYBCM-UHFFFAOYSA-N 0 0 236.315 2.349 50 0 BEAARN CCCc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000037409035 343344670 /nfs/dbraw/zinc/34/46/70/343344670.db2.gz KRSOVLHLLUQZRA-UHFFFAOYSA-N 0 0 214.268 2.389 50 0 BEAARN Cc1cc(-c2noc([C@@H](C)N)n2)ccc1F ZINC000037734549 343352894 /nfs/dbraw/zinc/35/28/94/343352894.db2.gz ISRCMEDVZCVWKO-SSDOTTSWSA-N 0 0 221.235 2.204 50 0 BEAARN NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000335687400 136323768 /nfs/dbraw/zinc/32/37/68/136323768.db2.gz BTCQNDAJZWDURL-BQBZGAKWSA-N 0 0 224.226 2.023 50 0 BEAARN C[C@H](C(=O)N(C)C1CCCCC1)n1cccn1 ZINC000040060206 343395339 /nfs/dbraw/zinc/39/53/39/343395339.db2.gz IRMBOXCNAORRMH-LLVKDONJSA-N 0 0 235.331 2.235 50 0 BEAARN Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1 ZINC000040162990 343397415 /nfs/dbraw/zinc/39/74/15/343397415.db2.gz CGEIKMTZUHUAQP-UHFFFAOYSA-N 0 0 241.298 2.044 50 0 BEAARN CSc1nnc(C(F)(F)F)s1 ZINC000040448242 343403672 /nfs/dbraw/zinc/40/36/72/343403672.db2.gz ULROOIOMHZXHRY-UHFFFAOYSA-N 0 0 200.210 2.279 50 0 BEAARN Nc1nc(Sc2ccccc2)ns1 ZINC000040541936 343406539 /nfs/dbraw/zinc/40/65/39/343406539.db2.gz UHIVUPYOCJTORR-UHFFFAOYSA-N 0 0 209.299 2.272 50 0 BEAARN O=C1CCCN1c1cccc(C2OCCCO2)c1 ZINC000040545886 343406646 /nfs/dbraw/zinc/40/66/46/343406646.db2.gz XFQOWIVKTCSQOE-UHFFFAOYSA-N 0 0 247.294 2.249 50 0 BEAARN O=c1[nH]c2cc(Cl)cc(Cl)c2o1 ZINC000040545271 343406660 /nfs/dbraw/zinc/40/66/60/343406660.db2.gz DKVHXBWSNGQUFE-UHFFFAOYSA-N 0 0 204.012 2.428 50 0 BEAARN O=C(c1ccc(F)cc1F)N1CCSCC1 ZINC000040542131 343406859 /nfs/dbraw/zinc/40/68/59/343406859.db2.gz BIVIHTYMBBFNGH-UHFFFAOYSA-N 0 0 243.278 2.154 50 0 BEAARN Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000041045912 343413687 /nfs/dbraw/zinc/41/36/87/343413687.db2.gz WLUQKEUGNJBYRE-QMMMGPOBSA-N 0 0 227.691 2.338 50 0 BEAARN Cc1ccc(CCC(=O)NC2CC2)cc1 ZINC000010434189 178525391 /nfs/dbraw/zinc/52/53/91/178525391.db2.gz RIJIGNFBMJKYLC-UHFFFAOYSA-N 0 0 203.285 2.206 50 0 BEAARN CC(C)c1cc(C(=O)NC(C)(C)C)[nH]n1 ZINC000048687816 343419140 /nfs/dbraw/zinc/41/91/40/343419140.db2.gz AKNGKGHNXXFRCM-UHFFFAOYSA-N 0 0 209.293 2.061 50 0 BEAARN Cc1ccc(CC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000006699898 178522065 /nfs/dbraw/zinc/52/20/65/178522065.db2.gz OSQAUKKBSOKXSO-JSGCOSHPSA-N 0 0 247.338 2.221 50 0 BEAARN N#CN(C[C@@H]1CCOC1)c1cccc(F)c1 ZINC000335850881 136355225 /nfs/dbraw/zinc/35/52/25/136355225.db2.gz WJKOVOVNCJHTQN-JTQLQIEISA-N 0 0 220.247 2.150 50 0 BEAARN CC(C)c1cc(C(=O)N2CCCCC2)no1 ZINC000013363753 362222130 /nfs/dbraw/zinc/22/21/30/362222130.db2.gz WCTAIEMQGHKJBK-UHFFFAOYSA-N 0 0 222.288 2.424 50 0 BEAARN Cc1c(F)cccc1NCc1ncc[nH]1 ZINC000043320491 343467720 /nfs/dbraw/zinc/46/77/20/343467720.db2.gz HGQONYHNFRSXKY-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN COC(=O)C[C@H](C)C(=O)c1cccc(OC)c1 ZINC000043368701 343468782 /nfs/dbraw/zinc/46/87/82/343468782.db2.gz LMTUVHAHYFSNBB-VIFPVBQESA-N 0 0 236.267 2.077 50 0 BEAARN COC(=O)CCn1cc(C=O)c2ccccc21 ZINC000044676230 343511465 /nfs/dbraw/zinc/51/14/65/343511465.db2.gz LOILJMOUXOONPO-UHFFFAOYSA-N 0 0 231.251 2.017 50 0 BEAARN CCN(Cc1ccccc1Cl)C(=O)COC ZINC000044909343 343519029 /nfs/dbraw/zinc/51/90/29/343519029.db2.gz OKZJCJYMYXLACJ-UHFFFAOYSA-N 0 0 241.718 2.335 50 0 BEAARN COC(=O)c1nc(N)ccc1-c1ccc(F)cc1 ZINC000047206572 343559074 /nfs/dbraw/zinc/55/90/74/343559074.db2.gz UEKZNHBKMXEBFZ-UHFFFAOYSA-N 0 0 246.241 2.257 50 0 BEAARN Clc1ccc(-c2n[nH]cc2-n2cncn2)cc1 ZINC000013545046 343566910 /nfs/dbraw/zinc/56/69/10/343566910.db2.gz CNXNXPQJIKJAGY-UHFFFAOYSA-N 0 0 245.673 2.311 50 0 BEAARN Fc1cc(F)c(Br)nc1F ZINC000049581119 343603148 /nfs/dbraw/zinc/60/31/48/343603148.db2.gz GTOTXPOTRNIDLC-UHFFFAOYSA-N 0 0 211.968 2.261 50 0 BEAARN Cc1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)cc1 ZINC000023185397 178561559 /nfs/dbraw/zinc/56/15/59/178561559.db2.gz IPTUTSLFWASAIY-GFCCVEGCSA-N 0 0 246.310 2.071 50 0 BEAARN CCCn1c2ccccc2c2cn[nH]c(=O)c21 ZINC000006721952 349827813 /nfs/dbraw/zinc/82/78/13/349827813.db2.gz QWUQHJHSHXAQOQ-UHFFFAOYSA-N 0 0 227.267 2.288 50 0 BEAARN CN1CC[C@H](SCCC(C)(C)C)C1=O ZINC000187557709 343743265 /nfs/dbraw/zinc/74/32/65/343743265.db2.gz OIZFMUFPWFUECV-VIFPVBQESA-N 0 0 215.362 2.387 50 0 BEAARN CC1(C)C[C@@H]1c1n[nH]c(=O)n1C1CCCC1 ZINC000065397810 343779479 /nfs/dbraw/zinc/77/94/79/343779479.db2.gz OFOCHUNYLMYIHP-SECBINFHSA-N 0 0 221.304 2.200 50 0 BEAARN Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1C ZINC000000547200 346997558 /nfs/dbraw/zinc/99/75/58/346997558.db2.gz LNRAQPTZXGSGLH-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN CC1=CCN(C(=O)[C@@H](C)CC(F)F)CC1 ZINC000334574297 343893615 /nfs/dbraw/zinc/89/36/15/343893615.db2.gz ARXOFPDVLJDKMR-VIFPVBQESA-N 0 0 217.259 2.456 50 0 BEAARN Cc1ccsc1C(=O)N(C)Cc1cn[nH]c1 ZINC000069763201 343943046 /nfs/dbraw/zinc/94/30/46/343943046.db2.gz CVJMDKYSEXVGGT-UHFFFAOYSA-N 0 0 235.312 2.052 50 0 BEAARN CC(C)[C@H](CNC(N)=O)Cc1ccccc1 ZINC000188918730 344099624 /nfs/dbraw/zinc/09/96/24/344099624.db2.gz MVOFZDGZVYIDSW-LBPRGKRZSA-N 0 0 220.316 2.170 50 0 BEAARN C=CC(=O)N[C@H](Cc1ccccc1)c1ncco1 ZINC000585141156 344173506 /nfs/dbraw/zinc/17/35/06/344173506.db2.gz QPPLZYVVURLEJW-GFCCVEGCSA-N 0 0 242.278 2.261 50 0 BEAARN Cc1ccc2c(Cn3ccnc3)cc(=O)oc2c1 ZINC000010809541 344149723 /nfs/dbraw/zinc/14/97/23/344149723.db2.gz JRRYTVPDQCQONO-UHFFFAOYSA-N 0 0 240.262 2.346 50 0 BEAARN Cc1cc(C(=O)N2CCc3ccccc3C2)no1 ZINC000004750560 344158933 /nfs/dbraw/zinc/15/89/33/344158933.db2.gz XTWAZGBZZQIVCT-UHFFFAOYSA-N 0 0 242.278 2.182 50 0 BEAARN Cc1nc(NCc2ccc(C)cc2)n[nH]1 ZINC000035684087 178641722 /nfs/dbraw/zinc/64/17/22/178641722.db2.gz UMLKUDHRUKEFGF-UHFFFAOYSA-N 0 0 202.261 2.034 50 0 BEAARN C[C@H](C(=O)N1CCCC1)c1ccsc1 ZINC000089913456 344263284 /nfs/dbraw/zinc/26/32/84/344263284.db2.gz BSLBQXCZRUFYEQ-VIFPVBQESA-N 0 0 209.314 2.474 50 0 BEAARN O=C(NCC(F)F)Nc1ccccc1 ZINC000072929449 344388329 /nfs/dbraw/zinc/38/83/29/344388329.db2.gz KRFHMOJWMINTQS-UHFFFAOYSA-N 0 0 200.188 2.073 50 0 BEAARN CCOc1ccccc1Nc1nc(O)cs1 ZINC000011637991 344395973 /nfs/dbraw/zinc/39/59/73/344395973.db2.gz ZIHUXCKOBAODIL-UHFFFAOYSA-N 0 0 236.296 2.127 50 0 BEAARN CCc1nc(C)c(C(=O)NCCc2ccco2)o1 ZINC000097681834 344401884 /nfs/dbraw/zinc/40/18/84/344401884.db2.gz XYLQRYPEHUBQEP-UHFFFAOYSA-N 0 0 248.282 2.111 50 0 BEAARN C[C@H]1CCC[C@H](OCC(=O)N2CCCC2)C1 ZINC000084689634 344461158 /nfs/dbraw/zinc/46/11/58/344461158.db2.gz NVTZYABFJBSWBE-RYUDHWBXSA-N 0 0 225.332 2.204 50 0 BEAARN CCNC(=O)N1CC(Cc2ccccc2F)C1 ZINC000072314334 344485751 /nfs/dbraw/zinc/48/57/51/344485751.db2.gz OXBPLLSWLLQEDS-UHFFFAOYSA-N 0 0 236.290 2.030 50 0 BEAARN Nc1nc(Cl)cc(N2CCC[C@@H]2C2CC2)n1 ZINC000115843649 347053797 /nfs/dbraw/zinc/05/37/97/347053797.db2.gz BUJFHGVTIFGUIZ-MRVPVSSYSA-N 0 0 238.722 2.091 50 0 BEAARN CCC1=NCC(=O)Nc2ccc(Cl)cc21 ZINC000000128536 344560096 /nfs/dbraw/zinc/56/00/96/344560096.db2.gz QIEVFKVVRXSZAY-UHFFFAOYSA-N 0 0 222.675 2.491 50 0 BEAARN Nc1nc2sc3ccccc3n2c(=S)n1 ZINC000000171488 344592396 /nfs/dbraw/zinc/59/23/96/344592396.db2.gz OJONYEFMXQBBJU-UHFFFAOYSA-N 0 0 234.309 2.256 50 0 BEAARN Cc1ccc(F)cc1CN1C(=O)C[C@@H](C)C1=O ZINC000187172166 178684067 /nfs/dbraw/zinc/68/40/67/178684067.db2.gz IGEOBNASZGNBDU-SECBINFHSA-N 0 0 235.258 2.029 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000046463987 344579079 /nfs/dbraw/zinc/57/90/79/344579079.db2.gz VKJJOBLEXOKIDS-SECBINFHSA-N 0 0 209.264 2.283 50 0 BEAARN Nc1c(Cl)cc(-c2nc[nH]n2)cc1Cl ZINC000095726840 347064940 /nfs/dbraw/zinc/06/49/40/347064940.db2.gz HJIBPVUTLSXJJI-UHFFFAOYSA-N 0 0 229.070 2.361 50 0 BEAARN O=C1NC2(CCCC2)Cc2ccccc21 ZINC000000231752 344652433 /nfs/dbraw/zinc/65/24/33/344652433.db2.gz DQVKLTQMWVRNOS-UHFFFAOYSA-N 0 0 201.269 2.285 50 0 BEAARN O=C1OCc2cc(Br)cc(F)c21 ZINC000113484731 344663200 /nfs/dbraw/zinc/66/32/00/344663200.db2.gz QYTXUNOXSJLDGB-UHFFFAOYSA-N 0 0 231.020 2.259 50 0 BEAARN Cc1nonc1NC(=O)OC1CCCCC1 ZINC000000265090 344668776 /nfs/dbraw/zinc/66/87/76/344668776.db2.gz JBLVHJLXXSGUHS-UHFFFAOYSA-N 0 0 225.248 2.259 50 0 BEAARN CC(C)CNC(=O)CSC1CCCC1 ZINC000060966001 344752481 /nfs/dbraw/zinc/75/24/81/344752481.db2.gz GCAFSVNGQDOOJY-UHFFFAOYSA-N 0 0 215.362 2.434 50 0 BEAARN CCSc1nnc(-c2ccc(N)cc2)n1C ZINC000000368115 344731763 /nfs/dbraw/zinc/73/17/63/344731763.db2.gz SRZZBSDUHPGGBF-UHFFFAOYSA-N 0 0 234.328 2.176 50 0 BEAARN Clc1ccc(OC[C@H]2COCCO2)cc1 ZINC000000312360 344691113 /nfs/dbraw/zinc/69/11/13/344691113.db2.gz LKTQYVWEEDMUBR-LLVKDONJSA-N 0 0 228.675 2.134 50 0 BEAARN Cc1ccc(CNC(=O)c2ccsc2)cn1 ZINC000048790735 344693827 /nfs/dbraw/zinc/69/38/27/344693827.db2.gz IBZMKTZVPSLRFU-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CC(C)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000024012960 344708522 /nfs/dbraw/zinc/70/85/22/344708522.db2.gz TVWTXCGVYRYCLS-CYBMUJFWSA-N 0 0 233.311 2.243 50 0 BEAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](O)CC1 ZINC000115495580 344710397 /nfs/dbraw/zinc/71/03/97/344710397.db2.gz XWYVCQSOGJIMPK-MGCOHNPYSA-N 0 0 229.320 2.062 50 0 BEAARN CC1=C2CCC[C@H]3C(=O)OC[C@@]23CCC1=O ZINC000000343227 344712658 /nfs/dbraw/zinc/71/26/58/344712658.db2.gz IZSYRAMVXJMYEW-GWCFXTLKSA-N 0 0 220.268 2.009 50 0 BEAARN CC1=C2CCC[C@@H]3C(=O)OC[C@@]23CCC1=O ZINC000000343230 344712792 /nfs/dbraw/zinc/71/27/92/344712792.db2.gz IZSYRAMVXJMYEW-MFKMUULPSA-N 0 0 220.268 2.009 50 0 BEAARN Cc1ccc(CNC(=O)c2cccnc2)cc1 ZINC000000344696 344714797 /nfs/dbraw/zinc/71/47/97/344714797.db2.gz MBVYUJOPDJCFJK-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cn1cccc1C(=O)NCCSC(C)(C)C ZINC000033628329 344881692 /nfs/dbraw/zinc/88/16/92/344881692.db2.gz SXGOEIWGAPWBRR-UHFFFAOYSA-N 0 0 240.372 2.287 50 0 BEAARN CSc1ccccc1N1CCOC1=O ZINC000005721374 347084776 /nfs/dbraw/zinc/08/47/76/347084776.db2.gz QHHDSFPXZLDHOQ-UHFFFAOYSA-N 0 0 209.270 2.365 50 0 BEAARN Cc1ccc(NCc2cnn(C)c2)cc1 ZINC000002536118 178767288 /nfs/dbraw/zinc/76/72/88/178767288.db2.gz UAEAAOLDPQVDFP-UHFFFAOYSA-N 0 0 201.273 2.341 50 0 BEAARN CC(C)(C)OC(=O)N1Cc2ccccc2CN1 ZINC000166617282 344943506 /nfs/dbraw/zinc/94/35/06/344943506.db2.gz FULUIUKVVTWQCX-UHFFFAOYSA-N 0 0 234.299 2.442 50 0 BEAARN CC(C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000169828255 345523622 /nfs/dbraw/zinc/52/36/22/345523622.db2.gz DIGVUBLVKWVYQR-UHFFFAOYSA-N 0 0 231.217 2.468 50 0 BEAARN CCN(CC)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000000429524 345631757 /nfs/dbraw/zinc/63/17/57/345631757.db2.gz LTVMKSIPSCOLSD-UHFFFAOYSA-N 0 0 236.315 2.316 50 0 BEAARN CCc1nc(C)cc(Sc2nccn2C)n1 ZINC000253415257 345648555 /nfs/dbraw/zinc/64/85/55/345648555.db2.gz WBWAPNHTGLDNDU-UHFFFAOYSA-N 0 0 234.328 2.232 50 0 BEAARN OC[C@H]1C=C[C@@H](Nc2nc3ccccc3o2)C1 ZINC000095963402 345686881 /nfs/dbraw/zinc/68/68/81/345686881.db2.gz SIODHBONGQMELM-VHSXEESVSA-N 0 0 230.267 2.177 50 0 BEAARN CCCN1c2ccccc2[C@H](C(N)=O)C[C@@H]1C ZINC000065462773 535004365 /nfs/dbraw/zinc/00/43/65/535004365.db2.gz JATCQMNAJOMXKN-CMPLNLGQSA-N 0 0 232.327 2.264 50 0 BEAARN OCc1ccc(COc2ccccn2)cc1 ZINC000113992033 345755714 /nfs/dbraw/zinc/75/57/14/345755714.db2.gz GXXQTRVXOOGJLH-UHFFFAOYSA-N 0 0 215.252 2.153 50 0 BEAARN Cc1occc1C(=O)Nc1nccs1 ZINC000000442575 345762658 /nfs/dbraw/zinc/76/26/58/345762658.db2.gz XSXADIVCRLCMQH-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN Cc1nc(C)c(C(=O)N2C[C@@H]3CC=CC[C@H]3C2)o1 ZINC000073990554 537911786 /nfs/dbraw/zinc/91/17/86/537911786.db2.gz MCUDEYSDUPZGRN-RYUDHWBXSA-N 0 0 246.310 2.330 50 0 BEAARN N#C[C@@H](CO)c1ccc(Br)cc1 ZINC000142055063 345855345 /nfs/dbraw/zinc/85/53/45/345855345.db2.gz YESFFTQXAPAXNY-QMMMGPOBSA-N 0 0 226.073 2.049 50 0 BEAARN COc1cc(NC(=O)[C@H]2C[C@H]2C)ccc1F ZINC000189446664 345825200 /nfs/dbraw/zinc/82/52/00/345825200.db2.gz SUQRMRFVNRPRNM-APPZFPTMSA-N 0 0 223.247 2.429 50 0 BEAARN CCOC(=O)c1c(OC)ccc(OC)c1F ZINC000144077445 345917200 /nfs/dbraw/zinc/91/72/00/345917200.db2.gz BSSKGOKOUAOHFE-UHFFFAOYSA-N 0 0 228.219 2.020 50 0 BEAARN O=C(Cc1cccc(O)c1)c1cc(O)ccc1O ZINC000144097046 345917250 /nfs/dbraw/zinc/91/72/50/345917250.db2.gz JCRGUEWEZXUNSR-UHFFFAOYSA-N 0 0 244.246 2.229 50 0 BEAARN CC(C)CCNc1ccnn1C[C@@H]1CCOC1 ZINC000190800000 345985843 /nfs/dbraw/zinc/98/58/43/345985843.db2.gz RHCZDOYMBSBWOK-LBPRGKRZSA-N 0 0 237.347 2.378 50 0 BEAARN Cc1cc([C@H]2CCCN2Cc2cnoc2)on1 ZINC000685945208 537934714 /nfs/dbraw/zinc/93/47/14/537934714.db2.gz ZEEVQNAWRMZPIT-LLVKDONJSA-N 0 0 233.271 2.308 50 0 BEAARN Cc1ccc2cnn(CCC(=O)NC(C)C)c2c1 ZINC000040758991 178972426 /nfs/dbraw/zinc/97/24/26/178972426.db2.gz ZHDFRCVCYFCXSR-UHFFFAOYSA-N 0 0 245.326 2.259 50 0 BEAARN Cc1cccc(-n2cnnc2C2CCOCC2)c1 ZINC000067954572 179001500 /nfs/dbraw/zinc/00/15/00/179001500.db2.gz VRACKTGRIWCOOH-UHFFFAOYSA-N 0 0 243.310 2.470 50 0 BEAARN Nc1n[nH]c(SCc2ccc(Cl)s2)n1 ZINC000034017655 346180386 /nfs/dbraw/zinc/18/03/86/346180386.db2.gz KSGZJCRDMJGCNX-UHFFFAOYSA-N 0 0 246.748 2.394 50 0 BEAARN Cc1cccc(C=C2SC(=O)NC2=O)c1 ZINC000002891729 179002759 /nfs/dbraw/zinc/00/27/59/179002759.db2.gz TURIRIIGEMCNAC-RMKNXTFCSA-N 0 0 219.265 2.319 50 0 BEAARN CONC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000167095075 346196012 /nfs/dbraw/zinc/19/60/12/346196012.db2.gz FSXVHLJWNXINFT-VHSXEESVSA-N 0 0 238.287 2.324 50 0 BEAARN Cc1csc(N(C)C(=O)c2cccc(C)n2)n1 ZINC000040548898 179005145 /nfs/dbraw/zinc/00/51/45/179005145.db2.gz RGLMGRCQXGNMLI-UHFFFAOYSA-N 0 0 247.323 2.432 50 0 BEAARN CCOc1ccc(C(=O)NC(C)C)cc1 ZINC000005465405 346233762 /nfs/dbraw/zinc/23/37/62/346233762.db2.gz BAKNOHIYRHDNQD-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN Cc1cccc(C(=O)N2CCCCC2)n1 ZINC000032909025 179006852 /nfs/dbraw/zinc/00/68/52/179006852.db2.gz YHWORYFOJFDLJB-UHFFFAOYSA-N 0 0 204.273 2.016 50 0 BEAARN CCC[C@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000005560755 346255707 /nfs/dbraw/zinc/25/57/07/346255707.db2.gz INSBYDPTVROSPB-NSHDSACASA-N 0 0 207.273 2.030 50 0 BEAARN CC[C@@H](C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000005576009 346259226 /nfs/dbraw/zinc/25/92/26/346259226.db2.gz MZTIDXRCGRYYCF-YIBTVLSRSA-N 0 0 237.343 2.297 50 0 BEAARN [O-][n+]1cc2sccc2c2ncccc21 ZINC000034410649 346267154 /nfs/dbraw/zinc/26/71/54/346267154.db2.gz VBGYREUJUJUJBU-UHFFFAOYSA-N 0 0 202.238 2.083 50 0 BEAARN Cc1occc1C(=O)N1CCC(C)CC1 ZINC000000474347 346271253 /nfs/dbraw/zinc/27/12/53/346271253.db2.gz MTNOTCUFAZCVAZ-UHFFFAOYSA-N 0 0 207.273 2.460 50 0 BEAARN Cc1cccc(C(=O)NCc2ccccc2)n1 ZINC000012553535 179020156 /nfs/dbraw/zinc/02/01/56/179020156.db2.gz HJTAVSMFNNVGAA-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN O=C1NC(=O)[C@H](c2ccccc2)c2ccccc21 ZINC000003133355 346296604 /nfs/dbraw/zinc/29/66/04/346296604.db2.gz KRIJGXCQQCPVIL-CYBMUJFWSA-N 0 0 237.258 2.089 50 0 BEAARN CCCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000000560915 168551575 /nfs/dbraw/zinc/55/15/75/168551575.db2.gz JYKZPMXXRNLVNV-UHFFFAOYSA-N 0 0 231.299 2.022 50 0 BEAARN Cc1cccc(C)c1NC(=O)CNC(=O)C(C)C ZINC000013020055 179040833 /nfs/dbraw/zinc/04/08/33/179040833.db2.gz MSJYKIMNVBVJPN-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN Cc1cccc(C)c1NC(=O)c1ccc[nH]c1=O ZINC000000001591 179042698 /nfs/dbraw/zinc/04/26/98/179042698.db2.gz WJDDCFNFNAHLAF-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 in-man BEAARN Cc1cccc(C)c1NC(=O)c1cnccn1 ZINC000000362364 179043642 /nfs/dbraw/zinc/04/36/42/179043642.db2.gz VGYNIOSTZKBKNR-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN Cc1cccc(C)c1OCCCN1CCOCC1 ZINC000019607330 179045970 /nfs/dbraw/zinc/04/59/70/179045970.db2.gz QAWWRUNXWXTRPQ-UHFFFAOYSA-N 0 0 249.354 2.405 50 0 BEAARN Cc1cc(N2CCC[C@H]3C[C@H]32)nc(C)n1 ZINC000585082687 537968573 /nfs/dbraw/zinc/96/85/73/537968573.db2.gz IIEYORZRMZJJMQ-WDEREUQCSA-N 0 0 203.289 2.082 50 0 BEAARN Cc1cccc(CC(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000013320068 179053279 /nfs/dbraw/zinc/05/32/79/179053279.db2.gz MVPYMUWRFGFCQJ-OCCSQVGLSA-N 0 0 247.338 2.221 50 0 BEAARN Cc1cccc(CCCOC(=O)C2=COCC2)n1 ZINC000096441948 179056355 /nfs/dbraw/zinc/05/63/55/179056355.db2.gz SXLBXRMMVYXYDX-UHFFFAOYSA-N 0 0 247.294 2.170 50 0 BEAARN COC[C@H](C)NC(=O)c1ccccc1Cl ZINC000000030954 346402859 /nfs/dbraw/zinc/40/28/59/346402859.db2.gz NPKZJPUWCDWLGK-QMMMGPOBSA-N 0 0 227.691 2.105 50 0 BEAARN CC(C)(C)CC(=O)NCc1ccccn1 ZINC000000030437 346403141 /nfs/dbraw/zinc/40/31/41/346403141.db2.gz MMWXQEWNOVIFPJ-UHFFFAOYSA-N 0 0 206.289 2.134 50 0 BEAARN Cc1cccc(C[NH+]2CCC(C(=O)[O-])CC2)c1 ZINC000003747669 179073613 /nfs/dbraw/zinc/07/36/13/179073613.db2.gz QRDJOEBTRLYMKT-UHFFFAOYSA-N 0 0 233.311 2.292 50 0 BEAARN CCCC(=O)N[C@H](C)CNc1ccccc1 ZINC000096475439 168557018 /nfs/dbraw/zinc/55/70/18/168557018.db2.gz JPBWHNJEUKFZTM-LLVKDONJSA-N 0 0 220.316 2.403 50 0 BEAARN CC(=O)N1c2ccccc2C(=C(C)C)C1=O ZINC000001512752 346448703 /nfs/dbraw/zinc/44/87/03/346448703.db2.gz XLXZNCGNLGUTFR-UHFFFAOYSA-N 0 0 215.252 2.373 50 0 BEAARN Cc1cccc(Cl)c1Nc1ncnc(N)n1 ZINC000000089342 179107607 /nfs/dbraw/zinc/10/76/07/179107607.db2.gz TZCURJOBXSQNLD-UHFFFAOYSA-N 0 0 235.678 2.159 50 0 BEAARN CCCCCNS(=O)(=O)c1ccc(F)cc1 ZINC000002058272 346493253 /nfs/dbraw/zinc/49/32/53/346493253.db2.gz HIIRLHVIPGFLGV-UHFFFAOYSA-N 0 0 245.319 2.294 50 0 BEAARN O=C(CN1CCCC1)Nc1ccccc1Cl ZINC000002859545 346534481 /nfs/dbraw/zinc/53/44/81/346534481.db2.gz LRJDGQWESRZVNX-UHFFFAOYSA-N 0 0 238.718 2.374 50 0 BEAARN CC(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)n(C)c1 ZINC000053495071 346540282 /nfs/dbraw/zinc/54/02/82/346540282.db2.gz XOXCYXXGSKWMJQ-SNVBAGLBSA-N 0 0 248.326 2.100 50 0 BEAARN Cc1cccc(N2C(=N)SCC2=O)c1C ZINC000004557758 179121225 /nfs/dbraw/zinc/12/12/25/179121225.db2.gz KCXPQKDQAVQMLN-UHFFFAOYSA-N 0 0 220.297 2.318 50 0 BEAARN Cn1cnnc1CSCCC(C)(C)C ZINC000187510730 346579721 /nfs/dbraw/zinc/57/97/21/346579721.db2.gz LQONUFAZEUAVEY-UHFFFAOYSA-N 0 0 213.350 2.485 50 0 BEAARN Cc1cccc(NC(=O)CCc2cccnc2)n1 ZINC000040472894 179127519 /nfs/dbraw/zinc/12/75/19/179127519.db2.gz WWSURMBUUWMKFR-UHFFFAOYSA-N 0 0 241.294 2.356 50 0 BEAARN Cc1cccc(NC(=O)NN2CCCC2)c1 ZINC000252483602 179134296 /nfs/dbraw/zinc/13/42/96/179134296.db2.gz FFVVOTPYMQLBGG-UHFFFAOYSA-N 0 0 219.288 2.127 50 0 BEAARN Cc1cccc(NC(=O)NC[C@H]2CCCO2)c1 ZINC000009254088 179134766 /nfs/dbraw/zinc/13/47/66/179134766.db2.gz XZZBYHHMCAUWCG-GFCCVEGCSA-N 0 0 234.299 2.296 50 0 BEAARN Cc1cccc(NC(=O)NCc2cn[nH]c2)c1 ZINC000037998808 179134907 /nfs/dbraw/zinc/13/49/07/179134907.db2.gz TWLSUCVTNFIUAR-UHFFFAOYSA-N 0 0 230.271 2.040 50 0 BEAARN Cc1ccc(CC(=O)N2CCCC2)cc1 ZINC000006478883 346649130 /nfs/dbraw/zinc/64/91/30/346649130.db2.gz QVMFSKRIPYEEMG-UHFFFAOYSA-N 0 0 203.285 2.160 50 0 BEAARN CCS(=O)(=O)Nc1ccc(OC)c(Cl)c1 ZINC000006726126 346655470 /nfs/dbraw/zinc/65/54/70/346655470.db2.gz TWVOZKZNCLHKMF-UHFFFAOYSA-N 0 0 249.719 2.110 50 0 BEAARN Cc1cccc(NC(=O)N2CCCC[C@@H]2CO)c1 ZINC000036794530 179131918 /nfs/dbraw/zinc/13/19/18/179131918.db2.gz PXCANVDNSQWVME-CYBMUJFWSA-N 0 0 248.326 2.374 50 0 BEAARN CONC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000167094969 346698198 /nfs/dbraw/zinc/69/81/98/346698198.db2.gz FSXVHLJWNXINFT-NXEZZACHSA-N 0 0 238.287 2.324 50 0 BEAARN CCCNc1ccc(-c2nc[nH]n2)cc1 ZINC000725242612 537985829 /nfs/dbraw/zinc/98/58/29/537985829.db2.gz MFSZRXHKPRARQX-UHFFFAOYSA-N 0 0 202.261 2.294 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000000362141 168564406 /nfs/dbraw/zinc/56/44/06/168564406.db2.gz FCOULOMSMQQQQY-UHFFFAOYSA-N 0 0 207.229 2.154 50 0 BEAARN Cc1cccc(OC(=O)c2ccnn2C)c1F ZINC000097236019 179162110 /nfs/dbraw/zinc/16/21/10/179162110.db2.gz PANFISNPCILHQM-UHFFFAOYSA-N 0 0 234.230 2.087 50 0 BEAARN Cc1cccc(OCCNC(=O)c2ccco2)c1 ZINC000023733538 179167478 /nfs/dbraw/zinc/16/74/78/179167478.db2.gz CZDPJBUFGRMUBK-UHFFFAOYSA-N 0 0 245.278 2.397 50 0 BEAARN Cc1cccc(OCc2nnc(N)s2)c1C ZINC000000052518 179172846 /nfs/dbraw/zinc/17/28/46/179172846.db2.gz QGXXUPNUTLOJFQ-UHFFFAOYSA-N 0 0 235.312 2.316 50 0 BEAARN c1nc(-c2ccc(NCC3CC3)cc2)n[nH]1 ZINC000725242504 537986852 /nfs/dbraw/zinc/98/68/52/537986852.db2.gz LRAGDALQIBWJGK-UHFFFAOYSA-N 0 0 214.272 2.294 50 0 BEAARN Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000246831843 179180867 /nfs/dbraw/zinc/18/08/67/179180867.db2.gz JQFVTMMGFKPIPX-DGCLKSJQSA-N 0 0 233.311 2.463 50 0 BEAARN CCCC(=O)Nc1nonc1-c1ccccc1 ZINC000005426197 168568045 /nfs/dbraw/zinc/56/80/45/168568045.db2.gz BWEDOMPQCVTPRC-UHFFFAOYSA-N 0 0 231.255 2.475 50 0 BEAARN Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2)n1 ZINC000001438258 179205257 /nfs/dbraw/zinc/20/52/57/179205257.db2.gz DAIKVIYFWDNQDB-CYBMUJFWSA-N 0 0 239.278 2.244 50 0 BEAARN O=C(NCCSCc1ccco1)C1CCC1 ZINC000004364747 347360643 /nfs/dbraw/zinc/36/06/43/347360643.db2.gz IOIDSZXAMCZODM-UHFFFAOYSA-N 0 0 239.340 2.429 50 0 BEAARN CCS(=O)(=O)N[C@H](c1ccccc1)C1CC1 ZINC000048904386 347449365 /nfs/dbraw/zinc/44/93/65/347449365.db2.gz OYSKLLSDMGYLTM-GFCCVEGCSA-N 0 0 239.340 2.077 50 0 BEAARN Cc1ccccc1-c1nnc([C@H](C)N)o1 ZINC000011586081 179240310 /nfs/dbraw/zinc/24/03/10/179240310.db2.gz SPXSCCMLXDRMEW-QMMMGPOBSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1nn(-c2ccccc2C)c(C)c1N ZINC000032010016 179242699 /nfs/dbraw/zinc/24/26/99/179242699.db2.gz FKHZEHDLOJPUIC-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000004679140 168572515 /nfs/dbraw/zinc/57/25/15/168572515.db2.gz XSWZTOLEGWPAAA-UHFFFAOYSA-N 0 0 206.241 2.441 50 0 BEAARN Cc1ccccc1C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000045523725 179248256 /nfs/dbraw/zinc/24/82/56/179248256.db2.gz IIICNVPJOBTBDZ-NWDGAFQWSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1ccccc1C(=O)NCCc1cccnc1 ZINC000032348116 179249505 /nfs/dbraw/zinc/24/95/05/179249505.db2.gz IICXBNVIXZUMEQ-UHFFFAOYSA-N 0 0 240.306 2.363 50 0 BEAARN Cc1ccccc1C(=O)NCC1(O)CCCC1 ZINC000036110391 179249545 /nfs/dbraw/zinc/24/95/45/179249545.db2.gz HOLJMWCWGIMFQG-UHFFFAOYSA-N 0 0 233.311 2.030 50 0 BEAARN Cc1ccccc1C1(O)CCC(=O)CC1 ZINC000071774072 179254806 /nfs/dbraw/zinc/25/48/06/179254806.db2.gz TZQMWBUGUFLHJT-UHFFFAOYSA-N 0 0 204.269 2.326 50 0 BEAARN O=Cc1nc2ccccc2nc1Br ZINC000196345093 347500049 /nfs/dbraw/zinc/50/00/49/347500049.db2.gz OBMPSZQDMGESNY-UHFFFAOYSA-N 0 0 237.056 2.205 50 0 BEAARN Cc1ccccc1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000013322947 179257700 /nfs/dbraw/zinc/25/77/00/179257700.db2.gz AVBJARZCHSJAGS-CHWSQXEVSA-N 0 0 247.338 2.173 50 0 BEAARN Cc1nnc([C@H](C)NCc2ccc(F)c(C)c2)[nH]1 ZINC000392477976 347573213 /nfs/dbraw/zinc/57/32/13/347573213.db2.gz XJJFMNDWMNUSRZ-VIFPVBQESA-N 0 0 248.305 2.411 50 0 BEAARN Cc1ccccc1CC(=O)NC(C)(C)C ZINC000006698191 179257316 /nfs/dbraw/zinc/25/73/16/179257316.db2.gz PGLHHTFULMQUIN-UHFFFAOYSA-N 0 0 205.301 2.452 50 0 BEAARN O=C(c1ccncc1)N1CCc2sccc2C1 ZINC000012215402 347637284 /nfs/dbraw/zinc/63/72/84/347637284.db2.gz ROPJPOVVYGFUNR-UHFFFAOYSA-N 0 0 244.319 2.342 50 0 BEAARN Cc1ccccc1CCNC(=O)c1ccc[nH]1 ZINC000048237154 179265878 /nfs/dbraw/zinc/26/58/78/179265878.db2.gz LJQKBWYDNNAYNH-UHFFFAOYSA-N 0 0 228.295 2.296 50 0 BEAARN COCCN(C(=O)CC1CC1)[C@H]1CC[C@@H](C)C1 ZINC000195580186 347642407 /nfs/dbraw/zinc/64/24/07/347642407.db2.gz GFCAHIYJZZLGMT-YPMHNXCESA-N 0 0 239.359 2.450 50 0 BEAARN Cc1nccc(N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000195571347 347647962 /nfs/dbraw/zinc/64/79/62/347647962.db2.gz OYONPRZLJFRHHT-LBPRGKRZSA-N 0 0 243.314 2.240 50 0 BEAARN Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000006451551 179274553 /nfs/dbraw/zinc/27/45/53/179274553.db2.gz PMQYQFAXHRNQCW-CYBMUJFWSA-N 0 0 233.311 2.292 50 0 BEAARN CC1(C(=O)NC2(C3CCCCC3)CC2)COC1 ZINC000534576022 323153661 /nfs/dbraw/zinc/15/36/61/323153661.db2.gz RPAYGWYRPRQOJE-UHFFFAOYSA-N 0 0 237.343 2.252 50 0 BEAARN Cc1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000001456893 179301771 /nfs/dbraw/zinc/30/17/71/179301771.db2.gz SNZMZAJJWCIAGD-NSHDSACASA-N 0 0 205.257 2.113 50 0 BEAARN Cc1nnc(CNc2ccccc2C)n1C ZINC000035696050 179305532 /nfs/dbraw/zinc/30/55/32/179305532.db2.gz WKRZMKLGTLWPHQ-UHFFFAOYSA-N 0 0 216.288 2.044 50 0 BEAARN Cc1ccccc1NC(=O)/C=C\c1ccnn1C ZINC000098054557 179296966 /nfs/dbraw/zinc/29/69/66/179296966.db2.gz MLROYVCZHWHOME-FPLPWBNLSA-N 0 0 241.294 2.380 50 0 BEAARN Cc1ccccc1NC(=O)CN1CCCCC1 ZINC000000051206 179299505 /nfs/dbraw/zinc/29/95/05/179299505.db2.gz LWJQUXGMHVZDSY-UHFFFAOYSA-N 0 0 232.327 2.419 50 0 BEAARN Cc1ccccc1OCC(=O)NCc1ccco1 ZINC000000041451 179309020 /nfs/dbraw/zinc/30/90/20/179309020.db2.gz NEKKLGHZMRERRK-UHFFFAOYSA-N 0 0 245.278 2.283 50 0 BEAARN Cc1ccccc1OCC(=O)Nc1nccs1 ZINC000000040632 179309892 /nfs/dbraw/zinc/30/98/92/179309892.db2.gz WEFSOMPWRRAXJN-UHFFFAOYSA-N 0 0 248.307 2.469 50 0 BEAARN Cc1c[nH]cc1C(=O)N1CCC(CF)CC1 ZINC000334545050 133708955 /nfs/dbraw/zinc/70/89/55/133708955.db2.gz VCLFEVWATHWJKQ-UHFFFAOYSA-N 0 0 224.279 2.145 50 0 BEAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccon1 ZINC000016605512 179312673 /nfs/dbraw/zinc/31/26/73/179312673.db2.gz PLKCVAHHWIKMKY-JTQLQIEISA-N 0 0 246.266 2.389 50 0 BEAARN Cc1ccncc1-n1ncc2cccnc21 ZINC000065405776 229604036 /nfs/dbraw/zinc/60/40/36/229604036.db2.gz UZXVVMGPBBQXLR-UHFFFAOYSA-N 0 0 210.240 2.124 50 0 BEAARN Cc1ccn(-c2cccc(-n3ccc(C)n3)n2)n1 ZINC000000384755 179399430 /nfs/dbraw/zinc/39/94/30/179399430.db2.gz RAIXXDUNEZBGDR-UHFFFAOYSA-N 0 0 239.282 2.070 50 0 BEAARN Cc1ccnc(N2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000095408709 179434647 /nfs/dbraw/zinc/43/46/47/179434647.db2.gz AEYJDYWKNNZNCR-VXGBXAGGSA-N 0 0 217.316 2.411 50 0 BEAARN Cc1ccoc1C(=O)N1CCOC2(CCCC2)C1 ZINC000095422751 179504621 /nfs/dbraw/zinc/50/46/21/179504621.db2.gz OXLGPZQTMBCDPC-UHFFFAOYSA-N 0 0 249.310 2.373 50 0 BEAARN Cc1cn2c(nnc2-c2cccnc2)s1 ZINC000000206167 179561282 /nfs/dbraw/zinc/56/12/82/179561282.db2.gz DIIMYQKHHIANFX-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1cnc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000084258208 179571561 /nfs/dbraw/zinc/57/15/61/179571561.db2.gz SMUXLIXJKADXCD-YPMHNXCESA-N 0 0 245.326 2.190 50 0 BEAARN Cc1cncc(NC(=O)CC(F)(F)F)c1 ZINC000267462613 179676339 /nfs/dbraw/zinc/67/63/39/179676339.db2.gz SXAGZESBQUAUPM-UHFFFAOYSA-N 0 0 218.178 2.281 50 0 BEAARN CC[C@]1(C(=O)OC)OC12CCC(C)CC2 ZINC000669384356 538014906 /nfs/dbraw/zinc/01/49/06/538014906.db2.gz ULLAAWLYYJEILM-QEWOUOOISA-N 0 0 212.289 2.287 50 0 BEAARN C[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(F)cn1 ZINC000113630089 348936224 /nfs/dbraw/zinc/93/62/24/348936224.db2.gz BAWJTWRNDKQESC-VPTHRUTESA-N 0 0 244.335 2.334 50 0 BEAARN CC(C)(C)c1ccc([C@H]([NH3+])C(=O)[O-])s1 ZINC000000191910 187407866 /nfs/dbraw/zinc/40/78/66/187407866.db2.gz XBWDLTVOXPCHEE-QMMMGPOBSA-N 0 0 213.302 2.130 50 0 BEAARN COC(=O)c1ccc(OC(F)F)cc1 ZINC000002534318 187410269 /nfs/dbraw/zinc/41/02/69/187410269.db2.gz VAAWCCULYWEXPM-UHFFFAOYSA-N 0 0 202.156 2.075 50 0 BEAARN Cc1cc(N)n(-c2ccccc2Cl)n1 ZINC000004299195 187411315 /nfs/dbraw/zinc/41/13/15/187411315.db2.gz NEKHWUVVKRUUIT-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN Cc1cc(N)cc(-c2nc3ncccc3o2)c1O ZINC000004736806 187411468 /nfs/dbraw/zinc/41/14/68/187411468.db2.gz LNSRMOBYQWHLQT-UHFFFAOYSA-N 0 0 241.250 2.486 50 0 BEAARN CN(C)c1cc(C(=O)NC2CCCCC2)ccn1 ZINC000040088415 187427270 /nfs/dbraw/zinc/42/72/70/187427270.db2.gz ZSEYXQSBJFIGIG-UHFFFAOYSA-N 0 0 247.342 2.210 50 0 BEAARN Cc1csc(NC(=O)c2cccn2C)n1 ZINC000003369788 179788739 /nfs/dbraw/zinc/78/87/39/179788739.db2.gz YCDXNRUAJIQLMQ-UHFFFAOYSA-N 0 0 221.285 2.042 50 0 BEAARN Cc1csc(SCc2nnc(C)o2)n1 ZINC000040159251 179792150 /nfs/dbraw/zinc/79/21/50/179792150.db2.gz WPGLAWJGYUYPLO-UHFFFAOYSA-N 0 0 227.314 2.435 50 0 BEAARN CCc1ccccc1NC(=O)C(=O)N[C@H](C)CC ZINC000010327118 190972046 /nfs/dbraw/zinc/97/20/46/190972046.db2.gz SHEZFFPBPMNUOR-SNVBAGLBSA-N 0 0 248.326 2.102 50 0 BEAARN Cc1nc(-c2cc3cccc(C)c3[nH]c2=O)no1 ZINC000005818565 179862457 /nfs/dbraw/zinc/86/24/57/179862457.db2.gz ZDXNSMWXQVMSPO-UHFFFAOYSA-N 0 0 241.250 2.195 50 0 BEAARN Cn1ccc(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000014903636 349262636 /nfs/dbraw/zinc/26/26/36/349262636.db2.gz BNFAKHPPVXAUAC-UHFFFAOYSA-N 0 0 249.701 2.255 50 0 BEAARN BrC1=NO[C@H](c2ccccn2)C1 ZINC000030678687 190983481 /nfs/dbraw/zinc/98/34/81/190983481.db2.gz RFOXEJQCVRQUFN-ZETCQYMHSA-N 0 0 227.061 2.251 50 0 BEAARN Cc1nc(C(F)(F)F)c(-c2nc[nH]n2)s1 ZINC000002557485 179897765 /nfs/dbraw/zinc/89/77/65/179897765.db2.gz WGGLFBHKWDZGCX-UHFFFAOYSA-N 0 0 234.206 2.255 50 0 BEAARN Cc1nc(-c2ccccc2)ccc1C(N)=O ZINC000021989915 179866673 /nfs/dbraw/zinc/86/66/73/179866673.db2.gz VCWBUMFUHLAWES-UHFFFAOYSA-N 0 0 212.252 2.156 50 0 BEAARN Cc1nc(-c2ccccc2)sc1C(N)=O ZINC000000169448 179867644 /nfs/dbraw/zinc/86/76/44/179867644.db2.gz HGWKKGLUWKNUOF-UHFFFAOYSA-N 0 0 218.281 2.217 50 0 BEAARN Cc1nc(-c2nc([C@@H]3CCOC3)no2)cs1 ZINC000096136499 179871284 /nfs/dbraw/zinc/87/12/84/179871284.db2.gz LRELFJXAUICVLR-SSDOTTSWSA-N 0 0 237.284 2.005 50 0 BEAARN C/C(=C/c1ccccc1)CN(C)Cc1nc[nH]n1 ZINC000255193075 349366071 /nfs/dbraw/zinc/36/60/71/349366071.db2.gz SWOZNTUCRURKQF-WQLSENKSSA-N 0 0 242.326 2.340 50 0 BEAARN Cc1cccc(C(=O)N[C@@H]2CC23CC3)c1F ZINC000335118405 133783097 /nfs/dbraw/zinc/78/30/97/133783097.db2.gz SKXPCUIEBWRUKW-SNVBAGLBSA-N 0 0 219.259 2.416 50 0 BEAARN Nc1cc(Cl)ccc1C(=O)[C@@H]1CCOC1 ZINC000083053400 190995432 /nfs/dbraw/zinc/99/54/32/190995432.db2.gz UEMASCOGUDXJOE-SSDOTTSWSA-N 0 0 225.675 2.141 50 0 BEAARN CC[C@H]1CC(=O)NCc2nc3cc(C)ccn3c21 ZINC000065504158 191001829 /nfs/dbraw/zinc/00/18/29/191001829.db2.gz TWJLNPQBXWZKJS-JTQLQIEISA-N 0 0 243.310 2.156 50 0 BEAARN CC1=CC(=O)C(=O)Nc2ccccc2N1 ZINC000379696305 323240825 /nfs/dbraw/zinc/24/08/25/323240825.db2.gz KVHJAMCPYRNQQK-UHFFFAOYSA-N 0 0 202.213 2.173 50 0 BEAARN Cc1nc(CNc2cccnc2)cs1 ZINC000020252815 179976933 /nfs/dbraw/zinc/97/69/33/179976933.db2.gz CQWOITUIDNHVGQ-UHFFFAOYSA-N 0 0 205.286 2.459 50 0 BEAARN Cc1nc(CSc2ncc[nH]2)cs1 ZINC000098013840 179982227 /nfs/dbraw/zinc/98/22/27/179982227.db2.gz ONWCIFBDZPVJHK-UHFFFAOYSA-N 0 0 211.315 2.467 50 0 BEAARN CCCC(=O)OCCc1scnc1C ZINC000021999704 350062171 /nfs/dbraw/zinc/06/21/71/350062171.db2.gz GDRZNYCKSKHESZ-UHFFFAOYSA-N 0 0 213.302 2.337 50 0 endogenous,in-man BEAARN Cc1nc(N2CCCCC2)sc1C=O ZINC000003287148 180001022 /nfs/dbraw/zinc/00/10/22/180001022.db2.gz VMRLGMBBXTUOSO-UHFFFAOYSA-N 0 0 210.302 2.254 50 0 BEAARN Cc1nc(NCc2cc3ccccc3o2)n(C)n1 ZINC000170596935 180020980 /nfs/dbraw/zinc/02/09/80/180020980.db2.gz CMROKSBBEVLQTD-UHFFFAOYSA-N 0 0 242.282 2.482 50 0 BEAARN Cc1nc2ncccc2c(N[C@@H]2CCSC2)n1 ZINC000095366097 180023414 /nfs/dbraw/zinc/02/34/14/180023414.db2.gz DNMNIVHETWIMOP-SECBINFHSA-N 0 0 246.339 2.251 50 0 BEAARN CC(C)CC(=O)Nc1c2c(nn1C)CSC2 ZINC000604419039 350127462 /nfs/dbraw/zinc/12/74/62/350127462.db2.gz OGMFMAGULOKTPU-UHFFFAOYSA-N 0 0 239.344 2.152 50 0 BEAARN Fc1ccc(-c2cn3c(n2)COCC3)cc1 ZINC000219461385 350127562 /nfs/dbraw/zinc/12/75/62/350127562.db2.gz KKFJCMMODSEUDC-UHFFFAOYSA-N 0 0 218.231 2.219 50 0 BEAARN Cc1nc([C@H](C)NC(=O)c2ccc[nH]2)cs1 ZINC000019939063 180049584 /nfs/dbraw/zinc/04/95/84/180049584.db2.gz NAIMGSUKAGEQNT-ZETCQYMHSA-N 0 0 235.312 2.271 50 0 BEAARN Cc1nc2[nH]ccc2nc1Br ZINC000072338620 180059239 /nfs/dbraw/zinc/05/92/39/180059239.db2.gz DKJPISUROVINRP-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1nc2cncc(Br)c2[nH]1 ZINC000042750019 180060968 /nfs/dbraw/zinc/06/09/68/180060968.db2.gz HKJYIFKUFHLIMN-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1nc2c(Cl)nccn2c1Br ZINC000095707519 180063959 /nfs/dbraw/zinc/06/39/59/180063959.db2.gz NRKMUXRBIBCNJJ-UHFFFAOYSA-N 0 0 246.495 2.454 50 0 BEAARN Cc1nc2c3ccccc3oc2c(=O)o1 ZINC000004039918 180071875 /nfs/dbraw/zinc/07/18/75/180071875.db2.gz UMUUTEZBWGDVDA-UHFFFAOYSA-N 0 0 201.181 2.243 50 0 biogenic BEAARN Cc1nc2ccc(NC(=O)N(C)C)cc2nc1C ZINC000000780580 180093864 /nfs/dbraw/zinc/09/38/64/180093864.db2.gz QUKRTAUHFNEUNN-UHFFFAOYSA-N 0 0 244.298 2.340 50 0 BEAARN Cc1nc2ccccn2c1C(=O)NC1CCCC1 ZINC000000289650 180106104 /nfs/dbraw/zinc/10/61/04/180106104.db2.gz HYDICXCSGPQKDP-UHFFFAOYSA-N 0 0 243.310 2.315 50 0 BEAARN Cc1nc2ncc(Br)cc2o1 ZINC000064033623 180114519 /nfs/dbraw/zinc/11/45/19/180114519.db2.gz WMFQSNQAZSEQQE-UHFFFAOYSA-N 0 0 213.034 2.294 50 0 BEAARN Cc1nc2[nH]c3ccccc3n2c(=O)c1C ZINC000102885320 180114660 /nfs/dbraw/zinc/11/46/60/180114660.db2.gz WTRYDZHUFORXGE-UHFFFAOYSA-N 0 0 213.240 2.205 50 0 BEAARN Cc1nc2ccccc2n1CC(=O)OC(C)C ZINC000008701345 180104646 /nfs/dbraw/zinc/10/46/46/180104646.db2.gz CKVOHOUXTXMBTI-UHFFFAOYSA-N 0 0 232.283 2.296 50 0 BEAARN CCCCSC[C@@H](O)COC(C)C ZINC000023115045 350174283 /nfs/dbraw/zinc/17/42/83/350174283.db2.gz MZIAMDGKNSDQNX-JTQLQIEISA-N 0 0 206.351 2.306 50 0 BEAARN Brc1ncccc1N1CCCC1 ZINC000095081074 191054484 /nfs/dbraw/zinc/05/44/84/191054484.db2.gz YSKABBMJIKLVNG-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Cc1nc2nccc(-c3cccs3)n2n1 ZINC000039593897 180115318 /nfs/dbraw/zinc/11/53/18/180115318.db2.gz ABZLIQTWYMVJIL-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1nc2nccc(-c3ccsc3)n2n1 ZINC000057530930 180116126 /nfs/dbraw/zinc/11/61/26/180116126.db2.gz QXVONZAQYAWCKE-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1nc2sc3c(c2c(=O)o1)CCC3 ZINC000000083212 180117503 /nfs/dbraw/zinc/11/75/03/180117503.db2.gz PGKSCHJJGGOMPM-UHFFFAOYSA-N 0 0 207.254 2.047 50 0 BEAARN Cc1[nH]cnc1-c1nccn1Cc1ccco1 ZINC000067458280 180120110 /nfs/dbraw/zinc/12/01/10/180120110.db2.gz JXOGMOXLEQOPPR-UHFFFAOYSA-N 0 0 228.255 2.223 50 0 BEAARN CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000041173403 191064496 /nfs/dbraw/zinc/06/44/96/191064496.db2.gz IFMUENAFBDIBOI-GFCCVEGCSA-N 0 0 239.702 2.260 50 0 BEAARN CC[C@H]1CC(=O)NCc2nc3sc(C)cn3c21 ZINC000065371100 187440913 /nfs/dbraw/zinc/44/09/13/187440913.db2.gz BBVCPOHCMAPPQS-QMMMGPOBSA-N 0 0 249.339 2.218 50 0 BEAARN CCc1ccc(C2=Nn3cnnc3SC2)cc1 ZINC000032604020 350205682 /nfs/dbraw/zinc/20/56/82/350205682.db2.gz APZFMMHSSNCYOR-UHFFFAOYSA-N 0 0 244.323 2.199 50 0 BEAARN Cc1occc1C(=O)N(C)Cc1ccco1 ZINC000032748006 350207795 /nfs/dbraw/zinc/20/77/95/350207795.db2.gz XXYZTXPGGYXEGI-UHFFFAOYSA-N 0 0 219.240 2.453 50 0 BEAARN Cc1nccc(NC[C@]2(O)CCCC2(C)C)n1 ZINC000292644732 180200938 /nfs/dbraw/zinc/20/09/38/180200938.db2.gz BGHWJORJVAGMKC-CYBMUJFWSA-N 0 0 235.331 2.138 50 0 BEAARN CC(=O)Nc1cc(C)c(C(C)=O)c(C)c1 ZINC000068561946 187441510 /nfs/dbraw/zinc/44/15/10/187441510.db2.gz YMZYXRXAOBGMQY-UHFFFAOYSA-N 0 0 205.257 2.464 50 0 BEAARN Cc1ncc2c(c1C(N)=S)CCCCC2 ZINC000072447006 180177579 /nfs/dbraw/zinc/17/75/79/180177579.db2.gz QZWPZGBMGFBCEJ-UHFFFAOYSA-N 0 0 220.341 2.293 50 0 BEAARN Cc1nccc(-c2ccc3c(c2)OCO3)n1 ZINC000001390262 180179690 /nfs/dbraw/zinc/17/96/90/180179690.db2.gz VDVQZCVGMOLQIG-UHFFFAOYSA-N 0 0 214.224 2.181 50 0 BEAARN Cc1nccn1CCCC(=O)N[C@H]1CC=CCC1 ZINC000096412782 180233017 /nfs/dbraw/zinc/23/30/17/180233017.db2.gz BZJWYYOPZRADOH-ZDUSSCGKSA-N 0 0 247.342 2.197 50 0 BEAARN OCc1nc2cc(-c3cccnc3)ccc2[nH]1 ZINC000426489336 191084766 /nfs/dbraw/zinc/08/47/66/191084766.db2.gz IFNRRIXROJMACV-UHFFFAOYSA-N 0 0 225.251 2.117 50 0 BEAARN CCOC(=O)Cc1ccc2c(c1)CCC2 ZINC000034027596 350252343 /nfs/dbraw/zinc/25/23/43/350252343.db2.gz QZUFFONNAZZTRS-UHFFFAOYSA-N 0 0 204.269 2.281 50 0 BEAARN Cc1ncnc(N[C@@H](C)CCn2cccn2)c1C ZINC000091626395 180291609 /nfs/dbraw/zinc/29/16/09/180291609.db2.gz DRDJICBERYVABC-JTQLQIEISA-N 0 0 245.330 2.181 50 0 BEAARN CC(C)(C)NS(=O)(=O)Cc1ccccc1F ZINC000012381499 350347001 /nfs/dbraw/zinc/34/70/01/350347001.db2.gz DSCCDAQAHUNNBO-UHFFFAOYSA-N 0 0 245.319 2.044 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)COCc1ccccc1 ZINC000040490151 350368322 /nfs/dbraw/zinc/36/83/22/350368322.db2.gz PVWMRIDLGXBCCP-LBPRGKRZSA-N 0 0 247.338 2.460 50 0 BEAARN Cc1ncsc1-c1nc([C@@H]2CCCO2)no1 ZINC000225598640 180302268 /nfs/dbraw/zinc/30/22/68/180302268.db2.gz MIQFTNHYMRIYHA-ZETCQYMHSA-N 0 0 237.284 2.353 50 0 BEAARN Cc1ncsc1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000230307988 180316307 /nfs/dbraw/zinc/31/63/07/180316307.db2.gz GGMHEAGKULWFBM-WDEREUQCSA-N 0 0 240.372 2.044 50 0 BEAARN Cc1ncsc1C(=O)OCC[C@@H]1CCCO1 ZINC000079015951 180307881 /nfs/dbraw/zinc/30/78/81/180307881.db2.gz KHIIVSCPBHJYFY-VIFPVBQESA-N 0 0 241.312 2.177 50 0 BEAARN COP(=O)(CC(=O)Cc1ccccc1)OC ZINC000039297623 350333757 /nfs/dbraw/zinc/33/37/57/350333757.db2.gz HQJAUSGLWRLGOI-UHFFFAOYSA-N 0 0 242.211 2.284 50 0 BEAARN Cn1cc(NC(=O)Nc2ccccc2)ccc1=O ZINC000040554377 350375548 /nfs/dbraw/zinc/37/55/48/350375548.db2.gz WPRRXLRKOTZDCJ-UHFFFAOYSA-N 0 0 243.266 2.029 50 0 BEAARN O=c1nc[nH]c2sc(CC(F)(F)F)cc21 ZINC000225873537 350377734 /nfs/dbraw/zinc/37/77/34/350377734.db2.gz MPAWLCWXJREENO-UHFFFAOYSA-N 0 0 234.202 2.089 50 0 BEAARN Cc1nn(-c2ccccc2F)cc1C=O ZINC000020439432 180330199 /nfs/dbraw/zinc/33/01/99/180330199.db2.gz VXZGQUKPGZDUMP-UHFFFAOYSA-N 0 0 204.204 2.132 50 0 BEAARN Cc1nn(-c2ccccc2)c(N)c1Cl ZINC000043664871 180330434 /nfs/dbraw/zinc/33/04/34/180330434.db2.gz SSKXJZPZQLTKAT-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN Cc1nn(-c2ccccn2)c(Cl)c1C=O ZINC000036905269 180331365 /nfs/dbraw/zinc/33/13/65/180331365.db2.gz FJNVPUVZXCCVQB-UHFFFAOYSA-N 0 0 221.647 2.042 50 0 BEAARN Cc1nn(C(=O)OC(C)(C)C)c(C)c1C=O ZINC000004200666 180332369 /nfs/dbraw/zinc/33/23/69/180332369.db2.gz AZJWODKWFMBMCM-UHFFFAOYSA-N 0 0 224.260 2.096 50 0 BEAARN C[C@H](NC(=O)NC1CC1)c1ccccc1 ZINC000032843682 350433433 /nfs/dbraw/zinc/43/34/33/350433433.db2.gz DVVBIUIDGYUPGM-VIFPVBQESA-N 0 0 204.273 2.209 50 0 BEAARN Cc1nn(C)c(C)c1OC(=O)C[C@H]1C=CCC1 ZINC000084012275 180344739 /nfs/dbraw/zinc/34/47/39/180344739.db2.gz XRTIIQWCBCJAMS-NSHDSACASA-N 0 0 234.299 2.299 50 0 BEAARN Cc1nn(C)c2c1[C@@H](c1ccccc1)CC(=O)N2 ZINC000072115627 180361667 /nfs/dbraw/zinc/36/16/67/180361667.db2.gz MNNMIFHIYRCBKV-LLVKDONJSA-N 0 0 241.294 2.203 50 0 BEAARN Cc1nn(C)cc1-c1csc(-c2cc[nH]n2)n1 ZINC000084044551 180365531 /nfs/dbraw/zinc/36/55/31/180365531.db2.gz SKEOWGVSEJNZRR-UHFFFAOYSA-N 0 0 245.311 2.242 50 0 BEAARN Cc1nn(C)cc1C(=O)OCc1ccsc1 ZINC000096442674 180370057 /nfs/dbraw/zinc/37/00/57/180370057.db2.gz ILFLDTAQZRLCSG-UHFFFAOYSA-N 0 0 236.296 2.147 50 0 BEAARN Cc1nn(C)cc1C(=O)OCC1CCCC1 ZINC000071904839 180370177 /nfs/dbraw/zinc/37/01/77/180370177.db2.gz QVVIKFPNZQOCSY-UHFFFAOYSA-N 0 0 222.288 2.076 50 0 BEAARN Cc1nn(C)cc1CN(C)[C@@H](C)c1ccccn1 ZINC000097113663 180373525 /nfs/dbraw/zinc/37/35/25/180373525.db2.gz FEJWRKGYBVZFGQ-LBPRGKRZSA-N 0 0 244.342 2.317 50 0 BEAARN Cc1nn(C)cc1NC(=S)NCCC(C)C ZINC000002799306 180376677 /nfs/dbraw/zinc/37/66/77/180376677.db2.gz JHCJNAWCTLIJOP-UHFFFAOYSA-N 0 0 240.376 2.061 50 0 BEAARN O=c1c2ccccc2oc2c1[C@@H](O)CCC2 ZINC000034590830 350471825 /nfs/dbraw/zinc/47/18/25/350471825.db2.gz CKGHAHJRPQCUQD-VIFPVBQESA-N 0 0 216.236 2.163 50 0 BEAARN Cc1nnc(-c2cccc(-n3cnnc3)c2)s1 ZINC000065527990 180396118 /nfs/dbraw/zinc/39/61/18/180396118.db2.gz HVZFTCZIENKVBN-UHFFFAOYSA-N 0 0 243.295 2.094 50 0 BEAARN Cc1nn2c(Cc3ccccc3F)nnc2s1 ZINC000008715030 180394783 /nfs/dbraw/zinc/39/47/83/180394783.db2.gz JJPJLWGYIYELDG-UHFFFAOYSA-N 0 0 248.286 2.224 50 0 BEAARN CCN(CC)C(=O)c1ccc(C)nc1C ZINC000070262526 350525800 /nfs/dbraw/zinc/52/58/00/350525800.db2.gz TUKCITNPQQHRNO-UHFFFAOYSA-N 0 0 206.289 2.180 50 0 BEAARN Cc1nnc(CNc2cccc(F)c2C)o1 ZINC000235955000 180416251 /nfs/dbraw/zinc/41/62/51/180416251.db2.gz RFMAYGJBAHIIKV-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN CC(=O)n1nc(C)c2c1C[C@H]1[C@@H]2C1(C)C ZINC000000518817 191109083 /nfs/dbraw/zinc/10/90/83/191109083.db2.gz UCQZFLXHBWNQTQ-KWQFWETISA-N 0 0 204.273 2.147 50 0 biogenic BEAARN Cc1nnc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)s1 ZINC000098020209 180436724 /nfs/dbraw/zinc/43/67/24/180436724.db2.gz DMIAOYAOPPJHRG-OPRDCNLKSA-N 0 0 239.344 2.216 50 0 BEAARN Cc1nnc(NC(=O)c2ccsc2)s1 ZINC000005423694 180431304 /nfs/dbraw/zinc/43/13/04/180431304.db2.gz MGLXSHUNRNMHCK-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN Cc1ccsc1C=C1SC(=O)NC1=O ZINC000016970888 362972134 /nfs/dbraw/zinc/97/21/34/362972134.db2.gz AWCNNXMPSCQUMK-QPJJXVBHSA-N 0 0 225.294 2.380 50 0 BEAARN Cc1noc(C)c1C(=O)N1Cc2ccccc2C1 ZINC000105980519 180462857 /nfs/dbraw/zinc/46/28/57/180462857.db2.gz NJRYEWMNZHYUCC-UHFFFAOYSA-N 0 0 242.278 2.447 50 0 BEAARN Cc1nnsc1C(=O)Nc1cccc(C)c1 ZINC000000385514 191117214 /nfs/dbraw/zinc/11/72/14/191117214.db2.gz BAQVIZKEXWRJPY-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000000387305 191116949 /nfs/dbraw/zinc/11/69/49/191116949.db2.gz XIYDDBUZDPBBLE-UHFFFAOYSA-N 0 0 219.269 2.164 50 0 BEAARN Cc1noc(NC(=O)CC(F)(F)F)c1C ZINC000267196874 180492193 /nfs/dbraw/zinc/49/21/93/180492193.db2.gz KZDHPHZBPZSEAW-UHFFFAOYSA-N 0 0 222.166 2.182 50 0 BEAARN Cc1noc([C@H]2CC(=O)N(C3CCCCC3)C2)n1 ZINC000064541824 180500057 /nfs/dbraw/zinc/50/00/57/180500057.db2.gz ZSNJCAYDKJIECB-JTQLQIEISA-N 0 0 249.314 2.027 50 0 BEAARN Cc1nsc(N2CC[C@H](C)C[C@@H]2C)n1 ZINC000081003606 180518120 /nfs/dbraw/zinc/51/81/20/180518120.db2.gz GQAQDOWIHABMJE-YUMQZZPRSA-N 0 0 211.334 2.471 50 0 BEAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000003754791 350911736 /nfs/dbraw/zinc/91/17/36/350911736.db2.gz ZFWBRKWMVFIPDB-LBPRGKRZSA-N 0 0 237.274 2.265 50 0 BEAARN Cc1oc2c(c1C(N)=O)c(F)c(F)c(F)c2F ZINC000000108337 180532874 /nfs/dbraw/zinc/53/28/74/180532874.db2.gz WJEMHDKQUVTZKH-UHFFFAOYSA-N 0 0 247.147 2.397 50 0 BEAARN CC(C)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000002860570 187473270 /nfs/dbraw/zinc/47/32/70/187473270.db2.gz HAOQRNMJIFRPHA-UHFFFAOYSA-N 0 0 231.251 2.388 50 0 BEAARN Cc1snc(-c2ccccc2)c1C(N)=O ZINC000096319547 180566240 /nfs/dbraw/zinc/56/62/40/180566240.db2.gz AVTYZZNCZAUWJA-UHFFFAOYSA-N 0 0 218.281 2.217 50 0 BEAARN Clc1ccc2nnc(-c3ccco3)n2n1 ZINC000036903738 180588159 /nfs/dbraw/zinc/58/81/59/180588159.db2.gz DKIRHRYJCPVVMS-UHFFFAOYSA-N 0 0 220.619 2.038 50 0 BEAARN Clc1ccncc1I ZINC000004352692 180597349 /nfs/dbraw/zinc/59/73/49/180597349.db2.gz GPFGRYFMMHDHGA-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN Clc1cnc2c(c1Cl)OCCO2 ZINC000066054439 180598699 /nfs/dbraw/zinc/59/86/99/180598699.db2.gz UUUDCPSRURTBMC-UHFFFAOYSA-N 0 0 206.028 2.160 50 0 BEAARN CN(c1ncnc2c1cnn2C)C1CCCCC1 ZINC000012484787 351597816 /nfs/dbraw/zinc/59/78/16/351597816.db2.gz UYXFZGNMYVOMIM-UHFFFAOYSA-N 0 0 245.330 2.132 50 0 BEAARN CN1C(=S)N=NC1CSc1cccs1 ZINC000000126603 180623345 /nfs/dbraw/zinc/62/33/45/180623345.db2.gz ZSELYSPKDJZLFK-UHFFFAOYSA-N 0 0 243.382 2.458 50 0 BEAARN Cn1cc(-c2csc([C@@H]3CCCO3)n2)cn1 ZINC000136491262 180628195 /nfs/dbraw/zinc/62/81/95/180628195.db2.gz PLVZRJWHJCTUHU-JTQLQIEISA-N 0 0 235.312 2.395 50 0 BEAARN Cn1cc(-c2noc(Cc3cccs3)n2)cn1 ZINC000078774285 180628701 /nfs/dbraw/zinc/62/87/01/180628701.db2.gz QZDVFXRWOBPTFE-UHFFFAOYSA-N 0 0 246.295 2.122 50 0 BEAARN Cc1cc(C(=O)N2CC(CC(F)F)C2)co1 ZINC000335501873 133868637 /nfs/dbraw/zinc/86/86/37/133868637.db2.gz JJAXQIHTVOQBSL-UHFFFAOYSA-N 0 0 229.226 2.315 50 0 BEAARN Cc1ccc(COC(=O)c2cc(C)ncn2)cc1 ZINC000096501710 191142083 /nfs/dbraw/zinc/14/20/83/191142083.db2.gz CDYUIUYIULOQGZ-UHFFFAOYSA-N 0 0 242.278 2.450 50 0 BEAARN COc1cc(CNC(=O)c2ccccc2)ccn1 ZINC000012537208 351993578 /nfs/dbraw/zinc/99/35/78/351993578.db2.gz PWDGCVICJBAQBL-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN Cc1cnc(NC(=O)COc2ccccc2)s1 ZINC000003555844 352258793 /nfs/dbraw/zinc/25/87/93/352258793.db2.gz RQYMOHHUJIALMX-UHFFFAOYSA-N 0 0 248.307 2.469 50 0 BEAARN Cn1cccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067502783 180724066 /nfs/dbraw/zinc/72/40/66/180724066.db2.gz ZWVWZXPQMQQUBT-OLZOCXBDSA-N 0 0 240.306 2.311 50 0 BEAARN COC(=O)[C@H](C)Nc1cc(C)ccc1C ZINC000044870439 352471348 /nfs/dbraw/zinc/47/13/48/352471348.db2.gz LKRHNMWYCVMUPH-JTQLQIEISA-N 0 0 207.273 2.277 50 0 BEAARN CNc1nc(N2CCCC[C@H]2C)ncc1F ZINC000725271663 538103568 /nfs/dbraw/zinc/10/35/68/538103568.db2.gz JQMDYHMXPSJFCP-MRVPVSSYSA-N 0 0 224.283 2.036 50 0 BEAARN Cc1cc(Br)oc1C(=O)N(C)C ZINC000044977213 352545124 /nfs/dbraw/zinc/54/51/24/352545124.db2.gz FDNMZQZNDSTHDG-UHFFFAOYSA-N 0 0 232.077 2.052 50 0 BEAARN CC(=O)c1cccc(Br)n1 ZINC000002563671 187756202 /nfs/dbraw/zinc/75/62/02/187756202.db2.gz RUJTWTUYVOEEFW-UHFFFAOYSA-N 0 0 200.035 2.047 50 0 BEAARN Cc1nc(Br)c(Br)[nH]1 ZINC000002566893 187756729 /nfs/dbraw/zinc/75/67/29/187756729.db2.gz DBFMQNPRKMLHLK-UHFFFAOYSA-N 0 0 239.898 2.243 50 0 BEAARN Cc1ccc(OCC(=O)Nc2nccs2)cc1 ZINC000004043881 187757072 /nfs/dbraw/zinc/75/70/72/187757072.db2.gz JWBGEWJQZXWYIN-UHFFFAOYSA-N 0 0 248.307 2.469 50 0 BEAARN CC[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C ZINC000016125332 187761200 /nfs/dbraw/zinc/76/12/00/187761200.db2.gz GJZHXLNQQNAXNW-SECBINFHSA-N 0 0 227.304 2.365 50 0 BEAARN CC(=O)C[C@@H]1CCN(c2ccccc2)N1C(C)=O ZINC000018193441 187761302 /nfs/dbraw/zinc/76/13/02/187761302.db2.gz XBFCILSNIACEGD-AWEZNQCLSA-N 0 0 246.310 2.008 50 0 BEAARN COc1ccc(NC(=O)/C=C/c2ccco2)cn1 ZINC000015947878 187761609 /nfs/dbraw/zinc/76/16/09/187761609.db2.gz MOJCAEZDVJTTAW-AATRIKPKSA-N 0 0 244.250 2.335 50 0 BEAARN CC(C)c1cc(C(=O)N2CC[C@@H](O)C2)cs1 ZINC000019773669 352579704 /nfs/dbraw/zinc/57/97/04/352579704.db2.gz ATQLCYUYBBBTAR-SNVBAGLBSA-N 0 0 239.340 2.078 50 0 BEAARN CC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000030835647 187765194 /nfs/dbraw/zinc/76/51/94/187765194.db2.gz ILFOVOGNBJSZLG-ZDUSSCGKSA-N 0 0 235.283 2.203 50 0 BEAARN CCN(C)c1ccccc1NC(=O)[C@H]1CCCO1 ZINC000078601342 187792937 /nfs/dbraw/zinc/79/29/37/187792937.db2.gz LHQXVAHUQABLAS-CYBMUJFWSA-N 0 0 248.326 2.260 50 0 BEAARN Cn1c(Cl)ncc1-c1noc(C2CCC2)n1 ZINC000725273690 538104837 /nfs/dbraw/zinc/10/48/37/538104837.db2.gz UZVLOMJCBRWWBC-UHFFFAOYSA-N 0 0 238.678 2.391 50 0 BEAARN CC(C)(C)c1nc(Br)c[nH]1 ZINC000095496189 187800398 /nfs/dbraw/zinc/80/03/98/187800398.db2.gz MEAHFTSCWFTUCC-UHFFFAOYSA-N 0 0 203.083 2.470 50 0 BEAARN CC1(c2cc(N)ccc2Cl)OCCO1 ZINC000170623906 187816481 /nfs/dbraw/zinc/81/64/81/187816481.db2.gz STILHYIIPWCHFR-UHFFFAOYSA-N 0 0 213.664 2.142 50 0 BEAARN CCCCCC[C@H](C)NC(=O)N1CCOCC1 ZINC000005860402 168677292 /nfs/dbraw/zinc/67/72/92/168677292.db2.gz KJYSFADEIWGLMV-LBPRGKRZSA-N 0 0 242.363 2.387 50 0 BEAARN CCCCCNC(=O)N(CC(C)(C)O)C(C)C ZINC000089953447 168706754 /nfs/dbraw/zinc/70/67/54/168706754.db2.gz ULEWEWLNGFPXGI-UHFFFAOYSA-N 0 0 244.379 2.368 50 0 BEAARN CCCCCNC(=O)Nc1nnc(C)s1 ZINC000040526548 168709235 /nfs/dbraw/zinc/70/92/35/168709235.db2.gz YFUXRSWVWVOFSH-UHFFFAOYSA-N 0 0 228.321 2.158 50 0 BEAARN CC(=O)O[C@H](Cn1cccn1)c1ccccc1 ZINC000000105195 188099140 /nfs/dbraw/zinc/09/91/40/188099140.db2.gz FZBBPYRIYMDYDM-CYBMUJFWSA-N 0 0 230.267 2.188 50 0 BEAARN CC(C)Cn1nnc2c1c1ccccc1oc2=O ZINC000000302199 188099805 /nfs/dbraw/zinc/09/98/05/188099805.db2.gz QAUZEGHUGZIYKK-UHFFFAOYSA-N 0 0 243.266 2.194 50 0 BEAARN CC(C)CS(=O)(=O)c1cccs1 ZINC000000270964 188100051 /nfs/dbraw/zinc/10/00/51/188100051.db2.gz CQEKYOBAHIDTOH-UHFFFAOYSA-N 0 0 204.316 2.178 50 0 BEAARN O=C1C[C@@](O)(C(F)F)Oc2ccc(Cl)cc21 ZINC000002479540 188100587 /nfs/dbraw/zinc/10/05/87/188100587.db2.gz YDTRNTLELXJIIE-JTQLQIEISA-N 0 0 248.612 2.259 50 0 BEAARN Cc1cc(Br)c(O)c(C=O)c1 ZINC000002564967 188100846 /nfs/dbraw/zinc/10/08/46/188100846.db2.gz LCZDQTSSLMAXCI-UHFFFAOYSA-N 0 0 215.046 2.276 50 0 BEAARN Cc1ccc(OCn2cc(N)cn2)c(C)c1 ZINC000002535039 188101194 /nfs/dbraw/zinc/10/11/94/188101194.db2.gz KZLPUYNJHUGYBQ-UHFFFAOYSA-N 0 0 217.272 2.119 50 0 BEAARN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000004142619 188101658 /nfs/dbraw/zinc/10/16/58/188101658.db2.gz QZDGIMJUMMQDQD-LFSVMHDDSA-N 0 0 245.322 2.148 50 0 BEAARN CC(=O)c1cnc(NCc2ccco2)nc1C ZINC000009225526 188104457 /nfs/dbraw/zinc/10/44/57/188104457.db2.gz SYZUEOCQYDYDSR-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CC(=O)Nc1cccc(-n2c(C)n[n-]c2=S)c1 ZINC000012522336 188104756 /nfs/dbraw/zinc/10/47/56/188104756.db2.gz ATRHYXVKJVZTTH-UHFFFAOYSA-N 0 0 248.311 2.197 50 0 BEAARN Cc1cccc(NC2=NC[C@@H](C)S2)n1 ZINC000012462973 188104959 /nfs/dbraw/zinc/10/49/59/188104959.db2.gz CMHNKMRKUZJKCO-MRVPVSSYSA-N 0 0 207.302 2.293 50 0 BEAARN CC(=O)N[C@@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000012847188 188105090 /nfs/dbraw/zinc/10/50/90/188105090.db2.gz RFNVIMCTUQSGCO-JTQLQIEISA-N 0 0 248.326 2.273 50 0 BEAARN CC(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000012336461 188105249 /nfs/dbraw/zinc/10/52/49/188105249.db2.gz FTUYTARZCNUSDA-UHFFFAOYSA-N 0 0 212.632 2.086 50 0 BEAARN CC(C)C(=O)Nc1ccc2nsnc2c1 ZINC000017083474 188106753 /nfs/dbraw/zinc/10/67/53/188106753.db2.gz SBXWRENPTMUDGG-UHFFFAOYSA-N 0 0 221.285 2.286 50 0 BEAARN COc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000019606950 188107744 /nfs/dbraw/zinc/10/77/44/188107744.db2.gz WHZJSOHQIFDERC-VXGBXAGGSA-N 0 0 235.327 2.304 50 0 BEAARN CC(=O)Nc1nc(-c2ccc(N)cc2)cs1 ZINC000020335869 188108550 /nfs/dbraw/zinc/10/85/50/188108550.db2.gz LWGFJIYWRNZQEH-UHFFFAOYSA-N 0 0 233.296 2.351 50 0 BEAARN CC(=O)Nc1cccc(C(=O)N[C@@H](C)C2CC2)c1 ZINC000023990210 188109238 /nfs/dbraw/zinc/10/92/38/188109238.db2.gz YPDHETAPNQPXMO-VIFPVBQESA-N 0 0 246.310 2.173 50 0 BEAARN O=C(NCc1ccc(Cl)cc1)NC1CC1 ZINC000023622976 188109534 /nfs/dbraw/zinc/10/95/34/188109534.db2.gz HENMGGYMUYORLB-UHFFFAOYSA-N 0 0 224.691 2.302 50 0 BEAARN BrC1=NO[C@@H](c2ccccn2)C1 ZINC000030678684 188110088 /nfs/dbraw/zinc/11/00/88/188110088.db2.gz RFOXEJQCVRQUFN-SSDOTTSWSA-N 0 0 227.061 2.251 50 0 BEAARN Cn1nnnc1SCc1ccc(Cl)s1 ZINC000039587517 180876792 /nfs/dbraw/zinc/87/67/92/180876792.db2.gz MERYGEHYQMJTRQ-UHFFFAOYSA-N 0 0 246.748 2.217 50 0 BEAARN CC(=O)Nc1ccc(O)c2c1CCCC2 ZINC000075606010 188115809 /nfs/dbraw/zinc/11/58/09/188115809.db2.gz UCZOSSVIJDUQAT-UHFFFAOYSA-N 0 0 205.257 2.229 50 0 BEAARN Oc1ccc(SCc2nnnn2C2CC2)cc1 ZINC000038000101 188115830 /nfs/dbraw/zinc/11/58/30/188115830.db2.gz UVTWVHZNBKLRFD-UHFFFAOYSA-N 0 0 248.311 2.006 50 0 BEAARN CC(C)[C@H](CC(=O)[O-])[NH2+]Cc1ccccc1 ZINC000038386984 188117000 /nfs/dbraw/zinc/11/70/00/188117000.db2.gz CRGHGHLMEXVSAO-LBPRGKRZSA-N 0 0 221.300 2.276 50 0 BEAARN Ic1c[nH]c2cccnc12 ZINC000040434500 188118233 /nfs/dbraw/zinc/11/82/33/188118233.db2.gz ZLVQSDNBINQPHB-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN COC(CC(=O)c1ccccc1F)OC ZINC000121983879 538110312 /nfs/dbraw/zinc/11/03/12/538110312.db2.gz NQTQZSMXJKKUAO-UHFFFAOYSA-N 0 0 212.220 2.017 50 0 BEAARN Cc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1 ZINC000013468356 188106348 /nfs/dbraw/zinc/10/63/48/188106348.db2.gz MSWLJZURSBZZKE-UHFFFAOYSA-N 0 0 220.659 2.399 50 0 BEAARN CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000089265629 188144589 /nfs/dbraw/zinc/14/45/89/188144589.db2.gz QWGVGEOWZHZUIQ-UHFFFAOYSA-N 0 0 247.342 2.151 50 0 BEAARN CC(=O)Nc1nc2c(c(C)n1)[C@@H]1[C@H](C2)C1(C)C ZINC000016035968 188145241 /nfs/dbraw/zinc/14/52/41/188145241.db2.gz BESMNXKBNDKJBW-KWQFWETISA-N 0 0 231.299 2.039 50 0 BEAARN CC(C)(NC(=O)c1ccn[nH]1)c1ccccc1 ZINC000049314878 188124106 /nfs/dbraw/zinc/12/41/06/188124106.db2.gz BHGQADKQGQFAIR-UHFFFAOYSA-N 0 0 229.283 2.075 50 0 BEAARN CC(C)C[C@@H](NS(C)(=O)=O)c1cccs1 ZINC000048368524 188124316 /nfs/dbraw/zinc/12/43/16/188124316.db2.gz WRVPWAXRGSDZKM-SECBINFHSA-N 0 0 247.385 2.385 50 0 BEAARN FC(F)(F)CN1CCN(c2ccccc2)CC1 ZINC000074232787 180884249 /nfs/dbraw/zinc/88/42/49/180884249.db2.gz PLLVFJSHVXVCRV-UHFFFAOYSA-N 0 0 244.260 2.371 50 0 BEAARN CC(C)(C)n1[nH]c(=O)c2ccc(F)cc21 ZINC000067341867 188128934 /nfs/dbraw/zinc/12/89/34/188128934.db2.gz PBQAHUMFKNAKNG-UHFFFAOYSA-N 0 0 208.236 2.224 50 0 BEAARN Cc1ccc(OCC(=O)N2CCCC[C@@H]2C)cn1 ZINC000069740699 188130100 /nfs/dbraw/zinc/13/01/00/188130100.db2.gz LMXXWGJAODMAFU-LBPRGKRZSA-N 0 0 248.326 2.170 50 0 BEAARN Brc1nnc(C2CCOCC2)s1 ZINC000071051734 188130255 /nfs/dbraw/zinc/13/02/55/188130255.db2.gz OJBZZQGPZIRQEX-UHFFFAOYSA-N 0 0 249.133 2.195 50 0 BEAARN CCOC(=O)c1csc(C(=O)OCC)c1C ZINC000079881921 188137694 /nfs/dbraw/zinc/13/76/94/188137694.db2.gz IFXVNMXHGVMSLZ-UHFFFAOYSA-N 0 0 242.296 2.410 50 0 BEAARN Cc1ccn(C(=O)c2ccc(C)cc2)n1 ZINC000006300041 188157548 /nfs/dbraw/zinc/15/75/48/188157548.db2.gz RYTYVAIYKYZFJS-UHFFFAOYSA-N 0 0 200.241 2.188 50 0 BEAARN CC(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1 ZINC000101487841 188159302 /nfs/dbraw/zinc/15/93/02/188159302.db2.gz XEFSXAWCUNZOCU-UHFFFAOYSA-N 0 0 215.256 2.344 50 0 BEAARN Cc1ccccc1CC(=O)N(C)C[C@H]1CCOC1 ZINC000169749090 188161949 /nfs/dbraw/zinc/16/19/49/188161949.db2.gz VUNMKOYIAZYIDX-CYBMUJFWSA-N 0 0 247.338 2.032 50 0 BEAARN CC(Nc1ccc(F)cc1)=C1CCOC1=O ZINC000004334922 188173486 /nfs/dbraw/zinc/17/34/86/188173486.db2.gz TWEZLQROPIJJDQ-DHZHZOJOSA-N 0 0 221.231 2.459 50 0 BEAARN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(F)C1 ZINC000095644189 188146221 /nfs/dbraw/zinc/14/62/21/188146221.db2.gz PXUHGBULTZUZGA-UHFFFAOYSA-N 0 0 246.278 2.008 50 0 BEAARN Nc1cccc([C@H]2CN3C=CSC3=N2)c1 ZINC000100157838 188149787 /nfs/dbraw/zinc/14/97/87/188149787.db2.gz BOKOYYZHDOIYIM-SNVBAGLBSA-N 0 0 217.297 2.200 50 0 BEAARN Cc1ccnc(NC(=O)c2ccoc2Cl)n1 ZINC000194684105 188175583 /nfs/dbraw/zinc/17/55/83/188175583.db2.gz MTFJBBRMNNNDJS-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN COc1ccnc(Br)c1C ZINC000214333807 188177988 /nfs/dbraw/zinc/17/79/88/188177988.db2.gz NYCCNQNBQUXWOL-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN CCn1nc(C)cc1NC(=O)c1ccoc1C ZINC000028305669 188180386 /nfs/dbraw/zinc/18/03/86/188180386.db2.gz HOHKMCMXFQFGJA-UHFFFAOYSA-N 0 0 233.271 2.365 50 0 BEAARN COc1cc(Br)cc2[nH]cnc21 ZINC000225522375 188181601 /nfs/dbraw/zinc/18/16/01/188181601.db2.gz POJQRKWNXUKDRM-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CCn1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000028575799 188181747 /nfs/dbraw/zinc/18/17/47/188181747.db2.gz GKPYVWKXWHEVNN-QWRGUYRKSA-N 0 0 235.331 2.021 50 0 BEAARN CC(C)n1ccc(Br)cc1=O ZINC000255189976 188192928 /nfs/dbraw/zinc/19/29/28/188192928.db2.gz UDIQXQQWGQXOHU-UHFFFAOYSA-N 0 0 216.078 2.192 50 0 BEAARN CC(C)(C)OC(=O)NC1CCC(CO)CC1 ZINC000002518241 353475395 /nfs/dbraw/zinc/47/53/95/353475395.db2.gz SGNKPJPMWHKOJO-UHFFFAOYSA-N 0 0 229.320 2.062 50 0 BEAARN Fc1ccc(Nc2ncnc3nc[nH]c32)cc1 ZINC000004692584 180979780 /nfs/dbraw/zinc/97/97/80/180979780.db2.gz SCRHVVOELSYCSO-UHFFFAOYSA-N 0 0 229.218 2.236 50 0 in-vivo BEAARN Cc1ccc(CC(=O)NC[C@H]2CCCO2)cc1C ZINC000016649729 353553138 /nfs/dbraw/zinc/55/31/38/353553138.db2.gz MLAWRIPNSAMPEI-CQSZACIVSA-N 0 0 247.338 2.141 50 0 BEAARN CC(=O)NC(=S)Nc1cc(C)ccc1C ZINC000001003709 188454324 /nfs/dbraw/zinc/45/43/24/188454324.db2.gz TXDLNWRYAIFWHB-UHFFFAOYSA-N 0 0 222.313 2.136 50 0 BEAARN COc1cc(N)ccc1Br ZINC000002548040 188455733 /nfs/dbraw/zinc/45/57/33/188455733.db2.gz RUTNWXBHRAIQSP-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN CNc1ccc(Br)cc1C(=O)OC ZINC000008703129 188459193 /nfs/dbraw/zinc/45/91/93/188459193.db2.gz TUQRZARLAYWDBD-UHFFFAOYSA-N 0 0 244.088 2.277 50 0 BEAARN Cc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1C ZINC000027579371 188465041 /nfs/dbraw/zinc/46/50/41/188465041.db2.gz RSUAPWZYVXHBOE-LLVKDONJSA-N 0 0 244.298 2.095 50 0 BEAARN O=C(NC(C1CC1)C1CC1)c1cccnc1 ZINC000022885826 188465047 /nfs/dbraw/zinc/46/50/47/188465047.db2.gz DBFOZFNQAVZYAV-UHFFFAOYSA-N 0 0 216.284 2.000 50 0 BEAARN CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000032678726 188466249 /nfs/dbraw/zinc/46/62/49/188466249.db2.gz QCWSPXPKUMWVSP-UHFFFAOYSA-N 0 0 203.694 2.380 50 0 BEAARN CCOC(=O)c1csc(-n2cccc2)n1 ZINC000000084597 188452571 /nfs/dbraw/zinc/45/25/71/188452571.db2.gz SOHUIKMMDCMYBK-UHFFFAOYSA-N 0 0 222.269 2.111 50 0 BEAARN Cc1cc(Cl)ccc1NC(=S)N(C)N ZINC000000145159 188452683 /nfs/dbraw/zinc/45/26/83/188452683.db2.gz QMNBHROGCZGXCX-UHFFFAOYSA-N 0 0 229.736 2.151 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)NCC2CC2)cc1 ZINC000043654329 188479790 /nfs/dbraw/zinc/47/97/90/188479790.db2.gz VIUVXJWKQBWMNU-UHFFFAOYSA-N 0 0 247.298 2.177 50 0 BEAARN CNc1ccc(C=O)cc1Br ZINC000036381231 188468138 /nfs/dbraw/zinc/46/81/38/188468138.db2.gz RUGCOJWVZDCHIH-UHFFFAOYSA-N 0 0 214.062 2.303 50 0 BEAARN CN(C)c1ccc(NC(=O)C2CCCC2)cn1 ZINC000044896785 188480458 /nfs/dbraw/zinc/48/04/58/188480458.db2.gz ODGYYCGJTPVOJS-UHFFFAOYSA-N 0 0 233.315 2.276 50 0 BEAARN Cc1ccoc1C(=O)Nc1nccn1CC(C)C ZINC000064662268 188486917 /nfs/dbraw/zinc/48/69/17/188486917.db2.gz XBAGDJILKQIYBH-UHFFFAOYSA-N 0 0 247.298 2.115 50 0 BEAARN CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000071908044 188489731 /nfs/dbraw/zinc/48/97/31/188489731.db2.gz YKLZPNIUYQIPBG-OLZOCXBDSA-N 0 0 239.359 2.450 50 0 BEAARN Fc1cccc(NCc2cn3cccnc3n2)c1 ZINC000002615799 181001739 /nfs/dbraw/zinc/00/17/39/181001739.db2.gz GDDSIBHGFZZAKX-UHFFFAOYSA-N 0 0 242.257 2.481 50 0 BEAARN CC(=O)Nc1ccc(C)c(NC(=O)NC2CC2)c1 ZINC000048279872 188481126 /nfs/dbraw/zinc/48/11/26/188481126.db2.gz QAFAAWKLBBQHNB-UHFFFAOYSA-N 0 0 247.298 2.237 50 0 BEAARN CC(C)N(C(=O)c1ccccn1)C1CCOCC1 ZINC000078182369 188494412 /nfs/dbraw/zinc/49/44/12/188494412.db2.gz BLNQAXQYMYPDDW-UHFFFAOYSA-N 0 0 248.326 2.111 50 0 BEAARN Fc1ccccc1OCCN1CCSCC1 ZINC000047986862 181014525 /nfs/dbraw/zinc/01/45/25/181014525.db2.gz UXKXERGSXGOHFE-UHFFFAOYSA-N 0 0 241.331 2.253 50 0 BEAARN CC(=O)N1CCc2ccc(N3CCCC3)cc21 ZINC000041120915 188503758 /nfs/dbraw/zinc/50/37/58/188503758.db2.gz ZZNCRRMSIKAIJF-UHFFFAOYSA-N 0 0 230.311 2.196 50 0 BEAARN Cc1cnc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000012984609 188535340 /nfs/dbraw/zinc/53/53/40/188535340.db2.gz QZYAHRLDQGKUAI-UHFFFAOYSA-N 0 0 241.294 2.057 50 0 BEAARN COC(=O)C[C@@H](C)c1ccccc1OC ZINC000000391016 363293008 /nfs/dbraw/zinc/29/30/08/363293008.db2.gz AMQHSBFLNIRYKR-SECBINFHSA-N 0 0 208.257 2.362 50 0 BEAARN COC[C@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000000388944 363293224 /nfs/dbraw/zinc/29/32/24/363293224.db2.gz UUMKXGIHIVYYGM-QMMMGPOBSA-N 0 0 242.706 2.496 50 0 BEAARN CCCC[C@H](C)C(=O)N1CCOCC[C@@H]1C ZINC000252498975 188549094 /nfs/dbraw/zinc/54/90/94/188549094.db2.gz RRZDFCGNBDERKA-RYUDHWBXSA-N 0 0 227.348 2.450 50 0 BEAARN Cc1cnc(C)c(N2CCCCCC2)n1 ZINC000298194907 188573266 /nfs/dbraw/zinc/57/32/66/188573266.db2.gz CRCRFAXNPURBAI-UHFFFAOYSA-N 0 0 205.305 2.474 50 0 BEAARN C[C@@H](F)CCNC(=O)N1CCCC[C@@H]1C ZINC000334678828 354423986 /nfs/dbraw/zinc/42/39/86/354423986.db2.gz HYADTCHCKUEXKM-ZJUUUORDSA-N 0 0 216.300 2.319 50 0 BEAARN CCCCCOc1ccc([C@H]([NH3+])C(=O)[O-])cc1 ZINC000003676961 168731432 /nfs/dbraw/zinc/73/14/32/168731432.db2.gz FSQMLVRYEBEDNM-LBPRGKRZSA-N 0 0 237.299 2.340 50 0 BEAARN C[C@H](N(C)C(=O)[C@@H]1CCCO1)C(C)(C)C ZINC000032788078 354580974 /nfs/dbraw/zinc/58/09/74/354580974.db2.gz UOAHSSYILILMGF-UWVGGRQHSA-N 0 0 213.321 2.058 50 0 BEAARN Cn1ccnc1NC(=O)CCCc1cccs1 ZINC000412739369 191308735 /nfs/dbraw/zinc/30/87/35/191308735.db2.gz RDIRTHQKJRZKHQ-UHFFFAOYSA-N 0 0 249.339 2.443 50 0 BEAARN Cc1ccc(CN(C)C(=O)C2CCC2)o1 ZINC000033024039 354595196 /nfs/dbraw/zinc/59/51/96/354595196.db2.gz VDOYNUCONQEKRB-UHFFFAOYSA-N 0 0 207.273 2.347 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)c2ccccn2)n1 ZINC000032909338 354596661 /nfs/dbraw/zinc/59/66/61/354596661.db2.gz QBCWVRLXOHXMEO-NSHDSACASA-N 0 0 241.294 2.276 50 0 BEAARN CO[C@H](C)c1cccc(-c2cnn(C)c2N)c1 ZINC000259323955 259458062 /nfs/dbraw/zinc/45/80/62/259458062.db2.gz GBTZPMWJPSOJBY-SECBINFHSA-N 0 0 231.299 2.377 50 0 BEAARN O=C(N[C@@H]1CCCC[C@H]1F)c1ccsn1 ZINC000335134879 354783403 /nfs/dbraw/zinc/78/34/03/354783403.db2.gz RGASRLUPKRLANR-HTQZYQBOSA-N 0 0 228.292 2.154 50 0 BEAARN CCc1nc(CN[C@@H]2CCCC2(C)C)no1 ZINC000191292390 355384058 /nfs/dbraw/zinc/38/40/58/355384058.db2.gz NRZPHFNOKDAFII-SECBINFHSA-N 0 0 223.320 2.300 50 0 BEAARN CCCCC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000072323954 168746870 /nfs/dbraw/zinc/74/68/70/168746870.db2.gz POKHSIRCEXSJBL-GFCCVEGCSA-N 0 0 246.310 2.317 50 0 biogenic BEAARN CO[C@@H](C)c1cccc(-c2cnn(C)c2N)c1 ZINC000259323957 259458184 /nfs/dbraw/zinc/45/81/84/259458184.db2.gz GBTZPMWJPSOJBY-VIFPVBQESA-N 0 0 231.299 2.377 50 0 BEAARN Cc1ccncc1C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000335833065 355561179 /nfs/dbraw/zinc/56/11/79/355561179.db2.gz OIUWMLOWMKOFPM-NXEZZACHSA-N 0 0 222.263 2.010 50 0 BEAARN CN(Cc1ccco1)C(=O)C1CC(F)(F)C1 ZINC000335837332 355565998 /nfs/dbraw/zinc/56/59/98/355565998.db2.gz AFYFLEUIJYDNTJ-UHFFFAOYSA-N 0 0 229.226 2.283 50 0 BEAARN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000191418236 355667471 /nfs/dbraw/zinc/66/74/71/355667471.db2.gz PXRRLFUIJXACSY-GHMZBOCLSA-N 0 0 213.321 2.218 50 0 BEAARN N=C1NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1 ZINC000018209442 181207295 /nfs/dbraw/zinc/20/72/95/181207295.db2.gz DTIQKHFEEDYBQY-MRVPVSSYSA-N 0 0 240.715 2.049 50 0 BEAARN O=c1[nH]c2ccccc2nc1/C=C/c1cccnc1 ZINC000005286488 355739596 /nfs/dbraw/zinc/73/95/96/355739596.db2.gz WOYMZRWUKAMJMT-BQYQJAHWSA-N 0 0 249.273 2.489 50 0 BEAARN Cc1ccc(CNC(=O)CC(C)C)cn1 ZINC000047557340 355766630 /nfs/dbraw/zinc/76/66/30/355766630.db2.gz YQYZUJXOFXWYHH-UHFFFAOYSA-N 0 0 206.289 2.052 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000012545902 355808030 /nfs/dbraw/zinc/80/80/30/355808030.db2.gz PFUSTYPLEKPTFU-UHFFFAOYSA-N 0 0 244.298 2.252 50 0 BEAARN NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000012926314 181214936 /nfs/dbraw/zinc/21/49/36/181214936.db2.gz CEMNTPZYNUZZPF-UHFFFAOYSA-N 0 0 209.676 2.247 50 0 BEAARN CCCCN(C(=O)c1ccc(C)[nH]c1=O)C1CC1 ZINC000075119559 168756879 /nfs/dbraw/zinc/75/68/79/168756879.db2.gz XHEZDRFZVLPLSG-UHFFFAOYSA-N 0 0 248.326 2.088 50 0 BEAARN NC(=O)COc1ccccc1Cc1ccccc1 ZINC000005294649 181239280 /nfs/dbraw/zinc/23/92/80/181239280.db2.gz QJKUDWJBZRKILA-UHFFFAOYSA-N 0 0 241.290 2.142 50 0 BEAARN NC(=O)CN(Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000071900603 181229892 /nfs/dbraw/zinc/22/98/92/181229892.db2.gz NRDIJUPMDKYAJQ-CQSZACIVSA-N 0 0 244.338 2.083 50 0 BEAARN NC(=O)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000071773308 181242641 /nfs/dbraw/zinc/24/26/41/181242641.db2.gz KHAOETKYNQPJJA-ZYHUDNBSSA-N 0 0 203.285 2.446 50 0 BEAARN NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000019278959 181262401 /nfs/dbraw/zinc/26/24/01/181262401.db2.gz CGCOVQSKNBEYNN-UHFFFAOYSA-N 0 0 204.151 2.196 50 0 BEAARN O=S1(=O)C[C@@H]2CC=C3CCCC[C@@H]3[C@H]2C1 ZINC000247310198 356382355 /nfs/dbraw/zinc/38/23/55/356382355.db2.gz IDUKJPBRTFHNFG-SRVKXCTJSA-N 0 0 226.341 2.168 50 0 BEAARN NC(=O)[C@@H]1Cc2ccccc2N1[C@@H]1C=CCCC1 ZINC000066497149 181273874 /nfs/dbraw/zinc/27/38/74/181273874.db2.gz BFIMYFNEDQVVMB-OCCSQVGLSA-N 0 0 242.322 2.012 50 0 BEAARN NC(=O)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000331456 181277271 /nfs/dbraw/zinc/27/72/71/181277271.db2.gz NTMLLKRWCFUOAP-ZDUSSCGKSA-N 0 0 239.274 2.138 50 0 BEAARN CCCC(=O)NCCc1ccc([C@H](C)O)s1 ZINC000618256586 356470650 /nfs/dbraw/zinc/47/06/50/356470650.db2.gz UOKWYWPBDRKWJR-VIFPVBQESA-N 0 0 241.356 2.260 50 0 BEAARN NNc1cc(Cl)ccc1Br ZINC000088122808 356521525 /nfs/dbraw/zinc/52/15/25/356521525.db2.gz IWCHTILHDIBDGF-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN CC(C)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000012894276 356529105 /nfs/dbraw/zinc/52/91/05/356529105.db2.gz IKVZVDKVMYHZDX-UHFFFAOYSA-N 0 0 246.310 2.173 50 0 BEAARN CCCC[C@@H](C)C(=O)Nc1cc(C)n(C)n1 ZINC000252510546 363472724 /nfs/dbraw/zinc/47/27/24/363472724.db2.gz ZNNHGYQTYRVBIG-SECBINFHSA-N 0 0 223.320 2.493 50 0 BEAARN C[C@H](CNC(=O)c1cnccn1)c1ccccc1 ZINC000012931379 356650240 /nfs/dbraw/zinc/65/02/40/356650240.db2.gz UMELTQPCLVEGAE-LLVKDONJSA-N 0 0 241.294 2.010 50 0 BEAARN COC(=O)Cc1cc(=O)[nH]c2c(C)c(F)ccc12 ZINC000675081713 538522212 /nfs/dbraw/zinc/52/22/12/538522212.db2.gz JJLUHJVJBCJLHU-UHFFFAOYSA-N 0 0 249.241 2.103 50 0 BEAARN COC(=O)[C@@]1(C)O[C@]1(C)c1ccc(C)s1 ZINC000085657905 538545027 /nfs/dbraw/zinc/54/50/27/538545027.db2.gz KYRMNCDKAOXDCD-GHMZBOCLSA-N 0 0 226.297 2.234 50 0 BEAARN O=C(c1ccco1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089794338 538583332 /nfs/dbraw/zinc/58/33/32/538583332.db2.gz WUAIMILCHGLLGK-GHMZBOCLSA-N 0 0 217.268 2.318 50 0 BEAARN O=C(C1CCOCC1)N1CCC[C@H]2CCC[C@H]21 ZINC000089817852 538584596 /nfs/dbraw/zinc/58/45/96/538584596.db2.gz NVBOLDBZOAOVLV-DGCLKSJQSA-N 0 0 237.343 2.204 50 0 BEAARN O=C(C1=CCCCO1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000089818643 538584766 /nfs/dbraw/zinc/58/47/66/538584766.db2.gz GANXLICJLUNNQW-RYUDHWBXSA-N 0 0 235.327 2.472 50 0 BEAARN O=C(C1=CCCCO1)N1CC[C@@H]2CCCC[C@H]21 ZINC000089818642 538585120 /nfs/dbraw/zinc/58/51/20/538585120.db2.gz GANXLICJLUNNQW-NWDGAFQWSA-N 0 0 235.327 2.472 50 0 BEAARN C[C@@H]1CC[C@@H](C(=O)N2CCCCCCC2)O1 ZINC000089922814 538586667 /nfs/dbraw/zinc/58/66/67/538586667.db2.gz BWYZGCWZGPBRDJ-NEPJUHHUSA-N 0 0 225.332 2.347 50 0 BEAARN C[C@H]1CC[C@H](C(=O)N2CCCCCCC2)O1 ZINC000089922812 538586735 /nfs/dbraw/zinc/58/67/35/538586735.db2.gz BWYZGCWZGPBRDJ-NWDGAFQWSA-N 0 0 225.332 2.347 50 0 BEAARN C[C@@H]1CC[C@@H](C(=O)N2CC(C)(C)C2(C)C)O1 ZINC000089922802 538586871 /nfs/dbraw/zinc/58/68/71/538586871.db2.gz FSHJBLIITCIKMH-ZJUUUORDSA-N 0 0 225.332 2.201 50 0 BEAARN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCC1 ZINC000089941521 538588488 /nfs/dbraw/zinc/58/84/88/538588488.db2.gz WHHKWFFIYJKQHX-ZWNOBZJWSA-N 0 0 231.295 2.174 50 0 BEAARN CC(C)C[C@H](C)S(=O)(=O)N1CCCCC1 ZINC000095397128 538605642 /nfs/dbraw/zinc/60/56/42/538605642.db2.gz AXDFCNNPCMQDND-NSHDSACASA-N 0 0 233.377 2.237 50 0 BEAARN CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000095396259 538605999 /nfs/dbraw/zinc/60/59/99/538605999.db2.gz LPOGUUHMZPLHAS-NSHDSACASA-N 0 0 240.253 2.441 50 0 BEAARN O=C(N[C@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000095401257 538607070 /nfs/dbraw/zinc/60/70/70/538607070.db2.gz LYASYPJZWXINTL-RYUDHWBXSA-N 0 0 207.317 2.481 50 0 BEAARN C[C@H]1SCCN(C(N)=O)[C@H]1c1ccccc1 ZINC000095960285 538610493 /nfs/dbraw/zinc/61/04/93/538610493.db2.gz VQTPZQUOSPWKSB-MWLCHTKSSA-N 0 0 236.340 2.244 50 0 BEAARN Cc1cccc(NC(=O)N2CCCO2)c1C ZINC000095942357 538614442 /nfs/dbraw/zinc/61/44/42/538614442.db2.gz VBEHIHNRJLRIIF-UHFFFAOYSA-N 0 0 220.272 2.473 50 0 BEAARN CCC[C@H](C)NC(=O)NCc1ccn(C)c1 ZINC000075092511 356817003 /nfs/dbraw/zinc/81/70/03/356817003.db2.gz DUNSLSPEJNMMNX-JTQLQIEISA-N 0 0 223.320 2.013 50 0 BEAARN CCCCc1cc(NC(=O)[C@H]2CCCO2)on1 ZINC000075092677 356817537 /nfs/dbraw/zinc/81/75/37/356817537.db2.gz XTMKVZORLSCVEL-SNVBAGLBSA-N 0 0 238.287 2.135 50 0 BEAARN CN1CCc2c1cccc2NC(=O)N1CCCC1 ZINC000075110606 356841594 /nfs/dbraw/zinc/84/15/94/356841594.db2.gz MIPPDPALUQONJZ-UHFFFAOYSA-N 0 0 245.326 2.307 50 0 BEAARN COC(=O)[C@H](C)N(C(C)=O)c1c(C)cccc1C ZINC000075260384 356927659 /nfs/dbraw/zinc/92/76/59/356927659.db2.gz SQSRTKOJNAFFCW-NSHDSACASA-N 0 0 249.310 2.218 50 0 BEAARN OCCNc1nc2cc(Cl)ccc2s1 ZINC000075279144 356938006 /nfs/dbraw/zinc/93/80/06/356938006.db2.gz VDPZJMCYVFXIAH-UHFFFAOYSA-N 0 0 228.704 2.354 50 0 BEAARN Cc1cccc(NC=C2C[C@H](C)OC2=O)n1 ZINC000075286402 356940146 /nfs/dbraw/zinc/94/01/46/356940146.db2.gz MONSXXXKUNCVOP-CBFJXKFUSA-N 0 0 218.256 2.021 50 0 BEAARN O=C(c1ccoc1)N1CCc2ccccc21 ZINC000021278599 357035828 /nfs/dbraw/zinc/03/58/28/357035828.db2.gz GMODKTBUKVSNNJ-UHFFFAOYSA-N 0 0 213.236 2.483 50 0 BEAARN Cc1nccn1C[C@@H]1COc2ccccc2O1 ZINC000585081118 538793333 /nfs/dbraw/zinc/79/33/33/538793333.db2.gz ZDPKANGNNJDDBO-LLVKDONJSA-N 0 0 230.267 2.032 50 0 BEAARN Cc1cc(N2CCC[C@@H]3C[C@@H]32)nc(C)n1 ZINC000585082685 538794394 /nfs/dbraw/zinc/79/43/94/538794394.db2.gz IIEYORZRMZJJMQ-MNOVXSKESA-N 0 0 203.289 2.082 50 0 BEAARN CSCc1cccc(C(=O)N2CCC2)c1 ZINC000012973393 538780875 /nfs/dbraw/zinc/78/08/75/538780875.db2.gz IXNQHYOEZAKXDF-UHFFFAOYSA-N 0 0 221.325 2.396 50 0 BEAARN Cc1cnc(C(=O)Nc2ccc(F)cc2C)cn1 ZINC000006260301 357228998 /nfs/dbraw/zinc/22/89/98/357228998.db2.gz HYWZNNKSPZYQAD-UHFFFAOYSA-N 0 0 245.257 2.485 50 0 BEAARN CCOC[C@H](C)OC(=O)c1sc(C)nc1C ZINC000190781552 357264896 /nfs/dbraw/zinc/26/48/96/357264896.db2.gz YCTBCNLNEUABBU-ZETCQYMHSA-N 0 0 243.328 2.342 50 0 BEAARN COC[C@H](C)NC(=O)c1ccc(Cl)s1 ZINC000040459924 357382246 /nfs/dbraw/zinc/38/22/46/357382246.db2.gz VHCVWWRXOVSWHO-LURJTMIESA-N 0 0 233.720 2.166 50 0 BEAARN Cc1ccc(Oc2ncnc3c2cnn3C)cc1 ZINC000014204284 538840392 /nfs/dbraw/zinc/84/03/92/538840392.db2.gz VQWYSFXUQTXYAG-UHFFFAOYSA-N 0 0 240.266 2.464 50 0 BEAARN Cn1cccc1C(=O)OCc1ccccc1 ZINC000008944295 538879663 /nfs/dbraw/zinc/87/96/63/538879663.db2.gz LTGQUMUOSKJRBN-UHFFFAOYSA-N 0 0 215.252 2.382 50 0 BEAARN O=c1[nH]c(=O)n(C2CCCC2)cc1C(F)(F)F ZINC000685944113 538887051 /nfs/dbraw/zinc/88/70/51/538887051.db2.gz MPDCEBMSOGCUMT-UHFFFAOYSA-N 0 0 248.204 2.083 50 0 BEAARN Cc1ccc(COC2CN(C(=O)C3CC3)C2)cc1 ZINC000035508943 357673086 /nfs/dbraw/zinc/67/30/86/357673086.db2.gz ATBNXDMNCRKDHR-UHFFFAOYSA-N 0 0 245.322 2.132 50 0 BEAARN Cc1c([C@H](C)NC(=O)C2CCCC2)cnn1C ZINC000025006366 357740352 /nfs/dbraw/zinc/74/03/52/357740352.db2.gz BHOISNYXIFTLCG-VIFPVBQESA-N 0 0 235.331 2.096 50 0 BEAARN NC(=O)c1ccc(-c2cnc3ccccc3c2)nc1 ZINC000065369941 181293706 /nfs/dbraw/zinc/29/37/06/181293706.db2.gz VRVIFLAJTVUIDS-UHFFFAOYSA-N 0 0 249.273 2.396 50 0 BEAARN CC(C)(C)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000012979481 357975065 /nfs/dbraw/zinc/97/50/65/357975065.db2.gz SQDUSWKSWJMUOI-UHFFFAOYSA-N 0 0 244.294 2.012 50 0 BEAARN O=C(c1cnccn1)N1CCC[C@H]2CCCC[C@H]21 ZINC000040473446 358004720 /nfs/dbraw/zinc/00/47/20/358004720.db2.gz IDIZFMNUEFVPKB-DGCLKSJQSA-N 0 0 245.326 2.271 50 0 BEAARN Cc1c(Cl)cccc1NC(=O)c1cn[nH]n1 ZINC000048888955 358061956 /nfs/dbraw/zinc/06/19/56/358061956.db2.gz AXXHISJQFVOAHD-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN CSc1nnc(-c2ccccc2Cl)n1N ZINC000000151022 358081741 /nfs/dbraw/zinc/08/17/41/358081741.db2.gz ACDIPERHWMAFKI-UHFFFAOYSA-N 0 0 240.719 2.034 50 0 BEAARN CC(=O)N[C@@H](C(=O)Nc1ccc(C)cc1)C(C)C ZINC000013016019 358184603 /nfs/dbraw/zinc/18/46/03/358184603.db2.gz NMXNEMDWFHKYBE-CYBMUJFWSA-N 0 0 248.326 2.094 50 0 BEAARN O=C(Cc1ccsc1)N[C@H]1CCC[C@H]1F ZINC000335865601 358223819 /nfs/dbraw/zinc/22/38/19/358223819.db2.gz RPLADTQLDSKHQE-ZJUUUORDSA-N 0 0 227.304 2.297 50 0 BEAARN Nc1nc(-c2ccccn2)nc2ccccc12 ZINC000039630719 358227350 /nfs/dbraw/zinc/22/73/50/358227350.db2.gz MDJLXTFDNXURTH-UHFFFAOYSA-N 0 0 222.251 2.274 50 0 BEAARN CC(C)(C(=O)N1CCC[C@H]1CF)C(F)F ZINC000334664317 358222396 /nfs/dbraw/zinc/22/23/96/358222396.db2.gz RWCANQWCEYILQP-ZETCQYMHSA-N 0 0 223.238 2.238 50 0 BEAARN COC(=O)[C@H](c1ccccc1)c1ccccn1 ZINC000008672978 358432200 /nfs/dbraw/zinc/43/22/00/358432200.db2.gz KKHXWKFQTDTPJB-CYBMUJFWSA-N 0 0 227.263 2.387 50 0 BEAARN COc1cc(C)c(OC)c(OC)c1OC ZINC000014590475 358433398 /nfs/dbraw/zinc/43/33/98/358433398.db2.gz OIWAVVSMXFIBCD-UHFFFAOYSA-N 0 0 212.245 2.029 50 0 BEAARN NC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000007770380 181298407 /nfs/dbraw/zinc/29/84/07/181298407.db2.gz WAAWNDGGFOERAC-LLVKDONJSA-N 0 0 244.294 2.080 50 0 BEAARN Cc1ncsc1CN[C@H](C)c1nccn1C ZINC000070008385 359037975 /nfs/dbraw/zinc/03/79/75/359037975.db2.gz IFVDGSVTKWBILZ-SECBINFHSA-N 0 0 236.344 2.036 50 0 BEAARN Cn1ccnc1SCc1ccncc1 ZINC000077896194 359310318 /nfs/dbraw/zinc/31/03/18/359310318.db2.gz OVIJPJFDCJIBRE-UHFFFAOYSA-N 0 0 205.286 2.107 50 0 BEAARN CCc1nnc(CN2CCCC[C@H]2C)o1 ZINC000054115091 359331274 /nfs/dbraw/zinc/33/12/74/359331274.db2.gz WEQKNQGCYRLQKR-SECBINFHSA-N 0 0 209.293 2.006 50 0 BEAARN Cc1ccc(C(=O)N2CCN(C)C[C@H]2C)c(C)c1 ZINC000089612089 360031252 /nfs/dbraw/zinc/03/12/52/360031252.db2.gz HEFOIPFXMMPPML-CYBMUJFWSA-N 0 0 246.354 2.080 50 0 BEAARN Cc1cnc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cn1 ZINC000089702225 360036067 /nfs/dbraw/zinc/03/60/67/360036067.db2.gz RAXNGXYFVSWNKJ-AAEUAGOBSA-N 0 0 245.326 2.190 50 0 BEAARN COc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000013319997 219812274 /nfs/dbraw/zinc/81/22/74/219812274.db2.gz RJDRLSHRAYLXIA-GXFFZTMASA-N 0 0 249.310 2.051 50 0 BEAARN Cc1ccc(CC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000006699900 360609283 /nfs/dbraw/zinc/60/92/83/360609283.db2.gz OSQAUKKBSOKXSO-GXTWGEPZSA-N 0 0 247.338 2.221 50 0 BEAARN O=C(CCc1ccco1)NC1CCCC1 ZINC000036140137 360658991 /nfs/dbraw/zinc/65/89/91/360658991.db2.gz MBGKPQDVYLDZLG-UHFFFAOYSA-N 0 0 207.273 2.271 50 0 BEAARN NC(=O)c1ccccc1OC1CCCC1 ZINC000095394829 181306322 /nfs/dbraw/zinc/30/63/22/181306322.db2.gz MZVRISJEIOCFDW-UHFFFAOYSA-N 0 0 205.257 2.107 50 0 BEAARN NC(=O)c1cccnc1-c1cccc2cnccc21 ZINC000065489743 181307686 /nfs/dbraw/zinc/30/76/86/181307686.db2.gz VQXVEEZTFRHPGU-UHFFFAOYSA-N 0 0 249.273 2.396 50 0 BEAARN Cc1cccc(S(=O)(=O)NCCC(C)C)c1 ZINC000006207268 200725354 /nfs/dbraw/zinc/72/53/54/200725354.db2.gz WAKOFFYDDWFIMO-UHFFFAOYSA-N 0 0 241.356 2.319 50 0 BEAARN NC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000034971925 181319433 /nfs/dbraw/zinc/31/94/33/181319433.db2.gz NUKZFXJCTVTPSO-UHFFFAOYSA-N 0 0 236.218 2.241 50 0 BEAARN NC(=S)c1cc(-c2ccccc2)ccn1 ZINC000098071603 181320324 /nfs/dbraw/zinc/32/03/24/181320324.db2.gz ZVJKVMYMCJFXAE-UHFFFAOYSA-N 0 0 214.293 2.383 50 0 BEAARN COCc1ccc(CNC(=O)CC(C)C)cc1 ZINC000036390522 361071110 /nfs/dbraw/zinc/07/11/10/361071110.db2.gz ZSGPOLNXMHSSJY-UHFFFAOYSA-N 0 0 235.327 2.495 50 0 BEAARN Cc1cc(C(=O)NCCC(C)(C)C)on1 ZINC000036392361 361075195 /nfs/dbraw/zinc/07/51/95/361075195.db2.gz MSSKCMSGYSRRHB-UHFFFAOYSA-N 0 0 210.277 2.149 50 0 BEAARN CCn1nc(C)nc1-c1ccc2c(c1)OCCO2 ZINC000426380340 200982114 /nfs/dbraw/zinc/98/21/14/200982114.db2.gz HDRQSGLMDVEMRT-UHFFFAOYSA-N 0 0 245.282 2.045 50 0 BEAARN CCCn1nccc1-c1ccc(OCC)nn1 ZINC000426484941 200989649 /nfs/dbraw/zinc/98/96/49/200989649.db2.gz YFJDEMLBLNDAHZ-UHFFFAOYSA-N 0 0 232.287 2.149 50 0 BEAARN COCCOc1ccc(-c2cnn(C)c2C)cc1 ZINC000426683984 200995423 /nfs/dbraw/zinc/99/54/23/200995423.db2.gz VZVIPMVREADUIJ-UHFFFAOYSA-N 0 0 246.310 2.421 50 0 BEAARN Cc1occc1C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000036763494 361397528 /nfs/dbraw/zinc/39/75/28/361397528.db2.gz JTYFZSOOIAWAPD-QMMMGPOBSA-N 0 0 247.298 2.121 50 0 BEAARN Cn1ccnc1CNc1c(F)cccc1F ZINC000036804579 361492550 /nfs/dbraw/zinc/49/25/50/361492550.db2.gz VEBLECPPPOMAJI-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN N=C1NN=C(c2ccc(Cl)cc2)CS1 ZINC000000800319 181339556 /nfs/dbraw/zinc/33/95/56/181339556.db2.gz GIAOPTGPMKOUOK-UHFFFAOYSA-N 0 0 225.704 2.106 50 0 BEAARN COC(=O)C(C)(C)NCc1cccc(C)c1 ZINC000037085258 361654988 /nfs/dbraw/zinc/65/49/88/361654988.db2.gz MZZVGZDGVYUXLG-UHFFFAOYSA-N 0 0 221.300 2.036 50 0 BEAARN COCc1cccc(C(=O)Nc2ccncc2)c1 ZINC000017585565 363838493 /nfs/dbraw/zinc/83/84/93/363838493.db2.gz ZLCKZNMVWBCGDP-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN C/C=C/C=C\COC(=O)c1ccc2nncn2c1 ZINC000252586496 363900844 /nfs/dbraw/zinc/90/08/44/363900844.db2.gz QMPDAZVTSXIJGF-IAROGAJJSA-N 0 0 243.266 2.018 50 0 BEAARN Nc1ncc(-c2ccnc(C(F)F)c2)cn1 ZINC000725273629 541341311 /nfs/dbraw/zinc/34/13/11/541341311.db2.gz QZEOLRVAFBENTR-UHFFFAOYSA-N 0 0 222.198 2.058 50 0 BEAARN [NH3+]CC12C[C@@H]3C[C@H](C1)CC(CC(=O)[O-])(C3)C2 ZINC000014987648 181363842 /nfs/dbraw/zinc/36/38/42/181363842.db2.gz KTRQRZZJQJJSOO-ASZHBFLOSA-N 0 0 223.316 2.006 50 0 BEAARN Brc1ccc(-c2cc[nH]n2)cn1 ZINC000142572386 541505022 /nfs/dbraw/zinc/50/50/22/541505022.db2.gz ZVMHEWIJBABQGK-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN O=C1CCCc2nc(NCc3ccco3)ncc21 ZINC000002444035 370869354 /nfs/dbraw/zinc/86/93/54/370869354.db2.gz FRYQDNQBHLNDPL-UHFFFAOYSA-N 0 0 243.266 2.201 50 0 BEAARN Cn1ccnc1C(=O)Nc1cccc(Cl)c1 ZINC000019891389 368371185 /nfs/dbraw/zinc/37/11/85/368371185.db2.gz DBBCLGUSBAVJPD-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN C=CC(=O)Nc1cc(OC)c(C=O)cc1Cl ZINC000114271981 368341740 /nfs/dbraw/zinc/34/17/40/368341740.db2.gz KWETWUODKYSYSJ-UHFFFAOYSA-N 0 0 239.658 2.286 50 0 BEAARN O=C(N[C@H]1CCCOC1)OCc1ccccc1 ZINC000204338678 368399950 /nfs/dbraw/zinc/39/99/50/368399950.db2.gz BXNIMANJKWUCMH-LBPRGKRZSA-N 0 0 235.283 2.092 50 0 BEAARN COC(=O)c1cnoc1-c1ccccc1 ZINC000144692542 368394066 /nfs/dbraw/zinc/39/40/66/368394066.db2.gz TYADNSMLQAKONG-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN CCc1ccc([C@H](C)C(=O)N(C)C)cc1 ZINC000068100598 368714035 /nfs/dbraw/zinc/71/40/35/368714035.db2.gz ZUFPCKDDAZZORP-JTQLQIEISA-N 0 0 205.301 2.441 50 0 BEAARN COc1ccc2ncn(CC3CCC3)c(=O)c2c1 ZINC000584884384 369033037 /nfs/dbraw/zinc/03/30/37/369033037.db2.gz MPEJBFQCOYHPSC-UHFFFAOYSA-N 0 0 244.294 2.205 50 0 BEAARN O=C(CCc1cn[nH]c1)NCCCC1CCCC1 ZINC000584891128 369038748 /nfs/dbraw/zinc/03/87/48/369038748.db2.gz XYOOVPPDFMNHPI-UHFFFAOYSA-N 0 0 249.358 2.429 50 0 BEAARN CCCOC[C@@H]1CCN(C(=O)CCSC)C1 ZINC000584892244 369039367 /nfs/dbraw/zinc/03/93/67/369039367.db2.gz LZVJKNVMLXDPGF-LLVKDONJSA-N 0 0 245.388 2.015 50 0 BEAARN CSCCC(=O)NCCCC[C@H]1CCCO1 ZINC000584898241 369045557 /nfs/dbraw/zinc/04/55/57/369045557.db2.gz JWCSELWLVVBKFA-NSHDSACASA-N 0 0 245.388 2.205 50 0 BEAARN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)OC ZINC000106836524 369191905 /nfs/dbraw/zinc/19/19/05/369191905.db2.gz JJTVJYIRQKTDEE-QJPTWQEYSA-N 0 0 227.348 2.496 50 0 BEAARN CSCC(=O)N(C)c1ccc(F)cc1 ZINC000055745395 369340332 /nfs/dbraw/zinc/34/03/32/369340332.db2.gz FDMZRWKDEJFVSE-UHFFFAOYSA-N 0 0 213.277 2.152 50 0 BEAARN CCOC(=O)c1ccnc(OC)c1C(F)(F)F ZINC000514278277 369728126 /nfs/dbraw/zinc/72/81/26/369728126.db2.gz NOHATOHBYOBHTD-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN Cc1c(C(=O)Nc2cc(F)ccc2C)cnn1C ZINC000008757033 370366639 /nfs/dbraw/zinc/36/66/39/370366639.db2.gz NKLOZAQJVFTSMI-UHFFFAOYSA-N 0 0 247.273 2.428 50 0 BEAARN Cc1ccc2c(c1NC(N)=S)CCCN2 ZINC000002384388 370419739 /nfs/dbraw/zinc/41/97/39/370419739.db2.gz YYAUBNMHLUTUHY-UHFFFAOYSA-N 0 0 221.329 2.009 50 0 BEAARN CCc1cc(CNC(=O)c2ccc(F)cc2)on1 ZINC000078136773 370540622 /nfs/dbraw/zinc/54/06/22/370540622.db2.gz RGEGFTBWBONWQE-UHFFFAOYSA-N 0 0 248.257 2.306 50 0 BEAARN COC(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000020086461 370570429 /nfs/dbraw/zinc/57/04/29/370570429.db2.gz DRNNCTWUXGVOFA-QMMMGPOBSA-N 0 0 227.329 2.189 50 0 BEAARN CCCc1ncc(C(=O)O[C@@H]2CCOC2)s1 ZINC000078948251 371158215 /nfs/dbraw/zinc/15/82/15/371158215.db2.gz YJNGKQVLUIEZEY-MRVPVSSYSA-N 0 0 241.312 2.041 50 0 BEAARN NNC(=S)Nc1cc(Cl)ccc1Cl ZINC000004254777 181517277 /nfs/dbraw/zinc/51/72/77/181517277.db2.gz XBDSQQOEXKOZJQ-UHFFFAOYSA-N 0 0 236.127 2.154 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000000054333 181539220 /nfs/dbraw/zinc/53/92/20/181539220.db2.gz ACJWNKAQMZQVBW-QMMMGPOBSA-N 0 0 234.082 2.468 50 0 BEAARN NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000004176772 181530346 /nfs/dbraw/zinc/53/03/46/181530346.db2.gz JVFCCRJSBNUDDU-UHFFFAOYSA-N 0 0 233.292 2.001 50 0 in-vitro BEAARN O=C([C@@H]1CC=CCC1)N1CC[C@@H](OCC2CC2)C1 ZINC000390832020 371238900 /nfs/dbraw/zinc/23/89/00/371238900.db2.gz WQQFHYYRBKICTJ-ZIAGYGMSSA-N 0 0 249.354 2.370 50 0 BEAARN CCc1[nH]nc(NCc2nc(C)ccc2O)c1C ZINC000095427577 371283373 /nfs/dbraw/zinc/28/33/73/371283373.db2.gz CVHUVUHOYRTVBH-UHFFFAOYSA-N 0 0 246.314 2.302 50 0 BEAARN Nc1c(N2CCCC2)cccc1N1CCCC1 ZINC000057218469 181671391 /nfs/dbraw/zinc/67/13/91/181671391.db2.gz LEYUOSZXXOFUDI-UHFFFAOYSA-N 0 0 231.343 2.469 50 0 BEAARN Nc1cc(Br)cc(C(F)(F)F)n1 ZINC000095761639 181677621 /nfs/dbraw/zinc/67/76/21/181677621.db2.gz HAHXGHOCCWZKAV-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN Nc1ccc(Br)c(Cl)n1 ZINC000038538336 181698424 /nfs/dbraw/zinc/69/84/24/181698424.db2.gz BUTBOALODZMXJV-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Nc1ccc(Br)cc1-c1cn[nH]c1 ZINC000228984268 181698663 /nfs/dbraw/zinc/69/86/63/181698663.db2.gz SQMHYCNEKQZEQI-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000020193348 181701380 /nfs/dbraw/zinc/70/13/80/181701380.db2.gz UWFGALDXHXLRQD-UHFFFAOYSA-N 0 0 244.269 2.338 50 0 BEAARN CN(C(=O)N1CN(C)C(C)(C)C1)c1ccccc1 ZINC000096027757 371383458 /nfs/dbraw/zinc/38/34/58/371383458.db2.gz OZJFNEQUZLEIJY-UHFFFAOYSA-N 0 0 247.342 2.226 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)/C=C\c1cnn(C)c1 ZINC000096400575 371485660 /nfs/dbraw/zinc/48/56/60/371485660.db2.gz UEBGSNFRRBULCL-MEJMFZKBSA-N 0 0 247.342 2.224 50 0 BEAARN Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000007468685 181740060 /nfs/dbraw/zinc/74/00/60/181740060.db2.gz HYPNOUVIFRUUJZ-UHFFFAOYSA-N 0 0 218.300 2.285 50 0 BEAARN CCc1ncsc1NC(=O)[C@@]1(C)C[C@@H]1F ZINC000335102722 371524437 /nfs/dbraw/zinc/52/44/37/371524437.db2.gz IMWYCJSGLXQMNZ-XVKPBYJWSA-N 0 0 228.292 2.392 50 0 BEAARN O=C(Nc1nncs1)[C@H]1CCC[C@@H](F)C1 ZINC000335099071 371524692 /nfs/dbraw/zinc/52/46/92/371524692.db2.gz UAQPOMBAGPFOBD-NKWVEPMBSA-N 0 0 229.280 2.005 50 0 BEAARN Nc1cccnc1OCc1ccccc1 ZINC000008698256 181759357 /nfs/dbraw/zinc/75/93/57/181759357.db2.gz RAXDMIDMGLJYQC-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN Nc1ccnc(OCc2ccccc2)c1 ZINC000043569349 181763019 /nfs/dbraw/zinc/76/30/19/181763019.db2.gz RYFNILBIJULGJO-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN CCCc1cc(C(=O)N[C@@H](C)CC)no1 ZINC000002498049 371560435 /nfs/dbraw/zinc/56/04/35/371560435.db2.gz HQLCBGHPKYULGV-QMMMGPOBSA-N 0 0 210.277 2.155 50 0 BEAARN Nc1nc2n(c1C(=O)c1ccccc1)CCCC2 ZINC000012375947 181794244 /nfs/dbraw/zinc/79/42/44/181794244.db2.gz WRUUDGMHDPEWDI-UHFFFAOYSA-N 0 0 241.294 2.033 50 0 BEAARN Nc1ncnc2c(F)cc(Br)cc12 ZINC000067172960 181808207 /nfs/dbraw/zinc/80/82/07/181808207.db2.gz UNVPWZRBRPYSDL-UHFFFAOYSA-N 0 0 242.051 2.114 50 0 BEAARN Nc1noc(-c2cccc3ccccc32)n1 ZINC000032624097 181816378 /nfs/dbraw/zinc/81/63/78/181816378.db2.gz BIVFLWKKMZTGLA-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN Nc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000019407414 181813850 /nfs/dbraw/zinc/81/38/50/181813850.db2.gz FFFGKVGSCXXDAC-UHFFFAOYSA-N 0 0 229.161 2.338 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1C ZINC000003443039 371995185 /nfs/dbraw/zinc/99/51/85/371995185.db2.gz JOXNDFIMRHMELY-LLVKDONJSA-N 0 0 241.356 2.380 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000031257107 372033551 /nfs/dbraw/zinc/03/35/51/372033551.db2.gz JABPLQKEBIBPDY-SSDOTTSWSA-N 0 0 234.255 2.106 50 0 BEAARN COC1CCC(OC(=O)/C=C\C2CC2)CC1 ZINC000606442940 372103583 /nfs/dbraw/zinc/10/35/83/372103583.db2.gz RBBTYCPXUHBUOT-WTKPLQERSA-N 0 0 224.300 2.453 50 0 BEAARN CC(C)(C)c1noc(/C=C\c2ncc[nH]2)n1 ZINC000606445865 372104426 /nfs/dbraw/zinc/10/44/26/372104426.db2.gz HOGBPWFDOBPNHF-PLNGDYQASA-N 0 0 218.260 2.261 50 0 BEAARN CCCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000004276195 372192900 /nfs/dbraw/zinc/19/29/00/372192900.db2.gz POKGJDRCDVRGQK-UHFFFAOYSA-N 0 0 231.255 2.475 50 0 BEAARN CCOc1ccc(C2N=NC(=S)N2)cc1 ZINC000004282394 372193929 /nfs/dbraw/zinc/19/39/29/372193929.db2.gz QSZIYNKGEUXAHS-UHFFFAOYSA-N 0 0 221.285 2.159 50 0 BEAARN O=C(CCC1CCCC1)Nc1ncccn1 ZINC000000505467 181907463 /nfs/dbraw/zinc/90/74/63/181907463.db2.gz JZTBJXYLRPYEEV-UHFFFAOYSA-N 0 0 219.288 2.386 50 0 BEAARN O=C(CCC1CCCCC1)N1CCOCC1 ZINC000000460647 181907789 /nfs/dbraw/zinc/90/77/89/181907789.db2.gz KUIOCGNNDZSGKS-UHFFFAOYSA-N 0 0 225.332 2.206 50 0 BEAARN CC(C)(C)SCCNC(=O)C1CCC1 ZINC000066739173 372533231 /nfs/dbraw/zinc/53/32/31/372533231.db2.gz CHZASDRQNHGWMV-UHFFFAOYSA-N 0 0 215.362 2.434 50 0 BEAARN O=C(CCc1cccnc1)Nc1ccccn1 ZINC000048333962 181932950 /nfs/dbraw/zinc/93/29/50/181932950.db2.gz STFRFXCPAMFDKE-UHFFFAOYSA-N 0 0 227.267 2.048 50 0 BEAARN CCCCCSc1nc(O)cc(=O)[nH]1 ZINC000008625454 372815040 /nfs/dbraw/zinc/81/50/40/372815040.db2.gz PZFSMTJJBIHJDT-UHFFFAOYSA-N 0 0 214.290 2.170 50 0 BEAARN CC(C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000038935390 372817803 /nfs/dbraw/zinc/81/78/03/372817803.db2.gz UDXUENGTHMUETK-VIFPVBQESA-N 0 0 211.330 2.451 50 0 BEAARN O=C(COC(=O)C1CCC1)c1ccccc1 ZINC000003255238 181990762 /nfs/dbraw/zinc/99/07/62/181990762.db2.gz XKPQEXMVXODIDJ-UHFFFAOYSA-N 0 0 218.252 2.213 50 0 BEAARN O=C(CSC(F)(F)F)NCc1ccco1 ZINC000040513816 182005969 /nfs/dbraw/zinc/00/59/69/182005969.db2.gz VBWXFOCJNOCXMM-UHFFFAOYSA-N 0 0 239.218 2.149 50 0 BEAARN O=C(CSC(F)(F)F)NCC1CCC1 ZINC000048181123 182006436 /nfs/dbraw/zinc/00/64/36/182006436.db2.gz XFTRSFOXCJQBEU-UHFFFAOYSA-N 0 0 227.251 2.156 50 0 BEAARN O=C(COc1ccccc1)NCc1cccs1 ZINC000005419092 182003233 /nfs/dbraw/zinc/00/32/33/182003233.db2.gz MQYRDHYHMRJVBO-UHFFFAOYSA-N 0 0 247.319 2.443 50 0 BEAARN O=C(COc1ccccc1Cl)N1CCCC1 ZINC000000455439 182003365 /nfs/dbraw/zinc/00/33/65/182003365.db2.gz ODNNZQMPKDHECR-UHFFFAOYSA-N 0 0 239.702 2.341 50 0 BEAARN O=C(CSCc1ccccc1)NC1CC1 ZINC000000037691 182009081 /nfs/dbraw/zinc/00/90/81/182009081.db2.gz ZLJUHJRDKHNVSA-UHFFFAOYSA-N 0 0 221.325 2.198 50 0 BEAARN O=C(CSc1ccccn1)NCc1ccco1 ZINC000007699762 182010610 /nfs/dbraw/zinc/01/06/10/182010610.db2.gz SFMIAKMCCVFNQG-UHFFFAOYSA-N 0 0 248.307 2.083 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NC[C@@H]1CCCS1 ZINC000089598147 182013718 /nfs/dbraw/zinc/01/37/18/182013718.db2.gz KLRJGAWAKTXEJR-MNOVXSKESA-N 0 0 225.357 2.355 50 0 BEAARN O=C(C[C@H]1C=CCC1)NC[C@H]1CCCS1 ZINC000089598144 182024702 /nfs/dbraw/zinc/02/47/02/182024702.db2.gz KLRJGAWAKTXEJR-WDEREUQCSA-N 0 0 225.357 2.355 50 0 BEAARN O=C(C[C@H]1C=CCC1)N=c1[nH]c2ccccc2[nH]1 ZINC000017304193 182024730 /nfs/dbraw/zinc/02/47/30/182024730.db2.gz PBCQOZAJGSVUSI-JTQLQIEISA-N 0 0 241.294 2.280 50 0 BEAARN CCCc1cc(=O)n2nc(-c3ccco3)nc2[nH]1 ZINC000008828749 372912270 /nfs/dbraw/zinc/91/22/70/372912270.db2.gz QHXLGESAWLKILX-UHFFFAOYSA-N 0 0 244.254 2.042 50 0 BEAARN O=C(Cc1ccc(Cl)cc1)Nc1ncccn1 ZINC000000030531 182036034 /nfs/dbraw/zinc/03/60/34/182036034.db2.gz RHMYHGQXWBKCMJ-UHFFFAOYSA-N 0 0 247.685 2.311 50 0 BEAARN O=C(Cc1cccc2cccnc21)NC1CC1 ZINC000040485785 182043426 /nfs/dbraw/zinc/04/34/26/182043426.db2.gz WKQGSEKLCKACJR-UHFFFAOYSA-N 0 0 226.279 2.056 50 0 BEAARN O=C(Cc1ccccc1F)Nc1ccncc1 ZINC000017584943 182044908 /nfs/dbraw/zinc/04/49/08/182044908.db2.gz TYNOTPFBXITTFP-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN O=C(Cc1ccccc1Cl)Nc1cn[nH]c1 ZINC000035237404 182045373 /nfs/dbraw/zinc/04/53/73/182045373.db2.gz VRHQKRVRGFLHBQ-UHFFFAOYSA-N 0 0 235.674 2.244 50 0 BEAARN O=C(Cc1cccs1)N[C@@H]1CC[C@@H](F)C1 ZINC000336560649 182052803 /nfs/dbraw/zinc/05/28/03/182052803.db2.gz BVUVBSUZUPPJBB-RKDXNWHRSA-N 0 0 227.304 2.297 50 0 BEAARN CCc1ccc(C(=O)N(C)Cc2cc(C)on2)o1 ZINC000040088952 373103475 /nfs/dbraw/zinc/10/34/75/373103475.db2.gz NDWXUQXIWJQBGU-UHFFFAOYSA-N 0 0 248.282 2.411 50 0 BEAARN O=C(N1CCCC1)C1(c2cccc(F)c2)CC1 ZINC000098010217 182079641 /nfs/dbraw/zinc/07/96/41/182079641.db2.gz PYELQLXIFUEUFO-UHFFFAOYSA-N 0 0 233.286 2.480 50 0 BEAARN O=C(N1CCCC1)C1(c2ccccc2F)CC1 ZINC000062063825 182079616 /nfs/dbraw/zinc/07/96/16/182079616.db2.gz VAEPMOIKCDJSTG-UHFFFAOYSA-N 0 0 233.286 2.480 50 0 BEAARN O=C(N1CCCC1)C(F)(F)Oc1ccccc1 ZINC000003134890 182080104 /nfs/dbraw/zinc/08/01/04/182080104.db2.gz QMUBVVVZFINYGO-UHFFFAOYSA-N 0 0 241.237 2.281 50 0 BEAARN O=C(N=S1CCCC1)C(Cl)(Cl)Cl ZINC000004530631 182084682 /nfs/dbraw/zinc/08/46/82/182084682.db2.gz LNBNCOGHHLHNEO-UHFFFAOYSA-N 0 0 248.562 2.479 50 0 BEAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 ZINC000004628333 182092237 /nfs/dbraw/zinc/09/22/37/182092237.db2.gz LFNKEMHLHNYJOK-OEXLFXSVSA-N 0 0 249.354 2.250 50 0 BEAARN O=C(NC1=NCCS1)[C@H]1C[C@H]1c1ccccc1 ZINC000002737102 182093198 /nfs/dbraw/zinc/09/31/98/182093198.db2.gz KRMDOGUODZDKRY-QWRGUYRKSA-N 0 0 246.335 2.009 50 0 BEAARN CON(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000040415043 373250179 /nfs/dbraw/zinc/25/01/79/373250179.db2.gz TULTZWHNOJBPGT-UHFFFAOYSA-N 0 0 232.283 2.418 50 0 BEAARN O=C(CCCc1cccs1)NC1CC1 ZINC000040459689 373278641 /nfs/dbraw/zinc/27/86/41/373278641.db2.gz LDRWVRSPCDLRQE-UHFFFAOYSA-N 0 0 209.314 2.349 50 0 BEAARN O=C(NC1CC1)c1ccc(Cl)s1 ZINC000008034998 182100654 /nfs/dbraw/zinc/10/06/54/182100654.db2.gz IUWRFPZFYWEXGJ-UHFFFAOYSA-N 0 0 201.678 2.294 50 0 BEAARN O=C(NC1CC1)c1ccccc1Br ZINC000000356133 182101023 /nfs/dbraw/zinc/10/10/23/182101023.db2.gz NRICRLWCYABOSB-UHFFFAOYSA-N 0 0 240.100 2.341 50 0 BEAARN O=C(NC1CCC(F)(F)CC1)C1CCC1 ZINC000341522850 182101838 /nfs/dbraw/zinc/10/18/38/182101838.db2.gz JBOZLTASSAHLID-UHFFFAOYSA-N 0 0 217.259 2.481 50 0 BEAARN O=C(NC1CC1)c1cc(Cl)ccc1F ZINC000012973027 182099419 /nfs/dbraw/zinc/09/94/19/182099419.db2.gz VFAFMNLOCWOKPH-UHFFFAOYSA-N 0 0 213.639 2.371 50 0 BEAARN O=C(NC1CC1)c1ccc(-n2cccc2)cc1 ZINC000001384320 182100004 /nfs/dbraw/zinc/10/00/04/182100004.db2.gz XQPXMYNJQGMBNI-UHFFFAOYSA-N 0 0 226.279 2.370 50 0 BEAARN C[C@H](NC(=O)C[C@H]1C=CCC1)[C@H]1CCCO1 ZINC000040509093 373375419 /nfs/dbraw/zinc/37/54/19/373375419.db2.gz FNTBMUSIRMAWMP-SDDRHHMPSA-N 0 0 223.316 2.026 50 0 BEAARN O=C(NC1CCCCC1)c1ccccc1O ZINC000000389183 182114024 /nfs/dbraw/zinc/11/40/24/182114024.db2.gz HYLCRKVCRPLFRE-UHFFFAOYSA-N 0 0 219.284 2.455 50 0 BEAARN Cc1cc(C(=O)N(Cc2ccco2)C2CC2)on1 ZINC000040497026 373335045 /nfs/dbraw/zinc/33/50/45/373335045.db2.gz XBCXMRUYDVIOSS-UHFFFAOYSA-N 0 0 246.266 2.381 50 0 BEAARN O=C(NC1CCCCCCC1)C1=COCCO1 ZINC000004163992 182113778 /nfs/dbraw/zinc/11/37/78/182113778.db2.gz DFJZPYUMIBIDLO-UHFFFAOYSA-N 0 0 239.315 2.104 50 0 BEAARN O=C(NC1CCCC1)c1ccccc1O ZINC000005583642 182110983 /nfs/dbraw/zinc/11/09/83/182110983.db2.gz UVXPTNQUYBGLKC-UHFFFAOYSA-N 0 0 205.257 2.065 50 0 BEAARN O=C(NCC(F)(F)F)c1ccc(F)cc1 ZINC000037485834 182123161 /nfs/dbraw/zinc/12/31/61/182123161.db2.gz AUGRKUMBGPLQSO-UHFFFAOYSA-N 0 0 221.153 2.118 50 0 BEAARN CC(C)CO[C@H](C)C(=O)NC1CCCCC1 ZINC000040521110 373444391 /nfs/dbraw/zinc/44/43/91/373444391.db2.gz MEUGAQAANFMQGX-LLVKDONJSA-N 0 0 227.348 2.496 50 0 BEAARN Cc1ccc(NC(=O)CCOCC(C)C)nc1 ZINC000040525026 373448736 /nfs/dbraw/zinc/44/87/36/373448736.db2.gz NXXVRFPPCQUFOC-UHFFFAOYSA-N 0 0 236.315 2.391 50 0 BEAARN CS[C@H](C)C(=O)NCCc1ccsc1 ZINC000040525098 373449207 /nfs/dbraw/zinc/44/92/07/373449207.db2.gz JMIJZCAOKCIOHA-MRVPVSSYSA-N 0 0 229.370 2.158 50 0 BEAARN COCc1cccc(NC(=O)NC(C)C)c1 ZINC000040527040 373453977 /nfs/dbraw/zinc/45/39/77/373453977.db2.gz UESDROVKXVAVDX-UHFFFAOYSA-N 0 0 222.288 2.363 50 0 BEAARN Cc1ncsc1C(=O)N(C)Cc1ccco1 ZINC000040529684 373458544 /nfs/dbraw/zinc/45/85/44/373458544.db2.gz WPMXZTDLSBAFCP-UHFFFAOYSA-N 0 0 236.296 2.317 50 0 BEAARN O=C(NCC1CC1)c1ccc(Cl)cc1 ZINC000032906067 182141620 /nfs/dbraw/zinc/14/16/20/182141620.db2.gz ALMPNQBKMACVAC-UHFFFAOYSA-N 0 0 209.676 2.480 50 0 BEAARN CCCCC(=O)NCc1nc2ccccc2[nH]1 ZINC000009219519 373581290 /nfs/dbraw/zinc/58/12/90/373581290.db2.gz GOSUQDHMTFKDNW-UHFFFAOYSA-N 0 0 231.299 2.369 50 0 BEAARN O=C(NCC1CCC1)Nc1cccnc1 ZINC000047956080 182143766 /nfs/dbraw/zinc/14/37/66/182143766.db2.gz ROPAJXOJPIPOMK-UHFFFAOYSA-N 0 0 205.261 2.003 50 0 BEAARN O=C(NCCCC1CCCC1)c1cccc[n+]1[O-] ZINC000052338354 182160573 /nfs/dbraw/zinc/16/05/73/182160573.db2.gz NTFXIUCLVRWRPS-UHFFFAOYSA-N 0 0 248.326 2.020 50 0 BEAARN O=C(NCCC[C@H]1CCOC1)Nc1cccnc1 ZINC000299771684 182176245 /nfs/dbraw/zinc/17/62/45/182176245.db2.gz VYZBIKAWDPDREO-NSHDSACASA-N 0 0 249.314 2.020 50 0 BEAARN O=C(NCCCOc1ccccc1)NCC1CC1 ZINC000029727322 182173373 /nfs/dbraw/zinc/17/33/73/182173373.db2.gz ZFGXKZCGGBDSBF-UHFFFAOYSA-N 0 0 248.326 2.165 50 0 BEAARN O=C(NCCCn1cccn1)Nc1ccccc1 ZINC000028579425 182176639 /nfs/dbraw/zinc/17/66/39/182176639.db2.gz UFAGEWSTHDTCGM-UHFFFAOYSA-N 0 0 244.298 2.095 50 0 BEAARN CCCCNC(=O)N[C@H](C)c1cccnc1 ZINC000013331936 168852926 /nfs/dbraw/zinc/85/29/26/168852926.db2.gz SYRZATJHFQIMCP-SNVBAGLBSA-N 0 0 221.304 2.242 50 0 BEAARN O=C(NCCc1cccnc1)Nc1ccccc1 ZINC000012539531 182206204 /nfs/dbraw/zinc/20/62/04/182206204.db2.gz YNCBGPBSZWXJOS-UHFFFAOYSA-N 0 0 241.294 2.446 50 0 BEAARN O=C(NCC[C@@H](O)c1ccsc1)C1CCC1 ZINC000217524040 182198897 /nfs/dbraw/zinc/19/88/97/182198897.db2.gz REEQHXDVPBHZIN-LLVKDONJSA-N 0 0 239.340 2.088 50 0 BEAARN O=C(NCCc1ccc(Cl)cc1)n1ccnc1 ZINC000015554288 182201211 /nfs/dbraw/zinc/20/12/11/182201211.db2.gz LIDZIBIFJJHBTN-UHFFFAOYSA-N 0 0 249.701 2.337 50 0 BEAARN O=C(NCCc1cccc(F)c1)c1ccco1 ZINC000012976869 182202729 /nfs/dbraw/zinc/20/27/29/182202729.db2.gz RPQMQPHATPNVPJ-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1ccccc1)c1ccncc1 ZINC000000360839 182204319 /nfs/dbraw/zinc/20/43/19/182204319.db2.gz GPFZCAXPOCRRIN-UHFFFAOYSA-N 0 0 226.279 2.054 50 0 BEAARN O=C(NCCc1cccs1)c1ccncc1 ZINC000036622743 182208941 /nfs/dbraw/zinc/20/89/41/182208941.db2.gz MBRRKSONRBUYSE-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN Fc1ccc(F)c(Nc2ncnc3n[nH]cc32)c1 ZINC000041121193 374111670 /nfs/dbraw/zinc/11/16/70/374111670.db2.gz VLZGMRWGYSMRSY-UHFFFAOYSA-N 0 0 247.208 2.375 50 0 BEAARN CCCC[C@H](C)n1[nH]c(=O)c2c1[nH]c(=O)cc2C ZINC000009359789 374102687 /nfs/dbraw/zinc/10/26/87/374102687.db2.gz IFSZEJZEMKAYGZ-VIFPVBQESA-N 0 0 249.314 2.490 50 0 BEAARN CC/C=C/C(=O)NCCOc1cccc(F)c1 ZINC000069967456 374104160 /nfs/dbraw/zinc/10/41/60/374104160.db2.gz UFJAIRKIOQBUBI-XVNBXDOJSA-N 0 0 237.274 2.287 50 0 BEAARN Cc1cc(C(=O)NC(C)C)nn1-c1ccccc1 ZINC000041453698 374141220 /nfs/dbraw/zinc/14/12/20/374141220.db2.gz ROZZQIPXYILHCD-UHFFFAOYSA-N 0 0 243.310 2.319 50 0 BEAARN Cc1cccc(-c2nc3[nH]c(C)cc(=O)n3n2)c1 ZINC000009607557 374176629 /nfs/dbraw/zinc/17/66/29/374176629.db2.gz MSLBUJIVKXWZMW-UHFFFAOYSA-N 0 0 240.266 2.114 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1cccc2cc[nH]c21 ZINC000001742767 182238971 /nfs/dbraw/zinc/23/89/71/182238971.db2.gz AQZAJZOYMDIJGY-LLVKDONJSA-N 0 0 244.294 2.077 50 0 BEAARN O=C(NCc1cccc(Cl)c1)c1cnccn1 ZINC000001052241 182254830 /nfs/dbraw/zinc/25/48/30/182254830.db2.gz WGLFRRJDXGJDLB-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN CC[C@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC000041880942 374206278 /nfs/dbraw/zinc/20/62/78/374206278.db2.gz NXJBATIFKJUKOS-JTQLQIEISA-N 0 0 222.288 2.245 50 0 BEAARN O=C(NCc1ccc(F)cc1)N1CCCC1 ZINC000036398006 182250370 /nfs/dbraw/zinc/25/03/70/182250370.db2.gz WEMYLJMBIZZVOT-UHFFFAOYSA-N 0 0 222.263 2.131 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1cccnc1 ZINC000000461796 182250788 /nfs/dbraw/zinc/25/07/88/182250788.db2.gz VBKLNLNPAJFRBR-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccc2c(c1)CCO2)C1CCC1 ZINC000001034861 182251938 /nfs/dbraw/zinc/25/19/38/182251938.db2.gz LZHXFARBZBCWGY-UHFFFAOYSA-N 0 0 231.295 2.038 50 0 BEAARN O=C(NCc1ccccc1)Nc1nccs1 ZINC000006701536 182255431 /nfs/dbraw/zinc/25/54/31/182255431.db2.gz LKRVUHGESWILCZ-UHFFFAOYSA-N 0 0 233.296 2.465 50 0 BEAARN O=C(NCc1ccco1)c1ccnc(Cl)c1 ZINC000000166945 182263178 /nfs/dbraw/zinc/26/31/78/182263178.db2.gz VKBAYCJFHARJOS-UHFFFAOYSA-N 0 0 236.658 2.258 50 0 BEAARN O=C(NCc1cccs1)c1ccccc1O ZINC000000139676 182264391 /nfs/dbraw/zinc/26/43/91/182264391.db2.gz XTDYYXLPYSQGGZ-UHFFFAOYSA-N 0 0 233.292 2.384 50 0 BEAARN O=C(NCc1ccccc1)C1CCCC1 ZINC000000362269 182256120 /nfs/dbraw/zinc/25/61/20/182256120.db2.gz NYEKJXFFMSUNGR-UHFFFAOYSA-N 0 0 203.285 2.493 50 0 BEAARN O=C(NCc1ccncc1)c1ccc(F)cc1F ZINC000016385278 182265787 /nfs/dbraw/zinc/26/57/87/182265787.db2.gz ZZLHTWYGYKGLJY-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccccc1Cl)n1ccnc1 ZINC000032628659 182256843 /nfs/dbraw/zinc/25/68/43/182256843.db2.gz XOOSGTFXIGLDJV-UHFFFAOYSA-N 0 0 235.674 2.294 50 0 BEAARN O=C(NCc1ccccc1Cl)C1CC1 ZINC000000477139 182256863 /nfs/dbraw/zinc/25/68/63/182256863.db2.gz XVFIWAOLHBWJBV-UHFFFAOYSA-N 0 0 209.676 2.366 50 0 BEAARN O=C(NCc1ccccc1)c1cccnc1 ZINC000000283888 182257264 /nfs/dbraw/zinc/25/72/64/182257264.db2.gz JIAOUYONZMRJJD-UHFFFAOYSA-N 0 0 212.252 2.012 50 0 BEAARN O=C(NCc1cccs1)NCc1ccccn1 ZINC000048727677 182258191 /nfs/dbraw/zinc/25/81/91/182258191.db2.gz CPVVEWIQGRTXKZ-UHFFFAOYSA-N 0 0 247.323 2.143 50 0 BEAARN O=C(NCc1ccccc1F)c1cccnc1 ZINC000001056269 182258713 /nfs/dbraw/zinc/25/87/13/182258713.db2.gz VWHVYGBLBQARMI-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccccn1)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000005044991 182259228 /nfs/dbraw/zinc/25/92/28/182259228.db2.gz WPKAHZWKGMWFDM-LOWVWBTDSA-N 0 0 230.311 2.134 50 0 BEAARN Cc1cs/c(=N\c2ccccc2)n1CCCO ZINC000010187310 374278326 /nfs/dbraw/zinc/27/83/26/374278326.db2.gz DEDDWXLNLCKODB-YPKPFQOOSA-N 0 0 248.351 2.473 50 0 BEAARN O=C(NCc1cccnc1)c1cc(Cl)ccn1 ZINC000012539184 182261190 /nfs/dbraw/zinc/26/11/90/182261190.db2.gz GDLYHEHQBRVQQG-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)N[C@@H](C)C1CC1 ZINC000071798775 374293615 /nfs/dbraw/zinc/29/36/15/374293615.db2.gz PWPOYPFSTAPMAS-DTWKUNHWSA-N 0 0 210.321 2.225 50 0 BEAARN O=C(NN1CCCCCC1)c1ccccc1F ZINC000000383852 182278445 /nfs/dbraw/zinc/27/84/45/182278445.db2.gz HCEUPXHUECCPBR-UHFFFAOYSA-N 0 0 236.290 2.347 50 0 BEAARN C[C@@H](O)c1nc2ccc(-c3cnn(C)c3)cc2[nH]1 ZINC000426428744 206048780 /nfs/dbraw/zinc/04/87/80/206048780.db2.gz INHIVLGELXDUIJ-MRVPVSSYSA-N 0 0 242.282 2.017 50 0 BEAARN CCCCNC(=O)c1ccc(OC(C)=O)cc1 ZINC000005419819 168862369 /nfs/dbraw/zinc/86/23/69/168862369.db2.gz VSWRDTRYMKHFOB-UHFFFAOYSA-N 0 0 235.283 2.142 50 0 BEAARN O=C(N[C@H]1CCC[C@H](O)C1)OCc1ccccc1 ZINC000034547097 182332844 /nfs/dbraw/zinc/33/28/44/182332844.db2.gz FYIZIYCXUSGNLZ-STQMWFEESA-N 0 0 249.310 2.216 50 0 BEAARN O=C(N[C@H]1CC=CCC1)c1c(O)cccc1F ZINC000185471077 182327614 /nfs/dbraw/zinc/32/76/14/182327614.db2.gz JIHLKFWVLCEAOU-VIFPVBQESA-N 0 0 235.258 2.370 50 0 BEAARN O=C(N[C@H]1CCCOc2ccccc21)C1CC1 ZINC000058379976 182331607 /nfs/dbraw/zinc/33/16/07/182331607.db2.gz NMEATMYUGSWZNE-LBPRGKRZSA-N 0 0 231.295 2.427 50 0 BEAARN O=C(N[C@H]1CCCc2occc21)c1ccncc1 ZINC000012874345 182333667 /nfs/dbraw/zinc/33/36/67/182333667.db2.gz ZGGHFTYPFIEUPY-LBPRGKRZSA-N 0 0 242.278 2.482 50 0 BEAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc[nH]1 ZINC000071802308 182338819 /nfs/dbraw/zinc/33/88/19/182338819.db2.gz UGNNTZDRAXRCQF-NSHDSACASA-N 0 0 242.278 2.268 50 0 BEAARN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccn[nH]1 ZINC000098013214 182344653 /nfs/dbraw/zinc/34/46/53/182344653.db2.gz BPKXLFHVBLQOGN-JQWIXIFHSA-N 0 0 233.315 2.108 50 0 BEAARN O=C(Nc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000029951575 182351452 /nfs/dbraw/zinc/35/14/52/182351452.db2.gz HHVVGBOVIZUEEF-UHFFFAOYSA-N 0 0 227.267 2.221 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)N1CCOCC1 ZINC000000227429 182353195 /nfs/dbraw/zinc/35/31/95/182353195.db2.gz CJZZDRMAUJOWAD-UHFFFAOYSA-N 0 0 240.690 2.204 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)c1ccc(=O)[nH]c1 ZINC000014429371 182354485 /nfs/dbraw/zinc/35/44/85/182354485.db2.gz RCNOFDYZWOTAOC-UHFFFAOYSA-N 0 0 248.669 2.281 50 0 BEAARN O=C(Nc1ccc(F)cc1)Nc1cnccn1 ZINC000000401902 182355765 /nfs/dbraw/zinc/35/57/65/182355765.db2.gz MDFUPRAKDIDHQG-UHFFFAOYSA-N 0 0 232.218 2.260 50 0 BEAARN O=C(Nc1c(F)cccc1F)c1cnccn1 ZINC000044866581 182346801 /nfs/dbraw/zinc/34/68/01/182346801.db2.gz FQAJXAOZQPKXCO-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1cc(-c2ccccn2)no1)C1CCC1 ZINC000065152751 182347276 /nfs/dbraw/zinc/34/72/76/182347276.db2.gz AJJXEBKPRNPOQQ-UHFFFAOYSA-N 0 0 243.266 2.475 50 0 BEAARN O=C(Nc1ccc2n[nH]cc2c1)c1cccnc1 ZINC000013323595 182362137 /nfs/dbraw/zinc/36/21/37/182362137.db2.gz QNPBGCMLNTWVNJ-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ccc2c(c1)CCO2)c1ccco1 ZINC000027133777 182364397 /nfs/dbraw/zinc/36/43/97/182364397.db2.gz STHAZNMKCOCWKK-UHFFFAOYSA-N 0 0 229.235 2.467 50 0 BEAARN O=C(Nc1ccc2scnc2c1)[C@@H]1CCCO1 ZINC000179403720 182366350 /nfs/dbraw/zinc/36/63/50/182366350.db2.gz BOXXMHOBZUGGDG-JTQLQIEISA-N 0 0 248.307 2.414 50 0 BEAARN O=C(Nc1ccccc1)N1CCSC1 ZINC000028232189 182375362 /nfs/dbraw/zinc/37/53/62/182375362.db2.gz BWGDBVMMHWFVRB-UHFFFAOYSA-N 0 0 208.286 2.225 50 0 BEAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)C1CC1 ZINC000002747339 182371352 /nfs/dbraw/zinc/37/13/52/182371352.db2.gz QFSZWRVJBHWDCY-UHFFFAOYSA-N 0 0 244.294 2.384 50 0 BEAARN O=C(Nc1cccc(O)c1)c1cscn1 ZINC000041506911 182372052 /nfs/dbraw/zinc/37/20/52/182372052.db2.gz VOUHLUDJLPPSGM-UHFFFAOYSA-N 0 0 220.253 2.101 50 0 BEAARN O=C(Nc1ccon1)[C@H]1C[C@H]1c1ccccc1 ZINC000028226101 182389082 /nfs/dbraw/zinc/38/90/82/182389082.db2.gz OKPSZZHRDPVFOW-QWRGUYRKSA-N 0 0 228.251 2.417 50 0 BEAARN O=C(Nc1cn[nH]c1)c1ccccc1Cl ZINC000035237494 182392040 /nfs/dbraw/zinc/39/20/40/182392040.db2.gz MICGDPWNMHKECK-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1ccccn1)OCC(F)(F)F ZINC000032628821 182382177 /nfs/dbraw/zinc/38/21/77/182382177.db2.gz FCBOWXGAOKPCQY-UHFFFAOYSA-N 0 0 220.150 2.192 50 0 BEAARN O=C(Nc1cccnc1)N1CCCCC1 ZINC000000189569 182382976 /nfs/dbraw/zinc/38/29/76/182382976.db2.gz FBBUFCPHBWJFDL-UHFFFAOYSA-N 0 0 205.261 2.099 50 0 BEAARN O=C(Nc1ccccn1)c1cc(C2CC2)on1 ZINC000040047677 182383198 /nfs/dbraw/zinc/38/31/98/182383198.db2.gz OJWOERXUMSHFIE-UHFFFAOYSA-N 0 0 229.239 2.199 50 0 BEAARN O=C(Nc1ccccn1)c1ccc(F)cc1 ZINC000000203136 182383288 /nfs/dbraw/zinc/38/32/88/182383288.db2.gz BUCHZKMRZVFZSH-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1cn[nH]c1)c1ccc(F)cc1Cl ZINC000035237636 182392288 /nfs/dbraw/zinc/39/22/88/182392288.db2.gz HWKJTIFEBKZIRG-UHFFFAOYSA-N 0 0 239.637 2.455 50 0 BEAARN O=C(Nc1ccn2nccc2c1)C1CCCC1 ZINC000217952508 182385723 /nfs/dbraw/zinc/38/57/23/182385723.db2.gz TZIRGWYWDUVBNW-UHFFFAOYSA-N 0 0 229.283 2.463 50 0 BEAARN O=C(Nc1ccncc1F)C1CCCC1 ZINC000096485253 182388066 /nfs/dbraw/zinc/38/80/66/182388066.db2.gz JHJAOHXEDJIHFW-UHFFFAOYSA-N 0 0 208.236 2.349 50 0 BEAARN O=C(Nc1nccs1)N[C@H]1CC[C@@H](F)C1 ZINC000336359265 182401910 /nfs/dbraw/zinc/40/19/10/182401910.db2.gz NCAHWPDIXGFDMM-RQJHMYQMSA-N 0 0 229.280 2.155 50 0 BEAARN O=C(Nc1cnccn1)C1CCC(F)(F)CC1 ZINC000096503235 182393759 /nfs/dbraw/zinc/39/37/59/182393759.db2.gz WHIINZFIVHQTOJ-UHFFFAOYSA-N 0 0 241.241 2.241 50 0 BEAARN CCCC[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000002045790 168872409 /nfs/dbraw/zinc/87/24/09/168872409.db2.gz HHBSIIRCNFRFSW-LLVKDONJSA-N 0 0 207.273 2.202 50 0 BEAARN O=C([O-])C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000019787687 182467468 /nfs/dbraw/zinc/46/74/68/182467468.db2.gz NMMRCGLFNFEBJC-UHFFFAOYSA-N 0 0 234.082 2.168 50 0 BEAARN O=C([O-])[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000037183648 182502789 /nfs/dbraw/zinc/50/27/89/182502789.db2.gz YQWLYFPXDIHYLF-JTQLQIEISA-N 0 0 225.675 2.218 50 0 BEAARN O=C([O-])[C@@]1(CCCc2ccccc2)CCC[NH2+]1 ZINC000004241188 182523531 /nfs/dbraw/zinc/52/35/31/182523531.db2.gz ZHHDZLMQFQRYMD-CQSZACIVSA-N 0 0 233.311 2.216 50 0 BEAARN CCCCOC(=O)Nc1ccccc1C(N)=O ZINC000001770660 168885948 /nfs/dbraw/zinc/88/59/48/168885948.db2.gz BOFZBQLYLJWYAR-UHFFFAOYSA-N 0 0 236.271 2.134 50 0 BEAARN O=C([C@H]1CCOC1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114438362 182639235 /nfs/dbraw/zinc/63/92/35/182639235.db2.gz CPHKZMURMLEPPC-DZGCQCFKSA-N 0 0 249.354 2.372 50 0 BEAARN O=C(c1cc(F)cc(F)c1)N1CCCC1 ZINC000028210524 182649833 /nfs/dbraw/zinc/64/98/33/182649833.db2.gz WMJSYIVBSURIBO-UHFFFAOYSA-N 0 0 211.211 2.201 50 0 BEAARN O=C(c1ccccc1O)N1CCCCC1 ZINC000000487876 182680704 /nfs/dbraw/zinc/68/07/04/182680704.db2.gz PRRBIQSVUGRKOU-UHFFFAOYSA-N 0 0 205.257 2.018 50 0 BEAARN O=C(c1ccoc1)N(Cc1ccncc1)C1CC1 ZINC000006670634 182691459 /nfs/dbraw/zinc/69/14/59/182691459.db2.gz KGTFFULKPLORIE-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN CCOC(=O)[C@@H](Cc1ccccc1C)C(C)=O ZINC000034594980 170253027 /nfs/dbraw/zinc/25/30/27/170253027.db2.gz XBKZCOOJZSZDOB-ZDUSSCGKSA-N 0 0 234.295 2.306 50 0 BEAARN O=C1CC[C@@H](c2ccccc2Cl)CN1 ZINC000057496052 182750010 /nfs/dbraw/zinc/75/00/10/182750010.db2.gz JZHHTIOJCNRSRI-MRVPVSSYSA-N 0 0 209.676 2.334 50 0 BEAARN O=C(c1ccccc1Cl)N1CCC(=O)CC1 ZINC000019432462 182740561 /nfs/dbraw/zinc/74/05/61/182740561.db2.gz BSCVZXWTQZIDPE-UHFFFAOYSA-N 0 0 237.686 2.145 50 0 BEAARN O=C1N[C@@H](c2ccc(F)cc2)Nc2ncccc21 ZINC000058157427 182817845 /nfs/dbraw/zinc/81/78/45/182817845.db2.gz SLVRATHNMYUXME-NSHDSACASA-N 0 0 243.241 2.075 50 0 BEAARN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1 ZINC000004019023 182842632 /nfs/dbraw/zinc/84/26/32/182842632.db2.gz APOBYZSYMJNZIE-LFSVMHDDSA-N 0 0 241.290 2.222 50 0 BEAARN O=CNc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000393704 182853729 /nfs/dbraw/zinc/85/37/29/182853729.db2.gz VERIQMZSHJWSCP-UHFFFAOYSA-N 0 0 223.231 2.466 50 0 BEAARN O=C1Nc2cccnc2Nc2ccccc21 ZINC000000501571 182825781 /nfs/dbraw/zinc/82/57/81/182825781.db2.gz MIRBIZDDMSFTKY-UHFFFAOYSA-N 0 0 211.224 2.391 50 0 BEAARN O=C1O[C@@H]([C@@H]2CCCCC2=O)C(Cl)=C1Cl ZINC000001028786 182836021 /nfs/dbraw/zinc/83/60/21/182836021.db2.gz BVTPNHNQOIOZQK-ANLVUFKYSA-N 0 0 249.093 2.360 50 0 BEAARN O=CNn1c2ccccc2c2ccccc21 ZINC000002024437 182854868 /nfs/dbraw/zinc/85/48/68/182854868.db2.gz MKXHRLAOWLJZPH-UHFFFAOYSA-N 0 0 210.236 2.494 50 0 BEAARN CCOC(COc1ccccc1)OCC ZINC000000163028 170316486 /nfs/dbraw/zinc/31/64/86/170316486.db2.gz IISGAJPGMKEIAZ-UHFFFAOYSA-N 0 0 210.273 2.465 50 0 BEAARN O=Cc1ccc(F)c(Br)c1 ZINC000000157203 182867529 /nfs/dbraw/zinc/86/75/29/182867529.db2.gz FAHZIKXYYRGSHF-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN O=Cc1ccc(Oc2ncccn2)cc1 ZINC000000168151 182869743 /nfs/dbraw/zinc/86/97/43/182869743.db2.gz CGSRJSIAGKSMHU-UHFFFAOYSA-N 0 0 200.197 2.081 50 0 BEAARN O=Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000006677483 182871685 /nfs/dbraw/zinc/87/16/85/182871685.db2.gz RFEIFSQBYWKHQP-LBPRGKRZSA-N 0 0 206.241 2.057 50 0 BEAARN O=Cc1ccccc1OCc1ccncc1 ZINC000020283090 182872849 /nfs/dbraw/zinc/87/28/49/182872849.db2.gz WCJAFOKWZXCOOQ-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN O=Cc1cccn1Cc1ccc(F)cc1 ZINC000006674226 182873753 /nfs/dbraw/zinc/87/37/53/182873753.db2.gz NZOPVHUCSSOQEW-UHFFFAOYSA-N 0 0 203.216 2.488 50 0 BEAARN O=S(=O)(c1ccc(F)cc1)N1CCCCC1 ZINC000000209890 182904448 /nfs/dbraw/zinc/90/44/48/182904448.db2.gz DZARDDKGQWNMKA-UHFFFAOYSA-N 0 0 243.303 2.000 50 0 BEAARN O=S1(=O)C=C[C@@H](Nc2cccc(Cl)c2)C1 ZINC000002876047 182905816 /nfs/dbraw/zinc/90/58/16/182905816.db2.gz UGUVUDMRBPYWNO-SNVBAGLBSA-N 0 0 243.715 2.063 50 0 BEAARN CCCCOc1ccccc1N1C(=O)C=CC1=O ZINC000005016493 168920815 /nfs/dbraw/zinc/92/08/15/168920815.db2.gz WRHWBVZGXFQVGW-UHFFFAOYSA-N 0 0 245.278 2.295 50 0 BEAARN O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12 ZINC000018039854 182987523 /nfs/dbraw/zinc/98/75/23/182987523.db2.gz DHORJGJIZSYQQV-UHFFFAOYSA-N 0 0 238.246 2.091 50 0 BEAARN O=c1ccc2ccc(Oc3ncccn3)cc2o1 ZINC000003340323 183000697 /nfs/dbraw/zinc/00/06/97/183000697.db2.gz ICVPSXXSIFGKLI-UHFFFAOYSA-N 0 0 240.218 2.375 50 0 BEAARN O=c1ccnc(-c2ccc(Cl)cc2)[nH]1 ZINC000032217908 183005874 /nfs/dbraw/zinc/00/58/74/183005874.db2.gz VQRSIMLDRAXXQX-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN O=c1oc(-c2ccco2)nn1[C@H]1C=CCCC1 ZINC000076610145 183012056 /nfs/dbraw/zinc/01/20/56/183012056.db2.gz PGCZEDDCPSCVMB-VIFPVBQESA-N 0 0 232.239 2.378 50 0 BEAARN OC1(c2ccncc2Br)CCC1 ZINC000098180524 183023233 /nfs/dbraw/zinc/02/32/33/183023233.db2.gz LPEXMEMRRQVXBQ-UHFFFAOYSA-N 0 0 228.089 2.216 50 0 BEAARN OCCCCCc1nc2ccccc2[nH]1 ZINC000016903157 183048775 /nfs/dbraw/zinc/04/87/75/183048775.db2.gz ULKVSOFQHHEPOA-UHFFFAOYSA-N 0 0 204.273 2.268 50 0 BEAARN OCC1(Nc2ncnc3cccc(F)c32)CCC1 ZINC000089800210 183039172 /nfs/dbraw/zinc/03/91/72/183039172.db2.gz CEOWPFPKIFVNDN-UHFFFAOYSA-N 0 0 247.273 2.096 50 0 BEAARN OCCCc1cc(-c2ccccc2)no1 ZINC000039189114 183064438 /nfs/dbraw/zinc/06/44/38/183064438.db2.gz RDRLTPZGMAFZNS-UHFFFAOYSA-N 0 0 203.241 2.267 50 0 BEAARN OCCCc1cc(Br)cs1 ZINC000044396173 183064982 /nfs/dbraw/zinc/06/49/82/183064982.db2.gz MAVFGAAOZDCELC-UHFFFAOYSA-N 0 0 221.119 2.436 50 0 BEAARN OCCc1cccc(OC(F)(F)F)c1 ZINC000002541353 183100096 /nfs/dbraw/zinc/10/00/96/183100096.db2.gz YPZUGJLCXIAZNI-UHFFFAOYSA-N 0 0 206.163 2.120 50 0 BEAARN OCCc1cc(F)cc(Br)c1 ZINC000086695605 183100120 /nfs/dbraw/zinc/10/01/20/183100120.db2.gz LBOZZPCFACVGEJ-UHFFFAOYSA-N 0 0 219.053 2.123 50 0 BEAARN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC000097757285 169010747 /nfs/dbraw/zinc/01/07/47/169010747.db2.gz ROZBCRMGQFLYFJ-VIFPVBQESA-N 0 0 245.319 2.243 50 0 BEAARN OCCn1cc(-c2ccc(Cl)c(F)c2)cn1 ZINC000067909829 183103390 /nfs/dbraw/zinc/10/33/90/183103390.db2.gz PYHYQEDJSYPCGX-UHFFFAOYSA-N 0 0 240.665 2.335 50 0 BEAARN CCCCc1ccc(NS(C)(=O)=O)cc1 ZINC000002181341 169021558 /nfs/dbraw/zinc/02/15/58/169021558.db2.gz SVJZRKCJFGDRRG-UHFFFAOYSA-N 0 0 227.329 2.401 50 0 BEAARN OC[C@@H]1CCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000095977452 183122236 /nfs/dbraw/zinc/12/22/36/183122236.db2.gz WNWDHPOQAAXGTN-VHSXEESVSA-N 0 0 231.299 2.136 50 0 BEAARN OC[C@H]1CCCCN1Cc1cc(F)ccc1F ZINC000000213056 183149303 /nfs/dbraw/zinc/14/93/03/183149303.db2.gz JQFYVDJAYLMYLN-GFCCVEGCSA-N 0 0 241.281 2.312 50 0 BEAARN OC[C@H]1CCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000095977451 183151900 /nfs/dbraw/zinc/15/19/00/183151900.db2.gz WNWDHPOQAAXGTN-ZJUUUORDSA-N 0 0 231.299 2.136 50 0 BEAARN CCCCn1nnnc1NCc1ccsc1 ZINC000007262221 169041226 /nfs/dbraw/zinc/04/12/26/169041226.db2.gz RDEMQSSGJHQWDH-UHFFFAOYSA-N 0 0 237.332 2.147 50 0 BEAARN OCc1cc(Cl)nc(-c2ccccc2)n1 ZINC000063110926 183161848 /nfs/dbraw/zinc/16/18/48/183161848.db2.gz AYYPUBBUSUVHIV-UHFFFAOYSA-N 0 0 220.659 2.289 50 0 BEAARN OCc1cc(F)cc(Br)c1F ZINC000095930420 183162096 /nfs/dbraw/zinc/16/20/96/183162096.db2.gz MHTYZAZJJICWHX-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN OCc1ccc(Br)c(F)c1F ZINC000098210635 183162844 /nfs/dbraw/zinc/16/28/44/183162844.db2.gz QUNPEOZOKHEQDK-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN OCc1ccc(C(F)(F)F)c(F)c1F ZINC000002560156 183162893 /nfs/dbraw/zinc/16/28/93/183162893.db2.gz YDHLVDCBIBCSPA-UHFFFAOYSA-N 0 0 212.117 2.476 50 0 BEAARN OCc1ccccc1Oc1ccccc1CO ZINC000002556907 183168667 /nfs/dbraw/zinc/16/86/67/183168667.db2.gz VRVKKKKXKVCPEW-UHFFFAOYSA-N 0 0 230.263 2.464 50 0 BEAARN OCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000078210644 183170529 /nfs/dbraw/zinc/17/05/29/183170529.db2.gz ACWKKCNXWQTLFP-UHFFFAOYSA-N 0 0 217.146 2.339 50 0 BEAARN OCc1nccn1Cc1ccc(Cl)cc1 ZINC000000161405 183171957 /nfs/dbraw/zinc/17/19/57/183171957.db2.gz WBQUIVPYPWINGE-UHFFFAOYSA-N 0 0 222.675 2.077 50 0 BEAARN O[C@@H]1CCCc2[nH]nc(-c3ccccc3)c21 ZINC000066055382 183197888 /nfs/dbraw/zinc/19/78/88/183197888.db2.gz RMWMVRMNFLAFKH-LLVKDONJSA-N 0 0 214.268 2.446 50 0 BEAARN O[C@@H]1CCC[C@H]1Nc1ccncc1Cl ZINC000097104654 183197921 /nfs/dbraw/zinc/19/79/21/183197921.db2.gz QIQBHGUBPIHVQU-NXEZZACHSA-N 0 0 212.680 2.060 50 0 BEAARN O[C@@H]1CCOc2ccc(Br)cc21 ZINC000033495008 183202427 /nfs/dbraw/zinc/20/24/27/183202427.db2.gz AUBCSGZQJXSWGV-MRVPVSSYSA-N 0 0 229.073 2.265 50 0 BEAARN O[C@@H](c1cccnc1)c1ccccc1F ZINC000041211488 183186374 /nfs/dbraw/zinc/18/63/74/183186374.db2.gz NEXWRNHLCALCJW-LBPRGKRZSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2 ZINC000012408348 183186863 /nfs/dbraw/zinc/18/68/63/183186863.db2.gz UKKVANDFEBKGCK-XXYUJHKVSA-N 0 0 233.286 2.253 50 0 BEAARN CCCN(C)C(=O)c1cc2ccccc2oc1=O ZINC000006700845 169061662 /nfs/dbraw/zinc/06/16/62/169061662.db2.gz RJHBZNPVGXOHHF-UHFFFAOYSA-N 0 0 245.278 2.275 50 0 BEAARN O[C@H](CCNc1ccccc1)C(F)(F)F ZINC000004052792 183219575 /nfs/dbraw/zinc/21/95/75/183219575.db2.gz SXMZZDXUOSEQNI-SECBINFHSA-N 0 0 219.206 2.412 50 0 BEAARN O[C@H](Cc1cccnc1)C(Cl)(Cl)Cl ZINC000000494685 183227816 /nfs/dbraw/zinc/22/78/16/183227816.db2.gz FPQQQXMBADMPTF-SSDOTTSWSA-N 0 0 240.517 2.355 50 0 BEAARN O[C@@]1(C(F)F)CC(/C=C\c2cccs2)=NO1 ZINC000097426975 183215806 /nfs/dbraw/zinc/21/58/06/183215806.db2.gz RFYVQJGHGHWEEJ-XOULXFPDSA-N 0 0 245.250 2.491 50 0 BEAARN CCCN(CC)C(=O)Cc1cccc(N)c1 ZINC000052922380 169111329 /nfs/dbraw/zinc/11/13/29/169111329.db2.gz FUPZUIRTTDEARJ-UHFFFAOYSA-N 0 0 220.316 2.070 50 0 BEAARN O[C@H]1CCc2c1cccc2Br ZINC000039603416 183242257 /nfs/dbraw/zinc/24/22/57/183242257.db2.gz RNXQQZNOSYBFTN-VIFPVBQESA-N 0 0 213.074 2.429 50 0 BEAARN O[C@]1(c2ccccc2)CSC2=NCCCCN21 ZINC000003199970 183252751 /nfs/dbraw/zinc/25/27/51/183252751.db2.gz JPNYNSWQHIRATR-ZDUSSCGKSA-N 0 0 248.351 2.030 50 0 BEAARN O[C@H]1CCC[C@H]1Nc1cccc(C(F)(F)F)n1 ZINC000097104628 183237587 /nfs/dbraw/zinc/23/75/87/183237587.db2.gz FTIWTPOIIIKYGM-SFYZADRCSA-N 0 0 246.232 2.426 50 0 BEAARN O[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000195575443 183237794 /nfs/dbraw/zinc/23/77/94/183237794.db2.gz MSPGIRCKQCTJCV-BDAKNGLRSA-N 0 0 246.232 2.426 50 0 BEAARN Oc1ccc(-c2cn3c(n2)CCC3)cc1 ZINC000001811882 183264762 /nfs/dbraw/zinc/26/47/62/183264762.db2.gz VNYSBZIURZALDO-UHFFFAOYSA-N 0 0 200.241 2.202 50 0 BEAARN Oc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009428954 183265658 /nfs/dbraw/zinc/26/56/58/183265658.db2.gz KUDKLPOAPCJLAA-UHFFFAOYSA-N 0 0 229.283 2.377 50 0 BEAARN Oc1ccc(F)cc1I ZINC000034371295 183274852 /nfs/dbraw/zinc/27/48/52/183274852.db2.gz FTTVHYAABUMDNX-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN O=c1[nH]c(-c2ccccn2)nc2ccccc21 ZINC000008579987 183307286 /nfs/dbraw/zinc/30/72/86/183307286.db2.gz QLWDRAMFFJADEJ-UHFFFAOYSA-N 0 0 223.235 2.397 50 0 BEAARN O=c1[nH][nH]c2cc(Br)cc(F)c12 ZINC000014984012 183306578 /nfs/dbraw/zinc/30/65/78/183306578.db2.gz YFEQEVZZMXXXTC-UHFFFAOYSA-N 0 0 231.024 2.170 50 0 BEAARN Oc1ccccc1-c1nnc2n1CCCCC2 ZINC000017835755 183300226 /nfs/dbraw/zinc/30/02/26/183300226.db2.gz XOMBXKRLKULZBZ-UHFFFAOYSA-N 0 0 229.283 2.377 50 0 BEAARN Oc1ccccc1-c1nc(-c2ccccn2)n[nH]1 ZINC000000505342 183300302 /nfs/dbraw/zinc/30/03/02/183300302.db2.gz XIHFGQFLZWWLPW-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN CCCN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000008316084 169184344 /nfs/dbraw/zinc/18/43/44/169184344.db2.gz FRWXWUYPHVCLLQ-AWEZNQCLSA-N 0 0 246.310 2.172 50 0 BEAARN c1c2nc(C3CC3)[nH]c2cc2c1OCCO2 ZINC000031943902 183321698 /nfs/dbraw/zinc/32/16/98/183321698.db2.gz CZSGISLVEVTYHM-UHFFFAOYSA-N 0 0 216.240 2.212 50 0 BEAARN c1c[nH]c(SCCCSc2ncc[nH]2)n1 ZINC000078989004 183328090 /nfs/dbraw/zinc/32/80/90/183328090.db2.gz UBOPPFCINCMIDP-UHFFFAOYSA-N 0 0 240.357 2.407 50 0 BEAARN c1cc2nccc(-c3ccc4c(c3)OCO4)n2n1 ZINC000072451560 183329541 /nfs/dbraw/zinc/32/95/41/183329541.db2.gz LDKFFMGRRQARBD-UHFFFAOYSA-N 0 0 239.234 2.125 50 0 BEAARN c1cc(-c2nnc(-c3ccncc3)o2)co1 ZINC000075149059 183332333 /nfs/dbraw/zinc/33/23/33/183332333.db2.gz ZAGSCSAIYZWBKL-UHFFFAOYSA-N 0 0 213.196 2.392 50 0 BEAARN O=c1[nH][nH]c2c1C[C@H](c1ccccc1)CC2 ZINC000068575899 183307429 /nfs/dbraw/zinc/30/74/29/183307429.db2.gz YICCKRIEQALKQJ-SNVBAGLBSA-N 0 0 214.268 2.388 50 0 BEAARN O=c1[n-]n2ccc[nH+]c2c1-c1ccccc1 ZINC000005647840 183309536 /nfs/dbraw/zinc/30/95/36/183309536.db2.gz JRYJZMWWIHEBPX-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN CCCN1CC[N@H+](Cc2ccccc2)CCC1=O ZINC000014994297 169203276 /nfs/dbraw/zinc/20/32/76/169203276.db2.gz RODWBVPJXVOCSU-UHFFFAOYSA-N 0 0 246.354 2.131 50 0 BEAARN O=c1[nH]oc2ccc(Br)cc12 ZINC000014980227 183310425 /nfs/dbraw/zinc/31/04/25/183310425.db2.gz XLPXBJYNYXPQAO-UHFFFAOYSA-N 0 0 214.018 2.296 50 0 BEAARN S=C(NC1CC1)N1CCc2ccccc2C1 ZINC000000613059 183310912 /nfs/dbraw/zinc/31/09/12/183310912.db2.gz WBGVEDAQPPEZTG-UHFFFAOYSA-N 0 0 232.352 2.082 50 0 BEAARN S=C(Nc1cccnc1)NC1CCCC1 ZINC000000611411 183312170 /nfs/dbraw/zinc/31/21/70/183312170.db2.gz KONXCLAQRPSPEM-UHFFFAOYSA-N 0 0 221.329 2.311 50 0 BEAARN S=C1N=NC(c2ccccc2)CS1 ZINC000005602697 183312729 /nfs/dbraw/zinc/31/27/29/183312729.db2.gz ORJDJOIFXXPACS-UHFFFAOYSA-N 0 0 208.311 2.012 50 0 BEAARN c1cc(CN2CCO[C@@H]3CCCC[C@H]32)ccn1 ZINC000246213742 183344848 /nfs/dbraw/zinc/34/48/48/183344848.db2.gz YCSMPAGHWBMOIM-ZIAGYGMSSA-N 0 0 232.327 2.225 50 0 BEAARN c1cc(CN2CCO[C@H]3CCCC[C@@H]32)ccn1 ZINC000089884956 183346683 /nfs/dbraw/zinc/34/66/83/183346683.db2.gz YCSMPAGHWBMOIM-KBPBESRZSA-N 0 0 232.327 2.225 50 0 BEAARN CCCNC(=O)CCNc1ccccc1 ZINC000069382782 169218297 /nfs/dbraw/zinc/21/82/97/169218297.db2.gz NOZSHBCMGVZEOV-UHFFFAOYSA-N 0 0 206.289 2.015 50 0 BEAARN CCCNC(=S)Nc1ccc(OC)cc1 ZINC000002817900 169255079 /nfs/dbraw/zinc/25/50/79/169255079.db2.gz NDRJNSBEJDIALB-UHFFFAOYSA-N 0 0 224.329 2.392 50 0 BEAARN CCCNC(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000043023805 169234771 /nfs/dbraw/zinc/23/47/71/169234771.db2.gz ZUMYSEJOHASQTN-SNVBAGLBSA-N 0 0 237.303 2.240 50 0 BEAARN CCCNC(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000043025489 169235436 /nfs/dbraw/zinc/23/54/36/169235436.db2.gz SHMOQEKGBASNOJ-NSHDSACASA-N 0 0 237.303 2.240 50 0 BEAARN CCCNC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000065529155 169235672 /nfs/dbraw/zinc/23/56/72/169235672.db2.gz XKNZWVPDSSQZHN-ZDUSSCGKSA-N 0 0 247.342 2.292 50 0 BEAARN CCCNC(=O)NCCN(CC)c1ccccc1 ZINC000001738051 169236410 /nfs/dbraw/zinc/23/64/10/169236410.db2.gz HCNWVXLDCJNNJM-UHFFFAOYSA-N 0 0 249.358 2.222 50 0 BEAARN CCCNC(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000002065552 169240047 /nfs/dbraw/zinc/24/00/47/169240047.db2.gz GGXNPLFCQIVQJY-UHFFFAOYSA-N 0 0 246.314 2.413 50 0 BEAARN CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000065576435 169240263 /nfs/dbraw/zinc/24/02/63/169240263.db2.gz KTRZLEMHGMXRAO-UHFFFAOYSA-N 0 0 247.298 2.103 50 0 BEAARN c1cc2nc3c(nc2c2nonc12)CCCC3 ZINC000000153843 183377266 /nfs/dbraw/zinc/37/72/66/183377266.db2.gz QIYAZKLESAWQTF-UHFFFAOYSA-N 0 0 226.239 2.045 50 0 BEAARN c1cc2c(ccnc2NC[C@H]2CCCO2)o1 ZINC000089884772 183378807 /nfs/dbraw/zinc/37/88/07/183378807.db2.gz LLKHHOJUTPJQFH-SECBINFHSA-N 0 0 218.256 2.419 50 0 BEAARN CCCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000025425826 169244348 /nfs/dbraw/zinc/24/43/48/169244348.db2.gz XUJFXBUAGQUXFS-NSHDSACASA-N 0 0 239.702 2.170 50 0 BEAARN CCCNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000014397884 169247252 /nfs/dbraw/zinc/24/72/52/169247252.db2.gz SQKISZUKRJFFTG-VIFPVBQESA-N 0 0 225.263 2.119 50 0 BEAARN c1coc(CNc2nncn2-c2ccccc2)c1 ZINC000191584359 183386126 /nfs/dbraw/zinc/38/61/26/183386126.db2.gz YUNGLLOOOSIKNR-UHFFFAOYSA-N 0 0 240.266 2.472 50 0 BEAARN CCCNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000070193542 169249670 /nfs/dbraw/zinc/24/96/70/169249670.db2.gz MAWNIOGMPSDPQS-UHFFFAOYSA-N 0 0 229.283 2.217 50 0 BEAARN CCCNC(=O)c1cc(Cl)ccc1O ZINC000001689015 169250876 /nfs/dbraw/zinc/25/08/76/169250876.db2.gz YHNCXEIAPYBIBR-UHFFFAOYSA-N 0 0 213.664 2.185 50 0 BEAARN CCCNC(=O)c1ccc(Cl)cc1N ZINC000020156111 169251424 /nfs/dbraw/zinc/25/14/24/169251424.db2.gz ANGDOQGIJBNKFH-UHFFFAOYSA-N 0 0 212.680 2.062 50 0 BEAARN CCCNC(=O)c1ccc(F)c(F)c1F ZINC000016651324 169251848 /nfs/dbraw/zinc/25/18/48/169251848.db2.gz LWDNRGYDAIXNPR-UHFFFAOYSA-N 0 0 217.190 2.244 50 0 BEAARN CCCNC(=O)c1ccc2ncsc2c1 ZINC000003344712 169252302 /nfs/dbraw/zinc/25/23/02/169252302.db2.gz JFWSECLPGJUKKS-UHFFFAOYSA-N 0 0 220.297 2.436 50 0 BEAARN CCCNC(=O)c1cccnc1SCC ZINC000072332511 169252424 /nfs/dbraw/zinc/25/24/24/169252424.db2.gz NMBZNYHHYNSQML-UHFFFAOYSA-N 0 0 224.329 2.333 50 0 BEAARN CCCNC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000012404228 169252654 /nfs/dbraw/zinc/25/26/54/169252654.db2.gz YULLXJJTMKULKG-UHFFFAOYSA-N 0 0 246.310 2.175 50 0 BEAARN CCCNC(=O)c1cn(C)c2ccccc12 ZINC000012538181 169253195 /nfs/dbraw/zinc/25/31/95/169253195.db2.gz MIUCRCUULCQDEK-UHFFFAOYSA-N 0 0 216.284 2.318 50 0 BEAARN c1ccc(Cc2n[nH]c(-c3ccccn3)n2)cc1 ZINC000008048405 183410854 /nfs/dbraw/zinc/41/08/54/183410854.db2.gz HEXVPTROHWUBQG-UHFFFAOYSA-N 0 0 236.278 2.458 50 0 BEAARN c1coc(-c2nnnn2CCc2ccccc2)c1 ZINC000001481371 183396181 /nfs/dbraw/zinc/39/61/81/183396181.db2.gz VLFVFXOMMVYGEH-UHFFFAOYSA-N 0 0 240.266 2.176 50 0 BEAARN c1ccc(Cc2nnn(-c3ccccc3)n2)cc1 ZINC000022130510 183412438 /nfs/dbraw/zinc/41/24/38/183412438.db2.gz REVOLZKVRFTWJB-UHFFFAOYSA-N 0 0 236.278 2.253 50 0 BEAARN CCCOC(=O)c1ccc(C2OCCO2)s1 ZINC000043210339 169300445 /nfs/dbraw/zinc/30/04/45/169300445.db2.gz OLWARJZHYNFAIB-UHFFFAOYSA-N 0 0 242.296 2.360 50 0 BEAARN CCCOCCOc1ccc(N)cc1C ZINC000014630491 169309960 /nfs/dbraw/zinc/30/99/60/169309960.db2.gz RSQWZRUFURBFKC-UHFFFAOYSA-N 0 0 209.289 2.383 50 0 BEAARN CCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000012359884 169311581 /nfs/dbraw/zinc/31/15/81/169311581.db2.gz ANTQYKULVIZWAS-SNVBAGLBSA-N 0 0 229.320 2.422 50 0 BEAARN CCCNc1cc(C)oc(=O)c1C(=O)CC ZINC000100182640 169293536 /nfs/dbraw/zinc/29/35/36/169293536.db2.gz QQUQLLZQDUVMLE-UHFFFAOYSA-N 0 0 223.272 2.363 50 0 BEAARN CCCNc1nc(Cl)nc(Cl)n1 ZINC000002013550 169295824 /nfs/dbraw/zinc/29/58/24/169295824.db2.gz JXMNIFBDZUCJHU-UHFFFAOYSA-N 0 0 207.064 2.000 50 0 BEAARN CCCNc1nnc(-c2ccncc2)s1 ZINC000004992737 169296490 /nfs/dbraw/zinc/29/64/90/169296490.db2.gz DRQIHGAVVDJUGX-UHFFFAOYSA-N 0 0 220.301 2.422 50 0 BEAARN CCCSc1nnnn1Cc1cccs1 ZINC000058358356 169341912 /nfs/dbraw/zinc/34/19/12/169341912.db2.gz JFDYXNSICIUVBG-UHFFFAOYSA-N 0 0 240.357 2.285 50 0 BEAARN CCC[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000046869898 169343915 /nfs/dbraw/zinc/34/39/15/169343915.db2.gz RPCVPNFFJLOSMC-CQSZACIVSA-N 0 0 247.338 2.429 50 0 BEAARN CCCOc1ccc(C=O)cc1COC ZINC000040350478 169317933 /nfs/dbraw/zinc/31/79/33/169317933.db2.gz VGGNREQXYIPPLW-UHFFFAOYSA-N 0 0 208.257 2.434 50 0 BEAARN CCCOc1ccc(C2=NNC(=O)CC2)cc1 ZINC000004729326 169317934 /nfs/dbraw/zinc/31/79/34/169317934.db2.gz JECPTYOLILQNAT-UHFFFAOYSA-N 0 0 232.283 2.090 50 0 BEAARN CCCOc1ccc(CO)cc1OCC ZINC000012911880 169319146 /nfs/dbraw/zinc/31/91/46/169319146.db2.gz IRMDUNVMRDDBJK-UHFFFAOYSA-N 0 0 210.273 2.366 50 0 BEAARN c1ccc2nc(NC[C@@H]3CCCO3)cnc2c1 ZINC000026134678 183458854 /nfs/dbraw/zinc/45/88/54/183458854.db2.gz DOJZWRZMQRRICS-JTQLQIEISA-N 0 0 229.283 2.221 50 0 BEAARN c1cnn(CCNc2nc3ccccc3o2)c1 ZINC000042351553 183461707 /nfs/dbraw/zinc/46/17/07/183461707.db2.gz UGJCKQFSAIXTKX-UHFFFAOYSA-N 0 0 228.255 2.136 50 0 BEAARN CCCOc1ccc([C@H](N)C(=O)OCC)cc1 ZINC000022204399 169322261 /nfs/dbraw/zinc/32/22/61/169322261.db2.gz COUCRUSVTJUKCQ-LBPRGKRZSA-N 0 0 237.299 2.038 50 0 BEAARN c1c(Cc2nc(C3CC3)no2)nc2ccccn12 ZINC000098009565 183464049 /nfs/dbraw/zinc/46/40/49/183464049.db2.gz WWKQAERAKPGVSX-UHFFFAOYSA-N 0 0 240.266 2.186 50 0 BEAARN c1ccc2c(c1)CCN=C2[C@H]1CCCO1 ZINC000000499265 183443427 /nfs/dbraw/zinc/44/34/27/183443427.db2.gz LSHRXRTVJOAZIR-GFCCVEGCSA-N 0 0 201.269 2.211 50 0 BEAARN CCCS(=O)(=O)Nc1ccc(CC)cc1 ZINC000003357956 169334082 /nfs/dbraw/zinc/33/40/82/169334082.db2.gz AWIVTLXRSBTABY-UHFFFAOYSA-N 0 0 227.329 2.401 50 0 BEAARN CCC[C@@H](C)NC(=O)NCc1cc(CC)no1 ZINC000096421392 169368535 /nfs/dbraw/zinc/36/85/35/169368535.db2.gz BTGCSTUBMVGJRR-SECBINFHSA-N 0 0 239.319 2.225 50 0 BEAARN CCC[C@@H](C)NC(=O)Cn1cnc2ccccc21 ZINC000007779916 169368590 /nfs/dbraw/zinc/36/85/90/169368590.db2.gz SZWORUGEHYIJSF-LLVKDONJSA-N 0 0 245.326 2.341 50 0 BEAARN c1cnc(N2C[C@H]3CCCC[C@@H]3C2)cn1 ZINC000096455871 183480156 /nfs/dbraw/zinc/48/01/56/183480156.db2.gz POMAOTUOQLFIFH-GHMZBOCLSA-N 0 0 203.289 2.103 50 0 BEAARN CC(C)(C)OC(=O)Cc1ccc(O)cc1 ZINC000034770479 166641640 /nfs/dbraw/zinc/64/16/40/166641640.db2.gz NNGDLOYUAYPSNM-UHFFFAOYSA-N 0 0 208.257 2.276 50 0 BEAARN CCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000096032138 169421645 /nfs/dbraw/zinc/42/16/45/169421645.db2.gz VXVNESJOGPNEMU-MNOVXSKESA-N 0 0 243.347 2.262 50 0 BEAARN CCCc1nc2c(C)nn(CC)c2c(NC)n1 ZINC000072237846 169592393 /nfs/dbraw/zinc/59/23/93/169592393.db2.gz AVXDREOMVPOHJK-UHFFFAOYSA-N 0 0 233.319 2.149 50 0 BEAARN CCCc1nc(N)nc2c1C(=O)CC(C)(C)C2 ZINC000004006419 169592438 /nfs/dbraw/zinc/59/24/38/169592438.db2.gz MNXZQFMWFYKCDE-UHFFFAOYSA-N 0 0 233.315 2.166 50 0 in-vitro BEAARN CCCn1cc(NCc2ccncc2)cn1 ZINC000090191004 169620891 /nfs/dbraw/zinc/62/08/91/169620891.db2.gz DYIANPAIRXMEDL-UHFFFAOYSA-N 0 0 216.288 2.300 50 0 BEAARN CCCn1nc(C)c2c1nc(C)cc2C(=O)OC ZINC000020614612 169624240 /nfs/dbraw/zinc/62/42/40/169624240.db2.gz PTHNBHDYVPIZDC-UHFFFAOYSA-N 0 0 247.298 2.245 50 0 BEAARN C=CC(=O)NCc1ccc(-c2csnn2)cc1 ZINC000000106572 383827121 /nfs/dbraw/zinc/82/71/21/383827121.db2.gz BAUVDQRPCWSSGF-UHFFFAOYSA-N 0 0 245.307 2.007 50 0 BEAARN CC(=O)c1c(C)nn2c3ccccc3n(C)c12 ZINC000000066455 383822137 /nfs/dbraw/zinc/82/21/37/383822137.db2.gz HXUOBVIVDMTQLB-UHFFFAOYSA-N 0 0 227.267 2.337 50 0 BEAARN COC(=O)c1ccc(OC)c(Br)c1 ZINC000000088362 383823568 /nfs/dbraw/zinc/82/35/68/383823568.db2.gz ZREVPFANJBZHEU-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN Cc1cc(C)c(N2C(=O)C=CC2=O)c(C)c1 ZINC000000097239 383826515 /nfs/dbraw/zinc/82/65/15/383826515.db2.gz OXXJEEWPKQNYJK-UHFFFAOYSA-N 0 0 215.252 2.041 50 0 BEAARN FC(F)(F)c1cc(-c2ccccn2)n[nH]1 ZINC000000171023 383839157 /nfs/dbraw/zinc/83/91/57/383839157.db2.gz DUXRDJNQKDYVNE-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN COc1ncc(Cl)cc1C(OC)OC ZINC000066054327 383844836 /nfs/dbraw/zinc/84/48/36/383844836.db2.gz JGQLXELFERSKEH-UHFFFAOYSA-N 0 0 217.652 2.035 50 0 BEAARN COC(=O)c1cccc2cc(O)ccc21 ZINC000035287387 383848668 /nfs/dbraw/zinc/84/86/68/383848668.db2.gz QBWXQZHHVDIJSF-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN CC(=O)OCc1cc(C)cc(C=O)c1C ZINC000000272960 383850266 /nfs/dbraw/zinc/85/02/66/383850266.db2.gz LCCIIMBWGVNVGG-UHFFFAOYSA-N 0 0 206.241 2.179 50 0 BEAARN C[C@@H](NC(=O)c1cccc(F)c1)C1CC1 ZINC000000283605 383850890 /nfs/dbraw/zinc/85/08/90/383850890.db2.gz AWLFANMRRMDUPX-MRVPVSSYSA-N 0 0 207.248 2.354 50 0 BEAARN CS/C=C\C(=O)OCc1ccccn1 ZINC000098059381 383851869 /nfs/dbraw/zinc/85/18/69/383851869.db2.gz VNZXONBEVLDJAY-ALCCZGGFSA-N 0 0 209.270 2.002 50 0 BEAARN O=CNc1ccccc1Br ZINC000000332252 383853624 /nfs/dbraw/zinc/85/36/24/383853624.db2.gz OHWIHFWQMRBQMV-UHFFFAOYSA-N 0 0 200.035 2.017 50 0 BEAARN CCOC(=O)[C@H]1C[C@H]1c1ccc(OC)cc1 ZINC000000332666 383854057 /nfs/dbraw/zinc/85/40/57/383854057.db2.gz LNIFCHLLDTWCIH-RYUDHWBXSA-N 0 0 220.268 2.362 50 0 BEAARN CC(C)[C@@H]([NH2+]C/C=C/c1ccccc1)C(=O)[O-] ZINC000035406889 383856339 /nfs/dbraw/zinc/85/63/39/383856339.db2.gz PCVKXHHHEIEDHS-YSKGHYERSA-N 0 0 233.311 2.399 50 0 biogenic BEAARN O=C1OCc2cc(Br)ccc21 ZINC000000347461 383856290 /nfs/dbraw/zinc/85/62/90/383856290.db2.gz IUSPXLCLQIZFHL-UHFFFAOYSA-N 0 0 213.030 2.120 50 0 in-vitro BEAARN COC(=O)c1c(C)n(C)nc1-c1ccccc1 ZINC000000347302 383856951 /nfs/dbraw/zinc/85/69/51/383856951.db2.gz VYNXNCAMDHTBBF-UHFFFAOYSA-N 0 0 230.267 2.182 50 0 BEAARN O=Cc1cc(I)cs1 ZINC000066338743 383858288 /nfs/dbraw/zinc/85/82/88/383858288.db2.gz JZOKISLKNLACDI-UHFFFAOYSA-N 0 0 238.049 2.165 50 0 BEAARN CC(=O)N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000000378007 383858923 /nfs/dbraw/zinc/85/89/23/383858923.db2.gz HBKGGRWYRVVBDZ-CQSZACIVSA-N 0 0 244.269 2.446 50 0 BEAARN Cc1noc(-c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000035476566 383859243 /nfs/dbraw/zinc/85/92/43/383859243.db2.gz DPYMNIMJUYMHEC-UHFFFAOYSA-N 0 0 243.266 2.394 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)NC2CC2)o1 ZINC000048844579 383861767 /nfs/dbraw/zinc/86/17/67/383861767.db2.gz OUBNSLGWOHBRJA-MRVPVSSYSA-N 0 0 208.261 2.111 50 0 BEAARN CC1(C)OC[C@H](COCc2ccccc2)O1 ZINC000000391138 383861706 /nfs/dbraw/zinc/86/17/06/383861706.db2.gz DBFDSKSLTCMIPB-LBPRGKRZSA-N 0 0 222.284 2.355 50 0 in-vitro BEAARN Cc1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000000409048 383865738 /nfs/dbraw/zinc/86/57/38/383865738.db2.gz XAICNOASCGJHSS-UHFFFAOYSA-N 0 0 248.307 2.191 50 0 BEAARN CC[C@H](CO)NC(=O)Nc1ccc(Cl)cc1 ZINC000000406752 383866671 /nfs/dbraw/zinc/86/66/71/383866671.db2.gz WLAQZHZJODLWGO-SECBINFHSA-N 0 0 242.706 2.232 50 0 BEAARN Nc1ccc2c(c1)ncnc2N1CCCCC1 ZINC000087819594 383866684 /nfs/dbraw/zinc/86/66/84/383866684.db2.gz BXNJESQABWUILY-UHFFFAOYSA-N 0 0 228.299 2.202 50 0 BEAARN CCOc1ccccc1NC(=O)CC(C)=O ZINC000000449417 383868539 /nfs/dbraw/zinc/86/85/39/383868539.db2.gz RZNSERNEEXUOEN-UHFFFAOYSA-N 0 0 221.256 2.003 50 0 BEAARN FC(F)(F)c1ccc(-n2cccn2)nc1 ZINC000035728274 383869992 /nfs/dbraw/zinc/86/99/92/383869992.db2.gz CSMJMKMKDZKFQA-UHFFFAOYSA-N 0 0 213.162 2.286 50 0 BEAARN Cc1ccc(NC(=S)NC(=O)C(C)C)cc1 ZINC000000440067 383870145 /nfs/dbraw/zinc/87/01/45/383870145.db2.gz VZFYUBHJQXCEHU-UHFFFAOYSA-N 0 0 236.340 2.464 50 0 BEAARN COC(=O)c1[nH]c2ccc(C)cc2c1C[NH+](C)C ZINC000000486984 383873159 /nfs/dbraw/zinc/87/31/59/383873159.db2.gz YFKNTUGOXWYJIC-UHFFFAOYSA-N 0 0 246.310 2.325 50 0 biogenic BEAARN CCC(CC)c1nnc(NC(C)=O)s1 ZINC000000804661 383881136 /nfs/dbraw/zinc/88/11/36/383881136.db2.gz KEUUZQVZXRTAER-UHFFFAOYSA-N 0 0 213.306 2.400 50 0 BEAARN COc1cc(N)ccc1NC(=O)CC(C)C ZINC000000569968 383875386 /nfs/dbraw/zinc/87/53/86/383875386.db2.gz BHCSETQJQCOFJF-UHFFFAOYSA-N 0 0 222.288 2.262 50 0 BEAARN CC(C)CN1C(=S)N=NC1c1ccncc1 ZINC000000555604 383875576 /nfs/dbraw/zinc/87/55/76/383875576.db2.gz OLDWWFJZRSOFQL-UHFFFAOYSA-N 0 0 234.328 2.285 50 0 BEAARN CC(=O)NC(=S)Nc1ccc(C)c(C)c1 ZINC000000611129 383876425 /nfs/dbraw/zinc/87/64/25/383876425.db2.gz BDTUZPMWXCIQOG-UHFFFAOYSA-N 0 0 222.313 2.136 50 0 BEAARN COC(=O)c1cc2cc(N)ccc2s1 ZINC000000130609 383831095 /nfs/dbraw/zinc/83/10/95/383831095.db2.gz SIMBULBEQVHFPK-UHFFFAOYSA-N 0 0 207.254 2.270 50 0 BEAARN CC(=O)OC[C@@H](C)CC[C@H](C)COC(C)=O ZINC000001632767 383915117 /nfs/dbraw/zinc/91/51/17/383915117.db2.gz YQQPADUOKRFGKM-UWVGGRQHSA-N 0 0 230.304 2.165 50 0 BEAARN CSC1=N[C@]2(C[C@H]2c2ccccc2)C(=O)N1C ZINC000001658334 383917490 /nfs/dbraw/zinc/91/74/90/383917490.db2.gz UFKUQROJBMEUTQ-GWCFXTLKSA-N 0 0 246.335 2.104 50 0 BEAARN CC(C)c1nc(-c2cnn(C)n2)cs1 ZINC000283806933 383920138 /nfs/dbraw/zinc/92/01/38/383920138.db2.gz CIYFJXMWFZGWBU-UHFFFAOYSA-N 0 0 208.290 2.062 50 0 BEAARN c1cn(Cc2cccnc2)c(-c2ccncc2)n1 ZINC000067540632 383929196 /nfs/dbraw/zinc/92/91/96/383929196.db2.gz OJNOYMZQEXKUEP-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN CCOCc1nncn1-c1ccc(Cl)cc1 ZINC000067588651 383929225 /nfs/dbraw/zinc/92/92/25/383929225.db2.gz NOLXRTRVNGNYGS-UHFFFAOYSA-N 0 0 237.690 2.457 50 0 BEAARN CCc1ccc(OCC(=O)NC(C)C)cc1 ZINC000000858950 383882733 /nfs/dbraw/zinc/88/27/33/383882733.db2.gz SDOLZAAKCZLEKF-UHFFFAOYSA-N 0 0 221.300 2.152 50 0 BEAARN CCOC(=O)/C=C/c1ccc(OC)cc1 ZINC000000899863 383883989 /nfs/dbraw/zinc/88/39/89/383883989.db2.gz DHNGCHLFKUPGPX-RMKNXTFCSA-N 0 0 206.241 2.272 50 0 endogenous,in-man BEAARN CC(C)CC(=O)N(C)CCc1ccccn1 ZINC000000859009 383884119 /nfs/dbraw/zinc/88/41/19/383884119.db2.gz RJVFCVGNQIVJBF-UHFFFAOYSA-N 0 0 220.316 2.129 50 0 BEAARN Cc1ccnc(NC(=O)C2CCCCC2)n1 ZINC000001006351 383885580 /nfs/dbraw/zinc/88/55/80/383885580.db2.gz GUSAXSMNYBRIKG-UHFFFAOYSA-N 0 0 219.288 2.304 50 0 BEAARN CCOc1cccc(Br)n1 ZINC000000966671 383887059 /nfs/dbraw/zinc/88/70/59/383887059.db2.gz UOYDOTUNXZKLMI-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN COC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000001104755 383888559 /nfs/dbraw/zinc/88/85/59/383888559.db2.gz NBLMSLSUZWYTFT-UHFFFAOYSA-N 0 0 221.187 2.267 50 0 BEAARN COC(=O)c1ccccc1-c1cc(C)no1 ZINC000001070878 383889162 /nfs/dbraw/zinc/88/91/62/383889162.db2.gz AZPOFJVSWSMLMJ-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN CN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000036379999 383901196 /nfs/dbraw/zinc/90/11/96/383901196.db2.gz IVHKQRVWSJYCTF-JTQLQIEISA-N 0 0 233.233 2.042 50 0 BEAARN COC(=O)c1ccc2ccccc2c1N ZINC000037475368 383980031 /nfs/dbraw/zinc/98/00/31/383980031.db2.gz BQCNDQVTNMXQGK-UHFFFAOYSA-N 0 0 201.225 2.209 50 0 BEAARN Cc1nsc(N2CCc3ccccc3C2)n1 ZINC000089721407 383990081 /nfs/dbraw/zinc/99/00/81/383990081.db2.gz GACFVUCNXOEPBP-UHFFFAOYSA-N 0 0 231.324 2.409 50 0 BEAARN CC(C)CNC(=O)[C@H](C)Oc1ccccc1 ZINC000002840195 383990734 /nfs/dbraw/zinc/99/07/34/383990734.db2.gz SHLXTEZABWRBDC-NSHDSACASA-N 0 0 221.300 2.226 50 0 BEAARN C[C@H](NC(=O)N(C)C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000360234406 383992006 /nfs/dbraw/zinc/99/20/06/383992006.db2.gz MTEFKOZJSVLBNI-KWBADKCTSA-N 0 0 248.326 2.211 50 0 BEAARN CCCCNC(=O)C(=O)Nc1c(C)cccc1C ZINC000002906405 383993218 /nfs/dbraw/zinc/99/32/18/383993218.db2.gz KYJWRBWSGCVOBF-UHFFFAOYSA-N 0 0 248.326 2.158 50 0 BEAARN COC(=O)c1cc(-c2cccs2)no1 ZINC000000266346 383994904 /nfs/dbraw/zinc/99/49/04/383994904.db2.gz WPEYZYMKIDHBHZ-UHFFFAOYSA-N 0 0 209.226 2.190 50 0 BEAARN COC(=O)c1cc(-c2ccccc2OC)no1 ZINC000000266338 383995820 /nfs/dbraw/zinc/99/58/20/383995820.db2.gz CAFSWSWTZSSWHY-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 BEAARN CN(Cc1ccccc1)C(=O)c1ccncc1 ZINC000003159757 383999434 /nfs/dbraw/zinc/99/94/34/383999434.db2.gz YTVHFZGQBLGBMT-UHFFFAOYSA-N 0 0 226.279 2.354 50 0 BEAARN CO[C@@H](C)c1nncn1-c1cccc(C(C)=O)c1 ZINC000067673166 383936545 /nfs/dbraw/zinc/93/65/45/383936545.db2.gz YIEMYKQRXBIKCB-JTQLQIEISA-N 0 0 245.282 2.177 50 0 BEAARN O=C(O[C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000071773951 384000022 /nfs/dbraw/zinc/00/00/22/384000022.db2.gz DQJWAUDLUKISHH-NWDGAFQWSA-N 0 0 220.268 2.147 50 0 BEAARN Nc1n[nH]c2cc(Br)cc(F)c12 ZINC000089197478 383944645 /nfs/dbraw/zinc/94/46/45/383944645.db2.gz OLSISKHGQBVTEW-UHFFFAOYSA-N 0 0 230.040 2.047 50 0 BEAARN Cc1ccc(F)c(-c2cc(C(N)=O)ccn2)c1 ZINC000067787937 383947509 /nfs/dbraw/zinc/94/75/09/383947509.db2.gz FBRIIHYOBQOMHR-UHFFFAOYSA-N 0 0 230.242 2.295 50 0 BEAARN Cn1ccnc1-c1nccn1C1CCCC1 ZINC000067803631 383950375 /nfs/dbraw/zinc/95/03/75/383950375.db2.gz MWDCQDLAWURFGG-UHFFFAOYSA-N 0 0 216.288 2.399 50 0 BEAARN COc1c(F)cc(-c2cc[nH]n2)cc1F ZINC000067822170 383950390 /nfs/dbraw/zinc/95/03/90/383950390.db2.gz GAWDLLFBPGCPOP-UHFFFAOYSA-N 0 0 210.183 2.364 50 0 BEAARN c1cn(Cc2ccsc2)c(-c2c[nH]cn2)n1 ZINC000067869341 383954458 /nfs/dbraw/zinc/95/44/58/383954458.db2.gz DDASSPHTNRWBHI-UHFFFAOYSA-N 0 0 230.296 2.383 50 0 BEAARN CC(=O)CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000002165918 383954568 /nfs/dbraw/zinc/95/45/68/383954568.db2.gz UVHFHDNHBPJGHU-NSHDSACASA-N 0 0 233.311 2.103 50 0 BEAARN c1c([C@@H]2CC=CCC2)nnn1CC[NH+]1CCCC1 ZINC000067884982 383956814 /nfs/dbraw/zinc/95/68/14/383956814.db2.gz LKGYPNGBVBVDOD-CYBMUJFWSA-N 0 0 246.358 2.198 50 0 BEAARN O=C(O[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000071773952 384001256 /nfs/dbraw/zinc/00/12/56/384001256.db2.gz DQJWAUDLUKISHH-RYUDHWBXSA-N 0 0 220.268 2.147 50 0 BEAARN CSc1nccc(-c2ccccc2CO)n1 ZINC000067982625 383966751 /nfs/dbraw/zinc/96/67/51/383966751.db2.gz ZQDFLWXSYVDCGV-UHFFFAOYSA-N 0 0 232.308 2.358 50 0 BEAARN CC(C)(C)c1ccc(C[C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000002504870 383967658 /nfs/dbraw/zinc/96/76/58/383967658.db2.gz KDMFJTJDCJZSGE-GFCCVEGCSA-N 0 0 235.327 2.329 50 0 BEAARN Nc1nn(Cc2ccccc2)cc1Cl ZINC000002558397 383973503 /nfs/dbraw/zinc/97/35/03/383973503.db2.gz BSGUZLNRTIBOLM-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CO ZINC000002541650 383974045 /nfs/dbraw/zinc/97/40/45/383974045.db2.gz XUFBETUUQRMWRY-UWVGGRQHSA-N 0 0 229.320 2.062 50 0 BEAARN COC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002539448 383974268 /nfs/dbraw/zinc/97/42/68/383974268.db2.gz UXJRQNXHCZKHRJ-UHFFFAOYSA-N 0 0 226.100 2.169 50 0 BEAARN O=S(=O)(NC1CCCCC1)c1cccs1 ZINC000000241699 383974471 /nfs/dbraw/zinc/97/44/71/383974471.db2.gz BVFHYQDHIVGFSH-UHFFFAOYSA-N 0 0 245.369 2.359 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000089536772 383976078 /nfs/dbraw/zinc/97/60/78/383976078.db2.gz UDWXGBZWWAUWHC-STQMWFEESA-N 0 0 248.326 2.107 50 0 BEAARN Nc1nsc(-c2ccc(Cl)cc2)n1 ZINC000002563886 383976524 /nfs/dbraw/zinc/97/65/24/383976524.db2.gz XVSZVIZTUWVCFL-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Nc1nsc(SCc2ccccc2)n1 ZINC000002569837 383976575 /nfs/dbraw/zinc/97/65/75/383976575.db2.gz VTSHLDJUHMNAIL-UHFFFAOYSA-N 0 0 223.326 2.413 50 0 BEAARN Cc1nc(C)c(C(=O)N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000089558033 383977143 /nfs/dbraw/zinc/97/71/43/383977143.db2.gz RIBXAZRXAREFDT-GHMZBOCLSA-N 0 0 234.299 2.164 50 0 BEAARN CCOCCn1c(COC)nc2ccccc21 ZINC000032991788 384016993 /nfs/dbraw/zinc/01/69/93/384016993.db2.gz MDCWWYAHVIYCQA-UHFFFAOYSA-N 0 0 234.299 2.219 50 0 BEAARN CCCN(C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000335066592 384019338 /nfs/dbraw/zinc/01/93/38/384019338.db2.gz AUOWZLUPVKQLAR-VHSXEESVSA-N 0 0 201.285 2.383 50 0 BEAARN CO[C@H]1CCC12CCN(C(=O)c1ccoc1)CC2 ZINC000257182399 384024028 /nfs/dbraw/zinc/02/40/28/384024028.db2.gz PDMVGZNDNKRVNW-LBPRGKRZSA-N 0 0 249.310 2.311 50 0 BEAARN Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000003716243 384025499 /nfs/dbraw/zinc/02/54/99/384025499.db2.gz JYCFJJIHQAFOMS-UHFFFAOYSA-N 0 0 225.704 2.365 50 0 BEAARN O=C(c1ccoc1)N1CCOC2(CCCC2)C1 ZINC000089885133 384003846 /nfs/dbraw/zinc/00/38/46/384003846.db2.gz RCDDQRADQDGALH-UHFFFAOYSA-N 0 0 235.283 2.065 50 0 BEAARN CC(C)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000089893412 384007620 /nfs/dbraw/zinc/00/76/20/384007620.db2.gz AYCMZWIPOCDBMN-UHFFFAOYSA-N 0 0 227.329 2.206 50 0 BEAARN CC(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000089930019 384010908 /nfs/dbraw/zinc/01/09/08/384010908.db2.gz GJUKTYBODLUOKD-JTQLQIEISA-N 0 0 218.300 2.268 50 0 BEAARN COC(=O)c1c(N)scc1CC(C)C ZINC000004218250 384048047 /nfs/dbraw/zinc/04/80/47/384048047.db2.gz XVYAEAXXDWJBDM-UHFFFAOYSA-N 0 0 213.302 2.315 50 0 BEAARN O=C(C(F)(F)F)C(Cl)(Cl)Cl ZINC000004290128 384052704 /nfs/dbraw/zinc/05/27/04/384052704.db2.gz AVTAIKNWAIKGEV-UHFFFAOYSA-N 0 0 215.385 2.488 50 0 BEAARN O=Cc1ccc(-c2ccc(C=O)cn2)cc1 ZINC000003884525 384031079 /nfs/dbraw/zinc/03/10/79/384031079.db2.gz ZVFZQBYTHFYAJE-UHFFFAOYSA-N 0 0 211.220 2.374 50 0 BEAARN COC(=O)c1ccc(-c2ccc(C=O)cn2)cc1 ZINC000003884526 384032001 /nfs/dbraw/zinc/03/20/01/384032001.db2.gz LSJIESUYNCMVJT-UHFFFAOYSA-N 0 0 241.246 2.348 50 0 BEAARN CC(=O)C(Cc1cnc(Cl)s1)C(C)=O ZINC000004025034 384037062 /nfs/dbraw/zinc/03/70/62/384037062.db2.gz NEEKQPAGXKCDRZ-UHFFFAOYSA-N 0 0 231.704 2.133 50 0 BEAARN CC(=O)c1ccc(Oc2cnccn2)cc1 ZINC000004108348 384039217 /nfs/dbraw/zinc/03/92/17/384039217.db2.gz GSBXSXPYOVTBLH-UHFFFAOYSA-N 0 0 214.224 2.472 50 0 BEAARN CC(=O)c1cc2c(cc1Cl)OCCO2 ZINC000004837365 384084334 /nfs/dbraw/zinc/08/43/34/384084334.db2.gz PFZDFVHVKYRYBE-UHFFFAOYSA-N 0 0 212.632 2.314 50 0 BEAARN COC(=O)CSc1ccc(Cl)cn1 ZINC000070203125 384086771 /nfs/dbraw/zinc/08/67/71/384086771.db2.gz NWTQMVWNBJCTAR-UHFFFAOYSA-N 0 0 217.677 2.000 50 0 BEAARN Cc1nnc2sc(-c3cccc(N)c3C)nn12 ZINC000004414578 384060234 /nfs/dbraw/zinc/06/02/34/384060234.db2.gz XTONFSXFVGLULD-UHFFFAOYSA-N 0 0 245.311 2.052 50 0 BEAARN Cc1c(N)cccc1-c1ccc(CO)o1 ZINC000004414581 384061139 /nfs/dbraw/zinc/06/11/39/384061139.db2.gz DKEGWDUJJTYEMQ-UHFFFAOYSA-N 0 0 203.241 2.330 50 0 BEAARN O=c1cc(Br)ccn1CC1CC1 ZINC000115082380 384067475 /nfs/dbraw/zinc/06/74/75/384067475.db2.gz VSECUINYDRVDMH-UHFFFAOYSA-N 0 0 228.089 2.021 50 0 BEAARN COc1ccc([C@@H](C)n2nccc2N)cc1OC ZINC000004575260 384068992 /nfs/dbraw/zinc/06/89/92/384068992.db2.gz IXEBHRLINODWNZ-SECBINFHSA-N 0 0 247.298 2.092 50 0 BEAARN CC(=O)O[C@@H]1CCc2ccccc2[C@H]1OC(C)=O ZINC000004667596 384075258 /nfs/dbraw/zinc/07/52/58/384075258.db2.gz PWDTYDXUIYVSGG-ZIAGYGMSSA-N 0 0 248.278 2.169 50 0 BEAARN CCOCc1nnc(NC(=O)CC(C)C)s1 ZINC000004715244 384077884 /nfs/dbraw/zinc/07/78/84/384077884.db2.gz UDDFQPMUNOBOIA-UHFFFAOYSA-N 0 0 243.332 2.059 50 0 BEAARN O=C(/C=C/c1ccccc1F)NC1CC1 ZINC000004769711 384080497 /nfs/dbraw/zinc/08/04/97/384080497.db2.gz COHDKXPUJOQBDG-VMPITWQZSA-N 0 0 205.232 2.118 50 0 BEAARN COC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115734260 384095682 /nfs/dbraw/zinc/09/56/82/384095682.db2.gz MFECLAWYWGNXOB-UHFFFAOYSA-N 0 0 207.204 2.023 50 0 BEAARN CC1(C)Nc2cc(Cl)ccc2NC1=O ZINC000038997202 384098884 /nfs/dbraw/zinc/09/88/84/384098884.db2.gz MDIKUHNABMMQPX-UHFFFAOYSA-N 0 0 210.664 2.483 50 0 BEAARN Cc1cc(C(N)=O)cc(C(F)(F)F)c1F ZINC000091252360 384112028 /nfs/dbraw/zinc/11/20/28/384112028.db2.gz DBFJVYYVOCZDBU-UHFFFAOYSA-N 0 0 221.153 2.252 50 0 BEAARN CCc1cc(CCOC)nc(N2CCCCC2)n1 ZINC000091305361 384118682 /nfs/dbraw/zinc/11/86/82/384118682.db2.gz RJOFRZIXQYQYJA-UHFFFAOYSA-N 0 0 249.358 2.218 50 0 BEAARN COC(=O)c1ccc2nc(SC)oc2c1 ZINC000091297397 384115027 /nfs/dbraw/zinc/11/50/27/384115027.db2.gz BDKGTQWURKNUJN-UHFFFAOYSA-N 0 0 223.253 2.336 50 0 BEAARN O=C(CC(=O)c1ccccc1)Nc1ccccn1 ZINC000000363815 384134377 /nfs/dbraw/zinc/13/43/77/384134377.db2.gz UIRZFLDAYHVJOK-UHFFFAOYSA-N 0 0 240.262 2.293 50 0 BEAARN CC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072208933 384124076 /nfs/dbraw/zinc/12/40/76/384124076.db2.gz RMDGQPFDHSRKFU-VIFPVBQESA-N 0 0 215.293 2.125 50 0 BEAARN Brc1ncn(Cc2ccccc2)n1 ZINC000040162984 384128544 /nfs/dbraw/zinc/12/85/44/384128544.db2.gz RWPPUFZGOREGPN-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN CCc1ccc2c(c1)c1nnc(=S)[nH]c1n2C ZINC000005823289 384132056 /nfs/dbraw/zinc/13/20/56/384132056.db2.gz GBTHLTJFMWHZCW-UHFFFAOYSA-N 0 0 244.323 2.368 50 0 BEAARN C[C@H](NC(=O)n1ccnc1)c1ccccc1 ZINC000006187587 384147432 /nfs/dbraw/zinc/14/74/32/384147432.db2.gz LBUGXHLSGRNSOZ-JTQLQIEISA-N 0 0 215.256 2.202 50 0 in-vitro BEAARN Cc1cc(C)c2nc(C)cc(C(N)=O)c2c1 ZINC000006202237 384147481 /nfs/dbraw/zinc/14/74/81/384147481.db2.gz VITBLLYQEQPVBN-UHFFFAOYSA-N 0 0 214.268 2.259 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCn2c3ccccc3nc21 ZINC000029375692 384151587 /nfs/dbraw/zinc/15/15/87/384151587.db2.gz XDFJQIKRBQTLIQ-NXEZZACHSA-N 0 0 241.294 2.039 50 0 BEAARN Cc1cc(NC(=O)COc2ccc(C)cc2)no1 ZINC000000364954 384138873 /nfs/dbraw/zinc/13/88/73/384138873.db2.gz FWJPNCNKTXUHCX-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN COC(=O)Cc1cc(F)cc(Br)c1 ZINC000116520890 384139392 /nfs/dbraw/zinc/13/93/92/384139392.db2.gz AJSCFDHWZUZCNE-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN CC(C)[C@](C)(O)CNc1cnc2ccccc2n1 ZINC000071902767 384141069 /nfs/dbraw/zinc/14/10/69/384141069.db2.gz IRNTVBXWSFQION-CQSZACIVSA-N 0 0 245.326 2.449 50 0 BEAARN CC(C)c1cccc(O[C@@H](C)C(N)=O)c1 ZINC000033433075 384172206 /nfs/dbraw/zinc/17/22/06/384172206.db2.gz DCMZTOQOSDMQKV-VIFPVBQESA-N 0 0 207.273 2.063 50 0 BEAARN Cc1noc(C)c1CNC(=O)CC(C)(C)C ZINC000067755887 384176554 /nfs/dbraw/zinc/17/65/54/384176554.db2.gz JYXCVDXTYWECIH-UHFFFAOYSA-N 0 0 224.304 2.344 50 0 BEAARN CC(C)c1cccc(O[C@H](C)C(N)=O)c1 ZINC000033433076 384172453 /nfs/dbraw/zinc/17/24/53/384172453.db2.gz DCMZTOQOSDMQKV-SECBINFHSA-N 0 0 207.273 2.063 50 0 BEAARN COC(=O)[C@]1(C(F)(F)F)CC(C)=C(C)CO1 ZINC000004698301 384173739 /nfs/dbraw/zinc/17/37/39/384173739.db2.gz JXWPSSTYUHCORO-VIFPVBQESA-N 0 0 238.205 2.217 50 0 BEAARN C=CN1CCCC[C@H](C(=O)c2ccncc2)C1=O ZINC000006658276 384160015 /nfs/dbraw/zinc/16/00/15/384160015.db2.gz OUXUWUZGOHBWLA-GFCCVEGCSA-N 0 0 244.294 2.037 50 0 BEAARN CO[C@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC000042750862 384160433 /nfs/dbraw/zinc/16/04/33/384160433.db2.gz AAAAVBYIMNPDDT-CYBMUJFWSA-N 0 0 233.311 2.457 50 0 BEAARN CCCCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000006699560 384162757 /nfs/dbraw/zinc/16/27/57/384162757.db2.gz WWZHEDYFMNESLR-UHFFFAOYSA-N 0 0 249.282 2.043 50 0 BEAARN Cn1nccc1C(=O)NCc1ccc(Cl)cc1 ZINC000006742479 384164247 /nfs/dbraw/zinc/16/42/47/384164247.db2.gz XADWAJBRTCIWIC-UHFFFAOYSA-N 0 0 249.701 2.004 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)o1 ZINC000006726415 384165927 /nfs/dbraw/zinc/16/59/27/384165927.db2.gz AHMXBVWBAAPFBY-CABZTGNLSA-N 0 0 237.299 2.194 50 0 BEAARN COC(=O)c1ccc(NCC(C)C)c(N)c1 ZINC000041046121 384176239 /nfs/dbraw/zinc/17/62/39/384176239.db2.gz LWLURPGYNKLDPQ-UHFFFAOYSA-N 0 0 222.288 2.123 50 0 BEAARN Cc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000097372746 384176282 /nfs/dbraw/zinc/17/62/82/384176282.db2.gz NVTBGSGMYWQJSJ-QWRGUYRKSA-N 0 0 249.314 2.031 50 0 BEAARN COC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000006751489 384167581 /nfs/dbraw/zinc/16/75/81/384167581.db2.gz GLGJCZQHYJZQMC-UHFFFAOYSA-N 0 0 201.225 2.468 50 0 BEAARN CC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000006857056 384169620 /nfs/dbraw/zinc/16/96/20/384169620.db2.gz MBFSMDCNNPTNBG-ZDUSSCGKSA-N 0 0 235.283 2.203 50 0 BEAARN CCCCCCC(=O)Cn1nc(C)ccc1=O ZINC000071773416 384178076 /nfs/dbraw/zinc/17/80/76/384178076.db2.gz ONRBRUUDIAMVIN-UHFFFAOYSA-N 0 0 236.315 2.091 50 0 BEAARN O=C(CC(=O)c1ccccc1)Nc1nccs1 ZINC000071774260 384178413 /nfs/dbraw/zinc/17/84/13/384178413.db2.gz IORLORVJXKMMAR-UHFFFAOYSA-N 0 0 246.291 2.355 50 0 BEAARN O=C(/C=C\c1cccs1)n1cccn1 ZINC000033456615 384178655 /nfs/dbraw/zinc/17/86/55/384178655.db2.gz NKULEHAQFIEXHH-PLNGDYQASA-N 0 0 204.254 2.298 50 0 BEAARN CC1(C)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000071774228 384178730 /nfs/dbraw/zinc/17/87/30/384178730.db2.gz KKUDEZRMGCRZNF-JTQLQIEISA-N 0 0 210.298 2.259 50 0 BEAARN CC(=O)N1C[C@H](C)CNc2ccccc21 ZINC000071790376 384180644 /nfs/dbraw/zinc/18/06/44/384180644.db2.gz WMBHINWRJXGBIE-SECBINFHSA-N 0 0 204.273 2.101 50 0 BEAARN FC(F)(F)c1ccccc1CNn1cnnc1 ZINC000007602023 384181879 /nfs/dbraw/zinc/18/18/79/384181879.db2.gz DYALORFYXVDQBG-UHFFFAOYSA-N 0 0 242.204 2.041 50 0 BEAARN CC(C)C(=O)Nc1ccccc1C[S@](C)=O ZINC000097377144 384182874 /nfs/dbraw/zinc/18/28/74/384182874.db2.gz JMHRVSCYZUMDAQ-MRXNPFEDSA-N 0 0 239.340 2.160 50 0 BEAARN Cc1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000002762550 384184478 /nfs/dbraw/zinc/18/44/78/384184478.db2.gz MBFDGPSHOHTRQI-NSHDSACASA-N 0 0 221.300 2.287 50 0 BEAARN Cn1ncc2cc(Br)c(F)cc21 ZINC000082349683 384203585 /nfs/dbraw/zinc/20/35/85/384203585.db2.gz LILHEKOPCWVHAA-UHFFFAOYSA-N 0 0 229.052 2.475 50 0 BEAARN Cc1ccc2c(c1)OCCN2Cc1csnn1 ZINC000097379106 384186397 /nfs/dbraw/zinc/18/63/97/384186397.db2.gz PLDLLXKMAZIHTB-UHFFFAOYSA-N 0 0 247.323 2.246 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)C2CCC2)C1(C)C ZINC000071915418 384190392 /nfs/dbraw/zinc/19/03/92/384190392.db2.gz FMXVPPBHMPIQLY-WDEREUQCSA-N 0 0 225.332 2.106 50 0 BEAARN Cc1ccc(F)c(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000071916396 384194416 /nfs/dbraw/zinc/19/44/16/384194416.db2.gz PFWZWQJCBOHRPI-JTQLQIEISA-N 0 0 239.290 2.426 50 0 BEAARN COC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000113065142 384232472 /nfs/dbraw/zinc/23/24/72/384232472.db2.gz ILUDJLPAOKJSHK-UHFFFAOYSA-N 0 0 229.320 2.422 50 0 BEAARN CC(=O)Nc1cc(C)c(Br)cn1 ZINC000008698183 384209307 /nfs/dbraw/zinc/20/93/07/384209307.db2.gz WVJCOPBDWMWUNP-UHFFFAOYSA-N 0 0 229.077 2.111 50 0 BEAARN O=Cc1n[nH]c2ccc(Br)cc12 ZINC000008698531 384209745 /nfs/dbraw/zinc/20/97/45/384209745.db2.gz ILGTYHMEQSSHFG-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN Cc1[nH]nc(C2CC2)c1Br ZINC000042384125 384217621 /nfs/dbraw/zinc/21/76/21/384217621.db2.gz WHUHUJYSLJXNNT-UHFFFAOYSA-N 0 0 201.067 2.358 50 0 BEAARN CC(=O)c1c(O)ccnc1C(F)(F)F ZINC000008826586 384222213 /nfs/dbraw/zinc/22/22/13/384222213.db2.gz URVYIANWVKDPOL-UHFFFAOYSA-N 0 0 205.135 2.009 50 0 BEAARN CC(C)(C)OC(=O)N1C(=O)[C@H]2CCCC[C@H]21 ZINC000072481875 384224341 /nfs/dbraw/zinc/22/43/41/384224341.db2.gz QIFOHUUCJIDZOS-DTWKUNHWSA-N 0 0 225.288 2.323 50 0 BEAARN CC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000072529720 384226145 /nfs/dbraw/zinc/22/61/45/384226145.db2.gz QUCZTMODPVWPBK-UHFFFAOYSA-N 0 0 205.044 2.347 50 0 BEAARN CC(C)CS[C@@H](C)C(=O)NC1CC1 ZINC000061061382 384227721 /nfs/dbraw/zinc/22/77/21/384227721.db2.gz HLAYJGUQVPBLBL-QMMMGPOBSA-N 0 0 201.335 2.043 50 0 BEAARN CC(C)n1ncc2cc(NC(=O)C3CC3)cnc21 ZINC000017525831 384248029 /nfs/dbraw/zinc/24/80/29/384248029.db2.gz VFJBJILQMSFWQK-UHFFFAOYSA-N 0 0 244.298 2.361 50 0 BEAARN COc1cccc(C(=O)NCC2(CF)CC2)c1 ZINC000408516581 384265533 /nfs/dbraw/zinc/26/55/33/384265533.db2.gz HNTWDESPKMCJGI-UHFFFAOYSA-N 0 0 237.274 2.175 50 0 BEAARN Cc1ccc(F)cc1CN1C(=O)C[C@H](C)C1=O ZINC000187172151 384265559 /nfs/dbraw/zinc/26/55/59/384265559.db2.gz IGEOBNASZGNBDU-VIFPVBQESA-N 0 0 235.258 2.029 50 0 BEAARN S=C1N=NC(C2CC2)N1Cc1ccccc1 ZINC000012484272 384322368 /nfs/dbraw/zinc/32/23/68/384322368.db2.gz KERPBPQHHRPCMV-UHFFFAOYSA-N 0 0 231.324 2.493 50 0 BEAARN c1ccc2c(c1)[nH]c1c2CCC[C@@H]1c1nn[nH]n1 ZINC000012360261 384313143 /nfs/dbraw/zinc/31/31/43/384313143.db2.gz YHYKGFZOFABBRE-JTQLQIEISA-N 0 0 239.282 2.149 50 0 BEAARN O=Cc1cn(CC(F)(F)F)nc1C1CC1 ZINC000012395190 384316436 /nfs/dbraw/zinc/31/64/36/384316436.db2.gz HBCRWDPMJZBYPQ-UHFFFAOYSA-N 0 0 218.178 2.135 50 0 BEAARN COC(=O)c1c(=O)[nH]ccc1-c1ccc(C)cc1 ZINC000044154572 384316526 /nfs/dbraw/zinc/31/65/26/384316526.db2.gz STYZUCBZLSWMTP-UHFFFAOYSA-N 0 0 243.262 2.137 50 0 BEAARN CCSCCS[C@H](C)c1nccc(N)n1 ZINC000408523098 384287175 /nfs/dbraw/zinc/28/71/75/384287175.db2.gz GSDNSNKWUAXZIK-MRVPVSSYSA-N 0 0 243.401 2.436 50 0 BEAARN c1cn2cccc(OCC[C@H]3CCCO3)c2n1 ZINC000408524992 384290297 /nfs/dbraw/zinc/29/02/97/384290297.db2.gz FTAMSHFTXVURIO-LLVKDONJSA-N 0 0 232.283 2.282 50 0 BEAARN CCc1ccc2c(c1)C(C)(C)[C@@]1(C)NC(=O)CN21 ZINC000011731170 384296270 /nfs/dbraw/zinc/29/62/70/384296270.db2.gz QLBXBACRPJYSTI-HNNXBMFYSA-N 0 0 244.338 2.193 50 0 BEAARN CC(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000011888251 384301465 /nfs/dbraw/zinc/30/14/65/384301465.db2.gz OZONUSMRKZZGLS-UHFFFAOYSA-N 0 0 235.674 2.432 50 0 BEAARN Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1F ZINC000012923225 384342960 /nfs/dbraw/zinc/34/29/60/384342960.db2.gz PEEHYZLYDGQBOY-LLVKDONJSA-N 0 0 237.274 2.043 50 0 BEAARN CC(=O)c1ccccc1NC(=O)C1CC1 ZINC000012931496 384344503 /nfs/dbraw/zinc/34/45/03/384344503.db2.gz CEIMIHYTNNXCCI-UHFFFAOYSA-N 0 0 203.241 2.238 50 0 BEAARN COC(=O)c1cc(C)nn1Cc1ccc(F)cc1 ZINC000044672040 384351493 /nfs/dbraw/zinc/35/14/93/384351493.db2.gz POHBSWORYQPQQN-UHFFFAOYSA-N 0 0 248.257 2.166 50 0 BEAARN O=C(/C=C/c1cccs1)NCc1ccccn1 ZINC000013285118 384353738 /nfs/dbraw/zinc/35/37/38/384353738.db2.gz DNEBMUGYDWPYTF-VOTSOKGWSA-N 0 0 244.319 2.473 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCO2)cc1 ZINC000013327702 384356911 /nfs/dbraw/zinc/35/69/11/384356911.db2.gz HLHIJMBYGLSGPE-AAEUAGOBSA-N 0 0 233.311 2.351 50 0 BEAARN Cc1ccc(C)c(O[C@@H](C)C(=O)NC2CC2)c1 ZINC000013710447 384367590 /nfs/dbraw/zinc/36/75/90/384367590.db2.gz WDNBWRWBOQFFPS-NSHDSACASA-N 0 0 233.311 2.349 50 0 BEAARN Cc1nnc2sc(/C=C/c3cccnc3)nn12 ZINC000013691038 384368962 /nfs/dbraw/zinc/36/89/62/384368962.db2.gz ZXCXXFOBXOLICQ-SNAWJCMRSA-N 0 0 243.295 2.060 50 0 BEAARN CN(Cc1cncs1)Cc1ccccn1 ZINC000097113795 384369543 /nfs/dbraw/zinc/36/95/43/384369543.db2.gz XQFSCSSFYHUDON-UHFFFAOYSA-N 0 0 219.313 2.170 50 0 BEAARN CCCc1nnc(NCCCn2ccnc2C)o1 ZINC000095390749 384372345 /nfs/dbraw/zinc/37/23/45/384372345.db2.gz FNVRFIHZYHIEDT-UHFFFAOYSA-N 0 0 249.318 2.029 50 0 BEAARN CCOCCOc1ccc(C(C)(C)O)cc1 ZINC000097082655 384323476 /nfs/dbraw/zinc/32/34/76/384323476.db2.gz SCHOXMNAIJOQPN-UHFFFAOYSA-N 0 0 224.300 2.329 50 0 BEAARN Cc1ccc(C(=O)Nc2ccccn2)o1 ZINC000000474672 384325499 /nfs/dbraw/zinc/32/54/99/384325499.db2.gz SNNGEECDWUXXFU-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Nc1nnc(-c2cc(-c3cccs3)on2)o1 ZINC000000615378 384331242 /nfs/dbraw/zinc/33/12/42/384331242.db2.gz JBOHYISHYAPTEL-UHFFFAOYSA-N 0 0 234.240 2.035 50 0 BEAARN O=C1Nc2cc(Br)ccc2C1(F)F ZINC000095774136 384395190 /nfs/dbraw/zinc/39/51/90/384395190.db2.gz KKRAAULUIAIYBS-UHFFFAOYSA-N 0 0 248.026 2.493 50 0 BEAARN CN(Cc1ccco1)Cc1nc(C2CC2)no1 ZINC000043999733 384398307 /nfs/dbraw/zinc/39/83/07/384398307.db2.gz YQCDNLXQFCIIHX-UHFFFAOYSA-N 0 0 233.271 2.172 50 0 BEAARN COc1cc(C)ccc1Oc1nn(C)cc1N ZINC000095836585 384403540 /nfs/dbraw/zinc/40/35/40/384403540.db2.gz PVFRCHHXYQOBCI-UHFFFAOYSA-N 0 0 233.271 2.112 50 0 BEAARN CCONC(=O)c1cc2ccc(F)cc2nc1C ZINC000032857777 384404467 /nfs/dbraw/zinc/40/44/67/384404467.db2.gz OCFHATLNTYIHKC-UHFFFAOYSA-N 0 0 248.257 2.364 50 0 BEAARN CC(C)(C)c1nc(Br)no1 ZINC000095929114 384410218 /nfs/dbraw/zinc/41/02/18/384410218.db2.gz LEFVEWIUWCRZFA-UHFFFAOYSA-N 0 0 205.055 2.130 50 0 BEAARN Cc1nocc1CN[C@@H]1CCCC[C@H]1F ZINC000335630442 384410540 /nfs/dbraw/zinc/41/05/40/384410540.db2.gz CQBJQDQPLHLNNQ-GHMZBOCLSA-N 0 0 212.268 2.353 50 0 BEAARN CC[C@H]1c2cccn2CCN1C(=O)c1ccno1 ZINC000077539934 384411714 /nfs/dbraw/zinc/41/17/14/384411714.db2.gz LJTCGWYWJAKLSP-JTQLQIEISA-N 0 0 245.282 2.083 50 0 BEAARN CCOc1cc(Br)ccn1 ZINC000014982254 384412455 /nfs/dbraw/zinc/41/24/55/384412455.db2.gz XHPRAYURZWKYAV-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN c1c[nH]c(-c2nc(-c3cccnc3)no2)c1 ZINC000045893711 384414180 /nfs/dbraw/zinc/41/41/80/384414180.db2.gz INEUBAZFBRVVBF-UHFFFAOYSA-N 0 0 212.212 2.127 50 0 BEAARN C[C@H]1Sc2nncn2N=C1c1ccccc1 ZINC000033737637 384414375 /nfs/dbraw/zinc/41/43/75/384414375.db2.gz DSDMCHWFBNYULG-MRVPVSSYSA-N 0 0 230.296 2.025 50 0 BEAARN Cc1ccnc(NC(=O)NC2(C)CCC2)c1 ZINC000096010661 384420899 /nfs/dbraw/zinc/42/08/99/384420899.db2.gz SNNJUNXXARKDPV-UHFFFAOYSA-N 0 0 219.288 2.454 50 0 BEAARN Cc1ccc(C[C@H]2CCC[N@@H+]2CCC(=O)[O-])cc1 ZINC000237761461 384375984 /nfs/dbraw/zinc/37/59/84/384375984.db2.gz KEOUCKCDJIBMQL-CQSZACIVSA-N 0 0 247.338 2.477 50 0 BEAARN Cn1nnc2cc(Br)c(F)c(F)c21 ZINC000095495619 384378218 /nfs/dbraw/zinc/37/82/18/384378218.db2.gz YHCPPQCLQCMBSO-UHFFFAOYSA-N 0 0 248.030 2.009 50 0 BEAARN Cc1ccc(OCc2ccnc(N(C)C)c2)nc1 ZINC000097139653 384379603 /nfs/dbraw/zinc/37/96/03/384379603.db2.gz NTPCPAOHQNZHDF-UHFFFAOYSA-N 0 0 243.310 2.430 50 0 BEAARN COCCn1c(C)c(C)c2cc(N)ccc21 ZINC000013997723 384381359 /nfs/dbraw/zinc/38/13/59/384381359.db2.gz IPWUCRAYYBVKSW-UHFFFAOYSA-N 0 0 218.300 2.487 50 0 BEAARN C[C@H](Cc1cccs1)C(=O)Nc1cnccn1 ZINC000097146326 384382035 /nfs/dbraw/zinc/38/20/35/384382035.db2.gz PAXGIVNSXIVDAF-SECBINFHSA-N 0 0 247.323 2.355 50 0 BEAARN Fc1ccc([C@@H]2NCCn3cccc32)cc1F ZINC000095618453 384382608 /nfs/dbraw/zinc/38/26/08/384382608.db2.gz MFICLFNZXYXVGW-ZDUSSCGKSA-N 0 0 234.249 2.459 50 0 BEAARN c1cnn(-c2nc3ccccc3s2)c1 ZINC000045236853 384383062 /nfs/dbraw/zinc/38/30/62/384383062.db2.gz LKYHHJYDUIIWKK-UHFFFAOYSA-N 0 0 201.254 2.482 50 0 BEAARN Clc1ncnn2ccc(Br)c12 ZINC000095644306 384386759 /nfs/dbraw/zinc/38/67/59/384386759.db2.gz KJZLTTQOTVMBNH-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN CO[C@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 ZINC000015974658 384447317 /nfs/dbraw/zinc/44/73/17/384447317.db2.gz BDTMQUOWMAHRJI-AWEZNQCLSA-N 0 0 231.295 2.338 50 0 BEAARN COC(=O)Cc1ccc(Br)cc1C ZINC000147752676 384452855 /nfs/dbraw/zinc/45/28/55/384452855.db2.gz FQVAIXVMXMXFKD-UHFFFAOYSA-N 0 0 243.100 2.473 50 0 BEAARN COC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000016124433 384454498 /nfs/dbraw/zinc/45/44/98/384454498.db2.gz LBEKFAUAYVGHFP-UHFFFAOYSA-N 0 0 220.055 2.362 50 0 BEAARN C[C@@H]1N(CCC(N)=O)c2ccccc2C1(C)C ZINC000000052127 384455979 /nfs/dbraw/zinc/45/59/79/384455979.db2.gz KHEWCDYWAJRYGB-JTQLQIEISA-N 0 0 232.327 2.048 50 0 biogenic BEAARN Cc1nnc(NC(=O)[C@@H]2CC=CCC2)s1 ZINC000015324585 384428046 /nfs/dbraw/zinc/42/80/46/384428046.db2.gz OGOZQAKIXDBKNX-MRVPVSSYSA-N 0 0 223.301 2.141 50 0 BEAARN O=c1c2ccccc2occ1[C@H]1NCCS1 ZINC000096170756 384440966 /nfs/dbraw/zinc/44/09/66/384440966.db2.gz WJBVIUUFVGVIRN-LBPRGKRZSA-N 0 0 233.292 2.128 50 0 BEAARN CCN(CCc1ccncc1)c1ccc(N)cn1 ZINC000011568725 384460829 /nfs/dbraw/zinc/46/08/29/384460829.db2.gz KMQVWQVKNBGYRI-UHFFFAOYSA-N 0 0 242.326 2.128 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)s1 ZINC000016603970 384463132 /nfs/dbraw/zinc/46/31/32/384463132.db2.gz CFKIOTBWINBACY-ZJUUUORDSA-N 0 0 239.340 2.354 50 0 BEAARN Nc1nnc(/C=C/c2ccc(Cl)cc2)o1 ZINC000016952647 384475178 /nfs/dbraw/zinc/47/51/78/384475178.db2.gz XXROIJAASWJIDO-ZZXKWVIFSA-N 0 0 221.647 2.476 50 0 BEAARN COCCn1c(=S)[nH]nc1-c1ccoc1C ZINC000016972321 384475525 /nfs/dbraw/zinc/47/55/25/384475525.db2.gz ZLGDONZHFARIOC-UHFFFAOYSA-N 0 0 239.300 2.156 50 0 BEAARN O=Cc1ccc(Br)c(Cl)n1 ZINC000079048175 384483449 /nfs/dbraw/zinc/48/34/49/384483449.db2.gz MUQCOACMBKSMMR-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN c1[nH]nnc1SCCCOc1ccccc1 ZINC000097012167 384497677 /nfs/dbraw/zinc/49/76/77/384497677.db2.gz VBYNPDZMMBHHOS-UHFFFAOYSA-N 0 0 235.312 2.366 50 0 BEAARN CCCc1n[nH]cc1C(=O)OCCSCC ZINC000097010787 384498369 /nfs/dbraw/zinc/49/83/69/384498369.db2.gz DIAKIQWZUZZOEN-UHFFFAOYSA-N 0 0 242.344 2.272 50 0 BEAARN Nc1nccc(C(F)(F)F)c1Br ZINC000098175464 384506010 /nfs/dbraw/zinc/50/60/10/384506010.db2.gz KYUIKQXADNCVHA-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN CC(=O)c1cnn(-c2ccccc2F)c1 ZINC000019087974 384509773 /nfs/dbraw/zinc/50/97/73/384509773.db2.gz RQMCSNHFBPOONB-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN CC(=O)O[C@H](Cn1ccnc1)c1ccccc1 ZINC000000056331 384510817 /nfs/dbraw/zinc/51/08/17/384510817.db2.gz QPBBYIRHBLMQLQ-CYBMUJFWSA-N 0 0 230.267 2.188 50 0 BEAARN CCCCN1C(=O)Nc2ccccc2[S@]1=O ZINC000002184130 384519266 /nfs/dbraw/zinc/51/92/66/384519266.db2.gz XNRAKNFSYCZUCG-INIZCTEOSA-N 0 0 238.312 2.357 50 0 BEAARN O=C([O-])CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000238164222 384526171 /nfs/dbraw/zinc/52/61/71/384526171.db2.gz ZOFSOYDRYXGPOW-CYBMUJFWSA-N 0 0 233.311 2.026 50 0 BEAARN Fc1ccc(CSc2c[nH]nn2)c(F)c1 ZINC000095411480 384526228 /nfs/dbraw/zinc/52/62/28/384526228.db2.gz WUBIWBLNDJIVIK-UHFFFAOYSA-N 0 0 227.239 2.375 50 0 BEAARN CC(=O)c1cc(F)ccc1-n1ccnc1 ZINC000019871201 384545536 /nfs/dbraw/zinc/54/55/36/384545536.db2.gz BQFNIFXLMNWHDH-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN Cn1c(=O)ccc2c(Br)cccc21 ZINC000097758451 384553751 /nfs/dbraw/zinc/55/37/51/384553751.db2.gz PQYPEEUJJRYGPH-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN COC(=O)[C@H]1CCCCN1CCc1ccccc1 ZINC000048232251 384537576 /nfs/dbraw/zinc/53/75/76/384537576.db2.gz QYYRTPZVRWROOC-CQSZACIVSA-N 0 0 247.338 2.257 50 0 BEAARN FC(F)(F)CNc1ccc2c(c1)OCO2 ZINC000020056410 384570694 /nfs/dbraw/zinc/57/06/94/384570694.db2.gz VLRYFHCGVSGKRD-UHFFFAOYSA-N 0 0 219.162 2.390 50 0 BEAARN CC[C@@H](CC(=O)OC)c1cccc(O)c1 ZINC000098213344 384605246 /nfs/dbraw/zinc/60/52/46/384605246.db2.gz APYKJHDCYFIQJM-VIFPVBQESA-N 0 0 208.257 2.449 50 0 BEAARN Cc1ccc(C(C)C)c(O[C@H](C)C(N)=O)c1 ZINC000033433533 384606576 /nfs/dbraw/zinc/60/65/76/384606576.db2.gz MRCQWUYCKMYELL-SNVBAGLBSA-N 0 0 221.300 2.371 50 0 BEAARN O=C([O-])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000020260021 384607447 /nfs/dbraw/zinc/60/74/47/384607447.db2.gz GVMWYGJXPBMXEE-UHFFFAOYSA-N 0 0 233.311 2.373 50 0 BEAARN O=C1CCC[C@H]2c3cc(F)ccc3N[C@H]12 ZINC000100021637 384608700 /nfs/dbraw/zinc/60/87/00/384608700.db2.gz IHIIJLANCVFABM-UFBFGSQYSA-N 0 0 205.232 2.456 50 0 BEAARN CN(C)c1ccc(C2CC(=O)CC(=O)C2)cc1 ZINC000100014400 384609065 /nfs/dbraw/zinc/60/90/65/384609065.db2.gz WANNTJAQMZXABU-UHFFFAOYSA-N 0 0 231.295 2.158 50 0 BEAARN O=c1cc(-c2ccc3ccccc3c2)[nH][nH]1 ZINC000100028479 384610490 /nfs/dbraw/zinc/61/04/90/384610490.db2.gz AYGSETQECLMTDQ-UHFFFAOYSA-N 0 0 210.236 2.064 50 0 BEAARN O=Cc1ccc(OCC2CCOCC2)cc1 ZINC000020357631 384613945 /nfs/dbraw/zinc/61/39/45/384613945.db2.gz MUPNXAROCAYRCG-UHFFFAOYSA-N 0 0 220.268 2.305 50 0 BEAARN CC(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000081458936 384617956 /nfs/dbraw/zinc/61/79/56/384617956.db2.gz HLRHQQAQHBXWCG-UHFFFAOYSA-N 0 0 219.162 2.369 50 0 BEAARN FC(F)C(F)(F)COc1cncc(Cl)n1 ZINC000020518147 384620027 /nfs/dbraw/zinc/62/00/27/384620027.db2.gz FFSYCDLXLWQBFE-UHFFFAOYSA-N 0 0 244.575 2.409 50 0 BEAARN Cc1ncc(Br)c(C2CC2)n1 ZINC000082326432 384670168 /nfs/dbraw/zinc/67/01/68/384670168.db2.gz AOYJYXDHLYWUTG-UHFFFAOYSA-N 0 0 213.078 2.425 50 0 BEAARN O=C1NC[C@@H](c2ccc(Br)cc2)O1 ZINC000041286222 384635238 /nfs/dbraw/zinc/63/52/38/384635238.db2.gz FWGFASQLOPSRHI-QMMMGPOBSA-N 0 0 242.072 2.230 50 0 BEAARN CNc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000050724813 384641713 /nfs/dbraw/zinc/64/17/13/384641713.db2.gz WVIKEVKIWDCQIW-UHFFFAOYSA-N 0 0 206.289 2.257 50 0 BEAARN COC(=O)c1ccc(C=O)c(Br)c1 ZINC000082046660 384643642 /nfs/dbraw/zinc/64/36/42/384643642.db2.gz OILDTPUIIUEPFL-UHFFFAOYSA-N 0 0 243.056 2.048 50 0 BEAARN CCCCN(CC)S(=O)(=O)c1ccccc1 ZINC000002743481 384655557 /nfs/dbraw/zinc/65/55/57/384655557.db2.gz GIRKPTKJCDEFLW-UHFFFAOYSA-N 0 0 241.356 2.497 50 0 BEAARN O=C(n1ccnc1)C1(c2ccccc2)CC1 ZINC000082265146 384655964 /nfs/dbraw/zinc/65/59/64/384655964.db2.gz OEJXLIQUENOXQZ-UHFFFAOYSA-N 0 0 212.252 2.255 50 0 BEAARN CCN(C)c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000078601339 384662695 /nfs/dbraw/zinc/66/26/95/384662695.db2.gz LHQXVAHUQABLAS-ZDUSSCGKSA-N 0 0 248.326 2.260 50 0 BEAARN Cc1cnccc1NS(=O)(=O)c1ccccc1 ZINC000075496556 384688129 /nfs/dbraw/zinc/68/81/29/384688129.db2.gz RQMLOMVRIBFEJS-UHFFFAOYSA-N 0 0 248.307 2.191 50 0 BEAARN Nc1cnc(NC2CC2)c(Br)c1 ZINC000082541018 384688739 /nfs/dbraw/zinc/68/87/39/384688739.db2.gz FQXGHUMKVVFPED-UHFFFAOYSA-N 0 0 228.093 2.001 50 0 BEAARN CCOc1ccc(CN[C@H](C)c2nc[nH]n2)cc1 ZINC000095455312 384692722 /nfs/dbraw/zinc/69/27/22/384692722.db2.gz CPKYWUCPKARDLI-SNVBAGLBSA-N 0 0 246.314 2.054 50 0 BEAARN CC(C)(C)OC(=O)c1ccccc1CO ZINC000102060911 384698935 /nfs/dbraw/zinc/69/89/35/384698935.db2.gz YJBSXHLWKSRXHH-UHFFFAOYSA-N 0 0 208.257 2.134 50 0 BEAARN Cc1cnc(NC(=O)[C@H]2CC2(F)F)s1 ZINC000294344500 384699168 /nfs/dbraw/zinc/69/91/68/384699168.db2.gz GCNCPXZTOQGWNB-RXMQYKEDSA-N 0 0 218.228 2.045 50 0 BEAARN C[C@@H]1CCC[C@H](C(=O)OCc2cnn(C)c2)C1 ZINC000076871827 384700681 /nfs/dbraw/zinc/70/06/81/384700681.db2.gz HSFNQUKCFDYQPY-PWSUYJOCSA-N 0 0 236.315 2.290 50 0 BEAARN CCN(C=C1SC(=O)NC1=O)c1ccccc1 ZINC000102270991 384703964 /nfs/dbraw/zinc/70/39/64/384703964.db2.gz CCSASMRKDBAOKK-CSKARUKUSA-N 0 0 248.307 2.337 50 0 BEAARN Cc1ccc(O[C@@H]2CCN(C)C2=O)c(Cl)c1 ZINC000077240774 384704105 /nfs/dbraw/zinc/70/41/05/384704105.db2.gz XWBAMXLGROIFKD-LLVKDONJSA-N 0 0 239.702 2.258 50 0 BEAARN O=C(/C=C/c1cccs1)Nc1ncccn1 ZINC000000460513 384708043 /nfs/dbraw/zinc/70/80/43/384708043.db2.gz YHXZJZATPFHLGR-SNAWJCMRSA-N 0 0 231.280 2.190 50 0 BEAARN COc1nccc(C)c1Br ZINC000021981986 384712289 /nfs/dbraw/zinc/71/22/89/384712289.db2.gz UNWSCHYDURCYOR-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN Cc1cc(I)cnc1F ZINC000021981956 384713796 /nfs/dbraw/zinc/71/37/96/384713796.db2.gz INXPRWIQPCLWQD-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 BEAARN Cc1ccc(F)cc1NC(=O)CCn1ccnc1 ZINC000072280516 384715401 /nfs/dbraw/zinc/71/54/01/384715401.db2.gz KMUGXPAWLKOCDD-UHFFFAOYSA-N 0 0 247.273 2.359 50 0 BEAARN COC(=O)c1ccc2[nH]cc(C(C)=O)c2c1 ZINC000021994805 384719446 /nfs/dbraw/zinc/71/94/46/384719446.db2.gz LXTFSAFFYUCWCX-UHFFFAOYSA-N 0 0 217.224 2.157 50 0 BEAARN Fc1ccc2[nH]c(-c3ccon3)nc2c1 ZINC000082821796 384720118 /nfs/dbraw/zinc/72/01/18/384720118.db2.gz IVNLEWGHTODPEL-UHFFFAOYSA-N 0 0 203.176 2.357 50 0 BEAARN COC(=O)C[C@@H](C)OC(=O)c1ccc(C)s1 ZINC000097376729 384777388 /nfs/dbraw/zinc/77/73/88/384777388.db2.gz NTNAEJUKJYJITL-SSDOTTSWSA-N 0 0 242.296 2.165 50 0 BEAARN CC(C)(C)OC(=O)N[C@@]1(C)CC[C@@H](O)CC1 ZINC000103535050 384779238 /nfs/dbraw/zinc/77/92/38/384779238.db2.gz JJAVBBNDEUQQSR-OTCDBFHCSA-N 0 0 229.320 2.205 50 0 BEAARN Cc1ncnc(C2CC2)c1Br ZINC000514251834 384739614 /nfs/dbraw/zinc/73/96/14/384739614.db2.gz YZUYGSULFGKNJB-UHFFFAOYSA-N 0 0 213.078 2.425 50 0 BEAARN CCN(CC)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000004866467 259657636 /nfs/dbraw/zinc/65/76/36/259657636.db2.gz GTVUMRKCLOXJLX-QWRGUYRKSA-N 0 0 212.337 2.426 50 0 BEAARN CONC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000071915877 384749555 /nfs/dbraw/zinc/74/95/55/384749555.db2.gz RWRLPWVOSOCGRT-QWHCGFSZSA-N 0 0 248.326 2.258 50 0 BEAARN C[C@H](NC(=O)c1cnccn1)c1cccs1 ZINC000022976238 384779823 /nfs/dbraw/zinc/77/98/23/384779823.db2.gz CRCMKMIFFKXNJF-QMMMGPOBSA-N 0 0 233.296 2.029 50 0 BEAARN CC(C)C[C@@]1(C)CC(=O)N(CC2CC2)C1=O ZINC000084510045 384758661 /nfs/dbraw/zinc/75/86/61/384758661.db2.gz AMNFZYFLVQVRFP-ZDUSSCGKSA-N 0 0 223.316 2.208 50 0 BEAARN Clc1ccc(-c2nc(-c3cnccn3)no2)o1 ZINC000084509785 384758889 /nfs/dbraw/zinc/75/88/89/384758889.db2.gz VBIFENMIMPVDOP-UHFFFAOYSA-N 0 0 248.629 2.440 50 0 BEAARN C1CC(c2nnc([C@H]3CCCCN3)o2)C1 ZINC000083345153 384762503 /nfs/dbraw/zinc/76/25/03/384762503.db2.gz BNJKGCCCACWOQY-SECBINFHSA-N 0 0 207.277 2.152 50 0 BEAARN CCOc1ccccc1CNC(=O)CC ZINC000053163100 384766768 /nfs/dbraw/zinc/76/67/68/384766768.db2.gz IVAWCJGBYZGNPK-UHFFFAOYSA-N 0 0 207.273 2.112 50 0 BEAARN Fc1cccc(SCCn2cncn2)c1 ZINC000084843350 384766787 /nfs/dbraw/zinc/76/67/87/384766787.db2.gz AEKRQJXWLHAKJQ-UHFFFAOYSA-N 0 0 223.276 2.210 50 0 BEAARN COC[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000053173336 384770142 /nfs/dbraw/zinc/77/01/42/384770142.db2.gz LGHMBXWUNLZKNS-NSHDSACASA-N 0 0 214.692 2.280 50 0 BEAARN Cc1nc(CNc2ccc(F)c(C)c2)no1 ZINC000086206120 384772086 /nfs/dbraw/zinc/77/20/86/384772086.db2.gz QJIVBFKZHPTMGK-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Cc1nc(C(F)(F)F)ccc1C(=O)NC1CC1 ZINC000024564774 384822401 /nfs/dbraw/zinc/82/24/01/384822401.db2.gz GQUNBVYODCXTDY-UHFFFAOYSA-N 0 0 244.216 2.301 50 0 BEAARN O=C([O-])[C@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000083988117 384824523 /nfs/dbraw/zinc/82/45/23/384824523.db2.gz DCLIKAUTNCNGEL-WDEREUQCSA-N 0 0 211.305 2.162 50 0 BEAARN CCn1nc(C)nc1-c1c(F)cccc1OC ZINC000426489907 384834366 /nfs/dbraw/zinc/83/43/66/384834366.db2.gz MGKZSEMVESKOBA-UHFFFAOYSA-N 0 0 235.262 2.421 50 0 BEAARN Cc1cc(N)nn1-c1ccc(Cl)cc1 ZINC000054404724 384835555 /nfs/dbraw/zinc/83/55/55/384835555.db2.gz MXMIJABWYVYHOF-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN C[C@@H]1Oc2ccc(Br)cc2NC1=O ZINC000022995840 384784447 /nfs/dbraw/zinc/78/44/47/384784447.db2.gz NUXLDNTZFXDNBA-YFKPBYRVSA-N 0 0 242.072 2.169 50 0 BEAARN CCCCNC(=O)c1ccc(F)c(F)c1 ZINC000023119811 384787246 /nfs/dbraw/zinc/78/72/46/384787246.db2.gz FFRNJJOBRPQELT-UHFFFAOYSA-N 0 0 213.227 2.495 50 0 BEAARN O=C(OCC(F)(F)C(F)F)c1ccncc1 ZINC000089884920 384792060 /nfs/dbraw/zinc/79/20/60/384792060.db2.gz FXRMMFGZZUGDGG-UHFFFAOYSA-N 0 0 237.152 2.139 50 0 BEAARN Nc1ccc([NH+]2CCCCCC2)c(C(=O)[O-])c1 ZINC000053992808 384815109 /nfs/dbraw/zinc/81/51/09/384815109.db2.gz MFVAUMXIVHUYOK-UHFFFAOYSA-N 0 0 234.299 2.347 50 0 BEAARN CS(=O)(=O)c1cccc2sc(Cl)nc21 ZINC000026424188 384874375 /nfs/dbraw/zinc/87/43/75/384874375.db2.gz GIRDTLZWRYCEMO-UHFFFAOYSA-N 0 0 247.728 2.353 50 0 BEAARN Cc1ccc(NCC(=O)N2CCCCC2)cc1 ZINC000055378903 384882849 /nfs/dbraw/zinc/88/28/49/384882849.db2.gz WJKDNIRTICZYLU-UHFFFAOYSA-N 0 0 232.327 2.419 50 0 BEAARN CC(C)(C)OC(=O)n1ncc2c1cccc2N ZINC000026894788 384886185 /nfs/dbraw/zinc/88/61/85/384886185.db2.gz LBOHJOLQKZNKFB-UHFFFAOYSA-N 0 0 233.271 2.402 50 0 BEAARN CSCC[C@H](N)c1nc(-c2ccco2)no1 ZINC000054444957 384838843 /nfs/dbraw/zinc/83/88/43/384838843.db2.gz RZHBWVJCJXDDOZ-ZETCQYMHSA-N 0 0 239.300 2.083 50 0 BEAARN Cc1nc(-c2nnc(-c3ccccc3)o2)c(N)o1 ZINC000072238762 384844754 /nfs/dbraw/zinc/84/47/54/384844754.db2.gz NFCTVQUCZAUWIH-UHFFFAOYSA-N 0 0 242.238 2.282 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cn1 ZINC000032787766 384845332 /nfs/dbraw/zinc/84/53/32/384845332.db2.gz IDDFUWPPEVJXIQ-GXFFZTMASA-N 0 0 247.342 2.436 50 0 BEAARN CO[C@]1(C)C[C@H](NC(=O)c2cccnc2)C1(C)C ZINC000084668203 384888797 /nfs/dbraw/zinc/88/87/97/384888797.db2.gz QSQZVXJSUUJAJQ-SMDDNHRTSA-N 0 0 248.326 2.015 50 0 BEAARN CCCCOC(OCCCC)N(C)C ZINC000025720360 384857008 /nfs/dbraw/zinc/85/70/08/384857008.db2.gz GSFFXKGTGPMVLM-UHFFFAOYSA-N 0 0 203.326 2.465 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000025713168 384857299 /nfs/dbraw/zinc/85/72/99/384857299.db2.gz YSCCLECAUBVEPF-NXEZZACHSA-N 0 0 248.326 2.335 50 0 BEAARN CNc1c(N)cc(Br)c(F)c1F ZINC000085477285 384949401 /nfs/dbraw/zinc/94/94/01/384949401.db2.gz MDQHTXCGSHNVFE-UHFFFAOYSA-N 0 0 237.047 2.351 50 0 BEAARN C(C1CCCC1)N1CCn2c(nnc2C2CC2)C1 ZINC000072268388 384898309 /nfs/dbraw/zinc/89/83/09/384898309.db2.gz BSSIANSSDLAHSD-UHFFFAOYSA-N 0 0 246.358 2.161 50 0 BEAARN CCOc1ccc(C(=O)O[C@@H]2CCOC2)cc1 ZINC000072270454 384902501 /nfs/dbraw/zinc/90/25/01/384902501.db2.gz DKBBAOXUPWDUJA-GFCCVEGCSA-N 0 0 236.267 2.031 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCc1ccccc1F ZINC000021269941 384907455 /nfs/dbraw/zinc/90/74/55/384907455.db2.gz ZSUNDFGRFWRAHX-PSASIEDQSA-N 0 0 207.248 2.098 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)nc1 ZINC000095448442 384911255 /nfs/dbraw/zinc/91/12/55/384911255.db2.gz ZTECGFYZKXSCBM-JQWIXIFHSA-N 0 0 246.310 2.334 50 0 BEAARN Cc1nc(-c2ccnc(Cl)c2)[nH]c(=O)c1C ZINC000057218706 384930404 /nfs/dbraw/zinc/93/04/04/384930404.db2.gz PAIRXQOMYHXSSQ-UHFFFAOYSA-N 0 0 235.674 2.102 50 0 BEAARN O=C1COc2c(Cl)cc(Cl)cc2N1 ZINC000057340668 384940034 /nfs/dbraw/zinc/94/00/34/384940034.db2.gz NHULZNDEJMIUNY-UHFFFAOYSA-N 0 0 218.039 2.324 50 0 BEAARN O=Cc1ccc(COCC(F)(F)F)o1 ZINC000085391965 384943004 /nfs/dbraw/zinc/94/30/04/384943004.db2.gz DNULHWHPWNJXBI-UHFFFAOYSA-N 0 0 208.135 2.171 50 0 BEAARN Cc1csc(COC(=O)c2ccncc2)n1 ZINC000096442925 384944860 /nfs/dbraw/zinc/94/48/60/384944860.db2.gz VJMXEFZLPDYQJD-UHFFFAOYSA-N 0 0 234.280 2.204 50 0 BEAARN O=C([O-])CSC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000107044978 384945940 /nfs/dbraw/zinc/94/59/40/384945940.db2.gz ILNNSEOHNOANCC-GHMZBOCLSA-N 0 0 243.372 2.069 50 0 BEAARN C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCCC1 ZINC000072025388 384972312 /nfs/dbraw/zinc/97/23/12/384972312.db2.gz XSTGZKPQSZFJFN-NSHDSACASA-N 0 0 248.326 2.129 50 0 BEAARN O=C(C[C@@H]1OC(=O)c2ccccc21)C1CC1 ZINC000005685440 384978543 /nfs/dbraw/zinc/97/85/43/384978543.db2.gz XJUVIDFXJHCFCG-LBPRGKRZSA-N 0 0 216.236 2.267 50 0 BEAARN CCc1cccc(OCC(=O)N2CCCC2)c1 ZINC000058080539 384984981 /nfs/dbraw/zinc/98/49/81/384984981.db2.gz VZMUESYDIUNXFS-UHFFFAOYSA-N 0 0 233.311 2.250 50 0 BEAARN CCCc1nc(CN2CCOC[C@H]2C)cs1 ZINC000058200945 384988650 /nfs/dbraw/zinc/98/86/50/384988650.db2.gz UBMWJTVEHFTXGW-SNVBAGLBSA-N 0 0 240.372 2.316 50 0 BEAARN CCCc1nc(CN2CCOC[C@@H]2C)cs1 ZINC000058200944 384989579 /nfs/dbraw/zinc/98/95/79/384989579.db2.gz UBMWJTVEHFTXGW-JTQLQIEISA-N 0 0 240.372 2.316 50 0 BEAARN CCS(=O)(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000070248354 384989987 /nfs/dbraw/zinc/98/99/87/384989987.db2.gz XYDXIWJHXDLXRO-VIFPVBQESA-N 0 0 245.319 2.168 50 0 BEAARN C[C@@H](NC(=O)c1ccc(F)cc1)C1CC1 ZINC000001232024 384991681 /nfs/dbraw/zinc/99/16/81/384991681.db2.gz ICGXOKGNLHRRHG-MRVPVSSYSA-N 0 0 207.248 2.354 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1ccccc1Cl ZINC000058247429 384991824 /nfs/dbraw/zinc/99/18/24/384991824.db2.gz YEDHCKIBGXOUQW-MRVPVSSYSA-N 0 0 242.706 2.496 50 0 BEAARN Cc1c(C(=O)N(C)[C@H](C)C(C)(C)C)cnn1C ZINC000058291333 384995372 /nfs/dbraw/zinc/99/53/72/384995372.db2.gz ITKSHSBHQURTBY-SNVBAGLBSA-N 0 0 237.347 2.235 50 0 BEAARN COC[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1 ZINC000058365036 384998209 /nfs/dbraw/zinc/99/82/09/384998209.db2.gz HXSDGXAMUPIVHZ-WXHSDQCUSA-N 0 0 233.311 2.146 50 0 BEAARN C[C@@H](CCc1ccco1)NC(=O)N1CCCC1 ZINC000058692803 385020881 /nfs/dbraw/zinc/02/08/81/385020881.db2.gz VDOAMEUGEABSSQ-NSHDSACASA-N 0 0 236.315 2.406 50 0 BEAARN O=c1ccc(Br)cn1C(F)F ZINC000059581637 385051841 /nfs/dbraw/zinc/05/18/41/385051841.db2.gz KMAQQDDPRGOPRF-UHFFFAOYSA-N 0 0 224.004 2.006 50 0 BEAARN Cc1cnc(CN2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000072299799 385054998 /nfs/dbraw/zinc/05/49/98/385054998.db2.gz WNRGMAOMXPTFAI-NSHDSACASA-N 0 0 246.314 2.086 50 0 BEAARN COc1ncccc1NC(=O)[C@@H](C)n1cccc1 ZINC000136388303 385066496 /nfs/dbraw/zinc/06/64/96/385066496.db2.gz JQQVFJNSBUYNSK-SNVBAGLBSA-N 0 0 245.282 2.091 50 0 BEAARN O=C([O-])[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000062133733 385066588 /nfs/dbraw/zinc/06/65/88/385066588.db2.gz GLNYANBVNHNEMU-CYBMUJFWSA-N 0 0 233.311 2.026 50 0 BEAARN CC(C)(C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000062131052 385070180 /nfs/dbraw/zinc/07/01/80/385070180.db2.gz QGAQUZNWPMTOQN-UHFFFAOYSA-N 0 0 249.358 2.168 50 0 BEAARN CSCc1cc(C(=O)N(C)C)ccc1F ZINC000335718870 385072535 /nfs/dbraw/zinc/07/25/35/385072535.db2.gz XPFDEAIOMYOYTE-UHFFFAOYSA-N 0 0 227.304 2.391 50 0 BEAARN O=C(Nc1nnc2ccccn21)C1CCCCC1 ZINC000030712737 385025381 /nfs/dbraw/zinc/02/53/81/385025381.db2.gz ZQZYYMKWIQADLC-UHFFFAOYSA-N 0 0 244.298 2.248 50 0 BEAARN O=C(Nc1nccs1)c1cccc2cn[nH]c21 ZINC000030710756 385026190 /nfs/dbraw/zinc/02/61/90/385026190.db2.gz HRUMGEKHNWVIRI-UHFFFAOYSA-N 0 0 244.279 2.272 50 0 BEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)[C@H]2CC=CC[C@H]12 ZINC000018037917 385031187 /nfs/dbraw/zinc/03/11/87/385031187.db2.gz AWKYKXCWTDDILL-FIQHERPVSA-N 0 0 216.280 2.303 50 0 BEAARN CC(=O)c1cc(Br)ncc1F ZINC000059128839 385039117 /nfs/dbraw/zinc/03/91/17/385039117.db2.gz NLQQIWGMFAJKIH-UHFFFAOYSA-N 0 0 218.025 2.186 50 0 BEAARN CC(C)c1nsc(NC[C@@H]2CCCO2)n1 ZINC000072295189 385040387 /nfs/dbraw/zinc/04/03/87/385040387.db2.gz DPOQHJSFGNRVME-QMMMGPOBSA-N 0 0 227.333 2.252 50 0 BEAARN Cc1nnc2n1NC(c1ccccc1)=CS2 ZINC000000502206 385110545 /nfs/dbraw/zinc/11/05/45/385110545.db2.gz QOPVQHXYUKCHCT-UHFFFAOYSA-N 0 0 230.296 2.234 50 0 BEAARN CCCCCC(=O)NOCc1cc(C)on1 ZINC000096412927 385126924 /nfs/dbraw/zinc/12/69/24/385126924.db2.gz PISQRPLVTOLIAP-UHFFFAOYSA-N 0 0 226.276 2.111 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2cc(C)on2)o1 ZINC000048278727 385095628 /nfs/dbraw/zinc/09/56/28/385095628.db2.gz IZPNRBBBLQGVBD-VIFPVBQESA-N 0 0 234.255 2.375 50 0 BEAARN FC(F)COCCn1cnc2ccccc21 ZINC000189154761 385095552 /nfs/dbraw/zinc/09/55/52/385095552.db2.gz BHXMVOUWGSHCFF-UHFFFAOYSA-N 0 0 226.226 2.318 50 0 BEAARN CCS(=O)(=O)c1ccccc1Cl ZINC000060916659 385101294 /nfs/dbraw/zinc/10/12/94/385101294.db2.gz YTYIZQUDGMUHRY-UHFFFAOYSA-N 0 0 204.678 2.134 50 0 BEAARN CCc1[nH]nc(NC(=O)CCCCOC)c1C ZINC000096462541 385181877 /nfs/dbraw/zinc/18/18/77/385181877.db2.gz TWTDUBMRHLHZDS-UHFFFAOYSA-N 0 0 239.319 2.036 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)c2ccccn2)n1C ZINC000032836665 385186405 /nfs/dbraw/zinc/18/64/05/385186405.db2.gz NSTYZLWLSWLSPO-LLVKDONJSA-N 0 0 243.310 2.220 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000005576700 385188589 /nfs/dbraw/zinc/18/85/89/385188589.db2.gz ANBDXPWKDSKYHR-GZMMTYOYSA-N 0 0 233.267 2.068 50 0 BEAARN Cc1ccc(Cl)c(NC(=O)c2cn[nH]n2)c1 ZINC000206653417 385189035 /nfs/dbraw/zinc/18/90/35/385189035.db2.gz SRFIOKNJNNXJNA-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN O=C([O-])C[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000032918861 385190835 /nfs/dbraw/zinc/19/08/35/385190835.db2.gz RFTKGUMQAKDOFH-GFCCVEGCSA-N 0 0 234.299 2.083 50 0 BEAARN Cc1nc(CN(CCCCO)C2CC2)oc1C ZINC000096421149 385147721 /nfs/dbraw/zinc/14/77/21/385147721.db2.gz JOILRLCNWBCLSU-UHFFFAOYSA-N 0 0 238.331 2.028 50 0 BEAARN C[C@]1(CO)CCC[C@H]1Nc1cccc(F)n1 ZINC000096427228 385165697 /nfs/dbraw/zinc/16/56/97/385165697.db2.gz RILYTQYABVNSCC-BXKDBHETSA-N 0 0 224.279 2.184 50 0 BEAARN CC(C)[C@H](CCO)Nc1cccc(F)n1 ZINC000096427259 385165717 /nfs/dbraw/zinc/16/57/17/385165717.db2.gz MZIJUPQDGPPHES-VIFPVBQESA-N 0 0 212.268 2.040 50 0 BEAARN C[C@@H](CO)SCc1noc2c1CCCC2 ZINC000096430340 385167155 /nfs/dbraw/zinc/16/71/55/385167155.db2.gz ROSITPFIOWIQCW-QMMMGPOBSA-N 0 0 227.329 2.167 50 0 BEAARN FC(F)(F)c1ccc(-c2cn[nH]c2)nc1 ZINC000032547715 385170200 /nfs/dbraw/zinc/17/02/00/385170200.db2.gz AADYVHMOFPFEOH-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN CC(C)=CC(=O)NCCCNc1ccc(C)cn1 ZINC000096449250 385171008 /nfs/dbraw/zinc/17/10/08/385171008.db2.gz ZHJMBNLVWKGPQC-UHFFFAOYSA-N 0 0 247.342 2.274 50 0 BEAARN CCCCNc1cccc(C)c1C(N)=O ZINC000096453961 385176018 /nfs/dbraw/zinc/17/60/18/385176018.db2.gz WNKJRUCYGMSDJP-UHFFFAOYSA-N 0 0 206.289 2.306 50 0 BEAARN CSC[C@](C)(O)CNc1ccc(Cl)cn1 ZINC000096453687 385176076 /nfs/dbraw/zinc/17/60/76/385176076.db2.gz HMISSGGCCKLHCV-SNVBAGLBSA-N 0 0 246.763 2.261 50 0 BEAARN CC1(C)OC(=O)N(Cc2ccccc2)[C@]1(C)O ZINC000003117608 385201310 /nfs/dbraw/zinc/20/13/10/385201310.db2.gz GIGVRJNVBNPLAD-CYBMUJFWSA-N 0 0 235.283 2.126 50 0 BEAARN CNc1cc(-c2ccccc2OC)[nH]n1 ZINC000062667585 385180663 /nfs/dbraw/zinc/18/06/63/385180663.db2.gz WREHLNZJQJEIGY-UHFFFAOYSA-N 0 0 203.245 2.127 50 0 BEAARN O=C(c1cscn1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089764751 385209122 /nfs/dbraw/zinc/20/91/22/385209122.db2.gz XBUZOZRFQBSRQR-AOOOYVTPSA-N 0 0 236.340 2.405 50 0 BEAARN C[C@@H](O)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000189603765 385219628 /nfs/dbraw/zinc/21/96/28/385219628.db2.gz FPBSDXAIMCNRSK-RKDXNWHRSA-N 0 0 249.335 2.459 50 0 BEAARN Cc1noc(NCc2cc(F)ccc2F)n1 ZINC000096485560 385223464 /nfs/dbraw/zinc/22/34/64/385223464.db2.gz XNSZOICLIUTMTF-UHFFFAOYSA-N 0 0 225.198 2.268 50 0 BEAARN CCN(C)c1ccccc1NCc1ncc[nH]1 ZINC000096486316 385223597 /nfs/dbraw/zinc/22/35/97/385223597.db2.gz MLRCYXMDKCQTSG-UHFFFAOYSA-N 0 0 230.315 2.478 50 0 BEAARN CN(C[C@@H]1CCOC1)OCc1ccccc1 ZINC000096485592 385224086 /nfs/dbraw/zinc/22/40/86/385224086.db2.gz LCGWSPCTHIRVJD-ZDUSSCGKSA-N 0 0 221.300 2.087 50 0 BEAARN Cc1ccc(O[C@@H](C)C(=O)NC2CC2)cc1C ZINC000008050223 385232470 /nfs/dbraw/zinc/23/24/70/385232470.db2.gz YLPFMMXRIGWZJD-NSHDSACASA-N 0 0 233.311 2.349 50 0 BEAARN CC(=O)NCCCSCc1ncccc1C ZINC000096494687 385234844 /nfs/dbraw/zinc/23/48/44/385234844.db2.gz BVOVCMXFYMQYER-UHFFFAOYSA-N 0 0 238.356 2.149 50 0 BEAARN CCc1ccccc1OCC(=O)NCC(C)C ZINC000000131473 385249614 /nfs/dbraw/zinc/24/96/14/385249614.db2.gz AIZZXBZTLASSTG-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN c1cnc2nc(-c3nnc(C4CC4)[nH]3)ccc2c1 ZINC000065404201 385305783 /nfs/dbraw/zinc/30/57/83/385305783.db2.gz OQJZKMOJJVTEAV-UHFFFAOYSA-N 0 0 237.266 2.292 50 0 BEAARN Cn1nccc1-c1nc(Cc2cccs2)no1 ZINC000065432786 385308168 /nfs/dbraw/zinc/30/81/68/385308168.db2.gz AODYDCZLUNDKMD-UHFFFAOYSA-N 0 0 246.295 2.122 50 0 BEAARN CCCC1(c2nc3c([nH]2)C(=O)NCCC3)CCC1 ZINC000065434886 385311767 /nfs/dbraw/zinc/31/17/67/385311767.db2.gz BGANBBQMIQEWSC-UHFFFAOYSA-N 0 0 247.342 2.308 50 0 BEAARN CCCC(C)(C)NC(=O)c1cccc(C(N)=O)c1 ZINC000050808319 385321099 /nfs/dbraw/zinc/32/10/99/385321099.db2.gz WMBRXUQNRWWXOJ-UHFFFAOYSA-N 0 0 248.326 2.094 50 0 BEAARN O=C(/C=C/c1ccccc1)Nc1nncs1 ZINC000000146176 385260786 /nfs/dbraw/zinc/26/07/86/385260786.db2.gz PORLVXMAXNYUJD-VOTSOKGWSA-N 0 0 231.280 2.190 50 0 BEAARN O=C([O-])C1CC[NH+](CC2CCCCC2)CC1 ZINC000008727503 385262701 /nfs/dbraw/zinc/26/27/01/385262701.db2.gz JISGTMSKIUAWIR-UHFFFAOYSA-N 0 0 225.332 2.363 50 0 BEAARN CC(C)CNC(=O)NCc1cccs1 ZINC000048396686 385264482 /nfs/dbraw/zinc/26/44/82/385264482.db2.gz JWZCOCCUUQWXFK-UHFFFAOYSA-N 0 0 212.318 2.203 50 0 BEAARN O=C([C@H]1CC=CCC1)N1CCC=C(F)C1 ZINC000272102061 385271326 /nfs/dbraw/zinc/27/13/26/385271326.db2.gz NADIVOVWCRXRCM-JTQLQIEISA-N 0 0 209.264 2.428 50 0 BEAARN CC(=O)N1CCc2ccc(Br)cc21 ZINC000034172660 385273217 /nfs/dbraw/zinc/27/32/17/385273217.db2.gz BDKDQGYCFLQERH-UHFFFAOYSA-N 0 0 240.100 2.358 50 0 BEAARN O=C(/C=C\c1ccccc1)N1CCCC1 ZINC000013397394 385276103 /nfs/dbraw/zinc/27/61/03/385276103.db2.gz JSIGICUAXLIURX-HJWRWDBZSA-N 0 0 201.269 2.322 50 0 endogenous,in-man BEAARN Nc1noc2c1cccc2C(F)(F)F ZINC000034450962 385281406 /nfs/dbraw/zinc/28/14/06/385281406.db2.gz PIZYYENSQAOYKU-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN O=C1Nc2ccccc2/C1=C/NCc1ccco1 ZINC000016675895 385281647 /nfs/dbraw/zinc/28/16/47/385281647.db2.gz QOMDSXJWFINYSG-XFXZXTDPSA-N 0 0 240.262 2.362 50 0 BEAARN COc1ncccc1NC(=O)NCC1CCC1 ZINC000048415081 385289666 /nfs/dbraw/zinc/28/96/66/385289666.db2.gz UOVINXFEVYIQOI-UHFFFAOYSA-N 0 0 235.287 2.012 50 0 BEAARN COC(=O)c1cc(-c2ccccc2C)on1 ZINC000167095353 385298050 /nfs/dbraw/zinc/29/80/50/385298050.db2.gz NJJGSQUNSSLUFS-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN O=C(c1ccc(O)cc1F)N1CCCCC1 ZINC000154616305 385341145 /nfs/dbraw/zinc/34/11/45/385341145.db2.gz HEPXBXMQOMURFP-UHFFFAOYSA-N 0 0 223.247 2.157 50 0 BEAARN c1ncn(CCN2CCCCc3ccccc32)n1 ZINC000098018772 385358742 /nfs/dbraw/zinc/35/87/42/385358742.db2.gz DQXRSNMRWPMDPY-UHFFFAOYSA-N 0 0 242.326 2.121 50 0 BEAARN Cc1cc(C(=O)Nc2nncs2)oc1C ZINC000004867626 385373435 /nfs/dbraw/zinc/37/34/35/385373435.db2.gz ZGEPDJKLDAAJES-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN COc1ccc(CN(C)c2ccn(C)n2)cc1F ZINC000274815673 385410058 /nfs/dbraw/zinc/41/00/58/385410058.db2.gz FNNQWRIXEASWKB-UHFFFAOYSA-N 0 0 249.289 2.204 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(Cl)cn2)no1 ZINC000013746891 385417317 /nfs/dbraw/zinc/41/73/17/385417317.db2.gz LSMWBKDRQVVRKS-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN O=Cc1ccncc1N1CCC(F)(F)CC1 ZINC000169725591 385418315 /nfs/dbraw/zinc/41/83/15/385418315.db2.gz QFVVLCXKYPAZQC-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN O=Cc1cc(F)ccc1N1CCSC1 ZINC000169725259 385418694 /nfs/dbraw/zinc/41/86/94/385418694.db2.gz SIFDPKPYHMJREB-UHFFFAOYSA-N 0 0 211.261 2.149 50 0 BEAARN Cc1ccc(OCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020167278 385421549 /nfs/dbraw/zinc/42/15/49/385421549.db2.gz VBZILWQRPQXHKD-KBPBESRZSA-N 0 0 249.354 2.483 50 0 BEAARN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc[nH]1 ZINC000584907091 385465377 /nfs/dbraw/zinc/46/53/77/385465377.db2.gz OMWKTPXHLRZROD-DZGCQCFKSA-N 0 0 240.306 2.475 50 0 BEAARN Cc1ccc(C(=O)CCN2CCOCC2)c(C)c1 ZINC000020421330 385466141 /nfs/dbraw/zinc/46/61/41/385466141.db2.gz LGKGZQBYEDXJBZ-UHFFFAOYSA-N 0 0 247.338 2.208 50 0 BEAARN Cc1cc(C(=O)N2CCC=C(F)C2)co1 ZINC000275833324 385478718 /nfs/dbraw/zinc/47/87/18/385478718.db2.gz BJABPRKOHOPUQP-UHFFFAOYSA-N 0 0 209.220 2.287 50 0 BEAARN Cc1ccc(C)c(NC(=O)c2ccc(=O)[nH]n2)c1 ZINC000000542782 385481734 /nfs/dbraw/zinc/48/17/34/385481734.db2.gz HQMHDWZKSWOHEI-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN CC(=O)N[C@H]1CCSc2ccccc21 ZINC000012879118 385499785 /nfs/dbraw/zinc/49/97/85/385499785.db2.gz JMNCBCYPWNFXHQ-JTQLQIEISA-N 0 0 207.298 2.360 50 0 BEAARN Cc1ccc(C(=O)Nc2ccc(N(C)C)nc2)o1 ZINC000022327032 385504958 /nfs/dbraw/zinc/50/49/58/385504958.db2.gz FGFQLFDMAAIYCK-UHFFFAOYSA-N 0 0 245.282 2.301 50 0 BEAARN C[C@H]1CCCN(Cc2nc(CC3CC3)no2)C1 ZINC000012386458 385605005 /nfs/dbraw/zinc/60/50/05/385605005.db2.gz OLVBYLADBYXZPU-JTQLQIEISA-N 0 0 235.331 2.254 50 0 BEAARN Brc1cn(CC2CC2)cn1 ZINC000584616948 385655277 /nfs/dbraw/zinc/65/52/77/385655277.db2.gz ZKJDIKIAMZIIHG-UHFFFAOYSA-N 0 0 201.067 2.056 50 0 BEAARN O=Cc1cccn1CCOc1ccccc1 ZINC000001053172 385731593 /nfs/dbraw/zinc/73/15/93/385731593.db2.gz IQRLEBZYAOTLPT-UHFFFAOYSA-N 0 0 215.252 2.380 50 0 BEAARN Cn1ccc(CN2CCC(C(F)(F)F)CC2)n1 ZINC000270833274 385751497 /nfs/dbraw/zinc/75/14/97/385751497.db2.gz UCUMAWFFOXBJRC-UHFFFAOYSA-N 0 0 247.264 2.194 50 0 BEAARN Cc1c[nH]c(C(=O)NCCc2ccc(C)s2)n1 ZINC000215896748 385852225 /nfs/dbraw/zinc/85/22/25/385852225.db2.gz NXPBRMKOWHIXDT-UHFFFAOYSA-N 0 0 249.339 2.061 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000262677906 385871999 /nfs/dbraw/zinc/87/19/99/385871999.db2.gz UULAQUWBKLGTQA-NQBHXWOUSA-N 0 0 233.311 2.338 50 0 BEAARN CSCCCNC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000127960864 385948527 /nfs/dbraw/zinc/94/85/27/385948527.db2.gz ZXUQNRJDPHHSEW-WDEREUQCSA-N 0 0 244.404 2.427 50 0 BEAARN O=C1SCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000058167055 385950270 /nfs/dbraw/zinc/95/02/70/385950270.db2.gz YQFPHGZGVHNBLP-JTQLQIEISA-N 0 0 241.743 2.462 50 0 BEAARN c1[nH]nc2ncnc(N3CCc4ccccc43)c12 ZINC000031807626 385965714 /nfs/dbraw/zinc/96/57/14/385965714.db2.gz LNYVXNLQEVHURX-UHFFFAOYSA-N 0 0 237.266 2.047 50 0 BEAARN CSCC(=O)Nc1ccc(C)cc1F ZINC000032960636 386012650 /nfs/dbraw/zinc/01/26/50/386012650.db2.gz GGFMYEFNIQWJOZ-UHFFFAOYSA-N 0 0 213.277 2.436 50 0 BEAARN CC(C)(F)c1nc(Cc2cscn2)no1 ZINC000273752685 386030075 /nfs/dbraw/zinc/03/00/75/386030075.db2.gz PZYPOEIZYFECES-UHFFFAOYSA-N 0 0 227.264 2.322 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)c1n[nH]c2ccccc21 ZINC000012535895 386116411 /nfs/dbraw/zinc/11/64/11/386116411.db2.gz HXMOFVLILAHRRQ-VIFPVBQESA-N 0 0 243.310 2.433 50 0 BEAARN COC(=O)/C=C/c1ccc(C(=O)C2CC2)cc1 ZINC000001386607 386118508 /nfs/dbraw/zinc/11/85/08/386118508.db2.gz SRONYUUWYHVFHY-RUDMXATFSA-N 0 0 230.263 2.466 50 0 BEAARN CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000394102 386145666 /nfs/dbraw/zinc/14/56/66/386145666.db2.gz FHKSNNRUSQQWII-UHFFFAOYSA-N 0 0 247.125 2.494 50 0 BEAARN C[C@H](NC(=O)C[C@H]1C=CCCC1)c1cn[nH]c1 ZINC000275389987 386207144 /nfs/dbraw/zinc/20/71/44/386207144.db2.gz YPTNAIYRQMLNCH-QWRGUYRKSA-N 0 0 233.315 2.333 50 0 BEAARN O=C(CC1CCCCC1)NCCCn1cccn1 ZINC000040504455 386212081 /nfs/dbraw/zinc/21/20/81/386212081.db2.gz HAMOHDWVFVVMLS-UHFFFAOYSA-N 0 0 249.358 2.360 50 0 BEAARN C[C@@H](O)COC(=O)c1c(F)cccc1Cl ZINC000225842723 386221579 /nfs/dbraw/zinc/22/15/79/386221579.db2.gz JACOGKHLBNDZOI-ZCFIWIBFSA-N 0 0 232.638 2.017 50 0 BEAARN CC(C)C[C@@H](C)OCCC(=O)Nc1cn[nH]c1 ZINC000087103373 386239557 /nfs/dbraw/zinc/23/95/57/386239557.db2.gz OUMIPTQLIHXVAF-SNVBAGLBSA-N 0 0 239.319 2.190 50 0 BEAARN CC(C)(C)OC(=O)N1CCc2cnccc21 ZINC000076914386 386300561 /nfs/dbraw/zinc/30/05/61/386300561.db2.gz UYVCYBCSPBEFJR-UHFFFAOYSA-N 0 0 220.272 2.379 50 0 BEAARN Cc1ccc(C(=O)NC2CCCC2)cn1 ZINC000032900992 386321305 /nfs/dbraw/zinc/32/13/05/386321305.db2.gz CJJPWWPCFGJTOW-UHFFFAOYSA-N 0 0 204.273 2.062 50 0 BEAARN Cc1ncn(Cc2ccc(F)cn2)c1C ZINC000276099050 386272539 /nfs/dbraw/zinc/27/25/39/386272539.db2.gz SAAOIZOSWIUEGQ-UHFFFAOYSA-N 0 0 205.236 2.082 50 0 BEAARN CSCC(=O)NCc1sccc1C ZINC000045536669 386376838 /nfs/dbraw/zinc/37/68/38/386376838.db2.gz TYWVTBPCTFEXGU-UHFFFAOYSA-N 0 0 215.343 2.036 50 0 BEAARN c1ccc2c(c1)nnn2-c1ncnc2ccccc21 ZINC000001292916 386325698 /nfs/dbraw/zinc/32/56/98/386325698.db2.gz IJKFWJCZBUPIHA-UHFFFAOYSA-N 0 0 247.261 2.364 50 0 BEAARN Cn1nnc(COc2cccc(C(C)(C)C)c2)n1 ZINC000289586874 386333653 /nfs/dbraw/zinc/33/36/53/386333653.db2.gz RTBWNRYTRQBYCC-UHFFFAOYSA-N 0 0 246.314 2.087 50 0 BEAARN O=C(Nc1nncs1)C12CCC(CC1)C2 ZINC000012618640 386407808 /nfs/dbraw/zinc/40/78/08/386407808.db2.gz SZTRFYJOHQHDNJ-UHFFFAOYSA-N 0 0 223.301 2.057 50 0 BEAARN CCC(CC)[C@H](O)[C@H]1CCCC[C@@H]1O ZINC000001319305 386412730 /nfs/dbraw/zinc/41/27/30/386412730.db2.gz PKYNNTVDTHYWOQ-SRVKXCTJSA-N 0 0 200.322 2.335 50 0 BEAARN O=C1CC[C@@H](c2ccccc2Br)N1 ZINC000237961316 386426873 /nfs/dbraw/zinc/42/68/73/386426873.db2.gz NLBIOMHIVPKNOO-VIFPVBQESA-N 0 0 240.100 2.400 50 0 BEAARN CC[C@@H](C)c1nc(-c2cnc3cnccn32)no1 ZINC000277992211 386482245 /nfs/dbraw/zinc/48/22/45/386482245.db2.gz OYESRPCRPJYKBO-MRVPVSSYSA-N 0 0 243.270 2.293 50 0 BEAARN C[C@]([NH3+])(C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000238485739 386487681 /nfs/dbraw/zinc/48/76/81/386487681.db2.gz IWMDICBGBPNXAH-SECBINFHSA-N 0 0 234.082 2.252 50 0 BEAARN Cc1ccc2c(c1)C[N@@H+](CCC(=O)[O-])C[C@@H](C)O2 ZINC000299775696 386489183 /nfs/dbraw/zinc/48/91/83/386489183.db2.gz MUCIHCPGYCPOHV-LLVKDONJSA-N 0 0 249.310 2.053 50 0 BEAARN CC(=O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000062194500 386496536 /nfs/dbraw/zinc/49/65/36/386496536.db2.gz HPWAQLIGJMUBKK-ZDUSSCGKSA-N 0 0 219.284 2.076 50 0 BEAARN COC(=O)CN1CCC[C@H]1c1cccs1 ZINC000053096025 386507199 /nfs/dbraw/zinc/50/71/99/386507199.db2.gz FODZDDIUETWJOE-VIFPVBQESA-N 0 0 225.313 2.058 50 0 BEAARN C[C@@]1(C(=O)Nc2nccs2)CC1(F)F ZINC000335450924 386521923 /nfs/dbraw/zinc/52/19/23/386521923.db2.gz FAMFZQQWRSQEQZ-ZETCQYMHSA-N 0 0 218.228 2.127 50 0 BEAARN CCCn1cc(N[C@@H](C)CCOC)cn1 ZINC000095991557 386526758 /nfs/dbraw/zinc/52/67/58/386526758.db2.gz KGJGBVMALWBMSY-JTQLQIEISA-N 0 0 211.309 2.130 50 0 BEAARN Cc1ccc([C@](C)(O)c2ncc[nH]2)cc1C ZINC000328579597 386528302 /nfs/dbraw/zinc/52/83/02/386528302.db2.gz QPGDGPAHLAUAIL-ZDUSSCGKSA-N 0 0 216.284 2.282 50 0 BEAARN Cc1ccc([C@@](C)(O)c2ncc[nH]2)cc1C ZINC000328579596 386528311 /nfs/dbraw/zinc/52/83/11/386528311.db2.gz QPGDGPAHLAUAIL-CYBMUJFWSA-N 0 0 216.284 2.282 50 0 BEAARN C[C@H](CS[C@H]1CCNC1=O)c1ccccc1 ZINC000183330525 386595391 /nfs/dbraw/zinc/59/53/91/386595391.db2.gz OGOVVNNJGDIFGG-PWSUYJOCSA-N 0 0 235.352 2.412 50 0 BEAARN Cc1cnc([C@H](C)Nc2cc3n(n2)CCCC3)o1 ZINC000329008733 386595645 /nfs/dbraw/zinc/59/56/45/386595645.db2.gz NVFOFRDFXBCJGM-JTQLQIEISA-N 0 0 246.314 2.111 50 0 BEAARN CC(C)(C)OC(=O)CCSCC(C)(C)O ZINC000240551401 386541729 /nfs/dbraw/zinc/54/17/29/386541729.db2.gz GTLBKPNCXHYYDD-UHFFFAOYSA-N 0 0 234.361 2.222 50 0 BEAARN CSCC(=O)N[C@H](C)c1ccccc1 ZINC000046465097 386636032 /nfs/dbraw/zinc/63/60/32/386636032.db2.gz MDWKZQNRLVPHFE-SECBINFHSA-N 0 0 209.314 2.227 50 0 BEAARN Cc1nsc(N[C@H]2CC[C@H](F)C2)n1 ZINC000307464951 386674578 /nfs/dbraw/zinc/67/45/78/386674578.db2.gz CTNBWJLKQDAINK-BQBZGAKWSA-N 0 0 201.270 2.149 50 0 BEAARN Nc1cc(Br)ccc1-c1cn[nH]c1 ZINC000228984287 386659009 /nfs/dbraw/zinc/65/90/09/386659009.db2.gz BRKDALFLLHIDDY-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN CC(C)[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccn1 ZINC000078826822 386697078 /nfs/dbraw/zinc/69/70/78/386697078.db2.gz QYFRITYSPBBUFK-QWHCGFSZSA-N 0 0 248.326 2.074 50 0 BEAARN CC(C)(C)[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000046801566 386718153 /nfs/dbraw/zinc/71/81/53/386718153.db2.gz NPEKXVTWBDQQLV-UWVGGRQHSA-N 0 0 233.377 2.141 50 0 BEAARN CCC[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000046869896 386726340 /nfs/dbraw/zinc/72/63/40/386726340.db2.gz RPCVPNFFJLOSMC-AWEZNQCLSA-N 0 0 247.338 2.429 50 0 BEAARN CC[C@]1(C)NC(=O)N(c2cccc(C)c2)N1 ZINC000015867864 386729780 /nfs/dbraw/zinc/72/97/80/386729780.db2.gz ZXYKMLVKTSZKEP-GFCCVEGCSA-N 0 0 219.288 2.155 50 0 BEAARN C[C@H]1C[C@@H](c2ccccc2)CCN1C(N)=O ZINC000334414765 386748499 /nfs/dbraw/zinc/74/84/99/386748499.db2.gz PCNRONVSPLJWEI-JQWIXIFHSA-N 0 0 218.300 2.333 50 0 BEAARN CCC[C@@]1(C)NC(=O)N(Cc2ccccc2)C1=O ZINC000047203105 386821643 /nfs/dbraw/zinc/82/16/43/386821643.db2.gz LRGCEQLBESMXDP-CQSZACIVSA-N 0 0 246.310 2.297 50 0 BEAARN CC1(F)CC(NC(=O)c2ccsc2)C1 ZINC000334867602 386926440 /nfs/dbraw/zinc/92/64/40/386926440.db2.gz IRQKRUPCYZMNTF-UHFFFAOYSA-N 0 0 213.277 2.369 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)N2CCC(C)CC2)c1 ZINC000017355661 386927997 /nfs/dbraw/zinc/92/79/97/386927997.db2.gz COVXSSKKJSORSF-UHFFFAOYSA-N 0 0 234.299 2.089 50 0 BEAARN CCNC(=O)N1C[C@H](C)Cc2ccccc21 ZINC000075128073 386962638 /nfs/dbraw/zinc/96/26/38/386962638.db2.gz BTMVOWVZBFEJEL-SNVBAGLBSA-N 0 0 218.300 2.415 50 0 BEAARN COC(=O)CCc1csc(-c2ccccn2)n1 ZINC000049836253 387003166 /nfs/dbraw/zinc/00/31/66/387003166.db2.gz NPBZCBKHOXZEBS-UHFFFAOYSA-N 0 0 248.307 2.311 50 0 BEAARN CC(C)(C)c1ncn(Cc2ncc(C3CC3)o2)n1 ZINC000333530248 387042689 /nfs/dbraw/zinc/04/26/89/387042689.db2.gz MBSNMSIIRYBDHR-UHFFFAOYSA-N 0 0 246.314 2.489 50 0 BEAARN CSCC[C@](C)(O)CNC(=O)CC(C)(C)C ZINC000075157388 387060937 /nfs/dbraw/zinc/06/09/37/387060937.db2.gz WEWWUFZFLLCNIN-LBPRGKRZSA-N 0 0 247.404 2.043 50 0 BEAARN CCc1ccc(CNC(=O)NC2CC2)s1 ZINC000047617264 387010918 /nfs/dbraw/zinc/01/09/18/387010918.db2.gz PAECJCVXKFMQHQ-UHFFFAOYSA-N 0 0 224.329 2.272 50 0 BEAARN c1nnc(SCc2cn3ccccc3n2)s1 ZINC000047822864 387018555 /nfs/dbraw/zinc/01/85/55/387018555.db2.gz HPETYMJEZPWPFD-UHFFFAOYSA-N 0 0 248.336 2.478 50 0 BEAARN CC(=O)c1c(F)cccc1NCC1(O)CCC1 ZINC000074749346 387023717 /nfs/dbraw/zinc/02/37/17/387023717.db2.gz HDLJNJLXDHGDIT-UHFFFAOYSA-N 0 0 237.274 2.355 50 0 BEAARN CC(C)(C)[C@H](O)CCNC(=O)c1ccsc1 ZINC000075157711 387099380 /nfs/dbraw/zinc/09/93/80/387099380.db2.gz RRWMQKVXMPGCJC-SNVBAGLBSA-N 0 0 241.356 2.275 50 0 BEAARN CCOCc1cnc(Cl)nc1Cl ZINC000072194559 387124180 /nfs/dbraw/zinc/12/41/80/387124180.db2.gz RZVUFAWKJMGXSK-UHFFFAOYSA-N 0 0 207.060 2.320 50 0 BEAARN Cc1cc(CN2CCC[C@@](C)(F)C2)no1 ZINC000295400410 387144926 /nfs/dbraw/zinc/14/49/26/387144926.db2.gz LZLISYXGUNGUDY-LLVKDONJSA-N 0 0 212.268 2.307 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000033000205 387171569 /nfs/dbraw/zinc/17/15/69/387171569.db2.gz FXFOWOCDQSUHIW-BXKDBHETSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@@H](O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000575442475 387136154 /nfs/dbraw/zinc/13/61/54/387136154.db2.gz ZUIHDHXPSGPWSW-MXWKQRLJSA-N 0 0 243.347 2.451 50 0 BEAARN CC(=O)Oc1c(C)cc(C)c2ccc(=O)[nH]c21 ZINC000000231948 322809300 /nfs/dbraw/zinc/80/93/00/322809300.db2.gz COPQHXSLEALHFB-UHFFFAOYSA-N 0 0 231.251 2.070 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000032975423 387139491 /nfs/dbraw/zinc/13/94/91/387139491.db2.gz UPIKJVYTQDOKCW-ZWNOBZJWSA-N 0 0 215.296 2.227 50 0 BEAARN Cc1cccc(-c2nc(Cn3ccnc3)no2)c1 ZINC000064543405 387214539 /nfs/dbraw/zinc/21/45/39/387214539.db2.gz JINGOFKISSKQOX-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN Cc1onc(-c2cccc(F)c2)c1C(=O)N(C)C ZINC000064551951 387216964 /nfs/dbraw/zinc/21/69/64/387216964.db2.gz GLSHZLBUSITURA-UHFFFAOYSA-N 0 0 248.257 2.491 50 0 BEAARN COc1cncc(C(=O)N2CCCCCCC2)c1 ZINC000064552351 387217444 /nfs/dbraw/zinc/21/74/44/387217444.db2.gz DOIPXAPPWRVNRU-UHFFFAOYSA-N 0 0 248.326 2.497 50 0 BEAARN O=C1NC2(CCCCC2)C(=O)Nc2ccccc21 ZINC000094419921 387224039 /nfs/dbraw/zinc/22/40/39/387224039.db2.gz RJHIKRCZAYTASA-UHFFFAOYSA-N 0 0 244.294 2.071 50 0 BEAARN Nc1cccn(Cc2ccccc2Cl)c1=O ZINC000013566704 387251582 /nfs/dbraw/zinc/25/15/82/387251582.db2.gz VSWGRNJXYCRGTQ-UHFFFAOYSA-N 0 0 234.686 2.132 50 0 BEAARN O=C1COc2nc3cccc4cccc(c43)n21 ZINC000043214947 387273908 /nfs/dbraw/zinc/27/39/08/387273908.db2.gz NMFXNOLCWJBDGW-UHFFFAOYSA-N 0 0 224.219 2.222 50 0 BEAARN CCOC(=N)COc1ccc(OC)cc1 ZINC000043214696 387274329 /nfs/dbraw/zinc/27/43/29/387274329.db2.gz AWIHNHLMIWTDBS-UHFFFAOYSA-N 0 0 209.245 2.088 50 0 BEAARN CN(C)C(=S)Oc1ccc2c(c1)CCC2=O ZINC000043214700 387274530 /nfs/dbraw/zinc/27/45/30/387274530.db2.gz BCFXRUPMIAQUIH-UHFFFAOYSA-N 0 0 235.308 2.041 50 0 BEAARN CC(C)(O)[C@H]1CC(C)(C)CCC12OCCO2 ZINC000045071325 387275295 /nfs/dbraw/zinc/27/52/95/387275295.db2.gz CZEBIEIESWVPFA-SNVBAGLBSA-N 0 0 228.332 2.327 50 0 BEAARN O=C1C[C@@H]2C=C[C@@H]3C[C@@H](O[C@@H]4CCCCO4)[C@H]1[C@H]23 ZINC000071786021 387287739 /nfs/dbraw/zinc/28/77/39/387287739.db2.gz KYAFNZNPNMKDLZ-MHMWMNNNSA-N 0 0 248.322 2.309 50 0 BEAARN COCSc1nnc(C2CC2)s1 ZINC000088501070 387288398 /nfs/dbraw/zinc/28/83/98/387288398.db2.gz SPOPFTIVHLRYFT-UHFFFAOYSA-N 0 0 202.304 2.112 50 0 BEAARN Oc1ccc(Sc2ncnc3n[nH]cc32)cc1 ZINC000075582052 387294863 /nfs/dbraw/zinc/29/48/63/387294863.db2.gz PZZDRVZFXIKXJF-UHFFFAOYSA-N 0 0 244.279 2.210 50 0 BEAARN CC(C)(O)C1C2CC=CCC1C2C(C)(C)O ZINC000101053670 387299825 /nfs/dbraw/zinc/29/98/25/387299825.db2.gz GTPPDRCMEKENNA-UHFFFAOYSA-N 0 0 224.344 2.357 50 0 BEAARN CC1N=NC(=S)N1c1cccc(F)c1 ZINC000006402049 387378948 /nfs/dbraw/zinc/37/89/48/387378948.db2.gz WWZRETGROPOGPE-UHFFFAOYSA-N 0 0 209.249 2.004 50 0 BEAARN CCOC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000253611805 387344315 /nfs/dbraw/zinc/34/43/15/387344315.db2.gz LJAPMASBQRQOCI-KBPBESRZSA-N 0 0 247.338 2.285 50 0 BEAARN Cc1ccc(CCC(=O)Nc2cnns2)o1 ZINC000191304081 387383780 /nfs/dbraw/zinc/38/37/80/387383780.db2.gz CNWPYYAOIBUHFK-UHFFFAOYSA-N 0 0 237.284 2.011 50 0 BEAARN O=[S@](Cc1ccccn1)c1cccc(O)c1 ZINC000191200588 387353220 /nfs/dbraw/zinc/35/32/20/387353220.db2.gz KRTRKFHYHDRZCL-MRXNPFEDSA-N 0 0 233.292 2.095 50 0 BEAARN CC(C)(C)C(=O)NCC[C@H](O)c1cccs1 ZINC000077113093 387449212 /nfs/dbraw/zinc/44/92/12/387449212.db2.gz CYJFSXBCWJRYAK-VIFPVBQESA-N 0 0 241.356 2.334 50 0 BEAARN CN(C)c1nccn2nc(-c3ccccc3)cc12 ZINC000263615848 387385137 /nfs/dbraw/zinc/38/51/37/387385137.db2.gz FNLKYSCVVJICAF-UHFFFAOYSA-N 0 0 238.294 2.462 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1C ZINC000012984711 387386457 /nfs/dbraw/zinc/38/64/57/387386457.db2.gz FTVIOYWIJQZVJZ-KWQFWETISA-N 0 0 247.294 2.376 50 0 BEAARN CCN(CC)c1ccc(C(=O)NC2CC2)c(O)c1 ZINC000053759894 387499346 /nfs/dbraw/zinc/49/93/46/387499346.db2.gz HPNQNLNHKXAZMU-UHFFFAOYSA-N 0 0 248.326 2.131 50 0 BEAARN C=CS(=O)(=O)CCSc1ccccc1 ZINC000035327322 387503282 /nfs/dbraw/zinc/50/32/82/387503282.db2.gz LRCAIQAKJVCCBD-UHFFFAOYSA-N 0 0 228.338 2.337 50 0 BEAARN COC(=O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000096491744 387465243 /nfs/dbraw/zinc/46/52/43/387465243.db2.gz WJPMRWREIRXUKC-UHFFFAOYSA-N 0 0 239.702 2.092 50 0 BEAARN CCSCCCNC(=O)NC1CCCC1 ZINC000300846255 387491289 /nfs/dbraw/zinc/49/12/89/387491289.db2.gz AMVBTIOPXVGRPN-UHFFFAOYSA-N 0 0 230.377 2.371 50 0 BEAARN COc1cc(C)cc(OC)c1-c1cn(C)cn1 ZINC000426674228 387583803 /nfs/dbraw/zinc/58/38/03/387583803.db2.gz NDXCOOLFHXFECK-UHFFFAOYSA-N 0 0 232.283 2.413 50 0 BEAARN CCc1c(-c2ccc(OC)nc2OC)cnn1C ZINC000426658381 387584155 /nfs/dbraw/zinc/58/41/55/387584155.db2.gz MZRGPTYULSQPDH-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN Cc1cc(-n2cnnc2)ncc1-c1ccoc1 ZINC000426668315 387584417 /nfs/dbraw/zinc/58/44/17/387584417.db2.gz LCTVYCGGWMMEPZ-UHFFFAOYSA-N 0 0 226.239 2.231 50 0 BEAARN O=C(c1cc(-c2cn[nH]c2)c[nH]1)N1CCCCC1 ZINC000426685411 387586100 /nfs/dbraw/zinc/58/61/00/387586100.db2.gz QBRXWHWQRVSNRQ-UHFFFAOYSA-N 0 0 244.298 2.031 50 0 BEAARN O=C(c1ccc(-n2ccnc2)cc1)N1CCCC1 ZINC000036392812 387555453 /nfs/dbraw/zinc/55/54/53/387555453.db2.gz DJAVJIDLYYCKRF-UHFFFAOYSA-N 0 0 241.294 2.108 50 0 BEAARN Fc1ccc(F)c(-c2cnc3ncnn3c2)c1 ZINC000426377899 387560032 /nfs/dbraw/zinc/56/00/32/387560032.db2.gz FYVJOOJWQABNGY-UHFFFAOYSA-N 0 0 232.193 2.070 50 0 BEAARN O=C(CC1CCCCC1)Nc1cn[nH]c1 ZINC000035237377 387560453 /nfs/dbraw/zinc/56/04/53/387560453.db2.gz YVKXXJUCWGXCLM-UHFFFAOYSA-N 0 0 207.277 2.319 50 0 BEAARN COc1ncccc1-c1cnn(CC2CC2)c1 ZINC000426360443 387560910 /nfs/dbraw/zinc/56/09/10/387560910.db2.gz RJPJSJJNRXJRFF-UHFFFAOYSA-N 0 0 229.283 2.364 50 0 BEAARN C[C@@H](NC(=O)CC(C)(C)C)c1cnn(C)c1 ZINC000027919787 387562873 /nfs/dbraw/zinc/56/28/73/387562873.db2.gz AEXDJYZSZKSYNW-SECBINFHSA-N 0 0 223.320 2.034 50 0 BEAARN CC(=O)c1ccc(-c2ccc(N(C)C)nc2)nc1 ZINC000426388111 387563518 /nfs/dbraw/zinc/56/35/18/387563518.db2.gz DTIOKPMMPKHTIY-UHFFFAOYSA-N 0 0 241.294 2.412 50 0 BEAARN COc1cc(OC)nc(-c2ccc(O)c(C)c2)n1 ZINC000426465263 387572652 /nfs/dbraw/zinc/57/26/52/387572652.db2.gz SKVHNOMIZRNDIC-UHFFFAOYSA-N 0 0 246.266 2.175 50 0 BEAARN CCn1nc(-c2ccc(C)c(F)c2)nc1N(C)C ZINC000426478043 387573444 /nfs/dbraw/zinc/57/34/44/387573444.db2.gz QNKJRGWBAOJEOY-UHFFFAOYSA-N 0 0 248.305 2.479 50 0 BEAARN CO[C@@H](C)CCOC(=O)c1cccc2c[nH]nc21 ZINC000078949289 387743404 /nfs/dbraw/zinc/74/34/04/387743404.db2.gz SRDZNBCCWJRFFF-VIFPVBQESA-N 0 0 248.282 2.145 50 0 BEAARN Cn1nccc1C(=O)Nc1ccccc1Cl ZINC000006725357 387798807 /nfs/dbraw/zinc/79/88/07/387798807.db2.gz OYKLXVYEHXQQIR-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN Cc1ccc(NC(=O)C(=O)c2ccc[nH]2)cc1 ZINC000065083790 387837541 /nfs/dbraw/zinc/83/75/41/387837541.db2.gz DKJVPTZWJMIZLJ-UHFFFAOYSA-N 0 0 228.251 2.145 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CC[C@H]2O)CC1 ZINC000090411027 387854598 /nfs/dbraw/zinc/85/45/98/387854598.db2.gz WDKIIEDHAHSCRN-SNVBAGLBSA-N 0 0 241.331 2.158 50 0 BEAARN Cc1nnc(COc2ccc(F)c(F)c2)o1 ZINC000062662000 387855962 /nfs/dbraw/zinc/85/59/62/387855962.db2.gz NNRMVQMGUNTBQA-UHFFFAOYSA-N 0 0 226.182 2.235 50 0 BEAARN Cc1cc(C)c(N2C(=O)CN(C)C2=O)c(C)c1 ZINC000225559146 177864614 /nfs/dbraw/zinc/86/46/14/177864614.db2.gz XDSWDOQXLQVJNE-UHFFFAOYSA-N 0 0 232.283 2.010 50 0 BEAARN Cc1cc(C)c(C)c(S(=O)(=O)N(C)C)c1C ZINC000006314829 177853630 /nfs/dbraw/zinc/85/36/30/177853630.db2.gz HDWCCGOKSUKHTM-UHFFFAOYSA-N 0 0 241.356 2.171 50 0 BEAARN CC[C@@H](c1ccccc1)[C@@H]1CNC(=O)C1 ZINC000238279331 387932626 /nfs/dbraw/zinc/93/26/26/387932626.db2.gz RJQXMTQXSQXQNP-RYUDHWBXSA-N 0 0 203.285 2.316 50 0 BEAARN Cc1cc(C(=O)O[C@H](C)Cn2cccn2)c(C)o1 ZINC000083795875 177825874 /nfs/dbraw/zinc/82/58/74/177825874.db2.gz PSJALWTVTDGDHH-SNVBAGLBSA-N 0 0 248.282 2.338 50 0 BEAARN Cc1cc(C(N)=O)cc(C)c1OC(F)F ZINC000071886366 177831645 /nfs/dbraw/zinc/83/16/45/177831645.db2.gz PFZCCINRWGOIBE-UHFFFAOYSA-N 0 0 215.199 2.004 50 0 BEAARN CC(C)C(=O)NCc1noc(-c2ccccc2)n1 ZINC000064988262 387958357 /nfs/dbraw/zinc/95/83/57/387958357.db2.gz VGGJPRNBLSXRHO-UHFFFAOYSA-N 0 0 245.282 2.009 50 0 BEAARN CCN(C(=O)c1cc(-c2ccco2)n[nH]1)C1CC1 ZINC000065539444 388084895 /nfs/dbraw/zinc/08/48/95/388084895.db2.gz ZNKKHRATVSHGDG-UHFFFAOYSA-N 0 0 245.282 2.294 50 0 BEAARN Cc1ccc(CCNC(=O)C2CC2)c(C)c1 ZINC000065572509 388085760 /nfs/dbraw/zinc/08/57/60/388085760.db2.gz MRYISHCVWRZTPY-UHFFFAOYSA-N 0 0 217.312 2.372 50 0 BEAARN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000267003337 388091272 /nfs/dbraw/zinc/09/12/72/388091272.db2.gz DYCIXKSKOLWLPX-TZMCWYRMSA-N 0 0 247.338 2.414 50 0 BEAARN Nc1cnn(-c2ccccc2)c1C(F)F ZINC000085634246 388093236 /nfs/dbraw/zinc/09/32/36/388093236.db2.gz BCAPILVWAGARFV-UHFFFAOYSA-N 0 0 209.199 2.392 50 0 BEAARN CC(=O)c1cccc(NC(=O)c2ccno2)c1 ZINC000010254038 388106965 /nfs/dbraw/zinc/10/69/65/388106965.db2.gz PVNRBALCLBNHCG-UHFFFAOYSA-N 0 0 230.223 2.130 50 0 BEAARN Cc1noc(NC(=O)c2ccc(C)c(F)c2)n1 ZINC000042703071 388107013 /nfs/dbraw/zinc/10/70/13/388107013.db2.gz PDHDUTVPAOJQDA-UHFFFAOYSA-N 0 0 235.218 2.078 50 0 BEAARN CC(=O)COc1cc(C)cc2oc(=O)cc(C)c12 ZINC000011765741 256514661 /nfs/dbraw/zinc/51/46/61/256514661.db2.gz LDZQNQYCHXALBG-UHFFFAOYSA-N 0 0 246.262 2.378 50 0 BEAARN Cc1cc(C(=O)NC2CCCC2)c(C)[nH]1 ZINC000040510368 177775544 /nfs/dbraw/zinc/77/55/44/177775544.db2.gz ZFSUFUCYPQDCKH-UHFFFAOYSA-N 0 0 206.289 2.304 50 0 BEAARN O=C(c1cc(Cl)c[nH]1)N1CCCSCC1 ZINC000071853575 388121050 /nfs/dbraw/zinc/12/10/50/388121050.db2.gz DWDGCSVOKDZVLD-UHFFFAOYSA-N 0 0 244.747 2.247 50 0 BEAARN C[C@@H](NC(=O)NC1CCCC1)c1cccnc1 ZINC000013331917 388130234 /nfs/dbraw/zinc/13/02/34/388130234.db2.gz BWYRRJZRDVNBDP-SNVBAGLBSA-N 0 0 233.315 2.384 50 0 BEAARN C[C@H](NC(=O)NC1CCCC1)c1cccnc1 ZINC000013331918 388130361 /nfs/dbraw/zinc/13/03/61/388130361.db2.gz BWYRRJZRDVNBDP-JTQLQIEISA-N 0 0 233.315 2.384 50 0 BEAARN CC(=O)Nc1c(F)c(F)cc(F)c1F ZINC000021989468 256522565 /nfs/dbraw/zinc/52/25/65/256522565.db2.gz YACCDYDHWZNJOA-UHFFFAOYSA-N 0 0 207.126 2.201 50 0 BEAARN Cc1cc(C(=O)N2[C@H](C)COC[C@@H]2C)c(C)o1 ZINC000000999810 177771373 /nfs/dbraw/zinc/77/13/73/177771373.db2.gz LPMCJOCJENMJSX-DTORHVGOSA-N 0 0 237.299 2.146 50 0 BEAARN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000042163737 388268716 /nfs/dbraw/zinc/26/87/16/388268716.db2.gz RYMUKLALCSWZSB-NSHDSACASA-N 0 0 237.274 2.265 50 0 BEAARN Cn1ccsc1=NC(=O)C=C(C1CC1)C1CC1 ZINC000254616903 388345249 /nfs/dbraw/zinc/34/52/49/388345249.db2.gz FURXBXLUMOXNSJ-UHFFFAOYSA-N 0 0 248.351 2.260 50 0 BEAARN CC(C)(C)CC(=O)NC[C@@H]1CCCS1 ZINC000089642990 388356881 /nfs/dbraw/zinc/35/68/81/388356881.db2.gz WBJOONKJWGYQMA-VIFPVBQESA-N 0 0 215.362 2.434 50 0 BEAARN CC[C@H]1CN(CCCO)c2ccccc2O1 ZINC000075840290 388357040 /nfs/dbraw/zinc/35/70/40/388357040.db2.gz LVSMDFFWHYQCJY-NSHDSACASA-N 0 0 221.300 2.046 50 0 BEAARN CC(C)CC(=O)Nc1ccc2c(c1)c(=O)[nH]n2C ZINC000227164836 388358748 /nfs/dbraw/zinc/35/87/48/388358748.db2.gz QRRKHYPNDQOPEQ-UHFFFAOYSA-N 0 0 247.298 2.264 50 0 BEAARN COC(=O)c1[nH]cc(-c2cccc(OC)c2)c1N ZINC000057519912 388361161 /nfs/dbraw/zinc/36/11/61/388361161.db2.gz YRUZYAZMWWWMAG-UHFFFAOYSA-N 0 0 246.266 2.059 50 0 BEAARN c1nc2sc3c(c2c(N2CCC2)n1)CCC3 ZINC000057536216 388362665 /nfs/dbraw/zinc/36/26/65/388362665.db2.gz NGJZVRNAHUJEQW-UHFFFAOYSA-N 0 0 231.324 2.390 50 0 BEAARN Cc1noc(C)c1COC(=O)c1ccoc1 ZINC000057896791 388369495 /nfs/dbraw/zinc/36/94/95/388369495.db2.gz DBIMMKPEEVCQSM-UHFFFAOYSA-N 0 0 221.212 2.241 50 0 BEAARN C[C@@H](Sc1ccccc1)C(=O)N1CCC1 ZINC000012914195 256647240 /nfs/dbraw/zinc/64/72/40/256647240.db2.gz QTMPPWMLGUPUJP-SNVBAGLBSA-N 0 0 221.325 2.400 50 0 BEAARN Cc1cc(C)n(Cc2nc(-c3ccoc3)no2)n1 ZINC000076062568 388371289 /nfs/dbraw/zinc/37/12/89/388371289.db2.gz XJZSQOMWLNAZPX-UHFFFAOYSA-N 0 0 244.254 2.191 50 0 BEAARN CO[C@H](C)CCOC(=O)c1cc(C(C)C)[nH]n1 ZINC000076091094 388374416 /nfs/dbraw/zinc/37/44/16/388374416.db2.gz FZOWHLRDZLUIKF-SECBINFHSA-N 0 0 240.303 2.115 50 0 BEAARN CCC[C@H](C)c1cc(NC(=O)c2cc[nH]n2)n[nH]1 ZINC000076087984 388374674 /nfs/dbraw/zinc/37/46/74/388374674.db2.gz USPLHHUEKBZTPV-QMMMGPOBSA-N 0 0 247.302 2.289 50 0 BEAARN CS[C@H]1CCC[C@H]1N(C)Cc1nnc(C)o1 ZINC000076146385 388379955 /nfs/dbraw/zinc/37/99/55/388379955.db2.gz SMEPZXDQTLHTLI-ZJUUUORDSA-N 0 0 241.360 2.094 50 0 BEAARN Cc1ccc(OCCC2OCCO2)cc1F ZINC000193581966 388388490 /nfs/dbraw/zinc/38/84/90/388388490.db2.gz ODWQYSNYGIJRMV-UHFFFAOYSA-N 0 0 226.247 2.276 50 0 BEAARN CC(=O)Nc1cccc(CNC(=O)C2CCC2)c1 ZINC000032361973 388396885 /nfs/dbraw/zinc/39/68/85/388396885.db2.gz MNBLKMVTDVWNSH-UHFFFAOYSA-N 0 0 246.310 2.061 50 0 BEAARN O=Cc1sc2cccc3c(C=O)cnc1-n-2-3 ZINC000004263371 388397201 /nfs/dbraw/zinc/39/72/01/388397201.db2.gz JQVNHQGHCVJULP-UHFFFAOYSA-N 0 0 230.248 2.101 50 0 BEAARN CC(C)NC(=O)NC[C@@H]1CCCC1(F)F ZINC000335592941 388451690 /nfs/dbraw/zinc/45/16/90/388451690.db2.gz WYPHOMPTRGTFAO-QMMMGPOBSA-N 0 0 220.263 2.129 50 0 BEAARN COC[C@H](C)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000195550392 388481573 /nfs/dbraw/zinc/48/15/73/388481573.db2.gz RKKDJOJSSLBGMY-QJPTWQEYSA-N 0 0 239.359 2.376 50 0 BEAARN Cn1cccc1C(=O)Nc1nnc(C2CC2)s1 ZINC000069055367 388412431 /nfs/dbraw/zinc/41/24/31/388412431.db2.gz ABBKQLMXKNRMNV-UHFFFAOYSA-N 0 0 248.311 2.006 50 0 BEAARN CCCCC[C@@H](C)NC(=O)[C@H]1CCOC1 ZINC000069314095 388414353 /nfs/dbraw/zinc/41/43/53/388414353.db2.gz SRRBAGXXJFANTJ-MNOVXSKESA-N 0 0 213.321 2.108 50 0 BEAARN Cc1ccc(C)c(-c2csc(CC(N)=O)n2)c1 ZINC000040467853 388416916 /nfs/dbraw/zinc/41/69/16/388416916.db2.gz KXXFXCDNCKHZQR-UHFFFAOYSA-N 0 0 246.335 2.455 50 0 BEAARN Cc1ccc(CNC(=O)c2cccc(C)n2)cn1 ZINC000069529878 388419270 /nfs/dbraw/zinc/41/92/70/388419270.db2.gz KDZPYMLKQCQSFB-UHFFFAOYSA-N 0 0 241.294 2.023 50 0 BEAARN Cc1c(C(=O)N2CCCCCCC2)cnn1C ZINC000054610428 388419976 /nfs/dbraw/zinc/41/99/76/388419976.db2.gz FPZPKGBWELDUJZ-UHFFFAOYSA-N 0 0 235.331 2.135 50 0 BEAARN CC(C)CSCCC(=O)N1CCCC1 ZINC000040523660 388419963 /nfs/dbraw/zinc/41/99/63/388419963.db2.gz KMHSOKZNSZMGRS-UHFFFAOYSA-N 0 0 215.362 2.388 50 0 BEAARN Cc1cnn([C@H](C)[C@@H](C)NCc2cc(C)on2)c1 ZINC000069562763 388420535 /nfs/dbraw/zinc/42/05/35/388420535.db2.gz BSHOAKYEHIVCMS-VXGBXAGGSA-N 0 0 248.330 2.227 50 0 BEAARN Cc1ncsc1C(=O)N1CCCCCC1 ZINC000040529101 388420591 /nfs/dbraw/zinc/42/05/91/388420591.db2.gz HNCOTHJLYDVRKX-UHFFFAOYSA-N 0 0 224.329 2.468 50 0 BEAARN Cc1cnn([C@H](C)[C@H](C)NCc2cc(C)on2)c1 ZINC000069562762 388420666 /nfs/dbraw/zinc/42/06/66/388420666.db2.gz BSHOAKYEHIVCMS-NWDGAFQWSA-N 0 0 248.330 2.227 50 0 BEAARN Cc1n[nH]cc1CNC(=O)C=Cc1ccsc1 ZINC000069670014 388423825 /nfs/dbraw/zinc/42/38/25/388423825.db2.gz PTQKEMNVQBAVIU-NSCUHMNNSA-N 0 0 247.323 2.109 50 0 BEAARN CCCc1ccc(C(=O)CCC(N)=O)cc1 ZINC000041232560 388433459 /nfs/dbraw/zinc/43/34/59/388433459.db2.gz MZWLKGAAAREQHZ-UHFFFAOYSA-N 0 0 219.284 2.087 50 0 BEAARN C[C@H](NC(=O)c1cnccn1)c1ccc(F)cc1 ZINC000009479859 388436498 /nfs/dbraw/zinc/43/64/98/388436498.db2.gz JVGJHTLLCFAHMR-VIFPVBQESA-N 0 0 245.257 2.107 50 0 BEAARN C[C@@H](NC(=O)c1cccs1)[C@H]1CCCO1 ZINC000006725506 388524538 /nfs/dbraw/zinc/52/45/38/388524538.db2.gz OGFXORSTWREMFF-RKDXNWHRSA-N 0 0 225.313 2.045 50 0 BEAARN Cc1nc[nH]c1CC(=O)Nc1cc(C)ccc1F ZINC000253421567 388591750 /nfs/dbraw/zinc/59/17/50/388591750.db2.gz YCEXGBNDHHQAJH-UHFFFAOYSA-N 0 0 247.273 2.347 50 0 BEAARN CC(C)C[C@@H](C)OC(=O)N1CCC[C@H](O)C1 ZINC000253419740 388592143 /nfs/dbraw/zinc/59/21/43/388592143.db2.gz RPMRXLZLDVFDMD-MNOVXSKESA-N 0 0 229.320 2.014 50 0 BEAARN Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1 ZINC000105673360 388593491 /nfs/dbraw/zinc/59/34/91/388593491.db2.gz DFVYSXFNAAXTPS-MVWJERBFSA-N 0 0 247.342 2.340 50 0 BEAARN O=c1[nH]c2cc(Cl)c(Br)cc2[nH]1 ZINC000134722385 388593686 /nfs/dbraw/zinc/59/36/86/388593686.db2.gz KBTLCMJLOSQEDO-UHFFFAOYSA-N 0 0 247.479 2.272 50 0 BEAARN c1noc2ncnc(NC3CCCCC3)c12 ZINC000225502816 388595066 /nfs/dbraw/zinc/59/50/66/388595066.db2.gz RYXJYFXMOWFGQU-UHFFFAOYSA-N 0 0 218.260 2.362 50 0 BEAARN C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)[O-])C1 ZINC000237360082 388595711 /nfs/dbraw/zinc/59/57/11/388595711.db2.gz WUQIMQSNEGRWSA-BXKDBHETSA-N 0 0 237.274 2.293 50 0 BEAARN Cc1nsc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000301607774 388599286 /nfs/dbraw/zinc/59/92/86/388599286.db2.gz OAISSMJAJJBJPT-IUCAKERBSA-N 0 0 209.318 2.083 50 0 BEAARN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)O1 ZINC000245952674 388611083 /nfs/dbraw/zinc/61/10/83/388611083.db2.gz BJSUJGZXLNOMER-FDYHWXHSSA-N 0 0 237.343 2.345 50 0 BEAARN CCc1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000001480330 388611604 /nfs/dbraw/zinc/61/16/04/388611604.db2.gz PDJPGHWLMPBBMV-LBPRGKRZSA-N 0 0 219.284 2.367 50 0 BEAARN COc1ccc(OC)c([C@H]2CCCN2C(C)=O)c1 ZINC000032819173 388611748 /nfs/dbraw/zinc/61/17/48/388611748.db2.gz HUKPYMQSFICYEX-CYBMUJFWSA-N 0 0 249.310 2.387 50 0 BEAARN Cc1ccncc1CNC(=O)OC(C)(C)C ZINC000167322416 388620515 /nfs/dbraw/zinc/62/05/15/388620515.db2.gz UBQCNPJWZDELMI-UHFFFAOYSA-N 0 0 222.288 2.415 50 0 BEAARN Cc1ccc(C)n1CC(=O)Nc1ccccn1 ZINC000074694377 388651008 /nfs/dbraw/zinc/65/10/08/388651008.db2.gz FKLZILJBCANPGZ-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN Cc1occc1C(=O)n1ccccc1=NC(C)C ZINC000254399616 388736235 /nfs/dbraw/zinc/73/62/35/388736235.db2.gz UQLMHIAFNKLIOJ-UHFFFAOYSA-N 0 0 244.294 2.387 50 0 BEAARN Cc1cc(C(=O)NCc2cc(C(C)C)no2)on1 ZINC000078725763 388738239 /nfs/dbraw/zinc/73/82/39/388738239.db2.gz SQJUVOFMZMAFNS-UHFFFAOYSA-N 0 0 249.270 2.024 50 0 BEAARN C=CC(=O)N(CCc1nccs1)C(C)C ZINC000328600714 388738617 /nfs/dbraw/zinc/73/86/17/388738617.db2.gz ZEHWHPQZFLQLFY-UHFFFAOYSA-N 0 0 224.329 2.109 50 0 BEAARN Cc1ccoc1C(=O)NC[C@H]1CCCS1 ZINC000089701961 388739230 /nfs/dbraw/zinc/73/92/30/388739230.db2.gz PYXMXKKDUKCJDB-SECBINFHSA-N 0 0 225.313 2.213 50 0 BEAARN CCONC(=O)c1cc(C)ccc1N1CCCC1 ZINC000078763131 388739288 /nfs/dbraw/zinc/73/92/88/388739288.db2.gz DRQVPGLSUANFPT-UHFFFAOYSA-N 0 0 248.326 2.277 50 0 BEAARN C[C@]1(CO)CCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000079110006 388745476 /nfs/dbraw/zinc/74/54/76/388745476.db2.gz YVHDZSLHMGJAGE-OUCADQQQSA-N 0 0 237.343 2.010 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCN(C)c2ccc(F)cc21 ZINC000081074414 388717334 /nfs/dbraw/zinc/71/73/34/388717334.db2.gz UBFVARLRHWGQHG-MWLCHTKSSA-N 0 0 248.301 2.265 50 0 BEAARN CCC[C@@H]1SCCN1C(=O)[C@H](C)OCC ZINC000118651359 388731754 /nfs/dbraw/zinc/73/17/54/388731754.db2.gz LGEUIJAJLRDQJX-UWVGGRQHSA-N 0 0 231.361 2.113 50 0 BEAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](C)C(C)C ZINC000095956567 388792968 /nfs/dbraw/zinc/79/29/68/388792968.db2.gz HQYRWSSQIAMWTK-RKDXNWHRSA-N 0 0 237.347 2.291 50 0 BEAARN COC[C@@H](C)N(C)c1nc2ccccc2o1 ZINC000095951836 388794354 /nfs/dbraw/zinc/79/43/54/388794354.db2.gz BYQLJGJWNFLTBX-SECBINFHSA-N 0 0 220.272 2.299 50 0 BEAARN Cc1cnc(N[C@@H]2CCC[C@]2(C)CO)nc1C ZINC000095978540 388797332 /nfs/dbraw/zinc/79/73/32/388797332.db2.gz HAYKHPJOYJHYGP-DGCLKSJQSA-N 0 0 235.331 2.056 50 0 BEAARN CC[C@@H](C)OCC(=O)Nc1ncccc1Cl ZINC000095994014 388802220 /nfs/dbraw/zinc/80/22/20/388802220.db2.gz MRJUICMVEZUXSQ-MRVPVSSYSA-N 0 0 242.706 2.489 50 0 BEAARN CO[C@@H](C)c1noc(COc2cccnc2C)n1 ZINC000096007477 388803096 /nfs/dbraw/zinc/80/30/96/388803096.db2.gz FNAFOQBKKFFCFJ-VIFPVBQESA-N 0 0 249.270 2.059 50 0 BEAARN CCC(=O)Nc1ccc(NC(=O)OC)c(F)c1 ZINC000096009032 388803355 /nfs/dbraw/zinc/80/33/55/388803355.db2.gz MUKQOHYIZSKVPT-UHFFFAOYSA-N 0 0 240.234 2.353 50 0 BEAARN CC(C)C(=O)Nc1cc(-c2cccnc2)no1 ZINC000096184014 388809748 /nfs/dbraw/zinc/80/97/48/388809748.db2.gz YUGSJWJOFVLMMP-UHFFFAOYSA-N 0 0 231.255 2.331 50 0 BEAARN CCCC(=O)Nc1cc(-c2cccnc2)no1 ZINC000096184017 388810124 /nfs/dbraw/zinc/81/01/24/388810124.db2.gz HSRJMEWKKVBIHH-UHFFFAOYSA-N 0 0 231.255 2.475 50 0 BEAARN CC[C@H](c1ccncc1)N(CC)C(=O)NC ZINC000095399962 388765108 /nfs/dbraw/zinc/76/51/08/388765108.db2.gz QHABNTWVNWEVNR-LLVKDONJSA-N 0 0 221.304 2.194 50 0 BEAARN CN(CCSc1c[nH]nn1)c1ccccc1 ZINC000095414731 388766941 /nfs/dbraw/zinc/76/69/41/388766941.db2.gz NGDZELYHDUGWPD-UHFFFAOYSA-N 0 0 234.328 2.033 50 0 BEAARN COCc1nc(C)cc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000095410696 388767033 /nfs/dbraw/zinc/76/70/33/388767033.db2.gz DEHDEWPPFROMEB-RYUDHWBXSA-N 0 0 247.342 2.168 50 0 BEAARN Cc1ccc(CC(=O)O[C@H]2CCSC2)o1 ZINC000095444285 388772770 /nfs/dbraw/zinc/77/27/70/388772770.db2.gz KBGAECSLEDTDBC-JTQLQIEISA-N 0 0 226.297 2.179 50 0 BEAARN CC(=O)c1nc(-c2ccc(O)cc2O)cs1 ZINC000095462125 388774653 /nfs/dbraw/zinc/77/46/53/388774653.db2.gz LLHQMUAJAFNADA-UHFFFAOYSA-N 0 0 235.264 2.424 50 0 BEAARN CC(C)C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000080767628 388780265 /nfs/dbraw/zinc/78/02/65/388780265.db2.gz VXIXTKMGXJOXBJ-JTQLQIEISA-N 0 0 239.290 2.365 50 0 BEAARN CC/C=C(\C)C(=O)NCc1cccnc1OC ZINC000096305656 388814775 /nfs/dbraw/zinc/81/47/75/388814775.db2.gz JLBFSJDNSVZXAK-UXBLZVDNSA-N 0 0 234.299 2.063 50 0 BEAARN Cc1cc(-c2onc(C)c2-c2noc(C)n2)no1 ZINC000000122745 177697388 /nfs/dbraw/zinc/69/73/88/177697388.db2.gz AUTNFEHSNVJCAI-UHFFFAOYSA-N 0 0 246.226 2.305 50 0 BEAARN CCCCOCC(=O)Nc1cccc(C)c1O ZINC000096452142 388819493 /nfs/dbraw/zinc/81/94/93/388819493.db2.gz BOFHEWCTIQCWFW-UHFFFAOYSA-N 0 0 237.299 2.456 50 0 BEAARN CCCc1csc(NC(=O)c2cc[nH]n2)n1 ZINC000096489318 388819766 /nfs/dbraw/zinc/81/97/66/388819766.db2.gz LFZNYYOFAUWLAU-UHFFFAOYSA-N 0 0 236.300 2.071 50 0 BEAARN COCc1ccc(CNc2nc(C)no2)cc1 ZINC000096494469 388821994 /nfs/dbraw/zinc/82/19/94/388821994.db2.gz KUZNOWNWTUQZJQ-UHFFFAOYSA-N 0 0 233.271 2.137 50 0 BEAARN CC[C@H](OC(=O)c1cscc1C)C(=O)OC ZINC000097022685 388829649 /nfs/dbraw/zinc/82/96/49/388829649.db2.gz BPFNWHSUHWBFHI-VIFPVBQESA-N 0 0 242.296 2.165 50 0 BEAARN CC(C)Cn1cc(N[C@@H]2CCO[C@H]2C)cn1 ZINC000097038675 388831796 /nfs/dbraw/zinc/83/17/96/388831796.db2.gz QXNFVPZDQOOKFI-CMPLNLGQSA-N 0 0 223.320 2.128 50 0 BEAARN COC[C@H](NCc1ncccc1C)c1ccco1 ZINC000097238398 388835168 /nfs/dbraw/zinc/83/51/68/388835168.db2.gz ATRUQMWCMGHICT-ZDUSSCGKSA-N 0 0 246.310 2.460 50 0 BEAARN CC(C)(C)CSCC(=O)NCC(F)(F)F ZINC000225640840 388839220 /nfs/dbraw/zinc/83/92/20/388839220.db2.gz FSKRVUJYMYGNLH-UHFFFAOYSA-N 0 0 243.294 2.444 50 0 BEAARN Cc1nnc2sc(-c3ccc(N)c(C)c3)nn12 ZINC000004458534 177693281 /nfs/dbraw/zinc/69/32/81/177693281.db2.gz JJPVLHIJZIGNAL-UHFFFAOYSA-N 0 0 245.311 2.052 50 0 BEAARN Cc1c[nH]c2ncc(Br)nc12 ZINC000118763410 177643755 /nfs/dbraw/zinc/64/37/55/177643755.db2.gz CYCAOGCFPKJZTI-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1c2c(nc3cc4c(cc13)OCO4)CCC2=O ZINC000048607393 177635921 /nfs/dbraw/zinc/63/59/21/177635921.db2.gz VFKIFBZEHGIRRR-UHFFFAOYSA-N 0 0 241.246 2.401 50 0 BEAARN CCc1ccc(N2CCC(=O)CC2)cc1 ZINC000019427546 132324828 /nfs/dbraw/zinc/32/48/28/132324828.db2.gz LOKGYBQCMXQCHJ-UHFFFAOYSA-N 0 0 203.285 2.418 50 0 BEAARN FC(F)(F)CN1CCNc2ccccc21 ZINC000037654315 132344936 /nfs/dbraw/zinc/34/49/36/132344936.db2.gz LKBTZOXDQGVLSD-UHFFFAOYSA-N 0 0 216.206 2.481 50 0 BEAARN CC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000064554722 132389312 /nfs/dbraw/zinc/38/93/12/132389312.db2.gz DUHCXFUXSHPGEW-ZETCQYMHSA-N 0 0 225.675 2.474 50 0 BEAARN CC(C)CCCNC(=O)N1CCSCC1 ZINC000084510344 166806587 /nfs/dbraw/zinc/80/65/87/166806587.db2.gz BCPRGQIMZWGANX-UHFFFAOYSA-N 0 0 230.377 2.181 50 0 BEAARN Cc1nccc(N2CCc3ccccc3C2)n1 ZINC000266138964 132184638 /nfs/dbraw/zinc/18/46/38/132184638.db2.gz QAQJAJHRYKDDIJ-UHFFFAOYSA-N 0 0 225.295 2.348 50 0 BEAARN COCC1=CCN(c2ncccc2F)CC1 ZINC000274753503 132203838 /nfs/dbraw/zinc/20/38/38/132203838.db2.gz PWKGWMNLLZBYCM-UHFFFAOYSA-N 0 0 222.263 2.004 50 0 BEAARN Cc1ccc(N2C=CCC(C(N)=O)=C2)cc1 ZINC000004661777 132218304 /nfs/dbraw/zinc/21/83/04/132218304.db2.gz AKYRVZLYALGKEA-UHFFFAOYSA-N 0 0 214.268 2.088 50 0 BEAARN CN(C)C(=O)N1CCCc2ccccc21 ZINC000005508865 132242923 /nfs/dbraw/zinc/24/29/23/132242923.db2.gz RHJCXVSEEULEGT-UHFFFAOYSA-N 0 0 204.273 2.121 50 0 BEAARN O=C(c1ccncc1)N1CCOc2ccccc21 ZINC000040090298 132296174 /nfs/dbraw/zinc/29/61/74/132296174.db2.gz NFAOAMUVQMMSEA-UHFFFAOYSA-N 0 0 240.262 2.121 50 0 BEAARN Fc1cnc(N2CCC(=C3CC3)CC2)nc1 ZINC000253396440 132304045 /nfs/dbraw/zinc/30/40/45/132304045.db2.gz DTZROGRKUVNMSZ-UHFFFAOYSA-N 0 0 219.263 2.306 50 0 BEAARN Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000000339478 132313441 /nfs/dbraw/zinc/31/34/41/132313441.db2.gz DZEZKCZKDBIQSW-UHFFFAOYSA-N 0 0 246.232 2.124 50 0 BEAARN c1ccc2nc(N3CCOCC3)ccc2c1 ZINC000000400077 132313468 /nfs/dbraw/zinc/31/34/68/132313468.db2.gz HKSKLECHCQBNJQ-UHFFFAOYSA-N 0 0 214.268 2.071 50 0 BEAARN CC(C)(C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000003200107 132315492 /nfs/dbraw/zinc/31/54/92/132315492.db2.gz RUJIJJCLMFJKEE-UHFFFAOYSA-N 0 0 246.354 2.381 50 0 BEAARN CN1CCN(C)c2cc(Br)ccc21 ZINC000012370219 132321140 /nfs/dbraw/zinc/32/11/40/132321140.db2.gz BVWZHBZUOICVIU-UHFFFAOYSA-N 0 0 241.132 2.335 50 0 BEAARN COCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012527715 132321437 /nfs/dbraw/zinc/32/14/37/132321437.db2.gz OZBIXCOKYBJNAH-UHFFFAOYSA-N 0 0 248.326 2.262 50 0 BEAARN C[C@@H]1CN(c2ncnc3sccc32)C[C@H](C)O1 ZINC000012410513 132321445 /nfs/dbraw/zinc/32/14/45/132321445.db2.gz LCEVDAZWVBWVKB-DTORHVGOSA-N 0 0 249.339 2.305 50 0 BEAARN CCC(CC)C(=O)N1CC(=O)Nc2ccccc21 ZINC000015859056 132323067 /nfs/dbraw/zinc/32/30/67/132323067.db2.gz AFQCUALCBMWQDC-UHFFFAOYSA-N 0 0 246.310 2.408 50 0 BEAARN CC(=O)c1ccc(N2CCO[C@@H](C)C2)c(F)c1 ZINC000019871014 132328228 /nfs/dbraw/zinc/32/82/28/132328228.db2.gz VFDURTIEEHFFHB-VIFPVBQESA-N 0 0 237.274 2.253 50 0 BEAARN CCN1CNC(=S)N(c2cccc(C)c2C)C1 ZINC000020190982 132330053 /nfs/dbraw/zinc/33/00/53/132330053.db2.gz DCADRRFPIYCBTM-UHFFFAOYSA-N 0 0 249.383 2.235 50 0 BEAARN CC[C@@H]1CCCCN1c1ncccc1N ZINC000020317244 132331284 /nfs/dbraw/zinc/33/12/84/132331284.db2.gz SPUFTYVJANTLIY-SNVBAGLBSA-N 0 0 205.305 2.433 50 0 BEAARN Cc1cc(N2CCSCC2)ccc1N ZINC000035277567 132338000 /nfs/dbraw/zinc/33/80/00/132338000.db2.gz XEJNWQFAOCDDTQ-UHFFFAOYSA-N 0 0 208.330 2.130 50 0 BEAARN O=C(NC1CC1)N1CCCc2ccccc21 ZINC000036178995 132340787 /nfs/dbraw/zinc/34/07/87/132340787.db2.gz MCUCXBUBAABVMM-UHFFFAOYSA-N 0 0 216.284 2.311 50 0 BEAARN C[C@@H]1C[C@@H](N2CCCc3ccccc32)C(=O)O1 ZINC000036396610 132342282 /nfs/dbraw/zinc/34/22/82/132342282.db2.gz YWQFJMKZRJTAKW-ZWNOBZJWSA-N 0 0 231.295 2.143 50 0 BEAARN COC(=O)c1cc(N)ccc1N1CCCCC1 ZINC000041082156 132349424 /nfs/dbraw/zinc/34/94/24/132349424.db2.gz GDVWBKZDTDVVAL-UHFFFAOYSA-N 0 0 234.299 2.046 50 0 BEAARN C[C@H]1CCCN(c2ncccc2C(=O)N(C)C)C1 ZINC000064552319 132389642 /nfs/dbraw/zinc/38/96/42/132389642.db2.gz HSHKLRMIJDRGKY-NSHDSACASA-N 0 0 247.342 2.020 50 0 BEAARN COC[C@H]1CCCN(c2cccc(F)n2)C1 ZINC000079089846 132412072 /nfs/dbraw/zinc/41/20/72/132412072.db2.gz GCHFXAPITXSJPF-JTQLQIEISA-N 0 0 224.279 2.084 50 0 BEAARN FC(F)(F)c1nccc(N2CCSCC2)n1 ZINC000091694035 132429034 /nfs/dbraw/zinc/42/90/34/132429034.db2.gz VRFKMQKHLLOHFM-UHFFFAOYSA-N 0 0 249.261 2.049 50 0 BEAARN O=Cc1cncc(N2CCC(F)(F)CC2)c1 ZINC000169725600 132445514 /nfs/dbraw/zinc/44/55/14/132445514.db2.gz FVCYZDZLIARPQT-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN O=C(Nc1nncs1)[C@H]1CCC[C@H](F)C1 ZINC000335099069 133764573 /nfs/dbraw/zinc/76/45/73/133764573.db2.gz UAQPOMBAGPFOBD-BQBZGAKWSA-N 0 0 229.280 2.005 50 0 BEAARN C[C@@H]1C[C@@H](NC(=O)CC(C)(F)F)CS1 ZINC000335268512 133824388 /nfs/dbraw/zinc/82/43/88/133824388.db2.gz UEAPVCMEEPNAOO-RNFRBKRXSA-N 0 0 223.288 2.042 50 0 BEAARN C[C@@H]1C[C@H](NC(=O)CC(C)(F)F)CS1 ZINC000335268513 133824409 /nfs/dbraw/zinc/82/44/09/133824409.db2.gz UEAPVCMEEPNAOO-RQJHMYQMSA-N 0 0 223.288 2.042 50 0 BEAARN O=C([C@H]1CC=CCC1)N1CC(CC(F)F)C1 ZINC000335490615 133864831 /nfs/dbraw/zinc/86/48/31/133864831.db2.gz XJOOBWUNMFQRFV-JTQLQIEISA-N 0 0 229.270 2.456 50 0 BEAARN Cc1cc[nH]c1C(=O)N1CC(CC(F)F)C1 ZINC000335507229 133870088 /nfs/dbraw/zinc/87/00/88/133870088.db2.gz LJMCHIANTOEKIW-UHFFFAOYSA-N 0 0 228.242 2.050 50 0 BEAARN CCC1(CC)CCN(C(=O)C2(COC)CC2)C1 ZINC000351944825 134015211 /nfs/dbraw/zinc/01/52/11/134015211.db2.gz XEWYOGIZDMJYBO-UHFFFAOYSA-N 0 0 239.359 2.452 50 0 BEAARN Cc1[nH]nc(C(F)F)c1NC(=O)C(C)C ZINC000335949229 134021276 /nfs/dbraw/zinc/02/12/76/134021276.db2.gz IVPLLTBGESHOEW-UHFFFAOYSA-N 0 0 217.219 2.250 50 0 BEAARN CC[C@H](C)N(C)C(=O)c1cnc2onc(C)c2c1 ZINC000059892168 134790898 /nfs/dbraw/zinc/79/08/98/134790898.db2.gz OKQYFFCZGROPOY-QMMMGPOBSA-N 0 0 247.298 2.402 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCOC1 ZINC000246158872 134878928 /nfs/dbraw/zinc/87/89/28/134878928.db2.gz NQPNPEVKUAGVCJ-YVECIDJPSA-N 0 0 237.343 2.203 50 0 BEAARN Cc1oc(-c2ccsc2)nc1Cn1cncn1 ZINC000072292449 134934231 /nfs/dbraw/zinc/93/42/31/134934231.db2.gz RZLWONJBUFHEIN-UHFFFAOYSA-N 0 0 246.295 2.351 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCO1 ZINC000252162849 135085589 /nfs/dbraw/zinc/08/55/89/135085589.db2.gz QAXXGJLIECIBIL-YVECIDJPSA-N 0 0 237.343 2.345 50 0 BEAARN CCC1C[NH+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000086684241 135093382 /nfs/dbraw/zinc/09/33/82/135093382.db2.gz WCFLNPHWUKVMIK-UHFFFAOYSA-N 0 0 219.284 2.227 50 0 BEAARN CC(C)NC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000257176459 135099229 /nfs/dbraw/zinc/09/92/29/135099229.db2.gz CPEKLCHIFFPRTD-CYBMUJFWSA-N 0 0 248.326 2.258 50 0 BEAARN O=C([O-])C1CC[NH+](CCC2CCCC2)CC1 ZINC000078526336 135129077 /nfs/dbraw/zinc/12/90/77/135129077.db2.gz UBFOOUGSRGMZSN-UHFFFAOYSA-N 0 0 225.332 2.363 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCCO2)C1 ZINC000257365109 135131361 /nfs/dbraw/zinc/13/13/61/135131361.db2.gz ZWXNZDNOVGQVNM-NTZNESFSSA-N 0 0 225.332 2.250 50 0 BEAARN COc1cccc(CN(C)Cc2cncn2C)c1 ZINC000267030123 135151091 /nfs/dbraw/zinc/15/10/91/135151091.db2.gz DWEKDSINQCZIMY-UHFFFAOYSA-N 0 0 245.326 2.061 50 0 BEAARN CC(C)C(C[N@@H+]1CC[C@@H](C(=O)[O-])C1)C(C)C ZINC000261566459 135208318 /nfs/dbraw/zinc/20/83/18/135208318.db2.gz DPPRESAVFSXEPX-LLVKDONJSA-N 0 0 227.348 2.321 50 0 BEAARN CNC(=O)CS[C@@H](C)CCc1ccccc1 ZINC000079385090 135310604 /nfs/dbraw/zinc/31/06/04/135310604.db2.gz DGWLRGFGXLTPCC-NSHDSACASA-N 0 0 237.368 2.487 50 0 BEAARN Cc1nc(C(C)C)sc1C(=O)NC1CC1 ZINC000084062090 135463592 /nfs/dbraw/zinc/46/35/92/135463592.db2.gz GSYUNFNMNNZYTF-UHFFFAOYSA-N 0 0 224.329 2.467 50 0 BEAARN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC1 ZINC000089927768 135542623 /nfs/dbraw/zinc/54/26/23/135542623.db2.gz MKYQDKMNUFRQNX-NEPJUHHUSA-N 0 0 225.332 2.204 50 0 BEAARN O=C1[C@@H](SC2CCCC2)CCN1C1CC1 ZINC000089818170 135542637 /nfs/dbraw/zinc/54/26/37/135542637.db2.gz PIBOISKLYNDWTH-NSHDSACASA-N 0 0 225.357 2.426 50 0 BEAARN Cc1ccc(NC(=O)c2cc(F)c[nH]2)cn1 ZINC000334965021 135852658 /nfs/dbraw/zinc/85/26/58/135852658.db2.gz SOLZPBFWTJXQET-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN O=C(N[C@H]1CC[C@@H](F)C1)c1cccs1 ZINC000335316404 136025127 /nfs/dbraw/zinc/02/51/27/136025127.db2.gz NNCGANMDTDTWMC-SFYZADRCSA-N 0 0 213.277 2.369 50 0 BEAARN Cc1cc(F)ccc1[C@H]1CCCN1C(N)=O ZINC000335392567 136091308 /nfs/dbraw/zinc/09/13/08/136091308.db2.gz LHULEOZLFGQDIW-LLVKDONJSA-N 0 0 222.263 2.350 50 0 BEAARN C[C@@]1(C(=O)Nc2cccnc2)CC1(F)F ZINC000335561067 136106423 /nfs/dbraw/zinc/10/64/23/136106423.db2.gz IOHZLOWKSCTJMY-VIFPVBQESA-N 0 0 212.199 2.065 50 0 BEAARN O=C(N[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000335578566 136111506 /nfs/dbraw/zinc/11/15/06/136111506.db2.gz ZMSAUDXBBRZQEU-IUCAKERBSA-N 0 0 211.211 2.070 50 0 BEAARN CC[C@H](N[C@H]1CCCSC1)c1noc(C)n1 ZINC000097370983 397928925 /nfs/dbraw/zinc/92/89/25/397928925.db2.gz PMAVAISMEZLQPN-UWVGGRQHSA-N 0 0 241.360 2.314 50 0 BEAARN CCONC(=O)CCc1cc(Cl)cs1 ZINC000070041055 397965401 /nfs/dbraw/zinc/96/54/01/397965401.db2.gz NBVABGMSHJNLQJ-UHFFFAOYSA-N 0 0 233.720 2.402 50 0 BEAARN Cc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000000029231 397913921 /nfs/dbraw/zinc/91/39/21/397913921.db2.gz FCFYFBNLUQFPCH-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN CC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000000029798 397913951 /nfs/dbraw/zinc/91/39/51/397913951.db2.gz PYYFWHKFMKTHDQ-UHFFFAOYSA-N 0 0 205.257 2.484 50 0 BEAARN COC(=O)c1ccc(Cn2cccc2C=O)cc1 ZINC000020447590 397964649 /nfs/dbraw/zinc/96/46/49/397964649.db2.gz BECUPNSFEBPTCD-UHFFFAOYSA-N 0 0 243.262 2.136 50 0 BEAARN Cc1nnc2sc(Nc3ccccc3)nn12 ZINC000004063927 397926370 /nfs/dbraw/zinc/92/63/70/397926370.db2.gz VWAMTBWNXMAETA-UHFFFAOYSA-N 0 0 231.284 2.238 50 0 BEAARN Clc1cccc(Cl)c1Oc1nn[nH]n1 ZINC000006861734 397926816 /nfs/dbraw/zinc/92/68/16/397926816.db2.gz WYIAKPLMRCFLSN-UHFFFAOYSA-N 0 0 231.042 2.299 50 0 BEAARN c1cnc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)nc1 ZINC000268943431 397998307 /nfs/dbraw/zinc/99/83/07/397998307.db2.gz GKMUPXMFIMYWSE-MGPQQGTHSA-N 0 0 237.306 2.474 50 0 BEAARN Cc1cnn(C)c1CN1CCC[C@@](C)(F)C1 ZINC000295578218 398005874 /nfs/dbraw/zinc/00/58/74/398005874.db2.gz BGSAZKPDUDDZDP-GFCCVEGCSA-N 0 0 225.311 2.053 50 0 BEAARN CCSc1ccccc1NS(C)(=O)=O ZINC000033359595 398010834 /nfs/dbraw/zinc/01/08/34/398010834.db2.gz NFBRBNWKTJDCAA-UHFFFAOYSA-N 0 0 231.342 2.170 50 0 BEAARN CCc1ccccc1O[C@H](C)C(=O)N(C)C ZINC000033359560 398010852 /nfs/dbraw/zinc/01/08/52/398010852.db2.gz OCOHLQIHCFHJPH-SNVBAGLBSA-N 0 0 221.300 2.105 50 0 BEAARN Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000048368146 398011592 /nfs/dbraw/zinc/01/15/92/398011592.db2.gz CTKZZOKQHZDHHB-CQSZACIVSA-N 0 0 249.354 2.139 50 0 BEAARN O=C([O-])C[NH2+]Cc1cccc2ccccc21 ZINC000034959553 398017724 /nfs/dbraw/zinc/01/77/24/398017724.db2.gz SJMGAVPYTBYRIZ-UHFFFAOYSA-N 0 0 215.252 2.014 50 0 BEAARN CCONC(=O)Cc1ccc2ccccc2c1 ZINC000022874352 397976486 /nfs/dbraw/zinc/97/64/86/397976486.db2.gz BWXLFYJWDBZZET-UHFFFAOYSA-N 0 0 229.279 2.450 50 0 BEAARN C[C@H](NC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000032779593 397981219 /nfs/dbraw/zinc/98/12/19/397981219.db2.gz ORVMNWRTDGUJFL-JQWIXIFHSA-N 0 0 234.299 2.376 50 0 BEAARN CCCCNC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000002811969 398094243 /nfs/dbraw/zinc/09/42/43/398094243.db2.gz SGVTYGFNJXDUOE-QWRGUYRKSA-N 0 0 212.337 2.474 50 0 BEAARN CC(C)CCC[C@@H](C)NC(=O)N1CCOCC1 ZINC000004677259 398084767 /nfs/dbraw/zinc/08/47/67/398084767.db2.gz ALLWUWDKQBTPQE-GFCCVEGCSA-N 0 0 242.363 2.243 50 0 BEAARN CCc1ccc(C(=O)Nc2cn[nH]c2)cc1 ZINC000035237602 398108372 /nfs/dbraw/zinc/10/83/72/398108372.db2.gz CRSCAHHLJZPVPX-UHFFFAOYSA-N 0 0 215.256 2.224 50 0 BEAARN Nc1nc2scc(-c3ccccc3)n2n1 ZINC000031891201 398111228 /nfs/dbraw/zinc/11/12/28/398111228.db2.gz ZMXWKNBPMUFSMV-UHFFFAOYSA-N 0 0 216.269 2.040 50 0 BEAARN OCCC[C@@H]1Nc2ccccc2[C@@H]2OCC[C@H]21 ZINC000198699063 398111541 /nfs/dbraw/zinc/11/15/41/398111541.db2.gz FQGNBLGCJWXWPK-UBHSHLNASA-N 0 0 233.311 2.331 50 0 BEAARN CC(C)(C)c1csc(SCC(N)=O)n1 ZINC000004668940 398113784 /nfs/dbraw/zinc/11/37/84/398113784.db2.gz QWBNKVHBNWOBME-UHFFFAOYSA-N 0 0 230.358 2.018 50 0 BEAARN O=C(c1ccco1)n1nnc2cc(Cl)ccc21 ZINC000003670115 398114147 /nfs/dbraw/zinc/11/41/47/398114147.db2.gz AQHFMOQQOWASMK-UHFFFAOYSA-N 0 0 247.641 2.366 50 0 BEAARN CC(=O)c1ccc(N)cc1Br ZINC000070042570 398124723 /nfs/dbraw/zinc/12/47/23/398124723.db2.gz NEVFEOKSKAIEFS-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN CC(C)N1CN(C(C)C)CN(C(C)C)C1 ZINC000019325815 167028562 /nfs/dbraw/zinc/02/85/62/167028562.db2.gz FBXRCTMIDHCRDT-UHFFFAOYSA-N 0 0 213.369 2.004 50 0 BEAARN CSc1ccc(-c2nnc(N)o2)cc1 ZINC000026423860 322868547 /nfs/dbraw/zinc/86/85/47/322868547.db2.gz SOGIABAPIYSLGL-UHFFFAOYSA-N 0 0 207.258 2.041 50 0 BEAARN COc1c(Br)ccc(F)c1C=O ZINC000090413346 174917763 /nfs/dbraw/zinc/91/77/63/174917763.db2.gz DDBHANVMIQFWEO-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN CC[C@@H]1CN(c2cc(C)nc(C)n2)[C@@H](CC)CO1 ZINC000585090487 487573543 /nfs/dbraw/zinc/57/35/43/487573543.db2.gz UHYJQRWKWORXLO-QWHCGFSZSA-N 0 0 249.358 2.487 50 0 BEAARN c1c(-c2ccccc2)nnn1C1CCOCC1 ZINC000585362085 487583637 /nfs/dbraw/zinc/58/36/37/487583637.db2.gz BUYYVRCUJUHBML-UHFFFAOYSA-N 0 0 229.283 2.297 50 0 BEAARN CCS(=O)(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000072286628 409737889 /nfs/dbraw/zinc/73/78/89/409737889.db2.gz TUBAWLGSBMYHQX-JTQLQIEISA-N 0 0 243.328 2.075 50 0 BEAARN Brc1cc(Br)ncn1 ZINC000012359381 166095603 /nfs/dbraw/zinc/09/56/03/166095603.db2.gz CEPVZSXIONCAJV-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN Brc1ccc(N2CCCC2)nc1 ZINC000019721246 166097798 /nfs/dbraw/zinc/09/77/98/166097798.db2.gz MEVCTGBLQDZPFZ-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN CCc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)o1 ZINC000046437210 410119652 /nfs/dbraw/zinc/11/96/52/410119652.db2.gz WLRMJTPTUDAEKF-NXEZZACHSA-N 0 0 237.299 2.091 50 0 BEAARN Brc1ccc2nnc(C3CC3)n2c1 ZINC000082329797 166099744 /nfs/dbraw/zinc/09/97/44/166099744.db2.gz ZWOJTEGIQBVJBI-UHFFFAOYSA-N 0 0 238.088 2.369 50 0 BEAARN Brc1ccccc1C1OCCO1 ZINC000002530752 166102669 /nfs/dbraw/zinc/10/26/69/166102669.db2.gz IWSGKSUCFVOWQU-UHFFFAOYSA-N 0 0 229.073 2.495 50 0 BEAARN Brc1ccnc(N2CCSC2)c1 ZINC000169725474 166102677 /nfs/dbraw/zinc/10/26/77/166102677.db2.gz FTFITAXFVJDVRB-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN Brc1cncc(C2=NCCC2)c1 ZINC000071619201 166104259 /nfs/dbraw/zinc/10/42/59/166104259.db2.gz JENATANFRDRZCY-UHFFFAOYSA-N 0 0 225.089 2.427 50 0 BEAARN Brc1ccnc(N2CCCC2)c1 ZINC000044118476 166103467 /nfs/dbraw/zinc/10/34/67/166103467.db2.gz POSHCKSYISAKHI-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Brc1cnn(-c2nccs2)c1 ZINC000038074905 166106978 /nfs/dbraw/zinc/10/69/78/166106978.db2.gz QNSYQSPKBSGFIM-UHFFFAOYSA-N 0 0 230.090 2.091 50 0 BEAARN CCN(CC)C(=O)/C=C/c1ccc(C)o1 ZINC000005470454 169743923 /nfs/dbraw/zinc/74/39/23/169743923.db2.gz QJUMLZXFYRYSJP-CMDGGOBGSA-N 0 0 207.273 2.470 50 0 BEAARN CCN(CC)C(=O)COc1ccccc1C ZINC000000584506 169750309 /nfs/dbraw/zinc/75/03/09/169750309.db2.gz WCDJLQHBCXERCP-UHFFFAOYSA-N 0 0 221.300 2.242 50 0 BEAARN CCN(CC)C(=O)COc1cccc(C)c1 ZINC000000584318 169750345 /nfs/dbraw/zinc/75/03/45/169750345.db2.gz BHBRYRNAZCSUIO-UHFFFAOYSA-N 0 0 221.300 2.242 50 0 BEAARN CCN(CC)C(=O)CSc1ccc(C)cn1 ZINC000071918208 169750418 /nfs/dbraw/zinc/75/04/18/169750418.db2.gz PAUMUDYDPYDNOA-UHFFFAOYSA-N 0 0 238.356 2.351 50 0 BEAARN CC(=O)c1c2cc(C)ccc2n(C)c1O ZINC000096026248 166436078 /nfs/dbraw/zinc/43/60/78/166436078.db2.gz ODLKCJBQTDJMIG-UHFFFAOYSA-N 0 0 203.241 2.395 50 0 BEAARN CCN(CC)C(=O)c1sc(C)nc1C ZINC000005597824 169761427 /nfs/dbraw/zinc/76/14/27/169761427.db2.gz VCJTXNMDPJMXJH-UHFFFAOYSA-N 0 0 212.318 2.242 50 0 BEAARN CC(=O)n1cc(-c2nc3ccccc3o2)cn1 ZINC000003159016 166494681 /nfs/dbraw/zinc/49/46/81/166494681.db2.gz KBNQARFNUZEIKY-UHFFFAOYSA-N 0 0 227.223 2.351 50 0 BEAARN CC(C)(C(N)=O)c1ccc(Br)cc1 ZINC000019093241 166514438 /nfs/dbraw/zinc/51/44/38/166514438.db2.gz MNLVTOOFPHQBHB-UHFFFAOYSA-N 0 0 242.116 2.212 50 0 BEAARN CC(C)(C)CC(=O)NC[C@@](C)(O)c1ccccc1 ZINC000070639504 166550044 /nfs/dbraw/zinc/55/00/44/166550044.db2.gz ADUXJRVKKJUCRG-OAHLLOKOSA-N 0 0 249.354 2.447 50 0 BEAARN CC(C)(C)NC(=O)/C=C/c1cccnc1 ZINC000036398012 166611820 /nfs/dbraw/zinc/61/18/20/166611820.db2.gz AQVNATJTIUQCDP-VOTSOKGWSA-N 0 0 204.273 2.010 50 0 BEAARN CC(C)(C)NC(=O)c1ccn(-c2ccccc2)n1 ZINC000032967575 166626880 /nfs/dbraw/zinc/62/68/80/166626880.db2.gz WBDCEDFFKMCJAA-UHFFFAOYSA-N 0 0 243.310 2.401 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1 ZINC000040448691 166645726 /nfs/dbraw/zinc/64/57/26/166645726.db2.gz MXCAGVCUIHYAGH-UHFFFAOYSA-N 0 0 227.304 2.223 50 0 BEAARN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](O)C1 ZINC000072233471 166658766 /nfs/dbraw/zinc/65/87/66/166658766.db2.gz YEWSLYNGBGAZEV-LBPRGKRZSA-N 0 0 249.310 2.471 50 0 BEAARN CC(C)(C)OC(=O)NCc1cncc(Cl)n1 ZINC000146772109 166663973 /nfs/dbraw/zinc/66/39/73/166663973.db2.gz UOLVHJGYSHBODW-UHFFFAOYSA-N 0 0 243.694 2.155 50 0 BEAARN CC(C)CC(=O)N1C[C@@H](C)OCC1(C)C ZINC000036075948 166763379 /nfs/dbraw/zinc/76/33/79/166763379.db2.gz RBTFNODWFDGSIA-SNVBAGLBSA-N 0 0 213.321 2.058 50 0 BEAARN CC(C)CCNC(=O)[C@H]1COc2ccccc2C1 ZINC000015786109 166853846 /nfs/dbraw/zinc/85/38/46/166853846.db2.gz SPGATVATPFZQBA-CYBMUJFWSA-N 0 0 247.338 2.400 50 0 BEAARN CC(C)CCNC(=O)c1cc2ccncc2[nH]1 ZINC000075483455 166855369 /nfs/dbraw/zinc/85/53/69/166855369.db2.gz KFHIFDZNCXJPCX-UHFFFAOYSA-N 0 0 231.299 2.339 50 0 BEAARN CC(C)CCOc1cccc(CC(N)=O)c1 ZINC000085261620 166883354 /nfs/dbraw/zinc/88/33/54/166883354.db2.gz FTFUPLNGAHUKMV-UHFFFAOYSA-N 0 0 221.300 2.139 50 0 BEAARN Cc1cccc(-c2nc(C(C)C)no2)c1N ZINC000103421973 410892938 /nfs/dbraw/zinc/89/29/38/410892938.db2.gz TYQPVYPJSANJKS-BTWZHFOESA-N 0 0 217.272 2.323 50 0 BEAARN CC(C)COC(=O)n1c2ccccc2oc1=O ZINC000000517330 167022763 /nfs/dbraw/zinc/02/27/63/167022763.db2.gz AUOCWXRAIMAMOY-UHFFFAOYSA-N 0 0 235.239 2.235 50 0 biogenic BEAARN CC(C)N1C[C@H](c2nc3ccccc3[nH]2)CC1=O ZINC000007425177 167035149 /nfs/dbraw/zinc/03/51/49/167035149.db2.gz RDIHBFMADCVDQR-SNVBAGLBSA-N 0 0 243.310 2.287 50 0 BEAARN CC(C)NC(=O)C1(c2ccccc2)CC1 ZINC000012973907 167036718 /nfs/dbraw/zinc/03/67/18/167036718.db2.gz CYRRLIBHCRJMNR-UHFFFAOYSA-N 0 0 203.285 2.243 50 0 BEAARN CC(C)NC(=O)CNc1ccc(Cl)cc1F ZINC000008776790 167061559 /nfs/dbraw/zinc/06/15/59/167061559.db2.gz KLZIMHUBLSIIPW-UHFFFAOYSA-N 0 0 244.697 2.416 50 0 BEAARN CC(C)NC(=O)NCCCc1cccc(F)c1 ZINC000069038684 167071825 /nfs/dbraw/zinc/07/18/25/167071825.db2.gz BOOHHDKUJNAJPA-UHFFFAOYSA-N 0 0 238.306 2.466 50 0 BEAARN CC(C)NC(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000003907761 167084882 /nfs/dbraw/zinc/08/48/82/167084882.db2.gz NHSXOXHBBAFIDD-UHFFFAOYSA-N 0 0 246.266 2.185 50 0 BEAARN CC(C)NC(=O)c1cc(N)ccc1Cl ZINC000008732439 167085609 /nfs/dbraw/zinc/08/56/09/167085609.db2.gz UHILNFUOROREHQ-UHFFFAOYSA-N 0 0 212.680 2.060 50 0 BEAARN CC(C)NC(=O)c1ccc(Br)o1 ZINC000000369342 167087900 /nfs/dbraw/zinc/08/79/00/167087900.db2.gz JYCQSQCZAHQASJ-UHFFFAOYSA-N 0 0 232.077 2.180 50 0 BEAARN CC(C)NC(=O)c1ccc(OC(C)C)nc1 ZINC000032477097 167088260 /nfs/dbraw/zinc/08/82/60/167088260.db2.gz IZFKDJTUOHTKMF-UHFFFAOYSA-N 0 0 222.288 2.007 50 0 BEAARN CC(C)NC(=O)c1cn(-c2ccccc2)cn1 ZINC000227115869 167089479 /nfs/dbraw/zinc/08/94/79/167089479.db2.gz QWAZRYSMUDICAC-UHFFFAOYSA-N 0 0 229.283 2.011 50 0 BEAARN CC(C)NC(=O)c1ccn(C2CCCC2)n1 ZINC000032611575 167089655 /nfs/dbraw/zinc/08/96/55/167089655.db2.gz SKSPRCPHPLWZLU-UHFFFAOYSA-N 0 0 221.304 2.136 50 0 BEAARN CC(C)NC(=O)c1ccccc1NC(=O)C1CC1 ZINC000014009175 167090062 /nfs/dbraw/zinc/09/00/62/167090062.db2.gz IOVPTDMJPWYYLN-UHFFFAOYSA-N 0 0 246.310 2.173 50 0 BEAARN CC(C)NC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000012865263 167090186 /nfs/dbraw/zinc/09/01/86/167090186.db2.gz PXBLXYLIJMOLCW-UHFFFAOYSA-N 0 0 246.314 2.150 50 0 BEAARN CC(C)NC(=O)c1ccccc1NC(=O)C(C)C ZINC000027239681 167090806 /nfs/dbraw/zinc/09/08/06/167090806.db2.gz FLABBDWICAPLSL-UHFFFAOYSA-N 0 0 248.326 2.419 50 0 BEAARN CC(C)NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000012382647 167122797 /nfs/dbraw/zinc/12/27/97/167122797.db2.gz SHBMXJBTANSFBC-UHFFFAOYSA-N 0 0 247.747 2.168 50 0 BEAARN CC(C)Nc1ccc2nnc(C3CCC3)n2n1 ZINC000064543218 167146913 /nfs/dbraw/zinc/14/69/13/167146913.db2.gz IPNRLPLSYLUJQB-UHFFFAOYSA-N 0 0 231.303 2.212 50 0 BEAARN CC(C)OC(=O)CCCCC(=O)OC(C)C ZINC000001687490 167153629 /nfs/dbraw/zinc/15/36/29/167153629.db2.gz ZDQWESQEGGJUCH-UHFFFAOYSA-N 0 0 230.304 2.450 50 0 endogenous,in-man BEAARN CC(C)OC(=O)N(C)Cc1cscn1 ZINC000127189838 167161078 /nfs/dbraw/zinc/16/10/78/167161078.db2.gz XCZLQPOZEBLJHO-UHFFFAOYSA-N 0 0 214.290 2.120 50 0 BEAARN CC(C)OC(=O)c1ccc(Cl)c(N)c1 ZINC000009304516 167172914 /nfs/dbraw/zinc/17/29/14/167172914.db2.gz MODGZMKPTCPKSN-UHFFFAOYSA-N 0 0 213.664 2.487 50 0 BEAARN CC(C)OCCCNC(=O)c1cc(Cl)c[nH]1 ZINC000032819408 167220721 /nfs/dbraw/zinc/22/07/21/167220721.db2.gz MNNNJFRGEYVLEX-UHFFFAOYSA-N 0 0 244.722 2.213 50 0 BEAARN CC(C)OCCS[C@H]1CCO[C@@H]1C ZINC000163462785 167251508 /nfs/dbraw/zinc/25/15/08/167251508.db2.gz OWCVAVUYVZANER-ZJUUUORDSA-N 0 0 204.335 2.322 50 0 BEAARN CC(C)Oc1cc(N)c(N)cc1Br ZINC000095217869 167286215 /nfs/dbraw/zinc/28/62/15/167286215.db2.gz LKAOTQYXOHRAHK-UHFFFAOYSA-N 0 0 245.120 2.401 50 0 BEAARN CC(C)Oc1ccc(-c2nnc(N)o2)cc1 ZINC000043830189 167288870 /nfs/dbraw/zinc/28/88/70/167288870.db2.gz KNQKWCGXFNREML-UHFFFAOYSA-N 0 0 219.244 2.106 50 0 BEAARN CC(C)Oc1ccc(CNC(=O)C2=CCC2)cn1 ZINC000095456827 167294382 /nfs/dbraw/zinc/29/43/82/167294382.db2.gz JPSCQILNZDKZGH-UHFFFAOYSA-N 0 0 246.310 2.205 50 0 BEAARN CC(C)Sc1nncn1Cc1ccco1 ZINC000040480308 167339174 /nfs/dbraw/zinc/33/91/74/167339174.db2.gz IULMRHAQWYHAET-UHFFFAOYSA-N 0 0 223.301 2.420 50 0 BEAARN CC(C)[C@@H](C)N(C(=O)Nc1cn[nH]c1)C1CC1 ZINC000078991741 167362717 /nfs/dbraw/zinc/36/27/17/167362717.db2.gz RHSIJSFERFTTOA-SECBINFHSA-N 0 0 236.319 2.451 50 0 BEAARN CC(C)[C@@H](C)NC(=O)CC[C@H]1CCCO1 ZINC000040506176 167370738 /nfs/dbraw/zinc/37/07/38/167370738.db2.gz ACKJFZLEIUITEQ-GHMZBOCLSA-N 0 0 213.321 2.106 50 0 BEAARN CC(C)[C@@H](C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000023056267 167379115 /nfs/dbraw/zinc/37/91/15/167379115.db2.gz HQYBVHOAOLSZRR-SECBINFHSA-N 0 0 247.298 2.444 50 0 BEAARN CC(C)[C@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C ZINC000082348714 167518764 /nfs/dbraw/zinc/51/87/64/167518764.db2.gz JZWRCXLLTHEQOW-UWVGGRQHSA-N 0 0 229.320 2.013 50 0 BEAARN CC(C)c1cc(=O)n(CCOC(C)(C)C)cn1 ZINC000170592237 167558322 /nfs/dbraw/zinc/55/83/22/167558322.db2.gz MRQALJCPNKQOKI-UHFFFAOYSA-N 0 0 238.331 2.182 50 0 BEAARN CC(C)c1cc(C(=O)NC2CCCC2)on1 ZINC000064555278 167562412 /nfs/dbraw/zinc/56/24/12/167562412.db2.gz ZNVSEZRNXJTXBU-UHFFFAOYSA-N 0 0 222.288 2.470 50 0 BEAARN CC[C@@H](C)COC(=O)CN(C)[C@H]1CCSC1 ZINC000108151057 411142797 /nfs/dbraw/zinc/14/27/97/411142797.db2.gz YFJHOBSOVNLHLM-MNOVXSKESA-N 0 0 245.388 2.013 50 0 BEAARN CONC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000045037281 411143525 /nfs/dbraw/zinc/14/35/25/411143525.db2.gz RNGQNJJTYRQWPN-UHFFFAOYSA-N 0 0 248.326 2.212 50 0 BEAARN Clc1ccc2nncc(N3CCOCC3)c2c1 ZINC000046087306 411157099 /nfs/dbraw/zinc/15/70/99/411157099.db2.gz DMCUIVXGZVTHFQ-UHFFFAOYSA-N 0 0 249.701 2.120 50 0 BEAARN CC(C)c1nc(NCc2cscn2)n(C)n1 ZINC000097094797 167671740 /nfs/dbraw/zinc/67/17/40/167671740.db2.gz JYRPPUJKQLXTEZ-UHFFFAOYSA-N 0 0 237.332 2.007 50 0 BEAARN Cc1cccnc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000046974227 411097780 /nfs/dbraw/zinc/09/77/80/411097780.db2.gz NWUAMSWXXBPYIS-QWRGUYRKSA-N 0 0 249.314 2.079 50 0 BEAARN Cc1nnc2c3c4c(sc3ncn12)CCC4 ZINC000004020320 411187420 /nfs/dbraw/zinc/18/74/20/411187420.db2.gz FBMHMLOLGKNBDV-UHFFFAOYSA-N 0 0 230.296 2.136 50 0 BEAARN O=C(Nc1ncccc1O)[C@@H]1C[C@@H]1c1ccco1 ZINC000049398355 411232101 /nfs/dbraw/zinc/23/21/01/411232101.db2.gz FLKUXOREDIJGHN-DTWKUNHWSA-N 0 0 244.250 2.122 50 0 BEAARN O=C(Nc1ncccc1O)[C@H]1C[C@H]1c1ccco1 ZINC000049398361 411232253 /nfs/dbraw/zinc/23/22/53/411232253.db2.gz FLKUXOREDIJGHN-BDAKNGLRSA-N 0 0 244.250 2.122 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccnc(OC)c1 ZINC000042484109 167835444 /nfs/dbraw/zinc/83/54/44/167835444.db2.gz MTSHQDJJNQZPDR-BJMVGYQFSA-N 0 0 234.299 2.063 50 0 BEAARN C/C(=C/c1cnn2c1CCC2)c1cnccn1 ZINC000656612984 411311854 /nfs/dbraw/zinc/31/18/54/411311854.db2.gz POUBODSLWBFBLZ-YFHOEESVSA-N 0 0 226.283 2.180 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(C)(CCO)CC1 ZINC000038540655 168021856 /nfs/dbraw/zinc/02/18/56/168021856.db2.gz RXLUHODTRLEMKU-UHFFFAOYSA-N 0 0 243.347 2.406 50 0 BEAARN CC1(CNc2ccc(F)cc2F)COC1 ZINC000070616806 168048956 /nfs/dbraw/zinc/04/89/56/168048956.db2.gz FQOGFZGRAKWBSA-UHFFFAOYSA-N 0 0 213.227 2.413 50 0 BEAARN CC1=C(C)C[S@](=O)N(C(=O)c2ccccc2)C1 ZINC000006727316 168086993 /nfs/dbraw/zinc/08/69/93/168086993.db2.gz OSHRMIBSZLBLNL-QGZVFWFLSA-N 0 0 249.335 2.143 50 0 BEAARN CC1=N/C(=C/c2ccc(C)cc2)C(=O)O1 ZINC000002455540 168132634 /nfs/dbraw/zinc/13/26/34/168132634.db2.gz DRSAXSPSSHVKSE-YRNVUSSQSA-N 0 0 201.225 2.311 50 0 BEAARN Cc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 ZINC000100047782 168134472 /nfs/dbraw/zinc/13/44/72/168134472.db2.gz WHIXQFSPEDIMGL-UHFFFAOYSA-N 0 0 208.648 2.453 50 0 BEAARN CC1CC(NC(=O)N(C)CC2CCC2)C1 ZINC000104201965 168140649 /nfs/dbraw/zinc/14/06/49/168140649.db2.gz VPBPPXSFLGUXNW-UHFFFAOYSA-N 0 0 210.321 2.226 50 0 BEAARN CC1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000036175479 168176534 /nfs/dbraw/zinc/17/65/34/168176534.db2.gz CNHIWDQCDSWBJQ-UHFFFAOYSA-N 0 0 247.342 2.020 50 0 BEAARN CC1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000009745705 168178201 /nfs/dbraw/zinc/17/82/01/168178201.db2.gz KXTPCHKUMDQTER-UHFFFAOYSA-N 0 0 243.310 2.435 50 0 BEAARN CC1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000170618653 168188670 /nfs/dbraw/zinc/18/86/70/168188670.db2.gz MXTFEOILNJCINP-UHFFFAOYSA-N 0 0 246.285 2.328 50 0 BEAARN CCC(=O)NCCSc1ccccc1 ZINC000061082895 168229619 /nfs/dbraw/zinc/22/96/19/168229619.db2.gz SJVLKJASFKMYBB-UHFFFAOYSA-N 0 0 209.314 2.305 50 0 BEAARN CCC(=O)NCc1cc2ccccc2[nH]1 ZINC000021993568 168233126 /nfs/dbraw/zinc/23/31/26/168233126.db2.gz GDXWFXDMFOMGLV-UHFFFAOYSA-N 0 0 202.257 2.194 50 0 BEAARN CCC(=O)N[C@H]1CCCOc2ccccc21 ZINC000058343380 168240660 /nfs/dbraw/zinc/24/06/60/168240660.db2.gz FMYOLBFSOWFBGY-NSHDSACASA-N 0 0 219.284 2.427 50 0 BEAARN CCC(=O)Nc1cc(NC(C)=O)ccc1C ZINC000000367555 168243085 /nfs/dbraw/zinc/24/30/85/168243085.db2.gz GEUHUFFQKPNSCA-UHFFFAOYSA-N 0 0 220.272 2.302 50 0 BEAARN CCC(=O)OCc1cc2cc(C)ccc2[nH]c1=O ZINC000001261715 168250221 /nfs/dbraw/zinc/25/02/21/168250221.db2.gz NIQPKFJPBRSEIU-UHFFFAOYSA-N 0 0 245.278 2.290 50 0 BEAARN CCC(=O)c1cc2c(c(OC)c1)OCO2 ZINC000000487592 168254341 /nfs/dbraw/zinc/25/43/41/168254341.db2.gz VQZAATPWXSLYBI-UHFFFAOYSA-N 0 0 208.213 2.017 50 0 biogenic,in-vitro BEAARN CCC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000005459694 168254722 /nfs/dbraw/zinc/25/47/22/168254722.db2.gz CXCPJZXJNRBTGF-UHFFFAOYSA-N 0 0 210.229 2.002 50 0 BEAARN CCC(=O)n1nc(-c2ccco2)nc1SC ZINC000000618680 168259750 /nfs/dbraw/zinc/25/97/50/168259750.db2.gz BPZBMHZXZDGNSA-UHFFFAOYSA-N 0 0 237.284 2.310 50 0 BEAARN CCC(C)(C)NC(=O)/C=C\c1cccnc1 ZINC000096991454 168288783 /nfs/dbraw/zinc/28/87/83/168288783.db2.gz NZVOQSSBWQPIJO-FPLPWBNLSA-N 0 0 218.300 2.400 50 0 BEAARN CCC(C)(C)NC(=O)CN(C)c1ccccc1 ZINC000066696737 168289764 /nfs/dbraw/zinc/28/97/64/168289764.db2.gz FVTVIHZZQZQWAX-UHFFFAOYSA-N 0 0 234.343 2.428 50 0 BEAARN CCC(C)(C)NC(=O)c1cc(C2CC2)on1 ZINC000040489351 168296530 /nfs/dbraw/zinc/29/65/30/168296530.db2.gz OYJJFVALYTWFEX-UHFFFAOYSA-N 0 0 222.288 2.470 50 0 BEAARN CCC(C)(C)NC(=O)c1ccnc(N(C)C)c1 ZINC000040540545 168297445 /nfs/dbraw/zinc/29/74/45/168297445.db2.gz WWZOWRVQRLRQSV-UHFFFAOYSA-N 0 0 235.331 2.066 50 0 BEAARN CCC(C)(C)NS(=O)(=O)c1ccc(F)cc1 ZINC000004696295 168299260 /nfs/dbraw/zinc/29/92/60/168299260.db2.gz HKYDFJUIBUTKES-UHFFFAOYSA-N 0 0 245.319 2.293 50 0 BEAARN CCN1CCSc2sccc2C1=O ZINC000004013696 170006707 /nfs/dbraw/zinc/00/67/07/170006707.db2.gz CCTGONYYLHRNRB-UHFFFAOYSA-N 0 0 213.327 2.316 50 0 BEAARN CCN1CC[C@H]([C@](O)(CC)c2ccccc2)C1=O ZINC000071773750 170022905 /nfs/dbraw/zinc/02/29/05/170022905.db2.gz OIDPGAMWDJEUCU-ZFWWWQNUSA-N 0 0 247.338 2.153 50 0 BEAARN CCNC(=O)CCCc1ccc(OC)c(F)c1 ZINC000084523319 170049054 /nfs/dbraw/zinc/04/90/54/170049054.db2.gz XAGQZFBDEFLPTJ-UHFFFAOYSA-N 0 0 239.290 2.293 50 0 BEAARN CCNC(=O)COc1cccc2ccccc21 ZINC000003386278 170068818 /nfs/dbraw/zinc/06/88/18/170068818.db2.gz CCQQLLKTUMDRNM-UHFFFAOYSA-N 0 0 229.279 2.355 50 0 aggregator BEAARN CCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000049459828 170072625 /nfs/dbraw/zinc/07/26/25/170072625.db2.gz SKWNOCAIHZDUJE-ZYANWLCNSA-N 0 0 222.332 2.226 50 0 BEAARN CCNC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000038567310 170074538 /nfs/dbraw/zinc/07/45/38/170074538.db2.gz DXOMGLSOFUYSJV-GFCCVEGCSA-N 0 0 218.300 2.205 50 0 BEAARN CCNC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000038566758 170075219 /nfs/dbraw/zinc/07/52/19/170075219.db2.gz MWJMJPJFFJEVIN-LBPRGKRZSA-N 0 0 248.326 2.214 50 0 BEAARN CCNC(=O)NCCc1c[nH]c2ccccc12 ZINC000010029108 170079418 /nfs/dbraw/zinc/07/94/18/170079418.db2.gz FWXGOWHJWCIWMI-UHFFFAOYSA-N 0 0 231.299 2.030 50 0 BEAARN CCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000008049206 170096528 /nfs/dbraw/zinc/09/65/28/170096528.db2.gz AMHOTPAVHUHVIT-NSHDSACASA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)c1cc(C)nc2ccc(F)cc21 ZINC000008227057 170100103 /nfs/dbraw/zinc/10/01/03/170100103.db2.gz DRKMFDAFTYUPFX-UHFFFAOYSA-N 0 0 232.258 2.432 50 0 BEAARN CCNC(=O)c1cc(F)cc(Br)c1 ZINC000046738270 170100304 /nfs/dbraw/zinc/10/03/04/170100304.db2.gz HGTPCEZSTJYDFI-UHFFFAOYSA-N 0 0 246.079 2.338 50 0 BEAARN CCNC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000006655034 170100320 /nfs/dbraw/zinc/10/03/20/170100320.db2.gz MVKHGUMAHVHNRC-UHFFFAOYSA-N 0 0 243.690 2.107 50 0 BEAARN CCNC(=O)c1c(N)sc2c1CCCCC2 ZINC000004100670 170100410 /nfs/dbraw/zinc/10/04/10/170100410.db2.gz OAPRCRIUXLGPCE-UHFFFAOYSA-N 0 0 238.356 2.349 50 0 BEAARN CCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000008476326 170101374 /nfs/dbraw/zinc/10/13/74/170101374.db2.gz KUPARLNHSVBEGT-UHFFFAOYSA-N 0 0 243.310 2.239 50 0 BEAARN CCNC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000014012923 170103979 /nfs/dbraw/zinc/10/39/79/170103979.db2.gz KZDPQTGJZGLKEP-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN CCNC(=S)NCc1ccccc1OCC ZINC000001431589 170106050 /nfs/dbraw/zinc/10/60/50/170106050.db2.gz OGJRQERAIKYREH-UHFFFAOYSA-N 0 0 238.356 2.069 50 0 BEAARN CCNS(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000006401380 170137339 /nfs/dbraw/zinc/13/73/39/170137339.db2.gz ORDKAVWCIXFVGS-UHFFFAOYSA-N 0 0 247.747 2.255 50 0 BEAARN CCNc1nnc(-c2nn(C)cc2Cl)s1 ZINC000002743418 170179415 /nfs/dbraw/zinc/17/94/15/170179415.db2.gz UPODEPMGLKNDKV-UHFFFAOYSA-N 0 0 243.723 2.024 50 0 BEAARN CCOC(=O)/C=C/c1ccccc1OC ZINC000001624851 170183130 /nfs/dbraw/zinc/18/31/30/170183130.db2.gz ATAFSLBAINHGTN-CMDGGOBGSA-N 0 0 206.241 2.272 50 0 BEAARN CCOC(=O)C(=Cc1ccccc1)C(=O)OCC ZINC000001591829 170183582 /nfs/dbraw/zinc/18/35/82/170183582.db2.gz VUWPIBNKJSEYIN-UHFFFAOYSA-N 0 0 248.278 2.196 50 0 biogenic BEAARN CCOC(=O)C(=O)c1ccc(Cl)cc1C ZINC000085650771 170184570 /nfs/dbraw/zinc/18/45/70/170184570.db2.gz AVQOVHRZVGYJOD-UHFFFAOYSA-N 0 0 226.659 2.394 50 0 BEAARN CCOC(=O)C(=O)c1ccccc1SC ZINC000043209649 170184704 /nfs/dbraw/zinc/18/47/04/170184704.db2.gz ZHFMXXKGUGBAFU-UHFFFAOYSA-N 0 0 224.281 2.154 50 0 BEAARN CCOC(=O)C(=O)c1ccc(Cl)c(F)c1 ZINC000004255735 170184982 /nfs/dbraw/zinc/18/49/82/170184982.db2.gz WOSOIZKCUZXMBV-UHFFFAOYSA-N 0 0 230.622 2.225 50 0 BEAARN CCOC(=O)C(=O)c1ccc(Cl)s1 ZINC000034300872 170184988 /nfs/dbraw/zinc/18/49/88/170184988.db2.gz SAPAEGDTYVIFCE-UHFFFAOYSA-N 0 0 218.661 2.147 50 0 BEAARN CCOC(=O)CCC(=O)c1cccc(N(C)C)c1 ZINC000043214351 170198511 /nfs/dbraw/zinc/19/85/11/170198511.db2.gz YZYRRRNQYWZTKZ-UHFFFAOYSA-N 0 0 249.310 2.279 50 0 BEAARN CCOC(=O)CN1CCC(c2ccccc2)CC1 ZINC000004105074 170219187 /nfs/dbraw/zinc/21/91/87/170219187.db2.gz VSOBHNLGFWWYGW-UHFFFAOYSA-N 0 0 247.338 2.429 50 0 BEAARN CCOC(=O)CNC(=O)c1ccc(C(C)C)cc1 ZINC000002764038 170224790 /nfs/dbraw/zinc/22/47/90/170224790.db2.gz DLJJUJBMONUDSX-UHFFFAOYSA-N 0 0 249.310 2.103 50 0 BEAARN CCOC(=O)CNc1cccc(C)c1C ZINC000001732065 170228337 /nfs/dbraw/zinc/22/83/37/170228337.db2.gz OPERCKJVRMDHPG-UHFFFAOYSA-N 0 0 207.273 2.278 50 0 BEAARN CCOC(=O)COc1cccc(C)c1C ZINC000009659992 170229193 /nfs/dbraw/zinc/22/91/93/170229193.db2.gz ZECSUZBYOAVAIH-UHFFFAOYSA-N 0 0 208.257 2.245 50 0 BEAARN CCOC(=O)CSCc1ccccc1 ZINC000006594873 170229773 /nfs/dbraw/zinc/22/97/73/170229773.db2.gz GRUYTQCKCHPMJF-UHFFFAOYSA-N 0 0 210.298 2.483 50 0 BEAARN CCOC(=O)Cc1c(C)cc(F)cc1F ZINC000263623639 170234357 /nfs/dbraw/zinc/23/43/57/170234357.db2.gz JFRRWDUHXHSVBY-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1cc(F)c(OC)c(F)c1 ZINC000260144270 170235368 /nfs/dbraw/zinc/23/53/68/170235368.db2.gz RFWYEWOCTQMYEB-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cn1c(C)c(C=O)c2ccccc21 ZINC000000306183 170236671 /nfs/dbraw/zinc/23/66/71/170236671.db2.gz JKLASVCYZWSRKV-UHFFFAOYSA-N 0 0 245.278 2.325 50 0 BEAARN CCOC(=O)NC(=S)N1[C@@H](C)CCC[C@@H]1C ZINC000000172799 170240520 /nfs/dbraw/zinc/24/05/20/170240520.db2.gz GAEUDCPVCVEDNK-IUCAKERBSA-N 0 0 244.360 2.280 50 0 BEAARN CCOC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004902305 170244101 /nfs/dbraw/zinc/24/41/01/170244101.db2.gz FVFDXWOVEKUUGJ-UHFFFAOYSA-N 0 0 223.228 2.026 50 0 BEAARN CCOC(=O)[C@@H](CC(=O)c1ccccc1)C(C)=O ZINC000001757056 170250255 /nfs/dbraw/zinc/25/02/55/170250255.db2.gz YZRBASVLKZJUQM-LBPRGKRZSA-N 0 0 248.278 2.028 50 0 BEAARN CCOC(=O)[C@@H](CC)[C@H](O)c1ccccc1 ZINC000001095278 170250689 /nfs/dbraw/zinc/25/06/89/170250689.db2.gz MCJORAPHPVJYNZ-NWDGAFQWSA-N 0 0 222.284 2.309 50 0 BEAARN CCOC(=O)[C@@H]1CCc2nc(Cl)sc2C1 ZINC000096029264 170258881 /nfs/dbraw/zinc/25/88/81/170258881.db2.gz DRHJCGYWKNJZPL-ZCFIWIBFSA-N 0 0 245.731 2.465 50 0 BEAARN CCOC(=O)[C@@H]1CSC2(CCC(C)CC2)N1 ZINC000020405478 170259735 /nfs/dbraw/zinc/25/97/35/170259735.db2.gz OAAKTKDUHXPKJW-YZRBJQDESA-N 0 0 243.372 2.161 50 0 BEAARN CCOC(=O)[C@@]1(C)CCc2ccccc2C1=O ZINC000004557282 170262436 /nfs/dbraw/zinc/26/24/36/170262436.db2.gz ALLAHYCMLCUBEM-AWEZNQCLSA-N 0 0 232.279 2.385 50 0 BEAARN CCOC(=O)[C@H](C)Sc1ccc(C)cn1 ZINC000299475588 170269212 /nfs/dbraw/zinc/26/92/12/170269212.db2.gz DCGIGOKAXNDNSY-VIFPVBQESA-N 0 0 225.313 2.434 50 0 BEAARN CCOC(=O)C(=CC(Cl)Cl)C(C)=O ZINC000005125603 170270507 /nfs/dbraw/zinc/27/05/07/170270507.db2.gz GJQIXXRQPADXLU-ZCFIWIBFSA-N 0 0 225.071 2.074 50 0 BEAARN CCOC(=O)[C@H](NC(C)C)c1ccccc1 ZINC000037382445 170276771 /nfs/dbraw/zinc/27/67/71/170276771.db2.gz WZGRUDMGVCNMSW-GFCCVEGCSA-N 0 0 221.300 2.289 50 0 BEAARN CCOC(=O)C1=C(O)C2C[C@H]3CC1C[C@@H](C2)C3 ZINC000072233420 170279185 /nfs/dbraw/zinc/27/91/85/170279185.db2.gz YKVJWMKLQRKVNG-FESBJMALSA-N 0 0 236.311 2.191 50 0 BEAARN CCOC(=O)[C@H]1CC[C@@H](c2ccccc2)N1 ZINC000051971697 170281312 /nfs/dbraw/zinc/28/13/12/170281312.db2.gz BJOUEZQMVVKCPC-NWDGAFQWSA-N 0 0 219.284 2.043 50 0 BEAARN CCOC(=O)[C@H]1CS[C@H](c2ccsc2)N1 ZINC000098072891 170282369 /nfs/dbraw/zinc/28/23/69/170282369.db2.gz LRDCRUIGTYLONY-RKDXNWHRSA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)[C@H]1Oc2ccccc2N=C1C ZINC000261494511 170282804 /nfs/dbraw/zinc/28/28/04/170282804.db2.gz ZMXWOKDTEWBXDI-NSHDSACASA-N 0 0 219.240 2.103 50 0 BEAARN CCOC(=O)c1[nH]c2ccccc2c1C=O ZINC000000215825 170286329 /nfs/dbraw/zinc/28/63/29/170286329.db2.gz UHTMDXSOGQARCU-UHFFFAOYSA-N 0 0 217.224 2.157 50 0 BEAARN CCOC(=O)[C@]12CCc3ccccc3[C@H]1O2 ZINC000263623699 170286457 /nfs/dbraw/zinc/28/64/57/170286457.db2.gz JVOYMILFQDYZLC-YPMHNXCESA-N 0 0 218.252 2.006 50 0 BEAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1C=O ZINC000000489032 170286689 /nfs/dbraw/zinc/28/66/89/170286689.db2.gz XQDZGHNVSBDTSP-UHFFFAOYSA-N 0 0 247.250 2.166 50 0 biogenic BEAARN CCOC(=O)c1[nH]c2ccc(C)cc2c1C=O ZINC000002578547 170286821 /nfs/dbraw/zinc/28/68/21/170286821.db2.gz DOQMHUCEKZOCLX-UHFFFAOYSA-N 0 0 231.251 2.466 50 0 BEAARN CCOC(=O)c1[nH]c(-c2ccccc2)cc1N ZINC000029753720 170286872 /nfs/dbraw/zinc/28/68/72/170286872.db2.gz DJUKQRWPMVBJPJ-UHFFFAOYSA-N 0 0 230.267 2.441 50 0 BEAARN CCOC(=O)c1c(C)cc(OC)cc1OC ZINC000000391461 170287449 /nfs/dbraw/zinc/28/74/49/170287449.db2.gz LOYWUZHRCDPRSJ-UHFFFAOYSA-N 0 0 224.256 2.189 50 0 BEAARN CCOC(=O)c1c(C=O)c2ccccc2n1C ZINC000003913681 170288374 /nfs/dbraw/zinc/28/83/74/170288374.db2.gz BZNCZFAUVNDYFF-UHFFFAOYSA-N 0 0 231.251 2.168 50 0 BEAARN CCOC(=O)c1c(O)cccc1Cl ZINC000034204425 170289280 /nfs/dbraw/zinc/28/92/80/170289280.db2.gz ZTTKKVNUDLGBCI-UHFFFAOYSA-N 0 0 200.621 2.222 50 0 BEAARN CCOC(=O)c1c[nH]c2cncc(Cl)c12 ZINC000072193760 170289851 /nfs/dbraw/zinc/28/98/51/170289851.db2.gz BDJGZEWHTDMFSL-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1c[nH]nc1-c1ccccc1 ZINC000008700028 170289891 /nfs/dbraw/zinc/28/98/91/170289891.db2.gz LQIYWOVORITWEA-UHFFFAOYSA-N 0 0 216.240 2.253 50 0 BEAARN CCOC(=O)c1cc(C=O)c(SC)s1 ZINC000000330065 170291394 /nfs/dbraw/zinc/29/13/94/170291394.db2.gz XNXORZISRPTOKJ-UHFFFAOYSA-N 0 0 230.310 2.459 50 0 BEAARN CCOC(=O)c1cc(Cl)nc(Cl)c1N ZINC000095704709 170292080 /nfs/dbraw/zinc/29/20/80/170292080.db2.gz ZBHSEGWPJCOBKP-UHFFFAOYSA-N 0 0 235.070 2.147 50 0 BEAARN CCOC(=O)c1cc(F)c(F)cc1F ZINC000002243310 170292447 /nfs/dbraw/zinc/29/24/47/170292447.db2.gz YCDADJUAUJPWHD-UHFFFAOYSA-N 0 0 204.147 2.281 50 0 BEAARN CCOC(=O)c1cc(O)cc(Br)c1 ZINC000090470639 170292858 /nfs/dbraw/zinc/29/28/58/170292858.db2.gz GCHMYKMWYBHYSV-UHFFFAOYSA-N 0 0 245.072 2.331 50 0 BEAARN CCOC(=O)c1cc2c(cccc2F)[nH]1 ZINC000026894249 170292960 /nfs/dbraw/zinc/29/29/60/170292960.db2.gz ODEXIEZAUJDKKO-UHFFFAOYSA-N 0 0 207.204 2.484 50 0 BEAARN CCOC(=O)c1cc2ccc(C(=O)OC)cc2[nH]1 ZINC000002384089 170293629 /nfs/dbraw/zinc/29/36/29/170293629.db2.gz ORMUDDGEORTWGD-UHFFFAOYSA-N 0 0 247.250 2.131 50 0 BEAARN CCOC(=O)c1cc2c([nH]1)CC(C)(C)C2 ZINC000203903090 170293668 /nfs/dbraw/zinc/29/36/68/170293668.db2.gz FFRSZAKIQKRQED-UHFFFAOYSA-N 0 0 207.273 2.316 50 0 BEAARN CCOC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000000018736 170294237 /nfs/dbraw/zinc/29/42/37/170294237.db2.gz VIKOQTQMWBKMNA-UHFFFAOYSA-N 0 0 207.204 2.484 50 0 BEAARN CCOC(=O)c1ccc(CNc2ccon2)o1 ZINC000187892694 170295796 /nfs/dbraw/zinc/29/57/96/170295796.db2.gz MELBIQHJVFQQCK-UHFFFAOYSA-N 0 0 236.227 2.056 50 0 BEAARN CCOC(=O)c1ccc(N(CC)CC)c(N)c1 ZINC000041079738 170296324 /nfs/dbraw/zinc/29/63/24/170296324.db2.gz FIRCWGQINZGGCY-UHFFFAOYSA-N 0 0 236.315 2.292 50 0 BEAARN CCOC(=O)c1ccc(Oc2cnccn2)cc1 ZINC000000406000 170297495 /nfs/dbraw/zinc/29/74/95/170297495.db2.gz HOXZMVCKUMXCPS-UHFFFAOYSA-N 0 0 244.250 2.446 50 0 BEAARN CCOC(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000005009553 170297555 /nfs/dbraw/zinc/29/75/55/170297555.db2.gz IDVSHHVGDOUVIE-UHFFFAOYSA-N 0 0 231.251 2.013 50 0 BEAARN CCOC(=O)c1cccc(C(=O)C2CC2)c1 ZINC000002514270 170298531 /nfs/dbraw/zinc/29/85/31/170298531.db2.gz XYUIDONJVHHDRG-UHFFFAOYSA-N 0 0 218.252 2.456 50 0 BEAARN CCOC(=O)c1cccc(P(C)(C)=O)c1 ZINC000000301435 170299571 /nfs/dbraw/zinc/29/95/71/170299571.db2.gz NBFSTUGCKXOFJG-UHFFFAOYSA-N 0 0 226.212 2.111 50 0 BEAARN CCOC(=O)c1ccnc(C(F)F)c1 ZINC000095081532 170300633 /nfs/dbraw/zinc/30/06/33/170300633.db2.gz OYERJNILKIFGKX-UHFFFAOYSA-N 0 0 201.172 2.196 50 0 BEAARN CCOC(=O)c1cncc(Br)c1 ZINC000000071423 170302250 /nfs/dbraw/zinc/30/22/50/170302250.db2.gz PCPIANOJERKFJI-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1cnc(SCC)nc1Cl ZINC000000399465 170302348 /nfs/dbraw/zinc/30/23/48/170302348.db2.gz LHLXRHNNXBXIBM-UHFFFAOYSA-N 0 0 246.719 2.419 50 0 BEAARN CCOC(=O)c1cnc2ccc(F)cc2c1N ZINC000019702757 170302438 /nfs/dbraw/zinc/30/24/38/170302438.db2.gz XFWFXFVPVCAYMR-UHFFFAOYSA-N 0 0 234.230 2.133 50 0 BEAARN CCOC(=O)c1cnc2c(F)cccc2c1N ZINC000014988413 170302902 /nfs/dbraw/zinc/30/29/02/170302902.db2.gz VEQPOVUAOUJZIU-UHFFFAOYSA-N 0 0 234.230 2.133 50 0 BEAARN CCOC(=O)c1nc(-c2cccc(C)c2)no1 ZINC000000115348 170305681 /nfs/dbraw/zinc/30/56/81/170305681.db2.gz BZZGATYLQYGZTF-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(=O)c1nc(Cl)cc(Cl)c1N ZINC000299889436 170306981 /nfs/dbraw/zinc/30/69/81/170306981.db2.gz JJXQPLVVNNPVSZ-UHFFFAOYSA-N 0 0 235.070 2.147 50 0 BEAARN CCOC(=O)c1ncccc1Br ZINC000034477193 170309184 /nfs/dbraw/zinc/30/91/84/170309184.db2.gz FQVBRIVSBFQMQA-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1noc2c1COc1ccccc1-2 ZINC000006724404 170309458 /nfs/dbraw/zinc/30/94/58/170309458.db2.gz LDSXQAPAHSEGPU-UHFFFAOYSA-N 0 0 245.234 2.411 50 0 BEAARN CCOC(=O)c1oc2c(cccc2OC)c1N ZINC000255189837 170309783 /nfs/dbraw/zinc/30/97/83/170309783.db2.gz SLEVOXIIRRIPQC-UHFFFAOYSA-N 0 0 235.239 2.200 50 0 BEAARN CCOC(OCC)[C@H]1CCCO[C@H]1OCC ZINC000001597855 170315606 /nfs/dbraw/zinc/31/56/06/170315606.db2.gz JYXYXACQZPSPRH-ZYHUDNBSSA-N 0 0 232.320 2.175 50 0 BEAARN CCOCC(=O)Nc1cc(C)ccc1C ZINC000002069473 170347734 /nfs/dbraw/zinc/34/77/34/170347734.db2.gz CCSVDTLEDYNLGY-UHFFFAOYSA-N 0 0 207.273 2.278 50 0 BEAARN CCOCC(=O)Nc1cc(F)ccc1C(C)=O ZINC000096010264 170348046 /nfs/dbraw/zinc/34/80/46/170348046.db2.gz JAGDBAZUJYOECS-UHFFFAOYSA-N 0 0 239.246 2.003 50 0 BEAARN CCOCC(=O)OCc1ccc(Cl)cc1 ZINC000003254018 170349999 /nfs/dbraw/zinc/34/99/99/170349999.db2.gz SJRUKMILXCKNQK-UHFFFAOYSA-N 0 0 228.675 2.420 50 0 BEAARN CCOCCC(=O)N1c2ccccc2C[C@@H]1C ZINC000016527183 170360219 /nfs/dbraw/zinc/36/02/19/170360219.db2.gz JDLHNQNCULQGHT-NSHDSACASA-N 0 0 233.311 2.391 50 0 BEAARN CCOCCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000096423518 170363248 /nfs/dbraw/zinc/36/32/48/170363248.db2.gz PVMMYHAUPJJPDX-OLZOCXBDSA-N 0 0 239.359 2.498 50 0 BEAARN CCOCCCNC(=O)/C=C/c1ccccc1 ZINC000002818504 170375885 /nfs/dbraw/zinc/37/58/85/170375885.db2.gz PTZFSNQIGJBBGG-MDZDMXLPSA-N 0 0 233.311 2.243 50 0 BEAARN CCOCCCNc1ncnc2ccccc21 ZINC000001912264 170383767 /nfs/dbraw/zinc/38/37/67/170383767.db2.gz KVQCCCWKSXHZAJ-UHFFFAOYSA-N 0 0 231.299 2.468 50 0 BEAARN CCOCCS[C@@H](C)C(=O)N1CCCCC1 ZINC000097114020 170424528 /nfs/dbraw/zinc/42/45/28/170424528.db2.gz TYHDBLZRNCGSFM-NSHDSACASA-N 0 0 245.388 2.157 50 0 BEAARN CCONC(=O)c1cc(C)c(CC)s1 ZINC000040049098 170468310 /nfs/dbraw/zinc/46/83/10/170468310.db2.gz PLQMBOPRBHSOLX-UHFFFAOYSA-N 0 0 213.302 2.300 50 0 BEAARN CCO[C@H](C)C(=O)N(C)Cc1ccsc1 ZINC000040523523 170496416 /nfs/dbraw/zinc/49/64/16/170496416.db2.gz WYFHTRGXZKQFEZ-SECBINFHSA-N 0 0 227.329 2.132 50 0 BEAARN CCOc1ccc(/C=C/C(=O)NC2CC2)cc1 ZINC000008034951 170534273 /nfs/dbraw/zinc/53/42/73/170534273.db2.gz LLXUQYSZJYHSOD-BJMVGYQFSA-N 0 0 231.295 2.377 50 0 BEAARN CCOc1ccc(NC(=O)[C@@H]2CCOC2)cc1 ZINC000049353843 170552130 /nfs/dbraw/zinc/55/21/30/170552130.db2.gz PTQQFBDQUWYONV-SNVBAGLBSA-N 0 0 235.283 2.060 50 0 BEAARN CCOc1ccccc1C(=O)Nc1nonc1C ZINC000027991716 170590853 /nfs/dbraw/zinc/59/08/53/170590853.db2.gz AXLTXZUTPCWFRJ-UHFFFAOYSA-N 0 0 247.254 2.029 50 0 BEAARN CC[C@@H](C)NC(=O)c1cccc2c[nH]nc21 ZINC000012977843 170749032 /nfs/dbraw/zinc/74/90/32/170749032.db2.gz NVQJKISEJRYCJK-MRVPVSSYSA-N 0 0 217.272 2.091 50 0 BEAARN CC[C@@H](C)NC(=O)c1cnc2ccccc2n1 ZINC000012977660 170749902 /nfs/dbraw/zinc/74/99/02/170749902.db2.gz VKWINXGHPRBKEP-SECBINFHSA-N 0 0 229.283 2.158 50 0 BEAARN CC[C@@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000009959521 170804520 /nfs/dbraw/zinc/80/45/20/170804520.db2.gz VPMWZLUFDOHJFC-ZJUUUORDSA-N 0 0 221.300 2.453 50 0 BEAARN CC[C@@H]1CCN1C(=O)Nc1ccncc1F ZINC000297736036 171019621 /nfs/dbraw/zinc/01/96/21/171019621.db2.gz KSSFHEYEIPEUQV-MRVPVSSYSA-N 0 0 223.251 2.237 50 0 BEAARN CC[C@@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000004083890 171150512 /nfs/dbraw/zinc/15/05/12/171150512.db2.gz OOJCKCNYTLTQGT-JQWIXIFHSA-N 0 0 244.294 2.218 50 0 BEAARN CC[C@@](C)(CO)NC(=O)c1cc(C)cc(F)c1 ZINC000097081757 171170202 /nfs/dbraw/zinc/17/02/02/171170202.db2.gz BFESHWNYPZDLRI-ZDUSSCGKSA-N 0 0 239.290 2.025 50 0 BEAARN CC[C@](O)(c1nccn1C)c1ccccc1 ZINC000039932988 171194414 /nfs/dbraw/zinc/19/44/14/171194414.db2.gz HIOQLIWZMRIBMK-CYBMUJFWSA-N 0 0 216.284 2.066 50 0 BEAARN CC[C@@]1(C)Cc2ccccc2C(=CC(=O)NC)N1 ZINC000000322484 171207803 /nfs/dbraw/zinc/20/78/03/171207803.db2.gz CFXIRKHVEORDTD-CTXBLAANSA-N 0 0 244.338 2.088 50 0 biogenic BEAARN CC[C@H](C(=O)N(C)Cc1ccoc1)n1cccn1 ZINC000091650059 171223050 /nfs/dbraw/zinc/22/30/50/171223050.db2.gz IIPXKLWHLLSUIN-GFCCVEGCSA-N 0 0 247.298 2.086 50 0 BEAARN CC[C@H](C(=O)N1CCC(O)CC1)c1ccccc1 ZINC000032732162 171224940 /nfs/dbraw/zinc/22/49/40/171224940.db2.gz GQWWAPWXFCXPEI-AWEZNQCLSA-N 0 0 247.338 2.164 50 0 BEAARN CC[C@H](C(=O)N[C@H](C)COC)c1ccccc1 ZINC000002739447 171232592 /nfs/dbraw/zinc/23/25/92/171232592.db2.gz XVBFXHJPAUEZEI-YPMHNXCESA-N 0 0 235.327 2.331 50 0 BEAARN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000248973304 171237813 /nfs/dbraw/zinc/23/78/13/171237813.db2.gz PXRRLFUIJXACSY-WDEREUQCSA-N 0 0 213.321 2.218 50 0 BEAARN CC[C@H](C(=O)OC1COC1)c1ccccc1 ZINC000078612883 171241408 /nfs/dbraw/zinc/24/14/08/171241408.db2.gz ZYLGNHFOEGREAI-LBPRGKRZSA-N 0 0 220.268 2.122 50 0 BEAARN CC[C@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000055276406 171250594 /nfs/dbraw/zinc/25/05/94/171250594.db2.gz UESRQGCIGBGURF-QWRGUYRKSA-N 0 0 238.331 2.045 50 0 BEAARN CC[C@H](C)C(=O)NCCn1cnc2ccccc21 ZINC000058268284 171251291 /nfs/dbraw/zinc/25/12/91/171251291.db2.gz MHTDSPSTGFESKO-NSHDSACASA-N 0 0 245.326 2.199 50 0 BEAARN CC[C@H](C)C(=O)OCc1nnsc1Cl ZINC000058553026 171256479 /nfs/dbraw/zinc/25/64/79/171256479.db2.gz HMYDQPPWDBXALI-YFKPBYRVSA-N 0 0 234.708 2.281 50 0 BEAARN CC[C@H](C)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000097376648 171256613 /nfs/dbraw/zinc/25/66/13/171256613.db2.gz KGUGDEOTIRHQJE-ZETCQYMHSA-N 0 0 222.292 2.057 50 0 BEAARN CC[C@H](C)NC(=O)CCc1ccc2c(c1)OCO2 ZINC000012737061 171324180 /nfs/dbraw/zinc/32/41/80/171324180.db2.gz YNDVGHWBAOZHQB-JTQLQIEISA-N 0 0 249.310 2.263 50 0 BEAARN CC[C@H](C)NC(=O)Cc1c[nH]c2ncccc12 ZINC000075495141 171327563 /nfs/dbraw/zinc/32/75/63/171327563.db2.gz HXMCWEKBAJLSPF-VIFPVBQESA-N 0 0 231.299 2.020 50 0 BEAARN CC[C@H](C)NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000020573111 171328896 /nfs/dbraw/zinc/32/88/96/171328896.db2.gz FKAUWSRENDMFMI-AXFHLTTASA-N 0 0 212.337 2.472 50 0 BEAARN CC[C@H](C)NC(=O)NCc1csc(C)n1 ZINC000042843202 171329939 /nfs/dbraw/zinc/32/99/39/171329939.db2.gz VARGRCPUXAUTQZ-ZETCQYMHSA-N 0 0 227.333 2.049 50 0 BEAARN CC[C@H](C)NC(=O)c1cccc(N(C)C)c1 ZINC000012540380 171336875 /nfs/dbraw/zinc/33/68/75/171336875.db2.gz GYCHCHKCRMYFSB-JTQLQIEISA-N 0 0 220.316 2.281 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000577344 171344847 /nfs/dbraw/zinc/34/48/47/171344847.db2.gz MQKHLMFKDTUBSK-QMMMGPOBSA-N 0 0 247.747 2.417 50 0 BEAARN CC[C@H]1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000031681035 171614708 /nfs/dbraw/zinc/61/47/08/171614708.db2.gz XMNTWIUGQZPVQG-NSHDSACASA-N 0 0 248.326 2.480 50 0 BEAARN CC[C@](C)(O)CNC(=O)c1ccc(C)cc1F ZINC000094239562 171702318 /nfs/dbraw/zinc/70/23/18/171702318.db2.gz STJDNTTXSNOXEL-ZDUSSCGKSA-N 0 0 239.290 2.025 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000219063851 412346281 /nfs/dbraw/zinc/34/62/81/412346281.db2.gz WHVCWCZMWYWXEO-MRVWCRGKSA-N 0 0 245.322 2.243 50 0 BEAARN CC[C@@](O)(c1nccn1C)c1ccccc1 ZINC000039932989 171710162 /nfs/dbraw/zinc/71/01/62/171710162.db2.gz HIOQLIWZMRIBMK-ZDUSSCGKSA-N 0 0 216.284 2.066 50 0 BEAARN CC[C@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000000197958 171722303 /nfs/dbraw/zinc/72/23/03/171722303.db2.gz HTXUDEXIYYPGEV-LLVKDONJSA-N 0 0 221.329 2.423 50 0 BEAARN CCc1cc(C(=O)NC(C)C)c2c(C)noc2n1 ZINC000036621600 171751843 /nfs/dbraw/zinc/75/18/43/171751843.db2.gz PWTXTEGUWYUXJE-UHFFFAOYSA-N 0 0 247.298 2.232 50 0 BEAARN CCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000012983156 171784701 /nfs/dbraw/zinc/78/47/01/171784701.db2.gz FBJQWZOURYYIFT-RYUDHWBXSA-N 0 0 247.338 2.498 50 0 BEAARN CCc1ccc(CNC(=O)[C@@H]2CCCO2)s1 ZINC000040535689 171803999 /nfs/dbraw/zinc/80/39/99/171803999.db2.gz MVUMHBKALYHJHK-NSHDSACASA-N 0 0 239.340 2.106 50 0 BEAARN CCc1ccc(NC(=O)C(=O)c2ccc[nH]2)cc1 ZINC000065083587 171817839 /nfs/dbraw/zinc/81/78/39/171817839.db2.gz SRUJAWALXXDOPP-UHFFFAOYSA-N 0 0 242.278 2.399 50 0 BEAARN CCc1ccccc1-c1nc(OC)nc(OC)n1 ZINC000067907987 171869982 /nfs/dbraw/zinc/86/99/82/171869982.db2.gz CJOKHCQKHWMJIR-UHFFFAOYSA-N 0 0 245.282 2.118 50 0 BEAARN CCc1ccccc1NC(=O)c1ccc[nH]c1=O ZINC000009514596 171888658 /nfs/dbraw/zinc/88/86/58/171888658.db2.gz OWBPJCFKBPLSNM-UHFFFAOYSA-N 0 0 242.278 2.190 50 0 BEAARN CCc1nc(CCNC(=O)[C@H]2C[C@H]2C)cs1 ZINC000083830281 171969234 /nfs/dbraw/zinc/96/92/34/171969234.db2.gz JLJMQNQZSFLJFT-SCZZXKLOSA-N 0 0 238.356 2.020 50 0 BEAARN CCc1nc2c(o1)c1ccccc1[nH]c2=O ZINC000000368722 172009419 /nfs/dbraw/zinc/00/94/19/172009419.db2.gz RLPXVZNCDPARAF-UHFFFAOYSA-N 0 0 214.224 2.232 50 0 BEAARN CCc1nc2ccc(C(=O)NC)cc2nc1CC ZINC000006917907 172012470 /nfs/dbraw/zinc/01/24/70/172012470.db2.gz HBFSYUSGKIHMDY-UHFFFAOYSA-N 0 0 243.310 2.114 50 0 BEAARN CCc1cc2c([nH]c(CC)nc2=O)s1 ZINC000020346155 172015342 /nfs/dbraw/zinc/01/53/42/172015342.db2.gz OJNUXZAUICLEMJ-UHFFFAOYSA-N 0 0 208.286 2.109 50 0 BEAARN CCc1ncc([C@@H](O)c2ccc(C)cc2)n1C ZINC000000170138 172023684 /nfs/dbraw/zinc/02/36/84/172023684.db2.gz RLZMGGXEJXZNNS-AWEZNQCLSA-N 0 0 230.311 2.373 50 0 BEAARN CCc1ncc([C@@H](O)c2ccccc2OC)n1C ZINC000000237795 172023991 /nfs/dbraw/zinc/02/39/91/172023991.db2.gz ZTAYCNWHQGGYQX-AWEZNQCLSA-N 0 0 246.310 2.073 50 0 BEAARN CCc1nccn1Cc1ccc(F)cn1 ZINC000276099124 172028332 /nfs/dbraw/zinc/02/83/32/172028332.db2.gz SCJHEAJSBRUNBG-UHFFFAOYSA-N 0 0 205.236 2.028 50 0 BEAARN CCc1ncnc(Nc2ccc(NC)nc2)c1F ZINC000271214955 172033121 /nfs/dbraw/zinc/03/31/21/172033121.db2.gz TWAZWGOTMPAVRQ-UHFFFAOYSA-N 0 0 247.277 2.358 50 0 BEAARN CCc1nn(-c2ccccc2)c(N)c1C ZINC000000342367 172038280 /nfs/dbraw/zinc/03/82/80/172038280.db2.gz HCFCJMAWRYDNBB-UHFFFAOYSA-N 0 0 201.273 2.325 50 0 BEAARN CCc1nnc(-c2ccccn2)nc1CC ZINC000005241134 172045345 /nfs/dbraw/zinc/04/53/45/172045345.db2.gz CTHOVPODUCLZPG-UHFFFAOYSA-N 0 0 214.272 2.058 50 0 BEAARN CCc1nnc(CN(C)C2CCCC2)o1 ZINC000054118247 172047893 /nfs/dbraw/zinc/04/78/93/172047893.db2.gz LWZAYTJXVWINND-UHFFFAOYSA-N 0 0 209.293 2.006 50 0 BEAARN CCc1nnc(NC(=O)[C@@H]2CC=CCC2)s1 ZINC000007347829 172058406 /nfs/dbraw/zinc/05/84/06/172058406.db2.gz NEBZAKZWRCPELQ-MRVPVSSYSA-N 0 0 237.328 2.395 50 0 BEAARN CCc1nnc2ccc(NC3CCCCC3)nn21 ZINC000032102688 172068035 /nfs/dbraw/zinc/06/80/35/172068035.db2.gz RVRAYUBYJWHUJE-UHFFFAOYSA-N 0 0 245.330 2.431 50 0 BEAARN CCc1noc(-c2ccc(NC(C)=O)cc2)n1 ZINC000035537812 172072845 /nfs/dbraw/zinc/07/28/45/172072845.db2.gz MZXATLVLXOZSSD-UHFFFAOYSA-N 0 0 231.255 2.257 50 0 BEAARN CCc1noc(C)c1-c1nc([C@@H]2CCOC2)no1 ZINC000096131274 172073588 /nfs/dbraw/zinc/07/35/88/172073588.db2.gz BOFBKVPMFLAQCZ-MRVPVSSYSA-N 0 0 249.270 2.099 50 0 BEAARN CCc1noc(CS[C@H]2CCO[C@@H]2C)n1 ZINC000095974158 172084682 /nfs/dbraw/zinc/08/46/82/172084682.db2.gz QVMDBWSPKSHBER-SFYZADRCSA-N 0 0 228.317 2.043 50 0 BEAARN CCc1nonc1NC(=O)c1cccc(C)c1 ZINC000016753690 172102842 /nfs/dbraw/zinc/10/28/42/172102842.db2.gz MAEPWVYJRRJELS-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CCc1nonc1NC(=O)c1ccc(C)cc1 ZINC000006743392 172102871 /nfs/dbraw/zinc/10/28/71/172102871.db2.gz ZPNUAPAQDAZMBT-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CCc1nonc1NC(=O)c1ccc(F)cc1 ZINC000009200239 172103448 /nfs/dbraw/zinc/10/34/48/172103448.db2.gz YPNZXXMPWRBBOY-UHFFFAOYSA-N 0 0 235.218 2.023 50 0 BEAARN CCc1nsc(N[C@@H]2CCC[C@]2(C)CO)n1 ZINC000096455803 172106431 /nfs/dbraw/zinc/10/64/31/172106431.db2.gz ZGMAXQNILZBTFI-LDYMZIIASA-N 0 0 241.360 2.064 50 0 BEAARN CCc1oc(C(=O)N[C@H](C)c2ncon2)cc1C ZINC000097047475 172110912 /nfs/dbraw/zinc/11/09/12/172110912.db2.gz HDZAYMMOSYXUME-MRVPVSSYSA-N 0 0 249.270 2.024 50 0 BEAARN CCc1ocnc1C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000096456023 172120746 /nfs/dbraw/zinc/12/07/46/172120746.db2.gz KARSBOKPUNTRIE-PHIMTYICSA-N 0 0 248.326 2.499 50 0 BEAARN CCc1sc(C(=O)NCCCOC)cc1C ZINC000040462291 172128293 /nfs/dbraw/zinc/12/82/93/172128293.db2.gz MFXZWFMEALVMPR-UHFFFAOYSA-N 0 0 241.356 2.385 50 0 BEAARN CCn1c(C(=O)NC(C)C)cc2occc21 ZINC000064551919 172133367 /nfs/dbraw/zinc/13/33/67/172133367.db2.gz RKXRRPWANQBQPV-UHFFFAOYSA-N 0 0 220.272 2.392 50 0 BEAARN CCn1c(C(N)=O)cc2cc(C)ccc21 ZINC000098086363 172134170 /nfs/dbraw/zinc/13/41/70/172134170.db2.gz SOYYBCVWIRNMOI-UHFFFAOYSA-N 0 0 202.257 2.069 50 0 BEAARN CCn1c(C)cc(=O)c2ccc(C)nc21 ZINC000045027518 172134871 /nfs/dbraw/zinc/13/48/71/172134871.db2.gz KSHUUQOCONSZTC-UHFFFAOYSA-N 0 0 202.257 2.033 50 0 BEAARN CCn1c2cccc(F)c2nc1Cn1ccnc1 ZINC000069596360 172145908 /nfs/dbraw/zinc/14/59/08/172145908.db2.gz SKJKNBSJUPAVDF-UHFFFAOYSA-N 0 0 244.273 2.440 50 0 BEAARN CCN1C(=S)N=NC1c1ccc(F)cc1 ZINC000000608941 172147269 /nfs/dbraw/zinc/14/72/69/172147269.db2.gz GOJHSRQOQIHNJX-UHFFFAOYSA-N 0 0 223.276 2.393 50 0 BEAARN CCN1C(=S)N=NC1COc1cccc(C)c1 ZINC000005686870 172147342 /nfs/dbraw/zinc/14/73/42/172147342.db2.gz CGPFUNSHKFINOJ-UHFFFAOYSA-N 0 0 249.339 2.474 50 0 BEAARN CCn1c2ccccc2nc1SCCC(N)=O ZINC000007033701 172147533 /nfs/dbraw/zinc/14/75/33/172147533.db2.gz VSFPWAXDYJAMDX-UHFFFAOYSA-N 0 0 249.339 2.024 50 0 BEAARN CCn1c2ccccc2nc1S[C@H](C)C(N)=O ZINC000004484508 172148069 /nfs/dbraw/zinc/14/80/69/172148069.db2.gz YQOXMPCQHKNUOR-MRVPVSSYSA-N 0 0 249.339 2.022 50 0 BEAARN CCn1c2ccccc2n2c(=S)[nH]nc12 ZINC000005422433 172149068 /nfs/dbraw/zinc/14/90/68/172149068.db2.gz FTTCCTYOFDPNFS-UHFFFAOYSA-N 0 0 218.285 2.366 50 0 BEAARN CCn1cc(/C=C/C(=O)NC2CCCCC2)cn1 ZINC000002759987 172150142 /nfs/dbraw/zinc/15/01/42/172150142.db2.gz JCIRANCOKQYFSQ-CMDGGOBGSA-N 0 0 247.342 2.365 50 0 BEAARN CCn1cc(CN(C)C(=O)C2CCCC2)cn1 ZINC000028222086 172159752 /nfs/dbraw/zinc/15/97/52/172159752.db2.gz MFJOTTRRSHVFRU-UHFFFAOYSA-N 0 0 235.331 2.052 50 0 BEAARN CCn1cc(CNC(=O)CCC2CCCC2)cn1 ZINC000027918739 172166544 /nfs/dbraw/zinc/16/65/44/172166544.db2.gz BIGMMHDHDPEZDR-UHFFFAOYSA-N 0 0 249.358 2.490 50 0 BEAARN CCn1cc(CNC(=O)c2ccc(C)s2)cn1 ZINC000000372460 172169208 /nfs/dbraw/zinc/16/92/08/172169208.db2.gz CORIXAPZCMJBHG-UHFFFAOYSA-N 0 0 249.339 2.203 50 0 BEAARN CCn1cc(CNC(=O)c2cccs2)c(C)n1 ZINC000002762958 172169319 /nfs/dbraw/zinc/16/93/19/172169319.db2.gz WJQVQUPQCOURTL-UHFFFAOYSA-N 0 0 249.339 2.203 50 0 BEAARN CCn1cc(NC(=O)Nc2ccc(F)cn2)cn1 ZINC000123041821 172181516 /nfs/dbraw/zinc/18/15/16/172181516.db2.gz JVDZXQLGHWGEQB-UHFFFAOYSA-N 0 0 249.249 2.081 50 0 BEAARN CCn1ccc(NC(=O)c2cc(C)oc2C)n1 ZINC000027929830 172201224 /nfs/dbraw/zinc/20/12/24/172201224.db2.gz HRUWNGQKAMOZBK-UHFFFAOYSA-N 0 0 233.271 2.365 50 0 BEAARN CCn1ccnc1[C@@H](O)c1ccc(N(C)C)cc1 ZINC000000237726 172229363 /nfs/dbraw/zinc/22/93/63/172229363.db2.gz UKIFMJRUEMXRCC-ZDUSSCGKSA-N 0 0 245.326 2.051 50 0 BEAARN CCn1nc(C)c(NCC2=CCCOC2)c1C ZINC000092568044 172249031 /nfs/dbraw/zinc/24/90/31/172249031.db2.gz SBFDEWXXXBYDLZ-UHFFFAOYSA-N 0 0 235.331 2.278 50 0 BEAARN CN(C(=O)C1CC1)[C@@H]1CCCc2cccnc21 ZINC000225530114 172298490 /nfs/dbraw/zinc/29/84/90/172298490.db2.gz KMNKNYNLKXFQQJ-GFCCVEGCSA-N 0 0 230.311 2.327 50 0 BEAARN CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1 ZINC000021299222 172324430 /nfs/dbraw/zinc/32/44/30/172324430.db2.gz JAMGILZSPQRPBH-UHFFFAOYSA-N 0 0 227.304 2.365 50 0 BEAARN CN(C(=O)OC(C)(C)C)c1ccccn1 ZINC000036405055 172324711 /nfs/dbraw/zinc/32/47/11/172324711.db2.gz AAUJRTRWJOPCRT-UHFFFAOYSA-N 0 0 208.261 2.453 50 0 BEAARN CN(C(=O)[C@H]1CCCO1)C1CCCCCC1 ZINC000032857958 172333527 /nfs/dbraw/zinc/33/35/27/172333527.db2.gz ZUPKJPXWGGDFGP-GFCCVEGCSA-N 0 0 225.332 2.347 50 0 BEAARN CN(C)C(=O)CNc1c(Cl)cccc1Cl ZINC000078876654 172371503 /nfs/dbraw/zinc/37/15/03/172371503.db2.gz HHVSMFITMAGCGA-UHFFFAOYSA-N 0 0 247.125 2.494 50 0 BEAARN CN(C)C(=O)COc1cccc2ccccc21 ZINC000000163831 172372210 /nfs/dbraw/zinc/37/22/10/172372210.db2.gz IYNGWIYVZLVMEH-UHFFFAOYSA-N 0 0 229.279 2.307 50 0 BEAARN CN(C)C(=O)CSc1ccc(F)c(F)c1 ZINC000061163098 172373807 /nfs/dbraw/zinc/37/38/07/172373807.db2.gz HNBLNVQWHHOXTH-UHFFFAOYSA-N 0 0 231.267 2.145 50 0 BEAARN CN(C)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000031865448 172375500 /nfs/dbraw/zinc/37/55/00/172375500.db2.gz OWJOHMLWCKVTRZ-UHFFFAOYSA-N 0 0 246.335 2.441 50 0 BEAARN CN(C)C(=O)Nc1cn(C)c2ccccc12 ZINC000005265518 172382830 /nfs/dbraw/zinc/38/28/30/172382830.db2.gz KRLSFPYEPGYCCV-UHFFFAOYSA-N 0 0 217.272 2.272 50 0 BEAARN CN(C)C(=O)Sc1ccc(F)cc1N ZINC000095829821 172384306 /nfs/dbraw/zinc/38/43/06/172384306.db2.gz ACTMQXKVRVHNGI-UHFFFAOYSA-N 0 0 214.265 2.182 50 0 BEAARN CN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000032759897 172385401 /nfs/dbraw/zinc/38/54/01/172385401.db2.gz YOWLFTMCSSZGOE-GFCCVEGCSA-N 0 0 203.285 2.195 50 0 BEAARN CN(C)C(=O)c1ccnc(OC2CCCC2)c1 ZINC000252507818 172391667 /nfs/dbraw/zinc/39/16/67/172391667.db2.gz WUIFZZOZTQUKKQ-UHFFFAOYSA-N 0 0 234.299 2.105 50 0 BEAARN CN(C)c1cccc(C(=O)Nc2ccncc2)c1 ZINC000000377492 172565134 /nfs/dbraw/zinc/56/51/34/172565134.db2.gz FTTDBIOKVBXXJR-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN CN(C)c1ncccc1C(=O)OC1CCCC1 ZINC000095949258 172582662 /nfs/dbraw/zinc/58/26/62/172582662.db2.gz WNAXSSLFMAYJED-UHFFFAOYSA-N 0 0 234.299 2.247 50 0 BEAARN CN(CC(C)(C)C)C(=O)Cc1cccc(N)c1 ZINC000052923627 172621312 /nfs/dbraw/zinc/62/13/12/172621312.db2.gz MVCOVXSSXOJDCJ-UHFFFAOYSA-N 0 0 234.343 2.316 50 0 BEAARN CN(CC(F)(F)F)C(=O)c1ccsc1 ZINC000124497822 172630406 /nfs/dbraw/zinc/63/04/06/172630406.db2.gz ZQXSVZDAOSGBJD-UHFFFAOYSA-N 0 0 223.219 2.382 50 0 BEAARN CN(CC1CCCCC1)C(=O)c1ccc(=O)[nH]c1 ZINC000032753014 172660030 /nfs/dbraw/zinc/66/00/30/172660030.db2.gz ARFWWDAYBQNDKW-UHFFFAOYSA-N 0 0 248.326 2.027 50 0 BEAARN CN(Cc1ccccc1)C(=O)C1(O)CCCCC1 ZINC000079067232 172868322 /nfs/dbraw/zinc/86/83/22/172868322.db2.gz YPMGVGMNXXXVSP-UHFFFAOYSA-N 0 0 247.338 2.340 50 0 BEAARN CN(N)Cc1cccc(Cl)c1Cl ZINC000044125411 172940855 /nfs/dbraw/zinc/94/08/55/172940855.db2.gz AJGWJJASHXPEPH-UHFFFAOYSA-N 0 0 205.088 2.299 50 0 BEAARN CN1C(=O)Oc2c(Cl)cc(Cl)cc2[C@H]1O ZINC000071774185 172971034 /nfs/dbraw/zinc/97/10/34/172971034.db2.gz IJQDAMPZUWNKMI-MRVPVSSYSA-N 0 0 248.065 2.429 50 0 BEAARN CN1C(=O)Oc2c(Cl)cc(Cl)cc2[C@@H]1O ZINC000071774186 172971222 /nfs/dbraw/zinc/97/12/22/172971222.db2.gz IJQDAMPZUWNKMI-QMMMGPOBSA-N 0 0 248.065 2.429 50 0 BEAARN CN1CCC[C@]12NCCc1c3ccccc3[nH]c12 ZINC000019324376 173062769 /nfs/dbraw/zinc/06/27/69/173062769.db2.gz FOMGWKRLXRPOLU-HNNXBMFYSA-N 0 0 241.338 2.192 50 0 BEAARN CN1CCN(c2nsc3ccccc32)CC1 ZINC000034120547 173095979 /nfs/dbraw/zinc/09/59/79/173095979.db2.gz YAZXDEHXEQGPPE-UHFFFAOYSA-N 0 0 233.340 2.048 50 0 BEAARN CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000089385664 173102183 /nfs/dbraw/zinc/10/21/83/173102183.db2.gz CNEZNODSSKVUQS-LLVKDONJSA-N 0 0 211.692 2.343 50 0 BEAARN CN1O[C@@H]2CCCC(=O)[C@H]2[C@@H]1c1ccccc1 ZINC000248020195 173205315 /nfs/dbraw/zinc/20/53/15/173205315.db2.gz FFOMFRWPMNYVMA-MCIONIFRSA-N 0 0 231.295 2.343 50 0 BEAARN CN1O[C@@H]2CCCC(=O)[C@@H]2[C@H]1c1ccccc1 ZINC000248020191 173205332 /nfs/dbraw/zinc/20/53/32/173205332.db2.gz FFOMFRWPMNYVMA-HZSPNIEDSA-N 0 0 231.295 2.343 50 0 BEAARN CNC(=O)CSC[C@H](C)c1ccccc1 ZINC000096496220 173279689 /nfs/dbraw/zinc/27/96/89/173279689.db2.gz ZZWSFJUIYYTLEG-JTQLQIEISA-N 0 0 223.341 2.269 50 0 BEAARN CNC(=O)CSc1ccc2ccccc2n1 ZINC000005626934 173280398 /nfs/dbraw/zinc/28/03/98/173280398.db2.gz COWQHOXVASXJTP-UHFFFAOYSA-N 0 0 232.308 2.073 50 0 BEAARN CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000014862104 173283750 /nfs/dbraw/zinc/28/37/50/173283750.db2.gz CGFORRLIKRTSLT-UHFFFAOYSA-N 0 0 218.083 2.282 50 0 BEAARN CNC(=O)N1CCc2c1cccc2Cl ZINC000089386321 173285896 /nfs/dbraw/zinc/28/58/96/173285896.db2.gz HDEHLPZDQAWGAY-UHFFFAOYSA-N 0 0 210.664 2.042 50 0 BEAARN CNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000012380552 173304503 /nfs/dbraw/zinc/30/45/03/173304503.db2.gz UXTQEGDCSPEXJY-JTQLQIEISA-N 0 0 229.279 2.353 50 0 BEAARN CNC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000069530176 173305531 /nfs/dbraw/zinc/30/55/31/173305531.db2.gz KUUYSXQZLCCTRM-CYBMUJFWSA-N 0 0 233.311 2.433 50 0 BEAARN CNC(=O)c1cc(-c2cc[nH]n2)ccc1Cl ZINC000067787295 173309195 /nfs/dbraw/zinc/30/91/95/173309195.db2.gz OIQWHQYUJMXIMK-UHFFFAOYSA-N 0 0 235.674 2.090 50 0 BEAARN CNC(=O)c1cc(C)nc2c(C)cccc12 ZINC000064553258 173309700 /nfs/dbraw/zinc/30/97/00/173309700.db2.gz PKCNWMYCXCPCDC-UHFFFAOYSA-N 0 0 214.268 2.211 50 0 BEAARN CNC(=O)c1cccn1Cc1ccc(F)cc1 ZINC000065301632 173312600 /nfs/dbraw/zinc/31/26/00/173312600.db2.gz KHAANAUZLKYSPP-UHFFFAOYSA-N 0 0 232.258 2.035 50 0 BEAARN CNC(=O)c1nc(-c2ccco2)sc1C ZINC000040493760 173313649 /nfs/dbraw/zinc/31/36/49/173313649.db2.gz PRFAHDCFFVMEPZ-UHFFFAOYSA-N 0 0 222.269 2.071 50 0 BEAARN CNC(=O)c1ncoc1-c1cccc(C)c1 ZINC000064556763 173314809 /nfs/dbraw/zinc/31/48/09/173314809.db2.gz XTTBJXPOQJAFRB-UHFFFAOYSA-N 0 0 216.240 2.010 50 0 BEAARN CNC(=S)NCc1ccc2c(cc(C)n2C)c1 ZINC000004924996 173315971 /nfs/dbraw/zinc/31/59/71/173315971.db2.gz TUMUGZKEJCDBIS-UHFFFAOYSA-N 0 0 247.367 2.081 50 0 BEAARN CNc1nnc(SCc2ncc(C)o2)s1 ZINC000173026796 173489839 /nfs/dbraw/zinc/48/98/39/173489839.db2.gz LPNGTZGWDSNJJV-UHFFFAOYSA-N 0 0 242.329 2.169 50 0 BEAARN COC(=O)CC(=O)Cc1cccc(Cl)c1 ZINC000036532658 173520780 /nfs/dbraw/zinc/52/07/80/173520780.db2.gz HXFLZWMDSJSEKH-UHFFFAOYSA-N 0 0 226.659 2.015 50 0 BEAARN COC(=O)CCCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000097102280 173528482 /nfs/dbraw/zinc/52/84/82/173528482.db2.gz OWUKZAGUUCVYRM-PHIMTYICSA-N 0 0 241.331 2.119 50 0 BEAARN COC(=O)CCSCc1cccc(N)c1 ZINC000036336319 173565619 /nfs/dbraw/zinc/56/56/19/173565619.db2.gz XUAHEVOXJOUPGI-UHFFFAOYSA-N 0 0 225.313 2.065 50 0 BEAARN COC(=O)C[C@]1(C)OC[C@@H](c2ccccc2)O1 ZINC000000402180 173638650 /nfs/dbraw/zinc/63/86/50/173638650.db2.gz QXKDHNLUWGBVBK-WCQYABFASA-N 0 0 236.267 2.054 50 0 BEAARN COC(=O)[C@@H](Cc1cccc(Cl)c1)C(C)=O ZINC000096663694 173703921 /nfs/dbraw/zinc/70/39/21/173703921.db2.gz MJBJMGDIZQDXFP-NSHDSACASA-N 0 0 240.686 2.261 50 0 BEAARN COC(=O)c1c(N)sc2c1CC[C@H](C)C2 ZINC000000084177 173844686 /nfs/dbraw/zinc/84/46/86/173844686.db2.gz YHYBWJHQHFHSSW-LURJTMIESA-N 0 0 225.313 2.242 50 0 BEAARN COC(=O)c1cc(C=Cc2ccccc2)[nH]n1 ZINC000003906386 173848218 /nfs/dbraw/zinc/84/82/18/173848218.db2.gz MDQMOHNCBLLDIZ-BQYQJAHWSA-N 0 0 228.251 2.367 50 0 BEAARN COC(=O)c1cc(C)nn1Cc1ccc(C)cc1 ZINC000044672038 173851637 /nfs/dbraw/zinc/85/16/37/173851637.db2.gz XEAJFMLLQFWWSV-UHFFFAOYSA-N 0 0 244.294 2.335 50 0 BEAARN COC(=O)c1ccc(C)c2c1NCCC2 ZINC000095929774 173872058 /nfs/dbraw/zinc/87/20/58/173872058.db2.gz APLLMLPJLQQOHT-UHFFFAOYSA-N 0 0 205.257 2.140 50 0 BEAARN COC(=O)c1ccc(C)c(NC(=O)C(C)C)c1 ZINC000008778427 173872311 /nfs/dbraw/zinc/87/23/11/173872311.db2.gz GUENYIUQCDPFSE-UHFFFAOYSA-N 0 0 235.283 2.376 50 0 BEAARN COC(=O)c1ccc(N)c(Br)c1C ZINC000096029106 173881989 /nfs/dbraw/zinc/88/19/89/173881989.db2.gz HAEHULSXXMHFJM-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000005576694 173883054 /nfs/dbraw/zinc/88/30/54/173883054.db2.gz ANBDXPWKDSKYHR-KWQFWETISA-N 0 0 233.267 2.068 50 0 BEAARN COC(=O)c1ccc(NC(=O)c2ccccc2)o1 ZINC000004050319 173883742 /nfs/dbraw/zinc/88/37/42/173883742.db2.gz YGLBWKFLJIDRHL-UHFFFAOYSA-N 0 0 245.234 2.319 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1C ZINC000012984710 173895329 /nfs/dbraw/zinc/89/53/29/173895329.db2.gz FTVIOYWIJQZVJZ-GZMMTYOYSA-N 0 0 247.294 2.376 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000014788450 173895442 /nfs/dbraw/zinc/89/54/42/173895442.db2.gz OEEZXWYOYOXHMF-LDYMZIIASA-N 0 0 233.267 2.068 50 0 BEAARN COC(=O)c1cccc2cccc(O)c21 ZINC000002567181 173897834 /nfs/dbraw/zinc/89/78/34/173897834.db2.gz DSFFPEOQMHEQIH-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN COC(=O)c1ccccc1-c1cnco1 ZINC000090513522 173897960 /nfs/dbraw/zinc/89/79/60/173897960.db2.gz MLAMATAAFOXUEV-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN COC(=O)c1ccoc1CS[C@H](C)[C@@H](C)O ZINC000079065018 173903772 /nfs/dbraw/zinc/90/37/72/173903772.db2.gz UBRCEEUCLGYNAI-HTQZYQBOSA-N 0 0 244.312 2.069 50 0 BEAARN COC(=O)c1sc(Nc2ccccc2)nc1N ZINC000014988466 173922182 /nfs/dbraw/zinc/92/21/82/173922182.db2.gz JIFKUQJTZMOTRV-UHFFFAOYSA-N 0 0 249.295 2.256 50 0 BEAARN COC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000037979459 174026481 /nfs/dbraw/zinc/02/64/81/174026481.db2.gz NPIBNIWWYOBBTQ-UHFFFAOYSA-N 0 0 237.274 2.077 50 0 BEAARN COCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000022311616 174040526 /nfs/dbraw/zinc/04/05/26/174040526.db2.gz DICKUWAJILALGA-UHFFFAOYSA-N 0 0 247.338 2.114 50 0 BEAARN COCC(=O)NCc1ccc(Cl)cc1Cl ZINC000040160964 174052392 /nfs/dbraw/zinc/05/23/92/174052392.db2.gz GQKVKJHUCLJFNJ-UHFFFAOYSA-N 0 0 248.109 2.256 50 0 BEAARN COCC(=O)N[C@H](c1cccs1)C(C)C ZINC000039985598 174056922 /nfs/dbraw/zinc/05/69/22/174056922.db2.gz DTLNAYBRGYTKNZ-NSHDSACASA-N 0 0 227.329 2.208 50 0 BEAARN COCC(=O)Nc1ccc(C)c2ncccc12 ZINC000031096822 174058182 /nfs/dbraw/zinc/05/81/82/174058182.db2.gz VSDHMJMCBKHJJB-UHFFFAOYSA-N 0 0 230.267 2.128 50 0 BEAARN COCC(=O)Nc1ccc(OCC2CCC2)cc1 ZINC000089409666 174059588 /nfs/dbraw/zinc/05/95/88/174059588.db2.gz DBHQFFLDTNOVOT-UHFFFAOYSA-N 0 0 249.310 2.450 50 0 BEAARN COCC(=O)Nc1cccc(-n2cccc2)c1 ZINC000057305495 174059677 /nfs/dbraw/zinc/05/96/77/174059677.db2.gz UQNQPGAWLDUKDO-UHFFFAOYSA-N 0 0 230.267 2.062 50 0 BEAARN COCC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000022845637 174060943 /nfs/dbraw/zinc/06/09/43/174060943.db2.gz AENGWHDOVDIJTG-UHFFFAOYSA-N 0 0 228.317 2.026 50 0 BEAARN COCC1(CNC(=O)C[C@@H]2C=CCC2)CCC1 ZINC000337179291 174101160 /nfs/dbraw/zinc/10/11/60/174101160.db2.gz LDCMVVLGBOMCNI-GFCCVEGCSA-N 0 0 237.343 2.276 50 0 BEAARN COCCC(C)(C)CNC(=O)NC1CC=CC1 ZINC000097115828 174142679 /nfs/dbraw/zinc/14/26/79/174142679.db2.gz ABWMGKGOQMJBSD-UHFFFAOYSA-N 0 0 240.347 2.067 50 0 BEAARN COCCCCC(=O)Nc1ccccc1O ZINC000058161981 174176511 /nfs/dbraw/zinc/17/65/11/174176511.db2.gz PKVDNFVAEXYBQF-UHFFFAOYSA-N 0 0 223.272 2.147 50 0 BEAARN COCCCNC(=O)Nc1c[nH]c2ccccc12 ZINC000005299844 174242794 /nfs/dbraw/zinc/24/27/94/174242794.db2.gz WMXFDKIFFXWGHN-UHFFFAOYSA-N 0 0 247.298 2.326 50 0 BEAARN COCCCNC(=O)c1cc(C)ccc1C ZINC000047465874 174245129 /nfs/dbraw/zinc/24/51/29/174245129.db2.gz VRJMPUCOOTUNRN-UHFFFAOYSA-N 0 0 221.300 2.070 50 0 BEAARN COCCCNC(=O)c1ccccc1SC ZINC000002864417 174246240 /nfs/dbraw/zinc/24/62/40/174246240.db2.gz LUFWHXSJPUVCJM-UHFFFAOYSA-N 0 0 239.340 2.175 50 0 BEAARN COCCNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000032193284 174319797 /nfs/dbraw/zinc/31/97/97/174319797.db2.gz AVYPWRJOVBGKBG-BMXCINDRSA-N 0 0 249.310 2.179 50 0 BEAARN COCCNC(=O)Nc1c(C)cccc1Cl ZINC000004794822 174325208 /nfs/dbraw/zinc/32/52/08/174325208.db2.gz JFDISGYXZQQNDI-UHFFFAOYSA-N 0 0 242.706 2.416 50 0 BEAARN COCCNC(=O)c1ccc(C)c(Cl)c1 ZINC000002987846 174328620 /nfs/dbraw/zinc/32/86/20/174328620.db2.gz BANPYRULTUKMLG-UHFFFAOYSA-N 0 0 227.691 2.025 50 0 BEAARN COCCNC(=O)c1occc1-c1ccccc1 ZINC000022618528 174328917 /nfs/dbraw/zinc/32/89/17/174328917.db2.gz NLGMJWWRBPYZKK-UHFFFAOYSA-N 0 0 245.278 2.323 50 0 BEAARN COCCNC(=O)c1oc2ccc(C)cc2c1C ZINC000028575619 174329393 /nfs/dbraw/zinc/32/93/93/174329393.db2.gz RJYJQRCDTOMOEZ-UHFFFAOYSA-N 0 0 247.294 2.426 50 0 BEAARN COCCNC(=S)Nc1cccc(Cl)c1 ZINC000002100384 174330320 /nfs/dbraw/zinc/33/03/20/174330320.db2.gz BPFUTWRKOUHORJ-UHFFFAOYSA-N 0 0 244.747 2.273 50 0 BEAARN COCCNc1ncnc2c3ccccc3[nH]c21 ZINC000013865244 174342366 /nfs/dbraw/zinc/34/23/66/174342366.db2.gz RTLSMGYZQMQHDP-UHFFFAOYSA-N 0 0 242.282 2.169 50 0 BEAARN COCCNc1nc2ccccc2s1 ZINC000012505671 174342458 /nfs/dbraw/zinc/34/24/58/174342458.db2.gz UZGOCQSPJCBUKF-UHFFFAOYSA-N 0 0 208.286 2.355 50 0 BEAARN COCCOC(=O)Nc1ccc(C)cc1C ZINC000002172120 174343423 /nfs/dbraw/zinc/34/34/23/174343423.db2.gz FLWKKKSGLRODIH-UHFFFAOYSA-N 0 0 223.272 2.498 50 0 BEAARN COCCOc1ccc(C(F)(F)F)cc1N ZINC000003276766 174367360 /nfs/dbraw/zinc/36/73/60/174367360.db2.gz VGEAZFFURBQABD-UHFFFAOYSA-N 0 0 235.205 2.313 50 0 BEAARN COCCOc1cc(O)ccc1Cl ZINC000238361143 174368068 /nfs/dbraw/zinc/36/80/68/174368068.db2.gz MEFDEKORBTXFKP-UHFFFAOYSA-N 0 0 202.637 2.071 50 0 BEAARN COCCSCC(=O)Nc1cccc(F)c1 ZINC000045024509 174374192 /nfs/dbraw/zinc/37/41/92/174374192.db2.gz MTONYAANWGWQFV-UHFFFAOYSA-N 0 0 243.303 2.144 50 0 BEAARN COCCSCC(=O)NC1CCC(C)CC1 ZINC000040067491 174374554 /nfs/dbraw/zinc/37/45/54/174374554.db2.gz ZNBWWMZBLFVAOI-UHFFFAOYSA-N 0 0 245.388 2.061 50 0 BEAARN COCCSc1ccc(-c2cccnc2)nn1 ZINC000038486255 174376413 /nfs/dbraw/zinc/37/64/13/174376413.db2.gz MUXBIVWWURVCPK-UHFFFAOYSA-N 0 0 247.323 2.277 50 0 BEAARN COC[C@@H](C)N(C)c1ncnc2sccc21 ZINC000095951834 174448710 /nfs/dbraw/zinc/44/87/10/174448710.db2.gz QCQGTOQHCHDZIX-MRVPVSSYSA-N 0 0 237.328 2.162 50 0 BEAARN COC[C@@H](C)NC(=O)C1(c2cccc(C)c2)CC1 ZINC000071822610 174451782 /nfs/dbraw/zinc/45/17/82/174451782.db2.gz JZLLJLYVOHOPHQ-GFCCVEGCSA-N 0 0 247.338 2.178 50 0 BEAARN COC[C@H](C)NC(=O)Nc1ccc2c(c1)CCC2 ZINC000058278059 174544776 /nfs/dbraw/zinc/54/47/76/174544776.db2.gz JQSSMOCERDXRHM-JTQLQIEISA-N 0 0 248.326 2.332 50 0 BEAARN COC[C@H]1CCCN1C(=O)Cc1ccc(C)cc1 ZINC000096451645 174603644 /nfs/dbraw/zinc/60/36/44/174603644.db2.gz FMDQVKPDRPCEQH-CQSZACIVSA-N 0 0 247.338 2.175 50 0 BEAARN COCc1cccc(CNC(=O)c2ccco2)c1 ZINC000040535154 174630175 /nfs/dbraw/zinc/63/01/75/174630175.db2.gz AARJKDKVCDGQCI-UHFFFAOYSA-N 0 0 245.278 2.356 50 0 BEAARN COCc1cccc(CNC(=O)C=C(C)C)c1 ZINC000047026261 174630772 /nfs/dbraw/zinc/63/07/72/174630772.db2.gz ZQAFFSCTGLWTGK-UHFFFAOYSA-N 0 0 233.311 2.415 50 0 BEAARN COc1c(Cl)cc(C(N)=O)cc1Cl ZINC000008734433 174929653 /nfs/dbraw/zinc/92/96/53/174929653.db2.gz LUVHEVYYSJVNQE-UHFFFAOYSA-N 0 0 220.055 2.101 50 0 BEAARN COc1cc(C=O)ccc1OC(F)F ZINC000002529890 174977123 /nfs/dbraw/zinc/97/71/23/174977123.db2.gz KGPOVKAYCXTCQS-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN COc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1C ZINC000025309975 174994684 /nfs/dbraw/zinc/99/46/84/174994684.db2.gz QOYOPFKIRGRNSM-APPZFPTMSA-N 0 0 223.247 2.429 50 0 BEAARN COc1cc(NC(=O)C(C)C)cc(OC)c1 ZINC000000458188 174997784 /nfs/dbraw/zinc/99/77/84/174997784.db2.gz CMIISMMJDFUKFV-UHFFFAOYSA-N 0 0 223.272 2.298 50 0 BEAARN COc1cc(Oc2cccnc2)ccc1N ZINC000082523816 175013441 /nfs/dbraw/zinc/01/34/41/175013441.db2.gz WJXZMHHXWATRFX-UHFFFAOYSA-N 0 0 216.240 2.465 50 0 BEAARN COc1cc2c(cc1-c1ncc[nH]1)OCCCO2 ZINC000067871410 175020496 /nfs/dbraw/zinc/02/04/96/175020496.db2.gz CVKJZNANZJBYIH-UHFFFAOYSA-N 0 0 246.266 2.247 50 0 BEAARN COc1cc2cccc(N)c2cc1OC ZINC000001768039 175027700 /nfs/dbraw/zinc/02/77/00/175027700.db2.gz XWSTYNKWYKLHFJ-UHFFFAOYSA-N 0 0 203.241 2.439 50 0 BEAARN COc1cc2ncnc(NC(C)C)c2cc1OC ZINC000000116721 175029152 /nfs/dbraw/zinc/02/91/52/175029152.db2.gz PBWRQWDUZYUMIY-UHFFFAOYSA-N 0 0 247.298 2.467 50 0 BEAARN COc1ccc(-c2c(C)[nH]nc2N)cc1F ZINC000041234564 175029872 /nfs/dbraw/zinc/02/98/72/175029872.db2.gz OFPQZRFCIZAGKZ-UHFFFAOYSA-N 0 0 221.235 2.115 50 0 BEAARN COc1ccc(-c2c[nH]c(C)n2)c(OC)c1OC ZINC000019771129 175030094 /nfs/dbraw/zinc/03/00/94/175030094.db2.gz SYPXGJHMYXLOJX-UHFFFAOYSA-N 0 0 248.282 2.411 50 0 BEAARN COc1ccc(-c2c(C)noc2N)cc1 ZINC000014807602 175030322 /nfs/dbraw/zinc/03/03/22/175030322.db2.gz UKVNWFLUOHWKPC-UHFFFAOYSA-N 0 0 204.229 2.241 50 0 BEAARN COc1ccc(-c2cc(OC)nc(N)n2)c(C)c1 ZINC000032541464 175032095 /nfs/dbraw/zinc/03/20/95/175032095.db2.gz KCRCYURZIZOTIP-UHFFFAOYSA-N 0 0 245.282 2.051 50 0 BEAARN COc1ccc(-c2ccc(N)nc2)cc1 ZINC000022200986 175033773 /nfs/dbraw/zinc/03/37/73/175033773.db2.gz CSWWIPYFIQSGFG-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN COc1ccc(-c2ccc(F)cc2OC)nn1 ZINC000067739569 175033845 /nfs/dbraw/zinc/03/38/45/175033845.db2.gz YZQDKRNHPVIUNU-UHFFFAOYSA-N 0 0 234.230 2.300 50 0 BEAARN COc1ccc(-c2csc(=O)[nH]2)cc1 ZINC000006745125 175037593 /nfs/dbraw/zinc/03/75/93/175037593.db2.gz VRGOXHGWPUMECB-UHFFFAOYSA-N 0 0 207.254 2.112 50 0 BEAARN COc1ccc(-c2ncc(C)c(N)n2)c(C)c1 ZINC000065491711 175040937 /nfs/dbraw/zinc/04/09/37/175040937.db2.gz OZIFGOJXGVKKLL-UHFFFAOYSA-N 0 0 229.283 2.351 50 0 BEAARN COc1ccc(-c2nn[nH]n2)cc1C(C)(C)C ZINC000005379867 175041141 /nfs/dbraw/zinc/04/11/41/175041141.db2.gz YJQICZJMABCAKE-UHFFFAOYSA-N 0 0 232.287 2.173 50 0 BEAARN COc1ccc(-c2noc(C)c2CO)cc1 ZINC000038236212 175042701 /nfs/dbraw/zinc/04/27/01/175042701.db2.gz GEVLRBGXVFNDER-UHFFFAOYSA-N 0 0 219.240 2.151 50 0 BEAARN COc1ccc(-n2cc(Cl)ccc2=O)cc1 ZINC000032919139 175044064 /nfs/dbraw/zinc/04/40/64/175044064.db2.gz CPVAYQQAMXFQLP-UHFFFAOYSA-N 0 0 235.670 2.500 50 0 BEAARN COc1ccc(/C=C(/C)[N+](=O)[O-])cc1OC ZINC000016136475 175046301 /nfs/dbraw/zinc/04/63/01/175046301.db2.gz JGFBGRHDJMANRR-VURMDHGXSA-N 0 0 223.228 2.341 50 0 BEAARN COc1ccc(/C=C2/CCOC2=O)cc1 ZINC000012341336 175047904 /nfs/dbraw/zinc/04/79/04/175047904.db2.gz MBSKMEQHKIKWQZ-NTMALXAHSA-N 0 0 204.225 2.026 50 0 BEAARN COc1ccc(/C=C2\SC(=N)NC2=O)cc1C ZINC000015018315 175048102 /nfs/dbraw/zinc/04/81/02/175048102.db2.gz UQWZUYRJBDWUAS-POHAHGRESA-N 0 0 248.307 2.142 50 0 BEAARN COc1ccc(/C=C2\C=CC(=O)O2)cc1 ZINC000012341292 175048222 /nfs/dbraw/zinc/04/82/22/175048222.db2.gz IVMVTSFHCWLPGI-DHZHZOJOSA-N 0 0 202.209 2.149 50 0 BEAARN COc1ccc(/C=C2/N=C(C)OC2=O)cc1OC ZINC000000070584 175048300 /nfs/dbraw/zinc/04/83/00/175048300.db2.gz ABAKBSGPUNJZIZ-UXBLZVDNSA-N 0 0 247.250 2.020 50 0 BEAARN COc1ccc(C(=O)N2CCCCC2)cc1 ZINC000000493374 175055553 /nfs/dbraw/zinc/05/55/53/175055553.db2.gz QYEWGTGFLILZOS-UHFFFAOYSA-N 0 0 219.284 2.321 50 0 BEAARN COc1ccc(C(=O)N2CCCCCC2)cc1N ZINC000020155939 175055622 /nfs/dbraw/zinc/05/56/22/175055622.db2.gz VSSLCNKONSPRIU-UHFFFAOYSA-N 0 0 248.326 2.294 50 0 BEAARN COc1ccc(C(=O)N2CCCC2)cc1C ZINC000009140080 175055827 /nfs/dbraw/zinc/05/58/27/175055827.db2.gz CVSCAGVXTIFDGH-UHFFFAOYSA-N 0 0 219.284 2.240 50 0 BEAARN COc1ccc(C(=O)NCC(C)C)cc1C ZINC000013945943 175059075 /nfs/dbraw/zinc/05/90/75/175059075.db2.gz MFWNUBQRGVKDGD-UHFFFAOYSA-N 0 0 221.300 2.389 50 0 BEAARN COc1ccc(C(=O)NCCCC(C)C)cn1 ZINC000071800824 175059686 /nfs/dbraw/zinc/05/96/86/175059686.db2.gz RSFNEEKNZBZEFG-UHFFFAOYSA-N 0 0 236.315 2.256 50 0 BEAARN COc1ccc(C(=O)Nc2ncccc2C)cn1 ZINC000012555325 175064345 /nfs/dbraw/zinc/06/43/45/175064345.db2.gz CPXJVZDWISSTNB-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccc(C(=S)N2CCCC2)cc1O ZINC000009187899 175066677 /nfs/dbraw/zinc/06/66/77/175066677.db2.gz RXGWRASAQXVHER-UHFFFAOYSA-N 0 0 237.324 2.172 50 0 BEAARN COc1ccc(C(=O)c2ccncc2)cc1 ZINC000002019134 175066880 /nfs/dbraw/zinc/06/68/80/175066880.db2.gz FGEUIMWNIGSQPB-UHFFFAOYSA-N 0 0 213.236 2.321 50 0 BEAARN COc1ccc(C)cc1-n1cnnc1[C@@H](C)OC ZINC000071278589 175072935 /nfs/dbraw/zinc/07/29/35/175072935.db2.gz OBUKKNLEZBFBMH-SNVBAGLBSA-N 0 0 247.298 2.292 50 0 BEAARN COc1ccc(C)cc1CNc1cnn(C)c1 ZINC000036813762 175076020 /nfs/dbraw/zinc/07/60/20/175076020.db2.gz ZSUDAJPXGZOOAF-UHFFFAOYSA-N 0 0 231.299 2.349 50 0 BEAARN COc1ccc(C)cc1[C@H](C)NC(C)=O ZINC000023923663 175081122 /nfs/dbraw/zinc/08/11/22/175081122.db2.gz BXXSIRKVGDOVRV-VIFPVBQESA-N 0 0 207.273 2.201 50 0 BEAARN COc1ccc(C2=NC(C)(C)CO2)cc1OC ZINC000000161384 175085121 /nfs/dbraw/zinc/08/51/21/175085121.db2.gz LLBMTOGCQQKFAR-UHFFFAOYSA-N 0 0 235.283 2.259 50 0 BEAARN COc1ccc(C=O)c(Br)c1 ZINC000038283923 175086268 /nfs/dbraw/zinc/08/62/68/175086268.db2.gz ODISAUHBLBVQKC-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN COc1ccc(C=O)cc1OC(F)(F)F ZINC000012359153 175086358 /nfs/dbraw/zinc/08/63/58/175086358.db2.gz FFXBLEVIHWURLC-UHFFFAOYSA-N 0 0 220.146 2.406 50 0 BEAARN COc1ccc(C=O)cc1Cn1nc(C)cc1C ZINC000000096556 175086402 /nfs/dbraw/zinc/08/64/02/175086402.db2.gz XEUFDSHRBLJIJK-UHFFFAOYSA-N 0 0 244.294 2.369 50 0 BEAARN COc1ccc(CCCNc2nnc(C)o2)cc1 ZINC000091663577 175089461 /nfs/dbraw/zinc/08/94/61/175089461.db2.gz CNTLOEJFQKYKKU-UHFFFAOYSA-N 0 0 247.298 2.431 50 0 BEAARN COc1ccc(CNC(=O)C[C@@H]2C=CCC2)cn1 ZINC000032871410 175104049 /nfs/dbraw/zinc/10/40/49/175104049.db2.gz XNROKVSRZGZZOL-LLVKDONJSA-N 0 0 246.310 2.063 50 0 BEAARN COc1ccc(CNC(=O)[C@H]2CC=CCC2)cn1 ZINC000054484436 175105025 /nfs/dbraw/zinc/10/50/25/175105025.db2.gz DLDOZCRRUMSTBS-LBPRGKRZSA-N 0 0 246.310 2.063 50 0 BEAARN COc1ccc(CN[C@H](C)c2nccn2C)cc1 ZINC000070443331 175111537 /nfs/dbraw/zinc/11/15/37/175111537.db2.gz CZTLCGSTSPCWKW-LLVKDONJSA-N 0 0 245.326 2.280 50 0 BEAARN COc1ccc(N2CC(C)(C)C2=O)cc1 ZINC000003104467 175139577 /nfs/dbraw/zinc/13/95/77/175139577.db2.gz CKHPCORPMJIGQG-UHFFFAOYSA-N 0 0 205.257 2.068 50 0 BEAARN COc1ccc(NC(=O)C2CCC2)c(N)c1 ZINC000020157221 175140450 /nfs/dbraw/zinc/14/04/50/175140450.db2.gz RGMXORQKJKNJLY-UHFFFAOYSA-N 0 0 220.272 2.016 50 0 BEAARN COc1ccc(NC(=O)CSC(C)C)cn1 ZINC000024489608 175142234 /nfs/dbraw/zinc/14/22/34/175142234.db2.gz SAJWRBJKKSLHTO-UHFFFAOYSA-N 0 0 240.328 2.170 50 0 BEAARN COc1ccc(NC(=O)NC2CC2)cc1F ZINC000048450998 175143432 /nfs/dbraw/zinc/14/34/32/175143432.db2.gz RNTWVQIYUYHMBB-UHFFFAOYSA-N 0 0 224.235 2.118 50 0 BEAARN COc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000014982334 175144376 /nfs/dbraw/zinc/14/43/76/175144376.db2.gz BQBSTIXIDDRDHH-UHFFFAOYSA-N 0 0 224.260 2.437 50 0 BEAARN COc1ccc(NC(=O)Nc2nonc2C)cc1 ZINC000000266919 175144531 /nfs/dbraw/zinc/14/45/31/175144531.db2.gz PDNXFNKJJDDSBR-UHFFFAOYSA-N 0 0 248.242 2.031 50 0 BEAARN COc1ccc(NC(=O)[C@H]2CC2(C)C)cc1CO ZINC000095977754 175146227 /nfs/dbraw/zinc/14/62/27/175146227.db2.gz UUICWSBKXZDJGO-LLVKDONJSA-N 0 0 249.310 2.172 50 0 BEAARN COc1ccc(NC(=O)c2cccc(F)c2)cn1 ZINC000006122761 175147774 /nfs/dbraw/zinc/14/77/74/175147774.db2.gz LZKKNNBJRSRBCR-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(NC(C)=O)c2nc(C)c(C)nc12 ZINC000000297385 175148293 /nfs/dbraw/zinc/14/82/93/175148293.db2.gz XYKFBBAZGDCEIB-UHFFFAOYSA-N 0 0 245.282 2.214 50 0 BEAARN COc1ccc(NC(=O)c2cnc(C)cn2)cc1 ZINC000006078219 175148901 /nfs/dbraw/zinc/14/89/01/175148901.db2.gz DNIGKSYXGNVVMB-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccc(NC(=O)c2ccoc2C)cn1 ZINC000017296771 175148948 /nfs/dbraw/zinc/14/89/48/175148948.db2.gz RTGHPYBDUVGRKW-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccc(NC2CCOCC2)cc1 ZINC000020249496 175149715 /nfs/dbraw/zinc/14/97/15/175149715.db2.gz VZHPVWDYTQYGFB-UHFFFAOYSA-N 0 0 207.273 2.286 50 0 BEAARN COc1ccc(OC(F)(F)F)cc1CO ZINC000002527883 175162965 /nfs/dbraw/zinc/16/29/65/175162965.db2.gz NXUXBQMYALBYGH-UHFFFAOYSA-N 0 0 222.162 2.086 50 0 BEAARN COc1ccc(OC)c2c1nc1n2CCS1 ZINC000000384846 175171157 /nfs/dbraw/zinc/17/11/57/175171157.db2.gz LSGXWVTVNWFFOI-UHFFFAOYSA-N 0 0 236.296 2.159 50 0 BEAARN COc1ccc([C@@H](O)Cc2ccncc2)cc1 ZINC000004046536 175181303 /nfs/dbraw/zinc/18/13/03/175181303.db2.gz XDHAQPAJDNESBV-AWEZNQCLSA-N 0 0 229.279 2.366 50 0 BEAARN COc1ccc([C@@H]2CC(C)=Nc3ncnn32)cc1 ZINC000100730928 175181715 /nfs/dbraw/zinc/18/17/15/175181715.db2.gz BVJUIDZVIIIWNO-LBPRGKRZSA-N 0 0 242.282 2.205 50 0 BEAARN COc1ccc([C@@H]2CCCN2C(C)=O)cc1 ZINC000032819469 175182738 /nfs/dbraw/zinc/18/27/38/175182738.db2.gz ZFYAMIVRZMXOKQ-ZDUSSCGKSA-N 0 0 219.284 2.379 50 0 BEAARN COc1ccc([C@H](O)C(C)C)cc1OC ZINC000001691711 175193419 /nfs/dbraw/zinc/19/34/19/175193419.db2.gz AHNPSXRKYWCRBA-GFCCVEGCSA-N 0 0 210.273 2.393 50 0 BEAARN COc1ccc2[nH]c3c(c(=O)c2c1)CCCC3 ZINC000001855747 175202396 /nfs/dbraw/zinc/20/23/96/175202396.db2.gz NAKOPQZYTOAWQJ-UHFFFAOYSA-N 0 0 229.279 2.416 50 0 BEAARN COc1ccc2n[nH]cc2c1Br ZINC000066346756 175202526 /nfs/dbraw/zinc/20/25/26/175202526.db2.gz OJJMTCWSLYKVEH-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1ccc2c(c1)CCc1c[nH]nc1-2 ZINC000004002386 175209850 /nfs/dbraw/zinc/20/98/50/175209850.db2.gz YUWNNFSRQHLLLG-UHFFFAOYSA-N 0 0 200.241 2.184 50 0 BEAARN COc1ccc2c(c1)[C@H](O)CC(C)(C)O2 ZINC000011568127 175217108 /nfs/dbraw/zinc/21/71/08/175217108.db2.gz OGDIMNNYYGBSQY-SNVBAGLBSA-N 0 0 208.257 2.290 50 0 endogenous,in-man BEAARN COc1ccc2nc(NC(C)=O)sc2c1 ZINC000012417413 175228906 /nfs/dbraw/zinc/22/89/06/175228906.db2.gz ZLUZZGHIYZIXRE-UHFFFAOYSA-N 0 0 222.269 2.263 50 0 BEAARN COc1cccc(-c2ccc3c(N)n[nH]c3n2)c1 ZINC000011757322 175233776 /nfs/dbraw/zinc/23/37/76/175233776.db2.gz ZDVYYWFAYZPXRT-UHFFFAOYSA-N 0 0 240.266 2.216 50 0 BEAARN COc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000041057771 175236574 /nfs/dbraw/zinc/23/65/74/175236574.db2.gz YPWHWWIIKQEHEJ-UHFFFAOYSA-N 0 0 215.256 2.358 50 0 BEAARN COc1cccc(C2N=NC(=S)O2)c1 ZINC000005729857 175237751 /nfs/dbraw/zinc/23/77/51/175237751.db2.gz SCXBGYOKNHZERF-UHFFFAOYSA-N 0 0 208.242 2.034 50 0 BEAARN COc1cccc(-n2cccc2C=O)c1 ZINC000000085316 175238227 /nfs/dbraw/zinc/23/82/27/175238227.db2.gz VBRDELGRACETAQ-UHFFFAOYSA-N 0 0 201.225 2.298 50 0 BEAARN COc1cccc(C=C2SC(=O)NC2=O)c1 ZINC000012341825 175240313 /nfs/dbraw/zinc/24/03/13/175240313.db2.gz IPQWMGNQGDHUJR-RMKNXTFCSA-N 0 0 235.264 2.019 50 0 BEAARN COc1cccc(C(=O)c2cccc(OC)n2)c1 ZINC000045028714 175246911 /nfs/dbraw/zinc/24/69/11/175246911.db2.gz VDSHDCZSVBGYJT-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1cccc(C(N)=O)c1OC1CCCC1 ZINC000097114832 175247252 /nfs/dbraw/zinc/24/72/52/175247252.db2.gz PAMZOMAERAOPKV-UHFFFAOYSA-N 0 0 235.283 2.116 50 0 BEAARN COc1cccc(C2=NC(C)(C)CO2)c1OC ZINC000071766915 175249078 /nfs/dbraw/zinc/24/90/78/175249078.db2.gz GTXIBCRXNKXKCF-UHFFFAOYSA-N 0 0 235.283 2.259 50 0 BEAARN COc1cccc(CCNC(=O)c2ccco2)c1 ZINC000000185414 175252364 /nfs/dbraw/zinc/25/23/64/175252364.db2.gz AITJUYSLYYSHNH-UHFFFAOYSA-N 0 0 245.278 2.261 50 0 BEAARN COc1cccc(CCNc2ncccn2)c1 ZINC000032095023 175252811 /nfs/dbraw/zinc/25/28/11/175252811.db2.gz BTWQVNBZCBHGAM-UHFFFAOYSA-N 0 0 229.283 2.140 50 0 BEAARN COc1cccc(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000225177123 175260027 /nfs/dbraw/zinc/26/00/27/175260027.db2.gz YBWDEQGDJJMQRM-NWDGAFQWSA-N 0 0 235.327 2.304 50 0 BEAARN COc1cccc(CNc2ncccc2C)n1 ZINC000083356734 175269145 /nfs/dbraw/zinc/26/91/45/175269145.db2.gz NNJJCJHKLASALX-UHFFFAOYSA-N 0 0 229.283 2.406 50 0 BEAARN COc1cccc(NC(=S)N2CCCC2)c1 ZINC000000302155 175277899 /nfs/dbraw/zinc/27/78/99/175277899.db2.gz LZPMNVOTOQLTKV-UHFFFAOYSA-N 0 0 236.340 2.488 50 0 BEAARN COc1cccc(OC)c1OCc1ccon1 ZINC000015083642 175282912 /nfs/dbraw/zinc/28/29/12/175282912.db2.gz QNRYLMKQVAIMBX-UHFFFAOYSA-N 0 0 235.239 2.271 50 0 BEAARN COc1cccc2c(=O)c3ccoc3n(C)c12 ZINC000000517887 175298068 /nfs/dbraw/zinc/29/80/68/175298068.db2.gz VNBUMBNLPGLBML-UHFFFAOYSA-N 0 0 229.235 2.293 50 0 biogenic,in-vitro BEAARN COc1ccccc1-c1cc(C(=O)N(C)C)no1 ZINC000032830316 175307902 /nfs/dbraw/zinc/30/79/02/175307902.db2.gz ISZXNULCUBUIKL-UHFFFAOYSA-N 0 0 246.266 2.052 50 0 BEAARN COc1ccccc1-c1cc(C=O)on1 ZINC000057491459 175309464 /nfs/dbraw/zinc/30/94/64/175309464.db2.gz XOISEUFQRSBSTC-UHFFFAOYSA-N 0 0 203.197 2.163 50 0 BEAARN COc1ccccc1/C=C/CN1CCOCC1 ZINC000023281111 175314554 /nfs/dbraw/zinc/31/45/54/175314554.db2.gz QHDQCPYBAQHRHA-GQCTYLIASA-N 0 0 233.311 2.041 50 0 BEAARN COc1ccccc1CCc1n[nH]c(C2CC2)n1 ZINC000065507611 175324455 /nfs/dbraw/zinc/32/44/55/175324455.db2.gz ADXJGGNQZKNQQX-UHFFFAOYSA-N 0 0 243.310 2.476 50 0 BEAARN COc1ccccc1CNC(=O)NC(C)(C)C ZINC000003434422 175328542 /nfs/dbraw/zinc/32/85/42/175328542.db2.gz FARTVBIJTUFQKM-UHFFFAOYSA-N 0 0 236.315 2.293 50 0 BEAARN COc1ccccc1COC(=O)c1ccccn1 ZINC000008878382 175332195 /nfs/dbraw/zinc/33/21/95/175332195.db2.gz RHHXXGXBGLYCGV-UHFFFAOYSA-N 0 0 243.262 2.447 50 0 BEAARN COc1ccccc1NC(=S)N1CCCC1 ZINC000008830241 175336816 /nfs/dbraw/zinc/33/68/16/175336816.db2.gz QKNCWRKZWBZFPY-UHFFFAOYSA-N 0 0 236.340 2.488 50 0 BEAARN COc1ccccc1NC(=O)[C@H]1C[C@@H]1C ZINC000009457942 175337220 /nfs/dbraw/zinc/33/72/20/175337220.db2.gz LFVZNOLLHASXJZ-IUCAKERBSA-N 0 0 205.257 2.290 50 0 BEAARN COc1ccsc1C(=O)OCC[C@@H](C)OC ZINC000096442912 175376622 /nfs/dbraw/zinc/37/66/22/175376622.db2.gz PRQGOWRAQSIHNM-MRVPVSSYSA-N 0 0 244.312 2.339 50 0 BEAARN COc1nc(OC)c(Cl)c(OC)c1Cl ZINC000024621968 175395733 /nfs/dbraw/zinc/39/57/33/175395733.db2.gz WSPOVNWWCSXCBN-UHFFFAOYSA-N 0 0 238.070 2.414 50 0 BEAARN COc1nc(OC)nc(-c2cc(F)ccc2C)n1 ZINC000067983284 175396421 /nfs/dbraw/zinc/39/64/21/175396421.db2.gz AJHMPYXTMZTDLK-UHFFFAOYSA-N 0 0 249.245 2.003 50 0 BEAARN COn1c2ccc3nonc3c2c2c1CCCC2 ZINC000000135684 175418299 /nfs/dbraw/zinc/41/82/99/175418299.db2.gz XUEPYELDAHBGCR-UHFFFAOYSA-N 0 0 243.266 2.115 50 0 BEAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC000206754432 175455685 /nfs/dbraw/zinc/45/56/85/175455685.db2.gz STUNUPYMQQOVFG-ZACCUICWSA-N 0 0 225.357 2.281 50 0 BEAARN CSC1=NCCN1C(=O)c1ccc(C)c(C)c1 ZINC000000429369 175456162 /nfs/dbraw/zinc/45/61/62/175456162.db2.gz OJKXXAMWSDFDSV-UHFFFAOYSA-N 0 0 248.351 2.478 50 0 BEAARN CSCCCNC(=O)Nc1ccnc(C)c1 ZINC000096489220 175485397 /nfs/dbraw/zinc/48/53/97/175485397.db2.gz GUFCKEHLAFHDJT-UHFFFAOYSA-N 0 0 239.344 2.265 50 0 BEAARN CSCc1noc(-c2cnn(C(C)C)c2)n1 ZINC000096130450 175533915 /nfs/dbraw/zinc/53/39/15/175533915.db2.gz YXIOZEDMFSECDM-UHFFFAOYSA-N 0 0 238.316 2.377 50 0 BEAARN CSc1nnc(C)n1Cc1ccccc1 ZINC000002659727 175591508 /nfs/dbraw/zinc/59/15/08/175591508.db2.gz UXBLCVKMUWBVQR-UHFFFAOYSA-N 0 0 219.313 2.357 50 0 BEAARN C[C@@H](Cn1cccn1)OC(=O)c1ccsc1 ZINC000096459854 175782174 /nfs/dbraw/zinc/78/21/74/175782174.db2.gz ZRWGRSRIOLFIAF-VIFPVBQESA-N 0 0 236.296 2.190 50 0 BEAARN C[C@@H](NC(=O)CC(C)(C)C)[C@H]1CCCO1 ZINC000012383259 175828217 /nfs/dbraw/zinc/82/82/17/175828217.db2.gz PLKYZQJNQTUESR-NXEZZACHSA-N 0 0 213.321 2.106 50 0 BEAARN C[C@@H](NC(=O)NC1CCCC1)c1ccncc1 ZINC000013328242 175836865 /nfs/dbraw/zinc/83/68/65/175836865.db2.gz JKJWNFVNCFWWJQ-SNVBAGLBSA-N 0 0 233.315 2.384 50 0 BEAARN C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000000474480 175843211 /nfs/dbraw/zinc/84/32/11/175843211.db2.gz IMKSUXZGXPOISN-PWSUYJOCSA-N 0 0 219.284 2.043 50 0 BEAARN C[C@@H](NC(=O)[C@H](C)C1CCC1)c1csnn1 ZINC000334016141 175844276 /nfs/dbraw/zinc/84/42/76/175844276.db2.gz ZAEGHAWBYLDEKG-HTQZYQBOSA-N 0 0 239.344 2.152 50 0 BEAARN C[C@@H](NC(=O)c1ccco1)c1cccnc1 ZINC000048325307 175850291 /nfs/dbraw/zinc/85/02/91/175850291.db2.gz ONGZDWRBOJEBNV-SECBINFHSA-N 0 0 216.240 2.166 50 0 BEAARN C[C@@H](Nc1ncc(F)cn1)c1ccncc1 ZINC000128458907 175936883 /nfs/dbraw/zinc/93/68/83/175936883.db2.gz SVBPRUPKEHWTFR-MRVPVSSYSA-N 0 0 218.235 2.184 50 0 BEAARN C[C@@H](O)[C@@H]1CNc2cc(Br)ccc21 ZINC000057219132 175995640 /nfs/dbraw/zinc/99/56/40/175995640.db2.gz BERTXOJABVEMKO-MUWHJKNJSA-N 0 0 242.116 2.339 50 0 BEAARN C[C@@H](O)c1c(F)cccc1-n1cccn1 ZINC000035631795 175997957 /nfs/dbraw/zinc/99/79/57/175997957.db2.gz PZSHMJVSVZTRKT-MRVPVSSYSA-N 0 0 206.220 2.065 50 0 BEAARN C[C@@H](O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000070621193 175999435 /nfs/dbraw/zinc/99/94/35/175999435.db2.gz CWVCDNJHJPPAQD-KCJUWKMLSA-N 0 0 238.308 2.148 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)N1CCCC1 ZINC000000450288 176005543 /nfs/dbraw/zinc/00/55/43/176005543.db2.gz VUGOWPHZBXHQOZ-LLVKDONJSA-N 0 0 219.284 2.076 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)NCc1ccco1 ZINC000000408634 176005645 /nfs/dbraw/zinc/00/56/45/176005645.db2.gz SIZRKMNHNQIAII-LLVKDONJSA-N 0 0 245.278 2.363 50 0 BEAARN C[C@@H](c1ccc2ccccc2c1)[C@H]([NH3+])C(=O)[O-] ZINC000005721763 176017287 /nfs/dbraw/zinc/01/72/87/176017287.db2.gz LULOASYNEZFLJY-ZANVPECISA-N 0 0 229.279 2.355 50 0 BEAARN C[C@@H](c1nc(C2CC2)no1)N1CCCCC1 ZINC000071186377 176038294 /nfs/dbraw/zinc/03/82/94/176038294.db2.gz XTHQGXQCNMQSIJ-VIFPVBQESA-N 0 0 221.304 2.494 50 0 BEAARN C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000225449548 176052381 /nfs/dbraw/zinc/05/23/81/176052381.db2.gz VJSXSAJVDGYBFZ-MWLCHTKSSA-N 0 0 207.321 2.324 50 0 BEAARN C[C@@H]1CCCCN1C(=O)NCC[C@H]1CCCO1 ZINC000071925626 176067497 /nfs/dbraw/zinc/06/74/97/176067497.db2.gz JDBYKZAQKFGNDU-VXGBXAGGSA-N 0 0 240.347 2.140 50 0 BEAARN C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000006725794 176075008 /nfs/dbraw/zinc/07/50/08/176075008.db2.gz LCFPIRQRJTZNSE-SECBINFHSA-N 0 0 245.369 2.311 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)n1ccnc1 ZINC000032628624 176087327 /nfs/dbraw/zinc/08/73/27/176087327.db2.gz GZPOELWUWAUAJL-NXEZZACHSA-N 0 0 207.277 2.020 50 0 BEAARN C[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 ZINC000032747705 176091731 /nfs/dbraw/zinc/09/17/31/176091731.db2.gz PHWRIRSFUDHUIO-GFCCVEGCSA-N 0 0 232.327 2.273 50 0 BEAARN C[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000012978816 176093861 /nfs/dbraw/zinc/09/38/61/176093861.db2.gz IOQQRVCYVKASMZ-RISCZKNCSA-N 0 0 245.322 2.249 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2ccc(N)cc2)C1 ZINC000000873653 176095603 /nfs/dbraw/zinc/09/56/03/176095603.db2.gz PNJJYGKJDHDGOM-SNVBAGLBSA-N 0 0 218.300 2.141 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)CCCn2ccnc2)C1 ZINC000058107441 176121549 /nfs/dbraw/zinc/12/15/49/176121549.db2.gz OOSFNDWFGAIFOS-CHWSQXEVSA-N 0 0 249.358 2.358 50 0 BEAARN C[C@@H]1CCC[C@]2(C1)NC(=S)N(C(C)(C)C)N2 ZINC000000139825 176152963 /nfs/dbraw/zinc/15/29/63/176152963.db2.gz IARFFTLYQWSPOS-SKDRFNHKSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@@H]1CC[N@H+](CC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000267056101 176168677 /nfs/dbraw/zinc/16/86/77/176168677.db2.gz RVDJMKDZRMUACA-NOZJJQNGSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@@H]1CC[C@H]2C(=O)N(Cc3ccco3)C(=O)[C@@H]2C1 ZINC000101078750 176237447 /nfs/dbraw/zinc/23/74/47/176237447.db2.gz JMMKPJPQXJTMSO-YUSALJHKSA-N 0 0 247.294 2.201 50 0 BEAARN C[C@@H]1CCc2c(sc3ncn(C)c(=O)c23)C1 ZINC000000143670 176239614 /nfs/dbraw/zinc/23/96/14/176239614.db2.gz RLRNHWGPOYHBOH-SSDOTTSWSA-N 0 0 234.324 2.120 50 0 BEAARN C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@@H](C)O1 ZINC000005673171 176244451 /nfs/dbraw/zinc/24/44/51/176244451.db2.gz UKJBMVVQMIRXRG-NXEZZACHSA-N 0 0 213.321 2.058 50 0 BEAARN C[C@@H]1CN(C(=O)NC2CCCCC2)C[C@@H](C)O1 ZINC000000397047 176250983 /nfs/dbraw/zinc/25/09/83/176250983.db2.gz ROQZZFTXXKVCDE-GHMZBOCLSA-N 0 0 240.347 2.138 50 0 BEAARN C[C@@H]1CN(C(=O)OCc2ccccc2)CCC1=O ZINC000034504292 176253798 /nfs/dbraw/zinc/25/37/98/176253798.db2.gz BKCUJRUBSQTDSQ-LLVKDONJSA-N 0 0 247.294 2.234 50 0 BEAARN C[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000023115055 176304190 /nfs/dbraw/zinc/30/41/90/176304190.db2.gz CKUXVHCLKWEFRC-GHMZBOCLSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@@H]1CN=C(Nc2cccc(O)c2)S1 ZINC000004047812 176323959 /nfs/dbraw/zinc/32/39/59/176323959.db2.gz WAICHRCMCQSSEP-SSDOTTSWSA-N 0 0 208.286 2.295 50 0 BEAARN C[C@@H]1C[C@@H](Sc2ccccc2)C(=O)O1 ZINC000032736084 176383690 /nfs/dbraw/zinc/38/36/90/176383690.db2.gz BFJMPYZVXRHURN-PSASIEDQSA-N 0 0 208.282 2.483 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000033000200 176384456 /nfs/dbraw/zinc/38/44/56/176384456.db2.gz FXFOWOCDQSUHIW-SKDRFNHKSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1 ZINC000013327816 176386151 /nfs/dbraw/zinc/38/61/51/176386151.db2.gz HLIGIRHLLXJEBJ-PWSUYJOCSA-N 0 0 203.285 2.001 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1F ZINC000021269933 176386309 /nfs/dbraw/zinc/38/63/09/176386309.db2.gz ZSUNDFGRFWRAHX-SCZZXKLOSA-N 0 0 207.248 2.098 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1nccs1)C1CC1 ZINC000089920456 176386830 /nfs/dbraw/zinc/38/68/30/176386830.db2.gz CDPJTLQMFOROOW-FKTZTGRPSA-N 0 0 236.340 2.366 50 0 BEAARN C[C@@H]1C[C@H](CNC(=O)Nc2cccnc2)CCO1 ZINC000095457620 176414693 /nfs/dbraw/zinc/41/46/93/176414693.db2.gz KBLYHTUHHRWCNZ-GHMZBOCLSA-N 0 0 249.314 2.018 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000013746844 176432658 /nfs/dbraw/zinc/43/26/58/176432658.db2.gz RBKWRERYPKKKEE-HTRCEHHLSA-N 0 0 210.664 2.330 50 0 BEAARN C[C@@]([NH3+])(CCSCc1ccccc1)C(=O)[O-] ZINC000029753871 176512469 /nfs/dbraw/zinc/51/24/69/176512469.db2.gz SPJSMNWJNWKBOQ-GFCCVEGCSA-N 0 0 239.340 2.112 50 0 BEAARN C[C@H](NC(=O)NC1CCCC1)c1ccccn1 ZINC000013744645 176800259 /nfs/dbraw/zinc/80/02/59/176800259.db2.gz HQJNDQAUBWFFSW-JTQLQIEISA-N 0 0 233.315 2.384 50 0 BEAARN C[C@H](O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000070621192 177016993 /nfs/dbraw/zinc/01/69/93/177016993.db2.gz CWVCDNJHJPPAQD-KWQFWETISA-N 0 0 238.308 2.148 50 0 BEAARN C[C@H](O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000070621190 177017547 /nfs/dbraw/zinc/01/75/47/177017547.db2.gz CWVCDNJHJPPAQD-GZMMTYOYSA-N 0 0 238.308 2.148 50 0 BEAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)C ZINC000012380291 177022565 /nfs/dbraw/zinc/02/25/65/177022565.db2.gz KBIPTCBSNLWIPV-QMMMGPOBSA-N 0 0 227.691 2.196 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccon1 ZINC000012380964 177024299 /nfs/dbraw/zinc/02/42/99/177024299.db2.gz PNJUZKLCJXJISV-VIFPVBQESA-N 0 0 232.239 2.081 50 0 BEAARN C[C@H](Oc1ccccc1)c1ccnc2ncnn21 ZINC000001393348 177024698 /nfs/dbraw/zinc/02/46/98/177024698.db2.gz FNIGKRUEDGCZJM-JTQLQIEISA-N 0 0 240.266 2.264 50 0 BEAARN C[C@H](Oc1ccccc1)c1ccnc(N)n1 ZINC000002508408 177024813 /nfs/dbraw/zinc/02/48/13/177024813.db2.gz PGIJNPSOZSWWBZ-VIFPVBQESA-N 0 0 215.256 2.199 50 0 BEAARN C[C@@H](S[C@@H](C)C(N)=O)c1ccc(F)cc1 ZINC000045090881 177028322 /nfs/dbraw/zinc/02/83/22/177028322.db2.gz YREWRJBWCBBYPF-SFYZADRCSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@H]1CC(=O)CN(Cc2ccccc2)C1 ZINC000068593097 177061487 /nfs/dbraw/zinc/06/14/87/177061487.db2.gz LQHLLGBMPQNQLJ-NSHDSACASA-N 0 0 203.285 2.098 50 0 BEAARN C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003195871 177078636 /nfs/dbraw/zinc/07/86/36/177078636.db2.gz YZJCDAPHRDTDQY-NSHDSACASA-N 0 0 239.340 2.250 50 0 BEAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C=O)[nH]1 ZINC000170653483 177087045 /nfs/dbraw/zinc/08/70/45/177087045.db2.gz KERVMWIDMSTHDI-GXFFZTMASA-N 0 0 248.326 2.478 50 0 BEAARN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnccn1 ZINC000032787748 177087585 /nfs/dbraw/zinc/08/75/85/177087585.db2.gz IEJIMLDSAATWGJ-CMPLNLGQSA-N 0 0 233.315 2.127 50 0 BEAARN C[C@H]1CCCN(C(=O)CSC(F)(F)F)C1 ZINC000040513885 177092031 /nfs/dbraw/zinc/09/20/31/177092031.db2.gz ZVXQESVBBBJSOA-ZETCQYMHSA-N 0 0 241.278 2.498 50 0 BEAARN C[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000000029277 177092786 /nfs/dbraw/zinc/09/27/86/177092786.db2.gz MWJUIOVZXZYXQX-LBPRGKRZSA-N 0 0 217.312 2.488 50 0 BEAARN C[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000012978818 177093517 /nfs/dbraw/zinc/09/35/17/177093517.db2.gz IOQQRVCYVKASMZ-FZMZJTMJSA-N 0 0 245.322 2.249 50 0 BEAARN C[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000005264204 177096851 /nfs/dbraw/zinc/09/68/51/177096851.db2.gz KZPBEDTXPQBHPX-JTQLQIEISA-N 0 0 243.310 2.435 50 0 BEAARN C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000000270031 177103354 /nfs/dbraw/zinc/10/33/54/177103354.db2.gz SOGPHQRDWZPROD-VIFPVBQESA-N 0 0 245.369 2.169 50 0 BEAARN C[C@H]1CCCN1C1=NC(=O)[C@H](c2ccccc2)O1 ZINC000039255741 177109323 /nfs/dbraw/zinc/10/93/23/177109323.db2.gz BCKCCDOJBTUCJQ-JQWIXIFHSA-N 0 0 244.294 2.125 50 0 BEAARN C[C@H]1CCc2c(sc3[nH]cnc(=O)c23)C1 ZINC000000048677 177209743 /nfs/dbraw/zinc/20/97/43/177209743.db2.gz YSMXTYUERRJGMR-LURJTMIESA-N 0 0 220.297 2.109 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2ccccc2)C[C@H](C)O1 ZINC000012341549 177221421 /nfs/dbraw/zinc/22/14/21/177221421.db2.gz MGCIRSKGOOGNNJ-PHIMTYICSA-N 0 0 234.299 2.328 50 0 BEAARN C[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O ZINC000034504295 177222115 /nfs/dbraw/zinc/22/21/15/177222115.db2.gz BKCUJRUBSQTDSQ-NSHDSACASA-N 0 0 247.294 2.234 50 0 BEAARN C[C@H]1CN(C(=S)c2ccccc2)C[C@H](C)O1 ZINC000000457688 177232818 /nfs/dbraw/zinc/23/28/18/177232818.db2.gz UNZKQJMVXLJXRG-QWRGUYRKSA-N 0 0 235.352 2.471 50 0 BEAARN C[C@@H]1CN(C(=S)c2ccccc2)C[C@H](C)O1 ZINC000012341615 177233157 /nfs/dbraw/zinc/23/31/57/177233157.db2.gz UNZKQJMVXLJXRG-PHIMTYICSA-N 0 0 235.352 2.471 50 0 BEAARN C[C@@H]1CN(Cc2cccs2)C[C@H](C)O1 ZINC000012341303 177268267 /nfs/dbraw/zinc/26/82/67/177268267.db2.gz YXVFKFIMGUYAFF-AOOOYVTPSA-N 0 0 211.330 2.357 50 0 BEAARN C[C@H]1COC[C@H](C)N1C(=O)Nc1ccccc1 ZINC000040634696 177299337 /nfs/dbraw/zinc/29/93/37/177299337.db2.gz YHUZAHVPIQCQGA-QWRGUYRKSA-N 0 0 234.299 2.328 50 0 BEAARN C[C@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1 ZINC000059868437 177335375 /nfs/dbraw/zinc/33/53/75/177335375.db2.gz LGJNBRYQEIZFMK-AAEUAGOBSA-N 0 0 249.310 2.168 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1F ZINC000071899794 177340472 /nfs/dbraw/zinc/34/04/72/177340472.db2.gz NPSFRUGKWZCSFS-KWQFWETISA-N 0 0 239.265 2.280 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N1CCN(C)Cc2ccccc21 ZINC000089920449 177340549 /nfs/dbraw/zinc/34/05/49/177340549.db2.gz VSPNQOVMEANQFU-AAEUAGOBSA-N 0 0 244.338 2.121 50 0 BEAARN C[C@H](CC(=O)c1ccccc1)NC(=O)[C@H]1C[C@@H]1C ZINC000110680316 177340815 /nfs/dbraw/zinc/34/08/15/177340815.db2.gz MYYFCSUERNVDTI-LOWVWBTDSA-N 0 0 245.322 2.420 50 0 BEAARN C[C@H]1C[C@H](C)CN(Cc2nc(C3CC3)no2)C1 ZINC000043999581 177359062 /nfs/dbraw/zinc/35/90/62/177359062.db2.gz JCOZVKDSLFHXNN-UWVGGRQHSA-N 0 0 235.331 2.425 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000040457428 177376590 /nfs/dbraw/zinc/37/65/90/177376590.db2.gz SSVHQJDZKYMPPD-JOYOIKCWSA-N 0 0 221.275 2.140 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013327496 177377060 /nfs/dbraw/zinc/37/70/60/177377060.db2.gz VNZRLJBSEBRLBD-WCBMZHEXSA-N 0 0 233.267 2.052 50 0 BEAARN C[C@H]1Cn2c(nnc2-c2cccc(O)c2)S1 ZINC000000109429 177392431 /nfs/dbraw/zinc/39/24/31/177392431.db2.gz QIFXHKWRDDZATG-ZETCQYMHSA-N 0 0 233.296 2.145 50 0 BEAARN C[C@H]1N(CCC(N)=O)c2ccccc2C1(C)C ZINC000000052128 177392650 /nfs/dbraw/zinc/39/26/50/177392650.db2.gz KHEWCDYWAJRYGB-SNVBAGLBSA-N 0 0 232.327 2.048 50 0 biogenic BEAARN Cc1[nH]ccc1C(=O)N1CCOCC12CCCC2 ZINC000095447590 177521391 /nfs/dbraw/zinc/52/13/91/177521391.db2.gz DUHGCVSHTLGFCG-UHFFFAOYSA-N 0 0 248.326 2.108 50 0 BEAARN Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2C)cnn1C ZINC000058290938 177561840 /nfs/dbraw/zinc/56/18/40/177561840.db2.gz BWOJCSAHYVCLNS-MFKMUULPSA-N 0 0 249.358 2.379 50 0 BEAARN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CO)O2 ZINC000029315250 177576992 /nfs/dbraw/zinc/57/69/92/177576992.db2.gz PKYWXDRQTMJSJK-AWEZNQCLSA-N 0 0 236.311 2.393 50 0 BEAARN Cc1cc(CN2CCO[C@@H]3CCCC[C@H]32)no1 ZINC000245285842 487692488 /nfs/dbraw/zinc/69/24/88/487692488.db2.gz YZNQZLISJYICKU-CHWSQXEVSA-N 0 0 236.315 2.126 50 0 BEAARN Cc1ccnc(NC(=O)Cc2ccccc2C)n1 ZINC000032859928 487694088 /nfs/dbraw/zinc/69/40/88/487694088.db2.gz KKENFWZBGDPPEL-UHFFFAOYSA-N 0 0 241.294 2.275 50 0 BEAARN OCCC[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000043763600 262790143 /nfs/dbraw/zinc/79/01/43/262790143.db2.gz VEYUXCXBHCLHRF-QWHCGFSZSA-N 0 0 222.284 2.263 50 0 BEAARN COC(=O)[C@@H]1CC[C@](C)(c2ccccc2)C[C@@H]1O ZINC000101093652 262790955 /nfs/dbraw/zinc/79/09/55/262790955.db2.gz VDEOOOAGQZSXHA-IPYPFGDCSA-N 0 0 248.322 2.278 50 0 BEAARN C=C(C)CN1c2ccccc2C(=C(C#N)C#N)C1=O ZINC000001320739 263608570 /nfs/dbraw/zinc/60/85/70/263608570.db2.gz RJZUYZHLSOKTTO-UHFFFAOYSA-N 0 0 249.273 2.410 50 0 BEAARN Cc1cccc(NC2=CCS(=O)(=O)C2)c1 ZINC000003866161 487791304 /nfs/dbraw/zinc/79/13/04/487791304.db2.gz SYMLRWFALRWNHF-UHFFFAOYSA-N 0 0 223.297 2.067 50 0 BEAARN Cc1ccc(CN(C)[C@@H]2C[C@@H](C)OC2=O)c(C)c1 ZINC000107569457 487818449 /nfs/dbraw/zinc/81/84/49/487818449.db2.gz LCGBZLIALHHGHC-TZMCWYRMSA-N 0 0 247.338 2.439 50 0 BEAARN CN(Cc1ccco1)C(=O)Nc1ccncc1F ZINC000095940257 322946279 /nfs/dbraw/zinc/94/62/79/322946279.db2.gz ROSRQEJMTAPRTN-UHFFFAOYSA-N 0 0 249.245 2.478 50 0 BEAARN CCc1ccc(C(=O)Oc2c(C)nn(C)c2C)o1 ZINC000083825374 487938794 /nfs/dbraw/zinc/93/87/94/487938794.db2.gz BHONRNCQCPHWJW-UHFFFAOYSA-N 0 0 248.282 2.412 50 0 BEAARN CSc1nc2ccc(F)cc2c(=O)[nH]1 ZINC000049068637 487942969 /nfs/dbraw/zinc/94/29/69/487942969.db2.gz VKOGKJDGAKXNMD-UHFFFAOYSA-N 0 0 210.233 2.196 50 0 BEAARN CC(C)Cn1cc(/C=C\c2ccncn2)cn1 ZINC000561619438 323004613 /nfs/dbraw/zinc/00/46/13/323004613.db2.gz WKXZTAXZJPRCQR-ARJAWSKDSA-N 0 0 228.299 2.500 50 0 BEAARN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1CO ZINC000133950266 323020776 /nfs/dbraw/zinc/02/07/76/323020776.db2.gz BPKAEEYPAOZYCT-ZETCQYMHSA-N 0 0 235.205 2.212 50 0 BEAARN CC1(C)CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCS1 ZINC000246315514 323128195 /nfs/dbraw/zinc/12/81/95/323128195.db2.gz CTFCKNYNLONWAS-URLYPYJESA-N 0 0 239.384 2.387 50 0 BEAARN Cc1cc(C(=O)NCC[C@@H]2CCOC2)cs1 ZINC000534581223 323153811 /nfs/dbraw/zinc/15/38/11/323153811.db2.gz JXVKCCVPAVNBPZ-SNVBAGLBSA-N 0 0 239.340 2.213 50 0 BEAARN CC(C)(C)c1ncc(C(=O)NC2CC2)s1 ZINC000049045803 323156633 /nfs/dbraw/zinc/15/66/33/323156633.db2.gz UAHLEYMGDRVGDR-UHFFFAOYSA-N 0 0 224.329 2.333 50 0 BEAARN COc1c(N)cc[nH+]c1-c1ccccc1C(=O)[O-] ZINC000534634276 323156812 /nfs/dbraw/zinc/15/68/12/323156812.db2.gz SKGFHCBZTHVNLN-UHFFFAOYSA-N 0 0 244.250 2.038 50 0 BEAARN CC/C=C/CC(=O)NC[C@@H](C)n1cc(C)cn1 ZINC000534648379 323158203 /nfs/dbraw/zinc/15/82/03/323158203.db2.gz CYGSLSHZECCXLJ-BTDICHCPSA-N 0 0 235.331 2.225 50 0 BEAARN CC[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1C ZINC000534676744 323159140 /nfs/dbraw/zinc/15/91/40/323159140.db2.gz KMCAGKMFXOGKEI-NSHDSACASA-N 0 0 246.310 2.106 50 0 BEAARN O=C(NC1CC1)c1cnc(-c2ccccc2)nc1 ZINC000049423205 323160803 /nfs/dbraw/zinc/16/08/03/323160803.db2.gz RKWXKEDIGDUJJL-UHFFFAOYSA-N 0 0 239.278 2.036 50 0 BEAARN Fc1cc(Br)ccc1OC[C@@H]1CO1 ZINC000034957313 323235541 /nfs/dbraw/zinc/23/55/41/323235541.db2.gz GQGJOZRFBLNFIN-ZETCQYMHSA-N 0 0 247.063 2.366 50 0 BEAARN O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CO ZINC000014000430 323235820 /nfs/dbraw/zinc/23/58/20/323235820.db2.gz IURZKMSBOMRZOL-UHFFFAOYSA-N 0 0 235.670 2.188 50 0 BEAARN OCc1c[nH]c(-c2ccc(F)cc2Cl)n1 ZINC000062820521 323236467 /nfs/dbraw/zinc/23/64/67/323236467.db2.gz ZMRXDINVFHSDSI-UHFFFAOYSA-N 0 0 226.638 2.362 50 0 BEAARN Cc1ccc(C2(O)CCC(=O)CC2)cc1 ZINC000084323244 323237311 /nfs/dbraw/zinc/23/73/11/323237311.db2.gz COHHDKBOPDVULP-UHFFFAOYSA-N 0 0 204.269 2.326 50 0 BEAARN Cc1ccc(CC(=O)Nc2nccn2C)cc1C ZINC000563942152 323328690 /nfs/dbraw/zinc/32/86/90/323328690.db2.gz HPNKEBPKHVWWRH-UHFFFAOYSA-N 0 0 243.310 2.218 50 0 BEAARN CN(C(=O)c1ccco1)c1ncccc1F ZINC000131136211 325120791 /nfs/dbraw/zinc/12/07/91/325120791.db2.gz OEVFJISFHSCDPQ-UHFFFAOYSA-N 0 0 220.203 2.090 50 0 BEAARN CN(C(=O)c1ccoc1)c1ncccc1F ZINC000131351082 325140436 /nfs/dbraw/zinc/14/04/36/325140436.db2.gz OBBOQYRRFGXKHH-UHFFFAOYSA-N 0 0 220.203 2.090 50 0 BEAARN O=C(C1CCCC1)N1Cc2cccnc2C1 ZINC000555536607 325760822 /nfs/dbraw/zinc/76/08/22/325760822.db2.gz RNUPJRCMFQFBHK-UHFFFAOYSA-N 0 0 216.284 2.114 50 0 BEAARN C[C@H](N[C@@H](C)c1nccn1C)c1cscn1 ZINC000566865152 326089924 /nfs/dbraw/zinc/08/99/24/326089924.db2.gz USHZXCKBKDDEAS-IUCAKERBSA-N 0 0 236.344 2.288 50 0 BEAARN CC(C)c1nnc(NCC2(C)CCOCC2)o1 ZINC000158675263 326336862 /nfs/dbraw/zinc/33/68/62/326336862.db2.gz GERJRPRGMJUZAY-UHFFFAOYSA-N 0 0 239.319 2.422 50 0 BEAARN CCOCCn1c(C)nc2ccccc21 ZINC000002318248 488009936 /nfs/dbraw/zinc/00/99/36/488009936.db2.gz NMYVAUGOQOQAFB-UHFFFAOYSA-N 0 0 204.273 2.381 50 0 BEAARN CC(C)C(=O)N1CCn2c3ccccc3nc21 ZINC000012537295 488010430 /nfs/dbraw/zinc/01/04/30/488010430.db2.gz ZYVQJGPOURBRCO-UHFFFAOYSA-N 0 0 229.283 2.039 50 0 BEAARN C[C@@H](Oc1ccccc1C(N)=O)C(F)(F)F ZINC000084139731 488013989 /nfs/dbraw/zinc/01/39/89/488013989.db2.gz IRSTUQFWAGUUKP-ZCFIWIBFSA-N 0 0 233.189 2.115 50 0 BEAARN CCC[C@@H]1CCCC[C@H]1NC(=O)NOC ZINC000084740640 488089418 /nfs/dbraw/zinc/08/94/18/488089418.db2.gz OYRZZYUUWOKQAM-NXEZZACHSA-N 0 0 214.309 2.206 50 0 BEAARN CC[C@H]1CCN(Cc2nc(C(F)(F)F)no2)C1 ZINC000670451137 487502591 /nfs/dbraw/zinc/50/25/91/487502591.db2.gz AUXCHXFHOSRWIZ-ZETCQYMHSA-N 0 0 249.236 2.320 50 0 BEAARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)C1CC=CC1 ZINC000670461979 487515747 /nfs/dbraw/zinc/51/57/47/487515747.db2.gz ZYKJFWYHGAMSNC-MRVPVSSYSA-N 0 0 233.315 2.170 50 0 BEAARN Cn1nncc1CN1CCCCc2sccc21 ZINC000685580756 487558098 /nfs/dbraw/zinc/55/80/98/487558098.db2.gz OQTZGJHFKAGGLS-UHFFFAOYSA-N 0 0 248.355 2.220 50 0 BEAARN COC(=O)c1c(C)[nH]c2ccc(OC(C)=O)cc21 ZINC000642880895 487753765 /nfs/dbraw/zinc/75/37/65/487753765.db2.gz YSDVEBGXSKCKHD-UHFFFAOYSA-N 0 0 247.250 2.188 50 0 BEAARN CN(C)c1nccc(N(C)CC2CCCC2)n1 ZINC000077213780 488159515 /nfs/dbraw/zinc/15/95/15/488159515.db2.gz BZWRLOJKSYBBKQ-UHFFFAOYSA-N 0 0 234.347 2.169 50 0 BEAARN C[Si]1(C)c2ccccc2-c2ccccc21 ZINC000195754907 491068714 /nfs/dbraw/zinc/06/87/14/491068714.db2.gz YJQFTKVGILQPMC-UHFFFAOYSA-N 0 0 210.352 2.490 50 0 BEAARN Cc1ccc(CS(=O)(=O)c2ccccn2)cc1 ZINC000047620480 491071633 /nfs/dbraw/zinc/07/16/33/491071633.db2.gz XQAVCJHXNRTNEB-UHFFFAOYSA-N 0 0 247.319 2.364 50 0 BEAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC1CC1 ZINC000095453698 491103823 /nfs/dbraw/zinc/10/38/23/491103823.db2.gz DSCAPUXXJHIVKL-NSHDSACASA-N 0 0 248.330 2.035 50 0 BEAARN O=C(c1ccc[nH]1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000072140437 491122458 /nfs/dbraw/zinc/12/24/58/491122458.db2.gz MIYVVJOGEWPBMF-BKUVIOGVSA-N 0 0 230.311 2.133 50 0 BEAARN O=C(c1cccc(Cl)c1F)N1CCCO1 ZINC000097083466 491124740 /nfs/dbraw/zinc/12/47/40/491124740.db2.gz GSZKGLXHLDHQCD-UHFFFAOYSA-N 0 0 229.638 2.257 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000082791314 491155013 /nfs/dbraw/zinc/15/50/13/491155013.db2.gz XJUWWICONBBZQF-MRVPVSSYSA-N 0 0 239.702 2.171 50 0 BEAARN CCN(CC)c1ccc(C=O)c(OC)c1 ZINC000000274670 517643449 /nfs/dbraw/zinc/64/34/49/517643449.db2.gz FJBDMJZBYSCLLJ-UHFFFAOYSA-N 0 0 207.273 2.354 50 0 BEAARN COC(=O)c1cnc2cccc(C(C)=O)c2c1 ZINC000498047553 534310352 /nfs/dbraw/zinc/31/03/52/534310352.db2.gz DYKJITIMBPTORA-UHFFFAOYSA-N 0 0 229.235 2.224 50 0 BEAARN CC(C)(C)C(=O)COC(=O)/C=C\c1ccco1 ZINC000035262777 518556136 /nfs/dbraw/zinc/55/61/36/518556136.db2.gz UVSIGLCTDPGEKF-SREVYHEPSA-N 0 0 236.267 2.451 50 0 BEAARN CC(C)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000257183692 519474116 /nfs/dbraw/zinc/47/41/16/519474116.db2.gz SEZDEPMJQMWMTF-ZDUSSCGKSA-N 0 0 233.311 2.322 50 0 BEAARN CC(C)CCC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000071856890 519635700 /nfs/dbraw/zinc/63/57/00/519635700.db2.gz SZCLATYVQAURHT-AWEZNQCLSA-N 0 0 249.354 2.142 50 0 BEAARN CCOCCN(C)C(=O)NC[C@H]1CC=CCC1 ZINC000093403490 519903203 /nfs/dbraw/zinc/90/32/03/519903203.db2.gz MRYOAWHWJDXZBT-LBPRGKRZSA-N 0 0 240.347 2.021 50 0 BEAARN CCCS(=O)(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000250285764 520533892 /nfs/dbraw/zinc/53/38/92/520533892.db2.gz ZODXDINLKXMRFF-HBNTYKKESA-N 0 0 233.377 2.141 50 0 BEAARN CCCCNC(=O)c1ccc(Cn2cccn2)o1 ZINC000069454347 520684211 /nfs/dbraw/zinc/68/42/11/520684211.db2.gz JVHVCMMNPNHLGB-UHFFFAOYSA-N 0 0 247.298 2.054 50 0 BEAARN CCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000003640823 521239484 /nfs/dbraw/zinc/23/94/84/521239484.db2.gz FNFSOYGIQWSIEX-UHFFFAOYSA-N 0 0 224.256 2.305 50 0 BEAARN CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000249034188 521882335 /nfs/dbraw/zinc/88/23/35/521882335.db2.gz WRPVWLVVAPYMEE-OLZOCXBDSA-N 0 0 248.326 2.036 50 0 BEAARN CCn1ccc(CN(C)Cc2c(C)noc2C)n1 ZINC000244594269 523493201 /nfs/dbraw/zinc/49/32/01/523493201.db2.gz DJOAXHDWJVQICP-UHFFFAOYSA-N 0 0 248.330 2.140 50 0 BEAARN COC(=O)[C@@](C)(N)c1ccccc1C(F)(F)F ZINC000037514700 523818998 /nfs/dbraw/zinc/81/89/98/523818998.db2.gz KUPGWMNVPSHOKW-JTQLQIEISA-N 0 0 247.216 2.052 50 0 biogenic BEAARN CNC(=O)Nc1cccc(-n2cccc2)c1 ZINC000390834366 524080068 /nfs/dbraw/zinc/08/00/68/524080068.db2.gz XFFYZKVDACPOMP-UHFFFAOYSA-N 0 0 215.256 2.229 50 0 BEAARN C[C@H](NC(=O)C[C@@H]1C=CCC1)[C@H]1CCCO1 ZINC000240412684 524981320 /nfs/dbraw/zinc/98/13/20/524981320.db2.gz FNTBMUSIRMAWMP-QJPTWQEYSA-N 0 0 223.316 2.026 50 0 BEAARN C[C@@H](NC(=O)C1CC=CC1)c1nc(C2CC2)no1 ZINC000244758108 525064652 /nfs/dbraw/zinc/06/46/52/525064652.db2.gz OSOQTLZBCNFWAX-MRVPVSSYSA-N 0 0 247.298 2.090 50 0 BEAARN C[C@H](NC(N)=O)C12CC3CC(CC(C3)C1)C2 ZINC000003995670 525283213 /nfs/dbraw/zinc/28/32/13/525283213.db2.gz NMBVEIZNXHUWAS-RERGEOBBSA-N 0 0 222.332 2.260 50 0 BEAARN Cc1cc(C(=O)CSc2nccn2C)c(C)[nH]1 ZINC000035054776 526214907 /nfs/dbraw/zinc/21/49/07/526214907.db2.gz KGHORPHINIXSKT-UHFFFAOYSA-N 0 0 249.339 2.340 50 0 BEAARN O=C(NCC[C@H]1CCCO1)NCc1ccccc1 ZINC000025236733 526389660 /nfs/dbraw/zinc/38/96/60/526389660.db2.gz UMBDXVFHHGEBAV-CYBMUJFWSA-N 0 0 248.326 2.055 50 0 BEAARN c1cc(SCCOC[C@@H]2CCCO2)ccn1 ZINC000089884988 526436676 /nfs/dbraw/zinc/43/66/76/526436676.db2.gz GILHCLPYBIGWDT-NSHDSACASA-N 0 0 239.340 2.369 50 0 BEAARN c1coc(CNc2ccnn2C[C@@H]2CCOC2)c1 ZINC000236612439 526567107 /nfs/dbraw/zinc/56/71/07/526567107.db2.gz AFCJJROBJAZAJR-NSHDSACASA-N 0 0 247.298 2.125 50 0 BEAARN O=C(NCc1ccccc1F)NCC1CC1 ZINC000057536098 526751272 /nfs/dbraw/zinc/75/12/72/526751272.db2.gz JHBAMNWUAQYKDP-UHFFFAOYSA-N 0 0 222.263 2.035 50 0 BEAARN O=C(COCC1CC1)NCC1CCCCC1 ZINC000040529810 526928836 /nfs/dbraw/zinc/92/88/36/526928836.db2.gz ZPRXTAKPSDGWRK-UHFFFAOYSA-N 0 0 225.332 2.110 50 0 BEAARN [NH3+]C[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000002586086 527202575 /nfs/dbraw/zinc/20/25/75/527202575.db2.gz OWUCQTYNFQLYOY-SSDOTTSWSA-N 0 0 248.109 2.195 50 0 BEAARN CCCN1c2ccccc2[C@@H](C(N)=O)C[C@@H]1C ZINC000065462776 535005522 /nfs/dbraw/zinc/00/55/22/535005522.db2.gz JATCQMNAJOMXKN-JQWIXIFHSA-N 0 0 232.327 2.264 50 0 BEAARN CCc1ccc(N2CN(CC)CNC2=S)cc1 ZINC000020190960 536185378 /nfs/dbraw/zinc/18/53/78/536185378.db2.gz LAVQDULIEYSZHS-UHFFFAOYSA-N 0 0 249.383 2.180 50 0 BEAARN CN1C(=O)CNc2cc(Cl)c(Cl)cc21 ZINC000057933600 536314201 /nfs/dbraw/zinc/31/42/01/536314201.db2.gz HJAHWUCQCIIYHR-UHFFFAOYSA-N 0 0 231.082 2.382 50 0 BEAARN COc1cc2c(cc1OC)C1(CCC1)[NH2+]CC2 ZINC000498036615 582599956 /nfs/dbraw/zinc/59/99/56/582599956.db2.gz QIGRQDOJLQUIBX-UHFFFAOYSA-N 0 0 233.311 2.229 50 0 BEAARN CCOC(=O)[C@H](CC)C(=O)C(C)(C)C ZINC000043502666 582790974 /nfs/dbraw/zinc/79/09/74/582790974.db2.gz QDYVJSMPFVBBNO-MRVPVSSYSA-N 0 0 200.278 2.191 50 0 BEAARN CCC[C@@H]1CCC(O)=C(C(=O)OCC)C1 ZINC000043651397 582805670 /nfs/dbraw/zinc/80/56/70/582805670.db2.gz XIPCNPGUFDSAMZ-NXEZZACHSA-N 0 0 212.289 2.335 50 0 BEAARN CCC[C@@H]1CCC(O)=C(C(=O)OCC)C1 ZINC000043651399 582805787 /nfs/dbraw/zinc/80/57/87/582805787.db2.gz XIPCNPGUFDSAMZ-ZJUUUORDSA-N 0 0 212.289 2.335 50 0 BEAARN CC(C)n1nccc1/C=C\c1cccnn1 ZINC000888099482 583181126 /nfs/dbraw/zinc/18/11/26/583181126.db2.gz MFSPKNYCIBLOEO-WAYWQWQTSA-N 0 0 214.272 2.424 50 0 BEAARN c1sc(-c2ccncn2)nc1[C@@H]1CCOC1 ZINC000888102027 583181788 /nfs/dbraw/zinc/18/17/88/583181788.db2.gz UXZXAISWEZYONM-MRVPVSSYSA-N 0 0 233.296 2.104 50 0 BEAARN C=CC(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC000888102354 583182571 /nfs/dbraw/zinc/18/25/71/583182571.db2.gz XDIGKSPYHPGRLZ-UHFFFAOYSA-N 0 0 248.301 2.097 50 0 BEAARN C=CC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000791316063 585977166 /nfs/dbraw/zinc/97/71/66/585977166.db2.gz GKSXROLUSDHEKG-LBPRGKRZSA-N 0 0 215.296 2.409 50 0 BEAARN C=CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000791325093 585977412 /nfs/dbraw/zinc/97/74/12/585977412.db2.gz ZGXHGIIGQQSLRL-UHFFFAOYSA-N 0 0 245.322 2.037 50 0 BEAARN C=CC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000791352231 585978670 /nfs/dbraw/zinc/97/86/70/585978670.db2.gz ULWKBFSCZFAJRK-UHFFFAOYSA-N 0 0 230.267 2.086 50 0 BEAARN O=C([O-])[C@H]1CCC[NH2+][C@H]1C1CCCCC1 ZINC000107470338 588367065 /nfs/dbraw/zinc/36/70/65/588367065.db2.gz CBOZOKCIVVNMIY-QWRGUYRKSA-N 0 0 211.305 2.020 50 0 BEAARN C=CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000848978985 588422806 /nfs/dbraw/zinc/42/28/06/588422806.db2.gz GBTDCKIPILNTSR-OCCSQVGLSA-N 0 0 249.285 2.348 50 0 BEAARN C=CC(=O)N1CCCN(C)c2ccccc21 ZINC000848978963 588422945 /nfs/dbraw/zinc/42/29/45/588422945.db2.gz DZTNDPZTBJEPGD-UHFFFAOYSA-N 0 0 216.284 2.046 50 0 BEAARN C=CC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000848979582 588423184 /nfs/dbraw/zinc/42/31/84/588423184.db2.gz SGPFWGTWUTXBQT-UHFFFAOYSA-N 0 0 223.222 2.307 50 0 BEAARN C=CC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000848979378 588423411 /nfs/dbraw/zinc/42/34/11/588423411.db2.gz VCIMAQVYRCJCPN-CYBMUJFWSA-N 0 0 245.322 2.415 50 0 BEAARN C=CC(=O)Nc1ccc2c(ccnc2OC)c1 ZINC000863971307 589330322 /nfs/dbraw/zinc/33/03/22/589330322.db2.gz NZOBFRVYGUKLBF-UHFFFAOYSA-N 0 0 228.251 2.368 50 0 BEAARN c1cc(-c2nnc3n2CCCC3)cc2c1OCO2 ZINC000863981837 589332840 /nfs/dbraw/zinc/33/28/40/589332840.db2.gz NCXWDTNTGZJLJU-UHFFFAOYSA-N 0 0 243.266 2.010 50 0 BEAARN CC(C)CCN(C)c1cccc(F)c1C(N)=O ZINC000864232453 589348612 /nfs/dbraw/zinc/34/86/12/589348612.db2.gz ANMDZBPWTZILCK-UHFFFAOYSA-N 0 0 238.306 2.407 50 0 BEAARN CC(C)OCC(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000885605221 592087375 /nfs/dbraw/zinc/08/73/75/592087375.db2.gz ZTNGLVTXRSLSNI-SNVBAGLBSA-N 0 0 249.310 2.374 50 0 BEAARN O=C(O[C@H]1CCCC(=O)C1)c1ccccc1 ZINC000140374572 592468425 /nfs/dbraw/zinc/46/84/25/592468425.db2.gz SWVSKVATFCRHJX-LBPRGKRZSA-N 0 0 218.252 2.355 50 0 BEAARN Nc1nc2ccc3scnc3c2s1 ZINC000075172780 631254495 /nfs/dbraw/zinc/25/44/95/631254495.db2.gz QKDFGBUSMQNQNA-UHFFFAOYSA-N 0 0 207.283 2.488 50 0 BEAARN C[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(=O)[O-] ZINC000000270457 632949146 /nfs/dbraw/zinc/94/91/46/632949146.db2.gz RLDYLNBTVOECPS-UWVGGRQHSA-N 0 0 207.273 2.058 50 0 BEAARN c1cn(Cc2ccc(-c3cncnc3)cc2)cn1 ZINC000029131227 636109923 /nfs/dbraw/zinc/10/99/23/636109923.db2.gz WCJRWPHNXJZMKF-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN CCC1CCC2(CC1)[NH2+][C@@H](C(=O)[O-])CS2 ZINC000004855389 635117842 /nfs/dbraw/zinc/11/78/42/635117842.db2.gz ZBZFJJPNXBZWPC-INWMGODYSA-N 0 0 229.345 2.073 50 0 BEAARN C=CC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000888093362 635363288 /nfs/dbraw/zinc/36/32/88/635363288.db2.gz WKJPGMPSUCKGHN-ZDUSSCGKSA-N 0 0 249.285 2.220 50 0 BEAARN C=CC(=O)N[C@H](C)[C@H]1Cc2ccccc21 ZINC000888098614 635376879 /nfs/dbraw/zinc/37/68/79/635376879.db2.gz QWDHKZHMPLMIJC-BXKDBHETSA-N 0 0 201.269 2.017 50 0 BEAARN C=CC(=O)N1CCC(c2cscn2)CC1 ZINC000888098479 635377023 /nfs/dbraw/zinc/37/70/23/635377023.db2.gz IVMLXTJTLMIHBC-UHFFFAOYSA-N 0 0 222.313 2.035 50 0 BEAARN CC(C)CNC(=O)NC(=O)C1CCCCC1 ZINC000006634475 636535783 /nfs/dbraw/zinc/53/57/83/636535783.db2.gz ZYFXJWXBKBCMFA-UHFFFAOYSA-N 0 0 226.320 2.049 50 0 BEAARN C=CC(=O)NCCc1ccnc2ccccc12 ZINC000863971136 636732031 /nfs/dbraw/zinc/73/20/31/636732031.db2.gz GUIGZRIDCVEKPQ-UHFFFAOYSA-N 0 0 226.279 2.080 50 0 BEAARN CN(C)S(=O)(=O)/C=C/C=C\c1ccccc1 ZINC000222036317 640448199 /nfs/dbraw/zinc/44/81/99/640448199.db2.gz XEMTZDBJOJTVSS-NAKBGQTNSA-N 0 0 237.324 2.105 50 0 BEAARN c1ccc2c(c1)ncnc2OCC1CC1 ZINC000231219426 641149094 /nfs/dbraw/zinc/14/90/94/641149094.db2.gz AXAWTDBLNOJBLT-UHFFFAOYSA-N 0 0 200.241 2.419 50 0 BEAARN COc1cccnc1-c1ccc(CO)cc1 ZINC000032533108 641352870 /nfs/dbraw/zinc/35/28/70/641352870.db2.gz UVTVRDQUHZRENN-UHFFFAOYSA-N 0 0 215.252 2.250 50 0 BEAARN Cc1nc(/C=C\C(=O)Nc2ccccn2)cs1 ZINC000098003968 642655025 /nfs/dbraw/zinc/65/50/25/642655025.db2.gz RXKKBEXFNGEDMW-WAYWQWQTSA-N 0 0 245.307 2.498 50 0 BEAARN Cc1cc(-c2nc(N)nc3n[nH]cc32)ccc1F ZINC000020572499 643063452 /nfs/dbraw/zinc/06/34/52/643063452.db2.gz QUFXDJYEGXVTDS-UHFFFAOYSA-N 0 0 243.245 2.050 50 0 BEAARN COCCc1noc(-c2ccc3cc[nH]c3c2)n1 ZINC000072274907 643231907 /nfs/dbraw/zinc/23/19/07/643231907.db2.gz NQHREXMCSWOIIK-UHFFFAOYSA-N 0 0 243.266 2.407 50 0 BEAARN C=CC(=O)Nc1ccc2c(c1)CCCO2 ZINC000306838647 643260701 /nfs/dbraw/zinc/26/07/01/643260701.db2.gz XPLPORPDSPKFSH-UHFFFAOYSA-N 0 0 203.241 2.136 50 0 BEAARN COc1ccc(Cc2ncccc2O)cc1OC ZINC000022016839 643398892 /nfs/dbraw/zinc/39/88/92/643398892.db2.gz LNQDZFISWMISLW-UHFFFAOYSA-N 0 0 245.278 2.395 50 0 BEAARN Cc1cc(-c2cc(F)ccc2F)nc(N)n1 ZINC000032565332 643420570 /nfs/dbraw/zinc/42/05/70/643420570.db2.gz OWXVTPIICNAJDW-UHFFFAOYSA-N 0 0 221.210 2.312 50 0 BEAARN CC1CCC(NC(=O)NCC2CC2)CC1 ZINC000032909470 643663189 /nfs/dbraw/zinc/66/31/89/643663189.db2.gz DOVCSFJMPCPJJT-UHFFFAOYSA-N 0 0 210.321 2.274 50 0 BEAARN CN(c1ccc(C(C)(C)C)nn1)[C@@H]1CCC[C@@H]1O ZINC000952962566 643775859 /nfs/dbraw/zinc/77/58/59/643775859.db2.gz CSHWLUZMQDUWOR-MNOVXSKESA-N 0 0 249.358 2.124 50 0 BEAARN Cc1[nH]nc(CCc2nc(C3CC3)no2)c1C ZINC000019791428 644046405 /nfs/dbraw/zinc/04/64/05/644046405.db2.gz GHTUTDFSZYIVGT-UHFFFAOYSA-N 0 0 232.287 2.072 50 0 BEAARN Cc1nc[nH]c1CN(C)[C@H](C)c1ccncc1 ZINC000952987642 644448842 /nfs/dbraw/zinc/44/88/42/644448842.db2.gz FXZASKDVCSILAI-LLVKDONJSA-N 0 0 230.315 2.306 50 0 BEAARN Cc1cncnc1/C=C\c1cn(C(C)(C)C)nn1 ZINC000952993467 644452375 /nfs/dbraw/zinc/45/23/75/644452375.db2.gz NIGVSNGRXNPDIB-WAYWQWQTSA-N 0 0 243.314 2.302 50 0 BEAARN COc1ccc(C=Cc2nccc(=O)[nH]2)cc1F ZINC000089457570 644550955 /nfs/dbraw/zinc/55/09/55/644550955.db2.gz XIWDBYUDXOOBJR-HWKANZROSA-N 0 0 246.241 2.088 50 0 BEAARN CCCO[C@H]1CCCN(c2nnc(CC)o2)C1 ZINC000091625764 644634458 /nfs/dbraw/zinc/63/44/58/644634458.db2.gz RKRCTLDGGPXRLJ-JTQLQIEISA-N 0 0 239.319 2.027 50 0 BEAARN COc1cccc(NC(=O)C(F)(F)Cl)c1 ZINC000096623390 644827348 /nfs/dbraw/zinc/82/73/48/644827348.db2.gz IWTZQKBFMXKUKO-UHFFFAOYSA-N 0 0 235.617 2.465 50 0 BEAARN COCc1nccc(N[C@@H]2CCC[C@@H]2C)n1 ZINC000929084753 645932750 /nfs/dbraw/zinc/93/27/50/645932750.db2.gz IRYIRBFCNPQSHV-VHSXEESVSA-N 0 0 221.304 2.224 50 0 BEAARN C[C@@H](c1nncn1-c1ccccc1)N1CCCC1 ZINC000067803017 710991873 /nfs/dbraw/zinc/99/18/73/710991873.db2.gz NIIRCKQFOMWWQL-LBPRGKRZSA-N 0 0 242.326 2.424 50 0 BEAARN CC(C)[C@H]1CCC(=O)C[C@@H]1n1cccn1 ZINC000725358723 711663852 /nfs/dbraw/zinc/66/38/52/711663852.db2.gz BGOHFXNIOWXTFR-NEPJUHHUSA-N 0 0 206.289 2.449 50 0 BEAARN COC(=O)c1ccc(C)c2ncccc12 ZINC000039347522 711751472 /nfs/dbraw/zinc/75/14/72/711751472.db2.gz SWLCMALWIAJZDZ-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN Fc1ccc2[nH]c([C@H]3CCOC3)nc2c1 ZINC000082821789 711807820 /nfs/dbraw/zinc/80/78/20/711807820.db2.gz SUBLZOGBRVCZSQ-ZETCQYMHSA-N 0 0 206.220 2.206 50 0 BEAARN C/C=C/COC(=O)c1ccc(OC)c(OC)c1 ZINC000084136267 711810880 /nfs/dbraw/zinc/81/08/80/711810880.db2.gz IPWZFVKSMKLVFD-SNAWJCMRSA-N 0 0 236.267 2.437 50 0 BEAARN O=C(c1ccccc1)N1CC[C@H](O)[C@@H]2CCC[C@@H]21 ZINC000006996207 711946688 /nfs/dbraw/zinc/94/66/88/711946688.db2.gz ABZIFBVBXURRBG-RDBSUJKOSA-N 0 0 245.322 2.062 50 0 BEAARN CCc1nsc(NCCc2ccns2)n1 ZINC000709994328 712238946 /nfs/dbraw/zinc/23/89/46/712238946.db2.gz BHJDUBZGXFTTRT-UHFFFAOYSA-N 0 0 240.357 2.212 50 0 BEAARN Cc1cc(=O)c2c(o1)C1(CCCCC1)CC(=O)O2 ZINC000828327475 712685189 /nfs/dbraw/zinc/68/51/89/712685189.db2.gz USRAYAHAWSFHST-UHFFFAOYSA-N 0 0 248.278 2.459 50 0 BEAARN c1nc(O[C@H]2CCSC2)cc(C2CC2)n1 ZINC000585652713 959540388 /nfs/dbraw/zinc/54/03/88/959540388.db2.gz SWLWWSFSWVMENY-VIFPVBQESA-N 0 0 222.313 2.238 50 0 BEAARN C[C@H](NC(=O)c1cn[nH]c1)C1=CCCCC1 ZINC000820723361 968480955 /nfs/dbraw/zinc/48/09/55/968480955.db2.gz JEOWZRBDOLGGFT-VIFPVBQESA-N 0 0 219.288 2.028 50 0 BEAARN CCOC(=O)C=C(C)NCCc1ccccc1 ZINC000109901030 1166062109 /nfs/dbraw/zinc/06/21/09/1166062109.db2.gz VVQDCZPXHJVNGV-VAWYXSNFSA-N 0 0 233.311 2.286 50 0 BEAARN Cc1ncc(-c2nnc3n2CC[C@@H](C)CC3)cn1 ZINC001772708808 1166510046 /nfs/dbraw/zinc/51/00/46/1166510046.db2.gz KAFHHMVFONSUNI-VIFPVBQESA-N 0 0 243.314 2.016 50 0 BEAARN C[C@@H](CO)Oc1ccc(C(F)(F)F)cc1 ZINC000166342800 1166554315 /nfs/dbraw/zinc/55/43/15/1166554315.db2.gz RXMPMXVVRWRGMZ-ZETCQYMHSA-N 0 0 220.190 2.465 50 0 BEAARN Cc1cncc(C(=O)Nc2cc(O)cc(F)c2)c1 ZINC000095450285 1168384527 /nfs/dbraw/zinc/38/45/27/1168384527.db2.gz CAEYRQJKRZVDJQ-UHFFFAOYSA-N 0 0 246.241 2.487 50 0 BEAARN COc1nccnc1NC(C1CC1)C1CC1 ZINC000309835737 971853896 /nfs/dbraw/zinc/85/38/96/971853896.db2.gz BAXDIYRRIIGPCZ-UHFFFAOYSA-N 0 0 219.288 2.086 50 0 BEAARN CC/C=C(\C)C(=O)NCc1c(C)nc(C)nc1C ZINC000584920509 972067961 /nfs/dbraw/zinc/06/79/61/972067961.db2.gz PTNRSWZYNBKSBY-VQHVLOKHSA-N 0 0 247.342 2.374 50 0 BEAARN Cc1cccc(NC(=O)N2C[C@@H](C)[C@H]2C)n1 ZINC000585086435 972123386 /nfs/dbraw/zinc/12/33/86/972123386.db2.gz AIPWOUZMCUHLDG-PSASIEDQSA-N 0 0 219.288 2.262 50 0 BEAARN C=CC(=O)N1CCC(=Cc2cc(C)on2)CC1 ZINC000585091377 972134296 /nfs/dbraw/zinc/13/42/96/972134296.db2.gz ABXGFZIEEUGSDO-UHFFFAOYSA-N 0 0 232.283 2.175 50 0 BEAARN CCOC1(c2nc(-c3cn[nH]c3)no2)CCCC1 ZINC000585120283 972153021 /nfs/dbraw/zinc/15/30/21/972153021.db2.gz DKKCJUPLZOVTAA-UHFFFAOYSA-N 0 0 248.286 2.266 50 0 BEAARN CN(Cc1nncs1)CC1CCCC1 ZINC000585133558 972169125 /nfs/dbraw/zinc/16/91/25/972169125.db2.gz LZLJVBRJZVQKCN-UHFFFAOYSA-N 0 0 211.334 2.160 50 0 BEAARN O=c1cc(N2CCCC2)cnn1[C@@H]1C=CCCC1 ZINC000137611349 963405220 /nfs/dbraw/zinc/40/52/20/963405220.db2.gz OTYWAPCUVWDQED-GFCCVEGCSA-N 0 0 245.326 2.125 50 0 BEAARN CC(C)Oc1ccc(O)cc1C(=O)NC1CC1 ZINC001529592521 967419790 /nfs/dbraw/zinc/41/97/90/967419790.db2.gz DHCSOTPEWWKLHV-UHFFFAOYSA-N 0 0 235.283 2.072 50 0 BEAARN C[C@@H](NC(=O)c1ncccc1O)C1=CCCCC1 ZINC000820723359 968480898 /nfs/dbraw/zinc/48/08/98/968480898.db2.gz IPOACBIVPLLPKT-SNVBAGLBSA-N 0 0 246.310 2.406 50 0 BEAARN CC(C)OCc1ncnn1Cc1ccc(F)cc1 ZINC000821956899 968501227 /nfs/dbraw/zinc/50/12/27/968501227.db2.gz MIWXYHIDHCQJKX-UHFFFAOYSA-N 0 0 249.289 2.391 50 0 BEAARN CCOCC(=O)NC1(c2cccc(C)c2)CC1 ZINC000823316672 968543868 /nfs/dbraw/zinc/54/38/68/968543868.db2.gz MCMIVFGGXHHFSM-UHFFFAOYSA-N 0 0 233.311 2.137 50 0 BEAARN Cc1cc(Nc2cc(C3CC3)ncn2)n[nH]1 ZINC000825106312 968633686 /nfs/dbraw/zinc/63/36/86/968633686.db2.gz FVBYXWDTNBNHRE-UHFFFAOYSA-N 0 0 215.260 2.129 50 0 BEAARN Fc1ccc(-n2ncnc2C2CCOCC2)cc1 ZINC000826597763 968667844 /nfs/dbraw/zinc/66/78/44/968667844.db2.gz NOBLYBLVJAJDTH-UHFFFAOYSA-N 0 0 247.273 2.300 50 0 BEAARN CC1(C)C[C@H]1C(=O)N(CCO)C1CCCCC1 ZINC000232905892 973124239 /nfs/dbraw/zinc/12/42/39/973124239.db2.gz SZLXXONEHJCQKQ-LBPRGKRZSA-N 0 0 239.359 2.186 50 0 BEAARN Cc1cc2c(OC3CCSCC3)nccn2n1 ZINC000585651762 973917876 /nfs/dbraw/zinc/91/78/76/973917876.db2.gz HCZVKBIMDYWMAQ-UHFFFAOYSA-N 0 0 249.339 2.312 50 0 BEAARN Clc1cnc(OC2CCSCC2)nc1 ZINC000585650811 973921533 /nfs/dbraw/zinc/92/15/33/973921533.db2.gz FSQFLEDQKJCGDR-UHFFFAOYSA-N 0 0 230.720 2.404 50 0 BEAARN Cc1ccsc1COc1cnccn1 ZINC000585655144 973924372 /nfs/dbraw/zinc/92/43/72/973924372.db2.gz UPSDIGQBBPKAAN-UHFFFAOYSA-N 0 0 206.270 2.426 50 0 BEAARN c1ccc2sc(O[C@@H]3CCOC3)nc2c1 ZINC000585655192 973924519 /nfs/dbraw/zinc/92/45/19/973924519.db2.gz WJBVIEBXLMJGSW-MRVPVSSYSA-N 0 0 221.281 2.464 50 0 BEAARN Cc1ccnc(OC[C@@H]2CCCCO2)c1 ZINC000585653908 973925477 /nfs/dbraw/zinc/92/54/77/973925477.db2.gz ANJLOVLOFYZMNZ-NSHDSACASA-N 0 0 207.273 2.338 50 0 BEAARN Cc1cccnc1OC[C@@H]1CCCOC1 ZINC000585654984 973926941 /nfs/dbraw/zinc/92/69/41/973926941.db2.gz POFZUZNNWFKRPT-LLVKDONJSA-N 0 0 207.273 2.195 50 0 BEAARN Cc1ccnc(OC[C@H]2CCCOC2)c1 ZINC000585654242 973929597 /nfs/dbraw/zinc/92/95/97/973929597.db2.gz FWKPCAOMCHFTBB-NSHDSACASA-N 0 0 207.273 2.195 50 0 BEAARN Cc1cc2nc(C)cc(OC3CCC3)n2n1 ZINC000585654104 973929735 /nfs/dbraw/zinc/92/97/35/973929735.db2.gz CUDGQOOWDRCQGS-UHFFFAOYSA-N 0 0 217.272 2.277 50 0 BEAARN CC(C)c1nn(C)cc1-c1cnn(CCF)c1 ZINC000952882739 974061583 /nfs/dbraw/zinc/06/15/83/974061583.db2.gz KMHGCSBMXUUERH-UHFFFAOYSA-N 0 0 236.294 2.377 50 0 BEAARN O=c1c2ccccc2nc2n1Cc1ccccc1-2 ZINC000000487559 983103655 /nfs/dbraw/zinc/10/36/55/983103655.db2.gz LNLUVPQAOVPJBA-UHFFFAOYSA-N 0 0 234.258 2.425 50 0 biogenic BEAARN Cn1nc2c(c1-c1ccccc1CO)CCCC2 ZINC000686055385 985047169 /nfs/dbraw/zinc/04/71/69/985047169.db2.gz BBSWLQAEDPRLRG-UHFFFAOYSA-N 0 0 242.322 2.458 50 0 BEAARN Cc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000019595565 986325010 /nfs/dbraw/zinc/32/50/10/986325010.db2.gz JUIYOPNXUFARDQ-UHFFFAOYSA-N 0 0 249.354 2.486 50 0 BEAARN CCc1nccn1C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001506396971 988771898 /nfs/dbraw/zinc/77/18/98/988771898.db2.gz KSEXWGGANKLHMV-GFCCVEGCSA-N 0 0 244.342 2.019 50 0 BEAARN CO[C@H](C)c1ccc(-c2cncc(=O)[nH]2)cc1 ZINC001506411733 988777046 /nfs/dbraw/zinc/77/70/46/988777046.db2.gz KTUUMUYDLASRTG-SECBINFHSA-N 0 0 230.267 2.144 50 0 BEAARN CC(C)c1ccc(N2CC[C@H](C(C)(C)O)C2)nn1 ZINC001506420440 988781627 /nfs/dbraw/zinc/78/16/27/988781627.db2.gz HFRMGFZSKZJTCT-NSHDSACASA-N 0 0 249.358 2.197 50 0 BEAARN O=C(Nc1cnn2c1NCCC2)c1cccs1 ZINC001506411365 988782407 /nfs/dbraw/zinc/78/24/07/988782407.db2.gz RENADDOFTKVJMC-UHFFFAOYSA-N 0 0 248.311 2.013 50 0 BEAARN CCn1nc(C)c([C@H](C)Nc2cnccn2)c1C ZINC001529151225 990333942 /nfs/dbraw/zinc/33/39/42/990333942.db2.gz IJWISKBMJPRGNJ-VIFPVBQESA-N 0 0 245.330 2.483 50 0 BEAARN CCc1nc(N(C)Cc2nc(C)cs2)no1 ZINC001529179979 990336048 /nfs/dbraw/zinc/33/60/48/990336048.db2.gz HJUOKIZTUFTXGZ-UHFFFAOYSA-N 0 0 238.316 2.033 50 0 BEAARN Cc1cc(C)n(-c2ccccc2C=O)n1 ZINC000020079215 177920372 /nfs/dbraw/zinc/92/03/72/177920372.db2.gz YIEGYLBFGSWHFQ-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1cc(C)n(C(=O)c2ccoc2C)n1 ZINC000000070253 177922103 /nfs/dbraw/zinc/92/21/03/177922103.db2.gz BOHGQBCPMMXTHJ-UHFFFAOYSA-N 0 0 204.229 2.090 50 0 BEAARN Cc1cc(CC(=O)N(C)Cc2ccccc2)no1 ZINC000062075252 177952503 /nfs/dbraw/zinc/95/25/03/177952503.db2.gz BMIPGAMSDRDLJQ-UHFFFAOYSA-N 0 0 244.294 2.184 50 0 BEAARN COC(=O)c1nc2cc(C)c(C)cc2nc1C ZINC000036373475 343977810 /nfs/dbraw/zinc/97/78/10/343977810.db2.gz RYZLGQSOSIUGOY-UHFFFAOYSA-N 0 0 230.267 2.342 50 0 BEAARN Cc1cc(CN(C)C(=O)c2cc(C)oc2C)no1 ZINC000025137389 177970076 /nfs/dbraw/zinc/97/00/76/177970076.db2.gz HZJGNDPKIMGIHG-UHFFFAOYSA-N 0 0 248.282 2.465 50 0 BEAARN Cc1cc(CN(C)Cc2cscn2)no1 ZINC000042132262 177974202 /nfs/dbraw/zinc/97/42/02/177974202.db2.gz XPHOYEVYMKEPSB-UHFFFAOYSA-N 0 0 223.301 2.072 50 0 BEAARN CC(C)c1nnc2sc([C@@H]3CCCO3)nn21 ZINC000071765359 398159059 /nfs/dbraw/zinc/15/90/59/398159059.db2.gz JFGZXRHUTABUGA-ZETCQYMHSA-N 0 0 238.316 2.161 50 0 BEAARN CCC(CC)C(=O)N1CCOCC1(C)C ZINC000036101943 168334756 /nfs/dbraw/zinc/33/47/56/168334756.db2.gz LIXSRRAGZNKVAO-UHFFFAOYSA-N 0 0 213.321 2.060 50 0 BEAARN Cc1cc(COC(=O)c2cccc(C)c2O)no1 ZINC000012909992 178047116 /nfs/dbraw/zinc/04/71/16/178047116.db2.gz QWOLXVLMMHPGQR-UHFFFAOYSA-N 0 0 247.250 2.354 50 0 BEAARN Cc1cc(COC(=O)c2ccc(C)c(O)c2)no1 ZINC000009386793 178047485 /nfs/dbraw/zinc/04/74/85/178047485.db2.gz PTZCFZGLKLRVIX-UHFFFAOYSA-N 0 0 247.250 2.354 50 0 BEAARN Cc1cc(COc2ccc3c[nH]nc3c2)no1 ZINC000089604950 178049092 /nfs/dbraw/zinc/04/90/92/178049092.db2.gz AIOTYPIHKZNPOE-UHFFFAOYSA-N 0 0 229.239 2.438 50 0 BEAARN CN(CC1CCC1)C(=O)C1(c2cccnc2)CC1 ZINC000240886247 398160123 /nfs/dbraw/zinc/16/01/23/398160123.db2.gz IODYLYHFAMKJQQ-UHFFFAOYSA-N 0 0 244.338 2.372 50 0 BEAARN CCC(CC)C(=O)NCCCCn1ccnc1 ZINC000041533832 168337355 /nfs/dbraw/zinc/33/73/55/168337355.db2.gz QCJUJLPIGZDTJV-UHFFFAOYSA-N 0 0 237.347 2.216 50 0 BEAARN Cc1cc(Cl)ccc1C[N@@H+](C)C[C@@H](C)O ZINC000120497705 178066954 /nfs/dbraw/zinc/06/69/54/178066954.db2.gz MJVUYPKCUAHNSU-SNVBAGLBSA-N 0 0 227.735 2.461 50 0 BEAARN Cc1cc(Cl)ccc1OCC(=O)N1CCC1 ZINC000012978771 178068834 /nfs/dbraw/zinc/06/88/34/178068834.db2.gz LQFGEVLXKJEKRM-UHFFFAOYSA-N 0 0 239.702 2.260 50 0 BEAARN Cc1cc(F)cc(C(=O)OC2CCOCC2)c1 ZINC000097032018 178076285 /nfs/dbraw/zinc/07/62/85/178076285.db2.gz XCFBZYUGEDUIGD-UHFFFAOYSA-N 0 0 238.258 2.470 50 0 BEAARN Cc1cc(F)ccc1C(=O)N1CCCC1 ZINC000135313523 178081909 /nfs/dbraw/zinc/08/19/09/178081909.db2.gz QIGODWGGZCFCKL-UHFFFAOYSA-N 0 0 207.248 2.370 50 0 BEAARN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCO1 ZINC000001052028 178087832 /nfs/dbraw/zinc/08/78/32/178087832.db2.gz COCMGWXMPOATMA-NSHDSACASA-N 0 0 223.247 2.252 50 0 BEAARN Cc1cc(N)nc(Nc2ccccc2C)n1 ZINC000075156672 178108842 /nfs/dbraw/zinc/10/88/42/178108842.db2.gz ACFMKOJTSIXYSV-UHFFFAOYSA-N 0 0 214.272 2.419 50 0 BEAARN Cc1cc(N)nn1Cc1ccc(Cl)cc1 ZINC000000373759 178111605 /nfs/dbraw/zinc/11/16/05/178111605.db2.gz RKEBNFAAJDMVBI-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN CCC(CC)C(=O)Nc1nnc(C)s1 ZINC000000474022 168342740 /nfs/dbraw/zinc/34/27/40/168342740.db2.gz CYPGOAWYEAOOMP-UHFFFAOYSA-N 0 0 213.306 2.221 50 0 BEAARN Cc1cc(NC(=O)/C=C/c2ccco2)no1 ZINC000000342430 178124271 /nfs/dbraw/zinc/12/42/71/178124271.db2.gz MCMFFPMAAUYXBB-SNAWJCMRSA-N 0 0 218.212 2.228 50 0 BEAARN Cn1cnc2cc(Br)c(F)cc21 ZINC000074934301 398209763 /nfs/dbraw/zinc/20/97/63/398209763.db2.gz KTMVULBZDALTGP-UHFFFAOYSA-N 0 0 229.052 2.475 50 0 BEAARN Cc1cc(NC(=O)NC(C2CC2)C2CC2)no1 ZINC000032900942 178137015 /nfs/dbraw/zinc/13/70/15/178137015.db2.gz MYKKQYFOGRSMFC-UHFFFAOYSA-N 0 0 235.287 2.293 50 0 BEAARN Cc1cc(NC(=O)N2CCO[C@@H](C)[C@@H]2C)ccn1 ZINC000097048795 178137397 /nfs/dbraw/zinc/13/73/97/178137397.db2.gz XONISPZCCCJNSX-QWRGUYRKSA-N 0 0 249.314 2.031 50 0 BEAARN Cc1cc(NC(=O)OCc2ccccc2)nn1C ZINC000095495584 178144345 /nfs/dbraw/zinc/14/43/45/178144345.db2.gz SBLMQFZKHYPZIC-UHFFFAOYSA-N 0 0 245.282 2.477 50 0 BEAARN Cc1cc(NC(=O)[C@@H]2CCCO2)nc(C(C)C)n1 ZINC000068905003 178145821 /nfs/dbraw/zinc/14/58/21/178145821.db2.gz AWDGMRBYQMCOIV-JTQLQIEISA-N 0 0 249.314 2.026 50 0 BEAARN Cc1cc(NC(=O)c2ccoc2C)no1 ZINC000000484337 178151548 /nfs/dbraw/zinc/15/15/48/178151548.db2.gz NPGBTAWJYPTBLJ-UHFFFAOYSA-N 0 0 206.201 2.137 50 0 BEAARN Cc1cc(NCc2ccco2)nc2[nH]nc(N)c21 ZINC000071282080 178175103 /nfs/dbraw/zinc/17/51/03/178175103.db2.gz KPBIDWJRAXTUDL-UHFFFAOYSA-N 0 0 243.270 2.054 50 0 BEAARN CC/C=C(/C)C(=O)NCc1cccnc1OCC ZINC000097086655 398222263 /nfs/dbraw/zinc/22/22/63/398222263.db2.gz NZEFHNDKQGZWOH-XFFZJAGNSA-N 0 0 248.326 2.453 50 0 BEAARN Cc1cc(N[C@H](C)c2ccco2)n2ncnc2n1 ZINC000035135150 178186967 /nfs/dbraw/zinc/18/69/67/178186967.db2.gz KDGSBSLRTLEYJY-SECBINFHSA-N 0 0 243.270 2.199 50 0 BEAARN COC(=O)c1ccc2c(c1O)CCCC2 ZINC000075612823 398224041 /nfs/dbraw/zinc/22/40/41/398224041.db2.gz AMBJIFDYCIFVBA-UHFFFAOYSA-N 0 0 206.241 2.058 50 0 BEAARN Cc1cc(O)c2c3c(c(=O)oc2c1)CCC3 ZINC000006233012 178198670 /nfs/dbraw/zinc/19/86/70/178198670.db2.gz XUKMRKKFRWRLJF-UHFFFAOYSA-N 0 0 216.236 2.296 50 0 BEAARN Cc1cc(=O)n2cc(-c3ccccc3)nc2[nH]1 ZINC000100150959 178201503 /nfs/dbraw/zinc/20/15/03/178201503.db2.gz YLEDAQSGJNLHRY-UHFFFAOYSA-N 0 0 225.251 2.410 50 0 BEAARN Cc1noc(CSc2cc(C)nc(C)n2)n1 ZINC000040090163 178218083 /nfs/dbraw/zinc/21/80/83/178218083.db2.gz PGGVXQQXGCUZBD-UHFFFAOYSA-N 0 0 236.300 2.077 50 0 BEAARN CC(C)CCO[C@@H]1CCN(c2cnccn2)C1 ZINC000267621378 398232511 /nfs/dbraw/zinc/23/25/11/398232511.db2.gz IBYRTCIPUOHPAA-GFCCVEGCSA-N 0 0 235.331 2.118 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)C(C)C)on1 ZINC000021718567 178241183 /nfs/dbraw/zinc/24/11/83/178241183.db2.gz DUPLKGUCIXKGDO-JTQLQIEISA-N 0 0 222.288 2.303 50 0 BEAARN CCCCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1C ZINC000021932287 538935511 /nfs/dbraw/zinc/93/55/11/538935511.db2.gz MRXLOIVJFXWZJI-UHFFFAOYSA-N 0 0 247.298 2.293 50 0 BEAARN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1ncnn1C ZINC000170604364 361792342 /nfs/dbraw/zinc/79/23/42/361792342.db2.gz SPZXMWMJAUGDFB-QWHCGFSZSA-N 0 0 248.374 2.239 50 0 BEAARN C[C@@H](C(=O)Nc1cnns1)c1cccs1 ZINC000170603848 361794124 /nfs/dbraw/zinc/79/41/24/361794124.db2.gz HPQRJTIMGPALIE-ZCFIWIBFSA-N 0 0 239.325 2.342 50 0 BEAARN CC(C)[C@H](CNC(=O)CC1CC1)c1ccnn1C ZINC000170606370 361796032 /nfs/dbraw/zinc/79/60/32/361796032.db2.gz CSOGGZGFWLMZDG-LBPRGKRZSA-N 0 0 249.358 2.076 50 0 BEAARN CC/[S@](C)=N\S(=O)(=O)c1ccc(C)cc1 ZINC000015973648 259307018 /nfs/dbraw/zinc/30/70/18/259307018.db2.gz USNXUFABGLAYRU-CQSZACIVSA-N 0 0 245.369 2.135 50 0 BEAARN Cc1cc([C@H](O)c2cc(C)n(C)n2)cs1 ZINC000300889473 178264626 /nfs/dbraw/zinc/26/46/26/178264626.db2.gz MIQJVAIMTZULLS-NSHDSACASA-N 0 0 222.313 2.180 50 0 BEAARN Cc1cc2c(c(=O)[nH]1)[C@@H](CC(C)C)CC(=O)O2 ZINC000085878967 178282239 /nfs/dbraw/zinc/28/22/39/178282239.db2.gz JCLLXRPREWBASL-VIFPVBQESA-N 0 0 235.283 2.122 50 0 biogenic BEAARN CC(=O)CCSc1nnc(-c2ccc[nH]2)o1 ZINC000018363738 259308140 /nfs/dbraw/zinc/30/81/40/259308140.db2.gz RJZMIOQCLXVPEA-UHFFFAOYSA-N 0 0 237.284 2.136 50 0 BEAARN Cc1cc2c(cc1NC(=O)C1CC1)OCO2 ZINC000097237582 178290086 /nfs/dbraw/zinc/29/00/86/178290086.db2.gz BIPKXAPKDKORDZ-UHFFFAOYSA-N 0 0 219.240 2.072 50 0 BEAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2 ZINC000004291310 178300282 /nfs/dbraw/zinc/30/02/82/178300282.db2.gz GVCUYVSDJYMDMA-VDTYLAMSSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2[nH]c(=O)cc(-c3ccccc3)n2n1 ZINC000013118304 178301676 /nfs/dbraw/zinc/30/16/76/178301676.db2.gz UXZWCEIXHWAVDX-UHFFFAOYSA-N 0 0 225.251 2.410 50 0 BEAARN Cc1cc2ncc(-c3cccs3)c(N)n2n1 ZINC000001386215 178303012 /nfs/dbraw/zinc/30/30/12/178303012.db2.gz WKMALWVLAZXBNQ-UHFFFAOYSA-N 0 0 230.296 2.348 50 0 BEAARN Cc1cc2cc(C(=O)N[C@H]3CCOC3)ccc2o1 ZINC000020210665 178294527 /nfs/dbraw/zinc/29/45/27/178294527.db2.gz CZMCMEAODBEALA-LBPRGKRZSA-N 0 0 245.278 2.260 50 0 BEAARN Cc1cc2ncn(-c3cncnc3)c2cc1C ZINC000065492419 178305682 /nfs/dbraw/zinc/30/56/82/178305682.db2.gz CILZFRCSAZQYGE-UHFFFAOYSA-N 0 0 224.267 2.432 50 0 BEAARN Cc1cc[nH]c(=O)c1C(=O)OCc1cccs1 ZINC000096014201 178309074 /nfs/dbraw/zinc/30/90/74/178309074.db2.gz KKMRQPXCXSOHJQ-UHFFFAOYSA-N 0 0 249.291 2.102 50 0 BEAARN Cc1cc[nH]c1C(=O)NCC1CC(F)(F)C1 ZINC000293534533 178313397 /nfs/dbraw/zinc/31/33/97/178313397.db2.gz AITOGWHRASTECI-UHFFFAOYSA-N 0 0 228.242 2.098 50 0 BEAARN Cc1ccc(-c2cc(C)nc3ncnn32)cc1 ZINC000000521696 178318410 /nfs/dbraw/zinc/31/84/10/178318410.db2.gz QKWRNBFDUPDKFQ-UHFFFAOYSA-N 0 0 224.267 2.408 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)n1C ZINC000023574243 538944458 /nfs/dbraw/zinc/94/44/58/538944458.db2.gz GQUKOZQOAWLTGR-GFCCVEGCSA-N 0 0 232.327 2.306 50 0 BEAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1C ZINC000000390413 178323049 /nfs/dbraw/zinc/32/30/49/178323049.db2.gz XCZHFRKFYWJLRN-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN Cc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000018102369 178333528 /nfs/dbraw/zinc/33/35/28/178333528.db2.gz LNLJNCDXNGMWOT-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN Cc1ccc(-c2nc3c(o2)C[NH2+]CC3)cc1 ZINC000076644560 178337550 /nfs/dbraw/zinc/33/75/50/178337550.db2.gz BHEUIVVWMMBOIL-UHFFFAOYSA-N 0 0 214.268 2.296 50 0 BEAARN CCC(CC)[N@@H+](CC(=O)[O-])CC(C)C ZINC000083412010 168369569 /nfs/dbraw/zinc/36/95/69/168369569.db2.gz GCCWBLKOHNRORF-UHFFFAOYSA-N 0 0 201.310 2.218 50 0 BEAARN Cc1ccc(-c2noc([C@@H](C)N)n2)cc1 ZINC000015417115 178343497 /nfs/dbraw/zinc/34/34/97/178343497.db2.gz DQVGKSKROOPQQB-MRVPVSSYSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)c2ccncc2)n1 ZINC000025217471 538947712 /nfs/dbraw/zinc/94/77/12/538947712.db2.gz XPPRBFRSPZSLPZ-LLVKDONJSA-N 0 0 241.294 2.276 50 0 BEAARN Cc1ccc(N2C(=S)N=NC2C)c(C)c1 ZINC000006400386 178346533 /nfs/dbraw/zinc/34/65/33/178346533.db2.gz ZCJDKYJQJQATOZ-UHFFFAOYSA-N 0 0 219.313 2.481 50 0 BEAARN Cc1ccc(/C=C2/SC(=N)NC2=O)c(C)c1 ZINC000023128321 178356209 /nfs/dbraw/zinc/35/62/09/178356209.db2.gz PYHULSBLEABOBK-UXBLZVDNSA-N 0 0 232.308 2.442 50 0 BEAARN Cc1cc(=O)oc(C)c1C(=O)N(C)[C@H](C)C1CC1 ZINC000032907094 538951306 /nfs/dbraw/zinc/95/13/06/538951306.db2.gz CJVHBYDXCYAVFA-SECBINFHSA-N 0 0 249.310 2.127 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@@H](CO)C2)cc1C ZINC000019780972 178387122 /nfs/dbraw/zinc/38/71/22/178387122.db2.gz KONADCAUEJXDNU-CYBMUJFWSA-N 0 0 247.338 2.148 50 0 BEAARN CC1CCC(NC(=O)C2CCOCC2)CC1 ZINC000032731309 538950480 /nfs/dbraw/zinc/95/04/80/538950480.db2.gz QREYADNNSXWWAQ-UHFFFAOYSA-N 0 0 225.332 2.108 50 0 BEAARN CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000032738370 538950505 /nfs/dbraw/zinc/95/05/05/538950505.db2.gz YLOFWGBOUAMIHX-UHFFFAOYSA-N 0 0 221.304 2.422 50 0 BEAARN Cc1ccc(C(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000000514571 178413914 /nfs/dbraw/zinc/41/39/14/178413914.db2.gz LCJUFAFVTDGQDR-GFCCVEGCSA-N 0 0 233.311 2.212 50 0 BEAARN Cc1ccc(C(=O)NCc2ccc(F)cc2)cn1 ZINC000032895494 178415334 /nfs/dbraw/zinc/41/53/34/178415334.db2.gz GSLGSFFSLGSIOW-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1ccc(C(=O)NCc2ccncc2)s1 ZINC000045051182 178416391 /nfs/dbraw/zinc/41/63/91/178416391.db2.gz TXZLMNZJAMWCMX-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CSc1nc2sc(C)c(C)c2c(=O)n1C ZINC000000069483 342672739 /nfs/dbraw/zinc/67/27/39/342672739.db2.gz UVPSMEGBAWEHFW-UHFFFAOYSA-N 0 0 240.353 2.334 50 0 BEAARN CCOc1ccccc1NC(=S)NC ZINC000000075484 342673058 /nfs/dbraw/zinc/67/30/58/342673058.db2.gz HPULGITWWYJMLL-UHFFFAOYSA-N 0 0 210.302 2.002 50 0 BEAARN CCCc1ccc(N2C(=O)CCC2=O)cc1 ZINC000000100257 342674391 /nfs/dbraw/zinc/67/43/91/342674391.db2.gz PYMRYNXZVZXBNC-UHFFFAOYSA-N 0 0 217.268 2.293 50 0 BEAARN Cc1cc(=O)n(-c2cccc(Cl)c2)[nH]1 ZINC000000105184 342674816 /nfs/dbraw/zinc/67/48/16/342674816.db2.gz HRBCDVLFVGOSIC-UHFFFAOYSA-N 0 0 208.648 2.127 50 0 BEAARN Nc1ccccc1S(=O)(=O)c1ccccc1 ZINC000000119995 342675320 /nfs/dbraw/zinc/67/53/20/342675320.db2.gz JBCUKQQIWSWEOK-UHFFFAOYSA-N 0 0 233.292 2.102 50 0 BEAARN O=C1CCCc2c1nc(-c1ccccc1)n2O ZINC000000136362 342676806 /nfs/dbraw/zinc/67/68/06/342676806.db2.gz FEWDXGMBVQULLN-UHFFFAOYSA-N 0 0 228.251 2.306 50 0 BEAARN O=c1c2cc(F)ccc2nc2n1CCCCC2 ZINC000000142716 342677032 /nfs/dbraw/zinc/67/70/32/342677032.db2.gz WVAWACGBVINVJM-UHFFFAOYSA-N 0 0 232.258 2.262 50 0 BEAARN O=c1c2c3c(sc2nc2n1CCC2)CCCC3 ZINC000000148062 342677056 /nfs/dbraw/zinc/67/70/56/342677056.db2.gz JLWHTOJZVRDHCO-UHFFFAOYSA-N 0 0 246.335 2.283 50 0 BEAARN Clc1ccc(-c2ccnc3nncn32)cc1 ZINC000000155496 342677601 /nfs/dbraw/zinc/67/76/01/342677601.db2.gz TVWBGMWIIMWZOG-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000155043 342677846 /nfs/dbraw/zinc/67/78/46/342677846.db2.gz ZCTHPTXYNUMPGE-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000000168870 342678872 /nfs/dbraw/zinc/67/88/72/342678872.db2.gz HWZINXYBRIQTEJ-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN CCOc1ccc(Nc2nnns2)cc1 ZINC000000515494 342689102 /nfs/dbraw/zinc/68/91/02/342689102.db2.gz TYCARLVXLWCDHO-UHFFFAOYSA-N 0 0 222.273 2.075 50 0 BEAARN Cc1ccc(Nc2nc(N)nc(Cl)n2)cc1 ZINC000000185309 342679424 /nfs/dbraw/zinc/67/94/24/342679424.db2.gz DWEJXROSWIHNMK-UHFFFAOYSA-N 0 0 235.678 2.159 50 0 BEAARN CCc1cc(=O)oc2c(C)c(O)ccc12 ZINC000000186447 342679470 /nfs/dbraw/zinc/67/94/70/342679470.db2.gz KZHWXVVQAXXHQS-UHFFFAOYSA-N 0 0 204.225 2.369 50 0 biogenic BEAARN Cc1cc(C)n(C(=O)NC2CCCCC2)n1 ZINC000000190848 342679833 /nfs/dbraw/zinc/67/98/33/342679833.db2.gz XOVCGYSQLCZGSB-UHFFFAOYSA-N 0 0 221.304 2.390 50 0 BEAARN CC1(C)C[C@@H]([NH2+]Cc2ccco2)CCO1 ZINC000000206876 342680171 /nfs/dbraw/zinc/68/01/71/342680171.db2.gz XRTVEWAIEMXKTN-JTQLQIEISA-N 0 0 209.289 2.327 50 0 BEAARN c1nc2ncnc(NC3CCCCC3)c2[nH]1 ZINC000000213818 342680261 /nfs/dbraw/zinc/68/02/61/342680261.db2.gz YEWYVRQMZKOENB-UHFFFAOYSA-N 0 0 217.276 2.098 50 0 in-vitro BEAARN CON(C)C(=O)Nc1ccc(Cl)cc1 ZINC000000213098 342680273 /nfs/dbraw/zinc/68/02/73/342680273.db2.gz LKJPSUCKSLORMF-UHFFFAOYSA-N 0 0 214.652 2.365 50 0 in-vitro BEAARN Nc1ccc(NC(=O)c2ccccc2)c(N)c1 ZINC000000225929 342680658 /nfs/dbraw/zinc/68/06/58/342680658.db2.gz CZUMPCZMNRCLJU-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN O=c1c2ccccc2nc2n1CCCCC2 ZINC000000225479 342680693 /nfs/dbraw/zinc/68/06/93/342680693.db2.gz HTLIIBRHXAULMB-UHFFFAOYSA-N 0 0 214.268 2.123 50 0 biogenic BEAARN COc1ccc(O[C@H](C)C(=O)N2CCCC2)cc1 ZINC000000514351 342689252 /nfs/dbraw/zinc/68/92/52/342689252.db2.gz VZZTXKXIWCJJFR-LLVKDONJSA-N 0 0 249.310 2.085 50 0 BEAARN Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000000285195 342682333 /nfs/dbraw/zinc/68/23/33/342682333.db2.gz NCBAEHTXQVTURB-UHFFFAOYSA-N 0 0 238.246 2.069 50 0 BEAARN O=C(CN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000000296939 342682583 /nfs/dbraw/zinc/68/25/83/342682583.db2.gz BXHHJRHONZVBJK-UHFFFAOYSA-N 0 0 247.294 2.084 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000000298330 342682648 /nfs/dbraw/zinc/68/26/48/342682648.db2.gz RWRSTSPQXGSPJT-ZDUSSCGKSA-N 0 0 244.294 2.217 50 0 in-vitro BEAARN CC(C)C(=O)NC(=S)Nc1ccccc1F ZINC000000308974 342682802 /nfs/dbraw/zinc/68/28/02/342682802.db2.gz UTGZYFNLMRPMFZ-UHFFFAOYSA-N 0 0 240.303 2.295 50 0 BEAARN CC(C)N(C(C)C)S(=O)(=O)c1ccccc1 ZINC000000312557 342683009 /nfs/dbraw/zinc/68/30/09/342683009.db2.gz VDGXXGWYMQOMMK-UHFFFAOYSA-N 0 0 241.356 2.494 50 0 BEAARN Cc1ccc(NC(=O)c2cnccn2)cc1C ZINC000000311493 342683128 /nfs/dbraw/zinc/68/31/28/342683128.db2.gz WNOAUXNKOGWIJR-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN O=C(c1cccc(F)c1)n1nnc2ccccc21 ZINC000000318396 342683280 /nfs/dbraw/zinc/68/32/80/342683280.db2.gz OBZIPCONUJAXFL-UHFFFAOYSA-N 0 0 241.225 2.259 50 0 BEAARN COc1ccc(OC)c(NC(=O)C(C)C)c1 ZINC000000341709 342684063 /nfs/dbraw/zinc/68/40/63/342684063.db2.gz BSBQTFPDFZGILM-UHFFFAOYSA-N 0 0 223.272 2.298 50 0 BEAARN CC[NH+](CC)Cc1nc2ccccc2[nH]1 ZINC000000347267 342684465 /nfs/dbraw/zinc/68/44/65/342684465.db2.gz QNTXRTDYJAJFMK-UHFFFAOYSA-N 0 0 203.289 2.405 50 0 BEAARN CC(C)[C@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345790 342684476 /nfs/dbraw/zinc/68/44/76/342684476.db2.gz ISECDCWBPMVGJG-VXGBXAGGSA-N 0 0 247.294 2.213 50 0 BEAARN CSc1nc(NCc2ccccc2)n[nH]1 ZINC000000360356 342684887 /nfs/dbraw/zinc/68/48/87/342684887.db2.gz IENZXULLOQBQTD-UHFFFAOYSA-N 0 0 220.301 2.139 50 0 BEAARN CSc1nnc([C@@H](N)Cc2ccccc2)o1 ZINC000000532229 342689463 /nfs/dbraw/zinc/68/94/63/342689463.db2.gz PGRUEZNRVWFMLS-VIFPVBQESA-N 0 0 235.312 2.034 50 0 BEAARN CC(=O)Nc1ccc(C(=O)NCCC(C)C)cc1 ZINC000000030403 342669962 /nfs/dbraw/zinc/66/99/62/342669962.db2.gz ZXPQWIAUWLQFHR-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN COc1ccc(CNC(=O)c2ccco2)cc1 ZINC000000029990 342670052 /nfs/dbraw/zinc/67/00/52/342670052.db2.gz FFCAOHYYOODBNB-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000000035826 342670685 /nfs/dbraw/zinc/67/06/85/342670685.db2.gz OJORXTFCZJQZTN-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN CCN(CC)C1=CC(=O)OC12CCCCC2 ZINC000000050024 342671330 /nfs/dbraw/zinc/67/13/30/342671330.db2.gz GWOLDRQRIICLKR-UHFFFAOYSA-N 0 0 223.316 2.472 50 0 BEAARN Cc1ccc(NC(=O)Cn2ccnc2)cc1C ZINC000000053738 342671578 /nfs/dbraw/zinc/67/15/78/342671578.db2.gz ZOJVBEHYEJFZEC-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN O=C(CCCc1ccccc1)NC1CC1 ZINC000000051650 342671656 /nfs/dbraw/zinc/67/16/56/342671656.db2.gz UYLSXOLKMHVETI-UHFFFAOYSA-N 0 0 203.285 2.288 50 0 BEAARN Clc1ccc2nnc(-c3ccccc3)n2n1 ZINC000000495022 342688884 /nfs/dbraw/zinc/68/88/84/342688884.db2.gz CTKDTIYRVIGDLE-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 in-vitro BEAARN CCOc1cc(C=O)ccc1OC(F)F ZINC000000065169 342672330 /nfs/dbraw/zinc/67/23/30/342672330.db2.gz GYRYHZYEFPCQIZ-UHFFFAOYSA-N 0 0 216.183 2.499 50 0 BEAARN Cn1c2ccc(N)cc2nc1C(F)(F)F ZINC000000577572 342690705 /nfs/dbraw/zinc/69/07/05/342690705.db2.gz JHAVOBMDLQGPNO-UHFFFAOYSA-N 0 0 215.178 2.174 50 0 BEAARN CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000577341 342690808 /nfs/dbraw/zinc/69/08/08/342690808.db2.gz SWNQIVRQNFWHJZ-UHFFFAOYSA-N 0 0 247.747 2.417 50 0 BEAARN C[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000000860057 342693903 /nfs/dbraw/zinc/69/39/03/342693903.db2.gz QJWRRTGGLJRYAZ-OCCSQVGLSA-N 0 0 247.338 2.475 50 0 BEAARN CCOc1ccccc1C(=O)Nc1nncs1 ZINC000000892848 342694115 /nfs/dbraw/zinc/69/41/15/342694115.db2.gz LRGGJZBHZBZNIS-UHFFFAOYSA-N 0 0 249.295 2.189 50 0 BEAARN CC(=O)NC(=S)Nc1cccc(Cl)c1C ZINC000001003711 342695459 /nfs/dbraw/zinc/69/54/59/342695459.db2.gz BVTLZCVREPTQPY-UHFFFAOYSA-N 0 0 242.731 2.481 50 0 BEAARN COC(=O)c1nsc(Cl)c1Cl ZINC000001052711 342696273 /nfs/dbraw/zinc/69/62/73/342696273.db2.gz CICHVVTYUVANBB-UHFFFAOYSA-N 0 0 212.057 2.237 50 0 BEAARN Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000001240538 342698466 /nfs/dbraw/zinc/69/84/66/342698466.db2.gz ABPCYGDHBSSVKC-UHFFFAOYSA-N 0 0 244.275 2.499 50 0 BEAARN O=C1CCc2cc(OCc3csnn3)ccc21 ZINC000383710894 342699484 /nfs/dbraw/zinc/69/94/84/342699484.db2.gz WUHMLWPAUTWACC-UHFFFAOYSA-N 0 0 246.291 2.246 50 0 BEAARN CN(O)C(=O)Nc1ccc(Cl)cc1 ZINC000001406295 342699923 /nfs/dbraw/zinc/69/99/23/342699923.db2.gz ALLZQHLJPGGYDB-UHFFFAOYSA-N 0 0 200.625 2.193 50 0 BEAARN CC(=O)c1ccc(Oc2ncccn2)cc1 ZINC000001398412 342699948 /nfs/dbraw/zinc/69/99/48/342699948.db2.gz QBWASDPLUSZPCA-UHFFFAOYSA-N 0 0 214.224 2.472 50 0 BEAARN O=c1nc[nH]c2sc3ccccc3c21 ZINC000001514576 342702053 /nfs/dbraw/zinc/70/20/53/342702053.db2.gz UELJJSQADCDBMU-UHFFFAOYSA-N 0 0 202.238 2.138 50 0 BEAARN Nc1nc(CC(=O)c2ccccc2)cs1 ZINC000001518571 342702552 /nfs/dbraw/zinc/70/25/52/342702552.db2.gz CSNWEDRWWVJFHC-UHFFFAOYSA-N 0 0 218.281 2.151 50 0 BEAARN COc1cccc(Br)c1N ZINC000001652214 342707057 /nfs/dbraw/zinc/70/70/57/342707057.db2.gz UDCXBOHQMWRTDN-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN COC(=O)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C ZINC000001721734 342711229 /nfs/dbraw/zinc/71/12/29/342711229.db2.gz JHELVJNRWQYMIA-VIFPVBQESA-N 0 0 245.319 2.051 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1cccc2ccccc21 ZINC000002385837 342719600 /nfs/dbraw/zinc/71/96/00/342719600.db2.gz VEJIDCKYNSOIIN-GFCCVEGCSA-N 0 0 229.279 2.184 50 0 BEAARN CCn1ccc(=O)nc1S[C@H]1C=CCCC1 ZINC000071888729 342712509 /nfs/dbraw/zinc/71/25/09/342712509.db2.gz CMFCUJQQZBQDDZ-JTQLQIEISA-N 0 0 236.340 2.464 50 0 BEAARN CCn1ccc(=O)nc1S[C@@H]1C=CCCC1 ZINC000071888730 342712547 /nfs/dbraw/zinc/71/25/47/342712547.db2.gz CMFCUJQQZBQDDZ-SNVBAGLBSA-N 0 0 236.340 2.464 50 0 BEAARN Cc1ncn(C)c1C(=O)N1CCC2(CCCC2)C1 ZINC000584902600 342713919 /nfs/dbraw/zinc/71/39/19/342713919.db2.gz IFMUDQFXIRUKQF-UHFFFAOYSA-N 0 0 247.342 2.135 50 0 BEAARN NNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000002168523 342716547 /nfs/dbraw/zinc/71/65/47/342716547.db2.gz QGZUHVBYSLKJHG-UHFFFAOYSA-N 0 0 236.127 2.154 50 0 BEAARN Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 ZINC000004028021 342741128 /nfs/dbraw/zinc/74/11/28/342741128.db2.gz SHBJLOJHVCESJC-UHFFFAOYSA-N 0 0 216.236 2.296 50 0 biogenic BEAARN CC(C)(O)c1nc(Br)cs1 ZINC000004198747 342743717 /nfs/dbraw/zinc/74/37/17/342743717.db2.gz DIYKULIZPAXQQZ-UHFFFAOYSA-N 0 0 222.107 2.133 50 0 BEAARN CC(C)c1ccc(N2C(=O)[C@@H](C)NC2=S)cc1 ZINC000004206693 342744365 /nfs/dbraw/zinc/74/43/65/342744365.db2.gz IJXWITBMUVNKRK-SECBINFHSA-N 0 0 248.351 2.420 50 0 BEAARN CCOc1c(C)cccc1-c1nnc(N)s1 ZINC000004234712 342744941 /nfs/dbraw/zinc/74/49/41/342744941.db2.gz ZLZAMMNBVBWIGL-UHFFFAOYSA-N 0 0 235.312 2.494 50 0 BEAARN CCc1ccc(-c2n[nH]cc2C=O)cc1 ZINC000004237869 342745079 /nfs/dbraw/zinc/74/50/79/342745079.db2.gz KCNFDRWUCRJSDB-UHFFFAOYSA-N 0 0 200.241 2.452 50 0 BEAARN Cc1ccc(N[C@H]2C=CS(=O)(=O)C2)c(C)c1 ZINC000004371893 342747272 /nfs/dbraw/zinc/74/72/72/342747272.db2.gz PDOMDJYETAURTL-NSHDSACASA-N 0 0 237.324 2.026 50 0 BEAARN Nc1c2ccccc2nc2c1C(=O)CCC2 ZINC000002476618 342721247 /nfs/dbraw/zinc/72/12/47/342721247.db2.gz JUSJJSHTMCPMOX-UHFFFAOYSA-N 0 0 212.252 2.336 50 0 in-vitro BEAARN CCOc1ccc(CC2OCCO2)cc1 ZINC000002529072 342722913 /nfs/dbraw/zinc/72/29/13/342722913.db2.gz VZYXULLXFYSIJK-UHFFFAOYSA-N 0 0 208.257 2.001 50 0 BEAARN Nc1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000002534285 342723123 /nfs/dbraw/zinc/72/31/23/342723123.db2.gz QZIABYNUWYCBQP-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN Nc1ccn(Cc2cccc(Cl)c2)n1 ZINC000002534292 342723141 /nfs/dbraw/zinc/72/31/41/342723141.db2.gz GCFXSHIUCRYMIE-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN NNc1ccc(Br)c(Cl)c1 ZINC000002545434 342723521 /nfs/dbraw/zinc/72/35/21/342723521.db2.gz FLCMLLKTXYVUAM-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN CCCC[C@@H](CO)NC(=O)OC(C)(C)C ZINC000002541660 342723537 /nfs/dbraw/zinc/72/35/37/342723537.db2.gz KCKPPJXOWKJHDP-VIFPVBQESA-N 0 0 217.309 2.062 50 0 BEAARN CC(C)(C)OC(=O)NCCc1ccccc1N ZINC000002547904 342723762 /nfs/dbraw/zinc/72/37/62/342723762.db2.gz NRAJUZPLCXKIRP-UHFFFAOYSA-N 0 0 236.315 2.336 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000002568892 342724795 /nfs/dbraw/zinc/72/47/95/342724795.db2.gz CMNPXOOSNAGXEE-MRVPVSSYSA-N 0 0 249.188 2.060 50 0 BEAARN CC(C)(C)OC(=O)Oc1ccc(CO)cc1 ZINC000002576370 342725297 /nfs/dbraw/zinc/72/52/97/342725297.db2.gz BFOWSYHQIDOYPX-UHFFFAOYSA-N 0 0 224.256 2.493 50 0 in-vitro BEAARN [NH3+][C@H](CC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000002575632 342725300 /nfs/dbraw/zinc/72/53/00/342725300.db2.gz TYJLKWUTGBOOBY-QMMMGPOBSA-N 0 0 248.109 2.338 50 0 BEAARN COCCn1cnc2cc(C)c(C)cc21 ZINC000002668928 342726499 /nfs/dbraw/zinc/72/64/99/342726499.db2.gz MTCVKMZYOBRKHW-UHFFFAOYSA-N 0 0 204.273 2.300 50 0 BEAARN CC[C@@H](C(=O)N[C@@H](C)COC)c1ccccc1 ZINC000002739446 342726796 /nfs/dbraw/zinc/72/67/96/342726796.db2.gz XVBFXHJPAUEZEI-WCQYABFASA-N 0 0 235.327 2.331 50 0 BEAARN CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)cc1C ZINC000002846777 342727283 /nfs/dbraw/zinc/72/72/83/342727283.db2.gz WGOJWLCXKHCNGK-LLVKDONJSA-N 0 0 248.326 2.157 50 0 BEAARN CCCC[C@H](CC)C(=O)N[C@@H](C)COC ZINC000002852136 342727453 /nfs/dbraw/zinc/72/74/53/342727453.db2.gz BHBAUXGHDXYXHR-QWRGUYRKSA-N 0 0 215.337 2.354 50 0 BEAARN Cc1csc(SCC(=O)N2CCCC2)n1 ZINC000002871415 342727535 /nfs/dbraw/zinc/72/75/35/342727535.db2.gz UCQZGXHSXZGBCA-UHFFFAOYSA-N 0 0 242.369 2.166 50 0 BEAARN CCCC[C@@H](CC)C(=O)N[C@@H](C)COC ZINC000002852135 342727590 /nfs/dbraw/zinc/72/75/90/342727590.db2.gz BHBAUXGHDXYXHR-WDEREUQCSA-N 0 0 215.337 2.354 50 0 BEAARN CCCCOc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000002944748 342728562 /nfs/dbraw/zinc/72/85/62/342728562.db2.gz MBSPCPOKMWFVAG-LBPRGKRZSA-N 0 0 237.299 2.340 50 0 BEAARN CCn1cc(OC(=O)c2ccsc2)cn1 ZINC000170612109 361870467 /nfs/dbraw/zinc/87/04/67/361870467.db2.gz VKCPGQWKMLZHGA-UHFFFAOYSA-N 0 0 222.269 2.184 50 0 BEAARN CCCCCC(=O)NC(=O)c1ccccc1O ZINC000003121639 342730633 /nfs/dbraw/zinc/73/06/33/342730633.db2.gz QHJUZJHHDVCYHP-UHFFFAOYSA-N 0 0 235.283 2.229 50 0 BEAARN CCOC(=O)/C=C/c1cc(OC)cc(OC)c1 ZINC000003132377 342730904 /nfs/dbraw/zinc/73/09/04/342730904.db2.gz BYIUFYLSBXPKEU-AATRIKPKSA-N 0 0 236.267 2.280 50 0 BEAARN Cc1cc(N)n(-c2nc3ccccc3s2)n1 ZINC000003172635 342731215 /nfs/dbraw/zinc/73/12/15/342731215.db2.gz MAVWAUNAOWRFBW-UHFFFAOYSA-N 0 0 230.296 2.373 50 0 BEAARN Cn1ccnc1CNc1ccc(F)cc1F ZINC000034937794 342733117 /nfs/dbraw/zinc/73/31/17/342733117.db2.gz VQESXECJKTXTGF-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN Nc1ccnn1Cc1ccccc1Cl ZINC000003440654 342733498 /nfs/dbraw/zinc/73/34/98/342733498.db2.gz OMPYFUBKXQUIGG-UHFFFAOYSA-N 0 0 207.664 2.167 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)Cn2ccnc2)s1 ZINC000042511358 178431010 /nfs/dbraw/zinc/43/10/10/178431010.db2.gz DLTPFNMXBUDSKO-SECBINFHSA-N 0 0 249.339 2.072 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)c2ccncc2)o1 ZINC000006715494 178431022 /nfs/dbraw/zinc/43/10/22/178431022.db2.gz RVKZLIVJDQTTJP-SNVBAGLBSA-N 0 0 230.267 2.474 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)s1 ZINC000016603974 178431074 /nfs/dbraw/zinc/43/10/74/178431074.db2.gz CFKIOTBWINBACY-NXEZZACHSA-N 0 0 239.340 2.354 50 0 BEAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000003754813 342737368 /nfs/dbraw/zinc/73/73/68/342737368.db2.gz WRCCKEVVICUODU-GFCCVEGCSA-N 0 0 237.274 2.265 50 0 BEAARN Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000003747890 342737400 /nfs/dbraw/zinc/73/74/00/342737400.db2.gz RGIZTSOFIVJUAO-LBPRGKRZSA-N 0 0 219.284 2.044 50 0 biogenic BEAARN NNc1nc(Cl)c(Cl)cc1Cl ZINC000003886291 342738941 /nfs/dbraw/zinc/73/89/41/342738941.db2.gz INDHBHJIGGAHPB-UHFFFAOYSA-N 0 0 212.467 2.327 50 0 BEAARN O=C(CO)c1ccc(Cl)c(Cl)c1 ZINC000003883727 342738951 /nfs/dbraw/zinc/73/89/51/342738951.db2.gz VEQBTDISCZJNID-UHFFFAOYSA-N 0 0 205.040 2.168 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(F)cc2)no1 ZINC000003908602 342739771 /nfs/dbraw/zinc/73/97/71/342739771.db2.gz OWZHGWHBCSFTPW-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN O=C([O-])c1cccc(C[NH+]2CCCCC2)c1 ZINC000003953890 342739859 /nfs/dbraw/zinc/73/98/59/342739859.db2.gz UIXWGRXBYZGOQK-UHFFFAOYSA-N 0 0 219.284 2.371 50 0 in-vitro BEAARN CN(C)Cn1c2ccccc2oc1=S ZINC000004774831 342752056 /nfs/dbraw/zinc/75/20/56/342752056.db2.gz ZJXAPTKHNJLOCY-UHFFFAOYSA-N 0 0 208.286 2.483 50 0 BEAARN O=C([O-])c1ccc(C[NH+]2CCCCCC2)o1 ZINC000004992760 342755977 /nfs/dbraw/zinc/75/59/77/342755977.db2.gz OENIIOJDDXNNDW-UHFFFAOYSA-N 0 0 223.272 2.354 50 0 BEAARN C[C@H](N)c1nc(-c2ccccc2Cl)no1 ZINC000004992778 342756030 /nfs/dbraw/zinc/75/60/30/342756030.db2.gz BAYFUBWFNPSVMU-LURJTMIESA-N 0 0 223.663 2.410 50 0 BEAARN Cc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 ZINC000005212215 342760195 /nfs/dbraw/zinc/76/01/95/342760195.db2.gz BNMJZURGOFYNQV-UHFFFAOYSA-N 0 0 208.648 2.127 50 0 BEAARN Clc1cccc(-c2nn[nH]n2)c1Cl ZINC000005225484 342760681 /nfs/dbraw/zinc/76/06/81/342760681.db2.gz OICQEAMHYWSULT-UHFFFAOYSA-N 0 0 215.043 2.174 50 0 BEAARN CC(C)C(=O)N1CCc2ccccc2C1 ZINC000005380270 342762833 /nfs/dbraw/zinc/76/28/33/342762833.db2.gz MPCRQRGOXQYTQR-UHFFFAOYSA-N 0 0 203.285 2.227 50 0 BEAARN O=C([O-])[C@H]1CCCC[C@H]1[NH+]1CCCCC1 ZINC000005494854 342764898 /nfs/dbraw/zinc/76/48/98/342764898.db2.gz KPNDMTLVNQVGTD-WDEREUQCSA-N 0 0 211.305 2.116 50 0 BEAARN CC(C)(C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000005726544 342768853 /nfs/dbraw/zinc/76/88/53/342768853.db2.gz OEDNXWPHFWKCQA-UHFFFAOYSA-N 0 0 235.283 2.078 50 0 BEAARN CCCCCCSc1nc(N)n[nH]1 ZINC000005929276 342771702 /nfs/dbraw/zinc/77/17/02/342771702.db2.gz VEDCPCDENSXQHG-UHFFFAOYSA-N 0 0 200.311 2.059 50 0 BEAARN Cc1c(Cl)cccc1Nc1ncnc(N)n1 ZINC000006701606 342781135 /nfs/dbraw/zinc/78/11/35/342781135.db2.gz XYWGUTRJUZSEQY-UHFFFAOYSA-N 0 0 235.678 2.159 50 0 BEAARN CC[C@@H](C)Sc1nnc(NC(C)=O)s1 ZINC000006702061 342781173 /nfs/dbraw/zinc/78/11/73/342781173.db2.gz DAQSYXGFPCCMPD-RXMQYKEDSA-N 0 0 231.346 2.387 50 0 BEAARN CCOc1cc(C(N)=O)ccc1O[C@@H](C)CC ZINC000006701473 342781205 /nfs/dbraw/zinc/78/12/05/342781205.db2.gz SSMKMOXSNCWKJZ-VIFPVBQESA-N 0 0 237.299 2.362 50 0 BEAARN CCCc1nnc2sc(-c3cccnc3)nn12 ZINC000006746518 342781888 /nfs/dbraw/zinc/78/18/88/342781888.db2.gz ZIBWGVQIMSXFGD-UHFFFAOYSA-N 0 0 245.311 2.200 50 0 BEAARN Cc1cc(C(=O)N(C)C)c2ccc(F)cc2n1 ZINC000040511932 538971663 /nfs/dbraw/zinc/97/16/63/538971663.db2.gz GHIQCRRMMJFQQY-UHFFFAOYSA-N 0 0 232.258 2.384 50 0 BEAARN CCC(CC)NS(=O)(=O)c1ccccc1 ZINC000000371923 168390299 /nfs/dbraw/zinc/39/02/99/168390299.db2.gz SIMFCEUKXYSWFO-UHFFFAOYSA-N 0 0 227.329 2.154 50 0 BEAARN Cc1cccc(-c2nnc([C@@H](C)N)o2)c1 ZINC000011586083 342789762 /nfs/dbraw/zinc/78/97/62/342789762.db2.gz RWBQLBGEBWWCEE-MRVPVSSYSA-N 0 0 203.245 2.065 50 0 BEAARN Cn1cc(NC(=O)Nc2ccccc2F)cn1 ZINC000048051345 342792223 /nfs/dbraw/zinc/79/22/23/342792223.db2.gz JJNOKXZMMAUPED-UHFFFAOYSA-N 0 0 234.234 2.203 50 0 BEAARN Cc1nsc(NC(=O)c2ccc(C)cc2)n1 ZINC000027664474 178439024 /nfs/dbraw/zinc/43/90/24/178439024.db2.gz RKQJRPNGFWSUSK-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CN(Cc1ccco1)C(=O)c1ccoc1 ZINC000040474262 538971748 /nfs/dbraw/zinc/97/17/48/538971748.db2.gz BZCYNZLWMHPMRW-UHFFFAOYSA-N 0 0 205.213 2.145 50 0 BEAARN CCc1cc(C)c(C(=O)Nc2cnccn2)o1 ZINC000097379904 342795784 /nfs/dbraw/zinc/79/57/84/342795784.db2.gz FEENCKFQUGTIOO-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CCc1nc(-c2cc3ccccc3[nH]c2=O)no1 ZINC000009159335 342809093 /nfs/dbraw/zinc/80/90/93/342809093.db2.gz WBUWGZWEBXMTJO-UHFFFAOYSA-N 0 0 241.250 2.141 50 0 BEAARN Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000009646759 342823363 /nfs/dbraw/zinc/82/33/63/342823363.db2.gz HQWAGLLISXEQGE-UHFFFAOYSA-N 0 0 219.313 2.479 50 0 BEAARN Cc1cc(C)cc(OCCc2nnc(N)s2)c1 ZINC000008728159 342803827 /nfs/dbraw/zinc/80/38/27/342803827.db2.gz QHJVQWRXZYLHJN-UHFFFAOYSA-N 0 0 249.339 2.359 50 0 BEAARN CCOc1cccc(CO)c1OC(F)F ZINC000008734299 342804010 /nfs/dbraw/zinc/80/40/10/342804010.db2.gz PRYSMGKHDBSOIH-UHFFFAOYSA-N 0 0 218.199 2.179 50 0 BEAARN O=C1C[C@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000008771422 342804650 /nfs/dbraw/zinc/80/46/50/342804650.db2.gz XJEUJTQSRRCSCQ-SECBINFHSA-N 0 0 230.242 2.462 50 0 BEAARN COC(=O)[C@H](C)Sc1nc2ccccc2o1 ZINC000048101677 342806280 /nfs/dbraw/zinc/80/62/80/342806280.db2.gz VPHVHOAUARDNCV-ZETCQYMHSA-N 0 0 237.280 2.481 50 0 BEAARN Cc1cc(=O)[nH]c(SCc2ccccc2)n1 ZINC000008965124 342806329 /nfs/dbraw/zinc/80/63/29/342806329.db2.gz IJCWZWYJJJGSBT-UHFFFAOYSA-N 0 0 232.308 2.371 50 0 BEAARN O=c1cc(NC[C@H]2CCCO2)c2ccccc2o1 ZINC000009053326 342807444 /nfs/dbraw/zinc/80/74/44/342807444.db2.gz YYOPVRZWMGSFGG-SNVBAGLBSA-N 0 0 245.278 2.384 50 0 BEAARN COC(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000009095698 342807886 /nfs/dbraw/zinc/80/78/86/342807886.db2.gz CTFCPMQYQXWVMG-UHFFFAOYSA-N 0 0 238.630 2.177 50 0 BEAARN CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2C)s1 ZINC000042047904 361930102 /nfs/dbraw/zinc/93/01/02/361930102.db2.gz PKHAWROBGLPYHN-JGVFFNPUSA-N 0 0 239.344 2.331 50 0 BEAARN C[C@H](O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000010775482 342838180 /nfs/dbraw/zinc/83/81/80/342838180.db2.gz SVIDSEZTCSYHJS-LURJTMIESA-N 0 0 248.109 2.104 50 0 BEAARN Cn1ccnc1[C@H](N)c1ccccc1Cl ZINC000011735188 342843027 /nfs/dbraw/zinc/84/30/27/342843027.db2.gz FCOWEDHMZHDPIM-SNVBAGLBSA-N 0 0 221.691 2.122 50 0 BEAARN C[C@H](O)CNc1nc(Cl)nc2ccccc21 ZINC000011756470 342843269 /nfs/dbraw/zinc/84/32/69/342843269.db2.gz LKHJLQFUNUCSQZ-ZETCQYMHSA-N 0 0 237.690 2.076 50 0 BEAARN Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000012062421 342846102 /nfs/dbraw/zinc/84/61/02/342846102.db2.gz DWAVZZPMTMHXDU-UHFFFAOYSA-N 0 0 213.284 2.469 50 0 BEAARN Cc1cc(C)c2c(=O)[nH]c(=S)n(C3CC3)c2n1 ZINC000012394872 342850930 /nfs/dbraw/zinc/85/09/30/342850930.db2.gz COFRZFPQNHKKLF-UHFFFAOYSA-N 0 0 247.323 2.406 50 0 BEAARN CC(C)n1cc2c(n1)[nH]c(=O)cc2C(F)F ZINC000012397833 342851332 /nfs/dbraw/zinc/85/13/32/342851332.db2.gz SZTHGOFQCFINLT-UHFFFAOYSA-N 0 0 227.214 2.243 50 0 BEAARN Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000012480793 342852630 /nfs/dbraw/zinc/85/26/30/342852630.db2.gz HRULHPJPZUKSLZ-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN Cc1cc(=O)[nH]c2c1cnn2C1CCCC1 ZINC000012505318 342852769 /nfs/dbraw/zinc/85/27/69/342852769.db2.gz OWTCGDKEYSLZEF-UHFFFAOYSA-N 0 0 217.272 2.148 50 0 BEAARN O=C(c1csc2ccccc12)N1CCOCC1 ZINC000012905590 342860895 /nfs/dbraw/zinc/86/08/95/342860895.db2.gz CLICUGZWBRRGGI-UHFFFAOYSA-N 0 0 247.319 2.374 50 0 BEAARN C[C@@H](C(=O)N1CCc2ccccc21)n1cccn1 ZINC000012917568 342861017 /nfs/dbraw/zinc/86/10/17/342861017.db2.gz ISHYLCOUJUSFIB-NSHDSACASA-N 0 0 241.294 2.033 50 0 BEAARN CC(C)CNC(=O)c1ccc2c(c1)OCCCO2 ZINC000012918139 342861090 /nfs/dbraw/zinc/86/10/90/342861090.db2.gz RIFDODMNNAWTRJ-UHFFFAOYSA-N 0 0 249.310 2.234 50 0 BEAARN Cc1ccc(O)c(C(=O)Nc2nccs2)c1 ZINC000012941493 342861659 /nfs/dbraw/zinc/86/16/59/342861659.db2.gz NHEPOTNPGXFUSE-UHFFFAOYSA-N 0 0 234.280 2.409 50 0 BEAARN O=C(CCc1ccccc1F)N1CCCC1 ZINC000012975027 342862261 /nfs/dbraw/zinc/86/22/61/342862261.db2.gz HQLXLOZQGXQECR-UHFFFAOYSA-N 0 0 221.275 2.381 50 0 BEAARN S=c1[nH]nc(-c2ccccc2Cl)[nH]1 ZINC000013115177 342863819 /nfs/dbraw/zinc/86/38/19/342863819.db2.gz QYWRKNBGNJZYLS-UHFFFAOYSA-N 0 0 211.677 2.414 50 0 BEAARN c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1CNc1cnccn1 ZINC000301696380 398305111 /nfs/dbraw/zinc/30/51/11/398305111.db2.gz NDMFNBVIEPJMCG-VNHYZAJKSA-N 0 0 237.306 2.474 50 0 BEAARN O=c1nc[nH]c2sc3c(c21)CCCCC3 ZINC000013637803 342869198 /nfs/dbraw/zinc/86/91/98/342869198.db2.gz SMKVVKXYWCYSDN-UHFFFAOYSA-N 0 0 220.297 2.254 50 0 BEAARN Cc1ccc(N[C@H]2C[C@@H](C)NC(=S)N2)cc1 ZINC000013686457 342870322 /nfs/dbraw/zinc/87/03/22/342870322.db2.gz DTYOZCJJILFVHX-MWLCHTKSSA-N 0 0 235.356 2.401 50 0 BEAARN CCOc1ccc(CC(=O)Nc2ccon2)cc1 ZINC000013746939 342871162 /nfs/dbraw/zinc/87/11/62/342871162.db2.gz RZJXPPKOXSWPLV-UHFFFAOYSA-N 0 0 246.266 2.255 50 0 BEAARN CC[C@@H](C)NC(=O)CCc1ccc2c(c1)OCO2 ZINC000012737059 342856937 /nfs/dbraw/zinc/85/69/37/342856937.db2.gz YNDVGHWBAOZHQB-SNVBAGLBSA-N 0 0 249.310 2.263 50 0 BEAARN CONC(=O)c1ccc(Cl)cc1Cl ZINC000012800110 342858604 /nfs/dbraw/zinc/85/86/04/342858604.db2.gz CBKQTQUCSOAHMD-UHFFFAOYSA-N 0 0 220.055 2.285 50 0 BEAARN O=C(/C=C\c1ccc(F)cc1)O[C@H]1CCOC1 ZINC000096404652 398317405 /nfs/dbraw/zinc/31/74/05/398317405.db2.gz NIWVXTOQKJEUMV-RYBZSIHZSA-N 0 0 236.242 2.171 50 0 BEAARN Nc1ccc(Br)c(F)c1F ZINC000015444572 342896566 /nfs/dbraw/zinc/89/65/66/342896566.db2.gz UEVLRVBHLWKNEN-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Cn1cc2cccc(Br)c2n1 ZINC000015444594 342896590 /nfs/dbraw/zinc/89/65/90/342896590.db2.gz KPAYIFGPJOYWMM-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN CSC[C@H](C)C(=O)Nc1cc(F)ccc1O ZINC000096452124 398317886 /nfs/dbraw/zinc/31/78/86/398317886.db2.gz GFFAEIAEZXOWTB-ZETCQYMHSA-N 0 0 243.303 2.469 50 0 BEAARN CCCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000014831664 342888128 /nfs/dbraw/zinc/88/81/28/342888128.db2.gz JUAFEIGHVBWCRC-UHFFFAOYSA-N 0 0 220.272 2.384 50 0 BEAARN Cn1ccc(NC(=O)c2ccc3c(c2)CCC3)n1 ZINC000014899609 342889071 /nfs/dbraw/zinc/88/90/71/342889071.db2.gz KFFOOSYIBFLOKH-UHFFFAOYSA-N 0 0 241.294 2.161 50 0 BEAARN O=C1CCC[C@@H]2c3cc(F)ccc3N[C@H]12 ZINC000014987843 342890475 /nfs/dbraw/zinc/89/04/75/342890475.db2.gz IHIIJLANCVFABM-PELKAZGASA-N 0 0 205.232 2.456 50 0 BEAARN Cc1c[nH]c([C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000015020959 342890719 /nfs/dbraw/zinc/89/07/19/342890719.db2.gz NBWALRILKODKTK-MRVPVSSYSA-N 0 0 225.292 2.304 50 0 BEAARN CSc1nc(Cl)cc(NC2CC2)n1 ZINC000015021346 342890878 /nfs/dbraw/zinc/89/08/78/342890878.db2.gz GCUBJNZHGROFOJ-UHFFFAOYSA-N 0 0 215.709 2.426 50 0 BEAARN Cc1cc(Br)c2nccn2c1 ZINC000015021375 342890890 /nfs/dbraw/zinc/89/08/90/342890890.db2.gz IEXMXPBKRWDOBC-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN O=C1C[C@H](c2ccc(F)cc2F)c2c[nH]nc2N1 ZINC000015083341 342891670 /nfs/dbraw/zinc/89/16/70/342891670.db2.gz YYRKUIUQAYBENO-MRVPVSSYSA-N 0 0 249.220 2.162 50 0 BEAARN O=C([O-])[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000016082753 342906082 /nfs/dbraw/zinc/90/60/82/342906082.db2.gz NRQNCWGEIKPPEQ-UKRRQHHQSA-N 0 0 245.322 2.373 50 0 BEAARN CCCn1c2ccccc2nc1SCC(N)=O ZINC000016183018 342907874 /nfs/dbraw/zinc/90/78/74/342907874.db2.gz MBTSECPCTCBUNP-UHFFFAOYSA-N 0 0 249.339 2.024 50 0 BEAARN CCOc1ccc(C(=O)NC(C)C)cc1OC ZINC000016475636 342911008 /nfs/dbraw/zinc/91/10/08/342911008.db2.gz SXBJSCHEIRJEEW-UHFFFAOYSA-N 0 0 237.299 2.232 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)Cc1ccc(C)cc1 ZINC000016577530 342912792 /nfs/dbraw/zinc/91/27/92/342912792.db2.gz DQOADKZAFLAZDL-LLVKDONJSA-N 0 0 241.356 2.213 50 0 BEAARN Cc1nc(CNC(=O)Cc2ccccc2)cs1 ZINC000015832294 342901761 /nfs/dbraw/zinc/90/17/61/342901761.db2.gz OIYKDCKASLIGRC-UHFFFAOYSA-N 0 0 246.335 2.310 50 0 BEAARN C[C@H](NC(=O)C(C)(C)C)c1ccncc1 ZINC000016603602 342913407 /nfs/dbraw/zinc/91/34/07/342913407.db2.gz DYSCDQSOFROIGV-VIFPVBQESA-N 0 0 206.289 2.305 50 0 BEAARN CC(=O)N1N=C(C)C[C@H]1c1ccc(O)cc1 ZINC000000493852 346871720 /nfs/dbraw/zinc/87/17/20/346871720.db2.gz XEXDQDGLXRNLDA-LBPRGKRZSA-N 0 0 218.256 2.061 50 0 BEAARN CN(Cc1cnn(C)c1)Cc1ccccc1F ZINC000016971548 342918086 /nfs/dbraw/zinc/91/80/86/342918086.db2.gz BAYIRZSSEZSZMG-UHFFFAOYSA-N 0 0 233.290 2.191 50 0 BEAARN Nc1nc2cc(Br)ccc2o1 ZINC000016970345 342918101 /nfs/dbraw/zinc/91/81/01/342918101.db2.gz HMRSJGDFTOUVBW-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN CCCCS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000016971659 342918284 /nfs/dbraw/zinc/91/82/84/342918284.db2.gz PXEQYQVGWPQRRD-QWRGUYRKSA-N 0 0 233.377 2.094 50 0 BEAARN C[C@@]1(CO)COC(Cc2ccc(Cl)cc2)=N1 ZINC000000495180 346877844 /nfs/dbraw/zinc/87/78/44/346877844.db2.gz NADURUBJGUBRSQ-GFCCVEGCSA-N 0 0 239.702 2.062 50 0 BEAARN CCOc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 ZINC000017879292 342929363 /nfs/dbraw/zinc/92/93/63/342929363.db2.gz OYLYPKPARZFLJF-UHFFFAOYSA-N 0 0 245.282 2.221 50 0 BEAARN CC(C)(F)C(=O)Nc1ccc(O)cc1F ZINC000124377478 398338819 /nfs/dbraw/zinc/33/88/19/398338819.db2.gz NRDQYYKEQFYKNW-UHFFFAOYSA-N 0 0 215.199 2.218 50 0 BEAARN CCC[C@@H]1CCCC[C@H]1NC(=O)COC ZINC000071796116 398331164 /nfs/dbraw/zinc/33/11/64/398331164.db2.gz GEFMBXWDCJMAFY-GHMZBOCLSA-N 0 0 213.321 2.108 50 0 BEAARN O=C(/C=C/c1ccco1)NCc1cccnc1 ZINC000000270857 398332732 /nfs/dbraw/zinc/33/27/32/398332732.db2.gz NBOHOZOXFSNLGE-AATRIKPKSA-N 0 0 228.251 2.004 50 0 BEAARN CCCC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000000276430 398333001 /nfs/dbraw/zinc/33/30/01/398333001.db2.gz KFOVMGGHBPBPSZ-UHFFFAOYSA-N 0 0 232.235 2.499 50 0 BEAARN CCCNC(=O)N1CCC2(CCCCO2)CC1 ZINC000257190519 398333467 /nfs/dbraw/zinc/33/34/67/398333467.db2.gz OTLRZLDQIKHVNH-UHFFFAOYSA-N 0 0 240.347 2.141 50 0 BEAARN Nc1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000019505633 342949898 /nfs/dbraw/zinc/94/98/98/342949898.db2.gz OPCMOBZOGLGRKI-UHFFFAOYSA-N 0 0 228.177 2.073 50 0 BEAARN Nc1cc(Br)ccc1-n1cccn1 ZINC000019506726 342950058 /nfs/dbraw/zinc/95/00/58/342950058.db2.gz LNMGZDUQHMYCOQ-UHFFFAOYSA-N 0 0 238.088 2.217 50 0 BEAARN Clc1ccc(OCCN2CCOCC2)cc1 ZINC000019638949 342952819 /nfs/dbraw/zinc/95/28/19/342952819.db2.gz FLLBKNVHCDOVQG-UHFFFAOYSA-N 0 0 241.718 2.051 50 0 BEAARN Cn1c2ccccc2n(CC(=O)C(C)(C)C)c1=N ZINC000019642807 342952865 /nfs/dbraw/zinc/95/28/65/342952865.db2.gz AXGOFAWLPKTGJK-UHFFFAOYSA-N 0 0 245.326 2.074 50 0 BEAARN Clc1ccccc1OCCN1CCOCC1 ZINC000019639501 342952891 /nfs/dbraw/zinc/95/28/91/342952891.db2.gz PKFXYFVPELUXPZ-UHFFFAOYSA-N 0 0 241.718 2.051 50 0 BEAARN Nc1cccc(COC[C@H]2CCCCO2)c1 ZINC000019402450 342947875 /nfs/dbraw/zinc/94/78/75/342947875.db2.gz XHUFKKHHDLIONK-CYBMUJFWSA-N 0 0 221.300 2.355 50 0 BEAARN CCCCOc1ccc(-c2nonc2N)cc1 ZINC000019772651 342957023 /nfs/dbraw/zinc/95/70/23/342957023.db2.gz LONWKQHSXJCVGU-UHFFFAOYSA-N 0 0 233.271 2.498 50 0 BEAARN O=C(c1ccccc1)c1ccc(CO)cc1 ZINC000037638507 342962753 /nfs/dbraw/zinc/96/27/53/342962753.db2.gz YZHGHGHCDSLOBP-UHFFFAOYSA-N 0 0 212.248 2.410 50 0 BEAARN N[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000019841786 342959576 /nfs/dbraw/zinc/95/95/76/342959576.db2.gz NUQMLXJXZQWPFY-VIFPVBQESA-N 0 0 233.189 2.020 50 0 BEAARN COC(=O)[C@@H](N)c1ccc(Cl)cc1Cl ZINC000020146315 342972211 /nfs/dbraw/zinc/97/22/11/342972211.db2.gz QAOMIBWFHLOTTI-QMMMGPOBSA-N 0 0 234.082 2.166 50 0 BEAARN CC(C)CC(=O)Nc1ccc(F)c(N)c1 ZINC000020157390 342972823 /nfs/dbraw/zinc/97/28/23/342972823.db2.gz GFBSQEZIAQMQKQ-UHFFFAOYSA-N 0 0 210.252 2.393 50 0 BEAARN Nc1ccc(NC(=O)[C@H]2CCCO2)c(Cl)c1 ZINC000020157145 342972867 /nfs/dbraw/zinc/97/28/67/342972867.db2.gz QYJNPCULYBHFIU-SNVBAGLBSA-N 0 0 240.690 2.040 50 0 BEAARN Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000020156127 342972882 /nfs/dbraw/zinc/97/28/82/342972882.db2.gz CJFVHCYKPYDKIG-UHFFFAOYSA-N 0 0 224.691 2.158 50 0 BEAARN Nc1ccc(O)c(-c2nc3cnccc3o2)c1 ZINC000020158665 342973159 /nfs/dbraw/zinc/97/31/59/342973159.db2.gz DYLNWJYMBSJXEG-UHFFFAOYSA-N 0 0 227.223 2.178 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(N)c(C)c1 ZINC000020195089 342976172 /nfs/dbraw/zinc/97/61/72/342976172.db2.gz UZIZWARRXCEWFQ-SECBINFHSA-N 0 0 206.289 2.106 50 0 BEAARN CCCCCNC(=O)c1cnc(C)nc1C ZINC000019937105 342963627 /nfs/dbraw/zinc/96/36/27/342963627.db2.gz MTQOSOXXHKFANJ-UHFFFAOYSA-N 0 0 221.304 2.013 50 0 BEAARN Cc1ccc(NC(=O)CCn2cccn2)cc1 ZINC000020602975 342992287 /nfs/dbraw/zinc/99/22/87/342992287.db2.gz WZNDOFAACHJKTM-UHFFFAOYSA-N 0 0 229.283 2.220 50 0 BEAARN Cc1cc(C[NH+]2CCSCC2)ccc1N ZINC000020257440 342978919 /nfs/dbraw/zinc/97/89/19/342978919.db2.gz KXVZIXBZVPWLFS-UHFFFAOYSA-N 0 0 222.357 2.126 50 0 BEAARN Nc1ccc(Cl)c(NC(=O)[C@H]2CCCO2)c1 ZINC000020343071 342982403 /nfs/dbraw/zinc/98/24/03/342982403.db2.gz MMCBXFYAODEJAH-SNVBAGLBSA-N 0 0 240.690 2.040 50 0 BEAARN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC ZINC000020483096 342987316 /nfs/dbraw/zinc/98/73/16/342987316.db2.gz LSXRXYPNEYCMLH-SNVBAGLBSA-N 0 0 227.691 2.243 50 0 BEAARN O=C(OCc1cncs1)c1ccncc1F ZINC000097101402 344021855 /nfs/dbraw/zinc/02/18/55/344021855.db2.gz GOJKFVWEYKGFSR-UHFFFAOYSA-N 0 0 238.243 2.034 50 0 BEAARN CSCC[C@H](N)c1nc(-c2ccccc2)no1 ZINC000021040200 343002724 /nfs/dbraw/zinc/00/27/24/343002724.db2.gz QPCBXLRZAVWPMC-JTQLQIEISA-N 0 0 249.339 2.490 50 0 BEAARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2c[nH]nc2N1 ZINC000020720764 342994368 /nfs/dbraw/zinc/99/43/68/342994368.db2.gz PLLPEHQBRILBPU-ZETCQYMHSA-N 0 0 249.220 2.162 50 0 BEAARN CC(C)c1noc(-c2ccccc2N)n1 ZINC000021518728 343014623 /nfs/dbraw/zinc/01/46/23/343014623.db2.gz BLBYFWXEWFCDLJ-UHFFFAOYSA-N 0 0 203.245 2.442 50 0 BEAARN Cc1ccsc1C(=O)Nc1ncccc1O ZINC000021901753 343026514 /nfs/dbraw/zinc/02/65/14/343026514.db2.gz UHRWCTRBSZSOIK-UHFFFAOYSA-N 0 0 234.280 2.409 50 0 BEAARN Cc1csc(CNC(=O)C[C@H]2C=CCC2)n1 ZINC000021482728 343013737 /nfs/dbraw/zinc/01/37/37/343013737.db2.gz XLDFLVVKYAAWLQ-JTQLQIEISA-N 0 0 236.340 2.424 50 0 BEAARN Cn1ccnc1[C@@H](O)c1ccc(Cl)cc1 ZINC000022115151 343040337 /nfs/dbraw/zinc/04/03/37/343040337.db2.gz RTEQGPTVSNWJNT-JTQLQIEISA-N 0 0 222.675 2.155 50 0 BEAARN O=c1ccc2c([nH]1)C[C@@H](c1cccs1)CC2=O ZINC000022127173 343041222 /nfs/dbraw/zinc/04/12/22/343041222.db2.gz CQWIEPYVQOJWBA-MRVPVSSYSA-N 0 0 245.303 2.349 50 0 BEAARN Nc1ccc(F)c(NC(=O)c2cccnc2)c1 ZINC000022145352 343042337 /nfs/dbraw/zinc/04/23/37/343042337.db2.gz VFJYQRBBXBMQPQ-UHFFFAOYSA-N 0 0 231.230 2.055 50 0 BEAARN O=C(c1cccnc1Cl)N1C[C@@H]2CC[C@H]1C2 ZINC000021953187 343029780 /nfs/dbraw/zinc/02/97/80/343029780.db2.gz JUHZQALPQSXQCG-BDAKNGLRSA-N 0 0 236.702 2.360 50 0 BEAARN Nc1ccnc(Cl)c1Br ZINC000021981761 343031616 /nfs/dbraw/zinc/03/16/16/343031616.db2.gz KTWAUKYSQFZIET-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Cc1csc(CNC(=O)c2ccoc2C)n1 ZINC000022282301 343045821 /nfs/dbraw/zinc/04/58/21/343045821.db2.gz WXFLGGGYTVEHFX-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN CC(C)n1nccc1NC(=O)c1ccoc1 ZINC000022290683 343046266 /nfs/dbraw/zinc/04/62/66/343046266.db2.gz LBFFKIWVOYWBEO-UHFFFAOYSA-N 0 0 219.244 2.309 50 0 BEAARN Cc1ccc(C)c(N[C@@H]2C=CS(=O)(=O)C2)c1 ZINC000040173671 178486228 /nfs/dbraw/zinc/48/62/28/178486228.db2.gz UICWHXHAKQKZOG-LLVKDONJSA-N 0 0 237.324 2.026 50 0 BEAARN Cn1ccc(NC(=O)CCC2CCCC2)n1 ZINC000022614137 343052126 /nfs/dbraw/zinc/05/21/26/343052126.db2.gz MANBENCIBFJZSA-UHFFFAOYSA-N 0 0 221.304 2.329 50 0 BEAARN C[C@H](NC(=O)C1CCOCC1)c1cccs1 ZINC000023271781 343062736 /nfs/dbraw/zinc/06/27/36/343062736.db2.gz XMWUGZGMVPRVIJ-VIFPVBQESA-N 0 0 239.340 2.352 50 0 BEAARN CCCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000024448360 343072823 /nfs/dbraw/zinc/07/28/23/343072823.db2.gz QRSDAHQIVQIMHQ-UHFFFAOYSA-N 0 0 246.310 2.317 50 0 BEAARN COC(=O)Cn1c(-c2ccccc2)c[nH]c1=S ZINC000026424310 343104901 /nfs/dbraw/zinc/10/49/01/343104901.db2.gz DLUXLZQETGACTB-UHFFFAOYSA-N 0 0 248.307 2.386 50 0 BEAARN C[C@H](CO)[C@H]1CC[C@@H]2[C@@H](O)CCC[C@]12C ZINC000026522181 343106605 /nfs/dbraw/zinc/10/66/05/343106605.db2.gz FUBPRYXDIHQLGH-NJMOYASZSA-N 0 0 212.333 2.192 50 0 BEAARN Cc1cn2nc(N3CCCCCC3)sc2n1 ZINC000026690457 343107624 /nfs/dbraw/zinc/10/76/24/343107624.db2.gz JWTBATINCZWSLA-UHFFFAOYSA-N 0 0 236.344 2.480 50 0 BEAARN CC/C=C/C(=O)N1CCn2cccc2[C@H]1C ZINC000072275371 343129623 /nfs/dbraw/zinc/12/96/23/343129623.db2.gz JUYYXRALIRHGCY-TZOMUSMUSA-N 0 0 218.300 2.358 50 0 BEAARN Cc1cc(=O)oc(C)c1C(=O)N1CCCCCC1 ZINC000000506162 346930309 /nfs/dbraw/zinc/93/03/09/346930309.db2.gz RZKJDHFKDCYBOS-UHFFFAOYSA-N 0 0 249.310 2.273 50 0 BEAARN C/C=C/c1ccc(OCC(=O)OC)c(OC)c1 ZINC000030834256 343208616 /nfs/dbraw/zinc/20/86/16/343208616.db2.gz ADQWZZPCGOXVIC-SNAWJCMRSA-N 0 0 236.267 2.280 50 0 biogenic,in-vitro BEAARN C/C=C/c1ccc(OCCNC(C)=O)c(OC)c1 ZINC000030952957 343213697 /nfs/dbraw/zinc/21/36/97/343213697.db2.gz GSAFHYSAZDJFGS-SNAWJCMRSA-N 0 0 249.310 2.243 50 0 BEAARN COC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000013118003 346930838 /nfs/dbraw/zinc/93/08/38/346930838.db2.gz KXNVNWHABSNJEB-UHFFFAOYSA-N 0 0 236.296 2.136 50 0 BEAARN C[NH+]1CCC(Oc2ccc(Cl)cc2N)CC1 ZINC000031978711 343226953 /nfs/dbraw/zinc/22/69/53/343226953.db2.gz WMOSOFFFAVPKSM-UHFFFAOYSA-N 0 0 240.734 2.395 50 0 BEAARN CC(C)CNC(=O)Cn1ccc2ccccc21 ZINC000032104131 343230182 /nfs/dbraw/zinc/23/01/82/343230182.db2.gz VQTFUDJGLZNPFA-UHFFFAOYSA-N 0 0 230.311 2.414 50 0 BEAARN CCc1cc(CN(C)Cc2c(C)noc2C)on1 ZINC000215394796 136277712 /nfs/dbraw/zinc/27/77/12/136277712.db2.gz IYHRGCNJDWMBAM-UHFFFAOYSA-N 0 0 249.314 2.474 50 0 BEAARN CC[C@H]1CCCCN1C(=O)[C@@H](C)n1cccn1 ZINC000032765521 343242305 /nfs/dbraw/zinc/24/23/05/343242305.db2.gz HCKLXEZRWMDWCU-NEPJUHHUSA-N 0 0 235.331 2.235 50 0 BEAARN Cc1cc(C)n(CC(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000032843919 343243035 /nfs/dbraw/zinc/24/30/35/343243035.db2.gz GTNNAWFIMMUUSZ-PHIMTYICSA-N 0 0 249.358 2.004 50 0 BEAARN Cn1ccc(NC(=O)C(C)(C)c2ccccc2)n1 ZINC000032903496 343243635 /nfs/dbraw/zinc/24/36/35/343243635.db2.gz RQMOXBGWWUYXCX-UHFFFAOYSA-N 0 0 243.310 2.336 50 0 BEAARN Cc1occc1C(=O)NCCc1ccco1 ZINC000048365815 343252580 /nfs/dbraw/zinc/25/25/80/343252580.db2.gz FUBQINWYYNCJSW-UHFFFAOYSA-N 0 0 219.240 2.154 50 0 BEAARN Fc1cccc2oc(N3CCCO3)nc21 ZINC000335778482 344029506 /nfs/dbraw/zinc/02/95/06/344029506.db2.gz FMCZMFDMZZZIKI-UHFFFAOYSA-N 0 0 208.192 2.109 50 0 BEAARN Cc1csc(CNC(=O)Nc2cccnc2)n1 ZINC000048405852 343262124 /nfs/dbraw/zinc/26/21/24/343262124.db2.gz LAOFZPOKGRJYSP-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CC(O)C2)CC1 ZINC000033975896 343263259 /nfs/dbraw/zinc/26/32/59/343263259.db2.gz QTKGBUXGQNHIIM-UHFFFAOYSA-N 0 0 241.331 2.158 50 0 BEAARN Nc1ccc(F)c(Br)c1F ZINC000034139433 343265203 /nfs/dbraw/zinc/26/52/03/343265203.db2.gz NUDDKKLQNVWKRU-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN CC(C)(C)OC(=O)[C@H](N)CCc1ccccc1 ZINC000034310097 343268028 /nfs/dbraw/zinc/26/80/28/343268028.db2.gz CANQRTXTMVVNCH-GFCCVEGCSA-N 0 0 235.327 2.288 50 0 BEAARN CC(=O)Oc1c2ccoc2cc2oc(=O)ccc21 ZINC000000309924 343269231 /nfs/dbraw/zinc/26/92/31/343269231.db2.gz AZRCRZRFGJXBFW-UHFFFAOYSA-N 0 0 244.202 2.465 50 0 BEAARN CCc1ccc(C(=O)Nc2ncccn2)cc1 ZINC000000243358 343269383 /nfs/dbraw/zinc/26/93/83/343269383.db2.gz ACHVLDUIGCTUKM-UHFFFAOYSA-N 0 0 227.267 2.291 50 0 BEAARN O=C1CCCc2c1nc(-c1cccc(F)c1)n2O ZINC000000209747 343269584 /nfs/dbraw/zinc/26/95/84/343269584.db2.gz MSJWVJBQWIPMPT-UHFFFAOYSA-N 0 0 246.241 2.446 50 0 BEAARN CC1=NN(C(=O)c2ccccc2)[C@@](C)(O)C1(C)C ZINC000000870184 343270319 /nfs/dbraw/zinc/27/03/19/343270319.db2.gz WHTDOWIWFZLPEJ-AWEZNQCLSA-N 0 0 246.310 2.253 50 0 BEAARN COc1cc(Br)cc(C)c1O ZINC000034428294 343270697 /nfs/dbraw/zinc/27/06/97/343270697.db2.gz UGZGMKGTJRTCFV-UHFFFAOYSA-N 0 0 217.062 2.472 50 0 BEAARN CNc1ccc(Br)cc1N ZINC000034455381 343271269 /nfs/dbraw/zinc/27/12/69/343271269.db2.gz JGXCXQPNYWBAGW-UHFFFAOYSA-N 0 0 201.067 2.073 50 0 BEAARN CCN1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC000019770511 343271460 /nfs/dbraw/zinc/27/14/60/343271460.db2.gz XHERDIZNYSBKLZ-UHFFFAOYSA-N 0 0 238.375 2.121 50 0 BEAARN Cc1ccc2cc(C=O)c(N(C)C)nc2c1 ZINC000020110044 343271556 /nfs/dbraw/zinc/27/15/56/343271556.db2.gz QNSLAQISKFRUTN-UHFFFAOYSA-N 0 0 214.268 2.422 50 0 BEAARN Cc1cnn(C(=O)[C@@]2(C)CC2(Cl)Cl)c1 ZINC000002872669 343272334 /nfs/dbraw/zinc/27/23/34/343272334.db2.gz BFZOISGRPLUCIP-MRVPVSSYSA-N 0 0 233.098 2.416 50 0 BEAARN C=Cc1ccccc1CN1CCOCC1 ZINC000022340228 343272536 /nfs/dbraw/zinc/27/25/36/343272536.db2.gz ZOVLOFVWSREKHZ-UHFFFAOYSA-N 0 0 203.285 2.162 50 0 BEAARN Cc1ccc2[nH]c(CSCCO)nc2c1 ZINC000022216087 343272543 /nfs/dbraw/zinc/27/25/43/343272543.db2.gz QGNYGAUBQBTTIK-UHFFFAOYSA-N 0 0 222.313 2.097 50 0 BEAARN Clc1ccnc(I)c1 ZINC000034511260 343273840 /nfs/dbraw/zinc/27/38/40/343273840.db2.gz GGGYBMCVKQXJBU-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 BEAARN O=C1COc2cc(Br)ccc21 ZINC000036533492 343319849 /nfs/dbraw/zinc/31/98/49/343319849.db2.gz CJEHZCSKQCWMJL-UHFFFAOYSA-N 0 0 213.030 2.024 50 0 BEAARN COC(=O)CCNc1cccc(Cl)c1 ZINC000036671210 343321990 /nfs/dbraw/zinc/32/19/90/343321990.db2.gz XPIGGVNFTOYVPC-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN Clc1ncnc2[nH]c(Br)cc21 ZINC000035269911 343291263 /nfs/dbraw/zinc/29/12/63/343291263.db2.gz NJPXMLQSSKQIJH-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc(=O)[nH]c1Cl ZINC000035270506 343291354 /nfs/dbraw/zinc/29/13/54/343291354.db2.gz CQNMJXZSXBSFLZ-UHFFFAOYSA-N 0 0 228.679 2.425 50 0 BEAARN CC(C)CCn1cnc2ccc(N)cc2c1=O ZINC000035328445 343294163 /nfs/dbraw/zinc/29/41/63/343294163.db2.gz KVSYDCWEOZGBND-UHFFFAOYSA-N 0 0 231.299 2.025 50 0 BEAARN C[C@@H](CC(=O)N1CCC(O)CC1)CC(C)(C)C ZINC000035611816 343300534 /nfs/dbraw/zinc/30/05/34/343300534.db2.gz GGYQZOYDEKJSOK-NSHDSACASA-N 0 0 241.375 2.432 50 0 BEAARN O=c1[nH]c2ccccc2n(C2CCCCC2)c1=O ZINC000035683201 343302042 /nfs/dbraw/zinc/30/20/42/343302042.db2.gz KQQIDKXNZWTPDZ-UHFFFAOYSA-N 0 0 244.294 2.195 50 0 BEAARN Nc1cccc(-c2nc(-c3ccco3)n[nH]2)c1 ZINC000036047735 343307313 /nfs/dbraw/zinc/30/73/13/343307313.db2.gz UFFWRJSBUGVPDI-UHFFFAOYSA-N 0 0 226.239 2.314 50 0 BEAARN C[C@H](c1ccccn1)N1CCOC(C)(C)C1 ZINC000072312057 343313519 /nfs/dbraw/zinc/31/35/19/343313519.db2.gz HTEJGLIZUXXIJC-LLVKDONJSA-N 0 0 220.316 2.253 50 0 BEAARN Cc1[nH]c2ccc(C(N)=S)cc2c1C ZINC000036379921 343317331 /nfs/dbraw/zinc/31/73/31/343317331.db2.gz IZPVZTKQYGFGLH-UHFFFAOYSA-N 0 0 204.298 2.419 50 0 BEAARN CCCCc1c(C)nc2nc(=S)[nH]n2c1C ZINC000036379557 343317396 /nfs/dbraw/zinc/31/73/96/343317396.db2.gz RWWSALCPFWNLQI-UHFFFAOYSA-N 0 0 236.344 2.372 50 0 BEAARN O=C(OCc1ccccc1)N1CCC[C@H](O)CC1 ZINC000038339314 343374227 /nfs/dbraw/zinc/37/42/27/343374227.db2.gz GJXUQWPNVHGPQC-ZDUSSCGKSA-N 0 0 249.310 2.170 50 0 BEAARN COC(=O)Cc1sc(N)nc1-c1ccccc1 ZINC000038342202 343374286 /nfs/dbraw/zinc/37/42/86/343374286.db2.gz UEALQOSQARFHSD-UHFFFAOYSA-N 0 0 248.307 2.108 50 0 BEAARN Nc1cc(Cl)c(Br)cn1 ZINC000038534260 343376263 /nfs/dbraw/zinc/37/62/63/343376263.db2.gz DDOFUMWLNSICHU-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN COC(=O)CCCOc1ccccc1F ZINC000037286736 343342563 /nfs/dbraw/zinc/34/25/63/343342563.db2.gz WJHGOMVMNRMMTJ-UHFFFAOYSA-N 0 0 212.220 2.158 50 0 BEAARN COC(=O)CCCOCc1ccccc1 ZINC000037286802 343343224 /nfs/dbraw/zinc/34/32/24/343343224.db2.gz HYPAAZHXIYWJBO-UHFFFAOYSA-N 0 0 208.257 2.156 50 0 BEAARN CC(C)(C)OC(=O)CNCc1ccccc1 ZINC000037390665 343344555 /nfs/dbraw/zinc/34/45/55/343344555.db2.gz UURAHTSUPDIUNL-UHFFFAOYSA-N 0 0 221.300 2.118 50 0 BEAARN FC[C@@H]1C[N@H+](Cc2ccsc2)CCCO1 ZINC000335643614 136303930 /nfs/dbraw/zinc/30/39/30/136303930.db2.gz QVTRJZCPAHZVPL-LLVKDONJSA-N 0 0 229.320 2.309 50 0 BEAARN NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000037467245 343346288 /nfs/dbraw/zinc/34/62/88/343346288.db2.gz SBXDENYROQKXBE-UHFFFAOYSA-N 0 0 233.292 2.001 50 0 BEAARN CC(C)c1cccc(NC(=O)[C@@H]2CCC(=O)N2)c1 ZINC000032986235 343350902 /nfs/dbraw/zinc/35/09/02/343350902.db2.gz RINMTWTVDLRXDY-LBPRGKRZSA-N 0 0 246.310 2.027 50 0 BEAARN O=C(c1ccc(Cl)cc1)c1ncccn1 ZINC000037658101 343350998 /nfs/dbraw/zinc/35/09/98/343350998.db2.gz CQXSPCXVLBTZST-UHFFFAOYSA-N 0 0 218.643 2.361 50 0 BEAARN CC(C)=CCN1CC(n2nc(C)cc2C)C1 ZINC000071880746 343351289 /nfs/dbraw/zinc/35/12/89/343351289.db2.gz BKDNQZWYJFBOIB-UHFFFAOYSA-N 0 0 219.332 2.323 50 0 BEAARN CC(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000037695105 343351785 /nfs/dbraw/zinc/35/17/85/343351785.db2.gz MQZMQRPCNLHVND-KGLIPLIRSA-N 0 0 249.310 2.327 50 0 BEAARN Cc1cnn(C2CN(Cc3ccc(F)cc3)C2)c1 ZINC000072253837 343353465 /nfs/dbraw/zinc/35/34/65/343353465.db2.gz ORBAGOQBHNEGTI-UHFFFAOYSA-N 0 0 245.301 2.388 50 0 BEAARN Cc1ccc(CC(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000072442440 178520472 /nfs/dbraw/zinc/52/04/72/178520472.db2.gz YXMWECHQYKCSRC-CQSZACIVSA-N 0 0 247.338 2.141 50 0 BEAARN O=C1Cc2cc(Cl)c(Cl)cc2N1 ZINC000039289445 343388474 /nfs/dbraw/zinc/38/84/74/343388474.db2.gz ADDAYZCZQHOPJX-UHFFFAOYSA-N 0 0 202.040 2.488 50 0 BEAARN Cc1oc(-c2ccc(F)cc2)nc1C[NH3+] ZINC000039320289 343388563 /nfs/dbraw/zinc/38/85/63/343388563.db2.gz OOULPTLQIGBCDW-UHFFFAOYSA-N 0 0 206.220 2.248 50 0 BEAARN C[C@@H](C(=O)N(C)C1CCCCC1)n1cccn1 ZINC000040060205 343395600 /nfs/dbraw/zinc/39/56/00/343395600.db2.gz IRMBOXCNAORRMH-NSHDSACASA-N 0 0 235.331 2.235 50 0 BEAARN Nc1ccccc1-c1nc(-c2ccccn2)n[nH]1 ZINC000040162951 343397407 /nfs/dbraw/zinc/39/74/07/343397407.db2.gz BRGVDBMZFWNCBT-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN Nc1ccccc1-c1nnc(-c2cccnc2)[nH]1 ZINC000040175752 343397751 /nfs/dbraw/zinc/39/77/51/343397751.db2.gz DPZTZDYPMHFYOB-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN Nc1nc2ccc(Br)nc2s1 ZINC000040448736 343404013 /nfs/dbraw/zinc/40/40/13/343404013.db2.gz XYEWTFOCPLSOIC-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN Cc1ccc(CC(=O)Nc2nncs2)cc1 ZINC000000804731 178524556 /nfs/dbraw/zinc/52/45/56/178524556.db2.gz YFGRTFJWFOFHOS-UHFFFAOYSA-N 0 0 233.296 2.028 50 0 BEAARN CC[C@@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000335732365 136349315 /nfs/dbraw/zinc/34/93/15/136349315.db2.gz VJHIPGSULFSAGI-HTQZYQBOSA-N 0 0 223.238 2.443 50 0 BEAARN Clc1cncc(NCc2cccnc2)n1 ZINC000042256416 343432769 /nfs/dbraw/zinc/43/27/69/343432769.db2.gz JYCQTMUXKDCUKF-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN C[C@H](O)CCNc1ccc(Br)cn1 ZINC000042783907 343453399 /nfs/dbraw/zinc/45/33/99/343453399.db2.gz MEKCECWQVYWMBU-ZETCQYMHSA-N 0 0 245.120 2.027 50 0 BEAARN Clc1cncc(NCc2ccncc2)n1 ZINC000042784043 343453762 /nfs/dbraw/zinc/45/37/62/343453762.db2.gz RUYVFPKDYKVUPP-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN CN(N)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000043179053 343465106 /nfs/dbraw/zinc/46/51/06/343465106.db2.gz KSQPQFLFBRCOON-UHFFFAOYSA-N 0 0 225.601 2.064 50 0 BEAARN Cc1cc(C(=O)N(Cc2ccco2)C2CC2)no1 ZINC000044698434 343512096 /nfs/dbraw/zinc/51/20/96/343512096.db2.gz YXVSQPSJKZIKHS-UHFFFAOYSA-N 0 0 246.266 2.381 50 0 BEAARN Cc1csc(NC(=O)Cc2ccc(C)nc2)n1 ZINC000044972518 343520144 /nfs/dbraw/zinc/52/01/44/343520144.db2.gz QPAYPUAOBVIZBO-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000045969767 343536600 /nfs/dbraw/zinc/53/66/00/343536600.db2.gz AEPQVLGQROGSGY-SNVBAGLBSA-N 0 0 239.290 2.365 50 0 BEAARN CN1C(=O)c2ccccc2N[C@@H]1c1ccncc1 ZINC000048376006 343579435 /nfs/dbraw/zinc/57/94/35/343579435.db2.gz LVGIEMHFCKANPN-ZDUSSCGKSA-N 0 0 239.278 2.278 50 0 BEAARN O=C1Cc2cccc(Br)c2C1 ZINC000049588556 343603923 /nfs/dbraw/zinc/60/39/23/343603923.db2.gz SWTMVUZONAQICS-UHFFFAOYSA-N 0 0 211.058 2.117 50 0 BEAARN O=C1Cc2ccc(Br)cc2C1 ZINC000049588531 343603950 /nfs/dbraw/zinc/60/39/50/343603950.db2.gz JQBSSMBLVVTRKJ-UHFFFAOYSA-N 0 0 211.058 2.117 50 0 BEAARN O=c1cc[nH]c2c(Br)ccc(F)c12 ZINC000049582000 343603967 /nfs/dbraw/zinc/60/39/67/343603967.db2.gz NGLVFYGOSNNWEE-UHFFFAOYSA-N 0 0 242.047 2.430 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000021540977 343629692 /nfs/dbraw/zinc/62/96/92/343629692.db2.gz VVDQSLVUXIMRQZ-MRVPVSSYSA-N 0 0 217.272 2.091 50 0 BEAARN COCOc1ccc(Br)cc1C=O ZINC000083748968 343664153 /nfs/dbraw/zinc/66/41/53/343664153.db2.gz HBRCVMVYLKEPJO-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN Cc1cc(C)nc(NC(=O)CC(C)C)n1 ZINC000000513878 346952995 /nfs/dbraw/zinc/95/29/95/346952995.db2.gz QJNGOOWSWSUMCX-UHFFFAOYSA-N 0 0 207.277 2.078 50 0 BEAARN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000088046987 343697481 /nfs/dbraw/zinc/69/74/81/343697481.db2.gz CKAKPXROXNNPQF-ZETCQYMHSA-N 0 0 245.681 2.384 50 0 BEAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000021787336 343740196 /nfs/dbraw/zinc/74/01/96/343740196.db2.gz GZSLMVKWOQNHHM-LBPRGKRZSA-N 0 0 229.283 2.246 50 0 BEAARN CC[C@@H](c1ccccc1)n1c(=O)[nH]nc1C1CC1 ZINC000065462992 343785273 /nfs/dbraw/zinc/78/52/73/343785273.db2.gz FSMBTBWIQOWKPV-LBPRGKRZSA-N 0 0 243.310 2.448 50 0 BEAARN Cc1cc(C)cc(NC(=O)c2ccc(=O)[nH]n2)c1 ZINC000000543859 346994864 /nfs/dbraw/zinc/99/48/64/346994864.db2.gz YPMSTWXFQHTFTR-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN CC(C)CC1=NO[C@](O)(C(F)(F)F)C1 ZINC000000547234 346998082 /nfs/dbraw/zinc/99/80/82/346998082.db2.gz DNFRNBVJXASVNP-ZETCQYMHSA-N 0 0 211.183 2.060 50 0 BEAARN Cc1ccc(CNC(=O)c2cnn(C)c2C)s1 ZINC000040541710 178600003 /nfs/dbraw/zinc/60/00/03/178600003.db2.gz UNFDCBXMMMMSSM-UHFFFAOYSA-N 0 0 249.339 2.028 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC000066338917 343866841 /nfs/dbraw/zinc/86/68/41/343866841.db2.gz SGPWUVURFSJYQO-UWVGGRQHSA-N 0 0 239.315 2.223 50 0 BEAARN Cc1ccccc1C1=CCN(C(N)=O)CC1 ZINC000141578650 343888040 /nfs/dbraw/zinc/88/80/40/343888040.db2.gz JLTKVAQRAQRQHX-UHFFFAOYSA-N 0 0 216.284 2.163 50 0 BEAARN C[C@@H]1CSC(SCCCC(=O)N(C)C)=N1 ZINC000188136782 343891828 /nfs/dbraw/zinc/89/18/28/343891828.db2.gz HOHKTRWTFKTVGJ-MRVPVSSYSA-N 0 0 246.401 2.079 50 0 BEAARN CCc1cc2c(nc(SC)n(C)c2=O)s1 ZINC000040456151 343957500 /nfs/dbraw/zinc/95/75/00/343957500.db2.gz SUFQJMYVSKLPFN-UHFFFAOYSA-N 0 0 240.353 2.279 50 0 BEAARN CC(C)CNC(=O)c1cccc(N(C)C)c1 ZINC000000060781 344129894 /nfs/dbraw/zinc/12/98/94/344129894.db2.gz ISRLXXLSWCTLII-UHFFFAOYSA-N 0 0 220.316 2.138 50 0 BEAARN O=C1C=C(N2CCCC2)C2(CCCCC2)O1 ZINC000000061996 344132553 /nfs/dbraw/zinc/13/25/53/344132553.db2.gz RRZNARLKPYGZJK-UHFFFAOYSA-N 0 0 221.300 2.226 50 0 BEAARN CCOc1cc(/C=C/[N+](=O)[O-])ccc1O ZINC000000064118 344135696 /nfs/dbraw/zinc/13/56/96/344135696.db2.gz GAJIQLKTZKVZAJ-AATRIKPKSA-N 0 0 209.201 2.038 50 0 biogenic BEAARN COC(C)(C)c1cn(Cc2ccccc2F)nn1 ZINC000585134138 344147579 /nfs/dbraw/zinc/14/75/79/344147579.db2.gz FTZSDLASBKAJON-UHFFFAOYSA-N 0 0 249.289 2.347 50 0 BEAARN Nc1cc(F)c(F)c(Br)c1F ZINC000584906893 344150153 /nfs/dbraw/zinc/15/01/53/344150153.db2.gz OYIVAXNGJISXFW-UHFFFAOYSA-N 0 0 225.995 2.449 50 0 BEAARN Oc1csc(Nc2cc(Cl)ccc2O)n1 ZINC000004745873 344156460 /nfs/dbraw/zinc/15/64/60/344156460.db2.gz CVYBDIPWJPFHIH-UHFFFAOYSA-N 0 0 242.687 2.087 50 0 BEAARN Cc1[nH]c(I)c(C)c1C=O ZINC000000085085 344274515 /nfs/dbraw/zinc/27/45/15/344274515.db2.gz KHWDORPYKLTEGJ-UHFFFAOYSA-N 0 0 249.051 2.049 50 0 BEAARN CC[C@@H]1CN(c2ncccc2Cl)CCO1 ZINC000088700216 344241528 /nfs/dbraw/zinc/24/15/28/344241528.db2.gz XYXQLBSLORLXMX-SECBINFHSA-N 0 0 226.707 2.350 50 0 BEAARN CCc1cnc(N(C)CC2(CO)CCCC2)nc1 ZINC000095364011 344334791 /nfs/dbraw/zinc/33/47/91/344334791.db2.gz UOCPNYDMWWFMFC-UHFFFAOYSA-N 0 0 249.358 2.028 50 0 BEAARN Cc1ccc(Cl)cc1NS(C)(=O)=O ZINC000000030312 178664214 /nfs/dbraw/zinc/66/42/14/178664214.db2.gz CGOOIJGAUZIHTI-UHFFFAOYSA-N 0 0 219.693 2.020 50 0 BEAARN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H]2O)CC(C)(C)C1 ZINC000425050341 192071921 /nfs/dbraw/zinc/07/19/21/192071921.db2.gz NQSXMJSMRBSUIJ-DDHJBXDOSA-N 0 0 239.359 2.088 50 0 BEAARN Cc1ccnc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000107447158 344483076 /nfs/dbraw/zinc/48/30/76/344483076.db2.gz TVFSDJFFWCMYQL-GHMZBOCLSA-N 0 0 244.294 2.070 50 0 BEAARN Cc1ccc(CNC(=O)N2CCCC2)s1 ZINC000045679539 344574695 /nfs/dbraw/zinc/57/46/95/344574695.db2.gz IRHUOTMQZBCYHN-UHFFFAOYSA-N 0 0 224.329 2.362 50 0 BEAARN Cc1ccc(F)c(NC(=O)[C@H]2CCCO2)c1 ZINC000012988002 178675025 /nfs/dbraw/zinc/67/50/25/178675025.db2.gz POVFIXLYQUQTQV-LLVKDONJSA-N 0 0 223.247 2.252 50 0 BEAARN O=C(Oc1cccnc1)c1ccc(F)cc1 ZINC000000128758 344560207 /nfs/dbraw/zinc/56/02/07/344560207.db2.gz TWUPTGJQENPONL-UHFFFAOYSA-N 0 0 217.199 2.440 50 0 BEAARN CCCc1c(O)c(C(C)=O)cc(C(C)=O)c1O ZINC000000157817 344577481 /nfs/dbraw/zinc/57/74/81/344577481.db2.gz CDZGGLGTYSVPPX-UHFFFAOYSA-N 0 0 236.267 2.456 50 0 BEAARN COc1cc(N)c2nccc(C)c2c1OC ZINC000000269197 344668912 /nfs/dbraw/zinc/66/89/12/344668912.db2.gz TWQJNRDMZJVLMJ-UHFFFAOYSA-N 0 0 218.256 2.143 50 0 BEAARN O=Cc1ccc(COc2ccccn2)cc1 ZINC000113992000 344682368 /nfs/dbraw/zinc/68/23/68/344682368.db2.gz VINQGBDHZQAKTL-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN CCCn1nccc1-c1sc(NC)nc1C ZINC000426550940 344751490 /nfs/dbraw/zinc/75/14/90/344751490.db2.gz AHGDVAFCZPMOSF-UHFFFAOYSA-N 0 0 236.344 2.189 50 0 BEAARN Cc1ccc(N2C(=N)SCC2=O)c(C)c1 ZINC000006189540 178711771 /nfs/dbraw/zinc/71/17/71/178711771.db2.gz QPRRYHNKLCPFIM-UHFFFAOYSA-N 0 0 220.297 2.318 50 0 BEAARN Cc1ccc(NC(=O)c2ccc(N)cc2)c(N)c1 ZINC000000973338 178752236 /nfs/dbraw/zinc/75/22/36/178752236.db2.gz NYBSPKHLPLIOTP-UHFFFAOYSA-N 0 0 241.294 2.412 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000169414132 345016980 /nfs/dbraw/zinc/01/69/80/345016980.db2.gz GCJUZGHULRVKGS-PHDIDXHHSA-N 0 0 225.210 2.462 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C(F)(F)F ZINC000169414121 345017101 /nfs/dbraw/zinc/01/71/01/345017101.db2.gz GCJUZGHULRVKGS-WDSKDSINSA-N 0 0 225.210 2.462 50 0 BEAARN CCOC(=O)c1cc(C(F)(F)F)cnc1OC ZINC000260661653 345317740 /nfs/dbraw/zinc/31/77/40/345317740.db2.gz HOTKOJWKPIKHEU-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN C[C@H]1CCOCCN1c1nc2ccccc2o1 ZINC000089269419 345552718 /nfs/dbraw/zinc/55/27/18/345552718.db2.gz PQGRFCHVQMZGOE-JTQLQIEISA-N 0 0 232.283 2.443 50 0 BEAARN CC(C)CC[C@H](N)C(=O)OC(C)(C)C ZINC000136837203 345554774 /nfs/dbraw/zinc/55/47/74/345554774.db2.gz HOOQNKXHLQRRGH-VIFPVBQESA-N 0 0 201.310 2.092 50 0 BEAARN Nc1nc(Cl)cc(N2CCC[C@H]2C2CC2)n1 ZINC000115843651 345677472 /nfs/dbraw/zinc/67/74/72/345677472.db2.gz BUJFHGVTIFGUIZ-QMMMGPOBSA-N 0 0 238.722 2.091 50 0 BEAARN C[C@H]1CN(C(=O)Nc2cccnc2)C[C@H]1C ZINC000095403831 345685928 /nfs/dbraw/zinc/68/59/28/345685928.db2.gz QTDBFWOHFVEURP-AOOOYVTPSA-N 0 0 219.288 2.201 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2cccnc2)C[C@H]1C ZINC000095403833 345686323 /nfs/dbraw/zinc/68/63/23/345686323.db2.gz QTDBFWOHFVEURP-NXEZZACHSA-N 0 0 219.288 2.201 50 0 BEAARN CC1=CCN(C(=O)NCc2ccco2)CC1 ZINC000095974964 345686679 /nfs/dbraw/zinc/68/66/79/345686679.db2.gz NXVJNIADOZEJIB-UHFFFAOYSA-N 0 0 220.272 2.141 50 0 BEAARN O=C1C[C@@H](c2ccccc2)N=C2SCCN21 ZINC000033884721 345786131 /nfs/dbraw/zinc/78/61/31/345786131.db2.gz UXZDBCUMONUNIE-JTQLQIEISA-N 0 0 232.308 2.063 50 0 BEAARN CCCc1sc2[nH]cnc(=NN)c2c1C ZINC000000303282 345826420 /nfs/dbraw/zinc/82/64/20/345826420.db2.gz VGOCTLCWPUURNW-UHFFFAOYSA-N 0 0 222.317 2.238 50 0 BEAARN CCOC(=O)C[C@H](C)c1ccc(CO)cc1 ZINC000169074725 345832228 /nfs/dbraw/zinc/83/22/28/345832228.db2.gz IJEWCVXALGUDKQ-JTQLQIEISA-N 0 0 222.284 2.236 50 0 BEAARN CC(C)(C(=O)N1CCC12CCC2)C(F)F ZINC000335327965 535013230 /nfs/dbraw/zinc/01/32/30/535013230.db2.gz LVIHFMNXZUCCGM-UHFFFAOYSA-N 0 0 217.259 2.433 50 0 BEAARN CCc1nc([C@@H](C)NC(=O)C2CC2)cs1 ZINC000083830246 345920136 /nfs/dbraw/zinc/92/01/36/345920136.db2.gz SWOVKRXMAWXGQD-SSDOTTSWSA-N 0 0 224.329 2.293 50 0 BEAARN C[C@H]1CCCCN1C(=O)NO[C@H]1CCCCO1 ZINC000166917668 345954110 /nfs/dbraw/zinc/95/41/10/345954110.db2.gz BYVAZLWJPPJEBV-QWRGUYRKSA-N 0 0 242.319 2.029 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1cccc2c[nH]nc21 ZINC000190702807 345981542 /nfs/dbraw/zinc/98/15/42/345981542.db2.gz GPSLSRJCOOZFDN-SECBINFHSA-N 0 0 248.282 2.145 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1cc(Cl)cn1C ZINC000190703950 345981781 /nfs/dbraw/zinc/98/17/81/345981781.db2.gz OSYSKNLSRPBYNE-MRVPVSSYSA-N 0 0 245.706 2.260 50 0 BEAARN CCOC[C@H](C)OC(=O)c1cc(Cl)cn1C ZINC000190768109 345983971 /nfs/dbraw/zinc/98/39/71/345983971.db2.gz OSYSKNLSRPBYNE-QMMMGPOBSA-N 0 0 245.706 2.260 50 0 BEAARN CCOC[C@H](C)OC(=O)c1cccc(F)c1 ZINC000190787674 345985506 /nfs/dbraw/zinc/98/55/06/345985506.db2.gz PEENUBPVOIGVFX-VIFPVBQESA-N 0 0 226.247 2.408 50 0 BEAARN Cc1ccc2c(n1)sc1c2nc(C)oc1=O ZINC000000497647 178967706 /nfs/dbraw/zinc/96/77/06/178967706.db2.gz MTTNKXJRVSBOJZ-UHFFFAOYSA-N 0 0 232.264 2.415 50 0 BEAARN NC(=O)c1cc(Cl)c(Cl)cc1F ZINC000147896554 346030965 /nfs/dbraw/zinc/03/09/65/346030965.db2.gz CCDBUUVHAFLKJF-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN Cc1ccc(C2=NC(=O)C(C)(C)O2)cc1 ZINC000005416088 346214672 /nfs/dbraw/zinc/21/46/72/346214672.db2.gz UULPSDFAELQXSH-UHFFFAOYSA-N 0 0 203.241 2.077 50 0 BEAARN Cc1cccc(/C=C2/SC(=N)NC2=O)c1 ZINC000004953808 179002623 /nfs/dbraw/zinc/00/26/23/179002623.db2.gz FJNDZSHIXSEBLR-RMKNXTFCSA-N 0 0 218.281 2.134 50 0 BEAARN Cc1cnc(C(=O)Nc2cc(F)ccc2C)cn1 ZINC000001367583 346207703 /nfs/dbraw/zinc/20/77/03/346207703.db2.gz ZMSJVPSRADCHNW-UHFFFAOYSA-N 0 0 245.257 2.485 50 0 BEAARN Cn1c2ccccc2c2nc(Cl)nnc21 ZINC000001507395 346210786 /nfs/dbraw/zinc/21/07/86/346210786.db2.gz HPBQYYOVKCKUCZ-UHFFFAOYSA-N 0 0 218.647 2.170 50 0 BEAARN Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)n1 ZINC000032909725 179005408 /nfs/dbraw/zinc/00/54/08/179005408.db2.gz WRIDRECWQBRKKC-SNVBAGLBSA-N 0 0 218.300 2.261 50 0 BEAARN Cc1cccc(C(=O)N2CCCCCC2)n1 ZINC000032909027 179007696 /nfs/dbraw/zinc/00/76/96/179007696.db2.gz WFMOFWHQSMHXON-UHFFFAOYSA-N 0 0 218.300 2.406 50 0 BEAARN Cc1cccc(C(=O)N2CCC[C@@H](C)C2)n1 ZINC000032909064 179008775 /nfs/dbraw/zinc/00/87/75/179008775.db2.gz QFJCMLRCBLNXQE-SNVBAGLBSA-N 0 0 218.300 2.262 50 0 BEAARN Cc1cccc(C(=O)NO[C@@H]2CCCCO2)c1C ZINC000058330420 179019408 /nfs/dbraw/zinc/01/94/08/179019408.db2.gz QUXOXYVOHYRZLD-CYBMUJFWSA-N 0 0 249.310 2.491 50 0 BEAARN Cc1cccc(C)c1C(=O)N[C@H](C)c1ncon1 ZINC000095994430 179031464 /nfs/dbraw/zinc/03/14/64/179031464.db2.gz JONQGUYAKLLOFZ-SNVBAGLBSA-N 0 0 245.282 2.177 50 0 BEAARN Cn1c2cccc3cccc(nc1CO)c32 ZINC000034485031 346296262 /nfs/dbraw/zinc/29/62/62/346296262.db2.gz WOUHOZOHDOBMJU-UHFFFAOYSA-N 0 0 212.252 2.219 50 0 BEAARN Cc1cccc(C)c1C(=O)N1CCCOCC1 ZINC000074725459 179029998 /nfs/dbraw/zinc/02/99/98/179029998.db2.gz VSJXPNOKYQLCQO-UHFFFAOYSA-N 0 0 233.311 2.166 50 0 BEAARN Cc1cccc(C)c1NC(=O)Cn1ccnc1 ZINC000010809222 179041161 /nfs/dbraw/zinc/04/11/61/179041161.db2.gz CIOKYSHWXMIVNE-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN Cc1cccc(CC(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000013320070 179053374 /nfs/dbraw/zinc/05/33/74/179053374.db2.gz MVPYMUWRFGFCQJ-TZMCWYRMSA-N 0 0 247.338 2.221 50 0 BEAARN Cc1cc(C)n2c(nnc2SCC(C)C)n1 ZINC000000114749 346401100 /nfs/dbraw/zinc/40/11/00/346401100.db2.gz SFGRTIZDBHISJX-UHFFFAOYSA-N 0 0 236.344 2.489 50 0 BEAARN CC(C)(C)NNC(=S)Nc1ccc(F)cc1 ZINC000000099623 346401317 /nfs/dbraw/zinc/40/13/17/346401317.db2.gz KKBMLFAAAGUBTC-UHFFFAOYSA-N 0 0 241.335 2.415 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)COC2=O ZINC000000368259 346414874 /nfs/dbraw/zinc/41/48/74/346414874.db2.gz SVESEMFYBGISTR-UHFFFAOYSA-N 0 0 219.240 2.096 50 0 BEAARN Oc1ccccc1[C@H](O)c1ccccc1 ZINC000000453911 346419313 /nfs/dbraw/zinc/41/93/13/346419313.db2.gz XBXPATGJUNPLJA-CYBMUJFWSA-N 0 0 200.237 2.474 50 0 BEAARN Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000020266771 179075836 /nfs/dbraw/zinc/07/58/36/179075836.db2.gz JANXWXFEKJLETQ-ZDUSSCGKSA-N 0 0 233.311 2.292 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000204151327 346446222 /nfs/dbraw/zinc/44/62/22/346446222.db2.gz HPFKVUIIKVASNH-ZJUUUORDSA-N 0 0 227.304 2.032 50 0 BEAARN Cc1cccc(CNC(=O)c2ccncc2)c1 ZINC000012990037 179088100 /nfs/dbraw/zinc/08/81/00/179088100.db2.gz IKVBFPDSGJXZJO-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1cccc(Cl)c1NC(=O)CN(C)C ZINC000000394107 179108057 /nfs/dbraw/zinc/10/80/57/179108057.db2.gz BDIOSQPZOBLOHI-UHFFFAOYSA-N 0 0 226.707 2.149 50 0 BEAARN Cc1cccc(Cl)c1NC(=O)NCCCO ZINC000004578740 179108240 /nfs/dbraw/zinc/10/82/40/179108240.db2.gz YCHGBKVUTJQCRJ-UHFFFAOYSA-N 0 0 242.706 2.152 50 0 BEAARN Nc1ccccc1-n1nc2ccccc2n1 ZINC000002003722 346494227 /nfs/dbraw/zinc/49/42/27/346494227.db2.gz WEZAEJUVUHTITP-UHFFFAOYSA-N 0 0 210.240 2.003 50 0 BEAARN CCOc1cc(C=O)ccc1OC(=O)C(C)C ZINC000000035111 346499641 /nfs/dbraw/zinc/49/96/41/346499641.db2.gz BTCQMCOBMIXUCG-UHFFFAOYSA-N 0 0 236.267 2.459 50 0 endogenous,in-man BEAARN CCCCO[C@@H]1CO[C@H](OCCCC)CO1 ZINC000003121604 346556744 /nfs/dbraw/zinc/55/67/44/346556744.db2.gz PPRPWYOHXJHJRT-RYUDHWBXSA-N 0 0 232.320 2.319 50 0 BEAARN Cc1cccc(I)c1C=O ZINC000096032775 179110305 /nfs/dbraw/zinc/11/03/05/179110305.db2.gz WFQGAVISAINPPF-UHFFFAOYSA-N 0 0 246.047 2.412 50 0 BEAARN Cc1cccc(N(C)C(=O)COC2CCCC2)n1 ZINC000071911360 179112854 /nfs/dbraw/zinc/11/28/54/179112854.db2.gz WGWBXFGINWXVAV-UHFFFAOYSA-N 0 0 248.326 2.312 50 0 BEAARN Cc1cccc(N(C)[C@@H](C)c2cnn(C)c2)n1 ZINC000170604245 179118020 /nfs/dbraw/zinc/11/80/20/179118020.db2.gz GWAUHCLOZYKGAL-NSHDSACASA-N 0 0 230.315 2.321 50 0 BEAARN Cc1cccc(N2C(=O)c3cccnc3C2=O)c1 ZINC000000092290 179121847 /nfs/dbraw/zinc/12/18/47/179121847.db2.gz FDTNEQNESGVVHH-UHFFFAOYSA-N 0 0 238.246 2.191 50 0 BEAARN Cn1c(Cl)cnc1[C@@H](O)c1ccccc1 ZINC000004399976 346598519 /nfs/dbraw/zinc/59/85/19/346598519.db2.gz SLAACMWJSPJIGH-JTQLQIEISA-N 0 0 222.675 2.155 50 0 BEAARN Cc1cccc(NC(=O)C(=O)c2ccc[nH]2)c1C ZINC000065083578 179124960 /nfs/dbraw/zinc/12/49/60/179124960.db2.gz WSHMMAIEQFSUSQ-UHFFFAOYSA-N 0 0 242.278 2.453 50 0 BEAARN Cc1cccc(NC(=O)NCCc2c[nH]cn2)c1 ZINC000009875811 179134471 /nfs/dbraw/zinc/13/44/71/179134471.db2.gz KVVRSBVHGXXVNB-UHFFFAOYSA-N 0 0 244.298 2.082 50 0 BEAARN Cc1cccc(NC(=O)NC[C@@H]2CCCO2)c1 ZINC000009254086 179134821 /nfs/dbraw/zinc/13/48/21/179134821.db2.gz XZZBYHHMCAUWCG-LBPRGKRZSA-N 0 0 234.299 2.296 50 0 BEAARN Cc1cccc(NC(=O)N[C@@H](C)C(F)(F)F)n1 ZINC000289809577 179135143 /nfs/dbraw/zinc/13/51/43/179135143.db2.gz RDMUVWLJXWSIGJ-ZETCQYMHSA-N 0 0 247.220 2.462 50 0 BEAARN Cc1cccc(NC(=O)C[C@@H]2C[C@@H](C)OC2=O)c1 ZINC000000207980 179129501 /nfs/dbraw/zinc/12/95/01/179129501.db2.gz FCIGZCIFYFVMOK-MNOVXSKESA-N 0 0 247.294 2.275 50 0 BEAARN Cc1cccc(NC(=O)N2CCC[C@@H](CO)C2)c1 ZINC000008937040 179132410 /nfs/dbraw/zinc/13/24/10/179132410.db2.gz IGOAIYPIYCFKHO-GFCCVEGCSA-N 0 0 248.326 2.231 50 0 BEAARN Cc1ccc(Nc2ncccc2C(N)=O)cc1 ZINC000000481313 346687359 /nfs/dbraw/zinc/68/73/59/346687359.db2.gz QSBJMVSZUKBBIL-UHFFFAOYSA-N 0 0 227.267 2.233 50 0 BEAARN Cc1cccc(NC[C@@H](O)C(C)(C)C)n1 ZINC000097096689 179146666 /nfs/dbraw/zinc/14/66/66/179146666.db2.gz QEMIHYCQTMSICH-SNVBAGLBSA-N 0 0 208.305 2.209 50 0 BEAARN Cc1cccc(NCc2ccccc2CO)n1 ZINC000097096611 179150100 /nfs/dbraw/zinc/15/01/00/179150100.db2.gz ALNKSJFCTVIOBN-UHFFFAOYSA-N 0 0 228.295 2.494 50 0 BEAARN Cc1cccc(NCc2nccn2C)c1F ZINC000132529329 179152399 /nfs/dbraw/zinc/15/23/99/179152399.db2.gz MMHYAVQABZGWHR-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN Cc1cccc(O)c1NC(=O)Cc1cccnc1 ZINC000095995398 179161193 /nfs/dbraw/zinc/16/11/93/179161193.db2.gz JHSLHKPTEQDAKM-UHFFFAOYSA-N 0 0 242.278 2.277 50 0 BEAARN Cc1cccc(OCC(=O)Nc2ccccn2)c1 ZINC000012527261 179163573 /nfs/dbraw/zinc/16/35/73/179163573.db2.gz WFHWDPOZAJNYOR-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN Cc1cccc(OCc2nccc(N)n2)c1F ZINC000097053659 179173805 /nfs/dbraw/zinc/17/38/05/179173805.db2.gz YAYLMTBZFRCHPW-UHFFFAOYSA-N 0 0 233.246 2.085 50 0 BEAARN Cc1cccc(Sc2nccn(C)c2=O)c1 ZINC000089677958 179176522 /nfs/dbraw/zinc/17/65/22/179176522.db2.gz XPPRUCVVNRAWJU-UHFFFAOYSA-N 0 0 232.308 2.240 50 0 BEAARN Cc1cccc(S[C@H]2CCN(C)C2=O)c1 ZINC000070040135 179176769 /nfs/dbraw/zinc/17/67/69/179176769.db2.gz BQAKUSAVUGZTGA-NSHDSACASA-N 0 0 221.325 2.318 50 0 BEAARN Cc1ccc(NC(=O)Cn2ccnc2)cc1Cl ZINC000010809237 347204011 /nfs/dbraw/zinc/20/40/11/347204011.db2.gz ABIUJFJSWMSPCX-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN Cc1cccc2c1nc1c(c2C(N)=O)CCC1 ZINC000064553337 179209260 /nfs/dbraw/zinc/20/92/60/179209260.db2.gz PUVUKHZXXQDSQE-UHFFFAOYSA-N 0 0 226.279 2.131 50 0 BEAARN Cc1cccc2c(CCn3cnnc3)c[nH]c21 ZINC000067642769 179210241 /nfs/dbraw/zinc/21/02/41/179210241.db2.gz PBARHNDKHCMXLF-UHFFFAOYSA-N 0 0 226.283 2.311 50 0 BEAARN Cc1cccc2c3n[nH]c(=S)nc3[nH]c21 ZINC000018210663 179225694 /nfs/dbraw/zinc/22/56/94/179225694.db2.gz LUORUVIRDVFHRU-UHFFFAOYSA-N 0 0 216.269 2.103 50 0 BEAARN Cc1cccc2c1N[C@@H](c1ccccn1)NC2=O ZINC000028923418 179220337 /nfs/dbraw/zinc/22/03/37/179220337.db2.gz YKYCMVFBXDKOQT-CYBMUJFWSA-N 0 0 239.278 2.244 50 0 BEAARN Cc1cccc2nc(C=O)c(Br)n21 ZINC000071864018 179230446 /nfs/dbraw/zinc/23/04/46/179230446.db2.gz RDLLEKDOCVQUED-UHFFFAOYSA-N 0 0 239.072 2.218 50 0 BEAARN CCCC(=O)[C@H](CC1CC1)C(=O)OCC ZINC000002381229 168571490 /nfs/dbraw/zinc/57/14/90/168571490.db2.gz FIQVDAZIWQJRHW-JTQLQIEISA-N 0 0 212.289 2.335 50 0 BEAARN Cc1cccc2nc(C(=O)NCC(C)C)cn21 ZINC000032819392 179228163 /nfs/dbraw/zinc/22/81/63/179228163.db2.gz BKPPPAJOOFDXAA-UHFFFAOYSA-N 0 0 231.299 2.029 50 0 BEAARN Cc1ccccc1C(=O)/N=c1\sccn1C ZINC000100269186 179245817 /nfs/dbraw/zinc/24/58/17/179245817.db2.gz WBNLCFOVCGUFTD-SEYXRHQNSA-N 0 0 232.308 2.136 50 0 BEAARN Cc1cccc(-c2ccnc3ncnn32)c1 ZINC000002785189 347513491 /nfs/dbraw/zinc/51/34/91/347513491.db2.gz VTFNKCMICSKZDP-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN C[C@H](Nc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000020307773 347517297 /nfs/dbraw/zinc/51/72/97/347517297.db2.gz XQHRYMZFIFTAFR-VIFPVBQESA-N 0 0 220.316 2.270 50 0 BEAARN Cc1ccccc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000016580355 179251530 /nfs/dbraw/zinc/25/15/30/179251530.db2.gz SIJYYDVQRNQKBK-WCQYABFASA-N 0 0 233.311 2.292 50 0 BEAARN COC[C@H](C)Nc1nc(C)c(C(C)=O)s1 ZINC000003325113 347571082 /nfs/dbraw/zinc/57/10/82/347571082.db2.gz XDQGEILYHRINOU-LURJTMIESA-N 0 0 228.317 2.101 50 0 BEAARN Cc1ccccc1CCC[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237723484 179262409 /nfs/dbraw/zinc/26/24/09/179262409.db2.gz HGLPAOZGVCQJHQ-CQSZACIVSA-N 0 0 247.338 2.477 50 0 BEAARN Cc1ccccc1CCCn1ccnn1 ZINC000128041334 179264255 /nfs/dbraw/zinc/26/42/55/179264255.db2.gz BLUUEUNZNXIRSH-UHFFFAOYSA-N 0 0 201.273 2.219 50 0 BEAARN Cc1ccccc1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000013322953 179257353 /nfs/dbraw/zinc/25/73/53/179257353.db2.gz AVBJARZCHSJAGS-STQMWFEESA-N 0 0 247.338 2.173 50 0 BEAARN Cc1ccccc1CN1c2ccnn2CCC1=O ZINC000020864540 179271869 /nfs/dbraw/zinc/27/18/69/179271869.db2.gz GLARRYBGLPGDHA-UHFFFAOYSA-N 0 0 241.294 2.128 50 0 BEAARN Cc1ccccc1CN1C(=O)N[C@@H](C(C)C)C1=O ZINC000025822333 179272215 /nfs/dbraw/zinc/27/22/15/179272215.db2.gz HUDNBJYHKWXCRQ-LBPRGKRZSA-N 0 0 246.310 2.071 50 0 BEAARN Cc1occc1C(=O)NCC(F)(F)C(F)F ZINC000195580121 347642427 /nfs/dbraw/zinc/64/24/27/347642427.db2.gz UZIAHAYDBDWIJH-UHFFFAOYSA-N 0 0 239.168 2.218 50 0 BEAARN C/C=C/C=C/COC(=O)c1ccc2nncn2c1 ZINC000195577859 347648675 /nfs/dbraw/zinc/64/86/75/347648675.db2.gz QMPDAZVTSXIJGF-MQQKCMAXSA-N 0 0 243.266 2.018 50 0 BEAARN Cc1ccccc1CNC(=O)C1CCC1 ZINC000032678660 179278847 /nfs/dbraw/zinc/27/88/47/179278847.db2.gz OZROZYLRDQKQQH-UHFFFAOYSA-N 0 0 203.285 2.411 50 0 BEAARN Cc1nnc2sc(Cc3ccccc3C)nn12 ZINC000000385118 179293736 /nfs/dbraw/zinc/29/37/36/179293736.db2.gz JMTLBQKYOMJLIJ-UHFFFAOYSA-N 0 0 244.323 2.393 50 0 BEAARN Cc1nn(Cc2ccccc2C)c(C)c1N ZINC000001002834 179294947 /nfs/dbraw/zinc/29/49/47/179294947.db2.gz RIOFETMIRODWFS-UHFFFAOYSA-N 0 0 215.300 2.439 50 0 BEAARN Cc1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000017975720 179296282 /nfs/dbraw/zinc/29/62/82/179296282.db2.gz QLFMLNSQOPZXGE-VXGBXAGGSA-N 0 0 241.290 2.451 50 0 BEAARN Cc1ccccc1NC(=O)NCCn1ccnc1 ZINC000040525331 179300996 /nfs/dbraw/zinc/30/09/96/179300996.db2.gz GDXOQNIMZAEBQX-UHFFFAOYSA-N 0 0 244.298 2.013 50 0 BEAARN Cc1nnsc1C(=O)Nc1ccccc1C ZINC000004584515 179303670 /nfs/dbraw/zinc/30/36/70/179303670.db2.gz NTMXOGPLFDVHPG-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ccccc1OCC(=O)Nc1ccncc1 ZINC000000826214 179309094 /nfs/dbraw/zinc/30/90/94/179309094.db2.gz RGENIWFEBVGBLW-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN Cc1ccccc1OCCCn1cncn1 ZINC000097335950 179311285 /nfs/dbraw/zinc/31/12/85/179311285.db2.gz BWQAZTNVVVOCNN-UHFFFAOYSA-N 0 0 217.272 2.056 50 0 BEAARN Cc1cnc(C)c(NCC[C@H]2CCCOC2)n1 ZINC000528073281 323172851 /nfs/dbraw/zinc/17/28/51/323172851.db2.gz SXXGXDNOCXMLQA-GFCCVEGCSA-N 0 0 235.331 2.322 50 0 BEAARN Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)[O-])C1 ZINC000237577208 179348789 /nfs/dbraw/zinc/34/87/89/179348789.db2.gz QZCVSSILRVNRLG-RYUDHWBXSA-N 0 0 233.311 2.257 50 0 BEAARN Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)[O-])C1 ZINC000237359805 179349110 /nfs/dbraw/zinc/34/91/10/179349110.db2.gz QZCVSSILRVNRLG-NEPJUHHUSA-N 0 0 233.311 2.257 50 0 BEAARN Cc1ccccc1[C@@H]1Nc2ncccc2C(=O)N1 ZINC000065606876 179350857 /nfs/dbraw/zinc/35/08/57/179350857.db2.gz CLDKDMSNTHNRHP-CYBMUJFWSA-N 0 0 239.278 2.244 50 0 BEAARN COC(=O)NCCCCc1ccccc1 ZINC000002773454 349982897 /nfs/dbraw/zinc/98/28/97/349982897.db2.gz YDSOHTVZEZJZGL-UHFFFAOYSA-N 0 0 207.273 2.365 50 0 BEAARN Cc1cccnc1NC(=O)c1cscn1 ZINC000062658468 179393539 /nfs/dbraw/zinc/39/35/39/179393539.db2.gz JDHNEGONDGXLIJ-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@@]1(C)C(C)(C)C ZINC000669382871 538004451 /nfs/dbraw/zinc/00/44/51/538004451.db2.gz FJSXTLALELLQNL-QWRGUYRKSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1ccsc1[C@H](O)CNC(=O)C1CCC1 ZINC000075155192 179556350 /nfs/dbraw/zinc/55/63/50/179556350.db2.gz TYGWNJTYSATFNT-SNVBAGLBSA-N 0 0 239.340 2.006 50 0 BEAARN Cc1cnc(-c2ccccc2CO)nc1N(C)C ZINC000097713568 179569612 /nfs/dbraw/zinc/56/96/12/179569612.db2.gz ZYHBNRCPDWFGAM-UHFFFAOYSA-N 0 0 243.310 2.010 50 0 BEAARN Cc1cnc(NC(=O)c2ccccn2)s1 ZINC000003347009 179630483 /nfs/dbraw/zinc/63/04/83/179630483.db2.gz FAVXGFTXPKPRPJ-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@]1(C)CC(C)C ZINC000669383573 538010808 /nfs/dbraw/zinc/01/08/08/538010808.db2.gz JNWNBFIQCBSBMB-GHMZBOCLSA-N 0 0 200.278 2.143 50 0 BEAARN O=C(NCCn1cccc1)N1CCCCCCC1 ZINC000084457546 348813462 /nfs/dbraw/zinc/81/34/62/348813462.db2.gz JLHVWBAHDAWIQI-UHFFFAOYSA-N 0 0 249.358 2.464 50 0 BEAARN COc1cc(Br)ccc1O ZINC000000158195 187407745 /nfs/dbraw/zinc/40/77/45/187407745.db2.gz WHSIIJQOEGXWSN-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 in-vitro BEAARN COc1ccc(Nc2ncnc3n[nH]cc32)cc1 ZINC000001826570 187409831 /nfs/dbraw/zinc/40/98/31/187409831.db2.gz HTFORVODJOZKSN-UHFFFAOYSA-N 0 0 241.254 2.105 50 0 BEAARN CC(=O)c1c(C)nc2ccc(Cl)cn21 ZINC000004003144 187411298 /nfs/dbraw/zinc/41/12/98/187411298.db2.gz AIEXQAYFGSKOLG-UHFFFAOYSA-N 0 0 208.648 2.499 50 0 BEAARN CC(C)=CC(=O)Nc1cccnc1-n1cccn1 ZINC000023177130 187420306 /nfs/dbraw/zinc/42/03/06/187420306.db2.gz ZUVZNZPLKIOBSZ-UHFFFAOYSA-N 0 0 242.282 2.172 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000040521061 187428068 /nfs/dbraw/zinc/42/80/68/187428068.db2.gz PLLGXJQJNLAPSY-NWDGAFQWSA-N 0 0 227.348 2.449 50 0 BEAARN CN(C)c1cc(Br)ccc1C=O ZINC000036670378 187422652 /nfs/dbraw/zinc/42/26/52/187422652.db2.gz ZHCFWLVUTGYLRF-UHFFFAOYSA-N 0 0 228.089 2.328 50 0 BEAARN CCOC(=O)CCC(=O)Cc1ccccc1 ZINC000043369207 187432480 /nfs/dbraw/zinc/43/24/80/187432480.db2.gz ORGPSJHOOQCAES-UHFFFAOYSA-N 0 0 220.268 2.142 50 0 BEAARN Cc1csc(-c2nc3ccccc3[nH]c2=O)n1 ZINC000040556412 179760023 /nfs/dbraw/zinc/76/00/23/179760023.db2.gz LQNIFAGRKVHBOV-UHFFFAOYSA-N 0 0 243.291 2.355 50 0 BEAARN Cc1cs/c(=N\c2ccccc2)n1CCO ZINC000013878686 179761030 /nfs/dbraw/zinc/76/10/30/179761030.db2.gz LOXFKQXUZQDMGR-SEYXRHQNSA-N 0 0 234.324 2.083 50 0 BEAARN Cc1csc(NC(=O)Nc2n[nH]cc2C)n1 ZINC000170612346 179786374 /nfs/dbraw/zinc/78/63/74/179786374.db2.gz BFHFAMVAXSPYRB-UHFFFAOYSA-N 0 0 237.288 2.127 50 0 BEAARN Cc1csc(SCC(C)(C)O)n1 ZINC000037697292 179790691 /nfs/dbraw/zinc/79/06/91/179790691.db2.gz FYDUVSWGTURBEN-UHFFFAOYSA-N 0 0 203.332 2.315 50 0 BEAARN Cc1csc(S[C@@H]2CCCCNC2=O)n1 ZINC000040025135 179791415 /nfs/dbraw/zinc/79/14/15/179791415.db2.gz XABIIRSDCCVYHB-MRVPVSSYSA-N 0 0 242.369 2.212 50 0 BEAARN COc1ccc(C(=O)c2ccccn2)cc1OC ZINC000006018574 190976661 /nfs/dbraw/zinc/97/66/61/190976661.db2.gz CUTYZBYXXYWWHB-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](C)C1 ZINC000074684188 179819932 /nfs/dbraw/zinc/81/99/32/179819932.db2.gz GTVMJMTYAKHXRT-JTQLQIEISA-N 0 0 249.358 2.218 50 0 BEAARN C[C@H](CC(=O)NCc1ccccc1)n1cccn1 ZINC000020991024 349262630 /nfs/dbraw/zinc/26/26/30/349262630.db2.gz DZEDGXMAEYHHQH-GFCCVEGCSA-N 0 0 243.310 2.151 50 0 BEAARN Cc1nc(NCc2cccc(Cl)c2)n[nH]1 ZINC000035684093 179836902 /nfs/dbraw/zinc/83/69/02/179836902.db2.gz LJYHHKUVCWNHNB-UHFFFAOYSA-N 0 0 222.679 2.379 50 0 BEAARN COc1ccc(C(=O)c2cccc(OC)n2)cc1 ZINC000045028715 187434576 /nfs/dbraw/zinc/43/45/76/187434576.db2.gz KIAQSIHZBMCQPF-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN C[Si](C)(C)c1cccc(Br)n1 ZINC000169975248 490260886 /nfs/dbraw/zinc/26/08/86/490260886.db2.gz JHVGQGZQAUEZJZ-UHFFFAOYSA-N 0 0 230.181 2.389 50 0 BEAARN Cc1ccc(NC(=O)Cn2cccc2C=O)cc1 ZINC000033508474 190985284 /nfs/dbraw/zinc/98/52/84/190985284.db2.gz HLUTYEDDFNHMEO-UHFFFAOYSA-N 0 0 242.278 2.248 50 0 BEAARN CCC[C@H](Nc1cc(C#N)cnn1)C1CCC1 ZINC000396969772 350020145 /nfs/dbraw/zinc/02/01/45/350020145.db2.gz ZCOLULLFNNBNCZ-LBPRGKRZSA-N 0 0 230.315 2.151 50 0 BEAARN CC(C)c1ccccc1NC(=O)NCCCO ZINC000065625870 191001701 /nfs/dbraw/zinc/00/17/01/191001701.db2.gz FMRZOWOIDPMLMR-UHFFFAOYSA-N 0 0 236.315 2.314 50 0 BEAARN Cc1cc2n[nH]nc2c(Br)c1 ZINC000073633906 191005350 /nfs/dbraw/zinc/00/53/50/191005350.db2.gz UQVLOQMHCFPRJR-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1c(F)c(N)ccc1Br ZINC000075926535 191006316 /nfs/dbraw/zinc/00/63/16/191006316.db2.gz LVCXMVREXQEQFX-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1nc(Cc2noc(-c3ccccc3)n2)no1 ZINC000075609921 179985824 /nfs/dbraw/zinc/98/58/24/179985824.db2.gz QKXXQRAFMCIRHQ-UHFFFAOYSA-N 0 0 242.238 2.019 50 0 BEAARN CC1(C)CN(C(=O)C2=CCCCO2)CCS1 ZINC000083005948 538048956 /nfs/dbraw/zinc/04/89/56/538048956.db2.gz JDTNEOZQPDQEKA-UHFFFAOYSA-N 0 0 241.356 2.035 50 0 BEAARN Cc1[nH]c(=S)ccc1Br ZINC000086032240 180028492 /nfs/dbraw/zinc/02/84/92/180028492.db2.gz LZQAXQVDDCMZNL-UHFFFAOYSA-N 0 0 204.092 2.441 50 0 BEAARN Cc1nc(N2CCCC2)[nH]c(=O)c1CCC(C)C ZINC000018145104 180000916 /nfs/dbraw/zinc/00/09/16/180000916.db2.gz FLPAGOHQZPOJSD-UHFFFAOYSA-N 0 0 249.358 2.267 50 0 BEAARN Cc1nc(N2CCCC2)nc(Cl)c1C ZINC000019090432 180001565 /nfs/dbraw/zinc/00/15/65/180001565.db2.gz IAQXQKOQYBKGGH-UHFFFAOYSA-N 0 0 211.696 2.347 50 0 BEAARN Cc1nc2ncccc2c(N[C@H]2CCSC2)n1 ZINC000095366098 180025687 /nfs/dbraw/zinc/02/56/87/180025687.db2.gz DNMNIVHETWIMOP-VIFPVBQESA-N 0 0 246.339 2.251 50 0 BEAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)C ZINC000032850688 180071031 /nfs/dbraw/zinc/07/10/31/180071031.db2.gz AAPFRUAHWBLJMZ-UHFFFAOYSA-N 0 0 246.314 2.022 50 0 BEAARN Cc1nc2c3ccccc3nc(Cl)n2n1 ZINC000032629228 180073693 /nfs/dbraw/zinc/07/36/93/180073693.db2.gz OTLFXEHWBDUICO-UHFFFAOYSA-N 0 0 218.647 2.239 50 0 BEAARN Cc1ccc(CC[C@@H](C)NC(=O)c2ccn[nH]2)o1 ZINC000390834216 350135125 /nfs/dbraw/zinc/13/51/25/350135125.db2.gz UTLZGTHLEUTRSJ-SECBINFHSA-N 0 0 247.298 2.062 50 0 BEAARN COCCOc1ccc(-c2ccnn2C)cc1 ZINC000426395884 191028372 /nfs/dbraw/zinc/02/83/72/191028372.db2.gz ABPFCZYYWOZETE-UHFFFAOYSA-N 0 0 232.283 2.112 50 0 BEAARN CC(C)CNC(=O)c1cc(F)ccc1F ZINC000023119845 350178621 /nfs/dbraw/zinc/17/86/21/350178621.db2.gz CFXRTIIDZZRUDK-UHFFFAOYSA-N 0 0 213.227 2.351 50 0 BEAARN Cc1ncc(NC(=O)C2CCCCC2)cn1 ZINC000097938496 180166069 /nfs/dbraw/zinc/16/60/69/180166069.db2.gz RZWOMRUSLXDIER-UHFFFAOYSA-N 0 0 219.288 2.304 50 0 BEAARN Cc1ncc([C@@](C)(O)c2ccccc2)c(C)n1 ZINC000006796288 180174035 /nfs/dbraw/zinc/17/40/35/180174035.db2.gz WDTQRIDYGGKBLN-AWEZNQCLSA-N 0 0 228.295 2.349 50 0 BEAARN Cc1nccc(-c2cccc(-n3cnnc3)c2)n1 ZINC000065366187 180179600 /nfs/dbraw/zinc/17/96/00/180179600.db2.gz SXWCNTZMGXXUML-UHFFFAOYSA-N 0 0 237.266 2.033 50 0 BEAARN Cc1ncccc1OCC(=O)N1CCCCCC1 ZINC000097082595 180228467 /nfs/dbraw/zinc/22/84/67/180228467.db2.gz NXEUOPMMWWHFKO-UHFFFAOYSA-N 0 0 248.326 2.171 50 0 BEAARN Cc1ncccc1OCc1ncnn1C(C)(C)C ZINC000282325819 180228545 /nfs/dbraw/zinc/22/85/45/180228545.db2.gz UOEPJLKMBOUYMG-UHFFFAOYSA-N 0 0 246.314 2.316 50 0 BEAARN CCCCC(=O)N[C@H]1CCCc2c1cnn2C ZINC000032828205 168625059 /nfs/dbraw/zinc/62/50/59/168625059.db2.gz SGBDFPRXICNLJX-NSHDSACASA-N 0 0 235.331 2.104 50 0 BEAARN CC(C)=CC(=O)NCCc1ccsc1 ZINC000040509482 187443790 /nfs/dbraw/zinc/44/37/90/187443790.db2.gz JGPVZCVBXBLSBB-UHFFFAOYSA-N 0 0 209.314 2.373 50 0 BEAARN Cc1nccn1C[C@H]1CCCN1c1ccccn1 ZINC000225598590 180269040 /nfs/dbraw/zinc/26/90/40/180269040.db2.gz UAYQKUUKJIVJQE-CYBMUJFWSA-N 0 0 242.326 2.256 50 0 BEAARN Cc1ncnc(N[C@H](C)CCn2cccn2)c1C ZINC000091626396 180291090 /nfs/dbraw/zinc/29/10/90/180291090.db2.gz DRDJICBERYVABC-SNVBAGLBSA-N 0 0 245.330 2.181 50 0 BEAARN Cc1ncsc1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000230307994 180315973 /nfs/dbraw/zinc/31/59/73/180315973.db2.gz GGMHEAGKULWFBM-QWRGUYRKSA-N 0 0 240.372 2.044 50 0 BEAARN Cc1ncsc1C(=O)N[C@@H](C)c1ccncc1 ZINC000044939233 180305060 /nfs/dbraw/zinc/30/50/60/180305060.db2.gz RYYBIJXHSFMXNA-QMMMGPOBSA-N 0 0 247.323 2.338 50 0 BEAARN Cc1ncsc1CCCNC(=O)c1ccc[nH]1 ZINC000223774388 180307486 /nfs/dbraw/zinc/30/74/86/180307486.db2.gz VTSPVDMTGVGVSZ-UHFFFAOYSA-N 0 0 249.339 2.142 50 0 BEAARN Cc1ncsc1C(=O)N[C@H](C)c1ccncc1 ZINC000044939238 180307601 /nfs/dbraw/zinc/30/76/01/180307601.db2.gz RYYBIJXHSFMXNA-MRVPVSSYSA-N 0 0 247.323 2.338 50 0 BEAARN CO[C@@H](C)N1CC[C@@H](Cc2ccccc2)C1=O ZINC000601013362 350329982 /nfs/dbraw/zinc/32/99/82/350329982.db2.gz AZMYJICYHZKRTC-AAEUAGOBSA-N 0 0 233.311 2.070 50 0 BEAARN CCCCC(=O)Nc1ccc2[nH]c(=O)oc2c1 ZINC000009526625 168627565 /nfs/dbraw/zinc/62/75/65/168627565.db2.gz NMWJQUSZQUVHMT-UHFFFAOYSA-N 0 0 234.255 2.250 50 0 BEAARN Cc1nn(-c2cccc(F)c2)cc1C=O ZINC000049668203 180329539 /nfs/dbraw/zinc/32/95/39/180329539.db2.gz KSZPBWLTLICSHJ-UHFFFAOYSA-N 0 0 204.204 2.132 50 0 BEAARN Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1C ZINC000100134613 180330639 /nfs/dbraw/zinc/33/06/39/180330639.db2.gz SVLWTIZUBFTRRR-UHFFFAOYSA-N 0 0 228.255 2.071 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)CC(C)C ZINC000028227836 180342188 /nfs/dbraw/zinc/34/21/88/180342188.db2.gz MIIPUVGYUTUIRE-UHFFFAOYSA-N 0 0 209.293 2.022 50 0 BEAARN Cc1nn(C)c(C)c1OC(=O)c1ccsc1 ZINC000084012299 180347736 /nfs/dbraw/zinc/34/77/36/180347736.db2.gz LMQZOVVSWVMDTI-UHFFFAOYSA-N 0 0 236.296 2.318 50 0 BEAARN Cc1cccc(-c2n[nH]c(C3CC3)n2)c1N ZINC000041058726 350408702 /nfs/dbraw/zinc/40/87/02/350408702.db2.gz VUAIQGWTACGWJN-UHFFFAOYSA-N 0 0 214.272 2.240 50 0 BEAARN CSCc1ccc(C(=O)N(C)C)cc1 ZINC000033026234 350439229 /nfs/dbraw/zinc/43/92/29/350439229.db2.gz QBWQWMVKSRZUBJ-UHFFFAOYSA-N 0 0 209.314 2.251 50 0 BEAARN CC(C)Cc1ccc2c(N)c(C(N)=O)sc2n1 ZINC000000550052 191109126 /nfs/dbraw/zinc/10/91/26/191109126.db2.gz VQBYPOJOOUZIOT-UHFFFAOYSA-N 0 0 249.339 2.176 50 0 BEAARN O=C(c1ccncc1)N1CCCCCC1 ZINC000000855942 350567426 /nfs/dbraw/zinc/56/74/26/350567426.db2.gz KHSDQZIZRUPKHU-UHFFFAOYSA-N 0 0 204.273 2.098 50 0 BEAARN CC(=O)Nc1ccc(C)cc1C(C)(C)O ZINC000230509803 350603795 /nfs/dbraw/zinc/60/37/95/350603795.db2.gz ZCSCVHYBORSPIM-UHFFFAOYSA-N 0 0 207.273 2.181 50 0 BEAARN Cc1nnc(NC(=O)c2cccc(F)c2)s1 ZINC000000434498 180431708 /nfs/dbraw/zinc/43/17/08/180431708.db2.gz QILHKIODHQZGGB-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN Cc1nnc(NC(=O)c2cccs2)s1 ZINC000000116334 180431957 /nfs/dbraw/zinc/43/19/57/180431957.db2.gz VSCDXGDHKSPKNU-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN Cc1cccc(NC(=O)CN(C)CCF)c1C ZINC000076093281 362970501 /nfs/dbraw/zinc/97/05/01/362970501.db2.gz CNOXEHUEVCLPOT-UHFFFAOYSA-N 0 0 238.306 2.143 50 0 BEAARN Cc1noc(C)c1C[C@@H](C)Nc1cnccn1 ZINC000150874094 180476356 /nfs/dbraw/zinc/47/63/56/180476356.db2.gz REBOKDMNGKNVAH-MRVPVSSYSA-N 0 0 232.287 2.125 50 0 BEAARN Cc1noc(COc2c(F)cccc2F)n1 ZINC000336333564 180490441 /nfs/dbraw/zinc/49/04/41/180490441.db2.gz NNWWYSVIFCCOJH-UHFFFAOYSA-N 0 0 226.182 2.235 50 0 BEAARN CC(=O)/N=c1\sc2cc(Cl)ccc2n1C ZINC000100815576 191117498 /nfs/dbraw/zinc/11/74/98/191117498.db2.gz VWVVQZMXHWBJDR-BENRWUELSA-N 0 0 240.715 2.340 50 0 BEAARN CC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000011937800 191124628 /nfs/dbraw/zinc/12/46/28/191124628.db2.gz RAYFZSFXUBRORH-CYBMUJFWSA-N 0 0 218.300 2.109 50 0 BEAARN CSc1oc(-c2ccccc2)nc1C(N)=O ZINC000000972860 350961149 /nfs/dbraw/zinc/96/11/49/350961149.db2.gz GDPWRAFBENRFGG-UHFFFAOYSA-N 0 0 234.280 2.162 50 0 BEAARN Cn1c2ccccc2c2c1CC[C@H](O)C2 ZINC000001008992 350977101 /nfs/dbraw/zinc/97/71/01/350977101.db2.gz HYDDQVSXJYBUSO-VIFPVBQESA-N 0 0 201.269 2.028 50 0 BEAARN C[C@@H]1CCO[C@H](c2ccc3c(c2)OCO3)O1 ZINC000001031421 350990976 /nfs/dbraw/zinc/99/09/76/350990976.db2.gz UHMDSJXMGSTUIG-PELKAZGASA-N 0 0 222.240 2.239 50 0 BEAARN Cc1occc1[S@@](=O)[C@H](C)c1cnccn1 ZINC000189657104 180544921 /nfs/dbraw/zinc/54/49/21/180544921.db2.gz LUPAJHQDXJBRKD-ABKXIKBNSA-N 0 0 236.296 2.247 50 0 BEAARN c1csc(-c2nnc3ccccn32)c1 ZINC000001050997 350995339 /nfs/dbraw/zinc/99/53/39/350995339.db2.gz UGOSYCFERMLZKB-UHFFFAOYSA-N 0 0 201.254 2.458 50 0 BEAARN Nc1ccc(F)cc1C(=O)NCc1ccccc1 ZINC000034959015 351364384 /nfs/dbraw/zinc/36/43/84/351364384.db2.gz SMZUEWRPXQGTOM-UHFFFAOYSA-N 0 0 244.269 2.338 50 0 BEAARN Clc1ncnc2c(Br)c[nH]c21 ZINC000035270079 180603527 /nfs/dbraw/zinc/60/35/27/180603527.db2.gz MSHYYIJDYMVONW-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000004693865 180623389 /nfs/dbraw/zinc/62/33/89/180623389.db2.gz NDRGOILDSGYHFZ-UHFFFAOYSA-N 0 0 225.704 2.424 50 0 BEAARN Cn1cc(C(=O)c2c(F)cccc2F)cc1C=O ZINC000002555741 180635715 /nfs/dbraw/zinc/63/57/15/180635715.db2.gz UTMCVUQNBLGPPZ-UHFFFAOYSA-N 0 0 249.216 2.347 50 0 BEAARN Cn1cc(C=O)c(-c2ccc(F)cc2)n1 ZINC000019093573 180636229 /nfs/dbraw/zinc/63/62/29/180636229.db2.gz FDGWWNFZSAQDAN-UHFFFAOYSA-N 0 0 204.204 2.039 50 0 BEAARN CC(C)Cc1cc(C(=O)OCCCF)n[nH]1 ZINC000096422149 191141855 /nfs/dbraw/zinc/14/18/55/191141855.db2.gz SVWMZIBSZKDPAF-UHFFFAOYSA-N 0 0 228.267 2.125 50 0 BEAARN Cn1cc(Cl)nc1[C@H](O)c1ccccc1 ZINC000000246382 180655580 /nfs/dbraw/zinc/65/55/80/180655580.db2.gz ISCFHACKIFRPJD-SNVBAGLBSA-N 0 0 222.675 2.155 50 0 BEAARN C/C=C(\C)C(=O)Nc1nc2c(s1)COCC2 ZINC000267597099 187508069 /nfs/dbraw/zinc/50/80/69/187508069.db2.gz PFOLTCFTHQUTOJ-XVNBXDOJSA-N 0 0 238.312 2.121 50 0 BEAARN Cc1cc(=O)c2cnn(Cc3ccsc3)c2[nH]1 ZINC000170637942 363098383 /nfs/dbraw/zinc/09/83/83/363098383.db2.gz NHPKTVFYMAOCNW-UHFFFAOYSA-N 0 0 245.307 2.143 50 0 BEAARN C=CC(=O)N([C@@H](C)c1cccnc1)C1CC1 ZINC000328599403 187537606 /nfs/dbraw/zinc/53/76/06/187537606.db2.gz ROQIMVTWHCJIRL-JTQLQIEISA-N 0 0 216.284 2.320 50 0 BEAARN Cn1cc([C@@H]2CCCN2c2ccc(F)cn2)cn1 ZINC000225819574 180667648 /nfs/dbraw/zinc/66/76/48/180667648.db2.gz AVSXVIYYFWUPRC-LBPRGKRZSA-N 0 0 246.289 2.296 50 0 BEAARN COc1cc(CNC(=O)C[C@H]2C=CCC2)ccn1 ZINC000012539689 352006053 /nfs/dbraw/zinc/00/60/53/352006053.db2.gz LZUISMOFPUQCMO-NSHDSACASA-N 0 0 246.310 2.063 50 0 BEAARN Cc1ccc(C)c2c1CC(C)(C)NC2=O ZINC000003624527 352313534 /nfs/dbraw/zinc/31/35/34/352313534.db2.gz NHXGZDMHACCQAT-UHFFFAOYSA-N 0 0 203.285 2.368 50 0 BEAARN Cn1ccc(NC(=O)CCc2ccc(F)cc2)n1 ZINC000044873063 180709930 /nfs/dbraw/zinc/70/99/30/180709930.db2.gz VGBGJETYNAWFFI-UHFFFAOYSA-N 0 0 247.273 2.131 50 0 BEAARN Cn1cc(C(=O)c2cc3ccccc3o2)cn1 ZINC000044496466 352343664 /nfs/dbraw/zinc/34/36/64/352343664.db2.gz VKUCVUPQVDBWDD-UHFFFAOYSA-N 0 0 226.235 2.397 50 0 BEAARN CC(C)CC(=O)N1CCC(CF)CC1 ZINC000334524380 352343872 /nfs/dbraw/zinc/34/38/72/352343872.db2.gz DPJGSVYWDDMBNO-UHFFFAOYSA-N 0 0 201.285 2.241 50 0 BEAARN CNc1nc(N2CCC[C@@H](C)[C@H]2C)ncc1F ZINC000725271650 538103545 /nfs/dbraw/zinc/10/35/45/538103545.db2.gz JMUNLMDMRBPFAF-RKDXNWHRSA-N 0 0 238.310 2.282 50 0 BEAARN CC(C)(C(=O)NC1CCCC1)C(F)F ZINC000335785430 133906164 /nfs/dbraw/zinc/90/61/64/133906164.db2.gz WHLBASXRKSCJCZ-UHFFFAOYSA-N 0 0 205.248 2.337 50 0 BEAARN COC(=O)c1ccc(OC)c(OC)c1Cl ZINC000000132433 187755540 /nfs/dbraw/zinc/75/55/40/187755540.db2.gz RYYAHUFRPCBHCT-UHFFFAOYSA-N 0 0 230.647 2.144 50 0 BEAARN Ic1ccc2c(c1)OCO2 ZINC000002571866 187756131 /nfs/dbraw/zinc/75/61/31/187756131.db2.gz NMMCBIXYIYQHCP-UHFFFAOYSA-N 0 0 248.019 2.020 50 0 in-vitro BEAARN CC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000004031458 187756892 /nfs/dbraw/zinc/75/68/92/187756892.db2.gz LDYZADQDAXBOIE-ZCFIWIBFSA-N 0 0 210.302 2.226 50 0 BEAARN CC(C)(C)c1ccc(-c2nc(N)n[nH]2)cc1 ZINC000012946193 187760945 /nfs/dbraw/zinc/76/09/45/187760945.db2.gz CUOJWWPOIXAHTI-UHFFFAOYSA-N 0 0 216.288 2.351 50 0 BEAARN CC(C)=CC(=O)NC[C@H]1Cc2cc(F)ccc2O1 ZINC000022311999 187763766 /nfs/dbraw/zinc/76/37/66/187763766.db2.gz XOTJCIANDVLWLT-GFCCVEGCSA-N 0 0 249.285 2.212 50 0 BEAARN CC(F)(F)C(C)(C)C(=O)NC1CCC1 ZINC000334724773 535185034 /nfs/dbraw/zinc/18/50/34/535185034.db2.gz MHMRXVBIZFBZGE-UHFFFAOYSA-N 0 0 205.248 2.337 50 0 BEAARN Cc1c(Cl)cccc1NC(=O)Cn1ccnc1 ZINC000029594085 352671995 /nfs/dbraw/zinc/67/19/95/352671995.db2.gz QDBYITIOLFGQAE-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN Cn1cnc2cc(NC(=O)OC(C)(C)C)cnc21 ZINC000038534116 187773226 /nfs/dbraw/zinc/77/32/26/187773226.db2.gz VKDSJLDXOOVMGB-UHFFFAOYSA-N 0 0 248.286 2.315 50 0 BEAARN COc1ccc(C(=O)c2ccccn2)c(OC)c1 ZINC000043210499 187777452 /nfs/dbraw/zinc/77/74/52/187777452.db2.gz AGQJUAXUYVZJQQ-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN CC(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000046894288 187778678 /nfs/dbraw/zinc/77/86/78/187778678.db2.gz XDUBXPGXSGZOFH-UHFFFAOYSA-N 0 0 232.283 2.302 50 0 BEAARN C/C=C\C[C@H]1CC(=O)C[C@@H]1CC(=O)OC ZINC000063772261 187784850 /nfs/dbraw/zinc/78/48/50/187784850.db2.gz JYZHNYACTQVZBM-RWCMCFKCSA-N 0 0 210.273 2.111 50 0 BEAARN Cc1cc(C)cc(NC(=O)C(=O)c2ccc[nH]2)c1 ZINC000065083675 187785630 /nfs/dbraw/zinc/78/56/30/187785630.db2.gz HFEQFOZGBXQCDW-UHFFFAOYSA-N 0 0 242.278 2.453 50 0 BEAARN CCOc1ccccc1-c1cnc(N)nc1 ZINC000065419492 187785660 /nfs/dbraw/zinc/78/56/60/187785660.db2.gz QTLMRGZAFTUFKG-UHFFFAOYSA-N 0 0 215.256 2.125 50 0 BEAARN Cc1nocc1CN1CCC[C@@H]1C(F)F ZINC000334216149 352815924 /nfs/dbraw/zinc/81/59/24/352815924.db2.gz REMNWAJXEYSETP-SECBINFHSA-N 0 0 216.231 2.213 50 0 BEAARN Cn1nc(C2CC2)nc1CCOc1ccccc1 ZINC000095364648 180803628 /nfs/dbraw/zinc/80/36/28/180803628.db2.gz DWNRIXCYVBTRPH-UHFFFAOYSA-N 0 0 243.310 2.314 50 0 BEAARN Cn1nc2c(c1NC(=O)c1cccs1)CCC2 ZINC000023135645 180808635 /nfs/dbraw/zinc/80/86/35/180808635.db2.gz BNKVDRWMFOZJAP-UHFFFAOYSA-N 0 0 247.323 2.223 50 0 BEAARN Cn1ncc2c1ncnc2Nc1ccccc1 ZINC000000525723 180824468 /nfs/dbraw/zinc/82/44/68/180824468.db2.gz LTLUFTPFPWSLSB-UHFFFAOYSA-N 0 0 225.255 2.107 50 0 BEAARN CCN1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000002763687 353000936 /nfs/dbraw/zinc/00/09/36/353000936.db2.gz BZCZCSPHHZOKIQ-UHFFFAOYSA-N 0 0 247.342 2.164 50 0 BEAARN Cn1nccc1C(=O)Nc1cccc(Cl)c1 ZINC000006699722 180833079 /nfs/dbraw/zinc/83/30/79/180833079.db2.gz ZSLVRZGFVHABNU-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN Cn1nccc1C(=O)NC(C)(C)CC(C)(C)C ZINC000006729412 180830786 /nfs/dbraw/zinc/83/07/86/180830786.db2.gz IIIAQIMFRGLWOJ-UHFFFAOYSA-N 0 0 237.347 2.365 50 0 BEAARN OCc1ccc(OCCC2CCC2)cn1 ZINC000398592733 353110146 /nfs/dbraw/zinc/11/01/46/353110146.db2.gz QAKMAWBBDVXFEX-UHFFFAOYSA-N 0 0 207.273 2.143 50 0 BEAARN CC(C)(SCc1ccccc1)[C@H]([NH3+])C(=O)[O-] ZINC000000105175 188098535 /nfs/dbraw/zinc/09/85/35/188098535.db2.gz YPZAXRYHYTVHPA-SNVBAGLBSA-N 0 0 239.340 2.110 50 0 in-vitro BEAARN CC(C)(SCc1ccccc1)[C@@H]([NH3+])C(=O)[O-] ZINC000000105177 188098773 /nfs/dbraw/zinc/09/87/73/188098773.db2.gz YPZAXRYHYTVHPA-JTQLQIEISA-N 0 0 239.340 2.110 50 0 in-vitro BEAARN CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(C(C)C)C(=O)[C@H]21 ZINC000000033164 188098810 /nfs/dbraw/zinc/09/88/10/188098810.db2.gz QZDGIMJUMMQDQD-QZHINBJYSA-N 0 0 245.322 2.148 50 0 BEAARN Cn1nnnc1-c1cc(Cl)cc(Cl)c1 ZINC000001405251 180873003 /nfs/dbraw/zinc/87/30/03/180873003.db2.gz PQTZIWNDBBWLNV-UHFFFAOYSA-N 0 0 229.070 2.184 50 0 BEAARN CCn1c(=O)cc(C)c2c1CC(C)(C)CC2=O ZINC000000339699 188099311 /nfs/dbraw/zinc/09/93/11/188099311.db2.gz AYMFPCDOUSZSPF-UHFFFAOYSA-N 0 0 233.311 2.332 50 0 BEAARN CC(=O)c1c(C)nc(-c2ccccc2)n1O ZINC000000532712 188099627 /nfs/dbraw/zinc/09/96/27/188099627.db2.gz URIZACHEOCEEER-UHFFFAOYSA-N 0 0 216.240 2.298 50 0 BEAARN CC(C)[C@@]1(C)NC(=S)N(c2ccccc2)N1 ZINC000003024446 188101272 /nfs/dbraw/zinc/10/12/72/188101272.db2.gz DAEYJORFHFJBSZ-LBPRGKRZSA-N 0 0 235.356 2.258 50 0 BEAARN COc1ccc([C@@H](C)n2nccc2N)cc1 ZINC000004575253 188102324 /nfs/dbraw/zinc/10/23/24/188102324.db2.gz PVDNFFDOIHTQQB-SECBINFHSA-N 0 0 217.272 2.083 50 0 BEAARN Cc1nc(SCC(=O)c2ccc(C)cc2)n[nH]1 ZINC000006552470 188103112 /nfs/dbraw/zinc/10/31/12/188103112.db2.gz DQAGVSGTKVEBBB-UHFFFAOYSA-N 0 0 247.323 2.397 50 0 BEAARN S=C1N=NC(NC2CCCC2)S1 ZINC000005826333 188103265 /nfs/dbraw/zinc/10/32/65/188103265.db2.gz UGEBXWNCTRTMGN-UHFFFAOYSA-N 0 0 201.320 2.181 50 0 BEAARN CSc1ccc(OCC(=O)NC2CC2)cc1 ZINC000006127477 188103343 /nfs/dbraw/zinc/10/33/43/188103343.db2.gz SBZAASAAWPOIHS-UHFFFAOYSA-N 0 0 237.324 2.066 50 0 BEAARN Cc1cccc(C(=O)[C@H](O)c2cccc(C)n2)n1 ZINC000011535820 188103554 /nfs/dbraw/zinc/10/35/54/188103554.db2.gz IDUIGZZRUKXMOQ-CYBMUJFWSA-N 0 0 242.278 2.010 50 0 BEAARN CC(C)C[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000012955171 188104782 /nfs/dbraw/zinc/10/47/82/188104782.db2.gz WXGGVOBNOVOVAM-NSHDSACASA-N 0 0 242.363 2.241 50 0 BEAARN Cc1nc(N)sc1-n1ccc(C(F)(F)F)n1 ZINC000012394331 188104952 /nfs/dbraw/zinc/10/49/52/188104952.db2.gz JGGXTJSNPHMHSG-UHFFFAOYSA-N 0 0 248.233 2.238 50 0 BEAARN CC(C)[C@H](C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000011801222 188105026 /nfs/dbraw/zinc/10/50/26/188105026.db2.gz FKHOVIRCWJBQHY-CYBMUJFWSA-N 0 0 233.311 2.154 50 0 BEAARN Cn1ccs/c1=N\C(=O)Nc1ccccc1 ZINC000017823454 188107217 /nfs/dbraw/zinc/10/72/17/188107217.db2.gz KWALDNQIQIFHQI-QBFSEMIESA-N 0 0 233.296 2.219 50 0 BEAARN Cc1cc(C(=O)Nc2nccc(C)n2)cs1 ZINC000016971555 188107337 /nfs/dbraw/zinc/10/73/37/188107337.db2.gz LPWUSMCEUFZONQ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Nc1cccnc1NCc1ccc(F)cc1 ZINC000020278651 188108382 /nfs/dbraw/zinc/10/83/82/188108382.db2.gz SMVKMUNFPNCOAV-UHFFFAOYSA-N 0 0 217.247 2.415 50 0 BEAARN CCCn1nc(-c2ccccc2)ccc1=O ZINC000038790798 188109788 /nfs/dbraw/zinc/10/97/88/188109788.db2.gz BMSIKXXGJBTOMP-UHFFFAOYSA-N 0 0 214.268 2.320 50 0 BEAARN C[C@@H]1CNc2ncc(Br)cc2C1 ZINC000038478019 188117382 /nfs/dbraw/zinc/11/73/82/188117382.db2.gz WFNARPRWIPKUJB-LURJTMIESA-N 0 0 227.105 2.448 50 0 BEAARN COc1ccc(C(=O)N(C)C2CCCCC2)cn1 ZINC000040476494 188117960 /nfs/dbraw/zinc/11/79/60/188117960.db2.gz MHSOYPBDSWEHLR-UHFFFAOYSA-N 0 0 248.326 2.495 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)NCc1ccccc1 ZINC000042468925 188119510 /nfs/dbraw/zinc/11/95/10/188119510.db2.gz NXJDLKYOZAJIRX-LBPRGKRZSA-N 0 0 235.327 2.364 50 0 BEAARN CC(C)C[C@@H](C)N(C)C(=O)CCn1cccn1 ZINC000042726124 188120237 /nfs/dbraw/zinc/12/02/37/188120237.db2.gz UXSKOZMTAABSPS-GFCCVEGCSA-N 0 0 237.347 2.166 50 0 BEAARN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)cc1 ZINC000013319994 188105869 /nfs/dbraw/zinc/10/58/69/188105869.db2.gz RJDRLSHRAYLXIA-MFKMUULPSA-N 0 0 249.310 2.051 50 0 BEAARN COc1cc2n[nH]cc2c(Br)c1 ZINC000014983775 188105875 /nfs/dbraw/zinc/10/58/75/188105875.db2.gz OXGWZLFBKVMEGE-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CCCCc1nc(-c2ccccn2)no1 ZINC000015723998 188106002 /nfs/dbraw/zinc/10/60/02/188106002.db2.gz CBTIVXQPAICXGQ-UHFFFAOYSA-N 0 0 203.245 2.474 50 0 BEAARN COC(=O)[C@@H](N)c1cccc(Cl)c1Cl ZINC000037459751 363207654 /nfs/dbraw/zinc/20/76/54/363207654.db2.gz RIAVGLDRZKVQHO-QMMMGPOBSA-N 0 0 234.082 2.166 50 0 biogenic BEAARN CN(C)c1n[nH]c2ccc(Br)cc21 ZINC000045166766 188124053 /nfs/dbraw/zinc/12/40/53/188124053.db2.gz UTLXGPHHSUKKRU-UHFFFAOYSA-N 0 0 240.104 2.391 50 0 BEAARN Cn1nc(N)c2cc(Br)c(F)cc21 ZINC000095217988 188145629 /nfs/dbraw/zinc/14/56/29/188145629.db2.gz LMWGTTNLFDIWPV-UHFFFAOYSA-N 0 0 244.067 2.057 50 0 BEAARN CC(C)C[C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC000073189959 188131782 /nfs/dbraw/zinc/13/17/82/188131782.db2.gz GKMSKOKQHRLOJO-QWHCGFSZSA-N 0 0 249.358 2.339 50 0 BEAARN CC(C)Cn1cnc2cc(F)c(F)cc2c1=O ZINC000075138864 188132868 /nfs/dbraw/zinc/13/28/68/188132868.db2.gz WTMCOYURVOWNAT-UHFFFAOYSA-N 0 0 238.237 2.331 50 0 BEAARN FC(F)(F)Oc1ncc(Br)cn1 ZINC000147043141 180887496 /nfs/dbraw/zinc/88/74/96/180887496.db2.gz UPULUBMXYVHFJO-UHFFFAOYSA-N 0 0 242.982 2.138 50 0 BEAARN FC(F)(F)c1cc(C(F)(F)F)[nH]n1 ZINC000001023256 180891116 /nfs/dbraw/zinc/89/11/16/180891116.db2.gz NGDDUAYSWPUSLX-UHFFFAOYSA-N 0 0 204.073 2.447 50 0 BEAARN C/C=C/C(=O)NCCc1c[nH]c2ccccc12 ZINC000000290117 188156258 /nfs/dbraw/zinc/15/62/58/188156258.db2.gz XFEBMXSPLZMDRS-GORDUTHDSA-N 0 0 228.295 2.403 50 0 biogenic BEAARN CC(=O)Nc1ncc(CN2CCCCC2)s1 ZINC000004602629 188156911 /nfs/dbraw/zinc/15/69/11/188156911.db2.gz WQUWVCYQJKWKDB-UHFFFAOYSA-N 0 0 239.344 2.087 50 0 BEAARN O=C(NC[C@@H]1CCCO1)Nc1ccccc1F ZINC000002889981 188157336 /nfs/dbraw/zinc/15/73/36/188157336.db2.gz UXVOOWKUMQTBSV-VIFPVBQESA-N 0 0 238.262 2.126 50 0 BEAARN O=C(NC[C@@H]1CCCOC1)OCc1ccccc1 ZINC000096372407 188147948 /nfs/dbraw/zinc/14/79/48/188147948.db2.gz PEHYIKIUPOKBDC-ZDUSSCGKSA-N 0 0 249.310 2.339 50 0 BEAARN c1ccc2[nH]c(CN3CC=CCC3)nc2c1 ZINC000019923896 188173921 /nfs/dbraw/zinc/17/39/21/188173921.db2.gz AJSAHKHRKSGBJI-UHFFFAOYSA-N 0 0 213.284 2.325 50 0 BEAARN CC(C)N(C)C(=O)c1cc(-c2cccnc2)on1 ZINC000097366800 188149162 /nfs/dbraw/zinc/14/91/62/188149162.db2.gz KFWUIQCFNGOKJO-UHFFFAOYSA-N 0 0 245.282 2.217 50 0 BEAARN CC(C)Cn1ccc(Br)cc1=O ZINC000255190227 188193203 /nfs/dbraw/zinc/19/32/03/188193203.db2.gz VSUUXDQJZVTAPW-UHFFFAOYSA-N 0 0 230.105 2.267 50 0 BEAARN FC(F)Cn1ccc(N[C@H]2CCCSC2)n1 ZINC000097371020 180905349 /nfs/dbraw/zinc/90/53/49/180905349.db2.gz LWNSPZIPMJWNRK-QMMMGPOBSA-N 0 0 247.314 2.456 50 0 BEAARN FC(F)Oc1ccc(NCc2ccon2)nc1 ZINC000091731996 180906929 /nfs/dbraw/zinc/90/69/29/180906929.db2.gz ITJHTPDONTYRHM-UHFFFAOYSA-N 0 0 241.197 2.283 50 0 BEAARN Cc1ccc(C(=O)Nc2nccc(C)n2)s1 ZINC000028227807 188180782 /nfs/dbraw/zinc/18/07/82/188180782.db2.gz JIOTWNGVZNEZTR-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN C[C@H](Nc1cnccn1)[C@H]1COc2ccccc21 ZINC000241316724 188191943 /nfs/dbraw/zinc/19/19/43/188191943.db2.gz LUJDZDRDCLRGDS-CMPLNLGQSA-N 0 0 241.294 2.453 50 0 BEAARN Cc1cc(C)n(Cc2cccc3c2OCCO3)n1 ZINC000098016337 538114854 /nfs/dbraw/zinc/11/48/54/538114854.db2.gz WGZPXZVXZJVVFF-UHFFFAOYSA-N 0 0 244.294 2.319 50 0 BEAARN CCCn1nnnc1-c1cccc(Cl)c1 ZINC000001405257 353391305 /nfs/dbraw/zinc/39/13/05/353391305.db2.gz OKIHZEJBYXVLFJ-UHFFFAOYSA-N 0 0 222.679 2.404 50 0 BEAARN Fc1cc(OCCn2ccnn2)ccc1Cl ZINC000170611127 180954974 /nfs/dbraw/zinc/95/49/74/180954974.db2.gz HMRBOMCFZDGNGR-UHFFFAOYSA-N 0 0 241.653 2.150 50 0 BEAARN Fc1ccc(-c2cnnc(NCC3CC3)n2)cc1 ZINC000012586746 180959110 /nfs/dbraw/zinc/95/91/10/180959110.db2.gz XYHVSJWYBGJIEG-UHFFFAOYSA-N 0 0 244.273 2.500 50 0 BEAARN CON(C)C(=O)c1ccc(Br)cc1 ZINC000002583949 353476167 /nfs/dbraw/zinc/47/61/67/353476167.db2.gz YEHZWOBPONLEEH-UHFFFAOYSA-N 0 0 244.088 2.083 50 0 BEAARN Cc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1C ZINC000016649727 353553139 /nfs/dbraw/zinc/55/31/39/353553139.db2.gz MLAWRIPNSAMPEI-AWEZNQCLSA-N 0 0 247.338 2.141 50 0 BEAARN Fc1ccc2[nH]cnc2c1Br ZINC000075759726 180984242 /nfs/dbraw/zinc/98/42/42/180984242.db2.gz RFGYJBOPQDDBFC-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000003430802 188456761 /nfs/dbraw/zinc/45/67/61/188456761.db2.gz LOYPWJZWUMOVRW-UFBFGSQYSA-N 0 0 232.283 2.240 50 0 BEAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC1 ZINC000012537654 188460029 /nfs/dbraw/zinc/46/00/29/188460029.db2.gz INZMKOAIQNKCCM-UHFFFAOYSA-N 0 0 226.279 2.323 50 0 BEAARN C[C@@H]1CC(=O)C[C@@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000252426406 363239926 /nfs/dbraw/zinc/23/99/26/363239926.db2.gz ANOJDUHFBKNOAI-DYLAAIIWSA-N 0 0 230.263 2.304 50 0 BEAARN CN(C)c1ccc(C(=O)N2CCCCC2)cc1 ZINC000000288043 188453050 /nfs/dbraw/zinc/45/30/50/188453050.db2.gz SIRANENMPOFKPC-UHFFFAOYSA-N 0 0 232.327 2.379 50 0 BEAARN CC1(C)OC(=O)C[C@H]1CC(=O)Nc1ccccc1 ZINC000035325914 188467522 /nfs/dbraw/zinc/46/75/22/188467522.db2.gz WDYQWWGMVXNMHB-SNVBAGLBSA-N 0 0 247.294 2.357 50 0 BEAARN CCN1C(=O)O[C@@](C)(Cc2ccccc2)[C@@]1(C)O ZINC000001421331 353695114 /nfs/dbraw/zinc/69/51/14/353695114.db2.gz FONYFFBMSQCTHB-UONOGXRCSA-N 0 0 249.310 2.168 50 0 BEAARN CCc1[nH]nc(NCc2ccco2)c1C ZINC000089280092 188487606 /nfs/dbraw/zinc/48/76/06/188487606.db2.gz UOSPUNKYLCWOHN-UHFFFAOYSA-N 0 0 205.261 2.486 50 0 BEAARN Fc1ccccc1CSc1nc[nH]n1 ZINC000011990302 181012459 /nfs/dbraw/zinc/01/24/59/181012459.db2.gz JSCJXOMZAPTHDW-UHFFFAOYSA-N 0 0 209.249 2.236 50 0 BEAARN COCCn1nc(C)c(NCC(C)C)c1C ZINC000097049513 188502102 /nfs/dbraw/zinc/50/21/02/188502102.db2.gz QVTWKWWRVPHONJ-UHFFFAOYSA-N 0 0 225.336 2.214 50 0 BEAARN Ic1ccsc1 ZINC000002015848 181022468 /nfs/dbraw/zinc/02/24/68/181022468.db2.gz WGKRMQIQXMJVFZ-UHFFFAOYSA-N 0 0 210.039 2.353 50 0 BEAARN Fc1cccnc1N1CCC(F)(F)C1 ZINC000169725330 181015337 /nfs/dbraw/zinc/01/53/37/181015337.db2.gz BOADJDSPZKLINM-UHFFFAOYSA-N 0 0 202.179 2.066 50 0 BEAARN Fc1cccnc1NCC1CCOCC1 ZINC000082545061 181015589 /nfs/dbraw/zinc/01/55/89/181015589.db2.gz RDLLIXJKRKAZRZ-UHFFFAOYSA-N 0 0 210.252 2.059 50 0 BEAARN CC(=O)Nc1nnc(-c2ccccc2C)s1 ZINC000000620825 188517216 /nfs/dbraw/zinc/51/72/16/188517216.db2.gz PMGHMYXAQVXAAP-UHFFFAOYSA-N 0 0 233.296 2.472 50 0 BEAARN N#CN(Cc1ccno1)c1ccc(F)cc1 ZINC000336311286 181053441 /nfs/dbraw/zinc/05/34/41/181053441.db2.gz PQJCTZMKFZXJDX-UHFFFAOYSA-N 0 0 217.203 2.301 50 0 BEAARN Cc1[nH]n(Cc2ccccc2)c2cnnc1-2 ZINC000045921156 188576202 /nfs/dbraw/zinc/57/62/02/188576202.db2.gz AVBHAMXJAMBAFM-UHFFFAOYSA-N 0 0 212.256 2.116 50 0 BEAARN CC(C)(O)C(=O)NCC(C)(C)C1=CCCCC1 ZINC000408514676 535256792 /nfs/dbraw/zinc/25/67/92/535256792.db2.gz ZCOAFEDHIQNJAB-UHFFFAOYSA-N 0 0 239.359 2.400 50 0 BEAARN CCOc1ncccc1C(=O)N1CCCC[C@@H]1C ZINC000032666376 354492901 /nfs/dbraw/zinc/49/29/01/354492901.db2.gz VWMRHMLEURBXGZ-NSHDSACASA-N 0 0 248.326 2.495 50 0 BEAARN C[C@H](NC(=O)c1ccoc1)c1cccnc1 ZINC000032873744 354555643 /nfs/dbraw/zinc/55/56/43/354555643.db2.gz XZUUUVUAWWCDHN-VIFPVBQESA-N 0 0 216.240 2.166 50 0 BEAARN O=C(N[C@@H]1C[C@H]1C1CCC1)C1CC(F)(F)C1 ZINC000335105323 354689383 /nfs/dbraw/zinc/68/93/83/354689383.db2.gz NUSMXJDFWPVOEI-VHSXEESVSA-N 0 0 229.270 2.337 50 0 BEAARN COC(=O)c1cnn(-c2ccccc2F)c1C ZINC000040489167 358491916 /nfs/dbraw/zinc/49/19/16/358491916.db2.gz XDLUTUUUITVUPO-UHFFFAOYSA-N 0 0 234.230 2.106 50 0 BEAARN CSCc1nc(-c2ccc(F)cn2)no1 ZINC000335251870 355173863 /nfs/dbraw/zinc/17/38/63/355173863.db2.gz RSOYNZIKAVEWKZ-UHFFFAOYSA-N 0 0 225.248 2.134 50 0 BEAARN CC[C@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000040514188 358494416 /nfs/dbraw/zinc/49/44/16/358494416.db2.gz AAGUGWGPZPKMLL-JTQLQIEISA-N 0 0 222.288 2.245 50 0 BEAARN O=c1[nH]cc(C(F)(F)F)cc1-c1cccnc1 ZINC000047213815 355366768 /nfs/dbraw/zinc/36/67/68/355366768.db2.gz WYZFEDDESWMESG-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN N=C(NCc1ccccc1)c1ccco1 ZINC000215980683 181199220 /nfs/dbraw/zinc/19/92/20/181199220.db2.gz SDPWOKXFUZYVSF-UHFFFAOYSA-N 0 0 200.241 2.395 50 0 BEAARN CC(=O)Nc1cccc(-c2ccnc(CO)c2)c1 ZINC000032534831 355620339 /nfs/dbraw/zinc/62/03/39/355620339.db2.gz IZIROZANYSGSBB-UHFFFAOYSA-N 0 0 242.278 2.199 50 0 BEAARN N=C1NC(=O)/C(=C\c2ccc(Cl)cc2)S1 ZINC000012410085 181206435 /nfs/dbraw/zinc/20/64/35/181206435.db2.gz VWLLPISBNMJQES-VMPITWQZSA-N 0 0 238.699 2.479 50 0 BEAARN N=C1NC(=O)/C(=C/C=C/c2cccs2)S1 ZINC000004611994 181206942 /nfs/dbraw/zinc/20/69/42/181206942.db2.gz IUCNKAGQALMSNZ-ZWGQKFFPSA-N 0 0 236.321 2.443 50 0 BEAARN N=C1Sc2ccccc2C2=NCCCN12 ZINC000003993826 181207377 /nfs/dbraw/zinc/20/73/77/181207377.db2.gz JNENSSREQFBZGT-UHFFFAOYSA-N 0 0 217.297 2.179 50 0 in-vitro BEAARN CC1(C)C[C@@H](O)CC[N@H+](Cc2cncs2)C1 ZINC000294706161 355800578 /nfs/dbraw/zinc/80/05/78/355800578.db2.gz BDWOXQWIFDKXBG-JTQLQIEISA-N 0 0 240.372 2.126 50 0 BEAARN Cc1occc1C(=O)Nc1cncc(F)c1 ZINC000336038604 134060811 /nfs/dbraw/zinc/06/08/11/134060811.db2.gz YJPFNLDZNPKTKP-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN O=C1CCCc2nc3ccccc3c(O)c21 ZINC000016949390 355882208 /nfs/dbraw/zinc/88/22/08/355882208.db2.gz YGMIHUBFTQHKJX-UHFFFAOYSA-N 0 0 213.236 2.047 50 0 BEAARN NC(=O)CCCCSc1ncc2ccccn21 ZINC000065724419 181221249 /nfs/dbraw/zinc/22/12/49/181221249.db2.gz JTIRISYFTVPSQS-UHFFFAOYSA-N 0 0 249.339 2.082 50 0 BEAARN NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000032958156 181239529 /nfs/dbraw/zinc/23/95/29/181239529.db2.gz OCHAHNHPYNESHB-UHFFFAOYSA-N 0 0 245.278 2.176 50 0 BEAARN NC(=O)CN(Cc1ccccc1)[C@H]1C=CCCC1 ZINC000071900602 181228837 /nfs/dbraw/zinc/22/88/37/181228837.db2.gz NRDIJUPMDKYAJQ-AWEZNQCLSA-N 0 0 244.338 2.083 50 0 BEAARN Cc1cc(CN(C)C(=O)C[C@H]2C=CCC2)no1 ZINC000047665376 356094040 /nfs/dbraw/zinc/09/40/40/356094040.db2.gz YOSUZNYNMDHULQ-NSHDSACASA-N 0 0 234.299 2.298 50 0 BEAARN Cc1cc(CN(C)C(=O)c2occc2C)no1 ZINC000047665347 356094404 /nfs/dbraw/zinc/09/44/04/356094404.db2.gz OUISFWUSJDGVMZ-UHFFFAOYSA-N 0 0 234.255 2.157 50 0 BEAARN NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002510752 181263015 /nfs/dbraw/zinc/26/30/15/181263015.db2.gz LOSFVIMHTOMZKT-UHFFFAOYSA-N 0 0 220.150 2.076 50 0 BEAARN O=S1(=O)C[C@@H]2CC=C3CCCC[C@H]3[C@H]2C1 ZINC000045027902 356372048 /nfs/dbraw/zinc/37/20/48/356372048.db2.gz IDUKJPBRTFHNFG-TUAOUCFPSA-N 0 0 226.341 2.168 50 0 BEAARN COC(=O)NC12CC[C@@H]3CC[C@@H](CC1)C32 ZINC000045069740 356372528 /nfs/dbraw/zinc/37/25/28/356372528.db2.gz XRKQDMZKLRBVKI-RKVXJDFWSA-N 0 0 209.289 2.311 50 0 BEAARN O=C(c1cccc(F)c1)N1CCSCC1 ZINC000049213309 356373417 /nfs/dbraw/zinc/37/34/17/356373417.db2.gz FWKODFYNJFQICE-UHFFFAOYSA-N 0 0 225.288 2.015 50 0 BEAARN CCOc1ccc(C(=O)Nc2cn[nH]c2)cc1 ZINC000035237575 356424143 /nfs/dbraw/zinc/42/41/43/356424143.db2.gz IAOMIXQEVZRQDQ-UHFFFAOYSA-N 0 0 231.255 2.061 50 0 BEAARN NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000072406708 181273344 /nfs/dbraw/zinc/27/33/44/181273344.db2.gz CHBQGFRKOKEJCF-RKDXNWHRSA-N 0 0 229.201 2.294 50 0 BEAARN NC(=O)c1c(N)sc2c1CCc1ccccc1-2 ZINC000003818574 181286118 /nfs/dbraw/zinc/28/61/18/181286118.db2.gz AAQADBFOLFOIOA-UHFFFAOYSA-N 0 0 244.319 2.195 50 0 BEAARN NC(=O)c1c(F)cccc1OC1CCCC1 ZINC000097115456 181285719 /nfs/dbraw/zinc/28/57/19/181285719.db2.gz BLVVBDPQHKQMEF-UHFFFAOYSA-N 0 0 223.247 2.246 50 0 BEAARN NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000072406705 181284534 /nfs/dbraw/zinc/28/45/34/181284534.db2.gz CHBQGFRKOKEJCF-IUCAKERBSA-N 0 0 229.201 2.294 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(Cl)o1 ZINC000012936629 363487576 /nfs/dbraw/zinc/48/75/76/363487576.db2.gz BUIGHCNWKUERKM-ZCFIWIBFSA-N 0 0 201.653 2.461 50 0 BEAARN Cc1ccc(CNC(=O)C(C)C)cc1F ZINC000012917563 363487766 /nfs/dbraw/zinc/48/77/66/363487766.db2.gz IGILJNWBYFTHOR-UHFFFAOYSA-N 0 0 209.264 2.406 50 0 BEAARN NC(=O)c1c2cc(F)ccc2nc2c1CCCC2 ZINC000064553320 181287074 /nfs/dbraw/zinc/28/70/74/181287074.db2.gz RAHAGIBTUORTFD-UHFFFAOYSA-N 0 0 244.269 2.352 50 0 BEAARN NC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000002565440 181287384 /nfs/dbraw/zinc/28/73/84/181287384.db2.gz MCGYLXFQIZWHLI-UHFFFAOYSA-N 0 0 226.279 2.213 50 0 BEAARN COc1cccn2ncc(Br)c12 ZINC000675050738 538472946 /nfs/dbraw/zinc/47/29/46/538472946.db2.gz LUUGZYJBMFRZQC-UHFFFAOYSA-N 0 0 227.061 2.105 50 0 BEAARN Cn1nc(C2CCC2)cc1NC(=O)C1CC1 ZINC000089741064 538583448 /nfs/dbraw/zinc/58/34/48/538583448.db2.gz JEXGDDWSRVCLST-UHFFFAOYSA-N 0 0 219.288 2.036 50 0 BEAARN O=C(c1ccccn1)N1CC[C@H]2CCCC[C@@H]21 ZINC000089878931 538584248 /nfs/dbraw/zinc/58/42/48/538584248.db2.gz XGWAGNPPXBGYFK-YPMHNXCESA-N 0 0 230.311 2.486 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1cc(C2CCC2)nn1C ZINC000089921932 538586083 /nfs/dbraw/zinc/58/60/83/538586083.db2.gz OIAWQAVYYZVPQJ-WPRPVWTQSA-N 0 0 233.315 2.282 50 0 BEAARN CC(=O)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000095394056 538606474 /nfs/dbraw/zinc/60/64/74/538606474.db2.gz ZSTLEZNHZHWPHT-GFCCVEGCSA-N 0 0 207.248 2.413 50 0 BEAARN O=C(O[C@@H]1CCSC1)c1ccc2cc[nH]c2n1 ZINC000096013415 538611991 /nfs/dbraw/zinc/61/19/91/538611991.db2.gz ASVBEJPSGWVGAI-SECBINFHSA-N 0 0 248.307 2.225 50 0 BEAARN c1cc(N[C@@H]2CCCOC2)cc2c1COC2 ZINC000095991737 538614612 /nfs/dbraw/zinc/61/46/12/538614612.db2.gz LXPNAESJZPNIOX-CYBMUJFWSA-N 0 0 219.284 2.308 50 0 BEAARN Cc1cnc(C(C)(C)[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000095991506 538614655 /nfs/dbraw/zinc/61/46/55/538614655.db2.gz NGEQHHPEIGRNDF-VHSXEESVSA-N 0 0 240.372 2.454 50 0 BEAARN CO[C@H](C)c1noc(-c2scnc2C)n1 ZINC000075093599 356821495 /nfs/dbraw/zinc/82/14/95/356821495.db2.gz XYKMVQOMEFENBQ-ZCFIWIBFSA-N 0 0 225.273 2.209 50 0 BEAARN O=C(c1cscn1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000098013199 538710867 /nfs/dbraw/zinc/71/08/67/538710867.db2.gz HIDRUNSKDSZYJB-UWVGGRQHSA-N 0 0 234.324 2.181 50 0 BEAARN COC(=O)c1cc2[nH]ccc2c(C)c1C(=O)OC ZINC000075253754 356915850 /nfs/dbraw/zinc/91/58/50/356915850.db2.gz NFEKWKMRNDZRAM-UHFFFAOYSA-N 0 0 247.250 2.050 50 0 BEAARN CN(C)c1ncnnc1-c1ccc(Cl)cc1 ZINC000075259972 356922630 /nfs/dbraw/zinc/92/26/30/356922630.db2.gz KWLRQGFFGPLRRO-UHFFFAOYSA-N 0 0 234.690 2.258 50 0 BEAARN COc1cc(/C=C2/C=CC(=O)O2)cc(OC)c1 ZINC000075260279 356926492 /nfs/dbraw/zinc/92/64/92/356926492.db2.gz NKQAEYUHMBCJGR-YHYXMXQVSA-N 0 0 232.235 2.158 50 0 BEAARN Fc1cc2nc3c(nc2cc1F)CCC3 ZINC000075260143 356926688 /nfs/dbraw/zinc/92/66/88/356926688.db2.gz AKXVOQPWPNDGMF-UHFFFAOYSA-N 0 0 206.195 2.397 50 0 BEAARN Cc1c(O)nc(-c2ccccc2)sc1=O ZINC000075279197 356937717 /nfs/dbraw/zinc/93/77/17/356937717.db2.gz RADKKBZQKDERER-UHFFFAOYSA-N 0 0 219.265 2.184 50 0 BEAARN Cc1cccc(NC(=O)N2CCC[C@@H]3C[C@@H]32)n1 ZINC000585081871 538793381 /nfs/dbraw/zinc/79/33/81/538793381.db2.gz SWBDBSUULIPSIX-MNOVXSKESA-N 0 0 231.299 2.406 50 0 BEAARN COC(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000001651947 357068137 /nfs/dbraw/zinc/06/81/37/357068137.db2.gz ASJZPQFCFNYJJX-UHFFFAOYSA-N 0 0 224.216 2.043 50 0 BEAARN C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(F)c1 ZINC000012977072 538780733 /nfs/dbraw/zinc/78/07/33/538780733.db2.gz JXAGVEKCVKBHDZ-SKDRFNHKSA-N 0 0 237.274 2.182 50 0 BEAARN COC(=O)[C@@H]1O[C@]1(C)c1ccc(Cl)cc1 ZINC000001696004 357158677 /nfs/dbraw/zinc/15/86/77/357158677.db2.gz WOLWRWLLWNBPRS-GXSJLCMTSA-N 0 0 226.659 2.127 50 0 BEAARN COC(=O)[C@@H]1O[C@@]1(C)c1ccc(Cl)cc1 ZINC000001696005 357158721 /nfs/dbraw/zinc/15/87/21/357158721.db2.gz WOLWRWLLWNBPRS-ONGXEEELSA-N 0 0 226.659 2.127 50 0 BEAARN Cc1ccc(CC(=O)N2CC(C(F)F)C2)cc1 ZINC000585392124 538798010 /nfs/dbraw/zinc/79/80/10/538798010.db2.gz ZBKFTLNFOIZDDD-UHFFFAOYSA-N 0 0 239.265 2.261 50 0 BEAARN Cc1ccc(C(=O)N2CC(C(F)F)C2)cc1 ZINC000585390950 538799129 /nfs/dbraw/zinc/79/91/29/538799129.db2.gz FCIFANFKXILHED-UHFFFAOYSA-N 0 0 225.238 2.332 50 0 BEAARN Cc1csc(S[C@H]2C[C@@H](C)OC2=O)n1 ZINC000040462989 357496854 /nfs/dbraw/zinc/49/68/54/357496854.db2.gz WESVSHWUCCCNND-RQJHMYQMSA-N 0 0 229.326 2.248 50 0 BEAARN COc1ccc(NC(C)=O)c2ncccc12 ZINC000012379604 357481992 /nfs/dbraw/zinc/48/19/92/357481992.db2.gz HLJGDXKPGSZRLJ-UHFFFAOYSA-N 0 0 216.240 2.202 50 0 BEAARN CCc1ccc(N2C(=S)N=NC2COC)cc1 ZINC000006395144 358008127 /nfs/dbraw/zinc/00/81/27/358008127.db2.gz RKVRQPMMARUKKI-UHFFFAOYSA-N 0 0 249.339 2.265 50 0 BEAARN COCC1N=NC(=S)N1c1ccc(C)c(C)c1 ZINC000006401102 358009993 /nfs/dbraw/zinc/00/99/93/358009993.db2.gz BYXWDOPNDYPEFN-UHFFFAOYSA-N 0 0 249.339 2.319 50 0 BEAARN CC(C)c1nc(CC(=O)NC2CC2)cs1 ZINC000032487985 358040578 /nfs/dbraw/zinc/04/05/78/358040578.db2.gz JOBIJMNFBDLLBB-UHFFFAOYSA-N 0 0 224.329 2.088 50 0 BEAARN Cc1cc(C)cc(NC(=O)c2ccc[nH]c2=O)c1 ZINC000013022191 358202402 /nfs/dbraw/zinc/20/24/02/358202402.db2.gz NEPKHISYRHNPSX-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 BEAARN Cc1cncc(C(=O)N[C@@H]2CC[C@@H](F)C2)c1 ZINC000335911726 358223385 /nfs/dbraw/zinc/22/33/85/358223385.db2.gz VLAQJHAXOPZUDV-GHMZBOCLSA-N 0 0 222.263 2.010 50 0 BEAARN COc1ccc(CO[C@@H]2C[C@H]3O[C@H]3C2)cc1 ZINC000584640002 358325696 /nfs/dbraw/zinc/32/56/96/358325696.db2.gz SSZQHFBRDKFZGF-XYYAHUGASA-N 0 0 220.268 2.142 50 0 BEAARN NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000134027 181299023 /nfs/dbraw/zinc/29/90/23/181299023.db2.gz IHUPDLORJYONDM-UHFFFAOYSA-N 0 0 240.262 2.038 50 0 BEAARN O=C1N[C@@H](c2ccc(Br)cc2)CO1 ZINC000071783035 359080209 /nfs/dbraw/zinc/08/02/09/359080209.db2.gz ZMFGCUVSMQUNBH-MRVPVSSYSA-N 0 0 242.072 2.230 50 0 BEAARN O=C(Nc1cc(Cl)ccn1)C1CCC1 ZINC000075288521 359141458 /nfs/dbraw/zinc/14/14/58/359141458.db2.gz APSPMQPBKCRLDJ-UHFFFAOYSA-N 0 0 210.664 2.474 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccon1 ZINC000247240708 359203354 /nfs/dbraw/zinc/20/33/54/359203354.db2.gz ZCAVDMUAONDKEQ-JFGNBEQYSA-N 0 0 234.299 2.468 50 0 BEAARN COC(=O)[C@H](C)Oc1ccccc1Cl ZINC000006521070 359874078 /nfs/dbraw/zinc/87/40/78/359874078.db2.gz FSLKEMBXNJKLCW-ZETCQYMHSA-N 0 0 214.648 2.280 50 0 BEAARN NC(=O)c1ccc(Oc2ccccc2N)cc1 ZINC000019845881 181301386 /nfs/dbraw/zinc/30/13/86/181301386.db2.gz SBIAVSLXOIHHQS-UHFFFAOYSA-N 0 0 228.251 2.160 50 0 BEAARN O=C1c2ccccc2C(=O)N1SC(F)(F)F ZINC000034485777 360459805 /nfs/dbraw/zinc/45/98/05/360459805.db2.gz CFNSRIIHFLPQCE-UHFFFAOYSA-N 0 0 247.197 2.451 50 0 BEAARN NC(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000013612061 181302124 /nfs/dbraw/zinc/30/21/24/181302124.db2.gz KBHFOWFHBHUVEU-UHFFFAOYSA-N 0 0 237.262 2.329 50 0 BEAARN O=c1c(-c2ccccc2)cnc2sccn21 ZINC000006677883 360568983 /nfs/dbraw/zinc/56/89/83/360568983.db2.gz QPNAIYZCIYSUIB-UHFFFAOYSA-N 0 0 228.276 2.423 50 0 BEAARN Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000006641504 360543845 /nfs/dbraw/zinc/54/38/45/360543845.db2.gz LHJUXZWAVZHIDP-JQWIXIFHSA-N 0 0 247.294 2.133 50 0 BEAARN O=C(CCc1ccccc1)NCC1(O)CCCC1 ZINC000036110420 360613239 /nfs/dbraw/zinc/61/32/39/360613239.db2.gz BTAGETQCILRXMP-UHFFFAOYSA-N 0 0 247.338 2.041 50 0 BEAARN CC1(C)COCCN1C(=O)NC1CCCCC1 ZINC000036102035 360599847 /nfs/dbraw/zinc/59/98/47/360599847.db2.gz ODPPHISCYYZTJS-UHFFFAOYSA-N 0 0 240.347 2.140 50 0 BEAARN Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000036155278 360680955 /nfs/dbraw/zinc/68/09/55/360680955.db2.gz HAVAPDJAUZXZEX-UHFFFAOYSA-N 0 0 240.310 2.326 50 0 BEAARN O=C(c1c[nH]c2ccccc12)N1CCSCC1 ZINC000036163384 360687791 /nfs/dbraw/zinc/68/77/91/360687791.db2.gz YEKDLJCLLWAMJY-UHFFFAOYSA-N 0 0 246.335 2.357 50 0 BEAARN NC(=O)c1cccnc1SC1CCCC1 ZINC000029360992 181307560 /nfs/dbraw/zinc/30/75/60/181307560.db2.gz YPUVLMIZBDUNFW-UHFFFAOYSA-N 0 0 222.313 2.215 50 0 BEAARN NC(=O)c1ccnc(Oc2ccccc2F)c1 ZINC000058167392 181307744 /nfs/dbraw/zinc/30/77/44/181307744.db2.gz CZJXSAOIVMAGNR-UHFFFAOYSA-N 0 0 232.214 2.112 50 0 BEAARN CC(C)=CC(=O)N[C@H](C)Cc1ccco1 ZINC000040510215 200661992 /nfs/dbraw/zinc/66/19/92/200661992.db2.gz VYTKLTREMINQFC-SNVBAGLBSA-N 0 0 207.273 2.293 50 0 BEAARN Cc1ccc(CN2C(=S)N=NC2C)cc1 ZINC000006788332 360790588 /nfs/dbraw/zinc/79/05/88/360790588.db2.gz RUINYNQLZXNSAN-UHFFFAOYSA-N 0 0 219.313 2.232 50 0 BEAARN CC(=O)N[C@@H]1c2ccccc2-c2ncccc21 ZINC000001387097 200650428 /nfs/dbraw/zinc/65/04/28/200650428.db2.gz UMYMSTJQBUWJAN-CQSZACIVSA-N 0 0 224.263 2.288 50 0 BEAARN C[C@H]1CCCCCN1C(=O)C1CCOCC1 ZINC000096406136 200731168 /nfs/dbraw/zinc/73/11/68/200731168.db2.gz NMFKDLIKBIUNLY-NSHDSACASA-N 0 0 225.332 2.204 50 0 BEAARN NC(=S)Cc1ccc(F)cc1Cl ZINC000000160585 181317118 /nfs/dbraw/zinc/31/71/18/181317118.db2.gz WPGSTNBGSBXLKT-UHFFFAOYSA-N 0 0 203.669 2.308 50 0 BEAARN NC(=S)Cc1ccc(Br)cc1 ZINC000019388503 181317734 /nfs/dbraw/zinc/31/77/34/181317734.db2.gz YAXPTWNWOBQNPG-UHFFFAOYSA-N 0 0 230.130 2.278 50 0 BEAARN NC(=S)Nc1ccc(Br)cc1F ZINC000012505969 181319922 /nfs/dbraw/zinc/31/99/22/181319922.db2.gz GOWRWGYTXLKMHG-UHFFFAOYSA-N 0 0 249.108 2.244 50 0 BEAARN NC(=S)c1cc(F)ccc1Br ZINC000083360530 181320234 /nfs/dbraw/zinc/32/02/34/181320234.db2.gz HEEWRSZKGCJXTN-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN NC(=S)c1cc(Br)cs1 ZINC000034961463 181320596 /nfs/dbraw/zinc/32/05/96/181320596.db2.gz NCTSBNPWZRWXBI-UHFFFAOYSA-N 0 0 222.132 2.145 50 0 BEAARN O=C1NCCCC[C@H]1Sc1ccc(O)cc1 ZINC000037995829 361069379 /nfs/dbraw/zinc/06/93/79/361069379.db2.gz RDDKVWATRCGXTO-LLVKDONJSA-N 0 0 237.324 2.153 50 0 BEAARN CC(C)COCCC(=O)Nc1nccs1 ZINC000036394587 361079823 /nfs/dbraw/zinc/07/98/23/361079823.db2.gz KIARBLHONOIULB-UHFFFAOYSA-N 0 0 228.317 2.144 50 0 BEAARN Oc1cccc(CN=Nc2ccc(Cl)nn2)c1 ZINC000013118458 361185314 /nfs/dbraw/zinc/18/53/14/361185314.db2.gz VHPREQPGRNUUEV-UHFFFAOYSA-N 0 0 248.673 2.282 50 0 BEAARN Fc1ccc(CNc2nncs2)cc1 ZINC000069965729 361231359 /nfs/dbraw/zinc/23/13/59/361231359.db2.gz TVAXXPCHEBYAHE-UHFFFAOYSA-N 0 0 209.249 2.289 50 0 BEAARN CCn1nc(-c2cccc(C)c2F)nc1N(C)C ZINC000426386490 200982862 /nfs/dbraw/zinc/98/28/62/200982862.db2.gz XSUPHPLPBXCHRF-UHFFFAOYSA-N 0 0 248.305 2.479 50 0 BEAARN Cc1n[nH]c(C)c1-c1nc(N(C)C)nc(C)c1C ZINC000426599039 200994665 /nfs/dbraw/zinc/99/46/65/200994665.db2.gz YJPPMLOCDRVWQP-UHFFFAOYSA-N 0 0 245.330 2.166 50 0 BEAARN [NH3+]C1(C(=O)[O-])CCC(c2ccccc2)CC1 ZINC000019503054 181329892 /nfs/dbraw/zinc/32/98/92/181329892.db2.gz TWAYLYPZRSXEOS-UHFFFAOYSA-N 0 0 219.284 2.126 50 0 biogenic BEAARN CCCc1nnc(SCc2cc(C)on2)[nH]1 ZINC000036700464 361385108 /nfs/dbraw/zinc/38/51/08/361385108.db2.gz ANLBKYSVPNOMDL-UHFFFAOYSA-N 0 0 238.316 2.346 50 0 BEAARN CCc1nc(C(=O)N(C(C)C)C2CCC2)c[nH]1 ZINC000170020924 361377529 /nfs/dbraw/zinc/37/75/29/361377529.db2.gz FGJYSXVTSRLLKU-UHFFFAOYSA-N 0 0 235.331 2.375 50 0 BEAARN CCc1cnc(C)nc1NCc1cnc(C)cn1 ZINC000065508137 361581801 /nfs/dbraw/zinc/58/18/01/361581801.db2.gz SFAKEEBJRSHFSO-UHFFFAOYSA-N 0 0 243.314 2.058 50 0 BEAARN CCc1ccc(-c2nsc(N)n2)cc1 ZINC000037117102 361682125 /nfs/dbraw/zinc/68/21/25/361682125.db2.gz ASWZZRDTZLKUDP-UHFFFAOYSA-N 0 0 205.286 2.350 50 0 BEAARN C/C=C/C=C\COC(=O)c1cccc(C(N)=O)c1 ZINC000252586551 363903895 /nfs/dbraw/zinc/90/38/95/363903895.db2.gz QTXDYBFLSSMJTN-IAROGAJJSA-N 0 0 245.278 2.075 50 0 BEAARN C[C@H]1CN(C(=O)C2=CCCCO2)C[C@H](C)S1 ZINC000074095029 541312449 /nfs/dbraw/zinc/31/24/49/541312449.db2.gz FZGQNEGDOUUSGZ-UWVGGRQHSA-N 0 0 241.356 2.033 50 0 BEAARN CC(=O)[C@H]1COc2cc(F)c(F)cc2C1 ZINC000675063333 541464595 /nfs/dbraw/zinc/46/45/95/541464595.db2.gz CIFJZGYSJGKJTN-MRVPVSSYSA-N 0 0 212.195 2.105 50 0 BEAARN O=C(Nc1ccncc1)N[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000257365113 541480697 /nfs/dbraw/zinc/48/06/97/541480697.db2.gz FRNSQXDSKQZOSF-GDNZZTSVSA-N 0 0 231.299 2.392 50 0 BEAARN Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)on1 ZINC000028575873 541499227 /nfs/dbraw/zinc/49/92/27/541499227.db2.gz PCJZXKDHLBYRDP-RKDXNWHRSA-N 0 0 222.288 2.101 50 0 BEAARN C[C@@H]1c2cccc(C(=O)N(C)C)c2O[C@H]1C ZINC000032820093 541502490 /nfs/dbraw/zinc/50/24/90/541502490.db2.gz NSSNZERKLFXAST-IUCAKERBSA-N 0 0 219.284 2.273 50 0 BEAARN Cc1cc(C)n(CCC(=O)N2CCC(C)CC2)n1 ZINC000032873732 541502644 /nfs/dbraw/zinc/50/26/44/541502644.db2.gz DQLXXPXZJKREFD-UHFFFAOYSA-N 0 0 249.358 2.149 50 0 BEAARN Nc1ccc(-c2nc3c(cccc3N)[nH]2)cc1 ZINC000000801193 368062136 /nfs/dbraw/zinc/06/21/36/368062136.db2.gz XIVODYIMJKASDB-UHFFFAOYSA-N 0 0 224.267 2.394 50 0 BEAARN Cc1cn2nc(Cl)cc(Br)c2n1 ZINC000117231966 368343398 /nfs/dbraw/zinc/34/33/98/368343398.db2.gz GHPOTUPEYXAOSM-UHFFFAOYSA-N 0 0 246.495 2.454 50 0 BEAARN CCOC(=O)CCc1ccc2cccnc2n1 ZINC000136292584 368344872 /nfs/dbraw/zinc/34/48/72/368344872.db2.gz UPYIYZSPMNLUPD-UHFFFAOYSA-N 0 0 230.267 2.126 50 0 BEAARN N#C[C@H](CO)c1ccc(Br)cc1 ZINC000142054866 368346340 /nfs/dbraw/zinc/34/63/40/368346340.db2.gz YESFFTQXAPAXNY-MRVPVSSYSA-N 0 0 226.073 2.049 50 0 BEAARN c1cc(-c2ccc(NC3CCCC3)nn2)n[nH]1 ZINC000067856302 368380997 /nfs/dbraw/zinc/38/09/97/368380997.db2.gz LOGTWRSALZGJCL-UHFFFAOYSA-N 0 0 229.287 2.221 50 0 BEAARN COc1ccc(OC(F)F)cc1C=O ZINC000080927263 368381751 /nfs/dbraw/zinc/38/17/51/368381751.db2.gz PDGQEIVPQXQOOT-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000114119878 368385982 /nfs/dbraw/zinc/38/59/82/368385982.db2.gz HUMJQOGXKFLZIK-VIFPVBQESA-N 0 0 229.320 2.014 50 0 BEAARN COCc1nc(-c2cnc3ccccc3c2)n[nH]1 ZINC000141481785 368392084 /nfs/dbraw/zinc/39/20/84/368392084.db2.gz JZGHQXLRYGLSDN-UHFFFAOYSA-N 0 0 240.266 2.166 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CO)C2 ZINC000141171707 368392940 /nfs/dbraw/zinc/39/29/40/368392940.db2.gz WPHYDBXMMSEFTR-JGPRNRPPSA-N 0 0 241.331 2.157 50 0 BEAARN c1nnc(COCc2ccccc2)s1 ZINC000142162197 368392982 /nfs/dbraw/zinc/39/29/82/368392982.db2.gz SLUAHUSAFURGLK-UHFFFAOYSA-N 0 0 206.270 2.255 50 0 BEAARN CCOC(=O)c1n[nH]c2c1CCC(C)(C)C2 ZINC000145779228 368394055 /nfs/dbraw/zinc/39/40/55/368394055.db2.gz JTFYBRYMPBDWKO-UHFFFAOYSA-N 0 0 222.288 2.101 50 0 BEAARN CCOc1cc(C)c2c(c1OC)C(=O)OC2 ZINC000221531245 368402819 /nfs/dbraw/zinc/40/28/19/368402819.db2.gz SMKHCXPYZDUKOL-UHFFFAOYSA-N 0 0 222.240 2.073 50 0 BEAARN C[C@H](NC(=O)c1c[nH]c2ncccc12)C1CC1 ZINC000064748416 368612995 /nfs/dbraw/zinc/61/29/95/368612995.db2.gz MGIHORUGUMSTKA-QMMMGPOBSA-N 0 0 229.283 2.091 50 0 BEAARN COCC1(CNC(=O)CCSC)CCCC1 ZINC000456876715 202985680 /nfs/dbraw/zinc/98/56/80/202985680.db2.gz GYAZUSCGNOQULD-UHFFFAOYSA-N 0 0 245.388 2.063 50 0 BEAARN Cc1ccc(Br)c2ccnn21 ZINC000238534267 369027304 /nfs/dbraw/zinc/02/73/04/369027304.db2.gz WISAPLGFPNNAIK-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CC(C)CCc1n[nH]c(CCCn2cccn2)n1 ZINC000584884337 369033168 /nfs/dbraw/zinc/03/31/68/369033168.db2.gz NMOJGZIHBGINBY-UHFFFAOYSA-N 0 0 247.346 2.223 50 0 BEAARN CC1(n2cnc3cccc(F)c3c2=O)CCC1 ZINC000584891483 369038218 /nfs/dbraw/zinc/03/82/18/369038218.db2.gz ZZWFQUBYYDHXFI-UHFFFAOYSA-N 0 0 232.258 2.435 50 0 BEAARN CCCOC[C@H]1CCN(C(=O)CCSC)C1 ZINC000584892245 369039881 /nfs/dbraw/zinc/03/98/81/369039881.db2.gz LZVJKNVMLXDPGF-NSHDSACASA-N 0 0 245.388 2.015 50 0 BEAARN COCCCC1CCN(C(=O)CSC)CC1 ZINC000584895352 369042114 /nfs/dbraw/zinc/04/21/14/369042114.db2.gz VIDINBQBEGFTHF-UHFFFAOYSA-N 0 0 245.388 2.015 50 0 BEAARN NNCc1c(F)ccc(Cl)c1Cl ZINC000096663685 181518097 /nfs/dbraw/zinc/51/80/97/181518097.db2.gz KUNOLHNNTWZYCT-UHFFFAOYSA-N 0 0 209.051 2.096 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000001506921 181536983 /nfs/dbraw/zinc/53/69/83/181536983.db2.gz AMRNUEMIMYEDBK-ZQMDXNIRSA-N 0 0 223.316 2.005 50 0 BEAARN CCCCS[C@@H](C)C(=O)N[C@@H](C)CCCO ZINC000079095194 371180995 /nfs/dbraw/zinc/18/09/95/371180995.db2.gz YWEXSDCGVKLIMP-QWRGUYRKSA-N 0 0 247.404 2.185 50 0 BEAARN Cn1cc(CNc2cc(F)cc(F)c2)cn1 ZINC000020075202 371228289 /nfs/dbraw/zinc/22/82/89/371228289.db2.gz SZXCPLUNZBIPNU-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN COCC(=O)N[C@H](C)Cc1cc2ccccc2o1 ZINC000390826049 371237667 /nfs/dbraw/zinc/23/76/67/371237667.db2.gz ALWZLKQVTDNSDA-SNVBAGLBSA-N 0 0 247.294 2.126 50 0 BEAARN CC[C@@H](c1ccncc1)N(CC)C(=O)NC ZINC000095399961 371279245 /nfs/dbraw/zinc/27/92/45/371279245.db2.gz QHABNTWVNWEVNR-NSHDSACASA-N 0 0 221.304 2.194 50 0 BEAARN Nc1c2nonc2c(Cl)cc1N1CCCC1 ZINC000002436342 181671313 /nfs/dbraw/zinc/67/13/13/181671313.db2.gz BFOMXSQDGCECRY-UHFFFAOYSA-N 0 0 238.678 2.059 50 0 BEAARN Cc1noc2ncnc(NC3CCCC3)c12 ZINC000020941900 371354304 /nfs/dbraw/zinc/35/43/04/371354304.db2.gz NDSHDWKGCBRJQL-UHFFFAOYSA-N 0 0 218.260 2.281 50 0 BEAARN C[C@H](CC(=O)Nc1ccccc1)n1cccn1 ZINC000020991047 371356597 /nfs/dbraw/zinc/35/65/97/371356597.db2.gz OWNRGKFEEKZUEA-LLVKDONJSA-N 0 0 229.283 2.473 50 0 BEAARN Cc1ccc(NC(=O)CCn2cccc2)nc1 ZINC000021016393 371357793 /nfs/dbraw/zinc/35/77/93/371357793.db2.gz ICPYLDBRTYGOFB-UHFFFAOYSA-N 0 0 229.283 2.220 50 0 BEAARN Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000035309353 181744058 /nfs/dbraw/zinc/74/40/58/181744058.db2.gz HBPCCGVNCORBGU-UHFFFAOYSA-N 0 0 247.319 2.243 50 0 BEAARN Nc1ccccc1-n1ccc(C(F)(F)F)n1 ZINC000012395361 181751446 /nfs/dbraw/zinc/75/14/46/181751446.db2.gz DYEOSKFGQSXNTN-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000020580604 181754580 /nfs/dbraw/zinc/75/45/80/181754580.db2.gz SYUUHJVWQMFSRO-UHFFFAOYSA-N 0 0 247.319 2.243 50 0 BEAARN Nc1ccccc1Sc1ncccn1 ZINC000019869607 181758689 /nfs/dbraw/zinc/75/86/89/181758689.db2.gz QJNIKBSUZMROQJ-UHFFFAOYSA-N 0 0 203.270 2.210 50 0 BEAARN CCCc1cc(C(=O)NCc2ccco2)no1 ZINC000002498040 371560672 /nfs/dbraw/zinc/56/06/72/371560672.db2.gz OSYLCPULEZWINS-UHFFFAOYSA-N 0 0 234.255 2.150 50 0 BEAARN Cc1ccc2nc(Cl)c3nncn3c2c1 ZINC000002499448 371560806 /nfs/dbraw/zinc/56/08/06/371560806.db2.gz PREVWXCYQSQVIM-UHFFFAOYSA-N 0 0 218.647 2.239 50 0 BEAARN CCCC[C@H](C)C(=O)N1CC(C(C)(C)O)C1 ZINC000225736456 371573154 /nfs/dbraw/zinc/57/31/54/371573154.db2.gz WQVSPWGKOBIQSE-JTQLQIEISA-N 0 0 227.348 2.042 50 0 BEAARN Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000002574044 181775620 /nfs/dbraw/zinc/77/56/20/181775620.db2.gz YREUPBBWTZDQPA-UHFFFAOYSA-N 0 0 218.281 2.327 50 0 BEAARN Nc1nc(-c2ccccc2Cl)ns1 ZINC000020388113 181777617 /nfs/dbraw/zinc/77/76/17/181777617.db2.gz MFNFEBRFRBJSDW-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Nc1cnn(Cc2c(F)cccc2Cl)c1 ZINC000002534283 181771830 /nfs/dbraw/zinc/77/18/30/181771830.db2.gz HYJAGOFBRGJEHP-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN Nc1nc(Cl)ccc1Br ZINC000064033987 181783863 /nfs/dbraw/zinc/78/38/63/181783863.db2.gz OSFDXYVWIQEZHA-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Nc1nccc(-c2sccc2Cl)n1 ZINC000000168121 181799658 /nfs/dbraw/zinc/79/96/58/181799658.db2.gz WDEVLKIHBBWXEN-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Nc1nccc(-c2cccc(-c3cc[nH]n3)c2)n1 ZINC000019740540 181799756 /nfs/dbraw/zinc/79/97/56/181799756.db2.gz BTEKBBVBVFDXAP-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN Nc1ncnc2sc3c(c21)CCCC3 ZINC000000078174 181810870 /nfs/dbraw/zinc/81/08/70/181810870.db2.gz QXPQVUQBEBHHQP-UHFFFAOYSA-N 0 0 205.286 2.152 50 0 BEAARN Nc1ncncc1-c1ccc(Cl)cc1 ZINC000000117248 181811381 /nfs/dbraw/zinc/81/13/81/181811381.db2.gz KGDRSRGXGBIWDQ-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN C=CS(=O)(=O)Oc1ccc(Cl)cc1 ZINC000003108227 371874924 /nfs/dbraw/zinc/87/49/24/371874924.db2.gz IBSQGRPUEMBWMQ-UHFFFAOYSA-N 0 0 218.661 2.192 50 0 BEAARN Cc1cnc(C(=O)Nc2ccccc2F)cn1 ZINC000003270406 371939954 /nfs/dbraw/zinc/93/99/54/371939954.db2.gz GKYXKCYNYGMLAF-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN CC(=O)NCCC(=O)Oc1c(C)ccc(C)c1C ZINC000003374223 371977516 /nfs/dbraw/zinc/97/75/16/371977516.db2.gz IATBXDUYFZTFSJ-UHFFFAOYSA-N 0 0 249.310 2.043 50 0 BEAARN O=C(/C=C/c1cccs1)Nc1nncs1 ZINC000003209321 181845131 /nfs/dbraw/zinc/84/51/31/181845131.db2.gz HGXRCVYBSRAKOW-ONEGZZNKSA-N 0 0 237.309 2.252 50 0 BEAARN O=C(/C=C\c1cccs1)NCC(F)(F)F ZINC000096753179 181851548 /nfs/dbraw/zinc/85/15/48/181851548.db2.gz FNZLCLGMKLPMIT-ARJAWSKDSA-N 0 0 235.230 2.440 50 0 BEAARN Cc1nc(CNc2cc3c(cc2C)OCO3)c[nH]1 ZINC000032503392 372199860 /nfs/dbraw/zinc/19/98/60/372199860.db2.gz NERJSOGPSRUONE-UHFFFAOYSA-N 0 0 245.282 2.367 50 0 BEAARN O=C(c1ccc(O)cc1[O-])c1ccccc1F ZINC000032502191 372200200 /nfs/dbraw/zinc/20/02/00/372200200.db2.gz PFRNIAXGPNTGEG-UHFFFAOYSA-N 0 0 232.210 2.468 50 0 BEAARN CCCCN1c2ccccc2[C@H](NC(C)=O)C1=O ZINC000002406222 168824616 /nfs/dbraw/zinc/82/46/16/168824616.db2.gz QFVSBYNVUSUVQY-ZDUSSCGKSA-N 0 0 246.310 2.011 50 0 BEAARN C[C@H](CN(C)c1ccccc1)NC(=O)C1CC1 ZINC000066456325 372301942 /nfs/dbraw/zinc/30/19/42/372301942.db2.gz UBEOKMPGXBVCCW-LLVKDONJSA-N 0 0 232.327 2.038 50 0 BEAARN O=C(CCC1OCCCO1)c1ccccc1 ZINC000002581199 181907661 /nfs/dbraw/zinc/90/76/61/181907661.db2.gz BMMLPRAKMUDLCT-UHFFFAOYSA-N 0 0 220.268 2.413 50 0 BEAARN CONC(=O)/C=C(/C)c1ccccc1Cl ZINC000066607401 372528676 /nfs/dbraw/zinc/52/86/76/372528676.db2.gz ZCMMZLKFMQNNGX-FPLPWBNLSA-N 0 0 225.675 2.421 50 0 BEAARN O=C(CCc1ccc(F)cc1)NC1CC1 ZINC000062061592 181929152 /nfs/dbraw/zinc/92/91/52/181929152.db2.gz YPKMPYLPNKONAR-UHFFFAOYSA-N 0 0 207.248 2.037 50 0 BEAARN O=C(CCc1ccccc1)NO[C@@H]1CCCCO1 ZINC000063991131 181930312 /nfs/dbraw/zinc/93/03/12/181930312.db2.gz CJRSLHUITQFYDG-CQSZACIVSA-N 0 0 249.310 2.194 50 0 BEAARN O=C(CCc1ccccc1)NO[C@H]1CCCCO1 ZINC000063991132 181930406 /nfs/dbraw/zinc/93/04/06/181930406.db2.gz CJRSLHUITQFYDG-AWEZNQCLSA-N 0 0 249.310 2.194 50 0 BEAARN Cc1nc(C(=O)OCc2ccccn2)cs1 ZINC000066959810 372614352 /nfs/dbraw/zinc/61/43/52/372614352.db2.gz BLDKTYUKXZUNEG-UHFFFAOYSA-N 0 0 234.280 2.204 50 0 BEAARN O=C(CN1CCCC1)c1ccccc1F ZINC000005866885 181959474 /nfs/dbraw/zinc/95/94/74/181959474.db2.gz IQLWNVMNVMDEBR-UHFFFAOYSA-N 0 0 207.248 2.104 50 0 BEAARN CC(C)(C)OCCONC(=O)C1CCCC1 ZINC000067448996 372787437 /nfs/dbraw/zinc/78/74/37/372787437.db2.gz QXDOPUPIIKLGAZ-UHFFFAOYSA-N 0 0 229.320 2.040 50 0 BEAARN CCCCC(=O)c1c(C)cc(C)[nH]c1=O ZINC000008625181 372814460 /nfs/dbraw/zinc/81/44/60/372814460.db2.gz CDMINUMLDWBDST-UHFFFAOYSA-N 0 0 207.273 2.365 50 0 BEAARN O=C(c1ccno1)N1CC[C@@H](c2ccccc2)C1 ZINC000038935572 372817733 /nfs/dbraw/zinc/81/77/33/372817733.db2.gz DPUAWVNPAOZTRN-GFCCVEGCSA-N 0 0 242.278 2.304 50 0 BEAARN O=C(CO)Nc1ccccc1Nc1ccccc1 ZINC000095992149 181990234 /nfs/dbraw/zinc/99/02/34/181990234.db2.gz YTQKBRYTIVNUTH-UHFFFAOYSA-N 0 0 242.278 2.361 50 0 BEAARN O=C(COc1cccc(F)c1)N1CCCCC1 ZINC000032942961 182001812 /nfs/dbraw/zinc/00/18/12/182001812.db2.gz KIRRZLGMOKJSEQ-UHFFFAOYSA-N 0 0 237.274 2.217 50 0 BEAARN O=C(COc1ccccc1F)Nc1cccnc1 ZINC000012562011 182002813 /nfs/dbraw/zinc/00/28/13/182002813.db2.gz DLFWLANEGYUDJW-UHFFFAOYSA-N 0 0 246.241 2.238 50 0 BEAARN O=C(CSc1ccc(F)cc1F)NC1CC1 ZINC000060994825 182009520 /nfs/dbraw/zinc/00/95/20/182009520.db2.gz ILKPQFKHWQUFIO-UHFFFAOYSA-N 0 0 243.278 2.336 50 0 BEAARN O=C(CSCc1ccccc1)N1CCC1 ZINC000069383381 182009556 /nfs/dbraw/zinc/00/95/56/182009556.db2.gz RTHPNLJYLPDMLY-UHFFFAOYSA-N 0 0 221.325 2.152 50 0 BEAARN O=C(CSc1ccc(O)cc1)N1CCCC1 ZINC000038078738 182009832 /nfs/dbraw/zinc/00/98/32/182009832.db2.gz XRTGEUKUEYZKDX-UHFFFAOYSA-N 0 0 237.324 2.107 50 0 BEAARN O=C(CSc1ncccn1)Nc1ccccc1 ZINC000000128077 182011151 /nfs/dbraw/zinc/01/11/51/182011151.db2.gz HZSCIMKDZKAHBR-UHFFFAOYSA-N 0 0 245.307 2.207 50 0 BEAARN O=C(C[C@@H]1C=CCC1)Nc1ccncc1 ZINC000032819140 182015203 /nfs/dbraw/zinc/01/52/03/182015203.db2.gz SRPDNMXLDOYNEE-SNVBAGLBSA-N 0 0 202.257 2.376 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000008803821 372902642 /nfs/dbraw/zinc/90/26/42/372902642.db2.gz PMYUSYBOZKELAW-UHFFFAOYSA-N 0 0 232.283 2.166 50 0 BEAARN O=C(Cc1c[nH]c2ncccc12)N1CCCCC1 ZINC000075337097 182033361 /nfs/dbraw/zinc/03/33/61/182033361.db2.gz VDWJCDCRAXGNQL-UHFFFAOYSA-N 0 0 243.310 2.118 50 0 BEAARN O=C(Cc1c[nH]c2ccccc12)NCC1CC1 ZINC000032906072 182032977 /nfs/dbraw/zinc/03/29/77/182032977.db2.gz UEOZDERXSAKVDI-UHFFFAOYSA-N 0 0 228.295 2.237 50 0 BEAARN O=C(C[C@H]1C=CCC1)Nc1nccs1 ZINC000012872723 182025628 /nfs/dbraw/zinc/02/56/28/182025628.db2.gz DEDWOJGGNGNSBV-QMMMGPOBSA-N 0 0 208.286 2.438 50 0 BEAARN O=Cc1ccc(Br)cc1C=O ZINC000039435511 372971584 /nfs/dbraw/zinc/97/15/84/372971584.db2.gz OJHBLBWMMQBLFD-UHFFFAOYSA-N 0 0 213.030 2.074 50 0 BEAARN O=C(Cc1ccccc1)Nc1ccccn1 ZINC000000335282 182044307 /nfs/dbraw/zinc/04/43/07/182044307.db2.gz IDHXNKFHHLBOJE-UHFFFAOYSA-N 0 0 212.252 2.263 50 0 BEAARN Cc1ccc2c(C)cc(-n3cncn3)nc2c1 ZINC000039931957 373062930 /nfs/dbraw/zinc/06/29/30/373062930.db2.gz HEVQFLJRQRKBCV-UHFFFAOYSA-N 0 0 224.267 2.432 50 0 BEAARN O=C(Cc1ccsc1)Nc1ccncc1 ZINC000025323331 182059119 /nfs/dbraw/zinc/05/91/19/182059119.db2.gz OEZGWFGBQAEYLJ-UHFFFAOYSA-N 0 0 218.281 2.324 50 0 BEAARN C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C1CC1 ZINC000040040037 373094522 /nfs/dbraw/zinc/09/45/22/373094522.db2.gz QJQWXCIPMQAMQT-KYTZWMPUSA-N 0 0 249.354 2.297 50 0 BEAARN O=C(c1cccnc1)N(Cc1ccco1)C1CC1 ZINC000040060344 373099934 /nfs/dbraw/zinc/09/99/34/373099934.db2.gz SSNUDQSBGRYGSY-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN Cc1nonc1NC(=O)c1ccc(Cl)cc1 ZINC000008915133 373100227 /nfs/dbraw/zinc/10/02/27/373100227.db2.gz ASJJNAORLRYSNU-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN CON(C)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000040080008 373104315 /nfs/dbraw/zinc/10/43/15/373104315.db2.gz RNQUZRBTMHZMIB-UHFFFAOYSA-N 0 0 244.294 2.040 50 0 BEAARN Cc1csc(NC(=O)CCOCC(C)C)n1 ZINC000040093403 373105767 /nfs/dbraw/zinc/10/57/67/373105767.db2.gz RKTFKUUKZZGPLG-UHFFFAOYSA-N 0 0 242.344 2.453 50 0 BEAARN O=C(Cn1cccn1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000032903896 182068162 /nfs/dbraw/zinc/06/81/62/182068162.db2.gz CUXQUDCXAPCFDD-STQMWFEESA-N 0 0 247.342 2.064 50 0 BEAARN COCc1cccc(CNC(=O)CC(C)C)c1 ZINC000040108428 373107557 /nfs/dbraw/zinc/10/75/57/373107557.db2.gz JRNLNYOZKQWNGS-UHFFFAOYSA-N 0 0 235.327 2.495 50 0 BEAARN O=C(Cn1nnc2ccccc21)c1ccccc1 ZINC000000233136 182074570 /nfs/dbraw/zinc/07/45/70/182074570.db2.gz CGJMVBVILLBOKQ-UHFFFAOYSA-N 0 0 237.262 2.314 50 0 BEAARN Cc1cccc(OC(F)F)c1NC(N)=O ZINC000069328812 373223440 /nfs/dbraw/zinc/22/34/40/373223440.db2.gz ZSHYDXAILRKEBQ-UHFFFAOYSA-N 0 0 216.187 2.087 50 0 BEAARN CC(=O)CSc1nncc2ccccc21 ZINC000003299353 205458513 /nfs/dbraw/zinc/45/85/13/205458513.db2.gz DHPMVTBZBLGWPZ-UHFFFAOYSA-N 0 0 218.281 2.311 50 0 BEAARN O=C(NC1=NCCS1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000002737099 182093617 /nfs/dbraw/zinc/09/36/17/182093617.db2.gz KRMDOGUODZDKRY-GHMZBOCLSA-N 0 0 246.335 2.009 50 0 BEAARN O=C(NC1=NCCS1)c1ccc2c(c1)CCC2 ZINC000008338355 182094003 /nfs/dbraw/zinc/09/40/03/182094003.db2.gz XSWHCVYDAXWOMH-UHFFFAOYSA-N 0 0 246.335 2.008 50 0 BEAARN O=C(NC1(C(F)F)CC1)c1ccsc1 ZINC000336632333 182089715 /nfs/dbraw/zinc/08/97/15/182089715.db2.gz WTKBPGRPHORADK-UHFFFAOYSA-N 0 0 217.240 2.276 50 0 BEAARN O=C(NC1CC1)c1sccc1-n1cccc1 ZINC000006244352 182102624 /nfs/dbraw/zinc/10/26/24/182102624.db2.gz IZHGQMHMVMBGBH-UHFFFAOYSA-N 0 0 232.308 2.431 50 0 BEAARN CC(C)(C)CC(=O)NCCc1ccccn1 ZINC000040480684 373304203 /nfs/dbraw/zinc/30/42/03/373304203.db2.gz DMGXWTSZDUFKGM-UHFFFAOYSA-N 0 0 220.316 2.177 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)CCn1cccn1 ZINC000069452648 373280349 /nfs/dbraw/zinc/28/03/49/373280349.db2.gz GMSYSRXESPTOEW-GFCCVEGCSA-N 0 0 235.331 2.064 50 0 BEAARN O=C(NC1CC1)c1cc2ccccc2[nH]1 ZINC000014796789 182099428 /nfs/dbraw/zinc/09/94/28/182099428.db2.gz TUNKGZSCYRKABZ-UHFFFAOYSA-N 0 0 200.241 2.060 50 0 BEAARN O=C(NC1CC1)c1ccc(Br)s1 ZINC000002762522 182099993 /nfs/dbraw/zinc/09/99/93/182099993.db2.gz CKUIKZGELFOICR-UHFFFAOYSA-N 0 0 246.129 2.403 50 0 BEAARN O=C(NC1CCCC1)c1cccc(O)c1 ZINC000019837239 182110784 /nfs/dbraw/zinc/11/07/84/182110784.db2.gz FXLPXIGIQZTRHJ-UHFFFAOYSA-N 0 0 205.257 2.065 50 0 BEAARN O=C(NCC(F)(F)F)c1cc(Cl)ccn1 ZINC000036804737 182123628 /nfs/dbraw/zinc/12/36/28/182123628.db2.gz IOPYEKQGPJVSAV-UHFFFAOYSA-N 0 0 238.596 2.027 50 0 BEAARN CC(C)(C)CCNC(=O)CC[C@@H]1CCCO1 ZINC000040514200 373415475 /nfs/dbraw/zinc/41/54/75/373415475.db2.gz SDTIKJZHIBJWIN-NSHDSACASA-N 0 0 227.348 2.498 50 0 BEAARN Cc1cnc(NC(=O)Cc2ccc(C)nc2)s1 ZINC000040554600 373492218 /nfs/dbraw/zinc/49/22/18/373492218.db2.gz BJARRYFQEYCXKG-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN CCCCNC(=O)Cc1nc2ccccc2[nH]1 ZINC000003888144 168847818 /nfs/dbraw/zinc/84/78/18/168847818.db2.gz GACXFDYWYZDBMR-UHFFFAOYSA-N 0 0 231.299 2.022 50 0 BEAARN O=C(NCCCO)c1cc2ccccc2s1 ZINC000035115463 182170669 /nfs/dbraw/zinc/17/06/69/182170669.db2.gz ASGSELPQYSLUDU-UHFFFAOYSA-N 0 0 235.308 2.014 50 0 BEAARN Cn1c(C(=O)Nc2ccon2)cc2sccc21 ZINC000040805810 373751672 /nfs/dbraw/zinc/75/16/72/373751672.db2.gz LOHZCNOTKCJXST-UHFFFAOYSA-N 0 0 247.279 2.480 50 0 BEAARN O=C(NCCO)c1ccccc1-c1ccccc1 ZINC000002844505 182193165 /nfs/dbraw/zinc/19/31/65/182193165.db2.gz ITKNKUTZKHIHNY-UHFFFAOYSA-N 0 0 241.290 2.076 50 0 BEAARN O=C(NCCc1ccccn1)Nc1ccccc1 ZINC000024367110 182205729 /nfs/dbraw/zinc/20/57/29/182205729.db2.gz SZOPTIPQFBEPSR-UHFFFAOYSA-N 0 0 241.294 2.446 50 0 BEAARN O=C(NCCc1ccccn1)c1ccsc1 ZINC000025170067 182206358 /nfs/dbraw/zinc/20/63/58/182206358.db2.gz OEJQSUASICGKBC-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN O=C(NCCSC(F)(F)F)c1ccco1 ZINC000058308873 182197551 /nfs/dbraw/zinc/19/75/51/182197551.db2.gz IGOHMOHVLVRTJW-UHFFFAOYSA-N 0 0 239.218 2.262 50 0 BEAARN O=C(NCCc1ccccc1F)c1cccnc1 ZINC000012976848 182204279 /nfs/dbraw/zinc/20/42/79/182204279.db2.gz SEONKVQRCBZYEZ-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1cccs1)C1CCC1 ZINC000040160168 182207142 /nfs/dbraw/zinc/20/71/42/182207142.db2.gz WXMOSSYJAQPDHI-UHFFFAOYSA-N 0 0 209.314 2.207 50 0 BEAARN O=C(NC[C@@H](O)c1ccccc1)[C@H]1CC=CCC1 ZINC000032845121 182222096 /nfs/dbraw/zinc/22/20/96/182222096.db2.gz IWEHXKKMCRZEBO-UONOGXRCSA-N 0 0 245.322 2.193 50 0 BEAARN O=C(c1ccccc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000041194607 374117954 /nfs/dbraw/zinc/11/79/54/374117954.db2.gz CVTYJDOOFJNMQB-KGLIPLIRSA-N 0 0 245.322 2.470 50 0 BEAARN Cc1ccc(CN2CCO[C@@H](C)C2)cc1 ZINC000041194281 374118939 /nfs/dbraw/zinc/11/89/39/374118939.db2.gz JNQSTZSGHMZICE-LBPRGKRZSA-N 0 0 205.301 2.216 50 0 BEAARN CCCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041194519 374118992 /nfs/dbraw/zinc/11/89/92/374118992.db2.gz XIYDXOVBCWBWIY-VXGBXAGGSA-N 0 0 225.332 2.347 50 0 BEAARN O=C(NC[C@H](O)c1ccccc1)c1cccs1 ZINC000000152706 182233888 /nfs/dbraw/zinc/23/38/88/182233888.db2.gz SODWLFGVFNKBBJ-NSHDSACASA-N 0 0 247.319 2.212 50 0 BEAARN COc1ccccc1NC(=O)[C@@H]1C[C@H]1C ZINC000009457946 374134512 /nfs/dbraw/zinc/13/45/12/374134512.db2.gz LFVZNOLLHASXJZ-RKDXNWHRSA-N 0 0 205.257 2.290 50 0 BEAARN O=C(NC[C@H]1CCCO1)Nc1cccc(F)c1 ZINC000006731424 182239518 /nfs/dbraw/zinc/23/95/18/182239518.db2.gz BYFYDGGUVSTJLD-LLVKDONJSA-N 0 0 238.262 2.126 50 0 BEAARN Fc1ccc2ncnc(NC3CC3)c2c1 ZINC000041470856 374141613 /nfs/dbraw/zinc/14/16/13/374141613.db2.gz MASZTMRCUWDKKM-UHFFFAOYSA-N 0 0 203.220 2.343 50 0 BEAARN O=C(Oc1ccccn1)c1ccc(F)cc1 ZINC000009554180 374149193 /nfs/dbraw/zinc/14/91/93/374149193.db2.gz SRNQEIBMKDWZKK-UHFFFAOYSA-N 0 0 217.199 2.440 50 0 BEAARN CNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000009613823 374178655 /nfs/dbraw/zinc/17/86/55/374178655.db2.gz ADIJAAMCCCZNTR-UHFFFAOYSA-N 0 0 249.241 2.357 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1ccccc1O ZINC000007345745 182249708 /nfs/dbraw/zinc/24/97/08/182249708.db2.gz WADVWWCQYOTSLI-UHFFFAOYSA-N 0 0 245.253 2.461 50 0 BEAARN O=C(NCc1ccco1)c1cc(F)ccc1F ZINC000016624738 182263365 /nfs/dbraw/zinc/26/33/65/182263365.db2.gz YHZRBIAOTMGJSY-UHFFFAOYSA-N 0 0 237.205 2.488 50 0 BEAARN O=C(NCc1ccco1)c1noc2c1CCCC2 ZINC000000426312 182263430 /nfs/dbraw/zinc/26/34/30/182263430.db2.gz HPAJGIAAIFOYRC-UHFFFAOYSA-N 0 0 246.266 2.076 50 0 BEAARN CC(C)(C)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000010109463 374274625 /nfs/dbraw/zinc/27/46/25/374274625.db2.gz URUVPFBPFGODQH-UHFFFAOYSA-N 0 0 249.282 2.042 50 0 BEAARN O=C(NCc1cccnc1)c1ccsc1 ZINC000011692887 182260437 /nfs/dbraw/zinc/26/04/37/182260437.db2.gz NJWUDQIXJBWNKS-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1cccnc1)c1cccs1 ZINC000000290787 182260770 /nfs/dbraw/zinc/26/07/70/182260770.db2.gz GADQYRUFAGMMMB-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1cccnc1)c1ccc(F)c(F)c1 ZINC000016650124 182261148 /nfs/dbraw/zinc/26/11/48/182261148.db2.gz CRPBHZIEVCOZHY-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1cccnc1)c1c(F)cccc1F ZINC000006276462 182261178 /nfs/dbraw/zinc/26/11/78/182261178.db2.gz APHRIPMVUHERDG-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN CCc1ccc(CCC(=O)N(C)C)cc1 ZINC000010338994 374291423 /nfs/dbraw/zinc/29/14/23/374291423.db2.gz MOZJTKCXPVFRDL-UHFFFAOYSA-N 0 0 205.301 2.270 50 0 BEAARN O=C(NCc1ccsc1)c1cc(C2CC2)n[nH]1 ZINC000020119141 182268521 /nfs/dbraw/zinc/26/85/21/182268521.db2.gz HCVFYNXIMQLMDF-UHFFFAOYSA-N 0 0 247.323 2.279 50 0 BEAARN COc1ccc(-c2ccc(C(=O)N(C)C)o2)cn1 ZINC000426424388 206048283 /nfs/dbraw/zinc/04/82/83/206048283.db2.gz RFNNZVVUSBEFJY-UHFFFAOYSA-N 0 0 246.266 2.052 50 0 BEAARN Nc1nc2nc[nH]c2c(C=CC2CCCCC2)n1 ZINC000426563486 206050117 /nfs/dbraw/zinc/05/01/17/206050117.db2.gz PZSYTRKZTASRNO-VOTSOKGWSA-N 0 0 243.314 2.311 50 0 BEAARN Cc1ccc(-c2nc(N(C)C)n(C)n2)cc1C ZINC000426550654 206051801 /nfs/dbraw/zinc/05/18/01/206051801.db2.gz PZMUDXAWEYGROA-UHFFFAOYSA-N 0 0 230.315 2.165 50 0 BEAARN CCCCNC(=O)c1ccc(OC)cc1 ZINC000003152149 168862795 /nfs/dbraw/zinc/86/27/95/168862795.db2.gz PCJWVQUPHYPGIE-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN O=C(N[C@H]1CC(=O)c2sccc21)c1ccco1 ZINC000001386536 182326147 /nfs/dbraw/zinc/32/61/47/182326147.db2.gz ZZQYRIKPPYZHHC-QMMMGPOBSA-N 0 0 247.275 2.399 50 0 BEAARN CCCCNc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000004545592 168865080 /nfs/dbraw/zinc/86/50/80/168865080.db2.gz NKMOOJXLJGAKCO-UHFFFAOYSA-N 0 0 231.299 2.127 50 0 BEAARN O=C(Nc1cc[nH]n1)Nc1cc(F)cc(F)c1 ZINC000089765108 182350394 /nfs/dbraw/zinc/35/03/94/182350394.db2.gz AEXJQHDDQFVJGG-UHFFFAOYSA-N 0 0 238.197 2.332 50 0 BEAARN O=C(Nc1cc[nH]n1)C1CCC(F)(F)CC1 ZINC000127112218 182351748 /nfs/dbraw/zinc/35/17/48/182351748.db2.gz HRZJDEOHLJKJBZ-UHFFFAOYSA-N 0 0 229.230 2.174 50 0 BEAARN O=C(Nc1ccc(-n2ccnc2)nc1)C1CCC1 ZINC000028093327 182351752 /nfs/dbraw/zinc/35/17/52/182351752.db2.gz XOLGMCGMVBJJMB-UHFFFAOYSA-N 0 0 242.282 2.006 50 0 BEAARN O=C(Nc1ccc(Cl)cn1)c1ccncc1 ZINC000001505317 182353611 /nfs/dbraw/zinc/35/36/11/182353611.db2.gz XVBTWUASZKBEPC-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc(Cl)cc1O)c1cnccn1 ZINC000095974017 182354171 /nfs/dbraw/zinc/35/41/71/182354171.db2.gz AQWVGTNIGZCVSE-UHFFFAOYSA-N 0 0 249.657 2.088 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1)c1cnccn1 ZINC000000442552 182355805 /nfs/dbraw/zinc/35/58/05/182355805.db2.gz RUSPMRCKBWDEQH-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1c(F)cc(F)cc1F)C1CC1 ZINC000088724027 182347261 /nfs/dbraw/zinc/34/72/61/182347261.db2.gz HHGBMMNVGQOYHN-UHFFFAOYSA-N 0 0 215.174 2.452 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1c[nH]cn1 ZINC000013132387 182367865 /nfs/dbraw/zinc/36/78/65/182367865.db2.gz SLGHCWAHCAQQCA-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1ccc(O)cc1F)c1ccco1 ZINC000082879392 182360935 /nfs/dbraw/zinc/36/09/35/182360935.db2.gz ZEWUDPRGKDTREL-UHFFFAOYSA-N 0 0 221.187 2.377 50 0 BEAARN O=C(Nc1ccc(O)cc1)c1ccc(O)cc1 ZINC000000552816 182360951 /nfs/dbraw/zinc/36/09/51/182360951.db2.gz WCTPJCYSFNTVKJ-UHFFFAOYSA-N 0 0 229.235 2.350 50 0 BEAARN O=C(Nc1ccc(O)cc1)c1ccco1 ZINC000000193543 182361055 /nfs/dbraw/zinc/36/10/55/182361055.db2.gz DGVKXCATWIGAIF-UHFFFAOYSA-N 0 0 203.197 2.238 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)c1cccnc1 ZINC000003159746 182365007 /nfs/dbraw/zinc/36/50/07/182365007.db2.gz SDYHQJBFKVUTEF-UHFFFAOYSA-N 0 0 242.234 2.063 50 0 BEAARN O=C(Nc1ccc2ccccc2c1)c1nc[nH]n1 ZINC000000052635 182365078 /nfs/dbraw/zinc/36/50/78/182365078.db2.gz XDXBRZKTGRSWGQ-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ccc2nsnc2c1)N1CCCC1 ZINC000000313666 182366840 /nfs/dbraw/zinc/36/68/40/182366840.db2.gz KCSOUABDVYEPIT-UHFFFAOYSA-N 0 0 248.311 2.319 50 0 BEAARN O=C(Nc1cccc2ncccc21)[C@@H]1CCCO1 ZINC000005770069 182375188 /nfs/dbraw/zinc/37/51/88/182375188.db2.gz GGNKQRLCIGPBLB-ZDUSSCGKSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1ccccc1)NC1CCC(O)CC1 ZINC000012865084 182375673 /nfs/dbraw/zinc/37/56/73/182375673.db2.gz YSFCBGJWXIOABB-UHFFFAOYSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccccc1)N[C@@H]1CCC[C@H](O)C1 ZINC000075156797 182375831 /nfs/dbraw/zinc/37/58/31/182375831.db2.gz WDNXBNRDYJIYLR-NEPJUHHUSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccccc1)N1CCSCC1 ZINC000000355687 182376203 /nfs/dbraw/zinc/37/62/03/182376203.db2.gz KEZCCMZQRAUQIU-UHFFFAOYSA-N 0 0 222.313 2.267 50 0 BEAARN O=C(Nc1ccccc1Cl)c1csnn1 ZINC000011914758 182379242 /nfs/dbraw/zinc/37/92/42/182379242.db2.gz NUJOIVVDMRGXCF-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=C(Nc1ccccc1)c1ccc2n[nH]nc2c1 ZINC000012535220 182377797 /nfs/dbraw/zinc/37/77/97/182377797.db2.gz QGJUFKXPWDTDEX-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1cccc(F)c1)c1ccc(=O)oc1 ZINC000000551788 182370158 /nfs/dbraw/zinc/37/01/58/182370158.db2.gz OVUGHAQWRDNWKG-UHFFFAOYSA-N 0 0 233.198 2.031 50 0 BEAARN O=C(Nc1ccccc1Cl)c1cc[n+]([O-])cc1 ZINC000003218871 182379121 /nfs/dbraw/zinc/37/91/21/182379121.db2.gz GUQFXEDFHKDXSV-UHFFFAOYSA-N 0 0 248.669 2.226 50 0 BEAARN O=C(Nc1cccc2n[nH]cc21)c1ccco1 ZINC000001396323 182373451 /nfs/dbraw/zinc/37/34/51/182373451.db2.gz IMPBSVNHQWUXJE-UHFFFAOYSA-N 0 0 227.223 2.408 50 0 BEAARN O=C(Nc1cn[nH]c1)Nc1ccccc1F ZINC000035238493 182391164 /nfs/dbraw/zinc/39/11/64/182391164.db2.gz AOWVIVPTWUKCIH-UHFFFAOYSA-N 0 0 220.207 2.193 50 0 BEAARN O=C(Nc1ccccn1)Nc1ccccn1 ZINC000001668657 182381659 /nfs/dbraw/zinc/38/16/59/182381659.db2.gz FOQXHWCMYZXOGZ-UHFFFAOYSA-N 0 0 214.228 2.121 50 0 BEAARN O=C(Nc1ccccn1)[C@@H]1Cc2ccccc2O1 ZINC000032843892 182382000 /nfs/dbraw/zinc/38/20/00/182382000.db2.gz ASIROXQZKHSAFK-LBPRGKRZSA-N 0 0 240.262 2.024 50 0 BEAARN O=C(Nc1ccccn1)c1ccc(O)cc1 ZINC000005338753 182382876 /nfs/dbraw/zinc/38/28/76/182382876.db2.gz FHMHJVCJGXMNLY-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1ccccn1)c1ccsc1 ZINC000012527873 182382889 /nfs/dbraw/zinc/38/28/89/182382889.db2.gz JFZHQUMGQJKALU-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 BEAARN O=C(Nc1ccn2nccc2c1)c1ccoc1 ZINC000225595492 182384596 /nfs/dbraw/zinc/38/45/96/182384596.db2.gz RYMWFSQMHPWINR-UHFFFAOYSA-N 0 0 227.223 2.180 50 0 BEAARN O=C(Nc1cccnc1)c1ccsc1 ZINC000040462680 182385230 /nfs/dbraw/zinc/38/52/30/182385230.db2.gz MYIQNZPAJUUXRB-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 BEAARN O=C(Nc1cnc2n1CCCC2)[C@H]1CC12CCC2 ZINC000067741065 182392399 /nfs/dbraw/zinc/39/23/99/182392399.db2.gz DOCMBKRREOPCRR-SNVBAGLBSA-N 0 0 245.326 2.348 50 0 BEAARN O=C(Nc1ccon1)Nc1ccccc1F ZINC000020508112 182388515 /nfs/dbraw/zinc/38/85/15/182388515.db2.gz UUMVHTAACBCYRZ-UHFFFAOYSA-N 0 0 221.191 2.458 50 0 BEAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccn1 ZINC000012525582 182397923 /nfs/dbraw/zinc/39/79/23/182397923.db2.gz LMNSOVWAZKCKQE-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1nc2c(s1)CCC2)c1ccco1 ZINC000006526923 182398653 /nfs/dbraw/zinc/39/86/53/182398653.db2.gz ANIUCQNTOMIRFM-UHFFFAOYSA-N 0 0 234.280 2.477 50 0 BEAARN O=C(Nc1nccs1)Nc1nccs1 ZINC000015085659 182401995 /nfs/dbraw/zinc/40/19/95/182401995.db2.gz GUKZDIUCKXLTGW-UHFFFAOYSA-N 0 0 226.286 2.244 50 0 BEAARN O=C(Nc1nccs1)c1ccc2c(c1)OCO2 ZINC000000030207 182402215 /nfs/dbraw/zinc/40/22/15/182402215.db2.gz VYIAGACEPAYPHN-UHFFFAOYSA-N 0 0 248.263 2.124 50 0 biogenic,in-vitro BEAARN O=C(Nc1cnccn1)Nc1ccccc1F ZINC000006730788 182393764 /nfs/dbraw/zinc/39/37/64/182393764.db2.gz QEQHADLHUNANPS-UHFFFAOYSA-N 0 0 232.218 2.260 50 0 BEAARN O=C(Nc1cncc(F)c1)c1ccoc1 ZINC000336366587 182393958 /nfs/dbraw/zinc/39/39/58/182393958.db2.gz OOLRDTHFVIVHAY-UHFFFAOYSA-N 0 0 206.176 2.066 50 0 BEAARN O=C(Nc1cnns1)c1ccc(Cl)o1 ZINC000170603821 182395550 /nfs/dbraw/zinc/39/55/50/182395550.db2.gz WHSCTGIXBNFLMI-UHFFFAOYSA-N 0 0 229.648 2.037 50 0 BEAARN CCOC(=O)C(F)(F)c1ccccc1 ZINC000012359141 170189034 /nfs/dbraw/zinc/18/90/34/170189034.db2.gz KCMSDCHUELUJPX-UHFFFAOYSA-N 0 0 200.184 2.342 50 0 BEAARN CCOC(=O)CCCCC(=O)C(C)C ZINC000002580285 170198554 /nfs/dbraw/zinc/19/85/54/170198554.db2.gz KWMYXLOGIIOZHQ-UHFFFAOYSA-N 0 0 200.278 2.335 50 0 BEAARN O=C(O[C@@H]1CCCC1=O)c1ccc(F)cc1F ZINC000007778358 182608352 /nfs/dbraw/zinc/60/83/52/182608352.db2.gz LPWKJQGEAFOAGY-LLVKDONJSA-N 0 0 240.205 2.243 50 0 BEAARN O=C(Oc1ccc2ocnc2c1)C1CC1 ZINC000169852867 182608752 /nfs/dbraw/zinc/60/87/52/182608752.db2.gz DAGFMOPXJWQESP-UHFFFAOYSA-N 0 0 203.197 2.143 50 0 BEAARN O=C(c1cc(Cl)ccc1O)N1CCCC1 ZINC000012978751 182649493 /nfs/dbraw/zinc/64/94/93/182649493.db2.gz ADAUJIDSUOTARD-UHFFFAOYSA-N 0 0 225.675 2.282 50 0 BEAARN O=C(c1ccon1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000072057292 182694224 /nfs/dbraw/zinc/69/42/24/182694224.db2.gz ZZSDUACRBVLCLG-ONGXEEELSA-N 0 0 220.272 2.079 50 0 BEAARN CCOC(=O)Nc1cc(=O)c2ccccc2o1 ZINC000100055085 170243458 /nfs/dbraw/zinc/24/34/58/170243458.db2.gz XRBINQDQGMLLRQ-UHFFFAOYSA-N 0 0 233.223 2.361 50 0 BEAARN O=C(c1cscn1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000098013197 182705674 /nfs/dbraw/zinc/70/56/74/182705674.db2.gz HIDRUNSKDSZYJB-AOOOYVTPSA-N 0 0 234.324 2.181 50 0 BEAARN O=C1CCc2c(Br)cccc2N1 ZINC000067176151 182754622 /nfs/dbraw/zinc/75/46/22/182754622.db2.gz JGPDEKZRPAVYJA-UHFFFAOYSA-N 0 0 226.073 2.334 50 0 BEAARN O=C1C[C@H](c2ccc(F)c(F)c2)c2c[nH]nc2N1 ZINC000020720768 182784318 /nfs/dbraw/zinc/78/43/18/182784318.db2.gz PLLPEHQBRILBPU-SSDOTTSWSA-N 0 0 249.220 2.162 50 0 BEAARN O=C1Cc2cccc(C(F)(F)F)c2N1 ZINC000004369351 182788577 /nfs/dbraw/zinc/78/85/77/182788577.db2.gz ODADMQRQVQRBAC-UHFFFAOYSA-N 0 0 201.147 2.200 50 0 BEAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)[C@H]2CC=CC[C@@H]12 ZINC000017821679 182841562 /nfs/dbraw/zinc/84/15/62/182841562.db2.gz AWKYKXCWTDDILL-KKOKHZNYSA-N 0 0 216.280 2.303 50 0 BEAARN O=C1c2ccccc2CN1c1nccs1 ZINC000000171292 182845393 /nfs/dbraw/zinc/84/53/93/182845393.db2.gz QEOQAQSMSWHHJU-UHFFFAOYSA-N 0 0 216.265 2.304 50 0 BEAARN O=C1OCC[C@@H]1N[C@@H](c1ccccc1)C1CCC1 ZINC000069492649 182828884 /nfs/dbraw/zinc/82/88/84/182828884.db2.gz IZMJJSKCWHQUQA-KBPBESRZSA-N 0 0 245.322 2.433 50 0 BEAARN CCCCO[C@H]1CO[C@@H](OCCCC)CO1 ZINC000003121601 168914108 /nfs/dbraw/zinc/91/41/08/168914108.db2.gz PPRPWYOHXJHJRT-VXGBXAGGSA-N 0 0 232.320 2.319 50 0 BEAARN CCCCOc1ccccc1NC(=O)COC ZINC000001780784 168920531 /nfs/dbraw/zinc/92/05/31/168920531.db2.gz SOXUOZKEOIYIJD-UHFFFAOYSA-N 0 0 237.299 2.450 50 0 BEAARN O=c1c2ccccc2cnn1Cc1ccccc1 ZINC000000144111 182989552 /nfs/dbraw/zinc/98/95/52/182989552.db2.gz VNZBEMQOBGYHTK-UHFFFAOYSA-N 0 0 236.274 2.445 50 0 BEAARN O=c1[nH]cnc2cc(Cl)cc(Cl)c21 ZINC000160087394 182979028 /nfs/dbraw/zinc/97/90/28/182979028.db2.gz MGKJHFHUSYYJRP-UHFFFAOYSA-N 0 0 215.039 2.230 50 0 BEAARN O=c1c2c([nH]c3nc4ccccc4n31)CCCC2 ZINC000001025707 182985554 /nfs/dbraw/zinc/98/55/54/182985554.db2.gz WDAKCKLGAQPDFV-UHFFFAOYSA-N 0 0 239.278 2.055 50 0 BEAARN O=c1ccc2cccc(Br)c2[nH]1 ZINC000016125072 183001469 /nfs/dbraw/zinc/00/14/69/183001469.db2.gz HGJBIJWBYATVQY-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN O=c1ccccn1Cc1ccccc1F ZINC000000545229 183002723 /nfs/dbraw/zinc/00/27/23/183002723.db2.gz CYEANVNFODSKNO-UHFFFAOYSA-N 0 0 203.216 2.036 50 0 BEAARN O=c1ccnc(SCc2ccc(F)cc2)[nH]1 ZINC000016401887 183005787 /nfs/dbraw/zinc/00/57/87/183005787.db2.gz ADMAASSUBQDVAI-UHFFFAOYSA-N 0 0 236.271 2.201 50 0 BEAARN O=c1cncc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000044120111 183006817 /nfs/dbraw/zinc/00/68/17/183006817.db2.gz CXKIGXMJPAOWGX-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN O=c1nnc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000018254896 183008152 /nfs/dbraw/zinc/00/81/52/183008152.db2.gz VTOJJDGNQGCRLP-UHFFFAOYSA-N 0 0 249.273 2.499 50 0 BEAARN O=c1onc(-c2ccccn2)n1[C@@H]1C=CCCC1 ZINC000089884674 183012828 /nfs/dbraw/zinc/01/28/28/183012828.db2.gz JNXCDYVOWFUGOB-SNVBAGLBSA-N 0 0 243.266 2.180 50 0 BEAARN O=c1sc2ccccc2n1Cc1ccon1 ZINC000072675036 183013033 /nfs/dbraw/zinc/01/30/33/183013033.db2.gz IIFPXVLDZZIZEB-UHFFFAOYSA-N 0 0 232.264 2.099 50 0 BEAARN O=C1CS[C@@H](c2ccncc2)c2c[nH]nc2N1 ZINC000020721071 183026514 /nfs/dbraw/zinc/02/65/14/183026514.db2.gz KAMBEVHECMHMDU-JTQLQIEISA-N 0 0 246.295 2.229 50 0 BEAARN OC1(C2CC2)CN(c2nc3ccccc3s2)C1 ZINC000089667348 183015448 /nfs/dbraw/zinc/01/54/48/183015448.db2.gz BCDQSRQUAUADOL-UHFFFAOYSA-N 0 0 246.335 2.257 50 0 BEAARN O=C1NC(=S)SC1=Cc1ccccn1 ZINC000012084583 183024534 /nfs/dbraw/zinc/02/45/34/183024534.db2.gz QUNOTGGCROUUQP-ALCCZGGFSA-N 0 0 222.294 2.411 50 0 BEAARN OCCCN(Cc1ccon1)c1ccccc1 ZINC000085900880 183055421 /nfs/dbraw/zinc/05/54/21/183055421.db2.gz UCPULKACJZNXEL-UHFFFAOYSA-N 0 0 232.283 2.064 50 0 BEAARN OCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000012357739 183063760 /nfs/dbraw/zinc/06/37/60/183063760.db2.gz FTILFUMFIRAXIW-UHFFFAOYSA-N 0 0 234.221 2.162 50 0 BEAARN OCCNc1ccc(C(F)(F)F)cc1 ZINC000020046373 183080771 /nfs/dbraw/zinc/08/07/71/183080771.db2.gz GYUHDZLHKQMXPN-UHFFFAOYSA-N 0 0 205.179 2.110 50 0 BEAARN OCCSc1nc2ccccc2s1 ZINC000002037675 183089097 /nfs/dbraw/zinc/08/90/97/183089097.db2.gz PYNOHHMFQYUSDD-UHFFFAOYSA-N 0 0 211.311 2.381 50 0 BEAARN OCCSc1n[nH]c(CCC2CCCC2)n1 ZINC000031797354 183089859 /nfs/dbraw/zinc/08/98/59/183089859.db2.gz IVBBAEYCHKFUNL-UHFFFAOYSA-N 0 0 241.360 2.012 50 0 BEAARN OC[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000000209445 183117396 /nfs/dbraw/zinc/11/73/96/183117396.db2.gz GRWAECMWJVSXIQ-SNVBAGLBSA-N 0 0 241.281 2.169 50 0 BEAARN OCCc1cc(-c2ccc(F)cc2)no1 ZINC000044672104 183100885 /nfs/dbraw/zinc/10/08/85/183100885.db2.gz CXLPTKWCOJCULY-UHFFFAOYSA-N 0 0 207.204 2.016 50 0 BEAARN CCCC[C@H]1C=CCN1C(=O)c1ccc(CO)o1 ZINC000071757221 169012845 /nfs/dbraw/zinc/01/28/45/169012845.db2.gz VUCFPEGTBUHTCB-NSHDSACASA-N 0 0 249.310 2.343 50 0 BEAARN OC[C@H](O)CN(c1ccccc1)c1ccccc1 ZINC000000289984 183142751 /nfs/dbraw/zinc/14/27/51/183142751.db2.gz QXJMTHSWSAMWTP-OAHLLOKOSA-N 0 0 243.306 2.178 50 0 BEAARN CCCCc1nc2[nH]nc(N)c2c2c1CCC2 ZINC000005165033 169028185 /nfs/dbraw/zinc/02/81/85/169028185.db2.gz XWMBTDGQQVXIHW-UHFFFAOYSA-N 0 0 230.315 2.371 50 0 BEAARN CCCCn1c(=O)[nH]nc1-c1ccccc1 ZINC000012336664 169032891 /nfs/dbraw/zinc/03/28/91/169032891.db2.gz AQELBTNRMQGZBP-UHFFFAOYSA-N 0 0 217.272 2.039 50 0 BEAARN CCCCn1c2ccccc2nc1CCO ZINC000008786049 169033449 /nfs/dbraw/zinc/03/34/49/169033449.db2.gz VVEXXIVWJLPNCQ-UHFFFAOYSA-N 0 0 218.300 2.371 50 0 BEAARN CCCCn1cc(Br)cn1 ZINC000015021668 169034975 /nfs/dbraw/zinc/03/49/75/169034975.db2.gz KUKZNMXVEOCKFE-UHFFFAOYSA-N 0 0 203.083 2.446 50 0 BEAARN CCCCN1C(=S)N=NC1c1cc(C)on1 ZINC000002727247 169035132 /nfs/dbraw/zinc/03/51/32/169035132.db2.gz XRYTZMOPSXNDNH-UHFFFAOYSA-N 0 0 238.316 2.330 50 0 BEAARN OC[C@H]1CCCN1c1cc(C(F)(F)F)ccn1 ZINC000078612569 183152728 /nfs/dbraw/zinc/15/27/28/183152728.db2.gz VNOKQVAPGXBPRA-SECBINFHSA-N 0 0 246.232 2.062 50 0 BEAARN OCc1c(F)cc(Br)cc1F ZINC000000403515 183160351 /nfs/dbraw/zinc/16/03/51/183160351.db2.gz LSRHFWSNUFIKER-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN OCc1c(Cl)ncn1-c1ccccc1 ZINC000069949547 183160716 /nfs/dbraw/zinc/16/07/16/183160716.db2.gz LGTWDTQKRJCTHX-UHFFFAOYSA-N 0 0 208.648 2.018 50 0 BEAARN OCc1cc(F)cc(Br)c1 ZINC000002528585 183161957 /nfs/dbraw/zinc/16/19/57/183161957.db2.gz KQWBQTOZXPPFIY-UHFFFAOYSA-N 0 0 205.026 2.081 50 0 BEAARN OCc1ccc(-c2cccc3ccnn32)cc1 ZINC000072168963 183163646 /nfs/dbraw/zinc/16/36/46/183163646.db2.gz FIXYKYOMSOQSGN-UHFFFAOYSA-N 0 0 224.263 2.494 50 0 BEAARN O[C@@H](Cc1ccncc1)C(Cl)(Cl)Cl ZINC000000162252 183183453 /nfs/dbraw/zinc/18/34/53/183183453.db2.gz NGTDJJKTGRNNAU-ZETCQYMHSA-N 0 0 240.517 2.355 50 0 in-vitro BEAARN OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000036757623 183170571 /nfs/dbraw/zinc/17/05/71/183170571.db2.gz SYNHPTPDCOUPLT-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN ON1C(c2ccccc2)N(O)[C@@H]2CCCC[C@H]21 ZINC000104324968 183172024 /nfs/dbraw/zinc/17/20/24/183172024.db2.gz GLCYWTAXMAFMTK-VXGBXAGGSA-N 0 0 234.299 2.392 50 0 BEAARN O[C@@H]1CCC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000195575400 183196478 /nfs/dbraw/zinc/19/64/78/183196478.db2.gz BWPFKUINQLEOGW-RKDXNWHRSA-N 0 0 244.241 2.008 50 0 BEAARN O[C@@H]1CCN(c2cc3ccccc3c(Cl)n2)C1 ZINC000078774563 183200978 /nfs/dbraw/zinc/20/09/78/183200978.db2.gz HXCAWCWXTFIAAL-SNVBAGLBSA-N 0 0 248.713 2.459 50 0 BEAARN CCCN(C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000049479279 169059238 /nfs/dbraw/zinc/05/92/38/169059238.db2.gz OLXHWZZPNGUTDC-UHFFFAOYSA-N 0 0 244.294 2.010 50 0 BEAARN O[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000195575437 183194888 /nfs/dbraw/zinc/19/48/88/183194888.db2.gz MSPGIRCKQCTJCV-DTWKUNHWSA-N 0 0 246.232 2.426 50 0 BEAARN O[C@@]1(c2ccccc2)COc2ccccc2O1 ZINC000002145824 183217546 /nfs/dbraw/zinc/21/75/46/183217546.db2.gz OLIYXRBEDCJVLH-AWEZNQCLSA-N 0 0 228.247 2.303 50 0 BEAARN O[C@@]1(c2ccccc2)CSC2=NCCCCN21 ZINC000003199971 183217877 /nfs/dbraw/zinc/21/78/77/183217877.db2.gz JPNYNSWQHIRATR-CYBMUJFWSA-N 0 0 248.351 2.030 50 0 BEAARN O[C@H](Cc1ccccn1)C(Cl)(Cl)Cl ZINC000013283783 183227772 /nfs/dbraw/zinc/22/77/72/183227772.db2.gz FUKQVPBVURQUCG-SSDOTTSWSA-N 0 0 240.517 2.355 50 0 BEAARN O[C@@H](c1ccns1)c1ccc(F)cc1 ZINC000039326054 183228936 /nfs/dbraw/zinc/22/89/36/183228936.db2.gz RLKKAEOECPDYHV-SNVBAGLBSA-N 0 0 209.245 2.364 50 0 BEAARN O[C@@H]1CNc2c1c(F)ccc2Br ZINC000169725897 183208963 /nfs/dbraw/zinc/20/89/63/183208963.db2.gz NDEIXRQNNSFXFL-ZCFIWIBFSA-N 0 0 232.052 2.047 50 0 BEAARN O[C@@]1(C(F)F)CC(/C=C/c2cccs2)=NO1 ZINC000000509811 183216039 /nfs/dbraw/zinc/21/60/39/183216039.db2.gz RFYVQJGHGHWEEJ-FSIBCCDJSA-N 0 0 245.250 2.491 50 0 BEAARN O=c1c2c([nH]c3nc4ccccc4n31)CCC2 ZINC000102734252 183254684 /nfs/dbraw/zinc/25/46/84/183254684.db2.gz JDSUWNAAPCQEQF-UHFFFAOYSA-N 0 0 225.251 2.077 50 0 BEAARN O[C@H]1Cc2ccccc2[C@@H]1Sc1ncccn1 ZINC000005776530 183249638 /nfs/dbraw/zinc/24/96/38/183249638.db2.gz RXDRIZZIYOZLNK-RYUDHWBXSA-N 0 0 244.319 2.227 50 0 BEAARN O[C@]1(c2ccccc2)COc2ccccc2O1 ZINC000002145822 183252398 /nfs/dbraw/zinc/25/23/98/183252398.db2.gz OLIYXRBEDCJVLH-CQSZACIVSA-N 0 0 228.247 2.303 50 0 BEAARN Oc1ccc(C(=S)N2CCCC2)cc1 ZINC000013130084 183267218 /nfs/dbraw/zinc/26/72/18/183267218.db2.gz KKJBBXUCSNBWJW-UHFFFAOYSA-N 0 0 207.298 2.164 50 0 BEAARN Oc1ccc(Cn2ccnc2)c2cccnc12 ZINC000000060410 183272715 /nfs/dbraw/zinc/27/27/15/183272715.db2.gz FWRGZMWNWBBHLD-UHFFFAOYSA-N 0 0 225.251 2.185 50 0 BEAARN Oc1ccc(F)c(O[C@@H]2CCCCO2)c1 ZINC000261494397 183273351 /nfs/dbraw/zinc/27/33/51/183273351.db2.gz WMRPPDMBJGMUNB-LLVKDONJSA-N 0 0 212.220 2.437 50 0 BEAARN Oc1ccc2n[nH]cc2c1Br ZINC000089196364 183278999 /nfs/dbraw/zinc/27/89/99/183278999.db2.gz NKQAGTMAIUMWOY-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN CCCN(CCC)C(=O)c1cccnc1 ZINC000000394078 169146432 /nfs/dbraw/zinc/14/64/32/169146432.db2.gz WQTZSTUJSCNCBZ-UHFFFAOYSA-N 0 0 206.289 2.344 50 0 BEAARN O=c1[nH]nc2[nH]c(-c3ccccc3)ccc1-2 ZINC000073647503 183306505 /nfs/dbraw/zinc/30/65/05/183306505.db2.gz ZTNVZYCGSMDLET-UHFFFAOYSA-N 0 0 211.224 2.331 50 0 BEAARN Oc1cnc(Cl)nc1OCc1ccccc1 ZINC000012359335 183305319 /nfs/dbraw/zinc/30/53/19/183305319.db2.gz URJRKXXIIWYWIS-UHFFFAOYSA-N 0 0 236.658 2.415 50 0 BEAARN S=c1[nH]ncn1CCc1ccccc1 ZINC000016957950 183315068 /nfs/dbraw/zinc/31/50/68/183315068.db2.gz APTHLTYPJMPFQM-UHFFFAOYSA-N 0 0 205.286 2.183 50 0 BEAARN S=c1[nH]nc2n1CCN2c1ccccc1 ZINC000026421923 183315186 /nfs/dbraw/zinc/31/51/86/183315186.db2.gz WYFDXQYBQFSRIO-UHFFFAOYSA-N 0 0 218.285 2.092 50 0 BEAARN CCCN1C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000101128264 169185182 /nfs/dbraw/zinc/18/51/82/169185182.db2.gz RBSLXVLDXKEYPI-QWRGUYRKSA-N 0 0 221.300 2.128 50 0 BEAARN [O-][n+]1cccc2c1Oc1ccccc1O2 ZINC000060275839 183318817 /nfs/dbraw/zinc/31/88/17/183318817.db2.gz DMQKKKCNVKDODE-UHFFFAOYSA-N 0 0 201.181 2.218 50 0 BEAARN [O-][n+]1ccc2c(Br)cccc2c1 ZINC000072206998 183319250 /nfs/dbraw/zinc/31/92/50/183319250.db2.gz ZMMWTYNVRSUXFF-UHFFFAOYSA-N 0 0 224.057 2.236 50 0 BEAARN S=C(NC1CCCC1)NC1CCCC1 ZINC000000467724 183311721 /nfs/dbraw/zinc/31/17/21/183311721.db2.gz OVUIGZKRQUDDHV-UHFFFAOYSA-N 0 0 212.362 2.336 50 0 BEAARN S=C(NCc1ccccn1)NC1CCCCC1 ZINC000000452022 183311793 /nfs/dbraw/zinc/31/17/93/183311793.db2.gz MGZJNVLVBKBESJ-UHFFFAOYSA-N 0 0 249.383 2.378 50 0 BEAARN S=C(Nc1cccnc1)Nc1cccnc1 ZINC000001059957 183312063 /nfs/dbraw/zinc/31/20/63/183312063.db2.gz NOTRQWDALQNNRT-UHFFFAOYSA-N 0 0 230.296 2.286 50 0 BEAARN S=C1N[C@H](Cc2ccccc2)CS1 ZINC000012650482 183312560 /nfs/dbraw/zinc/31/25/60/183312560.db2.gz SLDUGQISGRPGAW-SECBINFHSA-N 0 0 209.339 2.219 50 0 BEAARN CCCNC(=O)CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000081574671 169224277 /nfs/dbraw/zinc/22/42/77/169224277.db2.gz KCYFXQCUXXEMER-SWLSCSKDSA-N 0 0 246.354 2.206 50 0 BEAARN c1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccn1 ZINC000089884957 183345425 /nfs/dbraw/zinc/34/54/25/183345425.db2.gz YCSMPAGHWBMOIM-UONOGXRCSA-N 0 0 232.327 2.225 50 0 BEAARN CCCNC(=O)CSc1ccc(O)cc1 ZINC000038078794 169232634 /nfs/dbraw/zinc/23/26/34/169232634.db2.gz ZQWRQCYGYKWAHC-UHFFFAOYSA-N 0 0 225.313 2.011 50 0 BEAARN CCCNC(=O)Cc1cccc(Cl)c1 ZINC000067899844 169233159 /nfs/dbraw/zinc/23/31/59/169233159.db2.gz ZJKYFUPYBBUNKW-UHFFFAOYSA-N 0 0 211.692 2.409 50 0 BEAARN CCCNC(=O)Cc1ccc(CC)cc1 ZINC000071384931 169233187 /nfs/dbraw/zinc/23/31/87/169233187.db2.gz WYNOEEHRCTWIQP-UHFFFAOYSA-N 0 0 205.301 2.318 50 0 BEAARN CCCN1CSC(=S)N(CCC)C1 ZINC000019802510 169210064 /nfs/dbraw/zinc/21/00/64/169210064.db2.gz JVODKKRRUYELMB-UHFFFAOYSA-N 0 0 218.391 2.357 50 0 BEAARN CCCN1CNc2nc3ccccc3n2C1 ZINC000002447163 169210482 /nfs/dbraw/zinc/21/04/82/169210482.db2.gz MGWFNYBXCGGCJW-UHFFFAOYSA-N 0 0 216.288 2.089 50 0 BEAARN c1cc(CNc2ccc3c(c2)OCCO3)ccn1 ZINC000000570881 183353447 /nfs/dbraw/zinc/35/34/47/183353447.db2.gz ZEHRBOVXNPCYAK-UHFFFAOYSA-N 0 0 242.278 2.465 50 0 in-vitro BEAARN CCCNC(=O)CCn1ncc2cc(C)ccc21 ZINC000040758611 169217909 /nfs/dbraw/zinc/21/79/09/169217909.db2.gz IFYWGTPMIAPKAA-UHFFFAOYSA-N 0 0 245.326 2.261 50 0 BEAARN CCCNC(=O)CCn1nc(C)c(Cl)c1C ZINC000032648192 169218061 /nfs/dbraw/zinc/21/80/61/169218061.db2.gz WYALJYRRPMXSNZ-UHFFFAOYSA-N 0 0 243.738 2.070 50 0 BEAARN CCCNC(=O)CCc1ccccc1F ZINC000047220882 169218113 /nfs/dbraw/zinc/21/81/13/169218113.db2.gz ROPQYRUSGBLWBR-UHFFFAOYSA-N 0 0 209.264 2.285 50 0 BEAARN CCCNC(=O)CCc1ccc(F)cc1 ZINC000062060881 169218164 /nfs/dbraw/zinc/21/81/64/169218164.db2.gz VMBCLYBAKBBZKG-UHFFFAOYSA-N 0 0 209.264 2.285 50 0 BEAARN c1n[nH]c2cc(N[C@@H]3CCSC3)ccc12 ZINC000004009560 183375993 /nfs/dbraw/zinc/37/59/93/183375993.db2.gz IPGBKRYUCLUVQU-SNVBAGLBSA-N 0 0 219.313 2.480 50 0 BEAARN CCCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000006731071 169240193 /nfs/dbraw/zinc/24/01/93/169240193.db2.gz RNDJTMGUZKWTIR-UHFFFAOYSA-N 0 0 235.287 2.177 50 0 BEAARN c1cc2[nH]c(C3CC3)nc2c2nsnc12 ZINC000017948583 183377415 /nfs/dbraw/zinc/37/74/15/183377415.db2.gz HPVRNIFVVWTXTQ-UHFFFAOYSA-N 0 0 216.269 2.445 50 0 BEAARN CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000014397882 169242094 /nfs/dbraw/zinc/24/20/94/169242094.db2.gz SQKISZUKRJFFTG-SECBINFHSA-N 0 0 225.263 2.119 50 0 BEAARN c1nc(-c2ccccc2)oc1N1CCOCC1 ZINC000027061809 183383623 /nfs/dbraw/zinc/38/36/23/183383623.db2.gz UUAAYHZMVPUNEY-UHFFFAOYSA-N 0 0 230.267 2.178 50 0 BEAARN CCCNC(=O)[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000036014147 169248750 /nfs/dbraw/zinc/24/87/50/169248750.db2.gz UBYNAJWCXNQGBX-CYBMUJFWSA-N 0 0 246.310 2.014 50 0 BEAARN c1ccc(-c2nnc(N3CCOCC3)s2)cc1 ZINC000028225498 183385004 /nfs/dbraw/zinc/38/50/04/183385004.db2.gz GQZLVUVTUBIXQK-UHFFFAOYSA-N 0 0 247.323 2.042 50 0 BEAARN CCCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000012535372 169249853 /nfs/dbraw/zinc/24/98/53/169249853.db2.gz QKIRZEWVAUXICH-UHFFFAOYSA-N 0 0 247.273 2.356 50 0 BEAARN CCCNC(=O)c1cc(-c2cccc(O)c2)on1 ZINC000003908302 169250014 /nfs/dbraw/zinc/25/00/14/169250014.db2.gz HOMNMODWEOYUGP-UHFFFAOYSA-N 0 0 246.266 2.187 50 0 BEAARN CCCNC(=O)c1c[nH]c2ccccc12 ZINC000035134643 169250145 /nfs/dbraw/zinc/25/01/45/169250145.db2.gz BPKMYADCNZBWEH-UHFFFAOYSA-N 0 0 202.257 2.308 50 0 BEAARN c1cc(SCc2nnc(C3CC3)[nH]2)ccn1 ZINC000065404457 183360502 /nfs/dbraw/zinc/36/05/02/183360502.db2.gz PISYAQJXHJXBNH-UHFFFAOYSA-N 0 0 232.312 2.369 50 0 BEAARN CCCNC(=O)c1cccc2cccnc21 ZINC000012978856 169252340 /nfs/dbraw/zinc/25/23/40/169252340.db2.gz RQXSORDIMJPFMY-UHFFFAOYSA-N 0 0 214.268 2.375 50 0 BEAARN CCCNC(=O)c1ccn(C2CCCC2)n1 ZINC000028222993 169252615 /nfs/dbraw/zinc/25/26/15/169252615.db2.gz RZCFRPAUIYGNAW-UHFFFAOYSA-N 0 0 221.304 2.138 50 0 BEAARN CCCNC(=O)c1ccc2nc(N)sc2c1 ZINC000020154882 169252790 /nfs/dbraw/zinc/25/27/90/169252790.db2.gz QXGCZVJONFROMF-UHFFFAOYSA-N 0 0 235.312 2.018 50 0 BEAARN CCCNS(=O)(=O)c1cc(C)ccc1Cl ZINC000126095479 169272668 /nfs/dbraw/zinc/27/26/68/169272668.db2.gz RHANEYDTDYPXON-UHFFFAOYSA-N 0 0 247.747 2.337 50 0 BEAARN CCCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000003349440 169272964 /nfs/dbraw/zinc/27/29/64/169272964.db2.gz XPORVZICKZCHLQ-UHFFFAOYSA-N 0 0 241.356 2.300 50 0 BEAARN c1[nH]nc2c1CCC[C@@H]2OCc1ccccn1 ZINC000170611135 183407754 /nfs/dbraw/zinc/40/77/54/183407754.db2.gz HXAVTDPCHAEFOQ-LBPRGKRZSA-N 0 0 229.283 2.399 50 0 BEAARN CCCOC(=O)c1ccc(N2CCCC2)nc1 ZINC000095989753 169300289 /nfs/dbraw/zinc/30/02/89/169300289.db2.gz QTWCKIZHSCBONT-UHFFFAOYSA-N 0 0 234.299 2.249 50 0 BEAARN CCCOc1cc(C=O)cc2nc(N)oc21 ZINC000228902970 169314650 /nfs/dbraw/zinc/31/46/50/169314650.db2.gz SVUVEKIELDKUOC-UHFFFAOYSA-N 0 0 220.228 2.011 50 0 BEAARN CCCOc1ccc([C@H]2CNC(=O)C2)cc1 ZINC000002285678 169322430 /nfs/dbraw/zinc/32/24/30/169322430.db2.gz GTWLTAZTPPGDPL-LLVKDONJSA-N 0 0 219.284 2.079 50 0 BEAARN CCCS(=O)(=O)NC1CCCCCCC1 ZINC000057464762 169331680 /nfs/dbraw/zinc/33/16/80/169331680.db2.gz AFMLGUPDHGJUPC-UHFFFAOYSA-N 0 0 233.377 2.429 50 0 BEAARN CCCS(=O)(=O)N[C@@H](C)c1cccs1 ZINC000048955635 169333510 /nfs/dbraw/zinc/33/35/10/169333510.db2.gz NQCIZKFIIHGZLG-QMMMGPOBSA-N 0 0 233.358 2.139 50 0 BEAARN c1cn(C2CCCC2)nc1CSc1cn[nH]n1 ZINC000097016197 183465038 /nfs/dbraw/zinc/46/50/38/183465038.db2.gz VSAVZRWUPWZTPN-UHFFFAOYSA-N 0 0 249.343 2.409 50 0 BEAARN CCC[C@@H](C)C(=O)NCc1ccccn1 ZINC000000373092 169351120 /nfs/dbraw/zinc/35/11/20/169351120.db2.gz ZHPYIOVVVAOOHQ-SNVBAGLBSA-N 0 0 206.289 2.134 50 0 BEAARN CCC[C@@H](C)C(=O)NCc1ccncc1 ZINC000000030901 169351133 /nfs/dbraw/zinc/35/11/33/169351133.db2.gz NEAONFXTYNAGBZ-SNVBAGLBSA-N 0 0 206.289 2.134 50 0 BEAARN c1csc(-c2noc(-c3ccno3)n2)c1 ZINC000000114330 183514474 /nfs/dbraw/zinc/51/44/74/183514474.db2.gz FWFNRGKWGCFGNT-UHFFFAOYSA-N 0 0 219.225 2.453 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C2CC2)C1 ZINC000263624704 166645527 /nfs/dbraw/zinc/64/55/27/166645527.db2.gz STCMXPSRXDDPDN-SNVBAGLBSA-N 0 0 239.315 2.223 50 0 BEAARN CC(C)(C)OC(=O)N1CCCCCC1=O ZINC000021983021 166646417 /nfs/dbraw/zinc/64/64/17/166646417.db2.gz GJZYNYJIBDCRFC-UHFFFAOYSA-N 0 0 213.277 2.324 50 0 BEAARN CCC[C@H](C)C(=O)NCc1ccccn1 ZINC000000373095 169472609 /nfs/dbraw/zinc/47/26/09/169472609.db2.gz ZHPYIOVVVAOOHQ-JTQLQIEISA-N 0 0 206.289 2.134 50 0 BEAARN CCCc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000000100150 169571942 /nfs/dbraw/zinc/57/19/42/169571942.db2.gz OXBAUQMVAZPIFA-UHFFFAOYSA-N 0 0 215.252 2.069 50 0 BEAARN CCCc1noc([C@H](C)N2CCSCC2)n1 ZINC000044950575 169605061 /nfs/dbraw/zinc/60/50/61/169605061.db2.gz VZVHHANHGMJLGZ-VIFPVBQESA-N 0 0 241.360 2.132 50 0 BEAARN CCCn1c(CCNC(C)=O)nc2ccccc21 ZINC000004943181 169613039 /nfs/dbraw/zinc/61/30/39/169613039.db2.gz XNSYCJMQXPTHOV-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN CCCn1nnnc1-c1ccc(Cl)cc1 ZINC000001405200 169628820 /nfs/dbraw/zinc/62/88/20/169628820.db2.gz QYJASCFIEIXHPW-UHFFFAOYSA-N 0 0 222.679 2.404 50 0 BEAARN CCN(C(=O)[C@H](C)CSC)c1ccncc1 ZINC000071910399 169652067 /nfs/dbraw/zinc/65/20/67/169652067.db2.gz VNDMCTRJOYZBNP-SNVBAGLBSA-N 0 0 238.356 2.434 50 0 BEAARN CC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000035819 383818945 /nfs/dbraw/zinc/81/89/45/383818945.db2.gz IILMTVMHMUEWFW-UHFFFAOYSA-N 0 0 231.173 2.390 50 0 BEAARN O=C(Nc1ncccn1)c1ccc(Cl)cc1 ZINC000000051175 383819883 /nfs/dbraw/zinc/81/98/83/383819883.db2.gz FHSYWAOAPXQHHE-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCC1 ZINC000000068185 383820914 /nfs/dbraw/zinc/82/09/14/383820914.db2.gz SXFYVDPKNPGHKJ-GQCTYLIASA-N 0 0 245.278 2.051 50 0 BEAARN Nc1ncnc2oc(-c3ccccc3)cc21 ZINC000000071716 383821405 /nfs/dbraw/zinc/82/14/05/383821405.db2.gz KLUPXPVKDBPOMJ-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN CSc1nccn1CC(=O)Nc1ccccc1 ZINC000000070174 383822268 /nfs/dbraw/zinc/82/22/68/383822268.db2.gz MFHGXKJVOLTNRW-UHFFFAOYSA-N 0 0 247.323 2.244 50 0 BEAARN O=C1NN[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000000083449 383825109 /nfs/dbraw/zinc/82/51/09/383825109.db2.gz KYCUKDBLOYZMRV-UONOGXRCSA-N 0 0 238.290 2.146 50 0 BEAARN CNc1ncc2cc(Br)ccc2n1 ZINC000035049793 383825653 /nfs/dbraw/zinc/82/56/53/383825653.db2.gz SVCYTTMHAGTBOR-UHFFFAOYSA-N 0 0 238.088 2.434 50 0 BEAARN CCc1cccc(CC)c1N1C(=O)C=CC1=O ZINC000000097049 383826780 /nfs/dbraw/zinc/82/67/80/383826780.db2.gz LNOKVKHZEYOLIQ-UHFFFAOYSA-N 0 0 229.279 2.241 50 0 BEAARN CC(C)OC(=O)C(C)(C)Br ZINC000000164799 383838530 /nfs/dbraw/zinc/83/85/30/383838530.db2.gz UNZJYKKJZGIFCG-UHFFFAOYSA-N 0 0 209.083 2.112 50 0 BEAARN COC(=O)c1cc(Cl)ccc1OC ZINC000000167254 383839601 /nfs/dbraw/zinc/83/96/01/383839601.db2.gz HPTHYBXMNNGQEF-UHFFFAOYSA-N 0 0 200.621 2.135 50 0 BEAARN O=Cc1cc2cc(Br)cnc2o1 ZINC000066054369 383844147 /nfs/dbraw/zinc/84/41/47/383844147.db2.gz FMQUMCDYSZFKLX-UHFFFAOYSA-N 0 0 226.029 2.403 50 0 BEAARN Cc1noc(CN2CCC(C(F)(F)F)CC2)n1 ZINC000334291740 383851529 /nfs/dbraw/zinc/85/15/29/383851529.db2.gz MBRRZDQTUSTENK-UHFFFAOYSA-N 0 0 249.236 2.152 50 0 BEAARN Cc1cc(C(N)=O)c(-c2ccccc2)o1 ZINC000000291957 383851649 /nfs/dbraw/zinc/85/16/49/383851649.db2.gz FRDXDBIGDMJSRO-UHFFFAOYSA-N 0 0 201.225 2.354 50 0 BEAARN O=Cc1ccc(OCc2cccnc2)cc1 ZINC000000335147 383855688 /nfs/dbraw/zinc/85/56/88/383855688.db2.gz OZLAHUVAOGTVKY-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN CC(=O)c1c[nH]c(Br)c1C ZINC000066339204 383857366 /nfs/dbraw/zinc/85/73/66/383857366.db2.gz CLQIKPUIHJZKTM-UHFFFAOYSA-N 0 0 202.051 2.288 50 0 BEAARN FC(F)Oc1ccc(Br)cn1 ZINC000066327914 383858478 /nfs/dbraw/zinc/85/84/78/383858478.db2.gz TUKUVGKMNSUOJF-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN CC(=O)N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000000378004 383859524 /nfs/dbraw/zinc/85/95/24/383859524.db2.gz HBKGGRWYRVVBDZ-AWEZNQCLSA-N 0 0 244.269 2.446 50 0 BEAARN CC(C)n1nnc2c1c1ccccc1oc2=O ZINC000000376995 383859768 /nfs/dbraw/zinc/85/97/68/383859768.db2.gz XMWNQUJSVGGSFV-UHFFFAOYSA-N 0 0 229.239 2.119 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000372186 383860071 /nfs/dbraw/zinc/86/00/71/383860071.db2.gz JCTYEPZJGLBQKZ-FSPLSTOPSA-N 0 0 223.301 2.010 50 0 BEAARN Cc1nnc2sc(COc3ccccc3)nn12 ZINC000000385121 383861515 /nfs/dbraw/zinc/86/15/15/383861515.db2.gz CETZPWSRNIAYQG-UHFFFAOYSA-N 0 0 246.295 2.073 50 0 BEAARN CC(=O)Nc1cc(F)c(F)c(F)c1F ZINC000000398900 383864764 /nfs/dbraw/zinc/86/47/64/383864764.db2.gz QDHKQWLHTOKHQG-UHFFFAOYSA-N 0 0 207.126 2.201 50 0 BEAARN Cc1ccc(-c2ccc(C(N)=O)o2)cc1 ZINC000000409413 383865942 /nfs/dbraw/zinc/86/59/42/383865942.db2.gz FNLZYXXWCFUJGM-UHFFFAOYSA-N 0 0 201.225 2.354 50 0 BEAARN Cc1nc(NCc2cccc(C)c2)n[nH]1 ZINC000035684095 383867171 /nfs/dbraw/zinc/86/71/71/383867171.db2.gz NBPQEVJCSKJRIW-UHFFFAOYSA-N 0 0 202.261 2.034 50 0 BEAARN Cc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000000453223 383868444 /nfs/dbraw/zinc/86/84/44/383868444.db2.gz OYROYVXGFZPCGD-UHFFFAOYSA-N 0 0 224.203 2.289 50 0 BEAARN CN(C)c1ccc(-n2cccc2C=O)cc1 ZINC000000454210 383869306 /nfs/dbraw/zinc/86/93/06/383869306.db2.gz SLLUNQHJYVKISH-UHFFFAOYSA-N 0 0 214.268 2.356 50 0 BEAARN CC(=O)COc1ccc2c(C)cc(=O)oc2c1C ZINC000000449333 383869677 /nfs/dbraw/zinc/86/96/77/383869677.db2.gz KOQYSKLDCHZYGF-UHFFFAOYSA-N 0 0 246.262 2.378 50 0 BEAARN O=C1NN=C(c2ccccc2)Cc2ccccc21 ZINC000000482110 383871386 /nfs/dbraw/zinc/87/13/86/383871386.db2.gz QZAXVWASIUQYNC-UHFFFAOYSA-N 0 0 236.274 2.377 50 0 BEAARN Cc1c(NC(=O)[C@H]2CCOC2)cccc1N(C)C ZINC000095987039 383874853 /nfs/dbraw/zinc/87/48/53/383874853.db2.gz HOAVBSQEXFVBAU-NSHDSACASA-N 0 0 248.326 2.036 50 0 BEAARN Cn1nc(-c2ccc(Cl)cc2)cc1N ZINC000000126167 383831277 /nfs/dbraw/zinc/83/12/77/383831277.db2.gz ZSFCXTGPGSAWFT-UHFFFAOYSA-N 0 0 207.664 2.323 50 0 BEAARN CC(=O)c1nnn(-c2ccc(F)cc2F)c1C ZINC000000141383 383833268 /nfs/dbraw/zinc/83/32/68/383833268.db2.gz ONRUHMZGNYVFAX-UHFFFAOYSA-N 0 0 237.209 2.057 50 0 BEAARN CC1(C)C[C@H](C(=O)Nc2nccs2)CCO1 ZINC000000205462 383908561 /nfs/dbraw/zinc/90/85/61/383908561.db2.gz ODRRGJNTJPGRRX-MRVPVSSYSA-N 0 0 240.328 2.287 50 0 BEAARN O=C1OCc2ccc(Br)cc21 ZINC000001621357 383911804 /nfs/dbraw/zinc/91/18/04/383911804.db2.gz BELKVKMBIAENSA-UHFFFAOYSA-N 0 0 213.030 2.120 50 0 BEAARN CSC1=N[C@@]2(C[C@H]2c2ccccc2)C(=O)N1C ZINC000001658333 383918179 /nfs/dbraw/zinc/91/81/79/383918179.db2.gz UFKUQROJBMEUTQ-GXFFZTMASA-N 0 0 246.335 2.104 50 0 BEAARN Cc1n[nH]cc1CNc1ccc(F)cc1 ZINC000036901513 383918585 /nfs/dbraw/zinc/91/85/85/383918585.db2.gz VUWBAJGDPKAUDO-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN COC(=O)c1ccc2cc(O)ccc2c1 ZINC000001651538 383918556 /nfs/dbraw/zinc/91/85/56/383918556.db2.gz UKZOPQRTQJERQC-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN OC(c1ccccc1)(C(F)F)C(F)F ZINC000001675556 383920168 /nfs/dbraw/zinc/92/01/68/383920168.db2.gz XLCUYDHHWTUDSU-UHFFFAOYSA-N 0 0 208.154 2.404 50 0 BEAARN CC(C)(C)c1onc(N)c1Br ZINC000034559175 383884068 /nfs/dbraw/zinc/88/40/68/383884068.db2.gz YFIGFPCNOOJBBC-UHFFFAOYSA-N 0 0 219.082 2.317 50 0 BEAARN CNc1cc(COC)nc(-c2ccccc2)n1 ZINC000001388909 383896903 /nfs/dbraw/zinc/89/69/03/383896903.db2.gz RBQRDPIZTNNZIL-UHFFFAOYSA-N 0 0 229.283 2.332 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCO ZINC000001436025 383898878 /nfs/dbraw/zinc/89/88/78/383898878.db2.gz LTVQOFUGXMVESU-SNVBAGLBSA-N 0 0 229.320 2.158 50 0 BEAARN C=CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000036334201 383899166 /nfs/dbraw/zinc/89/91/66/383899166.db2.gz GTYYMWHDASHQOO-UHFFFAOYSA-N 0 0 241.674 2.482 50 0 BEAARN CN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000036380000 383901829 /nfs/dbraw/zinc/90/18/29/383901829.db2.gz IVHKQRVWSJYCTF-SNVBAGLBSA-N 0 0 233.233 2.042 50 0 BEAARN CC(=O)c1cc(OC(F)(F)F)ccc1O ZINC000002572871 383979155 /nfs/dbraw/zinc/97/91/55/383979155.db2.gz FYWYHQOZXGAPSF-UHFFFAOYSA-N 0 0 220.146 2.493 50 0 BEAARN Cc1ocnc1C(=O)Nc1cccc(F)c1 ZINC000336478703 383979754 /nfs/dbraw/zinc/97/97/54/383979754.db2.gz VEVVIKSIPPKEMW-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN O=C([O-])C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000089713631 383990427 /nfs/dbraw/zinc/99/04/27/383990427.db2.gz BHPYWUDZVIQFTG-CQSZACIVSA-N 0 0 247.338 2.416 50 0 BEAARN CSCC(=O)NCCC1=CCCCC1 ZINC000060781879 383990568 /nfs/dbraw/zinc/99/05/68/383990568.db2.gz MZJHTJYIYHWSOH-UHFFFAOYSA-N 0 0 213.346 2.356 50 0 BEAARN O=C(CCc1ccsc1)NCC(F)(F)F ZINC000060781632 383991350 /nfs/dbraw/zinc/99/13/50/383991350.db2.gz SNDCDHVJTOMPHA-UHFFFAOYSA-N 0 0 237.246 2.359 50 0 BEAARN O=Cc1ccccc1OC(=O)c1ccco1 ZINC000003113548 383998769 /nfs/dbraw/zinc/99/87/69/383998769.db2.gz LLEKWTXOLYKSPR-UHFFFAOYSA-N 0 0 216.192 2.311 50 0 BEAARN CCc1ccccc1-c1cncc(C(N)=O)c1 ZINC000067724309 383938137 /nfs/dbraw/zinc/93/81/37/383938137.db2.gz QLEAJDJAUYVUGJ-UHFFFAOYSA-N 0 0 226.279 2.410 50 0 BEAARN Clc1nccn2cnc(Br)c12 ZINC000089195428 383942202 /nfs/dbraw/zinc/94/22/02/383942202.db2.gz WZCZOMJLUKRBEG-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN COc1c(=O)oc2ccc(Cl)cc2c1OC ZINC000071774105 384000361 /nfs/dbraw/zinc/00/03/61/384000361.db2.gz WNMOHGNFCGHGJY-UHFFFAOYSA-N 0 0 240.642 2.464 50 0 BEAARN O=Cc1ccccc1I ZINC000002168366 383953564 /nfs/dbraw/zinc/95/35/64/383953564.db2.gz WWKKTHALZAYYAI-UHFFFAOYSA-N 0 0 232.020 2.104 50 0 BEAARN c1cn(CCOCc2ccccc2)cn1 ZINC000002167233 383953891 /nfs/dbraw/zinc/95/38/91/383953891.db2.gz AFNYHHLKCZUJER-UHFFFAOYSA-N 0 0 202.257 2.100 50 0 BEAARN CCCCC(=O)CCCC(=O)OCC ZINC000002379048 383959046 /nfs/dbraw/zinc/95/90/46/383959046.db2.gz PVFPEHUCRNRCCE-UHFFFAOYSA-N 0 0 200.278 2.479 50 0 BEAARN Cc1cc(C)c(N)c(Br)n1 ZINC000002454938 383964190 /nfs/dbraw/zinc/96/41/90/383964190.db2.gz YHCPMPRWVKYCQS-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN Nc1ncccc1C(=O)NC1CCCCCC1 ZINC000050201464 383969010 /nfs/dbraw/zinc/96/90/10/383969010.db2.gz KNVMQSLMCZXYOD-UHFFFAOYSA-N 0 0 233.315 2.116 50 0 BEAARN C[C@@H](NC(=O)c1cccnc1N)c1ccccc1 ZINC000050201114 383971573 /nfs/dbraw/zinc/97/15/73/383971573.db2.gz WZARVFBGTBKYHS-SNVBAGLBSA-N 0 0 241.294 2.155 50 0 BEAARN O=Cc1cc(F)cc(Br)c1 ZINC000002528584 383972075 /nfs/dbraw/zinc/97/20/75/383972075.db2.gz MEFQRXHVMJPOKZ-UHFFFAOYSA-N 0 0 203.010 2.401 50 0 BEAARN O=C1[C@H](C(F)(F)F)CN1Cc1ccccc1 ZINC000002548235 383974418 /nfs/dbraw/zinc/97/44/18/383974418.db2.gz LIJGYWMRPFUAIR-SECBINFHSA-N 0 0 229.201 2.207 50 0 BEAARN CCOP(=O)(OCC)c1ccccc1O ZINC000002566638 383975689 /nfs/dbraw/zinc/97/56/89/383975689.db2.gz PKXSKYLWORXHBP-UHFFFAOYSA-N 0 0 230.200 2.284 50 0 BEAARN Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000089558031 383976385 /nfs/dbraw/zinc/97/63/85/383976385.db2.gz RIBXAZRXAREFDT-PHIMTYICSA-N 0 0 234.299 2.164 50 0 BEAARN Cc1cc(C(=O)Nc2cn[nH]c2)sc1C ZINC000035237434 384022981 /nfs/dbraw/zinc/02/29/81/384022981.db2.gz DTLAPIZEMSODMP-UHFFFAOYSA-N 0 0 221.285 2.340 50 0 BEAARN CN(CC1(C)CCOCC1)C(=O)c1ccco1 ZINC000257182423 384023564 /nfs/dbraw/zinc/02/35/64/384023564.db2.gz PEVGDOQJMMDNGQ-UHFFFAOYSA-N 0 0 237.299 2.168 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)Nc2cn[nH]c2)o1 ZINC000043721605 384024301 /nfs/dbraw/zinc/02/43/01/384024301.db2.gz BIPKCIIGNQELHT-MRVPVSSYSA-N 0 0 234.259 2.194 50 0 BEAARN COC(=O)c1cccc(-c2cnco2)c1 ZINC000004200684 384044765 /nfs/dbraw/zinc/04/47/65/384044765.db2.gz JKKAJBRBOVEEGT-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN COC(=O)c1cc2c([nH]1)c(C)ccc2OC ZINC000004235018 384050389 /nfs/dbraw/zinc/05/03/89/384050389.db2.gz DYMPANGXLZFRJS-UHFFFAOYSA-N 0 0 219.240 2.272 50 0 BEAARN O=Cc1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000003882305 384031302 /nfs/dbraw/zinc/03/13/02/384031302.db2.gz QRUKDHRPKVWTHQ-UHFFFAOYSA-N 0 0 249.653 2.472 50 0 BEAARN COC(=O)c1ccc(-c2ccc(N)cn2)cc1 ZINC000003884059 384032169 /nfs/dbraw/zinc/03/21/69/384032169.db2.gz CUVFODCVMGKLTH-UHFFFAOYSA-N 0 0 228.251 2.117 50 0 BEAARN c1ccc2c(c1)ccc1c2[C@H]2NOC[C@@H]2CO1 ZINC000004040061 384038849 /nfs/dbraw/zinc/03/88/49/384038849.db2.gz QAXKEZGOMLRGLA-HZMBPMFUSA-N 0 0 227.263 2.424 50 0 BEAARN CO[C@H]1CCC12CCN(C(=O)c1ccco1)CC2 ZINC000257182828 384042198 /nfs/dbraw/zinc/04/21/98/384042198.db2.gz QFFGSECNYSOSKI-LBPRGKRZSA-N 0 0 249.310 2.311 50 0 BEAARN Cc1cn(CC(=O)NCC2CC2)c2ccccc12 ZINC000050558195 384084685 /nfs/dbraw/zinc/08/46/85/384084685.db2.gz BMYPKPGTNXSUEB-UHFFFAOYSA-N 0 0 242.322 2.476 50 0 BEAARN Cc1noc(-c2ccc(Br)cn2)n1 ZINC000090549672 384060000 /nfs/dbraw/zinc/06/00/00/384060000.db2.gz CTNBHHKFCAFNSS-UHFFFAOYSA-N 0 0 240.060 2.203 50 0 BEAARN O=Cc1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053668 384060362 /nfs/dbraw/zinc/06/03/62/384060362.db2.gz QDBNQACVIQTGIN-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN CN(Cc1nc2ccccc2[nH]1)C(=O)C1CCC1 ZINC000029329573 384090962 /nfs/dbraw/zinc/09/09/62/384090962.db2.gz LVKYFKQEFXWHNE-UHFFFAOYSA-N 0 0 243.310 2.321 50 0 BEAARN C[C@@H](NC(=O)CCc1ccccc1)[C@H]1CCCO1 ZINC000004750097 384080862 /nfs/dbraw/zinc/08/08/62/384080862.db2.gz MSYYKCYKMWGJIK-TZMCWYRMSA-N 0 0 247.338 2.303 50 0 BEAARN FC(F)(F)c1ncncc1Br ZINC000038313407 384081886 /nfs/dbraw/zinc/08/18/86/384081886.db2.gz XQBMNXRFVINPTJ-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000000341512 384082430 /nfs/dbraw/zinc/08/24/30/384082430.db2.gz YCUDSFUXMCHWQI-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN O=C1NCCc2ccccc2[C@@H]1c1ccccc1 ZINC000000347228 384096713 /nfs/dbraw/zinc/09/67/13/384096713.db2.gz MNYMLRZPVPLNGN-HNNXBMFYSA-N 0 0 237.302 2.491 50 0 BEAARN CC(C)(C)c1cc(=O)[nH]c(C(C)(C)C)n1 ZINC000005053243 384098807 /nfs/dbraw/zinc/09/88/07/384098807.db2.gz PZLGMNBLXLMEIM-UHFFFAOYSA-N 0 0 208.305 2.365 50 0 BEAARN O=CC(=O)c1ccccc1C(F)(F)F ZINC000005240965 384108946 /nfs/dbraw/zinc/10/89/46/384108946.db2.gz HBOSPPHIPGYHDI-UHFFFAOYSA-N 0 0 202.131 2.087 50 0 BEAARN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)O ZINC000005276213 384109027 /nfs/dbraw/zinc/10/90/27/384109027.db2.gz UJNOLBSYLSYIBM-WHOHXGKFSA-N 0 0 228.332 2.371 50 0 BEAARN CC(=O)N1[C@H](Nc2ccccc2)CCN1C(C)C ZINC000005250022 384109873 /nfs/dbraw/zinc/10/98/73/384109873.db2.gz AARKFCKJQBWTHF-AWEZNQCLSA-N 0 0 247.342 2.302 50 0 BEAARN Cc1ccc(C)c(-c2cc3c(=O)[nH]ccn3n2)c1 ZINC000070459045 384110960 /nfs/dbraw/zinc/11/09/60/384110960.db2.gz JDRMQRHRAIKVLK-UHFFFAOYSA-N 0 0 239.278 2.306 50 0 BEAARN Cc1cc(C(N)=O)c(F)cc1C(F)(F)F ZINC000091252357 384111771 /nfs/dbraw/zinc/11/17/71/384111771.db2.gz YHTYNOXDHGBXMS-UHFFFAOYSA-N 0 0 221.153 2.252 50 0 BEAARN Cc1ccc(OC(F)(F)F)cc1CO ZINC000091252035 384112616 /nfs/dbraw/zinc/11/26/16/384112616.db2.gz NIZSWVZPENQEME-UHFFFAOYSA-N 0 0 206.163 2.386 50 0 BEAARN CCCCNC(=O)[C@H](C)Oc1ccccc1 ZINC000005419776 384114344 /nfs/dbraw/zinc/11/43/44/384114344.db2.gz VKLGBMPMXLSORW-NSHDSACASA-N 0 0 221.300 2.370 50 0 BEAARN COC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000091293252 384115582 /nfs/dbraw/zinc/11/55/82/384115582.db2.gz RYRYWRGTTHIMLM-UHFFFAOYSA-N 0 0 244.172 2.140 50 0 BEAARN Cc1noc(C)c1C(=O)NCc1ccc(F)cc1 ZINC000005466498 384115672 /nfs/dbraw/zinc/11/56/72/384115672.db2.gz DJMWGLAHIJEJHX-UHFFFAOYSA-N 0 0 248.257 2.361 50 0 BEAARN Cc1nc(SCc2ccccc2)n[nH]1 ZINC000005730078 384126728 /nfs/dbraw/zinc/12/67/28/384126728.db2.gz VTZCBPXYGXVXMP-UHFFFAOYSA-N 0 0 205.286 2.405 50 0 BEAARN Clc1ccc(OCCn2ccnn2)cc1 ZINC000128064041 384137700 /nfs/dbraw/zinc/13/77/00/384137700.db2.gz BOLGMIJZOOMBHD-UHFFFAOYSA-N 0 0 223.663 2.011 50 0 BEAARN Cc1n[nH]cc1CNC(C)(C)c1nccs1 ZINC000116380094 384131808 /nfs/dbraw/zinc/13/18/08/384131808.db2.gz DXUAMHSFIRWMIM-UHFFFAOYSA-N 0 0 236.344 2.200 50 0 BEAARN Nc1cc(F)cc(Br)c1F ZINC000091691919 384138153 /nfs/dbraw/zinc/13/81/53/384138153.db2.gz JBGGFYZUDGDHMN-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Cc1ccc(S(=O)(=O)Cc2ccccn2)cc1 ZINC000006234959 384147352 /nfs/dbraw/zinc/14/73/52/384147352.db2.gz QGNMAZRZCNMQGA-UHFFFAOYSA-N 0 0 247.319 2.364 50 0 BEAARN CC(=O)n1cc2cc(Br)ccc2n1 ZINC000040448079 384152360 /nfs/dbraw/zinc/15/23/60/384152360.db2.gz RYKJIXYJUGUSAX-UHFFFAOYSA-N 0 0 239.072 2.459 50 0 BEAARN FC(F)(F)c1cccc(-n2ccnc2)n1 ZINC000040456697 384153684 /nfs/dbraw/zinc/15/36/84/384153684.db2.gz JPUQWWQTPRLRLB-UHFFFAOYSA-N 0 0 213.162 2.286 50 0 BEAARN COC(=O)c1c(N)ccc(Br)c1C ZINC000071257427 384155986 /nfs/dbraw/zinc/15/59/86/384155986.db2.gz FDOYATWYGLRGGF-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(F)CC1 ZINC000071257524 384156360 /nfs/dbraw/zinc/15/63/60/384156360.db2.gz DJLUMPJNBNIWSM-UHFFFAOYSA-N 0 0 203.257 2.355 50 0 BEAARN COc1cc(Cl)cc(OC)c1OC ZINC000116471954 384139223 /nfs/dbraw/zinc/13/92/23/384139223.db2.gz KCFLDXPYPAKRND-UHFFFAOYSA-N 0 0 202.637 2.366 50 0 BEAARN Cc1ccc(CN(CCO)Cc2ccc(C)o2)o1 ZINC000004699212 384174827 /nfs/dbraw/zinc/17/48/27/384174827.db2.gz IXKAJFWCCPHEKY-UHFFFAOYSA-N 0 0 249.310 2.484 50 0 BEAARN Cc1cc(C(=O)Nc2cccc(F)c2)no1 ZINC000006646713 384159895 /nfs/dbraw/zinc/15/98/95/384159895.db2.gz BIMWODCMMDIPSM-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CC(=O)c1ccc2c(c1)C[C@H](C)C(=O)N2C ZINC000000383274 384162417 /nfs/dbraw/zinc/16/24/17/384162417.db2.gz FJXQXDFDOBGEKQ-QMMMGPOBSA-N 0 0 217.268 2.044 50 0 BEAARN CCCCNS(=O)(=O)c1cc(F)ccc1F ZINC000006699289 384162855 /nfs/dbraw/zinc/16/28/55/384162855.db2.gz AWBHCSABORVBEI-UHFFFAOYSA-N 0 0 249.282 2.043 50 0 BEAARN COC(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000006700553 384163426 /nfs/dbraw/zinc/16/34/26/384163426.db2.gz ADVHDXBTVYCPHE-UHFFFAOYSA-N 0 0 230.267 2.480 50 0 BEAARN CCCCNC(=O)c1onc(C)c1Cl ZINC000006738126 384164844 /nfs/dbraw/zinc/16/48/44/384164844.db2.gz BHGVWRDSRRWKSB-UHFFFAOYSA-N 0 0 216.668 2.166 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c(C)o1 ZINC000006726416 384165960 /nfs/dbraw/zinc/16/59/60/384165960.db2.gz AHMXBVWBAAPFBY-SKDRFNHKSA-N 0 0 237.299 2.194 50 0 BEAARN CNc1cc(C)nc2c3c(nn21)nc(C)cc3C ZINC000006764242 384167140 /nfs/dbraw/zinc/16/71/40/384167140.db2.gz KCVXHBMOEQMWOO-UHFFFAOYSA-N 0 0 241.298 2.244 50 0 BEAARN CCOCCCC(=O)N(C)c1cccc(C)n1 ZINC000071911358 384167158 /nfs/dbraw/zinc/16/71/58/384167158.db2.gz UCWIESCHFHTYSJ-UHFFFAOYSA-N 0 0 236.315 2.170 50 0 BEAARN c1ccc(COn2nnc3ccccc32)cc1 ZINC000006864233 384169089 /nfs/dbraw/zinc/16/90/89/384169089.db2.gz LNSUYGWECNYHGG-UHFFFAOYSA-N 0 0 225.251 2.060 50 0 BEAARN Cc1cc(CN(C)Cc2nc(C)ccc2O)no1 ZINC000092254174 384171226 /nfs/dbraw/zinc/17/12/26/384171226.db2.gz WHVJJEQSULFPQV-UHFFFAOYSA-N 0 0 247.298 2.024 50 0 BEAARN CC(=O)Oc1cccc2c1CC[C@@H]2OC(C)=O ZINC000071773425 384178159 /nfs/dbraw/zinc/17/81/59/384178159.db2.gz KDHVZYREKPGLHP-ZDUSSCGKSA-N 0 0 234.251 2.162 50 0 BEAARN CCCCC[C@H](C(C)=O)n1nc(C)ccc1=O ZINC000071773415 384178383 /nfs/dbraw/zinc/17/83/83/384178383.db2.gz DBBHILAMXCQEHQ-GFCCVEGCSA-N 0 0 236.315 2.262 50 0 BEAARN Cc1c(CNc2nnc(C(C)(C)C)o2)cnn1C ZINC000097375376 384178541 /nfs/dbraw/zinc/17/85/41/384178541.db2.gz JWNOZOPBOYQXPS-UHFFFAOYSA-N 0 0 249.318 2.021 50 0 BEAARN Cn1cc2cc(F)c(Br)cc2n1 ZINC000071790121 384179304 /nfs/dbraw/zinc/17/93/04/384179304.db2.gz XDHISPQFGNFCCC-UHFFFAOYSA-N 0 0 229.052 2.475 50 0 BEAARN COC(=O)c1cc(Cl)c(Cl)nc1C ZINC000071790762 384180042 /nfs/dbraw/zinc/18/00/42/384180042.db2.gz UQGCQTYKUJHQPF-UHFFFAOYSA-N 0 0 220.055 2.483 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2ccn(C)n2)cc1 ZINC000002760862 384184411 /nfs/dbraw/zinc/18/44/11/384184411.db2.gz QZDFVEQFHGZRHR-NSHDSACASA-N 0 0 243.310 2.220 50 0 BEAARN CC(=O)N1CCCC[C@H]1c1cncc(Cl)n1 ZINC000072344256 384208384 /nfs/dbraw/zinc/20/83/84/384208384.db2.gz ZPPLJNZKJNTQBJ-JTQLQIEISA-N 0 0 239.706 2.204 50 0 BEAARN COC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000092620820 384186222 /nfs/dbraw/zinc/18/62/22/384186222.db2.gz BZSIMKLZANLUDE-UHFFFAOYSA-N 0 0 236.267 2.429 50 0 BEAARN CC(=O)N[C@]1([C@@H]2C=CCCC2)C=COCC1 ZINC000072194102 384198141 /nfs/dbraw/zinc/19/81/41/384198141.db2.gz CVVYCUUQSLWFTJ-CHWSQXEVSA-N 0 0 221.300 2.152 50 0 BEAARN CCCc1cc(NCCOCC)n2nccc2n1 ZINC000072166221 384198337 /nfs/dbraw/zinc/19/83/37/384198337.db2.gz OEOBPFQUNLOLDW-UHFFFAOYSA-N 0 0 248.330 2.130 50 0 BEAARN C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208667 384199158 /nfs/dbraw/zinc/19/91/58/384199158.db2.gz SQOMPUDOUGDJPH-SECBINFHSA-N 0 0 229.320 2.014 50 0 BEAARN Cc1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000072206904 384199935 /nfs/dbraw/zinc/19/99/35/384199935.db2.gz DMDQBEGIPFNTRA-UHFFFAOYSA-N 0 0 222.288 2.415 50 0 BEAARN CC(C)(C)C1CCC([NH3+])(CC(=O)[O-])CC1 ZINC000072220526 384200046 /nfs/dbraw/zinc/20/00/46/384200046.db2.gz MQHOOJXJODKEFU-UHFFFAOYSA-N 0 0 213.321 2.395 50 0 BEAARN CCCc1nc(-n2cccc2)sc1CO ZINC000072332261 384208594 /nfs/dbraw/zinc/20/85/94/384208594.db2.gz ORXBULBLMRRZAN-UHFFFAOYSA-N 0 0 222.313 2.379 50 0 BEAARN COC(=O)c1ccc(Cc2ccccc2)[nH]1 ZINC000072324045 384208775 /nfs/dbraw/zinc/20/87/75/384208775.db2.gz FMWQVNWZRAQOBM-UHFFFAOYSA-N 0 0 215.252 2.392 50 0 BEAARN Cc1ccc(CN2CCC[C@H]2CF)nc1 ZINC000336596124 384240110 /nfs/dbraw/zinc/24/01/10/384240110.db2.gz OPNFXFHTNOBPDJ-LBPRGKRZSA-N 0 0 208.280 2.324 50 0 BEAARN O=Cc1cnc(-c2ccc(F)cc2)nc1 ZINC000008731031 384213282 /nfs/dbraw/zinc/21/32/82/384213282.db2.gz SIOJHESLZIPEKQ-UHFFFAOYSA-N 0 0 202.188 2.095 50 0 BEAARN O=C(CC1CC1)NC1CCC(F)(F)CC1 ZINC000336434557 384227387 /nfs/dbraw/zinc/22/73/87/384227387.db2.gz VIISTQMTAMUFQA-UHFFFAOYSA-N 0 0 217.259 2.481 50 0 BEAARN Clc1cnc(N2C[C@H]3CCC[C@@H]3C2)nc1 ZINC000336474701 384227832 /nfs/dbraw/zinc/22/78/32/384227832.db2.gz PKKNDDKUXLHLLU-RKDXNWHRSA-N 0 0 223.707 2.366 50 0 BEAARN CCCCNC(=O)c1ccc(C(=O)OC)cc1 ZINC000010454596 384272680 /nfs/dbraw/zinc/27/26/80/384272680.db2.gz RTOAFYYWYCMMTQ-UHFFFAOYSA-N 0 0 235.283 2.003 50 0 BEAARN CCCCNC(=O)c1cccc(C(=O)OC)c1 ZINC000010292212 384273815 /nfs/dbraw/zinc/27/38/15/384273815.db2.gz HGWOEXTYXDUSAA-UHFFFAOYSA-N 0 0 235.283 2.003 50 0 BEAARN CO[C@@H]1C[C@@H](N(C)c2ccnc(C)n2)C12CCC2 ZINC000408519647 384276043 /nfs/dbraw/zinc/27/60/43/384276043.db2.gz KURTXKKMECYRON-VXGBXAGGSA-N 0 0 247.342 2.179 50 0 BEAARN COC(=O)c1cc(C)cc2nc(C)oc21 ZINC000043827650 384304358 /nfs/dbraw/zinc/30/43/58/384304358.db2.gz RXSJCIPIBSXOEX-UHFFFAOYSA-N 0 0 205.213 2.231 50 0 BEAARN CN(C)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000335592704 384309232 /nfs/dbraw/zinc/30/92/32/384309232.db2.gz SIRYXEKRKBBAIR-QMMMGPOBSA-N 0 0 220.263 2.083 50 0 BEAARN CNS(=O)(=O)c1ccc(C)c2ccccc21 ZINC000012291172 384310628 /nfs/dbraw/zinc/31/06/28/384310628.db2.gz MFJMOKJJBKMNTB-UHFFFAOYSA-N 0 0 235.308 2.056 50 0 BEAARN Cc1cccc(Nc2nc(O)cs2)c1 ZINC000012345234 384314348 /nfs/dbraw/zinc/31/43/48/384314348.db2.gz GFQLBTVJHQTLFT-UHFFFAOYSA-N 0 0 206.270 2.036 50 0 BEAARN O=C1NCCc2c3cccc(Cl)c3[nH]c21 ZINC000000394561 384316529 /nfs/dbraw/zinc/31/65/29/384316529.db2.gz ILCLBYYAGZLAGC-UHFFFAOYSA-N 0 0 220.659 2.107 50 0 BEAARN O=Cc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000012404823 384319121 /nfs/dbraw/zinc/31/91/21/384319121.db2.gz YZEMIKQHEIXAPV-UHFFFAOYSA-N 0 0 233.248 2.351 50 0 BEAARN COC(=O)c1ccc(Br)c(OC)c1 ZINC000012471579 384323105 /nfs/dbraw/zinc/32/31/05/384323105.db2.gz XLKDKHRGIJWOSN-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN CS[C@@H]1CCN(c2ccc(F)cn2)C1 ZINC000295067598 384284345 /nfs/dbraw/zinc/28/43/45/384284345.db2.gz WAIWESRJTYRJEL-SECBINFHSA-N 0 0 212.293 2.162 50 0 BEAARN COC(=O)c1cc(Br)c(C)cc1O ZINC000034546981 384285682 /nfs/dbraw/zinc/28/56/82/384285682.db2.gz DEMKAVJRIYGNEQ-UHFFFAOYSA-N 0 0 245.072 2.250 50 0 BEAARN O=C1CCc2c1cccc2OCCC1(O)CCC1 ZINC000408521218 384286897 /nfs/dbraw/zinc/28/68/97/384286897.db2.gz MIXXJTODPUEHDP-UHFFFAOYSA-N 0 0 246.306 2.499 50 0 BEAARN Cc1nonc1-c1csc([C@H]2CCCO2)n1 ZINC000408523550 384290362 /nfs/dbraw/zinc/29/03/62/384290362.db2.gz LCDIMFLNZINCKE-MRVPVSSYSA-N 0 0 237.284 2.353 50 0 BEAARN CCSCCN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000097046849 384299998 /nfs/dbraw/zinc/29/99/98/384299998.db2.gz WDZRXZFXGQBROW-GFCCVEGCSA-N 0 0 243.372 2.161 50 0 BEAARN CCSCCN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000097046848 384300843 /nfs/dbraw/zinc/30/08/43/384300843.db2.gz WDZRXZFXGQBROW-LBPRGKRZSA-N 0 0 243.372 2.161 50 0 BEAARN Brc1nnc(C2CC2)s1 ZINC000011920564 384301797 /nfs/dbraw/zinc/30/17/97/384301797.db2.gz ZOJLUEJDUYUPCT-UHFFFAOYSA-N 0 0 205.080 2.178 50 0 BEAARN Cc1noc(NCc2cc(C)ccc2F)n1 ZINC000097045273 384302378 /nfs/dbraw/zinc/30/23/78/384302378.db2.gz MOEIFZOZJLYTJH-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN O=C1OCC[C@H]1SCc1ccccc1 ZINC000032666570 384343838 /nfs/dbraw/zinc/34/38/38/384343838.db2.gz BUHIWFOKIGGYTL-SNVBAGLBSA-N 0 0 208.282 2.235 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)c(C)c1 ZINC000012971378 384344471 /nfs/dbraw/zinc/34/44/71/384344471.db2.gz ICNWKIZOJRUILK-KWQFWETISA-N 0 0 247.294 2.376 50 0 BEAARN CC(C)(C)c1ccc(C(=O)Nc2nc[nH]n2)cc1 ZINC000013118641 384350152 /nfs/dbraw/zinc/35/01/52/384350152.db2.gz QTWFVXYPXUVZHJ-UHFFFAOYSA-N 0 0 244.298 2.355 50 0 BEAARN c1nc(S[C@H]2CCc3ccccc3C2)n[nH]1 ZINC000097103005 384356584 /nfs/dbraw/zinc/35/65/84/384356584.db2.gz YLNZZTPKVQOILE-NSHDSACASA-N 0 0 231.324 2.454 50 0 BEAARN CC(C)C[C@H]1CCCN1C(=O)c1ncccc1O ZINC000097102386 384360157 /nfs/dbraw/zinc/36/01/57/384360157.db2.gz PJVUGWLUVKDKQM-LLVKDONJSA-N 0 0 248.326 2.438 50 0 BEAARN C[C@@H]1CN(c2ncc(Cl)cn2)CCS1 ZINC000095406800 384374522 /nfs/dbraw/zinc/37/45/22/384374522.db2.gz GIZQCIWQPSCETD-SSDOTTSWSA-N 0 0 229.736 2.072 50 0 BEAARN COC(=O)c1ccc(N)c(NC(C)(C)C)c1 ZINC000095217850 384367774 /nfs/dbraw/zinc/36/77/74/384367774.db2.gz MCVMUVHFLYEHBK-UHFFFAOYSA-N 0 0 222.288 2.266 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=O ZINC000095348192 384371300 /nfs/dbraw/zinc/37/13/00/384371300.db2.gz JKQHPVNJIQJWGV-SECBINFHSA-N 0 0 227.304 2.413 50 0 BEAARN FC(F)(F)c1ccnc(Br)n1 ZINC000012506121 384323284 /nfs/dbraw/zinc/32/32/84/384323284.db2.gz RHCZXIKKGYOYQZ-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN Cc1cccc(N2CCC(n3cccn3)CC2)n1 ZINC000097096610 384333896 /nfs/dbraw/zinc/33/38/96/384333896.db2.gz VTJUIWFBZDPMHK-UHFFFAOYSA-N 0 0 242.326 2.428 50 0 BEAARN Cc1nn(C(O)=S)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000095829777 384400709 /nfs/dbraw/zinc/40/07/09/384400709.db2.gz RQQLKYZMMLKYHE-HZGVNTEJSA-N 0 0 222.313 2.178 50 0 BEAARN COC(=O)c1c(C)cccc1NC(=O)C1CC1 ZINC000032848547 384402277 /nfs/dbraw/zinc/40/22/77/384402277.db2.gz LPTVXORNDIJEHO-UHFFFAOYSA-N 0 0 233.267 2.130 50 0 BEAARN Cn1cc(N)c(Oc2ccc(F)cc2F)n1 ZINC000095836579 384402371 /nfs/dbraw/zinc/40/23/71/384402371.db2.gz YQOKNMSSSAPZFT-UHFFFAOYSA-N 0 0 225.198 2.073 50 0 BEAARN CSCCCN(C)Cc1nncn1C(C)C ZINC000077339655 384402502 /nfs/dbraw/zinc/40/25/02/384402502.db2.gz JIWATTYDQJFSTC-UHFFFAOYSA-N 0 0 242.392 2.044 50 0 BEAARN Cc1nccn1-c1ccc(Cl)cc1N ZINC000015019551 384415234 /nfs/dbraw/zinc/41/52/34/384415234.db2.gz SGCQDTYTRZFEPP-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN O=S(=O)(CC(F)(F)F)c1ccccc1 ZINC000015019000 384415970 /nfs/dbraw/zinc/41/59/70/384415970.db2.gz ZMLUMHDKFJARJL-UHFFFAOYSA-N 0 0 224.203 2.023 50 0 BEAARN COc1ncccc1C(=O)NCc1ccccc1 ZINC000032755096 384376076 /nfs/dbraw/zinc/37/60/76/384376076.db2.gz CWZXUMTUFSQVFR-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ncccc1CNc1nc(C)cc(C)n1 ZINC000032779279 384377532 /nfs/dbraw/zinc/37/75/32/384377532.db2.gz JOMFVPPCHHOZFO-UHFFFAOYSA-N 0 0 244.298 2.109 50 0 BEAARN COC(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000095496040 384379222 /nfs/dbraw/zinc/37/92/22/384379222.db2.gz IHTGNEMBMFZRCA-UHFFFAOYSA-N 0 0 245.282 2.333 50 0 BEAARN C[C@@H](Cc1cccs1)C(=O)Nc1cnccn1 ZINC000097146324 384382219 /nfs/dbraw/zinc/38/22/19/384382219.db2.gz PAXGIVNSXIVDAF-VIFPVBQESA-N 0 0 247.323 2.355 50 0 BEAARN Clc1ncnc2c(Cl)nccc12 ZINC000095616525 384382602 /nfs/dbraw/zinc/38/26/02/384382602.db2.gz YXWADPHHQXVLEL-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN Clc1ccc2c(Br)[nH]nc2n1 ZINC000095628714 384383325 /nfs/dbraw/zinc/38/33/25/384383325.db2.gz RLPKMCBJXWGFGK-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Cn1ccc2c1nccc2Br ZINC000095707359 384390871 /nfs/dbraw/zinc/39/08/71/384390871.db2.gz WZHKLWVRBGNOFE-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Cn1nccc1C(=O)N1CCCc2ccccc21 ZINC000000052679 384457536 /nfs/dbraw/zinc/45/75/36/384457536.db2.gz NKNYEBRWZNLSQF-UHFFFAOYSA-N 0 0 241.294 2.013 50 0 BEAARN Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000096034450 384427622 /nfs/dbraw/zinc/42/76/22/384427622.db2.gz NBUIPZPBPWVALC-UHFFFAOYSA-N 0 0 234.299 2.037 50 0 BEAARN Cc1n[nH]c(C)c1-c1ccc(Cl)c(C(N)=O)c1 ZINC000096151881 384436702 /nfs/dbraw/zinc/43/67/02/384436702.db2.gz QNPRYHRUVVUTFI-UHFFFAOYSA-N 0 0 249.701 2.446 50 0 BEAARN CN(Cc1ccc(Cl)cc1)[C@H]1CCOC1=O ZINC000032904951 384441871 /nfs/dbraw/zinc/44/18/71/384441871.db2.gz HFUSRAFRKNEFEU-NSHDSACASA-N 0 0 239.702 2.087 50 0 BEAARN CCC(CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000016602802 384461455 /nfs/dbraw/zinc/46/14/55/384461455.db2.gz BQIOQFSXHSKDHT-ONGXEEELSA-N 0 0 213.321 2.106 50 0 BEAARN Fc1ccc2c(c1)CCN(Cc1csnn1)C2 ZINC000097235452 384464621 /nfs/dbraw/zinc/46/46/21/384464621.db2.gz TWOYPFGMGDSFGU-UHFFFAOYSA-N 0 0 249.314 2.236 50 0 BEAARN NNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000096663684 384471491 /nfs/dbraw/zinc/47/14/91/384471491.db2.gz AFLZCIWAFAJVGP-UHFFFAOYSA-N 0 0 224.613 2.322 50 0 BEAARN COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000018166831 384499781 /nfs/dbraw/zinc/49/97/81/384499781.db2.gz SJAHLWMIVWUWKH-UHFFFAOYSA-N 0 0 220.203 2.002 50 0 BEAARN CCO[C@@H](C)C(=O)N(C)C1CCC(C)CC1 ZINC000097293591 384501614 /nfs/dbraw/zinc/50/16/14/384501614.db2.gz XRFOYHRGYOATND-CXQJBGSLSA-N 0 0 227.348 2.449 50 0 BEAARN c1nc(CNCCOc2ccccc2)cs1 ZINC000048777092 384508146 /nfs/dbraw/zinc/50/81/46/384508146.db2.gz KJAIHIAOWCALQU-UHFFFAOYSA-N 0 0 234.324 2.312 50 0 BEAARN O=Cc1ccc(OCCCn2ccnc2)cc1 ZINC000019094217 384509794 /nfs/dbraw/zinc/50/97/94/384509794.db2.gz JRHFVNNSDNOHGT-UHFFFAOYSA-N 0 0 230.267 2.165 50 0 BEAARN CC(C)CCNC(=O)c1ccc(N)cc1 ZINC000019276369 384516665 /nfs/dbraw/zinc/51/66/65/384516665.db2.gz VAUAVJDYLXCRSN-UHFFFAOYSA-N 0 0 206.289 2.045 50 0 BEAARN O=C([O-])CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000238163992 384525860 /nfs/dbraw/zinc/52/58/60/384525860.db2.gz ZOFSOYDRYXGPOW-ZDUSSCGKSA-N 0 0 233.311 2.026 50 0 BEAARN O=Cc1ccc(OCC(F)(F)F)cc1 ZINC000019518445 384529199 /nfs/dbraw/zinc/52/91/99/384529199.db2.gz VQGWQLMGMVUITG-UHFFFAOYSA-N 0 0 204.147 2.440 50 0 BEAARN CC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000295463115 384530329 /nfs/dbraw/zinc/53/03/29/384530329.db2.gz QETQHJQHKHHJAX-UHFFFAOYSA-N 0 0 227.666 2.384 50 0 BEAARN COCCN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000019642032 384532051 /nfs/dbraw/zinc/53/20/51/384532051.db2.gz CPZVEOXVOATVET-UHFFFAOYSA-N 0 0 245.326 2.155 50 0 BEAARN c1csc(CN2CCC(c3cc[nH]n3)CC2)n1 ZINC000097570903 384532991 /nfs/dbraw/zinc/53/29/91/384532991.db2.gz XAWVIALRWJVZEO-UHFFFAOYSA-N 0 0 248.355 2.246 50 0 BEAARN C[C@@H]1OC(=O)N2c3ccc(O)cc3CC[C@@H]12 ZINC000148618223 384543676 /nfs/dbraw/zinc/54/36/76/384543676.db2.gz PWTSSEKEPVZNIO-XVKPBYJWSA-N 0 0 219.240 2.052 50 0 BEAARN CC(C)CCOC(=O)[C@@H](N)c1ccccc1 ZINC000019898976 384552316 /nfs/dbraw/zinc/55/23/16/384552316.db2.gz OVJJILSKYWXGBM-LBPRGKRZSA-N 0 0 221.300 2.276 50 0 in-man BEAARN Cc1ccnc(NC(=O)Cc2ccc(F)cc2)n1 ZINC000000815598 384552553 /nfs/dbraw/zinc/55/25/53/384552553.db2.gz YGOUMUOYEATILN-UHFFFAOYSA-N 0 0 245.257 2.105 50 0 BEAARN COC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000097756879 384553791 /nfs/dbraw/zinc/55/37/91/384553791.db2.gz AVSUEWDZNVTLFF-UHFFFAOYSA-N 0 0 207.204 2.023 50 0 BEAARN Nc1nc2c(cc(Br)cc2F)o1 ZINC000097757442 384553797 /nfs/dbraw/zinc/55/37/97/384553797.db2.gz CHMSLSCRHMLSMC-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN COC(=O)Cc1c[nH]c2ccc(C)cc12 ZINC000097756989 384554818 /nfs/dbraw/zinc/55/48/18/384554818.db2.gz UIYIBMLDTGOXKB-UHFFFAOYSA-N 0 0 203.241 2.192 50 0 BEAARN Nc1nc2cc(Br)c(F)cc2o1 ZINC000097757396 384554838 /nfs/dbraw/zinc/55/48/38/384554838.db2.gz CLQSKKMZGJCSRE-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN Nc1nc(NC2CC2)cc(-c2cccc(F)c2)n1 ZINC000097785223 384557790 /nfs/dbraw/zinc/55/77/90/384557790.db2.gz OFDXUEUSZMVPOI-UHFFFAOYSA-N 0 0 244.273 2.439 50 0 BEAARN COC(=O)CCCC(=O)c1ccc(F)cc1 ZINC000049819607 384568841 /nfs/dbraw/zinc/56/88/41/384568841.db2.gz TVNYNMWSTIOQCP-UHFFFAOYSA-N 0 0 224.231 2.352 50 0 BEAARN COC(=O)C[C@H](c1cccc(O)c1)C1CC1 ZINC000098213343 384604449 /nfs/dbraw/zinc/60/44/49/384604449.db2.gz PXBFBXFVUPMAJK-LBPRGKRZSA-N 0 0 220.268 2.449 50 0 BEAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100002510 384607267 /nfs/dbraw/zinc/60/72/67/384607267.db2.gz KQVNCFJZEZPYOS-STQMWFEESA-N 0 0 241.290 2.138 50 0 BEAARN Nc1ncccc1-c1nc2ccccc2[nH]1 ZINC000020272703 384609578 /nfs/dbraw/zinc/60/95/78/384609578.db2.gz DXSFSGMRGCIRSG-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN Cc1cnn([C@@H](C)c2ccsc2)c1N ZINC000050345082 384617954 /nfs/dbraw/zinc/61/79/54/384617954.db2.gz NWIDZNXGFKMKLF-QMMMGPOBSA-N 0 0 207.302 2.445 50 0 BEAARN O=C1Nc2ccccc2[C@@H]1Cc1ccccn1 ZINC000100226487 384624276 /nfs/dbraw/zinc/62/42/76/384624276.db2.gz PUNDIKJAFURLNT-LBPRGKRZSA-N 0 0 224.263 2.360 50 0 BEAARN O=C(CC1=NCCS1)c1cccs1 ZINC000100239684 384626480 /nfs/dbraw/zinc/62/64/80/384626480.db2.gz GRNLVUIKHUJKJG-UHFFFAOYSA-N 0 0 211.311 2.466 50 0 BEAARN COc1ncccc1NC(=O)NCc1ccoc1 ZINC000048236618 384627172 /nfs/dbraw/zinc/62/71/72/384627172.db2.gz RWWDTDROIWBZAR-UHFFFAOYSA-N 0 0 247.254 2.005 50 0 BEAARN O=C([C@@H]1CCCOC1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456266033 384664443 /nfs/dbraw/zinc/66/44/43/384664443.db2.gz CRHSMBGBLSQOFK-RDBSUJKOSA-N 0 0 249.354 2.060 50 0 BEAARN CCCc1nc(CN(C)CC(C)(C)O)cs1 ZINC000071908311 384676487 /nfs/dbraw/zinc/67/64/87/384676487.db2.gz XRUCBWKQQWSJGF-UHFFFAOYSA-N 0 0 242.388 2.298 50 0 BEAARN CO[C@H](C)CC(=O)Nc1ccc(O)c(Cl)c1 ZINC000097060367 384634927 /nfs/dbraw/zinc/63/49/27/384634927.db2.gz LZTJSXVLHAHOQC-SSDOTTSWSA-N 0 0 243.690 2.409 50 0 BEAARN Cc1ccnn1-c1ccc(C(=O)NC2CC2)cc1 ZINC000020903845 384639165 /nfs/dbraw/zinc/63/91/65/384639165.db2.gz SHIALZPEZOWTBN-UHFFFAOYSA-N 0 0 241.294 2.073 50 0 BEAARN CCCCCc1cn(C[C@@H]2CCCO2)nn1 ZINC000082010537 384645524 /nfs/dbraw/zinc/64/55/24/384645524.db2.gz TZTFCYKEYYYKRD-LBPRGKRZSA-N 0 0 223.320 2.190 50 0 BEAARN CCOc1ccccc1C1CC(=O)CC(=O)C1 ZINC000100556062 384646830 /nfs/dbraw/zinc/64/68/30/384646830.db2.gz RWNZUMBWRXGNCO-UHFFFAOYSA-N 0 0 232.279 2.491 50 0 BEAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cccc(O)c1 ZINC000100759193 384654500 /nfs/dbraw/zinc/65/45/00/384654500.db2.gz SDNPBOXTUOIGMX-TXEJJXNPSA-N 0 0 245.278 2.072 50 0 BEAARN CN(Cc1ccccc1F)C(=O)c1cccn1C ZINC000013493575 384659832 /nfs/dbraw/zinc/65/98/32/384659832.db2.gz BDICMOPHYLCJBP-UHFFFAOYSA-N 0 0 246.285 2.436 50 0 BEAARN O=C(c1cccc2cc[nH]c21)N1CCCC1 ZINC000082300710 384661928 /nfs/dbraw/zinc/66/19/28/384661928.db2.gz FHIRABLKIAARAL-UHFFFAOYSA-N 0 0 214.268 2.404 50 0 BEAARN Cc1cc2c3c([nH]c2c(C)c1)C(=O)NCC3 ZINC000003161555 384681494 /nfs/dbraw/zinc/68/14/94/384681494.db2.gz HCOFGTFWZYJAAN-UHFFFAOYSA-N 0 0 214.268 2.071 50 0 BEAARN Cc1noc(C)c1CNc1ncccc1F ZINC000080652356 384726281 /nfs/dbraw/zinc/72/62/81/384726281.db2.gz KSKWJZYHFWHOFR-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN CCN(CC)c1ccc(C(=O)N[C@H]2C[C@H]2C)cn1 ZINC000072094593 384726307 /nfs/dbraw/zinc/72/63/07/384726307.db2.gz WBZZJFMIJREPNF-PWSUYJOCSA-N 0 0 247.342 2.066 50 0 BEAARN O=c1nc2sc3[nH]c(=O)sc3cc-2s1 ZINC000004744825 384690539 /nfs/dbraw/zinc/69/05/39/384690539.db2.gz ZMRIBXURFOUTCF-UHFFFAOYSA-O 0 0 243.314 2.248 50 0 BEAARN O=C1COc2ccc(C(F)(F)F)cc21 ZINC000075882288 384693361 /nfs/dbraw/zinc/69/33/61/384693361.db2.gz DFSCMRNXVRDAPI-UHFFFAOYSA-N 0 0 202.131 2.281 50 0 BEAARN FC(F)(F)n1cc(Br)cn1 ZINC000150069380 384696755 /nfs/dbraw/zinc/69/67/55/384696755.db2.gz OPOXCQUYNYTHDA-UHFFFAOYSA-N 0 0 214.972 2.122 50 0 BEAARN Cc1ccc(O[C@H]2CCN(C)C2=O)c(Cl)c1 ZINC000077240775 384703749 /nfs/dbraw/zinc/70/37/49/384703749.db2.gz XWBAMXLGROIFKD-NSHDSACASA-N 0 0 239.702 2.258 50 0 BEAARN C[C@H](O)CCNc1nc2ccccc2s1 ZINC000078727645 384710305 /nfs/dbraw/zinc/71/03/05/384710305.db2.gz CNEJYLJMTQRUQI-QMMMGPOBSA-N 0 0 222.313 2.479 50 0 BEAARN O=C([O-])CCC[NH2+]Cc1cccc(Cl)c1 ZINC000021952218 384710279 /nfs/dbraw/zinc/71/02/79/384710279.db2.gz OHMPAZGQCXHOCI-UHFFFAOYSA-N 0 0 227.691 2.294 50 0 BEAARN CC(=O)NCCCOc1cccc2cccnc21 ZINC000044455442 384718765 /nfs/dbraw/zinc/71/87/65/384718765.db2.gz AEAUQCLRHCYPED-UHFFFAOYSA-N 0 0 244.294 2.140 50 0 BEAARN CC[N@H+](CCC(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000086754508 384775981 /nfs/dbraw/zinc/77/59/81/384775981.db2.gz DHLLPZQINTWUQI-JTQLQIEISA-N 0 0 237.299 2.250 50 0 BEAARN NCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000053278229 384778316 /nfs/dbraw/zinc/77/83/16/384778316.db2.gz DWDFSNARQSUYQN-UHFFFAOYSA-N 0 0 211.264 2.495 50 0 BEAARN CC(C)=CC(=O)NC[C@](C)(O)c1cccs1 ZINC000080879201 384729326 /nfs/dbraw/zinc/72/93/26/384729326.db2.gz CZFMOISROYDUEV-LBPRGKRZSA-N 0 0 239.340 2.038 50 0 BEAARN COC(=O)c1cc2c[nH]c(Cl)cc-2n1 ZINC000052537257 384737305 /nfs/dbraw/zinc/73/73/05/384737305.db2.gz BODVKIYHCWAOBK-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN Cc1occc1C(=O)O[C@H](C)Cn1cccn1 ZINC000083793696 384755594 /nfs/dbraw/zinc/75/55/94/384755594.db2.gz GOILDMRDYZZDLF-SECBINFHSA-N 0 0 234.255 2.030 50 0 BEAARN CCc1ccc(C(=O)O[C@H](C)Cn2cccn2)o1 ZINC000083796745 384756995 /nfs/dbraw/zinc/75/69/95/384756995.db2.gz ADGPKMLBPIKPIM-SNVBAGLBSA-N 0 0 248.282 2.284 50 0 BEAARN C[C@]1(CO)COC(Cc2ccc(Cl)cc2)=N1 ZINC000000495181 384764111 /nfs/dbraw/zinc/76/41/11/384764111.db2.gz NADURUBJGUBRSQ-LBPRGKRZSA-N 0 0 239.702 2.062 50 0 BEAARN CCC[C@H](C(=O)NC[C@@H](C)CO)c1ccccc1 ZINC000084740463 384765944 /nfs/dbraw/zinc/76/59/44/384765944.db2.gz AKHXAOLGUIZODA-OCCSQVGLSA-N 0 0 249.354 2.315 50 0 BEAARN C[C@H]([NH2+]Cc1ccccc1F)[C@H](C)C(=O)[O-] ZINC000086297931 384771496 /nfs/dbraw/zinc/77/14/96/384771496.db2.gz ONLCLSFGQPCXLO-IUCAKERBSA-N 0 0 225.263 2.025 50 0 BEAARN O=C1NCCNc2c3cccc(Cl)c3ncc21 ZINC000053994736 384815392 /nfs/dbraw/zinc/81/53/92/384815392.db2.gz KKUYROCIDGLTLT-UHFFFAOYSA-N 0 0 247.685 2.044 50 0 BEAARN C[C@@H](NC(=O)c1ccccc1F)[C@H]1CCCO1 ZINC000001055482 384817406 /nfs/dbraw/zinc/81/74/06/384817406.db2.gz CHRIBTPEHXVHCO-BXKDBHETSA-N 0 0 237.274 2.123 50 0 BEAARN CCO[C@@H]1C[C@@H](N(C)C(C)=O)C12CCCC2 ZINC000084800822 384831061 /nfs/dbraw/zinc/83/10/61/384831061.db2.gz YBYWZUVNRBPVRD-VXGBXAGGSA-N 0 0 225.332 2.203 50 0 BEAARN O=C(c1cccc2cc[nH]c21)N1CCSCC1 ZINC000088732488 384783450 /nfs/dbraw/zinc/78/34/50/384783450.db2.gz JHEWYYOQYJANSL-UHFFFAOYSA-N 0 0 246.335 2.357 50 0 BEAARN Cc1cc(C)c(C(=O)N[C@H]2CCOC2)c(C)c1 ZINC000089236265 384786091 /nfs/dbraw/zinc/78/60/91/384786091.db2.gz XBOYRQVPGHECEU-LBPRGKRZSA-N 0 0 233.311 2.131 50 0 BEAARN O=C(OCC1CCCCC1)c1cocn1 ZINC000105760662 384786992 /nfs/dbraw/zinc/78/69/92/384786992.db2.gz OJAQOUTZAWJORS-UHFFFAOYSA-N 0 0 209.245 2.412 50 0 BEAARN FC[C@H]1CCCN1Cc1cncs1 ZINC000294149820 384787335 /nfs/dbraw/zinc/78/73/35/384787335.db2.gz VHUQXIIWCULNGE-MRVPVSSYSA-N 0 0 200.282 2.077 50 0 BEAARN CCCCOC(=O)c1nc(C)ncc1Cl ZINC000003130158 384792436 /nfs/dbraw/zinc/79/24/36/384792436.db2.gz RIBUZIXEQWMVRP-UHFFFAOYSA-N 0 0 228.679 2.395 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)CCC(F)(F)F ZINC000084124080 384838235 /nfs/dbraw/zinc/83/82/35/384838235.db2.gz CGMDFRVCPMKQMS-UHFFFAOYSA-N 0 0 235.209 2.308 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1cc(C)oc1C ZINC000190705168 384806116 /nfs/dbraw/zinc/80/61/16/384806116.db2.gz RHSXZYVNOCERRI-SECBINFHSA-N 0 0 226.272 2.478 50 0 BEAARN NCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000053993670 384814483 /nfs/dbraw/zinc/81/44/83/384814483.db2.gz JDUXXGSLDNSUNQ-UHFFFAOYSA-N 0 0 204.056 2.135 50 0 BEAARN Nc1nnc(COc2ccc3ccccc3c2)o1 ZINC000026443181 384873242 /nfs/dbraw/zinc/87/32/42/384873242.db2.gz YGPJWTMEQOEURZ-UHFFFAOYSA-N 0 0 241.250 2.384 50 0 BEAARN COc1c(C)cc([C@H](C(=O)[O-])N2CCC2)cc1C ZINC000055358738 384881565 /nfs/dbraw/zinc/88/15/65/384881565.db2.gz VVKDOELHGJKNCN-GFCCVEGCSA-N 0 0 249.310 2.143 50 0 BEAARN CC(C)(C)[C@@H](O)CCNC(=O)c1cccs1 ZINC000072242736 384854603 /nfs/dbraw/zinc/85/46/03/384854603.db2.gz ACHIINIUGVBCJN-JTQLQIEISA-N 0 0 241.356 2.275 50 0 BEAARN Cc1ccc2oc(=NC3CSC3)[nH]c2c1 ZINC000583651426 384855449 /nfs/dbraw/zinc/85/54/49/384855449.db2.gz MXNUCNMINIXNJY-UHFFFAOYSA-N 0 0 220.297 2.085 50 0 BEAARN Fc1ccc2c(Br)cnn2c1 ZINC000084324715 384860073 /nfs/dbraw/zinc/86/00/73/384860073.db2.gz UZRGAYLDHCBIHZ-UHFFFAOYSA-N 0 0 215.025 2.236 50 0 BEAARN COc1c(Br)cc(F)cc1C=O ZINC000084326813 384860109 /nfs/dbraw/zinc/86/01/09/384860109.db2.gz TXXNMOPCEBWUJN-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN CO[C@@]1(C)C[C@@H](NC(=O)c2cccnc2)C1(C)C ZINC000084668204 384889137 /nfs/dbraw/zinc/88/91/37/384889137.db2.gz QSQZVXJSUUJAJQ-RISCZKNCSA-N 0 0 248.326 2.015 50 0 BEAARN COC(=O)[C@H]1CCCN1Cc1ccccc1C ZINC000055142202 384869841 /nfs/dbraw/zinc/86/98/41/384869841.db2.gz DSXOYFMVIQNJJQ-CYBMUJFWSA-N 0 0 233.311 2.132 50 0 BEAARN COc1cc(Br)cc(OC)c1C=O ZINC000085476826 384950359 /nfs/dbraw/zinc/95/03/59/384950359.db2.gz HNUALSDMDHKUEH-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN Cc1nnc2n1N=C(c1ccccc1)[C@H](C)S2 ZINC000027300542 384895088 /nfs/dbraw/zinc/89/50/88/384895088.db2.gz ILBIEFJNRRKDEL-QMMMGPOBSA-N 0 0 244.323 2.333 50 0 BEAARN Cc1ccc(C(=O)NCC2CC2)cc1C ZINC000032909805 384896111 /nfs/dbraw/zinc/89/61/11/384896111.db2.gz HDWBKKFDQJTALP-UHFFFAOYSA-N 0 0 203.285 2.443 50 0 BEAARN O=C(/C=C\c1ccccc1)NO[C@@H]1CCCCO1 ZINC000096315733 384900763 /nfs/dbraw/zinc/90/07/63/384900763.db2.gz PIAVDHSMEFIWFS-CFYYFVFUSA-N 0 0 247.294 2.274 50 0 BEAARN CNc1snc(C)c1C(=O)N1CCC1(C)C ZINC000095406189 384901518 /nfs/dbraw/zinc/90/15/18/384901518.db2.gz BXNMWJLSEXNRKE-UHFFFAOYSA-N 0 0 239.344 2.118 50 0 BEAARN Cc1nnc(=S)[n-]c1[NH2+]Nc1ccccc1 ZINC000027562809 384901936 /nfs/dbraw/zinc/90/19/36/384901936.db2.gz JZRAFCHJIIJWIO-UHFFFAOYSA-N 0 0 233.300 2.282 50 0 BEAARN Cc1nnc2c(Br)cc(C)cn12 ZINC000084886231 384906224 /nfs/dbraw/zinc/90/62/24/384906224.db2.gz OBXKBZNAXGTEPY-UHFFFAOYSA-N 0 0 226.077 2.109 50 0 BEAARN CCSc1ccc(Cc2nnc(N)o2)cc1 ZINC000056900935 384921674 /nfs/dbraw/zinc/92/16/74/384921674.db2.gz GTBHJYWPUAJADP-UHFFFAOYSA-N 0 0 235.312 2.355 50 0 BEAARN Fc1cc(Br)cc2c1OCO2 ZINC000085367384 384938216 /nfs/dbraw/zinc/93/82/16/384938216.db2.gz JSFYSJIUIPMTEH-UHFFFAOYSA-N 0 0 219.009 2.317 50 0 BEAARN Cc1ccc(F)c(OCC(=O)c2cnn(C)c2)c1 ZINC000096480815 384943871 /nfs/dbraw/zinc/94/38/71/384943871.db2.gz IGGNGXPDUWTMEL-UHFFFAOYSA-N 0 0 248.257 2.129 50 0 BEAARN c1ccc(N2CC[C@H](C3CCOCC3)C2)nc1 ZINC000328586504 384944877 /nfs/dbraw/zinc/94/48/77/384944877.db2.gz SZECECMNOLXONF-ZDUSSCGKSA-N 0 0 232.327 2.335 50 0 BEAARN Cc1oc(-c2ccccc2)nc1Cn1ccnn1 ZINC000128038447 384981951 /nfs/dbraw/zinc/98/19/51/384981951.db2.gz HTUJYMSMMYHRBX-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN COc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000025309972 384982512 /nfs/dbraw/zinc/98/25/12/384982512.db2.gz QOYOPFKIRGRNSM-VXNVDRBHSA-N 0 0 223.247 2.429 50 0 BEAARN COc1ccc(OCCn2ccnc2C)cc1 ZINC000000460747 384989327 /nfs/dbraw/zinc/98/93/27/384989327.db2.gz JFRZZEGWBSSKEN-UHFFFAOYSA-N 0 0 232.283 2.279 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1ccc(C)c(F)c1 ZINC000058280038 384993309 /nfs/dbraw/zinc/99/33/09/384993309.db2.gz VUWPFYZSSCOZDN-SECBINFHSA-N 0 0 240.278 2.291 50 0 BEAARN CC(C)(C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000058289716 384996782 /nfs/dbraw/zinc/99/67/82/384996782.db2.gz NSBXDOVCZFNWLM-CYBMUJFWSA-N 0 0 247.338 2.259 50 0 BEAARN Cc1cc(Cl)ccc1NC(=O)N[C@H](C)CO ZINC000058342198 384998513 /nfs/dbraw/zinc/99/85/13/384998513.db2.gz WRQQVRLYKNFSKJ-MRVPVSSYSA-N 0 0 242.706 2.151 50 0 BEAARN CON(C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000058357963 385000008 /nfs/dbraw/zinc/00/00/08/385000008.db2.gz BVRYWPLJSJQYDR-UHFFFAOYSA-N 0 0 238.674 2.455 50 0 BEAARN C/C=C\COC(=O)c1ccc2c(c1)CCO2 ZINC000098054599 385012686 /nfs/dbraw/zinc/01/26/86/385012686.db2.gz GVCXFRMWOWCBKS-IHWYPQMZSA-N 0 0 218.252 2.354 50 0 BEAARN CCONC(=O)c1nc(Cl)ccc1Cl ZINC000030603826 385023267 /nfs/dbraw/zinc/02/32/67/385023267.db2.gz KZXOAFBVOUHXMS-UHFFFAOYSA-N 0 0 235.070 2.070 50 0 BEAARN Cc1ccc(CNC(=O)C2CCOCC2)c(C)c1 ZINC000058689494 385018154 /nfs/dbraw/zinc/01/81/54/385018154.db2.gz LXBJVIAAEPVWMD-UHFFFAOYSA-N 0 0 247.338 2.346 50 0 BEAARN O=S(=O)(c1ccccc1Cl)N1CCCC1 ZINC000057706504 384961155 /nfs/dbraw/zinc/96/11/55/384961155.db2.gz QCAAKKFZYMDHOT-UHFFFAOYSA-N 0 0 245.731 2.125 50 0 BEAARN CCc1cc(CC)c(S(N)(=O)=O)c(CC)c1 ZINC000059566074 385050799 /nfs/dbraw/zinc/05/07/99/385050799.db2.gz ZSXPCHZVLVJYPC-UHFFFAOYSA-N 0 0 241.356 2.021 50 0 BEAARN FC(F)Oc1ccc(Br)nc1 ZINC000059613264 385051686 /nfs/dbraw/zinc/05/16/86/385051686.db2.gz PYKSHJJKXWPSHM-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN Cc1csc(I)n1 ZINC000059827166 385054949 /nfs/dbraw/zinc/05/49/49/385054949.db2.gz ZXQBECTXVXNCND-UHFFFAOYSA-N 0 0 225.054 2.056 50 0 BEAARN Cc1ccc(CN(C)Cc2nc[nH]n2)c(C)c1 ZINC000179794569 385056306 /nfs/dbraw/zinc/05/63/06/385056306.db2.gz OVAHFZZKESYKTM-UHFFFAOYSA-N 0 0 230.315 2.054 50 0 BEAARN C[C@@H]1C[C@@H]1NC(=O)c1ccc(OCC2CC2)nc1 ZINC000072094944 385057004 /nfs/dbraw/zinc/05/70/04/385057004.db2.gz GPFOJYWBQSDTJK-SKDRFNHKSA-N 0 0 246.310 2.009 50 0 BEAARN S=c1ccc(N2CCCCCC2)n[nH]1 ZINC000000500246 385059479 /nfs/dbraw/zinc/05/94/79/385059479.db2.gz QQQQQHJAIOJHLS-UHFFFAOYSA-N 0 0 209.318 2.146 50 0 BEAARN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc[nH]c1=O ZINC000031384913 385060687 /nfs/dbraw/zinc/06/06/87/385060687.db2.gz NXORIIFNRQVBQN-JQWIXIFHSA-N 0 0 248.326 2.026 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CCC(=O)C[C@H]2C1 ZINC000059979627 385062241 /nfs/dbraw/zinc/06/22/41/385062241.db2.gz KEEXIHAGXWAFOF-UWVGGRQHSA-N 0 0 239.315 2.223 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(F)cc2)on1 ZINC000005403584 385080411 /nfs/dbraw/zinc/08/04/11/385080411.db2.gz MTXVQDCMAYHXCB-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CN(Cc1ccco1)C(=O)NC1CCCC1 ZINC000030980949 385026071 /nfs/dbraw/zinc/02/60/71/385026071.db2.gz NXIKSKIOGDYALU-UHFFFAOYSA-N 0 0 222.288 2.364 50 0 BEAARN Cc1coc2ccc(NC(=O)CN(C)C)cc12 ZINC000188886286 385032404 /nfs/dbraw/zinc/03/24/04/385032404.db2.gz VYXJFJVSUIKLPS-UHFFFAOYSA-N 0 0 232.283 2.241 50 0 BEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)[C@H]2CC=CC[C@@H]12 ZINC000018058283 385037812 /nfs/dbraw/zinc/03/78/12/385037812.db2.gz AWKYKXCWTDDILL-BKUVIOGVSA-N 0 0 216.280 2.303 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2occc21 ZINC000255561259 385039820 /nfs/dbraw/zinc/03/98/20/385039820.db2.gz RCFKXNULFSPASJ-MIMYLULJSA-N 0 0 219.284 2.429 50 0 BEAARN Cn1ccnc1CSc1ccccn1 ZINC000059337793 385045330 /nfs/dbraw/zinc/04/53/30/385045330.db2.gz LJLYBANAYXBDOW-UHFFFAOYSA-N 0 0 205.286 2.107 50 0 BEAARN CCc1ccc(NC(=O)CCn2cccn2)cc1 ZINC000020602907 385141780 /nfs/dbraw/zinc/14/17/80/385141780.db2.gz QTAZZLLXDUTEQL-UHFFFAOYSA-N 0 0 243.310 2.474 50 0 BEAARN CCO[C@@H]1C[C@@H](NC(=O)c2ccncc2)C1(C)C ZINC000096414163 385125940 /nfs/dbraw/zinc/12/59/40/385125940.db2.gz UKWSCCYCUSBBMX-VXGBXAGGSA-N 0 0 248.326 2.015 50 0 BEAARN CSc1ccsc1C(=O)N(C)C ZINC000096404710 385092866 /nfs/dbraw/zinc/09/28/66/385092866.db2.gz FUJBCKCOOMVNOF-UHFFFAOYSA-N 0 0 201.316 2.172 50 0 BEAARN CNc1nnc(SCc2ccccn2)s1 ZINC000034308441 385140929 /nfs/dbraw/zinc/14/09/29/385140929.db2.gz VIVRGVLXKMQUBM-UHFFFAOYSA-N 0 0 238.341 2.267 50 0 BEAARN O=C(CCC(F)(F)F)NC[C@H]1CCCS1 ZINC000096462149 385181934 /nfs/dbraw/zinc/18/19/34/385181934.db2.gz MEKWVGAGNYBWFQ-SSDOTTSWSA-N 0 0 241.278 2.341 50 0 BEAARN O=C(CCC(F)(F)F)NC[C@@H]1CCCS1 ZINC000096462150 385181955 /nfs/dbraw/zinc/18/19/55/385181955.db2.gz MEKWVGAGNYBWFQ-ZETCQYMHSA-N 0 0 241.278 2.341 50 0 BEAARN Cn1nc(N)c2cc(Cl)c(C3CC3)nc21 ZINC000032911362 385189635 /nfs/dbraw/zinc/18/96/35/385189635.db2.gz LKTUAHAMYDSUQR-UHFFFAOYSA-N 0 0 222.679 2.081 50 0 BEAARN COC(=O)c1cn2c3c1cccc3CCC2 ZINC000089219607 385193832 /nfs/dbraw/zinc/19/38/32/385193832.db2.gz UHXYXGAGZRDGPY-UHFFFAOYSA-N 0 0 215.252 2.374 50 0 BEAARN CC(C)c1ccccc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000032999933 385195158 /nfs/dbraw/zinc/19/51/58/385195158.db2.gz MWSQDYGFKHWVBM-LBPRGKRZSA-N 0 0 246.310 2.027 50 0 BEAARN O=C(CCc1ccccc1F)NC1CC1 ZINC000062061594 385155560 /nfs/dbraw/zinc/15/55/60/385155560.db2.gz RGRREKPLXVGWRM-UHFFFAOYSA-N 0 0 207.248 2.037 50 0 BEAARN Cc1cnc(C)nc1NCC1CCSCC1 ZINC000516861506 385161572 /nfs/dbraw/zinc/16/15/72/385161572.db2.gz QVZZZKHLHRZRLX-UHFFFAOYSA-N 0 0 237.372 2.070 50 0 BEAARN C[C@@]1(CO)CCC[C@H]1Nc1cccc(F)n1 ZINC000096427229 385165687 /nfs/dbraw/zinc/16/56/87/385165687.db2.gz RILYTQYABVNSCC-SKDRFNHKSA-N 0 0 224.279 2.184 50 0 BEAARN CCCn1cc(NC(=O)[C@H](C)CSC)cn1 ZINC000096431435 385168371 /nfs/dbraw/zinc/16/83/71/385168371.db2.gz YSNLSBHMAFUIRX-SECBINFHSA-N 0 0 241.360 2.231 50 0 BEAARN CSCCOC(=O)c1ncoc1C(C)C ZINC000096443029 385170004 /nfs/dbraw/zinc/17/00/04/385170004.db2.gz CZSDOPMWMBPXRS-UHFFFAOYSA-N 0 0 229.301 2.318 50 0 BEAARN CO[C@@H](C)CCOC(=O)c1ccnc(Cl)c1 ZINC000096442893 385170832 /nfs/dbraw/zinc/17/08/32/385170832.db2.gz BRVFPDDFZGYVDH-QMMMGPOBSA-N 0 0 243.690 2.317 50 0 BEAARN CO[C@@H](C)CCOC(=O)c1scnc1Cl ZINC000096442901 385171056 /nfs/dbraw/zinc/17/10/56/385171056.db2.gz BAFVHGJHZSXWTM-LURJTMIESA-N 0 0 249.719 2.378 50 0 BEAARN CC(C)(C)CC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000096450826 385172583 /nfs/dbraw/zinc/17/25/83/385172583.db2.gz MNWSFYMSUJVIJD-BXUZGUMPSA-N 0 0 241.375 2.480 50 0 BEAARN CSc1nccc(-c2ccc(CO)cc2)n1 ZINC000032578207 385173716 /nfs/dbraw/zinc/17/37/16/385173716.db2.gz DAJYUFICICONOV-UHFFFAOYSA-N 0 0 232.308 2.358 50 0 BEAARN COC(=O)c1ccc2cc(F)ccc2n1 ZINC000062569258 385174913 /nfs/dbraw/zinc/17/49/13/385174913.db2.gz BFAKRTGHOHSYIL-UHFFFAOYSA-N 0 0 205.188 2.161 50 0 BEAARN CSC[C@H](C)OC(=O)c1cc(C(C)C)[nH]n1 ZINC000096452579 385175361 /nfs/dbraw/zinc/17/53/61/385175361.db2.gz VMHXGRSNFSWUHT-QMMMGPOBSA-N 0 0 242.344 2.441 50 0 BEAARN Cc1occc1C(=O)OCC[C@H]1CCCO1 ZINC000096453103 385175637 /nfs/dbraw/zinc/17/56/37/385175637.db2.gz KDINNICJJCFESV-SNVBAGLBSA-N 0 0 224.256 2.314 50 0 BEAARN O=C(c1ccccc1)N1CC[C@H](OCC2CC2)C1 ZINC000257177280 385206452 /nfs/dbraw/zinc/20/64/52/385206452.db2.gz DPVUFHRVVRRIFH-AWEZNQCLSA-N 0 0 245.322 2.328 50 0 BEAARN FC(F)C(F)(F)I ZINC000063148515 385212338 /nfs/dbraw/zinc/21/23/38/385212338.db2.gz PIFDIGQPGUUCSG-UHFFFAOYSA-N 0 0 227.926 2.279 50 0 BEAARN COCCn1ccnc1-c1cccs1 ZINC000096494605 385234591 /nfs/dbraw/zinc/23/45/91/385234591.db2.gz NAIDWFJYGHPLAN-UHFFFAOYSA-N 0 0 208.286 2.258 50 0 BEAARN CCOc1cccc(CS[C@@H](C)[C@@H](C)O)n1 ZINC000096501858 385236949 /nfs/dbraw/zinc/23/69/49/385236949.db2.gz RTIVVQCNMHZMME-ZJUUUORDSA-N 0 0 241.356 2.483 50 0 BEAARN Clc1ccnc2c(Br)cnn21 ZINC000064033835 385243624 /nfs/dbraw/zinc/24/36/24/385243624.db2.gz LZWBPGVLNBNKSM-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Cc1occc1[S@@](=O)[C@@H](C)c1cnccn1 ZINC000189657064 385249486 /nfs/dbraw/zinc/24/94/86/385249486.db2.gz LUPAJHQDXJBRKD-FVMDXXJSSA-N 0 0 236.296 2.247 50 0 BEAARN O=C1O[C@@H](Nc2nccs2)c2ccccc21 ZINC000000104261 385205402 /nfs/dbraw/zinc/20/54/02/385205402.db2.gz ZQWUKVVSXIBRAJ-SECBINFHSA-N 0 0 232.264 2.424 50 0 BEAARN CC(=O)c1ccn(-c2cccc([C@H](C)O)c2)n1 ZINC000065396160 385303484 /nfs/dbraw/zinc/30/34/84/385303484.db2.gz NRYSBWAAPFKLOH-VIFPVBQESA-N 0 0 230.267 2.128 50 0 BEAARN FC(F)(F)Oc1cccc(Cn2cnnc2)c1 ZINC000065382235 385303719 /nfs/dbraw/zinc/30/37/19/385303719.db2.gz HXVYIHVFTIUWMT-UHFFFAOYSA-N 0 0 243.188 2.225 50 0 BEAARN COc1cc(-c2c[nH]c(C)n2)cc(OC)c1OC ZINC000065399146 385306017 /nfs/dbraw/zinc/30/60/17/385306017.db2.gz RDKZVYFRQFMVOK-UHFFFAOYSA-N 0 0 248.282 2.411 50 0 BEAARN CCCCc1n[nH]c(=O)n1Cc1cccc(C)c1 ZINC000065405433 385306250 /nfs/dbraw/zinc/30/62/50/385306250.db2.gz GPVOHMKEEHITOO-UHFFFAOYSA-N 0 0 245.326 2.271 50 0 BEAARN CN(CCC1CCOCC1)C(=O)c1ccco1 ZINC000065398076 385306293 /nfs/dbraw/zinc/30/62/93/385306293.db2.gz QYOWFBPBOIZPRH-UHFFFAOYSA-N 0 0 237.299 2.168 50 0 BEAARN CC(C)Cc1cc(C(=O)N2CC=CCC2)n(C)n1 ZINC000065434150 385310263 /nfs/dbraw/zinc/31/02/63/385310263.db2.gz SFZVIMWZINFRGC-UHFFFAOYSA-N 0 0 247.342 2.021 50 0 BEAARN CO[C@H](C)c1cccc(-c2cc(N)ncn2)c1 ZINC000065469886 385315079 /nfs/dbraw/zinc/31/50/79/385315079.db2.gz HIHKHWCFVPIULL-SECBINFHSA-N 0 0 229.283 2.433 50 0 BEAARN CN(Cc1ncc[nH]1)Cc1cccnc1Cl ZINC000065494329 385317466 /nfs/dbraw/zinc/31/74/66/385317466.db2.gz YTRPJTAVKUQPMS-UHFFFAOYSA-N 0 0 236.706 2.090 50 0 BEAARN O=C(c1cnsn1)N1CCCc2ccccc21 ZINC000000151273 385265630 /nfs/dbraw/zinc/26/56/30/385265630.db2.gz PLNMASRYPBHPBE-UHFFFAOYSA-N 0 0 245.307 2.131 50 0 BEAARN C[C@H](NS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000013320715 385271357 /nfs/dbraw/zinc/27/13/57/385271357.db2.gz LVDUZNUYEZFSMY-JTQLQIEISA-N 0 0 241.356 2.400 50 0 BEAARN COC(=O)/C=C/c1ccc(O)c(Cl)c1 ZINC000034428216 385282740 /nfs/dbraw/zinc/28/27/40/385282740.db2.gz BZHVHNVZOHIELV-HWKANZROSA-N 0 0 212.632 2.232 50 0 BEAARN Cn1c(C=O)nc2cc(C(F)(F)F)ccc21 ZINC000064874481 385289984 /nfs/dbraw/zinc/28/99/84/385289984.db2.gz MSNVBPGZFMHSDG-UHFFFAOYSA-N 0 0 228.173 2.405 50 0 BEAARN O=C1COc2ccccc2CN1C1CCCC1 ZINC000065184331 385294999 /nfs/dbraw/zinc/29/49/99/385294999.db2.gz UTEPHVFSBREODZ-UHFFFAOYSA-N 0 0 231.295 2.350 50 0 BEAARN C[C@@H](NC(=O)C1CCCC1)c1ccccn1 ZINC000015512735 385299427 /nfs/dbraw/zinc/29/94/27/385299427.db2.gz OKXFONYBTYCVKO-SNVBAGLBSA-N 0 0 218.300 2.449 50 0 BEAARN CC(C)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000065363447 385300404 /nfs/dbraw/zinc/30/04/04/385300404.db2.gz JAKWPDYONNLHQP-UHFFFAOYSA-N 0 0 224.279 2.486 50 0 BEAARN COC[C@@H](C)NC(=O)/C=C\c1cccc(C)c1 ZINC000097987789 385335953 /nfs/dbraw/zinc/33/59/53/385335953.db2.gz MBFQFDNIHYBWHT-QDZRJHCZSA-N 0 0 233.311 2.159 50 0 BEAARN O=C1OCCc2c3cccc4c3n(c21)CCC4 ZINC000000486123 385415428 /nfs/dbraw/zinc/41/54/28/385415428.db2.gz GBVHZJDVIOSLSG-UHFFFAOYSA-N 0 0 227.263 2.300 50 0 biogenic BEAARN FC1(F)CN(c2cnccc2Br)C1 ZINC000169725551 385418831 /nfs/dbraw/zinc/41/88/31/385418831.db2.gz YHWZHFBLBGKASA-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN COC(=O)c1cc(-c2ccccc2)c[nH]1 ZINC000035882120 385448175 /nfs/dbraw/zinc/44/81/75/385448175.db2.gz HTDLNIQLELERCP-UHFFFAOYSA-N 0 0 201.225 2.468 50 0 BEAARN C[C@@H](O)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000189603745 385496365 /nfs/dbraw/zinc/49/63/65/385496365.db2.gz FPBSDXAIMCNRSK-DTWKUNHWSA-N 0 0 249.335 2.459 50 0 BEAARN Cc1ccc(C)c(SCC(=O)N(C)C)c1 ZINC000002664411 385510450 /nfs/dbraw/zinc/51/04/50/385510450.db2.gz JHVMJKLCBVOGOG-UHFFFAOYSA-N 0 0 223.341 2.484 50 0 BEAARN CC(=O)c1ccc(-n2cnc(C)c2)cc1 ZINC000021303731 385513974 /nfs/dbraw/zinc/51/39/74/385513974.db2.gz XVSAOSPGDUFLCH-UHFFFAOYSA-N 0 0 200.241 2.383 50 0 BEAARN CCC1CN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000334757768 385625911 /nfs/dbraw/zinc/62/59/11/385625911.db2.gz VXINYFWPEPBYHR-HTQZYQBOSA-N 0 0 221.222 2.053 50 0 BEAARN Cc1cc(C)nc(NCCc2ncccc2C)n1 ZINC000065488237 385630256 /nfs/dbraw/zinc/63/02/56/385630256.db2.gz GZAYGFMCCOSCSE-UHFFFAOYSA-N 0 0 242.326 2.451 50 0 BEAARN c1cnc(N[C@@H]2CCOc3ccccc32)nc1 ZINC000052076652 385641592 /nfs/dbraw/zinc/64/15/92/385641592.db2.gz IKPJGKJNSRHHTE-LLVKDONJSA-N 0 0 227.267 2.412 50 0 BEAARN CC(C)CCCS(=O)(=O)Cc1ccon1 ZINC000182441121 385672293 /nfs/dbraw/zinc/67/22/93/385672293.db2.gz NXNIGEFGFJOHIN-UHFFFAOYSA-N 0 0 231.317 2.026 50 0 BEAARN CSc1cccc(F)c1C(=O)N1CCC1 ZINC000281538366 385679680 /nfs/dbraw/zinc/67/96/80/385679680.db2.gz NDUNSWCCPDNIBU-UHFFFAOYSA-N 0 0 225.288 2.394 50 0 BEAARN C[C@H](NC(=O)CC1=CCCCC1)c1cn[nH]c1 ZINC000229960260 385692786 /nfs/dbraw/zinc/69/27/86/385692786.db2.gz MDEYMFHDXHFTQH-JTQLQIEISA-N 0 0 233.315 2.477 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cs1 ZINC000001055872 385728793 /nfs/dbraw/zinc/72/87/93/385728793.db2.gz ZKNSBSDCIZSLCO-KOLCDFICSA-N 0 0 239.340 2.354 50 0 BEAARN C[C@H](NC(=O)c1ccco1)c1ccncc1 ZINC000001055531 385729036 /nfs/dbraw/zinc/72/90/36/385729036.db2.gz ASPILYMITHNICN-VIFPVBQESA-N 0 0 216.240 2.166 50 0 BEAARN C[C@@]1(CNc2cnc3ccccc3n2)CCOC1 ZINC000079089944 385766385 /nfs/dbraw/zinc/76/63/85/385766385.db2.gz VNKNLUASCIMKIV-AWEZNQCLSA-N 0 0 243.310 2.468 50 0 BEAARN Cc1nnc(CN(C)[C@H](C)c2ccccn2)s1 ZINC000271508033 385834596 /nfs/dbraw/zinc/83/45/96/385834596.db2.gz FBHLSLHVRDKXJX-SECBINFHSA-N 0 0 248.355 2.435 50 0 BEAARN CC(C)c1cc(CN(C)Cc2cncn2C)on1 ZINC000215093647 385836652 /nfs/dbraw/zinc/83/66/52/385836652.db2.gz CMLZVNVFEOQWOL-UHFFFAOYSA-N 0 0 248.330 2.164 50 0 BEAARN Cc1cc(COC(=O)c2ccc(C)cc2O)no1 ZINC000007831807 385913914 /nfs/dbraw/zinc/91/39/14/385913914.db2.gz HVMWWIIUVGFBMG-UHFFFAOYSA-N 0 0 247.250 2.354 50 0 BEAARN Nc1cccnc1OCCOCc1ccccc1 ZINC000216706691 385871489 /nfs/dbraw/zinc/87/14/89/385871489.db2.gz AAAGJUOZFOOKQM-UHFFFAOYSA-N 0 0 244.294 2.259 50 0 BEAARN Cc1cc(Br)cc2c(N)nn(C)c21 ZINC000217046756 385876303 /nfs/dbraw/zinc/87/63/03/385876303.db2.gz PKSJBVLMXDSHOQ-UHFFFAOYSA-N 0 0 240.104 2.226 50 0 BEAARN Cc1ccc(C)c(CN2CCOCC2)c1 ZINC000023282025 385981694 /nfs/dbraw/zinc/98/16/94/385981694.db2.gz KVNDJNNBCGBVBR-UHFFFAOYSA-N 0 0 205.301 2.136 50 0 BEAARN O=C(CCC(F)(F)F)N1CCC=C(F)C1 ZINC000273058958 385963547 /nfs/dbraw/zinc/96/35/47/385963547.db2.gz IUVZEZPYJURTRB-UHFFFAOYSA-N 0 0 225.185 2.415 50 0 BEAARN Cc1nc(-c2ccccc2)[nH]c(=O)c1C ZINC000012653800 385998816 /nfs/dbraw/zinc/99/88/16/385998816.db2.gz JZKBFYMLSCHWIN-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN CSCCC(=O)Nc1nc2ccccc2[nH]1 ZINC000012546588 386014490 /nfs/dbraw/zinc/01/44/90/386014490.db2.gz UTRDDGGBNAYMEB-UHFFFAOYSA-N 0 0 235.312 2.255 50 0 BEAARN Cc1cccc(N2CCC(c3cc[nH]n3)CC2)n1 ZINC000157330114 386053925 /nfs/dbraw/zinc/05/39/25/386053925.db2.gz ACUYIADJCJXFAM-UHFFFAOYSA-N 0 0 242.326 2.497 50 0 BEAARN Cc1cc(C)c(CNc2cn(C)nn2)cc1C ZINC000335157242 386153541 /nfs/dbraw/zinc/15/35/41/386153541.db2.gz ZGMLJXPILHDWNN-UHFFFAOYSA-N 0 0 230.315 2.352 50 0 BEAARN Cc1[nH]nc2c1[C@H](c1cccs1)CC(=O)N2 ZINC000046016725 386162935 /nfs/dbraw/zinc/16/29/35/386162935.db2.gz XFIZQBBMUZMEIP-ZETCQYMHSA-N 0 0 233.296 2.254 50 0 BEAARN FC(F)(F)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000334467505 386139544 /nfs/dbraw/zinc/13/95/44/386139544.db2.gz FBFATWHBILVILD-SSDOTTSWSA-N 0 0 219.210 2.109 50 0 BEAARN COC(=O)[C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000225559445 386202105 /nfs/dbraw/zinc/20/21/05/386202105.db2.gz VWPJQLPZFIYXCG-ZETCQYMHSA-N 0 0 249.093 2.242 50 0 BEAARN Cc1cc(CN(C)CCOc2ccccc2)on1 ZINC000040468620 386202747 /nfs/dbraw/zinc/20/27/47/386202747.db2.gz UDSKMTRYYAUVKU-UHFFFAOYSA-N 0 0 246.310 2.494 50 0 BEAARN C/C(=C/C(=O)OCCCc1nccn1C)C1CC1 ZINC000225689132 386213583 /nfs/dbraw/zinc/21/35/83/386213583.db2.gz IYKVKXLYPDUQQB-KHPPLWFESA-N 0 0 248.326 2.252 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccccn1 ZINC000046041264 386240239 /nfs/dbraw/zinc/24/02/39/386240239.db2.gz GHOIRBMLPJPXRA-UXBLZVDNSA-N 0 0 204.273 2.054 50 0 BEAARN CN(Cc1ccncc1)C(=O)C[C@H]1C=CCC1 ZINC000046044978 386246046 /nfs/dbraw/zinc/24/60/46/386246046.db2.gz ZFCDCQOUSCEXNB-LBPRGKRZSA-N 0 0 230.311 2.396 50 0 BEAARN Cc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1 ZINC000003388120 386257013 /nfs/dbraw/zinc/25/70/13/386257013.db2.gz XYUJWPIYCUFCTG-UHFFFAOYSA-N 0 0 249.310 2.067 50 0 BEAARN CCOc1cccc(NC(=O)c2cccnc2)n1 ZINC000225438751 386193665 /nfs/dbraw/zinc/19/36/65/386193665.db2.gz QGTZVDHLVKCMEZ-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN CCONC(=O)[C@H](CC)c1ccccc1 ZINC000044896885 386281883 /nfs/dbraw/zinc/28/18/83/386281883.db2.gz UBHPYGXIWXDHOK-LLVKDONJSA-N 0 0 207.273 2.248 50 0 BEAARN Cc1ccc(OC/C=C/CN2CCOCC2)cc1 ZINC000016624214 386302204 /nfs/dbraw/zinc/30/22/04/386302204.db2.gz SZIOEOPBQOAZGN-NSCUHMNNSA-N 0 0 247.338 2.262 50 0 BEAARN COC[C@@H](C)OC(=O)c1ccc(C)s1 ZINC000073836498 386349022 /nfs/dbraw/zinc/34/90/22/386349022.db2.gz RJTFYGOXCIADQL-SSDOTTSWSA-N 0 0 214.286 2.248 50 0 BEAARN O=C([O-])CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000238082235 386439245 /nfs/dbraw/zinc/43/92/45/386439245.db2.gz ARKTXFLOMOMHDH-UHFFFAOYSA-N 0 0 249.310 2.079 50 0 BEAARN CCc1ccc([C@](C)(O)c2ncc[nH]2)cc1 ZINC000328579374 386528702 /nfs/dbraw/zinc/52/87/02/386528702.db2.gz DBBDXXRQJJEYMT-ZDUSSCGKSA-N 0 0 216.284 2.228 50 0 BEAARN CCc1ccc([C@@](C)(O)c2ncc[nH]2)cc1 ZINC000328579373 386528756 /nfs/dbraw/zinc/52/87/56/386528756.db2.gz DBBDXXRQJJEYMT-CYBMUJFWSA-N 0 0 216.284 2.228 50 0 BEAARN CN(Cc1cc(C2CC2)on1)C(=O)C1CC=CC1 ZINC000299776856 386490056 /nfs/dbraw/zinc/49/00/56/386490056.db2.gz HPQBXJJZXGYASU-UHFFFAOYSA-N 0 0 246.310 2.477 50 0 BEAARN O=C1N[C@@H](c2ccccc2)C12CCCC2 ZINC000299805321 386491062 /nfs/dbraw/zinc/49/10/62/386491062.db2.gz IYKGEDZPDLIKKC-NSHDSACASA-N 0 0 201.269 2.418 50 0 BEAARN c1cncc(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000299498785 386458612 /nfs/dbraw/zinc/45/86/12/386458612.db2.gz FROCHSJPEKNJHY-KGLIPLIRSA-N 0 0 232.327 2.225 50 0 BEAARN Fc1cc(Cl)cnc1NCc1cc[nH]n1 ZINC000086710460 386459160 /nfs/dbraw/zinc/45/91/60/386459160.db2.gz AZFLDVXHPHRSJG-UHFFFAOYSA-N 0 0 226.642 2.209 50 0 BEAARN Cc1ccc(CN(C)Cc2snnc2C)o1 ZINC000244584348 386584898 /nfs/dbraw/zinc/58/48/98/386584898.db2.gz CXPFWHXPEQCUTP-UHFFFAOYSA-N 0 0 237.328 2.380 50 0 BEAARN Cc1cc(C(=O)N2CC(CC(F)F)C2)ns1 ZINC000335505109 386637351 /nfs/dbraw/zinc/63/73/51/386637351.db2.gz YPKBCQIFJRUYNX-UHFFFAOYSA-N 0 0 246.282 2.179 50 0 BEAARN CC(=O)CCc1ccc(CCC(C)=O)[nH]1 ZINC000002519005 386644442 /nfs/dbraw/zinc/64/44/42/386644442.db2.gz PGNIGPBGFASMIA-UHFFFAOYSA-N 0 0 207.273 2.058 50 0 BEAARN O=C(CC1CC(F)(F)C1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000335512636 386647591 /nfs/dbraw/zinc/64/75/91/386647591.db2.gz KRAWVFXOJQWRAK-ILWJIGKKSA-N 0 0 229.270 2.337 50 0 BEAARN COc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000222285512 386651659 /nfs/dbraw/zinc/65/16/59/386651659.db2.gz DQBAPZBZLWCYDQ-UHFFFAOYSA-N 0 0 241.718 2.181 50 0 BEAARN Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cn1 ZINC000049044152 386665204 /nfs/dbraw/zinc/66/52/04/386665204.db2.gz PCDNVIYXESRIQF-UHFFFAOYSA-N 0 0 244.298 2.489 50 0 BEAARN CC(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000049497060 386689263 /nfs/dbraw/zinc/68/92/63/386689263.db2.gz PZAOWSTYIPPHFZ-UHFFFAOYSA-N 0 0 223.663 2.185 50 0 BEAARN CSCCC(=O)N1CCc2ccccc2C1 ZINC000012911841 386690422 /nfs/dbraw/zinc/69/04/22/386690422.db2.gz RQGVPRRKWNKSAI-UHFFFAOYSA-N 0 0 235.352 2.324 50 0 BEAARN CC(C)[C@@H](NC(=O)[C@H]1CCCO1)c1ccccn1 ZINC000078826830 386695027 /nfs/dbraw/zinc/69/50/27/386695027.db2.gz QYFRITYSPBBUFK-CHWSQXEVSA-N 0 0 248.326 2.074 50 0 BEAARN C(=C/c1ccnc2ncnn21)\c1ccccc1 ZINC000004073152 386738617 /nfs/dbraw/zinc/73/86/17/386738617.db2.gz JYHWQJLJYLZPIC-VOTSOKGWSA-N 0 0 222.251 2.295 50 0 BEAARN CC(C)(C)[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000046801568 386716315 /nfs/dbraw/zinc/71/63/15/386716315.db2.gz NPEKXVTWBDQQLV-NXEZZACHSA-N 0 0 233.377 2.141 50 0 BEAARN C[C@H](C(=O)NCCn1cccc1)c1cccs1 ZINC000075093080 386747603 /nfs/dbraw/zinc/74/76/03/386747603.db2.gz XTOGTLWIMWDOAO-NSHDSACASA-N 0 0 248.351 2.470 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccc(C)n1C ZINC000079042767 386750830 /nfs/dbraw/zinc/75/08/30/386750830.db2.gz DGJUTURKLSDXPX-POHAHGRESA-N 0 0 220.316 2.306 50 0 BEAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000049548706 386773219 /nfs/dbraw/zinc/77/32/19/386773219.db2.gz XDBWFEXDSGMXPY-SNVBAGLBSA-N 0 0 243.266 2.249 50 0 BEAARN Cc1c(Cl)cccc1NC(=O)Cn1cccn1 ZINC000012950059 386783664 /nfs/dbraw/zinc/78/36/64/386783664.db2.gz IZOASNCLGZJLNR-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN CC(C)(F)c1nc(Cc2cncs2)no1 ZINC000280178998 386786776 /nfs/dbraw/zinc/78/67/76/386786776.db2.gz ABHCXHQMWUYANM-UHFFFAOYSA-N 0 0 227.264 2.322 50 0 BEAARN CCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000032492054 386892684 /nfs/dbraw/zinc/89/26/84/386892684.db2.gz MKLLTQNZRQYEOV-UHFFFAOYSA-N 0 0 229.283 2.084 50 0 BEAARN CCNC(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000075128076 386962723 /nfs/dbraw/zinc/96/27/23/386962723.db2.gz BTMVOWVZBFEJEL-JTQLQIEISA-N 0 0 218.300 2.415 50 0 BEAARN Cc1ccc(OC[C@@H]2CCCOC2)nc1 ZINC000334914016 386987954 /nfs/dbraw/zinc/98/79/54/386987954.db2.gz ABYSQUBYNSSYGV-LLVKDONJSA-N 0 0 207.273 2.195 50 0 BEAARN CCCCNC(=O)c1ccc2nnsc2c1 ZINC000011692749 386991075 /nfs/dbraw/zinc/99/10/75/386991075.db2.gz OXVMOZSUYVQIDK-UHFFFAOYSA-N 0 0 235.312 2.221 50 0 BEAARN COc1ncccc1NC(=O)C[C@@H]1C=CCC1 ZINC000047554095 386993876 /nfs/dbraw/zinc/99/38/76/386993876.db2.gz SCHDUQCXDQJRFQ-SNVBAGLBSA-N 0 0 232.283 2.385 50 0 BEAARN C[C@H](NC(=O)CO)c1cc(Cl)ccc1Cl ZINC000186561256 387003218 /nfs/dbraw/zinc/00/32/18/387003218.db2.gz PRQNLHZJALXFSA-LURJTMIESA-N 0 0 248.109 2.163 50 0 BEAARN Cc1ccc(OCCCC(=O)N(C)C)cc1 ZINC000047651792 387031143 /nfs/dbraw/zinc/03/11/43/387031143.db2.gz RBPQZGIXJYSZLJ-UHFFFAOYSA-N 0 0 221.300 2.242 50 0 BEAARN CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251565892 387041623 /nfs/dbraw/zinc/04/16/23/387041623.db2.gz BRZIDNQMHUVUAM-CHWSQXEVSA-N 0 0 233.311 2.229 50 0 BEAARN Cc1ccsc1[C@@H](O)CNC(=O)C1CCC1 ZINC000075155193 387059315 /nfs/dbraw/zinc/05/93/15/387059315.db2.gz TYGWNJTYSATFNT-JTQLQIEISA-N 0 0 239.340 2.006 50 0 BEAARN Cc1cccnc1NC(=O)[C@]1(C)CC1(F)F ZINC000334995629 387085792 /nfs/dbraw/zinc/08/57/92/387085792.db2.gz RDZYQCFBQPGGMQ-JTQLQIEISA-N 0 0 226.226 2.374 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1 ZINC000032981938 387145276 /nfs/dbraw/zinc/14/52/76/387145276.db2.gz LCAGTUYVRBIWJP-PWSUYJOCSA-N 0 0 203.285 2.267 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCc2ccccc21 ZINC000032999931 387167869 /nfs/dbraw/zinc/16/78/69/387167869.db2.gz VRHKNDXADWWYPA-MWLCHTKSSA-N 0 0 201.269 2.232 50 0 BEAARN O=C(CC1(O)CCCCC1)N1CCCCC1 ZINC000089818196 387187073 /nfs/dbraw/zinc/18/70/73/387187073.db2.gz NCOXUDXYANTFKX-UHFFFAOYSA-N 0 0 225.332 2.084 50 0 BEAARN CC(C)c1noc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000089893649 387189319 /nfs/dbraw/zinc/18/93/19/387189319.db2.gz IRMPPCMVYNSYQA-UWVGGRQHSA-N 0 0 221.304 2.429 50 0 BEAARN CC(=O)c1c(O)c(C)nc2ccccc21 ZINC000091356000 387207540 /nfs/dbraw/zinc/20/75/40/387207540.db2.gz NCOLGCZLACTJPT-UHFFFAOYSA-N 0 0 201.225 2.451 50 0 BEAARN O=CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000400482 387221009 /nfs/dbraw/zinc/22/10/09/387221009.db2.gz XRLXCJIBDLXKQF-UHFFFAOYSA-N 0 0 233.054 2.271 50 0 BEAARN CCO[C@@H](O)[C@H](CC)C(=O)Nc1ccccc1 ZINC000004800908 387233532 /nfs/dbraw/zinc/23/35/32/387233532.db2.gz YSOXMMNGBGRDGE-DGCLKSJQSA-N 0 0 237.299 2.006 50 0 BEAARN Cc1nc(C)c(-c2ccccc2)c(=O)[nH]1 ZINC000008582753 387250934 /nfs/dbraw/zinc/25/09/34/387250934.db2.gz PCZTWXRAMVQJJY-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN CCCCNC(=S)Nc1ccccn1 ZINC000008625710 387251166 /nfs/dbraw/zinc/25/11/66/387251166.db2.gz LXYIUAPDEIGKQI-UHFFFAOYSA-N 0 0 209.318 2.168 50 0 BEAARN CC(C)(C)OC(=O)[C@H](O)c1ccccc1 ZINC000068813143 387265495 /nfs/dbraw/zinc/26/54/95/387265495.db2.gz HFQCAIQTDNARDZ-SNVBAGLBSA-N 0 0 208.257 2.062 50 0 BEAARN CC1(C)CCCC2=C1C[C@H]1C(=O)NC(=O)[C@@H]1C2 ZINC000100396590 387268128 /nfs/dbraw/zinc/26/81/28/387268128.db2.gz FCJRBRDWOJFBPA-NXEZZACHSA-N 0 0 233.311 2.176 50 0 biogenic BEAARN O=C1C[C@@H]2C=C[C@@H]3C[C@H](O[C@@H]4CCCCO4)[C@H]1[C@H]23 ZINC000071786023 387288936 /nfs/dbraw/zinc/28/89/36/387288936.db2.gz KYAFNZNPNMKDLZ-UBRACPCVSA-N 0 0 248.322 2.309 50 0 BEAARN CC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000089336446 387292916 /nfs/dbraw/zinc/29/29/16/387292916.db2.gz ZIVSWQWCHSQXEC-CHWSQXEVSA-N 0 0 227.348 2.496 50 0 BEAARN CC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C ZINC000089336445 387293236 /nfs/dbraw/zinc/29/32/36/387293236.db2.gz ZIVSWQWCHSQXEC-STQMWFEESA-N 0 0 227.348 2.496 50 0 BEAARN Cc1cc(C(=O)N[C@H]2CCCc3occc32)[nH]n1 ZINC000089568626 387354234 /nfs/dbraw/zinc/35/42/34/387354234.db2.gz LGHLVJKBQXNNCK-JTQLQIEISA-N 0 0 245.282 2.119 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@H]2C(C)C)no1 ZINC000063832811 387328928 /nfs/dbraw/zinc/32/89/28/387328928.db2.gz HJPQRCRRMBMPCX-NSHDSACASA-N 0 0 222.288 2.244 50 0 BEAARN FC(F)c1ncc(Br)cn1 ZINC000259442990 387337199 /nfs/dbraw/zinc/33/71/99/387337199.db2.gz KFIKPTGPDSAJKD-UHFFFAOYSA-N 0 0 208.993 2.177 50 0 BEAARN O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5C=C[C@H]6[C@H]1[C@@H]2[C@@H]([C@@H]43)[C@H]56 ZINC000257358319 387337247 /nfs/dbraw/zinc/33/72/47/387337247.db2.gz STFQHVWFCWXQGP-WNBVUKQFSA-N 0 0 228.335 2.317 50 0 BEAARN CC(=O)N=c1sccn1Cc1ccccc1 ZINC000263594222 387337725 /nfs/dbraw/zinc/33/77/25/387337725.db2.gz CEQJBLMZIODOCP-UHFFFAOYSA-N 0 0 232.308 2.045 50 0 BEAARN Cc1cnn(C)c1CNc1ccccc1F ZINC000286748553 387340034 /nfs/dbraw/zinc/34/00/34/387340034.db2.gz YPVFDNSHYMMAIH-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN Cc1nc(CNC(=O)N[C@@H]2C=CCCC2)oc1C ZINC000089558487 387344183 /nfs/dbraw/zinc/34/41/83/387344183.db2.gz YFKZZZISQOXECU-LLVKDONJSA-N 0 0 249.314 2.199 50 0 BEAARN CCCCC[S@@](=O)C1CCOCC1 ZINC000191199455 387353894 /nfs/dbraw/zinc/35/38/94/387353894.db2.gz RVLHPPKFGNZGLQ-CYBMUJFWSA-N 0 0 204.335 2.104 50 0 BEAARN COC(=O)c1sc(-c2ccncc2)cc1N ZINC000034975228 387437601 /nfs/dbraw/zinc/43/76/01/387437601.db2.gz MTWPBJBUARILTH-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN CONC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053720887 387448498 /nfs/dbraw/zinc/44/84/98/387448498.db2.gz UXQZWUSTBKOIGL-PSASIEDQSA-N 0 0 223.272 2.013 50 0 BEAARN CC(=O)c1sc(NC2CCOCC2)nc1C ZINC000077410551 387450755 /nfs/dbraw/zinc/45/07/55/387450755.db2.gz SBBONZYVQQMANL-UHFFFAOYSA-N 0 0 240.328 2.245 50 0 BEAARN O=C1c2ccccc2O[C@@H](c2ccccc2)[C@@H]1O ZINC000001480995 387456206 /nfs/dbraw/zinc/45/62/06/387456206.db2.gz YEDFEBOUHSBQBT-CABCVRRESA-N 0 0 240.258 2.364 50 0 in-vitro BEAARN Cn1ccc([C@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000575606183 387392612 /nfs/dbraw/zinc/39/26/12/387392612.db2.gz DDJUCMHUUISJPX-VIFPVBQESA-N 0 0 247.264 2.162 50 0 BEAARN CNc1nccc(OCc2ccccc2)n1 ZINC000040449140 387416557 /nfs/dbraw/zinc/41/65/57/387416557.db2.gz PPFRAYUPDAVQMT-UHFFFAOYSA-N 0 0 215.256 2.097 50 0 BEAARN Cc1nc(C(=O)NCCCn2cccc2)cs1 ZINC000049028434 387420864 /nfs/dbraw/zinc/42/08/64/387420864.db2.gz MPTCQARCIJLZNJ-UHFFFAOYSA-N 0 0 249.339 2.073 50 0 BEAARN O=c1ccc(-c2noc(C3CCCCC3)n2)c[nH]1 ZINC000075505258 387506546 /nfs/dbraw/zinc/50/65/46/387506546.db2.gz KWUMYBVYBBVZCN-UHFFFAOYSA-N 0 0 245.282 2.473 50 0 BEAARN C[C@@H](NC(=O)NC1CCCCC1)[C@H]1CCCO1 ZINC000016972444 387519021 /nfs/dbraw/zinc/51/90/21/387519021.db2.gz JBKLNOYKBRTWAA-ZYHUDNBSSA-N 0 0 240.347 2.186 50 0 BEAARN O=C(Nc1cnc2c(c1)CCC2)c1cccnc1 ZINC000575316747 387536005 /nfs/dbraw/zinc/53/60/05/387536005.db2.gz YZFCIENNUMUZLA-UHFFFAOYSA-N 0 0 239.278 2.218 50 0 BEAARN CCc1c(C(=O)N(C)C)cnn1-c1ccccc1 ZINC000032779933 387472926 /nfs/dbraw/zinc/47/29/26/387472926.db2.gz CYXWDIQEAAYRJT-UHFFFAOYSA-N 0 0 243.310 2.137 50 0 BEAARN Cc1cc2c(c(=O)n1C)[C@H](CC(C)C)CC(=O)O2 ZINC000524730241 387490693 /nfs/dbraw/zinc/49/06/93/387490693.db2.gz AVLMRYOKSPUBSC-SNVBAGLBSA-N 0 0 249.310 2.133 50 0 biogenic BEAARN CC(=O)c1ccc(C(=O)NC(C)C)c(F)c1 ZINC000335770744 387492202 /nfs/dbraw/zinc/49/22/02/387492202.db2.gz PPHDIHIPXZPFSV-UHFFFAOYSA-N 0 0 223.247 2.167 50 0 BEAARN COc1cc(C)cc(OC)c1-c1nc(C)n(C)n1 ZINC000426594866 387580913 /nfs/dbraw/zinc/58/09/13/387580913.db2.gz MORNFWCGPCDRIG-UHFFFAOYSA-N 0 0 247.298 2.116 50 0 BEAARN CCNc1ccnc(-c2cccc(N(C)C)c2)n1 ZINC000426544373 387581360 /nfs/dbraw/zinc/58/13/60/387581360.db2.gz KFGXSRAGBPSAAP-UHFFFAOYSA-N 0 0 242.326 2.063 50 0 BEAARN CCc1nc(-c2cnn(CCC(C)C)c2)n(C)n1 ZINC000426544491 387581534 /nfs/dbraw/zinc/58/15/34/387581534.db2.gz SVSVBJKDUNTALQ-UHFFFAOYSA-N 0 0 247.346 2.287 50 0 BEAARN CCOc1ccc(-c2cccnc2OCC)nn1 ZINC000426633878 387582555 /nfs/dbraw/zinc/58/25/55/387582555.db2.gz LAFKQGFMINSIQX-UHFFFAOYSA-N 0 0 245.282 2.336 50 0 BEAARN COc1ccc(-c2ncnc(C)c2C)c(OC)n1 ZINC000426707215 387586682 /nfs/dbraw/zinc/58/66/82/387586682.db2.gz MWMVJPSQLAGBMW-UHFFFAOYSA-N 0 0 245.282 2.173 50 0 BEAARN COc1n[nH]c(-c2cnc3c(C)cccc3c2)n1 ZINC000426683807 387586772 /nfs/dbraw/zinc/58/67/72/387586772.db2.gz LWWOVYCJEMSCPW-UHFFFAOYSA-N 0 0 240.266 2.337 50 0 BEAARN COCc1nnc(-c2c(C)cc(OC)cc2C)[nH]1 ZINC000426359995 387559818 /nfs/dbraw/zinc/55/98/18/387559818.db2.gz AGGZTUPWSIFAIK-UHFFFAOYSA-N 0 0 247.298 2.244 50 0 BEAARN CCC/C=C/c1ccc(CS(C)(=O)=O)cn1 ZINC000426394482 387563537 /nfs/dbraw/zinc/56/35/37/387563537.db2.gz DUWPXBFKPKVPKS-AATRIKPKSA-N 0 0 239.340 2.440 50 0 BEAARN Cc1c2cc(-c3cncnc3)ccc2[nH]c1CO ZINC000426378236 387563616 /nfs/dbraw/zinc/56/36/16/387563616.db2.gz SFKVYKNBRBUJDZ-UHFFFAOYSA-N 0 0 239.278 2.426 50 0 BEAARN Cc1cnc(-n2cnnc2)c(-c2cccnc2)c1 ZINC000426401836 387565684 /nfs/dbraw/zinc/56/56/84/387565684.db2.gz KYPDIAUBRFIZCI-UHFFFAOYSA-N 0 0 237.266 2.033 50 0 BEAARN COc1ccc(-c2nc(C)n(C)n2)cc1Cl ZINC000426410779 387566455 /nfs/dbraw/zinc/56/64/55/387566455.db2.gz YKCAHQDKSVEVJQ-UHFFFAOYSA-N 0 0 237.690 2.453 50 0 BEAARN CC(C)Cc1ccc([C@@H](C)C(=O)NCCO)cc1 ZINC000001999468 387570091 /nfs/dbraw/zinc/57/00/91/387570091.db2.gz JVGUNCHERKJFCM-GFCCVEGCSA-N 0 0 249.354 2.097 50 0 in-man BEAARN Cc1nnc(NC(=O)c2ccoc2C)s1 ZINC000006254755 387689444 /nfs/dbraw/zinc/68/94/44/387689444.db2.gz GABONGPYGNHKKR-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN Cc1cc(C)cc(N2C(=S)N=NC2C)c1 ZINC000006399888 177890035 /nfs/dbraw/zinc/89/00/35/177890035.db2.gz ANEISPAEUNWMOK-UHFFFAOYSA-N 0 0 219.313 2.481 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)o1 ZINC000048333409 387779793 /nfs/dbraw/zinc/77/97/93/387779793.db2.gz LLQZHLAGUJOFJQ-JTQLQIEISA-N 0 0 230.267 2.474 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)c2cccnc2)o1 ZINC000048333410 387780005 /nfs/dbraw/zinc/78/00/05/387780005.db2.gz LLQZHLAGUJOFJQ-SNVBAGLBSA-N 0 0 230.267 2.474 50 0 BEAARN CCOP(=O)(OCC)[C@@H](O)c1cccnc1 ZINC000001786978 387783945 /nfs/dbraw/zinc/78/39/45/387783945.db2.gz MZSVJEVPARITDB-SNVBAGLBSA-N 0 0 245.215 2.339 50 0 BEAARN CCONC(=O)c1cc(C)nc2cc(F)ccc21 ZINC000036392909 387786811 /nfs/dbraw/zinc/78/68/11/387786811.db2.gz LSMQRYMACCBXPD-UHFFFAOYSA-N 0 0 248.257 2.364 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)Cc2ccco2)cn1 ZINC000036397206 387796568 /nfs/dbraw/zinc/79/65/68/387796568.db2.gz DWXIXFLDPYVDTF-LLVKDONJSA-N 0 0 244.294 2.344 50 0 BEAARN O=C(NCc1cncc(C2CC2)c1)c1ccoc1 ZINC000575620466 387802322 /nfs/dbraw/zinc/80/23/22/387802322.db2.gz SZZWYGWUPGNITD-UHFFFAOYSA-N 0 0 242.278 2.482 50 0 BEAARN Cc1n[nH]c(C)c1CNC(=O)c1ccc(C)cc1 ZINC000041528835 387824915 /nfs/dbraw/zinc/82/49/15/387824915.db2.gz CQGINLNMDXMWPX-UHFFFAOYSA-N 0 0 243.310 2.265 50 0 BEAARN Cc1ccc(NC(=O)C(=O)c2ccc[nH]2)cc1C ZINC000065083664 387834760 /nfs/dbraw/zinc/83/47/60/387834760.db2.gz YDHHOBILSHZDOH-UHFFFAOYSA-N 0 0 242.278 2.453 50 0 BEAARN O=C1N[C@H](c2cccc(O)c2)Nc2ccccc21 ZINC000009609862 387835844 /nfs/dbraw/zinc/83/58/44/387835844.db2.gz ICEUSXUWDXWTRZ-CYBMUJFWSA-N 0 0 240.262 2.246 50 0 BEAARN Cc1cc(C)c2c(c1)occ(C=O)c2=O ZINC000000162848 177877924 /nfs/dbraw/zinc/87/79/24/177877924.db2.gz MVKCOCQJKGTQAM-UHFFFAOYSA-N 0 0 202.209 2.222 50 0 BEAARN COC[C@@H](C)NC(=O)c1ccc(Cl)s1 ZINC000040459927 387892193 /nfs/dbraw/zinc/89/21/93/387892193.db2.gz VHCVWWRXOVSWHO-ZCFIWIBFSA-N 0 0 233.720 2.166 50 0 BEAARN Cc1cc(C)n(-c2ccnc(NCC(C)C)n2)n1 ZINC000065240333 387897541 /nfs/dbraw/zinc/89/75/41/387897541.db2.gz LKJNIRPRQSINPZ-UHFFFAOYSA-N 0 0 245.330 2.347 50 0 BEAARN Cc1nc(CSc2ccc(Cl)nn2)no1 ZINC000069892384 387918115 /nfs/dbraw/zinc/91/81/15/387918115.db2.gz YNQPSMHHXGFRHE-UHFFFAOYSA-N 0 0 242.691 2.114 50 0 BEAARN Cn1nccc1-c1ccc2c(c1)OCCC[C@H]2O ZINC000521396565 387919367 /nfs/dbraw/zinc/91/93/67/387919367.db2.gz NRRYWKBSONUYKA-CYBMUJFWSA-N 0 0 244.294 2.293 50 0 BEAARN O=C(CC(F)(F)F)NCCc1ccsc1 ZINC000040509498 387934175 /nfs/dbraw/zinc/93/41/75/387934175.db2.gz ALRAENVQRZPHJM-UHFFFAOYSA-N 0 0 237.246 2.359 50 0 BEAARN Cc1cc(C(=O)Nc2cncc(F)c2)co1 ZINC000336457166 177821098 /nfs/dbraw/zinc/82/10/98/177821098.db2.gz MPXABPSAGOFAMR-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN C[C@H](Nc1cnc2ccccc2n1)C(C)(C)O ZINC000065516060 388070990 /nfs/dbraw/zinc/07/09/90/388070990.db2.gz RLMIBRXLRZXZMS-VIFPVBQESA-N 0 0 231.299 2.201 50 0 BEAARN CN(C[C@H]1CCCO1)C(=O)NC1CCCCC1 ZINC000065517271 388076037 /nfs/dbraw/zinc/07/60/37/388076037.db2.gz LZLGLTMEIOAXQA-GFCCVEGCSA-N 0 0 240.347 2.140 50 0 BEAARN CC(=O)c1cccc(OCC(=O)NC(C)(C)C)c1 ZINC000006515253 388080613 /nfs/dbraw/zinc/08/06/13/388080613.db2.gz UGDBSFFHGQECAA-UHFFFAOYSA-N 0 0 249.310 2.183 50 0 BEAARN C[C@@H]1CCN(C(=O)CO[C@H]2CCCC[C@@H]2C)C1 ZINC000084697737 388080706 /nfs/dbraw/zinc/08/07/06/388080706.db2.gz QPZSTHFPNYBBLY-AGIUHOORSA-N 0 0 239.359 2.450 50 0 BEAARN C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)[O-] ZINC000266998295 388083165 /nfs/dbraw/zinc/08/31/65/388083165.db2.gz BYGXVAMIPMPPGN-YPMHNXCESA-N 0 0 233.311 2.024 50 0 BEAARN CCCc1noc(CSC2=NCCS2)n1 ZINC000065565328 388084436 /nfs/dbraw/zinc/08/44/36/388084436.db2.gz QTUBRNIDFNIYBW-UHFFFAOYSA-N 0 0 243.357 2.358 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)s1 ZINC000042511355 388096245 /nfs/dbraw/zinc/09/62/45/388096245.db2.gz DLTPFNMXBUDSKO-VIFPVBQESA-N 0 0 249.339 2.072 50 0 BEAARN O=C1OCC[C@@H]1N1CCC2(CCCCC2)CC1 ZINC000065592190 388112364 /nfs/dbraw/zinc/11/23/64/388112364.db2.gz CFKMCRNPZYKYSV-LBPRGKRZSA-N 0 0 237.343 2.348 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013327494 388129431 /nfs/dbraw/zinc/12/94/31/388129431.db2.gz VNZRLJBSEBRLBD-PSASIEDQSA-N 0 0 233.267 2.052 50 0 BEAARN COc1cccc(NC(=O)C2CCC2)c1 ZINC000003607651 256511206 /nfs/dbraw/zinc/51/12/06/256511206.db2.gz AEIRCHWOUYQSEU-UHFFFAOYSA-N 0 0 205.257 2.434 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)N(C)C ZINC000036644293 388255334 /nfs/dbraw/zinc/25/53/34/388255334.db2.gz FZCJAUHUIMNICA-SECBINFHSA-N 0 0 204.273 2.119 50 0 BEAARN c1cn(Cc2noc(CC3CCCCC3)n2)cn1 ZINC000065288303 388255846 /nfs/dbraw/zinc/25/58/46/388255846.db2.gz XCZGQENYGQLEDZ-UHFFFAOYSA-N 0 0 246.314 2.437 50 0 BEAARN CC[C@@H](C)OCC(=O)N1CCSCC[C@@H]1C ZINC000170090489 388258166 /nfs/dbraw/zinc/25/81/66/388258166.db2.gz AAHKQOLETJPKNM-WDEREUQCSA-N 0 0 245.388 2.156 50 0 BEAARN C[C@@H](CCn1cccn1)Nc1cccc(CO)c1 ZINC000170608717 388246647 /nfs/dbraw/zinc/24/66/47/388246647.db2.gz ZAWVMBFXWRGXMK-LBPRGKRZSA-N 0 0 245.326 2.266 50 0 BEAARN Cn1nccc1C(=O)NC(C)(C)c1ccccc1 ZINC000065402524 388290081 /nfs/dbraw/zinc/29/00/81/388290081.db2.gz KNPRJLQDQRGZDO-UHFFFAOYSA-N 0 0 243.310 2.085 50 0 BEAARN Cc1cc(C(=O)N2CCSCC2)c(C)o1 ZINC000048326082 177762112 /nfs/dbraw/zinc/76/21/12/177762112.db2.gz XBXQMOLZZQVCJM-UHFFFAOYSA-N 0 0 225.313 2.085 50 0 BEAARN C[C@H](NC(=O)c1ccoc1)c1ccccn1 ZINC000028783615 388350471 /nfs/dbraw/zinc/35/04/71/388350471.db2.gz GGWHDDIWSOQNPD-VIFPVBQESA-N 0 0 216.240 2.166 50 0 BEAARN COCCn1c(C)csc1=Nc1cccnc1 ZINC000254710834 388350961 /nfs/dbraw/zinc/35/09/61/388350961.db2.gz IUWVGCFCHANYGT-UHFFFAOYSA-N 0 0 249.339 2.132 50 0 BEAARN CCN(CC)c1nc(C)nc2c(C)nn(CC)c21 ZINC000057355264 388357900 /nfs/dbraw/zinc/35/79/00/388357900.db2.gz PSHOSXVXHDVPIN-UHFFFAOYSA-N 0 0 247.346 2.309 50 0 BEAARN Cc1ccnc(N[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000230161316 388362655 /nfs/dbraw/zinc/36/26/55/388362655.db2.gz HXSQRAFUYUZMIL-QJPTWQEYSA-N 0 0 233.315 2.155 50 0 BEAARN Cc1nsc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000089721430 388364130 /nfs/dbraw/zinc/36/41/30/388364130.db2.gz SXVLHPQRXWXODY-BBBLOLIVSA-N 0 0 239.344 2.216 50 0 BEAARN CCSc1nnc(-c2ccco2)n1C ZINC000057652401 388365230 /nfs/dbraw/zinc/36/52/30/388365230.db2.gz QZGQKUAWFKQCES-UHFFFAOYSA-N 0 0 209.274 2.187 50 0 BEAARN CCCCNC(=S)Nc1ccc(OC)nc1 ZINC000003227976 388369255 /nfs/dbraw/zinc/36/92/55/388369255.db2.gz HVVLNYAJPTYWAB-UHFFFAOYSA-N 0 0 239.344 2.177 50 0 BEAARN Nc1ncccc1C(=O)NCCC1=CCCCC1 ZINC000067292119 388405423 /nfs/dbraw/zinc/40/54/23/388405423.db2.gz DLKIGMPUHKGUEB-UHFFFAOYSA-N 0 0 245.326 2.284 50 0 BEAARN C[C@@H](NC(=O)c1ccccc1O)C1CCC1 ZINC000089894235 388371387 /nfs/dbraw/zinc/37/13/87/388371387.db2.gz KUZZINCIZHTIPT-SECBINFHSA-N 0 0 219.284 2.311 50 0 BEAARN Cc1nc(Cl)cc(Sc2ncc[nH]2)n1 ZINC000076064202 388371946 /nfs/dbraw/zinc/37/19/46/388371946.db2.gz PFBDNGWFUSFGKX-UHFFFAOYSA-N 0 0 226.692 2.313 50 0 BEAARN CC(C)C[C@H](C)NC(=O)c1cc(O)cc(O)c1 ZINC000152855359 388372552 /nfs/dbraw/zinc/37/25/52/388372552.db2.gz AKBCVYGAELOFNR-VIFPVBQESA-N 0 0 237.299 2.262 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCN(C)Cc2ccccc21 ZINC000089920450 388372980 /nfs/dbraw/zinc/37/29/80/388372980.db2.gz VSPNQOVMEANQFU-DGCLKSJQSA-N 0 0 244.338 2.121 50 0 BEAARN Cc1ccc(C)c(NC(=O)COC(=O)C2CC2)c1 ZINC000003392898 388376756 /nfs/dbraw/zinc/37/67/56/388376756.db2.gz QTOJZTPSLRSNMQ-UHFFFAOYSA-N 0 0 247.294 2.195 50 0 BEAARN Cc1[nH]c(=S)c(C(N)=O)c2c1CCCC2 ZINC000067257800 388405718 /nfs/dbraw/zinc/40/57/18/388405718.db2.gz BHXUBVDVMHZHOF-UHFFFAOYSA-N 0 0 222.313 2.030 50 0 BEAARN CCONC(=O)CCc1c[nH]c2c1cccc2C ZINC000089988713 388379701 /nfs/dbraw/zinc/37/97/01/388379701.db2.gz KUADHHYYHRKUQW-UHFFFAOYSA-N 0 0 246.310 2.477 50 0 BEAARN CC(C)Cn1nc(-c2ccco2)ccc1=O ZINC000038790734 388406046 /nfs/dbraw/zinc/40/60/46/388406046.db2.gz PFMICOJSVIIMSC-UHFFFAOYSA-N 0 0 218.256 2.159 50 0 BEAARN O=c1nc(CC2CC2)[nH]c2sc3c(c21)CCC3 ZINC000090066156 388386354 /nfs/dbraw/zinc/38/63/54/388386354.db2.gz XYEYJDQLRHAFEK-UHFFFAOYSA-N 0 0 246.335 2.426 50 0 BEAARN CCc1ccccc1Nc1[nH]c(=O)nnc1C ZINC000008584509 388406121 /nfs/dbraw/zinc/40/61/21/388406121.db2.gz BECHHWBUUJSBTB-UHFFFAOYSA-N 0 0 230.271 2.192 50 0 BEAARN CN(C)c1ncnc2c1ncn2[C@@H]1C=CCCC1 ZINC000171793326 388406217 /nfs/dbraw/zinc/40/62/17/388406217.db2.gz MRUNKAJRAGSRMG-SNVBAGLBSA-N 0 0 243.314 2.174 50 0 BEAARN c1cncc(-c2nnc3sc(C4CC4)nn32)c1 ZINC000032072896 388391027 /nfs/dbraw/zinc/39/10/27/388391027.db2.gz TVBXNRRCHRXDPE-UHFFFAOYSA-N 0 0 243.295 2.125 50 0 BEAARN CC(C)(C)CCCCNC(=O)[C@H]1CCCO1 ZINC000071847589 388446612 /nfs/dbraw/zinc/44/66/12/388446612.db2.gz XYDWZNKDPUQNAH-LLVKDONJSA-N 0 0 227.348 2.498 50 0 BEAARN Cn1cc(OC[C@@H]2CCC(F)(F)C2)cn1 ZINC000335470571 388450879 /nfs/dbraw/zinc/45/08/79/388450879.db2.gz JJYBBMBOHOYAKH-MRVPVSSYSA-N 0 0 216.231 2.234 50 0 BEAARN COC[C@H](C)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000195550388 388480889 /nfs/dbraw/zinc/48/08/89/388480889.db2.gz RKKDJOJSSLBGMY-TUAOUCFPSA-N 0 0 239.359 2.376 50 0 BEAARN CCOC[C@H](O)COc1ccc(C)cc1C ZINC000193823663 388466351 /nfs/dbraw/zinc/46/63/51/388466351.db2.gz GUBYHAYQENWXAE-LBPRGKRZSA-N 0 0 224.300 2.080 50 0 BEAARN CC(C)CSCCCn1ncccc1=O ZINC000195419245 388471232 /nfs/dbraw/zinc/47/12/32/388471232.db2.gz VRJQSFCSFUQZAF-UHFFFAOYSA-N 0 0 226.345 2.023 50 0 BEAARN Cc1cc(C)cc(CN(C)CC(=O)NC2CC2)c1 ZINC000007792244 388471501 /nfs/dbraw/zinc/47/15/01/388471501.db2.gz AVCQRWYJFXUARO-UHFFFAOYSA-N 0 0 246.354 2.014 50 0 BEAARN C[C@@H](CCN(C)Cc1nc[nH]n1)c1ccccc1 ZINC000193980781 388474521 /nfs/dbraw/zinc/47/45/21/388474521.db2.gz DOVNWRGDAYRAID-LBPRGKRZSA-N 0 0 244.342 2.430 50 0 BEAARN COC(=O)c1ccc(C)c(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000007801432 388475336 /nfs/dbraw/zinc/47/53/36/388475336.db2.gz YRMMRZLPGIMWEW-ONGXEEELSA-N 0 0 247.294 2.376 50 0 BEAARN Cc1noc(C)c1CSc1nccn1C ZINC000040013430 388411489 /nfs/dbraw/zinc/41/14/89/388411489.db2.gz DVUNXYPPBPKMAF-UHFFFAOYSA-N 0 0 223.301 2.317 50 0 BEAARN Cc1noc(C)c1NC(=O)CC[C@H]1CCCO1 ZINC000068915064 388411746 /nfs/dbraw/zinc/41/17/46/388411746.db2.gz GSVYXRDCNNTMSB-SNVBAGLBSA-N 0 0 238.287 2.189 50 0 BEAARN Cc1cnc(NC(=O)c2cccn2C)s1 ZINC000069350384 388414424 /nfs/dbraw/zinc/41/44/24/388414424.db2.gz RRZHWWKFLWPGOV-UHFFFAOYSA-N 0 0 221.285 2.042 50 0 BEAARN CC(C)C(=O)N[C@H]1CCCc2occc21 ZINC000069373368 388415801 /nfs/dbraw/zinc/41/58/01/388415801.db2.gz JADBAAHMWJCFBW-JTQLQIEISA-N 0 0 207.273 2.429 50 0 BEAARN CSCCC(=O)N(C)Cc1ccsc1 ZINC000069463359 388416624 /nfs/dbraw/zinc/41/66/24/388416624.db2.gz DHDNQKPMOWWSBS-UHFFFAOYSA-N 0 0 229.370 2.460 50 0 BEAARN O=C1OCCN1CCSc1ccc(F)cc1 ZINC000069453021 388416768 /nfs/dbraw/zinc/41/67/68/388416768.db2.gz OJFDYRWZPHAEAL-UHFFFAOYSA-N 0 0 241.287 2.370 50 0 BEAARN C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccncc1 ZINC000040506280 388419115 /nfs/dbraw/zinc/41/91/15/388419115.db2.gz IEMOBKHSBXHKPK-YPMHNXCESA-N 0 0 248.326 2.218 50 0 BEAARN O=C(CC[C@H]1CCCO1)NCc1ccccc1 ZINC000040505772 388419301 /nfs/dbraw/zinc/41/93/01/388419301.db2.gz ZQZRFMJURIRIBZ-CYBMUJFWSA-N 0 0 233.311 2.262 50 0 BEAARN Cc1ccc(C)c(NC(=O)N(CCO)C2CC2)c1 ZINC000040525196 388420451 /nfs/dbraw/zinc/42/04/51/388420451.db2.gz XTROWOWQMUUNIY-UHFFFAOYSA-N 0 0 248.326 2.292 50 0 BEAARN COc1ncccc1NC(=O)Cc1cccs1 ZINC000040541657 388421047 /nfs/dbraw/zinc/42/10/47/388421047.db2.gz AEYDJULZHBCYNZ-UHFFFAOYSA-N 0 0 248.307 2.333 50 0 BEAARN c1ccc(N2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000069653751 388422745 /nfs/dbraw/zinc/42/27/45/388422745.db2.gz BOJAAJVREHISSN-LBPRGKRZSA-N 0 0 240.310 2.167 50 0 BEAARN S=C1N=NC(c2ccc(Br)o2)N1 ZINC000036948354 388424833 /nfs/dbraw/zinc/42/48/33/388424833.db2.gz ASXLYCYGBJYNSN-UHFFFAOYSA-N 0 0 246.089 2.116 50 0 BEAARN COC[C@@H](C)OC(=O)c1cc(C)ccc1F ZINC000069735889 388425686 /nfs/dbraw/zinc/42/56/86/388425686.db2.gz DXFQLZWHKMOOIC-SECBINFHSA-N 0 0 226.247 2.326 50 0 BEAARN O=C1OCCN1CCSCc1ccccc1 ZINC000069895140 388430062 /nfs/dbraw/zinc/43/00/62/388430062.db2.gz LPIAIUHVGYIKQS-UHFFFAOYSA-N 0 0 237.324 2.372 50 0 BEAARN CCc1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000009483057 388435720 /nfs/dbraw/zinc/43/57/20/388435720.db2.gz OZEHETYQVUMEEU-UHFFFAOYSA-N 0 0 242.278 2.190 50 0 BEAARN CC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000041423005 388436263 /nfs/dbraw/zinc/43/62/63/388436263.db2.gz POOHNYKBHFZBAO-TVQRCGJNSA-N 0 0 237.274 2.134 50 0 BEAARN O=C(Nc1nccs1)c1ccsc1 ZINC000009550229 388438179 /nfs/dbraw/zinc/43/81/79/388438179.db2.gz CZAYQDKALAQONM-UHFFFAOYSA-N 0 0 210.283 2.457 50 0 BEAARN CCS[C@H]1CC[C@H]([N@H+](C)CCCC(=O)[O-])C1 ZINC000174344039 388438962 /nfs/dbraw/zinc/43/89/62/388438962.db2.gz YXEZTWPSOVBOGF-QWRGUYRKSA-N 0 0 245.388 2.457 50 0 BEAARN Cc1cc(C(=O)O[C@H]2CCc3cccnc32)on1 ZINC000195579204 388497974 /nfs/dbraw/zinc/49/79/74/388497974.db2.gz ZZLDMCGQAIWDRI-JTQLQIEISA-N 0 0 244.250 2.222 50 0 BEAARN Cc1noc(C)c1CNc1cncc(F)c1 ZINC000300882432 388527661 /nfs/dbraw/zinc/52/76/61/388527661.db2.gz LNYRASIPLXESSH-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Nc1nc2ncc(C(F)(F)F)cc2s1 ZINC000072115236 388615076 /nfs/dbraw/zinc/61/50/76/388615076.db2.gz QSALCPGVJCPHOJ-UHFFFAOYSA-N 0 0 219.191 2.292 50 0 BEAARN O=C1c2cccnc2C(=O)N1C1CCCCC1 ZINC000000251877 388577250 /nfs/dbraw/zinc/57/72/50/388577250.db2.gz QDXKFLMQKVEENF-UHFFFAOYSA-N 0 0 230.267 2.010 50 0 BEAARN O=C([C@@H]1CCOC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114438360 388681879 /nfs/dbraw/zinc/68/18/79/388681879.db2.gz CPHKZMURMLEPPC-HIFRSBDPSA-N 0 0 249.354 2.372 50 0 BEAARN Cc1cc(Br)ccc1OCCO ZINC000057523727 177724771 /nfs/dbraw/zinc/72/47/71/177724771.db2.gz HPKRDSKOLPKIFX-UHFFFAOYSA-N 0 0 231.089 2.129 50 0 BEAARN CO[C@H](C)C(=O)N(Cc1ccccc1)C1CC1 ZINC000055117626 388664840 /nfs/dbraw/zinc/66/48/40/388664840.db2.gz NOAHINBUTROQEB-LLVKDONJSA-N 0 0 233.311 2.213 50 0 BEAARN Cc1ccoc1C(=O)NC[C@@H]1CCCS1 ZINC000089701960 388739433 /nfs/dbraw/zinc/73/94/33/388739433.db2.gz PYXMXKKDUKCJDB-VIFPVBQESA-N 0 0 225.313 2.213 50 0 BEAARN CO[C@@]1(C)C[C@@H](N(C)c2ncccn2)C1(C)C ZINC000078968210 388740902 /nfs/dbraw/zinc/74/09/02/388740902.db2.gz UDVJYLJFEYMEHN-MFKMUULPSA-N 0 0 235.331 2.116 50 0 BEAARN O=C(c1ccncc1F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089884889 388741502 /nfs/dbraw/zinc/74/15/02/388741502.db2.gz QHFNMLSCKTZUKM-QWRGUYRKSA-N 0 0 248.301 2.483 50 0 BEAARN C[C@]1(CO)CCC[C@@H]1NC(=O)C[C@H]1C=CCC1 ZINC000079109997 388744931 /nfs/dbraw/zinc/74/49/31/388744931.db2.gz YVHDZSLHMGJAGE-SGMGOOAPSA-N 0 0 237.343 2.010 50 0 BEAARN COC(=O)c1ccoc1CN1CCC[C@@H](C)C1 ZINC000055255699 388694056 /nfs/dbraw/zinc/69/40/56/388694056.db2.gz SLDUREQHIMSOKN-SNVBAGLBSA-N 0 0 237.299 2.298 50 0 BEAARN CCC[C@@H]1SCCN1C(=O)[C@@H](C)OCC ZINC000118651356 388731465 /nfs/dbraw/zinc/73/14/65/388731465.db2.gz LGEUIJAJLRDQJX-ZJUUUORDSA-N 0 0 231.361 2.113 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)OCCC(C)C)c1 ZINC000095946914 388794515 /nfs/dbraw/zinc/79/45/15/388794515.db2.gz UMYJHYCCZLHKQQ-UHFFFAOYSA-N 0 0 223.272 2.420 50 0 BEAARN COCc1cccc(NC(=S)NC2CC2)c1 ZINC000095948698 388794570 /nfs/dbraw/zinc/79/45/70/388794570.db2.gz AZTQBGURZSGCCQ-UHFFFAOYSA-N 0 0 236.340 2.282 50 0 BEAARN Cc1cnc(NCCOCC(C)C)nc1C ZINC000095978495 388797240 /nfs/dbraw/zinc/79/72/40/388797240.db2.gz NQNMUUBFYFXAGX-UHFFFAOYSA-N 0 0 223.320 2.178 50 0 BEAARN Cc1noc(C)c1[C@@H](C)CNc1ncccn1 ZINC000095973078 388797608 /nfs/dbraw/zinc/79/76/08/388797608.db2.gz DGKOHINNKKJFNI-QMMMGPOBSA-N 0 0 232.287 2.297 50 0 BEAARN c1cn(CCSC[C@@H]2CCCOC2)cn1 ZINC000095976702 388797728 /nfs/dbraw/zinc/79/77/28/388797728.db2.gz UCLJSICTVKOPNM-LLVKDONJSA-N 0 0 226.345 2.043 50 0 BEAARN C[C@H](O)C[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000095973266 388798396 /nfs/dbraw/zinc/79/83/96/388798396.db2.gz BSFLWGWMCXAUIN-AVGNSLFASA-N 0 0 237.343 2.105 50 0 BEAARN COC[C@@H](C)C(=O)Nc1ccnc(C)c1Cl ZINC000096008241 388803998 /nfs/dbraw/zinc/80/39/98/388803998.db2.gz FELCXKJXWAUJGB-SSDOTTSWSA-N 0 0 242.706 2.264 50 0 BEAARN Cc1cc(C(=O)Nc2nnc(C)s2)c(C)o1 ZINC000021346206 388806607 /nfs/dbraw/zinc/80/66/07/388806607.db2.gz WESRKERLSBENTL-UHFFFAOYSA-N 0 0 237.284 2.309 50 0 BEAARN Cc1nsc(C(=O)N(C)Cc2ccccc2)n1 ZINC000096098435 388809085 /nfs/dbraw/zinc/80/90/85/388809085.db2.gz YWNKNGNXPYFCEK-UHFFFAOYSA-N 0 0 247.323 2.119 50 0 BEAARN Cc1nc(/C=C\C(=O)N2CCCC2)cs1 ZINC000096305298 388814258 /nfs/dbraw/zinc/81/42/58/388814258.db2.gz CJIPSSTWELJHBN-PLNGDYQASA-N 0 0 222.313 2.087 50 0 BEAARN COCc1nc(C)cc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000095410694 388767937 /nfs/dbraw/zinc/76/79/37/388767937.db2.gz DEHDEWPPFROMEB-TXEJJXNPSA-N 0 0 247.342 2.168 50 0 BEAARN Cc1nnc(CN(C#N)c2cc(C)ccc2F)o1 ZINC000095412979 388768216 /nfs/dbraw/zinc/76/82/16/388768216.db2.gz OLCBVMFNLINBQK-UHFFFAOYSA-N 0 0 246.245 2.313 50 0 BEAARN COCCOc1ncccc1NCc1ccco1 ZINC000095430873 388769312 /nfs/dbraw/zinc/76/93/12/388769312.db2.gz BURWFWKHTPFKML-UHFFFAOYSA-N 0 0 248.282 2.312 50 0 BEAARN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(C)=O ZINC000095423386 388769597 /nfs/dbraw/zinc/76/95/97/388769597.db2.gz OVCBAGNIFOUREM-GHMZBOCLSA-N 0 0 213.321 2.058 50 0 BEAARN CSC[C@H](C)OC(=O)c1cncc(C)c1 ZINC000095426606 388769882 /nfs/dbraw/zinc/76/98/82/388769882.db2.gz KJNINRSOYTWXRZ-VIFPVBQESA-N 0 0 225.313 2.298 50 0 BEAARN COC(=O)c1ccc(Cn2cc(C)cn2)c(F)c1 ZINC000095442468 388771106 /nfs/dbraw/zinc/77/11/06/388771106.db2.gz BFWODUKQFQGATJ-UHFFFAOYSA-N 0 0 248.257 2.166 50 0 BEAARN C[C@@H](CO)NC(=O)C=C1CCC(C)(C)CC1 ZINC000095433551 388771637 /nfs/dbraw/zinc/77/16/37/388771637.db2.gz RGOGSRLFMDKHIX-JTQLQIEISA-N 0 0 225.332 2.010 50 0 BEAARN Cc1occc1COC(=O)c1cc(C)ncn1 ZINC000095444286 388773366 /nfs/dbraw/zinc/77/33/66/388773366.db2.gz XXZAEJZWIFWRHD-UHFFFAOYSA-N 0 0 232.239 2.043 50 0 BEAARN Nc1cccc([C@H]2NC(=O)c3ccccc3O2)c1 ZINC000096191920 388812700 /nfs/dbraw/zinc/81/27/00/388812700.db2.gz UYZVGBJHJAVAJK-AWEZNQCLSA-N 0 0 240.262 2.090 50 0 BEAARN Cn1nc([C@H](O)c2ccccc2)nc1C(C)(C)C ZINC000095497299 388777311 /nfs/dbraw/zinc/77/73/11/388777311.db2.gz TUECXYVIEKPCEE-LLVKDONJSA-N 0 0 245.326 2.194 50 0 BEAARN Cc1cc(C(=O)NC(C)(C)CO)ccc1Cl ZINC000125445606 388787720 /nfs/dbraw/zinc/78/77/20/388787720.db2.gz YSHAFHYLYBCSHP-UHFFFAOYSA-N 0 0 241.718 2.149 50 0 BEAARN Cc1ccn(CCC(=O)Nc2ccccc2)n1 ZINC000020989608 388790435 /nfs/dbraw/zinc/79/04/35/388790435.db2.gz LRSIATYYIPAHKI-UHFFFAOYSA-N 0 0 229.283 2.220 50 0 BEAARN CN(C)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000096305112 388814730 /nfs/dbraw/zinc/81/47/30/388814730.db2.gz YLXOBRULHDHSPM-FPLPWBNLSA-N 0 0 245.731 2.202 50 0 BEAARN O=C(/C=C\c1ccccc1)NCC(F)(F)F ZINC000096305096 388814815 /nfs/dbraw/zinc/81/48/15/388814815.db2.gz KGIONHWXPLPZDC-SREVYHEPSA-N 0 0 229.201 2.378 50 0 BEAARN CCCC(O)(CCC)CNC(=O)c1ccoc1 ZINC000096418507 388818305 /nfs/dbraw/zinc/81/83/05/388818305.db2.gz DKGNZAAKLDWGEB-UHFFFAOYSA-N 0 0 239.315 2.341 50 0 BEAARN COC[C@@H]1CCCN1C(=O)Cc1ccc(C)cc1 ZINC000096451646 388819634 /nfs/dbraw/zinc/81/96/34/388819634.db2.gz FMDQVKPDRPCEQH-AWEZNQCLSA-N 0 0 247.338 2.175 50 0 BEAARN c1cnc(N2CC[C@@H]3CCCC[C@@H]32)cn1 ZINC000096458966 388819775 /nfs/dbraw/zinc/81/97/75/388819775.db2.gz NTCJMHYDLMQTOG-QWRGUYRKSA-N 0 0 203.289 2.246 50 0 BEAARN O=c1c2ccsc2ccn1C[C@@H]1CCOC1 ZINC000096500040 388821650 /nfs/dbraw/zinc/82/16/50/388821650.db2.gz IXNGUNYYTSHCRL-VIFPVBQESA-N 0 0 235.308 2.100 50 0 BEAARN Cc1nc(/C=C\C(=O)NCc2ccco2)cs1 ZINC000096941994 388828276 /nfs/dbraw/zinc/82/82/76/388828276.db2.gz NCIZKUYYPUEXGX-PLNGDYQASA-N 0 0 248.307 2.374 50 0 BEAARN O=C(C(C1CC1)C1CC1)N1CCc2cnccc21 ZINC000097084696 388832972 /nfs/dbraw/zinc/83/29/72/388832972.db2.gz QEANQHHSNAQRNB-UHFFFAOYSA-N 0 0 242.322 2.407 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)Nc1ccc(C)cn1 ZINC000097107632 388834004 /nfs/dbraw/zinc/83/40/04/388834004.db2.gz QFJKEIWSUXBTIJ-UHFFFAOYSA-N 0 0 245.286 2.374 50 0 BEAARN C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)C1CC1 ZINC000225596107 388839290 /nfs/dbraw/zinc/83/92/90/388839290.db2.gz QEMQQXOYDANOBH-SNVBAGLBSA-N 0 0 245.322 2.079 50 0 BEAARN CC1(C)C[C@H](Nc2cnccn2)C(C)(C)O1 ZINC000272168706 389029058 /nfs/dbraw/zinc/02/90/58/389029058.db2.gz GMADGPMFGQKDLV-VIFPVBQESA-N 0 0 221.304 2.235 50 0 BEAARN Cc1c([C@@H](O)C(Cl)(Cl)Cl)cnn1C ZINC000074934393 177629947 /nfs/dbraw/zinc/62/99/47/177629947.db2.gz OKWUIVWVNIYPQV-ZCFIWIBFSA-N 0 0 243.521 2.132 50 0 BEAARN CO[C@H]1CCN(c2ccc(F)cn2)C[C@@H]1C ZINC000336273101 132246488 /nfs/dbraw/zinc/24/64/88/132246488.db2.gz VVKXXLAWBUNSQZ-ONGXEEELSA-N 0 0 224.279 2.082 50 0 BEAARN c1ccc2c(c1)ccnc2N1CCOCC1 ZINC000000406446 132292461 /nfs/dbraw/zinc/29/24/61/132292461.db2.gz LMJMDOQCXKCWMA-UHFFFAOYSA-N 0 0 214.268 2.071 50 0 BEAARN CC(=O)c1ccc(N2CCC=C(F)C2)nc1 ZINC000278672789 132306499 /nfs/dbraw/zinc/30/64/99/132306499.db2.gz GDBOZABJLAQSCI-UHFFFAOYSA-N 0 0 220.247 2.348 50 0 BEAARN COC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000000046859 132312581 /nfs/dbraw/zinc/31/25/81/132312581.db2.gz WIPQOZQLBAGHFR-UHFFFAOYSA-N 0 0 248.326 2.192 50 0 BEAARN Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000000107739 132312609 /nfs/dbraw/zinc/31/26/09/132312609.db2.gz CNVOJNRNRNAOOP-UHFFFAOYSA-N 0 0 246.232 2.124 50 0 BEAARN Cn1ccc(C(=O)N2CCCc3ccccc32)n1 ZINC000000483455 132313725 /nfs/dbraw/zinc/31/37/25/132313725.db2.gz KZTOYRSLHATIRH-UHFFFAOYSA-N 0 0 241.294 2.013 50 0 BEAARN C[C@@H]1CN(C(=O)n2ccnc2)c2ccccc2O1 ZINC000006751616 132318293 /nfs/dbraw/zinc/31/82/93/132318293.db2.gz JTILRCTUZDOOFC-SNVBAGLBSA-N 0 0 243.266 2.139 50 0 BEAARN O=Cc1ccc(N2CCSCC2)cc1 ZINC000008730201 132319109 /nfs/dbraw/zinc/31/91/09/132319109.db2.gz HUIFLINWAKWOBV-UHFFFAOYSA-N 0 0 207.298 2.052 50 0 BEAARN Cc1cc(Cl)nc(N2CCCCC2)n1 ZINC000008731101 132319119 /nfs/dbraw/zinc/31/91/19/132319119.db2.gz XUIPGTGXJXTPAO-UHFFFAOYSA-N 0 0 211.696 2.429 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000008803893 132319292 /nfs/dbraw/zinc/31/92/92/132319292.db2.gz HZBRFTDCQTWZKO-UHFFFAOYSA-N 0 0 246.310 2.334 50 0 BEAARN Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000011568744 132319507 /nfs/dbraw/zinc/31/95/07/132319507.db2.gz OTNDMNJNGWSWHX-UHFFFAOYSA-N 0 0 225.295 2.227 50 0 BEAARN CC[C@@H]1CCCCN1c1ccc(N)cn1 ZINC000011568756 132319649 /nfs/dbraw/zinc/31/96/49/132319649.db2.gz IUMXSODXNVPVLC-LLVKDONJSA-N 0 0 205.305 2.433 50 0 BEAARN Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000011847709 132320867 /nfs/dbraw/zinc/32/08/67/132320867.db2.gz NNOLELXTLALXFI-UHFFFAOYSA-N 0 0 242.278 2.455 50 0 BEAARN O=C1CCN(c2ccc(F)cc2F)CC1 ZINC000019429857 132324989 /nfs/dbraw/zinc/32/49/89/132324989.db2.gz IPHZDXYCDOEZDZ-UHFFFAOYSA-N 0 0 211.211 2.134 50 0 BEAARN Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000020256815 132330546 /nfs/dbraw/zinc/33/05/46/132330546.db2.gz KPESAFMKFLZNBC-UHFFFAOYSA-N 0 0 228.748 2.475 50 0 BEAARN O=C(Nc1ccc(N2CCCCC2)nc1)C1CC1 ZINC000020371638 132331510 /nfs/dbraw/zinc/33/15/10/132331510.db2.gz JOTWBXIDUFXTBM-UHFFFAOYSA-N 0 0 245.326 2.420 50 0 BEAARN CC(C)(C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000032858015 132335582 /nfs/dbraw/zinc/33/55/82/132335582.db2.gz TXWGKPJUAGEUHL-UHFFFAOYSA-N 0 0 246.310 2.408 50 0 BEAARN Nc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000036720948 132342530 /nfs/dbraw/zinc/34/25/30/132342530.db2.gz RKBDEYDDNCNVHV-UHFFFAOYSA-N 0 0 240.734 2.131 50 0 BEAARN c1ccc2c(c1)nncc2N1CCSCC1 ZINC000041122905 132349524 /nfs/dbraw/zinc/34/95/24/132349524.db2.gz JMKOLYRIALFGFY-UHFFFAOYSA-N 0 0 231.324 2.183 50 0 BEAARN C[C@@H]1CN(c2ncnc3ccccc32)C[C@H](C)O1 ZINC000041476127 132350261 /nfs/dbraw/zinc/35/02/61/132350261.db2.gz NONTWCXZCNNCBF-PHIMTYICSA-N 0 0 243.310 2.243 50 0 BEAARN Cc1cc(C)nc(N2CCC[C@@H](CCCO)C2)n1 ZINC000065373625 132389616 /nfs/dbraw/zinc/38/96/16/132389616.db2.gz UQPVGXMMVHASJV-ZDUSSCGKSA-N 0 0 249.358 2.082 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N1CCCc2ncccc21 ZINC000069514793 132390275 /nfs/dbraw/zinc/39/02/75/132390275.db2.gz OLAMLSJLYGEJSG-UWVGGRQHSA-N 0 0 216.284 2.017 50 0 BEAARN CC1(C)CN(c2ncnc3sccc32)CCO1 ZINC000071844448 132395643 /nfs/dbraw/zinc/39/56/43/132395643.db2.gz XKSOYEFGHVGOHU-UHFFFAOYSA-N 0 0 249.339 2.307 50 0 BEAARN Cc1ccoc1C(=O)N1CCOc2ncccc21 ZINC000089701950 132427285 /nfs/dbraw/zinc/42/72/85/132427285.db2.gz ARRVHCKJJXVLGY-UHFFFAOYSA-N 0 0 244.250 2.022 50 0 BEAARN CCS(=O)(=O)N1CCCc2ccc(C)cc21 ZINC000098013606 132432764 /nfs/dbraw/zinc/43/27/64/132432764.db2.gz ISCLEBDXSCVQQH-UHFFFAOYSA-N 0 0 239.340 2.097 50 0 BEAARN Fc1cccnc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000195575524 132449296 /nfs/dbraw/zinc/44/92/96/132449296.db2.gz MTIQZORFXGLLSD-RYUDHWBXSA-N 0 0 236.290 2.369 50 0 BEAARN O=C(NC1CCC(F)(F)CC1)c1ccccn1 ZINC000334720152 133740156 /nfs/dbraw/zinc/74/01/56/133740156.db2.gz ZIIFADNGSPEZIZ-UHFFFAOYSA-N 0 0 240.253 2.389 50 0 BEAARN FC(F)(F)c1cncc(Cn2ccnc2)c1 ZINC000336020426 134055213 /nfs/dbraw/zinc/05/52/13/134055213.db2.gz PDVPRFXDUWXKHI-UHFFFAOYSA-N 0 0 227.189 2.345 50 0 BEAARN Cc1nc(C)c(F)c(Sc2ncco2)n1 ZINC000336183690 134120418 /nfs/dbraw/zinc/12/04/18/134120418.db2.gz RPXWNJUYZJTQJY-UHFFFAOYSA-N 0 0 225.248 2.372 50 0 BEAARN CC(C)Cc1csc(-c2nc[nH]n2)n1 ZINC000408524577 134809615 /nfs/dbraw/zinc/80/96/15/134809615.db2.gz VWCHITOOROOPFP-UHFFFAOYSA-N 0 0 208.290 2.127 50 0 BEAARN O=C1OCCc2ccc(Br)cc21 ZINC000203722632 134865189 /nfs/dbraw/zinc/86/51/89/134865189.db2.gz PAMOJTCNFNGBLS-UHFFFAOYSA-N 0 0 227.057 2.162 50 0 BEAARN O=C(Nc1cncc(F)c1)c1ccco1 ZINC000082356052 134952569 /nfs/dbraw/zinc/95/25/69/134952569.db2.gz SFZALGCGSYCNSI-UHFFFAOYSA-N 0 0 206.176 2.066 50 0 BEAARN C[C@@H]1CCCCCN1C(=O)Nc1ccn(C)n1 ZINC000075612651 134966638 /nfs/dbraw/zinc/96/66/38/134966638.db2.gz LMFKILOSSUMEAU-SNVBAGLBSA-N 0 0 236.319 2.217 50 0 BEAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccon1 ZINC000247240698 134974621 /nfs/dbraw/zinc/97/46/21/134974621.db2.gz ZCAVDMUAONDKEQ-CKYFFXLPSA-N 0 0 234.299 2.468 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCO1 ZINC000252162848 135085695 /nfs/dbraw/zinc/08/56/95/135085695.db2.gz QAXXGJLIECIBIL-MROQNXINSA-N 0 0 237.343 2.345 50 0 BEAARN CC(C)(C)CCC[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000261527238 135150988 /nfs/dbraw/zinc/15/09/88/135150988.db2.gz CTCIMVDNGNMARU-JTQLQIEISA-N 0 0 213.321 2.219 50 0 BEAARN O=C(N[C@@H]1CC[C@H](F)C1)c1ccsc1 ZINC000334287250 135340261 /nfs/dbraw/zinc/34/02/61/135340261.db2.gz XTYJNFXJNRSLRC-DTWKUNHWSA-N 0 0 213.277 2.369 50 0 BEAARN O=C(Nc1ccc(F)cn1)c1ccoc1 ZINC000334343554 135365397 /nfs/dbraw/zinc/36/53/97/135365397.db2.gz MJGBQKOBQZVXSQ-UHFFFAOYSA-N 0 0 206.176 2.066 50 0 BEAARN Cn1c(C(=O)n2ccnc2)cc2ccccc21 ZINC000082272226 135432608 /nfs/dbraw/zinc/43/26/08/135432608.db2.gz ADYHRNBAGGTTOP-UHFFFAOYSA-N 0 0 225.251 2.063 50 0 BEAARN CCCO[C@H]1CCC[N@@H+]([C@@H](CC)C(=O)[O-])CC1 ZINC000191417769 135519999 /nfs/dbraw/zinc/51/99/99/135519999.db2.gz WDUTZPAJISAQHM-RYUDHWBXSA-N 0 0 243.347 2.131 50 0 BEAARN O=C(N[C@H]1CC[C@H](F)C1)c1ccccc1 ZINC000335316410 136024979 /nfs/dbraw/zinc/02/49/79/136024979.db2.gz NSLWDKZVFDXDEY-QWRGUYRKSA-N 0 0 207.248 2.307 50 0 BEAARN Cc1cc(F)ccc1[C@@H]1CCCN1C(N)=O ZINC000335392568 136091347 /nfs/dbraw/zinc/09/13/47/136091347.db2.gz LHULEOZLFGQDIW-NSHDSACASA-N 0 0 222.263 2.350 50 0 BEAARN CN(Cc1ccc[nH]1)C(=O)[C@]1(C)CC1(F)F ZINC000335559387 136100336 /nfs/dbraw/zinc/10/03/36/136100336.db2.gz YGFMEFGSPFLSIT-JTQLQIEISA-N 0 0 228.242 2.018 50 0 BEAARN CC(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000082733977 322860907 /nfs/dbraw/zinc/86/09/07/322860907.db2.gz XUGRSJLNNZNGKC-UHFFFAOYSA-N 0 0 201.229 2.035 50 0 BEAARN CSc1ccc2c(c1)NC(=O)CS2 ZINC000001475813 397734873 /nfs/dbraw/zinc/73/48/73/397734873.db2.gz PIEYDXRGRMYIDY-UHFFFAOYSA-N 0 0 211.311 2.453 50 0 BEAARN CCc1cc(N[C@@H]2CCCSC2)n(C)n1 ZINC000097370886 397928818 /nfs/dbraw/zinc/92/88/18/397928818.db2.gz YSANUSZHYSHJIV-SNVBAGLBSA-N 0 0 225.361 2.290 50 0 BEAARN CCCCOC(=O)[C@H](C)Sc1nccn1C ZINC000071922105 397934115 /nfs/dbraw/zinc/93/41/15/397934115.db2.gz FYYGXHKRTJRLKL-VIFPVBQESA-N 0 0 242.344 2.244 50 0 BEAARN CC(C)C(=O)Nc1cccn2nc(C(C)C)nc12 ZINC000065283626 397961169 /nfs/dbraw/zinc/96/11/69/397961169.db2.gz UGJGOHBJQIDODM-UHFFFAOYSA-N 0 0 246.314 2.447 50 0 BEAARN Cc1ccccc1OCCn1ccnc1 ZINC000000433203 397914730 /nfs/dbraw/zinc/91/47/30/397914730.db2.gz JEAPDNXANYULCR-UHFFFAOYSA-N 0 0 202.257 2.271 50 0 BEAARN CC1(C)COC(c2cccc(N)c2)OC1 ZINC000030834248 397999927 /nfs/dbraw/zinc/99/99/27/397999927.db2.gz MFWSGQYPCLNFFC-UHFFFAOYSA-N 0 0 207.273 2.340 50 0 BEAARN CC[C@H](Oc1ccccc1Cl)C(=O)NC ZINC000033359562 398010942 /nfs/dbraw/zinc/01/09/42/398010942.db2.gz RYYBBQYQOCVIAB-VIFPVBQESA-N 0 0 227.691 2.243 50 0 BEAARN Cc1cccc(C(=O)Nc2cn[nH]c2)c1C ZINC000035237564 398018799 /nfs/dbraw/zinc/01/87/99/398018799.db2.gz XBXHEFSOVPGDIT-UHFFFAOYSA-N 0 0 215.256 2.279 50 0 BEAARN C[C@]1(F)CCCN(Cc2nccs2)C1 ZINC000295950389 398021996 /nfs/dbraw/zinc/02/19/96/398021996.db2.gz HAIBKSUOIVSWEI-JTQLQIEISA-N 0 0 214.309 2.467 50 0 BEAARN CC(C)c1ncc(Br)cn1 ZINC000040539409 398028790 /nfs/dbraw/zinc/02/87/90/398028790.db2.gz AQLRZRAEKSQHCD-UHFFFAOYSA-N 0 0 201.067 2.363 50 0 BEAARN CC(C)=CCS(=O)(=O)C[Si](C)(C)C ZINC000198040348 398034592 /nfs/dbraw/zinc/03/45/92/398034592.db2.gz IEDMXQTUMXCQLH-UHFFFAOYSA-N 0 0 220.410 2.245 50 0 BEAARN CC(C)CC[C@@H](C)NC(=O)/C=C/c1cnn(C)c1 ZINC000023258624 397977676 /nfs/dbraw/zinc/97/76/76/397977676.db2.gz ZMGJIVISUSCTHE-ABZNLYFFSA-N 0 0 249.358 2.374 50 0 BEAARN C[C@@H](NC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000032779592 397980430 /nfs/dbraw/zinc/98/04/30/397980430.db2.gz ORVMNWRTDGUJFL-PWSUYJOCSA-N 0 0 234.299 2.376 50 0 BEAARN Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000054187174 398064571 /nfs/dbraw/zinc/06/45/71/398064571.db2.gz DYELEHQSBJRAES-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN COC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1 ZINC000083179276 398067375 /nfs/dbraw/zinc/06/73/75/398067375.db2.gz ZLJPTKYNJVRJJK-UHFFFAOYSA-N 0 0 238.193 2.142 50 0 BEAARN CC/C=C(/C)C(=O)Nc1ccc(OC)nc1 ZINC000058149737 398070814 /nfs/dbraw/zinc/07/08/14/398070814.db2.gz SEVZGSOPCSNEAQ-UITAMQMPSA-N 0 0 220.272 2.385 50 0 BEAARN CC(C)CC(=O)n1nnc2ccccc21 ZINC000000443646 398093814 /nfs/dbraw/zinc/09/38/14/398093814.db2.gz WCIWFJPWKVICOZ-UHFFFAOYSA-N 0 0 203.245 2.118 50 0 BEAARN Cn1c2cc(NCc3ccco3)ccc2oc1=O ZINC000095971939 398089214 /nfs/dbraw/zinc/08/92/14/398089214.db2.gz MKSQGRURAGYHGJ-UHFFFAOYSA-N 0 0 244.250 2.337 50 0 BEAARN Clc1cncc2ncc(Br)n21 ZINC000066322894 398091058 /nfs/dbraw/zinc/09/10/58/398091058.db2.gz DXUIOWWBZICVCQ-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Cc1noc(C)c1NC(=O)N[C@H](C)C(C)C ZINC000060343574 398057445 /nfs/dbraw/zinc/05/74/45/398057445.db2.gz RNADFLWIBDSPCT-SSDOTTSWSA-N 0 0 225.292 2.457 50 0 BEAARN CC(C)Cn1c2ccccc2nc1NCCCO ZINC000001805670 398100733 /nfs/dbraw/zinc/10/07/33/398100733.db2.gz MOVWZILUCKFFKZ-UHFFFAOYSA-N 0 0 247.342 2.487 50 0 BEAARN CSCC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000032905645 398120190 /nfs/dbraw/zinc/12/01/90/398120190.db2.gz MOILPBVCKQCDKU-LBPRGKRZSA-N 0 0 235.352 2.495 50 0 BEAARN O=C(C1CCC1)N(Cc1ccncc1)C1CC1 ZINC000054534593 398114207 /nfs/dbraw/zinc/11/42/07/398114207.db2.gz JRLXAXIGXDHOFQ-UHFFFAOYSA-N 0 0 230.311 2.373 50 0 BEAARN CCCc1cnc(N(C)CCC(C)(C)O)nc1 ZINC000670471679 487529707 /nfs/dbraw/zinc/52/97/07/487529707.db2.gz HLAVFNMZNGGBOF-UHFFFAOYSA-N 0 0 237.347 2.026 50 0 BEAARN Cc1cc(Br)cc2c1NC(=O)C2 ZINC000084193874 177721945 /nfs/dbraw/zinc/72/19/45/177721945.db2.gz MZNDURZLKXBGAU-UHFFFAOYSA-N 0 0 226.073 2.252 50 0 BEAARN O=C(NCc1nccs1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000585090295 487574358 /nfs/dbraw/zinc/57/43/58/487574358.db2.gz JETFBVOOLVCROR-OUAUKWLOSA-N 0 0 248.351 2.362 50 0 BEAARN CC(C)SCC(=O)NCc1ccco1 ZINC000040069947 167320329 /nfs/dbraw/zinc/32/03/29/167320329.db2.gz OKOZUQHILKYAOL-UHFFFAOYSA-N 0 0 213.302 2.037 50 0 BEAARN CCCCNC(=O)Nc1nc(COC)cs1 ZINC000096435564 409985175 /nfs/dbraw/zinc/98/51/75/409985175.db2.gz OCDWYFKNYKGOPR-UHFFFAOYSA-N 0 0 243.332 2.211 50 0 BEAARN O=C(c1ccc(Cl)cc1)N1CC(CF)C1 ZINC000335221665 410035612 /nfs/dbraw/zinc/03/56/12/410035612.db2.gz LHLXZXQOCJWBOQ-UHFFFAOYSA-N 0 0 227.666 2.382 50 0 BEAARN Cc1cc(C)nc(NC(=O)NCC2CC2)c1 ZINC000097142967 410061847 /nfs/dbraw/zinc/06/18/47/410061847.db2.gz MIWPQNWENBTFFS-UHFFFAOYSA-N 0 0 219.288 2.230 50 0 BEAARN Brc1ccc(N2CCCC2)cn1 ZINC000044121152 166097324 /nfs/dbraw/zinc/09/73/24/166097324.db2.gz MLWDKMVRHSEBPE-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Brc1ccc(NC2CC2)nc1 ZINC000021018455 166098035 /nfs/dbraw/zinc/09/80/35/166098035.db2.gz ITKZPCOJFUVIQO-UHFFFAOYSA-N 0 0 213.078 2.418 50 0 BEAARN Brc1ccc2cnncc2c1 ZINC000015043076 166099644 /nfs/dbraw/zinc/09/96/44/166099644.db2.gz PEXFBIQTIZNHNP-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc2c(c1)OCOC2 ZINC000005177576 166099779 /nfs/dbraw/zinc/09/97/79/166099779.db2.gz QUGBTFFUNSJJFL-UHFFFAOYSA-N 0 0 215.046 2.316 50 0 BEAARN Brc1cccc(CC2OCCO2)c1 ZINC000002529047 166100735 /nfs/dbraw/zinc/10/07/35/166100735.db2.gz KCGZEZMTTSJESB-UHFFFAOYSA-N 0 0 243.100 2.365 50 0 BEAARN Brc1cccc(C2OCCO2)c1 ZINC000004289396 166100779 /nfs/dbraw/zinc/10/07/79/166100779.db2.gz VYPYKCPWNPPBBX-UHFFFAOYSA-N 0 0 229.073 2.495 50 0 BEAARN Brc1cccc2ncncc12 ZINC000035270050 166101159 /nfs/dbraw/zinc/10/11/59/166101159.db2.gz IAQNFOPKXLQOLR-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1cccc(N2CCCC2)n1 ZINC000020230769 166101187 /nfs/dbraw/zinc/10/11/87/166101187.db2.gz HZOWJDJNPISFJC-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Brc1cnc(Br)nc1 ZINC000008698478 166104226 /nfs/dbraw/zinc/10/42/26/166104226.db2.gz XAHITOJPIWZJHD-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN Brc1cnc2c(c1)CCCN2 ZINC000026460214 166104664 /nfs/dbraw/zinc/10/46/64/166104664.db2.gz OVYOPQIKOHSBSV-UHFFFAOYSA-N 0 0 213.078 2.202 50 0 BEAARN Brc1cnc(-c2cccnc2)nc1 ZINC000072192013 166105112 /nfs/dbraw/zinc/10/51/12/166105112.db2.gz DYDJFOKPOCYNAD-UHFFFAOYSA-N 0 0 236.072 2.301 50 0 BEAARN CCN(CC)C(=O)CCc1ccccc1OC ZINC000044866946 169745809 /nfs/dbraw/zinc/74/58/09/169745809.db2.gz XNCJPLHIAZKFIH-UHFFFAOYSA-N 0 0 235.327 2.496 50 0 BEAARN CCN(CC)C(=O)CCc1ccccc1 ZINC000000030608 169745997 /nfs/dbraw/zinc/74/59/97/169745997.db2.gz SEZMMTPBSLASLA-UHFFFAOYSA-N 0 0 205.301 2.488 50 0 BEAARN CC(=O)c1cccc(N2CCCC2=O)c1 ZINC000004218342 166475660 /nfs/dbraw/zinc/47/56/60/166475660.db2.gz ZGDVMJMNNOENMN-UHFFFAOYSA-N 0 0 203.241 2.016 50 0 BEAARN CC(C)(C)CC(=O)NC(=S)N1CCCCC1 ZINC000000950473 166547400 /nfs/dbraw/zinc/54/74/00/166547400.db2.gz BYRDSSNEQOIMLI-UHFFFAOYSA-N 0 0 242.388 2.310 50 0 BEAARN CC(C)(C)CC(C)(C)NC(=O)c1ccn[nH]1 ZINC000049637617 166552482 /nfs/dbraw/zinc/55/24/82/166552482.db2.gz TZDKOMOVMFFHIO-UHFFFAOYSA-N 0 0 223.320 2.354 50 0 BEAARN CC(C)(C)NC(=O)CCc1ccc2c(c1)OCO2 ZINC000053663957 166613680 /nfs/dbraw/zinc/61/36/80/166613680.db2.gz VQONLUQNQWTSBL-UHFFFAOYSA-N 0 0 249.310 2.263 50 0 BEAARN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](O)C1 ZINC000072233470 166658752 /nfs/dbraw/zinc/65/87/52/166658752.db2.gz YEWSLYNGBGAZEV-GFCCVEGCSA-N 0 0 249.310 2.471 50 0 BEAARN CC(C)(C)OC(=O)Nc1nccs1 ZINC000035287626 166670535 /nfs/dbraw/zinc/67/05/35/166670535.db2.gz NCJXQSNROJRSSL-UHFFFAOYSA-N 0 0 200.263 2.490 50 0 BEAARN CCc1nccn1CCc1ccccn1 ZINC000111550858 410710484 /nfs/dbraw/zinc/71/04/84/410710484.db2.gz KZVLHSLTBQJOCR-UHFFFAOYSA-N 0 0 201.273 2.083 50 0 BEAARN CC(C)C(=O)NCCOc1ccccc1Cl ZINC000072115434 166720258 /nfs/dbraw/zinc/72/02/58/166720258.db2.gz BUWOFHXNNNIRPJ-UHFFFAOYSA-N 0 0 241.718 2.491 50 0 BEAARN CC(C)C(=O)Nc1onc2c1CCCC2 ZINC000011914102 166731357 /nfs/dbraw/zinc/73/13/57/166731357.db2.gz LAHWCMWSVRJBFW-UHFFFAOYSA-N 0 0 208.261 2.148 50 0 BEAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc[nH]1 ZINC000102256100 410829241 /nfs/dbraw/zinc/82/92/41/410829241.db2.gz NTKQXDJCDRPJOC-FMIVXFBMSA-N 0 0 238.246 2.359 50 0 BEAARN CC[C@H]1CN(C(=O)c2sccc2C)CCO1 ZINC000040062970 410861800 /nfs/dbraw/zinc/86/18/00/410861800.db2.gz JIUMOFBUXSXDCH-JTQLQIEISA-N 0 0 239.340 2.308 50 0 BEAARN C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccccc1 ZINC000040490080 410876369 /nfs/dbraw/zinc/87/63/69/410876369.db2.gz BKKOFXVZUIRYJE-JTQLQIEISA-N 0 0 239.340 2.106 50 0 BEAARN CC(C)CNC(=O)c1cc2ccccc2oc1=O ZINC000000341401 166996630 /nfs/dbraw/zinc/99/66/30/166996630.db2.gz BKVFDOZWDVAMFZ-UHFFFAOYSA-N 0 0 245.278 2.179 50 0 in-vivo BEAARN CC(C)NC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000002990922 167036439 /nfs/dbraw/zinc/03/64/39/167036439.db2.gz MGHOOKCFIBWPDW-UHFFFAOYSA-N 0 0 248.326 2.273 50 0 BEAARN CC(C)NC(=O)CCc1ccc(F)c(F)c1 ZINC000040505682 167046033 /nfs/dbraw/zinc/04/60/33/167046033.db2.gz XRCCLINYCHFHNH-UHFFFAOYSA-N 0 0 227.254 2.422 50 0 BEAARN CC(C)NC(=O)N1CCc2ccccc2C1 ZINC000017115061 167071646 /nfs/dbraw/zinc/07/16/46/167071646.db2.gz PFGACPZFOYBJLA-UHFFFAOYSA-N 0 0 218.300 2.163 50 0 BEAARN CC(C)NC(=O)N1CCc2sccc2C1 ZINC000022382149 167071532 /nfs/dbraw/zinc/07/15/32/167071532.db2.gz YFQNLOKDROKUOK-UHFFFAOYSA-N 0 0 224.329 2.224 50 0 BEAARN CC(C)NC(=O)NCCSc1ccccc1 ZINC000032862584 167073906 /nfs/dbraw/zinc/07/39/06/167073906.db2.gz NZJLUFZCNCPLPL-UHFFFAOYSA-N 0 0 238.356 2.486 50 0 BEAARN CC(C)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000015554527 167084314 /nfs/dbraw/zinc/08/43/14/167084314.db2.gz NAOLHRIHJPKZAN-LLVKDONJSA-N 0 0 239.702 2.168 50 0 BEAARN CC(C)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000012865280 167084410 /nfs/dbraw/zinc/08/44/10/167084410.db2.gz NLKVEGNEEKPXKH-LLVKDONJSA-N 0 0 221.325 2.228 50 0 BEAARN CC(C)NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000065415452 167085589 /nfs/dbraw/zinc/08/55/89/167085589.db2.gz NWUGYTJGSWPKJU-UHFFFAOYSA-N 0 0 235.312 2.276 50 0 BEAARN CC(C)NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000070248390 167086634 /nfs/dbraw/zinc/08/66/34/167086634.db2.gz JLBLNIVPURLDQP-UHFFFAOYSA-N 0 0 229.283 2.215 50 0 BEAARN CC(C)NC(=O)c1ccc2c(ccn2C)c1 ZINC000064551704 167087686 /nfs/dbraw/zinc/08/76/86/167087686.db2.gz YGCMMZHXYMXHCC-UHFFFAOYSA-N 0 0 216.284 2.317 50 0 BEAARN CC(C)NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000065402475 167090052 /nfs/dbraw/zinc/09/00/52/167090052.db2.gz PLLSGPLDHZJGBG-UHFFFAOYSA-N 0 0 247.273 2.150 50 0 BEAARN CC(C)NC(=O)c1ncoc1-c1ccccc1 ZINC000064556769 167092681 /nfs/dbraw/zinc/09/26/81/167092681.db2.gz FRDXWWSXUIXACZ-UHFFFAOYSA-N 0 0 230.267 2.480 50 0 BEAARN CC(C)O[C@H](C)c1nncn1-c1cccnc1 ZINC000067695055 167282695 /nfs/dbraw/zinc/28/26/95/167282695.db2.gz NPLSNJVOLTVGKI-SNVBAGLBSA-N 0 0 232.287 2.148 50 0 BEAARN CC(C)Oc1ccc(Cl)c(C(N)=S)n1 ZINC000039947670 167293428 /nfs/dbraw/zinc/29/34/28/167293428.db2.gz AESIUGURSGVQFP-UHFFFAOYSA-N 0 0 230.720 2.156 50 0 BEAARN CC(C)Oc1cccc(Cn2ncccc2=O)c1 ZINC000195422336 167306117 /nfs/dbraw/zinc/30/61/17/167306117.db2.gz IDCDCMHEDFBKIE-UHFFFAOYSA-N 0 0 244.294 2.079 50 0 BEAARN CC(C)Sc1nc2c(c(=O)[nH]1)CCCC2 ZINC000004002363 167338649 /nfs/dbraw/zinc/33/86/49/167338649.db2.gz LQPZODPCAWSFAJ-UHFFFAOYSA-N 0 0 224.329 2.149 50 0 BEAARN CC(C)Sc1nc2sccc2c(=O)n1C ZINC000029356638 167339251 /nfs/dbraw/zinc/33/92/51/167339251.db2.gz IHBPNTFUYROJGM-UHFFFAOYSA-N 0 0 240.353 2.496 50 0 BEAARN CC(C)[C@@H](C)Nc1cncc(-n2cccn2)n1 ZINC000068622612 167388196 /nfs/dbraw/zinc/38/81/96/167388196.db2.gz ZVJDWXLILIWNOY-SNVBAGLBSA-N 0 0 231.303 2.119 50 0 BEAARN CC(C)[C@@H](CCO)Nc1cccc(F)n1 ZINC000096427258 167393213 /nfs/dbraw/zinc/39/32/13/167393213.db2.gz MZIJUPQDGPPHES-SECBINFHSA-N 0 0 212.268 2.040 50 0 BEAARN CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1)C(=O)[O-] ZINC000019787747 167433775 /nfs/dbraw/zinc/43/37/75/167433775.db2.gz RFVLQWXZKUADGB-LLVKDONJSA-N 0 0 225.263 2.025 50 0 BEAARN CCN(CC)S(=O)(=O)c1ccc(C)cc1C ZINC000005672201 169794162 /nfs/dbraw/zinc/79/41/62/169794162.db2.gz NPWMBRJAXOMJRU-UHFFFAOYSA-N 0 0 241.356 2.334 50 0 BEAARN CC(C)[C@H]1Oc2cc3oc(=O)ccc3cc2C1=O ZINC000100379619 167520522 /nfs/dbraw/zinc/52/05/22/167520522.db2.gz PYTXVUBIYABGPG-CQSZACIVSA-N 0 0 244.246 2.393 50 0 biogenic BEAARN CC(C)[C@](C)(O)CNc1cccc(F)n1 ZINC000075050853 167535345 /nfs/dbraw/zinc/53/53/45/167535345.db2.gz CGGZNOTWVIIQHL-LLVKDONJSA-N 0 0 212.268 2.040 50 0 BEAARN CC(C)c1ccc(C(=O)N2CCC[C@@H](O)C2)cc1 ZINC000032720023 167586491 /nfs/dbraw/zinc/58/64/91/167586491.db2.gz AAPNMCRVFNQCKL-CQSZACIVSA-N 0 0 247.338 2.407 50 0 BEAARN CC(C)c1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000058314155 167594694 /nfs/dbraw/zinc/59/46/94/167594694.db2.gz CHCRLEJZPJQROU-UHFFFAOYSA-N 0 0 241.356 2.201 50 0 BEAARN CC(C)c1ccccc1NC(=O)[C@H]1CCC(=O)N1 ZINC000032999934 167641034 /nfs/dbraw/zinc/64/10/34/167641034.db2.gz MWSQDYGFKHWVBM-GFCCVEGCSA-N 0 0 246.310 2.027 50 0 BEAARN Cc1ccnc(NC(=O)CCc2cccnc2)c1 ZINC000044874845 411141473 /nfs/dbraw/zinc/14/14/73/411141473.db2.gz ISYVHSJHXKSPQP-UHFFFAOYSA-N 0 0 241.294 2.356 50 0 BEAARN Cc1cc(NC(=O)N[C@H](C)c2ccncc2)no1 ZINC000044889565 411142114 /nfs/dbraw/zinc/14/21/14/411142114.db2.gz USBXWOBIOJHSID-SECBINFHSA-N 0 0 246.270 2.261 50 0 BEAARN Cc1cc(C(=O)N(C)[C@H](C)CC(C)C)on1 ZINC000045088588 411144128 /nfs/dbraw/zinc/14/41/28/411144128.db2.gz LFOUNKFBRQGWSJ-SNVBAGLBSA-N 0 0 224.304 2.490 50 0 BEAARN Cc1nc(CNC(=O)Nc2ccncc2)cs1 ZINC000045344352 411145795 /nfs/dbraw/zinc/14/57/95/411145795.db2.gz JDUMONLIXGBBEM-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN CCN(CC(C)C)C(=O)c1cc(C)on1 ZINC000045530217 411147252 /nfs/dbraw/zinc/14/72/52/411147252.db2.gz JIYQARMDAVPPHZ-UHFFFAOYSA-N 0 0 210.277 2.101 50 0 BEAARN Cc1cc(C(=O)N(C)[C@@H](C)CC(C)C)no1 ZINC000045781425 411149013 /nfs/dbraw/zinc/14/90/13/411149013.db2.gz IEGCLIBZLAPRIW-VIFPVBQESA-N 0 0 224.304 2.490 50 0 BEAARN Cc1ccc2nnc(C(=O)N3CCCC3)cc2c1 ZINC000046087730 411152801 /nfs/dbraw/zinc/15/28/01/411152801.db2.gz UTOFBKABVCILCX-UHFFFAOYSA-N 0 0 241.294 2.174 50 0 BEAARN CC(C)c1nnc(NCc2cccn2C)o1 ZINC000097045366 167712691 /nfs/dbraw/zinc/71/26/91/167712691.db2.gz QTENLTAVJBZUJV-UHFFFAOYSA-N 0 0 220.276 2.144 50 0 BEAARN CC(C)CCn1nccc1NC(=O)NC(C)C ZINC000047466426 411122199 /nfs/dbraw/zinc/12/21/99/411122199.db2.gz SJCJGBXSCQFBJF-UHFFFAOYSA-N 0 0 238.335 2.459 50 0 BEAARN c1nc(CN(C[C@H]2CCOC2)C2CC2)cs1 ZINC000048251543 411183300 /nfs/dbraw/zinc/18/33/00/411183300.db2.gz WCWRZSYGGOGIIX-SNVBAGLBSA-N 0 0 238.356 2.144 50 0 BEAARN c1nc(CN(C[C@@H]2CCOC2)C2CC2)cs1 ZINC000048251541 411183469 /nfs/dbraw/zinc/18/34/69/411183469.db2.gz WCWRZSYGGOGIIX-JTQLQIEISA-N 0 0 238.356 2.144 50 0 BEAARN COc1ncccc1NC(=O)N1CCC(C)CC1 ZINC000048415290 411197836 /nfs/dbraw/zinc/19/78/36/411197836.db2.gz WQTNPKQILMTJID-UHFFFAOYSA-N 0 0 249.314 2.354 50 0 BEAARN Cn1ccc(CSc2ccc(O)cc2)cc1=O ZINC000048601549 411205472 /nfs/dbraw/zinc/20/54/72/411205472.db2.gz CFNOAYKZAWIFAZ-UHFFFAOYSA-N 0 0 247.319 2.383 50 0 BEAARN CC(C)c1cc(NC(=O)c2ccoc2)n[nH]1 ZINC000049044206 411223286 /nfs/dbraw/zinc/22/32/86/411223286.db2.gz PQGAJKQRBVNXDS-UHFFFAOYSA-N 0 0 219.244 2.378 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c2n[nH]cc21 ZINC000049479919 411236933 /nfs/dbraw/zinc/23/69/33/411236933.db2.gz CUPMVDIXTJVYKA-RKDXNWHRSA-N 0 0 229.283 2.466 50 0 BEAARN COc1cccc(NC(=O)N(C)C2CC2)c1 ZINC000049516461 411240479 /nfs/dbraw/zinc/24/04/79/411240479.db2.gz NJJFKBXMBMPGOP-UHFFFAOYSA-N 0 0 220.272 2.321 50 0 BEAARN Cc1c(C(N)=O)cc(-c2ccc(F)cc2)n1C ZINC000064551473 411270448 /nfs/dbraw/zinc/27/04/48/411270448.db2.gz IIPPRRPDZNZREQ-UHFFFAOYSA-N 0 0 232.258 2.239 50 0 BEAARN Cc1cc(NC(=O)Nc2ccncc2)no1 ZINC000048954420 411330272 /nfs/dbraw/zinc/33/02/72/411330272.db2.gz XSYDYBSLLIUQKA-UHFFFAOYSA-N 0 0 218.216 2.022 50 0 BEAARN C/C(=C\c1cnn2c1CCC2)c1cnccn1 ZINC000656612983 411311418 /nfs/dbraw/zinc/31/14/18/411311418.db2.gz POUBODSLWBFBLZ-JXMROGBWSA-N 0 0 226.283 2.180 50 0 BEAARN CC1(c2nc(-c3cccnc3)no2)CCOCC1 ZINC000069844244 168072988 /nfs/dbraw/zinc/07/29/88/168072988.db2.gz MDVUQUNJKNXOJB-UHFFFAOYSA-N 0 0 245.282 2.200 50 0 BEAARN CC1=C(C)C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004549728 168080560 /nfs/dbraw/zinc/08/05/60/168080560.db2.gz VHJDTVPMJLLGOU-UHFFFAOYSA-N 0 0 233.242 2.031 50 0 BEAARN CC1=NN(C(N)=S)[C@@H](c2ccccc2)C1 ZINC000000270414 168134107 /nfs/dbraw/zinc/13/41/07/168134107.db2.gz LNEKCVMKUOSOPT-SNVBAGLBSA-N 0 0 219.313 2.053 50 0 BEAARN CC1=NO[C@@](C)(CNC(=O)Nc2ccccc2)C1 ZINC000064555966 168136546 /nfs/dbraw/zinc/13/65/46/168136546.db2.gz UFOHEDSVEPGCLZ-CYBMUJFWSA-N 0 0 247.298 2.363 50 0 BEAARN CC1=NO[C@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC000064555754 168136639 /nfs/dbraw/zinc/13/66/39/168136639.db2.gz DCTRFDLYRBHFIU-LBPRGKRZSA-N 0 0 246.310 2.198 50 0 BEAARN Cc1occc1-c1nnc2n1NC(C)=CS2 ZINC000008400913 168138122 /nfs/dbraw/zinc/13/81/22/168138122.db2.gz VFZQVGAKDSSGOI-UHFFFAOYSA-N 0 0 234.284 2.176 50 0 BEAARN CC1CCC(NC(=O)/C=C\c2ccnn2C)CC1 ZINC000216214243 168160267 /nfs/dbraw/zinc/16/02/67/168160267.db2.gz YCJVKFVJWQVMMD-FPLPWBNLSA-N 0 0 247.342 2.128 50 0 BEAARN CC1CCC(NC(=O)c2ccccn2)CC1 ZINC000021876502 168163224 /nfs/dbraw/zinc/16/32/24/168163224.db2.gz YIACAZSCPGHFHM-UHFFFAOYSA-N 0 0 218.300 2.390 50 0 BEAARN CCC(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000003448149 168211579 /nfs/dbraw/zinc/21/15/79/168211579.db2.gz LEKAKTWSZGNHSZ-UHFFFAOYSA-N 0 0 248.326 2.110 50 0 BEAARN CCC(=O)N1CCCn2c3ccccc3nc21 ZINC000000292901 168220282 /nfs/dbraw/zinc/22/02/82/168220282.db2.gz ZNEHTISZFFFCGE-UHFFFAOYSA-N 0 0 229.283 2.183 50 0 BEAARN CCC(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000041395308 168221811 /nfs/dbraw/zinc/22/18/11/168221811.db2.gz WQWXLLDIFCHWIN-CYBMUJFWSA-N 0 0 233.311 2.305 50 0 BEAARN CCC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421356 168226399 /nfs/dbraw/zinc/22/63/99/168226399.db2.gz JXAZHVIHWHSOHA-DGCLKSJQSA-N 0 0 233.311 2.385 50 0 BEAARN CCC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000041421352 168226893 /nfs/dbraw/zinc/22/68/93/168226893.db2.gz JXAZHVIHWHSOHA-YPMHNXCESA-N 0 0 233.311 2.385 50 0 BEAARN CCC(=O)NCCCc1nc2ccccc2[nH]1 ZINC000002601799 168228227 /nfs/dbraw/zinc/22/82/27/168228227.db2.gz VYPXOJGAZPXWOJ-UHFFFAOYSA-N 0 0 231.299 2.022 50 0 BEAARN CCC(=O)NCCCc1ccc(OC)cc1 ZINC000013755751 168228269 /nfs/dbraw/zinc/22/82/69/168228269.db2.gz YWIQWUVBKMVHCK-UHFFFAOYSA-N 0 0 221.300 2.154 50 0 BEAARN CCC(=O)NCCc1nc2ccccc2n1CC ZINC000000200976 168229679 /nfs/dbraw/zinc/22/96/79/168229679.db2.gz ABCHZURGHHRXLB-UHFFFAOYSA-N 0 0 245.326 2.125 50 0 BEAARN CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000006263695 168236645 /nfs/dbraw/zinc/23/66/45/168236645.db2.gz LTVIPHRKFGSEGC-VIFPVBQESA-N 0 0 235.283 2.045 50 0 BEAARN CCC(=O)N[C@H](C)c1ccccc1OC ZINC000049940557 168239264 /nfs/dbraw/zinc/23/92/64/168239264.db2.gz SNGIFPOGMAENKV-SECBINFHSA-N 0 0 207.273 2.282 50 0 BEAARN CCC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000032843434 168239819 /nfs/dbraw/zinc/23/98/19/168239819.db2.gz RQDKAYWTNPUQIT-CYBMUJFWSA-N 0 0 243.310 2.036 50 0 BEAARN CCC(=O)Nc1c2nsnc2ccc1C ZINC000000373631 168241170 /nfs/dbraw/zinc/24/11/70/168241170.db2.gz DZUZDQOMMILYAW-UHFFFAOYSA-N 0 0 221.285 2.348 50 0 BEAARN CCC(=O)N[C@H]1CCc2cccc(OC)c2C1 ZINC000003995801 168241358 /nfs/dbraw/zinc/24/13/58/168241358.db2.gz RVIGBTUDFAGRTQ-NSHDSACASA-N 0 0 233.311 2.079 50 0 in-vitro BEAARN CCC(=O)Nc1c(C)nc(N2CCCC2)nc1C ZINC000096098541 168241817 /nfs/dbraw/zinc/24/18/17/168241817.db2.gz NRLFHLLLJTWQOH-UHFFFAOYSA-N 0 0 248.330 2.042 50 0 BEAARN CCC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000060391474 168242446 /nfs/dbraw/zinc/24/24/46/168242446.db2.gz YMYOLATXOCNRJC-UHFFFAOYSA-N 0 0 241.674 2.475 50 0 BEAARN CCC(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000057280506 168245138 /nfs/dbraw/zinc/24/51/38/168245138.db2.gz IJEHKYQCFXUCLC-UHFFFAOYSA-N 0 0 246.310 2.289 50 0 BEAARN CCC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000009230794 168245872 /nfs/dbraw/zinc/24/58/72/168245872.db2.gz XDELDJDVYXEYQA-UHFFFAOYSA-N 0 0 232.283 2.384 50 0 BEAARN CCC(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000028228775 168247581 /nfs/dbraw/zinc/24/75/81/168247581.db2.gz PEDVMCOFSYFDBI-UHFFFAOYSA-N 0 0 247.273 2.419 50 0 BEAARN CCC(=O)Nc1cnc(N2CCCCCC2)nc1 ZINC000064542900 168247598 /nfs/dbraw/zinc/24/75/98/168247598.db2.gz MAXBSCFWPLDOMA-UHFFFAOYSA-N 0 0 248.330 2.206 50 0 BEAARN CCC(=O)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000004329691 168247978 /nfs/dbraw/zinc/24/79/78/168247978.db2.gz IBPAOTRGZCMKPL-UHFFFAOYSA-N 0 0 235.218 2.224 50 0 BEAARN CCC(=O)Nc1nonc1-c1ccc(OC)cc1 ZINC000005450851 168248464 /nfs/dbraw/zinc/24/84/64/168248464.db2.gz YHWSJNUQINFECJ-UHFFFAOYSA-N 0 0 247.254 2.094 50 0 BEAARN CCC(=O)c1c(NC(C)C)cc(C)oc1=O ZINC000100182456 168253412 /nfs/dbraw/zinc/25/34/12/168253412.db2.gz YZTGKUZSXZUKQP-UHFFFAOYSA-N 0 0 223.272 2.361 50 0 BEAARN CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000005296873 168257643 /nfs/dbraw/zinc/25/76/43/168257643.db2.gz WTSBSCIGLWOZGU-UHFFFAOYSA-N 0 0 206.241 2.441 50 0 BEAARN CCC(=O)n1oc(=O)cc1-c1ccccc1 ZINC000001405322 168259051 /nfs/dbraw/zinc/25/90/51/168259051.db2.gz RCKPLIWGKWTSES-UHFFFAOYSA-N 0 0 217.224 2.159 50 0 BEAARN CCC(C)(C)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000066440794 168268497 /nfs/dbraw/zinc/26/84/97/168268497.db2.gz RWLQXMWOLWYEGL-UHFFFAOYSA-N 0 0 248.326 2.469 50 0 BEAARN CCC(C)(C)NC(=O)c1ccc(N)cc1 ZINC000021953971 168296074 /nfs/dbraw/zinc/29/60/74/168296074.db2.gz OPSBQKCDEPIXJJ-UHFFFAOYSA-N 0 0 206.289 2.187 50 0 BEAARN CCC(C)(C)c1nnc(NC(C)=O)s1 ZINC000009190859 168307756 /nfs/dbraw/zinc/30/77/56/168307756.db2.gz ZVNWUHWTOKWODC-UHFFFAOYSA-N 0 0 213.306 2.184 50 0 BEAARN CC[N@@H+]1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072433466 170010060 /nfs/dbraw/zinc/01/00/60/170010060.db2.gz VNNHWOSJUQFCKJ-LBPRGKRZSA-N 0 0 233.311 2.269 50 0 BEAARN CCN1CC[C@@H]([C@](O)(CC)c2ccccc2)C1=O ZINC000071773748 170014699 /nfs/dbraw/zinc/01/46/99/170014699.db2.gz OIDPGAMWDJEUCU-HIFRSBDPSA-N 0 0 247.338 2.153 50 0 BEAARN CCN1CNC(=S)N(Cc2ccccc2)C1 ZINC000020171813 170026762 /nfs/dbraw/zinc/02/67/62/170026762.db2.gz CEOWFRFECJRZCP-UHFFFAOYSA-N 0 0 235.356 2.025 50 0 BEAARN CCNC(=O)CCc1c[nH]c2ccccc12 ZINC000012910342 170054409 /nfs/dbraw/zinc/05/44/09/170054409.db2.gz USRNRKFLZZQHJM-UHFFFAOYSA-N 0 0 216.284 2.237 50 0 BEAARN CCNC(=O)CNc1cc(Cl)ccc1C ZINC000009315335 170066666 /nfs/dbraw/zinc/06/66/66/170066666.db2.gz VJCIRHICPYCCIU-UHFFFAOYSA-N 0 0 226.707 2.196 50 0 BEAARN CCNC(=O)CSCc1ccccc1C ZINC000041366069 170068203 /nfs/dbraw/zinc/06/82/03/170068203.db2.gz GTZWJPUISPAGNI-UHFFFAOYSA-N 0 0 223.341 2.364 50 0 BEAARN CCNC(=O)CSCc1ccc(C)cc1 ZINC000000443901 170068338 /nfs/dbraw/zinc/06/83/38/170068338.db2.gz GKFAHJXXJSMRNS-UHFFFAOYSA-N 0 0 223.341 2.364 50 0 BEAARN CCNC(=O)N(C)Cc1ccc(CC)cc1 ZINC000057573351 170072073 /nfs/dbraw/zinc/07/20/73/170072073.db2.gz FFRRBZXYXWCBQS-UHFFFAOYSA-N 0 0 220.316 2.410 50 0 BEAARN CCNC(=O)N(C)[C@H](c1cccnc1)C(C)C ZINC000078403016 170072165 /nfs/dbraw/zinc/07/21/65/170072165.db2.gz LNLQAYXESCOTBZ-LBPRGKRZSA-N 0 0 235.331 2.440 50 0 BEAARN CCNC(=O)N[C@@H]1C[C@@H]1c1ccc(C)c(C)c1 ZINC000058163630 170083047 /nfs/dbraw/zinc/08/30/47/170083047.db2.gz PQLSWSQCWAVIJX-CHWSQXEVSA-N 0 0 232.327 2.478 50 0 BEAARN CCNC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000004002107 170084301 /nfs/dbraw/zinc/08/43/01/170084301.db2.gz MEBAJINUEYAWLV-UHFFFAOYSA-N 0 0 228.679 2.490 50 0 BEAARN CCNC(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000048257237 170084334 /nfs/dbraw/zinc/08/43/34/170084334.db2.gz OGHSLLORDUZYFM-UHFFFAOYSA-N 0 0 249.314 2.485 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C ZINC000008041335 170089699 /nfs/dbraw/zinc/08/96/99/170089699.db2.gz WBRSUMUJJQRLDH-LLVKDONJSA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000013710098 170089841 /nfs/dbraw/zinc/08/98/41/170089841.db2.gz QQTAMSYNLHJDOC-LLVKDONJSA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000014397141 170090201 /nfs/dbraw/zinc/09/02/01/170090201.db2.gz KYHNORNTJFAJGL-MRVPVSSYSA-N 0 0 227.691 2.243 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000008049201 170090222 /nfs/dbraw/zinc/09/02/22/170090222.db2.gz AMHOTPAVHUHVIT-LLVKDONJSA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000044006986 170100794 /nfs/dbraw/zinc/10/07/94/170100794.db2.gz BCVBKDVNZBIQDH-UHFFFAOYSA-N 0 0 202.257 2.226 50 0 BEAARN CCNC(=O)c1ccc(Br)cc1 ZINC000005456500 170100891 /nfs/dbraw/zinc/10/08/91/170100891.db2.gz JXFKDGIMTQHLIT-UHFFFAOYSA-N 0 0 228.089 2.199 50 0 BEAARN CCNC(=O)c1ccc(F)cc1Br ZINC000019475074 170102249 /nfs/dbraw/zinc/10/22/49/170102249.db2.gz VFQSKPXQIUULPA-UHFFFAOYSA-N 0 0 246.079 2.338 50 0 BEAARN CCNc1cc(NC(C)=O)ccc1OC ZINC000005139745 170172868 /nfs/dbraw/zinc/17/28/68/170172868.db2.gz XTKBLPKQFBQFTC-UHFFFAOYSA-N 0 0 208.261 2.085 50 0 BEAARN CCNc1nc(-c2ccccc2F)no1 ZINC000021922306 170175575 /nfs/dbraw/zinc/17/55/75/170175575.db2.gz QJWBNBZKTCDZIB-UHFFFAOYSA-N 0 0 207.208 2.308 50 0 BEAARN CCOC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000001624219 170184042 /nfs/dbraw/zinc/18/40/42/170184042.db2.gz JBPNCPVTNOZJMQ-UHFFFAOYSA-N 0 0 241.674 2.150 50 0 BEAARN CCOC(=O)C(=O)Nc1c(C)cccc1CC ZINC000001624099 170184186 /nfs/dbraw/zinc/18/41/86/170184186.db2.gz OUTRYSQLLHWMPD-UHFFFAOYSA-N 0 0 235.283 2.059 50 0 BEAARN CCOC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002767154 170184285 /nfs/dbraw/zinc/18/42/85/170184285.db2.gz JKPZMHQRKVAICD-UHFFFAOYSA-N 0 0 241.674 2.150 50 0 BEAARN CCOC(=O)C(=O)c1ccc(F)cc1Cl ZINC000085650764 170184907 /nfs/dbraw/zinc/18/49/07/170184907.db2.gz MHWHHBWHCGGLHG-UHFFFAOYSA-N 0 0 230.622 2.225 50 0 BEAARN CCOC(=O)C(=O)c1cc(C)cc(C)c1 ZINC000002574394 170185045 /nfs/dbraw/zinc/18/50/45/170185045.db2.gz FSLQIQOXXSVLCU-UHFFFAOYSA-N 0 0 206.241 2.049 50 0 BEAARN CCOC(=O)C(F)(F)c1ccccc1F ZINC000052887823 170188847 /nfs/dbraw/zinc/18/88/47/170188847.db2.gz VTTGEZSPJKXKAF-UHFFFAOYSA-N 0 0 218.174 2.481 50 0 BEAARN CCOC(=O)C1=C(C)Oc2ccccc2O1 ZINC000000394325 170191230 /nfs/dbraw/zinc/19/12/30/170191230.db2.gz YHFATTFHQDXGTQ-UHFFFAOYSA-N 0 0 220.224 2.252 50 0 BEAARN CCOC(=O)C1(c2ccncc2)CCC(=O)CC1 ZINC000066055159 170191271 /nfs/dbraw/zinc/19/12/71/170191271.db2.gz SOQPDLKNYMTIBJ-UHFFFAOYSA-N 0 0 247.294 2.026 50 0 BEAARN CCOC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000072191307 170197858 /nfs/dbraw/zinc/19/78/58/170197858.db2.gz MXMKNMCSDWUFNV-UHFFFAOYSA-N 0 0 245.319 2.243 50 0 BEAARN CCOC(=O)CCSc1ccccn1 ZINC000000055269 170210720 /nfs/dbraw/zinc/21/07/20/170210720.db2.gz IVAPRNFKTHBHCJ-UHFFFAOYSA-N 0 0 211.286 2.127 50 0 BEAARN CCOC(=O)CCP(=O)(CC)CC ZINC000003165269 170211260 /nfs/dbraw/zinc/21/12/60/170211260.db2.gz ATBFRFVFAIVGGJ-UHFFFAOYSA-N 0 0 206.222 2.343 50 0 BEAARN CCOC(=O)CCc1cc(OC)cc(OC)c1 ZINC000077011496 170211449 /nfs/dbraw/zinc/21/14/49/170211449.db2.gz NKOHJJUVRVNYPI-UHFFFAOYSA-N 0 0 238.283 2.200 50 0 BEAARN CCOC(=O)CCc1cccc2c1CCC2=O ZINC000000213936 170212529 /nfs/dbraw/zinc/21/25/29/170212529.db2.gz MIJJCLOHRSVEJA-UHFFFAOYSA-N 0 0 232.279 2.311 50 0 BEAARN CCOC(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000050266843 170220056 /nfs/dbraw/zinc/22/00/56/170220056.db2.gz DVJWCHSKTBDJOO-CYBMUJFWSA-N 0 0 233.311 2.039 50 0 BEAARN CCOC(=O)CNc1nc(C)cc(C2CCC2)n1 ZINC000071589486 170227839 /nfs/dbraw/zinc/22/78/39/170227839.db2.gz YVJVCEDOQMTLFW-UHFFFAOYSA-N 0 0 249.314 2.028 50 0 BEAARN CCOC(=O)C[C@H](C)c1ccc(O)cc1 ZINC000146332324 170232873 /nfs/dbraw/zinc/23/28/73/170232873.db2.gz VRDBGARLKWLHGR-VIFPVBQESA-N 0 0 208.257 2.449 50 0 BEAARN CCOC(=O)Cc1ccc(F)c(F)c1OC ZINC000261238944 170234932 /nfs/dbraw/zinc/23/49/32/170234932.db2.gz YXMRDCLIESWIDS-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1cc(F)ccc1F ZINC000000161642 170234960 /nfs/dbraw/zinc/23/49/60/170234960.db2.gz BURCDXBMXLYODS-UHFFFAOYSA-N 0 0 200.184 2.070 50 0 BEAARN CCOC(=O)N(C)CCOc1ccc(F)cc1 ZINC000070247593 170237932 /nfs/dbraw/zinc/23/79/32/170237932.db2.gz DYSUOCZSZQWPLO-UHFFFAOYSA-N 0 0 241.262 2.293 50 0 BEAARN CCOC(=O)NC(=S)Nc1ccc(C)cc1 ZINC000000351732 170241195 /nfs/dbraw/zinc/24/11/95/170241195.db2.gz HDYLCXZLIUBLFM-UHFFFAOYSA-N 0 0 238.312 2.438 50 0 BEAARN CCOC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000070265876 170243427 /nfs/dbraw/zinc/24/34/27/170243427.db2.gz XVOLBJCYNFCTEZ-MNOVXSKESA-N 0 0 205.257 2.289 50 0 BEAARN CCOC(=O)OCC(F)(F)C(F)F ZINC000118580748 170244692 /nfs/dbraw/zinc/24/46/92/170244692.db2.gz DDRDJHHMIJOBDV-UHFFFAOYSA-N 0 0 204.119 2.060 50 0 BEAARN CCOC(=O)[C@@H](C[Si](C)(C)C)C(C)=O ZINC000169795084 170251546 /nfs/dbraw/zinc/25/15/46/170251546.db2.gz GITWIISZAZCPJE-VIFPVBQESA-N 0 0 216.353 2.093 50 0 BEAARN CCOC(=O)[C@@H](NC(C)C)c1ccccc1 ZINC000037382449 170254722 /nfs/dbraw/zinc/25/47/22/170254722.db2.gz WZGRUDMGVCNMSW-LBPRGKRZSA-N 0 0 221.300 2.289 50 0 BEAARN CCOC(=O)[C@@H](O)CCC1CCCCC1 ZINC000002384202 170255623 /nfs/dbraw/zinc/25/56/23/170255623.db2.gz QBVDXURIWZBADP-NSHDSACASA-N 0 0 214.305 2.271 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@@H](C2CCCCC2)N1 ZINC000098072744 170259742 /nfs/dbraw/zinc/25/97/42/170259742.db2.gz JCJZOMFERPNRMY-QWRGUYRKSA-N 0 0 243.372 2.161 50 0 BEAARN CCOC(=O)[C@@]12CCc3ccccc3[C@@H]1O2 ZINC000263623698 170263533 /nfs/dbraw/zinc/26/35/33/170263533.db2.gz JVOYMILFQDYZLC-WCQYABFASA-N 0 0 218.252 2.006 50 0 BEAARN CCOC(=O)C1=C(O)[C@@H](c2ccccc2)CC1 ZINC000075629567 170281186 /nfs/dbraw/zinc/28/11/86/170281186.db2.gz LRSQKGAKYUHQNQ-NEPJUHHUSA-N 0 0 232.279 2.312 50 0 BEAARN CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000000121453 170286347 /nfs/dbraw/zinc/28/63/47/170286347.db2.gz ALRDOFWBPAZOCW-UHFFFAOYSA-N 0 0 209.245 2.011 50 0 BEAARN CCOC(=O)c1[nH]c(C)c2c1CCCC2 ZINC000025724693 170286554 /nfs/dbraw/zinc/28/65/54/170286554.db2.gz LPIWPKRIDUUDJR-UHFFFAOYSA-N 0 0 207.273 2.379 50 0 BEAARN CCOC(=O)c1c(C)[nH]c2ccc(O)cc21 ZINC000000034675 170287823 /nfs/dbraw/zinc/28/78/23/170287823.db2.gz BSNHKSUAAMJXBB-UHFFFAOYSA-N 0 0 219.240 2.359 50 0 BEAARN CCOC(=O)c1c(N)scc1C1CC1 ZINC000000035083 170288161 /nfs/dbraw/zinc/28/81/61/170288161.db2.gz OUDJEFKPUDVQBS-UHFFFAOYSA-N 0 0 211.286 2.384 50 0 BEAARN CCOC(=O)c1c(C)c(C)sc1NC(N)=O ZINC000000033483 170288997 /nfs/dbraw/zinc/28/89/97/170288997.db2.gz OHKILCHDDOPSFK-UHFFFAOYSA-N 0 0 242.300 2.032 50 0 BEAARN CCOC(=O)c1c(N)sc2c1CCCC2 ZINC000000035815 170289041 /nfs/dbraw/zinc/28/90/41/170289041.db2.gz CDYVTVLXEWMCHU-UHFFFAOYSA-N 0 0 225.313 2.386 50 0 BEAARN CCOC(=O)c1c(N)cccc1Br ZINC000082046779 170289407 /nfs/dbraw/zinc/28/94/07/170289407.db2.gz RNWLZUKQXXYCQZ-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1cc(-c2cccs2)n(C)n1 ZINC000005177758 170290888 /nfs/dbraw/zinc/29/08/88/170290888.db2.gz KIYMTNJEKXVPSQ-UHFFFAOYSA-N 0 0 236.296 2.325 50 0 BEAARN CCOC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000000156194 170294115 /nfs/dbraw/zinc/29/41/15/170294115.db2.gz RBUSDPZPBBBAKR-UHFFFAOYSA-N 0 0 249.266 2.362 50 0 BEAARN CCOC(=O)c1ccc(-c2cc(C)no2)[nH]1 ZINC000000387417 170294861 /nfs/dbraw/zinc/29/48/61/170294861.db2.gz SVDRCCNWQAEOFZ-UHFFFAOYSA-N 0 0 220.228 2.155 50 0 BEAARN CCOC(=O)c1ccc(-c2noc(C)n2)cc1 ZINC000004200672 170294866 /nfs/dbraw/zinc/29/48/66/170294866.db2.gz QGJFLYBPBMSNOC-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(=O)c1ccc(C(=O)CC)cc1 ZINC000002580259 170295294 /nfs/dbraw/zinc/29/52/94/170295294.db2.gz MOQVUOSKSFFWLM-UHFFFAOYSA-N 0 0 206.241 2.456 50 0 BEAARN CCOC(=O)c1ccc(Cl)cc1NC(C)=O ZINC000019872708 170296113 /nfs/dbraw/zinc/29/61/13/170296113.db2.gz BHHDROIZYOYICI-UHFFFAOYSA-N 0 0 241.674 2.475 50 0 BEAARN CCOC(=O)c1ccc(O)cc1Cl ZINC000044200581 170296968 /nfs/dbraw/zinc/29/69/68/170296968.db2.gz SXPALFRWFJQPFQ-UHFFFAOYSA-N 0 0 200.621 2.222 50 0 BEAARN CCOC(=O)c1ccc2nc(N)sc2c1 ZINC000000050705 170298350 /nfs/dbraw/zinc/29/83/50/170298350.db2.gz VYJSGJXWKSDUSG-UHFFFAOYSA-N 0 0 222.269 2.055 50 0 in-vitro BEAARN CCOC(=O)c1cccc(NC(=O)CC)c1 ZINC000000350351 170298450 /nfs/dbraw/zinc/29/84/50/170298450.db2.gz PRKVHVGYCSCFRL-UHFFFAOYSA-N 0 0 221.256 2.212 50 0 BEAARN CCOC(=O)c1ccc2ncnc(Cl)c2c1 ZINC000035269744 170298712 /nfs/dbraw/zinc/29/87/12/170298712.db2.gz ADKCJHRCXSXELJ-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1cccc(C)c1NC(C)=O ZINC000013007595 170298822 /nfs/dbraw/zinc/29/88/22/170298822.db2.gz GVORFQIGZKZATQ-UHFFFAOYSA-N 0 0 221.256 2.130 50 0 BEAARN CCOC(=O)c1cccc2cccnc21 ZINC000005858324 170299196 /nfs/dbraw/zinc/29/91/96/170299196.db2.gz WTLGTEPKKMWKPX-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1ccccc1-n1cccn1 ZINC000034627587 170299360 /nfs/dbraw/zinc/29/93/60/170299360.db2.gz YVKARBPILHRMPP-UHFFFAOYSA-N 0 0 216.240 2.049 50 0 BEAARN CCOC(=O)c1cn(-c2ccccc2)nc1C ZINC000066324465 170300669 /nfs/dbraw/zinc/30/06/69/170300669.db2.gz HUSYDQBISBQGTN-UHFFFAOYSA-N 0 0 230.267 2.357 50 0 BEAARN CCOC(=O)c1ccnc(Br)c1 ZINC000014628524 170300804 /nfs/dbraw/zinc/30/08/04/170300804.db2.gz SBNQZJXLQLUESH-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1cn2ccc(Cl)cc2n1 ZINC000040448034 170300847 /nfs/dbraw/zinc/30/08/47/170300847.db2.gz ZGSKNRFGZMYUGO-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1ccnc(C(F)(F)F)c1 ZINC000047202980 170300926 /nfs/dbraw/zinc/30/09/26/170300926.db2.gz DDCHYZRDWLPNRF-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1cnc2c(cccc2OC)c1 ZINC000004761066 170302371 /nfs/dbraw/zinc/30/23/71/170302371.db2.gz STDCOMMLKDCAGI-UHFFFAOYSA-N 0 0 231.251 2.420 50 0 BEAARN CCOC(=O)c1cnc2ccccc2c1N(C)C ZINC000040162877 170302425 /nfs/dbraw/zinc/30/24/25/170302425.db2.gz YDUVHEKZYACIHR-UHFFFAOYSA-N 0 0 244.294 2.478 50 0 BEAARN CCOC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000002532521 170303142 /nfs/dbraw/zinc/30/31/42/170303142.db2.gz JYHUUEYONFRPMV-UHFFFAOYSA-N 0 0 248.257 2.497 50 0 BEAARN CCOC(=O)c1cnn(C2CCCCC2)c1N ZINC000001604598 170303966 /nfs/dbraw/zinc/30/39/66/170303966.db2.gz NQLJJSMRVILYQD-UHFFFAOYSA-N 0 0 237.303 2.147 50 0 BEAARN CCOC(=O)c1coc(-c2ccc(N)cc2)n1 ZINC000002391929 170304051 /nfs/dbraw/zinc/30/40/51/170304051.db2.gz YQVSEWFNEJKQNV-UHFFFAOYSA-N 0 0 232.239 2.101 50 0 BEAARN CCOC(=O)c1nc(Cl)c2ccccc2n1 ZINC000004106910 170306907 /nfs/dbraw/zinc/30/69/07/170306907.db2.gz ZMAJSODACDWUAS-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1nc2ccc(C)cn2c1C ZINC000169748294 170307389 /nfs/dbraw/zinc/30/73/89/170307389.db2.gz SOBNLPXYIXURNV-UHFFFAOYSA-N 0 0 218.256 2.128 50 0 BEAARN CCOC(=O)c1nnc(CCc2ccccc2)o1 ZINC000014988031 170309769 /nfs/dbraw/zinc/30/97/69/170309769.db2.gz AULSQVDXJLAZKE-UHFFFAOYSA-N 0 0 246.266 2.032 50 0 BEAARN CCOC(=O)n1c(=O)oc2ccc(Cl)cc21 ZINC000000035201 170311744 /nfs/dbraw/zinc/31/17/44/170311744.db2.gz PXGIZDAJJVNROD-UHFFFAOYSA-N 0 0 241.630 2.253 50 0 BEAARN CCOCC(=O)N(C)c1cccc2cccnc21 ZINC000241644337 170338655 /nfs/dbraw/zinc/33/86/55/170338655.db2.gz PPZPZHRSLIQCKB-UHFFFAOYSA-N 0 0 244.294 2.234 50 0 BEAARN CCOCC(=O)N(CC)Cc1ccccc1 ZINC000002734744 170338723 /nfs/dbraw/zinc/33/87/23/170338723.db2.gz RPAPIVZEPPLTAH-UHFFFAOYSA-N 0 0 221.300 2.072 50 0 BEAARN CCOCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000032819546 170340416 /nfs/dbraw/zinc/34/04/16/170340416.db2.gz FPCXYDXSFSIYAL-NEPJUHHUSA-N 0 0 225.332 2.204 50 0 BEAARN CCOCC(=O)N1c2ccccc2C[C@H]1C ZINC000009095484 170342456 /nfs/dbraw/zinc/34/24/56/170342456.db2.gz FHMYYYAGGYHQER-SNVBAGLBSA-N 0 0 219.284 2.001 50 0 BEAARN CCOCC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000072529831 170348389 /nfs/dbraw/zinc/34/83/89/170348389.db2.gz GIFWSDZKHYHDRS-UHFFFAOYSA-N 0 0 249.097 2.363 50 0 BEAARN CCOCC(=O)Nc1cc(Cl)ccc1O ZINC000002069622 170348471 /nfs/dbraw/zinc/34/84/71/170348471.db2.gz MRLPPJXJQUBJJG-UHFFFAOYSA-N 0 0 229.663 2.021 50 0 BEAARN CCOCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000097055463 170348707 /nfs/dbraw/zinc/34/87/07/170348707.db2.gz ASAYBBAIOLSNKU-XHDPSFHLSA-N 0 0 247.338 2.381 50 0 BEAARN CCOCCC(=O)N1c2ccccc2C[C@H]1C ZINC000016527184 170359932 /nfs/dbraw/zinc/35/99/32/170359932.db2.gz JDLHNQNCULQGHT-LLVKDONJSA-N 0 0 233.311 2.391 50 0 BEAARN CCOCCCNC(=O)C1CCCCC1 ZINC000013716931 170376068 /nfs/dbraw/zinc/37/60/68/170376068.db2.gz XLNBEIUQKFRWRF-UHFFFAOYSA-N 0 0 213.321 2.110 50 0 BEAARN CCOCCCNC(=O)CC1CCCC1 ZINC000044867132 170376253 /nfs/dbraw/zinc/37/62/53/170376253.db2.gz QZFHFBIWOSHACK-UHFFFAOYSA-N 0 0 213.321 2.110 50 0 BEAARN CCOCCCn1ccnc1-c1cccnc1 ZINC000067727418 170385963 /nfs/dbraw/zinc/38/59/63/170385963.db2.gz MFZWNSOWMZCWID-UHFFFAOYSA-N 0 0 231.299 2.372 50 0 BEAARN CCO[C@H](C)c1nccn1C[C@@H]1CCCO1 ZINC000097378333 170502381 /nfs/dbraw/zinc/50/23/81/170502381.db2.gz GIEUHGHMXAXHPG-MNOVXSKESA-N 0 0 224.304 2.160 50 0 BEAARN CCO[P@]1(=O)OC(C)(C)C[C@]1(C)O ZINC000002007425 170513107 /nfs/dbraw/zinc/51/31/07/170513107.db2.gz GTQYAZQCUFLOCL-OQPBUACISA-N 0 0 208.194 2.123 50 0 BEAARN CCOc1ccc(C(=O)c2cnccn2)cc1 ZINC000032004927 170538642 /nfs/dbraw/zinc/53/86/42/170538642.db2.gz JWAPKZNTAYCTSM-UHFFFAOYSA-N 0 0 228.251 2.106 50 0 BEAARN CCOc1ccc(N)cc1Br ZINC000021981684 170549539 /nfs/dbraw/zinc/54/95/39/170549539.db2.gz GNTRARDJZSIQOK-UHFFFAOYSA-N 0 0 216.078 2.430 50 0 BEAARN CCOc1ccc(NC(=O)c2csnn2)cc1 ZINC000009250913 170551642 /nfs/dbraw/zinc/55/16/42/170551642.db2.gz RBXVBKZXLLXQOC-UHFFFAOYSA-N 0 0 249.295 2.189 50 0 BEAARN CCOc1ccc2c(c1)C(NC(C)=O)C(=O)N2 ZINC000000986077 170565956 /nfs/dbraw/zinc/56/59/56/170565956.db2.gz VSVYFDVPMMFQLH-UHFFFAOYSA-N 0 0 234.255 2.231 50 0 BEAARN CCOc1cccc(Cn2cc(C)cn2)n1 ZINC000097085696 170580815 /nfs/dbraw/zinc/58/08/15/170580815.db2.gz DCVXTGHLNHQUAU-UHFFFAOYSA-N 0 0 217.272 2.034 50 0 BEAARN CCOc1ccccc1C(=O)O[C@H]1CCOC1 ZINC000107017119 170590796 /nfs/dbraw/zinc/59/07/96/170590796.db2.gz WYQGHJDTIADXAZ-JTQLQIEISA-N 0 0 236.267 2.031 50 0 BEAARN CCOc1ccccc1N(C)Cc1cc[nH]n1 ZINC000097103993 170594520 /nfs/dbraw/zinc/59/45/20/170594520.db2.gz NFDXWLPVPLCDEA-UHFFFAOYSA-N 0 0 231.299 2.445 50 0 BEAARN CCOc1ncccc1C(=O)NCc1ccco1 ZINC000009051258 170604496 /nfs/dbraw/zinc/60/44/96/170604496.db2.gz LIPKBSLKWGQEJL-UHFFFAOYSA-N 0 0 246.266 2.003 50 0 BEAARN CCS(=O)(=O)N[C@H](C)c1ccccc1Cl ZINC000048903095 170620042 /nfs/dbraw/zinc/62/00/42/170620042.db2.gz BYEIPNBBXXIZCB-MRVPVSSYSA-N 0 0 247.747 2.340 50 0 BEAARN CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000000075356 170623211 /nfs/dbraw/zinc/62/32/11/170623211.db2.gz FVSFDDWOQCUYKZ-UHFFFAOYSA-N 0 0 204.678 2.134 50 0 BEAARN CCSc1ncn(-c2ccccc2)n1 ZINC000007069087 170658038 /nfs/dbraw/zinc/65/80/38/170658038.db2.gz ZLRGVSPQXLTZKM-UHFFFAOYSA-N 0 0 205.286 2.379 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1c[nH]c2ncccc12 ZINC000075495140 170741548 /nfs/dbraw/zinc/74/15/48/170741548.db2.gz HXMCWEKBAJLSPF-SECBINFHSA-N 0 0 231.299 2.020 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000012588322 170755046 /nfs/dbraw/zinc/75/50/46/170755046.db2.gz YGAOJDIAWNHGJP-SSDOTTSWSA-N 0 0 249.282 2.042 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000071840234 411917117 /nfs/dbraw/zinc/91/71/17/411917117.db2.gz WHVCWCZMWYWXEO-BNOWGMLFSA-N 0 0 245.322 2.243 50 0 BEAARN CC[C@@H](Oc1ccccc1)C(=O)NC(C)C ZINC000000441447 170946778 /nfs/dbraw/zinc/94/67/78/170946778.db2.gz RBMMSFFNQKWFQF-GFCCVEGCSA-N 0 0 221.300 2.369 50 0 BEAARN CC[C@H](c1nnc(N)o1)c1ccccc1 ZINC000019398966 170955612 /nfs/dbraw/zinc/95/56/12/170955612.db2.gz USVJJRSFMVOUOL-VIFPVBQESA-N 0 0 203.245 2.194 50 0 BEAARN CC[C@@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000040067679 171065101 /nfs/dbraw/zinc/06/51/01/171065101.db2.gz TYPOAFXHUMEAEL-CYBMUJFWSA-N 0 0 248.326 2.007 50 0 BEAARN CC[C@@]1(Cc2ccccc2)SC(=N)NC1=O ZINC000004582498 171213375 /nfs/dbraw/zinc/21/33/75/171213375.db2.gz OIPNAGKHKUTBDV-LBPRGKRZSA-N 0 0 234.324 2.176 50 0 BEAARN CC[C@H](C)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000055276408 171251565 /nfs/dbraw/zinc/25/15/65/171251565.db2.gz UESRQGCIGBGURF-WDEREUQCSA-N 0 0 238.331 2.045 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023055792 171255789 /nfs/dbraw/zinc/25/57/89/171255789.db2.gz FAGFCRKWFOEFIR-VIFPVBQESA-N 0 0 235.283 2.442 50 0 BEAARN CC[C@H](C)Cc1nc(-c2ccc(C)nn2)no1 ZINC000091493095 171300297 /nfs/dbraw/zinc/30/02/97/171300297.db2.gz DQDXPVPDXCMYHG-QMMMGPOBSA-N 0 0 232.287 2.424 50 0 BEAARN CC[C@H](C)NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163088 171321621 /nfs/dbraw/zinc/32/16/21/171321621.db2.gz OGSJDLMQXSIQKS-VIFPVBQESA-N 0 0 244.294 2.265 50 0 BEAARN CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1C ZINC000002846778 171321774 /nfs/dbraw/zinc/32/17/74/171321774.db2.gz WGOJWLCXKHCNGK-NSHDSACASA-N 0 0 248.326 2.157 50 0 BEAARN CC[C@H](C)NC(=O)COc1cccc(C)c1 ZINC000010120467 171327117 /nfs/dbraw/zinc/32/71/17/171327117.db2.gz ZZZZMHNLYUSAOT-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN CC[C@H](C)NC(=O)COc1cccc(C(C)=O)c1 ZINC000002659230 171327398 /nfs/dbraw/zinc/32/73/98/171327398.db2.gz QXKGSBBBBLUGBA-JTQLQIEISA-N 0 0 249.310 2.183 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(C(C)C)on1 ZINC000002498019 171336584 /nfs/dbraw/zinc/33/65/84/171336584.db2.gz RATPFXMMXPWEFJ-QMMMGPOBSA-N 0 0 210.277 2.326 50 0 BEAARN CC[C@H](C)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000010474944 171343150 /nfs/dbraw/zinc/34/31/50/171343150.db2.gz JWFHVZIMTOCWHA-VIFPVBQESA-N 0 0 207.273 2.273 50 0 BEAARN CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCO ZINC000005925029 171351518 /nfs/dbraw/zinc/35/15/18/171351518.db2.gz QLHULAHOXSSASE-WDEREUQCSA-N 0 0 229.320 2.158 50 0 in-man BEAARN CC[C@H](C)[C@@H](C)C(=O)Nc1cnccc1CO ZINC000225567921 171360512 /nfs/dbraw/zinc/36/05/12/171360512.db2.gz CJQLBDQREONFEK-VHSXEESVSA-N 0 0 236.315 2.195 50 0 BEAARN CC[C@H](Oc1ccccc1)C(=O)NC(C)C ZINC000000441446 171591874 /nfs/dbraw/zinc/59/18/74/171591874.db2.gz RBMMSFFNQKWFQF-LBPRGKRZSA-N 0 0 221.300 2.369 50 0 BEAARN CC[C@](C)(O)CNC(=O)Nc1ccccc1F ZINC000058195875 171701631 /nfs/dbraw/zinc/70/16/31/171701631.db2.gz FGOVMOGIAASPAP-LBPRGKRZSA-N 0 0 240.278 2.108 50 0 BEAARN CCc1cc(C(=O)NCCCOC)sc1C ZINC000036396947 171753095 /nfs/dbraw/zinc/75/30/95/171753095.db2.gz DZGKTUOYCOSBAH-UHFFFAOYSA-N 0 0 241.356 2.385 50 0 BEAARN CCc1cc(CC)c(CO)c(CC)c1CO ZINC000000270910 171757168 /nfs/dbraw/zinc/75/71/68/171757168.db2.gz HYTYWMOICDSANT-UHFFFAOYSA-N 0 0 222.328 2.358 50 0 BEAARN CCc1cc2c(ncnc2NC[C@H](C)O)s1 ZINC000000549517 171775863 /nfs/dbraw/zinc/77/58/63/171775863.db2.gz JSAXMECIDORRLJ-ZETCQYMHSA-N 0 0 237.328 2.046 50 0 BEAARN CCc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1 ZINC000070459036 171777806 /nfs/dbraw/zinc/77/78/06/171777806.db2.gz MKMGHRLXGIZQFW-UHFFFAOYSA-N 0 0 239.278 2.252 50 0 BEAARN CCc1ccc(C(=O)N2CCSCC2)cc1 ZINC000049208872 171784851 /nfs/dbraw/zinc/78/48/51/171784851.db2.gz BVBHSYZVLBDHON-UHFFFAOYSA-N 0 0 235.352 2.438 50 0 BEAARN CCc1ccc(C(=O)NCc2ccco2)o1 ZINC000036393903 171786093 /nfs/dbraw/zinc/78/60/93/171786093.db2.gz NDJQIZQEPJXYHG-UHFFFAOYSA-N 0 0 219.240 2.365 50 0 BEAARN CCc1nc2nccc(-c3cccs3)n2n1 ZINC000067320732 172015622 /nfs/dbraw/zinc/01/56/22/172015622.db2.gz NAJLLXDHZTURAA-UHFFFAOYSA-N 0 0 230.296 2.415 50 0 BEAARN CCc1ncc(CNC(=O)[C@@H]2CC=CCC2)o1 ZINC000331317729 172017799 /nfs/dbraw/zinc/01/77/99/172017799.db2.gz DIGPCCOOWOYHOK-SNVBAGLBSA-N 0 0 234.299 2.210 50 0 BEAARN CCc1nnc(CN(C)Cc2ccccc2)o1 ZINC000054114913 172049228 /nfs/dbraw/zinc/04/92/28/172049228.db2.gz AKLZFERJDWFCDU-UHFFFAOYSA-N 0 0 231.299 2.264 50 0 BEAARN CCc1nnc(NC(=O)C(CC)CC)s1 ZINC000000180491 172057455 /nfs/dbraw/zinc/05/74/55/172057455.db2.gz BBGROUKQGUKOFA-UHFFFAOYSA-N 0 0 227.333 2.475 50 0 BEAARN CCc1nnc(NC(=O)[C@@H](C)CC)s1 ZINC000000364504 172058298 /nfs/dbraw/zinc/05/82/98/172058298.db2.gz WVDHUZKDNGADJF-LURJTMIESA-N 0 0 213.306 2.085 50 0 BEAARN CCc1nnc(NC(=O)c2ccoc2C)s1 ZINC000000461294 172058815 /nfs/dbraw/zinc/05/88/15/172058815.db2.gz JBHRRIOJCZNMEW-UHFFFAOYSA-N 0 0 237.284 2.254 50 0 BEAARN CCc1noc(-c2ccc(C)c(NC(N)=O)c2)n1 ZINC000079850723 172072940 /nfs/dbraw/zinc/07/29/40/172072940.db2.gz UWMFPSATUZNBAS-UHFFFAOYSA-N 0 0 246.270 2.098 50 0 BEAARN CCc1noc(C)c1-c1nn2c(C)nnc2s1 ZINC000012413123 172073635 /nfs/dbraw/zinc/07/36/35/172073635.db2.gz WSFUXNZSGORHLX-UHFFFAOYSA-N 0 0 249.299 2.020 50 0 BEAARN CCc1noc([C@@H](C)N2CCCCC2)n1 ZINC000069381226 172088582 /nfs/dbraw/zinc/08/85/82/172088582.db2.gz NFQUVZJNQCSPFL-SECBINFHSA-N 0 0 209.293 2.179 50 0 BEAARN CCc1oc(C(=O)N[C@](C)(CC)CO)cc1C ZINC000097081762 172110507 /nfs/dbraw/zinc/11/05/07/172110507.db2.gz YMUJRBMLIVMFJE-CYBMUJFWSA-N 0 0 239.315 2.041 50 0 BEAARN CCn1c(-c2ccc(O)cc2)n[nH]c1=S ZINC000005686873 172130280 /nfs/dbraw/zinc/13/02/80/172130280.db2.gz NQQIDSKODDRIGW-UHFFFAOYSA-N 0 0 221.285 2.333 50 0 BEAARN CCn1cc(C(=O)Nc2c(O)cccc2F)cn1 ZINC000096436582 172156435 /nfs/dbraw/zinc/15/64/35/172156435.db2.gz BFOWEIWXBGMJTM-UHFFFAOYSA-N 0 0 249.245 2.000 50 0 BEAARN CCn1cc(C(N)=S)c2ccccc21 ZINC000019726662 172157812 /nfs/dbraw/zinc/15/78/12/172157812.db2.gz UNXFFILTNOZNNR-UHFFFAOYSA-N 0 0 204.298 2.295 50 0 BEAARN CCn1cc(CC(=O)NC(C)C)c2cccnc21 ZINC000065155804 172158919 /nfs/dbraw/zinc/15/89/19/172158919.db2.gz VEGJRNNCCRNXEQ-UHFFFAOYSA-N 0 0 245.326 2.123 50 0 BEAARN CCn1cc(C=O)c2cc(OC)ccc21 ZINC000004413660 172159265 /nfs/dbraw/zinc/15/92/65/172159265.db2.gz BZTHZIJUZYTAJR-UHFFFAOYSA-N 0 0 203.241 2.482 50 0 BEAARN CCn1cc(CNC(=O)c2cc(C)oc2C)cn1 ZINC000028226903 172168616 /nfs/dbraw/zinc/16/86/16/172168616.db2.gz JYPJLQFUHLLXCQ-UHFFFAOYSA-N 0 0 247.298 2.043 50 0 BEAARN CCn1cc(NC(=O)NC2CCCCC2)cn1 ZINC000043644910 172181091 /nfs/dbraw/zinc/18/10/91/172181091.db2.gz DBWQAVDCWMQVPY-UHFFFAOYSA-N 0 0 236.319 2.357 50 0 BEAARN CCn1cc(OCCCSC)cn1 ZINC000162090263 172191390 /nfs/dbraw/zinc/19/13/90/172191390.db2.gz PCVHLYXGCUOREI-UHFFFAOYSA-N 0 0 200.307 2.035 50 0 BEAARN CCn1cc(NC(=O)c2ccc(F)cc2)cn1 ZINC000037501556 172184257 /nfs/dbraw/zinc/18/42/57/172184257.db2.gz OBDJLTJVFBLJIR-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN CCn1cc([C@@H](O)C(Cl)(Cl)Cl)cn1 ZINC000074934405 172194530 /nfs/dbraw/zinc/19/45/30/172194530.db2.gz RTSAZLRUGDHKFO-ZCFIWIBFSA-N 0 0 243.521 2.307 50 0 BEAARN CCn1ccc(NC(=O)c2cccs2)n1 ZINC000027929698 172200773 /nfs/dbraw/zinc/20/07/73/172200773.db2.gz NPEUORYVTZKUCG-UHFFFAOYSA-N 0 0 221.285 2.217 50 0 BEAARN CCn1ccc(NC(=O)c2ccccc2F)n1 ZINC000064555699 172201437 /nfs/dbraw/zinc/20/14/37/172201437.db2.gz PBSVNCWJYKVKLV-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN CCn1nc(C)c2nc(C)nc(N3CCCC3)c21 ZINC000057312605 172249277 /nfs/dbraw/zinc/24/92/77/172249277.db2.gz SIEOCAJNOLNLTO-UHFFFAOYSA-N 0 0 245.330 2.063 50 0 BEAARN CCn1nc(C)c2c1[nH]c(=O)cc2C(F)(F)F ZINC000002730739 172249373 /nfs/dbraw/zinc/24/93/73/172249373.db2.gz LLQNZOYJYIZTGR-UHFFFAOYSA-N 0 0 245.204 2.072 50 0 BEAARN CCn1ncc(C(=O)N2CCC[C@H](C)C2)c1C ZINC000002781277 172253208 /nfs/dbraw/zinc/25/32/08/172253208.db2.gz GWDKKEBTNFISMC-JTQLQIEISA-N 0 0 235.331 2.084 50 0 BEAARN CCn1nccc1CNC(=O)c1ccc(C)cc1 ZINC000002796435 172268754 /nfs/dbraw/zinc/26/87/54/172268754.db2.gz YKGGMMAVKADYJK-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1nnc(-c2cccc(Cl)c2)n1 ZINC000040473937 172285317 /nfs/dbraw/zinc/28/53/17/172285317.db2.gz LLPARLWBWSMAES-UHFFFAOYSA-N 0 0 208.652 2.013 50 0 BEAARN CN(C(=O)COCC(F)(F)F)c1ccccc1 ZINC000040533829 172311768 /nfs/dbraw/zinc/31/17/68/172311768.db2.gz PLIGIBNFJSONQJ-UHFFFAOYSA-N 0 0 247.216 2.228 50 0 BEAARN CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1O ZINC000095942555 172325684 /nfs/dbraw/zinc/32/56/84/172325684.db2.gz SYCPWHUVXAZZPW-ZJUUUORDSA-N 0 0 229.320 2.157 50 0 BEAARN CN(C(=O)[C@H]1CC1(C)C)c1ccccn1 ZINC000125149447 172332763 /nfs/dbraw/zinc/33/27/63/172332763.db2.gz VQMUJSFHNWHNMK-SECBINFHSA-N 0 0 204.273 2.091 50 0 BEAARN CN(C)/C=C1\C(=O)Nc2cc(Cl)ccc21 ZINC000036047691 172350757 /nfs/dbraw/zinc/35/07/57/172350757.db2.gz YJDOALCKVFVBTA-TWGQIWQCSA-N 0 0 222.675 2.195 50 0 BEAARN CN(C)C(=O)CCc1nc2ccccc2s1 ZINC000003310279 172361142 /nfs/dbraw/zinc/36/11/42/172361142.db2.gz VATLSTXHXLSXAT-UHFFFAOYSA-N 0 0 234.324 2.317 50 0 BEAARN CN(C)C(=O)CCSc1ccccc1F ZINC000052931395 172361759 /nfs/dbraw/zinc/36/17/59/172361759.db2.gz LOKNQBMTQMFJMY-UHFFFAOYSA-N 0 0 227.304 2.396 50 0 BEAARN CN(C)C(=O)CSc1ccccc1F ZINC000032738710 172373928 /nfs/dbraw/zinc/37/39/28/172373928.db2.gz KAFGLUUIXPBYGG-UHFFFAOYSA-N 0 0 213.277 2.006 50 0 BEAARN CN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000104078790 172374011 /nfs/dbraw/zinc/37/40/11/172374011.db2.gz CVFIGCUFBASMHJ-NSHDSACASA-N 0 0 203.285 2.195 50 0 BEAARN CN(C)C(=O)CSc1ccc2ccccc2n1 ZINC000097513921 172374629 /nfs/dbraw/zinc/37/46/29/172374629.db2.gz HYXRPJFQLPOEFY-UHFFFAOYSA-N 0 0 246.335 2.415 50 0 BEAARN CN(C)C(=O)CSc1cccc2cccnc21 ZINC000000386116 172374728 /nfs/dbraw/zinc/37/47/28/172374728.db2.gz HHEWMYPQRDVRNJ-UHFFFAOYSA-N 0 0 246.335 2.415 50 0 BEAARN CN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC000104078795 172375082 /nfs/dbraw/zinc/37/50/82/172375082.db2.gz CVFIGCUFBASMHJ-LLVKDONJSA-N 0 0 203.285 2.195 50 0 BEAARN CN(C)C(=O)Nc1cnc2ccccc2c1 ZINC000000206786 172382329 /nfs/dbraw/zinc/38/23/29/172382329.db2.gz WQCIBVHCNRYPDL-UHFFFAOYSA-N 0 0 215.256 2.328 50 0 BEAARN CN(C)C(=O)[C@@H]1SCCc2sccc21 ZINC000079452004 172385182 /nfs/dbraw/zinc/38/51/82/172385182.db2.gz GEKJSMFDYYDMCL-SECBINFHSA-N 0 0 227.354 2.167 50 0 BEAARN CN(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044976613 172386639 /nfs/dbraw/zinc/38/66/39/172386639.db2.gz MVRNCZJEDAJLJR-JGVFFNPUSA-N 0 0 223.238 2.443 50 0 BEAARN CN(C)C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000036392264 172387401 /nfs/dbraw/zinc/38/74/01/172387401.db2.gz TUHAACPCZUOJDS-UHFFFAOYSA-N 0 0 234.230 2.183 50 0 BEAARN CN(C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000013625094 172390312 /nfs/dbraw/zinc/39/03/12/172390312.db2.gz YIWFIQCCHGPIFA-UHFFFAOYSA-N 0 0 248.326 2.373 50 0 BEAARN CN(C)C(=O)c1cnn(-c2ccccc2)c1Cl ZINC000095117435 172391653 /nfs/dbraw/zinc/39/16/53/172391653.db2.gz JILUTOZXUSUDGA-UHFFFAOYSA-N 0 0 249.701 2.228 50 0 BEAARN CN(C)C(=O)c1cnc(-c2ccoc2)s1 ZINC000096416881 172392154 /nfs/dbraw/zinc/39/21/54/172392154.db2.gz WNMNSUKVVDTLLB-UHFFFAOYSA-N 0 0 222.269 2.105 50 0 BEAARN CN(C)C(=O)c1csc(Cc2ccccc2)n1 ZINC000040088861 172393094 /nfs/dbraw/zinc/39/30/94/172393094.db2.gz QWCLSVTTYFMLPS-UHFFFAOYSA-N 0 0 246.335 2.436 50 0 BEAARN CN(C)C(=O)c1csc(C(C)(C)C)n1 ZINC000096402852 172393645 /nfs/dbraw/zinc/39/36/45/172393645.db2.gz LVYHTCLZVYUDMU-UHFFFAOYSA-N 0 0 212.318 2.142 50 0 BEAARN CN(C)c1cc(Cl)nc(Cl)c1C=O ZINC000095933624 172544656 /nfs/dbraw/zinc/54/46/56/172544656.db2.gz KVTAHBBCANJEDA-UHFFFAOYSA-N 0 0 219.071 2.267 50 0 BEAARN C[N@@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000032918990 173048925 /nfs/dbraw/zinc/04/89/25/173048925.db2.gz ZCAKVRDVEBTZMN-LBPRGKRZSA-N 0 0 219.284 2.194 50 0 BEAARN CN1N=C(/C=C/c2ccccc2)CCC1=O ZINC000001383555 173200873 /nfs/dbraw/zinc/20/08/73/173200873.db2.gz ALNKXYSIOOSXLW-BQYQJAHWSA-N 0 0 214.268 2.308 50 0 BEAARN CNC(=O)/C=C/c1ccccc1OC(F)F ZINC000065612742 173211223 /nfs/dbraw/zinc/21/12/23/173211223.db2.gz FIHXTSPWDUDURP-VOTSOKGWSA-N 0 0 227.210 2.047 50 0 BEAARN CNC(=O)C1(c2ccccc2)CCCC1 ZINC000000399007 173222588 /nfs/dbraw/zinc/22/25/88/173222588.db2.gz WVSDQRXMAMFRGL-UHFFFAOYSA-N 0 0 203.285 2.244 50 0 BEAARN CNC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000069697432 173263639 /nfs/dbraw/zinc/26/36/39/173263639.db2.gz BEHLEDKLSUFNDW-UHFFFAOYSA-N 0 0 231.217 2.384 50 0 BEAARN CNC(=O)Cc1nc(Cc2ccccc2)cs1 ZINC000096009347 173283639 /nfs/dbraw/zinc/28/36/39/173283639.db2.gz FWGPCAWGXSQWCF-UHFFFAOYSA-N 0 0 246.335 2.022 50 0 BEAARN CNC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000015480507 173283783 /nfs/dbraw/zinc/28/37/83/173283783.db2.gz LUQQWDWDUXMFGH-UHFFFAOYSA-N 0 0 246.335 2.407 50 0 BEAARN CNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000080585715 173285827 /nfs/dbraw/zinc/28/58/27/173285827.db2.gz RKWAVFIDUBBHCR-AAEUAGOBSA-N 0 0 232.327 2.451 50 0 BEAARN CNC(=O)OCC(C)(C)[C@H](O)c1ccccc1 ZINC000003122373 173293529 /nfs/dbraw/zinc/29/35/29/173293529.db2.gz ULOVRPUPUUDMIX-LLVKDONJSA-N 0 0 237.299 2.102 50 0 BEAARN CNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004868485 173296046 /nfs/dbraw/zinc/29/60/46/173296046.db2.gz WEVZXORDKPCNQA-MRVPVSSYSA-N 0 0 227.691 2.162 50 0 BEAARN CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151056736 173308256 /nfs/dbraw/zinc/30/82/56/173308256.db2.gz FSWXJGSBQVQXSL-RQJHMYQMSA-N 0 0 227.666 2.329 50 0 BEAARN CNC(=O)c1cc(C)nc2ccc(F)cc21 ZINC000000540947 173309495 /nfs/dbraw/zinc/30/94/95/173309495.db2.gz VPHHHKLWFJLGDF-UHFFFAOYSA-N 0 0 218.231 2.042 50 0 BEAARN CNC(=O)c1cc(Cl)ccc1Cl ZINC000000577939 173309565 /nfs/dbraw/zinc/30/95/65/173309565.db2.gz LWPYJMKJCAFHIA-UHFFFAOYSA-N 0 0 204.056 2.353 50 0 BEAARN CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000015205557 173310186 /nfs/dbraw/zinc/31/01/86/173310186.db2.gz BPFZXGAWSIZYJJ-UHFFFAOYSA-N 0 0 208.648 2.181 50 0 BEAARN CNC(=O)c1ccc(-c2ccccc2F)o1 ZINC000047339960 173310252 /nfs/dbraw/zinc/31/02/52/173310252.db2.gz ATUIFMWSMGJFML-UHFFFAOYSA-N 0 0 219.215 2.445 50 0 BEAARN CNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000032815748 173311171 /nfs/dbraw/zinc/31/11/71/173311171.db2.gz FXOLHLADLZJMHY-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN CNC(=O)c1cccc(-c2ccc(OC)nc2)c1 ZINC000085210180 173311422 /nfs/dbraw/zinc/31/14/22/173311422.db2.gz FGODRGFDAIVKLH-UHFFFAOYSA-N 0 0 242.278 2.117 50 0 BEAARN CNC(=O)c1ccc(OCc2cccnc2)cc1 ZINC000032796765 173311484 /nfs/dbraw/zinc/31/14/84/173311484.db2.gz NFHRCRKYHFXOGS-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN CNC(=O)c1cccc(Cl)c1Cl ZINC000014187606 173311867 /nfs/dbraw/zinc/31/18/67/173311867.db2.gz DWSYKZMUTLSQQF-UHFFFAOYSA-N 0 0 204.056 2.353 50 0 BEAARN CNC(=S)Nc1cc(Cl)ccc1OC ZINC000000439630 173317103 /nfs/dbraw/zinc/31/71/03/173317103.db2.gz NALJWUCQJLXUJW-UHFFFAOYSA-N 0 0 230.720 2.265 50 0 BEAARN CNC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000041749951 173315116 /nfs/dbraw/zinc/31/51/16/173315116.db2.gz CXSPFLYZLQNZSN-UHFFFAOYSA-N 0 0 236.296 2.380 50 0 BEAARN CNC(=S)Nc1ccccc1SC ZINC000004820371 173316509 /nfs/dbraw/zinc/31/65/09/173316509.db2.gz NASLRUWPFLYORB-UHFFFAOYSA-N 0 0 212.343 2.325 50 0 BEAARN CNC(=S)Nc1ccc2c(c1)CCCC2 ZINC000004708904 173316907 /nfs/dbraw/zinc/31/69/07/173316907.db2.gz PVCDDNXNPFYJCH-UHFFFAOYSA-N 0 0 220.341 2.482 50 0 BEAARN CNC(=S)Nc1ccccc1-n1cccc1 ZINC000000117731 173316996 /nfs/dbraw/zinc/31/69/96/173316996.db2.gz NYHMHZDAGCTALH-UHFFFAOYSA-N 0 0 231.324 2.394 50 0 BEAARN CNS(=O)(=O)c1c(C)sc2ccccc21 ZINC000084936335 173407566 /nfs/dbraw/zinc/40/75/66/173407566.db2.gz KCAWRDGZPMYNPT-UHFFFAOYSA-N 0 0 241.337 2.118 50 0 BEAARN CNc1nc(SC)nc2ccsc21 ZINC000001394045 173487534 /nfs/dbraw/zinc/48/75/34/173487534.db2.gz QQHCNHFIVXEYLP-UHFFFAOYSA-N 0 0 211.315 2.455 50 0 BEAARN COC(=O)CCc1cccc2cnccc21 ZINC000072206982 173567629 /nfs/dbraw/zinc/56/76/29/173567629.db2.gz JJKASTZXQCRUKR-UHFFFAOYSA-N 0 0 215.252 2.340 50 0 BEAARN COC(=O)c1c(C)oc2ccc(O)cc21 ZINC000003902765 173843183 /nfs/dbraw/zinc/84/31/83/173843183.db2.gz QZLJYWONHJSRPM-UHFFFAOYSA-N 0 0 206.197 2.233 50 0 biogenic BEAARN COC(=O)c1c(C)c(C)sc1NC(C)=O ZINC000000236845 173844337 /nfs/dbraw/zinc/84/43/37/173844337.db2.gz JJNXBVUWSDNXSK-UHFFFAOYSA-N 0 0 227.285 2.110 50 0 BEAARN COC(=O)c1cc(-c2cccc(OC)c2)no1 ZINC000000266325 173848116 /nfs/dbraw/zinc/84/81/16/173848116.db2.gz KSZVQXSCGMXAME-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 BEAARN COC(=O)c1cc2nc[nH]c2c(Cl)c1 ZINC000073633878 173856959 /nfs/dbraw/zinc/85/69/59/173856959.db2.gz RBSAMLGMBYUZEN-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC(=O)c1cc2c([nH]1)c(F)ccc2OC ZINC000098209953 173863858 /nfs/dbraw/zinc/86/38/58/173863858.db2.gz HLBVMTKGHOJWLM-UHFFFAOYSA-N 0 0 223.203 2.102 50 0 BEAARN COC(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000032860356 173864127 /nfs/dbraw/zinc/86/41/27/173864127.db2.gz WROHEKVTEQWMQW-UHFFFAOYSA-N 0 0 233.271 2.107 50 0 BEAARN COC(=O)c1cc2ccccc2cc1C(=O)OC ZINC000000056687 173864608 /nfs/dbraw/zinc/86/46/08/173864608.db2.gz MPDGBCOIHNLQMR-UHFFFAOYSA-N 0 0 244.246 2.413 50 0 BEAARN COC(=O)c1ccc(-c2ccc(OC)cc2)[nH]1 ZINC000021782087 173866459 /nfs/dbraw/zinc/86/64/59/173866459.db2.gz GKJKRKVXAWHLCK-UHFFFAOYSA-N 0 0 231.251 2.477 50 0 biogenic BEAARN COC(=O)c1ccc(C=O)n1-c1ccc(F)cc1 ZINC000000165567 173871741 /nfs/dbraw/zinc/87/17/41/173871741.db2.gz CTRINKVFHXPXRC-UHFFFAOYSA-N 0 0 247.225 2.216 50 0 BEAARN COC(=O)c1ccc(Nc2cc(C)ncn2)cc1 ZINC000011902748 173885738 /nfs/dbraw/zinc/88/57/38/173885738.db2.gz OORSGBZWYVKJNP-UHFFFAOYSA-N 0 0 243.266 2.315 50 0 BEAARN COC(=O)c1cccc2c(O)cccc12 ZINC000072482166 173896640 /nfs/dbraw/zinc/89/66/40/173896640.db2.gz JXPWWZATUWESQH-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN COC(=O)c1ccoc1CS[C@@H](C)[C@@H](C)O ZINC000079065033 173903696 /nfs/dbraw/zinc/90/36/96/173903696.db2.gz UBRCEEUCLGYNAI-SFYZADRCSA-N 0 0 244.312 2.069 50 0 BEAARN COC(=O)c1csc(Br)c1 ZINC000036393510 173914409 /nfs/dbraw/zinc/91/44/09/173914409.db2.gz VFWZOBQPAHYSDL-UHFFFAOYSA-N 0 0 221.075 2.297 50 0 BEAARN COC(=O)c1scc(Br)c1F ZINC000040448448 173923214 /nfs/dbraw/zinc/92/32/14/173923214.db2.gz WOIOEHSFRAGWFF-UHFFFAOYSA-N 0 0 239.065 2.436 50 0 BEAARN COCC(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000040089050 174053785 /nfs/dbraw/zinc/05/37/85/174053785.db2.gz GHMLWSYRQQIHMA-VIFPVBQESA-N 0 0 239.340 2.232 50 0 BEAARN COCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000070245123 174055208 /nfs/dbraw/zinc/05/52/08/174055208.db2.gz JHUMVLCDESMHEX-LLVKDONJSA-N 0 0 247.338 2.389 50 0 BEAARN COCC(=O)Nc1ccc(F)cc1Cl ZINC000057382692 174059721 /nfs/dbraw/zinc/05/97/21/174059721.db2.gz ZUJOMIVNLHHFGR-UHFFFAOYSA-N 0 0 217.627 2.064 50 0 BEAARN COCC(C)(C)NC(=O)Nc1cccc(F)c1 ZINC000084326252 174080807 /nfs/dbraw/zinc/08/08/07/174080807.db2.gz PASCEHVWCBJUMO-UHFFFAOYSA-N 0 0 240.278 2.372 50 0 BEAARN COCC1(CNC(=O)C[C@H]2C=CCC2)CCC1 ZINC000337179292 174101458 /nfs/dbraw/zinc/10/14/58/174101458.db2.gz LDCMVVLGBOMCNI-LBPRGKRZSA-N 0 0 237.343 2.276 50 0 BEAARN COCCC(=O)Nc1ccc(F)cc1C ZINC000058368170 174136148 /nfs/dbraw/zinc/13/61/48/174136148.db2.gz DNJDDCILVCAOMN-UHFFFAOYSA-N 0 0 211.236 2.109 50 0 BEAARN COCCCCC(=O)Nc1ccc(O)cc1C ZINC000096437115 174173817 /nfs/dbraw/zinc/17/38/17/174173817.db2.gz PTGPHDXPSVMTCH-UHFFFAOYSA-N 0 0 237.299 2.456 50 0 BEAARN COCCCCC(=O)Nc1ccc(C)c(O)c1 ZINC000095418181 174173867 /nfs/dbraw/zinc/17/38/67/174173867.db2.gz XFNVFNNECGORAR-UHFFFAOYSA-N 0 0 237.299 2.456 50 0 BEAARN COCCCCC(=O)Nc1cc(C)ns1 ZINC000096449161 174174412 /nfs/dbraw/zinc/17/44/12/174174412.db2.gz JJCXIOMVXZXTOY-UHFFFAOYSA-N 0 0 228.317 2.207 50 0 BEAARN COCCCNC(=O)/C=C\c1ccc(C)cc1 ZINC000033406349 174236761 /nfs/dbraw/zinc/23/67/61/174236761.db2.gz VEYRZGKCQMDGAH-HJWRWDBZSA-N 0 0 233.311 2.161 50 0 BEAARN COCCCNC(=O)N[C@@H]1CCc2ccccc21 ZINC000049265417 174242550 /nfs/dbraw/zinc/24/25/50/174242550.db2.gz AIABKIGUUVWVHH-CYBMUJFWSA-N 0 0 248.326 2.010 50 0 BEAARN COCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000048324750 174244239 /nfs/dbraw/zinc/24/42/39/174244239.db2.gz YSUOQZKOQNGYEQ-NWDGAFQWSA-N 0 0 239.359 2.378 50 0 BEAARN COCCCNC(=O)c1ccc(C)cc1C ZINC000002847256 174245385 /nfs/dbraw/zinc/24/53/85/174245385.db2.gz FVNIDFZOXSFDEH-UHFFFAOYSA-N 0 0 221.300 2.070 50 0 BEAARN COCCCSCC(=O)N1CCCC[C@H]1C ZINC000187929103 174258591 /nfs/dbraw/zinc/25/85/91/174258591.db2.gz ROVDPODVKKKGAM-LLVKDONJSA-N 0 0 245.388 2.157 50 0 BEAARN COCCN(C(=O)c1ccccn1)C1CCCC1 ZINC000045511642 174269600 /nfs/dbraw/zinc/26/96/00/174269600.db2.gz PLRAAIJMRMCQHA-UHFFFAOYSA-N 0 0 248.326 2.113 50 0 BEAARN COCCN(Cc1cccs1)C(=O)C(C)C ZINC000040473036 174301296 /nfs/dbraw/zinc/30/12/96/174301296.db2.gz YLIJZXFPCAHCEW-UHFFFAOYSA-N 0 0 241.356 2.379 50 0 BEAARN COCCNC(=O)NC1(c2ccccc2)CCC1 ZINC000079334950 174323744 /nfs/dbraw/zinc/32/37/44/174323744.db2.gz CFQOJNAFOYBEQE-UHFFFAOYSA-N 0 0 248.326 2.011 50 0 BEAARN COCCNC(=O)Nc1ccc(C)cc1Cl ZINC000040525679 174326022 /nfs/dbraw/zinc/32/60/22/174326022.db2.gz HTNJZGIFKULDKD-UHFFFAOYSA-N 0 0 242.706 2.416 50 0 BEAARN COCCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000013331987 174329585 /nfs/dbraw/zinc/32/95/85/174329585.db2.gz ULJUWHHIYPIVBT-UHFFFAOYSA-N 0 0 247.216 2.082 50 0 BEAARN COCCNC(=O)c1sccc1C(C)C ZINC000052916735 174329630 /nfs/dbraw/zinc/32/96/30/174329630.db2.gz LYVFYNRFNLTFSN-UHFFFAOYSA-N 0 0 227.329 2.248 50 0 BEAARN COCCNc1ccc(-c2ccc(F)cc2)nn1 ZINC000020717376 174341137 /nfs/dbraw/zinc/34/11/37/174341137.db2.gz LVKUDTLDAPORAM-UHFFFAOYSA-N 0 0 247.273 2.341 50 0 BEAARN COCCOc1ccc(Br)cc1O ZINC000072190252 174367995 /nfs/dbraw/zinc/36/79/95/174367995.db2.gz JCJIJTZLZNGJLU-UHFFFAOYSA-N 0 0 247.088 2.180 50 0 BEAARN COCCOc1ncccc1NC1CCC1 ZINC000097236309 174370819 /nfs/dbraw/zinc/37/08/19/174370819.db2.gz HNSKICKOSXABES-UHFFFAOYSA-N 0 0 222.288 2.071 50 0 BEAARN COCCSCC(=O)N(C)C1CCCCC1 ZINC000045024503 174373785 /nfs/dbraw/zinc/37/37/85/174373785.db2.gz TWDKRJWWABNNSR-UHFFFAOYSA-N 0 0 245.388 2.157 50 0 BEAARN COC[C@H](C)OC(=O)c1sccc1C ZINC000071905097 174553504 /nfs/dbraw/zinc/55/35/04/174553504.db2.gz LVHHKBCFYREXHH-QMMMGPOBSA-N 0 0 214.286 2.248 50 0 BEAARN COCc1ccc(C(=O)O[C@@H](C)COC)cc1 ZINC000073834553 174621813 /nfs/dbraw/zinc/62/18/13/174621813.db2.gz BTMQLLLKJGEJNS-JTQLQIEISA-N 0 0 238.283 2.025 50 0 BEAARN COCc1noc(-c2cccc3cc[nH]c32)n1 ZINC000096435864 174648701 /nfs/dbraw/zinc/64/87/01/174648701.db2.gz XPPWISDFBXQZSK-UHFFFAOYSA-N 0 0 229.239 2.364 50 0 BEAARN CO[C@H](C)CCOC(=O)c1csc(C)n1 ZINC000096442875 174819280 /nfs/dbraw/zinc/81/92/80/174819280.db2.gz RCPAFZDTLDHBLS-SSDOTTSWSA-N 0 0 229.301 2.033 50 0 BEAARN COc1c(Cl)cc(CO)cc1Cl ZINC000000470083 174929068 /nfs/dbraw/zinc/92/90/68/174929068.db2.gz JGXJHWOAICEPDE-UHFFFAOYSA-N 0 0 207.056 2.494 50 0 BEAARN COc1cc(-n2ccc(C)n2)ccc1NC(C)=O ZINC000065370333 174940230 /nfs/dbraw/zinc/94/02/30/174940230.db2.gz XEPKHJAAKCWMTJ-UHFFFAOYSA-N 0 0 245.282 2.148 50 0 BEAARN COc1cc(C)cc(-c2cc(N)ncn2)c1OC ZINC000097635066 174964404 /nfs/dbraw/zinc/96/44/04/174964404.db2.gz ROSJUKUQKDQNGK-UHFFFAOYSA-N 0 0 245.282 2.051 50 0 BEAARN COc1cc(N2CCCC2)ccc1C=O ZINC000000620608 174997335 /nfs/dbraw/zinc/99/73/35/174997335.db2.gz FKOMMOONHLWVTE-UHFFFAOYSA-N 0 0 205.257 2.108 50 0 BEAARN COc1cc(NC(=O)[C@H]2C[C@H]2C)cc(OC)c1 ZINC000006385965 175000870 /nfs/dbraw/zinc/00/08/70/175000870.db2.gz YQRKNUWRPNIAAQ-PELKAZGASA-N 0 0 235.283 2.298 50 0 BEAARN COc1cc(OC)c(-c2ncc[nH]2)c(OC)c1 ZINC000067789870 175006036 /nfs/dbraw/zinc/00/60/36/175006036.db2.gz QOUKUPBZBBUGGJ-UHFFFAOYSA-N 0 0 234.255 2.103 50 0 BEAARN COc1cc2c(cc1OC)CC(C)(C)N=C2 ZINC000004010724 175024170 /nfs/dbraw/zinc/02/41/70/175024170.db2.gz UEZVGZTZOKFHGW-UHFFFAOYSA-N 0 0 219.284 2.457 50 0 biogenic BEAARN COc1cc2oc(=O)cc(C)c2cc1C(C)=O ZINC000048512621 175029393 /nfs/dbraw/zinc/02/93/93/175029393.db2.gz VUCNMTJKOVQQAK-UHFFFAOYSA-N 0 0 232.235 2.313 50 0 BEAARN COc1ccc(-c2ccnc3nc(C)nn32)cc1 ZINC000072439770 175036353 /nfs/dbraw/zinc/03/63/53/175036353.db2.gz OPQOFMMPYMVUKY-UHFFFAOYSA-N 0 0 240.266 2.108 50 0 BEAARN COc1ccc(-c2[nH]c(=NN)sc2C)cc1 ZINC000004293976 175039324 /nfs/dbraw/zinc/03/93/24/175039324.db2.gz QQDCHHRILDEBJW-UHFFFAOYSA-N 0 0 235.312 2.413 50 0 BEAARN COc1ccc(-c2nc(N)ncc2C)cc1F ZINC000001384492 175039409 /nfs/dbraw/zinc/03/94/09/175039409.db2.gz VTEZOYAOWZOMQA-UHFFFAOYSA-N 0 0 233.246 2.182 50 0 BEAARN COc1ccc(C=Cc2nccc(=O)[nH]2)cc1F ZINC000098052970 175049269 /nfs/dbraw/zinc/04/92/69/175049269.db2.gz XIWDBYUDXOOBJR-HYXAFXHYSA-N 0 0 246.241 2.088 50 0 BEAARN COc1ccc(C(=O)N(C)c2ccccc2)cn1 ZINC000053066852 175055127 /nfs/dbraw/zinc/05/51/27/175055127.db2.gz KWZWRGPZBPPDOF-UHFFFAOYSA-N 0 0 242.278 2.367 50 0 BEAARN COc1ccc(C(=O)N2CCCC[C@@H]2C)c(O)c1 ZINC000019837065 175055665 /nfs/dbraw/zinc/05/56/65/175055665.db2.gz OACHEMOEZZSLOW-JTQLQIEISA-N 0 0 249.310 2.415 50 0 BEAARN COc1ccc(C(=O)N[C@H](C)C2CC2)cc1 ZINC000025592980 175063190 /nfs/dbraw/zinc/06/31/90/175063190.db2.gz RZGOKNIVAKPJEW-SECBINFHSA-N 0 0 219.284 2.224 50 0 BEAARN COc1ccc(C)cc1N1C(=S)N=NC1C ZINC000006400529 175073279 /nfs/dbraw/zinc/07/32/79/175073279.db2.gz PMOYVEOKZLQJGV-UHFFFAOYSA-N 0 0 235.312 2.181 50 0 BEAARN COc1ccc(C)cc1NC(=O)N(C)C ZINC000000396538 175077931 /nfs/dbraw/zinc/07/79/31/175077931.db2.gz IGUSVKZNUJNYPN-UHFFFAOYSA-N 0 0 208.261 2.097 50 0 BEAARN COc1ccc(C2=NC(C)(C)CO2)cc1 ZINC000000165347 175085252 /nfs/dbraw/zinc/08/52/52/175085252.db2.gz HQVCWVGSZXODRW-UHFFFAOYSA-N 0 0 205.257 2.251 50 0 BEAARN COc1ccc(C=O)cc1OCCC(C)(C)O ZINC000081676560 175086438 /nfs/dbraw/zinc/08/64/38/175086438.db2.gz AHLAPFIKMKIYEP-UHFFFAOYSA-N 0 0 238.283 2.048 50 0 BEAARN COc1ccc(C=O)cc1OCc1ccncc1 ZINC000014001381 175086651 /nfs/dbraw/zinc/08/66/51/175086651.db2.gz BWWZHMWPNJUHMG-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN COc1ccc(CC(C)(C)O)cc1OC ZINC000001426304 175088141 /nfs/dbraw/zinc/08/81/41/175088141.db2.gz HVYXNVQLRUJLAO-UHFFFAOYSA-N 0 0 210.273 2.017 50 0 biogenic,in-vitro BEAARN COc1ccc(CCCO)cc1Br ZINC000044396247 175089383 /nfs/dbraw/zinc/08/93/83/175089383.db2.gz ANVIDQUKPNLNIR-UHFFFAOYSA-N 0 0 245.116 2.383 50 0 BEAARN COc1ccc(F)c(-c2cccc(N)n2)c1 ZINC000032509010 175124709 /nfs/dbraw/zinc/12/47/09/175124709.db2.gz MPBGHTRALSQKOS-UHFFFAOYSA-N 0 0 218.231 2.479 50 0 BEAARN COc1ccc(F)c(NC(=O)c2cc(C)[nH]n2)c1 ZINC000088210299 175126363 /nfs/dbraw/zinc/12/63/63/175126363.db2.gz UXVQMMWEANMRGB-UHFFFAOYSA-N 0 0 249.245 2.118 50 0 BEAARN COc1ccc(N)cc1NC(=O)C(C)(C)C ZINC000008703548 175138457 /nfs/dbraw/zinc/13/84/57/175138457.db2.gz LDPFDYRNEMQXON-UHFFFAOYSA-N 0 0 222.288 2.262 50 0 BEAARN COc1ccc(NC(=O)N2CCCCCC2)cn1 ZINC000048019289 175143630 /nfs/dbraw/zinc/14/36/30/175143630.db2.gz RWCHBXWUPKTRES-UHFFFAOYSA-N 0 0 249.314 2.498 50 0 BEAARN COc1ccc(NC(=O)c2ccccc2O)cn1 ZINC000012542392 175147770 /nfs/dbraw/zinc/14/77/70/175147770.db2.gz CUBMWRBUGWSEPS-UHFFFAOYSA-N 0 0 244.250 2.048 50 0 BEAARN COc1ccc(NC(=O)c2ccc(F)cc2)cn1 ZINC000005199226 175147832 /nfs/dbraw/zinc/14/78/32/175147832.db2.gz IUTVEZXYMCJRBV-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(NC(=O)c2coc(C)n2)cc1 ZINC000022538201 175148957 /nfs/dbraw/zinc/14/89/57/175148957.db2.gz CRDFYHCOSWDDFF-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccc(N[C@@H](C)CCn2cccn2)cn1 ZINC000097162466 175153393 /nfs/dbraw/zinc/15/33/93/175153393.db2.gz SBHZNVOLYOKIRZ-NSHDSACASA-N 0 0 246.314 2.177 50 0 BEAARN COc1ccc(O)c(NC(=O)C2=CCCC2)c1 ZINC000095443685 175159264 /nfs/dbraw/zinc/15/92/64/175159264.db2.gz RSJLGXMYNPCVLH-UHFFFAOYSA-N 0 0 233.267 2.450 50 0 BEAARN COc1ccc(OC)c(-c2csc(N)n2)c1 ZINC000000038022 175163658 /nfs/dbraw/zinc/16/36/58/175163658.db2.gz FXGVKHSZIMCUTR-UHFFFAOYSA-N 0 0 236.296 2.410 50 0 BEAARN COc1ccc(OC)c([C@@H]2CCCN2C(C)=O)c1 ZINC000032819172 175168119 /nfs/dbraw/zinc/16/81/19/175168119.db2.gz HUKPYMQSFICYEX-ZDUSSCGKSA-N 0 0 249.310 2.387 50 0 BEAARN COc1ccc(OCCC(=O)N2CCCC2)cc1 ZINC000000621082 175171688 /nfs/dbraw/zinc/17/16/88/175171688.db2.gz IQSJXEZBXYLFMB-UHFFFAOYSA-N 0 0 249.310 2.087 50 0 BEAARN COc1ccc([C@@H]2CC(C)=Nc3nncn32)cc1 ZINC000102435570 175182154 /nfs/dbraw/zinc/18/21/54/175182154.db2.gz IUQIPGUGGFPSAQ-LBPRGKRZSA-N 0 0 242.282 2.205 50 0 BEAARN COc1ccc([C@@H]2CCCN2C(C)=O)cc1OC ZINC000032904674 175182800 /nfs/dbraw/zinc/18/28/00/175182800.db2.gz FUKMPIJOBJEHBJ-LBPRGKRZSA-N 0 0 249.310 2.387 50 0 BEAARN COc1ccc2c(C)cc(=O)oc2c1C(C)=O ZINC000000485503 175203804 /nfs/dbraw/zinc/20/38/04/175203804.db2.gz AAIAQYPADPJMBV-UHFFFAOYSA-N 0 0 232.235 2.313 50 0 biogenic BEAARN COc1ccc2c(C)cc(=O)oc2c1OC ZINC000000057813 175203875 /nfs/dbraw/zinc/20/38/75/175203875.db2.gz KVRKWGMQOATVAE-UHFFFAOYSA-N 0 0 220.224 2.119 50 0 BEAARN COc1ccc2c(c1)-c1nc(N)sc1CC2 ZINC000000174522 175205475 /nfs/dbraw/zinc/20/54/75/175205475.db2.gz VJJQBKMQAKBKDC-UHFFFAOYSA-N 0 0 232.308 2.500 50 0 BEAARN COc1ccc2c(c1)CCc1sc(N)nc1-2 ZINC000000060898 175209677 /nfs/dbraw/zinc/20/96/77/175209677.db2.gz RCVDCZOEHBRZGK-UHFFFAOYSA-N 0 0 232.308 2.500 50 0 BEAARN COc1ccc2c(c1)[C@@H](O)C[C@@H](C(F)(F)F)O2 ZINC000043464918 175214554 /nfs/dbraw/zinc/21/45/54/175214554.db2.gz JFPBLFLXPAOFAF-WPRPVWTQSA-N 0 0 248.200 2.442 50 0 BEAARN COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001801076 175223441 /nfs/dbraw/zinc/22/34/41/175223441.db2.gz DTFKDQHTVIJYTF-UHFFFAOYSA-N 0 0 216.236 2.290 50 0 BEAARN COc1ccc2cc(C(=O)N(C)C)c(C)nc2c1 ZINC000032843964 175223474 /nfs/dbraw/zinc/22/34/74/175223474.db2.gz RUJDFUADEPHTST-UHFFFAOYSA-N 0 0 244.294 2.254 50 0 BEAARN COc1cccc(-c2ccc(O)cc2)n1 ZINC000065451860 175234234 /nfs/dbraw/zinc/23/42/34/175234234.db2.gz CDCPUYLWRXWYQW-UHFFFAOYSA-N 0 0 201.225 2.463 50 0 BEAARN COc1cccc(-c2ncc(CO)s2)c1 ZINC000045205730 175237742 /nfs/dbraw/zinc/23/77/42/175237742.db2.gz IGQCDZVDJSFVFG-UHFFFAOYSA-N 0 0 221.281 2.311 50 0 BEAARN COc1cccc(C(=O)c2cccnc2)c1 ZINC000034116665 175247456 /nfs/dbraw/zinc/24/74/56/175247456.db2.gz PQWLVSWJIRPNTL-UHFFFAOYSA-N 0 0 213.236 2.321 50 0 BEAARN COc1cccc(CSc2ncnn2C)c1 ZINC000097375872 175270836 /nfs/dbraw/zinc/27/08/36/175270836.db2.gz KSVBHAFJGQFZTI-UHFFFAOYSA-N 0 0 235.312 2.116 50 0 BEAARN COc1cccc(N)c1C(=O)C(F)(F)F ZINC000071790114 175275142 /nfs/dbraw/zinc/27/51/42/175275142.db2.gz FSPCNMKOGZYFDC-UHFFFAOYSA-N 0 0 219.162 2.022 50 0 BEAARN COc1cccc(NC(=O)c2ccccn2)c1 ZINC000012892286 175277763 /nfs/dbraw/zinc/27/77/63/175277763.db2.gz PAMVKTILGQPDRQ-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1cccc(NC(=S)NC2CC2)c1 ZINC000000314824 175278584 /nfs/dbraw/zinc/27/85/84/175278584.db2.gz YTZZFCPUTZSDOU-UHFFFAOYSA-N 0 0 222.313 2.144 50 0 BEAARN COc1cccc([C@H](C)n2nccc2N)c1 ZINC000004575254 175294190 /nfs/dbraw/zinc/29/41/90/175294190.db2.gz OPJUZOFAZBHXLO-VIFPVBQESA-N 0 0 217.272 2.083 50 0 BEAARN COc1cccc2[nH]cc(C[NH+](C)C)c21 ZINC000032199540 175297393 /nfs/dbraw/zinc/29/73/93/175297393.db2.gz UTDGDGFOENJMAA-UHFFFAOYSA-N 0 0 204.273 2.238 50 0 BEAARN COc1ccccc1-c1nc(SC)n[nH]1 ZINC000013521138 175311301 /nfs/dbraw/zinc/31/13/01/175311301.db2.gz YBNPGRKGSRALNF-UHFFFAOYSA-N 0 0 221.285 2.202 50 0 BEAARN COc1ccccc1-n1cccc1C=O ZINC000001527088 175312916 /nfs/dbraw/zinc/31/29/16/175312916.db2.gz IDXACMSARNPHFV-UHFFFAOYSA-N 0 0 201.225 2.298 50 0 BEAARN COc1ccccc1C(=O)NCC(C)C ZINC000000831987 175318275 /nfs/dbraw/zinc/31/82/75/175318275.db2.gz PWMLCRMVXOCZCH-UHFFFAOYSA-N 0 0 207.273 2.081 50 0 BEAARN COc1ccccc1C(=O)Nc1ccccn1 ZINC000000058935 175319290 /nfs/dbraw/zinc/31/92/90/175319290.db2.gz FHPWTYWEPNEAQY-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccccc1CC(=O)NC(C)(C)C ZINC000002744607 175321031 /nfs/dbraw/zinc/32/10/31/175321031.db2.gz RAIQEEIDHDPJMW-UHFFFAOYSA-N 0 0 221.300 2.152 50 0 BEAARN COc1ccccc1CNC(=O)NC1CCCC1 ZINC000012985243 175328999 /nfs/dbraw/zinc/32/89/99/175328999.db2.gz NQNOPCNMWFOQHQ-UHFFFAOYSA-N 0 0 248.326 2.437 50 0 BEAARN COc1ccccc1N(C)C(=O)c1cnoc1C ZINC000000385253 175335315 /nfs/dbraw/zinc/33/53/15/175335315.db2.gz BCXMDJXCLCXDGG-UHFFFAOYSA-N 0 0 246.266 2.268 50 0 BEAARN COc1ccccc1NCCC(=O)NC(C)C ZINC000024969343 175337608 /nfs/dbraw/zinc/33/76/08/175337608.db2.gz PCEUVXQKVQHLMH-UHFFFAOYSA-N 0 0 236.315 2.022 50 0 BEAARN COc1ccccc1OC(=O)c1ccncc1 ZINC000000363988 175340363 /nfs/dbraw/zinc/34/03/63/175340363.db2.gz FHLDDNBIMXFHAO-UHFFFAOYSA-N 0 0 229.235 2.309 50 0 BEAARN COc1ccccc1[C@@H](C)NC(=O)C1CC1 ZINC000019935139 175344254 /nfs/dbraw/zinc/34/42/54/175344254.db2.gz VGCITDJXJLOFTQ-SECBINFHSA-N 0 0 219.284 2.282 50 0 BEAARN COc1ccnc(N2CCc3ccccc32)n1 ZINC000021963802 175362769 /nfs/dbraw/zinc/36/27/69/175362769.db2.gz NOFAIAWEOUKUQH-UHFFFAOYSA-N 0 0 227.267 2.179 50 0 BEAARN COc1ccnc(NC(=O)c2occc2C)c1 ZINC000089984376 175363409 /nfs/dbraw/zinc/36/34/09/175363409.db2.gz FDKDCJKZQOXZJU-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccnc(Sc2nccn2C2CC2)n1 ZINC000054886557 175369089 /nfs/dbraw/zinc/36/90/89/175369089.db2.gz XQLJAVZDOFTANN-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN COc1ccncc1NCc1cscn1 ZINC000095430864 175376223 /nfs/dbraw/zinc/37/62/23/175376223.db2.gz BOYNPFFWMPFQRE-UHFFFAOYSA-N 0 0 221.285 2.159 50 0 BEAARN COc1c[nH]c(C(=O)Nc2ccccc2)cc1=O ZINC000016968401 175381233 /nfs/dbraw/zinc/38/12/33/175381233.db2.gz NXBQTXFLZGAWDP-UHFFFAOYSA-N 0 0 244.250 2.048 50 0 BEAARN COc1n[nH]c2cccc(Br)c21 ZINC000082046713 175388762 /nfs/dbraw/zinc/38/87/62/175388762.db2.gz DIGXMSCAORNNLD-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1nc(F)c(Cl)c(N)c1Cl ZINC000031501063 175392662 /nfs/dbraw/zinc/39/26/62/175392662.db2.gz XBFLRBRESHZOLD-UHFFFAOYSA-N 0 0 211.023 2.118 50 0 BEAARN COc1nc(OC)c(-c2ccccc2)c(OC)n1 ZINC000096562089 175396048 /nfs/dbraw/zinc/39/60/48/175396048.db2.gz DLRKVWPMPJRQKH-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN COc1ncc(-c2nc(C(C)(C)C)no2)c(C)n1 ZINC000253396489 175397258 /nfs/dbraw/zinc/39/72/58/175397258.db2.gz DVYRGTQLRSQZAM-UHFFFAOYSA-N 0 0 248.286 2.141 50 0 BEAARN COc1ncccc1NC(=O)c1ccccc1F ZINC000037991328 175410091 /nfs/dbraw/zinc/41/00/91/175410091.db2.gz YDQQCMCDGKMTSY-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN CS(=O)(=O)CCCCc1ccccc1 ZINC000140990117 175420432 /nfs/dbraw/zinc/42/04/32/175420432.db2.gz FMSIGPSIFSNYID-UHFFFAOYSA-N 0 0 212.314 2.054 50 0 BEAARN CSCC[C@@H](C)NC(=O)c1cccnc1C ZINC000096412319 175502181 /nfs/dbraw/zinc/50/21/81/175502181.db2.gz GAHOZMSNQFMORH-SECBINFHSA-N 0 0 238.356 2.261 50 0 BEAARN CS[C@H](C)C(=O)NCC1CCCCC1 ZINC000340415663 175554712 /nfs/dbraw/zinc/55/47/12/175554712.db2.gz QERNHVOMPDSEAY-SECBINFHSA-N 0 0 215.362 2.434 50 0 BEAARN CSc1nnnn1-c1ccc(C)c(Cl)c1 ZINC000000170726 175592708 /nfs/dbraw/zinc/59/27/08/175592708.db2.gz ZONIAFHTAHGIPJ-UHFFFAOYSA-N 0 0 240.719 2.346 50 0 BEAARN C[C@@H](Cc1cccnc1)OC(=O)C[C@H]1CCCO1 ZINC000095987702 175774543 /nfs/dbraw/zinc/77/45/43/175774543.db2.gz AUUKXDZIAHGXJB-WCQYABFASA-N 0 0 249.310 2.125 50 0 BEAARN C[C@@H](NC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000032779594 175840368 /nfs/dbraw/zinc/84/03/68/175840368.db2.gz ORVMNWRTDGUJFL-ZYHUDNBSSA-N 0 0 234.299 2.376 50 0 BEAARN C[C@@H](NC(=O)Nc1nccs1)c1ccncc1 ZINC000040490194 175841975 /nfs/dbraw/zinc/84/19/75/175841975.db2.gz HTAWRRDCFALKBG-MRVPVSSYSA-N 0 0 248.311 2.421 50 0 BEAARN C[C@@H](O)CCNc1ccc(Br)cn1 ZINC000042783908 175960852 /nfs/dbraw/zinc/96/08/52/175960852.db2.gz MEKCECWQVYWMBU-SSDOTTSWSA-N 0 0 245.120 2.027 50 0 BEAARN C[C@@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000059681459 175996852 /nfs/dbraw/zinc/99/68/52/175996852.db2.gz HYTHUSLXQOXIBJ-NXEZZACHSA-N 0 0 229.320 2.157 50 0 BEAARN C[C@@H](O)c1ccc(Oc2cnccn2)cc1 ZINC000004108383 175999015 /nfs/dbraw/zinc/99/90/15/175999015.db2.gz VCRGSWFVKGVGHD-SECBINFHSA-N 0 0 216.240 2.322 50 0 BEAARN C[C@@H](Oc1ccc(OCC2CCC2)cc1)C(N)=O ZINC000089369110 176005131 /nfs/dbraw/zinc/00/51/31/176005131.db2.gz CZYSKUKQWFHDNN-SNVBAGLBSA-N 0 0 249.310 2.118 50 0 BEAARN C[C@@H](Oc1ccccc1)c1ccnc2ncnn21 ZINC000001393349 176005341 /nfs/dbraw/zinc/00/53/41/176005341.db2.gz FNIGKRUEDGCZJM-SNVBAGLBSA-N 0 0 240.266 2.264 50 0 BEAARN C[C@@H](Oc1ccccc1Cl)C(=O)N(C)C ZINC000013709578 176006141 /nfs/dbraw/zinc/00/61/41/176006141.db2.gz UAFIIXRPSGXLSD-MRVPVSSYSA-N 0 0 227.691 2.196 50 0 BEAARN C[C@@H](Oc1ccccc1F)C(=O)N1CCCC1 ZINC000032958258 176006201 /nfs/dbraw/zinc/00/62/01/176006201.db2.gz HLIIDRJZVLTBFW-SNVBAGLBSA-N 0 0 237.274 2.215 50 0 BEAARN C[C@@H](c1c(F)cccc1F)N1CC[C@H](O)C1 ZINC000265249731 176013137 /nfs/dbraw/zinc/01/31/37/176013137.db2.gz SWMCXRXFXGWLHB-IUCAKERBSA-N 0 0 227.254 2.092 50 0 BEAARN C[C@@H](c1cccc(O)c1)N(C)Cc1cncn1C ZINC000072312090 176019031 /nfs/dbraw/zinc/01/90/31/176019031.db2.gz RIMXANFWIVLGDY-NSHDSACASA-N 0 0 245.326 2.319 50 0 BEAARN C[C@H](c1nnc(N)s1)c1ccccc1 ZINC000000183416 176024126 /nfs/dbraw/zinc/02/41/26/176024126.db2.gz KFYSQDMAJLTMTR-ZETCQYMHSA-N 0 0 205.286 2.272 50 0 BEAARN C[C@@H](c1ccccn1)N(C)Cc1csnn1 ZINC000097375253 176026773 /nfs/dbraw/zinc/02/67/73/176026773.db2.gz QVBCRSSFTNCKQI-VIFPVBQESA-N 0 0 234.328 2.126 50 0 BEAARN C[C@@H](c1csnn1)N1CCC[C@](C)(F)C1 ZINC000336267607 176036697 /nfs/dbraw/zinc/03/66/97/176036697.db2.gz ZOCPQIKWHWKRMC-WPRPVWTQSA-N 0 0 229.324 2.423 50 0 BEAARN C[C@@H](c1nncn1-c1ccccc1)n1cccn1 ZINC000067817930 176039607 /nfs/dbraw/zinc/03/96/07/176039607.db2.gz WRYAAVGTHIBGRZ-NSHDSACASA-N 0 0 239.282 2.073 50 0 BEAARN C[C@@H]1[C@H](C)C(=O)CCN1Cc1ccco1 ZINC000004127237 176041651 /nfs/dbraw/zinc/04/16/51/176041651.db2.gz JTDIADXWGUFCRY-VHSXEESVSA-N 0 0 207.273 2.079 50 0 BEAARN C[C@@H]1[C@H](C)C(=O)CCN1Cc1ccccc1 ZINC000004342748 176041687 /nfs/dbraw/zinc/04/16/87/176041687.db2.gz PUVALBABJRFOQO-NWDGAFQWSA-N 0 0 217.312 2.486 50 0 BEAARN C[C@@H]1C(=O)N=C2SCCN2[C@H]1c1ccccc1 ZINC000170625828 176045601 /nfs/dbraw/zinc/04/56/01/176045601.db2.gz IBXHOKODRNZKJE-GXSJLCMTSA-N 0 0 246.335 2.309 50 0 BEAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCCO1 ZINC000032787627 176077394 /nfs/dbraw/zinc/07/73/94/176077394.db2.gz RBNVSMQLTNSFOS-WOPDTQHZSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1cnn(C)c1 ZINC000098053896 176078533 /nfs/dbraw/zinc/07/85/33/176078533.db2.gz KZHNUUCEZWRKEN-RHZMEEDWSA-N 0 0 247.342 2.128 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1csc(N)n1 ZINC000055177421 176080383 /nfs/dbraw/zinc/08/03/83/176080383.db2.gz VLMAQIPKRMWBRL-SFYZADRCSA-N 0 0 239.344 2.034 50 0 BEAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C1CC1 ZINC000040108277 176083034 /nfs/dbraw/zinc/08/30/34/176083034.db2.gz IRCUBLHLRPNCNJ-PWSUYJOCSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@@H]1CCCC[C@]12NC(=S)N(C(C)(C)C)N2 ZINC000000550092 176090922 /nfs/dbraw/zinc/09/09/22/176090922.db2.gz QZZOYHXPHZOAIV-BXKDBHETSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000011954073 176099707 /nfs/dbraw/zinc/09/97/07/176099707.db2.gz KGXNIYZKBVFNRF-SECBINFHSA-N 0 0 223.272 2.210 50 0 BEAARN C[C@@H]1CCC[C@H](CCn2ncccc2=O)C1 ZINC000195417874 176138084 /nfs/dbraw/zinc/13/80/84/176138084.db2.gz RZIXIEBXGSTWQJ-VXGBXAGGSA-N 0 0 220.316 2.460 50 0 BEAARN C[C@@H]1CCN(C(=O)C2CC=CC2)CC1(F)F ZINC000336531121 176154629 /nfs/dbraw/zinc/15/46/29/176154629.db2.gz IKOZEVBWLBKHSU-SECBINFHSA-N 0 0 229.270 2.456 50 0 BEAARN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccccc1F ZINC000156113162 176192387 /nfs/dbraw/zinc/19/23/87/176192387.db2.gz ZIFOGNUJWKZGQM-KCJUWKMLSA-N 0 0 223.247 2.189 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2ccccc2)C[C@@H](C)O1 ZINC000000396930 176252705 /nfs/dbraw/zinc/25/27/05/176252705.db2.gz MGCIRSKGOOGNNJ-GHMZBOCLSA-N 0 0 234.299 2.328 50 0 BEAARN C[C@@H]1CN(C(=O)c2cccc(Cl)c2)CCO1 ZINC000036076064 176261910 /nfs/dbraw/zinc/26/19/10/176261910.db2.gz VTVURPHBXUKYSE-SECBINFHSA-N 0 0 239.702 2.201 50 0 BEAARN C[C@@H]1CN(C)N[C@@H](c2ccccc2)S1 ZINC000102195091 176278593 /nfs/dbraw/zinc/27/85/93/176278593.db2.gz RGECSILYOSYVJM-MWLCHTKSSA-N 0 0 208.330 2.257 50 0 BEAARN C[C@@H]1CN(C)c2ccccc2CN1C(=O)C1CC1 ZINC000075107290 176279865 /nfs/dbraw/zinc/27/98/65/176279865.db2.gz UQNKCDKXVOEEEW-LLVKDONJSA-N 0 0 244.338 2.264 50 0 BEAARN C[C@@H]1COCCN1C/C=C\c1ccccc1 ZINC000102729012 176334573 /nfs/dbraw/zinc/33/45/73/176334573.db2.gz HBMOHTCBAWZCAC-DMTLFAOVSA-N 0 0 217.312 2.421 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2occc21 ZINC000012925532 176386452 /nfs/dbraw/zinc/38/64/52/176386452.db2.gz RCFKXNULFSPASJ-DVVUODLYSA-N 0 0 219.284 2.429 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)c2cnccn2)[C@H]1C ZINC000298267393 176495261 /nfs/dbraw/zinc/49/52/61/176495261.db2.gz FXQLTXZPVNTNIB-VWYCJHECSA-N 0 0 233.315 2.031 50 0 BEAARN C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000000028389 176602759 /nfs/dbraw/zinc/60/27/59/176602759.db2.gz HMITUJGNRCASQV-NXEZZACHSA-N 0 0 207.273 2.200 50 0 BEAARN C[C@H](CO)N(C)C(=O)Nc1ccccc1Cl ZINC000095443101 176697047 /nfs/dbraw/zinc/69/70/47/176697047.db2.gz HSQQNCGCBWSSSO-MRVPVSSYSA-N 0 0 242.706 2.185 50 0 BEAARN C[C@H](CO)Nc1ccc(F)c(Cl)c1 ZINC000000406003 176707423 /nfs/dbraw/zinc/70/74/23/176707423.db2.gz KLMJTKRRVZWMMR-ZCFIWIBFSA-N 0 0 203.644 2.272 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)c1ccncc1 ZINC000032817676 176725457 /nfs/dbraw/zinc/72/54/57/176725457.db2.gz IWZFMMVNVAEIRC-SNVBAGLBSA-N 0 0 230.267 2.036 50 0 BEAARN C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccncc1 ZINC000040506284 176791749 /nfs/dbraw/zinc/79/17/49/176791749.db2.gz IEMOBKHSBXHKPK-WCQYABFASA-N 0 0 248.326 2.218 50 0 BEAARN C[C@H](NC(=O)c1ccnn1C(F)F)C(C)(C)C ZINC000002780556 176820809 /nfs/dbraw/zinc/82/08/09/176820809.db2.gz OPTCZTYKLROXHD-ZETCQYMHSA-N 0 0 245.273 2.443 50 0 BEAARN C[C@H](Nc1nccn2cnnc12)c1ccccc1 ZINC000072287224 176939827 /nfs/dbraw/zinc/93/98/27/176939827.db2.gz MUTJYYGZJYOBJW-JTQLQIEISA-N 0 0 239.282 2.297 50 0 BEAARN C[C@H](OC(=O)[C@H]1C[C@H]1C)C(=O)Nc1ccccc1 ZINC000005699753 177020246 /nfs/dbraw/zinc/02/02/46/177020246.db2.gz MTMNVCRGENNVIW-SCVCMEIPSA-N 0 0 247.294 2.213 50 0 BEAARN C[C@H](Oc1ccc2ccccc2c1)C(N)=O ZINC000012380307 177023290 /nfs/dbraw/zinc/02/32/90/177023290.db2.gz RZMRLZKORQAVJB-VIFPVBQESA-N 0 0 215.252 2.092 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccccn1 ZINC000000477659 177024592 /nfs/dbraw/zinc/02/45/92/177024592.db2.gz YQTXMNCGPWCMHN-NSHDSACASA-N 0 0 242.278 2.488 50 0 BEAARN C[C@H](SCCOC(C)(C)C)C(=O)NC1CC1 ZINC000069737168 177027185 /nfs/dbraw/zinc/02/71/85/177027185.db2.gz JDALORFLPKYNTB-VIFPVBQESA-N 0 0 245.388 2.202 50 0 BEAARN C[C@H](Sc1ccc(Cl)cc1)C(N)=O ZINC000000444182 177029268 /nfs/dbraw/zinc/02/92/68/177029268.db2.gz FYELNDRZGGTEJN-LURJTMIESA-N 0 0 215.705 2.306 50 0 BEAARN C[C@H](Sc1nnnn1C)c1ccccc1 ZINC000032859663 177030797 /nfs/dbraw/zinc/03/07/97/177030797.db2.gz HRDOTWBEEAWMFD-QMMMGPOBSA-N 0 0 220.301 2.063 50 0 BEAARN C[C@H](c1c(F)cccc1F)N1CC[C@H](O)C1 ZINC000265249729 177032284 /nfs/dbraw/zinc/03/22/84/177032284.db2.gz SWMCXRXFXGWLHB-BDAKNGLRSA-N 0 0 227.254 2.092 50 0 BEAARN C[C@H](c1ccccc1)N(C)C(=O)c1cnccn1 ZINC000032721753 177038025 /nfs/dbraw/zinc/03/80/25/177038025.db2.gz FMTNDULSDHPHLM-LLVKDONJSA-N 0 0 241.294 2.310 50 0 BEAARN C[C@H](c1ccccn1)N(C)Cc1csnn1 ZINC000097375254 177043039 /nfs/dbraw/zinc/04/30/39/177043039.db2.gz QVBCRSSFTNCKQI-SECBINFHSA-N 0 0 234.328 2.126 50 0 BEAARN C[C@H]1CCCCN1Cc1nc(C2CC2)no1 ZINC000043999600 177076546 /nfs/dbraw/zinc/07/65/46/177076546.db2.gz BYRQRAFNYSBIME-VIFPVBQESA-N 0 0 221.304 2.321 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)c1csc(N)n1 ZINC000055177424 177082909 /nfs/dbraw/zinc/08/29/09/177082909.db2.gz VLMAQIPKRMWBRL-YUMQZZPRSA-N 0 0 239.344 2.034 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=S)NC1CC1 ZINC000006330464 177083084 /nfs/dbraw/zinc/08/30/84/177083084.db2.gz ANMZJIXUPYVJMT-WPRPVWTQSA-N 0 0 212.362 2.192 50 0 BEAARN C[C@H]1CCCN(C(=O)c2ccccc2N)C1 ZINC000008703305 177095623 /nfs/dbraw/zinc/09/56/23/177095623.db2.gz PXFWRLYTTJEUOI-JTQLQIEISA-N 0 0 218.300 2.141 50 0 BEAARN C[C@H]1CCC[C@H](C(=O)OCc2cnn(C)c2)C1 ZINC000076871830 177129321 /nfs/dbraw/zinc/12/93/21/177129321.db2.gz HSFNQUKCFDYQPY-JQWIXIFHSA-N 0 0 236.315 2.290 50 0 BEAARN C[C@H]1CCC[C@H](N(C)C(=O)c2ccc[nH]c2=O)C1 ZINC000040499064 177133846 /nfs/dbraw/zinc/13/38/46/177133846.db2.gz GSOWPRNKBVCIAJ-QWRGUYRKSA-N 0 0 248.326 2.026 50 0 BEAARN C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)OCO2 ZINC000071856466 177142375 /nfs/dbraw/zinc/14/23/75/177142375.db2.gz GGRWGASDGBEPAU-GXSJLCMTSA-N 0 0 247.294 2.334 50 0 BEAARN C[C@H]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1O ZINC000253396657 177163679 /nfs/dbraw/zinc/16/36/79/177163679.db2.gz BBHRTIFJOOBMSJ-TVQRCGJNSA-N 0 0 241.281 2.168 50 0 BEAARN C[C@H]1CCc2sc3[nH]cnc(=O)c3c2C1 ZINC000005045146 177211112 /nfs/dbraw/zinc/21/11/12/177211112.db2.gz DRGDPMWHYDIOAW-LURJTMIESA-N 0 0 220.297 2.109 50 0 BEAARN C[C@@H]1CN(C(=O)CC2CCCC2)C[C@H](C)O1 ZINC000012409049 177213782 /nfs/dbraw/zinc/21/37/82/177213782.db2.gz NPSIAOPIMUGOAK-PHIMTYICSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@H]1CN(C(=O)Nc2ccccc2F)CCO1 ZINC000012851168 177221345 /nfs/dbraw/zinc/22/13/45/177221345.db2.gz UHLIDIIRCUWQLW-VIFPVBQESA-N 0 0 238.262 2.078 50 0 BEAARN C[C@H]1CN(C(=O)c2cccs2)C(C)(C)CO1 ZINC000036075957 177229216 /nfs/dbraw/zinc/22/92/16/177229216.db2.gz HNNJDXUMQBZHAW-VIFPVBQESA-N 0 0 239.340 2.388 50 0 BEAARN C[C@H]1CN(C)c2ccccc2CN1C(=O)C1CC1 ZINC000075107292 177240004 /nfs/dbraw/zinc/24/00/04/177240004.db2.gz UQNKCDKXVOEEEW-NSHDSACASA-N 0 0 244.338 2.264 50 0 BEAARN C[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000023114962 177263152 /nfs/dbraw/zinc/26/31/52/177263152.db2.gz JUCOHXGUMPVRQS-QWRGUYRKSA-N 0 0 249.310 2.025 50 0 BEAARN C[C@H]1CN(Cc2cccc(O)c2)C[C@H](C)O1 ZINC000084827841 177264179 /nfs/dbraw/zinc/26/41/79/177264179.db2.gz PHPCNJRMDITAOG-QWRGUYRKSA-N 0 0 221.300 2.001 50 0 BEAARN C[C@H]1CN(Cc2cccc(O)c2)C(C)(C)CO1 ZINC000097139401 177264500 /nfs/dbraw/zinc/26/45/00/177264500.db2.gz BGKAKNWJGDXPAZ-NSHDSACASA-N 0 0 235.327 2.392 50 0 BEAARN C[C@H]1CN(Cc2ccon2)CCC1(F)F ZINC000289755135 177267574 /nfs/dbraw/zinc/26/75/74/177267574.db2.gz KKAHLDOTTPSPFB-QMMMGPOBSA-N 0 0 216.231 2.152 50 0 BEAARN C[C@H]1CN(c2nc3ccccc3o2)C[C@H](C)O1 ZINC000012936346 177278126 /nfs/dbraw/zinc/27/81/26/177278126.db2.gz YQNNYXSTVAYHMT-UWVGGRQHSA-N 0 0 232.283 2.441 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccoc2)C1 ZINC000040480552 177312122 /nfs/dbraw/zinc/31/21/22/177312122.db2.gz ZEQJSJVYKOXNKP-AOOOYVTPSA-N 0 0 207.273 2.398 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCCS2)C1 ZINC000358008076 177312243 /nfs/dbraw/zinc/31/22/43/177312243.db2.gz ASXBGDCXNBEYGB-OUAUKWLOSA-N 0 0 227.373 2.387 50 0 BEAARN O=C(CCC1CCCC1)NC[C@@H]1CCCO1 ZINC000001217950 487637875 /nfs/dbraw/zinc/63/78/75/487637875.db2.gz CZMGFDDSABKECR-LBPRGKRZSA-N 0 0 225.332 2.252 50 0 BEAARN C[C@H]1C[C@H](O)CCN1C(=O)OCc1ccccc1 ZINC000059868429 177372757 /nfs/dbraw/zinc/37/27/57/177372757.db2.gz LGJNBRYQEIZFMK-WCQYABFASA-N 0 0 249.310 2.168 50 0 BEAARN C[C@H]1C[C@H](Sc2ccccc2)C(=O)O1 ZINC000032736087 177374546 /nfs/dbraw/zinc/37/45/46/177374546.db2.gz BFJMPYZVXRHURN-WPRPVWTQSA-N 0 0 208.282 2.483 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000032975424 177376171 /nfs/dbraw/zinc/37/61/71/177376171.db2.gz UPIKJVYTQDOKCW-GXFFZTMASA-N 0 0 215.296 2.227 50 0 BEAARN C[C@H]1Cc2cc(Br)ccc2C(=O)N1 ZINC000118220338 177387968 /nfs/dbraw/zinc/38/79/68/177387968.db2.gz DGUKGSUONYQZOR-LURJTMIESA-N 0 0 240.100 2.124 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)N(C)C ZINC000103596485 177390001 /nfs/dbraw/zinc/39/00/01/177390001.db2.gz FZCJAUHUIMNICA-VIFPVBQESA-N 0 0 204.273 2.119 50 0 BEAARN C[Si]1(c2ccccc2)CCCCC1=O ZINC000169794782 177500310 /nfs/dbraw/zinc/50/03/10/177500310.db2.gz IUAXIKXNYUWSIQ-UHFFFAOYSA-N 0 0 204.345 2.264 50 0 BEAARN Cc1[nH]c(C)c2c1cnn(-c1ccccc1)c2=O ZINC000013131332 177506564 /nfs/dbraw/zinc/50/65/64/177506564.db2.gz FRFFFZFKWKXRNP-UHFFFAOYSA-N 0 0 239.278 2.331 50 0 BEAARN Cc1c(Cl)cccc1NC(=S)NN(C)C ZINC000000098268 177602056 /nfs/dbraw/zinc/60/20/56/177602056.db2.gz SLIWTAGPVBZZEG-UHFFFAOYSA-N 0 0 243.763 2.411 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000249309262 487644230 /nfs/dbraw/zinc/64/42/30/487644230.db2.gz HUEKXTQTVHOCEQ-WXHSDQCUSA-N 0 0 230.311 2.401 50 0 BEAARN OCCSCc1ccc(-c2cc[nH]n2)cc1 ZINC000426434420 487649292 /nfs/dbraw/zinc/64/92/92/487649292.db2.gz GSJXSNGMJGGAAW-UHFFFAOYSA-N 0 0 234.324 2.302 50 0 BEAARN O=C1NC[C@@H](COc2ccc3ccccc3c2)O1 ZINC000000267540 229346433 /nfs/dbraw/zinc/34/64/33/229346433.db2.gz KRHJBRYYXBRYFE-ZDUSSCGKSA-N 0 0 243.262 2.327 50 0 BEAARN CC[C@@H](CO)NC(=O)NC1CCCCCCC1 ZINC000047601369 487794639 /nfs/dbraw/zinc/79/46/39/487794639.db2.gz CUDSZCBRMSHWJP-NSHDSACASA-N 0 0 242.363 2.169 50 0 BEAARN CC(=O)CC(=O)O[C@H](C)c1ccccc1 ZINC000002007128 526395262 /nfs/dbraw/zinc/39/52/62/526395262.db2.gz GSBJXOIVIOYPOW-SNVBAGLBSA-N 0 0 206.241 2.270 50 0 BEAARN CCOc1cc(NCc2ncccc2F)ncn1 ZINC000097096879 487828996 /nfs/dbraw/zinc/82/89/96/487828996.db2.gz FOPHYFZKYRWNGA-UHFFFAOYSA-N 0 0 248.261 2.022 50 0 BEAARN CC[C@@H](C)OCC(=O)Nc1ccc(O)cc1F ZINC000097238343 322986545 /nfs/dbraw/zinc/98/65/45/322986545.db2.gz SZVACIXSOKYWCP-MRVPVSSYSA-N 0 0 241.262 2.285 50 0 BEAARN C[C@@H](COc1ccccc1)[NH2+]C1(C(=O)[O-])CCC1 ZINC000534581294 323153859 /nfs/dbraw/zinc/15/38/59/323153859.db2.gz VNNSIROCCWEYNC-NSHDSACASA-N 0 0 249.310 2.051 50 0 BEAARN CC(C)c1cc(CN[C@@H](C)Cn2ccnc2)no1 ZINC000534665362 323158439 /nfs/dbraw/zinc/15/84/39/323158439.db2.gz AGKKLQAFHXRDNX-NSHDSACASA-N 0 0 248.330 2.173 50 0 BEAARN Cc1cc(-c2ccc3c(c2)CN(C)C(=O)N3)n[nH]1 ZINC000534676321 323159235 /nfs/dbraw/zinc/15/92/35/323159235.db2.gz ZPSPXEHIEFUIPJ-UHFFFAOYSA-N 0 0 242.282 2.362 50 0 BEAARN CS[C@H](C)C(=O)NCCCOC1CCCC1 ZINC000128210034 323172309 /nfs/dbraw/zinc/17/23/09/323172309.db2.gz YOOTZFDAXDALLO-SNVBAGLBSA-N 0 0 245.388 2.203 50 0 BEAARN CC[N@H+](Cc1ccc(C(=O)[O-])cn1)C(C)C ZINC000087223923 323237358 /nfs/dbraw/zinc/23/73/58/323237358.db2.gz ZUGXIHBPJDTOSH-UHFFFAOYSA-N 0 0 222.288 2.010 50 0 BEAARN COc1cc(Cn2ccnn2)ccc1SC ZINC000128031338 324801238 /nfs/dbraw/zinc/80/12/38/324801238.db2.gz LSMOOAXOHFDBST-UHFFFAOYSA-N 0 0 235.312 2.057 50 0 BEAARN C[C@H]1c2cccn2CCN1C(=O)c1cccn1C ZINC000069420526 324946790 /nfs/dbraw/zinc/94/67/90/324946790.db2.gz GCBBKZDBUHBOMD-NSHDSACASA-N 0 0 243.310 2.044 50 0 BEAARN COCCNC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000254287562 325740502 /nfs/dbraw/zinc/74/05/02/325740502.db2.gz AVYPWRJOVBGKBG-INCYKZHSSA-N 0 0 249.310 2.179 50 0 BEAARN Cc1ccc(CCNc2nc(C)cc(C)n2)cn1 ZINC000084191254 488035013 /nfs/dbraw/zinc/03/50/13/488035013.db2.gz IDWNFBSYCWOGHJ-UHFFFAOYSA-N 0 0 242.326 2.451 50 0 BEAARN CCN(C(=S)NC1CC1)C1CCCC1 ZINC000084761158 488093060 /nfs/dbraw/zinc/09/30/60/488093060.db2.gz PYOLYPQYHRLGGT-UHFFFAOYSA-N 0 0 212.362 2.288 50 0 BEAARN CCOC(=O)[C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C ZINC000084791181 488097428 /nfs/dbraw/zinc/09/74/28/488097428.db2.gz XNAKQQFUKBGYFY-NXEZZACHSA-N 0 0 243.347 2.127 50 0 BEAARN Cc1n[nH]cc1Nc1c(F)c(F)nc(F)c1F ZINC000080918224 487491573 /nfs/dbraw/zinc/49/15/73/487491573.db2.gz JIKOWCINERYVEN-UHFFFAOYSA-N 0 0 246.167 2.413 50 0 BEAARN Cc1nc(CN(C)Cc2ccnc(C)c2)c[nH]1 ZINC000670464635 487517456 /nfs/dbraw/zinc/51/74/56/487517456.db2.gz PJWYUAXVEBMDJF-UHFFFAOYSA-N 0 0 230.315 2.054 50 0 BEAARN CCOC(=O)C(C)(C)[C@@H](O)c1ccccc1 ZINC000005325021 487951152 /nfs/dbraw/zinc/95/11/52/487951152.db2.gz OJOQOQPPMWKWGZ-NSHDSACASA-N 0 0 222.284 2.309 50 0 BEAARN CONC(=O)N[C@@H](C)CCCC(C)C ZINC000084510301 488221811 /nfs/dbraw/zinc/22/18/11/488221811.db2.gz KKZILNMEANYMGF-VIFPVBQESA-N 0 0 202.298 2.062 50 0 BEAARN C[NH+](C)[C@H](CCC(=O)[O-])c1ccccc1 ZINC000074181516 490299531 /nfs/dbraw/zinc/29/95/31/490299531.db2.gz PSNMTLWWWOSUDP-LLVKDONJSA-N 0 0 207.273 2.154 50 0 BEAARN CCCCOC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000008625737 491087111 /nfs/dbraw/zinc/08/71/11/491087111.db2.gz VOTJGWSQELUWHD-UHFFFAOYSA-N 0 0 245.278 2.485 50 0 BEAARN CC(C)c1cnc(N2CC[C@H](C(C)(C)O)C2)nc1 ZINC000670459554 491106416 /nfs/dbraw/zinc/10/64/16/491106416.db2.gz UGQAZMLZMVETET-LBPRGKRZSA-N 0 0 249.358 2.197 50 0 BEAARN Cc1cc(COC(=O)c2cc(C)ccc2O)no1 ZINC000008944959 491106835 /nfs/dbraw/zinc/10/68/35/491106835.db2.gz BYTXRFBWVKXEAL-UHFFFAOYSA-N 0 0 247.250 2.354 50 0 BEAARN CC(C)(C)OC(=O)C1=CCC(=O)S1 ZINC000261494136 491106925 /nfs/dbraw/zinc/10/69/25/491106925.db2.gz QRWQABDCCPLDQT-UHFFFAOYSA-N 0 0 200.259 2.409 50 0 BEAARN Cc1cnc(C)c(N2CC(c3ccncc3)C2)n1 ZINC000072133733 491122318 /nfs/dbraw/zinc/12/23/18/491122318.db2.gz PXYQUQNYUGGRNP-UHFFFAOYSA-N 0 0 240.310 2.092 50 0 BEAARN CCCc1nnc2sc(-c3ccco3)nn12 ZINC000006719519 517622174 /nfs/dbraw/zinc/62/21/74/517622174.db2.gz BEYNVURUARSMGU-UHFFFAOYSA-N 0 0 234.284 2.398 50 0 BEAARN O=C1Nc2ccc(F)cc2C12SCCS2 ZINC000001074337 518202643 /nfs/dbraw/zinc/20/26/43/518202643.db2.gz OUFKUJJPYFOWMZ-UHFFFAOYSA-N 0 0 241.312 2.411 50 0 BEAARN CC(C)(C(=O)N[C@@H]1CC[C@H](F)C1)C(F)F ZINC000335342748 534366030 /nfs/dbraw/zinc/36/60/30/534366030.db2.gz AVYZYOHYQLEXQA-NKWVEPMBSA-N 0 0 223.238 2.285 50 0 BEAARN CC(C)C[C@H](C(=O)Nc1cn[nH]c1)n1cccc1 ZINC000253412543 519292666 /nfs/dbraw/zinc/29/26/66/519292666.db2.gz RHTRREOWUHBPEN-GFCCVEGCSA-N 0 0 246.314 2.437 50 0 BEAARN CC(C)=CCCC(C)=CCNC(=O)c1cn[nH]n1 ZINC000072158609 519402053 /nfs/dbraw/zinc/40/20/53/519402053.db2.gz QEDYHYICLOBEMG-YRNVUSSQSA-N 0 0 248.330 2.227 50 0 BEAARN CC(C)CC[C@](C)(O)CNC(=O)C1CC=CC1 ZINC000075128849 519695338 /nfs/dbraw/zinc/69/53/38/519695338.db2.gz DGVVOHHHBRRXHO-AWEZNQCLSA-N 0 0 239.359 2.256 50 0 BEAARN CC(=O)OC[C@]12CO[C@](C)(C[C@H]1C)C[C@@H]2C ZINC000239433507 519756761 /nfs/dbraw/zinc/75/67/61/519756761.db2.gz XUKHTJZFVQWUKR-NIFPGPBJSA-N 0 0 226.316 2.391 50 0 biogenic BEAARN CCCNC(=O)CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000241170935 519877193 /nfs/dbraw/zinc/87/71/93/519877193.db2.gz KCYFXQCUXXEMER-DOMZBBRYSA-N 0 0 246.354 2.206 50 0 BEAARN CCOCCN(C)C(=O)NC[C@@H]1CC=CCC1 ZINC000093403491 519903337 /nfs/dbraw/zinc/90/33/37/519903337.db2.gz MRYOAWHWJDXZBT-GFCCVEGCSA-N 0 0 240.347 2.021 50 0 BEAARN CCOCCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245405452 519925168 /nfs/dbraw/zinc/92/51/68/519925168.db2.gz SXPHZRKYIZFDIU-UKRRQHHQSA-N 0 0 249.354 2.485 50 0 BEAARN CCCNc1nnc(SCC(C)(C)O)s1 ZINC000078489850 520199899 /nfs/dbraw/zinc/19/98/99/520199899.db2.gz ARMGPBVEUNOIQZ-UHFFFAOYSA-N 0 0 247.389 2.223 50 0 BEAARN CCC[C@@H](C)c1cn(CCn2cccn2)nn1 ZINC000091486658 520675116 /nfs/dbraw/zinc/67/51/16/520675116.db2.gz KMLZGGWQDKJRSD-LLVKDONJSA-N 0 0 233.319 2.078 50 0 BEAARN CC1(NC(=O)NCCCc2ccccn2)CCC1 ZINC000179631814 520759146 /nfs/dbraw/zinc/75/91/46/520759146.db2.gz CLZAWHAQHNISQG-UHFFFAOYSA-N 0 0 247.342 2.256 50 0 BEAARN CCCC[C@H](CC)C(=O)NCc1nc(C)no1 ZINC000069893212 521160030 /nfs/dbraw/zinc/16/00/30/521160030.db2.gz ANQQGOGNAOHTKX-JTQLQIEISA-N 0 0 239.319 2.211 50 0 BEAARN CCN(Cc1noc(C)n1)Cc1ccncc1C ZINC000244852937 521468494 /nfs/dbraw/zinc/46/84/94/521468494.db2.gz VCGJPCDHQLBFPQ-UHFFFAOYSA-N 0 0 246.314 2.104 50 0 BEAARN COCc1cccc(CNC(=O)C2CCC2)c1 ZINC000040108426 523043499 /nfs/dbraw/zinc/04/34/99/523043499.db2.gz SAEOWZMOLJGISY-UHFFFAOYSA-N 0 0 233.311 2.249 50 0 BEAARN COc1ccccc1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246686244 524479996 /nfs/dbraw/zinc/47/99/96/524479996.db2.gz DLKBMNALTSMEOM-IMRBUKKESA-N 0 0 245.322 2.358 50 0 BEAARN O=C1NC[C@H](COc2ccc3ccccc3c2)O1 ZINC000000267538 534786963 /nfs/dbraw/zinc/78/69/63/534786963.db2.gz KRHJBRYYXBRYFE-CYBMUJFWSA-N 0 0 243.262 2.327 50 0 BEAARN C[C@H](NC(=O)C1CC=CC1)c1nc(C2CC2)no1 ZINC000244758109 524905631 /nfs/dbraw/zinc/90/56/31/524905631.db2.gz OSOQTLZBCNFWAX-QMMMGPOBSA-N 0 0 247.298 2.090 50 0 BEAARN CSC1(CNc2ncccn2)CCC1 ZINC000227987756 525342156 /nfs/dbraw/zinc/34/21/56/525342156.db2.gz JJHNZHAIJRJZJC-UHFFFAOYSA-N 0 0 209.318 2.174 50 0 BEAARN C[C@@H](c1ccncc1)N(C)Cc1ccc(CO)o1 ZINC000183709692 526153254 /nfs/dbraw/zinc/15/32/54/526153254.db2.gz USMVJVSPQLKJEC-NSHDSACASA-N 0 0 246.310 2.360 50 0 BEAARN O=C(NCC[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccco1 ZINC000089794479 526382066 /nfs/dbraw/zinc/38/20/66/526382066.db2.gz QIEGNWXQQIJIHU-SDDRHHMPSA-N 0 0 249.310 2.068 50 0 BEAARN O=C(CC[C@@H]1CCCO1)NCC1CCCC1 ZINC000040509775 526556444 /nfs/dbraw/zinc/55/64/44/526556444.db2.gz GVIZWMABSBJHFW-LBPRGKRZSA-N 0 0 225.332 2.252 50 0 BEAARN O=C(NCc1ccncc1)NC[C@H]1CC=CCC1 ZINC000060128057 526791905 /nfs/dbraw/zinc/79/19/05/526791905.db2.gz DYUFTRGDDGJSFK-LBPRGKRZSA-N 0 0 245.326 2.237 50 0 BEAARN O=C1C[C@H](c2ccc(Br)cc2)N1 ZINC000084128147 527031973 /nfs/dbraw/zinc/03/19/73/527031973.db2.gz YSIKXVRYGIZALB-MRVPVSSYSA-N 0 0 226.073 2.010 50 0 BEAARN O=C(Cc1ccccc1F)NCc1cccnc1 ZINC000019897689 527290461 /nfs/dbraw/zinc/29/04/61/527290461.db2.gz UNAPYNVNLBWBMP-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN Cn1ccsc1=NC(=O)Nc1ccccc1 ZINC000254827198 527473866 /nfs/dbraw/zinc/47/38/66/527473866.db2.gz KWALDNQIQIFHQI-UHFFFAOYSA-N 0 0 233.296 2.219 50 0 BEAARN CC1(C)COC2(C[C@H]3CC(=O)C[C@@H]3C2)OC1 ZINC000039434334 529131012 /nfs/dbraw/zinc/13/10/12/529131012.db2.gz DPGJBUWFVDJWGF-NXEZZACHSA-N 0 0 224.300 2.145 50 0 BEAARN CC[C@@H]1CN(Cc2cnc(C)cn2)CCS1 ZINC000078947902 535866205 /nfs/dbraw/zinc/86/62/05/535866205.db2.gz XQQRXPKCDWLJIY-GFCCVEGCSA-N 0 0 237.372 2.112 50 0 BEAARN COC1(OC)CCN(c2ccccc2F)CC1 ZINC000000337371 536697106 /nfs/dbraw/zinc/69/71/06/536697106.db2.gz KIKZIAQEPDLOCW-UHFFFAOYSA-N 0 0 239.290 2.415 50 0 BEAARN COC(=O)c1ccccc1N1CCCCC1 ZINC000001038018 536819211 /nfs/dbraw/zinc/81/92/11/536819211.db2.gz PQJQUCKCUILXOK-UHFFFAOYSA-N 0 0 219.284 2.464 50 0 BEAARN COc1cc(N2CCCCC2)ccc1C=O ZINC000004245511 536827865 /nfs/dbraw/zinc/82/78/65/536827865.db2.gz UQLSSMROJICTRN-UHFFFAOYSA-N 0 0 219.284 2.498 50 0 BEAARN Cc1nc[nH]c1CN1CCc2ccccc2C1 ZINC000000216852 560177672 /nfs/dbraw/zinc/17/76/72/560177672.db2.gz YMDNLKUYUOOVMM-UHFFFAOYSA-N 0 0 227.311 2.276 50 0 in-vitro BEAARN C=CC(=O)NCc1cc2c(s1)CCSC2 ZINC000888102162 583181734 /nfs/dbraw/zinc/18/17/34/583181734.db2.gz KIVKAJGLPGZCAW-UHFFFAOYSA-N 0 0 239.365 2.340 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@@]12OC[C@@H](CO)O2 ZINC000031475157 574414032 /nfs/dbraw/zinc/41/40/32/574414032.db2.gz ZBJCYZPANVLBRK-LPWJVIDDSA-N 0 0 228.332 2.183 50 0 endogenous,in-man BEAARN CCCC(=O)c1nc(C2OCCO2)cs1 ZINC000757122994 582498265 /nfs/dbraw/zinc/49/82/65/582498265.db2.gz HQEFWGXGQPAFEA-UHFFFAOYSA-N 0 0 227.285 2.171 50 0 BEAARN Cc1ccc(Cl)cc1[C@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757193418 582557609 /nfs/dbraw/zinc/55/76/09/582557609.db2.gz PBROJHRCSVDVLL-GHMZBOCLSA-N 0 0 239.702 2.036 50 0 BEAARN COc1cc(=O)oc(C)c1C(=O)c1ccccc1 ZINC000000715588 583169879 /nfs/dbraw/zinc/16/98/79/583169879.db2.gz CVGTYULROGGBMU-UHFFFAOYSA-N 0 0 244.246 2.188 50 0 BEAARN CCn1nccc1/C=C(/C)c1cccnn1 ZINC000888093432 583180298 /nfs/dbraw/zinc/18/02/98/583180298.db2.gz NNFSEFDKFFXEFE-KTKRTIGZSA-N 0 0 214.272 2.254 50 0 BEAARN C=CC(=O)Nc1c2c(nn1C(C)C)CCC2 ZINC000888098877 583181243 /nfs/dbraw/zinc/18/12/43/583181243.db2.gz VSWXAWLKCQFIOQ-UHFFFAOYSA-N 0 0 219.288 2.077 50 0 BEAARN C=CC(=O)N1CC(Cc2ccccc2F)C1 ZINC000888102113 583181631 /nfs/dbraw/zinc/18/16/31/583181631.db2.gz AZUWEYQILNVLOM-UHFFFAOYSA-N 0 0 219.259 2.013 50 0 BEAARN c1sc(-c2ccncn2)nc1[C@H]1CCOC1 ZINC000888102028 583181961 /nfs/dbraw/zinc/18/19/61/583181961.db2.gz UXZXAISWEZYONM-QMMMGPOBSA-N 0 0 233.296 2.104 50 0 BEAARN C=CC(=O)NC1CCC2(CCOCC2)CC1 ZINC000888102192 583181963 /nfs/dbraw/zinc/18/19/63/583181963.db2.gz OOMRAHZWZJONPX-UHFFFAOYSA-N 0 0 223.316 2.028 50 0 BEAARN CCc1noc(-c2nc(-c3ccsc3)no2)n1 ZINC000888104328 583185043 /nfs/dbraw/zinc/18/50/43/583185043.db2.gz CKQJCFIJRFNOFT-UHFFFAOYSA-N 0 0 248.267 2.411 50 0 BEAARN CC(C)C[C@@H](C(=O)Nc1cc[nH]n1)n1cccc1 ZINC000888104946 583185206 /nfs/dbraw/zinc/18/52/06/583185206.db2.gz RMROQDLVXSSDEQ-NSHDSACASA-N 0 0 246.314 2.437 50 0 BEAARN COc1ccnc(-c2ccc3c(c2)CCN3C)n1 ZINC000685944968 583209483 /nfs/dbraw/zinc/20/94/83/583209483.db2.gz LLUYODSXDOSDCY-UHFFFAOYSA-N 0 0 241.294 2.145 50 0 BEAARN COC(=O)/C=C/c1ccc(Cl)c(N)c1 ZINC000147315690 583435787 /nfs/dbraw/zinc/43/57/87/583435787.db2.gz OEGGRABXGSVTNF-HWKANZROSA-N 0 0 211.648 2.108 50 0 BEAARN CSC[C@H](C)C(=O)Nc1c[nH]nc1Cl ZINC000774219976 585654173 /nfs/dbraw/zinc/65/41/73/585654173.db2.gz REALHNZLUKUOJD-YFKPBYRVSA-N 0 0 233.724 2.001 50 0 BEAARN C=CC(=O)N1CCC(OC2CCCC2)CC1 ZINC000791343111 585978110 /nfs/dbraw/zinc/97/81/10/585978110.db2.gz MKSSHDFSHGZIEV-UHFFFAOYSA-N 0 0 223.316 2.123 50 0 BEAARN C=CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000791351120 585978416 /nfs/dbraw/zinc/97/84/16/585978416.db2.gz OLWGUZNSBCSWBN-LLVKDONJSA-N 0 0 245.278 2.265 50 0 BEAARN C=CC(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000791369595 585979238 /nfs/dbraw/zinc/97/92/38/585979238.db2.gz AALSTSHWSIMFQS-NWDGAFQWSA-N 0 0 237.343 2.417 50 0 BEAARN C=CC(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000791377751 585979442 /nfs/dbraw/zinc/97/94/42/585979442.db2.gz VGSJLFHHQXFYQQ-MNOVXSKESA-N 0 0 223.316 2.026 50 0 BEAARN O=C([O-])[C@@H]1CC[C@H](C2CCCCC2)[NH2+]C1 ZINC000107470189 588367154 /nfs/dbraw/zinc/36/71/54/588367154.db2.gz NXAYXNDUQHLYJA-GHMZBOCLSA-N 0 0 211.305 2.020 50 0 BEAARN O=C([O-])[C@@H]1CCC[NH2+][C@H]1C1CCCCC1 ZINC000107470336 588367363 /nfs/dbraw/zinc/36/73/63/588367363.db2.gz CBOZOKCIVVNMIY-MNOVXSKESA-N 0 0 211.305 2.020 50 0 BEAARN C=CC(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000848979277 588423170 /nfs/dbraw/zinc/42/31/70/588423170.db2.gz SIIAIULXXQPGLK-NSHDSACASA-N 0 0 231.295 2.197 50 0 BEAARN C=CC(=O)N1CCCc2cccc(F)c21 ZINC000848979581 588423261 /nfs/dbraw/zinc/42/32/61/588423261.db2.gz SEBFAHXGKSBSER-UHFFFAOYSA-N 0 0 205.232 2.291 50 0 BEAARN C=CC(=O)NC1CCC2(CC2(F)F)CC1 ZINC000863970148 589327926 /nfs/dbraw/zinc/32/79/26/589327926.db2.gz BNZRHODCJBVJRQ-UHFFFAOYSA-N 0 0 215.243 2.257 50 0 BEAARN C=CC(=O)N1CCCc2ccc(OC)cc21 ZINC000863971011 589330248 /nfs/dbraw/zinc/33/02/48/589330248.db2.gz ATEFXCBOIQRXOF-UHFFFAOYSA-N 0 0 217.268 2.160 50 0 BEAARN C=CC(=O)NC[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000863971322 589330499 /nfs/dbraw/zinc/33/04/99/589330499.db2.gz OSVUTGFALIANQR-STQMWFEESA-N 0 0 231.295 2.209 50 0 BEAARN CC(C)CNc1cnn(-c2ccccn2)c1 ZINC000124701072 590075941 /nfs/dbraw/zinc/07/59/41/590075941.db2.gz ZGCVUACZPYBSMW-UHFFFAOYSA-N 0 0 216.288 2.335 50 0 BEAARN COCCOc1c(N)cccc1Br ZINC000126720712 590427385 /nfs/dbraw/zinc/42/73/85/590427385.db2.gz HFWULLVCZKPZSX-UHFFFAOYSA-N 0 0 246.104 2.057 50 0 BEAARN Cc1occc1C(=O)N1CC(c2ccncc2)C1 ZINC000072120802 592272521 /nfs/dbraw/zinc/27/25/21/592272521.db2.gz CSJKVGDEHWBKIM-UHFFFAOYSA-N 0 0 242.278 2.223 50 0 BEAARN CC(C)(C)[C@H]1CCc2nc(N)ncc2C1 ZINC000075606788 592313236 /nfs/dbraw/zinc/31/32/36/592313236.db2.gz NRRCYDPROOLRBJ-VIFPVBQESA-N 0 0 205.305 2.210 50 0 BEAARN CC(C)[C@@H](C)NC(=O)/C=C\c1cccnc1 ZINC000103396095 592578029 /nfs/dbraw/zinc/57/80/29/592578029.db2.gz WILOEAMHAGEOSR-JMEBYUIHSA-N 0 0 218.300 2.256 50 0 BEAARN CCCCOc1ccc(C=Nn2cnnc2)cc1 ZINC000008779086 592733912 /nfs/dbraw/zinc/73/39/12/592733912.db2.gz ZMQKTFRLEBKHEZ-UHFFFAOYSA-N 0 0 244.298 2.339 50 0 BEAARN CCCCNC(=O)c1ccc2c(c1)CCO2 ZINC000045132143 634484240 /nfs/dbraw/zinc/48/42/40/634484240.db2.gz GZVXBYVKAZVYRG-UHFFFAOYSA-N 0 0 219.284 2.151 50 0 BEAARN Oc1ccc(/C=C\c2ccnnc2)cc1F ZINC000888105364 635395873 /nfs/dbraw/zinc/39/58/73/635395873.db2.gz QMRXIWWNDYEDKD-UPHRSURJSA-N 0 0 216.215 2.492 50 0 BEAARN C=CC(=O)NCc1ccc2ccccc2n1 ZINC000219062199 631512464 /nfs/dbraw/zinc/51/24/64/631512464.db2.gz DBIWWXDAAKTXTQ-UHFFFAOYSA-N 0 0 212.252 2.037 50 0 BEAARN O=C(Nc1ccccc1)NC1=CC=CN=CO1 ZINC000022779520 631643342 /nfs/dbraw/zinc/64/33/42/631643342.db2.gz HMYVAHRREBQWHS-UHFFFAOYSA-N 0 0 229.239 2.222 50 0 BEAARN CN(C)[S@@](=N)(=O)c1ccc(Cl)cc1 ZINC000104972055 635162361 /nfs/dbraw/zinc/16/23/61/635162361.db2.gz ZLWSNZFMSKHWEJ-CYBMUJFWSA-N 0 0 218.709 2.222 50 0 BEAARN CC(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000005881305 635270732 /nfs/dbraw/zinc/27/07/32/635270732.db2.gz UBIQSDGAORMRPX-MRVPVSSYSA-N 0 0 222.240 2.082 50 0 BEAARN CCCc1nccn1-c1cncc(OC)c1 ZINC000071745513 635277234 /nfs/dbraw/zinc/27/72/34/635277234.db2.gz HCEXEJWYRZIJJY-UHFFFAOYSA-N 0 0 217.272 2.228 50 0 BEAARN C=CC(=O)N[C@@H](C)[C@@H]1Cc2ccccc21 ZINC000888098617 635376461 /nfs/dbraw/zinc/37/64/61/635376461.db2.gz QWDHKZHMPLMIJC-CABZTGNLSA-N 0 0 201.269 2.017 50 0 BEAARN COCCOC(=O)/C=C/c1nc2ccccc2o1 ZINC000095946878 636940097 /nfs/dbraw/zinc/94/00/97/636940097.db2.gz SQHBYGIKDSGYDZ-VOTSOKGWSA-N 0 0 247.250 2.031 50 0 BEAARN CC1(C)CC(=O)N(Cc2ccccc2)[C@@]1(C)O ZINC000006617166 636976373 /nfs/dbraw/zinc/97/63/73/636976373.db2.gz QLALGABCBOWXEQ-AWEZNQCLSA-N 0 0 233.311 2.154 50 0 BEAARN CC[C@H](C)[C@H](N=C=O)C(=O)OC(C)(C)C ZINC000149295627 638297170 /nfs/dbraw/zinc/29/71/70/638297170.db2.gz NTVCJSDRIHUXNL-IUCAKERBSA-N 0 0 213.277 2.079 50 0 BEAARN CC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000675064353 640962645 /nfs/dbraw/zinc/96/26/45/640962645.db2.gz YHCBKZHNTSTSNT-VIFPVBQESA-N 0 0 210.660 2.480 50 0 BEAARN COc1ccc(-c2n[nH]c(C)n2)cc1C ZINC000065399053 711501859 /nfs/dbraw/zinc/50/18/59/711501859.db2.gz BVIVOKXMOZHZLA-UHFFFAOYSA-N 0 0 203.245 2.097 50 0 BEAARN C[C@H](CCCC(C)(C)O)CC1OCCO1 ZINC000002493653 642392514 /nfs/dbraw/zinc/39/25/14/642392514.db2.gz XATGLXMRSQHYNB-SNVBAGLBSA-N 0 0 216.321 2.327 50 0 BEAARN NC(=O)c1cccc2c3ccccc3[nH]c21 ZINC000002495995 642399995 /nfs/dbraw/zinc/39/99/95/642399995.db2.gz GFHHIWFKWFBNRU-UHFFFAOYSA-N 0 0 210.236 2.420 50 0 BEAARN Cn1cc(Br)c(-c2ccccn2)n1 ZINC000071779932 642464544 /nfs/dbraw/zinc/46/45/44/642464544.db2.gz UHMZJHDTYSMPLW-UHFFFAOYSA-N 0 0 238.088 2.245 50 0 BEAARN CCC[C@@H]1NC(=S)N(c2ccccc2)N1 ZINC000000276517 642765172 /nfs/dbraw/zinc/76/51/72/642765172.db2.gz DSSSGHUHYYKKGC-SNVBAGLBSA-N 0 0 221.329 2.012 50 0 BEAARN C[C@H]1O[PH]2(O[C@H](C)[C@H](C)O2)O[C@H]1C ZINC000015636110 642924188 /nfs/dbraw/zinc/92/41/88/642924188.db2.gz USZIXCLPMCTBKB-KVFPUHGPSA-N 0 0 208.194 2.044 50 0 BEAARN COc1cc(Br)cc2c1OCC2=O ZINC000116687746 643023286 /nfs/dbraw/zinc/02/32/86/643023286.db2.gz CNZKKTWGHZNMHW-UHFFFAOYSA-N 0 0 243.056 2.033 50 0 BEAARN Cn1cncc1-c1cccc(-c2cc[nH]n2)c1 ZINC000019145924 643039564 /nfs/dbraw/zinc/03/95/64/643039564.db2.gz FXBWKYAGOYXJNL-UHFFFAOYSA-N 0 0 224.267 2.477 50 0 BEAARN O=C([O-])[C@H]1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000074148227 643651725 /nfs/dbraw/zinc/65/17/25/643651725.db2.gz ODFLYTQSBJFZEJ-QWRGUYRKSA-N 0 0 211.305 2.020 50 0 BEAARN O=C([O-])[C@H]1CCC[NH2+][C@@H]1C1CCCCC1 ZINC000074148220 644271027 /nfs/dbraw/zinc/27/10/27/644271027.db2.gz CBOZOKCIVVNMIY-WDEREUQCSA-N 0 0 211.305 2.020 50 0 BEAARN O=C([O-])[C@H]1C[C@H](C2CCCCC2)CC[NH2+]1 ZINC000074148211 644271362 /nfs/dbraw/zinc/27/13/62/644271362.db2.gz HRHIKSLSMMWSSH-GHMZBOCLSA-N 0 0 211.305 2.020 50 0 BEAARN COc1ccc(OC)c(-c2cc(CO)ccn2)c1 ZINC000952964977 644446011 /nfs/dbraw/zinc/44/60/11/644446011.db2.gz AZMADLQVDOGJEL-UHFFFAOYSA-N 0 0 245.278 2.258 50 0 BEAARN CC(C)NC(=O)CC[C@H]1c2ccccc2NC1=O ZINC000952963677 644447208 /nfs/dbraw/zinc/44/72/08/644447208.db2.gz DBQVWLHEIZOJEI-NSHDSACASA-N 0 0 246.310 2.027 50 0 BEAARN CCCN(Cc1ccco1)C(=O)c1nccn1C ZINC000952977875 644448468 /nfs/dbraw/zinc/44/84/68/644448468.db2.gz PFSPCFUFGXYLLQ-UHFFFAOYSA-N 0 0 247.298 2.066 50 0 BEAARN Cc1cccc(Nc2ccc3nccn3n2)n1 ZINC000952993429 644451371 /nfs/dbraw/zinc/45/13/71/644451371.db2.gz UQWXFLKPDLPGBR-UHFFFAOYSA-N 0 0 225.255 2.176 50 0 BEAARN FC(F)Cn1ccc(NCc2cnsc2)n1 ZINC000952994552 644452152 /nfs/dbraw/zinc/45/21/52/644452152.db2.gz WUNXPUSYXWUGSB-UHFFFAOYSA-N 0 0 244.270 2.217 50 0 BEAARN O=C(CCl)NCc1cc2ccccc2[nH]1 ZINC000082276924 711805514 /nfs/dbraw/zinc/80/55/14/711805514.db2.gz QGLRIZWCDIFBID-UHFFFAOYSA-N 0 0 222.675 2.023 50 0 BEAARN C[C@H](c1nncn1-c1ccccc1)N1CCCC1 ZINC000067803020 710991860 /nfs/dbraw/zinc/99/18/60/710991860.db2.gz NIIRCKQFOMWWQL-GFCCVEGCSA-N 0 0 242.326 2.424 50 0 BEAARN Cc1cc(C)n([C@H]2CC(=O)CC[C@H]2C)n1 ZINC000725361872 711664404 /nfs/dbraw/zinc/66/44/04/711664404.db2.gz PYPZCFUNCZGBGA-PELKAZGASA-N 0 0 206.289 2.430 50 0 BEAARN C=CC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000863971073 711795798 /nfs/dbraw/zinc/79/57/98/711795798.db2.gz DHLLPZGVLHZJRS-NSHDSACASA-N 0 0 249.285 2.336 50 0 BEAARN Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(F)c1F ZINC000534656880 712112897 /nfs/dbraw/zinc/11/28/97/712112897.db2.gz QFQQTENLFRHXCJ-UHFFFAOYSA-N 0 0 238.193 2.141 50 0 BEAARN COc1cncc(-c2cccc(O)c2)c1 ZINC000156635090 712721467 /nfs/dbraw/zinc/72/14/67/712721467.db2.gz PSXJWYDHAQACRM-UHFFFAOYSA-N 0 0 201.225 2.463 50 0 BEAARN Cc1cccc(OC[C@H]2CCCCO2)n1 ZINC000585654082 1167043261 /nfs/dbraw/zinc/04/32/61/1167043261.db2.gz CLPZZIMLPLZNDF-LLVKDONJSA-N 0 0 207.273 2.338 50 0 BEAARN O=C1C[C@@H](c2ccc(Br)s2)CN1 ZINC000687739645 1169136308 /nfs/dbraw/zinc/13/63/08/1169136308.db2.gz AQVVXYCITHQFEI-RXMQYKEDSA-N 0 0 246.129 2.114 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2ccc(F)cn2)[C@H]1C ZINC000585086484 972123339 /nfs/dbraw/zinc/12/33/39/972123339.db2.gz NHKABYGOLKHDMH-SFYZADRCSA-N 0 0 223.251 2.093 50 0 BEAARN OC[C@@H]1Cc2ccccc2N1Cc1cscn1 ZINC000585094474 972135547 /nfs/dbraw/zinc/13/55/47/972135547.db2.gz LYRSLGSQJNZSOG-LBPRGKRZSA-N 0 0 246.335 2.067 50 0 BEAARN C[C@@H]1C[C@@H](Nc2cnn3ccccc23)CCO1 ZINC000585118546 972148208 /nfs/dbraw/zinc/14/82/08/972148208.db2.gz SYQFCKSBRBKFHI-MNOVXSKESA-N 0 0 231.299 2.314 50 0 BEAARN OCc1cc(F)ccc1-c1cn2c(n1)CCC2 ZINC000585120436 972151352 /nfs/dbraw/zinc/15/13/52/972151352.db2.gz NOMKZCFXAFQMKJ-UHFFFAOYSA-N 0 0 232.258 2.128 50 0 BEAARN Cc1cc(C(=O)Nc2c[nH]nc2C2CC2)ns1 ZINC000585130994 972167055 /nfs/dbraw/zinc/16/70/55/972167055.db2.gz ILBLQLBWLYIPLG-UHFFFAOYSA-N 0 0 248.311 2.304 50 0 BEAARN CC1(COc2cccc3ncoc32)COC1 ZINC000585138662 972168980 /nfs/dbraw/zinc/16/89/80/972168980.db2.gz AIWKNKOKKWTOMS-UHFFFAOYSA-N 0 0 219.240 2.243 50 0 BEAARN Cn1c2ccccc2nc1OC[C@@H]1CCCO1 ZINC000585651425 959540107 /nfs/dbraw/zinc/54/01/07/959540107.db2.gz MDSWFLWXINZIRF-JTQLQIEISA-N 0 0 232.283 2.131 50 0 BEAARN Cn1c(OC2CCSCC2)nc2cccnc21 ZINC000585655114 959546181 /nfs/dbraw/zinc/54/61/81/959546181.db2.gz RZZYDIXDPZCITP-UHFFFAOYSA-N 0 0 249.339 2.243 50 0 BEAARN CCC(=O)NCCc1ncc(C)n1C1CCCC1 ZINC000581815274 960306853 /nfs/dbraw/zinc/30/68/53/960306853.db2.gz AUGCTZUKJQCJBT-UHFFFAOYSA-N 0 0 249.358 2.375 50 0 BEAARN Cc1ccn(-c2cccc([C@@H](C)O)c2)n1 ZINC000199375640 963542906 /nfs/dbraw/zinc/54/29/06/963542906.db2.gz PALNPMVZZNIETA-SNVBAGLBSA-N 0 0 202.257 2.234 50 0 BEAARN COc1cc(-c2cccc(C)c2C)nc(N)n1 ZINC000032576307 965542864 /nfs/dbraw/zinc/54/28/64/965542864.db2.gz PEVCISQWQVGFNS-UHFFFAOYSA-N 0 0 229.283 2.351 50 0 BEAARN c1csc(Cc2n[nH]c(CN3CCCC3)n2)c1 ZINC000820414153 968472924 /nfs/dbraw/zinc/47/29/24/968472924.db2.gz KFIKBWDDWLJWHJ-UHFFFAOYSA-N 0 0 248.355 2.053 50 0 BEAARN CC(C)n1cnnc1[C@@H](C)NC(=O)C1CC=CC1 ZINC000822281037 968513908 /nfs/dbraw/zinc/51/39/08/968513908.db2.gz VSHBACOZJHLZKS-SNVBAGLBSA-N 0 0 248.330 2.002 50 0 BEAARN CCc1nc(-c2ccc(O)cn2)n(C(C)(C)C)n1 ZINC000823562737 968548468 /nfs/dbraw/zinc/54/84/68/968548468.db2.gz VNZITDVILNBWBJ-UHFFFAOYSA-N 0 0 246.314 2.363 50 0 BEAARN CC(C)CC(=O)N[C@H]1CCC12CCOCC2 ZINC000585409426 973908462 /nfs/dbraw/zinc/90/84/62/973908462.db2.gz RYEGVGDSFXKDRI-NSHDSACASA-N 0 0 225.332 2.108 50 0 BEAARN Cc1nc2ccccc2n1[C@H]1CC[C@H]1O ZINC000585298977 973918824 /nfs/dbraw/zinc/91/88/24/973918824.db2.gz XNCQQVKPUUFWOW-NWDGAFQWSA-N 0 0 202.257 2.041 50 0 BEAARN Cc1csc(OCC2CCOCC2)n1 ZINC000585652728 973920597 /nfs/dbraw/zinc/92/05/97/973920597.db2.gz UJSIRBIYSARTIK-UHFFFAOYSA-N 0 0 213.302 2.257 50 0 BEAARN Cc1ccnc(OC2CCSCC2)n1 ZINC000585650579 973921268 /nfs/dbraw/zinc/92/12/68/973921268.db2.gz BRPLLLFFMUKGJH-UHFFFAOYSA-N 0 0 210.302 2.059 50 0 BEAARN Cc1cc(OC2CCCC2)n2nccc2n1 ZINC000585653876 973924782 /nfs/dbraw/zinc/92/47/82/973924782.db2.gz AKVMIDPBSVKONO-UHFFFAOYSA-N 0 0 217.272 2.359 50 0 BEAARN Clc1cccnc1OC[C@@H]1CCCO1 ZINC000585655266 973924882 /nfs/dbraw/zinc/92/48/82/973924882.db2.gz ZLRMBJKPYKNWOY-QMMMGPOBSA-N 0 0 213.664 2.293 50 0 BEAARN Cc1cc2nc(C)cc(OCC3CC3)n2n1 ZINC000585654939 973925787 /nfs/dbraw/zinc/92/57/87/973925787.db2.gz NROMRGBMWLBBQT-UHFFFAOYSA-N 0 0 217.272 2.135 50 0 BEAARN Fc1cccnc1OC[C@H]1CCCOC1 ZINC000585655061 973926703 /nfs/dbraw/zinc/92/67/03/973926703.db2.gz XWQHEPSUUOMYDB-VIFPVBQESA-N 0 0 211.236 2.026 50 0 BEAARN c1cncc(-c2nc([C@H]3CCCCO3)no2)c1 ZINC000952883280 974060083 /nfs/dbraw/zinc/06/00/83/974060083.db2.gz YJDJLMRTOVEJCC-SNVBAGLBSA-N 0 0 231.255 2.373 50 0 BEAARN C=CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000952882300 974060359 /nfs/dbraw/zinc/06/03/59/974060359.db2.gz UZKVYHWJRKRVBV-NXEZZACHSA-N 0 0 237.324 2.270 50 0 BEAARN Cc1ncnc(NCc2cccnc2)c1C ZINC000670779721 987265947 /nfs/dbraw/zinc/26/59/47/987265947.db2.gz PVHQOWQUBDCUMJ-UHFFFAOYSA-N 0 0 214.272 2.101 50 0 BEAARN CN(CC[C@@H]1CCCCO1)C(=O)c1ccc[nH]1 ZINC001506404007 988771124 /nfs/dbraw/zinc/77/11/24/988771124.db2.gz DRWGZVSJJDSBNK-NSHDSACASA-N 0 0 236.315 2.046 50 0 BEAARN CCC(CC)n1nccc1NC(=O)c1ccno1 ZINC001506401055 988771301 /nfs/dbraw/zinc/77/13/01/988771301.db2.gz HUGHSKBGILERLG-UHFFFAOYSA-N 0 0 248.286 2.485 50 0 BEAARN CC[N@@H+](Cc1[nH]cnc1C)C[C@@H]1CCCCO1 ZINC001506404057 988774505 /nfs/dbraw/zinc/77/45/05/988774505.db2.gz RRPMVIAFETWKDW-LBPRGKRZSA-N 0 0 237.347 2.109 50 0 BEAARN Cc1ccc(NC(=O)CN2CC[C@@H]2C)cc1F ZINC001506418271 988777070 /nfs/dbraw/zinc/77/70/70/988777070.db2.gz PMJSHIAEYUGOSV-JTQLQIEISA-N 0 0 236.290 2.167 50 0 BEAARN C[C@@H](c1ccncc1)N(C)C(=O)Cn1cccc1 ZINC001506415206 988780091 /nfs/dbraw/zinc/78/00/91/988780091.db2.gz WOMATNNUKKTHIN-LBPRGKRZSA-N 0 0 243.310 2.103 50 0 BEAARN C[C@@H](c1nccs1)N(C)Cc1cnn(C)c1 ZINC001506428319 988786484 /nfs/dbraw/zinc/78/64/84/988786484.db2.gz PBGSVUQSHGPYPJ-VIFPVBQESA-N 0 0 236.344 2.070 50 0 BEAARN CC(C)COc1ccc(N)cc1C(=O)N(C)C ZINC001529592564 990357737 /nfs/dbraw/zinc/35/77/37/990357737.db2.gz JRKYRZYEEXZBCM-UHFFFAOYSA-N 0 0 236.315 2.005 50 0 BEAARN Nc1ccc(C(=O)N2CCCCC2)c(F)c1 ZINC000043570475 1171302997 /nfs/dbraw/zinc/30/29/97/1171302997.db2.gz JWBXZNNRFLMEAR-UHFFFAOYSA-N 0 0 222.263 2.034 50 0 BEAARN O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000004893362 136208169 /nfs/dbraw/zinc/20/81/69/136208169.db2.gz ZVXNHYZKXBMGBJ-MELADBBJSA-N 0 0 245.322 2.085 50 0 BEAARN Cc1cc(C)nc(NC(=O)c2cccnc2)c1 ZINC000003159744 177943031 /nfs/dbraw/zinc/94/30/31/177943031.db2.gz UARUPWQNDYZOIT-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN COC(=O)c1cc(-c2ccccc2OC)on1 ZINC000000037052 398145824 /nfs/dbraw/zinc/14/58/24/398145824.db2.gz CQYQVYUEFHKARR-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 BEAARN C=CC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000036335057 343978970 /nfs/dbraw/zinc/97/89/70/343978970.db2.gz KROJMAHHTQCTPU-GFCCVEGCSA-N 0 0 201.269 2.318 50 0 BEAARN CN(C[C@@H]1CCCOC1)c1ccncc1F ZINC000585118333 398172559 /nfs/dbraw/zinc/17/25/59/398172559.db2.gz KSBSYSUYPIDPBI-JTQLQIEISA-N 0 0 224.279 2.084 50 0 BEAARN Cc1cc(CNc2cc(C3CC3)ncn2)n(C)n1 ZINC000091830705 178042023 /nfs/dbraw/zinc/04/20/23/178042023.db2.gz WRRNDZCUCFQSSR-UHFFFAOYSA-N 0 0 243.314 2.008 50 0 BEAARN Cc1cc(CO)cc(OC(F)(F)F)c1 ZINC000038529739 178045385 /nfs/dbraw/zinc/04/53/85/178045385.db2.gz JELFBZMXRZYDFP-UHFFFAOYSA-N 0 0 206.163 2.386 50 0 BEAARN Cc1cc(CS[C@H]2CCO[C@@H]2C)no1 ZINC000095974154 178053209 /nfs/dbraw/zinc/05/32/09/178053209.db2.gz PUQZKTBAOXMEBJ-SCZZXKLOSA-N 0 0 213.302 2.394 50 0 BEAARN Cc1cc(F)ccc1S(=O)(=O)NCC(C)C ZINC000032906663 178092514 /nfs/dbraw/zinc/09/25/14/178092514.db2.gz GQLVFQQAWDYXOW-UHFFFAOYSA-N 0 0 245.319 2.068 50 0 BEAARN Cc1cc(N)c(F)c(Br)c1 ZINC000075915342 178104222 /nfs/dbraw/zinc/10/42/22/178104222.db2.gz KNPUHWXDXJQPOD-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cc(N)nc(N2CCc3ccccc32)n1 ZINC000074934127 178109114 /nfs/dbraw/zinc/10/91/14/178109114.db2.gz GILLJZGUIUZULN-UHFFFAOYSA-N 0 0 226.283 2.061 50 0 BEAARN Cc1cc(NC(=O)/C=C/c2cccs2)n(C)n1 ZINC000013596342 178124322 /nfs/dbraw/zinc/12/43/22/178124322.db2.gz CMMYAYNJDFDDGU-AATRIKPKSA-N 0 0 247.323 2.442 50 0 BEAARN Cc1cc(NC(=O)CC2CCCC2)n[nH]1 ZINC000048602442 178127319 /nfs/dbraw/zinc/12/73/19/178127319.db2.gz BPBHHHPZJAIELN-UHFFFAOYSA-N 0 0 207.277 2.237 50 0 BEAARN Cc1cc(NC(=O)CCOc2ccccc2)no1 ZINC000000618777 178127848 /nfs/dbraw/zinc/12/78/48/178127848.db2.gz XXORKQVBCXSTJN-UHFFFAOYSA-N 0 0 246.266 2.391 50 0 BEAARN Nc1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000019385939 538925953 /nfs/dbraw/zinc/92/59/53/538925953.db2.gz XQBUCLWQYIVPHD-UHFFFAOYSA-N 0 0 234.686 2.132 50 0 BEAARN Cc1cc(NC(=O)NC(C)(C)CO)ccc1F ZINC000075109193 178137906 /nfs/dbraw/zinc/13/79/06/178137906.db2.gz FYMOWHHGQFXUIG-UHFFFAOYSA-N 0 0 240.278 2.027 50 0 BEAARN Cc1cc(NC(=O)NCc2cccnc2)ccn1 ZINC000074753391 178141063 /nfs/dbraw/zinc/14/10/63/178141063.db2.gz BJUWOHRUWRBZTB-UHFFFAOYSA-N 0 0 242.282 2.107 50 0 BEAARN Cc1cc(NC(=O)Nc2ccc(O)cc2)nn1C ZINC000170589880 178141793 /nfs/dbraw/zinc/14/17/93/178141793.db2.gz BJZRTVUHFVCPNY-UHFFFAOYSA-N 0 0 246.270 2.078 50 0 BEAARN Cc1cc(NC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000047555519 178143941 /nfs/dbraw/zinc/14/39/41/178143941.db2.gz DBKXGJRVRMJAQO-SECBINFHSA-N 0 0 205.261 2.013 50 0 BEAARN Cc1cc(NC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC000047555518 178148228 /nfs/dbraw/zinc/14/82/28/178148228.db2.gz DBKXGJRVRMJAQO-VIFPVBQESA-N 0 0 205.261 2.013 50 0 BEAARN Cc1cc(NC(=O)c2ccc(F)cc2F)n[nH]1 ZINC000042651935 178150598 /nfs/dbraw/zinc/15/05/98/178150598.db2.gz CHDNXDFKOJJYDQ-UHFFFAOYSA-N 0 0 237.209 2.249 50 0 BEAARN Cc1cc(NC(=O)c2cccnc2)ccc1O ZINC000148596229 178151881 /nfs/dbraw/zinc/15/18/81/178151881.db2.gz SJBBOKLEJLGIMZ-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN Cc1cc(NN)c2ccc(Cl)cc2n1 ZINC000002564399 178177487 /nfs/dbraw/zinc/17/74/87/178177487.db2.gz OJXSAMCCXSURIW-UHFFFAOYSA-N 0 0 207.664 2.482 50 0 BEAARN Cc1cc(OC(F)(F)F)ccc1CO ZINC000002382231 178208289 /nfs/dbraw/zinc/20/82/89/178208289.db2.gz LCVOXYUOUBCLRJ-UHFFFAOYSA-N 0 0 206.163 2.386 50 0 BEAARN Cc1cc(OC[C@H]2CCCO2)ccc1N ZINC000014630789 178212288 /nfs/dbraw/zinc/21/22/88/178212288.db2.gz AVZSQNHTFMVTSN-LLVKDONJSA-N 0 0 207.273 2.135 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C=O ZINC000004826674 259301739 /nfs/dbraw/zinc/30/17/39/259301739.db2.gz YNUVAJRGRQBLLB-GMTAPVOTSA-N 0 0 212.289 2.189 50 0 BEAARN Cc1cc(S[C@H]2CCO[C@@H]2C)ncn1 ZINC000096484037 178219728 /nfs/dbraw/zinc/21/97/28/178219728.db2.gz OUSLERQSKDTGFE-BDAKNGLRSA-N 0 0 210.302 2.055 50 0 BEAARN Cc1cc(S[C@H]2CCO[C@H]2C)ncn1 ZINC000096484039 178220125 /nfs/dbraw/zinc/22/01/25/178220125.db2.gz OUSLERQSKDTGFE-IUCAKERBSA-N 0 0 210.302 2.055 50 0 BEAARN CCN(C)C(=O)Oc1cccc([C@H](C)O)c1 ZINC000139353345 361776491 /nfs/dbraw/zinc/77/64/91/361776491.db2.gz UPFRTBVKMHUBLD-VIFPVBQESA-N 0 0 223.272 2.190 50 0 BEAARN CCCCC(=O)OCCc1cnc(C)cn1 ZINC000170595271 361767430 /nfs/dbraw/zinc/76/74/30/361767430.db2.gz GQWRBWYAACUYAB-UHFFFAOYSA-N 0 0 222.288 2.061 50 0 BEAARN Cc1nnc(C[NH2+][C@@H](C)C2CCCCC2)o1 ZINC000097109651 398238735 /nfs/dbraw/zinc/23/87/35/398238735.db2.gz YBIOTYYKQISCBA-VIFPVBQESA-N 0 0 223.320 2.436 50 0 BEAARN Cc1cc2c(c(=O)[nH]1)[C@H](CC(C)C)CC(=O)O2 ZINC000085878963 178281837 /nfs/dbraw/zinc/28/18/37/178281837.db2.gz JCLLXRPREWBASL-SECBINFHSA-N 0 0 235.283 2.122 50 0 biogenic BEAARN Cc1cc2c(c(C)c1Cl)NC(=O)CO2 ZINC000013570170 178282588 /nfs/dbraw/zinc/28/25/88/178282588.db2.gz SWPUKRJNHNFMGR-UHFFFAOYSA-N 0 0 211.648 2.288 50 0 BEAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 ZINC000004291313 178300700 /nfs/dbraw/zinc/30/07/00/178300700.db2.gz YWWJNWUVNHXUKS-VDTYLAMSSA-N 0 0 219.210 2.499 50 0 BEAARN Cc1cc2ncc(-c3ccsc3)c(N)n2n1 ZINC000002384357 178303605 /nfs/dbraw/zinc/30/36/05/178303605.db2.gz OEKXKFAQMIRFCL-UHFFFAOYSA-N 0 0 230.296 2.348 50 0 BEAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1N ZINC000000339550 178304609 /nfs/dbraw/zinc/30/46/09/178304609.db2.gz IGNZBKSODFTDHY-UHFFFAOYSA-N 0 0 242.257 2.450 50 0 BEAARN Cc1ccc(-c2ccc3nc[nH]c(=O)c3c2)o1 ZINC000096163142 178325925 /nfs/dbraw/zinc/32/59/25/178325925.db2.gz RCAKQKYXXRERPV-UHFFFAOYSA-N 0 0 226.235 2.492 50 0 BEAARN Cc1ccc(-c2[nH]c(=O)n3ccncc23)s1 ZINC000005950771 178316293 /nfs/dbraw/zinc/31/62/93/178316293.db2.gz GFNCZNQIRCHVKD-UHFFFAOYSA-N 0 0 231.280 2.060 50 0 BEAARN Cc1ccc(-c2ccnc(NC#N)n2)cc1 ZINC000071754896 178328192 /nfs/dbraw/zinc/32/81/92/178328192.db2.gz KEAVOSPFCCVUAU-UHFFFAOYSA-N 0 0 210.240 2.345 50 0 BEAARN Cc1ccc(CNC(=O)c2ccc(F)cc2)n1C ZINC000023574445 538944702 /nfs/dbraw/zinc/94/47/02/538944702.db2.gz DKUCPCOPVZZQQU-UHFFFAOYSA-N 0 0 246.285 2.403 50 0 BEAARN Cc1ccc(-c2ccc(=O)n(C)n2)cc1C ZINC000005401468 178323327 /nfs/dbraw/zinc/32/33/27/178323327.db2.gz QNXFTCHERXPJPF-UHFFFAOYSA-N 0 0 214.268 2.064 50 0 BEAARN Cc1nnc2sc(-c3ccc(C)c(N)c3)nn12 ZINC000000558385 178339389 /nfs/dbraw/zinc/33/93/89/178339389.db2.gz MOQIBEHXBVLKRN-UHFFFAOYSA-N 0 0 245.311 2.052 50 0 BEAARN CCc1ccc(C(=O)Nc2ccccn2)o1 ZINC000025091666 538946634 /nfs/dbraw/zinc/94/66/34/538946634.db2.gz JWOIPTUGBFUEEZ-UHFFFAOYSA-N 0 0 216.240 2.489 50 0 BEAARN Cc1ccc(-n2cnc(C(=O)NC(C)C)c2)cc1 ZINC000226754397 178347062 /nfs/dbraw/zinc/34/70/62/178347062.db2.gz JIQINWLCDHOQRV-UHFFFAOYSA-N 0 0 243.310 2.319 50 0 BEAARN Cc1ccc(-n2cnc(C(=O)NC3CC3)c2)cc1 ZINC000226754452 178347101 /nfs/dbraw/zinc/34/71/01/178347101.db2.gz HFMGLSIDOKZFNF-UHFFFAOYSA-N 0 0 241.294 2.073 50 0 BEAARN Cc1ccc(N2CN=NC2=S)c(C)c1 ZINC000006793109 178347416 /nfs/dbraw/zinc/34/74/16/178347416.db2.gz OFSNDWPHJFKJEV-UHFFFAOYSA-N 0 0 205.286 2.173 50 0 BEAARN Cc1ccc(/C=C\C(=O)Nc2nnc(C)s2)o1 ZINC000033317323 178358355 /nfs/dbraw/zinc/35/83/55/178358355.db2.gz ACVXRKPGXVRBGS-WAYWQWQTSA-N 0 0 249.295 2.400 50 0 BEAARN Cc1ccc(C=CC(=O)Nc2nc[nH]n2)c(C)c1 ZINC000103349959 178358367 /nfs/dbraw/zinc/35/83/67/178358367.db2.gz FVNIBTHEKDCSLV-WAYWQWQTSA-N 0 0 242.282 2.073 50 0 BEAARN Cc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1 ZINC000000367352 178355353 /nfs/dbraw/zinc/35/53/53/178355353.db2.gz QKBSZOSHZUKTPV-FLIBITNWSA-N 0 0 246.335 2.025 50 0 BEAARN Cc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000032895426 178384689 /nfs/dbraw/zinc/38/46/89/178384689.db2.gz BCQYGTYSGHDVFA-UHFFFAOYSA-N 0 0 218.300 2.262 50 0 BEAARN Cc1ccc(C(=O)C(=O)NCc2ccco2)cc1 ZINC000048381303 178371974 /nfs/dbraw/zinc/37/19/74/178371974.db2.gz IYJLFPCYXZWMCK-UHFFFAOYSA-N 0 0 243.262 2.087 50 0 BEAARN O=C(Nc1ccnn1C1CCCC1)[C@H]1CCCO1 ZINC000032739314 538950568 /nfs/dbraw/zinc/95/05/68/538950568.db2.gz CDKWEUZIBORXAU-LLVKDONJSA-N 0 0 249.314 2.116 50 0 BEAARN Cc1ccc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000025264893 178373764 /nfs/dbraw/zinc/37/37/64/178373764.db2.gz BDJCZXGYZWNOTR-CHWSQXEVSA-N 0 0 247.338 2.287 50 0 BEAARN Cc1ccc2[nH]nc(N)c2c1Br ZINC000261507110 398269888 /nfs/dbraw/zinc/26/98/88/398269888.db2.gz FKLIXMKJIGOMOT-UHFFFAOYSA-N 0 0 226.077 2.216 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@H](C)C2)cn1 ZINC000032901404 178389345 /nfs/dbraw/zinc/38/93/45/178389345.db2.gz XPRNKOYCCLDTKJ-JTQLQIEISA-N 0 0 218.300 2.262 50 0 BEAARN Cc1ccc(C(=O)NCc2ccccn2)s1 ZINC000016603763 178415765 /nfs/dbraw/zinc/41/57/65/178415765.db2.gz PWEJLNUHSDMBQG-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN COC(=O)Nc1cc(C)n(-c2ccccc2)n1 ZINC000000075632 342673083 /nfs/dbraw/zinc/67/30/83/342673083.db2.gz IAIJDORQFIWZAY-UHFFFAOYSA-N 0 0 231.255 2.359 50 0 BEAARN COC(=O)c1sc(C(C)(C)C)cc1N ZINC000000080726 342673283 /nfs/dbraw/zinc/67/32/83/342673283.db2.gz WHJBGOQJMFAKHY-UHFFFAOYSA-N 0 0 213.302 2.414 50 0 BEAARN Cc1c(O)ccc2c1OC(C)(C)CC2=O ZINC000000083229 342673460 /nfs/dbraw/zinc/67/34/60/342673460.db2.gz OGVKPSHYVRAUCB-UHFFFAOYSA-N 0 0 206.241 2.444 50 0 BEAARN O=C1C=CC(=O)N1c1ccc(Cl)cc1Cl ZINC000000096629 342674124 /nfs/dbraw/zinc/67/41/24/342674124.db2.gz BZUKGARCPDEBLG-UHFFFAOYSA-N 0 0 242.061 2.423 50 0 BEAARN O=C(c1ccccc1)n1nnc2ccccc21 ZINC000000101721 342674371 /nfs/dbraw/zinc/67/43/71/342674371.db2.gz UJEMOXPSTTXLRE-UHFFFAOYSA-N 0 0 223.235 2.120 50 0 BEAARN Nc1c2c(nc3cccc(F)c13)OCCC2 ZINC000000110013 342674979 /nfs/dbraw/zinc/67/49/79/342674979.db2.gz BXLXHYPSRHQACO-UHFFFAOYSA-N 0 0 218.231 2.281 50 0 BEAARN Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 ZINC000000119905 342675380 /nfs/dbraw/zinc/67/53/80/342675380.db2.gz DNVVZWSVACQWJE-UHFFFAOYSA-N 0 0 229.235 2.194 50 0 world BEAARN CC(=O)N[C@@H](c1ccc(Cl)cc1)n1ccnc1 ZINC000000134057 342676208 /nfs/dbraw/zinc/67/62/08/342676208.db2.gz HGVICGBANWNCQY-GFCCVEGCSA-N 0 0 249.701 2.220 50 0 BEAARN Cc1onc(-c2ccccc2Cl)c1C(N)=O ZINC000000137347 342676608 /nfs/dbraw/zinc/67/66/08/342676608.db2.gz OZFANALXKZFARG-UHFFFAOYSA-N 0 0 236.658 2.402 50 0 BEAARN CSc1nc(SC)nc(SC)n1 ZINC000000153727 342677452 /nfs/dbraw/zinc/67/74/52/342677452.db2.gz KMWQATAKCGOGFB-UHFFFAOYSA-N 0 0 219.360 2.037 50 0 BEAARN CC[C@H](Sc1nc2ccccc2o1)C(N)=O ZINC000000175293 342679270 /nfs/dbraw/zinc/67/92/70/342679270.db2.gz XNKYTIRNYODOHO-VIFPVBQESA-N 0 0 236.296 2.184 50 0 BEAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1 ZINC000000193223 342679630 /nfs/dbraw/zinc/67/96/30/342679630.db2.gz CFROMVMCCYDNTJ-VIFPVBQESA-N 0 0 213.689 2.202 50 0 BEAARN Fc1cc(F)nc(NCc2ccccc2)n1 ZINC000000194212 342679704 /nfs/dbraw/zinc/67/97/04/342679704.db2.gz DEXFDWDQRUGQPH-UHFFFAOYSA-N 0 0 221.210 2.367 50 0 BEAARN Cc1ccc([C@H]2NC(=O)[C@H](C)S2)cc1 ZINC000000292857 342682334 /nfs/dbraw/zinc/68/23/34/342682334.db2.gz FBQSULSZOOGTHJ-KWQFWETISA-N 0 0 207.298 2.245 50 0 BEAARN CCCc1noc(-c2ccc(O)cc2)n1 ZINC000000319202 342683333 /nfs/dbraw/zinc/68/33/33/342683333.db2.gz VBUHCNFMQAJDSD-UHFFFAOYSA-N 0 0 204.229 2.395 50 0 BEAARN NNc1ncnc(-c2ccccc2)c1Cl ZINC000000331834 342683597 /nfs/dbraw/zinc/68/35/97/342683597.db2.gz AEBADGZINTYCCI-UHFFFAOYSA-N 0 0 220.663 2.083 50 0 BEAARN CCC1=CC(Br)=C(C)S1(=O)=O ZINC000000334235 342683676 /nfs/dbraw/zinc/68/36/76/342683676.db2.gz QONJOCKDSKDLQJ-UHFFFAOYSA-N 0 0 237.118 2.335 50 0 BEAARN CCc1[nH]nc(N)c1-c1ccc(OC)c(OC)c1 ZINC000000336660 342683807 /nfs/dbraw/zinc/68/38/07/342683807.db2.gz HEZPXMNYHMZUDL-UHFFFAOYSA-N 0 0 247.298 2.239 50 0 BEAARN CC(C)(C)OC(=O)Nc1ccncc1C=O ZINC000000335279 342683948 /nfs/dbraw/zinc/68/39/48/342683948.db2.gz UFWCFTNUYXZYKE-UHFFFAOYSA-N 0 0 222.244 2.241 50 0 BEAARN Cn1ccnc1CSC1(O)CCCCC1 ZINC000000343549 342684044 /nfs/dbraw/zinc/68/40/44/342684044.db2.gz LGNGQDBLLAJWHX-UHFFFAOYSA-N 0 0 226.345 2.306 50 0 BEAARN Nc1cc(OCc2ccccc2)[nH]c(=S)n1 ZINC000000339379 342684230 /nfs/dbraw/zinc/68/42/30/342684230.db2.gz SCIDMPLKIFFCIC-UHFFFAOYSA-N 0 0 233.296 2.300 50 0 BEAARN COC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000000345297 342684301 /nfs/dbraw/zinc/68/43/01/342684301.db2.gz PZAOODQXKLKIJZ-UHFFFAOYSA-N 0 0 229.688 2.001 50 0 BEAARN O=C(c1ccccc1)N1CCSC1=S ZINC000000368669 342685155 /nfs/dbraw/zinc/68/51/55/342685155.db2.gz NWKQMWLTQNBOHI-UHFFFAOYSA-N 0 0 223.322 2.161 50 0 BEAARN CSc1ccc(-c2ccnc(N)n2)cc1 ZINC000040162847 259315871 /nfs/dbraw/zinc/31/58/71/259315871.db2.gz MIJOHMVXDGZDQD-UHFFFAOYSA-N 0 0 217.297 2.448 50 0 BEAARN CCCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000000383459 342685677 /nfs/dbraw/zinc/68/56/77/342685677.db2.gz WDAISGGMENKAFK-UHFFFAOYSA-N 0 0 223.272 2.442 50 0 BEAARN CCCC(=O)Nc1ccc(OC)cc1OC ZINC000000383524 342685690 /nfs/dbraw/zinc/68/56/90/342685690.db2.gz STRHTWQBIFPACY-UHFFFAOYSA-N 0 0 223.272 2.442 50 0 BEAARN O=c1[nH]cncc1-c1ccccc1Cl ZINC000000391549 342685935 /nfs/dbraw/zinc/68/59/35/342685935.db2.gz YCBPNRPKCJNGFH-UHFFFAOYSA-N 0 0 206.632 2.090 50 0 BEAARN O=S1(=O)c2ccccc2-c2ccccc21 ZINC000000404348 342686712 /nfs/dbraw/zinc/68/67/12/342686712.db2.gz IKJFYINYNJYDTA-UHFFFAOYSA-N 0 0 216.261 2.500 50 0 in-vitro BEAARN CCOc1cccc(-c2nnc(N)s2)c1 ZINC000000449195 342687717 /nfs/dbraw/zinc/68/77/17/342687717.db2.gz APEORNRUGDLVDP-UHFFFAOYSA-N 0 0 221.285 2.186 50 0 BEAARN O=S(=O)(c1cccs1)N1CCCCCC1 ZINC000000470208 342688231 /nfs/dbraw/zinc/68/82/31/342688231.db2.gz NZHNVTOIFPLRCR-UHFFFAOYSA-N 0 0 245.369 2.313 50 0 BEAARN Cc1cc(C)n(C(=O)c2cccnc2Cl)n1 ZINC000000483055 342688511 /nfs/dbraw/zinc/68/85/11/342688511.db2.gz NLXGLOHMPPSBML-UHFFFAOYSA-N 0 0 235.674 2.237 50 0 BEAARN Cc1ccc([C@]2(C)NC(=O)CS2)cc1 ZINC000000478087 342688546 /nfs/dbraw/zinc/68/85/46/342688546.db2.gz QYSRSSSHWMIQKT-LLVKDONJSA-N 0 0 207.298 2.031 50 0 BEAARN Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000040161039 259316175 /nfs/dbraw/zinc/31/61/75/259316175.db2.gz DFVYSXFNAAXTPS-ADEWGFFLSA-N 0 0 247.342 2.340 50 0 BEAARN O=C(c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000000009070 342669731 /nfs/dbraw/zinc/66/97/31/342669731.db2.gz LJUNPHMOGNFFOS-UHFFFAOYSA-N 0 0 247.294 2.084 50 0 investigational BEAARN O=C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000000028449 342669986 /nfs/dbraw/zinc/66/99/86/342669986.db2.gz RXNYJUSEXLAVNQ-UHFFFAOYSA-N 0 0 214.220 2.329 50 0 in-vivo BEAARN CCCC(=O)Nc1sc(C)c(C)c1C(N)=O ZINC000000038432 342670735 /nfs/dbraw/zinc/67/07/35/342670735.db2.gz SXLDAHGNRBNZBT-UHFFFAOYSA-N 0 0 240.328 2.202 50 0 BEAARN Cc1ccc(NC(=O)c2ccccc2N)c(N)c1 ZINC000000068039 342672458 /nfs/dbraw/zinc/67/24/58/342672458.db2.gz HFOVTQHCHWSBNA-UHFFFAOYSA-N 0 0 241.294 2.412 50 0 BEAARN CC(=O)Nc1cccc(Br)c1 ZINC000000062704 342672466 /nfs/dbraw/zinc/67/24/66/342672466.db2.gz XXHOHJTVFUJJMT-UHFFFAOYSA-N 0 0 214.062 2.408 50 0 BEAARN Cc1cc(C)nc(NC(=O)c2ccccc2F)n1 ZINC000000580168 342690708 /nfs/dbraw/zinc/69/07/08/342690708.db2.gz IZLPSLBHEBSUOE-UHFFFAOYSA-N 0 0 245.257 2.485 50 0 BEAARN CC(C)n1c2ccccc2[nH]c1=Nn1cnnc1 ZINC000001076592 342696823 /nfs/dbraw/zinc/69/68/23/342696823.db2.gz UFFYSOSACZOPIY-UHFFFAOYSA-N 0 0 242.286 2.084 50 0 BEAARN O=C1NC2(CCCCC2)NN1c1ccccc1 ZINC000001384905 342699463 /nfs/dbraw/zinc/69/94/63/342699463.db2.gz BFHVGNXZDRUBPV-UHFFFAOYSA-N 0 0 231.299 2.381 50 0 BEAARN CC(C)CSc1nnc(-c2ccccc2)n1N ZINC000001393164 342699818 /nfs/dbraw/zinc/69/98/18/342699818.db2.gz VPDOKCVYEZCBAY-UHFFFAOYSA-N 0 0 248.355 2.407 50 0 BEAARN CC1(C)CN(c2cccnc2Cl)C1=O ZINC000001401043 342699953 /nfs/dbraw/zinc/69/99/53/342699953.db2.gz FDKCNYDPODUNGI-UHFFFAOYSA-N 0 0 210.664 2.108 50 0 BEAARN CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000001405222 342700013 /nfs/dbraw/zinc/70/00/13/342700013.db2.gz ORKXMOMDYXMMNG-UHFFFAOYSA-N 0 0 203.163 2.065 50 0 BEAARN CCOc1ccccc1NC(=O)c1ccnn1C ZINC000001429177 342700732 /nfs/dbraw/zinc/70/07/32/342700732.db2.gz VIFPVJIAIMKTOE-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CC(C)(C)OC(=O)NCc1ccncc1 ZINC000001433122 342700981 /nfs/dbraw/zinc/70/09/81/342700981.db2.gz KXCFJDZVQLRYSI-UHFFFAOYSA-N 0 0 208.261 2.106 50 0 BEAARN Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000001562075 342703148 /nfs/dbraw/zinc/70/31/48/342703148.db2.gz UTLLHJULQYAUIK-UHFFFAOYSA-N 0 0 203.163 2.496 50 0 in-vitro BEAARN Nc1cc(F)cc(F)c1Br ZINC000001704162 342710228 /nfs/dbraw/zinc/71/02/28/342710228.db2.gz LNRJKFKNFNIMTM-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Cc1c(F)nccc1I ZINC000002384103 342719536 /nfs/dbraw/zinc/71/95/36/342719536.db2.gz XWSVFBVCHYQCLO-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000002385889 342719542 /nfs/dbraw/zinc/71/95/42/342719542.db2.gz RCVBUWYXFGWFHR-SECBINFHSA-N 0 0 247.216 2.050 50 0 BEAARN Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000096028160 342713451 /nfs/dbraw/zinc/71/34/51/342713451.db2.gz KMIGTTIKLHGHIM-LBPRGKRZSA-N 0 0 249.310 2.058 50 0 BEAARN CC(C)C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000002042295 342715082 /nfs/dbraw/zinc/71/50/82/342715082.db2.gz ZJOWTIPPMQBTTA-GFCCVEGCSA-N 0 0 221.300 2.276 50 0 BEAARN CC(C)C(=O)OCC(C)(C)[C@@H](O)C(C)C ZINC000002041274 342715103 /nfs/dbraw/zinc/71/51/03/342715103.db2.gz DAFHKNAQFPVRKR-JTQLQIEISA-N 0 0 216.321 2.229 50 0 BEAARN CC(C)(C)c1cc(OS(C)(=O)=O)ccc1O ZINC000002065796 342715741 /nfs/dbraw/zinc/71/57/41/342715741.db2.gz GIAHEJPFUCFQCL-UHFFFAOYSA-N 0 0 244.312 2.028 50 0 BEAARN Cc1ccc(C(=O)NC(=S)NC(C)C)cc1 ZINC000002136292 342716097 /nfs/dbraw/zinc/71/60/97/342716097.db2.gz RNSDUCJCHWELKR-UHFFFAOYSA-N 0 0 236.340 2.008 50 0 BEAARN O=C1CCNc2ccc(C(F)(F)F)cc2N1 ZINC000004053553 342741312 /nfs/dbraw/zinc/74/13/12/342741312.db2.gz IQXBTFYYERUXCM-UHFFFAOYSA-N 0 0 230.189 2.460 50 0 BEAARN Nc1ccccc1Sc1cnccn1 ZINC000004054846 342741390 /nfs/dbraw/zinc/74/13/90/342741390.db2.gz ZBSPGDPAJKWVEL-UHFFFAOYSA-N 0 0 203.270 2.210 50 0 BEAARN CCCCCc1c(C)nc(N2CCCC2)[nH]c1=O ZINC000035325028 342742567 /nfs/dbraw/zinc/74/25/67/342742567.db2.gz ZHUXIRZRSDBGJA-UHFFFAOYSA-N 0 0 249.358 2.411 50 0 BEAARN COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000004262041 342745532 /nfs/dbraw/zinc/74/55/32/342745532.db2.gz LJFIHTFNTGQZJL-UHFFFAOYSA-N 0 0 242.274 2.096 50 0 BEAARN Nc1ccccc1OCc1ccccn1 ZINC000004343587 342746848 /nfs/dbraw/zinc/74/68/48/342746848.db2.gz HGPUVSWRIMYYPF-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN CC(C)(C)NC(=O)c1ccc2c(c1)CCO2 ZINC000004362171 342747074 /nfs/dbraw/zinc/74/70/74/342747074.db2.gz BACMZMXPSNGIAM-UHFFFAOYSA-N 0 0 219.284 2.150 50 0 BEAARN CCCn1nnnc1NCc1ccccc1C ZINC000004488551 342748342 /nfs/dbraw/zinc/74/83/42/342748342.db2.gz FHUBMNIOCZIWMP-UHFFFAOYSA-N 0 0 231.303 2.004 50 0 BEAARN O=S1(=O)C=C(Cl)c2ccccc21 ZINC000004668963 342750449 /nfs/dbraw/zinc/75/04/49/342750449.db2.gz NRISJHCKUBVLHA-UHFFFAOYSA-N 0 0 200.646 2.011 50 0 BEAARN Fc1ccc(OCCCn2ccnc2)cc1 ZINC000002497261 342721537 /nfs/dbraw/zinc/72/15/37/342721537.db2.gz NIEUWSDETHQKAX-UHFFFAOYSA-N 0 0 220.247 2.491 50 0 BEAARN Cn1cc(CNc2ccc(F)cc2)cn1 ZINC000002536132 342723052 /nfs/dbraw/zinc/72/30/52/342723052.db2.gz QZRGNKJGNZIGRI-UHFFFAOYSA-N 0 0 205.236 2.171 50 0 BEAARN CC(C)(C)NC(=S)NNc1ccccc1 ZINC000002555898 342723829 /nfs/dbraw/zinc/72/38/29/342723829.db2.gz DMCKLGWLDHDTDT-UHFFFAOYSA-N 0 0 223.345 2.276 50 0 BEAARN CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000002591126 342725999 /nfs/dbraw/zinc/72/59/99/342725999.db2.gz LBYMHLPIWBXKKI-UHFFFAOYSA-N 0 0 210.233 2.394 50 0 BEAARN CC1(C)[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000002820895 342727388 /nfs/dbraw/zinc/72/73/88/342727388.db2.gz CWGHZIOJFVTEPN-NSHDSACASA-N 0 0 244.294 2.002 50 0 biogenic BEAARN CCCCOc1ccc(C(=O)NC)cc1 ZINC000002880053 342727437 /nfs/dbraw/zinc/72/74/37/342727437.db2.gz SBUJBELTCWLWPU-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN Cc1ccc(NC(=O)C(=O)NCC(C)C)cc1C ZINC000003093181 342730351 /nfs/dbraw/zinc/73/03/51/342730351.db2.gz XPVKIBKKEUSEGP-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN CCN1C(=S)S[C@@H]2N=C(C)S[C@@H]21 ZINC000003121929 342730628 /nfs/dbraw/zinc/73/06/28/342730628.db2.gz VTYKDLHVCGDXJY-WDSKDSINSA-N 0 0 218.372 2.157 50 0 BEAARN CCOc1ccc(C2N=NC(=S)O2)cc1 ZINC000003407930 342733130 /nfs/dbraw/zinc/73/31/30/342733130.db2.gz CVOZYGITIHHWNM-UHFFFAOYSA-N 0 0 222.269 2.424 50 0 BEAARN Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2C)cn1 ZINC000003559874 342734509 /nfs/dbraw/zinc/73/45/09/342734509.db2.gz QPNVAPBAQNRRPC-ONGXEEELSA-N 0 0 233.315 2.094 50 0 BEAARN [NH3+][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000003676998 342736299 /nfs/dbraw/zinc/73/62/99/342736299.db2.gz CEAIBRZKLBUDQF-SSDOTTSWSA-N 0 0 220.055 2.078 50 0 biogenic BEAARN [NH3+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000003676801 342736456 /nfs/dbraw/zinc/73/64/56/342736456.db2.gz GAQVGSJHXPYMCP-SSDOTTSWSA-N 0 0 220.055 2.078 50 0 BEAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000003755722 342737294 /nfs/dbraw/zinc/73/72/94/342737294.db2.gz FHNOGNNMKHCMOM-JTQLQIEISA-N 0 0 225.313 2.187 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000003749315 342737380 /nfs/dbraw/zinc/73/73/80/342737380.db2.gz KOXCBDNTCRUQDS-LLVKDONJSA-N 0 0 237.274 2.122 50 0 BEAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000003754809 342737405 /nfs/dbraw/zinc/73/74/05/342737405.db2.gz QEHMFYMCFXCQIA-GFCCVEGCSA-N 0 0 237.274 2.265 50 0 BEAARN COC(=O)c1cnc(Cl)cc1Cl ZINC000003884038 342738834 /nfs/dbraw/zinc/73/88/34/342738834.db2.gz JEJMDUMJSZTJTI-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN CCOc1cc2c(cc1C=O)O[C@H](C)C2 ZINC000003882879 342738915 /nfs/dbraw/zinc/73/89/15/342738915.db2.gz BRNLPMZGFLCURP-MRVPVSSYSA-N 0 0 206.241 2.221 50 0 BEAARN CCOc1cc2ccccc2cc1C(N)=O ZINC000004761300 342751870 /nfs/dbraw/zinc/75/18/70/342751870.db2.gz MYOCIPVQLFIALY-UHFFFAOYSA-N 0 0 215.252 2.337 50 0 BEAARN CCOc1cc(C(=O)N2CCCC2)ccc1OC ZINC000004856774 342753299 /nfs/dbraw/zinc/75/32/99/342753299.db2.gz LPQBEARESOZXDQ-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN COC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000004977504 342755294 /nfs/dbraw/zinc/75/52/94/342755294.db2.gz QSEVMIMUBKMNOU-SECBINFHSA-N 0 0 245.319 2.099 50 0 BEAARN CCCn1nnnc1NC/C=C/c1ccccc1 ZINC000005019109 342756517 /nfs/dbraw/zinc/75/65/17/342756517.db2.gz TVPJTOMXWDNNQU-RMKNXTFCSA-N 0 0 243.314 2.208 50 0 BEAARN COc1ccc(C)nc1I ZINC000005041160 342756867 /nfs/dbraw/zinc/75/68/67/342756867.db2.gz OIXKVVOVXBQKKV-UHFFFAOYSA-N 0 0 249.051 2.003 50 0 BEAARN Clc1ncc(Br)c2nc[nH]c21 ZINC000005387423 342763015 /nfs/dbraw/zinc/76/30/15/342763015.db2.gz USTMRSIXVJVNOT-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Cc1cc(N)n([C@H](C)c2ccccc2)n1 ZINC000006477797 342778182 /nfs/dbraw/zinc/77/81/82/342778182.db2.gz KVUMKWFHPFLNNA-SNVBAGLBSA-N 0 0 201.273 2.383 50 0 BEAARN COC(=O)c1nc(-c2ccccc2)oc1C ZINC000005538644 342765638 /nfs/dbraw/zinc/76/56/38/342765638.db2.gz ZFEAGDOIQORQNY-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN CCOc1cc([C@H]2OC[C@@H](C)O2)ccc1O ZINC000005863166 342771005 /nfs/dbraw/zinc/77/10/05/342771005.db2.gz IFUIILQWHYHIEK-PELKAZGASA-N 0 0 224.256 2.225 50 0 endogenous,in-man BEAARN CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCO ZINC000005922357 342771465 /nfs/dbraw/zinc/77/14/65/342771465.db2.gz QLHULAHOXSSASE-GHMZBOCLSA-N 0 0 229.320 2.158 50 0 in-man BEAARN CCOc1ccc(-c2ccc(CO)o2)cc1N ZINC000004748669 342751566 /nfs/dbraw/zinc/75/15/66/342751566.db2.gz YXYWXQFOEXAMRV-UHFFFAOYSA-N 0 0 233.267 2.420 50 0 BEAARN C[C@H](NC(=O)CCc1ccccc1)[C@H]1CCCO1 ZINC000004750096 342751571 /nfs/dbraw/zinc/75/15/71/342751571.db2.gz MSYYKCYKMWGJIK-GXTWGEPZSA-N 0 0 247.338 2.303 50 0 BEAARN CC(=O)CC(=O)Nc1cccc2c1CCCC2 ZINC000006552499 342779161 /nfs/dbraw/zinc/77/91/61/342779161.db2.gz NDZFRTPFSKCECT-UHFFFAOYSA-N 0 0 231.295 2.483 50 0 BEAARN CC(C)C[C@H](CO)NC(=O)Nc1cccs1 ZINC000071910262 342780079 /nfs/dbraw/zinc/78/00/79/342780079.db2.gz NAFIGQIDIXDSOJ-SECBINFHSA-N 0 0 242.344 2.277 50 0 BEAARN COC(C)(C)CCOc1ccccc1N ZINC000006678004 342780964 /nfs/dbraw/zinc/78/09/64/342780964.db2.gz VPXRHDICDFEALD-UHFFFAOYSA-N 0 0 209.289 2.463 50 0 BEAARN CCOc1cc(C(N)=O)ccc1O[C@H](C)CC ZINC000006701472 342781114 /nfs/dbraw/zinc/78/11/14/342781114.db2.gz SSMKMOXSNCWKJZ-SECBINFHSA-N 0 0 237.299 2.362 50 0 BEAARN Cc1nc(C(=O)OCc2ccoc2)cs1 ZINC000170620480 361895269 /nfs/dbraw/zinc/89/52/69/361895269.db2.gz GVGQQFPKEWUNLB-UHFFFAOYSA-N 0 0 223.253 2.402 50 0 BEAARN CC[C@H](NC(=O)c1ccnn1C)c1ccccc1 ZINC000006698824 342781153 /nfs/dbraw/zinc/78/11/53/342781153.db2.gz GATWOYFTFLMHNX-LBPRGKRZSA-N 0 0 243.310 2.301 50 0 BEAARN COC[C@H](C)NC(=O)c1ccccc1SC ZINC000006728636 342781590 /nfs/dbraw/zinc/78/15/90/342781590.db2.gz CYQPFOLNBWOVOS-VIFPVBQESA-N 0 0 239.340 2.173 50 0 BEAARN CCCCn1nnnc1NCc1ccccc1F ZINC000006730514 342781691 /nfs/dbraw/zinc/78/16/91/342781691.db2.gz RUTPCEMNTCDRSR-UHFFFAOYSA-N 0 0 249.293 2.224 50 0 BEAARN CC(=O)Oc1cccc(NC(=O)c2ccco2)c1 ZINC000006746360 342781890 /nfs/dbraw/zinc/78/18/90/342781890.db2.gz YFQHYOOFBZNROR-UHFFFAOYSA-N 0 0 245.234 2.457 50 0 BEAARN CC(C)(C)NC(=O)Nc1ccc(O)cc1 ZINC000000398663 342788306 /nfs/dbraw/zinc/78/83/06/342788306.db2.gz FWOHLJYWKKVUEQ-UHFFFAOYSA-N 0 0 208.261 2.312 50 0 BEAARN CC(C)c1ccc(C2=NNC(=O)CC2)cc1 ZINC000005614066 342789269 /nfs/dbraw/zinc/78/92/69/342789269.db2.gz BUYVMYHOBCXQLJ-UHFFFAOYSA-N 0 0 216.284 2.424 50 0 BEAARN CCCCNC(=O)c1cc2ccccc2oc1=O ZINC000002334714 398285386 /nfs/dbraw/zinc/28/53/86/398285386.db2.gz FWKQAVIQWMMROS-UHFFFAOYSA-N 0 0 245.278 2.323 50 0 BEAARN Cc1cccc(-c2nnc([C@H](C)N)o2)c1 ZINC000011586086 342789773 /nfs/dbraw/zinc/78/97/73/342789773.db2.gz RWBQLBGEBWWCEE-QMMMGPOBSA-N 0 0 203.245 2.065 50 0 BEAARN COC(=O)C[C@@H](C)OC(=O)c1ccc(Cl)o1 ZINC000097376730 342791974 /nfs/dbraw/zinc/79/19/74/342791974.db2.gz GRBPDVFQPKZVRE-ZCFIWIBFSA-N 0 0 246.646 2.041 50 0 BEAARN CCCn1cc(N[C@@H](C)c2nc(CC)no2)cn1 ZINC000097377353 342792393 /nfs/dbraw/zinc/79/23/93/342792393.db2.gz PIYHZESERMPNHM-VIFPVBQESA-N 0 0 249.318 2.412 50 0 BEAARN C[C@@H](Nc1cnn(C)c1)c1cccc(CO)c1 ZINC000097378991 342793656 /nfs/dbraw/zinc/79/36/56/342793656.db2.gz LMRKSPGHLSSHDB-SNVBAGLBSA-N 0 0 231.299 2.086 50 0 BEAARN CC[C@H]1CCCN(Cc2nc(C)no2)C1 ZINC000048057945 342794013 /nfs/dbraw/zinc/79/40/13/342794013.db2.gz SMMVVYORKSKCJJ-JTQLQIEISA-N 0 0 209.293 2.000 50 0 BEAARN CC(C)c1nnc(NC(=O)c2ccccn2)s1 ZINC000008042012 342795809 /nfs/dbraw/zinc/79/58/09/342795809.db2.gz ZAPGJOXLNPYYRK-UHFFFAOYSA-N 0 0 248.311 2.309 50 0 BEAARN C[C@H](CNC(=O)C1CC1)c1ccccc1 ZINC000043700780 342798843 /nfs/dbraw/zinc/79/88/43/342798843.db2.gz KIBRBVAOFNZNIH-SNVBAGLBSA-N 0 0 203.285 2.316 50 0 BEAARN COc1cc(-c2c(C)cccc2C)nc(N)n1 ZINC000032541070 342810961 /nfs/dbraw/zinc/81/09/61/342810961.db2.gz SVFYGDLFSNBJKP-UHFFFAOYSA-N 0 0 229.283 2.351 50 0 BEAARN C[C@H](N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000008729147 342803678 /nfs/dbraw/zinc/80/36/78/342803678.db2.gz HNDBFFBSXOAWPV-LURJTMIESA-N 0 0 223.663 2.410 50 0 BEAARN CCSc1nc2ccccc2c(=O)[nH]1 ZINC000008733435 342804142 /nfs/dbraw/zinc/80/41/42/342804142.db2.gz MWARAOPWFPYGLV-UHFFFAOYSA-N 0 0 206.270 2.035 50 0 BEAARN Clc1ccccc1[C@@H]1NCCc2nc[nH]c21 ZINC000008733375 342804148 /nfs/dbraw/zinc/80/41/48/342804148.db2.gz ORACQPYUXLBCCW-NSHDSACASA-N 0 0 233.702 2.298 50 0 BEAARN CCc1[nH]nc(N)c1-c1ccc(F)cc1 ZINC000008745750 342804371 /nfs/dbraw/zinc/80/43/71/342804371.db2.gz SWSXGBQBODSZLW-UHFFFAOYSA-N 0 0 205.236 2.360 50 0 BEAARN CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000008971858 342806518 /nfs/dbraw/zinc/80/65/18/342806518.db2.gz ALMUQWSPQNFSLB-UHFFFAOYSA-N 0 0 238.312 2.257 50 0 BEAARN Cc1ccc([C@]2(C(F)(F)F)CCNC(=O)O2)o1 ZINC000044980273 538990928 /nfs/dbraw/zinc/99/09/28/538990928.db2.gz GOEVECCFNRFQTB-VIFPVBQESA-N 0 0 249.188 2.476 50 0 BEAARN CCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000046417618 538995314 /nfs/dbraw/zinc/99/53/14/538995314.db2.gz VQSFQGKJSJXENB-UWVGGRQHSA-N 0 0 237.299 2.091 50 0 BEAARN Nc1n[nH]c2nc(-c3ccccc3)ccc12 ZINC000011757318 342843225 /nfs/dbraw/zinc/84/32/25/342843225.db2.gz HESPDHKJYFIMSN-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN O=C(n1ccnc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000065553054 539027859 /nfs/dbraw/zinc/02/78/59/539027859.db2.gz MEIKWCXMZCLBHN-RYUDHWBXSA-N 0 0 233.315 2.363 50 0 BEAARN O=C(OCc1cccnc1)c1ccc(O)cc1 ZINC000008645087 342839756 /nfs/dbraw/zinc/83/97/56/342839756.db2.gz DOMNSBVYBYRFBV-UHFFFAOYSA-N 0 0 229.235 2.144 50 0 BEAARN Nc1nc2c(s1)c(-c1ccccc1)n[nH]c2=O ZINC000011919848 342844555 /nfs/dbraw/zinc/84/45/55/342844555.db2.gz CKCOPPBCDQMNSE-UHFFFAOYSA-N 0 0 244.279 2.041 50 0 BEAARN CC[C@@H](C)NC(=O)c1cccc(NC(C)=O)c1 ZINC000012138680 342847070 /nfs/dbraw/zinc/84/70/70/342847070.db2.gz VBELLPDCLOCCBO-SECBINFHSA-N 0 0 234.299 2.173 50 0 BEAARN Nc1cc(C2CC2)nn1-c1ccc(F)cc1 ZINC000012355462 342849539 /nfs/dbraw/zinc/84/95/39/342849539.db2.gz UXTDYQOCRWENFL-UHFFFAOYSA-N 0 0 217.247 2.471 50 0 BEAARN Nc1ccccc1-n1cc(Br)cn1 ZINC000012396989 342851277 /nfs/dbraw/zinc/85/12/77/342851277.db2.gz KGSHTTGFAAHMLS-UHFFFAOYSA-N 0 0 238.088 2.217 50 0 BEAARN Nc1n[nH]cc1-c1ccccc1Br ZINC000012404933 342851623 /nfs/dbraw/zinc/85/16/23/342851623.db2.gz HCJIHKIJPLXOHZ-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN CC(C)c1nn2c(nnc2-c2cccnc2)s1 ZINC000012409373 342851879 /nfs/dbraw/zinc/85/18/79/342851879.db2.gz ZGKXONWZTHACRC-UHFFFAOYSA-N 0 0 245.311 2.371 50 0 BEAARN COc1cc(C)c(-c2cnc(N)cn2)c(C)c1 ZINC000032593189 342854628 /nfs/dbraw/zinc/85/46/28/342854628.db2.gz PSHJZHXSWTZDGI-UHFFFAOYSA-N 0 0 229.283 2.351 50 0 BEAARN O=C(CCc1cccs1)N1CCCC1 ZINC000032674559 342861224 /nfs/dbraw/zinc/86/12/24/342861224.db2.gz MSHUCENNKVOERU-UHFFFAOYSA-N 0 0 209.314 2.303 50 0 BEAARN CC(C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000013011243 342863108 /nfs/dbraw/zinc/86/31/08/342863108.db2.gz ZAWIORCDIZQMDB-NSHDSACASA-N 0 0 240.372 2.123 50 0 BEAARN COC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1C ZINC000013327630 342865774 /nfs/dbraw/zinc/86/57/74/342865774.db2.gz XAMFAFZUMWPGLC-PSASIEDQSA-N 0 0 233.267 2.068 50 0 BEAARN CCc1ccc(C(=O)Nc2ccon2)cc1 ZINC000013745726 342871229 /nfs/dbraw/zinc/87/12/29/342871229.db2.gz GNWCKNSQEVJANA-UHFFFAOYSA-N 0 0 216.240 2.489 50 0 BEAARN CC(C)(C)[C@@H](O)CC(=O)C(F)(F)C(F)F ZINC000013940834 342874427 /nfs/dbraw/zinc/87/44/27/342874427.db2.gz MUIZZZIEBIXZSZ-YFKPBYRVSA-N 0 0 230.201 2.253 50 0 BEAARN COc1cc(C=O)ccc1OC[C@H]1CCCO1 ZINC000014000005 342875608 /nfs/dbraw/zinc/87/56/08/342875608.db2.gz KDHACBMWVXSAHP-LLVKDONJSA-N 0 0 236.267 2.066 50 0 BEAARN Cc1oc(C)c(C(=O)N2CCCC2)c1C ZINC000032808543 342877007 /nfs/dbraw/zinc/87/70/07/342877007.db2.gz RUUWTXPCYANPOV-UHFFFAOYSA-N 0 0 207.273 2.441 50 0 BEAARN O=C(CCc1cccs1)NCc1ccccn1 ZINC000032896728 342894107 /nfs/dbraw/zinc/89/41/07/342894107.db2.gz FOYXMQHYCZKTIE-UHFFFAOYSA-N 0 0 246.335 2.392 50 0 BEAARN CONC(=O)/C=C(\C)c1ccccc1Cl ZINC000096292630 398317023 /nfs/dbraw/zinc/31/70/23/398317023.db2.gz ZCMMZLKFMQNNGX-BQYQJAHWSA-N 0 0 225.675 2.421 50 0 BEAARN O=C(/C=C\c1ccc(F)cc1)O[C@@H]1CCOC1 ZINC000096404651 398317574 /nfs/dbraw/zinc/31/75/74/398317574.db2.gz NIWVXTOQKJEUMV-GCLPIYDQSA-N 0 0 236.242 2.171 50 0 BEAARN CCO[C@@H]1C[C@@H](Nc2cnccn2)C12CCC2 ZINC000096429658 398318194 /nfs/dbraw/zinc/31/81/94/398318194.db2.gz LKBVWDNRTBOBSG-GHMZBOCLSA-N 0 0 233.315 2.236 50 0 BEAARN CCO[C@H]1C[C@H](Nc2cnccn2)C12CCC2 ZINC000096429657 398318257 /nfs/dbraw/zinc/31/82/57/398318257.db2.gz LKBVWDNRTBOBSG-QWRGUYRKSA-N 0 0 233.315 2.236 50 0 BEAARN Cc1cc(C)nc(N=NC(C)c2ccc[nH]2)n1 ZINC000254393763 398312702 /nfs/dbraw/zinc/31/27/02/398312702.db2.gz NZNKQJUZVFPEMO-UHFFFAOYSA-N 0 0 229.287 2.258 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CCO2)CC1 ZINC000015042323 342891119 /nfs/dbraw/zinc/89/11/19/342891119.db2.gz WTKKPVRQCZKUDT-UHFFFAOYSA-N 0 0 227.304 2.176 50 0 BEAARN COc1cc(C(C)=O)ccc1Oc1cnccn1 ZINC000003415687 398322107 /nfs/dbraw/zinc/32/21/07/398322107.db2.gz JKBSUBQSPMHTQN-UHFFFAOYSA-N 0 0 244.250 2.480 50 0 BEAARN Nc1cc2c(cc1F)OC(F)(F)C(F)(F)O2 ZINC000016158515 342907350 /nfs/dbraw/zinc/90/73/50/342907350.db2.gz UELRRGSPDPPNDO-UHFFFAOYSA-N 0 0 241.115 2.365 50 0 BEAARN CC[C@H]1CCc2sc(C(N)=O)cc2C1 ZINC000016603828 342913282 /nfs/dbraw/zinc/91/32/82/342913282.db2.gz OTGZNCFWEXYIQA-ZETCQYMHSA-N 0 0 209.314 2.362 50 0 BEAARN CSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000017823707 342928390 /nfs/dbraw/zinc/92/83/90/342928390.db2.gz JSYZOQNANLSNMY-UHFFFAOYSA-N 0 0 218.281 2.159 50 0 BEAARN CN(C)c1cc(Cl)nc(C(F)(F)F)n1 ZINC000016678691 342914126 /nfs/dbraw/zinc/91/41/26/342914126.db2.gz RCRUAWWNTTTYOS-UHFFFAOYSA-N 0 0 225.601 2.215 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1CCCC(=O)C1 ZINC000016697172 342914519 /nfs/dbraw/zinc/91/45/19/342914519.db2.gz VGDCXKATFLOEHF-MRVPVSSYSA-N 0 0 213.277 2.023 50 0 BEAARN O=C([O-])[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000016941857 342917657 /nfs/dbraw/zinc/91/76/57/342917657.db2.gz ITQDRROTHQYNPY-JTQLQIEISA-N 0 0 211.305 2.116 50 0 BEAARN COC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000016973524 342918368 /nfs/dbraw/zinc/91/83/68/342918368.db2.gz MFDNNGIAYVBRMF-UHFFFAOYSA-N 0 0 248.282 2.101 50 0 BEAARN CCCCNC(=O)c1ccc2[nH]cnc2c1 ZINC000008662339 398329139 /nfs/dbraw/zinc/32/91/39/398329139.db2.gz DLEYSLRUHKCLHT-UHFFFAOYSA-N 0 0 217.272 2.093 50 0 BEAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)COC ZINC000071796114 398331179 /nfs/dbraw/zinc/33/11/79/398331179.db2.gz GEFMBXWDCJMAFY-MNOVXSKESA-N 0 0 213.321 2.108 50 0 BEAARN CC(=O)N1CC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000019016585 342941055 /nfs/dbraw/zinc/94/10/55/342941055.db2.gz TXLSBSINTPDWGT-NSHDSACASA-N 0 0 249.314 2.063 50 0 BEAARN CC(C)N1C(=S)N=NC1c1cccnc1 ZINC000019089738 342941374 /nfs/dbraw/zinc/94/13/74/342941374.db2.gz LHGOGSSATFKPDL-UHFFFAOYSA-N 0 0 220.301 2.210 50 0 BEAARN NN=c1nc[nH]c2sc3c(c21)CCCCC3 ZINC000004863320 398334167 /nfs/dbraw/zinc/33/41/67/398334167.db2.gz LZEOQQZABRMORS-UHFFFAOYSA-N 0 0 234.328 2.246 50 0 BEAARN C1CCN2C(C1)N1CCCCC1N1CCCCC21 ZINC000019229440 342944269 /nfs/dbraw/zinc/94/42/69/342944269.db2.gz DKOLZPGCABHTDG-UHFFFAOYSA-N 0 0 249.402 2.436 50 0 in-vitro BEAARN Cc1nsc(N[C@@H](C)c2ccccn2)n1 ZINC000083648016 398344172 /nfs/dbraw/zinc/34/41/72/398344172.db2.gz ALEFOIOLMDODMV-ZETCQYMHSA-N 0 0 220.301 2.415 50 0 BEAARN Cc1cc(C)cc(OCCCN2CCOCC2)c1 ZINC000019639316 342952937 /nfs/dbraw/zinc/95/29/37/342952937.db2.gz WSSXHXOOTKXWHN-UHFFFAOYSA-N 0 0 249.354 2.405 50 0 BEAARN Cc1ccc(O)c(C(=O)NC(C)(C)C)c1 ZINC000019837025 342959212 /nfs/dbraw/zinc/95/92/12/342959212.db2.gz FVFYICQVBNLVBX-UHFFFAOYSA-N 0 0 207.273 2.229 50 0 BEAARN COC(=O)[C@H](N)c1ccc(Cl)cc1Cl ZINC000020146317 342972108 /nfs/dbraw/zinc/97/21/08/342972108.db2.gz QAOMIBWFHLOTTI-MRVPVSSYSA-N 0 0 234.082 2.166 50 0 BEAARN CCc1cc(C(=O)NC2CCCCC2)no1 ZINC000020191914 342975861 /nfs/dbraw/zinc/97/58/61/342975861.db2.gz AAEQOAVYQLDITM-UHFFFAOYSA-N 0 0 222.288 2.300 50 0 BEAARN Nc1ccc(NCc2ccccc2F)nc1 ZINC000019961739 342964546 /nfs/dbraw/zinc/96/45/46/342964546.db2.gz APWSPLQPLJBMAC-UHFFFAOYSA-N 0 0 217.247 2.415 50 0 BEAARN Cc1ccc(F)c(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000020298387 342981264 /nfs/dbraw/zinc/98/12/64/342981264.db2.gz UXAYKSNIVRFHBB-UHFFFAOYSA-N 0 0 246.241 2.075 50 0 BEAARN O=C([O-])[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000020357909 342983599 /nfs/dbraw/zinc/98/35/99/342983599.db2.gz NRHVNQHBVQJPNQ-JTQLQIEISA-N 0 0 239.702 2.247 50 0 BEAARN Nc1ccc(-c2nc(-c3ccccn3)n[nH]2)cc1 ZINC000020725405 342994562 /nfs/dbraw/zinc/99/45/62/342994562.db2.gz VTQOHVNJXHOGPO-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN Cc1csc(CNC(=O)c2ccccc2O)n1 ZINC000021482240 343013795 /nfs/dbraw/zinc/01/37/95/343013795.db2.gz AJDMGBGEAFWPDZ-UHFFFAOYSA-N 0 0 248.307 2.087 50 0 BEAARN CC(C)(C)C(=O)CSc1nnc2ccccn21 ZINC000032945195 343031516 /nfs/dbraw/zinc/03/15/16/343031516.db2.gz YCMOCTPUFWOTKU-UHFFFAOYSA-N 0 0 249.339 2.437 50 0 BEAARN CCN(CC)C(=O)c1cc(C)ccc1O ZINC000012973861 346917849 /nfs/dbraw/zinc/91/78/49/346917849.db2.gz BNZLUVRRQMBWEK-UHFFFAOYSA-N 0 0 207.273 2.183 50 0 BEAARN CCN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H]1C ZINC000006699185 349782922 /nfs/dbraw/zinc/78/29/22/349782922.db2.gz DZOOTTSAJHPHAU-CMPLNLGQSA-N 0 0 218.300 2.086 50 0 BEAARN O=C([O-])[C@@H]1CC[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000022204788 343044311 /nfs/dbraw/zinc/04/43/11/343044311.db2.gz YTJTWNRDSJORDF-NXEZZACHSA-N 0 0 225.675 2.075 50 0 BEAARN CCCCC[C@@H](O)/C=C/C(OC)OC ZINC000022309200 343046091 /nfs/dbraw/zinc/04/60/91/343046091.db2.gz ATGIHMSJAARJTF-AAXQSMANSA-N 0 0 202.294 2.103 50 0 in-vitro BEAARN O=C1Cc2cc(F)c(Br)cc2N1 ZINC000022200114 343043896 /nfs/dbraw/zinc/04/38/96/343043896.db2.gz YWZPDMAAXMNKIP-UHFFFAOYSA-N 0 0 230.036 2.083 50 0 BEAARN CC(C)c1nnc2sc(C(F)(F)F)nn21 ZINC000024614215 343073659 /nfs/dbraw/zinc/07/36/59/343073659.db2.gz AWZPGCKLVPYOKU-UHFFFAOYSA-N 0 0 236.222 2.328 50 0 BEAARN COc1ccccc1-n1cc(C2CC2)nn1 ZINC000072155813 343062465 /nfs/dbraw/zinc/06/24/65/343062465.db2.gz JAKTYUUCBRUZSD-UHFFFAOYSA-N 0 0 215.256 2.153 50 0 BEAARN Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)C)c1 ZINC000013710137 178491719 /nfs/dbraw/zinc/49/17/19/178491719.db2.gz SJVJVWWASATPJG-NSHDSACASA-N 0 0 221.300 2.159 50 0 BEAARN CCCCC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000025881527 343096571 /nfs/dbraw/zinc/09/65/71/343096571.db2.gz ZLXQLQMYSLMTPB-UHFFFAOYSA-N 0 0 235.287 2.306 50 0 BEAARN Ic1cccc2[nH]cnc21 ZINC000026898752 343110659 /nfs/dbraw/zinc/11/06/59/343110659.db2.gz MOYBHUHLLQSMNP-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN Cc1ccc(C)c(S[C@H](C)C(N)=O)c1 ZINC000003499248 178493004 /nfs/dbraw/zinc/49/30/04/178493004.db2.gz QKTMMDKRXKNHSN-SECBINFHSA-N 0 0 209.314 2.269 50 0 BEAARN O=C1[C@@H](C(F)(F)F)CN1Cc1ccccc1 ZINC000025724861 343095271 /nfs/dbraw/zinc/09/52/71/343095271.db2.gz LIJGYWMRPFUAIR-VIFPVBQESA-N 0 0 229.201 2.207 50 0 BEAARN COC(=O)NCc1cccc(Br)c1 ZINC000013328827 362101933 /nfs/dbraw/zinc/10/19/33/362101933.db2.gz BRQIUVGNNUYTSB-UHFFFAOYSA-N 0 0 244.088 2.305 50 0 BEAARN Cc1cnc(NC(=O)c2cccnc2)s1 ZINC000013329785 362103621 /nfs/dbraw/zinc/10/36/21/362103621.db2.gz XXSRNALBMPPVQR-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN COc1ccc(O)c(C(=O)N(C)C2CCCC2)c1 ZINC000032901617 343112728 /nfs/dbraw/zinc/11/27/28/343112728.db2.gz LKYMHHXWANBIMP-UHFFFAOYSA-N 0 0 249.310 2.415 50 0 BEAARN Cc1nnc2n1N=C(c1ccccc1)[C@@H](C)S2 ZINC000027300547 343114645 /nfs/dbraw/zinc/11/46/45/343114645.db2.gz ILBIEFJNRRKDEL-MRVPVSSYSA-N 0 0 244.323 2.333 50 0 BEAARN COC(OC)c1oc2ccc(O)cc2c1C=O ZINC000029753667 343146441 /nfs/dbraw/zinc/14/64/41/343146441.db2.gz XKLWWCUGQQEBJU-UHFFFAOYSA-N 0 0 236.223 2.242 50 0 BEAARN Cc1cnc(NC(=O)/C=C/c2cccnc2)s1 ZINC000029839152 343147334 /nfs/dbraw/zinc/14/73/34/343147334.db2.gz AFJOGJDIHIRWSQ-SNAWJCMRSA-N 0 0 245.307 2.498 50 0 BEAARN CCOc1ccc(-c2nsc(N)n2)cc1 ZINC000027992086 343126451 /nfs/dbraw/zinc/12/64/51/343126451.db2.gz ZVGKCPCVOCHBRA-UHFFFAOYSA-N 0 0 221.285 2.186 50 0 BEAARN CC[C@@H](C)C(=O)NCCc1cn2ccccc2n1 ZINC000028509096 343129594 /nfs/dbraw/zinc/12/95/94/343129594.db2.gz FFQNVWVVVYDCPS-LLVKDONJSA-N 0 0 245.326 2.039 50 0 BEAARN Cc1cc(C)n(CC(=O)NC2CCCCCC2)n1 ZINC000031483871 343219797 /nfs/dbraw/zinc/21/97/97/343219797.db2.gz HPNQNXQBCTXWTC-UHFFFAOYSA-N 0 0 249.358 2.339 50 0 BEAARN CC(C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000031943899 343226546 /nfs/dbraw/zinc/22/65/46/343226546.db2.gz BNOPVYPYEDYVEW-UHFFFAOYSA-N 0 0 218.256 2.458 50 0 BEAARN O=C(OCC(F)(F)F)OCC(F)(F)F ZINC000032628175 343238920 /nfs/dbraw/zinc/23/89/20/343238920.db2.gz WLLOZRDOFANZMZ-UHFFFAOYSA-N 0 0 226.072 2.264 50 0 BEAARN CCOc1ncccc1C(=O)N[C@H](C)CC ZINC000032666548 343239789 /nfs/dbraw/zinc/23/97/89/343239789.db2.gz BRQBZYQYZRPHMK-SECBINFHSA-N 0 0 222.288 2.009 50 0 BEAARN CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NC1CC1 ZINC000072302925 343242025 /nfs/dbraw/zinc/24/20/25/343242025.db2.gz LAARUEAVPOZANF-ZJUUUORDSA-N 0 0 210.321 2.225 50 0 BEAARN CC(C)CC(=O)N[C@@H](C)c1cccnc1 ZINC000048332835 343244539 /nfs/dbraw/zinc/24/45/39/343244539.db2.gz MLWUQMRTTAACAU-JTQLQIEISA-N 0 0 206.289 2.305 50 0 BEAARN C[C@H](C[C@H]([NH3+])CC(=O)[O-])CC(C)(C)C ZINC000032919349 343244684 /nfs/dbraw/zinc/24/46/84/343244684.db2.gz SPLJOHIHQABPRC-BDAKNGLRSA-N 0 0 201.310 2.251 50 0 BEAARN O=[S@](c1ccc(F)cc1)C(F)(F)F ZINC000034109400 343264673 /nfs/dbraw/zinc/26/46/73/343264673.db2.gz ZJEHPWYIWGABEA-ZDUSSCGKSA-N 0 0 212.167 2.453 50 0 BEAARN CC(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000000302608 343269574 /nfs/dbraw/zinc/26/95/74/343269574.db2.gz PKMPTGGICUDYDI-LBPRGKRZSA-N 0 0 246.310 2.027 50 0 BEAARN CC(C)[C@H](Nc1ccccc1)N1C(=O)CCC1=O ZINC000000340798 343269937 /nfs/dbraw/zinc/26/99/37/343269937.db2.gz DMOCFKXLSRMVCC-CQSZACIVSA-N 0 0 246.310 2.230 50 0 BEAARN Nc1cc(Cl)c(N2CCCCC2)cc1N ZINC000016606325 343271004 /nfs/dbraw/zinc/27/10/04/343271004.db2.gz IVDAKQHWLXIFMV-UHFFFAOYSA-N 0 0 225.723 2.495 50 0 BEAARN O=C1CCCCN(Cc2ccccc2)C1 ZINC000034478329 343272097 /nfs/dbraw/zinc/27/20/97/343272097.db2.gz HGWZSFXXGQVVAQ-UHFFFAOYSA-N 0 0 203.285 2.242 50 0 BEAARN CSc1ncc(-c2ccccc2)nn1 ZINC000034588390 343275550 /nfs/dbraw/zinc/27/55/50/343275550.db2.gz DRNGUFZHTOCVQB-UHFFFAOYSA-N 0 0 203.270 2.261 50 0 BEAARN COC(=O)c1snc(-c2ccccc2)c1N ZINC000034925645 343280440 /nfs/dbraw/zinc/28/04/40/343280440.db2.gz BCLABDHRUQOVHX-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN CN(CCc1ccccn1)c1ccc(Cl)nn1 ZINC000034938211 343281591 /nfs/dbraw/zinc/28/15/91/343281591.db2.gz SUCCWESAFZWLPX-UHFFFAOYSA-N 0 0 248.717 2.204 50 0 BEAARN COc1ccc2c(c1)sc1nc(CO)cn21 ZINC000036456947 343319161 /nfs/dbraw/zinc/31/91/61/343319161.db2.gz ORNBQIBEFMMLKI-UHFFFAOYSA-N 0 0 234.280 2.050 50 0 BEAARN CCc1cc(=O)[nH]c(-c2ccc(F)cc2)n1 ZINC000036755162 343323486 /nfs/dbraw/zinc/32/34/86/343323486.db2.gz GZVBBWICNCRRLR-UHFFFAOYSA-N 0 0 218.231 2.138 50 0 BEAARN Nc1n[nH]c(C2CC2)c1-c1ccc2c(c1)OCO2 ZINC000036936220 343328410 /nfs/dbraw/zinc/32/84/10/343328410.db2.gz YJAIWDOJDAVHED-UHFFFAOYSA-N 0 0 243.266 2.265 50 0 BEAARN Cc1ccc(C)n1NC(=O)c1ccccc1 ZINC000000479733 178511297 /nfs/dbraw/zinc/51/12/97/178511297.db2.gz BKNCKUPTAVGZJL-UHFFFAOYSA-N 0 0 214.268 2.489 50 0 BEAARN Cn1c2onc(C3CC3)c2c(C(F)F)cc1=O ZINC000035655637 343301192 /nfs/dbraw/zinc/30/11/92/343301192.db2.gz LLUSNALQSXIGIJ-UHFFFAOYSA-N 0 0 240.209 2.342 50 0 BEAARN Nc1ccc(F)c(C(=O)Nc2cccnc2)c1 ZINC000035651250 343301277 /nfs/dbraw/zinc/30/12/77/343301277.db2.gz LZMQJVJIWKPPAH-UHFFFAOYSA-N 0 0 231.230 2.055 50 0 BEAARN Cc1cc(=O)n2c3ccccc3sc2n1 ZINC000000481148 343309234 /nfs/dbraw/zinc/30/92/34/343309234.db2.gz HYVKJTBSXPDKLK-UHFFFAOYSA-N 0 0 216.265 2.218 50 0 BEAARN Cc1cc(CN2CCC[C@](C)(F)C2)n(C)n1 ZINC000335631522 136300332 /nfs/dbraw/zinc/30/03/32/136300332.db2.gz APQMPZDAXNWIQL-LBPRGKRZSA-N 0 0 225.311 2.053 50 0 BEAARN Nc1ccc(O)c(NC(=O)Cc2ccccc2)c1 ZINC000038436554 343374627 /nfs/dbraw/zinc/37/46/27/343374627.db2.gz WVZKYIBGZBIVLD-UHFFFAOYSA-N 0 0 242.278 2.156 50 0 BEAARN Cc1cnn(Cc2cc(F)ccc2F)c1N ZINC000037233427 343340583 /nfs/dbraw/zinc/34/05/83/343340583.db2.gz XUPXJNQWWUIRON-UHFFFAOYSA-N 0 0 223.226 2.100 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000037423972 343345070 /nfs/dbraw/zinc/34/50/70/343345070.db2.gz MQEZPQHIAIRXQC-QMMMGPOBSA-N 0 0 234.082 2.468 50 0 BEAARN CN(C)Cc1ccc(N)cc1Br ZINC000037460457 343345958 /nfs/dbraw/zinc/34/59/58/343345958.db2.gz INGODICKVNXHMM-UHFFFAOYSA-N 0 0 229.121 2.093 50 0 BEAARN Nc1ncc2c(cccc2C(F)(F)F)n1 ZINC000038952167 343380841 /nfs/dbraw/zinc/38/08/41/343380841.db2.gz HTNKVZXYIUDZEK-UHFFFAOYSA-N 0 0 213.162 2.231 50 0 BEAARN COC(=O)CCc1ccc(O)c(Cl)c1 ZINC000039368559 343389679 /nfs/dbraw/zinc/38/96/79/343389679.db2.gz YWJSKUFRUWDAMN-UHFFFAOYSA-N 0 0 214.648 2.151 50 0 BEAARN Cc1ccc(CC(=O)Nc2ncccn2)cc1C ZINC000039404082 343389856 /nfs/dbraw/zinc/38/98/56/343389856.db2.gz MLYPEGYYUXADCL-UHFFFAOYSA-N 0 0 241.294 2.275 50 0 BEAARN CC(C)c1nc(-c2ccc(N)cc2)n[nH]1 ZINC000040175783 343398034 /nfs/dbraw/zinc/39/80/34/343398034.db2.gz KOAAFESDFSFLLV-UHFFFAOYSA-N 0 0 202.261 2.177 50 0 BEAARN O=c1c(Br)c[nH]c2c(F)cccc12 ZINC000041702009 343423215 /nfs/dbraw/zinc/42/32/15/343423215.db2.gz PXKSZDKDNPVFPM-UHFFFAOYSA-N 0 0 242.047 2.430 50 0 BEAARN Fc1ccc2ncc(Br)n2c1 ZINC000040566558 343406954 /nfs/dbraw/zinc/40/69/54/343406954.db2.gz HGFXJQASNPSBAZ-UHFFFAOYSA-N 0 0 215.025 2.236 50 0 BEAARN O=C(C1CCCC1)N1CCC(F)(F)C1 ZINC000335723993 136346549 /nfs/dbraw/zinc/34/65/49/136346549.db2.gz GELOUDQMXOMNMM-UHFFFAOYSA-N 0 0 203.232 2.044 50 0 BEAARN O=C(NC1CC1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000335705708 136335581 /nfs/dbraw/zinc/33/55/81/136335581.db2.gz YLWOZUHYVHZLBQ-NKWVEPMBSA-N 0 0 221.222 2.244 50 0 BEAARN CCN(CC)Cc1nc(CC(C)C)no1 ZINC000042682850 343447701 /nfs/dbraw/zinc/44/77/01/343447701.db2.gz RILFWHXLQIKGSS-UHFFFAOYSA-N 0 0 211.309 2.110 50 0 BEAARN Clc1cccc(NC[C@H]2CCCO2)n1 ZINC000042783998 343453723 /nfs/dbraw/zinc/45/37/23/343453723.db2.gz KYIJOIUDNHQPIL-MRVPVSSYSA-N 0 0 212.680 2.326 50 0 BEAARN CCN(N)Cc1ccccc1Br ZINC000044122923 343492222 /nfs/dbraw/zinc/49/22/22/343492222.db2.gz FTUUWSVNXZXIJK-UHFFFAOYSA-N 0 0 229.121 2.145 50 0 BEAARN C[C@@](O)(c1ccc(O)cc1)C(F)(F)F ZINC000043368152 343468487 /nfs/dbraw/zinc/46/84/87/343468487.db2.gz WNKAWMMGLNHYRT-MRVPVSSYSA-N 0 0 206.163 2.162 50 0 BEAARN CC[C@@H](C)NC(=O)CCc1c(C)noc1C ZINC000044715670 343512579 /nfs/dbraw/zinc/51/25/79/343512579.db2.gz GRRVHROCOFTYOJ-MRVPVSSYSA-N 0 0 224.304 2.139 50 0 BEAARN Cc1cc(=O)[nH]c(Nc2ccc(F)c(C)c2)n1 ZINC000044845848 343517543 /nfs/dbraw/zinc/51/75/43/343517543.db2.gz KWIIDXGRKJISRX-UHFFFAOYSA-N 0 0 233.246 2.269 50 0 BEAARN CCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000044868685 343518018 /nfs/dbraw/zinc/51/80/18/343518018.db2.gz GFTOVGNTWPLNOF-NSHDSACASA-N 0 0 219.284 2.427 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)CSCCOC ZINC000044911674 343519099 /nfs/dbraw/zinc/51/90/99/343519099.db2.gz LDPJHXACOPFBIS-LLVKDONJSA-N 0 0 245.388 2.157 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cn1 ZINC000044945299 343519613 /nfs/dbraw/zinc/51/96/13/343519613.db2.gz YCZJZZWTDKEYIH-ZDUSSCGKSA-N 0 0 230.311 2.363 50 0 BEAARN CC1(C)COC(c2ccccc2N)OC1 ZINC000045930450 343536213 /nfs/dbraw/zinc/53/62/13/343536213.db2.gz SUKOLULEUSLQJK-UHFFFAOYSA-N 0 0 207.273 2.340 50 0 BEAARN CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000004611331 343620559 /nfs/dbraw/zinc/62/05/59/343620559.db2.gz JJJNJXHDTMQBEK-LLVKDONJSA-N 0 0 248.326 2.157 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)/C=C/c1cnn(C)c1 ZINC000058355249 343699935 /nfs/dbraw/zinc/69/99/35/343699935.db2.gz UEBGSNFRRBULCL-SBDDDAINSA-N 0 0 247.342 2.224 50 0 BEAARN O=C(CCn1ccnc1)Nc1ccc(F)cc1 ZINC000021916644 343778407 /nfs/dbraw/zinc/77/84/07/343778407.db2.gz GWYXUYCRENVAKL-UHFFFAOYSA-N 0 0 233.246 2.051 50 0 BEAARN Cc1ccc2nc(C)c3c(c2c1)O[C@@H](CO)C3 ZINC000000519433 346963845 /nfs/dbraw/zinc/96/38/45/346963845.db2.gz JYADFPJSAPOQJR-SNVBAGLBSA-N 0 0 229.279 2.147 50 0 biogenic BEAARN CC(C)n1cc(NC(=O)c2cncc(F)c2)cn1 ZINC000128009656 343756124 /nfs/dbraw/zinc/75/61/24/343756124.db2.gz GFEKZUVQMSBLEP-UHFFFAOYSA-N 0 0 248.261 2.250 50 0 BEAARN CCc1nc(C)sc1-c1nnc(C)[nH]1 ZINC000065382319 343778825 /nfs/dbraw/zinc/77/88/25/343778825.db2.gz GSCNOINSFMNSFM-UHFFFAOYSA-N 0 0 208.290 2.107 50 0 BEAARN O=C(CCC1CCCCC1)N1CCC[C@@H](O)C1 ZINC000032720063 343779654 /nfs/dbraw/zinc/77/96/54/343779654.db2.gz QZGGMAZEEBPUSW-CYBMUJFWSA-N 0 0 239.359 2.330 50 0 BEAARN O=C(Oc1ccccn1)c1cccc(F)c1 ZINC000000523403 346975115 /nfs/dbraw/zinc/97/51/15/346975115.db2.gz FTSJAWMKWNKTDT-UHFFFAOYSA-N 0 0 217.199 2.440 50 0 BEAARN Cc1ccsc1C(=O)NCc1ccccn1 ZINC000020816045 349874818 /nfs/dbraw/zinc/87/48/18/349874818.db2.gz OLKFXIJPEJFHRM-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Cc1ncccc1C(=O)N[C@H](C)C(C)(F)F ZINC000334694775 343901185 /nfs/dbraw/zinc/90/11/85/343901185.db2.gz BVQIFSPAXRXZSC-MRVPVSSYSA-N 0 0 228.242 2.164 50 0 BEAARN O=C(OCCF)c1ccnc(OC2CCC2)c1 ZINC000097234710 344103004 /nfs/dbraw/zinc/10/30/04/344103004.db2.gz HRCKGLKKIZMYCG-UHFFFAOYSA-N 0 0 239.246 2.139 50 0 BEAARN Cc1nccc(N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000097212660 344097177 /nfs/dbraw/zinc/09/71/77/344097177.db2.gz YCZQDJZEXXTTIG-TXEJJXNPSA-N 0 0 215.300 2.187 50 0 BEAARN CCOc1ccc(C2=NN(CC)C(=O)CC2)cc1 ZINC000000051248 344100269 /nfs/dbraw/zinc/10/02/69/344100269.db2.gz HOFWFVMRCWUGAB-UHFFFAOYSA-N 0 0 246.310 2.432 50 0 BEAARN CSC(C)(C)COC(=O)c1ncoc1C ZINC000097230648 344102078 /nfs/dbraw/zinc/10/20/78/344102078.db2.gz VMQDXXDPBDXNNK-UHFFFAOYSA-N 0 0 229.301 2.281 50 0 BEAARN C=CC(=O)NCc1ccc2ccoc2c1 ZINC000585140419 344171701 /nfs/dbraw/zinc/17/17/01/344171701.db2.gz DFQLQUXHYUAKDS-UHFFFAOYSA-N 0 0 201.225 2.235 50 0 BEAARN CSc1ccccc1NC(=O)Cn1ccnc1 ZINC000010809338 344149230 /nfs/dbraw/zinc/14/92/30/344149230.db2.gz YGASMMPSVPNSPG-UHFFFAOYSA-N 0 0 247.323 2.244 50 0 BEAARN COCCCOc1cc(C=O)ccc1F ZINC000218532613 344240278 /nfs/dbraw/zinc/24/02/78/344240278.db2.gz VAYDAQLVERABPO-UHFFFAOYSA-N 0 0 212.220 2.054 50 0 BEAARN CC(C)c1nc(COc2ccccc2)cc(=O)[nH]1 ZINC000008462560 344202793 /nfs/dbraw/zinc/20/27/93/344202793.db2.gz PHRKUFRUBJGTJQ-UHFFFAOYSA-N 0 0 244.294 2.472 50 0 BEAARN FC1(F)CN[C@@H](c2noc(C3CCC3)n2)C1 ZINC000585146114 344205482 /nfs/dbraw/zinc/20/54/82/344205482.db2.gz BGJGVBDZFDCIBS-SSDOTTSWSA-N 0 0 229.230 2.007 50 0 BEAARN CC(C)CC(=O)NC(=O)NCc1ccccc1 ZINC000004815434 344321536 /nfs/dbraw/zinc/32/15/36/344321536.db2.gz RWMGPBMSLYUBGI-UHFFFAOYSA-N 0 0 234.299 2.059 50 0 BEAARN CCc1cnc(N(C)CCC2(O)CCCC2)nc1 ZINC000095359453 344334770 /nfs/dbraw/zinc/33/47/70/344334770.db2.gz AHKCCQSVDYQCMY-UHFFFAOYSA-N 0 0 249.358 2.170 50 0 BEAARN Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000095401726 344337524 /nfs/dbraw/zinc/33/75/24/344337524.db2.gz XWASLHNPRAFXNR-PHIMTYICSA-N 0 0 230.311 2.118 50 0 BEAARN CC1(C)CCN(C(=O)Nc2cccnc2)C1 ZINC000095403830 344337529 /nfs/dbraw/zinc/33/75/29/344337529.db2.gz VDMJNJWOZYQVMG-UHFFFAOYSA-N 0 0 219.288 2.345 50 0 BEAARN CC1(C)COCN1Cc1ccccc1F ZINC000072115239 344495779 /nfs/dbraw/zinc/49/57/79/344495779.db2.gz JSXALKJUJRFYDG-UHFFFAOYSA-N 0 0 209.264 2.394 50 0 BEAARN CCC[N@@H+]1C[C@H](Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000072233468 344519353 /nfs/dbraw/zinc/51/93/53/344519353.db2.gz QHWWDUVUCNSWNF-OLZOCXBDSA-N 0 0 249.310 2.003 50 0 BEAARN Cc1nc(CO)ncc1-c1cc(F)cc(F)c1 ZINC000072233414 344519383 /nfs/dbraw/zinc/51/93/83/344519383.db2.gz RCXMDUPQCDJAMD-UHFFFAOYSA-N 0 0 236.221 2.223 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1ccccc1C ZINC000044715384 344544601 /nfs/dbraw/zinc/54/46/01/344544601.db2.gz WQCGCGYJHOVMKE-LLVKDONJSA-N 0 0 205.301 2.452 50 0 BEAARN Cc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000000142683 344565155 /nfs/dbraw/zinc/56/51/55/344565155.db2.gz RNWRFZQMDQTFFB-UHFFFAOYSA-N 0 0 228.295 2.431 50 0 BEAARN CC(C)CNC(=O)Cc1ccc(F)cc1 ZINC000048090059 344583170 /nfs/dbraw/zinc/58/31/70/344583170.db2.gz JQBOASYJBUOUQH-UHFFFAOYSA-N 0 0 209.264 2.140 50 0 BEAARN Cc1ccc(CNC(=O)C(C)(C)C)cn1 ZINC000049200349 344600482 /nfs/dbraw/zinc/60/04/82/344600482.db2.gz GOWFVJRYLWEPIO-UHFFFAOYSA-N 0 0 206.289 2.052 50 0 BEAARN CCSc1cc(C)nc(NC(=O)CC)n1 ZINC000000242584 344657455 /nfs/dbraw/zinc/65/74/55/344657455.db2.gz JDWXJSNIZWVWHV-UHFFFAOYSA-N 0 0 225.317 2.246 50 0 BEAARN O=C(Oc1cccccc1=O)c1ccccc1 ZINC000000245196 344659101 /nfs/dbraw/zinc/65/91/01/344659101.db2.gz ZTPMGAMUGQNJMP-UHFFFAOYSA-N 0 0 226.231 2.266 50 0 biogenic BEAARN CCCC(=O)n1c2ccccc2oc1=O ZINC000000193473 344622280 /nfs/dbraw/zinc/62/22/80/344622280.db2.gz OZSFEMXHKKCVOA-UHFFFAOYSA-N 0 0 205.213 2.035 50 0 BEAARN CC1(C)C[C@@H](C(=O)Nc2nccs2)CCO1 ZINC000000205460 344640936 /nfs/dbraw/zinc/64/09/36/344640936.db2.gz ODRRGJNTJPGRRX-QMMMGPOBSA-N 0 0 240.328 2.287 50 0 BEAARN CCCC(=O)n1nc(-c2ccc(C)cc2)nc1N ZINC000000350053 344721583 /nfs/dbraw/zinc/72/15/83/344721583.db2.gz YILMSWBQWNALGJ-UHFFFAOYSA-N 0 0 244.298 2.276 50 0 BEAARN Cc1oc2ccc(O)cc2c1C(=O)N(C)C ZINC000000307953 344687686 /nfs/dbraw/zinc/68/76/86/344687686.db2.gz NNTPBHNKWNLDQM-UHFFFAOYSA-N 0 0 219.240 2.149 50 0 BEAARN Clc1ccc(OC[C@@H]2COCCO2)cc1 ZINC000000312361 344691116 /nfs/dbraw/zinc/69/11/16/344691116.db2.gz LKTQYVWEEDMUBR-NSHDSACASA-N 0 0 228.675 2.134 50 0 BEAARN CCCc1nnc(NC(=O)CC(C)C)s1 ZINC000000322869 344698776 /nfs/dbraw/zinc/69/87/76/344698776.db2.gz YEOMJRWSQAPNFU-UHFFFAOYSA-N 0 0 227.333 2.475 50 0 BEAARN O=C(CN1CCCCC1)c1ccc(F)cc1 ZINC000004899047 344794723 /nfs/dbraw/zinc/79/47/23/344794723.db2.gz VAAXKNBMIRDXMN-UHFFFAOYSA-N 0 0 221.275 2.494 50 0 BEAARN C[C@@H]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000068778962 133529408 /nfs/dbraw/zinc/52/94/08/133529408.db2.gz LNDXKIGYNMGVHH-LLVKDONJSA-N 0 0 225.332 2.062 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1F ZINC000006586385 178744225 /nfs/dbraw/zinc/74/42/25/178744225.db2.gz OWMRBISUUIJNSA-NSHDSACASA-N 0 0 223.247 2.252 50 0 BEAARN NC(=O)c1ccccc1OC1CCCCC1 ZINC000095401264 323079425 /nfs/dbraw/zinc/07/94/25/323079425.db2.gz ZVNAOOSZEVZBJD-UHFFFAOYSA-N 0 0 219.284 2.497 50 0 BEAARN Fc1ccc(Nc2ncnc3n[nH]cc32)c(F)c1 ZINC000011856422 345038473 /nfs/dbraw/zinc/03/84/73/345038473.db2.gz ZQLBIQYFDNWVHG-UHFFFAOYSA-N 0 0 247.208 2.375 50 0 BEAARN Cc1ccc(OCc2ccccc2)nn1 ZINC000001692103 178816287 /nfs/dbraw/zinc/81/62/87/178816287.db2.gz KTZFXIGWMRGKRQ-UHFFFAOYSA-N 0 0 200.241 2.364 50 0 BEAARN Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000002888891 178825017 /nfs/dbraw/zinc/82/50/17/178825017.db2.gz NFQYAPFXDIJTAB-UHFFFAOYSA-N 0 0 245.369 2.231 50 0 BEAARN O=C(c1ccon1)N1CC[C@H]2CCCC[C@H]21 ZINC000072057293 537902749 /nfs/dbraw/zinc/90/27/49/537902749.db2.gz ZZSDUACRBVLCLG-MWLCHTKSSA-N 0 0 220.272 2.079 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@H]2C1 ZINC000204151335 345731960 /nfs/dbraw/zinc/73/19/60/345731960.db2.gz HPFKVUIIKVASNH-VHSXEESVSA-N 0 0 227.304 2.032 50 0 BEAARN c1cnc(-c2nnc(NC3CCCCC3)o2)cn1 ZINC000074384152 345823505 /nfs/dbraw/zinc/82/35/05/345823505.db2.gz CPAJJWTXMJFHGG-UHFFFAOYSA-N 0 0 245.286 2.271 50 0 BEAARN CCc1cc(=O)[nH]c(Nc2ccc(F)cc2)n1 ZINC000005183583 345816156 /nfs/dbraw/zinc/81/61/56/345816156.db2.gz VSUNMUDKFAGITM-UHFFFAOYSA-N 0 0 233.246 2.215 50 0 BEAARN CN(C)c1ccc(-c2ccncc2N)cc1 ZINC000166763127 345784388 /nfs/dbraw/zinc/78/43/88/345784388.db2.gz IMYGVQTXBFKPPQ-UHFFFAOYSA-N 0 0 213.284 2.397 50 0 BEAARN Cc1ccc([C@H](O)c2ccccn2)cc1N ZINC000170619941 178916277 /nfs/dbraw/zinc/91/62/77/178916277.db2.gz JGMVHZLFGANPDV-ZDUSSCGKSA-N 0 0 214.268 2.054 50 0 BEAARN COC(=O)CCc1c[nH]c2ccc(OC)cc12 ZINC000141126474 345837340 /nfs/dbraw/zinc/83/73/40/345837340.db2.gz UJZCGIMHNVFNMZ-UHFFFAOYSA-N 0 0 233.267 2.282 50 0 BEAARN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(N)=O ZINC000000551312 178935626 /nfs/dbraw/zinc/93/56/26/178935626.db2.gz KQWPYXBWZWLRMZ-SNVBAGLBSA-N 0 0 228.295 2.382 50 0 BEAARN CCCCCC[C@@H]1C[C@H](C)N(CCO)C1=O ZINC000005244868 345955051 /nfs/dbraw/zinc/95/50/51/345955051.db2.gz OGJHQQJFKJKOEB-NWDGAFQWSA-N 0 0 227.348 2.186 50 0 BEAARN Cc1ccc(F)cc1Cn1ccc([C@@H](C)O)n1 ZINC000187227516 345967593 /nfs/dbraw/zinc/96/75/93/345967593.db2.gz MBGOUIHXIMLCTL-SNVBAGLBSA-N 0 0 234.274 2.432 50 0 BEAARN CCOCCCC(=O)N=[S@](C)(=O)C(C)(C)C ZINC000685945132 537934867 /nfs/dbraw/zinc/93/48/67/537934867.db2.gz XGKRJLCRYAOXKN-MRXNPFEDSA-N 0 0 249.376 2.226 50 0 BEAARN Cc1ccc2nc(C3CC3)[nH]c(=O)c2c1 ZINC000095369324 178975023 /nfs/dbraw/zinc/97/50/23/178975023.db2.gz NMYZHJBAGWUSBB-UHFFFAOYSA-N 0 0 200.241 2.109 50 0 BEAARN CCC(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000192055468 346079929 /nfs/dbraw/zinc/07/99/29/346079929.db2.gz DXSPGCGMUWFQCX-WFASDCNBSA-N 0 0 249.354 2.142 50 0 BEAARN O=c1ccc(C=CBr)c[nH]1 ZINC000685964500 537945700 /nfs/dbraw/zinc/94/57/00/537945700.db2.gz KCKLXMWHQXKQMP-ONEGZZNKSA-N 0 0 200.035 2.153 50 0 BEAARN CCCC(=O)NC(=O)N[C@@H](C)c1ccccc1 ZINC000002408670 168545003 /nfs/dbraw/zinc/54/50/03/168545003.db2.gz SBBLVXVTLKVZTE-JTQLQIEISA-N 0 0 234.299 2.374 50 0 BEAARN Cc1c(C(=O)N(C)C)cnn1-c1cccc(C)c1 ZINC000006773779 179001030 /nfs/dbraw/zinc/00/10/30/179001030.db2.gz FLJBUTAZHDLPOJ-UHFFFAOYSA-N 0 0 243.310 2.191 50 0 BEAARN CC(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000005440729 346225586 /nfs/dbraw/zinc/22/55/86/346225586.db2.gz NQJKVZBQHNLNAD-UHFFFAOYSA-N 0 0 232.283 2.080 50 0 BEAARN Cc1cccc(C(=O)NCCc2cccs2)n1 ZINC000025095225 179017114 /nfs/dbraw/zinc/01/71/14/179017114.db2.gz TVXJPTYDWJYFFX-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN CSc1nc2ccccc2c(N(C)C)n1 ZINC000005525042 346245922 /nfs/dbraw/zinc/24/59/22/346245922.db2.gz KGOWOUCRJSTHHU-UHFFFAOYSA-N 0 0 219.313 2.418 50 0 BEAARN Fc1cnc2nc(Cl)nc(Cl)c2c1 ZINC000095629783 346251898 /nfs/dbraw/zinc/25/18/98/346251898.db2.gz UTXNBSZGIUHQOL-UHFFFAOYSA-N 0 0 218.018 2.471 50 0 BEAARN Cc1nc(N)sc1-c1ccnc(C2CC2)n1 ZINC000095629761 346251906 /nfs/dbraw/zinc/25/19/06/346251906.db2.gz QGRFIFYWZXQQJX-UHFFFAOYSA-N 0 0 232.312 2.368 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005555645 346252129 /nfs/dbraw/zinc/25/21/29/346252129.db2.gz IUNLWISKZNCPQG-CBAPKCEASA-N 0 0 219.240 2.010 50 0 BEAARN Cc1cccc(C(=O)NCC(=O)C(C)(C)C)c1 ZINC000072256816 179014973 /nfs/dbraw/zinc/01/49/73/179014973.db2.gz DKERRRGKYABDGL-UHFFFAOYSA-N 0 0 233.311 2.340 50 0 BEAARN Cc1cccc(C)c1OCC1N=NC(=S)N1C ZINC000006557024 179047562 /nfs/dbraw/zinc/04/75/62/179047562.db2.gz YECKHZMWTIKHRR-UHFFFAOYSA-N 0 0 249.339 2.300 50 0 BEAARN Cn1ccc(NC(=O)Nc2ccccc2)n1 ZINC000000080653 346403815 /nfs/dbraw/zinc/40/38/15/346403815.db2.gz IUUWNFGQOFOLOE-UHFFFAOYSA-N 0 0 216.244 2.064 50 0 BEAARN Cc1nonc1-c1cn2cc(Cl)ccc2n1 ZINC000000275858 346406169 /nfs/dbraw/zinc/40/61/69/346406169.db2.gz GMLHKGIXBFOKME-UHFFFAOYSA-N 0 0 234.646 2.346 50 0 BEAARN Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000020266777 179077621 /nfs/dbraw/zinc/07/76/21/179077621.db2.gz WFOOVVKHILZLJI-GFCCVEGCSA-N 0 0 219.284 2.044 50 0 BEAARN Cn1cnnc1SCc1ccccc1F ZINC000000386254 346415953 /nfs/dbraw/zinc/41/59/53/346415953.db2.gz MNBMAVKJLYOHPN-UHFFFAOYSA-N 0 0 223.276 2.247 50 0 BEAARN Cc1ccc(CC(=O)NC(C)(C)C)cc1 ZINC000000578080 346419776 /nfs/dbraw/zinc/41/97/76/346419776.db2.gz GHPIVLQFEOCJLF-UHFFFAOYSA-N 0 0 205.301 2.452 50 0 BEAARN Cc1cc(C)nc(NC(=O)C2CCCC2)n1 ZINC000000972023 346427507 /nfs/dbraw/zinc/42/75/07/346427507.db2.gz NCLZYQFHFRUIHH-UHFFFAOYSA-N 0 0 219.288 2.222 50 0 BEAARN Cc1cccc(F)c1NCc1nccn1C ZINC000096493875 179111650 /nfs/dbraw/zinc/11/16/50/179111650.db2.gz ZBQJJRJVTKDSGL-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN Cc1cccc(N)c1I ZINC000032629190 179119187 /nfs/dbraw/zinc/11/91/87/179119187.db2.gz GVVUQVPDBMPZKL-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN Cc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000017975726 179122171 /nfs/dbraw/zinc/12/21/71/179122171.db2.gz NNYVLLMUHSKINZ-STQMWFEESA-N 0 0 241.290 2.451 50 0 BEAARN Cc1cccc(N2NC(C)(C)NC2=S)c1C ZINC000004311559 179124248 /nfs/dbraw/zinc/12/42/48/179124248.db2.gz NKSLARRQFHOIJR-UHFFFAOYSA-N 0 0 235.356 2.239 50 0 BEAARN C[C@@](O)(CCO)C12CC3CC(CC(C3)C1)C2 ZINC000004321839 346599781 /nfs/dbraw/zinc/59/97/81/346599781.db2.gz AYTFFACXPPDYFK-JEFIIJIESA-N 0 0 224.344 2.336 50 0 BEAARN CC(C)(C)C1=C[C@](O)(C(C)(C)C)OC1=O ZINC000004419577 346603145 /nfs/dbraw/zinc/60/31/45/346603145.db2.gz JHMQKONPMTWJSW-GFCCVEGCSA-N 0 0 212.289 2.250 50 0 BEAARN Cc1cccc(NC(=O)CC2(O)CCCC2)c1O ZINC000095431897 179126522 /nfs/dbraw/zinc/12/65/22/179126522.db2.gz HAWSRGIAAYPRIE-UHFFFAOYSA-N 0 0 249.310 2.334 50 0 BEAARN CCCCCNS(=O)(=O)c1ccccc1 ZINC000004832109 346609470 /nfs/dbraw/zinc/60/94/70/346609470.db2.gz XIDOZGRWMHOSFW-UHFFFAOYSA-N 0 0 227.329 2.155 50 0 BEAARN CCSc1nc(O)c([C@H](C)CC)c(=O)[nH]1 ZINC000005072914 346609692 /nfs/dbraw/zinc/60/96/92/346609692.db2.gz MGHXHXZCUCWPRM-ZCFIWIBFSA-N 0 0 228.317 2.101 50 0 BEAARN Cc1noc(C)c1C(=O)Nc1cccc(C)n1 ZINC000040462311 179141154 /nfs/dbraw/zinc/14/11/54/179141154.db2.gz FAEKKPGDJPHWJY-UHFFFAOYSA-N 0 0 231.255 2.247 50 0 BEAARN Cc1cccc(NC(=O)c2cnsn2)c1 ZINC000000935410 179142567 /nfs/dbraw/zinc/14/25/67/179142567.db2.gz RQAZNYDVWZEFAS-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1cnc(Cc2ccccc2Cl)[nH]c1=O ZINC000008462085 346677489 /nfs/dbraw/zinc/67/74/89/346677489.db2.gz DHSVOABGAFVLHX-UHFFFAOYSA-N 0 0 234.686 2.323 50 0 BEAARN CC(=O)c1c(C)c2ccccc2oc1=O ZINC000000482117 346692555 /nfs/dbraw/zinc/69/25/55/346692555.db2.gz IWXTVAUZLMYLJP-UHFFFAOYSA-N 0 0 202.209 2.304 50 0 BEAARN Cc1cccc(OCC(=O)Nc2ccncc2)c1 ZINC000000327349 179162854 /nfs/dbraw/zinc/16/28/54/179162854.db2.gz CBGOQEISDONUCB-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN Nc1ccc2ncnc3c2c1C(=O)c1ccccc1-3 ZINC000000488204 346798410 /nfs/dbraw/zinc/79/84/10/346798410.db2.gz UAWKAJMVJJHNNE-UHFFFAOYSA-N 0 0 247.257 2.423 50 0 biogenic BEAARN Cc1cccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000040161791 179167875 /nfs/dbraw/zinc/16/78/75/179167875.db2.gz IMIYYNWKYBWOJH-OKILXGFUSA-N 0 0 249.354 2.483 50 0 BEAARN Cc1cccc(OCc2nnc(N)s2)c1 ZINC000000311331 179173350 /nfs/dbraw/zinc/17/33/50/179173350.db2.gz LEHTXDBYRBMBGG-UHFFFAOYSA-N 0 0 221.285 2.008 50 0 BEAARN Cc1cccc(O[C@@H](C)C(=O)N(C)C)c1C ZINC000012940285 179173468 /nfs/dbraw/zinc/17/34/68/179173468.db2.gz GGMPSHKMYOITOC-NSHDSACASA-N 0 0 221.300 2.159 50 0 BEAARN Cc1cccc(O[C@H](C)C(=O)NC2CC2)c1C ZINC000032488002 179174376 /nfs/dbraw/zinc/17/43/76/179174376.db2.gz XNLOTUHDEMACJE-LLVKDONJSA-N 0 0 233.311 2.349 50 0 BEAARN Cc1ccc2c(CC(N)=O)coc2c1C ZINC000016607455 347195800 /nfs/dbraw/zinc/19/58/00/347195800.db2.gz OXJTYBMEBZPIHC-UHFFFAOYSA-N 0 0 203.241 2.077 50 0 BEAARN Cc1cccc([C@H]2CCCN2S(C)(=O)=O)c1 ZINC000035476426 179204483 /nfs/dbraw/zinc/20/44/83/179204483.db2.gz MSPUTABRSHFLEZ-GFCCVEGCSA-N 0 0 239.340 2.092 50 0 BEAARN CCc1ccc(C(=O)Nc2nncs2)s1 ZINC000013746574 362802845 /nfs/dbraw/zinc/80/28/45/362802845.db2.gz SCLIPEJSNGRVND-UHFFFAOYSA-N 0 0 239.325 2.414 50 0 BEAARN CC(C)(C)OC(=O)c1ccnc(Cl)n1 ZINC000077915506 347256546 /nfs/dbraw/zinc/25/65/46/347256546.db2.gz DTBOSTXRCSWYRK-UHFFFAOYSA-N 0 0 214.652 2.085 50 0 BEAARN c1ncn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000004762806 347323535 /nfs/dbraw/zinc/32/35/35/347323535.db2.gz ZBBZETXZKFHHLA-UHFFFAOYSA-N 0 0 203.289 2.203 50 0 BEAARN CCCCCOCC(=O)Nc1n[nH]c(C)c1C ZINC000590474327 347306185 /nfs/dbraw/zinc/30/61/85/347306185.db2.gz ZVLOBQLHARHKEC-UHFFFAOYSA-N 0 0 239.319 2.172 50 0 BEAARN Cc1ccoc1CNC(=O)[C@]1(C)CC1(F)F ZINC000335601025 136741822 /nfs/dbraw/zinc/74/18/22/136741822.db2.gz RSFCZDIFOYMHJQ-JTQLQIEISA-N 0 0 229.226 2.250 50 0 BEAARN Cc1cccc2c1ncc1c2OCCOC1=O ZINC000053994752 179226009 /nfs/dbraw/zinc/22/60/09/179226009.db2.gz CEVBCYZTBFVXBE-UHFFFAOYSA-N 0 0 229.235 2.092 50 0 biogenic BEAARN CC(C)(C)NC(=O)Cc1cccc(F)c1 ZINC000019934862 347377567 /nfs/dbraw/zinc/37/75/67/347377567.db2.gz HBPMZEDGGNYSOI-UHFFFAOYSA-N 0 0 209.264 2.283 50 0 BEAARN Cc1ccc(C)c(-n2cc(C=O)cn2)c1 ZINC000036720444 347445378 /nfs/dbraw/zinc/44/53/78/347445378.db2.gz YJERKUNXFGQHLL-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1ccccc1-n1nc2c(c1N)CCC2 ZINC000083740157 179242233 /nfs/dbraw/zinc/24/22/33/179242233.db2.gz RFHKMJGDTAHEDV-UHFFFAOYSA-N 0 0 213.284 2.252 50 0 BEAARN Cc1ccccc1-n1cnnc1SCCCO ZINC000040456798 179242558 /nfs/dbraw/zinc/24/25/58/179242558.db2.gz IPRXHEOKLWZBKX-UHFFFAOYSA-N 0 0 249.339 2.050 50 0 BEAARN Cc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1O ZINC000010543053 179245387 /nfs/dbraw/zinc/24/53/87/179245387.db2.gz MGQBKQAMLIAAJN-KGLIPLIRSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1ccc(NC(=O)c2ccc(C)nc2)nc1 ZINC000012545796 347470957 /nfs/dbraw/zinc/47/09/57/347470957.db2.gz CFQCJSSHVQQMPN-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN Cc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000005549054 179248839 /nfs/dbraw/zinc/24/88/39/179248839.db2.gz MVQZCCWEAFWRJS-RYUDHWBXSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1ccccc1CC(=O)NCC(C)C ZINC000006698671 179257166 /nfs/dbraw/zinc/25/71/66/179257166.db2.gz SMGZXLOOEAKKHF-UHFFFAOYSA-N 0 0 205.301 2.310 50 0 BEAARN Cc1ccccc1CC(=O)N1CCCC1 ZINC000006742506 179257411 /nfs/dbraw/zinc/25/74/11/179257411.db2.gz POVIKIHVCVHSQC-UHFFFAOYSA-N 0 0 203.285 2.160 50 0 BEAARN Cc1ccccc1CN(C)[C@H]1C[C@H](C)OC1=O ZINC000040477634 179270751 /nfs/dbraw/zinc/27/07/51/179270751.db2.gz UTEPJJPZARQIRX-AAEUAGOBSA-N 0 0 233.311 2.131 50 0 BEAARN CCn1nccc1CCOC(=O)c1occc1C ZINC000195577876 347648595 /nfs/dbraw/zinc/64/85/95/347648595.db2.gz QSEJSVXRELGIIG-UHFFFAOYSA-N 0 0 248.282 2.204 50 0 BEAARN Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C ZINC000032678664 179279607 /nfs/dbraw/zinc/27/96/07/179279607.db2.gz SHDVIQPUDSDHMT-JQWIXIFHSA-N 0 0 203.285 2.267 50 0 BEAARN Cc1ccccc1NC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000075156878 179300837 /nfs/dbraw/zinc/30/08/37/179300837.db2.gz QXCLZEOEDNASQA-RYUDHWBXSA-N 0 0 248.326 2.420 50 0 BEAARN Cc1ccccc1NC(=O)[C@@H]1CC(=O)OC1(C)C ZINC000000468677 179301381 /nfs/dbraw/zinc/30/13/81/179301381.db2.gz ATMSPCFBNONWNE-JTQLQIEISA-N 0 0 247.294 2.275 50 0 BEAARN Cc1ccccc1NC(=O)c1cnsn1 ZINC000001790876 179303586 /nfs/dbraw/zinc/30/35/86/179303586.db2.gz GRKUNYHWHGGADM-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1ccccc1NC(=O)C1CCOCC1 ZINC000009048232 179297835 /nfs/dbraw/zinc/29/78/35/179297835.db2.gz YKFBILVKGDQNCM-UHFFFAOYSA-N 0 0 219.284 2.360 50 0 BEAARN Cc1ccccc1N[C@H]1SC(=O)N(C)C1=O ZINC000004450741 179307021 /nfs/dbraw/zinc/30/70/21/179307021.db2.gz QWKVLAOGYIBIKG-VIFPVBQESA-N 0 0 236.296 2.058 50 0 BEAARN Cc1ccccc1OCC(=O)NCC(C)C ZINC000000130068 179309045 /nfs/dbraw/zinc/30/90/45/179309045.db2.gz KXBQMVOVMSAVHT-UHFFFAOYSA-N 0 0 221.300 2.146 50 0 BEAARN Cc1ccccc1OCC(=O)Nc1ccon1 ZINC000016605009 179309596 /nfs/dbraw/zinc/30/95/96/179309596.db2.gz WNWVUZFUWOSBTJ-UHFFFAOYSA-N 0 0 232.239 2.001 50 0 BEAARN Cc1ccccc1S(=O)(=O)CCOC(C)C ZINC000083025131 179314668 /nfs/dbraw/zinc/31/46/68/179314668.db2.gz LISASODBROCEHX-UHFFFAOYSA-N 0 0 242.340 2.194 50 0 BEAARN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)[O-] ZINC000049354069 179321973 /nfs/dbraw/zinc/32/19/73/179321973.db2.gz RGMGHSPKOOBDDI-ZJUUUORDSA-N 0 0 207.273 2.119 50 0 BEAARN Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)[O-] ZINC000049354081 179338475 /nfs/dbraw/zinc/33/84/75/179338475.db2.gz RGMGHSPKOOBDDI-VHSXEESVSA-N 0 0 207.273 2.119 50 0 BEAARN Cc1csc(CNC(=O)[C@@H]2CC=CCC2)n1 ZINC000021482101 349980691 /nfs/dbraw/zinc/98/06/91/349980691.db2.gz MIKOKYALHHAZAI-SNVBAGLBSA-N 0 0 236.340 2.424 50 0 BEAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000170621092 187390577 /nfs/dbraw/zinc/39/05/77/187390577.db2.gz WMCIENSNBKBGKV-IDTSFGKNSA-N 0 0 247.338 2.230 50 0 BEAARN Cc1cccnc1CNc1cncc(Cl)n1 ZINC000069663109 179383740 /nfs/dbraw/zinc/38/37/40/179383740.db2.gz WFFPOAYNHZVHGU-UHFFFAOYSA-N 0 0 234.690 2.446 50 0 BEAARN Cc1cccnc1NC(=O)c1ccccc1O ZINC000015108607 179393951 /nfs/dbraw/zinc/39/39/51/179393951.db2.gz OXXQBRDFSLHNQE-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN Cc1ccnc(NC(=O)CCC(F)(F)F)n1 ZINC000194663852 179435057 /nfs/dbraw/zinc/43/50/57/179435057.db2.gz IGEAFUIZDUKCQL-UHFFFAOYSA-N 0 0 233.193 2.066 50 0 BEAARN Cc1cn([C@H](C)c2ccccc2)nc1N ZINC000069901993 179560370 /nfs/dbraw/zinc/56/03/70/179560370.db2.gz ZIPICRBLGVTJKQ-SNVBAGLBSA-N 0 0 201.273 2.383 50 0 BEAARN Cc1cnc(NC(=O)c2c(C)noc2C)s1 ZINC000007779083 179629187 /nfs/dbraw/zinc/62/91/87/179629187.db2.gz MEXSJOPFCQBMDV-UHFFFAOYSA-N 0 0 237.284 2.309 50 0 BEAARN Cc1cnc(NC(=O)c2ccco2)s1 ZINC000000253453 179630545 /nfs/dbraw/zinc/63/05/45/179630545.db2.gz ATYMTSQESJVQLV-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN Cc1cncc(CN2CCC[C@H]2c2cc[nH]n2)c1 ZINC000286114444 179666094 /nfs/dbraw/zinc/66/60/94/179666094.db2.gz LUCJMAVCKKBTEK-AWEZNQCLSA-N 0 0 242.326 2.450 50 0 BEAARN COC(=O)CCC(=O)Nc1cccc(C)c1C ZINC000005508761 348919746 /nfs/dbraw/zinc/91/97/46/348919746.db2.gz NXYTXHSGGMNOBV-UHFFFAOYSA-N 0 0 235.283 2.195 50 0 BEAARN Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000000058313 187407243 /nfs/dbraw/zinc/40/72/43/187407243.db2.gz WVHVEKNMMTUUCR-UHFFFAOYSA-N 0 0 219.313 2.461 50 0 BEAARN CC(=O)CCc1ccc(OC(C)=O)cc1 ZINC000001671375 187409268 /nfs/dbraw/zinc/40/92/68/187409268.db2.gz UMIKWXDGXDJQJK-UHFFFAOYSA-N 0 0 206.241 2.134 50 0 endogenous,in-man BEAARN CC1N=NC(=O)O[C@@]1(C)Cc1ccccc1 ZINC000006668609 187412940 /nfs/dbraw/zinc/41/29/40/187412940.db2.gz UOXCSMYSSVNXJD-LBPRGKRZSA-N 0 0 218.256 2.104 50 0 BEAARN Nc1nc2c(s1)C[C@@H](C(F)(F)F)CC2 ZINC000082862544 538023849 /nfs/dbraw/zinc/02/38/49/538023849.db2.gz UJDBCDLQSHOLJD-BYPYZUCNSA-N 0 0 222.235 2.393 50 0 BEAARN Clc1nc(Br)cn2ccnc12 ZINC000040448554 187427832 /nfs/dbraw/zinc/42/78/32/187427832.db2.gz QIRIACFCTBDGFD-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Fc1cccc(NC(=S)NC2CC2)c1 ZINC000007558633 187413444 /nfs/dbraw/zinc/41/34/44/187413444.db2.gz QCCPATXZTIERJK-UHFFFAOYSA-N 0 0 210.277 2.275 50 0 BEAARN CC(C)(C)c1cc(N)n(-c2cccnc2)n1 ZINC000042684225 187431171 /nfs/dbraw/zinc/43/11/71/187431171.db2.gz PKZOPZWDEDXAED-UHFFFAOYSA-N 0 0 216.288 2.147 50 0 BEAARN Cc1csc(NC(=O)c2ccoc2)n1 ZINC000013019855 179788463 /nfs/dbraw/zinc/78/84/63/179788463.db2.gz LVFGRATXTJNXKA-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN Cc1n[nH]c(=O)n1-c1ccc(C(C)(C)C)cc1 ZINC000013597178 179814339 /nfs/dbraw/zinc/81/43/39/179814339.db2.gz CYLLDWQGYSJIGX-UHFFFAOYSA-N 0 0 231.299 2.167 50 0 BEAARN Cc1n[nH]cc1NC(=O)NCc1ccc(F)cc1 ZINC000058006996 179860768 /nfs/dbraw/zinc/86/07/68/179860768.db2.gz NUGCMFHDYKLDRR-UHFFFAOYSA-N 0 0 248.261 2.179 50 0 BEAARN Cc1ccc(C(=O)CCC(=O)N(C)C)s1 ZINC000047339948 187434753 /nfs/dbraw/zinc/43/47/53/187434753.db2.gz XGLMKRMBNRCKPT-UHFFFAOYSA-N 0 0 225.313 2.108 50 0 BEAARN Cc1nc(-c2cccnc2)sc1CO ZINC000032010660 179868881 /nfs/dbraw/zinc/86/88/81/179868881.db2.gz XJOHJGGUDYVDDS-UHFFFAOYSA-N 0 0 206.270 2.006 50 0 BEAARN CC(=O)n1ncc2cc(Br)ccc21 ZINC000034515670 190985613 /nfs/dbraw/zinc/98/56/13/190985613.db2.gz IFPRNHHJTZSJAM-UHFFFAOYSA-N 0 0 239.072 2.459 50 0 BEAARN Brc1c[nH]nc1C1CCC1 ZINC000242688244 349427588 /nfs/dbraw/zinc/42/75/88/349427588.db2.gz VLYANEUKGQQIGS-UHFFFAOYSA-N 0 0 201.067 2.440 50 0 BEAARN Fc1cnc(-c2cccnc2)nc1N1CCCC1 ZINC000205568155 350003304 /nfs/dbraw/zinc/00/33/04/350003304.db2.gz BVCTZLUGEYJOKB-UHFFFAOYSA-N 0 0 244.273 2.278 50 0 BEAARN CC(C)[C@H](C)CC(=O)Nc1ncccc1O ZINC000069369004 191002204 /nfs/dbraw/zinc/00/22/04/191002204.db2.gz KDGRIDAMZGUNIO-SECBINFHSA-N 0 0 222.288 2.408 50 0 BEAARN CC(C)C[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC000073189958 191005276 /nfs/dbraw/zinc/00/52/76/191005276.db2.gz GKMSKOKQHRLOJO-STQMWFEESA-N 0 0 249.358 2.339 50 0 BEAARN Cc1nc(NC(=O)C2CCOCC2)sc1C ZINC000036391294 180005035 /nfs/dbraw/zinc/00/50/35/180005035.db2.gz AHGROSWTZNIGSG-UHFFFAOYSA-N 0 0 240.328 2.125 50 0 BEAARN Cc1nc(NC(=O)C(C)C)nc2c1CCCC2 ZINC000032765264 180005558 /nfs/dbraw/zinc/00/55/58/180005558.db2.gz TZJSTOOQRIVLJF-UHFFFAOYSA-N 0 0 233.315 2.258 50 0 BEAARN Cc1nc(NC(=O)NCc2ccco2)oc1C ZINC000049203643 180010138 /nfs/dbraw/zinc/01/01/38/180010138.db2.gz JPCYLASZIAADFM-UHFFFAOYSA-N 0 0 235.243 2.206 50 0 BEAARN Cc1nc(SCC(C)C)sc1CC(N)=O ZINC000022487282 180030959 /nfs/dbraw/zinc/03/09/59/180030959.db2.gz ZPJODUGLGPSNEV-UHFFFAOYSA-N 0 0 244.385 2.227 50 0 BEAARN Cc1nc([C@@H]2CCCCCN2C(=O)C2CC2)no1 ZINC000170071722 180041241 /nfs/dbraw/zinc/04/12/41/180041241.db2.gz GDFXPKMTULDBRS-NSHDSACASA-N 0 0 249.314 2.232 50 0 BEAARN CCCc1ncc(C(=O)N2CCCC2)s1 ZINC000089960525 191023364 /nfs/dbraw/zinc/02/33/64/191023364.db2.gz YXBZWQDNIRAMQF-UHFFFAOYSA-N 0 0 224.329 2.332 50 0 BEAARN Cc1ccc(CC[C@H](C)NC(=O)c2ccn[nH]2)o1 ZINC000390834217 350135633 /nfs/dbraw/zinc/13/56/33/350135633.db2.gz UTLZGTHLEUTRSJ-VIFPVBQESA-N 0 0 247.298 2.062 50 0 BEAARN Cc1nc2cc3nc(Cl)[nH]c3cc2[nH]1 ZINC000016249014 180086704 /nfs/dbraw/zinc/08/67/04/180086704.db2.gz HZCHAYOWVGIMNY-UHFFFAOYSA-N 0 0 206.636 2.401 50 0 BEAARN Cc1nc2cnn(-c3ccccc3)c(=O)c2s1 ZINC000000215096 180108895 /nfs/dbraw/zinc/10/88/95/180108895.db2.gz AOVLFVORJPFUFY-UHFFFAOYSA-N 0 0 243.291 2.151 50 0 BEAARN Cc1nc2ccccc2n1[C@@H]1CCC[C@@H]1O ZINC000037489907 180104183 /nfs/dbraw/zinc/10/41/83/180104183.db2.gz BMHILEJFLIAHKZ-OLZOCXBDSA-N 0 0 216.284 2.431 50 0 BEAARN CCCCSC[C@H](O)COC(C)C ZINC000023115047 350174302 /nfs/dbraw/zinc/17/43/02/350174302.db2.gz MZIAMDGKNSDQNX-SNVBAGLBSA-N 0 0 206.351 2.306 50 0 BEAARN Nc1ccc(SCC(=O)C2CC2)s1 ZINC000101195989 191064192 /nfs/dbraw/zinc/06/41/92/191064192.db2.gz UWBMCXTXCDYMJJ-UHFFFAOYSA-N 0 0 213.327 2.402 50 0 BEAARN CC(C)Cc1cc(C(=O)NC(C)(C)C)[nH]n1 ZINC000065415494 187441227 /nfs/dbraw/zinc/44/12/27/187441227.db2.gz FEUJPHBJYAQGJP-UHFFFAOYSA-N 0 0 223.320 2.137 50 0 BEAARN CC(=O)Nc1cc(C)n(Cc2ccccc2)n1 ZINC000064555436 187441351 /nfs/dbraw/zinc/44/13/51/187441351.db2.gz NVLAWHKPDAVCKH-UHFFFAOYSA-N 0 0 229.283 2.198 50 0 BEAARN Cc1nccc(N[C@@H]2CCCCC[C@H]2CO)n1 ZINC000097014139 180203645 /nfs/dbraw/zinc/20/36/45/180203645.db2.gz YOYHOGQSPJEWKD-NWDGAFQWSA-N 0 0 235.331 2.138 50 0 BEAARN Cc1nccc(N[C@H]2CCCCC[C@H]2CO)n1 ZINC000097014140 180206035 /nfs/dbraw/zinc/20/60/35/180206035.db2.gz YOYHOGQSPJEWKD-RYUDHWBXSA-N 0 0 235.331 2.138 50 0 BEAARN Cc1nccc(Nc2ccc3n[nH]cc3c2)n1 ZINC000097009495 180208378 /nfs/dbraw/zinc/20/83/78/180208378.db2.gz RHIVDPISJPTIEP-UHFFFAOYSA-N 0 0 225.255 2.405 50 0 BEAARN Cc1ncccc1OCc1cccc(C(N)=O)c1 ZINC000096501106 180227722 /nfs/dbraw/zinc/22/77/22/180227722.db2.gz GHTLIOUEUYSBSN-UHFFFAOYSA-N 0 0 242.278 2.068 50 0 BEAARN Cc1ccc(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1C ZINC000076022909 362952848 /nfs/dbraw/zinc/95/28/48/362952848.db2.gz XKZQIKIBJLZXBT-CHWSQXEVSA-N 0 0 244.338 2.372 50 0 BEAARN Cc1nnc(CN[C@@H](C)c2cscn2)s1 ZINC000309147694 323319667 /nfs/dbraw/zinc/31/96/67/323319667.db2.gz VQSUUDODGFQXAP-LURJTMIESA-N 0 0 240.357 2.154 50 0 BEAARN Cc1c2cc(-c3cnn(C)c3)ccc2[nH]c1CO ZINC000426503759 191093907 /nfs/dbraw/zinc/09/39/07/191093907.db2.gz YCIGGMYZITYAQO-UHFFFAOYSA-N 0 0 241.294 2.369 50 0 BEAARN Cc1cc(CN(C)C(=O)c2ccc(F)cc2)no1 ZINC000037985408 350295547 /nfs/dbraw/zinc/29/55/47/350295547.db2.gz RUVDLQGKUXNNMZ-UHFFFAOYSA-N 0 0 248.257 2.394 50 0 BEAARN c1nc([C@@H]2CCOC2)cc(N2CCCCCC2)n1 ZINC000426537823 191096468 /nfs/dbraw/zinc/09/64/68/191096468.db2.gz YUFMPHPYQMTULU-GFCCVEGCSA-N 0 0 247.342 2.361 50 0 BEAARN O=C(CCc1cccs1)NCC1CC1 ZINC000040051570 350350444 /nfs/dbraw/zinc/35/04/44/350350444.db2.gz CWODOMNFGVLJDV-UHFFFAOYSA-N 0 0 209.314 2.207 50 0 BEAARN COc1nc(-c2cccc([C@@H](C)OC)c2)nn1C ZINC000426521598 191095663 /nfs/dbraw/zinc/09/56/63/191095663.db2.gz ZABUJENUCDSVDT-SECBINFHSA-N 0 0 247.298 2.198 50 0 BEAARN Cc1ncsc1C(=O)NCCc1ccccc1 ZINC000040529111 180306156 /nfs/dbraw/zinc/30/61/56/180306156.db2.gz UBCZTFJCVBXOJM-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN CCOc1ccc([C@@H]2CCC[NH2+][C@@H]2C(=O)[O-])cc1 ZINC000601013340 350329928 /nfs/dbraw/zinc/32/99/28/350329928.db2.gz FSNJMXFHMYBOKB-STQMWFEESA-N 0 0 249.310 2.006 50 0 BEAARN C[C@@]1(O)c2cccc3cccc(c23)[C@@]1(C)O ZINC000000402252 350332384 /nfs/dbraw/zinc/33/23/84/350332384.db2.gz QSDXRXVHRKLPHO-ZIAGYGMSSA-N 0 0 214.264 2.268 50 0 BEAARN Cc1nn(-c2ccccc2)c(C)c1C=O ZINC000000065247 180328619 /nfs/dbraw/zinc/32/86/19/180328619.db2.gz VOMRTQQGXWPTJK-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1cc(C)cc(COn2ccnc2)c1 ZINC000001406290 350393482 /nfs/dbraw/zinc/39/34/82/350393482.db2.gz XZOKMCRHCVZZRU-UHFFFAOYSA-N 0 0 202.257 2.129 50 0 BEAARN Cc1n[nH]c(C)c1-c1ccc2c(c1)NC(=O)CO2 ZINC000426589737 191100188 /nfs/dbraw/zinc/10/01/88/191100188.db2.gz HMOUZUUTHLQICI-UHFFFAOYSA-N 0 0 243.266 2.024 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)CCc1ccco1 ZINC000045000387 180343185 /nfs/dbraw/zinc/34/31/85/180343185.db2.gz FPXUHFSEBCQAHP-UHFFFAOYSA-N 0 0 247.298 2.201 50 0 BEAARN Cc1nn(C)c(C)c1CNC(=O)C1CCCCC1 ZINC000028305707 180337344 /nfs/dbraw/zinc/33/73/44/180337344.db2.gz XEJORICZFLOJTE-UHFFFAOYSA-N 0 0 249.358 2.233 50 0 BEAARN Cc1nn(C)c2sc3ccccc3c(=O)c12 ZINC000044125207 180365443 /nfs/dbraw/zinc/36/54/43/180365443.db2.gz DLPKEKBAZFADSN-UHFFFAOYSA-N 0 0 230.292 2.457 50 0 BEAARN Cc1nn(C)cc1CN(C)C(=O)c1ccccc1 ZINC000012064991 180371570 /nfs/dbraw/zinc/37/15/70/180371570.db2.gz WAXUJSGKBFNORY-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN C[C@H](CC(=O)N1CCCC1)n1cccc1 ZINC000089894515 362958213 /nfs/dbraw/zinc/95/82/13/362958213.db2.gz YDNPXXPRWRAUSL-LLVKDONJSA-N 0 0 206.289 2.062 50 0 BEAARN O=c1c2ccccc2oc2c1[C@H](O)CCC2 ZINC000034590832 350472012 /nfs/dbraw/zinc/47/20/12/350472012.db2.gz CKGHAHJRPQCUQD-SECBINFHSA-N 0 0 216.236 2.163 50 0 BEAARN Cc1nnc(-c2nc(-c3ccccc3)oc2N)o1 ZINC000035681801 180396308 /nfs/dbraw/zinc/39/63/08/180396308.db2.gz VUVVSBIYNHJYDA-UHFFFAOYSA-N 0 0 242.238 2.282 50 0 BEAARN Cc1nn2c(Cc3ccccc3)nnc2s1 ZINC000000385291 180394894 /nfs/dbraw/zinc/39/48/94/180394894.db2.gz RHNUWUWECMSHJW-UHFFFAOYSA-N 0 0 230.296 2.085 50 0 BEAARN Cc1nn(CCC(C)(C)C)c(C)c1CCO ZINC000187197910 180387511 /nfs/dbraw/zinc/38/75/11/180387511.db2.gz OXMDOVSAWOKUAA-UHFFFAOYSA-N 0 0 224.348 2.471 50 0 BEAARN CC(=O)OC[C@@]12COC[C@@H](C(C)=C[C@H]1C)[C@@H]2C ZINC000000519501 191109138 /nfs/dbraw/zinc/10/91/38/191109138.db2.gz PUIXWPWZUOZSNM-XWUBHJNHSA-N 0 0 238.327 2.414 50 0 biogenic BEAARN CC1(C)C[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000228727916 350556317 /nfs/dbraw/zinc/55/63/17/350556317.db2.gz RNIWLTQLYVCFEA-GFCCVEGCSA-N 0 0 233.311 2.097 50 0 BEAARN CC1N=NC(=S)N1c1ccc(F)cc1F ZINC000006402035 180437747 /nfs/dbraw/zinc/43/77/47/180437747.db2.gz JLYILMGMKXSQNK-UHFFFAOYSA-N 0 0 227.239 2.143 50 0 BEAARN CC(C)(C)OC(=O)N1CCc2cccnc21 ZINC000095495983 187454479 /nfs/dbraw/zinc/45/44/79/187454479.db2.gz WLOMDLSRFNCYNR-UHFFFAOYSA-N 0 0 220.272 2.379 50 0 BEAARN Cc1nnc2ccc(NC[C@@H]3CC=CCC3)nn12 ZINC000068692808 180448659 /nfs/dbraw/zinc/44/86/59/180448659.db2.gz ADYWHHVBNCSJHD-LLVKDONJSA-N 0 0 243.314 2.201 50 0 BEAARN CC(=O)N1C[C@@H](C)O[C@@H](c2ccc(C)cc2)C1 ZINC000041422260 187459008 /nfs/dbraw/zinc/45/90/08/187459008.db2.gz UNSUUAYHBGLISC-BXUZGUMPSA-N 0 0 233.311 2.303 50 0 BEAARN C=CN1C(=O)N(C=C)[C@@](C)(CC(C)C)C1=O ZINC000000393675 191117173 /nfs/dbraw/zinc/11/71/73/191117173.db2.gz FWJWJADYKLHVOE-LBPRGKRZSA-N 0 0 222.288 2.342 50 0 BEAARN Cc1noc(C)c1CNC(=O)Nc1ccncc1 ZINC000095955122 180472147 /nfs/dbraw/zinc/47/21/47/180472147.db2.gz GTJNVHNZGPOQJD-UHFFFAOYSA-N 0 0 246.270 2.008 50 0 BEAARN Cc1noc(NCc2ccccc2F)n1 ZINC000095445185 350659218 /nfs/dbraw/zinc/65/92/18/350659218.db2.gz ZNRHTUPLFWYKFV-UHFFFAOYSA-N 0 0 207.208 2.129 50 0 BEAARN Cc1noc(C)c1[C@H](C)CNc1ncccn1 ZINC000095973079 180479325 /nfs/dbraw/zinc/47/93/25/180479325.db2.gz DGKOHINNKKJFNI-MRVPVSSYSA-N 0 0 232.287 2.297 50 0 BEAARN CC(=O)NC1(C)C2CC3CC(C2)CC1C3 ZINC000000364069 191116959 /nfs/dbraw/zinc/11/69/59/191116959.db2.gz ZDGRLVYZLWMWKL-UHFFFAOYSA-N 0 0 207.317 2.337 50 0 BEAARN Cc1cc(Br)c2c(c1)C(=O)NCC2 ZINC000129798823 187468278 /nfs/dbraw/zinc/46/82/78/187468278.db2.gz KKLXEFWWUHRVSD-UHFFFAOYSA-N 0 0 240.100 2.043 50 0 BEAARN C/C(=C\C(=O)Nc1nccs1)N1CCCC1 ZINC000005287531 191121581 /nfs/dbraw/zinc/12/15/81/191121581.db2.gz JTEXTBSAEVEDFH-CMDGGOBGSA-N 0 0 237.328 2.081 50 0 BEAARN CC(=O)Nc1cccc(-c2nnc(C)o2)c1 ZINC000005756527 191122695 /nfs/dbraw/zinc/12/26/95/191122695.db2.gz UYMVQAUSWGGXMX-UHFFFAOYSA-N 0 0 217.228 2.003 50 0 BEAARN Cc1nscc1C(=O)O[C@H](C)C1CC1 ZINC000095469306 180526402 /nfs/dbraw/zinc/52/64/02/180526402.db2.gz FEYWLNNGIJMJQP-SSDOTTSWSA-N 0 0 211.286 2.407 50 0 BEAARN Cc1oc(-c2ccc(F)cc2)cc1C(N)=O ZINC000255190525 180527227 /nfs/dbraw/zinc/52/72/27/180527227.db2.gz XTXOOGAMTQGMAB-UHFFFAOYSA-N 0 0 219.215 2.493 50 0 BEAARN COc1cccc(NC2=CC(=O)O[C@@H](C)C2)c1 ZINC000001017468 350979992 /nfs/dbraw/zinc/97/99/92/350979992.db2.gz XSNOWPRSDNWWJJ-VIFPVBQESA-N 0 0 233.267 2.326 50 0 BEAARN Cc1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000001018250 350980848 /nfs/dbraw/zinc/98/08/48/350980848.db2.gz UYXOFITURFTYOU-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN CC(C)(C)c1cc(NC(=O)[C@H]2CCCO2)no1 ZINC000001054943 350991167 /nfs/dbraw/zinc/99/11/67/350991167.db2.gz PRNUSDXNXCLDJY-MRVPVSSYSA-N 0 0 238.287 2.090 50 0 BEAARN Cc1ocnc1-c1nc(-c2ccccn2)no1 ZINC000225386368 180544726 /nfs/dbraw/zinc/54/47/26/180544726.db2.gz BTVNOTMFVHTKAN-UHFFFAOYSA-N 0 0 228.211 2.095 50 0 BEAARN CCCC(=O)N1CCC(=O)Nc2ccccc21 ZINC000001065860 351001557 /nfs/dbraw/zinc/00/15/57/351001557.db2.gz QRMLHEQFGXLQGY-UHFFFAOYSA-N 0 0 232.283 2.162 50 0 BEAARN Cc1ccnc(C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000056906745 191132146 /nfs/dbraw/zinc/13/21/46/191132146.db2.gz JRNUBWIKHLDBHK-UHFFFAOYSA-N 0 0 249.220 2.316 50 0 BEAARN CCN(C)C(=O)NC1(C(F)(F)F)CCC1 ZINC000335777539 538100126 /nfs/dbraw/zinc/10/01/26/538100126.db2.gz HMDXFWQDNZOAER-UHFFFAOYSA-N 0 0 224.226 2.133 50 0 BEAARN Clc1ccc(NCc2ccccn2)nn1 ZINC000008703382 180583118 /nfs/dbraw/zinc/58/31/18/180583118.db2.gz XNRLHNFMMGHBAM-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN Clc1ccc(NCc2csnn2)nc1 ZINC000170089712 180583734 /nfs/dbraw/zinc/58/37/34/180583734.db2.gz NHTLOCHHIYZCIC-UHFFFAOYSA-N 0 0 226.692 2.199 50 0 BEAARN CCc1cnc(NC(=O)C(F)(F)F)s1 ZINC000005911969 351307354 /nfs/dbraw/zinc/30/73/54/351307354.db2.gz LVPQMQOCSYEIMH-UHFFFAOYSA-N 0 0 224.207 2.206 50 0 BEAARN C[C@@H](O)c1cn(-c2cc(F)ccc2Cl)nn1 ZINC000231835065 351398448 /nfs/dbraw/zinc/39/84/48/351398448.db2.gz UKKJSYDJLJGETF-ZCFIWIBFSA-N 0 0 241.653 2.113 50 0 BEAARN CC(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053641635 187479684 /nfs/dbraw/zinc/47/96/84/187479684.db2.gz QGNMSFNLHNDRCY-GZMMTYOYSA-N 0 0 207.273 2.381 50 0 BEAARN Clc1cccc2nc(Br)nn21 ZINC000096029253 180593632 /nfs/dbraw/zinc/59/36/32/180593632.db2.gz YPOSNQBWLHQYDA-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN C[NH+](C)[C@](C)(C(=O)[O-])c1cccc(Cl)c1 ZINC000037357926 363042508 /nfs/dbraw/zinc/04/25/08/363042508.db2.gz NIVNKZDEKMEUJP-NSHDSACASA-N 0 0 227.691 2.201 50 0 BEAARN Clc1ncnc2cc(Br)cnc12 ZINC000035270053 180603537 /nfs/dbraw/zinc/60/35/37/180603537.db2.gz POZFSLLRNAMHBC-UHFFFAOYSA-N 0 0 244.479 2.441 50 0 BEAARN CC(C)(C)c1csc(Cn2ncccc2=O)n1 ZINC000195420837 187491400 /nfs/dbraw/zinc/49/14/00/187491400.db2.gz IWBHNYRGLDXHFR-UHFFFAOYSA-N 0 0 249.339 2.046 50 0 BEAARN CC(C)Cc1cccc([C@@H](C)C(N)=O)c1 ZINC000242317072 187504955 /nfs/dbraw/zinc/50/49/55/187504955.db2.gz YXBKCZDRXBCHDL-SNVBAGLBSA-N 0 0 205.301 2.474 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc(OC)nc1 ZINC000012537897 351999835 /nfs/dbraw/zinc/99/98/35/351999835.db2.gz URKZJDXDWQXZPM-MRVPVSSYSA-N 0 0 208.261 2.075 50 0 BEAARN CCc1nc(-c2cccc(OC)c2OC)n(C)n1 ZINC000426726941 191146455 /nfs/dbraw/zinc/14/64/55/191146455.db2.gz UEDBBTCUXZLFSE-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN Cc1[nH]ccc1C(=O)N[C@@H](C)C(C)(F)F ZINC000334686316 352364368 /nfs/dbraw/zinc/36/43/68/352364368.db2.gz QSSDNRCUHKGZTK-ZETCQYMHSA-N 0 0 216.231 2.097 50 0 BEAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C2CC2)c1C ZINC000008729242 187759906 /nfs/dbraw/zinc/75/99/06/187759906.db2.gz YMIMSKLBCCHNBU-QMMMGPOBSA-N 0 0 248.326 2.362 50 0 BEAARN Cc1ccn(CCC(=O)Nc2cccc(F)c2)n1 ZINC000020989423 187762727 /nfs/dbraw/zinc/76/27/27/187762727.db2.gz FBJHVCWFIKBZEB-UHFFFAOYSA-N 0 0 247.273 2.359 50 0 BEAARN CC(C)(O)CCc1ccc(C(=O)N2CCC2)cc1 ZINC000072431863 187789101 /nfs/dbraw/zinc/78/91/01/187789101.db2.gz BNSDXKXXVLFDIQ-UHFFFAOYSA-N 0 0 247.338 2.236 50 0 BEAARN CC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1 ZINC000039291911 187773444 /nfs/dbraw/zinc/77/34/44/187773444.db2.gz OKXUBGULDQECIU-UHFFFAOYSA-N 0 0 207.258 2.184 50 0 BEAARN CC(C)(C)c1ccc2c(c1)C(=O)[C@H](N)CCO2 ZINC000062665232 187785158 /nfs/dbraw/zinc/78/51/58/187785158.db2.gz NJZFHAXOYVNWQJ-LLVKDONJSA-N 0 0 233.311 2.277 50 0 BEAARN CC[C@@H]1CC(=O)NCc2nc3cc(C)ccn3c21 ZINC000065504152 187785564 /nfs/dbraw/zinc/78/55/64/187785564.db2.gz TWJLNPQBXWZKJS-SNVBAGLBSA-N 0 0 243.310 2.156 50 0 BEAARN CC(C)(C)c1ccc(NC=O)cc1NC=O ZINC000096316035 187801427 /nfs/dbraw/zinc/80/14/27/187801427.db2.gz KFDALFXHGVDPGY-UHFFFAOYSA-N 0 0 220.272 2.121 50 0 BEAARN CC(C)(C)OC(=O)/C=C/c1ccccn1 ZINC000085210248 187798059 /nfs/dbraw/zinc/79/80/59/187798059.db2.gz TWSFUBIWTCVJEH-BQYQJAHWSA-N 0 0 205.257 2.437 50 0 BEAARN Cn1cncc1[C@H](O)CCc1ccccc1 ZINC000082238044 180790954 /nfs/dbraw/zinc/79/09/54/180790954.db2.gz VULNFYJJEVKDEJ-CYBMUJFWSA-N 0 0 216.284 2.086 50 0 BEAARN CCn1c(=O)[nH]nc1S[C@@H]1CC[C@H](C)C1 ZINC000334197397 352789250 /nfs/dbraw/zinc/78/92/50/352789250.db2.gz KWIBEJPRGQYRFX-JGVFFNPUSA-N 0 0 227.333 2.284 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000012898134 188105442 /nfs/dbraw/zinc/10/54/42/188105442.db2.gz LVIKHFVSQALAMQ-AWEZNQCLSA-N 0 0 245.322 2.084 50 0 BEAARN COc1ccc(C(=O)c2ccccc2[O-])c([O-])c1 ZINC000000037293 188098398 /nfs/dbraw/zinc/09/83/98/188098398.db2.gz MEZZCSHVIGVWFI-UHFFFAOYSA-N 0 0 244.246 2.337 50 0 world BEAARN CC(=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000000049123 188098870 /nfs/dbraw/zinc/09/88/70/188098870.db2.gz JMRJWEJJUKUBEA-UHFFFAOYSA-N 0 0 211.648 2.258 50 0 in-vitro BEAARN CCOC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000000393680 188099370 /nfs/dbraw/zinc/09/93/70/188099370.db2.gz KOACXUOASKUNMQ-NWDGAFQWSA-N 0 0 204.269 2.428 50 0 BEAARN COc1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000000514350 188099693 /nfs/dbraw/zinc/09/96/93/188099693.db2.gz VZZTXKXIWCJJFR-NSHDSACASA-N 0 0 249.310 2.085 50 0 BEAARN NC(=O)c1ccccc1C(=O)Cc1ccccc1 ZINC000000402363 188099914 /nfs/dbraw/zinc/09/99/14/188099914.db2.gz AGDFGKIEJNPPQU-UHFFFAOYSA-N 0 0 239.274 2.211 50 0 BEAARN CC(=O)CC(C)(C)n1nnc(-c2ccccc2)n1 ZINC000000499869 188099991 /nfs/dbraw/zinc/09/99/91/188099991.db2.gz JAXBUFQOHKEBFN-UHFFFAOYSA-N 0 0 244.298 2.054 50 0 BEAARN COc1cccc(NC(=O)C(F)(F)F)c1 ZINC000003093865 188100769 /nfs/dbraw/zinc/10/07/69/188100769.db2.gz TZCQPHOSHKXEQV-UHFFFAOYSA-N 0 0 219.162 2.196 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCC(=O)C1 ZINC000002511704 188101306 /nfs/dbraw/zinc/10/13/06/188101306.db2.gz VGDCXKATFLOEHF-QMMMGPOBSA-N 0 0 213.277 2.023 50 0 BEAARN CC(C)c1ccc(NC(=O)C(=O)NC2CC2)cc1 ZINC000004269284 188101793 /nfs/dbraw/zinc/10/17/93/188101793.db2.gz XWSWRUMKYBGMOO-UHFFFAOYSA-N 0 0 246.310 2.027 50 0 BEAARN CC(=O)N1C[C@@H](C)C(=S)Nc2ccccc21 ZINC000004127469 188102137 /nfs/dbraw/zinc/10/21/37/188102137.db2.gz SEKLLXUEKZGXLL-MRVPVSSYSA-N 0 0 234.324 2.429 50 0 BEAARN CC(C)N(C(=O)Cn1ccnc1)c1ccccc1 ZINC000004385926 188102169 /nfs/dbraw/zinc/10/21/69/188102169.db2.gz NPGDVONHAYADSL-UHFFFAOYSA-N 0 0 243.310 2.325 50 0 BEAARN S=c1[nH]nc2c(Cl)cc(Cl)cn12 ZINC000006413902 188102703 /nfs/dbraw/zinc/10/27/03/188102703.db2.gz JDSFMQYOLKDWJO-UHFFFAOYSA-N 0 0 220.084 2.325 50 0 BEAARN CC1(C)OC(=O)N2NCc3ccccc3[C@]21C ZINC000006668611 188103051 /nfs/dbraw/zinc/10/30/51/188103051.db2.gz SLMYQNUHXKWASE-ZDUSSCGKSA-N 0 0 232.283 2.151 50 0 BEAARN CC(N)=C1C(=O)C(=O)N(C)[C@@H]1c1ccccc1 ZINC000006024800 188103252 /nfs/dbraw/zinc/10/32/52/188103252.db2.gz LVAOPHKPJUBHPA-LLVKDONJSA-N 0 0 230.267 2.051 50 0 BEAARN CCc1ccc(-c2nnc(N)s2)cc1 ZINC000003716764 363206168 /nfs/dbraw/zinc/20/61/68/363206168.db2.gz RXTFAFIUEXCNFK-UHFFFAOYSA-N 0 0 205.286 2.350 50 0 BEAARN [NH3+]Cc1ccccc1OCC(F)(F)F ZINC000012395438 188104829 /nfs/dbraw/zinc/10/48/29/188104829.db2.gz HLHKSXNSXJYMNI-UHFFFAOYSA-N 0 0 205.179 2.086 50 0 BEAARN Clc1nc(Cl)c2cccnc2n1 ZINC000015443477 188106518 /nfs/dbraw/zinc/10/65/18/188106518.db2.gz QSNSZGYDLUPWSV-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN COc1ccc(CNc2cnn(C)c2)c(OC)c1 ZINC000020350274 188108672 /nfs/dbraw/zinc/10/86/72/188108672.db2.gz QXNOZWLZRIMZJO-UHFFFAOYSA-N 0 0 247.298 2.049 50 0 BEAARN CCCCSc1cc(N)ccc1C(N)=O ZINC000022863132 188109571 /nfs/dbraw/zinc/10/95/71/188109571.db2.gz ZRWKJGNZCZVPKO-UHFFFAOYSA-N 0 0 224.329 2.260 50 0 BEAARN Cc1ccccc1CN(C)C(=O)NC1CC1 ZINC000026518620 188109901 /nfs/dbraw/zinc/10/99/01/188109901.db2.gz AIIJTHZHPSEZBD-UHFFFAOYSA-N 0 0 218.300 2.299 50 0 BEAARN Brc1nc2c(s1)CCC2 ZINC000031772066 188110739 /nfs/dbraw/zinc/11/07/39/188110739.db2.gz DMQBHCRIFUDQMJ-UHFFFAOYSA-N 0 0 204.092 2.394 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000040521063 188118052 /nfs/dbraw/zinc/11/80/52/188118052.db2.gz PLLGXJQJNLAPSY-NEPJUHHUSA-N 0 0 227.348 2.449 50 0 BEAARN Brc1nc2cccnc2s1 ZINC000040448745 188118390 /nfs/dbraw/zinc/11/83/90/188118390.db2.gz VUSLYGKUDDJMMC-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Cc1cc(N)cc(Br)c1O ZINC000040538086 188118557 /nfs/dbraw/zinc/11/85/57/188118557.db2.gz SEIWSPJSJQAVBK-UHFFFAOYSA-N 0 0 202.051 2.045 50 0 BEAARN CCOc1cncc(N(C)CCC(F)(F)F)n1 ZINC000091458704 188145288 /nfs/dbraw/zinc/14/52/88/188145288.db2.gz KLFIMJBBGCFBQU-UHFFFAOYSA-N 0 0 249.236 2.264 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000049122889 188124840 /nfs/dbraw/zinc/12/48/40/188124840.db2.gz UYJAWTNWITUSQU-WPRPVWTQSA-N 0 0 233.315 2.369 50 0 BEAARN C[C@@H](C(=O)N[C@@H]1CC=CCC1)C(F)(F)F ZINC000335868382 133945153 /nfs/dbraw/zinc/94/51/53/133945153.db2.gz LAIBLDWERGDKBW-JGVFFNPUSA-N 0 0 221.222 2.410 50 0 BEAARN CC(=O)Nc1ccc(C(=O)Nc2ccccc2)o1 ZINC000064552751 188128985 /nfs/dbraw/zinc/12/89/85/188128985.db2.gz AMQMTQWTVMAFIU-UHFFFAOYSA-N 0 0 244.250 2.490 50 0 BEAARN CC(C)(C)c1nccn1CCCn1ccnc1 ZINC000067919872 188129368 /nfs/dbraw/zinc/12/93/68/188129368.db2.gz RVJOCDVCDHRPIV-UHFFFAOYSA-N 0 0 232.331 2.467 50 0 BEAARN CC(C)(C)c1nnc(-c2cccnc2)o1 ZINC000064556889 188129479 /nfs/dbraw/zinc/12/94/79/188129479.db2.gz DLHCMICQONALGG-UHFFFAOYSA-N 0 0 203.245 2.429 50 0 BEAARN COc1cc(Br)cn2nccc12 ZINC000066055083 188129933 /nfs/dbraw/zinc/12/99/33/188129933.db2.gz ARTWAYAZELEWIT-UHFFFAOYSA-N 0 0 227.061 2.105 50 0 BEAARN NC(=S)c1ccc(C(N)=S)c2ccccc12 ZINC000072284451 188131967 /nfs/dbraw/zinc/13/19/67/188131967.db2.gz RMVWFHNLLYPEGN-UHFFFAOYSA-N 0 0 246.360 2.108 50 0 BEAARN Cc1cc(N)cc(I)c1 ZINC000075629717 188133218 /nfs/dbraw/zinc/13/32/18/188133218.db2.gz LOUHGQOWBDORSI-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN CCCCCNC(=O)c1ccc2c(c1)OCO2 ZINC000005463969 168713402 /nfs/dbraw/zinc/71/34/02/168713402.db2.gz IRCFPXYIPLLUKY-UHFFFAOYSA-N 0 0 235.283 2.335 50 0 BEAARN CC(C)c1ccccc1NC(=O)N(C)CCO ZINC000078800588 188136531 /nfs/dbraw/zinc/13/65/31/188136531.db2.gz ANGGOQBFRPUWIA-UHFFFAOYSA-N 0 0 236.315 2.266 50 0 BEAARN Cc1coc2c(c1=O)C(=O)CC(C)(C)C2 ZINC000004039187 188156846 /nfs/dbraw/zinc/15/68/46/188156846.db2.gz WKZUCWKHKJHMGO-UHFFFAOYSA-N 0 0 206.241 2.103 50 0 biogenic BEAARN CN(C)c1cccc(C(=O)NC(C)(C)C)c1 ZINC000005260891 188157741 /nfs/dbraw/zinc/15/77/41/188157741.db2.gz MVZGOYNIRNNJHD-UHFFFAOYSA-N 0 0 220.316 2.281 50 0 BEAARN O=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@H]3[C@H]12 ZINC000103108393 188159763 /nfs/dbraw/zinc/15/97/63/188159763.db2.gz RQWNVDAJWFMNDY-HMYIPDOQSA-N 0 0 244.290 2.229 50 0 BEAARN Brc1ncccc1N1CCSC1 ZINC000169725561 188161225 /nfs/dbraw/zinc/16/12/25/188161225.db2.gz ORLROPKCDRBYLK-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN C1=CC[C@@H](c2nc([C@H]3CCOC3)no2)CC1 ZINC000098019212 188149131 /nfs/dbraw/zinc/14/91/31/188149131.db2.gz MZFGEGLAEUDSDJ-ZJUUUORDSA-N 0 0 220.272 2.397 50 0 BEAARN CC(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000021203095 188178788 /nfs/dbraw/zinc/17/87/88/188178788.db2.gz DBKSSMHSJOZPGI-UHFFFAOYSA-N 0 0 248.326 2.307 50 0 BEAARN C/C=C\C(=O)O[C@H](C)COCCCC ZINC000025624565 188180150 /nfs/dbraw/zinc/18/01/50/188180150.db2.gz NTFWVBVBSKLUNH-ONRRBMGISA-N 0 0 200.278 2.311 50 0 BEAARN CC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000025491120 188180599 /nfs/dbraw/zinc/18/05/99/188180599.db2.gz MRRAGEYMHZNMGN-UHFFFAOYSA-N 0 0 213.240 2.102 50 0 BEAARN CSc1nccn1CCOC(C)(C)C ZINC000096501497 188188823 /nfs/dbraw/zinc/18/88/23/188188823.db2.gz UMARUUQQFKRTIZ-UHFFFAOYSA-N 0 0 214.334 2.420 50 0 BEAARN CC(C)n1ccc(C(=O)NC2(C(C)C)CC2)n1 ZINC000294008035 188212700 /nfs/dbraw/zinc/21/27/00/188212700.db2.gz URJVUEZFQJVMAO-UHFFFAOYSA-N 0 0 235.331 2.382 50 0 BEAARN CC(C)[N@@H+](CC(N)=O)CC1CC(F)(F)C1 ZINC000328597656 188225006 /nfs/dbraw/zinc/22/50/06/188225006.db2.gz INNUTELHCHQUGH-UHFFFAOYSA-N 0 0 220.263 2.277 50 0 BEAARN Fc1c2c(ccc1Br)OCO2 ZINC000065336861 180945630 /nfs/dbraw/zinc/94/56/30/180945630.db2.gz FMEWVPPYMHXEGT-UHFFFAOYSA-N 0 0 219.009 2.317 50 0 BEAARN Cc1ccc(S(=O)(=O)C2(C)CC2)cc1 ZINC000000399781 133961966 /nfs/dbraw/zinc/96/19/66/133961966.db2.gz IRYXVRMFKJWEOE-UHFFFAOYSA-N 0 0 210.298 2.321 50 0 BEAARN CC(C)C(=O)Nc1ccnc(-c2cccnc2)n1 ZINC000001403185 353388226 /nfs/dbraw/zinc/38/82/26/353388226.db2.gz STCKPKFVPSGDJE-UHFFFAOYSA-N 0 0 242.282 2.133 50 0 BEAARN Fc1cc2c(c(-c3cnco3)c1)OCOC2 ZINC000097463381 180956540 /nfs/dbraw/zinc/95/65/40/180956540.db2.gz SOWHLCPBYTZKTM-UHFFFAOYSA-N 0 0 221.187 2.347 50 0 BEAARN Fc1ccc(Cl)c(Cn2ccnn2)c1 ZINC000225477183 180973041 /nfs/dbraw/zinc/97/30/41/180973041.db2.gz RHEAWMCCJYZWRF-UHFFFAOYSA-N 0 0 211.627 2.119 50 0 BEAARN CCOc1ccc2nc(C)cc(NN)c2c1 ZINC000005845454 353561771 /nfs/dbraw/zinc/56/17/71/353561771.db2.gz IAHYHTQMLUFSMP-UHFFFAOYSA-N 0 0 217.272 2.228 50 0 BEAARN Fc1ccc([C@H]2CN(CC(F)F)CCO2)cc1 ZINC000170622111 180983751 /nfs/dbraw/zinc/98/37/51/180983751.db2.gz NCZWNLSPVJBNHF-LLVKDONJSA-N 0 0 245.244 2.464 50 0 BEAARN CC(=O)CC(=O)O[C@@H](C)c1ccccc1 ZINC000002007127 188455376 /nfs/dbraw/zinc/45/53/76/188455376.db2.gz GSBJXOIVIOYPOW-JTQLQIEISA-N 0 0 206.241 2.270 50 0 BEAARN CCc1ccc(NC(=O)C(=O)N(CC)CC)cc1 ZINC000002838021 188456129 /nfs/dbraw/zinc/45/61/29/188456129.db2.gz WMGUUPACHKBLFJ-UHFFFAOYSA-N 0 0 248.326 2.056 50 0 BEAARN COC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000002534328 188456312 /nfs/dbraw/zinc/45/63/12/188456312.db2.gz GOMIGXNHHDATLU-UHFFFAOYSA-N 0 0 232.182 2.083 50 0 BEAARN O=C1C2=C(CCCC2)[C@@H](O)N1Cc1cccs1 ZINC000009095210 188459267 /nfs/dbraw/zinc/45/92/67/188459267.db2.gz XEDOVJBPGBJLOL-GFCCVEGCSA-N 0 0 249.335 2.279 50 0 BEAARN CC(=O)Nc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000036682026 188459754 /nfs/dbraw/zinc/45/97/54/188459754.db2.gz KRGQHKTXSWYBFD-UHFFFAOYSA-N 0 0 231.255 2.312 50 0 BEAARN CC(=O)N[C@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000012847182 188459904 /nfs/dbraw/zinc/45/99/04/188459904.db2.gz RFNVIMCTUQSGCO-SNVBAGLBSA-N 0 0 248.326 2.273 50 0 BEAARN O=C(NC(C1CC1)C1CC1)c1cc(C2CC2)on1 ZINC000027095473 188464247 /nfs/dbraw/zinc/46/42/47/188464247.db2.gz VCONKGHNERWLNZ-UHFFFAOYSA-N 0 0 246.310 2.470 50 0 BEAARN CC(=O)Nc1cc(NC(C)=O)c(C)cc1C ZINC000000185516 188453401 /nfs/dbraw/zinc/45/34/01/188453401.db2.gz PSABMAFGBMDYHK-UHFFFAOYSA-N 0 0 220.272 2.220 50 0 BEAARN CNc1cc(Br)ccc1N ZINC000038886077 188473862 /nfs/dbraw/zinc/47/38/62/188473862.db2.gz WQNHSCZQLLEPOM-UHFFFAOYSA-N 0 0 201.067 2.073 50 0 BEAARN CC(C)CSCCn1cc(F)ccc1=O ZINC000190733587 353679055 /nfs/dbraw/zinc/67/90/55/353679055.db2.gz SGVNRDGSEHRGNV-UHFFFAOYSA-N 0 0 229.320 2.377 50 0 BEAARN C=C(c1ccccc1)S(=O)(=O)NC(C)(C)C ZINC000071780485 188469788 /nfs/dbraw/zinc/46/97/88/188469788.db2.gz NSSOPQIXGLLATQ-UHFFFAOYSA-N 0 0 239.340 2.375 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC[C@H]1C(N)=S ZINC000070649948 188488395 /nfs/dbraw/zinc/48/83/95/188488395.db2.gz OLZRMIGDZLTJLM-QMMMGPOBSA-N 0 0 244.360 2.062 50 0 BEAARN CC(=O)Nc1cnc(Br)c(C)c1 ZINC000074937899 188490612 /nfs/dbraw/zinc/49/06/12/188490612.db2.gz SJELRIJOZZSNHS-UHFFFAOYSA-N 0 0 229.077 2.111 50 0 BEAARN Fc1cccc(NCc2cccnc2)n1 ZINC000040711972 181001757 /nfs/dbraw/zinc/00/17/57/181001757.db2.gz YOSDAUGVAKEANZ-UHFFFAOYSA-N 0 0 203.220 2.228 50 0 BEAARN Fc1ccccc1NC(=S)Nc1cnccn1 ZINC000013784771 181014647 /nfs/dbraw/zinc/01/46/47/181014647.db2.gz RQCUFSNFNMSMDE-UHFFFAOYSA-N 0 0 248.286 2.425 50 0 BEAARN C/C=C\COC(=O)c1ccc(OC)c(OC)c1 ZINC000098054153 188502603 /nfs/dbraw/zinc/50/26/03/188502603.db2.gz IPWZFVKSMKLVFD-PLNGDYQASA-N 0 0 236.267 2.437 50 0 BEAARN COCCCC(=N)NC(=O)c1ccc(C)s1 ZINC000095397112 188499640 /nfs/dbraw/zinc/49/96/40/188499640.db2.gz YKAXAQGYQGCSGW-UHFFFAOYSA-N 0 0 240.328 2.190 50 0 BEAARN Fc1cccnc1N[C@@H]1CCCOCC1 ZINC000271888338 181016063 /nfs/dbraw/zinc/01/60/63/181016063.db2.gz NXRZJDZFJRRYPW-SECBINFHSA-N 0 0 210.252 2.202 50 0 BEAARN Fc1cnc(NC[C@@H]2CCCSC2)nc1 ZINC000288489189 181018129 /nfs/dbraw/zinc/01/81/29/181018129.db2.gz LRZNVTUMQBJSMS-QMMMGPOBSA-N 0 0 227.308 2.171 50 0 BEAARN Fc1cnc(NC[C@H]2CCCSC2)nc1 ZINC000288489188 181018752 /nfs/dbraw/zinc/01/87/52/181018752.db2.gz LRZNVTUMQBJSMS-MRVPVSSYSA-N 0 0 227.308 2.171 50 0 BEAARN Fc1cnccc1CN1CCCSCC1 ZINC000336222341 181020477 /nfs/dbraw/zinc/02/04/77/181020477.db2.gz XJRPBBAKISPZLU-UHFFFAOYSA-N 0 0 226.320 2.160 50 0 BEAARN Fc1cnccc1-c1nccnc1N1CCCC1 ZINC000216457609 181020532 /nfs/dbraw/zinc/02/05/32/181020532.db2.gz OYIIDGQECRCUHL-UHFFFAOYSA-N 0 0 244.273 2.278 50 0 BEAARN C[C@H](NC(=O)C1CCCC1)c1ccccn1 ZINC000015512741 353887014 /nfs/dbraw/zinc/88/70/14/353887014.db2.gz OKXFONYBTYCVKO-JTQLQIEISA-N 0 0 218.300 2.449 50 0 BEAARN O=C(NC(C1CC1)C1CC1)c1ccco1 ZINC000012977294 188523239 /nfs/dbraw/zinc/52/32/39/188523239.db2.gz LPMXAHKIWMQVGV-UHFFFAOYSA-N 0 0 205.257 2.198 50 0 BEAARN O=C(Nc1nc(C2CC2)no1)[C@@H]1CC=CCC1 ZINC000096407932 188544199 /nfs/dbraw/zinc/54/41/99/188544199.db2.gz WFVIQRNNAUKCDI-SECBINFHSA-N 0 0 233.271 2.242 50 0 BEAARN Nc1nccc2occ(Br)c21 ZINC000038540280 358485107 /nfs/dbraw/zinc/48/51/07/358485107.db2.gz OAWQPZKVGXRJSX-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN Cc1ncc(NC(=O)NC(C)(C)C2CCC2)cn1 ZINC000334676354 354419680 /nfs/dbraw/zinc/41/96/80/354419680.db2.gz PUCBCPUSFAIFTL-UHFFFAOYSA-N 0 0 248.330 2.485 50 0 BEAARN Cc1ncc(NC(=O)[C@@H]2CC2(F)F)s1 ZINC000334657623 354452840 /nfs/dbraw/zinc/45/28/40/354452840.db2.gz VPWNSKKBRCYEQT-YFKPBYRVSA-N 0 0 218.228 2.045 50 0 BEAARN Cc1ccoc1C(=O)Nc1cccnc1 ZINC000032873687 354555467 /nfs/dbraw/zinc/55/54/67/354555467.db2.gz AOGLTGFTIMRCNZ-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN CNC(=O)c1cc2ccc(F)cc2nc1C ZINC000032857487 354555633 /nfs/dbraw/zinc/55/56/33/354555633.db2.gz XTBYDIXZNAOPDG-UHFFFAOYSA-N 0 0 218.231 2.042 50 0 BEAARN CSCC(=O)NC1CCC(C)CC1 ZINC000033029083 354595226 /nfs/dbraw/zinc/59/52/26/354595226.db2.gz FTMHIUPZPPPWJH-UHFFFAOYSA-N 0 0 201.335 2.044 50 0 BEAARN Nc1c(Cl)ncnc1NC1CCCCC1 ZINC000004243243 354809011 /nfs/dbraw/zinc/80/90/11/354809011.db2.gz AUOMJRAPTGJJQB-UHFFFAOYSA-N 0 0 226.711 2.457 50 0 BEAARN CC(C)c1noc([C@@H](C)N2CCCC2)n1 ZINC000040496415 358492221 /nfs/dbraw/zinc/49/22/21/358492221.db2.gz LSTVVOOFBYCQMO-SECBINFHSA-N 0 0 209.293 2.350 50 0 BEAARN CCOC[C@@H]1CCCCN1c1nc(C)ns1 ZINC000413414856 191381011 /nfs/dbraw/zinc/38/10/11/191381011.db2.gz AKXSIJNMDXVQNF-JTQLQIEISA-N 0 0 241.360 2.242 50 0 BEAARN COC(=O)c1ccc(NC(=O)OC(C)(C)C)o1 ZINC000211750688 355341326 /nfs/dbraw/zinc/34/13/26/355341326.db2.gz RKUXGWJGSQLVGR-UHFFFAOYSA-N 0 0 241.243 2.413 50 0 BEAARN CCCCC[C@H](C)NC(=O)[C@@H]1CCCO1 ZINC000006042510 355529825 /nfs/dbraw/zinc/52/98/25/355529825.db2.gz HUOJFXFCPQZHQO-QWRGUYRKSA-N 0 0 213.321 2.250 50 0 BEAARN CC(C)NC(=O)NC1CC(C(F)(F)F)C1 ZINC000335830554 355557146 /nfs/dbraw/zinc/55/71/46/355557146.db2.gz DSRHMCVQDKFCCD-UHFFFAOYSA-N 0 0 224.226 2.035 50 0 BEAARN N=C(NC(=O)/C=C\c1ccco1)c1ccccc1 ZINC000221750196 181197784 /nfs/dbraw/zinc/19/77/84/181197784.db2.gz FUFQYUHSICZCCW-HJWRWDBZSA-N 0 0 240.262 2.435 50 0 BEAARN N=C1NC(=O)/C(=C\c2ccccc2Cl)S1 ZINC000002458520 181206909 /nfs/dbraw/zinc/20/69/09/181206909.db2.gz GBKGAXSWSBSXCF-VMPITWQZSA-N 0 0 238.699 2.479 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CCCO2)cc1C ZINC000001466457 355805257 /nfs/dbraw/zinc/80/52/57/355805257.db2.gz JDYUWJKBFSHZSD-GFCCVEGCSA-N 0 0 219.284 2.421 50 0 BEAARN Cn1ccnc1S[C@@H]1CCCCC1=O ZINC000035182517 355874871 /nfs/dbraw/zinc/87/48/71/355874871.db2.gz YMXPXLBABUWMLL-SECBINFHSA-N 0 0 210.302 2.024 50 0 BEAARN C=CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000035180707 355874970 /nfs/dbraw/zinc/87/49/70/355874970.db2.gz SYTWQUHOEMWOBV-GFCCVEGCSA-N 0 0 201.269 2.366 50 0 BEAARN CCCCN(C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000015786088 355915642 /nfs/dbraw/zinc/91/56/42/355915642.db2.gz SQDQANZGIPPDMO-ZDUSSCGKSA-N 0 0 247.338 2.496 50 0 BEAARN CCN1c2ccccc2/C(=C2\CCCN2)C1=O ZINC000100743217 355944516 /nfs/dbraw/zinc/94/45/16/355944516.db2.gz NMQLDTGDKKBXFA-QBFSEMIESA-N 0 0 228.295 2.148 50 0 biogenic BEAARN NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000002046298 181246129 /nfs/dbraw/zinc/24/61/29/181246129.db2.gz ZZEVQJYIDJSWPF-UHFFFAOYSA-N 0 0 204.056 2.021 50 0 BEAARN O=C1CCC(c2ccc3c(c2)CCCC3)=NN1 ZINC000041125632 356176234 /nfs/dbraw/zinc/17/62/34/356176234.db2.gz ZQEMZWKCFCVNCD-UHFFFAOYSA-N 0 0 228.295 2.180 50 0 BEAARN NC(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000001415022 181259384 /nfs/dbraw/zinc/25/93/84/181259384.db2.gz MWZKCRVFBBMNCJ-UHFFFAOYSA-N 0 0 247.323 2.021 50 0 BEAARN NC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000336610102 181260191 /nfs/dbraw/zinc/26/01/91/181260191.db2.gz ZFSPBBFFEMXAGV-MWLCHTKSSA-N 0 0 222.263 2.130 50 0 BEAARN NC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000076082165 181263212 /nfs/dbraw/zinc/26/32/12/181263212.db2.gz GDDNIUVHDHSIKF-UHFFFAOYSA-N 0 0 229.239 2.365 50 0 BEAARN NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000040713051 181263039 /nfs/dbraw/zinc/26/30/39/181263039.db2.gz QLDISJBNQHJOHZ-UHFFFAOYSA-N 0 0 222.141 2.335 50 0 BEAARN NC(=O)Nc1ccc(Cl)cc1Cl ZINC000000399092 181262977 /nfs/dbraw/zinc/26/29/77/181262977.db2.gz YEEUHNXDHIYZOE-UHFFFAOYSA-N 0 0 205.044 2.484 50 0 BEAARN Cc1nc(CNC(=O)c2cccs2)cs1 ZINC000015832180 356367110 /nfs/dbraw/zinc/36/71/10/356367110.db2.gz JCCZJJQKGRFPHF-UHFFFAOYSA-N 0 0 238.337 2.443 50 0 BEAARN COC(COc1ccc(C)cc1C)OC ZINC000000402311 356358988 /nfs/dbraw/zinc/35/89/88/356358988.db2.gz RSUOSQWFPFVDJQ-UHFFFAOYSA-N 0 0 210.273 2.301 50 0 BEAARN O=C1CC(=O)[C@H]2c3ccccc3CC[C@H]2C1 ZINC000045027559 356371990 /nfs/dbraw/zinc/37/19/90/356371990.db2.gz WULHCTYABJYDEK-IINYFYTJSA-N 0 0 214.264 2.265 50 0 BEAARN COC(=O)NC12CC[C@H]3CC[C@H](CC1)C32 ZINC000045069743 356372530 /nfs/dbraw/zinc/37/25/30/356372530.db2.gz XRKQDMZKLRBVKI-XTQFYOIMSA-N 0 0 209.289 2.311 50 0 BEAARN NC(=O)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000000519612 181270978 /nfs/dbraw/zinc/27/09/78/181270978.db2.gz YMLOFDJHJSQCSN-SNVBAGLBSA-N 0 0 214.268 2.073 50 0 biogenic,in-vivo BEAARN NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076939798 181274832 /nfs/dbraw/zinc/27/48/32/181274832.db2.gz MBNFAZWNZIQYFM-PHDIDXHHSA-N 0 0 213.639 2.068 50 0 BEAARN CCCCCCSc1nc(O)cc(=O)[nH]1 ZINC000005080469 356471391 /nfs/dbraw/zinc/47/13/91/356471391.db2.gz UYXOAKRMLQKLQX-UHFFFAOYSA-N 0 0 228.317 2.148 50 0 BEAARN NC(=O)c1c(N)scc1-c1ccc(F)cc1 ZINC000012398444 181286268 /nfs/dbraw/zinc/28/62/68/181286268.db2.gz HXJDMDDYIUDQML-UHFFFAOYSA-N 0 0 236.271 2.235 50 0 BEAARN CC(C)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000012905597 356567921 /nfs/dbraw/zinc/56/79/21/356567921.db2.gz FKAQKUIQAAWDFE-UHFFFAOYSA-N 0 0 243.310 2.145 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000012906103 356569844 /nfs/dbraw/zinc/56/98/44/356569844.db2.gz LVMKFVMSABFWRQ-MRVPVSSYSA-N 0 0 248.282 2.002 50 0 BEAARN C[C@]1(F)CCCN(Cc2cncs2)C1 ZINC000336215583 134136597 /nfs/dbraw/zinc/13/65/97/134136597.db2.gz ZINLBMKCMKDPRH-JTQLQIEISA-N 0 0 214.309 2.467 50 0 BEAARN NC(=O)c1cc(-c2ccccc2)sc1N ZINC000000087504 181287612 /nfs/dbraw/zinc/28/76/12/181287612.db2.gz UHEGYTDIDBFUJD-UHFFFAOYSA-N 0 0 218.281 2.096 50 0 in-vivo BEAARN CON(C)C(=O)/C=C/c1nc2ccccc2s1 ZINC000012931655 356651179 /nfs/dbraw/zinc/65/11/79/356651179.db2.gz ACVWSSPXIHBUHH-BQYQJAHWSA-N 0 0 248.307 2.329 50 0 BEAARN Cc1cnc(C(=O)NCCC2=CCCCC2)cn1 ZINC000012936000 356681607 /nfs/dbraw/zinc/68/16/07/356681607.db2.gz DCUCSAMSNSBTQQ-UHFFFAOYSA-N 0 0 245.326 2.405 50 0 BEAARN O=C(CCC1CCCCC1)N1CCC(O)CC1 ZINC000032732168 356698665 /nfs/dbraw/zinc/69/86/65/356698665.db2.gz QLTDZGFWDANSPB-UHFFFAOYSA-N 0 0 239.359 2.330 50 0 BEAARN COC(=O)[C@@H]1O[C@@]1(C)c1cccc(Cl)c1 ZINC000085657577 538544465 /nfs/dbraw/zinc/54/44/65/538544465.db2.gz DRJTWSSWHQHRLH-ONGXEEELSA-N 0 0 226.659 2.127 50 0 BEAARN CN(C)C(=O)c1cnn(C2CCCCC2)c1 ZINC000089312155 538577076 /nfs/dbraw/zinc/57/70/76/538577076.db2.gz XFQYCTOVKRUDMW-UHFFFAOYSA-N 0 0 221.304 2.090 50 0 BEAARN Cc1ncsc1C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000089565378 538581922 /nfs/dbraw/zinc/58/19/22/538581922.db2.gz HBCWDHGFWLMXHF-PHIMTYICSA-N 0 0 248.351 2.490 50 0 BEAARN CC(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000095394495 538607561 /nfs/dbraw/zinc/60/75/61/538607561.db2.gz JRMMYGIGOBOJED-AWEZNQCLSA-N 0 0 229.279 2.009 50 0 BEAARN O=C(N1CC[C@H]1c1ccccc1)n1ccnc1 ZINC000089828103 538584353 /nfs/dbraw/zinc/58/43/53/538584353.db2.gz SCZDCRRUVJDTNI-LBPRGKRZSA-N 0 0 227.267 2.298 50 0 BEAARN O=C([C@@H]1CCCOC1)N1CC[C@H]2CCCC[C@H]21 ZINC000089818692 538584682 /nfs/dbraw/zinc/58/46/82/538584682.db2.gz VXMDLWLMHWTWQH-JHJVBQTASA-N 0 0 237.343 2.204 50 0 BEAARN O=C(C1=CCCCO1)N1CC[C@H]2CCCC[C@H]21 ZINC000089818645 538584884 /nfs/dbraw/zinc/58/48/84/538584884.db2.gz GANXLICJLUNNQW-VXGBXAGGSA-N 0 0 235.327 2.472 50 0 BEAARN O=C([C@@H]1CCCOC1)N1CC[C@@H]2CCCC[C@H]21 ZINC000089818690 538585080 /nfs/dbraw/zinc/58/50/80/538585080.db2.gz VXMDLWLMHWTWQH-YNEHKIRRSA-N 0 0 237.343 2.204 50 0 BEAARN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC1 ZINC000089941519 538587719 /nfs/dbraw/zinc/58/77/19/538587719.db2.gz WHHKWFFIYJKQHX-MFKMUULPSA-N 0 0 231.295 2.174 50 0 BEAARN CNC(=O)c1ccc(-n2cccc2)cc1C ZINC000095350935 538602976 /nfs/dbraw/zinc/60/29/76/538602976.db2.gz VEIARRZVGSSBSF-UHFFFAOYSA-N 0 0 214.268 2.145 50 0 BEAARN CCSc1cncc(N2CCCC2)n1 ZINC000095957175 538608399 /nfs/dbraw/zinc/60/83/99/538608399.db2.gz DWEWELQAYAIJEL-UHFFFAOYSA-N 0 0 209.318 2.189 50 0 BEAARN CCC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000096002813 538612826 /nfs/dbraw/zinc/61/28/26/538612826.db2.gz HNPDGIIQOUCYDK-NSHDSACASA-N 0 0 235.331 2.368 50 0 BEAARN COc1ccc(COC(=O)c2ccoc2C)cn1 ZINC000078949363 356809726 /nfs/dbraw/zinc/80/97/26/356809726.db2.gz HYKXGQDOBSXIKV-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN CCCCNC(=O)NCCNc1ccccc1 ZINC000075093316 356820071 /nfs/dbraw/zinc/82/00/71/356820071.db2.gz FGNPFCVSMJHWDL-UHFFFAOYSA-N 0 0 235.331 2.198 50 0 BEAARN CONC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000075145511 356879375 /nfs/dbraw/zinc/87/93/75/356879375.db2.gz JXGWIUBHSFLJMT-ZJUUUORDSA-N 0 0 240.690 2.057 50 0 BEAARN O=C(C1=CCCCO1)N1CCc2sccc2C1 ZINC000098013591 538714621 /nfs/dbraw/zinc/71/46/21/538714621.db2.gz BFOANXPZLKRPBP-UHFFFAOYSA-N 0 0 249.335 2.327 50 0 BEAARN C[C@@H]1CCc2c(=O)c3ccccc3n(C)c2O1 ZINC000075253918 356915815 /nfs/dbraw/zinc/91/58/15/356915815.db2.gz DFHFTHHJFWKLBP-SECBINFHSA-N 0 0 229.279 2.252 50 0 BEAARN CCCC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000001504858 356953295 /nfs/dbraw/zinc/95/32/95/356953295.db2.gz KTWVHOBNUWGURN-UHFFFAOYSA-N 0 0 246.310 2.334 50 0 BEAARN CC[C@@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000028509949 357041040 /nfs/dbraw/zinc/04/10/40/357041040.db2.gz YMPSVVYMUYXEOH-SNVBAGLBSA-N 0 0 248.326 2.373 50 0 BEAARN CN(C)C(=O)OCCSC1CCCC1 ZINC000129919293 357042982 /nfs/dbraw/zinc/04/29/82/357042982.db2.gz UKAYXPIANCQUEQ-UHFFFAOYSA-N 0 0 217.334 2.360 50 0 BEAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)C ZINC000021768414 357050385 /nfs/dbraw/zinc/05/03/85/357050385.db2.gz REBWPJBTNMHZJC-UHFFFAOYSA-N 0 0 230.267 2.352 50 0 BEAARN CCc1ccc2c(CC(=O)NC)coc2c1 ZINC000012601372 538768748 /nfs/dbraw/zinc/76/87/48/538768748.db2.gz JHACORHSWWZXSX-UHFFFAOYSA-N 0 0 217.268 2.284 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)ns1 ZINC000585082250 538793146 /nfs/dbraw/zinc/79/31/46/538793146.db2.gz PVYWLNSZLILQDZ-SCZZXKLOSA-N 0 0 222.313 2.076 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)cc1F ZINC000012916145 538778605 /nfs/dbraw/zinc/77/86/05/538778605.db2.gz RQAABULGQRVVDE-MWLCHTKSSA-N 0 0 221.275 2.406 50 0 BEAARN COc1cc(SC)ccc1C(=O)N1CCC1 ZINC000012926099 538778655 /nfs/dbraw/zinc/77/86/55/538778655.db2.gz RFZJJIJPGKAKOF-UHFFFAOYSA-N 0 0 237.324 2.263 50 0 BEAARN CN(Cc1cnn(C)c1)C(=O)Nc1ccccc1 ZINC000024463888 357169891 /nfs/dbraw/zinc/16/98/91/357169891.db2.gz LNBZYQCRQXYRLQ-UHFFFAOYSA-N 0 0 244.298 2.084 50 0 BEAARN CCOc1cc(C(=O)OC)ccc1-c1cn[nH]c1 ZINC000223848274 357118232 /nfs/dbraw/zinc/11/82/32/357118232.db2.gz SQNVGPCYSGYOIO-UHFFFAOYSA-N 0 0 246.266 2.262 50 0 BEAARN COc1ccc(C(=O)N2CC(C(F)F)C2)cc1 ZINC000585390860 538798688 /nfs/dbraw/zinc/79/86/88/538798688.db2.gz CXUSWNZKLNXVGK-UHFFFAOYSA-N 0 0 241.237 2.032 50 0 BEAARN CC(C)c1nn2c(nnc2C(F)(F)F)s1 ZINC000006263345 357231794 /nfs/dbraw/zinc/23/17/94/357231794.db2.gz KXDQXQKDFJJMLC-UHFFFAOYSA-N 0 0 236.222 2.328 50 0 BEAARN Cn1c2ccc(NC(=O)C(C)(C)C)cc2oc1=O ZINC000035506285 357597357 /nfs/dbraw/zinc/59/73/57/357597357.db2.gz MMMOOAVTNPRNDS-UHFFFAOYSA-N 0 0 248.282 2.116 50 0 BEAARN O=C(c1cnccn1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000040473449 358004685 /nfs/dbraw/zinc/00/46/85/358004685.db2.gz IDIZFMNUEFVPKB-WCQYABFASA-N 0 0 245.326 2.271 50 0 BEAARN Cc1ccc(Nc2cc(C)nc3ncnn32)cc1 ZINC000017966866 358017489 /nfs/dbraw/zinc/01/74/89/358017489.db2.gz DSIFRBWQRQZHCP-UHFFFAOYSA-N 0 0 239.282 2.485 50 0 BEAARN Cc1cc(OCC(=O)Nc2ccc(C)cc2)no1 ZINC000013018811 358194600 /nfs/dbraw/zinc/19/46/00/358194600.db2.gz YOGFXWSTTMVZHQ-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN Cc1ccoc1C(=O)N1CCC=C(F)C1 ZINC000334228389 358222734 /nfs/dbraw/zinc/22/27/34/358222734.db2.gz GTMYIDXQULYADW-UHFFFAOYSA-N 0 0 209.220 2.287 50 0 BEAARN NC(=O)c1ccc(CSc2ccccn2)cc1 ZINC000011334873 181296340 /nfs/dbraw/zinc/29/63/40/181296340.db2.gz DLHSYSFDDSRGTD-UHFFFAOYSA-N 0 0 244.319 2.473 50 0 BEAARN COc1cc(-c2cc(Cl)ccc2N)ncn1 ZINC000584641199 358327321 /nfs/dbraw/zinc/32/73/21/358327321.db2.gz VKXVKNHSGWPGPA-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN CCN1CCN(C(=O)CC2CCCCC2)CC1 ZINC000028896096 358445252 /nfs/dbraw/zinc/44/52/52/358445252.db2.gz ZXOWCFUEOANBIY-UHFFFAOYSA-N 0 0 238.375 2.121 50 0 BEAARN NC(=O)c1ccc(Cl)cc1OC(F)(F)F ZINC000091252289 181297654 /nfs/dbraw/zinc/29/76/54/181297654.db2.gz MTYIZCXOBKSDPF-UHFFFAOYSA-N 0 0 239.580 2.338 50 0 BEAARN NC(=O)c1ccc(Cl)cc1Br ZINC000034469303 181297662 /nfs/dbraw/zinc/29/76/62/181297662.db2.gz HAVNOBBLFYXBDL-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN COc1ncc(C(C)=O)cc1Br ZINC000213836790 358741798 /nfs/dbraw/zinc/74/17/98/358741798.db2.gz VLISWKQLMDKXCJ-UHFFFAOYSA-N 0 0 230.061 2.055 50 0 BEAARN c1csc(CN2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000134997440 358814486 /nfs/dbraw/zinc/81/44/86/358814486.db2.gz YOUKRYQBNTYLQH-SNVBAGLBSA-N 0 0 248.355 2.246 50 0 BEAARN Cc1nc(OC(C)C)ncc1Br ZINC000259017788 359344210 /nfs/dbraw/zinc/34/42/10/359344210.db2.gz VAWAMISTAORKHR-UHFFFAOYSA-N 0 0 231.093 2.335 50 0 BEAARN CSc1ncc2c(n1)CC(C)(C)CC2=O ZINC000212928426 359670804 /nfs/dbraw/zinc/67/08/04/359670804.db2.gz CBGMHEDJRILEKY-UHFFFAOYSA-N 0 0 222.313 2.354 50 0 BEAARN CCCN1Cc2ccccc2O[C@H](C)C1=O ZINC000064542456 360157445 /nfs/dbraw/zinc/15/74/45/360157445.db2.gz VXXVOFQDUHLTFM-SNVBAGLBSA-N 0 0 219.284 2.206 50 0 BEAARN CC(C)(C)c1noc([C@@H]2CCCOC2)n1 ZINC000095396899 360337145 /nfs/dbraw/zinc/33/71/45/360337145.db2.gz CYMTZNDIGHTWRB-MRVPVSSYSA-N 0 0 210.277 2.261 50 0 BEAARN Cc1ccc(OCC(=O)N2CCCC[C@H]2C)cn1 ZINC000069740700 219827742 /nfs/dbraw/zinc/82/77/42/219827742.db2.gz LMXXWGJAODMAFU-GFCCVEGCSA-N 0 0 248.326 2.170 50 0 BEAARN CCN(Cc1ccncc1)C(=O)[C@H]1C[C@@H]1C ZINC000006699186 360606746 /nfs/dbraw/zinc/60/67/46/360606746.db2.gz DZOOTTSAJHPHAU-JQWIXIFHSA-N 0 0 218.300 2.086 50 0 BEAARN CC(C)Cc1nn(C)c2ncnc(Cl)c12 ZINC000238179882 360680093 /nfs/dbraw/zinc/68/00/93/360680093.db2.gz PEPTVDCZWBRHJG-UHFFFAOYSA-N 0 0 224.695 2.215 50 0 BEAARN CCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000006726584 360681261 /nfs/dbraw/zinc/68/12/61/360681261.db2.gz YDPGKKSSJWPHCV-GHMZBOCLSA-N 0 0 233.377 2.285 50 0 BEAARN NC(=O)c1cccc(NC(=O)C[C@@H]2C=CCC2)c1 ZINC000014019824 181304687 /nfs/dbraw/zinc/30/46/87/181304687.db2.gz PZNOGNLVAKKPDS-SNVBAGLBSA-N 0 0 244.294 2.080 50 0 BEAARN NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000005947120 181305803 /nfs/dbraw/zinc/30/58/03/181305803.db2.gz DNMKNMYJGWJJKJ-UHFFFAOYSA-N 0 0 227.263 2.365 50 0 BEAARN NC(=O)c1sc(-c2cccs2)cc1N ZINC000000081912 181314239 /nfs/dbraw/zinc/31/42/39/181314239.db2.gz YFLAQQQXQJSDOS-UHFFFAOYSA-N 0 0 224.310 2.158 50 0 BEAARN Cn1ncnc1Sc1nc2ccccc2o1 ZINC000192206219 219870629 /nfs/dbraw/zinc/87/06/29/219870629.db2.gz KSYBHHBAOCKRLQ-UHFFFAOYSA-N 0 0 232.268 2.108 50 0 BEAARN NC(=S)COc1cccc(Cl)c1 ZINC000000119906 181316390 /nfs/dbraw/zinc/31/63/90/181316390.db2.gz RPAOLVIADVQKNA-UHFFFAOYSA-N 0 0 201.678 2.005 50 0 BEAARN NC(=S)Nc1ccccc1C(F)(F)F ZINC000000165876 181319395 /nfs/dbraw/zinc/31/93/95/181319395.db2.gz FVXFFFHGYOYYQX-UHFFFAOYSA-N 0 0 220.219 2.361 50 0 BEAARN NC(=S)c1cc2cc(Cl)ccc2oc1=O ZINC000000279101 181320531 /nfs/dbraw/zinc/32/05/31/181320531.db2.gz OTEGYNLPBREDIV-UHFFFAOYSA-N 0 0 239.683 2.081 50 0 BEAARN NC(=S)c1ccc(Br)s1 ZINC000036379600 181320570 /nfs/dbraw/zinc/32/05/70/181320570.db2.gz DOMRYJIHWFBLBO-UHFFFAOYSA-N 0 0 222.132 2.145 50 0 BEAARN NC(=S)c1ccc(Br)cc1 ZINC000006512187 181320621 /nfs/dbraw/zinc/32/06/21/181320621.db2.gz AIPANIYQEBQYGC-UHFFFAOYSA-N 0 0 216.103 2.083 50 0 BEAARN NC(=S)c1ccc(-c2ccno2)s1 ZINC000012368952 181320729 /nfs/dbraw/zinc/32/07/29/181320729.db2.gz JPOGKMSUFXOSHM-UHFFFAOYSA-N 0 0 210.283 2.037 50 0 BEAARN CCCN(C[C@H]1CCOC1)C(=O)NCC(C)C ZINC000169749108 361023900 /nfs/dbraw/zinc/02/39/00/361023900.db2.gz NVGPPZAVFMVDBK-GFCCVEGCSA-N 0 0 242.363 2.101 50 0 BEAARN CCCNC(=O)N1CCCN(C)c2ccccc21 ZINC000169752007 361044685 /nfs/dbraw/zinc/04/46/85/361044685.db2.gz WNFHHXOKGCSKOJ-UHFFFAOYSA-N 0 0 247.342 2.453 50 0 BEAARN Cc1csc(CCNC(=O)c2ccoc2)n1 ZINC000036393611 361079582 /nfs/dbraw/zinc/07/95/82/361079582.db2.gz ODCYEJGBPLGBIV-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN CN(CC1(C)CCOCC1)C(=O)C1CCCC1 ZINC000169792589 361124975 /nfs/dbraw/zinc/12/49/75/361124975.db2.gz HDWSWWLENGLSGI-UHFFFAOYSA-N 0 0 239.359 2.452 50 0 BEAARN COc1ccc(-c2nccc(N(C)C)n2)cc1F ZINC000426381764 200982268 /nfs/dbraw/zinc/98/22/68/200982268.db2.gz RQVVXQFLKMNLFQ-UHFFFAOYSA-N 0 0 247.273 2.357 50 0 BEAARN Cc1n[nH]c(C)c1-c1ccc(OC(C)C)nn1 ZINC000426544948 200992579 /nfs/dbraw/zinc/99/25/79/200992579.db2.gz FYXUZCXPGNIFCO-UHFFFAOYSA-N 0 0 232.287 2.271 50 0 BEAARN Cc1nc(N)nc(-c2ccccc2CO)c1Cl ZINC000426724049 200997608 /nfs/dbraw/zinc/99/76/08/200997608.db2.gz VBECLBYTBLKXRV-UHFFFAOYSA-N 0 0 249.701 2.010 50 0 BEAARN Cc1cc(CN(C)Cc2ncc[nH]2)ccc1F ZINC000428461639 201020345 /nfs/dbraw/zinc/02/03/45/201020345.db2.gz PINZKDSITLXWKB-UHFFFAOYSA-N 0 0 233.290 2.489 50 0 BEAARN Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1C ZINC000007638243 364011515 /nfs/dbraw/zinc/01/15/15/364011515.db2.gz VSZQRNCPHOZNRE-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 BEAARN CNc1nc(N2CCC(C)(C)CC2)ncc1F ZINC000725271566 541339636 /nfs/dbraw/zinc/33/96/36/541339636.db2.gz HPNKQQKDUTWROK-UHFFFAOYSA-N 0 0 238.310 2.284 50 0 BEAARN CNc1nc(N2C[C@H](C)C[C@@H](C)C2)ncc1F ZINC000725273019 541340698 /nfs/dbraw/zinc/34/06/98/541340698.db2.gz XEASPQSMKUVIFJ-RKDXNWHRSA-N 0 0 238.310 2.140 50 0 BEAARN Cc1cc(-c2noc(C3CCC3)n2)cc(N)n1 ZINC000725273599 541341091 /nfs/dbraw/zinc/34/10/91/541341091.db2.gz NXZJLYOECFLSEU-UHFFFAOYSA-N 0 0 230.271 2.290 50 0 BEAARN O=C(/C=C/C1CC1)Nc1cc(F)ccc1O ZINC000095976264 541353665 /nfs/dbraw/zinc/35/36/65/541353665.db2.gz PUQOXAFEWVTMJK-ZZXKWVIFSA-N 0 0 221.231 2.436 50 0 BEAARN O=C1C[C@H](c2c[nH]cn2)C2(CCCCC2)O1 ZINC000012284927 370839780 /nfs/dbraw/zinc/83/97/80/370839780.db2.gz ZJRSMBIWNOTRGY-SECBINFHSA-N 0 0 220.272 2.143 50 0 BEAARN Cn1cccc1C(=O)NC1CCCCCC1 ZINC000003414497 367841752 /nfs/dbraw/zinc/84/17/52/367841752.db2.gz LUYLNJFWOBUKPM-UHFFFAOYSA-N 0 0 220.316 2.478 50 0 BEAARN CCc1cc2c(ncnc2N2CCC2)s1 ZINC000012552297 367927813 /nfs/dbraw/zinc/92/78/13/367927813.db2.gz PTLWVLOIUXGSJY-UHFFFAOYSA-N 0 0 219.313 2.464 50 0 BEAARN COC(C)(C)OCCOc1ccccc1 ZINC000003075540 368369496 /nfs/dbraw/zinc/36/94/96/368369496.db2.gz VLVZDTIDBIPLKT-UHFFFAOYSA-N 0 0 210.273 2.465 50 0 BEAARN CSc1ncnn2c(Br)ccc12 ZINC000114733660 368343308 /nfs/dbraw/zinc/34/33/08/368343308.db2.gz FNVWNYDVMCWRQD-UHFFFAOYSA-N 0 0 244.117 2.214 50 0 BEAARN CCOC(=O)C1=C(O)CCC2(CCC2)C1 ZINC000145473773 368349789 /nfs/dbraw/zinc/34/97/89/368349789.db2.gz IFLIONPIQRLKTJ-VIFPVBQESA-N 0 0 210.273 2.089 50 0 BEAARN Cc1ccc2[nH]c(CN3CCSCC3)nc2c1 ZINC000196867748 368397929 /nfs/dbraw/zinc/39/79/29/368397929.db2.gz FGZHIVBMUJNZEI-UHFFFAOYSA-N 0 0 247.367 2.420 50 0 BEAARN O=C([O-])C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000198528760 368398336 /nfs/dbraw/zinc/39/83/36/368398336.db2.gz HNPKFUZUQMRRMP-LBPRGKRZSA-N 0 0 237.274 2.437 50 0 BEAARN CCO[C@H]1CN(C)C[C@H](c2ccccc2)O1 ZINC000095918175 368382974 /nfs/dbraw/zinc/38/29/74/368382974.db2.gz JGUIJGYNKPSEDJ-CHWSQXEVSA-N 0 0 221.300 2.052 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C)O ZINC000113902577 368386094 /nfs/dbraw/zinc/38/60/94/368386094.db2.gz UJNOLBSYLSYIBM-KXNHARMFSA-N 0 0 228.332 2.371 50 0 BEAARN CC(C)(C)OC(=O)N1CCC/C(=C(\F)CO)C1 ZINC000146951164 368395217 /nfs/dbraw/zinc/39/52/17/368395217.db2.gz LZCGMXWLFIVGKZ-MDZDMXLPSA-N 0 0 245.294 2.233 50 0 BEAARN Cc1ccc2[nH]c(C[NH2+][C@@H]3CCSC3)nc2c1 ZINC000584890070 369036965 /nfs/dbraw/zinc/03/69/65/369036965.db2.gz NYEUQKYNNOSOTQ-SNVBAGLBSA-N 0 0 247.367 2.466 50 0 BEAARN CCc1ccc(C(=O)N(C)Cc2cscn2)[nH]1 ZINC000584897358 369045445 /nfs/dbraw/zinc/04/54/45/369045445.db2.gz CPMKXMPBETVPDW-UHFFFAOYSA-N 0 0 249.339 2.306 50 0 BEAARN CC(C)(C(=O)Nc1nncs1)c1ccccc1 ZINC000027755144 370506585 /nfs/dbraw/zinc/50/65/85/370506585.db2.gz IIGNOJZORFPHTJ-UHFFFAOYSA-N 0 0 247.323 2.454 50 0 BEAARN CCCC(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000013359495 371048312 /nfs/dbraw/zinc/04/83/12/371048312.db2.gz RNBOADGNRXNEPF-UHFFFAOYSA-N 0 0 230.271 2.210 50 0 BEAARN c1coc(-c2nc3c[nH]n(CC4CC4)c-3n2)c1 ZINC000019336820 371131161 /nfs/dbraw/zinc/13/11/61/371131161.db2.gz QOBGVUMKWTUMKZ-UHFFFAOYSA-N 0 0 228.255 2.429 50 0 BEAARN CCNC(=O)N1CCCC[C@@H]1CCOC(C)C ZINC000078806324 371139766 /nfs/dbraw/zinc/13/97/66/371139766.db2.gz FMKSZZJFLHCTLD-GFCCVEGCSA-N 0 0 242.363 2.386 50 0 BEAARN Cc1n[nH]c(C)c1CNc1cncc(Cl)n1 ZINC000078806375 371139841 /nfs/dbraw/zinc/13/98/41/371139841.db2.gz NTKPBBZSKQTAQO-UHFFFAOYSA-N 0 0 237.694 2.082 50 0 BEAARN O=C(Nc1cc(F)ccc1O)c1cscn1 ZINC000079014374 371172839 /nfs/dbraw/zinc/17/28/39/371172839.db2.gz NDUNEIGMCIMESP-UHFFFAOYSA-N 0 0 238.243 2.240 50 0 BEAARN CCN(Cc1noc(C)n1)C(=O)[C@@H]1CC=CCC1 ZINC000020543277 371293811 /nfs/dbraw/zinc/29/38/11/371293811.db2.gz RHOMDSWGUKBZMH-LLVKDONJSA-N 0 0 249.314 2.083 50 0 BEAARN Nc1cc(CCCc2cccs2)no1 ZINC000034939713 181681336 /nfs/dbraw/zinc/68/13/36/181681336.db2.gz YKPXHDZGGCTGBA-UHFFFAOYSA-N 0 0 208.286 2.494 50 0 BEAARN Nc1c2cccnc2sc1C(=O)N1CCCC1 ZINC000010010519 181666549 /nfs/dbraw/zinc/66/65/49/181666549.db2.gz LUJRZWQZXYCFHZ-UHFFFAOYSA-N 0 0 247.323 2.115 50 0 BEAARN CCc1nc(C)c(-c2nc([C@H]3CCOC3)no2)o1 ZINC000096137112 371419651 /nfs/dbraw/zinc/41/96/51/371419651.db2.gz GIHXFNIGWRHDPY-QMMMGPOBSA-N 0 0 249.270 2.099 50 0 BEAARN Nc1ccc(C(=O)OC2CCCC2)cc1 ZINC000001426166 181702614 /nfs/dbraw/zinc/70/26/14/181702614.db2.gz XDOAGFCZGPCSHC-UHFFFAOYSA-N 0 0 205.257 2.368 50 0 BEAARN Nc1cccc(OCc2ccccc2)c1N ZINC000005331677 181747385 /nfs/dbraw/zinc/74/73/85/181747385.db2.gz NSGSUVJJLZZPPY-UHFFFAOYSA-N 0 0 214.268 2.430 50 0 BEAARN Nc1cnc(-c2ccc(-c3cc[nH]n3)cc2)cn1 ZINC000067878257 181766310 /nfs/dbraw/zinc/76/63/10/181766310.db2.gz VELRKCUCYJUZOP-UHFFFAOYSA-N 0 0 237.266 2.116 50 0 BEAARN CC(=O)NC1Nc2cc(C)ccc2S1 ZINC000334157434 371507542 /nfs/dbraw/zinc/50/75/42/371507542.db2.gz RCAOIRMKBORFEK-UHFFFAOYSA-N 0 0 207.278 2.096 50 0 BEAARN Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1 ZINC000034928910 181770891 /nfs/dbraw/zinc/77/08/91/181770891.db2.gz KHRIZXQKNHEDSM-UHFFFAOYSA-N 0 0 217.316 2.391 50 0 BEAARN CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022578829 371550832 /nfs/dbraw/zinc/55/08/32/371550832.db2.gz NNVNWHFJCBUKDN-RMKNXTFCSA-N 0 0 230.355 2.337 50 0 BEAARN CCN1c2ccccc2N[C@H](C)CC1=O ZINC000021793340 371495490 /nfs/dbraw/zinc/49/54/90/371495490.db2.gz QQNVOFGQOYUILD-SECBINFHSA-N 0 0 204.273 2.244 50 0 BEAARN Cc1cc(C)n(CCCNC(=O)C2CCCC2)n1 ZINC000028573264 371615449 /nfs/dbraw/zinc/61/54/49/371615449.db2.gz JFFOGOCVWFDOBH-UHFFFAOYSA-N 0 0 249.358 2.196 50 0 BEAARN CCCc1cc(C(=O)NCC(C)C)no1 ZINC000002498051 371560219 /nfs/dbraw/zinc/56/02/19/371560219.db2.gz JISJPOSAIVVOOF-UHFFFAOYSA-N 0 0 210.277 2.013 50 0 BEAARN Nc1cccc(NC(=O)Nc2cccc(N)c2)c1 ZINC000002565490 371594347 /nfs/dbraw/zinc/59/43/47/371594347.db2.gz IKLYNYSRJGANON-UHFFFAOYSA-N 0 0 242.282 2.495 50 0 BEAARN Cc1cc(C(=O)NC2CCCCCC2)on1 ZINC000028644514 371628747 /nfs/dbraw/zinc/62/87/47/371628747.db2.gz ANFCKAJSQWUACU-UHFFFAOYSA-N 0 0 222.288 2.436 50 0 BEAARN Nc1nc(SCc2ccccc2)ns1 ZINC000000375151 181789199 /nfs/dbraw/zinc/78/91/99/181789199.db2.gz UOIUWIYFNWLYPM-UHFFFAOYSA-N 0 0 223.326 2.413 50 0 BEAARN CC(=O)NCc1nc2ccccc2n1CC(C)C ZINC000002721280 371639296 /nfs/dbraw/zinc/63/92/96/371639296.db2.gz BXQDARSSZJAHJI-UHFFFAOYSA-N 0 0 245.326 2.328 50 0 BEAARN Nc1nc(Cl)cc(N2CCc3ccccc32)n1 ZINC000040067417 181782623 /nfs/dbraw/zinc/78/26/23/181782623.db2.gz PYAJMTRGVPNWOP-UHFFFAOYSA-N 0 0 246.701 2.406 50 0 BEAARN Nc1noc2c1cccc2Br ZINC000051951614 181816072 /nfs/dbraw/zinc/81/60/72/181816072.db2.gz UVIIPEZSYZNVET-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN Nc1nnc(-c2csc(-c3ccccc3)n2)o1 ZINC000043830241 181813633 /nfs/dbraw/zinc/81/36/33/181813633.db2.gz YNWHDWDTWQHETN-UHFFFAOYSA-N 0 0 244.279 2.442 50 0 BEAARN O=C(COC(=O)C1CCC1)c1ccc(F)cc1 ZINC000003256064 371931924 /nfs/dbraw/zinc/93/19/24/371931924.db2.gz YCEWRYSWBUXSJC-UHFFFAOYSA-N 0 0 236.242 2.352 50 0 BEAARN Cc1cnc(C(=O)Nc2ccc(F)cc2)cn1 ZINC000003331900 371960781 /nfs/dbraw/zinc/96/07/81/371960781.db2.gz FIIZROIASXUOFQ-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN CN(C)c1ccc(C(=O)Nc2nccs2)cc1 ZINC000003346941 371963920 /nfs/dbraw/zinc/96/39/20/371963920.db2.gz RGXFQNTVZRGDNG-UHFFFAOYSA-N 0 0 247.323 2.461 50 0 in-vivo BEAARN C/C(=C/C(=O)NCc1cnn(C)c1C)C(C)(C)C ZINC000606442671 372102991 /nfs/dbraw/zinc/10/29/91/372102991.db2.gz QCGJHTLWCKFQID-YFHOEESVSA-N 0 0 249.358 2.337 50 0 BEAARN O=C(C/C=C\Cc1ccccc1)NCCCCO ZINC000606444866 372104196 /nfs/dbraw/zinc/10/41/96/372104196.db2.gz TUWJLTMFRHDZOF-PLNGDYQASA-N 0 0 247.338 2.064 50 0 BEAARN O=C(C1CCOCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089818831 181871496 /nfs/dbraw/zinc/87/14/96/181871496.db2.gz XPMUXKYNHPNVTI-STQMWFEESA-N 0 0 237.343 2.062 50 0 BEAARN O=C(C1CCC1)N(Cc1ccccn1)C1CC1 ZINC000040465400 181866293 /nfs/dbraw/zinc/86/62/93/181866293.db2.gz XXIFVYKRGMJHCE-UHFFFAOYSA-N 0 0 230.311 2.373 50 0 BEAARN CC(C)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000031955167 372127293 /nfs/dbraw/zinc/12/72/93/372127293.db2.gz LRGDSHFRRCHVEA-UHFFFAOYSA-N 0 0 240.690 2.033 50 0 BEAARN Nc1cccc2c1n[nH]c2-c1cccnc1 ZINC000031991957 372130551 /nfs/dbraw/zinc/13/05/51/372130551.db2.gz NEQVNKMIHLVEJU-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN O=C(C=C1CSC1)OCc1ccccc1 ZINC000095628879 181878369 /nfs/dbraw/zinc/87/83/69/181878369.db2.gz YRMJBZIPJOULRP-UHFFFAOYSA-N 0 0 220.293 2.403 50 0 BEAARN O=C(CC(F)(F)F)NCc1cccc(F)c1 ZINC000040498868 181881291 /nfs/dbraw/zinc/88/12/91/181881291.db2.gz DSKOKVKFSAPVPL-UHFFFAOYSA-N 0 0 235.180 2.394 50 0 BEAARN Cn1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC000008095595 372331014 /nfs/dbraw/zinc/33/10/14/372331014.db2.gz JSBKKIAMBYPNQL-NEPJUHHUSA-N 0 0 247.342 2.072 50 0 BEAARN Cn1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000008095592 372331140 /nfs/dbraw/zinc/33/11/40/372331140.db2.gz JSBKKIAMBYPNQL-NWDGAFQWSA-N 0 0 247.342 2.072 50 0 BEAARN CC[C@@H](C)NC(=O)c1cccnc1SC ZINC000008267801 372533643 /nfs/dbraw/zinc/53/36/43/372533643.db2.gz GATYYXWOAKWESC-MRVPVSSYSA-N 0 0 224.329 2.332 50 0 BEAARN O=C(CCc1ccccc1)NCc1ccccn1 ZINC000000198541 181930802 /nfs/dbraw/zinc/93/08/02/181930802.db2.gz WFFQWKXPKXIRJG-UHFFFAOYSA-N 0 0 240.306 2.331 50 0 BEAARN O=C(CCc1ccsc1)N1CCSCC1 ZINC000049208985 181937100 /nfs/dbraw/zinc/93/71/00/181937100.db2.gz XBWKTDVGLUCGTD-UHFFFAOYSA-N 0 0 241.381 2.256 50 0 BEAARN CC(C)n1nc(-c2ccccc2)ccc1=O ZINC000038790846 372769578 /nfs/dbraw/zinc/76/95/78/372769578.db2.gz NBJZWSPMEGALTK-UHFFFAOYSA-N 0 0 214.268 2.491 50 0 BEAARN COC(=O)c1cnn2ccc3ccccc3c12 ZINC000038889143 372803787 /nfs/dbraw/zinc/80/37/87/372803787.db2.gz TZDLPNBPBHGKKW-UHFFFAOYSA-N 0 0 226.235 2.274 50 0 BEAARN O=C(COc1ccc(Cl)cc1)n1cccn1 ZINC000006343011 182000158 /nfs/dbraw/zinc/00/01/58/182000158.db2.gz UGTYGJPUUGTILS-UHFFFAOYSA-N 0 0 236.658 2.256 50 0 BEAARN O=C(COc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000000565881 182002467 /nfs/dbraw/zinc/00/24/67/182002467.db2.gz KHHWHWQAUKLMIB-SCRDCRAPSA-N 0 0 245.322 2.370 50 0 BEAARN CCc1n[nH]c(C)c1-c1ccc(OC)nc1OC ZINC000426512168 372859756 /nfs/dbraw/zinc/85/97/56/372859756.db2.gz NNWDLETZPPKSGO-UHFFFAOYSA-N 0 0 247.298 2.360 50 0 BEAARN O=C(C[C@@H]1C=CCC1)N=c1[nH]c2ccccc2[nH]1 ZINC000017304194 182013564 /nfs/dbraw/zinc/01/35/64/182013564.db2.gz PBCQOZAJGSVUSI-SNVBAGLBSA-N 0 0 241.294 2.280 50 0 BEAARN O=C(C[C@@H]1CCOC1)N1CCC2(CCCC2)C1 ZINC000371803558 182020764 /nfs/dbraw/zinc/02/07/64/182020764.db2.gz YXGDLIRUYVFCFB-LBPRGKRZSA-N 0 0 237.343 2.206 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCc1ccccn1 ZINC000040465305 182024992 /nfs/dbraw/zinc/02/49/92/182024992.db2.gz KHPZWSBCFFODIB-NSHDSACASA-N 0 0 216.284 2.054 50 0 BEAARN O=C(Cc1ccc(F)cc1)NCc1ccccn1 ZINC000000339754 182035991 /nfs/dbraw/zinc/03/59/91/182035991.db2.gz XJIONHJIIAVRGP-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1ccccc1)NC1CCCC1 ZINC000000409521 182043486 /nfs/dbraw/zinc/04/34/86/182043486.db2.gz CWXWFAICHWYIPH-UHFFFAOYSA-N 0 0 203.285 2.288 50 0 BEAARN O=C(Cc1ccccc1)Nc1cccnc1 ZINC000000889044 182043834 /nfs/dbraw/zinc/04/38/34/182043834.db2.gz NYGIAKBYRXFSEN-UHFFFAOYSA-N 0 0 212.252 2.263 50 0 BEAARN O=C(Cc1ccccc1F)NCC(F)(F)F ZINC000042236874 182045016 /nfs/dbraw/zinc/04/50/16/182045016.db2.gz DBJIPKAMIQRGSK-UHFFFAOYSA-N 0 0 235.180 2.047 50 0 BEAARN O=C(Cc1ccccc1F)NC1CCCC1 ZINC000008714191 182045032 /nfs/dbraw/zinc/04/50/32/182045032.db2.gz YYFXYBHCQFTATB-UHFFFAOYSA-N 0 0 221.275 2.427 50 0 BEAARN O=C(Cc1cccs1)NC[C@@H]1CCCS1 ZINC000096462157 182052121 /nfs/dbraw/zinc/05/21/21/182052121.db2.gz LJFBBGQFVQLRAQ-JTQLQIEISA-N 0 0 241.381 2.302 50 0 BEAARN O=C(Cc1cccs1)Nc1cccnc1 ZINC000000068286 182052367 /nfs/dbraw/zinc/05/23/67/182052367.db2.gz UGDMZQZOAZKQKV-UHFFFAOYSA-N 0 0 218.281 2.324 50 0 BEAARN CC[C@H](C)NC(=O)CCc1ccc2c(c1)CCO2 ZINC000068741296 373052540 /nfs/dbraw/zinc/05/25/40/373052540.db2.gz OYHHUQIRCLQFTQ-NSHDSACASA-N 0 0 247.338 2.469 50 0 BEAARN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)OC ZINC000068708506 373047765 /nfs/dbraw/zinc/04/77/65/373047765.db2.gz JJTVJYIRQKTDEE-IJLUTSLNSA-N 0 0 227.348 2.496 50 0 BEAARN O=C(Cn1ccnc1)c1cccc(Cl)c1 ZINC000037340514 182070570 /nfs/dbraw/zinc/07/05/70/182070570.db2.gz UXKAESQNAIYGLB-UHFFFAOYSA-N 0 0 220.659 2.419 50 0 BEAARN O=C(Cn1ccnc1)Nc1ccc2c(c1)CCC2 ZINC000010809503 182070844 /nfs/dbraw/zinc/07/08/44/182070844.db2.gz BLGGYFHFEZAAHL-UHFFFAOYSA-N 0 0 241.294 2.011 50 0 BEAARN O=C(Cn1ccccc1=O)c1ccc(Cl)cc1 ZINC000000179379 182066851 /nfs/dbraw/zinc/06/68/51/182066851.db2.gz MZFXBVCPIXLEHF-UHFFFAOYSA-N 0 0 247.681 2.385 50 0 BEAARN COC(=O)c1sccc1NC(=O)C1CCC1 ZINC000008939008 373108367 /nfs/dbraw/zinc/10/83/67/373108367.db2.gz INVBFSJICFWYFB-UHFFFAOYSA-N 0 0 239.296 2.273 50 0 BEAARN O=C(Cn1cccn1)Nc1ccc2c(c1)CCC2 ZINC000032492026 182069634 /nfs/dbraw/zinc/06/96/34/182069634.db2.gz LWRUONBQYKMJCO-UHFFFAOYSA-N 0 0 241.294 2.011 50 0 BEAARN CC(C)CNC(=O)c1cc2occc2n1C ZINC000040284667 373161834 /nfs/dbraw/zinc/16/18/34/373161834.db2.gz XAZQTRWAUAVRMI-UHFFFAOYSA-N 0 0 220.272 2.157 50 0 BEAARN O=C(N1CCC(c2ccccc2)=N1)C(F)(F)F ZINC000001443406 182079521 /nfs/dbraw/zinc/07/95/21/182079521.db2.gz JEFNECLKXQZIGP-UHFFFAOYSA-N 0 0 242.200 2.185 50 0 BEAARN O=C(n1ccnc1)N1CC[C@H](c2ccccc2)C1 ZINC000089828102 182083338 /nfs/dbraw/zinc/08/33/38/182083338.db2.gz CQQCUQFLASVONI-ZDUSSCGKSA-N 0 0 241.294 2.341 50 0 BEAARN O=C(NC1CC(F)(F)C1)c1cccs1 ZINC000277013053 182093223 /nfs/dbraw/zinc/09/32/23/182093223.db2.gz LVISAUIYYNGRMJ-UHFFFAOYSA-N 0 0 217.240 2.276 50 0 BEAARN O=C(NC1CC(F)(F)C1)c1ccsc1 ZINC000277068493 182093251 /nfs/dbraw/zinc/09/32/51/182093251.db2.gz SBCYIAQLIMXPTB-UHFFFAOYSA-N 0 0 217.240 2.276 50 0 BEAARN O=C(NC1=NCCS1)c1cc2ccccc2[nH]1 ZINC000009884534 182093653 /nfs/dbraw/zinc/09/36/53/182093653.db2.gz ODQAOMGOIXDPMN-UHFFFAOYSA-N 0 0 245.307 2.001 50 0 BEAARN O=C(NC1CC1)c1ccccc1-n1cccc1 ZINC000032070317 182101029 /nfs/dbraw/zinc/10/10/29/182101029.db2.gz BPLCRLRLEDBEFH-UHFFFAOYSA-N 0 0 226.279 2.370 50 0 BEAARN O=C(NC1CC1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000014263008 182098979 /nfs/dbraw/zinc/09/89/79/182098979.db2.gz UZWSTACWYPJQNE-UHFFFAOYSA-N 0 0 245.257 2.108 50 0 BEAARN O=C(NC1CC1)c1ccc2ccccc2c1O ZINC000009643114 182099914 /nfs/dbraw/zinc/09/99/14/182099914.db2.gz LPDRYBYCPFVRAB-UHFFFAOYSA-N 0 0 227.263 2.438 50 0 BEAARN O=C(NC1CC1)c1ccc(F)cc1Cl ZINC000003222149 182100444 /nfs/dbraw/zinc/10/04/44/182100444.db2.gz ZIHYVDZTJYWVHZ-UHFFFAOYSA-N 0 0 213.639 2.371 50 0 BEAARN O=C(NC1CCCC1)c1cccc2c[nH]nc21 ZINC000039553411 182111388 /nfs/dbraw/zinc/11/13/88/182111388.db2.gz DFHOEAIDLNFGRY-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN O=C(NC1CCCCC1)c1ccc(CO)cc1 ZINC000033019321 182113025 /nfs/dbraw/zinc/11/30/25/182113025.db2.gz HTOLRQZMPOJHJB-UHFFFAOYSA-N 0 0 233.311 2.241 50 0 BEAARN Cc1csc(CNC(=O)CSC(C)C)n1 ZINC000040498761 373337337 /nfs/dbraw/zinc/33/73/37/373337337.db2.gz BJVAZCWNMORQGL-UHFFFAOYSA-N 0 0 244.385 2.209 50 0 BEAARN O=C(NC1CCC1)c1ccccc1-c1ncc[nH]1 ZINC000020995648 182106748 /nfs/dbraw/zinc/10/67/48/182106748.db2.gz WCJJWPGEZVHAGW-UHFFFAOYSA-N 0 0 241.294 2.359 50 0 BEAARN CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2C(=O)NC(=O)[C@@H]21 ZINC000100740619 205557673 /nfs/dbraw/zinc/55/76/73/205557673.db2.gz QIHKOLSLJMRHDJ-WHOHXGKFSA-N 0 0 233.311 2.054 50 0 biogenic BEAARN CON(C)C(=O)c1cc(C)nc2cc(F)ccc21 ZINC000040506295 373371279 /nfs/dbraw/zinc/37/12/79/373371279.db2.gz NHQMUNNUZYXEBN-UHFFFAOYSA-N 0 0 248.257 2.316 50 0 BEAARN CCc1nc(CCNc2ncccn2)sc1C ZINC000069530223 373399610 /nfs/dbraw/zinc/39/96/10/373399610.db2.gz NKNKDCVTTZUACL-UHFFFAOYSA-N 0 0 248.355 2.459 50 0 BEAARN O=C(CCc1ccsc1)Nc1c[nH]ccc1=O ZINC000040527849 373456322 /nfs/dbraw/zinc/45/63/22/373456322.db2.gz IRTGBZYJMOZVGP-UHFFFAOYSA-N 0 0 248.307 2.008 50 0 BEAARN O=C(NCC1(c2cccs2)CC1)c1ccno1 ZINC000038592921 182132710 /nfs/dbraw/zinc/13/27/10/182132710.db2.gz NBMGQWOXQNLRPY-UHFFFAOYSA-N 0 0 248.307 2.198 50 0 BEAARN O=C(NCC1(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000021047679 182132806 /nfs/dbraw/zinc/13/28/06/182132806.db2.gz FGMRKVWUPHMIKE-CYBMUJFWSA-N 0 0 245.322 2.013 50 0 BEAARN O=C(NCC1CC1)c1cncn1-c1ccccc1 ZINC000032909808 182141816 /nfs/dbraw/zinc/14/18/16/182141816.db2.gz LZBWHUCOBZMJAQ-UHFFFAOYSA-N 0 0 241.294 2.012 50 0 BEAARN O=C(NCC1CC1)c1cccc(Cl)c1 ZINC000032909791 182142131 /nfs/dbraw/zinc/14/21/31/182142131.db2.gz MNPPWWBSJOTWDN-UHFFFAOYSA-N 0 0 209.676 2.480 50 0 BEAARN O=C(NCC1CC1)c1c[nH]nc1-c1ccccc1 ZINC000072328826 182142268 /nfs/dbraw/zinc/14/22/68/182142268.db2.gz FSHMGHPWJINTHQ-UHFFFAOYSA-N 0 0 241.294 2.217 50 0 BEAARN O=C(NCC1CC1)c1cnn(-c2ccccc2)c1 ZINC000012866521 182142361 /nfs/dbraw/zinc/14/23/61/182142361.db2.gz YOTVSSDLUQDRMW-UHFFFAOYSA-N 0 0 241.294 2.012 50 0 BEAARN O=C(NCC1CCCCC1)c1ccncc1 ZINC000001053631 182145830 /nfs/dbraw/zinc/14/58/30/182145830.db2.gz YQPNZGMZXMUKSU-UHFFFAOYSA-N 0 0 218.300 2.392 50 0 BEAARN O=C(NCC1CCCC1)c1cn2ccccc2n1 ZINC000046261911 182146643 /nfs/dbraw/zinc/14/66/43/182146643.db2.gz OSRZMHAOMDASTC-UHFFFAOYSA-N 0 0 243.310 2.254 50 0 BEAARN O=C(NCCC1=CCCCC1)c1ccc(=O)oc1 ZINC000000528497 182152697 /nfs/dbraw/zinc/15/26/97/182152697.db2.gz IEEHZEAGMMCYHS-UHFFFAOYSA-N 0 0 247.294 2.260 50 0 BEAARN CN(C)c1nc(-c2ccc(O)cc2O)cs1 ZINC000009256717 373701929 /nfs/dbraw/zinc/70/19/29/373701929.db2.gz FHMHDRYRERNMRE-UHFFFAOYSA-N 0 0 236.296 2.287 50 0 BEAARN O=C(NCCOc1ccccc1)c1ccoc1 ZINC000023135794 182197484 /nfs/dbraw/zinc/19/74/84/182197484.db2.gz NKTZOZOJYKIIJT-UHFFFAOYSA-N 0 0 231.251 2.088 50 0 BEAARN O=C(NCCOc1ccc(F)cc1)c1ccoc1 ZINC000030131086 182197566 /nfs/dbraw/zinc/19/75/66/182197566.db2.gz LHVAKFLNJRSKCS-UHFFFAOYSA-N 0 0 249.241 2.228 50 0 BEAARN O=C(NCCOc1ccccc1Cl)C(F)F ZINC000280033563 182198029 /nfs/dbraw/zinc/19/80/29/182198029.db2.gz YZOTXRIIDQWFID-UHFFFAOYSA-N 0 0 249.644 2.100 50 0 BEAARN O=C(NCCc1ccc(F)cc1)C1CCC1 ZINC000013327835 182201436 /nfs/dbraw/zinc/20/14/36/182201436.db2.gz WDWRAQLYCWIXFW-UHFFFAOYSA-N 0 0 221.275 2.285 50 0 BEAARN O=C(NCCc1ccc(F)cc1)N1CCCC1 ZINC000012906970 182202170 /nfs/dbraw/zinc/20/21/70/182202170.db2.gz WMZWEGYLBZEUIV-UHFFFAOYSA-N 0 0 236.290 2.174 50 0 BEAARN O=C(NCCc1ccccc1)C1CCC1 ZINC000040457534 182204578 /nfs/dbraw/zinc/20/45/78/182204578.db2.gz FCFHIPNPVWTZPD-UHFFFAOYSA-N 0 0 203.285 2.145 50 0 BEAARN O=C(NCCc1ccccc1)NC1CCCC1 ZINC000030987400 182204614 /nfs/dbraw/zinc/20/46/14/182204614.db2.gz OFGUUFQNOZBOTH-UHFFFAOYSA-N 0 0 232.327 2.471 50 0 BEAARN O=C(NCCc1cccnc1)c1ccccc1 ZINC000023874742 182207846 /nfs/dbraw/zinc/20/78/46/182207846.db2.gz RCTBDCAWSPWKAU-UHFFFAOYSA-N 0 0 226.279 2.054 50 0 BEAARN O=C(NCCc1ccsc1)C1CCC1 ZINC000036392901 182210698 /nfs/dbraw/zinc/21/06/98/182210698.db2.gz NWCUHUPARYTCJY-UHFFFAOYSA-N 0 0 209.314 2.207 50 0 BEAARN CCCCNC(=O)Nc1nnc(C2CC2)s1 ZINC000028225532 168853977 /nfs/dbraw/zinc/85/39/77/168853977.db2.gz ROVHWNJIQIZPPO-UHFFFAOYSA-N 0 0 240.332 2.337 50 0 BEAARN COC(=O)N1CCc2ccc(N3CCCC3)cc21 ZINC000041121047 374112072 /nfs/dbraw/zinc/11/20/72/374112072.db2.gz DSSUWEDBZAXCPX-UHFFFAOYSA-N 0 0 246.310 2.416 50 0 BEAARN Cc1ccc(OCc2nccn2C)cc1 ZINC000070256160 374134896 /nfs/dbraw/zinc/13/48/96/374134896.db2.gz AQKKPRVATDKXLU-UHFFFAOYSA-N 0 0 202.257 2.308 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)c1ccnc(F)c1 ZINC000041039632 374095639 /nfs/dbraw/zinc/09/56/39/374095639.db2.gz GIGXWKQKUUOQEJ-SECBINFHSA-N 0 0 248.257 2.175 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000008678590 182239464 /nfs/dbraw/zinc/23/94/64/182239464.db2.gz CEZZBSVTSVXDSB-SSDOTTSWSA-N 0 0 245.731 2.310 50 0 BEAARN COC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000041421859 374139736 /nfs/dbraw/zinc/13/97/36/374139736.db2.gz WIWYUMLFLGREMI-JQWIXIFHSA-N 0 0 235.283 2.215 50 0 BEAARN COC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000041424145 374140491 /nfs/dbraw/zinc/14/04/91/374140491.db2.gz KVWROTRFKNMNCH-ZYHUDNBSSA-N 0 0 235.283 2.215 50 0 BEAARN CC(C)CNC(=O)N1CCn2cccc2[C@H]1C ZINC000009528116 374145211 /nfs/dbraw/zinc/14/52/11/374145211.db2.gz PLUVCIFDDFJGPO-LLVKDONJSA-N 0 0 235.331 2.230 50 0 BEAARN CCCCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000068322726 168856266 /nfs/dbraw/zinc/85/62/66/168856266.db2.gz FPAYFUMUGXCBRD-MRVPVSSYSA-N 0 0 224.131 2.487 50 0 BEAARN O=C(NC[C@H]1CC=CCC1)[C@@H]1CC1(F)F ZINC000294770546 182235265 /nfs/dbraw/zinc/23/52/65/182235265.db2.gz QXBIPSVSCQQLKA-IUCAKERBSA-N 0 0 215.243 2.114 50 0 BEAARN O=C(NCc1cccc(Cl)c1)C1CC1 ZINC000021310651 182253023 /nfs/dbraw/zinc/25/30/23/182253023.db2.gz ZMHJKGPETGNZDX-UHFFFAOYSA-N 0 0 209.676 2.366 50 0 BEAARN O=C(NCc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000001055701 182253125 /nfs/dbraw/zinc/25/31/25/182253125.db2.gz JVUIAGILKKGFTQ-LLVKDONJSA-N 0 0 239.702 2.135 50 0 BEAARN O=C(NCc1cccc(F)c1)c1cccnc1 ZINC000043746178 182253995 /nfs/dbraw/zinc/25/39/95/182253995.db2.gz OQVAUSJCIOAMBD-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccc(F)cc1)C1CCC1 ZINC000008719455 182250460 /nfs/dbraw/zinc/25/04/60/182250460.db2.gz IKBXDZOMUHWKNB-UHFFFAOYSA-N 0 0 207.248 2.242 50 0 BEAARN O=C(NCc1ccccc1)c1cc(O)cc(F)c1 ZINC000261494117 182256792 /nfs/dbraw/zinc/25/67/92/182256792.db2.gz QGYYUAGABFGPIL-UHFFFAOYSA-N 0 0 245.253 2.461 50 0 BEAARN O=C(NCc1ccccc1Cl)[C@H]1CCCO1 ZINC000000611552 182257357 /nfs/dbraw/zinc/25/73/57/182257357.db2.gz LPADWTQTRNUCDZ-LLVKDONJSA-N 0 0 239.702 2.135 50 0 BEAARN O=C(NCc1ccccc1)c1ccccc1CO ZINC000000346887 182257401 /nfs/dbraw/zinc/25/74/01/182257401.db2.gz CYMDYUHOPAWQJF-UHFFFAOYSA-N 0 0 241.290 2.109 50 0 BEAARN C[C@@H](O)CNc1ncnc2c3ccccc3oc21 ZINC000010021245 374270440 /nfs/dbraw/zinc/27/04/40/374270440.db2.gz JURQUWNGFMYGIO-MRVPVSSYSA-N 0 0 243.266 2.169 50 0 BEAARN O=C(NCc1ccncc1)c1cccnc1Cl ZINC000005936406 182265052 /nfs/dbraw/zinc/26/50/52/182265052.db2.gz AGUVJWDDWZKLAT-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN O=C(NCc1ccccc1F)c1ccccc1O ZINC000007755393 182258069 /nfs/dbraw/zinc/25/80/69/182258069.db2.gz ICCFVGQVDRHUJX-UHFFFAOYSA-N 0 0 245.253 2.461 50 0 BEAARN O=C(NCc1ccccn1)c1ccc(F)c(F)c1 ZINC000007149913 182259193 /nfs/dbraw/zinc/25/91/93/182259193.db2.gz KFYGSWLRQZKGOZ-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1cccnc1)c1ccccc1 ZINC000000304623 182260348 /nfs/dbraw/zinc/26/03/48/182260348.db2.gz HRKKGFODPBEUJP-UHFFFAOYSA-N 0 0 212.252 2.012 50 0 BEAARN O=C(NCc1ccco1)NC1CCCC1 ZINC000009874282 182261802 /nfs/dbraw/zinc/26/18/02/182261802.db2.gz AFKMLPKNWUEOQZ-UHFFFAOYSA-N 0 0 208.261 2.021 50 0 BEAARN O=C(NCc1ccsc1)NCc1ccccn1 ZINC000047596244 182268720 /nfs/dbraw/zinc/26/87/20/182268720.db2.gz QSTJCOFVMOIYSB-UHFFFAOYSA-N 0 0 247.323 2.143 50 0 BEAARN O=C(CNc1ccccc1Cl)NC1CC1 ZINC000010223145 374283578 /nfs/dbraw/zinc/28/35/78/374283578.db2.gz PDVVHYIZGIRORX-UHFFFAOYSA-N 0 0 224.691 2.031 50 0 BEAARN Cc1ccc(NCC(=O)NC2CC2)c(Cl)c1 ZINC000010223240 374283943 /nfs/dbraw/zinc/28/39/43/374283943.db2.gz KVURMXQYRNOHLM-UHFFFAOYSA-N 0 0 238.718 2.339 50 0 BEAARN O=C(N[C@@H]1CCCCC1=O)OCc1ccccc1 ZINC000086005711 182292871 /nfs/dbraw/zinc/29/28/71/182292871.db2.gz CUPVDJPKTJYHRA-GFCCVEGCSA-N 0 0 247.294 2.425 50 0 BEAARN CCCn1nccc1-c1cccc([C@H](C)O)n1 ZINC000426431175 206052112 /nfs/dbraw/zinc/05/21/12/206052112.db2.gz WTYBIUMYZHXMSY-JTQLQIEISA-N 0 0 231.299 2.408 50 0 BEAARN O=C(N[C@@H]1CCCc2occc21)c1cccnc1 ZINC000012870650 182301754 /nfs/dbraw/zinc/30/17/54/182301754.db2.gz DUVWQSXTYLZJJE-GFCCVEGCSA-N 0 0 242.278 2.482 50 0 BEAARN O=C(N[C@@H]1CCc2ccccc21)c1ccccn1 ZINC000048413047 182312300 /nfs/dbraw/zinc/31/23/00/182312300.db2.gz JUDABKBJNFUEOD-CYBMUJFWSA-N 0 0 238.290 2.499 50 0 BEAARN O=C(N[C@H]1CC[C@@H](F)C1)c1cccc(O)c1 ZINC000336432113 182339611 /nfs/dbraw/zinc/33/96/11/182339611.db2.gz PVVPYSRVMFTSNJ-ZJUUUORDSA-N 0 0 223.247 2.013 50 0 BEAARN CCCCNC(=O)c1noc(-c2ccccc2)n1 ZINC000043179064 168864928 /nfs/dbraw/zinc/86/49/28/168864928.db2.gz FHTSGFXHELYMMC-UHFFFAOYSA-N 0 0 245.282 2.267 50 0 BEAARN O=C(Nc1cc[nH]n1)Nc1ccccc1F ZINC000042414585 182350972 /nfs/dbraw/zinc/35/09/72/182350972.db2.gz NGORCYQTWAUKAQ-UHFFFAOYSA-N 0 0 220.207 2.193 50 0 BEAARN O=C(Nc1ccc(=S)[nH]n1)c1cccs1 ZINC000061966017 182352175 /nfs/dbraw/zinc/35/21/75/182352175.db2.gz WTIXVLRMPPDXIM-UHFFFAOYSA-N 0 0 237.309 2.453 50 0 BEAARN O=C(Nc1ccc(Cl)cn1)c1ccccn1 ZINC000005877069 182353762 /nfs/dbraw/zinc/35/37/62/182353762.db2.gz LPYMWTDEHFLVPW-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc(F)cc1)c1ccc(=O)oc1 ZINC000002295368 182356192 /nfs/dbraw/zinc/35/61/92/182356192.db2.gz OENFVGHDPCEJET-UHFFFAOYSA-N 0 0 233.198 2.031 50 0 BEAARN O=C(Nc1cc(F)ccc1F)[C@H]1CCCO1 ZINC000004749384 182349669 /nfs/dbraw/zinc/34/96/69/182349669.db2.gz NOJVPAALEQABFD-SNVBAGLBSA-N 0 0 227.210 2.082 50 0 BEAARN O=C(Nc1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000001052329 182349918 /nfs/dbraw/zinc/34/99/18/182349918.db2.gz NOJVPAALEQABFD-JTQLQIEISA-N 0 0 227.210 2.082 50 0 BEAARN O=C(Nc1ccc[nH]c1=O)N1CCCCCCC1 ZINC000096150452 182367160 /nfs/dbraw/zinc/36/71/60/182367160.db2.gz GHSBQXVOEMRIIO-UHFFFAOYSA-N 0 0 249.314 2.173 50 0 BEAARN O=C(Nc1ccc(O)cc1F)c1cc[nH]c1 ZINC000124565885 182361529 /nfs/dbraw/zinc/36/15/29/182361529.db2.gz YQPDNIIQYLNFDJ-UHFFFAOYSA-N 0 0 220.203 2.112 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1cnccn1 ZINC000000190500 182368586 /nfs/dbraw/zinc/36/85/86/182368586.db2.gz FRSGWRCMEPZQCU-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc2scnc2c1)[C@H]1CCCO1 ZINC000195091076 182366697 /nfs/dbraw/zinc/36/66/97/182366697.db2.gz BOXXMHOBZUGGDG-SNVBAGLBSA-N 0 0 248.307 2.414 50 0 BEAARN O=C(Nc1ccc2[nH]cnc2c1)c1cccnc1 ZINC000040266913 182366764 /nfs/dbraw/zinc/36/67/64/182366764.db2.gz GKKBMAWWJWCNRH-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1cccc(Cl)c1)c1cnsn1 ZINC000000935411 182367834 /nfs/dbraw/zinc/36/78/34/182367834.db2.gz WQDSDBWBOGFVCQ-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN O=C(Nc1ccc2[nH]cnc2c1)c1ccccn1 ZINC000040288113 182366882 /nfs/dbraw/zinc/36/68/82/182366882.db2.gz LSWAAPNFPGQRRL-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1cccc2nsnc21)C1CCC1 ZINC000015729561 182374751 /nfs/dbraw/zinc/37/47/51/182374751.db2.gz JTTAWPPMENYPAX-UHFFFAOYSA-N 0 0 233.296 2.430 50 0 BEAARN O=C(Nc1ccccc1)Nc1ncccn1 ZINC000000392369 182376220 /nfs/dbraw/zinc/37/62/20/182376220.db2.gz FGIXXUFWNVKYHA-UHFFFAOYSA-N 0 0 214.228 2.121 50 0 BEAARN O=C(Nc1ccccc1)c1cnn2c1CCCC2 ZINC000064543084 182378122 /nfs/dbraw/zinc/37/81/22/182378122.db2.gz JOYQJSIQHRRNTO-UHFFFAOYSA-N 0 0 241.294 2.472 50 0 BEAARN O=C(Nc1ccccc1F)N1CCCC1 ZINC000002889972 182379078 /nfs/dbraw/zinc/37/90/78/182379078.db2.gz RNLNCLZTCBXFNZ-UHFFFAOYSA-N 0 0 208.236 2.453 50 0 BEAARN O=C(Nc1cccc(Cn2ccnc2)c1)C1CC1 ZINC000030690083 182369486 /nfs/dbraw/zinc/36/94/86/182369486.db2.gz TZDOHDZCSHPTSU-UHFFFAOYSA-N 0 0 241.294 2.280 50 0 BEAARN O=C(Nc1cn[nH]c1)Oc1ccccc1 ZINC000035764555 182390892 /nfs/dbraw/zinc/39/08/92/182390892.db2.gz UMXACRORSCJJDF-UHFFFAOYSA-N 0 0 203.201 2.021 50 0 BEAARN O=C(Nc1cnc2ccccc2c1)[C@H]1CCCO1 ZINC000040488659 182391976 /nfs/dbraw/zinc/39/19/76/182391976.db2.gz ZMAAXGCCLARCDR-CYBMUJFWSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1ccccn1)N1CCCCC1 ZINC000013208266 182381150 /nfs/dbraw/zinc/38/11/50/182381150.db2.gz DHOSAMAUFVBGFE-UHFFFAOYSA-N 0 0 205.261 2.099 50 0 BEAARN O=C(Nc1ccccn1)[C@H]1Cc2ccccc2O1 ZINC000032843893 182382526 /nfs/dbraw/zinc/38/25/26/182382526.db2.gz ASIROXQZKHSAFK-GFCCVEGCSA-N 0 0 240.262 2.024 50 0 BEAARN O=C(Nc1cccnc1)N1CCCCCC1 ZINC000032841285 182382542 /nfs/dbraw/zinc/38/25/42/182382542.db2.gz PNPOZAYTASJKOC-UHFFFAOYSA-N 0 0 219.288 2.490 50 0 BEAARN O=C(Nc1ccccn1)c1ccc[nH]c1=S ZINC000034088044 182383353 /nfs/dbraw/zinc/38/33/53/182383353.db2.gz OYLSYRNTBGZZGY-UHFFFAOYSA-N 0 0 231.280 2.018 50 0 BEAARN O=C(Nc1ccncc1F)c1cncc(F)c1 ZINC000097032100 182387290 /nfs/dbraw/zinc/38/72/90/182387290.db2.gz TVRPPDPJYWZDNM-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1ccncc1)c1ccccc1F ZINC000000226763 182387988 /nfs/dbraw/zinc/38/79/88/182387988.db2.gz CMRRKJCQVVVOIJ-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000002625194 182398245 /nfs/dbraw/zinc/39/82/45/182398245.db2.gz MPAIHQCCOOPREO-VIFPVBQESA-N 0 0 248.307 2.414 50 0 BEAARN O=C(Nc1nccs1)c1n[nH]c2ccccc21 ZINC000009156774 182401351 /nfs/dbraw/zinc/40/13/51/182401351.db2.gz CKFZZOIPOYAUQY-UHFFFAOYSA-N 0 0 244.279 2.272 50 0 BEAARN O=C(Nc1nnc(C2CC2)s1)c1ccncc1 ZINC000003456035 182403361 /nfs/dbraw/zinc/40/33/61/182403361.db2.gz NZTFKOHUTXYYJC-UHFFFAOYSA-N 0 0 246.295 2.063 50 0 BEAARN O=C(Nc1cnccn1)c1ccc(Cl)cc1 ZINC000000092122 182394281 /nfs/dbraw/zinc/39/42/81/182394281.db2.gz LWTIAYDDQRFEMY-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cnns1)C1CCCCC1 ZINC000225495583 182395355 /nfs/dbraw/zinc/39/53/55/182395355.db2.gz MVAGJEWQPQFTOH-UHFFFAOYSA-N 0 0 211.290 2.057 50 0 BEAARN O=C(Nc1cnns1)c1cc(F)ccc1F ZINC000170603842 182395458 /nfs/dbraw/zinc/39/54/58/182395458.db2.gz PBTZFRIGXHFBBM-UHFFFAOYSA-N 0 0 241.222 2.069 50 0 BEAARN CCCCNS(=O)(=O)c1ccccc1Cl ZINC000007308670 168872537 /nfs/dbraw/zinc/87/25/37/168872537.db2.gz IJVKZMUAXDFMJL-UHFFFAOYSA-N 0 0 247.747 2.418 50 0 BEAARN O=C([O-])CCCC[NH2+]Cc1ccccc1 ZINC000003027658 182438059 /nfs/dbraw/zinc/43/80/59/182438059.db2.gz DIWLOYGUONWFJB-UHFFFAOYSA-N 0 0 207.273 2.031 50 0 BEAARN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000810224 182504823 /nfs/dbraw/zinc/50/48/23/182504823.db2.gz XPRRFTHGWKHATR-GFCCVEGCSA-N 0 0 219.284 2.298 50 0 BEAARN O=C(OCCCF)c1ccc2c(c1)COCO2 ZINC000096474920 182602658 /nfs/dbraw/zinc/60/26/58/182602658.db2.gz XTMLSSRZUFVHMN-UHFFFAOYSA-N 0 0 240.230 2.070 50 0 BEAARN O=C(OC[C@@H]1CCOC1)C1=CCCCCC1 ZINC000097164076 182603461 /nfs/dbraw/zinc/60/34/61/182603461.db2.gz AWIFFHQGTHSVDO-LLVKDONJSA-N 0 0 224.300 2.457 50 0 BEAARN O=C(c1ccncc1F)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089884888 182690668 /nfs/dbraw/zinc/69/06/68/182690668.db2.gz QHFNMLSCKTZUKM-GHMZBOCLSA-N 0 0 248.301 2.483 50 0 BEAARN CCOC(=O)Cc1csc(-c2ccncc2)n1 ZINC000004299242 170236059 /nfs/dbraw/zinc/23/60/59/170236059.db2.gz JZBJUBBYJUUKQK-UHFFFAOYSA-N 0 0 248.307 2.311 50 0 BEAARN O=C1CC[C@H](c2ccc(Br)cc2)N1 ZINC000034002667 182754025 /nfs/dbraw/zinc/75/40/25/182754025.db2.gz PFJCJXIUAVSTJB-SECBINFHSA-N 0 0 240.100 2.400 50 0 BEAARN O=C1CC[C@@H](C23CC4CC(CC(C4)C2)C3)N1 ZINC000012343435 182747299 /nfs/dbraw/zinc/74/72/99/182747299.db2.gz PAFFQNNKSSOHJU-UYIBLKNYSA-N 0 0 219.328 2.481 50 0 BEAARN Oc1csc(Nc2ccccc2Cl)n1 ZINC000012341778 182769996 /nfs/dbraw/zinc/76/99/96/182769996.db2.gz WSJNVJNVVOOKGP-UHFFFAOYSA-N 0 0 226.688 2.381 50 0 BEAARN O=C1NC2(CCC2)C(=O)N1CC1CCCCC1 ZINC000096424899 182794915 /nfs/dbraw/zinc/79/49/15/182794915.db2.gz SXVHEUKSTRSGMX-UHFFFAOYSA-N 0 0 236.315 2.041 50 0 BEAARN O=C1C[C@H](c2ccc(Br)cc2)CN1 ZINC000048981154 182784438 /nfs/dbraw/zinc/78/44/38/182784438.db2.gz JHTJSUCXKXNRAX-QMMMGPOBSA-N 0 0 240.100 2.053 50 0 BEAARN O=C1c2ccccc2[C@H](O)N1Cc1cccs1 ZINC000004108789 182847102 /nfs/dbraw/zinc/84/71/02/182847102.db2.gz OSDOXTSQSIHFHD-LBPRGKRZSA-N 0 0 245.303 2.395 50 0 BEAARN O=C1OCC[C@@H]1Sc1nc2ccccc2o1 ZINC000000617912 182830442 /nfs/dbraw/zinc/83/04/42/182830442.db2.gz CWEZJROKUANAEZ-VIFPVBQESA-N 0 0 235.264 2.235 50 0 BEAARN O=Cc1csc(-c2ccc(O)cc2)n1 ZINC000035635878 182875257 /nfs/dbraw/zinc/87/52/57/182875257.db2.gz HAXXZLBEEWCVAX-UHFFFAOYSA-N 0 0 205.238 2.328 50 0 BEAARN CCCCS(=O)(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000230241852 168925074 /nfs/dbraw/zinc/92/50/74/168925074.db2.gz XMBKAALJJLTTAQ-NWDGAFQWSA-N 0 0 245.388 2.381 50 0 BEAARN O=[S@@](CCO)[C@H]1CCc2c1cccc2Cl ZINC000097046689 182962537 /nfs/dbraw/zinc/96/25/37/182962537.db2.gz NKWTVLVMSIYANC-XHDPSFHLSA-N 0 0 244.743 2.068 50 0 BEAARN O=c1[nH]c(=S)[nH]cc1Cc1ccccc1 ZINC000017353425 182970443 /nfs/dbraw/zinc/97/04/43/182970443.db2.gz IQONBPISLRWNJP-UHFFFAOYSA-N 0 0 218.281 2.023 50 0 BEAARN O=c1c2nccnc2ncn1C1CCCCCC1 ZINC000032541263 182990755 /nfs/dbraw/zinc/99/07/55/182990755.db2.gz ZZDOLAPTIYOUHU-UHFFFAOYSA-N 0 0 244.298 2.082 50 0 BEAARN O=c1cccc(-c2cccc(-c3cc[nH]n3)c2)[nH]1 ZINC000020167101 183002671 /nfs/dbraw/zinc/00/26/71/183002671.db2.gz XTPXUYMGJUCTLT-UHFFFAOYSA-N 0 0 237.262 2.432 50 0 BEAARN O=c1[nH]c(C=Cc2ccccn2)nc2ccccc21 ZINC000013123017 183010776 /nfs/dbraw/zinc/01/07/76/183010776.db2.gz QDWRWTXJVHLZQC-CMDGGOBGSA-N 0 0 249.273 2.489 50 0 biogenic BEAARN O=c1oc(-c2ccco2)nc2ccccc21 ZINC000000150214 183011750 /nfs/dbraw/zinc/01/17/50/183011750.db2.gz UUKJKGJWLSRNNK-UHFFFAOYSA-N 0 0 213.192 2.448 50 0 BEAARN O=c1nc2n(c3ccccc13)Cc1ccccc1-2 ZINC000000519029 183011864 /nfs/dbraw/zinc/01/18/64/183011864.db2.gz XFTFEVDUFOHBTF-UHFFFAOYSA-N 0 0 234.258 2.425 50 0 biogenic BEAARN OC1CN(Cc2ccccc2OC2CCCC2)C1 ZINC000215047434 183030661 /nfs/dbraw/zinc/03/06/61/183030661.db2.gz WPRFHRPZXXIHQB-UHFFFAOYSA-N 0 0 247.338 2.185 50 0 BEAARN OC12C[C@H]3C[C@@H](C1)CC(Br)(C3)C2 ZINC000012408856 183024254 /nfs/dbraw/zinc/02/42/54/183024254.db2.gz AAQUCECNQZAARL-BQKDNTBBSA-N 0 0 231.133 2.465 50 0 BEAARN O=C1C[C@H](c2cccc(O)c2)c2c[nH]nc2N1 ZINC000020745111 183026291 /nfs/dbraw/zinc/02/62/91/183026291.db2.gz ALGCCRDGAJBDGY-SECBINFHSA-N 0 0 229.239 2.239 50 0 BEAARN OCC1(Nc2ncnc3ccsc32)CCC1 ZINC000089885398 183039862 /nfs/dbraw/zinc/03/98/62/183039862.db2.gz KORDFYLRYIYSCG-UHFFFAOYSA-N 0 0 235.312 2.018 50 0 BEAARN OCCCNc1ncnc2c3ccccc3oc21 ZINC000004476207 183059898 /nfs/dbraw/zinc/05/98/98/183059898.db2.gz PXOLQSXSWNYVLC-UHFFFAOYSA-N 0 0 243.266 2.170 50 0 BEAARN OCCCn1nc(C(F)F)cc1C(F)F ZINC000012357737 183063965 /nfs/dbraw/zinc/06/39/65/183063965.db2.gz GALCQAUCNYMUQV-UHFFFAOYSA-N 0 0 226.173 2.141 50 0 BEAARN OCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000004086129 183065239 /nfs/dbraw/zinc/06/52/39/183065239.db2.gz HZDKMZDZFLQYPA-UHFFFAOYSA-N 0 0 210.664 2.141 50 0 BEAARN OCCOc1ccccc1C(F)(F)F ZINC000035200209 183088468 /nfs/dbraw/zinc/08/84/68/183088468.db2.gz IDDALPBLIMDOHI-UHFFFAOYSA-N 0 0 206.163 2.077 50 0 BEAARN OCCc1cc(C(F)(F)F)ccc1F ZINC000039713001 183100163 /nfs/dbraw/zinc/10/01/63/183100163.db2.gz YYIXBCMBMSZIOV-UHFFFAOYSA-N 0 0 208.154 2.379 50 0 BEAARN CCCCc1ccc(Nc2cnnc(=O)[nH]2)cc1 ZINC000011991499 169022073 /nfs/dbraw/zinc/02/20/73/169022073.db2.gz KANFMHKHOZKAMU-UHFFFAOYSA-N 0 0 244.298 2.251 50 0 BEAARN CCCCN1C(=S)N=NC1c1cccnc1 ZINC000008829912 169035700 /nfs/dbraw/zinc/03/57/00/169035700.db2.gz HKFTWBTUFNVNAK-UHFFFAOYSA-N 0 0 234.328 2.429 50 0 BEAARN CCCCn1nc(C[C@@H](C)CC)nc1CCO ZINC000096142015 169037602 /nfs/dbraw/zinc/03/76/02/169037602.db2.gz HTUOTBBUQCBOSN-NSHDSACASA-N 0 0 239.363 2.202 50 0 BEAARN CCCCn1nc(C)c(Cl)c1C=O ZINC000072209432 169038521 /nfs/dbraw/zinc/03/85/21/169038521.db2.gz PLLATTBIZKSVIK-UHFFFAOYSA-N 0 0 200.669 2.458 50 0 BEAARN CCCCn1nccc1N[C@@H]1CCCOC1 ZINC000097045652 169039144 /nfs/dbraw/zinc/03/91/44/169039144.db2.gz JIGSFGDUQLUFOP-LLVKDONJSA-N 0 0 223.320 2.274 50 0 BEAARN CCCCn1nnnc1NCc1ccc(F)cc1 ZINC000006697747 169040278 /nfs/dbraw/zinc/04/02/78/169040278.db2.gz LTMSSPBVORBUQO-UHFFFAOYSA-N 0 0 249.293 2.224 50 0 BEAARN OCc1c(-c2ccccc2)nc2ccccn21 ZINC000005729087 183158792 /nfs/dbraw/zinc/15/87/92/183158792.db2.gz PIAXUROOVXTADE-UHFFFAOYSA-N 0 0 224.263 2.494 50 0 BEAARN OCc1cc(-c2ccccc2Cl)no1 ZINC000001383169 183159946 /nfs/dbraw/zinc/15/99/46/183159946.db2.gz SSRHWYXRRHPGRM-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN OCc1c(Cl)ncn1-c1ccc(F)cc1 ZINC000069949498 183160340 /nfs/dbraw/zinc/16/03/40/183160340.db2.gz PEQTYOAKPFIDAA-UHFFFAOYSA-N 0 0 226.638 2.157 50 0 BEAARN OCc1cc2ncc(Br)cc2o1 ZINC000035270589 183161200 /nfs/dbraw/zinc/16/12/00/183161200.db2.gz ZRGSQDAFELBQJZ-UHFFFAOYSA-N 0 0 228.045 2.083 50 0 BEAARN OCc1cc(F)c(Br)cc1F ZINC000070023040 183161823 /nfs/dbraw/zinc/16/18/23/183161823.db2.gz CXEWREITGADCOJ-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN OCc1ccc(OCc2cccnc2)cc1 ZINC000020031133 183166634 /nfs/dbraw/zinc/16/66/34/183166634.db2.gz GUSJGHNKAZXTSZ-UHFFFAOYSA-N 0 0 215.252 2.153 50 0 BEAARN OCc1cccc(-c2noc(-c3ccco3)n2)c1 ZINC000019741327 183167375 /nfs/dbraw/zinc/16/73/75/183167375.db2.gz PJTMJKXNMXEVIY-UHFFFAOYSA-N 0 0 242.234 2.489 50 0 BEAARN OCc1cncc(-c2ccc(F)cc2)c1 ZINC000034580005 183168956 /nfs/dbraw/zinc/16/89/56/183168956.db2.gz AGTFTHJYSZRWJK-UHFFFAOYSA-N 0 0 203.216 2.380 50 0 BEAARN OCc1ncc(C(F)(F)F)cc1Cl ZINC000016698738 183170220 /nfs/dbraw/zinc/17/02/20/183170220.db2.gz GJPVRQMKHNSMCO-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN ON1COc2ccc3ccccc3c2C1 ZINC000003177120 183171399 /nfs/dbraw/zinc/17/13/99/183171399.db2.gz HNZXWTJESCDKFM-UHFFFAOYSA-N 0 0 201.225 2.381 50 0 BEAARN OCc1ncoc1-c1cccc(Cl)c1 ZINC000038536931 183171931 /nfs/dbraw/zinc/17/19/31/183171931.db2.gz MAIWQXMACJPOBD-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN O[C@@H](CCNc1ccccc1)C(F)(F)F ZINC000004052791 183174019 /nfs/dbraw/zinc/17/40/19/183174019.db2.gz SXMZZDXUOSEQNI-VIFPVBQESA-N 0 0 219.206 2.412 50 0 BEAARN O[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000034351290 183228185 /nfs/dbraw/zinc/22/81/85/183228185.db2.gz DBDSGGHRDPUUID-GFCCVEGCSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@@]1(C(F)(F)F)CC(c2cccs2)=NO1 ZINC000000170932 183214401 /nfs/dbraw/zinc/21/44/01/183214401.db2.gz WJPBGIHUZWQXOV-ZETCQYMHSA-N 0 0 237.202 2.123 50 0 BEAARN O[C@H]1CCC[C@@H]1Nc1ccncc1Cl ZINC000097104652 183236461 /nfs/dbraw/zinc/23/64/61/183236461.db2.gz QIQBHGUBPIHVQU-UWVGGRQHSA-N 0 0 212.680 2.060 50 0 BEAARN Oc1ccc(F)c(OCC(F)(F)F)c1 ZINC000261494001 183273468 /nfs/dbraw/zinc/27/34/68/183273468.db2.gz NWGIJBBLTUZVKE-UHFFFAOYSA-N 0 0 210.126 2.472 50 0 BEAARN Oc1ccc(OCC(F)(F)F)c(F)c1 ZINC000148462941 183277480 /nfs/dbraw/zinc/27/74/80/183277480.db2.gz HYMFAFNBMOGJMY-UHFFFAOYSA-N 0 0 210.126 2.472 50 0 BEAARN Oc1cc2n[nH]cc2c(Br)c1 ZINC000014983069 183257363 /nfs/dbraw/zinc/25/73/63/183257363.db2.gz AIEDVJFAFWXQQN-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN CCCN(CCC)C(=O)c1cccc(C(N)=O)c1 ZINC000023098675 169146178 /nfs/dbraw/zinc/14/61/78/169146178.db2.gz AXBVNXPKGSLAIV-UHFFFAOYSA-N 0 0 248.326 2.048 50 0 BEAARN Oc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012505077 183288136 /nfs/dbraw/zinc/28/81/36/183288136.db2.gz MDVXGUQWECPHRT-UHFFFAOYSA-N 0 0 229.283 2.377 50 0 BEAARN Oc1cccc(-c2nnc3ccccn32)c1 ZINC000079124153 183288478 /nfs/dbraw/zinc/28/84/78/183288478.db2.gz DDKMEZZKGQJPOZ-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN O=c1[nH][nH]c2cc(Br)ccc12 ZINC000014983467 183307283 /nfs/dbraw/zinc/30/72/83/183307283.db2.gz JUWHHOSUZDEEQQ-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN CCCN(CCO)Cc1c(F)cccc1F ZINC000002489801 169165944 /nfs/dbraw/zinc/16/59/44/169165944.db2.gz OYTSGADEQWLQNM-UHFFFAOYSA-N 0 0 229.270 2.169 50 0 BEAARN Oc1ccccc1OCc1cscn1 ZINC000036896810 183304273 /nfs/dbraw/zinc/30/42/73/183304273.db2.gz YMTGDPJASBDTNI-UHFFFAOYSA-N 0 0 207.254 2.428 50 0 BEAARN c1c[nH]c(COCc2nc(C3CCCC3)no2)n1 ZINC000096494658 183326949 /nfs/dbraw/zinc/32/69/49/183326949.db2.gz VZDUXDRVSNGLDS-UHFFFAOYSA-N 0 0 248.286 2.167 50 0 BEAARN S=C(NCc1ccncc1)NC1CCCCC1 ZINC000000372119 183311619 /nfs/dbraw/zinc/31/16/19/183311619.db2.gz ACLJMUOWEWLOJO-UHFFFAOYSA-N 0 0 249.383 2.378 50 0 BEAARN S=C1N[C@H]2c3ccccc3O[C@@]3(CCC[C@@H]23)N1 ZINC000226931440 183312126 /nfs/dbraw/zinc/31/21/26/183312126.db2.gz YXZRFJLFCAQZSY-XHVZSJERSA-N 0 0 246.335 2.094 50 0 BEAARN S=C(c1ccc(Cl)cc1)N1CCOCC1 ZINC000000050736 183312656 /nfs/dbraw/zinc/31/26/56/183312656.db2.gz QQAQCKDPIMFFLI-UHFFFAOYSA-N 0 0 241.743 2.348 50 0 BEAARN CCCNC(=O)Cn1cc(-c2ccccc2)cn1 ZINC000065592714 169233694 /nfs/dbraw/zinc/23/36/94/169233694.db2.gz CQOICDOKSMMNRE-UHFFFAOYSA-N 0 0 243.310 2.076 50 0 BEAARN CCCNC(=O)c1noc2c1CCCCC2 ZINC000020595248 169254693 /nfs/dbraw/zinc/25/46/93/169254693.db2.gz IJXAJLKIMXERDH-UHFFFAOYSA-N 0 0 222.288 2.083 50 0 BEAARN c1ccc(-c2nsc(N3CCOCC3)n2)cc1 ZINC000000074707 183385580 /nfs/dbraw/zinc/38/55/80/183385580.db2.gz NJIORIRVDIQMED-UHFFFAOYSA-N 0 0 247.323 2.042 50 0 BEAARN c1[nH]nc2cc(C3CCOCC3)ccc12 ZINC000002526927 183376056 /nfs/dbraw/zinc/37/60/56/183376056.db2.gz NTJPVVKEZMOHNU-UHFFFAOYSA-N 0 0 202.257 2.457 50 0 BEAARN CCCNC(=O)Nc1cccc(OC)c1 ZINC000002171140 169239901 /nfs/dbraw/zinc/23/99/01/169239901.db2.gz SYNBDVICYHYWCJ-UHFFFAOYSA-N 0 0 208.261 2.227 50 0 BEAARN CCCNC(=O)Nc1cccc(COC)c1 ZINC000058059034 169239924 /nfs/dbraw/zinc/23/99/24/169239924.db2.gz BWKHPYQOJRKDIB-UHFFFAOYSA-N 0 0 222.288 2.365 50 0 BEAARN CCCNC(=O)Nc1ccc(F)c(F)c1 ZINC000006730088 169240419 /nfs/dbraw/zinc/24/04/19/169240419.db2.gz PVKKTYDIIBPLAC-UHFFFAOYSA-N 0 0 214.215 2.496 50 0 BEAARN CCCNC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000014399716 169241970 /nfs/dbraw/zinc/24/19/70/169241970.db2.gz CTNKPOVUDWIDCA-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN CCCNC(=O)[C@@H]1Cc2ccccc2S1 ZINC000032878774 169244388 /nfs/dbraw/zinc/24/43/88/169244388.db2.gz XFCYHXVNWKPPIV-NSHDSACASA-N 0 0 221.325 2.230 50 0 BEAARN c1nn2cc(-c3ccccc3)nc2s1 ZINC000000392291 183381272 /nfs/dbraw/zinc/38/12/72/183381272.db2.gz GFPSTSCYNCOYTN-UHFFFAOYSA-N 0 0 201.254 2.458 50 0 BEAARN c1ccc(-c2nc3ccccc3c3nnnn32)cc1 ZINC000004006144 183383889 /nfs/dbraw/zinc/38/38/89/183383889.db2.gz VYTGWCFBVTULFJ-UHFFFAOYSA-N 0 0 247.261 2.340 50 0 BEAARN c1ccc(-c2noc(-c3cnccn3)n2)cc1 ZINC000009476728 183384258 /nfs/dbraw/zinc/38/42/58/183384258.db2.gz LBTQMMSMGPEAQF-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN c1ccc(-c2noc(CN3CCCCC3)n2)nc1 ZINC000020668487 183384441 /nfs/dbraw/zinc/38/44/41/183384441.db2.gz VNJGVKRYZZNYDT-UHFFFAOYSA-N 0 0 244.298 2.118 50 0 BEAARN c1ccc(-c2noc(NC[C@H]3CCCO3)n2)cc1 ZINC000035538062 183384879 /nfs/dbraw/zinc/38/48/79/183384879.db2.gz KQLUUAJTIZKLAB-LLVKDONJSA-N 0 0 245.282 2.328 50 0 BEAARN CCCNC(=O)c1ccc(-n2ccnc2)cc1 ZINC000024049728 169250224 /nfs/dbraw/zinc/25/02/24/169250224.db2.gz UMAFZXWKAYSKCN-UHFFFAOYSA-N 0 0 229.283 2.012 50 0 BEAARN CCCNC(=O)c1ccc(NC(=O)OC)cc1 ZINC000002845482 169251372 /nfs/dbraw/zinc/25/13/72/169251372.db2.gz OBBYLFYRSPMGJT-UHFFFAOYSA-N 0 0 236.271 2.005 50 0 BEAARN CCCNC(=O)c1ccc(Br)o1 ZINC000006043313 169251629 /nfs/dbraw/zinc/25/16/29/169251629.db2.gz NYRGYNRETDYFOW-UHFFFAOYSA-N 0 0 232.077 2.182 50 0 BEAARN c1ccc(C2=NON3O[C@]23c2ccccc2)cc1 ZINC000068677282 183389045 /nfs/dbraw/zinc/38/90/45/183389045.db2.gz LHCMTKFBKBFZBQ-IURRXHLWSA-N 0 0 238.246 2.436 50 0 BEAARN c1ccc(C2=NON3O[C@@]23c2ccccc2)cc1 ZINC000068677283 183389468 /nfs/dbraw/zinc/38/94/68/183389468.db2.gz LHCMTKFBKBFZBQ-LBAUFKAWSA-N 0 0 238.246 2.436 50 0 BEAARN c1cn2c(n1)CN(CCCc1ccccc1)CC2 ZINC000097201240 183392375 /nfs/dbraw/zinc/39/23/75/183392375.db2.gz LRILHVBYCRREAU-UHFFFAOYSA-N 0 0 241.338 2.332 50 0 BEAARN c1[nH]nnc1SCCc1ccccc1 ZINC000097012132 183394599 /nfs/dbraw/zinc/39/45/99/183394599.db2.gz VBWBLNPQHDWYMJ-UHFFFAOYSA-N 0 0 205.286 2.140 50 0 BEAARN CCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000006079081 169272696 /nfs/dbraw/zinc/27/26/96/169272696.db2.gz WDAAAUORLGFQKQ-UHFFFAOYSA-N 0 0 233.720 2.028 50 0 BEAARN c1ccc(CSc2ncccn2)nc1 ZINC000006277108 183409072 /nfs/dbraw/zinc/40/90/72/183409072.db2.gz OARMSWNYNKYQCE-UHFFFAOYSA-N 0 0 203.270 2.164 50 0 BEAARN c1ccc(CSc2nc3ncccn3n2)cc1 ZINC000002732227 183409479 /nfs/dbraw/zinc/40/94/79/183409479.db2.gz QBNAOWLPAXLFLO-UHFFFAOYSA-N 0 0 242.307 2.417 50 0 BEAARN c1nnc(CCNc2ccccc2)n1C1CC1 ZINC000054498309 183415688 /nfs/dbraw/zinc/41/56/88/183415688.db2.gz BNHHQQIMXAUGPA-UHFFFAOYSA-N 0 0 228.299 2.268 50 0 BEAARN CCCOC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000008344783 169300280 /nfs/dbraw/zinc/30/02/80/169300280.db2.gz TWBIHXKBKQFLMN-UHFFFAOYSA-N 0 0 223.272 2.401 50 0 BEAARN CCCOC(=O)c1ccc(Cl)c(N)c1 ZINC000037022108 169301098 /nfs/dbraw/zinc/30/10/98/169301098.db2.gz ZLJVVDUAIWCUKZ-UHFFFAOYSA-N 0 0 213.664 2.489 50 0 BEAARN CCCOC(=O)c1n[nH]c2ccccc21 ZINC000016183272 169301284 /nfs/dbraw/zinc/30/12/84/169301284.db2.gz VGWNFZLTOOITMB-UHFFFAOYSA-N 0 0 204.229 2.130 50 0 BEAARN CCCOCC1CN(C(=O)OC(C)(C)C)C1 ZINC000085477170 169308721 /nfs/dbraw/zinc/30/87/21/169308721.db2.gz GCLSVSPWOKBAEQ-UHFFFAOYSA-N 0 0 229.320 2.280 50 0 BEAARN CCCO[C@H](C)c1nc(-c2ccc(C)nn2)no1 ZINC000095503173 169311836 /nfs/dbraw/zinc/31/18/36/169311836.db2.gz LENXMIPCTOTJEB-SECBINFHSA-N 0 0 248.286 2.323 50 0 BEAARN CCCNc1nc2c(cnn2C)c(NCCC)n1 ZINC000021637338 169295865 /nfs/dbraw/zinc/29/58/65/169295865.db2.gz PURFLSMYEXDNDR-UHFFFAOYSA-N 0 0 248.334 2.007 50 0 BEAARN CCCSc1nc(C)cc(C)c1C(N)=O ZINC000004133362 169342161 /nfs/dbraw/zinc/34/21/61/169342161.db2.gz FBZDTHNFCBNMRL-UHFFFAOYSA-N 0 0 224.329 2.299 50 0 BEAARN CCC[C@@H](C(=O)NCCOC)c1ccccc1 ZINC000046463607 169344016 /nfs/dbraw/zinc/34/40/16/169344016.db2.gz OVZUPYBHDWFVNN-CYBMUJFWSA-N 0 0 235.327 2.333 50 0 BEAARN CCCS(=O)(=O)N[C@H](C)c1cccs1 ZINC000048955636 169333562 /nfs/dbraw/zinc/33/35/62/169333562.db2.gz NQCIZKFIIHGZLG-MRVPVSSYSA-N 0 0 233.358 2.139 50 0 BEAARN c1cn(-c2cc(NC3CCCC3)ncn2)cn1 ZINC000064543355 183466238 /nfs/dbraw/zinc/46/62/38/183466238.db2.gz QREOAMGRFSLDAK-UHFFFAOYSA-N 0 0 229.287 2.017 50 0 BEAARN CCC[C@@H]1OC(=O)C(C)(C)C(=O)[C@@H]1CC ZINC000002475792 169444012 /nfs/dbraw/zinc/44/40/12/169444012.db2.gz BSGWAKRNHQWCMF-BDAKNGLRSA-N 0 0 212.289 2.333 50 0 BEAARN CCC[C@@H]1OC(=O)C(C)(C)C(=O)[C@H]1CC ZINC000002475795 169444465 /nfs/dbraw/zinc/44/44/65/169444465.db2.gz BSGWAKRNHQWCMF-IUCAKERBSA-N 0 0 212.289 2.333 50 0 BEAARN CCOCCC(=O)N1c2ccccc2OC[C@@H]1C ZINC000072532191 535453675 /nfs/dbraw/zinc/45/36/75/535453675.db2.gz BMBKMIPPLJFUPR-NSHDSACASA-N 0 0 249.310 2.227 50 0 BEAARN CCCc1cc(=O)n2c3ccccc3nc2[nH]1 ZINC000004036842 169563047 /nfs/dbraw/zinc/56/30/47/169563047.db2.gz WGMXAVYQOAAPEU-UHFFFAOYSA-N 0 0 227.267 2.128 50 0 BEAARN CCCc1nnc(Br)s1 ZINC000071051412 169597822 /nfs/dbraw/zinc/59/78/22/169597822.db2.gz AUCBBLFWWWNEJG-UHFFFAOYSA-N 0 0 207.096 2.253 50 0 BEAARN CCCN1C(=S)N=NC1c1ccncc1 ZINC000000555614 169614216 /nfs/dbraw/zinc/61/42/16/169614216.db2.gz LZRLGHCSTYKCRQ-UHFFFAOYSA-N 0 0 220.301 2.039 50 0 BEAARN CCCn1nnnc1NCc1ccc(CC)cc1 ZINC000004488498 169628962 /nfs/dbraw/zinc/62/89/62/169628962.db2.gz ULUCZXYXIQZHHT-UHFFFAOYSA-N 0 0 245.330 2.258 50 0 BEAARN Brc1cccc(N2CCOCC2)c1 ZINC000002526755 532967833 /nfs/dbraw/zinc/96/78/33/532967833.db2.gz RQMIVKDXRGZOBQ-UHFFFAOYSA-N 0 0 242.116 2.286 50 0 BEAARN C[C@@H]1Oc2ccccc2O[C@@]1(O)c1ccccn1 ZINC000000041335 383819830 /nfs/dbraw/zinc/81/98/30/383819830.db2.gz AUKQTOHWBPYLGE-IINYFYTJSA-N 0 0 243.262 2.087 50 0 BEAARN O=Cc1coc2cc(Cl)ccc2c1=O ZINC000000057791 383820693 /nfs/dbraw/zinc/82/06/93/383820693.db2.gz VGRJRNDUTLCELV-UHFFFAOYSA-N 0 0 208.600 2.259 50 0 BEAARN COc1cc(Br)c(C=O)cc1OC ZINC000000056468 383821627 /nfs/dbraw/zinc/82/16/27/383821627.db2.gz UQQROBHFUDBOOK-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN O=C(Nc1nncs1)[C@H]1C[C@H]1c1ccccc1 ZINC000000068280 383821814 /nfs/dbraw/zinc/82/18/14/383821814.db2.gz WXAMAHSYLBWLBH-UWVGGRQHSA-N 0 0 245.307 2.280 50 0 BEAARN COC(=O)c1ccc(Br)cc1 ZINC000000055169 383822141 /nfs/dbraw/zinc/82/21/41/383822141.db2.gz CZNGTXVOZOWWKM-UHFFFAOYSA-N 0 0 215.046 2.236 50 0 in-vitro BEAARN CC(C)(C)[C@@]1(C)O[C@](O)(C(F)(F)F)CC1=O ZINC000000078831 383824239 /nfs/dbraw/zinc/82/42/39/383824239.db2.gz QSVUWDXQLMDNME-IUCAKERBSA-N 0 0 240.221 2.032 50 0 BEAARN Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000000090013 383824766 /nfs/dbraw/zinc/82/47/66/383824766.db2.gz QBDAIMKWEJQBHA-UHFFFAOYSA-N 0 0 229.070 2.184 50 0 BEAARN Cc1n[nH]c(C)c1Cc1ccc(O)cc1 ZINC000000168496 383838333 /nfs/dbraw/zinc/83/83/33/383838333.db2.gz WCAVDWUYRBVRMN-UHFFFAOYSA-N 0 0 202.257 2.323 50 0 BEAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000000173687 383838578 /nfs/dbraw/zinc/83/85/78/383838578.db2.gz NYEPSLKMENGNDO-UHFFFAOYSA-N 0 0 227.329 2.072 50 0 BEAARN O=S(=O)(NCc1ccccc1)c1ccccc1 ZINC000000187007 383842226 /nfs/dbraw/zinc/84/22/26/383842226.db2.gz GRTPAOVVVLZLDP-UHFFFAOYSA-N 0 0 247.319 2.165 50 0 BEAARN CCc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)s1 ZINC000000205120 383842793 /nfs/dbraw/zinc/84/27/93/383842793.db2.gz BFIUXTYFWMAWJJ-APPZFPTMSA-N 0 0 243.353 2.099 50 0 BEAARN CC(=O)c1ccc(Br)c(N)c1 ZINC000000225410 383844050 /nfs/dbraw/zinc/84/40/50/383844050.db2.gz HYRBHUHCBGRDHI-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN Cc1noc(-c2ccccc2NC(=O)C2CC2)n1 ZINC000035229486 383845229 /nfs/dbraw/zinc/84/52/29/383845229.db2.gz HSCJGGNXMYVLAA-UHFFFAOYSA-N 0 0 243.266 2.394 50 0 BEAARN CCc1ccc(NC(=O)CC(C)=O)cc1 ZINC000000225841 383845455 /nfs/dbraw/zinc/84/54/55/383845455.db2.gz YSUAIVVYFQPYAX-UHFFFAOYSA-N 0 0 205.257 2.167 50 0 BEAARN O=C([O-])C[NH2+]Cc1cccc(Cl)c1Cl ZINC000035287287 383846976 /nfs/dbraw/zinc/84/69/76/383846976.db2.gz KLXSCXIBJTVURN-UHFFFAOYSA-N 0 0 234.082 2.168 50 0 BEAARN C[C@H](NS(C)(=O)=O)c1cccc2ccccc21 ZINC000048331654 383847538 /nfs/dbraw/zinc/84/75/38/383847538.db2.gz KGELUNWPWFIDQZ-JTQLQIEISA-N 0 0 249.335 2.450 50 0 BEAARN CC(=O)Nc1nnc(COc2ccccc2)s1 ZINC000000322331 383853306 /nfs/dbraw/zinc/85/33/06/383853306.db2.gz PFLMRIOEDUBSBH-UHFFFAOYSA-N 0 0 249.295 2.076 50 0 BEAARN CC1=NN(C(=S)c2ccccc2)[C@@](C)(O)C1 ZINC000000302952 383854062 /nfs/dbraw/zinc/85/40/62/383854062.db2.gz LTTLECARTGXYAT-LBPRGKRZSA-N 0 0 234.324 2.152 50 0 BEAARN Cc1ccc(C(=O)n2nnc3ccccc32)cc1 ZINC000000347286 383855325 /nfs/dbraw/zinc/85/53/25/383855325.db2.gz YOYAUIFNAMODDP-UHFFFAOYSA-N 0 0 237.262 2.428 50 0 in-vitro BEAARN CC(C)(C)OC(=O)N1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC000066338922 383858390 /nfs/dbraw/zinc/85/83/90/383858390.db2.gz SGPWUVURFSJYQO-ZJUUUORDSA-N 0 0 239.315 2.223 50 0 BEAARN CC(C)CCNS(=O)(=O)c1ccccc1 ZINC000000362720 383859515 /nfs/dbraw/zinc/85/95/15/383859515.db2.gz MHPUMJGHGCVYGF-UHFFFAOYSA-N 0 0 227.329 2.011 50 0 BEAARN COC(=O)[C@]1(C)CCc2cc(OC)ccc2C1=O ZINC000000384043 383861932 /nfs/dbraw/zinc/86/19/32/383861932.db2.gz FOZAWFOWYOKRCG-CQSZACIVSA-N 0 0 248.278 2.003 50 0 BEAARN CC(C)N(C(=O)c1ccncc1)C(C)C ZINC000000394071 383864002 /nfs/dbraw/zinc/86/40/02/383864002.db2.gz HLRSGDOBQLTYNO-UHFFFAOYSA-N 0 0 206.289 2.341 50 0 BEAARN CCOc1ccccc1NC(=O)CN1CCCC1 ZINC000000394451 383864563 /nfs/dbraw/zinc/86/45/63/383864563.db2.gz XQGLKBHFKQSBLP-UHFFFAOYSA-N 0 0 248.326 2.120 50 0 BEAARN C=CS(=O)(=O)c1cccc(Br)c1 ZINC000000409109 383866005 /nfs/dbraw/zinc/86/60/05/383866005.db2.gz OLIANFUVVGMTDW-UHFFFAOYSA-N 0 0 247.113 2.366 50 0 BEAARN COc1ccc(CCNC(=O)C(C)C)cc1 ZINC000000458398 383868519 /nfs/dbraw/zinc/86/85/19/383868519.db2.gz IXVODZJVFMTQPV-UHFFFAOYSA-N 0 0 221.300 2.010 50 0 BEAARN COC(=O)c1cc2ccccc2c(C=O)c1O ZINC000000439903 383869454 /nfs/dbraw/zinc/86/94/54/383869454.db2.gz ARFUXYZIGVDKTR-UHFFFAOYSA-N 0 0 230.219 2.145 50 0 BEAARN Cc1nn(Cc2ccccc2)c(C)c1C=O ZINC000000586738 383877467 /nfs/dbraw/zinc/87/74/67/383877467.db2.gz KQZFABYWVRTOFK-UHFFFAOYSA-N 0 0 214.268 2.361 50 0 BEAARN CC(=O)NC(=S)Nc1ccc(C)cc1C ZINC000000615318 383877860 /nfs/dbraw/zinc/87/78/60/383877860.db2.gz UCOVUEHFRSWNPW-UHFFFAOYSA-N 0 0 222.313 2.136 50 0 BEAARN CSC1=NN[C@@H](c2ccccn2)S1 ZINC000000127334 383830733 /nfs/dbraw/zinc/83/07/33/383830733.db2.gz COBKEFOWTCEAKB-SSDOTTSWSA-N 0 0 211.315 2.051 50 0 BEAARN C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000117699 383830916 /nfs/dbraw/zinc/83/09/16/383830916.db2.gz VKVCMTXNNRZRHR-KOLCDFICSA-N 0 0 214.272 2.072 50 0 BEAARN Cc1ccc(OCC(=O)NC2CCCC2)cc1 ZINC000000146553 383833457 /nfs/dbraw/zinc/83/34/57/383833457.db2.gz JNCZYDRKOARPKS-UHFFFAOYSA-N 0 0 233.311 2.433 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cnsn1 ZINC000000151305 383833520 /nfs/dbraw/zinc/83/35/20/383833520.db2.gz NOPFECZNCQVMPR-MRVPVSSYSA-N 0 0 245.307 2.130 50 0 BEAARN FC(F)(F)c1cccc(N2CCNC2=S)c1 ZINC000000150213 383833588 /nfs/dbraw/zinc/83/35/88/383833588.db2.gz HLYFTWKTMSGCAF-UHFFFAOYSA-N 0 0 246.257 2.400 50 0 BEAARN CC(=O)Oc1ccc(Br)cc1 ZINC000001596299 383910505 /nfs/dbraw/zinc/91/05/05/383910505.db2.gz XEXHCQJRVMVJMY-UHFFFAOYSA-N 0 0 215.046 2.374 50 0 in-vitro BEAARN CCCCN1C(=O)c2ccccc2C1=O ZINC000001666841 383918420 /nfs/dbraw/zinc/91/84/20/383918420.db2.gz DLKDEVCJRCPTLN-UHFFFAOYSA-N 0 0 203.241 2.083 50 0 BEAARN C[C@@H](NC(=O)c1ccncc1)C(C)(C)C ZINC000001056488 383888810 /nfs/dbraw/zinc/88/88/10/383888810.db2.gz SCZUAQHOQOQNFN-SECBINFHSA-N 0 0 206.289 2.246 50 0 BEAARN O=C(O[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000071883886 383891120 /nfs/dbraw/zinc/89/11/20/383891120.db2.gz DHJDUNRDTGSXLY-SNVBAGLBSA-N 0 0 226.659 2.286 50 0 BEAARN CC(=O)c1cnc2sc3ccccc3n2c1=O ZINC000001395751 383896341 /nfs/dbraw/zinc/89/63/41/383896341.db2.gz JSJNMYNFUZVJQQ-UHFFFAOYSA-N 0 0 244.275 2.112 50 0 BEAARN COC(=O)/C=C/c1cnc2ccccc2c1 ZINC000001406424 383896675 /nfs/dbraw/zinc/89/66/75/383896675.db2.gz GVXTZYRMZZIIKT-VOTSOKGWSA-N 0 0 213.236 2.421 50 0 BEAARN COc1cc(OC)cc(-n2cccc2)c1 ZINC000001753166 383933878 /nfs/dbraw/zinc/93/38/78/383933878.db2.gz LDOKAWAMZKTGRP-UHFFFAOYSA-N 0 0 203.241 2.495 50 0 BEAARN C[C@H](NC(=S)N(C)C)c1ccccc1 ZINC000001410949 383898921 /nfs/dbraw/zinc/89/89/21/383898921.db2.gz LHHDYYXEQTZEMF-VIFPVBQESA-N 0 0 208.330 2.184 50 0 BEAARN CCN(CC)c1ccc2c(CO)cc(=O)oc2c1 ZINC000002573855 383978557 /nfs/dbraw/zinc/97/85/57/383978557.db2.gz NMZSXNOCNJMJQT-UHFFFAOYSA-N 0 0 247.294 2.132 50 0 BEAARN CC1(C)COC(=O)[C@@H]1OCc1ccccc1 ZINC000002570776 383978706 /nfs/dbraw/zinc/97/87/06/383978706.db2.gz VHSFUNYRPRTDAA-NSHDSACASA-N 0 0 220.268 2.155 50 0 BEAARN O=C(c1cnccn1)N1CCC2(C1)CCCCC2 ZINC000089884818 384002242 /nfs/dbraw/zinc/00/22/42/384002242.db2.gz ANLSFDUMUIRJMP-UHFFFAOYSA-N 0 0 245.326 2.273 50 0 BEAARN Cc1cnn(Cc2ccn(C(C)C)n2)c1 ZINC000089702520 383987648 /nfs/dbraw/zinc/98/76/48/383987648.db2.gz QWRDXDVAZQVNGR-UHFFFAOYSA-N 0 0 204.277 2.017 50 0 BEAARN CO[C@H](C)c1nncn1-c1cccc(C(C)=O)c1 ZINC000067673167 383937384 /nfs/dbraw/zinc/93/73/84/383937384.db2.gz YIEMYKQRXBIKCB-SNVBAGLBSA-N 0 0 245.282 2.177 50 0 BEAARN c1cnn(-c2ccc(-c3cncnc3)cc2)c1 ZINC000067726009 383939619 /nfs/dbraw/zinc/93/96/19/383939619.db2.gz HWTKQZATMMZBBG-UHFFFAOYSA-N 0 0 222.251 2.329 50 0 BEAARN O=C(c1ccc2sccc2c1)N1CCOCC1 ZINC000089195335 383941206 /nfs/dbraw/zinc/94/12/06/383941206.db2.gz VMXJXGSPJRNMQX-UHFFFAOYSA-N 0 0 247.319 2.374 50 0 BEAARN CCN(CC)[P@@]1(=O)OC(C)(C)C[C@@]1(C)O ZINC000000231787 383952113 /nfs/dbraw/zinc/95/21/13/383952113.db2.gz REQUQJQPNHWTGW-BONVTDFDSA-N 0 0 235.264 2.429 50 0 BEAARN CCOC(=O)CCCCCC(=O)C1CC1 ZINC000002243661 383956084 /nfs/dbraw/zinc/95/60/84/383956084.db2.gz HUTVQPCWDIQYRZ-UHFFFAOYSA-N 0 0 212.289 2.479 50 0 BEAARN Cc1cc(C(N)=O)cc(C(F)(F)F)c1 ZINC000002382162 383959719 /nfs/dbraw/zinc/95/97/19/383959719.db2.gz MODXUPCJDALZQM-UHFFFAOYSA-N 0 0 203.163 2.113 50 0 BEAARN Cc1cc(I)cc(F)n1 ZINC000002384111 383961387 /nfs/dbraw/zinc/96/13/87/383961387.db2.gz LJTFIDJMXXZXPN-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 BEAARN c1cn(CCCOc2ccccc2)cn1 ZINC000002496755 383967487 /nfs/dbraw/zinc/96/74/87/383967487.db2.gz SZQUYCHMYGBJGI-UHFFFAOYSA-N 0 0 202.257 2.352 50 0 BEAARN Cc1ccc(S(C)(=O)=O)cc1Cl ZINC000002513911 383969762 /nfs/dbraw/zinc/96/97/62/383969762.db2.gz YHIYSPGAOWANSA-UHFFFAOYSA-N 0 0 204.678 2.052 50 0 BEAARN Cn1cc(C(=O)C(C)(C)O)c2ccccc21 ZINC000071773220 384001416 /nfs/dbraw/zinc/00/14/16/384001416.db2.gz JPEWBUOILAIRBM-UHFFFAOYSA-N 0 0 217.268 2.132 50 0 BEAARN Nc1nn(COc2ccccc2F)cc1Cl ZINC000002534933 383971275 /nfs/dbraw/zinc/97/12/75/383971275.db2.gz ULHCANIKGDFDFW-UHFFFAOYSA-N 0 0 241.653 2.294 50 0 BEAARN Cc1[nH]ccc1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000089536730 383976425 /nfs/dbraw/zinc/97/64/25/383976425.db2.gz PLPWAAHGWYBNPK-QWRGUYRKSA-N 0 0 218.300 2.195 50 0 BEAARN Cc1c(Cl)cnn1Cc1noc(C2CC2)n1 ZINC000089544849 383976521 /nfs/dbraw/zinc/97/65/21/383976521.db2.gz XOFKQQMEGFXXCL-UHFFFAOYSA-N 0 0 238.678 2.154 50 0 BEAARN C/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000002562269 383976897 /nfs/dbraw/zinc/97/68/97/383976897.db2.gz UTZAFVPPWUIPBH-QSLRECBCSA-N 0 0 245.278 2.153 50 0 BEAARN Nc1nnc(CSc2ccccc2)s1 ZINC000003716265 384025581 /nfs/dbraw/zinc/02/55/81/384025581.db2.gz VRWRAXQYZVENLT-UHFFFAOYSA-N 0 0 223.326 2.413 50 0 BEAARN Cc1cc(N)n(-c2cc(C)cc(C)c2)n1 ZINC000003300000 384005291 /nfs/dbraw/zinc/00/52/91/384005291.db2.gz ZKWCQOGKTAHXKC-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN O[C@H]1C[C@@H](COc2c(F)cccc2F)C1 ZINC000335008474 384010330 /nfs/dbraw/zinc/01/03/30/384010330.db2.gz USWWSOYNUMOOQV-OCAPTIKFSA-N 0 0 214.211 2.115 50 0 BEAARN O=C(C(F)(F)Cl)C(F)(Cl)Cl ZINC000004290129 384053543 /nfs/dbraw/zinc/05/35/43/384053543.db2.gz QCVAFEQJWDOJLG-UHFFFAOYSA-N 0 0 215.385 2.488 50 0 BEAARN O=Cc1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000004237739 384050079 /nfs/dbraw/zinc/05/00/79/384050079.db2.gz LGRBLPULEFUFEN-UHFFFAOYSA-N 0 0 241.225 2.348 50 0 BEAARN O=Cc1sc(=O)n(-c2ccccc2)c1Cl ZINC000003866302 384030988 /nfs/dbraw/zinc/03/09/88/384030988.db2.gz MTVFSKBKWKCAIP-UHFFFAOYSA-N 0 0 239.683 2.365 50 0 BEAARN Cc1ccc(C)c(N2CN=NC2=S)c1 ZINC000003888198 384033283 /nfs/dbraw/zinc/03/32/83/384033283.db2.gz BWUMYJYNUHZELL-UHFFFAOYSA-N 0 0 205.286 2.173 50 0 BEAARN C[C@H]1[C@H]2CC[C@]1(c1ccccc1)C(=O)O2 ZINC000004023529 384036084 /nfs/dbraw/zinc/03/60/84/384036084.db2.gz LNMNSKLQCMUAGQ-NDMJEZRESA-N 0 0 202.253 2.280 50 0 BEAARN C[C@]12CCCC[C@@]13NC(=O)CN3c1ccccc12 ZINC000003999026 384036745 /nfs/dbraw/zinc/03/67/45/384036745.db2.gz BNTKETXJVKCBBV-CABCVRRESA-N 0 0 242.322 2.164 50 0 biogenic BEAARN CC(=O)Oc1cccc(C(=O)NC2CCCC2)c1 ZINC000004842431 384083203 /nfs/dbraw/zinc/08/32/03/384083203.db2.gz OGWBRHPRMZCRIK-UHFFFAOYSA-N 0 0 247.294 2.284 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1O ZINC000038417720 384083606 /nfs/dbraw/zinc/08/36/06/384083606.db2.gz FXVLUNMZSAJYNE-UWVGGRQHSA-N 0 0 229.320 2.205 50 0 BEAARN CSCCCN1CCC[C@@H]1c1noc(C)n1 ZINC000076047171 384057013 /nfs/dbraw/zinc/05/70/13/384057013.db2.gz FFOQFAGJABFGCT-SNVBAGLBSA-N 0 0 241.360 2.268 50 0 BEAARN CC(C)(C)c1cc(C(F)(F)F)n2ncnc2n1 ZINC000004321009 384057398 /nfs/dbraw/zinc/05/73/98/384057398.db2.gz ZBYAPNVRRLJVKB-UHFFFAOYSA-N 0 0 244.220 2.441 50 0 BEAARN Nc1ncccc1C(=O)c1ccc(F)cc1 ZINC000069844526 384065868 /nfs/dbraw/zinc/06/58/68/384065868.db2.gz JNDCNNCJGFPSJF-UHFFFAOYSA-N 0 0 216.215 2.034 50 0 BEAARN CCCCN1c2ccccc2N2CC(=O)N=C12 ZINC000004535751 384066012 /nfs/dbraw/zinc/06/60/12/384066012.db2.gz XQPYZTICEMMAIH-UHFFFAOYSA-N 0 0 229.283 2.009 50 0 BEAARN O=C([O-])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004943278 384092184 /nfs/dbraw/zinc/09/21/84/384092184.db2.gz HJVANSUYXOOKQA-UHFFFAOYSA-N 0 0 233.311 2.026 50 0 BEAARN Cc1cc(Br)cc(CO)c1 ZINC000090727529 384070034 /nfs/dbraw/zinc/07/00/34/384070034.db2.gz BDWFMACVHHSBRM-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN OCc1ccccc1CO[C@@H]1CCCCO1 ZINC000090728158 384071185 /nfs/dbraw/zinc/07/11/85/384071185.db2.gz VOCBXMPWJAQCQY-CYBMUJFWSA-N 0 0 222.284 2.222 50 0 BEAARN CC(=O)CC(=O)NC1CCCCCCC1 ZINC000004694306 384075421 /nfs/dbraw/zinc/07/54/21/384075421.db2.gz WISHOQVCIWQGMO-UHFFFAOYSA-N 0 0 211.305 2.195 50 0 BEAARN C[C@@H]1CC(=O)CCN1Cc1ccccc1 ZINC000038235427 384079146 /nfs/dbraw/zinc/07/91/46/384079146.db2.gz PBIZOPYFPXOGAW-LLVKDONJSA-N 0 0 203.285 2.240 50 0 BEAARN C[S@](=O)c1ccccc1Br ZINC000038272023 384081950 /nfs/dbraw/zinc/08/19/50/384081950.db2.gz NNNHMHLNXXGWBA-SNVBAGLBSA-N 0 0 219.103 2.187 50 0 BEAARN Cc1ccc(C)c(N2C(=N)SCC2=O)c1 ZINC000005046719 384098318 /nfs/dbraw/zinc/09/83/18/384098318.db2.gz AXQYTOLZJHYPOM-UHFFFAOYSA-N 0 0 220.297 2.318 50 0 BEAARN COC(=O)/C=C/c1cc2cc(OC)ccc2[nH]1 ZINC000038976601 384098618 /nfs/dbraw/zinc/09/86/18/384098618.db2.gz YNAQUUBSQGHUEK-ZZXKWVIFSA-N 0 0 231.251 2.363 50 0 BEAARN COc1ccc(Br)c(C)c1N ZINC000039109816 384106873 /nfs/dbraw/zinc/10/68/73/384106873.db2.gz WJJPTJUGEUOQPI-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN COC(=O)c1cc(Br)cs1 ZINC000039278967 384112434 /nfs/dbraw/zinc/11/24/34/384112434.db2.gz HPZXLAIWCQLSAR-UHFFFAOYSA-N 0 0 221.075 2.297 50 0 BEAARN Cn1cnc(Nc2cc(Cl)nc(Cl)n2)c1 ZINC000091302205 384116168 /nfs/dbraw/zinc/11/61/68/384116168.db2.gz AJJQPGJBXAHTJH-UHFFFAOYSA-N 0 0 244.085 2.261 50 0 BEAARN O=C(c1ccco1)N1CCC2(CCCCO2)CC1 ZINC000257191520 384116762 /nfs/dbraw/zinc/11/67/62/384116762.db2.gz PUHAUXXZFCZVSJ-UHFFFAOYSA-N 0 0 249.310 2.455 50 0 BEAARN Cc1noc([C@@H]2CCC(=O)N(C3CCCC3)C2)n1 ZINC000091548631 384133733 /nfs/dbraw/zinc/13/37/33/384133733.db2.gz RCJYQNQLKGTNCF-SNVBAGLBSA-N 0 0 249.314 2.027 50 0 BEAARN Nc1ncnc2scc(Br)c21 ZINC000091692286 384137995 /nfs/dbraw/zinc/13/79/95/384137995.db2.gz XIGNYVXBEMTBEM-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN Cc1nc(C)c(C)c(N(C)CC2(CO)CCC2)n1 ZINC000091665319 384135092 /nfs/dbraw/zinc/13/50/92/384135092.db2.gz YAVRAXSWEAAIAK-UHFFFAOYSA-N 0 0 249.358 2.001 50 0 BEAARN COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000005576691 384120977 /nfs/dbraw/zinc/12/09/77/384120977.db2.gz ANBDXPWKDSKYHR-KCJUWKMLSA-N 0 0 233.267 2.068 50 0 BEAARN CC(C)C[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005760058 384129815 /nfs/dbraw/zinc/12/98/15/384129815.db2.gz FMVWVPAXPVSWER-NSHDSACASA-N 0 0 248.351 2.322 50 0 BEAARN Nc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000005785021 384130355 /nfs/dbraw/zinc/13/03/55/384130355.db2.gz SFKXKVUEXCFQLZ-UHFFFAOYSA-N 0 0 229.161 2.338 50 0 BEAARN C[C@H](NC(=O)C1CC1)c1ccc(F)cc1 ZINC000040456251 384153025 /nfs/dbraw/zinc/15/30/25/384153025.db2.gz UHMWGVOBBZIMJP-QMMMGPOBSA-N 0 0 207.248 2.413 50 0 BEAARN CC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000071908045 384154806 /nfs/dbraw/zinc/15/48/06/384154806.db2.gz YKLZPNIUYQIPBG-STQMWFEESA-N 0 0 239.359 2.450 50 0 BEAARN C[C@@H](NC(=O)C1CC1)c1ccc(F)cc1 ZINC000040456254 384154998 /nfs/dbraw/zinc/15/49/98/384154998.db2.gz UHMWGVOBBZIMJP-MRVPVSSYSA-N 0 0 207.248 2.413 50 0 BEAARN Cc1ccc([C@H]2CCCN2S(C)(=O)=O)s1 ZINC000071908355 384156652 /nfs/dbraw/zinc/15/66/52/384156652.db2.gz URQYQPVLVVYMDY-SECBINFHSA-N 0 0 245.369 2.153 50 0 BEAARN Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC000005973836 384139822 /nfs/dbraw/zinc/13/98/22/384139822.db2.gz DAONLTNVFHRQFO-UHFFFAOYSA-N 0 0 202.044 2.452 50 0 BEAARN COCCn1c(Cc2ccccc2)n[nH]c1=S ZINC000005981727 384141224 /nfs/dbraw/zinc/14/12/24/384141224.db2.gz AMUFUVJIBIEAFX-UHFFFAOYSA-N 0 0 249.339 2.178 50 0 BEAARN Cc1ccc(CN2C[C@]3(CCOC3)CCC2=O)o1 ZINC000091745286 384144409 /nfs/dbraw/zinc/14/44/09/384144409.db2.gz XQCOJVYQPUERNF-CQSZACIVSA-N 0 0 249.310 2.117 50 0 BEAARN COC[C@@H](C)OC(=O)c1sccc1C ZINC000071905098 384145791 /nfs/dbraw/zinc/14/57/91/384145791.db2.gz LVHHKBCFYREXHH-MRVPVSSYSA-N 0 0 214.286 2.248 50 0 BEAARN COc1cc(C)ccc1-c1nccn1[C@@H](C)CO ZINC000071750202 384176689 /nfs/dbraw/zinc/17/66/89/384176689.db2.gz ZZPOKRSXVLTFIQ-NSHDSACASA-N 0 0 246.310 2.420 50 0 BEAARN O=C(c1coc2ccccc12)N1CCCO1 ZINC000097370233 384174229 /nfs/dbraw/zinc/17/42/29/384174229.db2.gz NIQGYOBDEWRPOW-UHFFFAOYSA-N 0 0 217.224 2.210 50 0 BEAARN Nc1ccc(C[C@H]2COc3ccccc3C2)nc1 ZINC000092080523 384161362 /nfs/dbraw/zinc/16/13/62/384161362.db2.gz GLENTLCQMCPIBN-NSHDSACASA-N 0 0 240.306 2.458 50 0 BEAARN Cc1ccc(C)c(-c2ccc(=O)[nH]n2)c1 ZINC000006703927 384165016 /nfs/dbraw/zinc/16/50/16/384165016.db2.gz UBTLLCBYNPWOSR-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN COC[C@@H](C)NC(=O)c1ccccc1SC ZINC000006728639 384165621 /nfs/dbraw/zinc/16/56/21/384165621.db2.gz CYQPFOLNBWOVOS-SECBINFHSA-N 0 0 239.340 2.173 50 0 BEAARN C[C@H]1Oc2cc(Br)ccc2NC1=O ZINC000062533482 384166144 /nfs/dbraw/zinc/16/61/44/384166144.db2.gz QVEHEXXQFGINCG-RXMQYKEDSA-N 0 0 242.072 2.169 50 0 BEAARN O=C1Nc2ncccc2O[C@@H]1c1ccccc1 ZINC000006750270 384166938 /nfs/dbraw/zinc/16/69/38/384166938.db2.gz WCRBATJQPYIJHF-LLVKDONJSA-N 0 0 226.235 2.154 50 0 BEAARN CCS(=O)(=O)c1cccc(Br)c1 ZINC000071494873 384168296 /nfs/dbraw/zinc/16/82/96/384168296.db2.gz GMUBLMSOVHRKLE-UHFFFAOYSA-N 0 0 249.129 2.243 50 0 BEAARN Nc1nnc(SCCc2ccccc2)s1 ZINC000006833714 384169317 /nfs/dbraw/zinc/16/93/17/384169317.db2.gz SJDSLXXTERCPKY-UHFFFAOYSA-N 0 0 237.353 2.455 50 0 BEAARN Cc1ccc(C(=O)Nc2nccs2)o1 ZINC000002744811 384184566 /nfs/dbraw/zinc/18/45/66/384184566.db2.gz FGUYKDJNAJLKAN-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN CCOc1ccc(C(N)=O)cc1C(F)(F)F ZINC000071867337 384185134 /nfs/dbraw/zinc/18/51/34/384185134.db2.gz OQBNISNCGCRBHE-UHFFFAOYSA-N 0 0 233.189 2.203 50 0 BEAARN COc1ccc(C)nc1NC(=O)NC1(C)CCC1 ZINC000097378621 384185419 /nfs/dbraw/zinc/18/54/19/384185419.db2.gz SEICBJGPRWVMOL-UHFFFAOYSA-N 0 0 249.314 2.463 50 0 BEAARN Cc1ccc(OCC(=O)NCC(C)C)cc1C ZINC000041104084 384177504 /nfs/dbraw/zinc/17/75/04/384177504.db2.gz RXQAXFMNZADKMI-UHFFFAOYSA-N 0 0 235.327 2.454 50 0 BEAARN O=C1c2ccccc2C(=O)N1[C@@H]1C=CCC1 ZINC000071774274 384178477 /nfs/dbraw/zinc/17/84/77/384178477.db2.gz AHPMKYXDPNFYIM-SECBINFHSA-N 0 0 213.236 2.001 50 0 BEAARN CCCc1cnc(NCc2cnn(C)c2)s1 ZINC000097375463 384180705 /nfs/dbraw/zinc/18/07/05/384180705.db2.gz IPINMUGQVXXBOF-UHFFFAOYSA-N 0 0 236.344 2.441 50 0 BEAARN Cc1sccc1C(=O)N(C)CC(F)F ZINC000336250370 384183932 /nfs/dbraw/zinc/18/39/32/384183932.db2.gz ZZTYETQHKXUVGG-UHFFFAOYSA-N 0 0 219.256 2.394 50 0 BEAARN O=Cc1cccn1CC(=O)Nc1ccccc1F ZINC000033508499 384204888 /nfs/dbraw/zinc/20/48/88/384204888.db2.gz NHPNPMMVKGKNES-UHFFFAOYSA-N 0 0 246.241 2.078 50 0 BEAARN COC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000072305094 384206327 /nfs/dbraw/zinc/20/63/27/384206327.db2.gz NIIZVGHWZPYCCG-UHFFFAOYSA-N 0 0 229.235 2.032 50 0 BEAARN Nc1ccccc1N1C[C@@H](C(F)(F)F)OC1=O ZINC000072295220 384206671 /nfs/dbraw/zinc/20/66/71/384206671.db2.gz XVKHXGMAXKQROH-QMMMGPOBSA-N 0 0 246.188 2.156 50 0 BEAARN C[C@H](C(=O)Nc1cnccn1)c1cccc(F)c1 ZINC000097379882 384192155 /nfs/dbraw/zinc/19/21/55/384192155.db2.gz LWFILCKJPOCTCL-VIFPVBQESA-N 0 0 245.257 2.358 50 0 BEAARN c1nnc(N2C[C@H]3[C@@H](C2)C2CCC3CC2)s1 ZINC000072160921 384197415 /nfs/dbraw/zinc/19/74/15/384197415.db2.gz HKOGJTCDSBZHME-HWACXVBKSA-N 0 0 235.356 2.411 50 0 BEAARN Cc1cn(-c2cncc(Br)c2)cn1 ZINC000072192807 384198255 /nfs/dbraw/zinc/19/82/55/384198255.db2.gz VMZLJNZWYGRNCW-UHFFFAOYSA-N 0 0 238.088 2.338 50 0 BEAARN Cc1ccn(C)c1C(=O)N1CCC=C(F)C1 ZINC000336503915 384231475 /nfs/dbraw/zinc/23/14/75/384231475.db2.gz IRNFCKQNLHPHGE-UHFFFAOYSA-N 0 0 222.263 2.033 50 0 BEAARN Nc1nnc(CCSc2ccccc2)s1 ZINC000008728270 384211217 /nfs/dbraw/zinc/21/12/17/384211217.db2.gz BYPQZLZKIMDVIC-UHFFFAOYSA-N 0 0 237.353 2.455 50 0 BEAARN O=C(CC1CC(=O)C1)OCc1ccccc1 ZINC000082049658 384217371 /nfs/dbraw/zinc/21/73/71/384217371.db2.gz RUQBTZJNUJTCLL-UHFFFAOYSA-N 0 0 218.252 2.099 50 0 BEAARN CCOc1ccc(C(=O)N(C)C)cc1Cl ZINC000072446839 384222560 /nfs/dbraw/zinc/22/25/60/384222560.db2.gz RKKCYUFPSXJWRU-UHFFFAOYSA-N 0 0 227.691 2.441 50 0 BEAARN CSCCC(=O)N1CCn2cccc2[C@H]1C ZINC000036396696 384224090 /nfs/dbraw/zinc/22/40/90/384224090.db2.gz WJYVHKSIKLICMV-SNVBAGLBSA-N 0 0 238.356 2.144 50 0 BEAARN CNc1ncc(Br)cc1C ZINC000042783835 384245406 /nfs/dbraw/zinc/24/54/06/384245406.db2.gz QTBNIBCNVQMGPP-UHFFFAOYSA-N 0 0 201.067 2.194 50 0 BEAARN CC[C@@H](NC(=O)c1cccc(OC)c1)C(F)F ZINC000408519782 384277601 /nfs/dbraw/zinc/27/76/01/384277601.db2.gz YRZQPOJCYJCTKM-SNVBAGLBSA-N 0 0 243.253 2.469 50 0 BEAARN Cc1nnsc1C(=O)Nc1ccccc1 ZINC000000139054 384265994 /nfs/dbraw/zinc/26/59/94/384265994.db2.gz IYKDYRRWHMXJLW-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CC(=O)Nc1nc2c(cccc2F)s1 ZINC000004325439 384267940 /nfs/dbraw/zinc/26/79/40/384267940.db2.gz ICVJZVBRTQMUOC-UHFFFAOYSA-N 0 0 210.233 2.394 50 0 BEAARN COC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000010454262 384272537 /nfs/dbraw/zinc/27/25/37/384272537.db2.gz VASLEASMBRLHMM-UHFFFAOYSA-N 0 0 235.283 2.002 50 0 BEAARN O=C(/C=C\c1cccnc1)NCc1ccccc1 ZINC000096988865 384273965 /nfs/dbraw/zinc/27/39/65/384273965.db2.gz LYSMOLAIHRQHIO-HJWRWDBZSA-N 0 0 238.290 2.411 50 0 BEAARN CCN(CCO)C(=O)NC1CCCCCCC1 ZINC000071922690 384278269 /nfs/dbraw/zinc/27/82/69/384278269.db2.gz GRBTYZPOSYIXHS-UHFFFAOYSA-N 0 0 242.363 2.123 50 0 BEAARN CC1(C)C[C@H](c2csc(N)n2)CCO1 ZINC000012341283 384310648 /nfs/dbraw/zinc/31/06/48/384310648.db2.gz OMPHQJYCFNDVJT-SSDOTTSWSA-N 0 0 212.318 2.398 50 0 BEAARN COC(=O)c1ccc2cc(N)ccc2c1 ZINC000044075722 384313509 /nfs/dbraw/zinc/31/35/09/384313509.db2.gz LPXVPYIHRFOTJZ-UHFFFAOYSA-N 0 0 201.225 2.209 50 0 BEAARN Nc1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000012375139 384316651 /nfs/dbraw/zinc/31/66/51/384316651.db2.gz NNZHKDDINNVVPL-UHFFFAOYSA-N 0 0 200.241 2.269 50 0 BEAARN CC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000012399131 384317301 /nfs/dbraw/zinc/31/73/01/384317301.db2.gz CEOHCOYTMHLYST-UHFFFAOYSA-N 0 0 232.205 2.368 50 0 BEAARN Cc1cc(C(=O)[O-])c(C)n1[C@@H]1C[NH+]2CCC1CC2 ZINC000012505740 384322973 /nfs/dbraw/zinc/32/29/73/384322973.db2.gz KAHMWPLCHVMYEH-CYBMUJFWSA-N 0 0 248.326 2.070 50 0 BEAARN Cc1ccc(I)c(C=O)c1 ZINC000104830654 384287579 /nfs/dbraw/zinc/28/75/79/384287579.db2.gz BAAROQBNFNMLON-UHFFFAOYSA-N 0 0 246.047 2.412 50 0 BEAARN CC(C)Cc1csc(-c2nnsc2N)n1 ZINC000408524535 384288973 /nfs/dbraw/zinc/28/89/73/384288973.db2.gz VJMTXRKZYWLBOP-UHFFFAOYSA-N 0 0 240.357 2.442 50 0 BEAARN CCc1cc(CCCn2ccc(C)cc2=O)on1 ZINC000408525193 384290173 /nfs/dbraw/zinc/29/01/73/384290173.db2.gz PASGIKBAFQKERI-UHFFFAOYSA-N 0 0 246.310 2.340 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc2c(c1)c(=O)[nH]n2C ZINC000227164872 384296133 /nfs/dbraw/zinc/29/61/33/384296133.db2.gz INJLRXDVIMLDKL-MRVPVSSYSA-N 0 0 247.298 2.264 50 0 BEAARN O=[S@](CCO)[C@@H]1CCc2c1cccc2Cl ZINC000097046692 384299917 /nfs/dbraw/zinc/29/99/17/384299917.db2.gz NKWTVLVMSIYANC-ABAIWWIYSA-N 0 0 244.743 2.068 50 0 BEAARN CCCc1nnc(NCc2c(C)noc2C)o1 ZINC000097045427 384303825 /nfs/dbraw/zinc/30/38/25/384303825.db2.gz PWCXKIZHSQFAAC-UHFFFAOYSA-N 0 0 236.275 2.239 50 0 BEAARN Cc1cc(C)c2c(=O)[nH]n(C(C)C)c2n1 ZINC000004383661 384341377 /nfs/dbraw/zinc/34/13/77/384341377.db2.gz QOYUOAZWTCZDTG-UHFFFAOYSA-N 0 0 205.261 2.335 50 0 BEAARN O=C(CC1CCCCC1)NC[C@@H]1CCCO1 ZINC000000780043 384341561 /nfs/dbraw/zinc/34/15/61/384341561.db2.gz QFQXFFWYUUVKIN-LBPRGKRZSA-N 0 0 225.332 2.252 50 0 BEAARN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)no1 ZINC000013329513 384354939 /nfs/dbraw/zinc/35/49/39/384354939.db2.gz KWFRVTIJRXACOX-WPRPVWTQSA-N 0 0 222.288 2.292 50 0 BEAARN CS[C@@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC000096119996 384355011 /nfs/dbraw/zinc/35/50/11/384355011.db2.gz ROIQVJIQBPYRGK-SNVBAGLBSA-N 0 0 239.340 2.474 50 0 BEAARN CC(C)(C)c1nc(NCc2ccncc2)no1 ZINC000097102963 384355949 /nfs/dbraw/zinc/35/59/49/384355949.db2.gz STXNYYXHDYHFIE-UHFFFAOYSA-N 0 0 232.287 2.374 50 0 BEAARN Cc1ccc(Oc2c(C)nc(C)[nH]c2=O)cc1 ZINC000013469634 384358401 /nfs/dbraw/zinc/35/84/01/384358401.db2.gz HMZSAPINSHBUFQ-UHFFFAOYSA-N 0 0 230.267 2.487 50 0 BEAARN Nc1cc(F)ccc1-c1nc(-c2ccoc2)n[nH]1 ZINC000097105495 384358786 /nfs/dbraw/zinc/35/87/86/384358786.db2.gz VPTRHFWNQXTFJD-UHFFFAOYSA-N 0 0 244.229 2.453 50 0 BEAARN CCc1cccc(Nc2nc(C)cc(=O)[nH]2)c1 ZINC000044845853 384360365 /nfs/dbraw/zinc/36/03/65/384360365.db2.gz WXSOUODBBYHMFN-UHFFFAOYSA-N 0 0 229.283 2.384 50 0 BEAARN O=Cc1ccc(Br)c2nsnc21 ZINC000095099978 384365797 /nfs/dbraw/zinc/36/57/97/384365797.db2.gz VPDPNJVAWKCZEH-UHFFFAOYSA-N 0 0 243.085 2.266 50 0 BEAARN Cc1ccc([C@H]2CC(=O)c3ccc(=O)[nH]c3C2)o1 ZINC000095117754 384366329 /nfs/dbraw/zinc/36/63/29/384366329.db2.gz ZKZUFHIQIHTLTO-SECBINFHSA-N 0 0 243.262 2.189 50 0 BEAARN CCCCNc1cc(C(=O)OC)ccc1N ZINC000095217852 384368016 /nfs/dbraw/zinc/36/80/16/384368016.db2.gz SXOVLCJDICCMPF-UHFFFAOYSA-N 0 0 222.288 2.267 50 0 BEAARN COC(=O)c1sc(N)nc1C1CCCC1 ZINC000095347774 384368422 /nfs/dbraw/zinc/36/84/22/384368422.db2.gz IECJHQIWEWZCJR-UHFFFAOYSA-N 0 0 226.301 2.170 50 0 BEAARN Cc1ccc(O)c(CN(C)Cc2ccccn2)n1 ZINC000097113801 384369377 /nfs/dbraw/zinc/36/93/77/384369377.db2.gz HPUPAICCFPHJLF-UHFFFAOYSA-N 0 0 243.310 2.123 50 0 BEAARN COC(=O)c1ccc2c[nH+]c(C3CC3)n2c1C ZINC000095347632 384369524 /nfs/dbraw/zinc/36/95/24/384369524.db2.gz SAUUHUXVMBLQCF-UHFFFAOYSA-N 0 0 230.267 2.307 50 0 BEAARN O=c1c2ccccc2sn1CC[C@@H]1CCOC1 ZINC000095366899 384371610 /nfs/dbraw/zinc/37/16/10/384371610.db2.gz MLAHWXUAMLKBJM-SNVBAGLBSA-N 0 0 249.335 2.490 50 0 BEAARN Cc1cc(C(=O)[O-])c(C)n1[C@H]1C[NH+]2CCC1CC2 ZINC000012505741 384323243 /nfs/dbraw/zinc/32/32/43/384323243.db2.gz KAHMWPLCHVMYEH-ZDUSSCGKSA-N 0 0 248.326 2.070 50 0 BEAARN CC1(C)NC(=O)c2cc(Br)ccc21 ZINC000095743411 384392615 /nfs/dbraw/zinc/39/26/15/384392615.db2.gz ZRDLKDWIFKCBMF-UHFFFAOYSA-N 0 0 240.100 2.428 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@]2(CCC(=O)C2)C1 ZINC000095743441 384392910 /nfs/dbraw/zinc/39/29/10/384392910.db2.gz KVDDOJNQXATXQE-ZDUSSCGKSA-N 0 0 239.315 2.367 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)NC1CC1 ZINC000032843674 384394570 /nfs/dbraw/zinc/39/45/70/384394570.db2.gz YPWSYYFLXAFOSZ-SECBINFHSA-N 0 0 216.284 2.310 50 0 BEAARN CCOCCOc1ccc(N)cc1Cl ZINC000014629995 384399101 /nfs/dbraw/zinc/39/91/01/384399101.db2.gz MYSPUUXRAFYZRI-UHFFFAOYSA-N 0 0 215.680 2.338 50 0 BEAARN Clc1ccc2nc(Br)nn2c1 ZINC000095836442 384402718 /nfs/dbraw/zinc/40/27/18/384402718.db2.gz FBUHJKIORPIVLB-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Ic1ccc2n[nH]cc2c1 ZINC000014983580 384412229 /nfs/dbraw/zinc/41/22/29/384412229.db2.gz CGCHCLICSHIAAM-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 in-vivo BEAARN COc1cc(OC)c2nc(C)cc(N)c2c1 ZINC000014987950 384414637 /nfs/dbraw/zinc/41/46/37/384414637.db2.gz PHFIVVCFXROADV-UHFFFAOYSA-N 0 0 218.256 2.143 50 0 BEAARN CC[C@H]1CCN(C(=O)Nc2ccncc2F)C1 ZINC000095940270 384416371 /nfs/dbraw/zinc/41/63/71/384416371.db2.gz VDYSSZPDPSGXAZ-VIFPVBQESA-N 0 0 237.278 2.485 50 0 BEAARN O=Cc1ccc(OC(F)(F)F)cc1O ZINC000096032698 384421381 /nfs/dbraw/zinc/42/13/81/384421381.db2.gz DFFYWNFXELSYRE-UHFFFAOYSA-N 0 0 206.119 2.103 50 0 BEAARN COc1cc(COC(=O)CSC)ccc1C ZINC000077961820 384422875 /nfs/dbraw/zinc/42/28/75/384422875.db2.gz HXTKMHPFYKAMFG-UHFFFAOYSA-N 0 0 240.324 2.410 50 0 BEAARN CC(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000095397551 384375798 /nfs/dbraw/zinc/37/57/98/384375798.db2.gz YBIQAAKNELYETE-GFCCVEGCSA-N 0 0 221.325 2.323 50 0 BEAARN C[C@@H](CO)N(C)C(=O)Nc1ccccc1Cl ZINC000095443100 384378173 /nfs/dbraw/zinc/37/81/73/384378173.db2.gz HSQQNCGCBWSSSO-QMMMGPOBSA-N 0 0 242.706 2.185 50 0 BEAARN O=c1oc2ccc(F)cc2cc1-c1csnn1 ZINC000004483698 384378594 /nfs/dbraw/zinc/37/85/94/384378594.db2.gz CLTMEJSIVINYKU-UHFFFAOYSA-N 0 0 248.238 2.451 50 0 BEAARN FC(F)c1nnc2ccc(Br)cn21 ZINC000095616392 384383274 /nfs/dbraw/zinc/38/32/74/384383274.db2.gz QYLYGCWLDHOLAH-UHFFFAOYSA-N 0 0 248.030 2.429 50 0 BEAARN O=CNc1cc(F)ccc1Br ZINC000095630355 384384897 /nfs/dbraw/zinc/38/48/97/384384897.db2.gz QISRREBIFWNGEE-UHFFFAOYSA-N 0 0 218.025 2.157 50 0 BEAARN O=Cc1cc(Br)c(N2CCCC2)o1 ZINC000004514820 384386456 /nfs/dbraw/zinc/38/64/56/384386456.db2.gz ROLISLZFWUMOAG-UHFFFAOYSA-N 0 0 244.088 2.455 50 0 BEAARN Cc1cccc(N2CCC[C@H](c3cn[nH]c3)C2)n1 ZINC000097163280 384388347 /nfs/dbraw/zinc/38/83/47/384388347.db2.gz LVFVFDCFUHAWRX-LBPRGKRZSA-N 0 0 242.326 2.497 50 0 BEAARN CC(C)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000032816821 384388533 /nfs/dbraw/zinc/38/85/33/384388533.db2.gz AJMNMOZYJWZVRO-UHFFFAOYSA-N 0 0 248.282 2.238 50 0 BEAARN COC(=O)[C@H](C)COCc1ccc(OC)cc1 ZINC000034485555 384389912 /nfs/dbraw/zinc/38/99/12/384389912.db2.gz UMNOPDAGCAZOPG-SNVBAGLBSA-N 0 0 238.283 2.021 50 0 BEAARN CC(=O)O[C@H]1CSc2nc3ccccc3n2C1 ZINC000000275134 384390500 /nfs/dbraw/zinc/39/05/00/384390500.db2.gz YIJMFRQLECOZIK-SECBINFHSA-N 0 0 248.307 2.074 50 0 BEAARN CC(=O)C(C)(C)OC(=O)Nc1nccs1 ZINC000000051496 384451323 /nfs/dbraw/zinc/45/13/23/384451323.db2.gz JQBKJGINNFVZTA-UHFFFAOYSA-N 0 0 228.273 2.059 50 0 BEAARN CCC(CC)[C@H](O)[C@@H]1CCCC[C@@H]1O ZINC000004582836 384451349 /nfs/dbraw/zinc/45/13/49/384451349.db2.gz PKYNNTVDTHYWOQ-WOPDTQHZSA-N 0 0 200.322 2.335 50 0 BEAARN CC(C)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C ZINC000016125355 384452226 /nfs/dbraw/zinc/45/22/26/384452226.db2.gz NPZQBWOKRKDZQZ-JTQLQIEISA-N 0 0 227.304 2.221 50 0 BEAARN CC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000016158400 384453872 /nfs/dbraw/zinc/45/38/72/384453872.db2.gz BGHPIIBSWJDRLQ-UHFFFAOYSA-N 0 0 200.140 2.211 50 0 BEAARN CCC[C@@]1(C)NC(=O)c2ccccc2O1 ZINC000000050621 384454985 /nfs/dbraw/zinc/45/49/85/384454985.db2.gz WKIAUWGQCZGVMH-LBPRGKRZSA-N 0 0 205.257 2.325 50 0 BEAARN FC1(F)CC(Nc2ncnc3c2CCC3)C1 ZINC000309479511 384428302 /nfs/dbraw/zinc/42/83/02/384428302.db2.gz DCLMDGSWQHRATB-UHFFFAOYSA-N 0 0 225.242 2.175 50 0 BEAARN COC(=O)c1cc(F)c(F)c(Cl)c1 ZINC000047202264 384443712 /nfs/dbraw/zinc/44/37/12/384443712.db2.gz RQLVBIYHPRXEIA-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN COC(=O)c1ccc(Cl)c(F)c1F ZINC000047202266 384444176 /nfs/dbraw/zinc/44/41/76/384444176.db2.gz LVPFZWHSCSDSKZ-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN CCc1cc(C(=O)Nc2c(C)cccc2O)n[nH]1 ZINC000097233771 384462851 /nfs/dbraw/zinc/46/28/51/384462851.db2.gz UUXRDZZZJGLVEG-UHFFFAOYSA-N 0 0 245.282 2.238 50 0 BEAARN COC(=O)[C@H](Cc1cccc(Cl)c1)C(C)=O ZINC000096663693 384472472 /nfs/dbraw/zinc/47/24/72/384472472.db2.gz MJBJMGDIZQDXFP-LLVKDONJSA-N 0 0 240.686 2.261 50 0 BEAARN COc1cc(F)c(O)cc1Br ZINC000079019681 384480258 /nfs/dbraw/zinc/48/02/58/384480258.db2.gz UOYXPWBIQQRHLA-UHFFFAOYSA-N 0 0 221.025 2.302 50 0 BEAARN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]12 ZINC000018084826 384497846 /nfs/dbraw/zinc/49/78/46/384497846.db2.gz ZCJHLBHJGLCVRU-WBRCCVPBSA-N 0 0 240.302 2.015 50 0 BEAARN O=C(COC(=O)C1CCCCC1)c1ccc[nH]1 ZINC000010627226 384498678 /nfs/dbraw/zinc/49/86/78/384498678.db2.gz ZXTFEHSCPQIIGH-UHFFFAOYSA-N 0 0 235.283 2.321 50 0 BEAARN CC(=O)O[C@@H](Cn1ccnc1)c1ccccc1 ZINC000000056330 384511625 /nfs/dbraw/zinc/51/16/25/384511625.db2.gz QPBBYIRHBLMQLQ-ZDUSSCGKSA-N 0 0 230.267 2.188 50 0 BEAARN Cc1nc(-c2cc(N)cc(C(F)(F)F)c2)n[nH]1 ZINC000048630627 384499766 /nfs/dbraw/zinc/49/97/66/384499766.db2.gz GOJGZQUIMGDXNT-UHFFFAOYSA-N 0 0 242.204 2.381 50 0 BEAARN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]12 ZINC000018258310 384503485 /nfs/dbraw/zinc/50/34/85/384503485.db2.gz ZCJHLBHJGLCVRU-BEIYENSPSA-N 0 0 240.302 2.015 50 0 BEAARN Cc1ccc(NC(N)=O)c(Br)c1 ZINC000019262821 384512319 /nfs/dbraw/zinc/51/23/19/384512319.db2.gz ZINLYDLRNMYDCZ-UHFFFAOYSA-N 0 0 229.077 2.248 50 0 BEAARN Nc1nnc(-c2c(F)cccc2Cl)o1 ZINC000019388745 384518169 /nfs/dbraw/zinc/51/81/69/384518169.db2.gz OWAYIIRZEKFZKG-UHFFFAOYSA-N 0 0 213.599 2.111 50 0 BEAARN CCS[C@H]1CCCC[C@@H]1NC(C)=O ZINC000095408785 384524372 /nfs/dbraw/zinc/52/43/72/384524372.db2.gz IHDTUDKWHBNSMF-UWVGGRQHSA-N 0 0 201.335 2.187 50 0 BEAARN Cc1nsc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000098013800 384525260 /nfs/dbraw/zinc/52/52/60/384525260.db2.gz CRVLPIOYCGVEOD-RNFRBKRXSA-N 0 0 229.374 2.177 50 0 BEAARN Cc1ccc(C)c(OCCCN2CCOCC2)c1 ZINC000019639040 384531625 /nfs/dbraw/zinc/53/16/25/384531625.db2.gz JXIUEJCOIFGLHD-UHFFFAOYSA-N 0 0 249.354 2.405 50 0 BEAARN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C ZINC000016049039 384542703 /nfs/dbraw/zinc/54/27/03/384542703.db2.gz JNNUQQIWQDCTEM-UHFFFAOYSA-N 0 0 241.356 2.380 50 0 BEAARN CCN(CC)c1ccc(C(N)=S)cc1 ZINC000019866546 384544105 /nfs/dbraw/zinc/54/41/05/384544105.db2.gz RVBXDLIPLQVDRT-UHFFFAOYSA-N 0 0 208.330 2.167 50 0 BEAARN C(=C/c1ccccc1)\CN1CCOCC1 ZINC000019840760 384546322 /nfs/dbraw/zinc/54/63/22/384546322.db2.gz UDSHBISYNCGDRX-QPJJXVBHSA-N 0 0 203.285 2.032 50 0 BEAARN Nc1nc2c(o1)c(Br)ccc2F ZINC000097757431 384553935 /nfs/dbraw/zinc/55/39/35/384553935.db2.gz YPMMAQSDCPJIFW-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN CC(=O)c1cc(C)c(Br)cn1 ZINC000097758805 384554807 /nfs/dbraw/zinc/55/48/07/384554807.db2.gz IZQZLUANDRPXSO-UHFFFAOYSA-N 0 0 214.062 2.355 50 0 BEAARN Nc1ccc(Oc2ccnc3n[nH]cc32)c(F)c1 ZINC000080443696 384558254 /nfs/dbraw/zinc/55/82/54/384558254.db2.gz KFEHQSLGLJKXMG-UHFFFAOYSA-N 0 0 244.229 2.472 50 0 BEAARN Fc1ccc2n[nH]cc2c1Br ZINC000080441558 384558806 /nfs/dbraw/zinc/55/88/06/384558806.db2.gz DSJLGFMRGIJMJK-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN Cc1ccc(NCc2ncc[nH]2)c(F)c1 ZINC000049714787 384561151 /nfs/dbraw/zinc/56/11/51/384561151.db2.gz PMGPTHDUGYVUPN-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN Cn1nnnc1SCc1sccc1Cl ZINC000253400462 384536962 /nfs/dbraw/zinc/53/69/62/384536962.db2.gz IXVYIXVRRNNOBO-UHFFFAOYSA-N 0 0 246.748 2.217 50 0 BEAARN CC(C)[C@@H]([NH2+]Cc1ccccc1F)C(=O)[O-] ZINC000019787741 384537636 /nfs/dbraw/zinc/53/76/36/384537636.db2.gz DVKGSFRTYMCTCD-LLVKDONJSA-N 0 0 225.263 2.025 50 0 BEAARN Cc1nnc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)s1 ZINC000098020211 384538100 /nfs/dbraw/zinc/53/81/00/384538100.db2.gz DMIAOYAOPPJHRG-BBBLOLIVSA-N 0 0 239.344 2.216 50 0 BEAARN O=C1CCCN1Cc1ccc(Cl)cc1 ZINC000049814680 384568866 /nfs/dbraw/zinc/56/88/66/384568866.db2.gz HHMICZRJTHFXRX-UHFFFAOYSA-N 0 0 209.676 2.462 50 0 BEAARN Nc1nonc1-c1cccc(Br)c1 ZINC000049830007 384573033 /nfs/dbraw/zinc/57/30/33/384573033.db2.gz TVNCBEDFBBBGLP-UHFFFAOYSA-N 0 0 240.060 2.081 50 0 BEAARN NCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000020020365 384565285 /nfs/dbraw/zinc/56/52/85/384565285.db2.gz IAMKBTSZYJGPSG-UHFFFAOYSA-N 0 0 243.188 2.214 50 0 BEAARN Cc1noc(-c2nc(-c3ccccc3)no2)n1 ZINC000098212315 384604327 /nfs/dbraw/zinc/60/43/27/384604327.db2.gz BOIRNJSRCAVEQM-UHFFFAOYSA-N 0 0 228.211 2.095 50 0 BEAARN CC[C@H](CC(=O)OC)c1cccc(O)c1 ZINC000098213345 384604804 /nfs/dbraw/zinc/60/48/04/384604804.db2.gz APYKJHDCYFIQJM-SECBINFHSA-N 0 0 208.257 2.449 50 0 BEAARN Cc1ccc(C2CC(=O)CC(=O)C2)cc1 ZINC000100014344 384608599 /nfs/dbraw/zinc/60/85/99/384608599.db2.gz NFJVIBUOAMVFME-UHFFFAOYSA-N 0 0 202.253 2.401 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCO)CC1 ZINC000100007353 384609191 /nfs/dbraw/zinc/60/91/91/384609191.db2.gz KTNFSGIXLVLQNK-XYPYZODXSA-N 0 0 243.347 2.452 50 0 BEAARN Nc1cccc([C@@H]2CN3C=CSC3=N2)c1 ZINC000100157836 384620996 /nfs/dbraw/zinc/62/09/96/384620996.db2.gz BOKOYYZHDOIYIM-JTQLQIEISA-N 0 0 217.297 2.200 50 0 BEAARN Cc1nnc(CN[C@@H](C)c2ccccn2)s1 ZINC000309803663 384627879 /nfs/dbraw/zinc/62/78/79/384627879.db2.gz RPZJOPHUQDSFTD-QMMMGPOBSA-N 0 0 234.328 2.092 50 0 BEAARN c1cn(Cc2ccc(-n3ccnc3)cc2)cn1 ZINC000073276355 384630321 /nfs/dbraw/zinc/63/03/21/384630321.db2.gz YCHCGNVDQSCYMS-UHFFFAOYSA-N 0 0 224.267 2.117 50 0 BEAARN CC(C)c1ccccc1N1CCNC1=O ZINC000098096575 384593401 /nfs/dbraw/zinc/59/34/01/384593401.db2.gz UNBKACZCGTYQEQ-UHFFFAOYSA-N 0 0 204.273 2.340 50 0 BEAARN Nc1c(Cl)cc(-n2cnnc2)cc1Cl ZINC000082349664 384673329 /nfs/dbraw/zinc/67/33/29/384673329.db2.gz OEVWYMZVRGHKQI-UHFFFAOYSA-N 0 0 229.070 2.156 50 0 BEAARN O=C1NC[C@H](c2ccc(Br)cc2)O1 ZINC000041286225 384635335 /nfs/dbraw/zinc/63/53/35/384635335.db2.gz FWGFASQLOPSRHI-MRVPVSSYSA-N 0 0 242.072 2.230 50 0 BEAARN Cc1ccc(C(=O)Nc2nnc(C)s2)s1 ZINC000020885994 384638854 /nfs/dbraw/zinc/63/88/54/384638854.db2.gz SQZSXSQHAPMDEU-UHFFFAOYSA-N 0 0 239.325 2.469 50 0 BEAARN CC(=O)O[C@@H]1CCc2c1nccc2Cl ZINC000082049739 384644356 /nfs/dbraw/zinc/64/43/56/384644356.db2.gz MNKSKFGPLLEKNZ-SECBINFHSA-N 0 0 211.648 2.285 50 0 BEAARN O=c1[nH]ccc2cc(Cl)nc(Cl)c21 ZINC000082048623 384645138 /nfs/dbraw/zinc/64/51/38/384645138.db2.gz UIVWSQSYQQDTRE-UHFFFAOYSA-N 0 0 215.039 2.230 50 0 BEAARN CCOC(=O)C(O)=CC(=O)c1cc(C)ccc1C ZINC000100595705 384647670 /nfs/dbraw/zinc/64/76/70/384647670.db2.gz FRMKYUXSGRBHMC-UHFFFAOYSA-N 0 0 248.278 2.008 50 0 BEAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccccc1O ZINC000100577116 384647853 /nfs/dbraw/zinc/64/78/53/384647853.db2.gz QHOUAEQAWXAJBD-NXEZZACHSA-N 0 0 245.278 2.072 50 0 BEAARN CN1CCNc2cc(Br)ccc21 ZINC000082238533 384651685 /nfs/dbraw/zinc/65/16/85/384651685.db2.gz DXGACWBAFPNXOZ-UHFFFAOYSA-N 0 0 227.105 2.311 50 0 BEAARN COC(=O)[C@H](O)c1cccc(Cl)c1Cl ZINC000050974317 384652991 /nfs/dbraw/zinc/65/29/91/384652991.db2.gz PWIYXISMBHIJAU-MRVPVSSYSA-N 0 0 235.066 2.200 50 0 BEAARN COC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000050974711 384654521 /nfs/dbraw/zinc/65/45/21/384654521.db2.gz ZIRDWWNAXJFVAZ-QMMMGPOBSA-N 0 0 235.066 2.200 50 0 BEAARN O=S(=O)(NC1CCCC1)c1ccc(F)cc1 ZINC000002742318 384657367 /nfs/dbraw/zinc/65/73/67/384657367.db2.gz ZLEZVYSQPYZISR-UHFFFAOYSA-N 0 0 243.303 2.047 50 0 BEAARN Cn1nccc1C(=O)c1ccc(Cl)cc1 ZINC000000236693 384660695 /nfs/dbraw/zinc/66/06/95/384660695.db2.gz WOZWSRNIBXHSCB-UHFFFAOYSA-N 0 0 220.659 2.305 50 0 BEAARN CC(=O)c1ncc(Br)s1 ZINC000022007396 384724791 /nfs/dbraw/zinc/72/47/91/384724791.db2.gz RNNZWFBZBNHQOO-UHFFFAOYSA-N 0 0 206.064 2.108 50 0 BEAARN Cc1ccoc1CNc1ncc(F)cn1 ZINC000335912692 384676730 /nfs/dbraw/zinc/67/67/30/384676730.db2.gz UBAADYULGGRBKZ-UHFFFAOYSA-N 0 0 207.208 2.129 50 0 BEAARN O=C(CC1=CCCCC1)N1C[C@@H](F)[C@@H](F)C1 ZINC000295699956 384685742 /nfs/dbraw/zinc/68/57/42/384685742.db2.gz IISPOTRVWZKWAZ-PHIMTYICSA-N 0 0 229.270 2.395 50 0 BEAARN Nc1noc(-c2cccc(C(F)(F)F)c2)n1 ZINC000082539133 384688838 /nfs/dbraw/zinc/68/88/38/384688838.db2.gz LHNSAPBOZFAHMP-UHFFFAOYSA-N 0 0 229.161 2.338 50 0 BEAARN CC(C)COc1ncc(Br)cn1 ZINC000082663834 384700610 /nfs/dbraw/zinc/70/06/10/384700610.db2.gz MEIADTWPWWGKEP-UHFFFAOYSA-N 0 0 231.093 2.274 50 0 BEAARN CCCCCNC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000095457441 384701660 /nfs/dbraw/zinc/70/16/60/384701660.db2.gz LTQQKJNFFYXPSP-NEPJUHHUSA-N 0 0 242.363 2.291 50 0 BEAARN CC[C@@H](C)C(=O)NCc1ccccc1F ZINC000055292566 384705898 /nfs/dbraw/zinc/70/58/98/384705898.db2.gz IWQITZCUTMOZSZ-SECBINFHSA-N 0 0 209.264 2.488 50 0 BEAARN COCc1nc(C(=O)OCC(C)(C)C)cs1 ZINC000078442751 384709621 /nfs/dbraw/zinc/70/96/21/384709621.db2.gz GLVFHKKELGQPLV-UHFFFAOYSA-N 0 0 243.328 2.492 50 0 BEAARN CN(C[C@@H]1CCOC1)c1cnc2ccccc2n1 ZINC000079017276 384713210 /nfs/dbraw/zinc/71/32/10/384713210.db2.gz LFWRFYAVLYVUGN-NSHDSACASA-N 0 0 243.310 2.103 50 0 BEAARN Nc1nc2cc(Br)cc(F)c2o1 ZINC000052066074 384714231 /nfs/dbraw/zinc/71/42/31/384714231.db2.gz XAHAKPIDUMVUEO-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN CC(=O)c1cc(Br)cc(F)c1O ZINC000052066170 384714402 /nfs/dbraw/zinc/71/44/02/384714402.db2.gz NBDDFAKYVVDWPU-UHFFFAOYSA-N 0 0 233.036 2.496 50 0 BEAARN C[C@]1(CNc2cnc3ccccc3n2)CCOC1 ZINC000079089943 384714864 /nfs/dbraw/zinc/71/48/64/384714864.db2.gz VNKNLUASCIMKIV-CQSZACIVSA-N 0 0 243.310 2.468 50 0 BEAARN Nc1nc2cc(F)cc(Br)c2o1 ZINC000052066086 384714918 /nfs/dbraw/zinc/71/49/18/384714918.db2.gz SYTJIWDCSMJXBW-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN O=C([O-])[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000086790518 384777287 /nfs/dbraw/zinc/77/72/87/384777287.db2.gz DFBZUMNXYJBKHC-JSGCOSHPSA-N 0 0 245.322 2.471 50 0 BEAARN CC(C)(C)OC(=O)N1Cc2ccc(CO)cc2C1 ZINC000052514896 384735861 /nfs/dbraw/zinc/73/58/61/384735861.db2.gz AELZVPRONRWNRQ-UHFFFAOYSA-N 0 0 249.310 2.430 50 0 BEAARN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000082549945 384738947 /nfs/dbraw/zinc/73/89/47/384738947.db2.gz JCPZNJGPDBFYDX-LLVKDONJSA-N 0 0 241.237 2.014 50 0 BEAARN COC(=O)c1cc(-c2cc(C)ccc2OC)[nH]n1 ZINC000083188948 384748441 /nfs/dbraw/zinc/74/84/41/384748441.db2.gz GHKRNUHVFVDXCB-UHFFFAOYSA-N 0 0 246.266 2.180 50 0 BEAARN O=C(OC1(C2CC2)CC1)c1ccccn1 ZINC000083770437 384756701 /nfs/dbraw/zinc/75/67/01/384756701.db2.gz NIFSNHONUWTSIA-UHFFFAOYSA-N 0 0 203.241 2.181 50 0 BEAARN Cc1noc(C)c1NC(=O)COc1ccccc1 ZINC000084025532 384757472 /nfs/dbraw/zinc/75/74/72/384757472.db2.gz XLKACRNWDAYNNJ-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN C[C@H](c1ccccc1)n1c(N)cc(=O)[nH]c1=S ZINC000022637708 384766596 /nfs/dbraw/zinc/76/65/96/384766596.db2.gz JJGAMWNEQHQICU-MRVPVSSYSA-N 0 0 247.323 2.097 50 0 BEAARN Cc1ccc(F)cc1NCc1cncn1C ZINC000085167737 384768521 /nfs/dbraw/zinc/76/85/21/384768521.db2.gz AFFSFJYJVXWRDN-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN C[C@@H]([NH2+]Cc1ccccc1F)[C@H](C)C(=O)[O-] ZINC000086297927 384772725 /nfs/dbraw/zinc/77/27/25/384772725.db2.gz ONLCLSFGQPCXLO-DTWKUNHWSA-N 0 0 225.263 2.025 50 0 BEAARN CCc1ccccc1Cn1nc(C)ccc1=O ZINC000188205572 384837678 /nfs/dbraw/zinc/83/76/78/384837678.db2.gz WDIWYRQXSQVSIQ-UHFFFAOYSA-N 0 0 228.295 2.162 50 0 BEAARN O=C1NC[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000083967419 384825215 /nfs/dbraw/zinc/82/52/15/384825215.db2.gz BXFZWQBMGJINIQ-QMMMGPOBSA-N 0 0 231.173 2.486 50 0 BEAARN CCO[C@@H]1C[C@H](N(C)C(C)=O)C12CCCC2 ZINC000084800818 384831304 /nfs/dbraw/zinc/83/13/04/384831304.db2.gz YBYWZUVNRBPVRD-NWDGAFQWSA-N 0 0 225.332 2.203 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000089830316 384789622 /nfs/dbraw/zinc/78/96/22/384789622.db2.gz MUHMQISBVLNJAA-ZDUSSCGKSA-N 0 0 233.311 2.168 50 0 BEAARN COc1ccc(-c2nccnc2OC)c(OC)c1 ZINC000426433580 384803337 /nfs/dbraw/zinc/80/33/37/384803337.db2.gz GXBCBJFPSWHHTH-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN CC(C)(F)C(=O)Nc1ncccc1Cl ZINC000225560020 384871922 /nfs/dbraw/zinc/87/19/22/384871922.db2.gz XWNQUNQMIKRWPD-UHFFFAOYSA-N 0 0 216.643 2.422 50 0 BEAARN COC(=O)c1ccc2c(c1)[nH]cc2C(C)=O ZINC000026423451 384873567 /nfs/dbraw/zinc/87/35/67/384873567.db2.gz SOWMOAHQIUXOTC-UHFFFAOYSA-N 0 0 217.224 2.157 50 0 BEAARN Cc1ccc(C(=O)N[C@@H]2CC23CC3)c(F)c1 ZINC000335494399 384878387 /nfs/dbraw/zinc/87/83/87/384878387.db2.gz FTUPWSJDQBFQSM-LLVKDONJSA-N 0 0 219.259 2.416 50 0 BEAARN CC(C)(C)OC(=O)Nc1cc(C=O)ccn1 ZINC000026896418 384886404 /nfs/dbraw/zinc/88/64/04/384886404.db2.gz KLQQTJMQHIOKJL-UHFFFAOYSA-N 0 0 222.244 2.241 50 0 BEAARN CCCCNC(=O)c1c(F)cccc1F ZINC000055529613 384888036 /nfs/dbraw/zinc/88/80/36/384888036.db2.gz PCPVDEOYJAPRHL-UHFFFAOYSA-N 0 0 213.227 2.495 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)C(C)C)n1C ZINC000025316885 384844066 /nfs/dbraw/zinc/84/40/66/384844066.db2.gz GOMDTIXKXZNBJM-JTQLQIEISA-N 0 0 208.305 2.108 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)C(C)C)n1C ZINC000025316884 384844356 /nfs/dbraw/zinc/84/43/56/384844356.db2.gz GOMDTIXKXZNBJM-SNVBAGLBSA-N 0 0 208.305 2.108 50 0 BEAARN O=C1Cc2cc(F)cc(Br)c2N1 ZINC000084193871 384847266 /nfs/dbraw/zinc/84/72/66/384847266.db2.gz UYUHOOICBAQACI-UHFFFAOYSA-N 0 0 230.036 2.083 50 0 BEAARN COC(=O)c1cc2cccc(O)c2s1 ZINC000147682423 384852369 /nfs/dbraw/zinc/85/23/69/384852369.db2.gz MKKLYJXEIPUNAR-UHFFFAOYSA-N 0 0 208.238 2.394 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C=O ZINC000025625499 384859131 /nfs/dbraw/zinc/85/91/31/384859131.db2.gz YNUVAJRGRQBLLB-MXWKQRLJSA-N 0 0 212.289 2.189 50 0 BEAARN Cc1cn2cccc(Br)c2n1 ZINC000084391704 384863650 /nfs/dbraw/zinc/86/36/50/384863650.db2.gz JJTBVBQXNUXOMN-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CS[C@@H](C)C(=O)NCC1CCCCC1 ZINC000340415665 384895041 /nfs/dbraw/zinc/89/50/41/384895041.db2.gz QERNHVOMPDSEAY-VIFPVBQESA-N 0 0 215.362 2.434 50 0 BEAARN CC(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000084847034 384902287 /nfs/dbraw/zinc/90/22/87/384902287.db2.gz LKUWPBGOUVNUAN-UHFFFAOYSA-N 0 0 234.280 2.474 50 0 BEAARN CC(=O)O[C@H]1CCC2=CC(=O)CC[C@@]21C ZINC000039375516 384914753 /nfs/dbraw/zinc/91/47/53/384914753.db2.gz QEUFIBCIDUUJEJ-RYUDHWBXSA-N 0 0 208.257 2.008 50 0 BEAARN COC(=O)C1(NCc2ccc(C)cc2C)CC1 ZINC000095943543 384915652 /nfs/dbraw/zinc/91/56/52/384915652.db2.gz HUMSSAXDRFIDRW-UHFFFAOYSA-N 0 0 233.311 2.099 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)/C=C/c1cscn1 ZINC000095957237 384919843 /nfs/dbraw/zinc/91/98/43/384919843.db2.gz QJCLSKHBCABABR-VUHVRTRXSA-N 0 0 236.340 2.413 50 0 BEAARN Fc1ccccc1[C@@H]1NCCn2cccc21 ZINC000056894651 384921377 /nfs/dbraw/zinc/92/13/77/384921377.db2.gz RCGRCTXPSVQZEH-ZDUSSCGKSA-N 0 0 216.259 2.320 50 0 BEAARN COC(=O)c1cc(Br)ccc1C=O ZINC000085224425 384927558 /nfs/dbraw/zinc/92/75/58/384927558.db2.gz ZYGJVCDDZZSSEE-UHFFFAOYSA-N 0 0 243.056 2.048 50 0 BEAARN COc1ccc(CNCC(F)(F)F)cc1 ZINC000057211587 384931764 /nfs/dbraw/zinc/93/17/64/384931764.db2.gz BGTAFXTUDODNBT-UHFFFAOYSA-N 0 0 219.206 2.347 50 0 BEAARN Cc1ccc(C(=O)CC2OCCO2)c(C)c1 ZINC000085652255 384959886 /nfs/dbraw/zinc/95/98/86/384959886.db2.gz XWENOTPRHBZWPR-UHFFFAOYSA-N 0 0 220.268 2.249 50 0 BEAARN O=C(c1ncco1)c1cccc(F)c1F ZINC000085651164 384960250 /nfs/dbraw/zinc/96/02/50/384960250.db2.gz WBFWSVKYIRJRLE-UHFFFAOYSA-N 0 0 209.151 2.184 50 0 BEAARN COC(=O)CNC1(c2ccccc2)CCCC1 ZINC000096491820 384944566 /nfs/dbraw/zinc/94/45/66/384944566.db2.gz LTBXJVRVPPTFAN-UHFFFAOYSA-N 0 0 233.311 2.219 50 0 BEAARN O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21 ZINC000028645388 384970627 /nfs/dbraw/zinc/97/06/27/384970627.db2.gz JTRXEPCDEVNYPE-UHFFFAOYSA-N 0 0 247.685 2.016 50 0 BEAARN C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccs1 ZINC000043545232 384982793 /nfs/dbraw/zinc/98/27/93/384982793.db2.gz OUGFYXRJLGNINV-BDAKNGLRSA-N 0 0 225.313 2.104 50 0 BEAARN CCC(=O)Nc1ccc(NC(=O)N(C)C)cc1C ZINC000058065409 384984154 /nfs/dbraw/zinc/98/41/54/384984154.db2.gz LKJRBZWEDHCGRI-UHFFFAOYSA-N 0 0 249.314 2.437 50 0 BEAARN CCCc1ccc(C(=O)NCc2cc[nH]n2)cc1 ZINC000058202427 384989018 /nfs/dbraw/zinc/98/90/18/384989018.db2.gz QUGSDRNCBDUKJZ-UHFFFAOYSA-N 0 0 243.310 2.292 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)NC(C2CC2)C2CC2)c1 ZINC000029383778 384989299 /nfs/dbraw/zinc/98/92/99/384989299.db2.gz WCLYQRCMGQYEFK-UHFFFAOYSA-N 0 0 246.310 2.136 50 0 BEAARN CN(Cc1ccccc1Cl)[C@H]1CCOC1=O ZINC000058203072 384990489 /nfs/dbraw/zinc/99/04/89/384990489.db2.gz RLRBFGDOIBLOEV-NSHDSACASA-N 0 0 239.702 2.087 50 0 BEAARN Fc1ccccc1OCCSc1c[nH]nn1 ZINC000177380531 384993051 /nfs/dbraw/zinc/99/30/51/384993051.db2.gz KUUCLJSDEBFHLW-UHFFFAOYSA-N 0 0 239.275 2.115 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000058264749 384993147 /nfs/dbraw/zinc/99/31/47/384993147.db2.gz KMEOZQHYWHCJLU-ZYHUDNBSSA-N 0 0 245.326 2.276 50 0 BEAARN Cc1csc(NC(=O)c2ccc[nH]2)n1 ZINC000058244874 384993668 /nfs/dbraw/zinc/99/36/68/384993668.db2.gz YAYWDKUPLXTMQO-UHFFFAOYSA-N 0 0 207.258 2.032 50 0 BEAARN CC[C@@H](C)C(=O)NC1(C(=O)OC)CCCCC1 ZINC000058330937 384995184 /nfs/dbraw/zinc/99/51/84/384995184.db2.gz BVBSUMOBAMCISY-SNVBAGLBSA-N 0 0 241.331 2.025 50 0 BEAARN C[C@H](NC(=O)c1ccc(O)cc1F)C1CCC1 ZINC000165342730 384995805 /nfs/dbraw/zinc/99/58/05/384995805.db2.gz MLBFIBXTIFSWCP-QMMMGPOBSA-N 0 0 237.274 2.450 50 0 BEAARN CCOc1ccccc1CCC(=O)N(C)C ZINC000058291403 384997081 /nfs/dbraw/zinc/99/70/81/384997081.db2.gz XVHYCOYHIHUXDW-UHFFFAOYSA-N 0 0 221.300 2.106 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)c1cc(C2CC2)on1 ZINC000058363889 384998991 /nfs/dbraw/zinc/99/89/91/384998991.db2.gz BFNUEPFQVOEPSI-QMMMGPOBSA-N 0 0 234.299 2.423 50 0 BEAARN C[C@@H](NC(=O)N[C@@H](C)c1ccccn1)C1CC1 ZINC000029728982 385004589 /nfs/dbraw/zinc/00/45/89/385004589.db2.gz LCSKDHAOQPQIAV-ZJUUUORDSA-N 0 0 233.315 2.240 50 0 BEAARN COC(=O)/C(=C/N(C)C)c1cccc(Cl)c1 ZINC000029763304 385005008 /nfs/dbraw/zinc/00/50/08/385005008.db2.gz LVQYIGYXJTTZFX-DHZHZOJOSA-N 0 0 239.702 2.416 50 0 BEAARN CC[C@@H](C)C(=O)OCc1nnsc1Cl ZINC000058553024 385013493 /nfs/dbraw/zinc/01/34/93/385013493.db2.gz HMYDQPPWDBXALI-RXMQYKEDSA-N 0 0 234.708 2.281 50 0 BEAARN Cc1[nH]ccc1C(=O)NCC1CC(F)(F)C1 ZINC000293580525 385014610 /nfs/dbraw/zinc/01/46/10/385014610.db2.gz FVBIGSRLFUIHPR-UHFFFAOYSA-N 0 0 228.242 2.098 50 0 BEAARN Cc1noc(C)c1CNC(=O)c1ccccc1 ZINC000061997191 385023292 /nfs/dbraw/zinc/02/32/92/385023292.db2.gz AHOUCXVGAJJSSY-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN CC(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000005371976 385056290 /nfs/dbraw/zinc/05/62/90/385056290.db2.gz ADGNEELCSHICFB-UHFFFAOYSA-N 0 0 231.255 2.312 50 0 BEAARN Cc1cc(C)cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000062133383 385066311 /nfs/dbraw/zinc/06/63/11/385066311.db2.gz KHIQGGKSVSXEDM-ZDUSSCGKSA-N 0 0 233.311 2.210 50 0 BEAARN Cc1noc(C)c1CNC(=O)c1cccs1 ZINC000061997196 385025282 /nfs/dbraw/zinc/02/52/82/385025282.db2.gz LRQRYHLGTRSKTL-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN CN(C)CC(=O)c1ccc(Br)cc1 ZINC000005342114 385027969 /nfs/dbraw/zinc/02/79/69/385027969.db2.gz ZVAAFQGDISMABS-UHFFFAOYSA-N 0 0 242.116 2.193 50 0 BEAARN CC(C)c1nsc(NC[C@H]2CCCO2)n1 ZINC000072295190 385039689 /nfs/dbraw/zinc/03/96/89/385039689.db2.gz DPOQHJSFGNRVME-MRVPVSSYSA-N 0 0 227.333 2.252 50 0 BEAARN Cc1ccc(S[C@H]2CCOC2=O)cc1 ZINC000059133978 385040522 /nfs/dbraw/zinc/04/05/22/385040522.db2.gz ATQVBQSZTNAVKI-JTQLQIEISA-N 0 0 208.282 2.403 50 0 BEAARN COC(=O)c1ccc2c(O)cccc2c1 ZINC000165384551 385115689 /nfs/dbraw/zinc/11/56/89/385115689.db2.gz LENWVHZYLOZACS-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN Cc1cnn(CC[NH2+]Cc2cccs2)c1 ZINC000053534448 385118413 /nfs/dbraw/zinc/11/84/13/385118413.db2.gz DELBUTOBGBRKDM-UHFFFAOYSA-N 0 0 221.329 2.043 50 0 BEAARN Cc1ccc(Cl)cc1S(C)(=O)=O ZINC000072233315 385131169 /nfs/dbraw/zinc/13/11/69/385131169.db2.gz WECRCSHTOLLXKC-UHFFFAOYSA-N 0 0 204.678 2.052 50 0 BEAARN Nc1ccc(O)c(NC(=O)C2CCCCC2)c1 ZINC000061722134 385135293 /nfs/dbraw/zinc/13/52/93/385135293.db2.gz WPKYEIQTHCNOBB-UHFFFAOYSA-N 0 0 234.299 2.493 50 0 BEAARN O=C(c1cncc(F)c1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000096468105 385182887 /nfs/dbraw/zinc/18/28/87/385182887.db2.gz VDYQYECSKBZRTD-QWRGUYRKSA-N 0 0 246.285 2.259 50 0 BEAARN Cn1ncc2c1CCC[C@H]2NC(=O)C1CCCC1 ZINC000032828209 385183848 /nfs/dbraw/zinc/18/38/48/385183848.db2.gz JCXANVRNCTVZAX-GFCCVEGCSA-N 0 0 247.342 2.104 50 0 BEAARN O=C(c1cncc(F)c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096468098 385185507 /nfs/dbraw/zinc/18/55/07/385185507.db2.gz VDYQYECSKBZRTD-PHIMTYICSA-N 0 0 246.285 2.259 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccn2)n1C ZINC000032836666 385187504 /nfs/dbraw/zinc/18/75/04/385187504.db2.gz NSTYZLWLSWLSPO-NSHDSACASA-N 0 0 243.310 2.220 50 0 BEAARN Cn1c(C=O)nc2c1cccc2Br ZINC000032915059 385190775 /nfs/dbraw/zinc/19/07/75/385190775.db2.gz ASNYHGBIYZZGDU-UHFFFAOYSA-N 0 0 239.072 2.148 50 0 BEAARN Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000005388419 385193433 /nfs/dbraw/zinc/19/34/33/385193433.db2.gz ROCWBKMLZYRDCC-UHFFFAOYSA-N 0 0 220.659 2.101 50 0 BEAARN O=C(Nc1ncccn1)c1cc2ccccc2o1 ZINC000003117571 385199795 /nfs/dbraw/zinc/19/97/95/385199795.db2.gz QCOXXRCLQYPPPY-UHFFFAOYSA-N 0 0 239.234 2.475 50 0 BEAARN CC(C)(C)c1ccccc1NS(C)(=O)=O ZINC000006706730 385144133 /nfs/dbraw/zinc/14/41/33/385144133.db2.gz DOTMNCWXUGWDEE-UHFFFAOYSA-N 0 0 227.329 2.356 50 0 BEAARN Cc1ccc(NC[C@@H](O)Cc2ccccc2)nc1 ZINC000096429416 385164867 /nfs/dbraw/zinc/16/48/67/385164867.db2.gz MURRIEJTTNHJLO-AWEZNQCLSA-N 0 0 242.322 2.406 50 0 BEAARN C[C@]1(CO)CCC[C@@H]1Nc1cccc(F)n1 ZINC000096427226 385166219 /nfs/dbraw/zinc/16/62/19/385166219.db2.gz RILYTQYABVNSCC-JOYOIKCWSA-N 0 0 224.279 2.184 50 0 BEAARN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC ZINC000096430551 385168100 /nfs/dbraw/zinc/16/81/00/385168100.db2.gz JQMZCEGGYKZIQL-DCAQKATOSA-N 0 0 213.321 2.106 50 0 BEAARN COc1cc(OC)cc(-c2cccc(N)n2)c1 ZINC000032507855 385169127 /nfs/dbraw/zinc/16/91/27/385169127.db2.gz XUNAICLJAZQXGV-UHFFFAOYSA-N 0 0 230.267 2.348 50 0 BEAARN CC(C)CC(=O)NC[C@H](O)c1ccccc1F ZINC000096445839 385171535 /nfs/dbraw/zinc/17/15/35/385171535.db2.gz QWKZYQVMIVFMRD-LBPRGKRZSA-N 0 0 239.290 2.021 50 0 BEAARN CNc1nc(-c2cccc(OC)c2)ncc1F ZINC000032592834 385172147 /nfs/dbraw/zinc/17/21/47/385172147.db2.gz LPLJIZXIIJLWJP-UHFFFAOYSA-N 0 0 233.246 2.333 50 0 BEAARN CC(C)(C)CC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000096450825 385173054 /nfs/dbraw/zinc/17/30/54/385173054.db2.gz MNWSFYMSUJVIJD-FZMZJTMJSA-N 0 0 241.375 2.480 50 0 BEAARN COC[C@H](C)Nc1ncnc2ccc(F)cc21 ZINC000096453173 385174948 /nfs/dbraw/zinc/17/49/48/385174948.db2.gz SJRTUFONTCVWMT-QMMMGPOBSA-N 0 0 235.262 2.216 50 0 BEAARN Cc1cc(Br)cc2nc(N)oc21 ZINC000062529383 385175436 /nfs/dbraw/zinc/17/54/36/385175436.db2.gz MDUMZYBSWZHDHS-UHFFFAOYSA-N 0 0 227.061 2.481 50 0 BEAARN Cn1cc(CNc2ncccn2)c(C(C)(C)C)n1 ZINC000187923675 385207025 /nfs/dbraw/zinc/20/70/25/385207025.db2.gz SBVORCLLFFOEQZ-UHFFFAOYSA-N 0 0 245.330 2.120 50 0 BEAARN CC(=O)O[C@@H](Cn1cccn1)c1ccccc1 ZINC000000105192 385211230 /nfs/dbraw/zinc/21/12/30/385211230.db2.gz FZBBPYRIYMDYDM-ZDUSSCGKSA-N 0 0 230.267 2.188 50 0 BEAARN Cc1ccc(C2N3CCN2CCC3)cc1 ZINC000019324740 385214637 /nfs/dbraw/zinc/21/46/37/385214637.db2.gz NZONOUNTJSIUTO-UHFFFAOYSA-N 0 0 202.301 2.015 50 0 BEAARN CC1(C)C(=O)O[C@@H](c2ccco2)C(C)(C)C1=O ZINC000000111979 385224537 /nfs/dbraw/zinc/22/45/37/385224537.db2.gz IOPPSZMTZCSCMC-VIFPVBQESA-N 0 0 236.267 2.499 50 0 biogenic BEAARN COC(=O)c1ccc(C)c(NC(=O)C2CC2)c1 ZINC000005610024 385226559 /nfs/dbraw/zinc/22/65/59/385226559.db2.gz OHXGQZUGGOOWEC-UHFFFAOYSA-N 0 0 233.267 2.130 50 0 BEAARN CNc1ccnc(N[C@H]2COC3(CCCC3)C2)n1 ZINC000065393556 385303135 /nfs/dbraw/zinc/30/31/35/385303135.db2.gz ZACZRAOEUXHKIA-SNVBAGLBSA-N 0 0 248.330 2.032 50 0 BEAARN CNc1ccnc(N[C@@H]2COC3(CCCC3)C2)n1 ZINC000065393557 385303226 /nfs/dbraw/zinc/30/32/26/385303226.db2.gz ZACZRAOEUXHKIA-JTQLQIEISA-N 0 0 248.330 2.032 50 0 BEAARN Cc1ccc(OCCN(C)Cc2ncc[nH]2)cc1 ZINC000065422120 385309353 /nfs/dbraw/zinc/30/93/53/385309353.db2.gz NHJUSOPDMCETHU-UHFFFAOYSA-N 0 0 245.326 2.229 50 0 BEAARN CCOc1ncccc1-c1ccc(C)nc1N ZINC000065467950 385315679 /nfs/dbraw/zinc/31/56/79/385315679.db2.gz OMVBQBZQGKXDKW-UHFFFAOYSA-N 0 0 229.283 2.433 50 0 BEAARN CC(C)C(=O)Nc1cc(-n2cnnc2)ccc1F ZINC000065490210 385317739 /nfs/dbraw/zinc/31/77/39/385317739.db2.gz LHPBIUBNGIPBGX-UHFFFAOYSA-N 0 0 248.261 2.001 50 0 BEAARN C[C@@H](NC(=O)[C@H]1C[C@H]1F)c1ccccc1 ZINC000034217078 385276698 /nfs/dbraw/zinc/27/66/98/385276698.db2.gz XWUIVRLWEGBPDB-DVVUODLYSA-N 0 0 207.248 2.222 50 0 BEAARN CCCc1n[nH]c(=O)n1C1CCCCCC1 ZINC000065533247 385322859 /nfs/dbraw/zinc/32/28/59/385322859.db2.gz SCMJLFGFAUOMGU-UHFFFAOYSA-N 0 0 223.320 2.419 50 0 BEAARN c1ccc(Cn2nc3ccccc3n2)cc1 ZINC000000189711 385277978 /nfs/dbraw/zinc/27/79/78/385277978.db2.gz LJVWBACGGDLQQX-UHFFFAOYSA-N 0 0 209.252 2.480 50 0 BEAARN Nc1ncnc2sc(Br)cc21 ZINC000082296449 385286189 /nfs/dbraw/zinc/28/61/89/385286189.db2.gz IFWIWFFQSVCWSR-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN O=C1COc2ccc(Cl)cc2CN1C1CC1 ZINC000065184362 385294295 /nfs/dbraw/zinc/29/42/95/385294295.db2.gz OWVHHBXIHQMHEX-UHFFFAOYSA-N 0 0 237.686 2.223 50 0 BEAARN CC(=O)c1sc(NC(=O)C2CC2)nc1C ZINC000000483930 385338200 /nfs/dbraw/zinc/33/82/00/385338200.db2.gz QGMXLWSQODHTFL-UHFFFAOYSA-N 0 0 224.285 2.003 50 0 BEAARN COC(=O)c1ccccc1NC(=O)CC(C)C ZINC000000483834 385338481 /nfs/dbraw/zinc/33/84/81/385338481.db2.gz MQTXQBOLCSEIKC-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 BEAARN CCCn1cc(C=O)c(C(F)(F)F)n1 ZINC000169725150 385416694 /nfs/dbraw/zinc/41/66/94/385416694.db2.gz OCDPJEHWRHQAED-UHFFFAOYSA-N 0 0 206.167 2.124 50 0 BEAARN O=Cc1c(F)cccc1N1CCC(F)(F)C1 ZINC000169725271 385418079 /nfs/dbraw/zinc/41/80/79/385418079.db2.gz DQCUXBXYBVQWKY-UHFFFAOYSA-N 0 0 229.201 2.484 50 0 BEAARN O=Cc1cncc(N2CCCC(F)(F)C2)c1 ZINC000169725599 385418868 /nfs/dbraw/zinc/41/88/68/385418868.db2.gz FGENILSJROPXQH-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc[nH]1 ZINC000584907094 385465631 /nfs/dbraw/zinc/46/56/31/385465631.db2.gz OMWKTPXHLRZROD-ZFWWWQNUSA-N 0 0 240.306 2.475 50 0 BEAARN CN(C[Si](C)(C)C)C(=O)c1ccccc1O ZINC000195832589 385492138 /nfs/dbraw/zinc/49/21/38/385492138.db2.gz DJOSTMKJDXPWBE-UHFFFAOYSA-N 0 0 237.375 2.342 50 0 BEAARN CC(C)(CCc1ccccc1)[NH2+]CC(=O)[O-] ZINC000157327908 385496528 /nfs/dbraw/zinc/49/65/28/385496528.db2.gz YMQWDVVHWVIHHA-UHFFFAOYSA-N 0 0 221.300 2.072 50 0 BEAARN CN(Cc1ccc(F)cc1)C(=O)c1cccnc1 ZINC000012979396 385496962 /nfs/dbraw/zinc/49/69/62/385496962.db2.gz ZGTFZLJMELEZOW-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN C/C=C\c1ccc(OCCNC(C)=O)c(OC)c1 ZINC000045022102 385507561 /nfs/dbraw/zinc/50/75/61/385507561.db2.gz GSAFHYSAZDJFGS-PLNGDYQASA-N 0 0 249.310 2.243 50 0 BEAARN Cc1cnccc1C(=O)N[C@H]1CC[C@H](F)C1 ZINC000334401511 385545275 /nfs/dbraw/zinc/54/52/75/385545275.db2.gz FQECLVWCDCUJRE-UWVGGRQHSA-N 0 0 222.263 2.010 50 0 BEAARN CNc1cc(Cl)ccc1C(=O)N(C)C ZINC000062796703 385563651 /nfs/dbraw/zinc/56/36/51/385563651.db2.gz LJOHRCDOBLKGJY-UHFFFAOYSA-N 0 0 212.680 2.084 50 0 BEAARN FC(F)(F)CCc1nc(C2CC2)n[nH]1 ZINC000065395882 385628115 /nfs/dbraw/zinc/62/81/15/385628115.db2.gz XNUAVBDMILQSDQ-UHFFFAOYSA-N 0 0 205.183 2.177 50 0 BEAARN C[C@@H](O)CCn1cnc2cc(F)c(F)cc21 ZINC000128976120 385697455 /nfs/dbraw/zinc/69/74/55/385697455.db2.gz CTZCZFZVCICBFB-SSDOTTSWSA-N 0 0 226.226 2.085 50 0 BEAARN Cc1cc(C)c2c(N)c(C(=O)N(C)C)sc2n1 ZINC000012249834 385733568 /nfs/dbraw/zinc/73/35/68/385733568.db2.gz ZBOXEORQEUDFJE-UHFFFAOYSA-N 0 0 249.339 2.197 50 0 BEAARN Fc1cc(Cl)ccc1CN1CCOCC1 ZINC000261493858 385815275 /nfs/dbraw/zinc/81/52/75/385815275.db2.gz KVFHNOQSPQVZPH-UHFFFAOYSA-N 0 0 229.682 2.311 50 0 BEAARN O=C(C/C=C/c1ccccc1F)N1CCC1 ZINC000334762927 385818043 /nfs/dbraw/zinc/81/80/43/385818043.db2.gz WXKZTEYVUXJPOE-ZZXKWVIFSA-N 0 0 219.259 2.461 50 0 BEAARN Cc1noc(C(=O)NCC(C)C)c1Cl ZINC000006738129 385833733 /nfs/dbraw/zinc/83/37/33/385833733.db2.gz IQKHPIIXWVKDQL-UHFFFAOYSA-N 0 0 216.668 2.022 50 0 BEAARN Cc1c[nH]c(CN(C)Cc2nccn2C(C)C)n1 ZINC000215484301 385844238 /nfs/dbraw/zinc/84/42/38/385844238.db2.gz SCUXZGWPWFQPJC-UHFFFAOYSA-N 0 0 247.346 2.128 50 0 BEAARN Cc1ccc(OCC(=O)Oc2ccccn2)cc1 ZINC000000787289 385898668 /nfs/dbraw/zinc/89/86/68/385898668.db2.gz LTKCOJWJRUXMGG-UHFFFAOYSA-N 0 0 243.262 2.374 50 0 BEAARN Cc1oc(C)c(C(=O)NCC2CC2)c1C ZINC000026207704 385876383 /nfs/dbraw/zinc/87/63/83/385876383.db2.gz MATMZOFVEKYXQE-UHFFFAOYSA-N 0 0 207.273 2.345 50 0 BEAARN Cc1ccccc1OC[C@@H]1CCC(=O)O1 ZINC000071773785 385877362 /nfs/dbraw/zinc/87/73/62/385877362.db2.gz XERXKPWNBSEPOC-JTQLQIEISA-N 0 0 206.241 2.079 50 0 BEAARN CSCCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000033023783 386015694 /nfs/dbraw/zinc/01/56/94/386015694.db2.gz BGKMIJJZBSSZOC-AOOOYVTPSA-N 0 0 215.362 2.244 50 0 BEAARN CC(C)(C)C(=O)CNC(=O)/C=C\c1ccco1 ZINC000222019539 386034103 /nfs/dbraw/zinc/03/41/03/386034103.db2.gz NSHQKZGDIYQAAU-SREVYHEPSA-N 0 0 235.283 2.024 50 0 BEAARN Cc1ccncc1NC(=O)[C@@]1(C)CC1(F)F ZINC000335171594 386111920 /nfs/dbraw/zinc/11/19/20/386111920.db2.gz VTYUHQNKIHSIID-SNVBAGLBSA-N 0 0 226.226 2.374 50 0 BEAARN Nc1c(F)cc(F)cc1OC(F)(F)F ZINC000263624178 386157306 /nfs/dbraw/zinc/15/73/06/386157306.db2.gz OCLXPOCUWKOYCH-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN Cc1[nH]nc2c1[C@@H](c1cccs1)CC(=O)N2 ZINC000046016722 386164302 /nfs/dbraw/zinc/16/43/02/386164302.db2.gz XFIZQBBMUZMEIP-SSDOTTSWSA-N 0 0 233.296 2.254 50 0 BEAARN CC(C)Cn1nccc1NC(=O)c1ccco1 ZINC000040047286 386164911 /nfs/dbraw/zinc/16/49/11/386164911.db2.gz DIYNNZOZKJFZNZ-UHFFFAOYSA-N 0 0 233.271 2.384 50 0 BEAARN Cc1cccc(NC(=O)c2ccoc2)n1 ZINC000012545853 386174376 /nfs/dbraw/zinc/17/43/76/386174376.db2.gz XCYJQIRWEHVZTK-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Cc1nccc(CN2CCC[C@@H]2C(F)F)n1 ZINC000334466457 386126509 /nfs/dbraw/zinc/12/65/09/386126509.db2.gz DIKJKALXBJYYPS-SNVBAGLBSA-N 0 0 227.258 2.015 50 0 BEAARN CC(C)CCN1C(=S)S[C@@H](NO)C1(C)C ZINC000001272597 386202884 /nfs/dbraw/zinc/20/28/84/386202884.db2.gz LBEPUIODXHRRTC-MRVPVSSYSA-N 0 0 248.417 2.450 50 0 BEAARN COC(=O)c1nccc(-c2ccc(F)cc2)n1 ZINC000098178381 386228073 /nfs/dbraw/zinc/22/80/73/386228073.db2.gz FBERHMNLNASCPS-UHFFFAOYSA-N 0 0 232.214 2.069 50 0 BEAARN FC(F)(F)c1cnc(-n2cncn2)c(Cl)c1 ZINC000001397405 386229313 /nfs/dbraw/zinc/22/93/13/386229313.db2.gz TWAIJPDVWWJJME-UHFFFAOYSA-N 0 0 248.595 2.335 50 0 BEAARN CC[C@@H](C)c1ccccc1OCC(N)=O ZINC000044865905 386231003 /nfs/dbraw/zinc/23/10/03/386231003.db2.gz VIWFHGAOGXJZKT-SECBINFHSA-N 0 0 207.273 2.064 50 0 BEAARN CC(C)CSCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000040456872 386200390 /nfs/dbraw/zinc/20/03/90/386200390.db2.gz GUAKJPKCIFVRPO-QWRGUYRKSA-N 0 0 245.388 2.011 50 0 BEAARN CCc1ccccc1-c1cc(OC)nc(N)n1 ZINC000032592981 386291186 /nfs/dbraw/zinc/29/11/86/386291186.db2.gz NMBFYDJLTHYUGZ-UHFFFAOYSA-N 0 0 229.283 2.297 50 0 BEAARN CCC1(CC)NC(=S)N(c2ccccc2)N1 ZINC000001302120 386348907 /nfs/dbraw/zinc/34/89/07/386348907.db2.gz MJCTZGPFYYZDSK-UHFFFAOYSA-N 0 0 235.356 2.402 50 0 BEAARN CCN(CC(C)C)C(=O)Cc1cccc(N)c1 ZINC000052922393 386368943 /nfs/dbraw/zinc/36/89/43/386368943.db2.gz DCUCWFUDMJKKOJ-UHFFFAOYSA-N 0 0 234.343 2.316 50 0 BEAARN Cc1cc(C)cc(NCc2ncnn2CCF)c1 ZINC000290518951 386446801 /nfs/dbraw/zinc/44/68/01/386446801.db2.gz MPHOMAXSDCPQGN-UHFFFAOYSA-N 0 0 248.305 2.477 50 0 BEAARN CCCCOC(=O)c1cc(O)ccc1F ZINC000521399475 386431224 /nfs/dbraw/zinc/43/12/24/386431224.db2.gz NOOJGZIIJKAMAE-UHFFFAOYSA-N 0 0 212.220 2.488 50 0 BEAARN N#CN(Cc1ccon1)c1cccc(F)c1 ZINC000335435701 386493752 /nfs/dbraw/zinc/49/37/52/386493752.db2.gz PFOUOQWXANGBPH-UHFFFAOYSA-N 0 0 217.203 2.301 50 0 BEAARN O=C1[C@H]2CCCCN2C(=S)N1c1ccccc1 ZINC000006096755 386506583 /nfs/dbraw/zinc/50/65/83/386506583.db2.gz SUDAWXPSCFXQTB-LLVKDONJSA-N 0 0 246.335 2.173 50 0 BEAARN Cc1ccnc(N2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000095408708 386519772 /nfs/dbraw/zinc/51/97/72/386519772.db2.gz AEYJDYWKNNZNCR-TXEJJXNPSA-N 0 0 217.316 2.411 50 0 BEAARN Cc1ccnc(N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000095403291 386519789 /nfs/dbraw/zinc/51/97/89/386519789.db2.gz LUDGTJPRFHDHSF-TXEJJXNPSA-N 0 0 215.300 2.187 50 0 BEAARN O=Cc1cc(O)cc(OC(F)(F)F)c1 ZINC000238707411 386525850 /nfs/dbraw/zinc/52/58/50/386525850.db2.gz JLXZPCRXCUBKFQ-UHFFFAOYSA-N 0 0 206.119 2.103 50 0 BEAARN CCONC(=O)c1csc(-c2ccccc2)n1 ZINC000012782584 386465969 /nfs/dbraw/zinc/46/59/69/386465969.db2.gz CMCKHKMGEWQDNR-UHFFFAOYSA-N 0 0 248.307 2.491 50 0 BEAARN Cc1ccnc(CN2CCC[C@@H]2C(F)F)n1 ZINC000335901213 386593253 /nfs/dbraw/zinc/59/32/53/386593253.db2.gz CBAVPFXDVASMCW-SECBINFHSA-N 0 0 227.258 2.015 50 0 BEAARN c1cc2c(ncnc2NCC[C@@H]2CCCOC2)[nH]1 ZINC000528074325 386547895 /nfs/dbraw/zinc/54/78/95/386547895.db2.gz QHENTWVNDMDLAJ-JTQLQIEISA-N 0 0 246.314 2.138 50 0 BEAARN CC(C)(C)CCNC(=O)Cc1cccc(N)c1 ZINC000123778008 386572271 /nfs/dbraw/zinc/57/22/71/386572271.db2.gz OMAGTSWHVHLNTP-UHFFFAOYSA-N 0 0 234.343 2.364 50 0 BEAARN Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1C ZINC000049669047 386645950 /nfs/dbraw/zinc/64/59/50/386645950.db2.gz WSYFGJAWQDWPAP-ZDUSSCGKSA-N 0 0 233.311 2.352 50 0 BEAARN CC(C)(C)CCC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000330987627 386734940 /nfs/dbraw/zinc/73/49/40/386734940.db2.gz LPMCQSIFABXVMU-NSHDSACASA-N 0 0 249.358 2.210 50 0 BEAARN Cc1nc[nH]c1CNC(=O)CCC(C)(C)C ZINC000267220420 386735042 /nfs/dbraw/zinc/73/50/42/386735042.db2.gz OAEVYRGVCTWUDN-UHFFFAOYSA-N 0 0 223.320 2.161 50 0 BEAARN Cn1ccnc1COc1c(F)cccc1F ZINC000334141127 386740368 /nfs/dbraw/zinc/74/03/68/386740368.db2.gz JELZCKWXMBLZKD-UHFFFAOYSA-N 0 0 224.210 2.277 50 0 BEAARN Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1 ZINC000022606298 386726831 /nfs/dbraw/zinc/72/68/31/386726831.db2.gz SEHAUHNRORTVDY-SECBINFHSA-N 0 0 230.267 2.474 50 0 BEAARN Cn1cccc1CNc1nnc(C(C)(C)C)o1 ZINC000185891109 386747112 /nfs/dbraw/zinc/74/71/12/386747112.db2.gz MUUASTOCDYGLCW-UHFFFAOYSA-N 0 0 234.303 2.318 50 0 BEAARN Cc1noc(C)c1[C@H]1CC(=O)Nc2c1cnn2C ZINC000049548994 386772249 /nfs/dbraw/zinc/77/22/49/386772249.db2.gz WQTZQBMDHOLGQX-QMMMGPOBSA-N 0 0 246.270 2.149 50 0 BEAARN COc1ncccc1C(=O)NC1CCCCC1 ZINC000012937429 386777623 /nfs/dbraw/zinc/77/76/23/386777623.db2.gz IGUSSOCBATWFDB-UHFFFAOYSA-N 0 0 234.299 2.153 50 0 BEAARN CC(=O)N[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000012884079 386815325 /nfs/dbraw/zinc/81/53/25/386815325.db2.gz BQOYCULMRNFJEI-JTQLQIEISA-N 0 0 248.326 2.273 50 0 BEAARN COc1ncccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000032755227 386815876 /nfs/dbraw/zinc/81/58/76/386815876.db2.gz ZJERAJQFPKEIEM-GHMZBOCLSA-N 0 0 248.326 2.208 50 0 BEAARN Cc1cc(C(N)=O)ccc1NCC1CCC1 ZINC000087584537 386873170 /nfs/dbraw/zinc/87/31/70/386873170.db2.gz DENGXCHWFHYCFC-UHFFFAOYSA-N 0 0 218.300 2.306 50 0 BEAARN CC(F)(F)CC(=O)NC1CC(C)(F)C1 ZINC000334873797 386935584 /nfs/dbraw/zinc/93/55/84/386935584.db2.gz UZNWXRSUDQGBMY-UHFFFAOYSA-N 0 0 209.211 2.039 50 0 BEAARN Cc1ccc(C(=O)NCc2ccccc2F)cn1 ZINC000032895858 386947968 /nfs/dbraw/zinc/94/79/68/386947968.db2.gz LOKDHKRDEGVYNB-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1ccc(OC[C@H]2CCCOC2)nc1 ZINC000334914018 386987100 /nfs/dbraw/zinc/98/71/00/386987100.db2.gz ABYSQUBYNSSYGV-NSHDSACASA-N 0 0 207.273 2.195 50 0 BEAARN CC(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000049706430 387006150 /nfs/dbraw/zinc/00/61/50/387006150.db2.gz IUEKDCKTWUHJHR-UHFFFAOYSA-N 0 0 233.311 2.385 50 0 BEAARN CC(C)(C)c1csc(CN2CCOCC2)n1 ZINC000154123134 386951964 /nfs/dbraw/zinc/95/19/64/386951964.db2.gz NNPJSURQGAUSNQ-UHFFFAOYSA-N 0 0 240.372 2.273 50 0 BEAARN CSCC[C@H](C)N(C)c1ccnc(C)n1 ZINC000074770147 387034754 /nfs/dbraw/zinc/03/47/54/387034754.db2.gz MSZQJHRZKKJWOY-VIFPVBQESA-N 0 0 225.361 2.363 50 0 BEAARN Cc1csc(=O)n1Cc1nc2ccccc2o1 ZINC000095965164 387010999 /nfs/dbraw/zinc/01/09/99/387010999.db2.gz QAOXFDBJCMCJBD-UHFFFAOYSA-N 0 0 246.291 2.408 50 0 BEAARN O=C(c1nc(Br)cs1)C1CC1 ZINC000307567409 387073624 /nfs/dbraw/zinc/07/36/24/387073624.db2.gz QLXDEZOJJMCKDM-UHFFFAOYSA-N 0 0 232.102 2.498 50 0 BEAARN Cc1cccnc1NC(=O)[C@@]1(C)CC1(F)F ZINC000334995630 387086664 /nfs/dbraw/zinc/08/66/64/387086664.db2.gz RDZYQCFBQPGGMQ-SNVBAGLBSA-N 0 0 226.226 2.374 50 0 BEAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc[nH]1 ZINC000067858887 387098318 /nfs/dbraw/zinc/09/83/18/387098318.db2.gz VBZGPUQHIIQSRV-WCQYABFASA-N 0 0 226.279 2.301 50 0 BEAARN CC1(C)Oc2ccc3ccc(=O)oc3c2CC1=O ZINC000000225561 322808965 /nfs/dbraw/zinc/80/89/65/322808965.db2.gz UKSKSIFYCHCZDG-UHFFFAOYSA-N 0 0 244.246 2.076 50 0 biogenic,in-vitro BEAARN CO[C@@H](CNC(C)=O)c1ccccc1Cl ZINC000121894799 387118809 /nfs/dbraw/zinc/11/88/09/387118809.db2.gz HQIBPIATQAMDKE-NSHDSACASA-N 0 0 227.691 2.164 50 0 BEAARN CC(=O)Oc1ccc(N)c2ccccc12 ZINC000096027015 387153929 /nfs/dbraw/zinc/15/39/29/387153929.db2.gz RQKMOUJASOVRPY-UHFFFAOYSA-N 0 0 201.225 2.347 50 0 BEAARN OC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000536952014 387163468 /nfs/dbraw/zinc/16/34/68/387163468.db2.gz ANZAULJOYFYKLZ-WCBMZHEXSA-N 0 0 232.201 2.161 50 0 BEAARN CN(Cc1cccn1C)C(=O)C1CCCC1 ZINC000064553947 387219643 /nfs/dbraw/zinc/21/96/43/387219643.db2.gz WCCUQCOZEPTGSI-UHFFFAOYSA-N 0 0 220.316 2.174 50 0 BEAARN CCc1c(C)nc2ncnn2c1NC1CCCC1 ZINC000064555406 387220872 /nfs/dbraw/zinc/22/08/72/387220872.db2.gz MDNIVNQFABHIRI-UHFFFAOYSA-N 0 0 245.330 2.350 50 0 BEAARN CC(=O)N1CCc2c(c3ccccc3n2C)C1 ZINC000035970936 387267108 /nfs/dbraw/zinc/26/71/08/387267108.db2.gz HAVLBZHJOFBXLS-UHFFFAOYSA-N 0 0 228.295 2.083 50 0 BEAARN CC1(CCC[C@H]2C=CC(=O)C2)OCCO1 ZINC000043763056 387273588 /nfs/dbraw/zinc/27/35/88/387273588.db2.gz BCKKHNNGJHNESD-JTQLQIEISA-N 0 0 210.273 2.065 50 0 BEAARN CC1(C)C[C@@]23C=CC=C[C@]2(C1)CS(=O)(=O)C3 ZINC000045028046 387274257 /nfs/dbraw/zinc/27/42/57/387274257.db2.gz WJLSGUDSVNFJQX-BETUJISGSA-N 0 0 238.352 2.334 50 0 BEAARN CCOC(=O)C1=C(O)[C@@H](CC(C)C)CC1 ZINC000043199013 387274267 /nfs/dbraw/zinc/27/42/67/387274267.db2.gz JPMSKNVEMSYIPT-ZJUUUORDSA-N 0 0 212.289 2.191 50 0 BEAARN CCCCCCn1c(N)c2ccccc2nc1=O ZINC000102623364 387281104 /nfs/dbraw/zinc/28/11/04/387281104.db2.gz BAOWLWJQKJHAAC-UHFFFAOYSA-N 0 0 245.326 2.389 50 0 BEAARN Cc1cnc(NC(=O)c2ccccc2F)o1 ZINC000336459097 387285619 /nfs/dbraw/zinc/28/56/19/387285619.db2.gz JKHYMXCXZQYGHG-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN CC(C)=CC(=O)NC(=S)NC1CCCCC1 ZINC000071785212 387288556 /nfs/dbraw/zinc/28/85/56/387288556.db2.gz BUMSQTGQEWSDSX-UHFFFAOYSA-N 0 0 240.372 2.276 50 0 BEAARN Cc1ccc(CCC(=O)NCC(C)(C)O)c(C)c1 ZINC000075235996 387309186 /nfs/dbraw/zinc/30/91/86/387309186.db2.gz LXSJSFYSGKCFDP-UHFFFAOYSA-N 0 0 249.354 2.123 50 0 BEAARN Cc1cc(C(=O)N[C@@H]2CCCc3occc32)[nH]n1 ZINC000089568625 387354524 /nfs/dbraw/zinc/35/45/24/387354524.db2.gz LGHLVJKBQXNNCK-SNVBAGLBSA-N 0 0 245.282 2.119 50 0 BEAARN C=Cn1ccnc1[C@H](O)c1ccccc1 ZINC000075250057 387372962 /nfs/dbraw/zinc/37/29/62/387372962.db2.gz RSUQCWIBOUYLFI-LLVKDONJSA-N 0 0 200.241 2.065 50 0 BEAARN O=C1OCC=NN1c1ccc(Cl)cc1 ZINC000075251564 387378776 /nfs/dbraw/zinc/37/87/76/387378776.db2.gz WUVZMKXZRWZCBG-UHFFFAOYSA-N 0 0 210.620 2.282 50 0 BEAARN Nc1ccc(C(F)(F)C(F)(F)F)nc1 ZINC000169798389 387323888 /nfs/dbraw/zinc/32/38/88/387323888.db2.gz QXSWAUZYRDIPMX-UHFFFAOYSA-N 0 0 212.121 2.318 50 0 BEAARN CC(=O)O[C@@H]1[C@@H]2C[C@@H]3CC[C@@H]4CS[C@@H]1[C@@H]4[C@@H]23 ZINC000230113693 387328393 /nfs/dbraw/zinc/32/83/93/387328393.db2.gz BONMBFVZKGKDFQ-OOUMKPCDSA-N 0 0 238.352 2.326 50 0 BEAARN CCOC(=O)[C@H]1[C@@H]2Cc3ccccc3C[C@@H]21 ZINC000253611217 387343625 /nfs/dbraw/zinc/34/36/25/387343625.db2.gz LCQQWAGZZKIFIY-ITGUQSILSA-N 0 0 216.280 2.211 50 0 BEAARN C/C=C/C(=O)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575612762 387434451 /nfs/dbraw/zinc/43/44/51/387434451.db2.gz MNABXDZYVRJAHD-OHVSUOQFSA-N 0 0 246.310 2.028 50 0 BEAARN COC(CSc1ccc(Cl)cn1)OC ZINC000085351754 387453727 /nfs/dbraw/zinc/45/37/27/387453727.db2.gz VLCZIBJIKKOCJV-UHFFFAOYSA-N 0 0 233.720 2.446 50 0 BEAARN Cc1cnc(C(=O)N(C)CC2CCCCC2)cn1 ZINC000032753013 387455023 /nfs/dbraw/zinc/45/50/23/387455023.db2.gz UJYSWVIJMLUIGY-UHFFFAOYSA-N 0 0 247.342 2.437 50 0 BEAARN Cc1ccc(CNC(=O)NCC2CC2)cc1F ZINC000012985369 387386513 /nfs/dbraw/zinc/38/65/13/387386513.db2.gz WHSPUEWAWBMIFV-UHFFFAOYSA-N 0 0 236.290 2.343 50 0 BEAARN Cc1ccoc1C(=O)NCC(F)(F)C(F)F ZINC000191378318 387388799 /nfs/dbraw/zinc/38/87/99/387388799.db2.gz GTCVCWUAXNLFSJ-UHFFFAOYSA-N 0 0 239.168 2.218 50 0 BEAARN Cc1oncc1CNC(=O)/C=C/c1cccs1 ZINC000575608088 387396459 /nfs/dbraw/zinc/39/64/59/387396459.db2.gz INSZTWGTXAFLRD-SNAWJCMRSA-N 0 0 248.307 2.374 50 0 BEAARN CN(CC1CCOCC1)C(=O)C1CCCC1 ZINC000074915262 387407538 /nfs/dbraw/zinc/40/75/38/387407538.db2.gz ZQFLQDXDUUBFJY-UHFFFAOYSA-N 0 0 225.332 2.062 50 0 BEAARN O=C(/C=C/c1ccco1)NCCc1ccccn1 ZINC000040160955 387415183 /nfs/dbraw/zinc/41/51/83/387415183.db2.gz ZIZJXMRCJWRQOF-VOTSOKGWSA-N 0 0 242.278 2.047 50 0 BEAARN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)[O-] ZINC000265259938 387508152 /nfs/dbraw/zinc/50/81/52/387508152.db2.gz QNVYZLUZNZVZBH-YPMHNXCESA-N 0 0 233.311 2.339 50 0 BEAARN c1[nH]nnc1S[C@@H]1CCOC2(CCCC2)C1 ZINC000521395159 387514852 /nfs/dbraw/zinc/51/48/52/387514852.db2.gz RVSKDTXUNHYMEC-SECBINFHSA-N 0 0 239.344 2.389 50 0 BEAARN C[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCCO1 ZINC000016972433 387518225 /nfs/dbraw/zinc/51/82/25/387518225.db2.gz JBKLNOYKBRTWAA-PWSUYJOCSA-N 0 0 240.347 2.186 50 0 BEAARN COC(C)(C)C(=O)Nc1ccc(F)cc1F ZINC000223991328 387538280 /nfs/dbraw/zinc/53/82/80/387538280.db2.gz ARVLTJCAVCLDOY-UHFFFAOYSA-N 0 0 229.226 2.328 50 0 BEAARN CC(C)=CC/C=C1/CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000100742303 387472814 /nfs/dbraw/zinc/47/28/14/387472814.db2.gz XPGHNXMVHVOVHW-XRHVUQDBSA-N 0 0 233.311 2.342 50 0 biogenic BEAARN CC(C)(C)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000120771541 387476039 /nfs/dbraw/zinc/47/60/39/387476039.db2.gz IWGWXTOCZGTGCU-GFCCVEGCSA-N 0 0 248.326 2.107 50 0 BEAARN CC(C)(C)CC(=O)NCCCc1cnoc1 ZINC000245060665 387486064 /nfs/dbraw/zinc/48/60/64/387486064.db2.gz PUIUQZCORIXSFP-UHFFFAOYSA-N 0 0 224.304 2.160 50 0 BEAARN Cc1ccc(CNc2nccn3cnnc23)cc1 ZINC000075496587 387488447 /nfs/dbraw/zinc/48/84/47/387488447.db2.gz MJSXGIDURVSIGD-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN CN(CC1(O)CCCC1)c1ccncc1Cl ZINC000104328714 387491210 /nfs/dbraw/zinc/49/12/10/387491210.db2.gz PUSAXGOZPYTYTN-UHFFFAOYSA-N 0 0 240.734 2.476 50 0 BEAARN CCCOc1cccc(-c2nc(OC)n(C)n2)c1 ZINC000426619955 387582461 /nfs/dbraw/zinc/58/24/61/387582461.db2.gz BHCRAHSWYKXKHS-UHFFFAOYSA-N 0 0 247.298 2.280 50 0 BEAARN C[C@@H](C(=O)NCC1=CCCCC1)n1ccnc1 ZINC000426656952 387584777 /nfs/dbraw/zinc/58/47/77/387584777.db2.gz MTIDCRAUTYSRHD-NSHDSACASA-N 0 0 233.315 2.061 50 0 BEAARN COc1ccc(-c2cncc(C(C)(C)O)c2)cn1 ZINC000426674324 387584818 /nfs/dbraw/zinc/58/48/18/387584818.db2.gz VGAJNELBKVNZFU-UHFFFAOYSA-N 0 0 244.294 2.380 50 0 BEAARN Cc1cc(-c2ccc(N3CCCC3)nn2)ccn1 ZINC000426698217 387586143 /nfs/dbraw/zinc/58/61/43/387586143.db2.gz JRJAFXFDZRZQSA-UHFFFAOYSA-N 0 0 240.310 2.447 50 0 BEAARN COc1ccc(-c2ccc3nc(C)nn3c2)cn1 ZINC000426690298 387586591 /nfs/dbraw/zinc/58/65/91/387586591.db2.gz NCBNPDJBOODLAN-UHFFFAOYSA-N 0 0 240.266 2.108 50 0 BEAARN Cc1cccc2c(-c3cnn(CCO)c3)c[nH]c21 ZINC000426734224 387589198 /nfs/dbraw/zinc/58/91/98/387589198.db2.gz CWNWTJGIBKAPMY-UHFFFAOYSA-N 0 0 241.294 2.332 50 0 BEAARN Nc1nnc(-c2ccc(Br)o2)s1 ZINC000006668024 387595844 /nfs/dbraw/zinc/59/58/44/387595844.db2.gz NTWAGQBNPPBNON-UHFFFAOYSA-N 0 0 246.089 2.143 50 0 BEAARN Fc1ccc(CCNc2ncccn2)cc1F ZINC000302744699 387573615 /nfs/dbraw/zinc/57/36/15/387573615.db2.gz DWGAJCURPWJNJV-UHFFFAOYSA-N 0 0 235.237 2.409 50 0 BEAARN Cc1cc(-c2ccc(NC(C)C)nn2)ccn1 ZINC000426501763 387576439 /nfs/dbraw/zinc/57/64/39/387576439.db2.gz MRANQUJZGWJTNR-UHFFFAOYSA-N 0 0 228.299 2.089 50 0 BEAARN Fc1cnc(-c2ccncc2)nc1N1CCCC1 ZINC000426523243 387578421 /nfs/dbraw/zinc/57/84/21/387578421.db2.gz UFEBLHSYOVVWPI-UHFFFAOYSA-N 0 0 244.273 2.278 50 0 BEAARN CCC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000000290880 387688740 /nfs/dbraw/zinc/68/87/40/387688740.db2.gz RCKXLENLXBXNNY-UHFFFAOYSA-N 0 0 203.245 2.220 50 0 BEAARN Cn1nnc2sc(-c3ccccc3)cc2c1=O ZINC000001785053 387779337 /nfs/dbraw/zinc/77/93/37/387779337.db2.gz YWGNIQBACVXOFE-UHFFFAOYSA-N 0 0 243.291 2.057 50 0 BEAARN CS[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000064034365 387786578 /nfs/dbraw/zinc/78/65/78/387786578.db2.gz RFFVIHRYBTXYFL-QMMMGPOBSA-N 0 0 217.334 2.359 50 0 BEAARN C[C@@H]1C[C@H](Sc2nccn2C2CC2)C(=O)O1 ZINC000040489848 387788503 /nfs/dbraw/zinc/78/85/03/387788503.db2.gz UQKIMSPKGOXMOV-APPZFPTMSA-N 0 0 238.312 2.014 50 0 BEAARN O=c1[nH]ncc(NCCC2=CCCC2)c1Cl ZINC000157443367 387796955 /nfs/dbraw/zinc/79/69/55/387796955.db2.gz NDUJXMMAURQUKC-UHFFFAOYSA-N 0 0 239.706 2.336 50 0 BEAARN O=C(CC(F)(F)F)NC(C1CC1)C1CC1 ZINC000040490345 387797050 /nfs/dbraw/zinc/79/70/50/387797050.db2.gz XTPIXBUBQXTDIJ-UHFFFAOYSA-N 0 0 221.222 2.244 50 0 BEAARN C[C@]12CC(=O)NC1=Nc1ccccc1S2 ZINC000020030944 387758276 /nfs/dbraw/zinc/75/82/76/387758276.db2.gz GMKZPHBKJNFYGZ-NSHDSACASA-N 0 0 218.281 2.101 50 0 BEAARN Cc1cc(C)c2c(c1)c(C)cc1nnnn12 ZINC000000087181 177883534 /nfs/dbraw/zinc/88/35/34/177883534.db2.gz KDLJROGXNGODEI-UHFFFAOYSA-N 0 0 212.256 2.203 50 0 BEAARN Cc1cc(C)c([C@H]([NH3+])CC(=O)[O-])cc1C ZINC000002533988 177875110 /nfs/dbraw/zinc/87/51/10/177875110.db2.gz BSNQNMBWAZLROU-LLVKDONJSA-N 0 0 207.273 2.086 50 0 BEAARN Cc1cc(C)c(C)c(OC(=O)N2CCOCC2)c1 ZINC000000152074 177852212 /nfs/dbraw/zinc/85/22/12/177852212.db2.gz VJJJVHDORAPSRY-UHFFFAOYSA-N 0 0 249.310 2.443 50 0 BEAARN CC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000019505548 387917091 /nfs/dbraw/zinc/91/70/91/387917091.db2.gz BMSVXURYDSJPDJ-GZMMTYOYSA-N 0 0 217.268 2.484 50 0 BEAARN Cc1cc(N2CCC[C@H]2c2cn[nH]c2)nc(C)n1 ZINC000521398500 387924269 /nfs/dbraw/zinc/92/42/69/387924269.db2.gz KLBUIPQQBYCPFO-LBPRGKRZSA-N 0 0 243.314 2.158 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[nH]cn1 ZINC000241644222 387937512 /nfs/dbraw/zinc/93/75/12/387937512.db2.gz PPIAKDORZGKLCZ-JFGNBEQYSA-N 0 0 233.315 2.203 50 0 BEAARN CCCCCCN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000225232158 387941170 /nfs/dbraw/zinc/94/11/70/387941170.db2.gz JLWBFAJMRNRYPI-XUJVJEKNSA-N 0 0 231.405 2.408 50 0 BEAARN CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004257981 322812764 /nfs/dbraw/zinc/81/27/64/322812764.db2.gz ZJVDVQCEHOZULS-UHFFFAOYSA-N 0 0 207.317 2.339 50 0 BEAARN Cc1n[nH]cc1C[NH2+]CCc1cccc(F)c1 ZINC000036901765 388006089 /nfs/dbraw/zinc/00/60/89/388006089.db2.gz PRPXSJNOAHACQI-UHFFFAOYSA-N 0 0 233.290 2.190 50 0 BEAARN CC[C@@H](C(=O)N[C@@H](CC)CCO)c1ccccc1 ZINC000084733324 388080710 /nfs/dbraw/zinc/08/07/10/388080710.db2.gz QPVWTYMPZPFXNL-UONOGXRCSA-N 0 0 249.354 2.457 50 0 BEAARN Cc1cc(C)n(CCC(=O)NCCC(C)C)n1 ZINC000065554703 388085004 /nfs/dbraw/zinc/08/50/04/388085004.db2.gz FOFGKUZBLISVEY-UHFFFAOYSA-N 0 0 237.347 2.052 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N1CCC[C@H](C)C1 ZINC000042377267 388092880 /nfs/dbraw/zinc/09/28/80/388092880.db2.gz HXAONISEVMJLBU-RYUDHWBXSA-N 0 0 227.348 2.306 50 0 BEAARN COC(=O)c1cnc(/C=C/c2cccnc2)s1 ZINC000065608272 388146434 /nfs/dbraw/zinc/14/64/34/388146434.db2.gz IFDVAQCIHPQLRQ-SNAWJCMRSA-N 0 0 246.291 2.495 50 0 BEAARN O=C(NC[C@@H]1CCCO1)[C@H]1C[C@@H]1c1ccccc1 ZINC000001323646 256510357 /nfs/dbraw/zinc/51/03/57/256510357.db2.gz ZVXNHYZKXBMGBJ-MJBXVCDLSA-N 0 0 245.322 2.085 50 0 BEAARN Clc1cnn(CCO[C@H]2CCCCO2)c1 ZINC000170616320 388258075 /nfs/dbraw/zinc/25/80/75/388258075.db2.gz OWLZWQZKDOARIX-JTQLQIEISA-N 0 0 230.695 2.080 50 0 BEAARN Cc1cc(C(=O)N2CCn3cccc3[C@H]2C)no1 ZINC000057308406 177767097 /nfs/dbraw/zinc/76/70/97/177767097.db2.gz ILSXMVZPMPPOEJ-SNVBAGLBSA-N 0 0 245.282 2.002 50 0 BEAARN CCOc1cc(NCc2cncc(C)c2)ncn1 ZINC000170598694 388240278 /nfs/dbraw/zinc/24/02/78/388240278.db2.gz RKESKGAQAHMUML-UHFFFAOYSA-N 0 0 244.298 2.191 50 0 BEAARN C[C@@H](Nc1ncnc2c1cnn2C)c1ccco1 ZINC000014266518 388291727 /nfs/dbraw/zinc/29/17/27/388291727.db2.gz VPGQDYPJSSEPRN-MRVPVSSYSA-N 0 0 243.270 2.129 50 0 BEAARN O=C1OCCN1CCSc1ccccc1F ZINC000071186229 388272413 /nfs/dbraw/zinc/27/24/13/388272413.db2.gz MJWOPBKLDMYHFJ-UHFFFAOYSA-N 0 0 241.287 2.370 50 0 BEAARN CC/C=C(\C)C(=O)NCc1nc(C)cs1 ZINC000056681137 388350973 /nfs/dbraw/zinc/35/09/73/388350973.db2.gz ZHCUWOGHDHDZLB-VMPITWQZSA-N 0 0 224.329 2.424 50 0 BEAARN CC/C=C(/C)C(=O)NCc1cn2ccccc2n1 ZINC000056665392 388351372 /nfs/dbraw/zinc/35/13/72/388351372.db2.gz DNTHUIYXGWNXJF-WDZFZDKYSA-N 0 0 243.310 2.307 50 0 BEAARN CC(=O)c1c(C)c2c(C)cc(O)cc2oc1=O ZINC000057312273 388356149 /nfs/dbraw/zinc/35/61/49/388356149.db2.gz YXPYHWXXSBFXOJ-UHFFFAOYSA-N 0 0 232.235 2.318 50 0 BEAARN CCOc1cc(NCc2nc(C)c(C)o2)ncn1 ZINC000122101328 388356092 /nfs/dbraw/zinc/35/60/92/388356092.db2.gz LFXAGDMASMGSFY-UHFFFAOYSA-N 0 0 248.286 2.092 50 0 BEAARN CCS(=O)(=O)N(Cc1ccccc1)C(C)C ZINC000057466035 388360248 /nfs/dbraw/zinc/36/02/48/388360248.db2.gz DKRGPRRJLCZCKB-UHFFFAOYSA-N 0 0 241.356 2.247 50 0 BEAARN O=C(c1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000057553818 388362446 /nfs/dbraw/zinc/36/24/46/388362446.db2.gz VPUSPNRMFRHMTJ-UHFFFAOYSA-N 0 0 241.294 2.108 50 0 BEAARN Cc1ccc(C(=O)Nc2ccn(C)n2)c(C)c1 ZINC000057536158 388362653 /nfs/dbraw/zinc/36/26/53/388362653.db2.gz HZSDPECNJUZKCC-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN CC(C)CCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000057568156 388363658 /nfs/dbraw/zinc/36/36/58/388363658.db2.gz PIOWEZVTJPIFNW-ZDUSSCGKSA-N 0 0 233.311 2.152 50 0 BEAARN O=C(/C=C/c1cccs1)NCC(F)(F)F ZINC000038488685 388405149 /nfs/dbraw/zinc/40/51/49/388405149.db2.gz FNZLCLGMKLPMIT-ONEGZZNKSA-N 0 0 235.230 2.440 50 0 BEAARN COc1cc(NC(=O)NC2CC2)ccc1F ZINC000162917213 388366032 /nfs/dbraw/zinc/36/60/32/388366032.db2.gz VXCHEOVGGGKUEX-UHFFFAOYSA-N 0 0 224.235 2.118 50 0 BEAARN c1[nH]nc2c1[C@H](c1nc(C3CC3)no1)CCC2 ZINC000089764906 388367338 /nfs/dbraw/zinc/36/73/38/388367338.db2.gz YTZDEMMSQVITEZ-MRVPVSSYSA-N 0 0 230.271 2.138 50 0 BEAARN c1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc1 ZINC000089883881 388370422 /nfs/dbraw/zinc/37/04/22/388370422.db2.gz WSGJFAJTPSMXBT-IJLUTSLNSA-N 0 0 218.300 2.451 50 0 BEAARN CCCCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000003306769 388371672 /nfs/dbraw/zinc/37/16/72/388371672.db2.gz ZBIRIFNPWDVHBV-FNORWQNLSA-N 0 0 247.294 2.345 50 0 BEAARN Cc1ccc(O[C@@H](C)C(=O)NC2CC2)cc1 ZINC000008499631 388405468 /nfs/dbraw/zinc/40/54/68/388405468.db2.gz FMMLMLMEESLNKM-JTQLQIEISA-N 0 0 219.284 2.041 50 0 BEAARN Cc1ccc(C)c(S[C@@H](C)C(N)=O)c1 ZINC000003499246 388381103 /nfs/dbraw/zinc/38/11/03/388381103.db2.gz QKTMMDKRXKNHSN-VIFPVBQESA-N 0 0 209.314 2.269 50 0 BEAARN CC(=O)c1c(N)nc(C)nc1-c1ccccc1 ZINC000003878593 388388543 /nfs/dbraw/zinc/38/85/43/388388543.db2.gz KMQBRAZJMZPJDS-UHFFFAOYSA-N 0 0 227.267 2.237 50 0 BEAARN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc[nH]1 ZINC000067333818 388406304 /nfs/dbraw/zinc/40/63/04/388406304.db2.gz LANFVERRUQCIJX-DGCLKSJQSA-N 0 0 244.269 2.440 50 0 BEAARN Cc1ccn2cc(C(=O)N3CCCCC3)nc2c1 ZINC000008280866 388403438 /nfs/dbraw/zinc/40/34/38/388403438.db2.gz HXAGFNLRAJEPIG-UHFFFAOYSA-N 0 0 243.310 2.269 50 0 BEAARN Cc1n[nH]cc1CNC(=O)[C@H](C)c1cccs1 ZINC000170634401 388403666 /nfs/dbraw/zinc/40/36/66/388403666.db2.gz QYUFKBCEZQEMAI-MRVPVSSYSA-N 0 0 249.339 2.200 50 0 BEAARN COC(=O)c1ccc(N[C@@H]2CCCC[C@H]2C)nn1 ZINC000037527387 388453081 /nfs/dbraw/zinc/45/30/81/388453081.db2.gz WHKNFVUBXVJIEX-NXEZZACHSA-N 0 0 249.314 2.254 50 0 BEAARN CCOC[C@@H](O)COc1ccc(C)cc1C ZINC000193823682 388465969 /nfs/dbraw/zinc/46/59/69/388465969.db2.gz GUBYHAYQENWXAE-GFCCVEGCSA-N 0 0 224.300 2.080 50 0 BEAARN CC(=O)c1cccc(NC(=O)C2CCOCC2)c1 ZINC000008719185 388407372 /nfs/dbraw/zinc/40/73/72/388407372.db2.gz OJFXJMJSNHREIA-UHFFFAOYSA-N 0 0 247.294 2.254 50 0 BEAARN C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)C1CC1 ZINC000039527614 388409587 /nfs/dbraw/zinc/40/95/87/388409587.db2.gz LZWVPAOYWQMHDQ-ZWNOBZJWSA-N 0 0 245.322 2.152 50 0 BEAARN CCONC(=O)c1sc(C(C)C)nc1C ZINC000040093850 388411833 /nfs/dbraw/zinc/41/18/33/388411833.db2.gz RJWVLQMHUYYXEH-UHFFFAOYSA-N 0 0 228.317 2.256 50 0 BEAARN CCONC(=O)CCc1ccc(Cl)cc1 ZINC000040049100 388411866 /nfs/dbraw/zinc/41/18/66/388411866.db2.gz UDMBXQZUBHZITC-UHFFFAOYSA-N 0 0 227.691 2.340 50 0 BEAARN C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C1CC1 ZINC000040040038 388411913 /nfs/dbraw/zinc/41/19/13/388411913.db2.gz QJQWXCIPMQAMQT-MDFVCYEDSA-N 0 0 249.354 2.297 50 0 BEAARN O=C(Nc1onc2c1CCCC2)c1ccco1 ZINC000008976558 388412471 /nfs/dbraw/zinc/41/24/71/388412471.db2.gz LALDBUKQWJWMEB-UHFFFAOYSA-N 0 0 232.239 2.399 50 0 BEAARN Cc1nc(C(=O)OC[C@H]2CCCCO2)cs1 ZINC000069315094 388414506 /nfs/dbraw/zinc/41/45/06/388414506.db2.gz QJYJRUWZWXMCHL-SECBINFHSA-N 0 0 241.312 2.177 50 0 BEAARN Cn1cccc1C(=O)N[C@@H]1CCCc2occc21 ZINC000069351049 388415006 /nfs/dbraw/zinc/41/50/06/388415006.db2.gz UYWOVXVJKMPZQJ-LLVKDONJSA-N 0 0 244.294 2.426 50 0 BEAARN CN(C)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000040460946 388416604 /nfs/dbraw/zinc/41/66/04/388416604.db2.gz CYBVLQJEPLYOKG-UHFFFAOYSA-N 0 0 245.322 2.226 50 0 BEAARN CC(C)CSCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040456873 388416757 /nfs/dbraw/zinc/41/67/57/388416757.db2.gz GUAKJPKCIFVRPO-GHMZBOCLSA-N 0 0 245.388 2.011 50 0 BEAARN CC(C)C(=O)NCCCOC1CCCCC1 ZINC000040476631 388417454 /nfs/dbraw/zinc/41/74/54/388417454.db2.gz UDTNVFIMZSIPLC-UHFFFAOYSA-N 0 0 227.348 2.498 50 0 BEAARN COC[C@@H](C)NC(=O)CCc1cccc(C)c1 ZINC000040477339 388417455 /nfs/dbraw/zinc/41/74/55/388417455.db2.gz VVCDNNDUSGFMOF-GFCCVEGCSA-N 0 0 235.327 2.079 50 0 BEAARN C[C@H](NC(=O)Nc1nccs1)c1ccncc1 ZINC000040490193 388417952 /nfs/dbraw/zinc/41/79/52/388417952.db2.gz HTAWRRDCFALKBG-QMMMGPOBSA-N 0 0 248.311 2.421 50 0 BEAARN CCC[C@H](C)C(=O)NCc1cccnc1N(C)C ZINC000040534590 388420967 /nfs/dbraw/zinc/42/09/67/388420967.db2.gz LNSXWPXVVDSIQC-NSHDSACASA-N 0 0 249.358 2.200 50 0 BEAARN CC(C)CNC(=O)CCn1ncc2ccccc21 ZINC000040757845 388426159 /nfs/dbraw/zinc/42/61/59/388426159.db2.gz PXOYRHMPIJISDF-UHFFFAOYSA-N 0 0 245.326 2.199 50 0 BEAARN CON(C)C(=O)c1cccc(OCC(C)C)c1 ZINC000070153530 388433760 /nfs/dbraw/zinc/43/37/60/388433760.db2.gz KSWRVQHEVYLXNZ-UHFFFAOYSA-N 0 0 237.299 2.355 50 0 BEAARN CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000041173401 388433938 /nfs/dbraw/zinc/43/39/38/388433938.db2.gz IFMUENAFBDIBOI-LBPRGKRZSA-N 0 0 239.702 2.260 50 0 BEAARN Cn1ncc2c1ncnc2Nc1ccccc1F ZINC000009532052 388436678 /nfs/dbraw/zinc/43/66/78/388436678.db2.gz GNJJTUVOGUPYRF-UHFFFAOYSA-N 0 0 243.245 2.246 50 0 BEAARN O=C1N[C@@H](c2cccc(O)c2)Nc2ccccc21 ZINC000009609864 388438879 /nfs/dbraw/zinc/43/88/79/388438879.db2.gz ICEUSXUWDXWTRZ-ZDUSSCGKSA-N 0 0 240.262 2.246 50 0 BEAARN Fc1cccnc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000195575522 388495792 /nfs/dbraw/zinc/49/57/92/388495792.db2.gz MTIQZORFXGLLSD-NWDGAFQWSA-N 0 0 236.290 2.369 50 0 BEAARN CSC1=N[C@]2(C[C@@H]2c2ccccc2)C(=O)N1C ZINC000006018485 256794542 /nfs/dbraw/zinc/79/45/42/256794542.db2.gz UFKUQROJBMEUTQ-MFKMUULPSA-N 0 0 246.335 2.104 50 0 BEAARN Cc1cc(C)nc(NC[C@H](O)c2ccsc2)n1 ZINC000218925437 388586897 /nfs/dbraw/zinc/58/68/97/388586897.db2.gz NOVXACYLTZQMPC-NSHDSACASA-N 0 0 249.339 2.300 50 0 BEAARN Cc1cccc(N2CC[C@H]3OCCC[C@H]3C2)n1 ZINC000253370002 388588887 /nfs/dbraw/zinc/58/88/87/388588887.db2.gz KXTCLVQVFQHQEV-QWHCGFSZSA-N 0 0 232.327 2.395 50 0 BEAARN O=CNC1(C(=O)Nc2ccccc2)CCCCC1 ZINC000066091325 388589210 /nfs/dbraw/zinc/58/92/10/388589210.db2.gz PFTMVDVSISEZOA-UHFFFAOYSA-N 0 0 246.310 2.074 50 0 BEAARN O=C(Nc1ccncc1)Nc1cncc(F)c1 ZINC000253397194 388589715 /nfs/dbraw/zinc/58/97/15/388589715.db2.gz WRRUQUKTXVDRKJ-UHFFFAOYSA-N 0 0 232.218 2.260 50 0 BEAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000066091398 388590111 /nfs/dbraw/zinc/59/01/11/388590111.db2.gz LZRYDSRIXOGDJB-JTQLQIEISA-N 0 0 245.257 2.033 50 0 BEAARN CCc1cc(O)ccc1NC(=O)[C@H]1CCO[C@H]1C ZINC000253427868 388591878 /nfs/dbraw/zinc/59/18/78/388591878.db2.gz BDFQHJHVFITYEN-CABZTGNLSA-N 0 0 249.310 2.318 50 0 BEAARN CC(C)N(C)c1nnc(-c2ccccc2)n1C ZINC000253420699 388591986 /nfs/dbraw/zinc/59/19/86/388591986.db2.gz VVWJBNWJTPVOML-UHFFFAOYSA-N 0 0 230.315 2.327 50 0 BEAARN Nc1n[nH]c(SC[C@@H]2CCc3ccccc32)n1 ZINC000253425698 388592408 /nfs/dbraw/zinc/59/24/08/388592408.db2.gz LGGYBYVTZPJAQT-VIFPVBQESA-N 0 0 246.339 2.209 50 0 BEAARN CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)[O-])C1 ZINC000236912149 388596000 /nfs/dbraw/zinc/59/60/00/388596000.db2.gz FLFTZNPGKXBGCF-UWVGGRQHSA-N 0 0 231.361 2.067 50 0 BEAARN CSCCCCNc1ncnc(N)c1Cl ZINC000235044368 388596060 /nfs/dbraw/zinc/59/60/60/388596060.db2.gz YFPQLAOTVFRFSU-UHFFFAOYSA-N 0 0 246.767 2.267 50 0 BEAARN CCCCOC(=O)N1c2ccccc2C(=O)C1=O ZINC000002274688 388583251 /nfs/dbraw/zinc/58/32/51/388583251.db2.gz NILHNYHWDMTLBX-UHFFFAOYSA-N 0 0 247.250 2.153 50 0 BEAARN CCc1c(O)c2c(C)cc(C)cc2[nH]c1=O ZINC000055142569 388672759 /nfs/dbraw/zinc/67/27/59/388672759.db2.gz BMDLYMLRGRZGPA-UHFFFAOYSA-N 0 0 217.268 2.413 50 0 biogenic,in-vitro BEAARN CSCCCn1cc(-n2cccc2)cn1 ZINC000170655635 388686380 /nfs/dbraw/zinc/68/63/80/388686380.db2.gz TWLXMWGSKFWVTE-UHFFFAOYSA-N 0 0 221.329 2.427 50 0 BEAARN CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000248347564 388676287 /nfs/dbraw/zinc/67/62/87/388676287.db2.gz NNSPBWUTJHMJON-KVSVUVNWSA-N 0 0 237.343 2.058 50 0 BEAARN CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000248347565 388676606 /nfs/dbraw/zinc/67/66/06/388676606.db2.gz NNSPBWUTJHMJON-OBPIAQAESA-N 0 0 237.343 2.058 50 0 BEAARN CC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000089735831 388739962 /nfs/dbraw/zinc/73/99/62/388739962.db2.gz GFSCEBAWGKRIDW-JTQLQIEISA-N 0 0 243.310 2.378 50 0 BEAARN CO[C@]1(C)C[C@H](N(C)c2ncccn2)C1(C)C ZINC000078968206 388741527 /nfs/dbraw/zinc/74/15/27/388741527.db2.gz UDVJYLJFEYMEHN-GXFFZTMASA-N 0 0 235.331 2.116 50 0 BEAARN C[C@H]1CN(C(=O)C2CCC2)C[C@H](C)S1 ZINC000089937058 388742164 /nfs/dbraw/zinc/74/21/64/388742164.db2.gz HNPMPRCBBDFCIN-IUCAKERBSA-N 0 0 213.346 2.139 50 0 BEAARN CC[C@@H](C)[C@](C)(O)CNc1ccccn1 ZINC000079002719 388742286 /nfs/dbraw/zinc/74/22/86/388742286.db2.gz OBFAPYFPDNKHGS-ZYHUDNBSSA-N 0 0 208.305 2.291 50 0 BEAARN COc1c(C)cnc(CS[C@@H](C)CO)c1C ZINC000079103140 388745657 /nfs/dbraw/zinc/74/56/57/388745657.db2.gz DMRQDRYAQAUBMZ-VIFPVBQESA-N 0 0 241.356 2.321 50 0 BEAARN OCc1ccccc1[C@@H](O)c1ccccc1 ZINC000019865574 388749694 /nfs/dbraw/zinc/74/96/94/388749694.db2.gz DGDHXBHBKBNKJI-AWEZNQCLSA-N 0 0 214.264 2.261 50 0 BEAARN COc1ccc2cc(C(=O)N3CCC3)[nH]c2c1 ZINC000065553285 388695764 /nfs/dbraw/zinc/69/57/64/388695764.db2.gz LKYURQXYTBQNDQ-UHFFFAOYSA-N 0 0 230.267 2.022 50 0 BEAARN CC[C@@H](C)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000055276407 388698224 /nfs/dbraw/zinc/69/82/24/388698224.db2.gz UESRQGCIGBGURF-GHMZBOCLSA-N 0 0 238.331 2.045 50 0 BEAARN CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000225462263 388708907 /nfs/dbraw/zinc/70/89/07/388708907.db2.gz WCRQUMHXPMAXSS-QWRGUYRKSA-N 0 0 213.321 2.362 50 0 BEAARN C[C@@H](C(=O)N1CCCCO1)c1ccccc1 ZINC000225499368 388722152 /nfs/dbraw/zinc/72/21/52/388722152.db2.gz INEZNBDLBBQSFU-LLVKDONJSA-N 0 0 219.284 2.344 50 0 BEAARN CC[C@H](CO)NC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000225513854 388726868 /nfs/dbraw/zinc/72/68/68/388726868.db2.gz ISIJZVGGOLRLTD-UTUOFQBUSA-N 0 0 242.363 2.025 50 0 BEAARN Cc1cc(=O)[nH]c(Nc2ccccc2C)n1 ZINC000013113970 177711837 /nfs/dbraw/zinc/71/18/37/177711837.db2.gz SXRARYNETBUJOI-UHFFFAOYSA-N 0 0 215.256 2.130 50 0 BEAARN CCO[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000095949257 388794019 /nfs/dbraw/zinc/79/40/19/388794019.db2.gz LDLJGTHFAHPHCW-SNVBAGLBSA-N 0 0 235.283 2.253 50 0 BEAARN CCSCCSc1nnc(C)n1CC ZINC000095960316 388795672 /nfs/dbraw/zinc/79/56/72/388795672.db2.gz XJATXXUZCIBFKA-UHFFFAOYSA-N 0 0 231.390 2.452 50 0 BEAARN CSC[C@H](C)CNc1ncnc2ncccc21 ZINC000095973317 388797998 /nfs/dbraw/zinc/79/79/98/388797998.db2.gz BIIQRIHCKCUNGB-SECBINFHSA-N 0 0 248.355 2.436 50 0 BEAARN CCOCCSc1ncnc(CC)c1F ZINC000095981603 388799088 /nfs/dbraw/zinc/79/90/88/388799088.db2.gz WYRKJSKHGTWACY-UHFFFAOYSA-N 0 0 230.308 2.307 50 0 BEAARN CCc1ccccc1NC(=O)[C@H](C)n1cncn1 ZINC000095349199 388763488 /nfs/dbraw/zinc/76/34/88/388763488.db2.gz NYFYLRJLYVSCRP-JTQLQIEISA-N 0 0 244.298 2.040 50 0 BEAARN Cn1ccnc1COC(=O)CCc1ccccc1 ZINC000095348828 388764257 /nfs/dbraw/zinc/76/42/57/388764257.db2.gz IWXWPCRKDNBKKU-UHFFFAOYSA-N 0 0 244.294 2.096 50 0 BEAARN Cc1cnc(COC(=O)CC(C)(C)C)o1 ZINC000095405198 388765742 /nfs/dbraw/zinc/76/57/42/388765742.db2.gz XTPLGUSEGRFUFK-UHFFFAOYSA-N 0 0 211.261 2.462 50 0 BEAARN COc1ncncc1NC(=O)Nc1ccccc1 ZINC000095416176 388767515 /nfs/dbraw/zinc/76/75/15/388767515.db2.gz HKIMDGMHHGTBJW-UHFFFAOYSA-N 0 0 244.254 2.129 50 0 BEAARN Cc1ccnc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)n1 ZINC000095415121 388767879 /nfs/dbraw/zinc/76/78/79/388767879.db2.gz HXSQRAFUYUZMIL-IJLUTSLNSA-N 0 0 233.315 2.155 50 0 BEAARN Cn1cc(NCCOc2ccc(F)cc2)cn1 ZINC000095467448 388773880 /nfs/dbraw/zinc/77/38/80/388773880.db2.gz YKINJNXDJMKCNP-UHFFFAOYSA-N 0 0 235.262 2.050 50 0 BEAARN CC(C)C(=O)NC[C@H](C)Oc1ccccc1F ZINC000080759216 388779041 /nfs/dbraw/zinc/77/90/41/388779041.db2.gz AZBFWTXQRYBCMP-JTQLQIEISA-N 0 0 239.290 2.365 50 0 BEAARN O=C(C1CCC1)N1CCOc2cccc(F)c2C1 ZINC000225765415 388843928 /nfs/dbraw/zinc/84/39/28/388843928.db2.gz DYAZRROJUCEGOA-UHFFFAOYSA-N 0 0 249.285 2.347 50 0 BEAARN CCCCCN1CC(=O)N[C@H]1c1ccsc1 ZINC000096500004 388821141 /nfs/dbraw/zinc/82/11/41/388821141.db2.gz VCEXSDWFXZYNGR-GFCCVEGCSA-N 0 0 238.356 2.369 50 0 BEAARN CSCCCNC(=O)Nc1cc(C)ccn1 ZINC000096502454 388821699 /nfs/dbraw/zinc/82/16/99/388821699.db2.gz GHKBQGASHVJRHN-UHFFFAOYSA-N 0 0 239.344 2.265 50 0 BEAARN CC(C)c1nnc(NCc2ccco2)o1 ZINC000096494340 388822149 /nfs/dbraw/zinc/82/21/49/388822149.db2.gz OLVPRFFGPNULIT-UHFFFAOYSA-N 0 0 207.233 2.398 50 0 BEAARN Cc1ccc(C(=O)OCC[C@@H]2CCCO2)o1 ZINC000097011900 388829380 /nfs/dbraw/zinc/82/93/80/388829380.db2.gz YNVAUMIQOWROBR-JTQLQIEISA-N 0 0 224.256 2.314 50 0 BEAARN Cc1ccc(C(=O)n2ccccc2=NC(C)C)o1 ZINC000254568066 388829692 /nfs/dbraw/zinc/82/96/92/388829692.db2.gz WMDHCFUJEOJOFK-UHFFFAOYSA-N 0 0 244.294 2.387 50 0 BEAARN C[C@H]1OCC[C@H]1Sc1ccc2nccnc2n1 ZINC000097021245 388829894 /nfs/dbraw/zinc/82/98/94/388829894.db2.gz AGQPHFRTFSHPNK-PSASIEDQSA-N 0 0 247.323 2.294 50 0 BEAARN CC(C)Cn1cc(N[C@H]2CCO[C@H]2C)cn1 ZINC000097038679 388831162 /nfs/dbraw/zinc/83/11/62/388831162.db2.gz QXNFVPZDQOOKFI-JQWIXIFHSA-N 0 0 223.320 2.128 50 0 BEAARN CCCC(=O)O[C@@H]1CCC[C@H](OC)C1 ZINC000097043819 388831556 /nfs/dbraw/zinc/83/15/56/388831556.db2.gz PBAOROBUXMOYKP-VHSXEESVSA-N 0 0 200.278 2.287 50 0 BEAARN CCCC(=O)O[C@@H]1CCC[C@@H](OC)C1 ZINC000097043821 388831800 /nfs/dbraw/zinc/83/18/00/388831800.db2.gz PBAOROBUXMOYKP-NXEZZACHSA-N 0 0 200.278 2.287 50 0 BEAARN COCc1nc(Cn2cc(Cl)cn2)cs1 ZINC000170642633 388832098 /nfs/dbraw/zinc/83/20/98/388832098.db2.gz NPCWWIRLHJNWGX-UHFFFAOYSA-N 0 0 243.719 2.188 50 0 BEAARN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@H](C)O)C2)c1 ZINC000097108012 388832979 /nfs/dbraw/zinc/83/29/79/388832979.db2.gz FLBRRUWTPZNXCW-STQMWFEESA-N 0 0 247.338 2.000 50 0 BEAARN CC(C)(O)[C@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000302111900 388839408 /nfs/dbraw/zinc/83/94/08/388839408.db2.gz ATKHEVFMMKJTNH-GFCCVEGCSA-N 0 0 245.326 2.303 50 0 BEAARN CC(C)C(=O)NCCc1ccc([C@@H](C)O)s1 ZINC000225686174 388840463 /nfs/dbraw/zinc/84/04/63/388840463.db2.gz ZFRNUNCSHRNKEL-SECBINFHSA-N 0 0 241.356 2.116 50 0 BEAARN Cc1cscc1C(=O)Nc1nccc(C)n1 ZINC000194647255 388860982 /nfs/dbraw/zinc/86/09/82/388860982.db2.gz QPYXPZPONNONMB-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC(=O)c1ccc(N2CCO[C@H](C)C2)c(F)c1 ZINC000019871013 132328129 /nfs/dbraw/zinc/32/81/29/132328129.db2.gz VFDURTIEEHFFHB-SECBINFHSA-N 0 0 237.274 2.253 50 0 BEAARN Nc1snc2ncc(Br)cc12 ZINC000238711097 322818715 /nfs/dbraw/zinc/81/87/15/322818715.db2.gz MWJZKJHJNGWRNK-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN CC(C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000000362344 166773479 /nfs/dbraw/zinc/77/34/79/166773479.db2.gz KIDPNGVWTSQGEH-UHFFFAOYSA-N 0 0 221.256 2.400 50 0 BEAARN c1cc2c(s1)CCN(c1ncccn1)C2 ZINC000014324425 132244182 /nfs/dbraw/zinc/24/41/82/132244182.db2.gz YMDHGJLZZKEWHH-UHFFFAOYSA-N 0 0 217.297 2.101 50 0 BEAARN CO[C@@H]1CCN(c2ccc(F)cn2)C[C@@H]1C ZINC000336273098 132246024 /nfs/dbraw/zinc/24/60/24/132246024.db2.gz VVKXXLAWBUNSQZ-GXSJLCMTSA-N 0 0 224.279 2.082 50 0 BEAARN CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000474708 132313744 /nfs/dbraw/zinc/31/37/44/132313744.db2.gz UVYFWYMZWQBGAQ-UHFFFAOYSA-N 0 0 238.718 2.009 50 0 BEAARN COC(=O)N1CCN(c2ccc(C)cc2)[C@@H](C)C1 ZINC000001054005 132313985 /nfs/dbraw/zinc/31/39/85/132313985.db2.gz OESCCFKZZNSVKQ-LBPRGKRZSA-N 0 0 248.326 2.272 50 0 BEAARN O=c1c2ccccc2scc1N1CCOCC1 ZINC000005202372 132317365 /nfs/dbraw/zinc/31/73/65/132317365.db2.gz PUMVHOYXQZHZHK-UHFFFAOYSA-N 0 0 247.319 2.098 50 0 BEAARN Cc1nc(Cl)cc(N2CCCCC2)n1 ZINC000012336815 132321141 /nfs/dbraw/zinc/32/11/41/132321141.db2.gz CEVUHJNQSSYUQQ-UHFFFAOYSA-N 0 0 211.696 2.429 50 0 BEAARN C[C@@H]1CN(c2ncnc3ccsc32)C[C@H](C)O1 ZINC000012410481 132321420 /nfs/dbraw/zinc/32/14/20/132321420.db2.gz SVUFRCMCWNRJQQ-DTORHVGOSA-N 0 0 249.339 2.305 50 0 BEAARN COc1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000012977650 132321598 /nfs/dbraw/zinc/32/15/98/132321598.db2.gz NMWKBBNINOXPHI-UHFFFAOYSA-N 0 0 231.295 2.384 50 0 BEAARN OC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015443209 132322937 /nfs/dbraw/zinc/32/29/37/132322937.db2.gz DLAYRTOUIFQCOR-UHFFFAOYSA-N 0 0 246.232 2.062 50 0 BEAARN C[C@H]1CN(c2ccc(N)cc2F)C[C@H](C)O1 ZINC000026515019 132333579 /nfs/dbraw/zinc/33/35/79/132333579.db2.gz FOXDRQYNTAHYRU-IUCAKERBSA-N 0 0 224.279 2.022 50 0 BEAARN Cc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000003086194 132334075 /nfs/dbraw/zinc/33/40/75/132334075.db2.gz BLZQHEZIKMURQC-UHFFFAOYSA-N 0 0 203.241 2.039 50 0 BEAARN CC(C)C[C@]1(CO)CCCN(c2ncccn2)C1 ZINC000032498356 132335150 /nfs/dbraw/zinc/33/51/50/132335150.db2.gz RLUVUWAHUZCFCE-CQSZACIVSA-N 0 0 249.358 2.102 50 0 BEAARN Nc1ccc2c(c1)N(C(=O)C(F)(F)F)CCC2 ZINC000036154418 132340196 /nfs/dbraw/zinc/34/01/96/132340196.db2.gz JIRYUTOSMMSCKC-UHFFFAOYSA-N 0 0 244.216 2.110 50 0 BEAARN C[C@@H]1CN(c2ccc(F)cc2C=O)C[C@H](C)O1 ZINC000037233690 132343624 /nfs/dbraw/zinc/34/36/24/132343624.db2.gz RNUQESWOTDOHNX-AOOOYVTPSA-N 0 0 237.274 2.252 50 0 BEAARN C[C@@H]1CCC[C@@H](C)N1c1ncnc2n[nH]cc21 ZINC000041120982 132349456 /nfs/dbraw/zinc/34/94/56/132349456.db2.gz OAYJNOHVKAHTJM-RKDXNWHRSA-N 0 0 231.303 2.120 50 0 BEAARN O=C(c1csnn1)N1CCCc2ccccc21 ZINC000041611318 132350688 /nfs/dbraw/zinc/35/06/88/132350688.db2.gz HVVOFFSZCXMFDB-UHFFFAOYSA-N 0 0 245.307 2.131 50 0 BEAARN CC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000048803298 132355592 /nfs/dbraw/zinc/35/55/92/132355592.db2.gz FAKUXPQIHHCBCO-QWRGUYRKSA-N 0 0 248.326 2.259 50 0 BEAARN c1ccc([C@H]2CN(c3ncccn3)CCO2)cc1 ZINC000057516934 132365922 /nfs/dbraw/zinc/36/59/22/132365922.db2.gz CDSGVWFSADYJON-CYBMUJFWSA-N 0 0 241.294 2.055 50 0 BEAARN COCCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000064554764 132389230 /nfs/dbraw/zinc/38/92/30/132389230.db2.gz NTINNDXFMAIHRI-LLVKDONJSA-N 0 0 249.310 2.145 50 0 BEAARN CC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000064554685 132389297 /nfs/dbraw/zinc/38/92/97/132389297.db2.gz MZZGYNBKAUUPQX-VIFPVBQESA-N 0 0 205.257 2.129 50 0 BEAARN O=S1(=O)C=C2CCCCN2c2ccccc21 ZINC000067340799 132390173 /nfs/dbraw/zinc/39/01/73/132390173.db2.gz VWCIYWOFPLGUEV-UHFFFAOYSA-N 0 0 235.308 2.306 50 0 BEAARN COCCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000071915218 132395835 /nfs/dbraw/zinc/39/58/35/132395835.db2.gz WFQRVTANQLTVJV-NSHDSACASA-N 0 0 233.311 2.391 50 0 BEAARN c1cc2n(c1)CCN(c1ccc3cc[nH]c3n1)C2 ZINC000072409032 132397265 /nfs/dbraw/zinc/39/72/65/132397265.db2.gz JURIXGIZZMGEJP-UHFFFAOYSA-N 0 0 238.294 2.385 50 0 BEAARN CC(=O)N1C[C@H](C(C)C)Nc2ccccc21 ZINC000081793847 132411811 /nfs/dbraw/zinc/41/18/11/132411811.db2.gz IPWDUHZCLTVNON-GFCCVEGCSA-N 0 0 218.300 2.490 50 0 BEAARN Cc1ccc(C)c(N2C(=O)CCCC2=O)c1 ZINC000004824917 132457711 /nfs/dbraw/zinc/45/77/11/132457711.db2.gz KUJBWBPVTMMEMM-UHFFFAOYSA-N 0 0 217.268 2.347 50 0 BEAARN CCCC[C@@H](CC)C(=O)NC[C@@H]1CCCO1 ZINC000005466634 133445946 /nfs/dbraw/zinc/44/59/46/133445946.db2.gz PVEUPUAPZWVDHP-NEPJUHHUSA-N 0 0 227.348 2.498 50 0 BEAARN CCOCCCNC(=O)Cc1ccc(C)c(C)c1 ZINC000013683208 133450931 /nfs/dbraw/zinc/45/09/31/133450931.db2.gz KGAPIXUTEKEBAO-UHFFFAOYSA-N 0 0 249.354 2.389 50 0 BEAARN O=C(NCc1ccoc1)N1CCC=C(F)C1 ZINC000336036885 134059846 /nfs/dbraw/zinc/05/98/46/134059846.db2.gz ZSCBLIBKEAKCII-UHFFFAOYSA-N 0 0 224.235 2.048 50 0 BEAARN Cc1ccccc1N1N[C@@](C)(C2CC2)NC1=O ZINC000334160617 134159918 /nfs/dbraw/zinc/15/99/18/134159918.db2.gz ITHNPXSPGBHJHR-ZDUSSCGKSA-N 0 0 231.299 2.155 50 0 BEAARN Cc1ccccc1N1NC2(CCCC2)NC1=O ZINC000334161004 134159977 /nfs/dbraw/zinc/15/99/77/134159977.db2.gz QTRYSMRVHJEPBR-UHFFFAOYSA-N 0 0 231.299 2.300 50 0 BEAARN CC[C@]1(C)NC(=O)N(c2ccccc2C)N1 ZINC000334160518 134160021 /nfs/dbraw/zinc/16/00/21/134160021.db2.gz GKOQTMUSNIAMTM-GFCCVEGCSA-N 0 0 219.288 2.155 50 0 BEAARN COc1ccccc1CCC(=O)N1CCCCO1 ZINC000180908651 134331972 /nfs/dbraw/zinc/33/19/72/134331972.db2.gz BPMDIALAICKMAB-UHFFFAOYSA-N 0 0 249.310 2.182 50 0 BEAARN CC(C)=CC(=O)NCCOc1ccccc1F ZINC000067773665 134398206 /nfs/dbraw/zinc/39/82/06/134398206.db2.gz FHRQDHHYQWTVNC-UHFFFAOYSA-N 0 0 237.274 2.287 50 0 BEAARN Cc1ccc(C)c(C(=O)NCC[C@H](O)C2CC2)c1 ZINC000077107518 134409624 /nfs/dbraw/zinc/40/96/24/134409624.db2.gz GABPNUXYEJYEDR-AWEZNQCLSA-N 0 0 247.338 2.194 50 0 BEAARN c1cnc2cccc(OC[C@@H]3COCCO3)c2c1 ZINC000408525127 134809960 /nfs/dbraw/zinc/80/99/60/134809960.db2.gz LUCSPBJNNCKHFA-NSHDSACASA-N 0 0 245.278 2.029 50 0 BEAARN Cc1c[nH]cc1C(=O)NN1[C@@H](C)CCC[C@@H]1C ZINC000408526058 134812760 /nfs/dbraw/zinc/81/27/60/134812760.db2.gz MGDMVJJBEQZFKB-QWRGUYRKSA-N 0 0 235.331 2.231 50 0 BEAARN OCC/C=C/CCCO[C@@H]1CCCCO1 ZINC000001721886 134834568 /nfs/dbraw/zinc/83/45/68/134834568.db2.gz ABHBROKWGIRFEX-ISUDXETCSA-N 0 0 214.305 2.248 50 0 BEAARN O=C(NC[C@@H]1COc2ccccc21)c1ccco1 ZINC000074913457 134951059 /nfs/dbraw/zinc/95/10/59/134951059.db2.gz USKJRGQAWHMVGA-SNVBAGLBSA-N 0 0 243.262 2.186 50 0 BEAARN Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)[O-])cc1F ZINC000087284276 135116824 /nfs/dbraw/zinc/11/68/24/135116824.db2.gz YDUXSXUDMODAOB-RKDXNWHRSA-N 0 0 225.263 2.258 50 0 BEAARN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])cc1F ZINC000087284274 135116950 /nfs/dbraw/zinc/11/69/50/135116950.db2.gz YDUXSXUDMODAOB-BDAKNGLRSA-N 0 0 225.263 2.258 50 0 BEAARN Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)[O-])cc1F ZINC000087284277 135116991 /nfs/dbraw/zinc/11/69/91/135116991.db2.gz YDUXSXUDMODAOB-DTWKUNHWSA-N 0 0 225.263 2.258 50 0 BEAARN C[C@@H](O)c1ncc(C(F)(F)F)cc1F ZINC000253533938 135127742 /nfs/dbraw/zinc/12/77/42/135127742.db2.gz WDPXHBGMBBCJPF-SCSAIBSYSA-N 0 0 209.142 2.293 50 0 BEAARN Cc1nc(CN(C)Cc2nccs2)[nH]c1C ZINC000299791429 135207175 /nfs/dbraw/zinc/20/71/75/135207175.db2.gz FYUKMURDJKRXGJ-UHFFFAOYSA-N 0 0 236.344 2.115 50 0 BEAARN C[C@H]1CCCC[C@H]1OCC(=O)N1CCCC1 ZINC000089927773 135542281 /nfs/dbraw/zinc/54/22/81/135542281.db2.gz MKYQDKMNUFRQNX-NWDGAFQWSA-N 0 0 225.332 2.204 50 0 BEAARN CNC(=O)c1cnn(-c2ccccc2)c1C(C)C ZINC000032779902 135808208 /nfs/dbraw/zinc/80/82/08/135808208.db2.gz VJRPAIBZBVAFLC-UHFFFAOYSA-N 0 0 243.310 2.355 50 0 BEAARN O=C(NC[C@@H]1CC12CC2)[C@H]1CCC(F)(F)C1 ZINC000335255036 135986556 /nfs/dbraw/zinc/98/65/56/135986556.db2.gz GAUXLGZOKNXSCI-IUCAKERBSA-N 0 0 229.270 2.338 50 0 BEAARN O=C(N[C@H]1CC12CC2)[C@H]1CCCCC1(F)F ZINC000335564309 136106987 /nfs/dbraw/zinc/10/69/87/136106987.db2.gz HXKBTHBNFVKBIF-BDAKNGLRSA-N 0 0 229.270 2.481 50 0 BEAARN O=C(N[C@@H]1CC12CC2)[C@H]1CCCCC1(F)F ZINC000335564312 136106988 /nfs/dbraw/zinc/10/69/88/136106988.db2.gz HXKBTHBNFVKBIF-RKDXNWHRSA-N 0 0 229.270 2.481 50 0 BEAARN CC1=CCN(C(=O)NCC[C@@H](C)F)CC1 ZINC000335575116 136110645 /nfs/dbraw/zinc/11/06/45/136110645.db2.gz CXRFIQSJTLBQTJ-SNVBAGLBSA-N 0 0 214.284 2.096 50 0 BEAARN CCC[C@@](O)(c1ncc[nH]1)c1ccccc1 ZINC000328579672 397901578 /nfs/dbraw/zinc/90/15/78/397901578.db2.gz VTXGERPCTLOBJV-ZDUSSCGKSA-N 0 0 216.284 2.446 50 0 BEAARN CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000030087 397913859 /nfs/dbraw/zinc/91/38/59/397913859.db2.gz BKQOKWBHIBQLIH-UHFFFAOYSA-N 0 0 217.312 2.488 50 0 BEAARN COc1ccc(CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000000029290 397913971 /nfs/dbraw/zinc/91/39/71/397913971.db2.gz MMGYTUWHYJZNRZ-LBPRGKRZSA-N 0 0 247.338 2.496 50 0 BEAARN COC(=O)c1sc2ccc(F)cc2c1N ZINC000004268515 397922842 /nfs/dbraw/zinc/92/28/42/397922842.db2.gz DWVFEGXDEUEYHF-UHFFFAOYSA-N 0 0 225.244 2.409 50 0 BEAARN FC(F)(F)c1ccnc(NCC2CC2)n1 ZINC000070225702 397979928 /nfs/dbraw/zinc/97/99/28/397979928.db2.gz OQHRRXNJBQXLEI-UHFFFAOYSA-N 0 0 217.194 2.317 50 0 BEAARN O=Cc1cccc(-c2ccc3c(c2)OCO3)n1 ZINC000025757619 397985436 /nfs/dbraw/zinc/98/54/36/397985436.db2.gz XITSUEJTFNGOIW-UHFFFAOYSA-N 0 0 227.219 2.290 50 0 BEAARN CC(C)(C)C(=O)NCC[C@H](O)c1ccccc1 ZINC000081253778 398067592 /nfs/dbraw/zinc/06/75/92/398067592.db2.gz TVMDFXCXAWYJTH-LBPRGKRZSA-N 0 0 235.327 2.272 50 0 BEAARN COCCc1noc([C@H]2CC=CCC2)n1 ZINC000096405250 398068660 /nfs/dbraw/zinc/06/86/60/398068660.db2.gz IRCZYLYIJLVYBX-VIFPVBQESA-N 0 0 208.261 2.082 50 0 BEAARN CCCn1c2ccc(N)cc2n(CCC)c1=O ZINC000059549647 398075564 /nfs/dbraw/zinc/07/55/64/398075564.db2.gz QVMNQFFWXGWPQB-UHFFFAOYSA-N 0 0 233.315 2.205 50 0 BEAARN Cc1c(C(=O)C(Cl)(Cl)Cl)cnn1C ZINC000066324297 398090942 /nfs/dbraw/zinc/09/09/42/398090942.db2.gz XZSZOFCYRIIKHQ-UHFFFAOYSA-N 0 0 241.505 2.281 50 0 BEAARN CS[C@H](C)CNC(=O)/C=C\c1ccc(C)o1 ZINC000221956440 398121815 /nfs/dbraw/zinc/12/18/15/398121815.db2.gz RUMOBWPMGPDVIL-JYESYGNLSA-N 0 0 239.340 2.469 50 0 BEAARN CCc1ccc([C@H](CO)Nc2ncccn2)cc1 ZINC000095973790 398113088 /nfs/dbraw/zinc/11/30/88/398113088.db2.gz CFPMVQUURDLVEE-ZDUSSCGKSA-N 0 0 243.310 2.185 50 0 BEAARN CC(C)CNC(=O)c1coc(Br)c1 ZINC000012978182 167001632 /nfs/dbraw/zinc/00/16/32/167001632.db2.gz YGWIISRYTYNGAC-UHFFFAOYSA-N 0 0 246.104 2.428 50 0 BEAARN CC(C)NC(=O)CNc1cccc(Cl)c1 ZINC000009155219 167061434 /nfs/dbraw/zinc/06/14/34/167061434.db2.gz YHHSYFGBIOYNLZ-UHFFFAOYSA-N 0 0 226.707 2.277 50 0 BEAARN Cc1cc(Br)ccc1NC(N)=S ZINC000000156696 177722951 /nfs/dbraw/zinc/72/29/51/177722951.db2.gz WYYBDMZUGLHCKA-UHFFFAOYSA-N 0 0 245.145 2.413 50 0 BEAARN Cc1nc(Cn2cc(C(C)(C)C)nn2)cs1 ZINC000585091521 487577108 /nfs/dbraw/zinc/57/71/08/487577108.db2.gz QXWMSYVRMDXQKI-UHFFFAOYSA-N 0 0 236.344 2.389 50 0 BEAARN CCc1nsc(N2CCC[C@H]2c2cn[nH]c2)n1 ZINC000585092033 487576911 /nfs/dbraw/zinc/57/69/11/487576911.db2.gz BNXDCILHQYNZQN-VIFPVBQESA-N 0 0 249.343 2.165 50 0 BEAARN CC(C)OCCCNC(=O)Cc1cccs1 ZINC000009678780 167218603 /nfs/dbraw/zinc/21/86/03/167218603.db2.gz QDKYYXBHXMDTMR-UHFFFAOYSA-N 0 0 241.356 2.222 50 0 BEAARN CC(C)OCCCNC(=O)c1ccccc1F ZINC000040161078 167221565 /nfs/dbraw/zinc/22/15/65/167221565.db2.gz ZZYQWTWEMDLMOF-UHFFFAOYSA-N 0 0 239.290 2.371 50 0 BEAARN CC12CC(C1)CN2c1ccc2nccnc2n1 ZINC000585099502 487579717 /nfs/dbraw/zinc/57/97/17/487579717.db2.gz OZNJMFGNCSWNSS-UHFFFAOYSA-N 0 0 226.283 2.014 50 0 BEAARN CC(C)OCCS[C@@H](C)C(=O)NC(C)(C)C ZINC000089887887 167250860 /nfs/dbraw/zinc/25/08/60/167250860.db2.gz GIXXGLYGEDQSLZ-JTQLQIEISA-N 0 0 247.404 2.448 50 0 BEAARN CCS(=O)(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000072286627 409736891 /nfs/dbraw/zinc/73/68/91/409736891.db2.gz TUBAWLGSBMYHQX-SNVBAGLBSA-N 0 0 243.328 2.075 50 0 BEAARN Clc1ccc(-c2cccc3ccnn32)nn1 ZINC000072149709 410026002 /nfs/dbraw/zinc/02/60/02/410026002.db2.gz UOVLSYMRNRVKHO-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN COC[C@H](C)Nc1cccc(-c2ncon2)c1 ZINC000097095665 410052998 /nfs/dbraw/zinc/05/29/98/410052998.db2.gz XURCRFBKYFIKSZ-VIFPVBQESA-N 0 0 233.271 2.183 50 0 BEAARN Nn1nc(-c2ccccc2)nc1-c1ccccc1 ZINC000000036454 410064991 /nfs/dbraw/zinc/06/49/91/410064991.db2.gz YSJGEOFZICPMOC-UHFFFAOYSA-N 0 0 236.278 2.326 50 0 BEAARN Brc1ccc(Cn2cncn2)cc1 ZINC000040448040 166097072 /nfs/dbraw/zinc/09/70/72/166097072.db2.gz GIMRDIDKYYDTBN-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN Brc1ccc(Cn2ccnn2)s1 ZINC000128063574 166097332 /nfs/dbraw/zinc/09/73/32/166097332.db2.gz GPKVHUSNEHRSRS-UHFFFAOYSA-N 0 0 244.117 2.150 50 0 BEAARN Brc1ccc2ccncc2n1 ZINC000006221959 166099009 /nfs/dbraw/zinc/09/90/09/166099009.db2.gz FVJQNINMQYFIEQ-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc2nsnc2c1 ZINC000000158664 166100403 /nfs/dbraw/zinc/10/04/03/166100403.db2.gz LLCRUZDFDGTAAN-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Brc1ccc([C@@H]2NCCS2)o1 ZINC000050522688 166100406 /nfs/dbraw/zinc/10/04/06/166100406.db2.gz YFFNWJYJTWVXIZ-SSDOTTSWSA-N 0 0 234.118 2.377 50 0 BEAARN Brc1cncc(-c2ncc[nH]2)c1 ZINC000082733984 166104163 /nfs/dbraw/zinc/10/41/63/166104163.db2.gz YFFDWLLFKKJMGX-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN Brc1ccccc1-c1nnco1 ZINC000013608843 166102755 /nfs/dbraw/zinc/10/27/55/166102755.db2.gz CLXZPEZUBVRIIL-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1ccncc1N1CCCC1 ZINC000095081341 166102957 /nfs/dbraw/zinc/10/29/57/166102957.db2.gz WXPGFUQBLZNEGB-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Brc1cccnc1NC1CC1 ZINC000044379118 166103507 /nfs/dbraw/zinc/10/35/07/166103507.db2.gz OHXYCQBQIHRURT-UHFFFAOYSA-N 0 0 213.078 2.418 50 0 BEAARN Brc1cn(-c2ccccn2)cn1 ZINC000072193506 166105104 /nfs/dbraw/zinc/10/51/04/166105104.db2.gz WZHQVFWUCYJDJS-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1cnn(-c2cccnc2)c1 ZINC000039260517 166106572 /nfs/dbraw/zinc/10/65/72/166106572.db2.gz GEHXUIGDGPBAHL-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1csc(-c2cncnc2)n1 ZINC000044121753 166106902 /nfs/dbraw/zinc/10/69/02/166106902.db2.gz HABLTOXTGTUITL-UHFFFAOYSA-N 0 0 242.101 2.363 50 0 BEAARN CCN(CC)C(=O)COc1ccc(F)cc1 ZINC000016225564 169750390 /nfs/dbraw/zinc/75/03/90/169750390.db2.gz NMYZAGDXYVWJMX-UHFFFAOYSA-N 0 0 225.263 2.073 50 0 BEAARN CCN(CC)C(=O)NCc1ccc(OC)cc1 ZINC000004853017 169753992 /nfs/dbraw/zinc/75/39/92/169753992.db2.gz KGDLUQBTKPRTSG-UHFFFAOYSA-N 0 0 236.315 2.247 50 0 BEAARN CCN(CC)C(=O)c1ccc2nccnc2c1 ZINC000012978742 169760543 /nfs/dbraw/zinc/76/05/43/169760543.db2.gz WYEKWADREMXQBW-UHFFFAOYSA-N 0 0 229.283 2.112 50 0 BEAARN CC(=O)c1ccc(-c2ccc(N(C)C)nn2)s1 ZINC000096137131 166450857 /nfs/dbraw/zinc/45/08/57/166450857.db2.gz DREROJLGEVWOEE-UHFFFAOYSA-N 0 0 247.323 2.474 50 0 BEAARN CC(=O)c1ccc(OC2CCOCC2)cc1 ZINC000040993293 166467642 /nfs/dbraw/zinc/46/76/42/166467642.db2.gz JMQNESXNIBJRFH-UHFFFAOYSA-N 0 0 220.268 2.447 50 0 BEAARN CC(=O)c1ccccc1NCC(=O)NC(C)(C)C ZINC000009218518 166481403 /nfs/dbraw/zinc/48/14/03/166481403.db2.gz MCEJCCBPTCKCFI-UHFFFAOYSA-N 0 0 248.326 2.216 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@]2(CCO2)C1 ZINC000062725531 166648101 /nfs/dbraw/zinc/64/81/01/166648101.db2.gz LCPKAAHDEZYAQL-GFCCVEGCSA-N 0 0 227.304 2.176 50 0 BEAARN CC(C)(C)OC(=O)NCc1ccc(CO)cc1 ZINC000004287715 166664331 /nfs/dbraw/zinc/66/43/31/166664331.db2.gz KUEPOWVQABAWRK-UHFFFAOYSA-N 0 0 237.299 2.204 50 0 BEAARN CC(C)(C)OC(=O)Nc1ccsc1C(N)=O ZINC000004290586 166669682 /nfs/dbraw/zinc/66/96/82/166669682.db2.gz BVQWDLYADDRCIR-UHFFFAOYSA-N 0 0 242.300 2.194 50 0 BEAARN CC(C)(C)OC(=O)c1ccc(N)cc1F ZINC000015809732 166676033 /nfs/dbraw/zinc/67/60/33/166676033.db2.gz FCCRKNYAZJHMME-UHFFFAOYSA-N 0 0 211.236 2.363 50 0 BEAARN CC(C)(C)Oc1ccc(C(N)=S)cc1 ZINC000020515308 166686642 /nfs/dbraw/zinc/68/66/42/166686642.db2.gz VAEZVEPJNVRCFQ-UHFFFAOYSA-N 0 0 209.314 2.498 50 0 BEAARN CC(C)CC(=O)N1CCn2cccc2[C@H]1C ZINC000032753026 166764034 /nfs/dbraw/zinc/76/40/34/166764034.db2.gz UARJCWKQXWKISK-LLVKDONJSA-N 0 0 220.316 2.437 50 0 BEAARN CC(C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000000285400 166767403 /nfs/dbraw/zinc/76/74/03/166767403.db2.gz NWXRYDNKTVYDSZ-UHFFFAOYSA-N 0 0 235.283 2.078 50 0 BEAARN CC(C)CC(=O)Nc1nnc(C2CC2)s1 ZINC000023652631 166774027 /nfs/dbraw/zinc/77/40/27/166774027.db2.gz YIURWFRFGBJJTQ-UHFFFAOYSA-N 0 0 225.317 2.400 50 0 BEAARN CC(C)CSCCN1C(=O)[C@H](C)[C@@H](C)C1=O ZINC000101903614 410801011 /nfs/dbraw/zinc/80/10/11/410801011.db2.gz OFZIRYUZDABPHR-NXEZZACHSA-N 0 0 243.372 2.017 50 0 BEAARN Cc1ccc(C(=O)N(C)Cc2ccco2)o1 ZINC000040160965 410864360 /nfs/dbraw/zinc/86/43/60/410864360.db2.gz JZUGSOZJIOKYNU-UHFFFAOYSA-N 0 0 219.240 2.453 50 0 BEAARN CC/C=C(\C)C(=O)Nc1cnn(CC)c1 ZINC000102941946 410869614 /nfs/dbraw/zinc/86/96/14/410869614.db2.gz AYSOSXGESHIFAX-RMKNXTFCSA-N 0 0 207.277 2.198 50 0 BEAARN Cc1ccoc1C(=O)N1CCC[C@@H](C)C1 ZINC000040480528 410876592 /nfs/dbraw/zinc/87/65/92/410876592.db2.gz AFXOTLDCLFUSCD-SECBINFHSA-N 0 0 207.273 2.460 50 0 BEAARN CC(C)N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O ZINC000007425179 167030484 /nfs/dbraw/zinc/03/04/84/167030484.db2.gz RDIHBFMADCVDQR-JTQLQIEISA-N 0 0 243.310 2.287 50 0 BEAARN CC(C)N1Cc2cc(Cl)ccc2OCC1=O ZINC000065184354 167035840 /nfs/dbraw/zinc/03/58/40/167035840.db2.gz QEVGZWASNRZYQW-UHFFFAOYSA-N 0 0 239.702 2.469 50 0 BEAARN CC(C)NC(=O)Nc1ccc(F)c(F)c1 ZINC000047463706 167077427 /nfs/dbraw/zinc/07/74/27/167077427.db2.gz WPPFUVHTGHLSMG-UHFFFAOYSA-N 0 0 214.215 2.495 50 0 BEAARN CC(C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000050077421 167080864 /nfs/dbraw/zinc/08/08/64/167080864.db2.gz PGXSVFXKEOINNN-SECBINFHSA-N 0 0 225.263 2.118 50 0 BEAARN CC(C)NC(=O)c1cc2ccccc2[nH]1 ZINC000012946715 167086384 /nfs/dbraw/zinc/08/63/84/167086384.db2.gz FAIUHDKHIFKHPO-UHFFFAOYSA-N 0 0 202.257 2.306 50 0 BEAARN CC(C)NC(=O)c1ccc(Cl)cc1N ZINC000020156115 167088395 /nfs/dbraw/zinc/08/83/95/167088395.db2.gz DDUFHCYDQKMFQD-UHFFFAOYSA-N 0 0 212.680 2.060 50 0 BEAARN CC(C)NC(=O)c1cncn1-c1ccccc1 ZINC000012544308 167089319 /nfs/dbraw/zinc/08/93/19/167089319.db2.gz FLHNTSCZQXFGGP-UHFFFAOYSA-N 0 0 229.283 2.011 50 0 BEAARN CC(C)NC(=O)c1ccnc(-c2cccnc2)c1 ZINC000065469523 167089703 /nfs/dbraw/zinc/08/97/03/167089703.db2.gz PEQYTFNHDCHAMK-UHFFFAOYSA-N 0 0 241.294 2.282 50 0 BEAARN CC(C)NC(=O)c1snnc1-c1ccccc1 ZINC000036359372 167092068 /nfs/dbraw/zinc/09/20/68/167092068.db2.gz VBAVEHZHDAYTBY-UHFFFAOYSA-N 0 0 247.323 2.343 50 0 BEAARN CC(C)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000037068728 167145500 /nfs/dbraw/zinc/14/55/00/167145500.db2.gz XIYIQZXSKUBWSW-UHFFFAOYSA-N 0 0 220.316 2.138 50 0 BEAARN CC(C)OC(=O)CCc1nc2ccccc2[nH]1 ZINC000049016936 167159611 /nfs/dbraw/zinc/15/96/11/167159611.db2.gz KSJCGUUKLYBSNG-UHFFFAOYSA-N 0 0 232.283 2.447 50 0 BEAARN CC(C)OC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000084621832 167168434 /nfs/dbraw/zinc/16/84/34/167168434.db2.gz LYGDYPMGPREPQR-SNVBAGLBSA-N 0 0 241.331 2.023 50 0 BEAARN CC(C)OC(=O)c1cc2ccc(O)cc2oc1=O ZINC000006817796 167172363 /nfs/dbraw/zinc/17/23/63/167172363.db2.gz OMYAARZXWCRPNT-UHFFFAOYSA-N 0 0 248.234 2.064 50 0 biogenic BEAARN CC(C)Oc1ccc(-c2cccc(CO)c2)nn1 ZINC000032580968 167288605 /nfs/dbraw/zinc/28/86/05/167288605.db2.gz LHHWLXKRPCGURD-UHFFFAOYSA-N 0 0 244.294 2.423 50 0 BEAARN CC(C)Oc1ccc([C@@H]2CC(=O)N(C)C2)cc1 ZINC000000366252 167298207 /nfs/dbraw/zinc/29/82/07/167298207.db2.gz MOALYFXRHHPTTE-GFCCVEGCSA-N 0 0 233.311 2.420 50 0 BEAARN CC(C)Oc1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000000266571 167298616 /nfs/dbraw/zinc/29/86/16/167298616.db2.gz IQRQFDBETFFVOE-NSHDSACASA-N 0 0 219.284 2.077 50 0 BEAARN CC(C)Sc1cc(Cl)nc(N)n1 ZINC000001398030 167336307 /nfs/dbraw/zinc/33/63/07/167336307.db2.gz AXCDHZBXHOYMMD-UHFFFAOYSA-N 0 0 203.698 2.213 50 0 BEAARN CC(C)Sc1nnnn1C1CCCC1 ZINC000040468478 167338038 /nfs/dbraw/zinc/33/80/38/167338038.db2.gz HIUDBHDFMIMKQL-UHFFFAOYSA-N 0 0 212.322 2.289 50 0 BEAARN CC(C)Sc1ccccc1CN(C)N ZINC000044125163 167338523 /nfs/dbraw/zinc/33/85/23/167338523.db2.gz ZVIBGSYXDYKFGM-UHFFFAOYSA-N 0 0 210.346 2.493 50 0 BEAARN CC(C)[C@@H](C)NC(=O)CC[C@@H]1CCCO1 ZINC000040506170 167371501 /nfs/dbraw/zinc/37/15/01/167371501.db2.gz ACKJFZLEIUITEQ-MNOVXSKESA-N 0 0 213.321 2.106 50 0 BEAARN CC[C@H](C)COC(=O)CN(C)[C@H]1CCSC1 ZINC000108151054 411142712 /nfs/dbraw/zinc/14/27/12/411142712.db2.gz YFJHOBSOVNLHLM-QWRGUYRKSA-N 0 0 245.388 2.013 50 0 BEAARN CCCc1noc([C@@H](C)N2CCSCC2)n1 ZINC000044950571 411142791 /nfs/dbraw/zinc/14/27/91/411142791.db2.gz VZVHHANHGMJLGZ-SECBINFHSA-N 0 0 241.360 2.132 50 0 BEAARN Cc1nc(CNC(=O)Nc2ccccn2)cs1 ZINC000045344356 411145923 /nfs/dbraw/zinc/14/59/23/411145923.db2.gz ZCQREZYGNYHNKE-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN CC(C)c1nc2nccc(-c3ccncc3)n2n1 ZINC000095479522 167683643 /nfs/dbraw/zinc/68/36/43/167683643.db2.gz SXUUNZZXWCWSDN-UHFFFAOYSA-N 0 0 239.282 2.310 50 0 BEAARN CCN(CC)[P@]1(=O)OC(C)(C)C[C@@]1(C)O ZINC000000231786 169802422 /nfs/dbraw/zinc/80/24/22/169802422.db2.gz REQUQJQPNHWTGW-ZUZCIYMTSA-N 0 0 235.264 2.429 50 0 BEAARN CC(C)=CC(=O)NC[C@H](C)Cn1nc(C)cc1C ZINC000048408298 411197151 /nfs/dbraw/zinc/19/71/51/411197151.db2.gz REERPVBEZAAXOC-NSHDSACASA-N 0 0 249.358 2.218 50 0 BEAARN CC(C)n1cnc2c1nc(F)nc2Cl ZINC000096034777 167778466 /nfs/dbraw/zinc/77/84/66/167778466.db2.gz AISKFDFVSSENFX-UHFFFAOYSA-N 0 0 214.631 2.200 50 0 BEAARN CN1CCCc2cc(NC(=O)NC3CC3)ccc21 ZINC000049134234 411224689 /nfs/dbraw/zinc/22/46/89/411224689.db2.gz FYYRCAZVQDJSLD-UHFFFAOYSA-N 0 0 245.326 2.353 50 0 BEAARN CCc1cc(NC(=O)CCc2ccco2)n[nH]1 ZINC000049139201 411226207 /nfs/dbraw/zinc/22/62/07/411226207.db2.gz FQGWXWPIYJZKCV-UHFFFAOYSA-N 0 0 233.271 2.136 50 0 BEAARN Cc1n[nH]cc1NC(=O)Cc1cccc(F)c1 ZINC000049476707 411235176 /nfs/dbraw/zinc/23/51/76/411235176.db2.gz MGTMYOFWPXLJRH-UHFFFAOYSA-N 0 0 233.246 2.038 50 0 BEAARN CC/C=C(/C)C(=O)N(C)Cc1cccnc1 ZINC000058014258 167827986 /nfs/dbraw/zinc/82/79/86/167827986.db2.gz IMGRLYPRDYUZHQ-WDZFZDKYSA-N 0 0 218.300 2.396 50 0 BEAARN CCOc1cccc(CNc2ncccn2)c1 ZINC000037680064 411275951 /nfs/dbraw/zinc/27/59/51/411275951.db2.gz PFZTVCZULQADKJ-UHFFFAOYSA-N 0 0 229.283 2.487 50 0 BEAARN CCOc1cc(CNC(=O)CC)ccc1OC ZINC000074629068 411283791 /nfs/dbraw/zinc/28/37/91/411283791.db2.gz FIJDVJXMXFOBNC-UHFFFAOYSA-N 0 0 237.299 2.120 50 0 BEAARN CC1(C(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000062844345 167875408 /nfs/dbraw/zinc/87/54/08/167875408.db2.gz KOPVBCTUKHBHBV-UHFFFAOYSA-N 0 0 233.311 2.373 50 0 BEAARN Cc1cc(CN(C)Cc2cc(C3CC3)no2)no1 ZINC000659838668 411318265 /nfs/dbraw/zinc/31/82/65/411318265.db2.gz RLPMEDCSCYSKKZ-UHFFFAOYSA-N 0 0 247.298 2.480 50 0 BEAARN Cn1c(NCc2ccc(F)cc2)nnc1C1CC1 ZINC000656777661 411357252 /nfs/dbraw/zinc/35/72/52/411357252.db2.gz ZWSXRNQBXLNXFN-UHFFFAOYSA-N 0 0 246.289 2.444 50 0 BEAARN CC1(C)C[C@@H]1C(=O)NCC(=O)c1cccs1 ZINC000097022564 167982248 /nfs/dbraw/zinc/98/22/48/167982248.db2.gz ZGJSRDPYXAESAQ-MRVPVSSYSA-N 0 0 237.324 2.093 50 0 BEAARN CC1(CNC(=O)Cc2cc[nH]n2)CCCCCC1 ZINC000096494205 168031560 /nfs/dbraw/zinc/03/15/60/168031560.db2.gz USRAKDZTEPREGO-UHFFFAOYSA-N 0 0 249.358 2.429 50 0 BEAARN CC12CN3CC(C)(CN(C1)C3c1cccnc1)C2 ZINC000019329906 168074065 /nfs/dbraw/zinc/07/40/65/168074065.db2.gz XCFWIFQBZQRXRN-UHFFFAOYSA-N 0 0 243.354 2.128 50 0 biogenic BEAARN CC1=CC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000000440165 168092522 /nfs/dbraw/zinc/09/25/22/168092522.db2.gz NHUHZZNHMAJHET-UHFFFAOYSA-N 0 0 235.670 2.468 50 0 BEAARN CC1=NN(C(N)=S)[C@H](c2ccccc2)C1 ZINC000000270416 168134744 /nfs/dbraw/zinc/13/47/44/168134744.db2.gz LNEKCVMKUOSOPT-JTQLQIEISA-N 0 0 219.313 2.053 50 0 BEAARN CCC(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000008312427 168210877 /nfs/dbraw/zinc/21/08/77/168210877.db2.gz GJHPYPMUKUHDRJ-UHFFFAOYSA-N 0 0 248.326 2.110 50 0 BEAARN CCC(=O)N(CCOC)C[C@@H]1CC=CCC1 ZINC000170611844 168213367 /nfs/dbraw/zinc/21/33/67/168213367.db2.gz CLSYMCWSHDATOA-GFCCVEGCSA-N 0 0 225.332 2.228 50 0 BEAARN CCC(=O)N1C(=S)OC[C@@H]1Cc1ccccc1 ZINC000026893066 168215915 /nfs/dbraw/zinc/21/59/15/168215915.db2.gz RMIDPJIHKSUBCO-NSHDSACASA-N 0 0 249.335 2.151 50 0 BEAARN CCC(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000041171595 168220984 /nfs/dbraw/zinc/22/09/84/168220984.db2.gz OHWRJWICMAUKLQ-LBPRGKRZSA-N 0 0 237.274 2.136 50 0 BEAARN CCC(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000041395307 168221305 /nfs/dbraw/zinc/22/13/05/168221305.db2.gz WQWXLLDIFCHWIN-ZDUSSCGKSA-N 0 0 233.311 2.305 50 0 BEAARN CCC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000064542050 168224954 /nfs/dbraw/zinc/22/49/54/168224954.db2.gz YAKIZGVOARGPBB-UHFFFAOYSA-N 0 0 242.322 2.473 50 0 BEAARN CCC(=O)NCCCNc1cccc(F)c1 ZINC000097372817 168228255 /nfs/dbraw/zinc/22/82/55/168228255.db2.gz YUSQVHXSBLBZCL-UHFFFAOYSA-N 0 0 224.279 2.154 50 0 BEAARN CCC(=O)NCCNc1ccc2ccccc2n1 ZINC000078807287 168230520 /nfs/dbraw/zinc/23/05/20/168230520.db2.gz KSMBDUBBKBQOJE-UHFFFAOYSA-N 0 0 243.310 2.173 50 0 BEAARN CCC(=O)NCCc1c[nH]c(-c2ccccc2)n1 ZINC000013607990 168230580 /nfs/dbraw/zinc/23/05/80/168230580.db2.gz QKPNRIOYAOSWBO-UHFFFAOYSA-N 0 0 243.310 2.145 50 0 BEAARN CCC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000044869435 168230631 /nfs/dbraw/zinc/23/06/31/168230631.db2.gz WVQQBUACVXZTNL-UHFFFAOYSA-N 0 0 243.253 2.357 50 0 BEAARN CCC(=O)NC[C@H](OC)c1ccccc1C ZINC000096104896 168231840 /nfs/dbraw/zinc/23/18/40/168231840.db2.gz QLHUNDJOZXFZIX-LBPRGKRZSA-N 0 0 221.300 2.209 50 0 BEAARN CCC(=O)NCc1ccccc1-c1cncnc1 ZINC000032565167 168233210 /nfs/dbraw/zinc/23/32/10/168233210.db2.gz ZNFHWJMRXXJTIA-UHFFFAOYSA-N 0 0 241.294 2.170 50 0 BEAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1C ZINC000000200691 168238736 /nfs/dbraw/zinc/23/87/36/168238736.db2.gz IWSXPVHJUKMGTP-SECBINFHSA-N 0 0 231.299 2.161 50 0 BEAARN CCC(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000067086376 168239282 /nfs/dbraw/zinc/23/92/82/168239282.db2.gz ALVCBKLPAKZVLL-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN CCC(=O)Nc1c(=O)oc2ccccc2c1NC ZINC000021147885 168241221 /nfs/dbraw/zinc/24/12/21/168241221.db2.gz RXZQKFXMQBYDMH-UHFFFAOYSA-N 0 0 246.266 2.183 50 0 BEAARN CCC(=O)Nc1ccc(Br)cn1 ZINC000000262135 168244598 /nfs/dbraw/zinc/24/45/98/168244598.db2.gz BBIDCRCDYZHCBN-UHFFFAOYSA-N 0 0 229.077 2.193 50 0 BEAARN CCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 ZINC000020535831 168245316 /nfs/dbraw/zinc/24/53/16/168245316.db2.gz BJWIPXZIOUTPMH-UHFFFAOYSA-N 0 0 247.298 2.319 50 0 BEAARN CCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000000477610 168247523 /nfs/dbraw/zinc/24/75/23/168247523.db2.gz ZQCOOFUZAJGELK-UHFFFAOYSA-N 0 0 246.310 2.271 50 0 BEAARN CCC(=O)Nc1sc(C)c(CC)c1C(N)=O ZINC000005477126 168248191 /nfs/dbraw/zinc/24/81/91/168248191.db2.gz DDWOFUXZWZBLBI-UHFFFAOYSA-N 0 0 240.328 2.066 50 0 BEAARN CCC(=O)Nc1nnc(-c2ccccc2OC)o1 ZINC000004329776 168248484 /nfs/dbraw/zinc/24/84/84/168248484.db2.gz MNCFRIJXYMTWED-UHFFFAOYSA-N 0 0 247.254 2.094 50 0 BEAARN CCC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000000083730 168248959 /nfs/dbraw/zinc/24/89/59/168248959.db2.gz FBAWRGHPYXEGQV-UHFFFAOYSA-N 0 0 213.306 2.184 50 0 BEAARN CCC(=O)[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC000331065770 168253692 /nfs/dbraw/zinc/25/36/92/168253692.db2.gz XUBFAIJXNJNRHV-GFCCVEGCSA-N 0 0 249.310 2.182 50 0 BEAARN CCC(=O)c1cc2ccccc2oc1=O ZINC000000424218 168254883 /nfs/dbraw/zinc/25/48/83/168254883.db2.gz AOCROEIFZQWEJI-UHFFFAOYSA-N 0 0 202.209 2.386 50 0 biogenic BEAARN CCC(=O)c1cncc(Br)c1 ZINC000084199256 168259218 /nfs/dbraw/zinc/25/92/18/168259218.db2.gz VAAJPSJYQAMKLK-UHFFFAOYSA-N 0 0 214.062 2.437 50 0 BEAARN CCC(C)(C)COC(=O)c1ccnc(C)n1 ZINC000096442997 168283351 /nfs/dbraw/zinc/28/33/51/168283351.db2.gz OCIOMXJHVXBWOX-UHFFFAOYSA-N 0 0 222.288 2.378 50 0 BEAARN CCC(C)(C)NC(=O)CC[C@@H]1CCCO1 ZINC000040506089 168289081 /nfs/dbraw/zinc/28/90/81/168289081.db2.gz ZLZNWDRIUCUERB-JTQLQIEISA-N 0 0 213.321 2.250 50 0 BEAARN CCC(C)(C)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000012988470 168294866 /nfs/dbraw/zinc/29/48/66/168294866.db2.gz DBBIYBAJZRFYHC-LBPRGKRZSA-N 0 0 233.311 2.295 50 0 BEAARN CCC(C)(C)NC(=O)c1cnc2onc(C)c2c1 ZINC000065369706 168298118 /nfs/dbraw/zinc/29/81/18/168298118.db2.gz SFRQZOVNZJEWOW-UHFFFAOYSA-N 0 0 247.298 2.450 50 0 BEAARN CC(=O)Cc1ccc(OCC(F)F)cc1 ZINC000122886355 411436316 /nfs/dbraw/zinc/43/63/16/411436316.db2.gz ORBQYPZNLVHWSJ-UHFFFAOYSA-N 0 0 214.211 2.462 50 0 BEAARN CCNC(=O)CCCOc1cccc(C(C)=O)c1 ZINC000058344107 170048892 /nfs/dbraw/zinc/04/88/92/170048892.db2.gz WUBHAAOTNPDCMP-UHFFFAOYSA-N 0 0 249.310 2.184 50 0 BEAARN CCNC(=O)CNc1ccc(C)cc1Cl ZINC000009366276 170066923 /nfs/dbraw/zinc/06/69/23/170066923.db2.gz MLNYMLUGHSOEFP-UHFFFAOYSA-N 0 0 226.707 2.196 50 0 BEAARN CCNC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000318830 170067431 /nfs/dbraw/zinc/06/74/31/170067431.db2.gz HWVALRBUTGIXHZ-UHFFFAOYSA-N 0 0 241.718 2.472 50 0 BEAARN CCNC(=O)CSCc1ccc(F)cc1 ZINC000020484510 170068126 /nfs/dbraw/zinc/06/81/26/170068126.db2.gz BWBPBFIYACNHSS-UHFFFAOYSA-N 0 0 227.304 2.195 50 0 BEAARN CCNC(=O)CSc1ccc(C)cc1 ZINC000000450072 170069014 /nfs/dbraw/zinc/06/90/14/170069014.db2.gz QBAIDMLAPXLAGE-UHFFFAOYSA-N 0 0 209.314 2.223 50 0 BEAARN CCNC(=O)Cc1ccc(Br)cc1 ZINC000000456704 170070039 /nfs/dbraw/zinc/07/00/39/170070039.db2.gz WYMOWHKSHZGGNX-UHFFFAOYSA-N 0 0 242.116 2.128 50 0 BEAARN CCNC(=O)Cc1coc2cc(OC)ccc12 ZINC000008267947 170071293 /nfs/dbraw/zinc/07/12/93/170071293.db2.gz AGVJXNVJWTYDCX-UHFFFAOYSA-N 0 0 233.267 2.120 50 0 BEAARN CCNC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000049241794 170072499 /nfs/dbraw/zinc/07/24/99/170072499.db2.gz CAGCRUIVTZALKN-UHFFFAOYSA-N 0 0 248.326 2.259 50 0 BEAARN CCNC(=O)NCc1ccc(-c2ccco2)nc1 ZINC000225753001 170081192 /nfs/dbraw/zinc/08/11/92/170081192.db2.gz FRLMLKVDMRWOQI-UHFFFAOYSA-N 0 0 245.282 2.161 50 0 BEAARN CCNC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000009378289 170096607 /nfs/dbraw/zinc/09/66/07/170096607.db2.gz KFQMABFPJXFADR-QMMMGPOBSA-N 0 0 249.339 2.180 50 0 BEAARN CCNC(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000008041336 170097046 /nfs/dbraw/zinc/09/70/46/170097046.db2.gz WBRSUMUJJQRLDH-NSHDSACASA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000013004767 170103326 /nfs/dbraw/zinc/10/33/26/170103326.db2.gz IJWOQWBMJTZRIP-UHFFFAOYSA-N 0 0 217.190 2.455 50 0 BEAARN CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000013011745 170103907 /nfs/dbraw/zinc/10/39/07/170103907.db2.gz JWMDRRQNALENEU-CABZTGNLSA-N 0 0 246.310 2.031 50 0 BEAARN CCNC(=O)c1n[nH]c2c1C[C@@H](C(C)(C)C)CC2 ZINC000075337229 170104936 /nfs/dbraw/zinc/10/49/36/170104936.db2.gz MEUCARWRMJXZPZ-VIFPVBQESA-N 0 0 249.358 2.310 50 0 BEAARN CCNC(=S)NCCc1c[nH]c2ccccc12 ZINC000005807709 170104999 /nfs/dbraw/zinc/10/49/99/170104999.db2.gz DTNUOHQIAMEWKG-UHFFFAOYSA-N 0 0 247.367 2.194 50 0 BEAARN CCNC(=O)c1sc(C(C)(C)C)nc1C ZINC000065563405 170105279 /nfs/dbraw/zinc/10/52/79/170105279.db2.gz FSVUPGAEIHIQSX-UHFFFAOYSA-N 0 0 226.345 2.499 50 0 BEAARN CCNC(=S)Nc1cc(C)ccc1OC ZINC000000397524 170106456 /nfs/dbraw/zinc/10/64/56/170106456.db2.gz ZXUNCTJJCGQZPY-UHFFFAOYSA-N 0 0 224.329 2.310 50 0 BEAARN CCNC(=S)Nc1ccc2ncoc2c1 ZINC000013571571 170106850 /nfs/dbraw/zinc/10/68/50/170106850.db2.gz RNLAGFDBVAGZNB-UHFFFAOYSA-N 0 0 221.285 2.134 50 0 BEAARN CCNc1c2ccccc2oc(=O)c1NC(C)=O ZINC000100494005 170171620 /nfs/dbraw/zinc/17/16/20/170171620.db2.gz WLQYLVNLRCKQKU-UHFFFAOYSA-N 0 0 246.266 2.183 50 0 BEAARN CCNc1nc(SCCO)nc2ccccc21 ZINC000069452934 170176541 /nfs/dbraw/zinc/17/65/41/170176541.db2.gz YKBQKBMNROSDHO-UHFFFAOYSA-N 0 0 249.339 2.146 50 0 BEAARN CCOC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000002951234 170184064 /nfs/dbraw/zinc/18/40/64/170184064.db2.gz AIJPCEAIDSDITR-UHFFFAOYSA-N 0 0 235.283 2.113 50 0 BEAARN CCOC(=O)C(=O)c1cc(Cl)ccc1C ZINC000043504307 170184579 /nfs/dbraw/zinc/18/45/79/170184579.db2.gz PPAWEHYMWURDOD-UHFFFAOYSA-N 0 0 226.659 2.394 50 0 BEAARN CCOC(=O)C1=C(C)Nc2ccccc2NC1=N ZINC000013684336 170191259 /nfs/dbraw/zinc/19/12/59/170191259.db2.gz GPILVEXLISFHOO-UHFFFAOYSA-N 0 0 245.282 2.338 50 0 BEAARN CCOC(=O)CC(=O)CCc1ccccc1 ZINC000001746585 170193414 /nfs/dbraw/zinc/19/34/14/170193414.db2.gz PRDJGEFZGPKCSG-UHFFFAOYSA-N 0 0 220.268 2.142 50 0 BEAARN CCOC(=O)CC1(O)C2CC3CC(C2)CC1C3 ZINC000004779416 170197817 /nfs/dbraw/zinc/19/78/17/170197817.db2.gz QCERYOQZHQTQQU-UHFFFAOYSA-N 0 0 238.327 2.127 50 0 BEAARN CCOC(=O)CC(F)(F)C(F)(F)F ZINC000095705314 170198251 /nfs/dbraw/zinc/19/82/51/170198251.db2.gz HFCVLBOZWYJMPT-UHFFFAOYSA-N 0 0 206.110 2.137 50 0 BEAARN CCOC(=O)CCC(=O)c1cccs1 ZINC000003886156 170198750 /nfs/dbraw/zinc/19/87/50/170198750.db2.gz RJEMGPWSHASQJF-UHFFFAOYSA-N 0 0 212.270 2.274 50 0 BEAARN CCOC(=O)CCSc1ccc(C)cn1 ZINC000179795087 170210934 /nfs/dbraw/zinc/21/09/34/170210934.db2.gz UXTXNFDXUOCXPR-UHFFFAOYSA-N 0 0 225.313 2.435 50 0 BEAARN CCOC(=O)CCOCc1ccc(OC)cc1 ZINC000036985612 170211267 /nfs/dbraw/zinc/21/12/67/170211267.db2.gz SDERCAFEELAFRR-UHFFFAOYSA-N 0 0 238.283 2.165 50 0 BEAARN CCOC(=O)CCc1ccc(OC)c(OC)c1 ZINC000001706002 170211577 /nfs/dbraw/zinc/21/15/77/170211577.db2.gz GFAGDEMAMZYNAI-UHFFFAOYSA-N 0 0 238.283 2.200 50 0 BEAARN CCOC(=O)CCc1c(C)nn(CC)c1C ZINC000009305313 170211811 /nfs/dbraw/zinc/21/18/11/170211811.db2.gz LHRFBVYTMCLLEO-UHFFFAOYSA-N 0 0 224.304 2.016 50 0 BEAARN CCOC(=O)CN(CC)Cc1ccccc1 ZINC000020361289 170216862 /nfs/dbraw/zinc/21/68/62/170216862.db2.gz IKKYKXBJOFOTGT-UHFFFAOYSA-N 0 0 221.300 2.072 50 0 BEAARN CCOC(=O)COc1ccc2c(c1)CCC2 ZINC000001459117 170228981 /nfs/dbraw/zinc/22/89/81/170228981.db2.gz VSLWQMNRYXBUGY-UHFFFAOYSA-N 0 0 220.268 2.117 50 0 BEAARN CCOC(=O)COc1ccc(C)cc1C ZINC000003108114 170229099 /nfs/dbraw/zinc/22/90/99/170229099.db2.gz BFQNVMOPPFUZPF-UHFFFAOYSA-N 0 0 208.257 2.245 50 0 BEAARN CCOC(=O)COc1ccc(F)cc1Cl ZINC000006655593 170229237 /nfs/dbraw/zinc/22/92/37/170229237.db2.gz RMTLJDPEVFSUKM-UHFFFAOYSA-N 0 0 232.638 2.421 50 0 BEAARN CCOC(=O)CSc1nc(C)cs1 ZINC000000115884 170229673 /nfs/dbraw/zinc/22/96/73/170229673.db2.gz AEHJWTJQWILCQF-UHFFFAOYSA-N 0 0 217.315 2.107 50 0 BEAARN CCOC(=O)Cc1cc(F)cc(F)c1OC ZINC000261202385 170235192 /nfs/dbraw/zinc/23/51/92/170235192.db2.gz CIZRWQWYNITFPL-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1c(F)cc(OC)cc1F ZINC000261066754 170235297 /nfs/dbraw/zinc/23/52/97/170235297.db2.gz ODMUCNNLUJBLCE-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1cc(Cl)ccc1OC ZINC000049821272 170235367 /nfs/dbraw/zinc/23/53/67/170235367.db2.gz LZWYTJLQTXARCN-UHFFFAOYSA-N 0 0 228.675 2.454 50 0 BEAARN CCOC(=O)Cc1cc(F)cc(F)c1F ZINC000043503694 170235388 /nfs/dbraw/zinc/23/53/88/170235388.db2.gz NIEIIMWTZHORRK-UHFFFAOYSA-N 0 0 218.174 2.210 50 0 BEAARN CCOC(=O)Cc1ccc(OCC)cc1 ZINC000002510140 170236482 /nfs/dbraw/zinc/23/64/82/170236482.db2.gz KZWVNVPYBUGYTA-UHFFFAOYSA-N 0 0 208.257 2.191 50 0 BEAARN CCOC(=O)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000000333136 170236755 /nfs/dbraw/zinc/23/67/55/170236755.db2.gz COAIGDWAGRYSIR-UHFFFAOYSA-N 0 0 238.674 2.322 50 0 BEAARN CCOC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000038569720 170239690 /nfs/dbraw/zinc/23/96/90/170239690.db2.gz UAHRRCXTBVMZEY-LBPRGKRZSA-N 0 0 235.283 2.216 50 0 BEAARN CCOC(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000085557866 170242688 /nfs/dbraw/zinc/24/26/88/170242688.db2.gz LARSDYQCLLOKLK-UHFFFAOYSA-N 0 0 245.282 2.323 50 0 BEAARN CCOC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000070265878 170243006 /nfs/dbraw/zinc/24/30/06/170243006.db2.gz XVOLBJCYNFCTEZ-QWRGUYRKSA-N 0 0 205.257 2.289 50 0 BEAARN CCOC(=O)Nc1c2ccccc2oc1C(N)=O ZINC000004852059 170243186 /nfs/dbraw/zinc/24/31/86/170243186.db2.gz HGGMPCYHYQULKW-UHFFFAOYSA-N 0 0 248.238 2.100 50 0 BEAARN CCOC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000116394 170244180 /nfs/dbraw/zinc/24/41/80/170244180.db2.gz ATSBYHRDASJHSQ-UHFFFAOYSA-N 0 0 223.228 2.042 50 0 BEAARN CCOC(=O)Nc1ccc(Br)cn1 ZINC000000050101 170244197 /nfs/dbraw/zinc/24/41/97/170244197.db2.gz SJKTUPAXGHJDEB-UHFFFAOYSA-N 0 0 245.076 2.413 50 0 BEAARN CCOC(=O)[C@@H](CCC(C)C)C(C)=O ZINC000005830773 170250766 /nfs/dbraw/zinc/25/07/66/170250766.db2.gz PISGMHLBJJGKRM-JTQLQIEISA-N 0 0 200.278 2.191 50 0 BEAARN CCOC(=O)[C@@H](Sc1ncc[nH]1)C(C)C ZINC000179861928 170256159 /nfs/dbraw/zinc/25/61/59/170256159.db2.gz IDSNQCFURTWGJH-QMMMGPOBSA-N 0 0 228.317 2.090 50 0 BEAARN CCOC(=O)[C@H](C)Cc1ccc(O)c(F)c1 ZINC000091297429 170264930 /nfs/dbraw/zinc/26/49/30/170264930.db2.gz ZAGOMRAXNFCQIK-MRVPVSSYSA-N 0 0 226.247 2.273 50 0 BEAARN CCOC(=O)[C@H](C)P(=O)(OCC)OCC ZINC000003861285 170269143 /nfs/dbraw/zinc/26/91/43/170269143.db2.gz BVSRWCMAJISCTD-QMMMGPOBSA-N 0 0 238.220 2.204 50 0 BEAARN CCOC(=O)[C@H](CC)Sc1nc(C)co1 ZINC000225550842 170272707 /nfs/dbraw/zinc/27/27/07/170272707.db2.gz QMRSPOPCIVORAK-QMMMGPOBSA-N 0 0 229.301 2.417 50 0 BEAARN CCOC(=O)[C@H](Cc1ccc(C)cc1)C(C)=O ZINC000022611119 170274164 /nfs/dbraw/zinc/27/41/64/170274164.db2.gz PGMCRCMQNWICNI-CYBMUJFWSA-N 0 0 234.295 2.306 50 0 BEAARN CCOC(=O)[C@H](N)Cc1cccc2ccccc21 ZINC000033615156 170275960 /nfs/dbraw/zinc/27/59/60/170275960.db2.gz GPRJPDYNXGVBNC-CQSZACIVSA-N 0 0 243.306 2.273 50 0 BEAARN CCOC(=O)[C@H]1CCNc2ccccc21 ZINC000040448693 170280651 /nfs/dbraw/zinc/28/06/51/170280651.db2.gz KAPGAOSLPHJFCS-JTQLQIEISA-N 0 0 205.257 2.149 50 0 BEAARN CCOC(=O)[C@H]1CS[C@@H](C2CCCCC2)N1 ZINC000098072745 170282178 /nfs/dbraw/zinc/28/21/78/170282178.db2.gz JCJZOMFERPNRMY-MNOVXSKESA-N 0 0 243.372 2.161 50 0 BEAARN CCOC(=O)[C@H]1CS[C@H](C2CCCCC2)N1 ZINC000098072743 170282405 /nfs/dbraw/zinc/28/24/05/170282405.db2.gz JCJZOMFERPNRMY-GHMZBOCLSA-N 0 0 243.372 2.161 50 0 BEAARN CCOC(=O)[C@](O)(CC)CCC(C)C ZINC000001649062 170285627 /nfs/dbraw/zinc/28/56/27/170285627.db2.gz AMNKKYLKEPTSGP-NSHDSACASA-N 0 0 202.294 2.127 50 0 BEAARN CCOC(=O)c1c(C)c(C(C)=O)c(C)n1C ZINC000000338630 170287775 /nfs/dbraw/zinc/28/77/75/170287775.db2.gz OPWGWIFGFWQEEQ-UHFFFAOYSA-N 0 0 223.272 2.021 50 0 BEAARN CCOC(=O)c1c(C)c2ccccc2[nH]c1=O ZINC000006665511 170287867 /nfs/dbraw/zinc/28/78/67/170287867.db2.gz ACXKEQLFCAGHAJ-UHFFFAOYSA-N 0 0 231.251 2.013 50 0 BEAARN CCOC(=O)c1c(C)nc2cc(C)cc(C)n21 ZINC000001403457 170288319 /nfs/dbraw/zinc/28/83/19/170288319.db2.gz HYPYGJKUZKWKQZ-UHFFFAOYSA-N 0 0 232.283 2.436 50 0 BEAARN CCOC(=O)c1c(N)sc2c1cccc2N ZINC000000103069 170289340 /nfs/dbraw/zinc/28/93/40/170289340.db2.gz NIYGJLVVANWWDH-UHFFFAOYSA-N 0 0 236.296 2.242 50 0 BEAARN CCOC(=O)c1cnc2[nH]ccc(Cl)c1-2 ZINC000095627129 170289779 /nfs/dbraw/zinc/28/97/79/170289779.db2.gz KLUYWIPXVPAABV-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1c2cc(O)ccc2n2c1CCC2 ZINC000000847305 170290129 /nfs/dbraw/zinc/29/01/29/170290129.db2.gz RULLULHXQRMGMI-UHFFFAOYSA-N 0 0 245.278 2.470 50 0 BEAARN CCOC(=O)c1cc(-c2ccco2)on1 ZINC000004200674 170290407 /nfs/dbraw/zinc/29/04/07/170290407.db2.gz KQWAZLUOYYQTIE-UHFFFAOYSA-N 0 0 207.185 2.111 50 0 BEAARN CCOC(=O)c1cc(-c2ccccc2F)[nH]n1 ZINC000071978729 170291014 /nfs/dbraw/zinc/29/10/14/170291014.db2.gz TYNHZJIRUOFSMO-UHFFFAOYSA-N 0 0 234.230 2.393 50 0 BEAARN CCOC(=O)c1cc2c(cccc2O)[nH]1 ZINC000039439763 170293343 /nfs/dbraw/zinc/29/33/43/170293343.db2.gz ZJZAFABAVBYFQO-UHFFFAOYSA-N 0 0 205.213 2.050 50 0 BEAARN CCOC(=O)c1cc2[nH]c(C)ccc-2n1 ZINC000095627146 170294318 /nfs/dbraw/zinc/29/43/18/170294318.db2.gz DUSJLJWAHJVCEC-UHFFFAOYSA-N 0 0 204.229 2.048 50 0 BEAARN CCOC(=O)c1ccc(-n2ccnc2)cc1 ZINC000039645635 170294330 /nfs/dbraw/zinc/29/43/30/170294330.db2.gz JXZSKUXJSZZMON-UHFFFAOYSA-N 0 0 216.240 2.049 50 0 BEAARN CCOC(=O)c1ccc(Br)cc1O ZINC000044489750 170294448 /nfs/dbraw/zinc/29/44/48/170294448.db2.gz RTHJADUNBHFLSF-UHFFFAOYSA-N 0 0 245.072 2.331 50 0 BEAARN CCOC(=O)c1ccc(Br)c(N)c1 ZINC000041086415 170294647 /nfs/dbraw/zinc/29/46/47/170294647.db2.gz PPVXNRMIVXWQKP-UHFFFAOYSA-N 0 0 244.088 2.208 50 0 BEAARN CCOC(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000095864151 170295749 /nfs/dbraw/zinc/29/57/49/170295749.db2.gz XRENMYOMRGLFRI-UHFFFAOYSA-N 0 0 207.151 2.210 50 0 BEAARN CCOC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000000038382 170296213 /nfs/dbraw/zinc/29/62/13/170296213.db2.gz FFEJMKMYJLKOID-UHFFFAOYSA-N 0 0 233.267 2.212 50 0 BEAARN CCOC(=O)c1ccc(O)c2ncccc12 ZINC000059215848 170297342 /nfs/dbraw/zinc/29/73/42/170297342.db2.gz LYFNAHDRMCPGLF-UHFFFAOYSA-N 0 0 217.224 2.117 50 0 BEAARN CCOC(=O)c1cccc(C(=O)CC)c1 ZINC000002580258 170298702 /nfs/dbraw/zinc/29/87/02/170298702.db2.gz XQNCAVMEDFISSU-UHFFFAOYSA-N 0 0 206.241 2.456 50 0 BEAARN CCOC(=O)c1ccn(-c2ccccc2F)n1 ZINC000032929975 170300237 /nfs/dbraw/zinc/30/02/37/170300237.db2.gz SNHNJYFEMIDMMM-UHFFFAOYSA-N 0 0 234.230 2.188 50 0 BEAARN CCOC(=O)c1cnc(SC)nc1C1CC1 ZINC000095707413 170301542 /nfs/dbraw/zinc/30/15/42/170301542.db2.gz JWQNZVNBLPBLTB-UHFFFAOYSA-N 0 0 238.312 2.253 50 0 BEAARN CCOC(=O)c1cnc2c(OC)cccc2c1N ZINC000001427100 170302436 /nfs/dbraw/zinc/30/24/36/170302436.db2.gz SPRGAHPOKSLQPQ-UHFFFAOYSA-N 0 0 246.266 2.002 50 0 BEAARN CCOC(=O)c1cnc2cc(Cl)ccn12 ZINC000089202060 170302450 /nfs/dbraw/zinc/30/24/50/170302450.db2.gz PRZDNEWTCXZFFJ-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1cnn(Cc2ccc(C)cc2)c1 ZINC000091696037 170304895 /nfs/dbraw/zinc/30/48/95/170304895.db2.gz DVKDDCAIRBMOGF-UHFFFAOYSA-N 0 0 244.294 2.417 50 0 BEAARN CCOC(=O)c1nc(-c2ccccc2F)no1 ZINC000012396927 170305455 /nfs/dbraw/zinc/30/54/55/170305455.db2.gz JPHYBXRGMMEZJJ-UHFFFAOYSA-N 0 0 236.202 2.052 50 0 BEAARN CCOC(=O)c1csc(SC)n1 ZINC000034926225 170305642 /nfs/dbraw/zinc/30/56/42/170305642.db2.gz CTQNPBGNKPCYSR-UHFFFAOYSA-N 0 0 203.288 2.042 50 0 BEAARN CCOC(=O)c1n[nH]c(C(F)(F)F)c1Cl ZINC000072319854 170305989 /nfs/dbraw/zinc/30/59/89/170305989.db2.gz ZZAXJKKEFLFPKU-UHFFFAOYSA-N 0 0 242.584 2.259 50 0 BEAARN CCOC(=O)c1nc(Cl)nc2ccccc21 ZINC000035270030 170307088 /nfs/dbraw/zinc/30/70/88/170307088.db2.gz KLQNJTKSLRIEAW-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1nc2ccccn2c1Cl ZINC000015020352 170307300 /nfs/dbraw/zinc/30/73/00/170307300.db2.gz ORQQVELGTHMBNA-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1ncc2cc(C)ccc2n1 ZINC000036075754 170308213 /nfs/dbraw/zinc/30/82/13/170308213.db2.gz FVFIWISFAUSWRI-UHFFFAOYSA-N 0 0 216.240 2.115 50 0 BEAARN CCOC(=O)c1sc(N)nc1C(C)C ZINC000000343079 170310497 /nfs/dbraw/zinc/31/04/97/170310497.db2.gz SAYUBFVIKXSBTI-UHFFFAOYSA-N 0 0 214.290 2.025 50 0 BEAARN CCOCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032819547 170340818 /nfs/dbraw/zinc/34/08/18/170340818.db2.gz FPCXYDXSFSIYAL-NWDGAFQWSA-N 0 0 225.332 2.204 50 0 BEAARN CCOCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000003897585 170343741 /nfs/dbraw/zinc/34/37/41/170343741.db2.gz RWQMIZPNBBYOLE-UHFFFAOYSA-N 0 0 237.343 2.108 50 0 BEAARN CCOCC(=O)N[C@@H]1CCCC[C@H]1SCC ZINC000096456051 170346523 /nfs/dbraw/zinc/34/65/23/170346523.db2.gz QJSWIDIUTOJGKL-GHMZBOCLSA-N 0 0 245.388 2.203 50 0 BEAARN CCOCC(=O)Nc1ccc(Cl)cc1 ZINC000002069478 170348382 /nfs/dbraw/zinc/34/83/82/170348382.db2.gz XFOAUXLEMCNTBR-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN CCOCC(=O)Nc1ccc(C)cc1C ZINC000002069475 170348399 /nfs/dbraw/zinc/34/83/99/170348399.db2.gz MTCFVSYYTKQIIB-UHFFFAOYSA-N 0 0 207.273 2.278 50 0 BEAARN CCOCC(=O)Nc1cc(Cl)ccc1OC ZINC000004685278 170348693 /nfs/dbraw/zinc/34/86/93/170348693.db2.gz NTIBHFVIJVRZLQ-UHFFFAOYSA-N 0 0 243.690 2.324 50 0 BEAARN CCOCC(=O)Nc1cccc(Cl)c1 ZINC000002069480 170349053 /nfs/dbraw/zinc/34/90/53/170349053.db2.gz XOJLXANRZCJLDC-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN CCOCCC(=O)Nc1cc(C)ccc1OC ZINC000004808825 170363257 /nfs/dbraw/zinc/36/32/57/170363257.db2.gz PCHQTWUPCSNSAM-UHFFFAOYSA-N 0 0 237.299 2.369 50 0 BEAARN CCOCCCNC(=O)c1c[nH]c2ccccc12 ZINC000014233357 170379009 /nfs/dbraw/zinc/37/90/09/170379009.db2.gz LXZDWAJDFAVJEI-UHFFFAOYSA-N 0 0 246.310 2.324 50 0 BEAARN CCOCCCNC(=O)c1sccc1C ZINC000040160989 170379704 /nfs/dbraw/zinc/37/97/04/170379704.db2.gz IYEAHOZYJSFUTK-UHFFFAOYSA-N 0 0 227.329 2.213 50 0 BEAARN CCOc1ccc(CNC(=O)CC)cc1 ZINC000071376465 170544732 /nfs/dbraw/zinc/54/47/32/170544732.db2.gz FVCIOOWENFMQCU-UHFFFAOYSA-N 0 0 207.273 2.112 50 0 BEAARN CCOc1cccc(NC(=O)N(CC)C2CC2)n1 ZINC000097378707 170580633 /nfs/dbraw/zinc/58/06/33/170580633.db2.gz NOOHCMBJWXKQSA-UHFFFAOYSA-N 0 0 249.314 2.497 50 0 BEAARN CCOc1cccc(NC(=O)c2cscn2)n1 ZINC000096445108 170582017 /nfs/dbraw/zinc/58/20/17/170582017.db2.gz AJSOTKSFWQFXMD-UHFFFAOYSA-N 0 0 249.295 2.189 50 0 BEAARN CCOc1cccc2c1O[C@H](C)C(=O)N(CC)C2 ZINC000064542506 170588256 /nfs/dbraw/zinc/58/82/56/170588256.db2.gz OBCWWCWCUCWMSU-SNVBAGLBSA-N 0 0 249.310 2.215 50 0 BEAARN CCOc1ccccc1C(=O)NCC(C)C ZINC000000484518 170589613 /nfs/dbraw/zinc/58/96/13/170589613.db2.gz RGACJHRMIOZCEY-UHFFFAOYSA-N 0 0 221.300 2.471 50 0 BEAARN Cc1csc(NC(=O)/C=C/c2ccncc2)n1 ZINC000012422084 411748484 /nfs/dbraw/zinc/74/84/84/411748484.db2.gz SROGVICUYLNOQO-NSCUHMNNSA-N 0 0 245.307 2.498 50 0 BEAARN CCOc1nc(N2CCCCC2)sc1C=O ZINC000014000129 170602773 /nfs/dbraw/zinc/60/27/73/170602773.db2.gz JSGYUBJDIXJKEA-UHFFFAOYSA-N 0 0 240.328 2.345 50 0 BEAARN CCSCc1cccc(NC(N)=O)c1 ZINC000096435250 170644205 /nfs/dbraw/zinc/64/42/05/170644205.db2.gz BGBFTQLMFBDWKJ-UHFFFAOYSA-N 0 0 210.302 2.430 50 0 BEAARN CCS[C@H]1CCCC[N@H+](CCCC(=O)[O-])C1 ZINC000116400987 170651452 /nfs/dbraw/zinc/65/14/52/170651452.db2.gz CNHFRDDXJVRKHS-NSHDSACASA-N 0 0 245.388 2.459 50 0 BEAARN CCSc1nncn1-c1ccccc1 ZINC000069386288 170658495 /nfs/dbraw/zinc/65/84/95/170658495.db2.gz DSEWIOQBUOTLEC-UHFFFAOYSA-N 0 0 205.286 2.379 50 0 BEAARN CC[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004524785 170681232 /nfs/dbraw/zinc/68/12/32/170681232.db2.gz AWXFSVXURCACKL-SECBINFHSA-N 0 0 235.283 2.078 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(Cl)ccn1 ZINC000036804039 170747678 /nfs/dbraw/zinc/74/76/78/170747678.db2.gz YPOCXYXNRVHYJZ-SSDOTTSWSA-N 0 0 212.680 2.263 50 0 BEAARN CC[C@@H](C)[C@@H](OC)C(=O)Nc1nc(C)cs1 ZINC000331036078 170784922 /nfs/dbraw/zinc/78/49/22/170784922.db2.gz NANNIWCFNZHGGS-VXNVDRBHSA-N 0 0 242.344 2.451 50 0 BEAARN CC[C@@H](CO)NC(=O)c1cccc2ccccc21 ZINC000000409099 170839199 /nfs/dbraw/zinc/83/91/99/170839199.db2.gz UKWYJAUZEZLFJW-LBPRGKRZSA-N 0 0 243.306 2.341 50 0 BEAARN CC[C@@H](COC)Nc1ccc([S@](C)=O)cc1 ZINC000097101624 170850351 /nfs/dbraw/zinc/85/03/51/170850351.db2.gz CVHCIELERLTZPJ-MGPLVRAMSA-N 0 0 241.356 2.261 50 0 BEAARN CC[C@@H]1[C@@H](NC(=O)c2ccoc2C)[C@@H]2CCO[C@H]12 ZINC000219381799 171157559 /nfs/dbraw/zinc/15/75/59/171157559.db2.gz XUVPCFLDZULKER-GWNIPJSYSA-N 0 0 249.310 2.131 50 0 BEAARN CC[C@@H]1c2cccn2CCN1C(=O)c1ccno1 ZINC000077539930 171161842 /nfs/dbraw/zinc/16/18/42/171161842.db2.gz LJTCGWYWJAKLSP-SNVBAGLBSA-N 0 0 245.282 2.083 50 0 BEAARN CC[C@@](C)(CO)NC(=O)c1ccc(F)cc1C ZINC000097081763 171169872 /nfs/dbraw/zinc/16/98/72/171169872.db2.gz PTYZNSLMXLHLHD-ZDUSSCGKSA-N 0 0 239.290 2.025 50 0 BEAARN CC[C@@](C)(O)CNC(=O)c1ccc(C)cc1F ZINC000094239563 171182960 /nfs/dbraw/zinc/18/29/60/171182960.db2.gz STJDNTTXSNOXEL-CYBMUJFWSA-N 0 0 239.290 2.025 50 0 BEAARN CC[C@@](CNC(C)=O)(OC)c1ccccc1 ZINC000096123674 171193672 /nfs/dbraw/zinc/19/36/72/171193672.db2.gz RJSGVGWKQPNAKY-ZDUSSCGKSA-N 0 0 221.300 2.074 50 0 BEAARN CC[C@@]1(C)CC(=O)c2cc(N)ccc2O1 ZINC000012647904 171197462 /nfs/dbraw/zinc/19/74/62/171197462.db2.gz MGMIRIXEBOIMGO-LBPRGKRZSA-N 0 0 205.257 2.403 50 0 BEAARN CC[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000000030459 171229871 /nfs/dbraw/zinc/22/98/71/171229871.db2.gz XNCVDGVEKBXSSH-KGLIPLIRSA-N 0 0 247.338 2.475 50 0 BEAARN CC[C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000036420720 171242089 /nfs/dbraw/zinc/24/20/89/171242089.db2.gz BNODHOQXKOUMHA-NSHDSACASA-N 0 0 208.257 2.362 50 0 BEAARN CC[C@H](C)CN(C)C(=O)c1ccc2n[nH]nc2c1 ZINC000071896642 171271846 /nfs/dbraw/zinc/27/18/46/171271846.db2.gz RTQCZZXCVMGWHE-VIFPVBQESA-N 0 0 246.314 2.076 50 0 BEAARN CC[C@H](C)CN(C)c1ccnc(N(C)C)n1 ZINC000077219676 171276201 /nfs/dbraw/zinc/27/62/01/171276201.db2.gz KICZLQXVQSRTAR-JTQLQIEISA-N 0 0 222.336 2.025 50 0 BEAARN CC[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000005924886 171317468 /nfs/dbraw/zinc/31/74/68/171317468.db2.gz ZTXOTHWCDVUQRM-QMMMGPOBSA-N 0 0 203.241 2.081 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(-c2ccco2)on1 ZINC000002602347 171336446 /nfs/dbraw/zinc/33/64/46/171336446.db2.gz LADVWOMSKJIPMA-QMMMGPOBSA-N 0 0 234.255 2.463 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000002497950 171336617 /nfs/dbraw/zinc/33/66/17/171336617.db2.gz JGDUMIBAOOVVLK-ZETCQYMHSA-N 0 0 208.261 2.080 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc2snnc2c1 ZINC000006809194 171337553 /nfs/dbraw/zinc/33/75/53/171337553.db2.gz KBJCOMZTDIBBGL-ZETCQYMHSA-N 0 0 235.312 2.220 50 0 BEAARN CC[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1 ZINC000016577611 171345264 /nfs/dbraw/zinc/34/52/64/171345264.db2.gz XOWXYIUZPZVSRP-VIFPVBQESA-N 0 0 245.319 2.044 50 0 BEAARN CC[C@H](C)[C@@H](C)Nc1ncnc2c1cnn2C ZINC000042417215 171367938 /nfs/dbraw/zinc/36/79/38/171367938.db2.gz VRGQQBLIBHVYMT-DTWKUNHWSA-N 0 0 233.319 2.210 50 0 BEAARN CC[C@H](C)[C@@H](O)CNc1cccc(C)n1 ZINC000157543433 171378859 /nfs/dbraw/zinc/37/88/59/171378859.db2.gz XQEGDIUYULCXIN-ONGXEEELSA-N 0 0 208.305 2.209 50 0 BEAARN CC[C@H](C)[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005925391 171382264 /nfs/dbraw/zinc/38/22/64/171382264.db2.gz NMRFWXLNHGJLIU-ONGXEEELSA-N 0 0 248.351 2.322 50 0 BEAARN CC[C@H](C)n1c2c(c(=S)[nH]c1=O)CCC2 ZINC000008737545 171416173 /nfs/dbraw/zinc/41/61/73/171416173.db2.gz FUKVSCHATSDMHG-ZETCQYMHSA-N 0 0 224.329 2.366 50 0 BEAARN CCc1ccc(NC(=O)COC(=O)C2CC2)cc1 ZINC000003392895 171817707 /nfs/dbraw/zinc/81/77/07/171817707.db2.gz JIJLXKAZUXFMOB-UHFFFAOYSA-N 0 0 247.294 2.141 50 0 BEAARN CCc1nc(S[C@H](C)CCCOC)n[nH]1 ZINC000089279786 171936063 /nfs/dbraw/zinc/93/60/63/171936063.db2.gz CXMDOPBOJDNBKX-MRVPVSSYSA-N 0 0 229.349 2.274 50 0 BEAARN CCc1ncc([C@@H](O)c2ccccc2)n1C ZINC000000182907 172023203 /nfs/dbraw/zinc/02/32/03/172023203.db2.gz UAZJDTSAQSFZKG-ZDUSSCGKSA-N 0 0 216.284 2.064 50 0 BEAARN CCc1ncc2c(n1)CN(CC=C(C)C)CC2 ZINC000072268481 172024263 /nfs/dbraw/zinc/02/42/63/172024263.db2.gz IXJWOFJCSSBJIS-UHFFFAOYSA-N 0 0 231.343 2.363 50 0 BEAARN CCc1nn2c(nnc2-c2cccs2)s1 ZINC000006668737 172044899 /nfs/dbraw/zinc/04/48/99/172044899.db2.gz SSDFNRDTAXRAFK-UHFFFAOYSA-N 0 0 236.325 2.477 50 0 BEAARN CCc1nnc(S[C@H](C)C(F)(F)F)n1C ZINC000095427491 172064839 /nfs/dbraw/zinc/06/48/39/172064839.db2.gz UOWHFCNIXMUFID-RXMQYKEDSA-N 0 0 239.266 2.420 50 0 BEAARN CCc1nnc(NC(=O)c2ccccc2O)s1 ZINC000000072631 172059336 /nfs/dbraw/zinc/05/93/36/172059336.db2.gz KSNRPWQFQKOBNN-UHFFFAOYSA-N 0 0 249.295 2.058 50 0 BEAARN CCc1nnc([C@@H]2Cc3ccccc3CN2)o1 ZINC000057214415 172066638 /nfs/dbraw/zinc/06/66/38/172066638.db2.gz WGWLZUXULQNFCP-NSHDSACASA-N 0 0 229.283 2.019 50 0 BEAARN CCc1noc(C)c1C(=O)NC(C)(C)C ZINC000016603636 172073382 /nfs/dbraw/zinc/07/33/82/172073382.db2.gz XYHYTIPZYVDNEZ-UHFFFAOYSA-N 0 0 210.277 2.074 50 0 BEAARN CCc1nsc(N2CCCCCC2)n1 ZINC000080761261 172103254 /nfs/dbraw/zinc/10/32/54/172103254.db2.gz ISXBQKFPPOXHNO-UHFFFAOYSA-N 0 0 211.334 2.481 50 0 BEAARN CCc1nsc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000089295508 172104326 /nfs/dbraw/zinc/10/43/26/172104326.db2.gz LNPGXBACHGIEHL-IUCAKERBSA-N 0 0 223.345 2.337 50 0 BEAARN CCc1nsc(N2CCC[C@@H]2CF)n1 ZINC000336381619 172104849 /nfs/dbraw/zinc/10/48/49/172104849.db2.gz OACKOFNKHFYZLS-SSDOTTSWSA-N 0 0 215.297 2.039 50 0 BEAARN CCc1nsc(NCc2c(C)noc2C)n1 ZINC000086113258 172107119 /nfs/dbraw/zinc/10/71/19/172107119.db2.gz GWRBYVARNRHKLX-UHFFFAOYSA-N 0 0 238.316 2.317 50 0 BEAARN CCc1ocnc1C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072172492 172120484 /nfs/dbraw/zinc/12/04/84/172120484.db2.gz DVKMEJNIVREGLG-PHIMTYICSA-N 0 0 246.310 2.275 50 0 BEAARN CCc1ocnc1C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000096456025 172121029 /nfs/dbraw/zinc/12/10/29/172121029.db2.gz KARSBOKPUNTRIE-QWRGUYRKSA-N 0 0 248.326 2.499 50 0 BEAARN CCc1onc2cc3c(cc21)OCCO3 ZINC000004006188 172126815 /nfs/dbraw/zinc/12/68/15/172126815.db2.gz WBMILYQEWQGEKS-UHFFFAOYSA-N 0 0 205.213 2.161 50 0 BEAARN CCn1c2ccccc2nc1-c1ccc[nH]c1=O ZINC000018068107 172131037 /nfs/dbraw/zinc/13/10/37/172131037.db2.gz VCTLTZMCGYFQAU-UHFFFAOYSA-N 0 0 239.278 2.412 50 0 BEAARN CCn1cc(-c2ccccc2)c2nc[nH]c(=O)c21 ZINC000057519851 172148603 /nfs/dbraw/zinc/14/86/03/172148603.db2.gz FXXAKFPJCHCKEI-UHFFFAOYSA-N 0 0 239.278 2.412 50 0 BEAARN CCn1cc(C(=O)OCC=C(C)C)cn1 ZINC000181462329 172156812 /nfs/dbraw/zinc/15/68/12/172156812.db2.gz HNPZOQNITXJNKL-UHFFFAOYSA-N 0 0 208.261 2.026 50 0 BEAARN CCn1cc(C(=O)Nc2ccc(O)cc2F)cn1 ZINC000097237008 172157139 /nfs/dbraw/zinc/15/71/39/172157139.db2.gz CBCLANRFVFZZEG-UHFFFAOYSA-N 0 0 249.245 2.000 50 0 BEAARN CCn1cc(NC(=O)Cc2cccs2)cn1 ZINC000058380681 172179711 /nfs/dbraw/zinc/17/97/11/172179711.db2.gz ZWGVJFFJOBSXJG-UHFFFAOYSA-N 0 0 235.312 2.146 50 0 BEAARN CCn1cc(NC(=O)c2ccccc2OC)cn1 ZINC000058378367 172183857 /nfs/dbraw/zinc/18/38/57/172183857.db2.gz IMFCERADJAQMSM-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN CCn1ccc(NC(=O)NC2CCCCC2)n1 ZINC000027929652 172200873 /nfs/dbraw/zinc/20/08/73/172200873.db2.gz YBJCVGQCULUWFF-UHFFFAOYSA-N 0 0 236.319 2.357 50 0 BEAARN CCn1ccc(NC(=O)c2cccc(F)c2)n1 ZINC000064555674 172201100 /nfs/dbraw/zinc/20/11/00/172201100.db2.gz ZWDPUMGGNVELDJ-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN CCn1ccc(NC(=O)c2ccoc2C)n1 ZINC000028227971 172201535 /nfs/dbraw/zinc/20/15/35/172201535.db2.gz PGVGCTQIWWFXHC-UHFFFAOYSA-N 0 0 219.244 2.057 50 0 BEAARN CCn1ccc2ccc(OC)cc2c1=O ZINC000004954384 172201567 /nfs/dbraw/zinc/20/15/67/172201567.db2.gz GUHNBPJOVHRCSG-UHFFFAOYSA-N 0 0 203.241 2.030 50 0 BEAARN CCn1ccc(NC(=O)C2CCCC2)n1 ZINC000028228068 172201919 /nfs/dbraw/zinc/20/19/19/172201919.db2.gz PUNPGKYNCJLFPH-UHFFFAOYSA-N 0 0 207.277 2.032 50 0 BEAARN CCn1ccn2nc(-c3ccccc3)cc2c1=O ZINC000263617353 172210618 /nfs/dbraw/zinc/21/06/18/172210618.db2.gz NJCYQBWRSQABHH-UHFFFAOYSA-N 0 0 239.278 2.183 50 0 BEAARN CCn1cncc1CN1C[C@@H](CC(C)C)CC1=O ZINC000095511587 172233725 /nfs/dbraw/zinc/23/37/25/172233725.db2.gz FQMFFANSCFRTHD-LBPRGKRZSA-N 0 0 249.358 2.298 50 0 BEAARN CCn1nc(C)c(CNc2cc(C)on2)c1C ZINC000097045254 172246965 /nfs/dbraw/zinc/24/69/65/172246965.db2.gz IXYVMUWGDFQZPR-UHFFFAOYSA-N 0 0 234.303 2.428 50 0 BEAARN CCn1nccc1CN(C)C(=O)C1CCCC1 ZINC000028219226 172263731 /nfs/dbraw/zinc/26/37/31/172263731.db2.gz PHNDHMCPCLCYFR-UHFFFAOYSA-N 0 0 235.331 2.052 50 0 BEAARN CCn1nccc1CNC(=O)c1cc(C)oc1C ZINC000028219487 172268487 /nfs/dbraw/zinc/26/84/87/172268487.db2.gz NVFQZBQVKICYRN-UHFFFAOYSA-N 0 0 247.298 2.043 50 0 BEAARN CCn1nccc1CN1CCc2ccccc21 ZINC000180546312 172269475 /nfs/dbraw/zinc/26/94/75/172269475.db2.gz UJZIPHFULCNGHH-UHFFFAOYSA-N 0 0 227.311 2.466 50 0 BEAARN CCn1nnc(-c2ccc(Cl)cc2)n1 ZINC000040473938 172284926 /nfs/dbraw/zinc/28/49/26/172284926.db2.gz OOULFUNGQQYLAT-UHFFFAOYSA-N 0 0 208.652 2.013 50 0 BEAARN CCn1nnc(NCc2ccc(SC)cc2)n1 ZINC000032616997 172287698 /nfs/dbraw/zinc/28/76/98/172287698.db2.gz FKOVRXZKKLUDIF-UHFFFAOYSA-N 0 0 249.343 2.027 50 0 BEAARN CCn1nnnc1NCc1ccc(SC)cc1 ZINC000000360547 172291318 /nfs/dbraw/zinc/29/13/18/172291318.db2.gz GPVCKHKMCAEYAK-UHFFFAOYSA-N 0 0 249.343 2.027 50 0 BEAARN CN(C(=O)C1CCOCC1)C1CCCCC1 ZINC000058298537 172299598 /nfs/dbraw/zinc/29/95/98/172299598.db2.gz LGMBGZXFTIORLD-UHFFFAOYSA-N 0 0 225.332 2.204 50 0 BEAARN CN(C(=O)Cn1cccc1C=O)C1CCCCC1 ZINC000033508758 172316661 /nfs/dbraw/zinc/31/66/61/172316661.db2.gz RBYADKOPVUUCFV-UHFFFAOYSA-N 0 0 248.326 2.092 50 0 BEAARN CN(C(=O)OC(C)(C)C)C1CCC(O)CC1 ZINC000087493488 172324450 /nfs/dbraw/zinc/32/44/50/172324450.db2.gz UJHKURDWYJBHPD-UHFFFAOYSA-N 0 0 229.320 2.157 50 0 BEAARN CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](O)CC1 ZINC000103538914 172325653 /nfs/dbraw/zinc/32/56/53/172325653.db2.gz UJHKURDWYJBHPD-AOOOYVTPSA-N 0 0 229.320 2.157 50 0 BEAARN CN(C(=O)c1nnc(C(C)(C)C)s1)C1CC1 ZINC000281053532 172348224 /nfs/dbraw/zinc/34/82/24/172348224.db2.gz XUFALHAYVKUZTP-UHFFFAOYSA-N 0 0 239.344 2.070 50 0 BEAARN CN(C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000033562086 172353558 /nfs/dbraw/zinc/35/35/58/172353558.db2.gz CVKVSIGUIAIDTR-YVMONPNESA-N 0 0 209.676 2.441 50 0 BEAARN CN(C)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000041501418 172355043 /nfs/dbraw/zinc/35/50/43/172355043.db2.gz OFKDBIMNWSHCTQ-UHFFFAOYSA-N 0 0 223.703 2.460 50 0 BEAARN CN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000012929591 172361305 /nfs/dbraw/zinc/36/13/05/172361305.db2.gz JYTQPORASGNTNV-UHFFFAOYSA-N 0 0 216.284 2.189 50 0 BEAARN CN(C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000096410018 172374520 /nfs/dbraw/zinc/37/45/20/172374520.db2.gz ABRNQOUKNUZCPP-JTQLQIEISA-N 0 0 219.284 2.031 50 0 BEAARN CN(C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000035874709 172375300 /nfs/dbraw/zinc/37/53/00/172375300.db2.gz XWUPTDZIGIDMKP-UHFFFAOYSA-N 0 0 231.217 2.336 50 0 BEAARN CN(C)C(=O)Nc1nc2ccccc2s1 ZINC000001732092 172381822 /nfs/dbraw/zinc/38/18/22/172381822.db2.gz AMIJSEIHRANBNZ-UHFFFAOYSA-N 0 0 221.285 2.390 50 0 BEAARN CN(C)C(=O)c1cccc(CCCCCCO)c1 ZINC000091713243 172390600 /nfs/dbraw/zinc/39/06/00/172390600.db2.gz DQYHKVUKHNLJSJ-UHFFFAOYSA-N 0 0 249.354 2.484 50 0 BEAARN CN(C)C(=O)c1cccc(NC(=O)C2CCC2)c1 ZINC000022509905 172391131 /nfs/dbraw/zinc/39/11/31/172391131.db2.gz DMQBYWYIJZGSRN-UHFFFAOYSA-N 0 0 246.310 2.127 50 0 BEAARN CN(C)C(=S)c1ccc2ccccc2n1 ZINC000000302304 172393043 /nfs/dbraw/zinc/39/30/43/172393043.db2.gz CMOMPGSXPWUNKX-UHFFFAOYSA-N 0 0 216.309 2.472 50 0 BEAARN CN(C)C(=S)Nc1ccc(F)cc1F ZINC000000089317 172393210 /nfs/dbraw/zinc/39/32/10/172393210.db2.gz PSWHKZXMZXDARK-UHFFFAOYSA-N 0 0 216.256 2.223 50 0 BEAARN CN(C)c1ccc(C(=O)NCC2CC2)cc1F ZINC000049423308 172549588 /nfs/dbraw/zinc/54/95/88/172549588.db2.gz OARUYICIPIGECH-UHFFFAOYSA-N 0 0 236.290 2.032 50 0 BEAARN CN(C)c1ncnc2c3ccccc3[nH]c21 ZINC000000117468 172587157 /nfs/dbraw/zinc/58/71/57/172587157.db2.gz VVTWPRMARBMYHE-UHFFFAOYSA-N 0 0 212.256 2.177 50 0 BEAARN Cn1c2ccccc2c2c1CCN(C)C2 ZINC000000036609 173171057 /nfs/dbraw/zinc/17/10/57/173171057.db2.gz JHIOFDRUJGJPFN-UHFFFAOYSA-N 0 0 200.285 2.166 50 0 biogenic BEAARN CNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000058244923 173222302 /nfs/dbraw/zinc/22/23/02/173222302.db2.gz OMRUAAUIXDGNFK-UHFFFAOYSA-N 0 0 209.676 2.118 50 0 BEAARN CNC(=O)CCc1ccc(Br)cc1 ZINC000089386080 173263284 /nfs/dbraw/zinc/26/32/84/173263284.db2.gz VAHOEWQXEISQPI-UHFFFAOYSA-N 0 0 242.116 2.128 50 0 BEAARN CNC(=O)CSc1ccc(C)cc1C ZINC000012981279 173279941 /nfs/dbraw/zinc/27/99/41/173279941.db2.gz YXFBQRUWQOKUMB-UHFFFAOYSA-N 0 0 209.314 2.142 50 0 BEAARN CNC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000045163677 173283778 /nfs/dbraw/zinc/28/37/78/173283778.db2.gz WPNKJRTVFHRPAW-UHFFFAOYSA-N 0 0 229.279 2.210 50 0 BEAARN CNC(=O)Cc1coc2c1ccc(C)c2C ZINC000009376623 173283793 /nfs/dbraw/zinc/28/37/93/173283793.db2.gz PHMMGWJIZPEVTB-UHFFFAOYSA-N 0 0 217.268 2.338 50 0 BEAARN CNC(=O)N[C@H]1CCCCc2sccc21 ZINC000004005716 173292398 /nfs/dbraw/zinc/29/23/98/173292398.db2.gz TWPOAFLPJUPQNQ-VIFPVBQESA-N 0 0 224.329 2.445 50 0 BEAARN CNC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000000400427 173292564 /nfs/dbraw/zinc/29/25/64/173292564.db2.gz XEWSELVNIRYIPT-UHFFFAOYSA-N 0 0 244.678 2.109 50 0 BEAARN CNC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000000401986 173292712 /nfs/dbraw/zinc/29/27/12/173292712.db2.gz BNIQIASZPYJMQB-UHFFFAOYSA-N 0 0 244.678 2.109 50 0 BEAARN CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014399170 173295937 /nfs/dbraw/zinc/29/59/37/173295937.db2.gz IMTHQXMEGBOSTP-SECBINFHSA-N 0 0 241.718 2.470 50 0 BEAARN CNC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000012909821 173304309 /nfs/dbraw/zinc/30/43/09/173304309.db2.gz AWIDIFRURSAVSO-VIFPVBQESA-N 0 0 209.314 2.222 50 0 BEAARN CNC(=O)c1c(C)onc1-c1ccccc1 ZINC000000391478 173309056 /nfs/dbraw/zinc/30/90/56/173309056.db2.gz DCKOQOHEZADEJX-UHFFFAOYSA-N 0 0 216.240 2.010 50 0 BEAARN CNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000048693598 173309295 /nfs/dbraw/zinc/30/92/95/173309295.db2.gz ULDXKYDBIHHNLI-UHFFFAOYSA-N 0 0 226.638 2.320 50 0 BEAARN CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000032675636 173309491 /nfs/dbraw/zinc/30/94/91/173309491.db2.gz HGOWUZROMKALHX-UHFFFAOYSA-N 0 0 241.294 2.109 50 0 BEAARN CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000098013867 173310158 /nfs/dbraw/zinc/31/01/58/173310158.db2.gz XFXXUHLCIQAJQA-UHFFFAOYSA-N 0 0 203.241 2.409 50 0 BEAARN CNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000005424347 173310204 /nfs/dbraw/zinc/31/02/04/173310204.db2.gz FCGZKRILOPYVHU-ZETCQYMHSA-N 0 0 209.314 2.233 50 0 BEAARN CNC(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000013009590 173310917 /nfs/dbraw/zinc/31/09/17/173310917.db2.gz QZKCPKXWSJHIMU-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN CNC(=O)c1csc2c1CCCCC2 ZINC000064551590 173313786 /nfs/dbraw/zinc/31/37/86/173313786.db2.gz JPEBJHXJSFTUTB-UHFFFAOYSA-N 0 0 209.314 2.377 50 0 BEAARN CNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000004090437 173313903 /nfs/dbraw/zinc/31/39/03/173313903.db2.gz YCPAGPICVBZPSO-UHFFFAOYSA-N 0 0 232.308 2.478 50 0 BEAARN CNC(=O)c1sc(-c2ccccc2)nc1C ZINC000001397227 173314443 /nfs/dbraw/zinc/31/44/43/173314443.db2.gz ZWWHKYZKRISHHE-UHFFFAOYSA-N 0 0 232.308 2.478 50 0 BEAARN C[NH2+]C1(C(=O)[O-])CCC(c2ccccc2)CC1 ZINC000037180417 173320968 /nfs/dbraw/zinc/32/09/68/173320968.db2.gz OKVMRBSCEJJLIA-UHFFFAOYSA-N 0 0 233.311 2.387 50 0 biogenic BEAARN CNc1cccc(-c2ccc3nnc(C)n3n2)c1 ZINC000002565106 173481135 /nfs/dbraw/zinc/48/11/35/173481135.db2.gz TZRQKMIWDSAQMS-UHFFFAOYSA-N 0 0 239.282 2.141 50 0 BEAARN COC(=O)C1(Br)CCCCC1 ZINC000000155319 173508391 /nfs/dbraw/zinc/50/83/91/173508391.db2.gz RNWRVPVPLQMTAP-UHFFFAOYSA-N 0 0 221.094 2.257 50 0 BEAARN COC(=O)CCC(=O)Nc1ccc(C)cc1F ZINC000040050979 173526514 /nfs/dbraw/zinc/52/65/14/173526514.db2.gz BTZSBRPXFYGHBU-UHFFFAOYSA-N 0 0 239.246 2.026 50 0 BEAARN COC(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000096491942 173604266 /nfs/dbraw/zinc/60/42/66/173604266.db2.gz CIANRWRSWQMJSD-UHFFFAOYSA-N 0 0 241.718 2.338 50 0 BEAARN COC(=O)[C@@H](C)CSCc1nc(C)c(C)o1 ZINC000078827439 173676973 /nfs/dbraw/zinc/67/69/73/173676973.db2.gz ORRDOWPMCMCQHE-ZETCQYMHSA-N 0 0 243.328 2.334 50 0 BEAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1 ZINC000000399469 173792838 /nfs/dbraw/zinc/79/28/38/173792838.db2.gz BWMCGUZUOFOKJF-LBPRGKRZSA-N 0 0 249.310 2.004 50 0 BEAARN COC(=O)c1c2cc[nH]c2ncc1Cl ZINC000014401138 173843231 /nfs/dbraw/zinc/84/32/31/173843231.db2.gz FTEPMPLHLRLOQI-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC(=O)c1c[nH]c(=S)n1Cc1ccccc1 ZINC000005115618 173846391 /nfs/dbraw/zinc/84/63/91/173846391.db2.gz FWTOEPHWNFXPPZ-UHFFFAOYSA-N 0 0 248.307 2.381 50 0 BEAARN COC(=O)c1cc(C(=O)c2ccccc2)c[nH]1 ZINC000000169384 173850666 /nfs/dbraw/zinc/85/06/66/173850666.db2.gz BIDNYJAGIABSOW-UHFFFAOYSA-N 0 0 229.235 2.032 50 0 BEAARN COC(=O)c1cc(F)c(Cl)cc1F ZINC000047202267 173857735 /nfs/dbraw/zinc/85/77/35/173857735.db2.gz JFBCLLOUVKHZDW-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN COC(=O)c1cc(F)c(Cl)nc1Cl ZINC000000163631 173857852 /nfs/dbraw/zinc/85/78/52/173857852.db2.gz WADLLLSMEPLCNO-UHFFFAOYSA-N 0 0 224.018 2.314 50 0 BEAARN COC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000048671137 173858802 /nfs/dbraw/zinc/85/88/02/173858802.db2.gz VAEQHZXRVKQYBW-UHFFFAOYSA-N 0 0 220.055 2.362 50 0 BEAARN COC(=O)c1ccc2[nH]c(C3CC3)nc2c1 ZINC000067935288 173888243 /nfs/dbraw/zinc/88/82/43/173888243.db2.gz YGKTXQHFHQNJJB-UHFFFAOYSA-N 0 0 216.240 2.227 50 0 BEAARN COC(=O)c1ccc2c(Cl)ncnc2c1 ZINC000035269833 173888789 /nfs/dbraw/zinc/88/87/89/173888789.db2.gz BYHDRGRVVXBJIP-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN COC(=O)c1cccc2c(/C=C\[N+](=O)[O-])c[nH]c21 ZINC000034759426 173896751 /nfs/dbraw/zinc/89/67/51/173896751.db2.gz ZIWUVIOQXRVBSU-WAYWQWQTSA-N 0 0 246.222 2.202 50 0 BEAARN COC(=O)c1ccccc1-n1cccc1C=O ZINC000004237681 173898427 /nfs/dbraw/zinc/89/84/27/173898427.db2.gz HLFGLBYUUAFGCU-UHFFFAOYSA-N 0 0 229.235 2.076 50 0 BEAARN COC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1C ZINC000013327632 173899662 /nfs/dbraw/zinc/89/96/62/173899662.db2.gz XAMFAFZUMWPGLC-SCZZXKLOSA-N 0 0 233.267 2.068 50 0 BEAARN COC(=O)c1ccnc(Cl)c1Cl ZINC000040566583 173902971 /nfs/dbraw/zinc/90/29/71/173902971.db2.gz PFAVUXBECIRJIY-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN COC(=O)c1ccsc1Br ZINC000066349392 173904044 /nfs/dbraw/zinc/90/40/44/173904044.db2.gz ADKGOXMEPLSPNN-UHFFFAOYSA-N 0 0 221.075 2.297 50 0 BEAARN COC(=O)C1=NC(c2ccccc2)OC1=S ZINC000000477951 173915422 /nfs/dbraw/zinc/91/54/22/173915422.db2.gz VFPURCAOOLUERH-UHFFFAOYSA-N 0 0 235.264 2.417 50 0 BEAARN COC(=O)c1ncccc1-c1ccc(CO)cc1 ZINC000097757343 173916834 /nfs/dbraw/zinc/91/68/34/173916834.db2.gz VZCBTKPHDMCVFI-UHFFFAOYSA-N 0 0 243.262 2.028 50 0 BEAARN COC(C)(C)C(=O)Nc1ccc(C)cc1F ZINC000223993011 173929234 /nfs/dbraw/zinc/92/92/34/173929234.db2.gz FFMXRTSHWDDJAK-UHFFFAOYSA-N 0 0 225.263 2.498 50 0 BEAARN COC1(c2noc(-c3ccco3)n2)CCC1 ZINC000225600384 174011755 /nfs/dbraw/zinc/01/17/55/174011755.db2.gz CMENEDGHHXAAQB-UHFFFAOYSA-N 0 0 220.228 2.355 50 0 BEAARN COCC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000040459662 174055587 /nfs/dbraw/zinc/05/55/87/174055587.db2.gz KQZMQUVUBYOEFA-MRVPVSSYSA-N 0 0 227.691 2.164 50 0 BEAARN COCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000363471 174058208 /nfs/dbraw/zinc/05/82/08/174058208.db2.gz UTYPTAMKBGXNAV-UHFFFAOYSA-N 0 0 213.664 2.233 50 0 BEAARN COCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000458119 174060135 /nfs/dbraw/zinc/06/01/35/174060135.db2.gz CPIGQPYXGRPSSW-UHFFFAOYSA-N 0 0 233.189 2.290 50 0 BEAARN COCC(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000330497923 174061760 /nfs/dbraw/zinc/06/17/60/174061760.db2.gz ZFOSWAMGJFPWHD-JTQLQIEISA-N 0 0 239.319 2.075 50 0 BEAARN COCCC1(c2nc(C3CC3)no2)CCC1 ZINC000089410136 174159655 /nfs/dbraw/zinc/15/96/55/174159655.db2.gz WJEPOOXPTKHMJD-UHFFFAOYSA-N 0 0 222.288 2.405 50 0 BEAARN COCCCCCn1ncc2ccccc2c1=O ZINC000072302009 174187688 /nfs/dbraw/zinc/18/76/88/174187688.db2.gz IUWPNKZZLIGRJQ-UHFFFAOYSA-N 0 0 246.310 2.213 50 0 BEAARN COCCCNC(=O)c1cc(C)cc(C)c1 ZINC000033023967 174245196 /nfs/dbraw/zinc/24/51/96/174245196.db2.gz FKBSPIXHHJGNOM-UHFFFAOYSA-N 0 0 221.300 2.070 50 0 BEAARN COCCCNC(=S)Nc1ccc(F)cc1 ZINC000002160713 174246279 /nfs/dbraw/zinc/24/62/79/174246279.db2.gz AQJMBARXEGLOKP-UHFFFAOYSA-N 0 0 242.319 2.149 50 0 BEAARN COCCCNc1nc(-c2ccccc2)no1 ZINC000033265818 174252078 /nfs/dbraw/zinc/25/20/78/174252078.db2.gz YEUZOSRWNWJBLX-UHFFFAOYSA-N 0 0 233.271 2.185 50 0 BEAARN COCCCOC(=O)c1cccc2cc[nH]c21 ZINC000076090151 174253008 /nfs/dbraw/zinc/25/30/08/174253008.db2.gz AMSPPGFWTLRVDP-UHFFFAOYSA-N 0 0 233.267 2.361 50 0 BEAARN COCCN(Cc1cc(C)on1)CC(C)C ZINC000065575443 174298867 /nfs/dbraw/zinc/29/88/67/174298867.db2.gz BNYLDZRNDGSACS-UHFFFAOYSA-N 0 0 226.320 2.087 50 0 BEAARN COCCN(Cc1ccco1)C(=O)C1CCC1 ZINC000045417056 174300519 /nfs/dbraw/zinc/30/05/19/174300519.db2.gz BKOZLCMJZLAPOP-UHFFFAOYSA-N 0 0 237.299 2.055 50 0 BEAARN COCCNC(=O)Nc1c(C)cccc1C ZINC000002167361 174324862 /nfs/dbraw/zinc/32/48/62/174324862.db2.gz LWYOHCXJBAOGAK-UHFFFAOYSA-N 0 0 222.288 2.071 50 0 BEAARN COCCNC(=O)Nc1ccccc1Cl ZINC000002161685 174325585 /nfs/dbraw/zinc/32/55/85/174325585.db2.gz IGNNWQDPDVHKCE-UHFFFAOYSA-N 0 0 228.679 2.108 50 0 BEAARN COCCNC(=O)c1cc2ccccc2s1 ZINC000017321507 174327999 /nfs/dbraw/zinc/32/79/99/174327999.db2.gz PRPCBRFFVWSFHI-UHFFFAOYSA-N 0 0 235.308 2.278 50 0 BEAARN COCCOc1ccc(Br)cc1N ZINC000014630911 174367428 /nfs/dbraw/zinc/36/74/28/174367428.db2.gz SCUYDHBRDTZHFB-UHFFFAOYSA-N 0 0 246.104 2.057 50 0 BEAARN COCCOc1nc2ccccc2s1 ZINC000002493834 174370951 /nfs/dbraw/zinc/37/09/51/174370951.db2.gz WLAREINQKXYEOY-UHFFFAOYSA-N 0 0 209.270 2.322 50 0 BEAARN COCCSc1n[nH]c(-c2cccs2)n1 ZINC000071858773 174377115 /nfs/dbraw/zinc/37/71/15/174377115.db2.gz QEUNYLZJEOVYGW-UHFFFAOYSA-N 0 0 241.341 2.272 50 0 BEAARN COCC[C@@H](C)Nc1cccc(-c2nc[nH]n2)c1 ZINC000095991625 174386067 /nfs/dbraw/zinc/38/60/67/174386067.db2.gz SMROHHNZPAHZMV-SNVBAGLBSA-N 0 0 246.314 2.309 50 0 BEAARN COCOc1ccc(C(=O)c2ccccn2)cc1 ZINC000019087637 174432023 /nfs/dbraw/zinc/43/20/23/174432023.db2.gz JYSUVVIQPSJOLQ-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN COC[C@@H](C)NC(=O)CCC1CCCCC1 ZINC000002734742 174451327 /nfs/dbraw/zinc/45/13/27/174451327.db2.gz TYPMICUIGHZVGN-LLVKDONJSA-N 0 0 227.348 2.498 50 0 BEAARN COC[C@H](C)NC(=O)N(CC(C)C)CC(C)C ZINC000084511023 174542868 /nfs/dbraw/zinc/54/28/68/174542868.db2.gz WGMQDJMDXLVTQT-LBPRGKRZSA-N 0 0 244.379 2.345 50 0 BEAARN COC[C@H](C)SCc1cc(OC)ccn1 ZINC000095944913 174555586 /nfs/dbraw/zinc/55/55/86/174555586.db2.gz NNFPHWUKGRIAAM-VIFPVBQESA-N 0 0 227.329 2.358 50 0 BEAARN COCc1c(C(N)=O)sc2cccc(F)c21 ZINC000032820417 174617459 /nfs/dbraw/zinc/61/74/59/174617459.db2.gz MALHFFYMFHZWEI-UHFFFAOYSA-N 0 0 239.271 2.286 50 0 BEAARN COCc1ccccc1CNC(=O)C(C)(C)C ZINC000040071001 174634551 /nfs/dbraw/zinc/63/45/51/174634551.db2.gz KNBMJLNNWHWKOQ-UHFFFAOYSA-N 0 0 235.327 2.495 50 0 BEAARN CONC(=O)c1ccc(-c2ccccc2)nc1C ZINC000095946661 174668289 /nfs/dbraw/zinc/66/82/89/174668289.db2.gz RUSGMBWSKBZKQH-UHFFFAOYSA-N 0 0 242.278 2.348 50 0 BEAARN COP(=O)(OC)[C@@H]1OC(=O)c2ccccc21 ZINC000038272692 174670127 /nfs/dbraw/zinc/67/01/27/174670127.db2.gz KEKUNQAVGWOYDW-JTQLQIEISA-N 0 0 242.167 2.342 50 0 BEAARN COc1c2ccccc2oc1C(=O)NC1CC1 ZINC000252500039 174918759 /nfs/dbraw/zinc/91/87/59/174918759.db2.gz SMGGQEZQZCDZQJ-UHFFFAOYSA-N 0 0 231.251 2.334 50 0 BEAARN COc1cc(C(F)(F)F)nc(SC)n1 ZINC000001390161 174952868 /nfs/dbraw/zinc/95/28/68/174952868.db2.gz ZGHVHUYAPUOSMA-UHFFFAOYSA-N 0 0 224.207 2.226 50 0 BEAARN COc1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC000082609418 174982474 /nfs/dbraw/zinc/98/24/74/174982474.db2.gz QDOOVCGRSZYELC-UHFFFAOYSA-N 0 0 238.287 2.115 50 0 BEAARN COc1cc2cccnc2c(NC(C)=O)c1 ZINC000000396589 175000780 /nfs/dbraw/zinc/00/07/80/175000780.db2.gz IPXGUHRVSUTXKJ-UHFFFAOYSA-N 0 0 216.240 2.202 50 0 BEAARN COc1cc(NC(=O)[C@@H]2C[C@H]2C)cc(OC)c1 ZINC000006385971 175001103 /nfs/dbraw/zinc/00/11/03/175001103.db2.gz YQRKNUWRPNIAAQ-PRHODGIISA-N 0 0 235.283 2.298 50 0 BEAARN COc1cc(NC(N)=S)c(OC)cc1Cl ZINC000013658996 175001966 /nfs/dbraw/zinc/00/19/66/175001966.db2.gz ISYJPUXGDXZTPR-UHFFFAOYSA-N 0 0 246.719 2.013 50 0 BEAARN COc1cc(O)cc(Br)c1 ZINC000045672783 175005378 /nfs/dbraw/zinc/00/53/78/175005378.db2.gz QFOYNYXCBBRSCY-UHFFFAOYSA-N 0 0 203.035 2.163 50 0 BEAARN COc1cc(OC(F)F)ccc1C=O ZINC000263623823 175006165 /nfs/dbraw/zinc/00/61/65/175006165.db2.gz LATIMUMMWVTXGU-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN COc1cc(OC(F)(F)F)ccc1CO ZINC000002528352 175006343 /nfs/dbraw/zinc/00/63/43/175006343.db2.gz DKVZUQJDAINLSM-UHFFFAOYSA-N 0 0 222.162 2.086 50 0 BEAARN COc1cc(OC)c(C=O)cc1Br ZINC000000028461 175007043 /nfs/dbraw/zinc/00/70/43/175007043.db2.gz PXDIELLGFUEAIX-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN COc1cc(OC)c(NC(C)=O)cc1Cl ZINC000000295653 175007047 /nfs/dbraw/zinc/00/70/47/175007047.db2.gz BNHPGZHAXVLMKZ-UHFFFAOYSA-N 0 0 229.663 2.316 50 0 BEAARN COc1cc(OC)c(C(F)(F)F)cc1N ZINC000000159289 175007083 /nfs/dbraw/zinc/00/70/83/175007083.db2.gz RCOAFFRLRHZLJG-UHFFFAOYSA-N 0 0 221.178 2.305 50 0 BEAARN COc1cc(OC)c2c3c(c(=O)oc2c1)CCC3 ZINC000000146873 175009370 /nfs/dbraw/zinc/00/93/70/175009370.db2.gz DGLJLGBVHRQILR-UHFFFAOYSA-N 0 0 246.262 2.299 50 0 biogenic BEAARN COc1cc(OC)cc(C(=O)N2CCCCC2)c1 ZINC000003093892 175010623 /nfs/dbraw/zinc/01/06/23/175010623.db2.gz LEMXDLQLWUZGTQ-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN COc1cc(O[C@@H]2CCCCO2)ccc1C=O ZINC000001420648 175013504 /nfs/dbraw/zinc/01/35/04/175013504.db2.gz XDLKXYRFRQWAJD-CYBMUJFWSA-N 0 0 236.267 2.413 50 0 BEAARN COc1cc2c(cc1OC)[C@@H](C)N(C(C)=O)CC2 ZINC000000247690 175025703 /nfs/dbraw/zinc/02/57/03/175025703.db2.gz GGONZGHKXHEOPW-SECBINFHSA-N 0 0 249.310 2.169 50 0 BEAARN COc1cc2cc(C=O)c(=O)[nH]c2cc1Cl ZINC000041125612 175026863 /nfs/dbraw/zinc/02/68/63/175026863.db2.gz SRIHCIPZDMSMFD-UHFFFAOYSA-N 0 0 237.642 2.003 50 0 BEAARN COc1cc2nc(C3CC3)oc(=O)c2cc1OC ZINC000009452145 175028148 /nfs/dbraw/zinc/02/81/48/175028148.db2.gz ZESVZUURJRIJHX-UHFFFAOYSA-N 0 0 247.250 2.083 50 0 BEAARN COc1ccc(-c2c(C)n[nH]c2C)cn1 ZINC000067446761 175029723 /nfs/dbraw/zinc/02/97/23/175029723.db2.gz AYAVXBPVGHNFPD-UHFFFAOYSA-N 0 0 203.245 2.097 50 0 BEAARN COc1ccc(-c2cnc(N)cn2)cc1C ZINC000067690405 175037330 /nfs/dbraw/zinc/03/73/30/175037330.db2.gz XJZRWLPHMFCCIV-UHFFFAOYSA-N 0 0 215.256 2.043 50 0 BEAARN COc1ccc(-c2n[nH]cc2-c2ncc[nH]2)cc1 ZINC000067840410 175037487 /nfs/dbraw/zinc/03/74/87/175037487.db2.gz AXUAABWSWXGKIP-UHFFFAOYSA-N 0 0 240.266 2.475 50 0 BEAARN COc1ccc(-c2nc(CO)cs2)cc1 ZINC000008734297 175039461 /nfs/dbraw/zinc/03/94/61/175039461.db2.gz VFSRWAISOVFLJP-UHFFFAOYSA-N 0 0 221.281 2.311 50 0 BEAARN COc1ccc(-n2cccc2C=O)cc1OC ZINC000001399776 175044274 /nfs/dbraw/zinc/04/42/74/175044274.db2.gz JXVVAVDZWWLWIC-UHFFFAOYSA-N 0 0 231.251 2.307 50 0 BEAARN COc1ccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000071589729 175057599 /nfs/dbraw/zinc/05/75/99/175057599.db2.gz ZUMIUJWNXCEJBJ-PHIMTYICSA-N 0 0 247.294 2.326 50 0 BEAARN COc1ccc(C(=O)NC(C)(C)C)cc1F ZINC000070243128 175058340 /nfs/dbraw/zinc/05/83/40/175058340.db2.gz VUWOALHFBKFALZ-UHFFFAOYSA-N 0 0 225.263 2.363 50 0 BEAARN COc1ccc(C(=O)NCc2cccs2)cn1 ZINC000027627253 175060828 /nfs/dbraw/zinc/06/08/28/175060828.db2.gz HOQFUHZPEGHJDI-UHFFFAOYSA-N 0 0 248.307 2.082 50 0 BEAARN COc1ccc(C(=O)NCc2ccco2)cc1F ZINC000007124135 175061272 /nfs/dbraw/zinc/06/12/72/175061272.db2.gz KUBBKUUTVSZJGC-UHFFFAOYSA-N 0 0 249.241 2.357 50 0 BEAARN COc1ccc(C(=O)Nc2ccccn2)cc1F ZINC000009322062 175063869 /nfs/dbraw/zinc/06/38/69/175063869.db2.gz GHBFLCKNUMZISC-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(C(=O)Nc2nc(C)ns2)cc1 ZINC000028232095 175064868 /nfs/dbraw/zinc/06/48/68/175064868.db2.gz ADDAICJKEPCZRN-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccc(C(=O)n2nc(C)cc2C)cc1 ZINC000000493454 175066694 /nfs/dbraw/zinc/06/66/94/175066694.db2.gz GBKXJGMLDPJSEI-UHFFFAOYSA-N 0 0 230.267 2.197 50 0 BEAARN COc1ccc(C2(C(N)=O)CCCC2)cc1OC ZINC000000050931 175083257 /nfs/dbraw/zinc/08/32/57/175083257.db2.gz UZDIYVHPKMAXOA-UHFFFAOYSA-N 0 0 249.310 2.001 50 0 BEAARN COc1ccc(C2=CSC3=NCCN23)cc1 ZINC000000048958 175085127 /nfs/dbraw/zinc/08/51/27/175085127.db2.gz GFKOZTFNBVVIBX-UHFFFAOYSA-N 0 0 232.308 2.412 50 0 BEAARN COc1ccc(C=O)cc1OC(F)F ZINC000003887828 175086271 /nfs/dbraw/zinc/08/62/71/175086271.db2.gz ZIOBKYXYQVFUJT-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN COc1ccc(CCSc2nc[nH]n2)cc1 ZINC000040456855 175092519 /nfs/dbraw/zinc/09/25/19/175092519.db2.gz HCCKLUIHOYYFGS-UHFFFAOYSA-N 0 0 235.312 2.148 50 0 BEAARN COc1ccc(CCNc2ccc(N)cn2)cc1 ZINC000019961579 175092528 /nfs/dbraw/zinc/09/25/28/175092528.db2.gz SZKNXOLFZWLYKY-UHFFFAOYSA-N 0 0 243.310 2.327 50 0 BEAARN COc1ccc(CNC(=O)C2CCC2)cc1OC ZINC000006285246 175104286 /nfs/dbraw/zinc/10/42/86/175104286.db2.gz YZAPNKGYZQEQBP-UHFFFAOYSA-N 0 0 249.310 2.120 50 0 BEAARN COc1ccc(CNC(=O)C[C@H]2C=CCC2)cn1 ZINC000032871409 175104345 /nfs/dbraw/zinc/10/43/45/175104345.db2.gz XNROKVSRZGZZOL-NSHDSACASA-N 0 0 246.310 2.063 50 0 BEAARN COc1ccc(COC(=O)c2ccc(C)o2)cn1 ZINC000095962606 175113514 /nfs/dbraw/zinc/11/35/14/175113514.db2.gz ALIQRBQROATJNZ-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN COc1ccc(Cl)cc1C(=O)NC(C)C ZINC000000030533 175119498 /nfs/dbraw/zinc/11/94/98/175119498.db2.gz XNRMIULTBWTSOE-UHFFFAOYSA-N 0 0 227.691 2.487 50 0 BEAARN COc1ccc(Cl)cc1CN(C)C(C)=O ZINC000065591343 175120440 /nfs/dbraw/zinc/12/04/40/175120440.db2.gz DGMOGGZOEKMKIM-UHFFFAOYSA-N 0 0 227.691 2.327 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1OC ZINC000012971309 175145784 /nfs/dbraw/zinc/14/57/84/175145784.db2.gz CDEZZXYETAIBRE-PSASIEDQSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000005559998 175147744 /nfs/dbraw/zinc/14/77/44/175147744.db2.gz VVBRWFBHPKUVOI-KWQFWETISA-N 0 0 205.257 2.290 50 0 BEAARN COc1ccc(NC(C)=O)cc1NC(C)C ZINC000035036452 175148207 /nfs/dbraw/zinc/14/82/07/175148207.db2.gz KKDVPQVKRIXVMR-UHFFFAOYSA-N 0 0 222.288 2.474 50 0 BEAARN COc1ccc(NC2=NNC=CS2)cc1 ZINC000027546392 175149832 /nfs/dbraw/zinc/14/98/32/175149832.db2.gz HCLHEKPPCRUVIJ-UHFFFAOYSA-N 0 0 221.285 2.186 50 0 BEAARN COc1ccc(OC(=O)c2cccnc2)cc1 ZINC000000240594 175162943 /nfs/dbraw/zinc/16/29/43/175162943.db2.gz YKRYFWGYMGFVCO-UHFFFAOYSA-N 0 0 229.235 2.309 50 0 biogenic BEAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000009908498 175166780 /nfs/dbraw/zinc/16/67/80/175166780.db2.gz CSXKFQVJPQVANQ-SCZZXKLOSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(Oc2cc[n+]([O-])cc2)cc1 ZINC000044124629 175173457 /nfs/dbraw/zinc/17/34/57/175173457.db2.gz MRXULYUDIASTNF-UHFFFAOYSA-N 0 0 217.224 2.121 50 0 BEAARN COc1ccc(SC[C@@H]2COCCO2)cc1 ZINC000352152370 175175248 /nfs/dbraw/zinc/17/52/48/175175248.db2.gz CVZJMKMYCALOKT-NSHDSACASA-N 0 0 240.324 2.203 50 0 BEAARN COc1ccc([C@@H](N)C(F)(F)F)cc1 ZINC000019481839 175179338 /nfs/dbraw/zinc/17/93/38/175179338.db2.gz WXWSEEIYIQOYNZ-MRVPVSSYSA-N 0 0 205.179 2.257 50 0 BEAARN COc1ccc([C@@H]2NCCCS2)cc1 ZINC000033876546 175185642 /nfs/dbraw/zinc/18/56/42/175185642.db2.gz UXELVAFQHHYRFQ-LLVKDONJSA-N 0 0 209.314 2.420 50 0 BEAARN COc1ccc([C@H]2NCCCS2)cc1 ZINC000033876548 175197837 /nfs/dbraw/zinc/19/78/37/175197837.db2.gz UXELVAFQHHYRFQ-NSHDSACASA-N 0 0 209.314 2.420 50 0 BEAARN COc1ccc([C@H]2SCC(=O)N2C2CC2)cc1 ZINC000019926907 175199190 /nfs/dbraw/zinc/19/91/90/175199190.db2.gz LFCBYPLPSCPFNK-CYBMUJFWSA-N 0 0 249.335 2.432 50 0 in-vitro BEAARN COc1ccc2[nH]nc(Br)c2c1 ZINC000014983634 175203074 /nfs/dbraw/zinc/20/30/74/175203074.db2.gz HYFXBJKOXIFDNQ-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1ccc2c3c1cccc3C(=O)N(C)C2=O ZINC000003996198 175223730 /nfs/dbraw/zinc/22/37/30/175223730.db2.gz CNUWYNDMLFVRBU-UHFFFAOYSA-N 0 0 241.246 2.074 50 0 BEAARN COc1ccc2ccc(O)c(C=O)c2c1 ZINC000038996836 175225406 /nfs/dbraw/zinc/22/54/06/175225406.db2.gz WQGADZACBGKOHW-UHFFFAOYSA-N 0 0 202.209 2.367 50 0 BEAARN COc1ccc2ccn(CCSC)c(=O)c2c1 ZINC000097378072 175227090 /nfs/dbraw/zinc/22/70/90/175227090.db2.gz DKNJYHDIFRSSCD-UHFFFAOYSA-N 0 0 249.335 2.373 50 0 BEAARN COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000012902786 175229608 /nfs/dbraw/zinc/22/96/08/175229608.db2.gz NVDVFLBEVFYGCA-UHFFFAOYSA-N 0 0 244.294 2.132 50 0 biogenic BEAARN COc1cccc(-c2cc(C=O)on2)c1 ZINC000057491462 175233070 /nfs/dbraw/zinc/23/30/70/175233070.db2.gz VQESCRHKDYWZSF-UHFFFAOYSA-N 0 0 203.197 2.163 50 0 BEAARN COc1cccc(-c2nc3c(c(N)n2)CCC3)c1 ZINC000050844633 175236690 /nfs/dbraw/zinc/23/66/90/175236690.db2.gz WSGXYUFMZRJIKR-UHFFFAOYSA-N 0 0 241.294 2.223 50 0 BEAARN COc1cccc(C(=O)Nc2ccccn2)c1 ZINC000000264118 175246124 /nfs/dbraw/zinc/24/61/24/175246124.db2.gz DDKCQZOPRAHVGK-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1cccc(C(=O)c2cccc(F)c2)n1 ZINC000045028723 175246888 /nfs/dbraw/zinc/24/68/88/175246888.db2.gz NNMZZMSUAMLBCN-UHFFFAOYSA-N 0 0 231.226 2.460 50 0 BEAARN COc1cccc(C(=O)n2cc(Cl)cn2)c1 ZINC000002763684 175247260 /nfs/dbraw/zinc/24/72/60/175247260.db2.gz MAKSPRXAUAVGSL-UHFFFAOYSA-N 0 0 236.658 2.234 50 0 BEAARN COc1cccc(CCNC(=O)c2ccoc2)c1 ZINC000048299780 175252756 /nfs/dbraw/zinc/25/27/56/175252756.db2.gz VQBQSAGOVUTYLG-UHFFFAOYSA-N 0 0 245.278 2.261 50 0 BEAARN COc1cccc(CNC(=O)C=C(C)C)c1 ZINC000023154182 175261186 /nfs/dbraw/zinc/26/11/86/175261186.db2.gz KUBZSETVFRPCTE-UHFFFAOYSA-N 0 0 219.284 2.278 50 0 BEAARN COc1cccc(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000225177159 175261405 /nfs/dbraw/zinc/26/14/05/175261405.db2.gz YBWDEQGDJJMQRM-RYUDHWBXSA-N 0 0 235.327 2.304 50 0 BEAARN COc1cccc(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000045838927 175261643 /nfs/dbraw/zinc/26/16/43/175261643.db2.gz YBWDEQGDJJMQRM-NEPJUHHUSA-N 0 0 235.327 2.304 50 0 BEAARN COc1cccc(COc2cc(C)n(C)n2)c1 ZINC000096496133 175269641 /nfs/dbraw/zinc/26/96/41/175269641.db2.gz DLKKMQRASUNFAX-UHFFFAOYSA-N 0 0 232.283 2.316 50 0 BEAARN COc1cccc(NC(=O)CN2CCCCC2)c1 ZINC000004991043 175276885 /nfs/dbraw/zinc/27/68/85/175276885.db2.gz AMVPMAPIOLCPIE-UHFFFAOYSA-N 0 0 248.326 2.120 50 0 BEAARN COc1cccc(OC)c1C1=NC(C)(C)CO1 ZINC000000156362 175282000 /nfs/dbraw/zinc/28/20/00/175282000.db2.gz ROAVQVZZFABISD-UHFFFAOYSA-N 0 0 235.283 2.259 50 0 BEAARN COc1cccc([C@@H](C)n2nccc2N)c1 ZINC000004575255 175288140 /nfs/dbraw/zinc/28/81/40/175288140.db2.gz OPJUZOFAZBHXLO-SECBINFHSA-N 0 0 217.272 2.083 50 0 BEAARN COc1cccc([C@H](O)C(F)(F)F)c1 ZINC000000282001 175295191 /nfs/dbraw/zinc/29/51/91/175295191.db2.gz RQAXPSRNKBTNOB-QMMMGPOBSA-N 0 0 206.163 2.291 50 0 BEAARN COc1ccccc1-c1nnc(SC)n1C ZINC000001332761 175311535 /nfs/dbraw/zinc/31/15/35/175311535.db2.gz AMWIIDURDJQUGK-UHFFFAOYSA-N 0 0 235.312 2.213 50 0 BEAARN COc1ccccc1C(=O)Nc1nc(C)ns1 ZINC000027664586 175319152 /nfs/dbraw/zinc/31/91/52/175319152.db2.gz XVWWSDLIEYHNGP-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccccc1C(=O)Nn1c(C)ccc1C ZINC000000616164 175319160 /nfs/dbraw/zinc/31/91/60/175319160.db2.gz JZVIHJWHTMDUJH-UHFFFAOYSA-N 0 0 244.294 2.497 50 0 BEAARN COc1ccccc1C(=O)c1ccccn1 ZINC000032222757 175320056 /nfs/dbraw/zinc/32/00/56/175320056.db2.gz JKSBOLDIANUQNL-UHFFFAOYSA-N 0 0 213.236 2.321 50 0 BEAARN COc1ccccc1CCN(C)c1cnccn1 ZINC000301182915 175322078 /nfs/dbraw/zinc/32/20/78/175322078.db2.gz IJWXTMODYDCBJV-UHFFFAOYSA-N 0 0 243.310 2.164 50 0 BEAARN COc1ccccc1CCNC(=O)c1ccco1 ZINC000014603580 175323597 /nfs/dbraw/zinc/32/35/97/175323597.db2.gz XQRQGNUYJXOPBV-UHFFFAOYSA-N 0 0 245.278 2.261 50 0 BEAARN COc1ccccc1C[N@H+](CCC(=O)[O-])C1CC1 ZINC000037594259 175326174 /nfs/dbraw/zinc/32/61/74/175326174.db2.gz JMRTUMHTXLPGMA-UHFFFAOYSA-N 0 0 249.310 2.134 50 0 BEAARN COc1ccccc1CNC(=O)C(C)(C)C ZINC000003094203 175329064 /nfs/dbraw/zinc/32/90/64/175329064.db2.gz FZFHWOBLTIENJM-UHFFFAOYSA-N 0 0 221.300 2.358 50 0 BEAARN COc1ccccc1CNC(=O)c1cccnc1 ZINC000000029326 175329412 /nfs/dbraw/zinc/32/94/12/175329412.db2.gz ZUNAVUWRSKKHAQ-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 biogenic BEAARN COc1ccccc1CNc1cncnc1 ZINC000000360815 175331394 /nfs/dbraw/zinc/33/13/94/175331394.db2.gz UASXIULUTAWFGB-UHFFFAOYSA-N 0 0 215.256 2.097 50 0 BEAARN COc1ccccc1NC(=O)c1coc(C)n1 ZINC000022538195 175336698 /nfs/dbraw/zinc/33/66/98/175336698.db2.gz HHZLYVPCHKFVTF-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccccc1O[C@H](C)C(=O)N1CCCC1 ZINC000008498869 175342530 /nfs/dbraw/zinc/34/25/30/175342530.db2.gz AIDQVKNUEAOHJO-LLVKDONJSA-N 0 0 249.310 2.085 50 0 BEAARN COc1ccccc1[C@H](N)C(F)(F)F ZINC000045206690 175353620 /nfs/dbraw/zinc/35/36/20/175353620.db2.gz LMXVBSFRTBFWFN-QMMMGPOBSA-N 0 0 205.179 2.257 50 0 BEAARN COc1cccn2c(Br)cnc12 ZINC000089202212 175356343 /nfs/dbraw/zinc/35/63/43/175356343.db2.gz AKXXJZFDYQKQDC-UHFFFAOYSA-N 0 0 227.061 2.105 50 0 BEAARN COc1ccn2c(Br)cnc2c1 ZINC000072233383 175357102 /nfs/dbraw/zinc/35/71/02/175357102.db2.gz BGICXEKRCYOBOY-UHFFFAOYSA-N 0 0 227.061 2.105 50 0 BEAARN COc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC000001442762 175363456 /nfs/dbraw/zinc/36/34/56/175363456.db2.gz APPULKDYZGWMNP-UHFFFAOYSA-N 0 0 224.260 2.437 50 0 BEAARN COc1ccsc1C(=O)OCCSC ZINC000096443033 175377057 /nfs/dbraw/zinc/37/70/57/175377057.db2.gz GKNGOWNLUNTGJU-UHFFFAOYSA-N 0 0 232.326 2.277 50 0 BEAARN COc1cncc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000065301643 175382941 /nfs/dbraw/zinc/38/29/41/175382941.db2.gz FTPYCIFLBLUCEE-PHIMTYICSA-N 0 0 248.326 2.208 50 0 BEAARN COc1nc(Cl)nc(Nc2ccccc2)n1 ZINC000000191380 175392598 /nfs/dbraw/zinc/39/25/98/175392598.db2.gz YZGUMMAITZYKOD-UHFFFAOYSA-N 0 0 236.662 2.277 50 0 BEAARN COc1nc2[nH]ccc2cc1Br ZINC000044713370 175396470 /nfs/dbraw/zinc/39/64/70/175396470.db2.gz KPBQDBZOMDGVLI-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1ncc(C)cc1NC(=O)N1CCCC1 ZINC000098016218 175397862 /nfs/dbraw/zinc/39/78/62/175397862.db2.gz DCQASIKOMYAZPJ-UHFFFAOYSA-N 0 0 235.287 2.026 50 0 BEAARN COc1ncccc1C(=O)Nc1ccccc1F ZINC000032755194 175405996 /nfs/dbraw/zinc/40/59/96/175405996.db2.gz DRKMMCJNVHBWEM-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN CS(=O)(=O)CCCSc1cccs1 ZINC000071909993 175422186 /nfs/dbraw/zinc/42/21/86/175422186.db2.gz XRKAHSXOHZFHTA-UHFFFAOYSA-N 0 0 236.383 2.275 50 0 BEAARN CS(=O)(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000098013688 175427619 /nfs/dbraw/zinc/42/76/19/175427619.db2.gz OJJCRFNACDVFMR-JTQLQIEISA-N 0 0 245.731 2.046 50 0 BEAARN CSCCC(=O)NCCc1cccs1 ZINC000040160167 175467292 /nfs/dbraw/zinc/46/72/92/175467292.db2.gz BYOOVUSJZWFYGP-UHFFFAOYSA-N 0 0 229.370 2.160 50 0 BEAARN CSCCOC(=O)c1cc(C(C)(C)C)[nH]n1 ZINC000096443035 175500060 /nfs/dbraw/zinc/50/00/60/175500060.db2.gz WCUFMJZDRCOVCB-UHFFFAOYSA-N 0 0 242.344 2.227 50 0 BEAARN CS[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000059352192 175545875 /nfs/dbraw/zinc/54/58/75/175545875.db2.gz JPOMTOWDSQOYHA-ZETCQYMHSA-N 0 0 220.297 2.347 50 0 BEAARN CSc1ccccc1NC(=O)c1cnccn1 ZINC000001054516 175583628 /nfs/dbraw/zinc/58/36/28/175583628.db2.gz LYLRKHIYOIIEEJ-UHFFFAOYSA-N 0 0 245.307 2.451 50 0 BEAARN C[C@@H](CCc1ccccc1)NC(=O)NC1CC1 ZINC000032843695 175686196 /nfs/dbraw/zinc/68/61/96/175686196.db2.gz PNYGPAAFGRVMNP-NSHDSACASA-N 0 0 232.327 2.469 50 0 BEAARN C[C@@H](CNC(=S)NC1CC1)c1ccccc1 ZINC000007621163 175730667 /nfs/dbraw/zinc/73/06/67/175730667.db2.gz SICAEYXBKBWVDK-JTQLQIEISA-N 0 0 234.368 2.417 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)NCc1ccco1 ZINC000065587881 175775035 /nfs/dbraw/zinc/77/50/35/175775035.db2.gz QRRFIKSVMPKUMJ-JTQLQIEISA-N 0 0 248.282 2.303 50 0 BEAARN C[C@@H](NC(=O)C1CCC1)c1ccncc1 ZINC000006125197 175827677 /nfs/dbraw/zinc/82/76/77/175827677.db2.gz UBPCJEZDERUZHK-SECBINFHSA-N 0 0 204.273 2.059 50 0 BEAARN C[C@@H](NC(=O)c1cnccn1)c1ccccc1F ZINC000012900496 175853074 /nfs/dbraw/zinc/85/30/74/175853074.db2.gz NTHNZHKQSKKVQV-SECBINFHSA-N 0 0 245.257 2.107 50 0 BEAARN C[C@@H](O)CN(C)c1nc2ccccc2s1 ZINC000049776509 175969439 /nfs/dbraw/zinc/96/94/39/175969439.db2.gz QJPBEAZYMPLOBM-MRVPVSSYSA-N 0 0 222.313 2.113 50 0 BEAARN C[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000002504412 175997781 /nfs/dbraw/zinc/99/77/81/175997781.db2.gz WYUNHWKTLDBPLE-UWTATZPHSA-N 0 0 212.117 2.435 50 0 BEAARN C[C@@H](O)c1nc2ccc(Cl)cc2n1C ZINC000040417037 176001132 /nfs/dbraw/zinc/00/11/32/176001132.db2.gz CSUQSNUYNQSETD-ZCFIWIBFSA-N 0 0 210.664 2.280 50 0 BEAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CC1 ZINC000005528757 176004790 /nfs/dbraw/zinc/00/47/90/176004790.db2.gz PZJKUTCCDWSEKP-MRVPVSSYSA-N 0 0 239.702 2.386 50 0 BEAARN C[C@@H](SCC(C)(C)C)C(=O)N(C)C ZINC000225640758 176007446 /nfs/dbraw/zinc/00/74/46/176007446.db2.gz DFNKJUQTBPCTTI-MRVPVSSYSA-N 0 0 203.351 2.242 50 0 BEAARN C[C@@H](S[C@H](C)c1ccc(F)cc1)C(N)=O ZINC000045090886 176009213 /nfs/dbraw/zinc/00/92/13/176009213.db2.gz YREWRJBWCBBYPF-HTQZYQBOSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@@H](Sc1ccc(F)c(Cl)c1)C(N)=O ZINC000014198409 176009352 /nfs/dbraw/zinc/00/93/52/176009352.db2.gz BSFURVHDOZURIP-RXMQYKEDSA-N 0 0 233.695 2.445 50 0 BEAARN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](O)C1 ZINC000114470037 176012902 /nfs/dbraw/zinc/01/29/02/176012902.db2.gz XYCIXVIUDNUJMK-WPRPVWTQSA-N 0 0 227.254 2.092 50 0 BEAARN C[C@@H](c1ccccc1)n1c(N)cc(=O)[nH]c1=S ZINC000022637702 176023530 /nfs/dbraw/zinc/02/35/30/176023530.db2.gz JJGAMWNEQHQICU-QMMMGPOBSA-N 0 0 247.323 2.097 50 0 BEAARN C[C@@H]1C(=O)CCN(C)[C@@H]1c1ccccc1 ZINC000054957086 176041571 /nfs/dbraw/zinc/04/15/71/176041571.db2.gz STSXXDYXEZFGJE-MFKMUULPSA-N 0 0 203.285 2.268 50 0 BEAARN C[C@@H]1C(=O)CCN(Cc2ccccc2)[C@H]1C ZINC000004342744 176041864 /nfs/dbraw/zinc/04/18/64/176041864.db2.gz PUVALBABJRFOQO-RYUDHWBXSA-N 0 0 217.312 2.486 50 0 BEAARN C[C@@H]1C(=O)CCCN1Cc1ccccc1 ZINC000068592824 176041919 /nfs/dbraw/zinc/04/19/19/176041919.db2.gz WYHHURGFXKJVKA-LLVKDONJSA-N 0 0 203.285 2.240 50 0 BEAARN C[C@@H]1CC(=O)C[C@H]2c3ccccc3OC(=O)[C@H]12 ZINC000004671052 176048102 /nfs/dbraw/zinc/04/81/02/176048102.db2.gz ANOJDUHFBKNOAI-YDEJPDAXSA-N 0 0 230.263 2.304 50 0 BEAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C=O)[nH]1 ZINC000170653479 176077955 /nfs/dbraw/zinc/07/79/55/176077955.db2.gz KERVMWIDMSTHDI-MFKMUULPSA-N 0 0 248.326 2.478 50 0 BEAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnccn1 ZINC000032787735 176077963 /nfs/dbraw/zinc/07/79/63/176077963.db2.gz IEJIMLDSAATWGJ-PWSUYJOCSA-N 0 0 233.315 2.127 50 0 BEAARN C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000000029278 176092852 /nfs/dbraw/zinc/09/28/52/176092852.db2.gz MWJUIOVZXZYXQX-GFCCVEGCSA-N 0 0 217.312 2.488 50 0 BEAARN C[C@@H](OCC1CC1)C(=O)N1CCC[C@@H](C)C1 ZINC000119534814 176094160 /nfs/dbraw/zinc/09/41/60/176094160.db2.gz ONLGCIZUVIEQQF-GHMZBOCLSA-N 0 0 225.332 2.060 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2ncncc2Cl)C1 ZINC000075104638 176096417 /nfs/dbraw/zinc/09/64/17/176096417.db2.gz OPNCIDXDUBSPSQ-MRVPVSSYSA-N 0 0 239.706 2.002 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2cscn2)CC1 ZINC000078482921 176096657 /nfs/dbraw/zinc/09/66/57/176096657.db2.gz ORSJIQSXTAJDMZ-SECBINFHSA-N 0 0 224.329 2.405 50 0 BEAARN C[C@@H]1CCCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000063282798 176104793 /nfs/dbraw/zinc/10/47/93/176104793.db2.gz WYYHMDDOKYHVOD-MRVPVSSYSA-N 0 0 241.722 2.462 50 0 BEAARN C[C@@H]1CCC[C@@H](C)N1Cn1ncn(C)c1=S ZINC000003276956 176116293 /nfs/dbraw/zinc/11/62/93/176116293.db2.gz TXDUKDIGBMQASO-NXEZZACHSA-N 0 0 240.376 2.171 50 0 BEAARN C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccco3)C(=O)[C@@H]2C1 ZINC000018241707 176217911 /nfs/dbraw/zinc/21/79/11/176217911.db2.gz JMMKPJPQXJTMSO-ADEWGFFLSA-N 0 0 247.294 2.201 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H](C)O1 ZINC000005673165 176241142 /nfs/dbraw/zinc/24/11/42/176241142.db2.gz LRHCUXPHENVHGT-RYYBZQDPSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@@H]1CCN(C(=O)NCc2ccoc2)C[C@H]1C ZINC000179304715 176251742 /nfs/dbraw/zinc/25/17/42/176251742.db2.gz KPWCPHNQQPMQQA-GHMZBOCLSA-N 0 0 236.315 2.467 50 0 BEAARN C[C@@H]1CN(Cc2cccc(O)c2)C(C)(C)CO1 ZINC000097139400 176306597 /nfs/dbraw/zinc/30/65/97/176306597.db2.gz BGKAKNWJGDXPAZ-LLVKDONJSA-N 0 0 235.327 2.392 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000013019329 176431957 /nfs/dbraw/zinc/43/19/57/176431957.db2.gz ZTPCUNRIPJRXME-ZWNOBZJWSA-N 0 0 242.322 2.483 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCCc1ccccc1 ZINC000013327819 176432127 /nfs/dbraw/zinc/43/21/27/176432127.db2.gz HLIGIRHLLXJEBJ-ZYHUDNBSSA-N 0 0 203.285 2.001 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005555646 176433132 /nfs/dbraw/zinc/43/31/32/176433132.db2.gz IUNLWISKZNCPQG-VXNVDRBHSA-N 0 0 219.240 2.010 50 0 BEAARN C[C@H](C(=O)N(C)Cc1ccsc1)n1cccn1 ZINC000044681065 176559333 /nfs/dbraw/zinc/55/93/33/176559333.db2.gz SWGUNXQXTNRCNG-SNVBAGLBSA-N 0 0 249.339 2.164 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)CSC(F)(F)F ZINC000058266627 176591760 /nfs/dbraw/zinc/59/17/60/176591760.db2.gz VVIWXMAHNPFCNU-ZCFIWIBFSA-N 0 0 241.278 2.496 50 0 BEAARN C[C@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000000860001 176599411 /nfs/dbraw/zinc/59/94/11/176599411.db2.gz MBOHDDFPFVOVGY-GFCCVEGCSA-N 0 0 233.311 2.039 50 0 BEAARN C[C@H](Cn1cccn1)NC(=O)Nc1ccccc1 ZINC000027355702 176730028 /nfs/dbraw/zinc/73/00/28/176730028.db2.gz BIGZCKUASAYEFZ-LLVKDONJSA-N 0 0 244.298 2.093 50 0 BEAARN C[C@H](NC(=O)NC1CCCCC1)[C@@H]1CCCO1 ZINC000016972438 176800267 /nfs/dbraw/zinc/80/02/67/176800267.db2.gz JBKLNOYKBRTWAA-JQWIXIFHSA-N 0 0 240.347 2.186 50 0 BEAARN C[C@H](NC(=O)c1cccc(F)c1)C1CC1 ZINC000000283603 176819512 /nfs/dbraw/zinc/81/95/12/176819512.db2.gz AWLFANMRRMDUPX-QMMMGPOBSA-N 0 0 207.248 2.354 50 0 BEAARN C[C@H](O)c1c(Cl)n(C)nc1C(F)(F)F ZINC000000168195 177015660 /nfs/dbraw/zinc/01/56/60/177015660.db2.gz SDJZRAZGACHQDT-VKHMYHEASA-N 0 0 228.601 2.146 50 0 BEAARN C[C@H](Oc1cccc(C(C)(C)C)c1)C(N)=O ZINC000044865893 177023084 /nfs/dbraw/zinc/02/30/84/177023084.db2.gz ZINOFRNCTLSRTQ-VIFPVBQESA-N 0 0 221.300 2.237 50 0 BEAARN C[C@@H](O)[C@H](C)SCc1nccn1C(F)F ZINC000096430309 177028269 /nfs/dbraw/zinc/02/82/69/177028269.db2.gz BFGLPRYCFJTQGJ-RQJHMYQMSA-N 0 0 236.287 2.281 50 0 BEAARN C[C@H](c1ccc2ccccc2c1)[C@H]([NH3+])C(=O)[O-] ZINC000005723119 177035277 /nfs/dbraw/zinc/03/52/77/177035277.db2.gz LULOASYNEZFLJY-RNCFNFMXSA-N 0 0 229.279 2.355 50 0 BEAARN C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccon1 ZINC000095429843 177036127 /nfs/dbraw/zinc/03/61/27/177036127.db2.gz LXCVPFDGDPAYCO-SECBINFHSA-N 0 0 246.266 2.213 50 0 BEAARN C[C@H](c1cccc(O)c1)N(C)Cc1cncn1C ZINC000072312091 177037705 /nfs/dbraw/zinc/03/77/05/177037705.db2.gz RIMXANFWIVLGDY-LLVKDONJSA-N 0 0 245.326 2.319 50 0 BEAARN C[C@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000046125186 177072381 /nfs/dbraw/zinc/07/23/81/177072381.db2.gz LSPJAKHEBSBMQL-NWDGAFQWSA-N 0 0 225.332 2.347 50 0 BEAARN C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000040466500 177073736 /nfs/dbraw/zinc/07/37/36/177073736.db2.gz HSZLHXYJYTUWHE-SMDDNHRTSA-N 0 0 245.322 2.391 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=O)COc1ccccn1 ZINC000047824108 177088081 /nfs/dbraw/zinc/08/80/81/177088081.db2.gz WZYVDHDGBNQEQH-NWDGAFQWSA-N 0 0 248.326 2.155 50 0 BEAARN C[C@H]1CCCC[C@]12NC(=S)N(C(C)(C)C)N2 ZINC000000550091 177091234 /nfs/dbraw/zinc/09/12/34/177091234.db2.gz QZZOYHXPHZOAIV-JOYOIKCWSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000011954080 177101681 /nfs/dbraw/zinc/10/16/81/177101681.db2.gz KGXNIYZKBVFNRF-VIFPVBQESA-N 0 0 223.272 2.210 50 0 BEAARN C[C@H]1CCC[C@@]2(C1)NC(=S)N(C(C)(C)C)N2 ZINC000000139820 177128102 /nfs/dbraw/zinc/12/81/02/177128102.db2.gz IARFFTLYQWSPOS-JOYOIKCWSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@H]1CCC[C@H](C)N1C(=O)N1CCCO1 ZINC000096501720 177131028 /nfs/dbraw/zinc/13/10/28/177131028.db2.gz LCHNEYMYERFGRS-UWVGGRQHSA-N 0 0 212.293 2.007 50 0 BEAARN C[C@H]1CCc2c(sc3[nH]cnc(=NN)c23)C1 ZINC000000144673 177209156 /nfs/dbraw/zinc/20/91/56/177209156.db2.gz JYAWOBURGLFWTJ-LURJTMIESA-N 0 0 234.328 2.102 50 0 BEAARN C[C@H]1CCc2c(sc3ncn4cnnc4c23)C1 ZINC000000158857 177209247 /nfs/dbraw/zinc/20/92/47/177209247.db2.gz UAYUDDKMBRQIIL-ZETCQYMHSA-N 0 0 244.323 2.464 50 0 BEAARN C[C@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 ZINC000002803363 177210190 /nfs/dbraw/zinc/21/01/90/177210190.db2.gz YWXPZFJDJDQXJB-VIFPVBQESA-N 0 0 248.326 2.472 50 0 BEAARN C[C@H]1CN(C(=O)C2CCCCC2)C[C@H](C)O1 ZINC000000318401 177213738 /nfs/dbraw/zinc/21/37/38/177213738.db2.gz IUSTWWDPIVXYHN-QWRGUYRKSA-N 0 0 225.332 2.203 50 0 BEAARN COc1cccc(CNCc2c[nH]nc2C)c1F ZINC000669679635 487637599 /nfs/dbraw/zinc/63/75/99/487637599.db2.gz DPGSRDSENVPPEQ-UHFFFAOYSA-N 0 0 249.289 2.156 50 0 BEAARN C[C@H]1CN(CC(=O)c2cccs2)C[C@H](C)O1 ZINC000025264913 177244557 /nfs/dbraw/zinc/24/45/57/177244557.db2.gz FBZPIFAWZWCJQW-UWVGGRQHSA-N 0 0 239.340 2.040 50 0 BEAARN C[C@@H]1CN(CCOc2ccccc2)C[C@H](C)O1 ZINC000016193156 177252617 /nfs/dbraw/zinc/25/26/17/177252617.db2.gz UWBRSERUKWEFPC-BETUJISGSA-N 0 0 235.327 2.175 50 0 BEAARN C[C@H]1CN(CCOc2ccccc2)C[C@H](C)O1 ZINC000020118260 177253096 /nfs/dbraw/zinc/25/30/96/177253096.db2.gz UWBRSERUKWEFPC-STQMWFEESA-N 0 0 235.327 2.175 50 0 BEAARN C[C@H]1CN(Cc2cccc(F)c2F)CCO1 ZINC000054172368 177264249 /nfs/dbraw/zinc/26/42/49/177264249.db2.gz UZISXBYHRQHUDI-VIFPVBQESA-N 0 0 227.254 2.186 50 0 BEAARN C[C@H]1CN(Cc2cnc(Cl)s2)C[C@H](C)O1 ZINC000020405789 177269438 /nfs/dbraw/zinc/26/94/38/177269438.db2.gz ZDJTWVZXRZKZTD-YUMQZZPRSA-N 0 0 246.763 2.406 50 0 BEAARN C[C@@H]1CN(c2nc3ccccc3o2)C[C@H](C)O1 ZINC000012936338 177278266 /nfs/dbraw/zinc/27/82/66/177278266.db2.gz YQNNYXSTVAYHMT-AOOOYVTPSA-N 0 0 232.283 2.441 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C\c2ccccc2)[C@@H](C)CO1 ZINC000106048173 177300917 /nfs/dbraw/zinc/30/09/17/177300917.db2.gz ONGFIMHMTAZHPB-GFUJYOBASA-N 0 0 245.322 2.336 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2N)C1 ZINC000017744710 177312170 /nfs/dbraw/zinc/31/21/70/177312170.db2.gz HBRDSVZHQXKCKQ-PHIMTYICSA-N 0 0 232.327 2.387 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccncc2)C1 ZINC000000474550 177357627 /nfs/dbraw/zinc/35/76/27/177357627.db2.gz CDGRLWYOLPOJIH-QWRGUYRKSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@H]1C[C@H](Nc2ccc(F)cn2)CCO1 ZINC000235700910 177372751 /nfs/dbraw/zinc/37/27/51/177372751.db2.gz SYYZWFAFVALURK-WCBMZHEXSA-N 0 0 210.252 2.200 50 0 BEAARN C[C@H]1C[C@H]1c1nc(-c2cccnc2)no1 ZINC000225555520 177386883 /nfs/dbraw/zinc/38/68/83/177386883.db2.gz TVLITCPZOFCKOX-IONNQARKSA-N 0 0 201.229 2.255 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)NC1CC1 ZINC000032843675 177389461 /nfs/dbraw/zinc/38/94/61/177389461.db2.gz YPWSYYFLXAFOSZ-VIFPVBQESA-N 0 0 216.284 2.310 50 0 BEAARN C[C@H]1Cn2c(nnc2-c2ccccc2O)S1 ZINC000013130008 177392676 /nfs/dbraw/zinc/39/26/76/177392676.db2.gz QHRRXITYEUNTHZ-ZETCQYMHSA-N 0 0 233.296 2.145 50 0 BEAARN C[C@H]1Oc2ccc(C(F)(F)F)cc2NC1=O ZINC000062530095 177410495 /nfs/dbraw/zinc/41/04/95/177410495.db2.gz WZIHGKCKNMYGFV-RXMQYKEDSA-N 0 0 231.173 2.425 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)c2cnccn2)[C@H]1C ZINC000298267389 177425751 /nfs/dbraw/zinc/42/57/51/177425751.db2.gz FXQLTXZPVNTNIB-OUAUKWLOSA-N 0 0 233.315 2.031 50 0 BEAARN C[C@]12NC(=O)O[C@@]1(C)CCc1ccccc12 ZINC000004343966 177483961 /nfs/dbraw/zinc/48/39/61/177483961.db2.gz XJVXPDBBVSIYOA-QWHCGFSZSA-N 0 0 217.268 2.347 50 0 BEAARN Cc1n[nH]cc1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000087782140 177544540 /nfs/dbraw/zinc/54/45/40/177544540.db2.gz PXLOMUMDRSEITK-CMPLNLGQSA-N 0 0 233.315 2.123 50 0 BEAARN Cc1c(C)n(C[C@@H]2CCCO2)c(C)c1C=O ZINC000022122450 177578008 /nfs/dbraw/zinc/57/80/08/177578008.db2.gz RTCIMGGSQZVQNQ-LBPRGKRZSA-N 0 0 221.300 2.405 50 0 BEAARN Cc1c(N)cccc1NC(=O)C1CCC1 ZINC000020157037 177613718 /nfs/dbraw/zinc/61/37/18/177613718.db2.gz XZCAEUYEXHCYQM-UHFFFAOYSA-N 0 0 204.273 2.316 50 0 BEAARN Cc1c(NC(=O)NC2CCCCC2)cnn1C ZINC000032610952 177616885 /nfs/dbraw/zinc/61/68/85/177616885.db2.gz DWAPCLNXBAVTOB-UHFFFAOYSA-N 0 0 236.319 2.183 50 0 BEAARN Cc1[nH]nc(C(F)(F)F)c1-c1cnn(C)c1 ZINC000426596660 224873998 /nfs/dbraw/zinc/87/39/98/224873998.db2.gz VGWDGNZPBCLOJZ-UHFFFAOYSA-N 0 0 230.193 2.137 50 0 BEAARN COC(=O)c1ccc(Br)c(F)c1O ZINC000169796175 487653703 /nfs/dbraw/zinc/65/37/03/487653703.db2.gz QMIPVSYMHYYRBW-UHFFFAOYSA-N 0 0 249.035 2.080 50 0 BEAARN COC(=O)[C@@H]1CC[C@@](C)(c2ccccc2)C[C@@H]1O ZINC000101093646 262790974 /nfs/dbraw/zinc/79/09/74/262790974.db2.gz VDEOOOAGQZSXHA-VNHYZAJKSA-N 0 0 248.322 2.278 50 0 BEAARN O=C(c1cccnc1)N1CCC[C@H]1C(F)(F)F ZINC000527629240 262866343 /nfs/dbraw/zinc/86/63/43/262866343.db2.gz HGOOCVKKLVHRPQ-VIFPVBQESA-N 0 0 244.216 2.249 50 0 BEAARN CCc1nc(CN2CCC[C@@H]2C(F)(F)F)no1 ZINC000527629575 262866365 /nfs/dbraw/zinc/86/63/65/262866365.db2.gz KOSAAIJQZGVWLK-SSDOTTSWSA-N 0 0 249.236 2.159 50 0 BEAARN CCCC(=O)Nc1nnc(-c2ccccn2)s1 ZINC000046755218 487734210 /nfs/dbraw/zinc/73/42/10/487734210.db2.gz RKMGIASNNUNWMX-UHFFFAOYSA-N 0 0 248.311 2.339 50 0 BEAARN COCCOc1ccc(N)cc1Br ZINC000043597616 487813851 /nfs/dbraw/zinc/81/38/51/487813851.db2.gz LTGHWSDWKNFALE-UHFFFAOYSA-N 0 0 246.104 2.057 50 0 BEAARN O=C(c1ccc(F)cc1)N1Cc2cccnc2C1 ZINC000559253827 322960904 /nfs/dbraw/zinc/96/09/04/322960904.db2.gz HXYKSUAFBPQVKF-UHFFFAOYSA-N 0 0 242.253 2.377 50 0 BEAARN Cc1ccoc1C(=O)O[C@H](C)Cn1cccn1 ZINC000083792781 487936329 /nfs/dbraw/zinc/93/63/29/487936329.db2.gz DYKFDJYIWAYABN-SNVBAGLBSA-N 0 0 234.255 2.030 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccc(C)nc1 ZINC000049201625 487944503 /nfs/dbraw/zinc/94/45/03/487944503.db2.gz YLNYMJCDQMTDLL-YHYXMXQVSA-N 0 0 218.300 2.363 50 0 BEAARN CC(=O)N1N=C2CCCC[C@@H]2[C@@H]1C(C)C ZINC000000238678 322809369 /nfs/dbraw/zinc/80/93/69/322809369.db2.gz PUAQGLLTOYVTSQ-JQWIXIFHSA-N 0 0 208.305 2.419 50 0 BEAARN CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001599532 322810461 /nfs/dbraw/zinc/81/04/61/322810461.db2.gz RFKPFCKZTDNVKT-UHFFFAOYSA-N 0 0 204.056 2.353 50 0 BEAARN O=C(C/C=C\c1cccc(F)c1)N1CCC1 ZINC000530915567 322898459 /nfs/dbraw/zinc/89/84/59/322898459.db2.gz KDPAGIAYNAZPEG-DJWKRKHSSA-N 0 0 219.259 2.461 50 0 BEAARN CSc1cccc(N(C)Cc2cnnn2C)c1 ZINC000097376939 322987947 /nfs/dbraw/zinc/98/79/47/322987947.db2.gz WBGBYVRJHXBTBX-UHFFFAOYSA-N 0 0 248.355 2.173 50 0 BEAARN Oc1ccc(/C=C\c2ccncn2)cc1F ZINC000534299129 323115774 /nfs/dbraw/zinc/11/57/74/323115774.db2.gz OZUIUJDXDIIUEE-IWQZZHSRSA-N 0 0 216.215 2.492 50 0 BEAARN Cc1cccc(-c2ccc(C(N)=O)cn2)c1F ZINC000534655195 323157865 /nfs/dbraw/zinc/15/78/65/323157865.db2.gz FZMCMTRDDWOUAI-UHFFFAOYSA-N 0 0 230.242 2.295 50 0 BEAARN CO[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000049080936 323158190 /nfs/dbraw/zinc/15/81/90/323158190.db2.gz JKUSOQFPUNDOKP-BRZBPJHZSA-N 0 0 237.343 2.106 50 0 BEAARN O=C(C[C@@H]1CCOC1)NC1(C2CCCC2)CC1 ZINC000534667017 323158400 /nfs/dbraw/zinc/15/84/00/323158400.db2.gz HHPOAXUJZHQIHL-NSHDSACASA-N 0 0 237.343 2.252 50 0 BEAARN Cc1cc(-c2ccc3nc([C@@H](C)O)[nH]c3c2)n[nH]1 ZINC000534675028 323158672 /nfs/dbraw/zinc/15/86/72/323158672.db2.gz QJYKLYHTPVJULE-MRVPVSSYSA-N 0 0 242.282 2.315 50 0 BEAARN Cc1ccc(/C=C\C(=O)c2ccc[n+]([O-])c2)o1 ZINC000004566994 323235162 /nfs/dbraw/zinc/23/51/62/323235162.db2.gz NLWBPJMMSUPUTQ-SREVYHEPSA-N 0 0 229.235 2.118 50 0 BEAARN CC(=O)OCC[C@@H](C)CC/C=C(\C)CO ZINC000034541977 323235652 /nfs/dbraw/zinc/23/56/52/323235652.db2.gz GBIQYPYLPUCGRZ-OTXQMUPVSA-N 0 0 214.305 2.295 50 0 BEAARN c1ccc([C@H]2OC[C@H]3OC=CC[C@@H]3O2)cc1 ZINC000039284010 323236431 /nfs/dbraw/zinc/23/64/31/323236431.db2.gz ZWTPHMOGEFPPBJ-XQQFMLRXSA-N 0 0 218.252 2.403 50 0 BEAARN O[C@@H]1C=CCC2(CCCC2)[C@]12CCCO2 ZINC000043198880 323236750 /nfs/dbraw/zinc/23/67/50/323236750.db2.gz YJIXCWYIXRYXMS-YPMHNXCESA-N 0 0 208.301 2.417 50 0 BEAARN NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000077632512 323302809 /nfs/dbraw/zinc/30/28/09/323302809.db2.gz YSEGTFIIMDFOSD-JTQLQIEISA-N 0 0 208.236 2.041 50 0 BEAARN Cn1ncc(Cl)c1/C=C/c1ccncn1 ZINC000122711264 324054208 /nfs/dbraw/zinc/05/42/08/324054208.db2.gz UIIMFXWSDQAWKX-NSCUHMNNSA-N 0 0 220.663 2.034 50 0 BEAARN Cc1nc(CN2CCC(C(F)(F)F)CC2)no1 ZINC000075969314 325323926 /nfs/dbraw/zinc/32/39/26/325323926.db2.gz YYQIZWBZPFGQOU-UHFFFAOYSA-N 0 0 249.236 2.152 50 0 BEAARN C[C@@H](N[C@H](C)c1nccn1C)c1cscn1 ZINC000566865153 326090009 /nfs/dbraw/zinc/09/00/09/326090009.db2.gz USHZXCKBKDDEAS-RKDXNWHRSA-N 0 0 236.344 2.288 50 0 BEAARN Cc1nn(C)c(C)c1OC(=O)CCc1ccco1 ZINC000084012278 487984014 /nfs/dbraw/zinc/98/40/14/487984014.db2.gz RWOBRMRUHNDLRQ-UHFFFAOYSA-N 0 0 248.282 2.168 50 0 BEAARN C[C@H]1CN([C@H]2C[C@@H](C)OC2=O)[C@H]1c1ccccc1 ZINC000081574263 488021439 /nfs/dbraw/zinc/02/14/39/488021439.db2.gz VZPKTQTXIBKXIT-UZGDPCLZSA-N 0 0 245.322 2.383 50 0 BEAARN O=c1cc[nH]c2cccc(Br)c12 ZINC000072482148 488041401 /nfs/dbraw/zinc/04/14/01/488041401.db2.gz LBHOUIRHKSQBFO-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN Cc1ncnc(N2CCOC3(CCCC3)C2)c1C ZINC000091551820 488057002 /nfs/dbraw/zinc/05/70/02/488057002.db2.gz UAQUDVYDZNSIEP-UHFFFAOYSA-N 0 0 247.342 2.243 50 0 BEAARN CO[C@@H](C)c1noc([C@H]2COc3ccccc32)n1 ZINC000084667791 488078282 /nfs/dbraw/zinc/07/82/82/488078282.db2.gz VEYHECKATYNYDD-WPRPVWTQSA-N 0 0 246.266 2.301 50 0 BEAARN Cc1cc(CN(C)c2nc(C)ncc2C)ccn1 ZINC000670444988 487493977 /nfs/dbraw/zinc/49/39/77/487493977.db2.gz LYSWLHGRMAHSED-UHFFFAOYSA-N 0 0 242.326 2.433 50 0 BEAARN CC(C)c1nc(I)c[nH]1 ZINC000118232284 487498951 /nfs/dbraw/zinc/49/89/51/487498951.db2.gz BECHBBMVXWYRDE-UHFFFAOYSA-N 0 0 236.056 2.138 50 0 BEAARN CCCc1cnc(N(C)CC2(CO)CCC2)nc1 ZINC000670453439 487506983 /nfs/dbraw/zinc/50/69/83/487506983.db2.gz KDUKUQMBFPWUMX-UHFFFAOYSA-N 0 0 249.358 2.028 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCc1cncn1C1CC1 ZINC000670464661 487517244 /nfs/dbraw/zinc/51/72/44/487517244.db2.gz WBHQVBVRYQUMKI-NSHDSACASA-N 0 0 245.326 2.191 50 0 BEAARN C[C@H](NC(=O)NCc1ccco1)c1ccncc1 ZINC000048455459 487918054 /nfs/dbraw/zinc/91/80/54/487918054.db2.gz ADOPHLVSQRANQL-JTQLQIEISA-N 0 0 245.282 2.235 50 0 BEAARN CC(=O)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000670417730 488183866 /nfs/dbraw/zinc/18/38/66/488183866.db2.gz NNIFOCKTGZIFOD-QPJJXVBHSA-N 0 0 223.659 2.016 50 0 BEAARN COc1cccc(CNc2cnccn2)c1F ZINC000193177132 488234401 /nfs/dbraw/zinc/23/44/01/488234401.db2.gz PQUPAXHUYPAWHY-UHFFFAOYSA-N 0 0 233.246 2.236 50 0 BEAARN CCOc1c(=O)c(=O)c1Nc1cccc(C)c1C ZINC000033265776 490291751 /nfs/dbraw/zinc/29/17/51/490291751.db2.gz CVTAMLAAFDCUDZ-UHFFFAOYSA-N 0 0 245.278 2.042 50 0 BEAARN CC[C@@H](COC)Nc1c[nH]nc1-c1ccccn1 ZINC000097101644 490317522 /nfs/dbraw/zinc/31/75/22/490317522.db2.gz ANYXAJMVUCMXQA-JTQLQIEISA-N 0 0 246.314 2.309 50 0 BEAARN COC(=O)[C@H](NCc1ccsc1)C(C)(C)C ZINC000097162280 490326217 /nfs/dbraw/zinc/32/62/17/490326217.db2.gz MNOPMORBIRYDBI-JTQLQIEISA-N 0 0 241.356 2.425 50 0 BEAARN CCc1ccc(CC(=O)NC2CC2)cc1 ZINC000071754936 491121889 /nfs/dbraw/zinc/12/18/89/491121889.db2.gz MRVBJPCABDICRB-UHFFFAOYSA-N 0 0 203.285 2.070 50 0 BEAARN COc1ccc(Br)c(CO)c1C ZINC000072137440 491122359 /nfs/dbraw/zinc/12/23/59/491122359.db2.gz OHRSMCHEHNKULS-UHFFFAOYSA-N 0 0 231.089 2.258 50 0 BEAARN COC(=O)c1cc(O)c(C)cc1Cl ZINC000498045249 533896987 /nfs/dbraw/zinc/89/69/87/533896987.db2.gz FURJLGIUPNJXMB-UHFFFAOYSA-N 0 0 200.621 2.141 50 0 BEAARN C1CC1c1noc(N[C@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000242263427 518578483 /nfs/dbraw/zinc/57/84/83/518578483.db2.gz XZBKCWOLPLCESY-VWYCJHECSA-N 0 0 249.314 2.317 50 0 BEAARN C=CC(=O)NC[C@H]1C[C@]1(C)c1cccs1 ZINC000390834693 518680020 /nfs/dbraw/zinc/68/00/20/518680020.db2.gz PSDIPHLPFSCPHN-SKDRFNHKSA-N 0 0 221.325 2.328 50 0 BEAARN CC(C)(C)[C@H]1C[C@@H]2C[C@@H](CO)C[C@H](C1)[C@H]2O ZINC000253623368 518981057 /nfs/dbraw/zinc/98/10/57/518981057.db2.gz LOIWTPLUDGDWQK-CXYFJQCHSA-N 0 0 226.360 2.438 50 0 BEAARN CC(C)OCCCNC(=O)c1ccc(F)cc1 ZINC000002858236 519764417 /nfs/dbraw/zinc/76/44/17/519764417.db2.gz ZDHPBWOLOHUTLN-UHFFFAOYSA-N 0 0 239.290 2.371 50 0 BEAARN CCCCC(=O)NC[C@@H](O)c1ccccc1C ZINC000079028533 519911796 /nfs/dbraw/zinc/91/17/96/519911796.db2.gz IYJQYYKBZIJDNY-CYBMUJFWSA-N 0 0 235.327 2.335 50 0 BEAARN CCOC[C@@H]1CCCN1Cc1nccn1C1CC1 ZINC000244852987 520116865 /nfs/dbraw/zinc/11/68/65/520116865.db2.gz VDCRVOYOFKEYRP-ZDUSSCGKSA-N 0 0 249.358 2.219 50 0 BEAARN CCOC[C@H]1CCCN1Cc1nccn1C1CC1 ZINC000244852986 520173317 /nfs/dbraw/zinc/17/33/17/520173317.db2.gz VDCRVOYOFKEYRP-CYBMUJFWSA-N 0 0 249.358 2.219 50 0 BEAARN CCCCOCc1nc(-c2ccc(C)nn2)no1 ZINC000091519157 520809830 /nfs/dbraw/zinc/80/98/30/520809830.db2.gz GCLVPNJNECBFCP-UHFFFAOYSA-N 0 0 248.286 2.152 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)[C@@H]1CCOC1 ZINC000069311125 521032549 /nfs/dbraw/zinc/03/25/49/521032549.db2.gz MHBDSUNABQRGHC-VXGBXAGGSA-N 0 0 227.348 2.356 50 0 BEAARN CCc1cccc(NC(=O)N(CCO)C2CC2)c1 ZINC000040526322 521759674 /nfs/dbraw/zinc/75/96/74/521759674.db2.gz JTZXXYKRXTYTOL-UHFFFAOYSA-N 0 0 248.326 2.238 50 0 BEAARN CN(C)c1ccc(CCCNC(=O)C2CC2)cc1 ZINC000011693646 522160687 /nfs/dbraw/zinc/16/06/87/522160687.db2.gz GRJMAMOQQKXSTJ-UHFFFAOYSA-N 0 0 246.354 2.211 50 0 BEAARN CCc1nnc(CSCc2cc(C)on2)o1 ZINC000089296267 522753335 /nfs/dbraw/zinc/75/33/35/522753335.db2.gz VZYQCXNOOXTSQH-UHFFFAOYSA-N 0 0 239.300 2.362 50 0 BEAARN CCc1noc(CN(C)Cc2ccc(C)o2)n1 ZINC000058311800 522896548 /nfs/dbraw/zinc/89/65/48/522896548.db2.gz HLEABURYPVBKMA-UHFFFAOYSA-N 0 0 235.287 2.165 50 0 BEAARN CN(Cc1ccco1)C(=O)CCc1ccco1 ZINC000040009647 523424026 /nfs/dbraw/zinc/42/40/26/523424026.db2.gz FOVNFZGPMIAHBD-UHFFFAOYSA-N 0 0 233.267 2.464 50 0 BEAARN CN(Cc1ccco1)C(=O)CC[C@H]1CCCO1 ZINC000040510389 523425492 /nfs/dbraw/zinc/42/54/92/523425492.db2.gz KIQDLSJUZPVWKF-LLVKDONJSA-N 0 0 237.299 2.197 50 0 BEAARN COCCCn1ccc(NCc2ccco2)n1 ZINC000089410414 523506079 /nfs/dbraw/zinc/50/60/79/523506079.db2.gz CFSOHSARYJJKMR-UHFFFAOYSA-N 0 0 235.287 2.125 50 0 BEAARN Cc1cccc(OCCNC(=O)NCC2CC2)c1 ZINC000025088332 524744941 /nfs/dbraw/zinc/74/49/41/524744941.db2.gz CQBRNNWDGSWBML-UHFFFAOYSA-N 0 0 248.326 2.083 50 0 BEAARN C[C@@H](NC(=O)NCC1CCCC1)C1CC1 ZINC000078554371 525195635 /nfs/dbraw/zinc/19/56/35/525195635.db2.gz IJJUZCZRFNSNTD-SECBINFHSA-N 0 0 210.321 2.274 50 0 BEAARN C[C@@H]1SCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@H]1C ZINC000248358725 525624547 /nfs/dbraw/zinc/62/45/47/525624547.db2.gz RCNDQRDFIRGGLB-KKJSVHSVSA-N 0 0 239.384 2.385 50 0 BEAARN CC(=O)c1ccc(O[C@H]2CCOC2)c(F)c1 ZINC000082453949 534871403 /nfs/dbraw/zinc/87/14/03/534871403.db2.gz ZKWUERXMPBWUDD-JTQLQIEISA-N 0 0 224.231 2.196 50 0 BEAARN Cc1cnc(C(=O)N(CC2CC2)CC2CC2)cn1 ZINC000078733276 525966255 /nfs/dbraw/zinc/96/62/55/525966255.db2.gz ZBIMSZJMXYFRSJ-UHFFFAOYSA-N 0 0 245.326 2.047 50 0 BEAARN Cc1ccc(C(=O)COCc2ncc[nH]2)cc1C ZINC000089643178 526049431 /nfs/dbraw/zinc/04/94/31/526049431.db2.gz NYVQGFVYJNMREZ-UHFFFAOYSA-N 0 0 244.294 2.426 50 0 BEAARN O[C@H]1C[C@@H](c2cc(N3CCCCCC3)ncn2)C1 ZINC000244787779 526315289 /nfs/dbraw/zinc/31/52/89/526315289.db2.gz QDOXCTDIMQWUOW-TXEJJXNPSA-N 0 0 247.342 2.095 50 0 BEAARN Cc1noc(C)c1CC(=O)N(C)Cc1ccco1 ZINC000039969270 526477325 /nfs/dbraw/zinc/47/73/25/526477325.db2.gz ZWVZCESPJQZUFL-UHFFFAOYSA-N 0 0 248.282 2.086 50 0 BEAARN O=C(CCNc1ccccc1)NCc1ccco1 ZINC000057992392 526514245 /nfs/dbraw/zinc/51/42/45/526514245.db2.gz XHCYCTIJIXXYMV-UHFFFAOYSA-N 0 0 244.294 2.398 50 0 BEAARN O=C(CCNc1ccccc1)NCC1CC1 ZINC000069439511 526515402 /nfs/dbraw/zinc/51/54/02/526515402.db2.gz PEPPXSBOJWIQCH-UHFFFAOYSA-N 0 0 218.300 2.015 50 0 BEAARN Nc1nccc(-c2ccc(-c3cccnc3)nc2)n1 ZINC000390822247 526845073 /nfs/dbraw/zinc/84/50/73/526845073.db2.gz DMRWXXATTMTGGA-UHFFFAOYSA-N 0 0 249.277 2.013 50 0 BEAARN CCCCNC(=O)COC(=O)c1ccc(C)cc1 ZINC000067208113 535284082 /nfs/dbraw/zinc/28/40/82/535284082.db2.gz OFCMFQVGYCHQCP-UHFFFAOYSA-N 0 0 249.310 2.068 50 0 BEAARN CCOCC(=O)N1CCCc2cccc(C)c21 ZINC000032905125 535409713 /nfs/dbraw/zinc/40/97/13/535409713.db2.gz GWEPLAYIDUNUCY-UHFFFAOYSA-N 0 0 233.311 2.311 50 0 BEAARN CCNc1ccnc(N2CCC(F)(F)CC2)n1 ZINC000065395990 535526676 /nfs/dbraw/zinc/52/66/76/535526676.db2.gz VZYCSUDALSLWJX-UHFFFAOYSA-N 0 0 242.273 2.144 50 0 BEAARN CC[C@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000335732367 536082890 /nfs/dbraw/zinc/08/28/90/536082890.db2.gz VJHIPGSULFSAGI-SFYZADRCSA-N 0 0 223.238 2.443 50 0 BEAARN CC[C@@]1(C)NC(=O)N(c2ccccc2C)N1 ZINC000334160519 536074720 /nfs/dbraw/zinc/07/47/20/536074720.db2.gz GKOQTMUSNIAMTM-LBPRGKRZSA-N 0 0 219.288 2.155 50 0 BEAARN CN1CC[C@H](N2CCCC2=O)c2ccccc21 ZINC000005328863 536478188 /nfs/dbraw/zinc/47/81/88/536478188.db2.gz IGIHGYKGRCPZCF-ZDUSSCGKSA-N 0 0 230.311 2.190 50 0 BEAARN COC1CCN(c2ccc(NC(C)=O)cc2)CC1 ZINC000096122383 536758412 /nfs/dbraw/zinc/75/84/12/536758412.db2.gz PZXKCYJHYLEMQK-UHFFFAOYSA-N 0 0 248.326 2.260 50 0 BEAARN CCCCNC(=O)c1cc2cc(C)ccc2nn1 ZINC000046087918 566355527 /nfs/dbraw/zinc/35/55/27/566355527.db2.gz TZYNMXUDPRKYBY-UHFFFAOYSA-N 0 0 243.310 2.468 50 0 BEAARN CCCCOC(=O)[C@@H](C)OC(=O)CCC ZINC000001655743 574411368 /nfs/dbraw/zinc/41/13/68/574411368.db2.gz NORZZKKLCYMBBF-SECBINFHSA-N 0 0 216.277 2.062 50 0 endogenous,in-man BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@@]12OC[C@H](CO)O2 ZINC000006031000 574412645 /nfs/dbraw/zinc/41/26/45/574412645.db2.gz ZBJCYZPANVLBRK-XQHKEYJVSA-N 0 0 228.332 2.183 50 0 endogenous,in-man BEAARN CC(C)(F)C(=O)c1nc(C2OCCO2)cs1 ZINC000757122931 582497796 /nfs/dbraw/zinc/49/77/96/582497796.db2.gz GVFDLNBHVOCLDM-UHFFFAOYSA-N 0 0 245.275 2.119 50 0 BEAARN C=CC(=O)N[C@@H]1COc2cccc(Cl)c21 ZINC000888098822 583181124 /nfs/dbraw/zinc/18/11/24/583181124.db2.gz SAMXZLPBQLDWFN-MRVPVSSYSA-N 0 0 223.659 2.076 50 0 BEAARN C=CC(=O)N[C@H]1C[C@]12CCCc1ccccc12 ZINC000888102353 583182372 /nfs/dbraw/zinc/18/23/72/583182372.db2.gz WXUPSFZUUJSXCK-ZFWWWQNUSA-N 0 0 227.307 2.335 50 0 BEAARN C=CC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000791375804 583408012 /nfs/dbraw/zinc/40/80/12/583408012.db2.gz JTKUEEPNCYIQIT-UHFFFAOYSA-N 0 0 249.285 2.134 50 0 BEAARN Cc1cc(C)n(CC(=O)Nc2cccc(F)c2)n1 ZINC000031546892 585029095 /nfs/dbraw/zinc/02/90/95/585029095.db2.gz VLTRQRGAXRCFPX-UHFFFAOYSA-N 0 0 247.273 2.278 50 0 BEAARN C=CC(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000791339313 585978021 /nfs/dbraw/zinc/97/80/21/585978021.db2.gz DBOCUDVEXBQCFM-ZDUSSCGKSA-N 0 0 245.322 2.415 50 0 BEAARN C=CC(=O)NC1(c2ccccc2F)CC1 ZINC000791363734 585978789 /nfs/dbraw/zinc/97/87/89/585978789.db2.gz IWHIPWOFXVAYTC-UHFFFAOYSA-N 0 0 205.232 2.117 50 0 BEAARN C=CC(=O)NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000791395375 585980404 /nfs/dbraw/zinc/98/04/04/585980404.db2.gz RSIWIPWRAWUSII-LBPRGKRZSA-N 0 0 245.322 2.417 50 0 BEAARN O=C([O-])[C@@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 ZINC000107470187 588367294 /nfs/dbraw/zinc/36/72/94/588367294.db2.gz NXAYXNDUQHLYJA-MNOVXSKESA-N 0 0 211.305 2.020 50 0 BEAARN C=CC(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000848979685 588422510 /nfs/dbraw/zinc/42/25/10/588422510.db2.gz XUHUPBNRZBSPLL-ZJUUUORDSA-N 0 0 211.330 2.059 50 0 BEAARN C=CC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000848979014 588422758 /nfs/dbraw/zinc/42/27/58/588422758.db2.gz IAWAMSLMSGLQSR-JSGCOSHPSA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)N1CCCc2c(NC(C)=O)cccc21 ZINC000848979163 588422793 /nfs/dbraw/zinc/42/27/93/588422793.db2.gz NOWAODBGVLKULS-UHFFFAOYSA-N 0 0 244.294 2.110 50 0 BEAARN C=CC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000848978971 588422847 /nfs/dbraw/zinc/42/28/47/588422847.db2.gz FRFFRISEYQVHCI-VIFPVBQESA-N 0 0 219.259 2.457 50 0 BEAARN CS(=O)(=O)CCSCc1ccsc1 ZINC000849883401 588506995 /nfs/dbraw/zinc/50/69/95/588506995.db2.gz BYDHXJKCYMMZQN-UHFFFAOYSA-N 0 0 236.383 2.026 50 0 BEAARN CCC1CCN(C(=O)[C@H](C)c2cnccn2)CC1 ZINC000863948154 589328970 /nfs/dbraw/zinc/32/89/70/589328970.db2.gz MQKPZJXRCCDEGI-LLVKDONJSA-N 0 0 247.342 2.229 50 0 BEAARN C=CC(=O)N1CCCc2ccccc2CC1 ZINC000863970665 589329627 /nfs/dbraw/zinc/32/96/27/589329627.db2.gz RSHHWRGKXYYOAC-UHFFFAOYSA-N 0 0 215.296 2.190 50 0 BEAARN C=CC(=O)N1CCN(C2CC2)c2ccccc21 ZINC000863971049 589330090 /nfs/dbraw/zinc/33/00/90/589330090.db2.gz CUBKWMDSUKYFPQ-UHFFFAOYSA-N 0 0 228.295 2.188 50 0 BEAARN C=CC(=O)N1CCC(c2ccc(C)nc2)CC1 ZINC000863971012 589330202 /nfs/dbraw/zinc/33/02/02/589330202.db2.gz AVIWZPYIAZSGNG-UHFFFAOYSA-N 0 0 230.311 2.282 50 0 BEAARN C=CC(=O)NC[C@H]1CSc2ccccc21 ZINC000863971168 589330286 /nfs/dbraw/zinc/33/02/86/589330286.db2.gz HOIAHBFJUZOQJF-VIFPVBQESA-N 0 0 219.309 2.178 50 0 BEAARN C=CC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000863971449 589330571 /nfs/dbraw/zinc/33/05/71/589330571.db2.gz TZOPCPNORULCSK-LBPRGKRZSA-N 0 0 216.284 2.177 50 0 BEAARN C=CC(=O)N1CCC[C@@H]1c1nc(C)cs1 ZINC000863971350 589330702 /nfs/dbraw/zinc/33/07/02/589330702.db2.gz PWZNXNYOXSFOPA-SECBINFHSA-N 0 0 222.313 2.301 50 0 BEAARN C=CC(=O)Nc1cc2cccnc2c(OC)c1 ZINC000863971339 589330777 /nfs/dbraw/zinc/33/07/77/589330777.db2.gz PJTXEGRXBFEPMF-UHFFFAOYSA-N 0 0 228.251 2.368 50 0 BEAARN Cc1ccc(C)c(CNc2cncc(CO)n2)c1 ZINC000871000921 589708668 /nfs/dbraw/zinc/70/86/68/589708668.db2.gz ZFCGPPANZOUTKO-UHFFFAOYSA-N 0 0 243.310 2.198 50 0 BEAARN Nc1ccc(OCCF)c(Br)c1 ZINC000137626491 592201907 /nfs/dbraw/zinc/20/19/07/592201907.db2.gz FHGLLNDACCWFER-UHFFFAOYSA-N 0 0 234.068 2.380 50 0 BEAARN CCCCC1(CCCC)C(=O)NC(=O)N=C1N ZINC000004951285 635169207 /nfs/dbraw/zinc/16/92/07/635169207.db2.gz VJNMUHALCAIAMB-UHFFFAOYSA-N 0 0 239.319 2.170 50 0 BEAARN C/C(=C\N(C)C)C(=O)c1ccc(F)cc1 ZINC000379660118 631228175 /nfs/dbraw/zinc/22/81/75/631228175.db2.gz QWILZOUDSZOPAK-CMDGGOBGSA-N 0 0 207.248 2.474 50 0 BEAARN O=C(N[C@H]1CCC[C@H](F)C1)c1cc(F)c[nH]1 ZINC000335523352 631237439 /nfs/dbraw/zinc/23/74/39/631237439.db2.gz USCUOYHOYWQEHB-CBAPKCEASA-N 0 0 228.242 2.164 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H](O)C2)C1 ZINC000238790027 635625294 /nfs/dbraw/zinc/62/52/94/635625294.db2.gz MUMPVHCQFGQIKY-MFKMUULPSA-N 0 0 241.331 2.158 50 0 BEAARN CCOC(=O)[C@@H](CCC(=O)CC(C)C)C(C)=O ZINC000002835878 631817769 /nfs/dbraw/zinc/81/77/69/631817769.db2.gz AUWMEMWRHUHEGL-LBPRGKRZSA-N 0 0 242.315 2.150 50 0 BEAARN CCC[C@H]1NC(=S)N(c2ccccc2)N1 ZINC000002893205 631947316 /nfs/dbraw/zinc/94/73/16/631947316.db2.gz DSSSGHUHYYKKGC-JTQLQIEISA-N 0 0 221.329 2.012 50 0 BEAARN Cc1cc(-c2nc(C(F)(F)F)nn2C)ccn1 ZINC000426422751 635712517 /nfs/dbraw/zinc/71/25/17/635712517.db2.gz DZKUVBATABFJDA-UHFFFAOYSA-N 0 0 242.204 2.204 50 0 BEAARN Cc1cc(C)n(-c2cccc(F)c2C=O)n1 ZINC000235827198 632838019 /nfs/dbraw/zinc/83/80/19/632838019.db2.gz RGLXDWFTMXDVSJ-UHFFFAOYSA-N 0 0 218.231 2.441 50 0 BEAARN COC(C)(C)c1cc(C(C)(C)C)nc(N)n1 ZINC000002565547 633022283 /nfs/dbraw/zinc/02/22/83/633022283.db2.gz VRJYTGXGMRGTJU-UHFFFAOYSA-N 0 0 223.320 2.238 50 0 BEAARN Clc1cccn2c1nnc2-c1ccncc1 ZINC000258500360 635163843 /nfs/dbraw/zinc/16/38/43/635163843.db2.gz ZAKWLYGRXRAWLF-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN Fc1cc(Cl)cnc1OC[C@H]1CCCO1 ZINC000094053518 635173641 /nfs/dbraw/zinc/17/36/41/635173641.db2.gz KBIWXSNDQMQSEY-MRVPVSSYSA-N 0 0 231.654 2.432 50 0 BEAARN C=CC(=O)N1CCC2(Cc3ccccc3C2)C1 ZINC000888098606 635376204 /nfs/dbraw/zinc/37/62/04/635376204.db2.gz LVKKFLXJRRFGOP-UHFFFAOYSA-N 0 0 227.307 2.190 50 0 BEAARN C=CC(=O)NCC1CCN(c2ccccc2)CC1 ZINC000888098632 635377047 /nfs/dbraw/zinc/37/70/47/635377047.db2.gz LZBKSPSGPAOXTC-UHFFFAOYSA-N 0 0 244.338 2.205 50 0 BEAARN C=CC(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000863971095 636732604 /nfs/dbraw/zinc/73/26/04/636732604.db2.gz FBRSPMIMAWDOGK-UHFFFAOYSA-N 0 0 235.674 2.351 50 0 BEAARN Cc1ccc(CN(C)[C@H](C)c2nc(C)no2)o1 ZINC000065622684 637914893 /nfs/dbraw/zinc/91/48/93/637914893.db2.gz GPHQDZIEMWEGSS-SECBINFHSA-N 0 0 235.287 2.472 50 0 BEAARN FC(F)(F)c1ccnc(-c2cn[nH]c2)c1 ZINC000032587043 641395921 /nfs/dbraw/zinc/39/59/21/641395921.db2.gz KNGHAPDBZVDQKQ-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN c1ccc2oc(O[C@H]3C[NH+]4CCC3CC4)nc2c1 ZINC000034147277 641973257 /nfs/dbraw/zinc/97/32/57/641973257.db2.gz ONZZUKINKMKNFG-ZDUSSCGKSA-N 0 0 244.294 2.301 50 0 BEAARN c1ccc2oc(O[C@@H]3C[NH+]4CCC3CC4)nc2c1 ZINC000034147276 641973860 /nfs/dbraw/zinc/97/38/60/641973860.db2.gz ONZZUKINKMKNFG-CYBMUJFWSA-N 0 0 244.294 2.301 50 0 BEAARN O=C(/C=C\c1ccco1)Nc1ccncc1 ZINC000033309465 642052696 /nfs/dbraw/zinc/05/26/96/642052696.db2.gz MDLIXKWGDZIHFI-ARJAWSKDSA-N 0 0 214.224 2.327 50 0 BEAARN Cc1cc(C)nc(S[C@@H]2CCCC[C@H]2O)n1 ZINC000000470353 642781407 /nfs/dbraw/zinc/78/14/07/642781407.db2.gz DQPQJMNHVCKZCS-GHMZBOCLSA-N 0 0 238.356 2.489 50 0 BEAARN Cc1cccc(NC(=O)[C@H]2CC(=O)OC2(C)C)c1 ZINC000000467216 642781470 /nfs/dbraw/zinc/78/14/70/642781470.db2.gz HRYKSFGWFBVTRU-LLVKDONJSA-N 0 0 247.294 2.275 50 0 BEAARN CCc1c(O)nc(SC)n([C@@H](C)CC)c1=O ZINC000000753282 642804148 /nfs/dbraw/zinc/80/41/48/642804148.db2.gz SWTDSBPCUKOSGS-ZETCQYMHSA-N 0 0 242.344 2.204 50 0 BEAARN C[C@@H](CCCC(C)(C)O)Nc1ncccn1 ZINC000022034739 643404667 /nfs/dbraw/zinc/40/46/67/643404667.db2.gz YBMRTWVXIVWCON-JTQLQIEISA-N 0 0 223.320 2.218 50 0 BEAARN CCCCCON1C(=O)c2ccccc2C1=O ZINC000022205951 643539430 /nfs/dbraw/zinc/53/94/30/643539430.db2.gz VAWXVCQCFIYSHB-UHFFFAOYSA-N 0 0 233.267 2.404 50 0 BEAARN Cn1ccnc1C(=O)N1CC[C@H]1c1cccs1 ZINC000952986145 643782155 /nfs/dbraw/zinc/78/21/55/643782155.db2.gz JVDHJJJRQYNQJG-VIFPVBQESA-N 0 0 247.323 2.069 50 0 BEAARN Cc1[nH]nc(N)c1-c1ccc(F)cc1F ZINC000081003454 644301756 /nfs/dbraw/zinc/30/17/56/644301756.db2.gz MVJSYGJFUAXCGN-UHFFFAOYSA-N 0 0 209.199 2.246 50 0 BEAARN CCc1nc(-c2cc(OC)ccc2OC)nn1C ZINC000952968484 644445493 /nfs/dbraw/zinc/44/54/93/644445493.db2.gz LWIDLWAEQIPRIQ-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN CCC[C@@H](C(=O)NC1CC1)n1cccc1 ZINC000952962516 644446041 /nfs/dbraw/zinc/44/60/41/644446041.db2.gz CBWOOUCETZXBBE-NSHDSACASA-N 0 0 206.289 2.108 50 0 BEAARN Cc1cc(CNC(=O)[C@@H]2CC2(C)C)cnc1C ZINC000952962748 644447334 /nfs/dbraw/zinc/44/73/34/644447334.db2.gz FQRUKAOMGOKCAA-LBPRGKRZSA-N 0 0 232.327 2.361 50 0 BEAARN CCc1[nH]nc(-c2nc(-c3ccco3)n[nH]2)c1C ZINC000952986667 644448411 /nfs/dbraw/zinc/44/84/11/644448411.db2.gz ZSEFQTWHVYBMDK-UHFFFAOYSA-N 0 0 243.270 2.326 50 0 BEAARN Nc1ccn2cc(-c3ccc(F)cc3)nc2n1 ZINC000091691093 644637123 /nfs/dbraw/zinc/63/71/23/644637123.db2.gz DAHLOBWNOWKEOX-UHFFFAOYSA-N 0 0 228.230 2.118 50 0 BEAARN CC(C)(C)NC=C1N=C(c2ccccc2)OC1=O ZINC000095950738 644783462 /nfs/dbraw/zinc/78/34/62/644783462.db2.gz NVPZVYZEFMRHQX-PKNBQFBNSA-N 0 0 244.294 2.220 50 0 BEAARN Cc1c2c([nH]c(=O)c1Br)CCC2 ZINC000950757470 712726299 /nfs/dbraw/zinc/72/62/99/712726299.db2.gz IAUKCLDPZPNTLQ-UHFFFAOYSA-N 0 0 228.089 2.347 50 0 BEAARN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCC1=O ZINC000065424183 712392487 /nfs/dbraw/zinc/39/24/87/712392487.db2.gz NIUFSJSYGGUULX-QMMMGPOBSA-N 0 0 237.303 2.051 50 0 BEAARN c1ccc(Cc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000065454042 712398442 /nfs/dbraw/zinc/39/84/42/712398442.db2.gz WPPLPRKWRJMPAE-NSHDSACASA-N 0 0 229.283 2.247 50 0 BEAARN CC[C@@H](NC(=O)c1ncc[nH]1)c1cccs1 ZINC000822662155 968530754 /nfs/dbraw/zinc/53/07/54/968530754.db2.gz OAXCAYHWQYUHDW-MRVPVSSYSA-N 0 0 235.312 2.352 50 0 BEAARN CCOc1ccccc1N1CCCC1=O ZINC000041213626 1166332433 /nfs/dbraw/zinc/33/24/33/1166332433.db2.gz XGAVOEFSEQQXIO-UHFFFAOYSA-N 0 0 205.257 2.212 50 0 BEAARN CCc1ccc([C@H](C)Nc2nnc(CN)o2)cc1 ZINC001772702613 1166509190 /nfs/dbraw/zinc/50/91/90/1166509190.db2.gz KWLSLUBIQIIZBO-VIFPVBQESA-N 0 0 246.314 2.264 50 0 BEAARN CC(C)(C)OC(=O)NCc1ccc(N)c(F)c1 ZINC000307258681 1166597567 /nfs/dbraw/zinc/59/75/67/1166597567.db2.gz CLKZOXVQYIRLNF-UHFFFAOYSA-N 0 0 240.278 2.433 50 0 BEAARN CON(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000073512404 1166846106 /nfs/dbraw/zinc/84/61/06/1166846106.db2.gz YSDMSSLIOHNOEE-NXEZZACHSA-N 0 0 239.702 2.463 50 0 BEAARN Nc1ccccc1C(=O)OC1CCCC1 ZINC000041580594 1167527765 /nfs/dbraw/zinc/52/77/65/1167527765.db2.gz YIFRECGSJCPFRE-UHFFFAOYSA-N 0 0 205.257 2.368 50 0 BEAARN C=CC(=O)N1CCC[C@H]1c1ccc(COC)o1 ZINC000585079664 972112140 /nfs/dbraw/zinc/11/21/40/972112140.db2.gz GIBSXAWHLXEBSD-NSHDSACASA-N 0 0 235.283 2.276 50 0 BEAARN FC1=CCCN(Cc2cccc3nonc32)C1 ZINC000585086479 972123295 /nfs/dbraw/zinc/12/32/95/972123295.db2.gz MNMYFVCXWBLVCY-UHFFFAOYSA-N 0 0 233.246 2.282 50 0 BEAARN C=CC(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000585124731 972154958 /nfs/dbraw/zinc/15/49/58/972154958.db2.gz PKSJXLXKESJXLH-ZDUSSCGKSA-N 0 0 247.294 2.146 50 0 BEAARN Cn1ccc(C(=O)N2CC=CC23CCCCC3)n1 ZINC000585127492 972160853 /nfs/dbraw/zinc/16/08/53/972160853.db2.gz BKFXWHYWEVAHIM-UHFFFAOYSA-N 0 0 245.326 2.135 50 0 BEAARN CCCn1c(C)cnc1CCNC(=O)C1CCC1 ZINC000581816844 959856589 /nfs/dbraw/zinc/85/65/89/959856589.db2.gz HZUPCTWJXZBAAD-UHFFFAOYSA-N 0 0 249.358 2.060 50 0 BEAARN O=C(C1CC1)N1CC[C@@H](c2ccsc2)C1 ZINC000675008115 960432198 /nfs/dbraw/zinc/43/21/98/960432198.db2.gz AXPJDJXDGZTFLH-SNVBAGLBSA-N 0 0 221.325 2.474 50 0 BEAARN O=c1cc(N2CCCC2)cnn1[C@H]1C=CCCC1 ZINC000137611279 963403155 /nfs/dbraw/zinc/40/31/55/963403155.db2.gz OTYWAPCUVWDQED-LBPRGKRZSA-N 0 0 245.326 2.125 50 0 BEAARN CC(C)n1cnnc1[C@H](C)NC(=O)C1CC=CC1 ZINC000822281036 968515824 /nfs/dbraw/zinc/51/58/24/968515824.db2.gz VSHBACOZJHLZKS-JTQLQIEISA-N 0 0 248.330 2.002 50 0 BEAARN CC[C@@H](c1ncnn1-c1ccccc1F)N(C)C ZINC000822667825 968530804 /nfs/dbraw/zinc/53/08/04/968530804.db2.gz YQGFLRFIEPNCQE-NSHDSACASA-N 0 0 248.305 2.419 50 0 BEAARN CCc1ncc(-c2ncnn2C(C)(C)C)cn1 ZINC000823556053 968547994 /nfs/dbraw/zinc/54/79/94/968547994.db2.gz LEHMWIVOONMCLW-UHFFFAOYSA-N 0 0 231.303 2.053 50 0 BEAARN COC(=O)NCC(c1ccco1)c1ccco1 ZINC000824155791 968579810 /nfs/dbraw/zinc/57/98/10/968579810.db2.gz BHOZRIQBFNNDCF-UHFFFAOYSA-N 0 0 235.239 2.361 50 0 BEAARN C[C@H](O)c1ncnn1Cc1ccccc1Cl ZINC000825596808 968648655 /nfs/dbraw/zinc/64/86/55/968648655.db2.gz GMEIAAZMDMPJMK-QMMMGPOBSA-N 0 0 237.690 2.033 50 0 BEAARN Cc1ccc(-c2c[nH]c([C@@H]3CNC(=O)C3)n2)s1 ZINC000200549486 970122387 /nfs/dbraw/zinc/12/23/87/970122387.db2.gz RRBOZBRGAHHIPL-QMMMGPOBSA-N 0 0 247.323 2.050 50 0 BEAARN CC(C)CC(=O)N[C@@H]1CCC12CCOCC2 ZINC000585409425 973910128 /nfs/dbraw/zinc/91/01/28/973910128.db2.gz RYEGVGDSFXKDRI-LLVKDONJSA-N 0 0 225.332 2.108 50 0 BEAARN O=C(N[C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000585409559 973913677 /nfs/dbraw/zinc/91/36/77/973913677.db2.gz PIEGJQODHMQKFU-CYBMUJFWSA-N 0 0 245.322 2.376 50 0 BEAARN Clc1cnc(O[C@H]2CCSC2)nc1 ZINC000585650524 973918603 /nfs/dbraw/zinc/91/86/03/973918603.db2.gz AUQBUIVFGVNQOU-ZETCQYMHSA-N 0 0 216.693 2.014 50 0 BEAARN c1ccc2c(c1)nccc2O[C@@H]1CCOC1 ZINC000585652311 973922021 /nfs/dbraw/zinc/92/20/21/973922021.db2.gz XCEZQLKMQUSJTM-SNVBAGLBSA-N 0 0 215.252 2.403 50 0 BEAARN CN(Cc1ncccn1)C(=O)CCCC1CC1 ZINC000952884126 974060638 /nfs/dbraw/zinc/06/06/38/974060638.db2.gz ZBKLSHVHVQZCMW-UHFFFAOYSA-N 0 0 233.315 2.015 50 0 BEAARN CN(CCCO)CC(F)(F)c1ccc(F)cc1 ZINC000952883549 974060705 /nfs/dbraw/zinc/06/07/05/974060705.db2.gz NKFALJUMKXFDPI-UHFFFAOYSA-N 0 0 247.260 2.232 50 0 BEAARN COc1c[nH]c(COCCC2CCC2)cc1=O ZINC000952881670 974063994 /nfs/dbraw/zinc/06/39/94/974063994.db2.gz QRWFMGHTQARMFY-UHFFFAOYSA-N 0 0 237.299 2.090 50 0 BEAARN C=CC(=O)N1CC(Cc2cccc(C)c2)C1 ZINC000952888224 974067072 /nfs/dbraw/zinc/06/70/72/974067072.db2.gz OSQVZBSRQPBUBT-UHFFFAOYSA-N 0 0 215.296 2.182 50 0 BEAARN COc1ccc(-n2cc(C3CC3)nn2)cc1F ZINC000888107086 987311300 /nfs/dbraw/zinc/31/13/00/987311300.db2.gz ZANJMFDSELDTRF-UHFFFAOYSA-N 0 0 233.246 2.292 50 0 BEAARN CC(C)c1ccc(N2CC[C@@H](C(C)(C)O)C2)nn1 ZINC001506420439 988780695 /nfs/dbraw/zinc/78/06/95/988780695.db2.gz HFRMGFZSKZJTCT-LLVKDONJSA-N 0 0 249.358 2.197 50 0 BEAARN CO[C@@H](C)c1ccc(-c2cncc(=O)[nH]2)cc1 ZINC001506411746 988782143 /nfs/dbraw/zinc/78/21/43/988782143.db2.gz KTUUMUYDLASRTG-VIFPVBQESA-N 0 0 230.267 2.144 50 0 BEAARN CO[C@H]1CCCN(c2nccc3ccncc32)C1 ZINC001529189087 990335178 /nfs/dbraw/zinc/33/51/78/990335178.db2.gz FTPVNMDQSGXGLC-LBPRGKRZSA-N 0 0 243.310 2.245 50 0 BEAARN CC(C)NC(=O)c1cc(O)ccc1OCC1CC1 ZINC001529592557 990356609 /nfs/dbraw/zinc/35/66/09/990356609.db2.gz HUQNCODAZDNJHO-UHFFFAOYSA-N 0 0 249.310 2.319 50 0 BEAARN Cc1cc(C)cc(OCC(=O)NC(C)C)c1 ZINC000041104096 177911312 /nfs/dbraw/zinc/91/13/12/177911312.db2.gz QMLMAFKBBUPGCF-UHFFFAOYSA-N 0 0 221.300 2.207 50 0 BEAARN CCN(CC)C(=O)/C=C/c1csc(C)n1 ZINC000058290894 398136495 /nfs/dbraw/zinc/13/64/95/398136495.db2.gz PPSQXPABLSXXDS-VOTSOKGWSA-N 0 0 224.329 2.333 50 0 BEAARN Cc1cc(C)n(C[C@@](C)(O)c2ccccc2)n1 ZINC000005379331 177929773 /nfs/dbraw/zinc/92/97/73/177929773.db2.gz GJCWQUSGMYXYIH-CQSZACIVSA-N 0 0 230.311 2.408 50 0 BEAARN CCC(CC)(CC)CNC(=O)[C@@H](C)OC ZINC000089942994 168314142 /nfs/dbraw/zinc/31/41/42/168314142.db2.gz KJZJHRUSMDGUCP-SNVBAGLBSA-N 0 0 215.337 2.354 50 0 BEAARN Cc1cc(C)nc(NC(=O)N2CCCC2)c1 ZINC000097142868 177939272 /nfs/dbraw/zinc/93/92/72/177939272.db2.gz BNZBJQGKCFADRH-UHFFFAOYSA-N 0 0 219.288 2.326 50 0 BEAARN CCC(CC)(CC)NC(=O)Cc1cncnc1 ZINC000279411842 168316638 /nfs/dbraw/zinc/31/66/38/168316638.db2.gz KMJUVPKZPWQSFT-UHFFFAOYSA-N 0 0 235.331 2.104 50 0 BEAARN Cc1cc(CCNC(=O)c2cccs2)on1 ZINC000077122650 177963667 /nfs/dbraw/zinc/96/36/67/177963667.db2.gz HYQBQAQNYNXKSP-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN Cc1cc(CN(C)C(=O)C2CCCC2)no1 ZINC000047665450 177967215 /nfs/dbraw/zinc/96/72/15/177967215.db2.gz IITLZLXCDHFIIQ-UHFFFAOYSA-N 0 0 222.288 2.132 50 0 BEAARN CCCC[C@@H]1C=CCN1C(=O)c1ccc(CO)o1 ZINC000071757220 398159184 /nfs/dbraw/zinc/15/91/84/398159184.db2.gz VUCFPEGTBUHTCB-LLVKDONJSA-N 0 0 249.310 2.343 50 0 BEAARN Cc1cc(CNC(=O)C=C(C2CC2)C2CC2)on1 ZINC000050353615 178011171 /nfs/dbraw/zinc/01/11/71/178011171.db2.gz FQRFUSKRTFZSOS-UHFFFAOYSA-N 0 0 246.310 2.346 50 0 BEAARN Cc1cc(CNCc2ccccc2)on1 ZINC000041042231 178027098 /nfs/dbraw/zinc/02/70/98/178027098.db2.gz YCMCQEQXYXBUEJ-UHFFFAOYSA-N 0 0 202.257 2.273 50 0 BEAARN CCOc1ccc(-c2ccnc(N)n2)cc1 ZINC000052811994 1171992215 /nfs/dbraw/zinc/99/22/15/1171992215.db2.gz ZVNORKVKJFLZLR-UHFFFAOYSA-N 0 0 215.256 2.125 50 0 BEAARN Cc1cc(Cn2ccnc2-c2ccccn2)on1 ZINC000071888749 178074074 /nfs/dbraw/zinc/07/40/74/178074074.db2.gz NNWURPWCNVHQSQ-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN CCN(C(=O)c1cccnc1)c1ncccc1C ZINC000241161278 398160334 /nfs/dbraw/zinc/16/03/34/398160334.db2.gz JZQLWGHDZLWTEY-UHFFFAOYSA-N 0 0 241.294 2.452 50 0 BEAARN Cc1cc(Cc2ccc(Cl)cc2)c(=O)[nH]n1 ZINC000000079006 178059679 /nfs/dbraw/zinc/05/96/79/178059679.db2.gz MQKYKHDHVYEVRU-UHFFFAOYSA-N 0 0 234.686 2.323 50 0 BEAARN Cc1cc(Cl)ccc1CNc1nncn1C ZINC000158746222 178067636 /nfs/dbraw/zinc/06/76/36/178067636.db2.gz DAJXPBCSLNOULK-UHFFFAOYSA-N 0 0 236.706 2.389 50 0 BEAARN Cc1cc(F)c(Br)cc1N ZINC000002563939 178075009 /nfs/dbraw/zinc/07/50/09/178075009.db2.gz DNCLVDGUXUSPTL-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cc(F)c(N)c(Br)c1 ZINC000015443746 178075563 /nfs/dbraw/zinc/07/55/63/178075563.db2.gz QVECFWRRZNGQDO-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cc(F)cc(C(=O)Nc2cnccn2)c1 ZINC000097146087 178076739 /nfs/dbraw/zinc/07/67/39/178076739.db2.gz ZPCFCVZABJLIAG-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN Cc1cc(F)ccc1C(=O)Nc1cnccn1 ZINC000097085158 178083947 /nfs/dbraw/zinc/08/39/47/178083947.db2.gz BZHLWIVQCBVRPT-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN CCc1c[nH]c(SCC(=O)OC(C)(C)C)n1 ZINC000129168433 398192699 /nfs/dbraw/zinc/19/26/99/398192699.db2.gz AZABJCKPZAQSGF-UHFFFAOYSA-N 0 0 242.344 2.406 50 0 BEAARN Cc1cc(N(C)C)ncc1Br ZINC000042783482 178096849 /nfs/dbraw/zinc/09/68/49/178096849.db2.gz FEJQYAMMSIPZQS-UHFFFAOYSA-N 0 0 215.094 2.219 50 0 BEAARN Cc1cc2nc(C)cc(N3CCC[C@@H]3C)n2n1 ZINC000072476613 178115185 /nfs/dbraw/zinc/11/51/85/178115185.db2.gz LVZRBLXDLMGZNI-NSHDSACASA-N 0 0 230.315 2.335 50 0 BEAARN Cc1cc(NC(=O)CN(C)C)c2ccccc2n1 ZINC000000104326 178129330 /nfs/dbraw/zinc/12/93/30/178129330.db2.gz UMEADKDHHOIVSX-UHFFFAOYSA-N 0 0 243.310 2.043 50 0 BEAARN CCC(CC)C(=O)Nc1nnc(COC)s1 ZINC000000204283 168342559 /nfs/dbraw/zinc/34/25/59/168342559.db2.gz SLAACFRZQUKXCU-UHFFFAOYSA-N 0 0 243.332 2.059 50 0 BEAARN Cc1cc(NC(=O)Cc2cccc(F)c2)no1 ZINC000024152692 178133783 /nfs/dbraw/zinc/13/37/83/178133783.db2.gz ZMDRCGDUAJNEKZ-UHFFFAOYSA-N 0 0 234.230 2.303 50 0 BEAARN Cc1cc(NC(=O)Cc2ccccc2C)no1 ZINC000006728649 178134712 /nfs/dbraw/zinc/13/47/12/178134712.db2.gz WHAUOJQMNBMFHF-UHFFFAOYSA-N 0 0 230.267 2.473 50 0 BEAARN Cc1cc(NC(=O)N2CCCCC2)no1 ZINC000006701377 178135866 /nfs/dbraw/zinc/13/58/66/178135866.db2.gz UPEYIHRESJNHPG-UHFFFAOYSA-N 0 0 209.249 2.001 50 0 BEAARN Cc1cc(NC(=O)N[C@@H](C)c2cccnc2)no1 ZINC000044891800 178140719 /nfs/dbraw/zinc/14/07/19/178140719.db2.gz PXBUXLMGDQSSFH-VIFPVBQESA-N 0 0 246.270 2.261 50 0 BEAARN Cc1cc(NC(=O)NCc2ccccc2)no1 ZINC000006729033 178141021 /nfs/dbraw/zinc/14/10/21/178141021.db2.gz STLGRULJZQMFQB-UHFFFAOYSA-N 0 0 231.255 2.305 50 0 BEAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)no1 ZINC000000116329 178146439 /nfs/dbraw/zinc/14/64/39/178146439.db2.gz OXVLRBMWVANPKJ-JTQLQIEISA-N 0 0 246.266 2.389 50 0 BEAARN Cc1cc(NC(=O)c2ccsc2)no1 ZINC000024491895 178151430 /nfs/dbraw/zinc/15/14/30/178151430.db2.gz FPRVQMWVUJLTPI-UHFFFAOYSA-N 0 0 208.242 2.297 50 0 BEAARN Cc1cc(NC(=O)c2ccnc(Cl)c2)n[nH]1 ZINC000047232105 178151746 /nfs/dbraw/zinc/15/17/46/178151746.db2.gz MRHPSHZACQHPQC-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN Cc1nc(C)c(C(=O)Nc2cc(C)ncn2)s1 ZINC000095961453 178153728 /nfs/dbraw/zinc/15/37/28/178153728.db2.gz QKJYGSVURWJROI-UHFFFAOYSA-N 0 0 248.311 2.111 50 0 BEAARN Cc1cc(NC(C2CC2)C2CC2)n2ncnc2n1 ZINC000042237821 178153890 /nfs/dbraw/zinc/15/38/90/178153890.db2.gz YSAAAJDGGKGOCY-UHFFFAOYSA-N 0 0 243.314 2.033 50 0 BEAARN Cc1cc(NCC(N)=O)nc2cc(Cl)ccc12 ZINC000055225886 178155898 /nfs/dbraw/zinc/15/58/98/178155898.db2.gz NUWRJKDZNXGJIZ-UHFFFAOYSA-N 0 0 249.701 2.094 50 0 BEAARN Cc1c(Cl)cccc1-n1cc([C@H](C)O)nn1 ZINC000163366196 538927865 /nfs/dbraw/zinc/92/78/65/538927865.db2.gz VXGQVAOXHFWACE-QMMMGPOBSA-N 0 0 237.690 2.282 50 0 BEAARN Cc1cc(NCCNc2ccccn2)nc(C)n1 ZINC000058311002 178161616 /nfs/dbraw/zinc/16/16/16/178161616.db2.gz WZIZOHMYPJAPBG-UHFFFAOYSA-N 0 0 243.314 2.012 50 0 BEAARN Cc1cc(Nc2ccccc2C)n2ncnc2n1 ZINC000018045509 178193492 /nfs/dbraw/zinc/19/34/92/178193492.db2.gz IBFDNTZQRMCCCF-UHFFFAOYSA-N 0 0 239.282 2.485 50 0 BEAARN CSC[C@@H](C)NC(=O)OC(C)(C)C ZINC000076301748 398235182 /nfs/dbraw/zinc/23/51/82/398235182.db2.gz LRSLSAJGUOCYDQ-SSDOTTSWSA-N 0 0 205.323 2.263 50 0 BEAARN Cc1cc([C@@H]2CCCN2c2ncccn2)no1 ZINC000032770061 178241582 /nfs/dbraw/zinc/24/15/82/178241582.db2.gz GYIATOUNOCIWGU-NSHDSACASA-N 0 0 230.271 2.115 50 0 BEAARN COc1ccc(N[C@@H](C)c2c[nH]nc2C)cn1 ZINC000170604064 361793487 /nfs/dbraw/zinc/79/34/87/361793487.db2.gz FQVZKSXCGLTDRY-QMMMGPOBSA-N 0 0 232.287 2.295 50 0 BEAARN CC1(C)CC[C@H](COC(=O)c2cscn2)O1 ZINC000170611845 361805315 /nfs/dbraw/zinc/80/53/15/361805315.db2.gz KWMICGSLYXHLLS-MRVPVSSYSA-N 0 0 241.312 2.258 50 0 BEAARN COC(=O)C[C@@H](C)OC(=O)c1sccc1C ZINC000097137077 398243112 /nfs/dbraw/zinc/24/31/12/398243112.db2.gz HOGBAILEPVCSNJ-MRVPVSSYSA-N 0 0 242.296 2.165 50 0 BEAARN Cc1cc2c(c(C)c1Cl)OC(=O)CN2 ZINC000096341563 178283807 /nfs/dbraw/zinc/28/38/07/178283807.db2.gz YPNIQJHBFNYCHF-UHFFFAOYSA-N 0 0 211.648 2.288 50 0 BEAARN Cc1cc2c(cc1Br)CC(=O)N2 ZINC000038476134 178285336 /nfs/dbraw/zinc/28/53/36/178285336.db2.gz UUYGDAWPONZNJF-UHFFFAOYSA-N 0 0 226.073 2.252 50 0 BEAARN Cc1cc2ccccc2n1CCNC(=O)C1CC1 ZINC000000427874 178297350 /nfs/dbraw/zinc/29/73/50/178297350.db2.gz YDCYPMALBPZRMW-UHFFFAOYSA-N 0 0 242.322 2.476 50 0 BEAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@H](C)N2 ZINC000004291309 178300872 /nfs/dbraw/zinc/30/08/72/178300872.db2.gz GVCUYVSDJYMDMA-FSPLSTOPSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2ncn(-c3ccc(=O)[nH]c3)c2cc1C ZINC000065527840 178305917 /nfs/dbraw/zinc/30/59/17/178305917.db2.gz YEEBDPFWNVCQKS-UHFFFAOYSA-N 0 0 239.278 2.331 50 0 BEAARN Cc1cc2nccc(-c3cccc(N)c3)n2n1 ZINC000012396182 178303681 /nfs/dbraw/zinc/30/36/81/178303681.db2.gz LPXFDJBDOGRJHN-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN O=C(c1coc(-c2ccccc2)n1)N1CCCO1 ZINC000097163155 398249522 /nfs/dbraw/zinc/24/95/22/398249522.db2.gz FZMZPLSPKMYRDQ-UHFFFAOYSA-N 0 0 244.250 2.119 50 0 BEAARN CSc1ccc(C2=NNC(=O)CC2)cc1 ZINC000024013695 538945091 /nfs/dbraw/zinc/94/50/91/538945091.db2.gz FUNIIXOVYZEFAY-UHFFFAOYSA-N 0 0 220.297 2.023 50 0 BEAARN Cc1ccc(-c2ccnc3ncnn32)cc1 ZINC000022607205 178327736 /nfs/dbraw/zinc/32/77/36/178327736.db2.gz KJSNCESPMCJZIU-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN Cc1cc[nH]c1C(=O)N1CCC(CF)CC1 ZINC000295789390 178310738 /nfs/dbraw/zinc/31/07/38/178310738.db2.gz QURXDOYLMARLMP-UHFFFAOYSA-N 0 0 224.279 2.145 50 0 BEAARN Cc1ccc(-c2cn3nc(C)c(=O)[nH]c3n2)cc1 ZINC000005968878 178327771 /nfs/dbraw/zinc/32/77/71/178327771.db2.gz IHLFJJPIXMGJSL-UHFFFAOYSA-N 0 0 240.266 2.114 50 0 BEAARN Cc1ccc(-c2nc3c([nH]2)C(=O)NCCC3)s1 ZINC000095361143 178337225 /nfs/dbraw/zinc/33/72/25/178337225.db2.gz VMCFSKVTRWDYAM-UHFFFAOYSA-N 0 0 247.323 2.123 50 0 BEAARN CC(C)(C)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000025011342 538947005 /nfs/dbraw/zinc/94/70/05/538947005.db2.gz MTRDFXZOYQXVAQ-UHFFFAOYSA-N 0 0 244.298 2.252 50 0 BEAARN Cc1ccc(-n2cc[nH]c(=S)c2=O)cc1 ZINC000008804335 178346249 /nfs/dbraw/zinc/34/62/49/178346249.db2.gz XAANDACGWILISG-UHFFFAOYSA-N 0 0 218.281 2.204 50 0 BEAARN Cc1ccc(-n2cnc(Cl)c2CO)cc1 ZINC000069949517 178347136 /nfs/dbraw/zinc/34/71/36/178347136.db2.gz LSQAAYGRNOJOGX-UHFFFAOYSA-N 0 0 222.675 2.326 50 0 BEAARN Cc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000012409473 178356627 /nfs/dbraw/zinc/35/66/27/178356627.db2.gz VUXDSWRSGDQYRJ-RMKNXTFCSA-N 0 0 219.265 2.319 50 0 BEAARN Cc1ccc(=O)n(CCCc2ccccc2C)n1 ZINC000084647041 178361172 /nfs/dbraw/zinc/36/11/72/178361172.db2.gz XEWXKELBPSLCSV-UHFFFAOYSA-N 0 0 242.322 2.493 50 0 BEAARN Cc1ccc(=O)n(Cc2ccc3c(c2)CCC3)n1 ZINC000089610832 178361865 /nfs/dbraw/zinc/36/18/65/178361865.db2.gz RTMDMBDVSVHGBE-UHFFFAOYSA-N 0 0 240.306 2.089 50 0 BEAARN Cc1ccc(/C=C/C(=O)NCC(C)C)o1 ZINC000006278747 178353890 /nfs/dbraw/zinc/35/38/90/178353890.db2.gz KEKDOQVAOWTNKT-VOTSOKGWSA-N 0 0 207.273 2.373 50 0 BEAARN Cc1ccc(/C=C/C2=NNC(=O)CC2)cc1 ZINC000001387434 178354968 /nfs/dbraw/zinc/35/49/68/178354968.db2.gz JSRXRGNLTUGNFP-VOTSOKGWSA-N 0 0 214.268 2.274 50 0 BEAARN Cc1ccc(C(=O)Cn2ccsc2=N)cc1 ZINC000022018605 178375018 /nfs/dbraw/zinc/37/50/18/178375018.db2.gz PTZWXORODWEITB-UHFFFAOYSA-N 0 0 232.308 2.220 50 0 BEAARN Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cn1 ZINC000032907105 178380092 /nfs/dbraw/zinc/38/00/92/178380092.db2.gz ZDWIZXJCIOPRMN-JTQLQIEISA-N 0 0 218.300 2.261 50 0 BEAARN Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2O)cc1 ZINC000016648762 178380564 /nfs/dbraw/zinc/38/05/64/178380564.db2.gz HKYDNEFUCHUNAE-KBPBESRZSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)cn1 ZINC000032907106 178380691 /nfs/dbraw/zinc/38/06/91/178380691.db2.gz ZDWIZXJCIOPRMN-SNVBAGLBSA-N 0 0 218.300 2.261 50 0 BEAARN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000016602276 178398384 /nfs/dbraw/zinc/39/83/84/178398384.db2.gz DBWNIWNCLQCTLJ-RKDXNWHRSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1ccc(C(=O)NC2CCCCC2)cn1 ZINC000023390372 178402770 /nfs/dbraw/zinc/40/27/70/178402770.db2.gz SCIOWHBNHRBUBK-UHFFFAOYSA-N 0 0 218.300 2.453 50 0 BEAARN O=C(Nc1cc(F)c2[nH]c(=O)ccc2c1)C1CC1 ZINC000035514378 538957286 /nfs/dbraw/zinc/95/72/86/538957286.db2.gz IAANTBFXBWTPLN-UHFFFAOYSA-N 0 0 246.241 2.016 50 0 BEAARN Cc1cc(C(=O)NCc2cccc(F)c2)no1 ZINC000045362155 346850458 /nfs/dbraw/zinc/85/04/58/346850458.db2.gz HGESPZSEDNSGDE-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN Clc1ncnc2c1ncn2[C@H]1CCCCO1 ZINC000000074712 342672894 /nfs/dbraw/zinc/67/28/94/342672894.db2.gz QSTASPNCKDPSAH-SSDOTTSWSA-N 0 0 238.678 2.179 50 0 BEAARN C[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000078037 342673003 /nfs/dbraw/zinc/67/30/03/342673003.db2.gz ZJXPSNBSBSJSOE-RXMQYKEDSA-N 0 0 234.082 2.313 50 0 BEAARN Cc1ccc(N2C(=O)C=CC2=O)cc1Cl ZINC000000094135 342674005 /nfs/dbraw/zinc/67/40/05/342674005.db2.gz XZEWOPDHALLILR-UHFFFAOYSA-N 0 0 221.643 2.078 50 0 BEAARN CC1(C)C[C@](CC(N)=O)(c2ccccc2)CCO1 ZINC000000102343 342674384 /nfs/dbraw/zinc/67/43/84/342674384.db2.gz YZRKIWYGJDTNIJ-HNNXBMFYSA-N 0 0 247.338 2.389 50 0 BEAARN CCN(CC)C(=O)CSc1ccccc1N ZINC000000105542 342674791 /nfs/dbraw/zinc/67/47/91/342674791.db2.gz XJKAVVYJQWZJFD-UHFFFAOYSA-N 0 0 238.356 2.229 50 0 BEAARN O=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1 ZINC000000114916 342675038 /nfs/dbraw/zinc/67/50/38/342675038.db2.gz CZLKFADFZAWWBC-UHFFFAOYSA-N 0 0 242.061 2.249 50 0 BEAARN CCOc1ccc(C(=O)N2CCCC2)cc1 ZINC000000123297 342675694 /nfs/dbraw/zinc/67/56/94/342675694.db2.gz NNNYSOBABPYXSK-UHFFFAOYSA-N 0 0 219.284 2.321 50 0 BEAARN CN1C(=S)N=NC1CSc1ccccc1 ZINC000000126548 342676045 /nfs/dbraw/zinc/67/60/45/342676045.db2.gz VAAKURABAPVEEN-UHFFFAOYSA-N 0 0 237.353 2.396 50 0 BEAARN Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000000128305 342676127 /nfs/dbraw/zinc/67/61/27/342676127.db2.gz BVUCIDPYOGNAEQ-UHFFFAOYSA-N 0 0 240.306 2.241 50 0 biogenic BEAARN Nc1ccccc1C(=O)N1CCCCCC1 ZINC000000134187 342676435 /nfs/dbraw/zinc/67/64/35/342676435.db2.gz IYVSAXXHASZZBO-UHFFFAOYSA-N 0 0 218.300 2.285 50 0 BEAARN Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000000132599 342676479 /nfs/dbraw/zinc/67/64/79/342676479.db2.gz FXDMXJQMOVVRFM-UHFFFAOYSA-N 0 0 245.307 2.277 50 0 BEAARN CC(C)c1ccc(NCN2C(=O)CCC2=O)cc1 ZINC000000138602 342676751 /nfs/dbraw/zinc/67/67/51/342676751.db2.gz SNKFHDDGOIMJHZ-UHFFFAOYSA-N 0 0 246.310 2.328 50 0 BEAARN COC(=O)CCC(=O)Nc1cc(C)ccc1C ZINC000000143394 342677052 /nfs/dbraw/zinc/67/70/52/342677052.db2.gz VKDSCVMZULZEKS-UHFFFAOYSA-N 0 0 235.283 2.195 50 0 BEAARN CC(=O)Nc1c(F)cc(N)cc1Cl ZINC000000152768 342677439 /nfs/dbraw/zinc/67/74/39/342677439.db2.gz BRBJEVPAGDWZTL-UHFFFAOYSA-N 0 0 202.616 2.020 50 0 BEAARN Nc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000000153720 342677463 /nfs/dbraw/zinc/67/74/63/342677463.db2.gz JYDVTSQQZMZVDH-UHFFFAOYSA-N 0 0 217.297 2.238 50 0 BEAARN CC(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000000152530 342677474 /nfs/dbraw/zinc/67/74/74/342677474.db2.gz YBCKBOPAWVBWJH-UHFFFAOYSA-N 0 0 218.178 2.246 50 0 BEAARN Cc1cc(C(=O)N(C)C2CCCCC2)no1 ZINC000000155772 342677759 /nfs/dbraw/zinc/67/77/59/342677759.db2.gz LVFOAWVOZPHELK-UHFFFAOYSA-N 0 0 222.288 2.388 50 0 BEAARN O=C(OCc1ccccc1)N1CCC(CO)CC1 ZINC000000158642 342678030 /nfs/dbraw/zinc/67/80/30/342678030.db2.gz LINIORCIRVAZSM-UHFFFAOYSA-N 0 0 249.310 2.028 50 0 BEAARN CC(C)(C)NC(=O)c1cc2ccccc2oc1=O ZINC000000166967 342678635 /nfs/dbraw/zinc/67/86/35/342678635.db2.gz WJVGPUXVQPSDBJ-UHFFFAOYSA-N 0 0 245.278 2.321 50 0 BEAARN CC(C)c1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000000170067 342678895 /nfs/dbraw/zinc/67/88/95/342678895.db2.gz XRDCVKSGZNDEDT-NSHDSACASA-N 0 0 207.273 2.285 50 0 biogenic BEAARN Cc1ccc2[nH]c3c(c2c1)CN(C)CC3 ZINC000000175204 342679151 /nfs/dbraw/zinc/67/91/51/342679151.db2.gz MUZFLDUALLSEBH-UHFFFAOYSA-N 0 0 200.285 2.464 50 0 biogenic BEAARN COC(=O)C1CC(OCc2ccccc2)C1 ZINC000000184831 342679492 /nfs/dbraw/zinc/67/94/92/342679492.db2.gz COSCRJLYEZUUMW-UHFFFAOYSA-N 0 0 220.268 2.155 50 0 BEAARN Cc1cc(C)n(C(=O)COc2ccc(F)cc2)n1 ZINC000000201100 342680041 /nfs/dbraw/zinc/68/00/41/342680041.db2.gz UVZWJACBNZFITN-UHFFFAOYSA-N 0 0 248.257 2.358 50 0 BEAARN Nc1ccc(N)c(NC(=O)c2ccccc2)c1 ZINC000000225930 342680553 /nfs/dbraw/zinc/68/05/53/342680553.db2.gz NEWHXFGKXVCSRP-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN O=S(=O)(c1ccc(Cl)cc1)N1CCCC1 ZINC000000291913 342682361 /nfs/dbraw/zinc/68/23/61/342682361.db2.gz FXKRATLJGPAUHB-UHFFFAOYSA-N 0 0 245.731 2.125 50 0 BEAARN Nc1ccc(-c2nnc(-c3ccncc3)o2)cc1 ZINC000000296106 342682615 /nfs/dbraw/zinc/68/26/15/342682615.db2.gz VQSLWUCJPFTYEE-UHFFFAOYSA-N 0 0 238.250 2.381 50 0 BEAARN Cc1cc(C)n(C(=O)Cc2cccs2)n1 ZINC000000309765 342682835 /nfs/dbraw/zinc/68/28/35/342682835.db2.gz AYSUIHZGDHTUBX-UHFFFAOYSA-N 0 0 220.297 2.444 50 0 BEAARN C[C@@H](Cc1ccccc1)NC(=O)c1ccncc1 ZINC000000329715 342683419 /nfs/dbraw/zinc/68/34/19/342683419.db2.gz NABUKNINVWXMID-LBPRGKRZSA-N 0 0 240.306 2.443 50 0 BEAARN Cc1ccc(NC=O)c(Br)c1 ZINC000000335118 342683809 /nfs/dbraw/zinc/68/38/09/342683809.db2.gz ZOAPATFIPBXQJA-UHFFFAOYSA-N 0 0 214.062 2.326 50 0 BEAARN CCC[C@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345807 342684262 /nfs/dbraw/zinc/68/42/62/342684262.db2.gz CUTUPAFHGKKFBU-RYUDHWBXSA-N 0 0 247.294 2.357 50 0 BEAARN CC1(C)O[C@@H]2Cc3ccccc3C[C@H]2O1 ZINC000000345582 342684451 /nfs/dbraw/zinc/68/44/51/342684451.db2.gz BVOIEXZNCZPVRO-VXGBXAGGSA-N 0 0 204.269 2.305 50 0 BEAARN CN1c2ccccc2[C@H](O)c2ccccc2C1=O ZINC000000347000 342684467 /nfs/dbraw/zinc/68/44/67/342684467.db2.gz IGNMTKJSFDKQLE-CQSZACIVSA-N 0 0 239.274 2.358 50 0 BEAARN O=C(NCC(=O)c1ccc(F)cc1)c1ccco1 ZINC000000355461 342684670 /nfs/dbraw/zinc/68/46/70/342684670.db2.gz YSCFPOFJQDRMAC-UHFFFAOYSA-N 0 0 247.225 2.031 50 0 BEAARN Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000362891 342684940 /nfs/dbraw/zinc/68/49/40/342684940.db2.gz ZWMQLNXGNSNUEO-UHFFFAOYSA-N 0 0 226.279 2.199 50 0 BEAARN O=S(=O)(Nc1cccc(O)c1)c1ccccc1 ZINC000000363572 342685181 /nfs/dbraw/zinc/68/51/81/342685181.db2.gz JKQZPAGBJKFTQC-UHFFFAOYSA-N 0 0 249.291 2.193 50 0 BEAARN Cc1ccc(CNc2ncnc3nc[nH]c32)cc1 ZINC000000385656 342685683 /nfs/dbraw/zinc/68/56/83/342685683.db2.gz KOGDZGJILJKQJY-UHFFFAOYSA-N 0 0 239.282 2.273 50 0 BEAARN Cc1cc(C)cc(NC(=O)N2CCOCC2)c1 ZINC000000397097 342686265 /nfs/dbraw/zinc/68/62/65/342686265.db2.gz YNXNBLYVLWNGSX-UHFFFAOYSA-N 0 0 234.299 2.168 50 0 BEAARN CCOc1ccccc1NC(=O)NC1CC1 ZINC000000397679 342686425 /nfs/dbraw/zinc/68/64/25/342686425.db2.gz LENZEBSDMMJQMR-UHFFFAOYSA-N 0 0 220.272 2.369 50 0 BEAARN O=C(c1nncn1-c1ccccc1)c1ccccc1 ZINC000000401332 342686474 /nfs/dbraw/zinc/68/64/74/342686474.db2.gz CCONWULFHOOWBR-UHFFFAOYSA-N 0 0 249.273 2.498 50 0 BEAARN Cc1ccc(CC(=O)NCc2ccncc2)cc1 ZINC000000465771 342688020 /nfs/dbraw/zinc/68/80/20/342688020.db2.gz XURMLCNCFCIZDH-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN CSc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000000480043 342688496 /nfs/dbraw/zinc/68/84/96/342688496.db2.gz QPKFZYCUJGIWAW-UHFFFAOYSA-N 0 0 226.326 2.323 50 0 BEAARN CC(C)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000000478029 342688596 /nfs/dbraw/zinc/68/85/96/342688596.db2.gz JKJIOHUGIRPYNF-UHFFFAOYSA-N 0 0 227.333 2.430 50 0 BEAARN Cc1cc(C)n(C(=O)c2ccc(F)cc2)n1 ZINC000000052767 342671607 /nfs/dbraw/zinc/67/16/07/342671607.db2.gz GNBRBWAIBHANHJ-UHFFFAOYSA-N 0 0 218.231 2.328 50 0 BEAARN Cc1ccc2c(c1)Nc1nc3nonc3nc1N2 ZINC000000058460 342672106 /nfs/dbraw/zinc/67/21/06/342672106.db2.gz OCCMHQGQMJOFCS-UHFFFAOYSA-N 0 0 240.226 2.122 50 0 BEAARN Cc1ccc(NC(=O)c2ccccc2O)nc1 ZINC000000071573 342672655 /nfs/dbraw/zinc/67/26/55/342672655.db2.gz ZNDOZAAGAZOZKW-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN CC(C)c1ccc(CNn2cnnc2)cc1 ZINC000000576526 342690760 /nfs/dbraw/zinc/69/07/60/342690760.db2.gz LPLBNQWPHSMLQO-UHFFFAOYSA-N 0 0 216.288 2.145 50 0 BEAARN CCOc1ccc(/C=C\[N+](=O)[O-])cc1OC ZINC000034887880 342692480 /nfs/dbraw/zinc/69/24/80/342692480.db2.gz OHUVDXRCVIKNNH-SREVYHEPSA-N 0 0 223.228 2.341 50 0 BEAARN C[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000000860056 342693862 /nfs/dbraw/zinc/69/38/62/342693862.db2.gz QJWRRTGGLJRYAZ-JSGCOSHPSA-N 0 0 247.338 2.475 50 0 BEAARN C[C@H](NC(=O)C1CCC1)c1ccc2c(c1)OCO2 ZINC000001053938 342696409 /nfs/dbraw/zinc/69/64/09/342696409.db2.gz KQJBHHRFDUYORI-VIFPVBQESA-N 0 0 247.294 2.393 50 0 BEAARN CCCC(=O)Nc1nnc(C2CC2)s1 ZINC000001053651 342696481 /nfs/dbraw/zinc/69/64/81/342696481.db2.gz YXFJHIVHGGLHMT-UHFFFAOYSA-N 0 0 211.290 2.154 50 0 BEAARN COc1ccc([C@@H](C)NC(=O)C2CC2)cc1OC ZINC000001184124 342698088 /nfs/dbraw/zinc/69/80/88/342698088.db2.gz OOUPZMSYKBUMJA-SECBINFHSA-N 0 0 249.310 2.291 50 0 BEAARN O=c1c2sccc2ncn1Nc1ccccc1 ZINC000001390841 342699731 /nfs/dbraw/zinc/69/97/31/342699731.db2.gz VPOMTBPOYDOJCH-UHFFFAOYSA-N 0 0 243.291 2.333 50 0 BEAARN Clc1ncnc2c1cnn2-c1ccccc1 ZINC000001576822 342704110 /nfs/dbraw/zinc/70/41/10/342704110.db2.gz DEUTZSDRCGEUBP-UHFFFAOYSA-N 0 0 230.658 2.469 50 0 BEAARN Nc1cc(Cl)cc(Br)c1N ZINC000001605122 342705431 /nfs/dbraw/zinc/70/54/31/342705431.db2.gz CHFHJBJOPRLHCG-UHFFFAOYSA-N 0 0 221.485 2.267 50 0 BEAARN Nc1c(Cl)nc(C(F)(F)F)nc1Cl ZINC000001686743 342709326 /nfs/dbraw/zinc/70/93/26/342709326.db2.gz SCCIDUDZOMNNFU-UHFFFAOYSA-N 0 0 231.992 2.384 50 0 BEAARN Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC000001769621 342712552 /nfs/dbraw/zinc/71/25/52/342712552.db2.gz WPEJJLBDMKBGII-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1ccccc1C(F)(F)F ZINC000002385883 342719649 /nfs/dbraw/zinc/71/96/49/342719649.db2.gz VPYQIUMVXMMGSD-MRVPVSSYSA-N 0 0 247.216 2.050 50 0 BEAARN CC(C)C(=O)OCC(C)(C)[C@H](O)C(C)C ZINC000002041275 342715099 /nfs/dbraw/zinc/71/50/99/342715099.db2.gz DAFHKNAQFPVRKR-SNVBAGLBSA-N 0 0 216.321 2.229 50 0 BEAARN CCCn1c2ccccc2nc1CCCO ZINC000002087831 342715861 /nfs/dbraw/zinc/71/58/61/342715861.db2.gz ZIEKLCSJJXCRJA-UHFFFAOYSA-N 0 0 218.300 2.371 50 0 BEAARN CC(C)C(=O)NC(=S)N1CCc2ccccc21 ZINC000002137047 342716128 /nfs/dbraw/zinc/71/61/28/342716128.db2.gz GVDKBXHEOHGAOA-UHFFFAOYSA-N 0 0 248.351 2.106 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])Cc1cccc2ccccc21 ZINC000002385961 342719809 /nfs/dbraw/zinc/71/98/09/342719809.db2.gz VEJIDCKYNSOIIN-LBPRGKRZSA-N 0 0 229.279 2.184 50 0 BEAARN COc1cc(C=O)cc(OC)c1Br ZINC000002390004 342719874 /nfs/dbraw/zinc/71/98/74/342719874.db2.gz UGBJRYUNSXFPOX-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 in-vitro BEAARN Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000004006344 342740890 /nfs/dbraw/zinc/74/08/90/342740890.db2.gz OVXJUMSOFFSJAK-UHFFFAOYSA-N 0 0 243.291 2.126 50 0 BEAARN O=C1NC2(CCCCC2)N=C1c1ccc(F)cc1 ZINC000004077873 342741890 /nfs/dbraw/zinc/74/18/90/342741890.db2.gz MINSANSNCSFRBU-UHFFFAOYSA-N 0 0 246.285 2.405 50 0 BEAARN CC(C)(C)OC(=O)c1n[nH]c2nc(F)ccc21 ZINC000004200698 342743821 /nfs/dbraw/zinc/74/38/21/342743821.db2.gz INGAFDNQIOIZHC-UHFFFAOYSA-N 0 0 237.234 2.052 50 0 BEAARN [NH3+][C@@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000004204156 342743960 /nfs/dbraw/zinc/74/39/60/342743960.db2.gz PECGVEGMRUZOML-CQSZACIVSA-N 0 0 241.290 2.230 50 0 in-vitro BEAARN NN=c1[nH]c(-c2ccc(F)cc2)cs1 ZINC000004294052 342746194 /nfs/dbraw/zinc/74/61/94/342746194.db2.gz SEULEDUVYOUXCQ-UHFFFAOYSA-N 0 0 209.249 2.235 50 0 BEAARN Clc1ccc(OCCOC[C@H]2CO2)cc1 ZINC000002454843 342720829 /nfs/dbraw/zinc/72/08/29/342720829.db2.gz OJQIRZPGAUHQII-NSHDSACASA-N 0 0 228.675 2.134 50 0 BEAARN Nc1nc(CCOc2ccc(F)cc2)cs1 ZINC000002455989 342721077 /nfs/dbraw/zinc/72/10/77/342721077.db2.gz TWNHPZYHAHMIPB-UHFFFAOYSA-N 0 0 238.287 2.486 50 0 BEAARN Nc1cc(F)c(F)cc1Br ZINC000002526707 342722626 /nfs/dbraw/zinc/72/26/26/342722626.db2.gz BUTIDJREEDINSI-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN CN(C)c1ccc(-c2n[nH]c(=S)n2C)cc1 ZINC000002526676 342722671 /nfs/dbraw/zinc/72/26/71/342722671.db2.gz ROIBCPQYBHZTGE-UHFFFAOYSA-N 0 0 234.328 2.211 50 0 BEAARN [NH3+][C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000002533947 342723149 /nfs/dbraw/zinc/72/31/49/342723149.db2.gz BIILIFHAKJGBSB-SSDOTTSWSA-N 0 0 220.055 2.078 50 0 biogenic BEAARN Nc1cnn(COc2ccc(F)cc2Cl)c1 ZINC000002535019 342723152 /nfs/dbraw/zinc/72/31/52/342723152.db2.gz AFWNJXLBKRTXMS-UHFFFAOYSA-N 0 0 241.653 2.294 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000002538882 342723427 /nfs/dbraw/zinc/72/34/27/342723427.db2.gz QBEDEVJXKRAWAC-LLVKDONJSA-N 0 0 237.274 2.122 50 0 BEAARN Cc1c[nH]c([C@H](C)NC(=O)OC(C)(C)C)n1 ZINC000002559469 342723983 /nfs/dbraw/zinc/72/39/83/342723983.db2.gz NBWALRILKODKTK-QMMMGPOBSA-N 0 0 225.292 2.304 50 0 BEAARN Clc1cccc(Cl)c1Cc1nn[nH]n1 ZINC000002569634 342724874 /nfs/dbraw/zinc/72/48/74/342724874.db2.gz NDMAQUNWOYUOGS-UHFFFAOYSA-N 0 0 229.070 2.097 50 0 BEAARN CC(C)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000002697299 342726520 /nfs/dbraw/zinc/72/65/20/342726520.db2.gz YUBZHVRKTFITEW-UHFFFAOYSA-N 0 0 245.326 2.268 50 0 BEAARN Cc1ccc(NC(=O)C(=O)NCC(C)C)c(C)c1 ZINC000002943377 342728559 /nfs/dbraw/zinc/72/85/59/342728559.db2.gz WJWDBINPAKERCP-UHFFFAOYSA-N 0 0 248.326 2.014 50 0 BEAARN O=[P@@]1(Oc2ccccc2)NCCCO1 ZINC000003105883 342730228 /nfs/dbraw/zinc/73/02/28/342730228.db2.gz YZJWXUWNAHCIOB-AWEZNQCLSA-N 0 0 213.173 2.183 50 0 BEAARN CC(=O)c1c(C)nc(C)c(C(C)=O)c1C ZINC000034770795 342730918 /nfs/dbraw/zinc/73/09/18/342730918.db2.gz UHOZWAIMMCYWGG-UHFFFAOYSA-N 0 0 205.257 2.412 50 0 BEAARN O=C([O-])[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000003749333 342737430 /nfs/dbraw/zinc/73/74/30/342737430.db2.gz VWUDHUJSDJLKJL-NSHDSACASA-N 0 0 237.274 2.122 50 0 BEAARN CC(C)CN(CC(C)C)c1nnc(N)s1 ZINC000003913692 342739777 /nfs/dbraw/zinc/73/97/77/342739777.db2.gz QHTQPSOKQSRHJT-UHFFFAOYSA-N 0 0 228.365 2.239 50 0 aggregator BEAARN C[C@@]12CCCC[C@@]13NC(=O)CN3c1ccccc12 ZINC000003999025 342740323 /nfs/dbraw/zinc/74/03/23/342740323.db2.gz BNTKETXJVKCBBV-GJZGRUSLSA-N 0 0 242.322 2.164 50 0 biogenic BEAARN COc1cc(C)c(-n2cnnn2)cc1C(C)C ZINC000004753545 342751866 /nfs/dbraw/zinc/75/18/66/342751866.db2.gz MTGPGGVIPPZHSR-UHFFFAOYSA-N 0 0 232.287 2.103 50 0 BEAARN C/C(=C\c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000004949512 342755044 /nfs/dbraw/zinc/75/50/44/342755044.db2.gz PXLOXBQOWXFAMJ-IEZBTEQYSA-N 0 0 245.322 2.385 50 0 BEAARN Cc1nc(C(=O)OC[C@@H]2C[C@@H]2C)cs1 ZINC000170621289 361891903 /nfs/dbraw/zinc/89/19/03/361891903.db2.gz IUMXXYSIBNTITD-XPUUQOCRSA-N 0 0 211.286 2.264 50 0 BEAARN Nc1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000005338055 342762217 /nfs/dbraw/zinc/76/22/17/342762217.db2.gz CBJLNMIJFXDPRU-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN Cc1ccc(Cl)c(OCC(=O)NC2CC2)c1 ZINC000005342533 342762343 /nfs/dbraw/zinc/76/23/43/342762343.db2.gz XYACBYZFLPOJAK-UHFFFAOYSA-N 0 0 239.702 2.306 50 0 BEAARN CCS(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000005392653 342763086 /nfs/dbraw/zinc/76/30/86/342763086.db2.gz CQMFTXJWCBTZRE-UHFFFAOYSA-N 0 0 213.302 2.065 50 0 BEAARN CC(=O)NCCOc1ccc2ccccc2c1 ZINC000005495333 342764880 /nfs/dbraw/zinc/76/48/80/342764880.db2.gz SCXPXWQNSNWITP-UHFFFAOYSA-N 0 0 229.279 2.355 50 0 BEAARN COC(=O)CSCCC(F)=C(F)F ZINC000005526163 342765427 /nfs/dbraw/zinc/76/54/27/342765427.db2.gz LWQGEVKQLPAPOC-UHFFFAOYSA-N 0 0 214.208 2.360 50 0 BEAARN CC[C@@H](C)C(=O)Nc1nc(C)cc(C)n1 ZINC000005593258 342766768 /nfs/dbraw/zinc/76/67/68/342766768.db2.gz HXGZGRXLJLWUTE-SSDOTTSWSA-N 0 0 207.277 2.078 50 0 BEAARN CC[C@@H](C(=O)NCCCOC)c1ccccc1 ZINC000005666255 342768124 /nfs/dbraw/zinc/76/81/24/342768124.db2.gz HRHHZHKPIAXBNU-CYBMUJFWSA-N 0 0 235.327 2.333 50 0 BEAARN CC[C@@H](C)OC(=O)CCC(=O)O[C@H](C)CC ZINC000005922355 342771662 /nfs/dbraw/zinc/77/16/62/342771662.db2.gz PJZURRKQOJYGAU-NXEZZACHSA-N 0 0 230.304 2.450 50 0 BEAARN Nc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000005943882 342771741 /nfs/dbraw/zinc/77/17/41/342771741.db2.gz QJMITVPZPBGSTE-UHFFFAOYSA-N 0 0 229.070 2.361 50 0 BEAARN Brc1ncccc1O[C@@H]1CCOC1 ZINC000083454462 398282296 /nfs/dbraw/zinc/28/22/96/398282296.db2.gz NEGUYDTYMGKHMB-SSDOTTSWSA-N 0 0 244.088 2.012 50 0 BEAARN CC(C)(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000006086687 342773511 /nfs/dbraw/zinc/77/35/11/342773511.db2.gz PNVXNUQHPWYSKH-UHFFFAOYSA-N 0 0 244.294 2.012 50 0 BEAARN C[C@@H](OC(=O)c1cccn1C)c1ccccn1 ZINC000071905065 342774012 /nfs/dbraw/zinc/77/40/12/342774012.db2.gz JVXZTABVBSUIKS-SNVBAGLBSA-N 0 0 230.267 2.338 50 0 BEAARN CCCn1nnnc1NCc1ccc(C)s1 ZINC000006139064 342774548 /nfs/dbraw/zinc/77/45/48/342774548.db2.gz AGTQUOMDQAVWRG-UHFFFAOYSA-N 0 0 237.332 2.065 50 0 BEAARN Cc1ccsc1C=C1SC(=O)NC1=O ZINC000004696393 342750617 /nfs/dbraw/zinc/75/06/17/342750617.db2.gz AWCNNXMPSCQUMK-DAXSKMNVSA-N 0 0 225.294 2.380 50 0 BEAARN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)C1 ZINC000004724108 342751218 /nfs/dbraw/zinc/75/12/18/342751218.db2.gz HPDZFGAXEGLKKS-UHFFFAOYSA-N 0 0 249.241 2.009 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)C(C)(C)C)no1 ZINC000004749191 342751408 /nfs/dbraw/zinc/75/14/08/342751408.db2.gz MIJQBPTWDSKLNG-QMMMGPOBSA-N 0 0 210.277 2.147 50 0 BEAARN CC[C@H](Oc1ccc(C)cc1)C(=O)NC1CC1 ZINC000008558621 342800576 /nfs/dbraw/zinc/80/05/76/342800576.db2.gz DGFBEVWOCAGWCZ-ZDUSSCGKSA-N 0 0 233.311 2.431 50 0 BEAARN O=c1cc(Cc2ccccc2)[nH]c(=S)[nH]1 ZINC000008580452 342800983 /nfs/dbraw/zinc/80/09/83/342800983.db2.gz PNXBXCRWXNESOV-UHFFFAOYSA-N 0 0 218.281 2.023 50 0 BEAARN O=C([O-])[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000008699022 342802184 /nfs/dbraw/zinc/80/21/84/342802184.db2.gz PQBVXGNUOLWTCK-LBPRGKRZSA-N 0 0 237.274 2.437 50 0 BEAARN CONC(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000071909179 342778947 /nfs/dbraw/zinc/77/89/47/342778947.db2.gz YJJKEYWOCMMEGS-NXEZZACHSA-N 0 0 214.309 2.063 50 0 BEAARN CCOc1ccc(-c2n[nH]cc2C=O)cc1F ZINC000006658174 342780274 /nfs/dbraw/zinc/78/02/74/342780274.db2.gz ZSSGTYSQPWHWHL-UHFFFAOYSA-N 0 0 234.230 2.427 50 0 BEAARN C[C@@H](Cc1n[nH]c(=S)n1N)c1ccccc1 ZINC000006680051 342780932 /nfs/dbraw/zinc/78/09/32/342780932.db2.gz PEJAZZXFIYYNIB-QMMMGPOBSA-N 0 0 234.328 2.001 50 0 BEAARN O=c1[nH]nc(-c2ccccc2)c2c1CCCC2 ZINC000006702922 342781110 /nfs/dbraw/zinc/78/11/10/342781110.db2.gz HGXKVNRBKJMVLX-UHFFFAOYSA-N 0 0 226.279 2.316 50 0 BEAARN CCn1ccc(C(=O)Nc2cccc(F)c2)n1 ZINC000006726121 342781336 /nfs/dbraw/zinc/78/13/36/342781336.db2.gz OOMYLCOVEMFJLY-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN CCCCS(=O)(=O)Nc1ccc(Cl)cn1 ZINC000006706579 342781428 /nfs/dbraw/zinc/78/14/28/342781428.db2.gz FXYJQARFHTYTKO-UHFFFAOYSA-N 0 0 248.735 2.277 50 0 BEAARN CCCCS(=O)(=O)Nc1ccc(F)cc1 ZINC000006741010 342782004 /nfs/dbraw/zinc/78/20/04/342782004.db2.gz WXILXBBDDRFVGR-UHFFFAOYSA-N 0 0 231.292 2.368 50 0 BEAARN CCCc1nnc(NC(=O)c2ccncc2)s1 ZINC000006783548 342783071 /nfs/dbraw/zinc/78/30/71/342783071.db2.gz BFCHCAVXVRRZOU-UHFFFAOYSA-N 0 0 248.311 2.138 50 0 BEAARN Cc1c(C(=O)NC(C)C)cnn1-c1ccccc1 ZINC000006800983 342783491 /nfs/dbraw/zinc/78/34/91/342783491.db2.gz GMWIWQTVXYQWHS-UHFFFAOYSA-N 0 0 243.310 2.319 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000007307822 342790703 /nfs/dbraw/zinc/79/07/03/342790703.db2.gz BTVSCCOSHOIOFX-LLVKDONJSA-N 0 0 241.356 2.380 50 0 BEAARN CCCn1cc(N[C@@H](C)c2nnc(C)o2)cn1 ZINC000097377304 342792426 /nfs/dbraw/zinc/79/24/26/342792426.db2.gz REUNMFASQDHZHD-QMMMGPOBSA-N 0 0 235.291 2.158 50 0 BEAARN CCCC(=O)NCc1cn2cccc(C)c2n1 ZINC000002960784 342796387 /nfs/dbraw/zinc/79/63/87/342796387.db2.gz GTVXUICLQGUXDY-UHFFFAOYSA-N 0 0 231.299 2.059 50 0 BEAARN O=C(CSC(F)(F)F)N1CCCCC1 ZINC000048072662 342797447 /nfs/dbraw/zinc/79/74/47/342797447.db2.gz UIFSUMKVMJYOLM-UHFFFAOYSA-N 0 0 227.251 2.252 50 0 BEAARN CCc1ccc(C(=O)NCCCOC)cc1 ZINC000008383031 342798971 /nfs/dbraw/zinc/79/89/71/342798971.db2.gz FNANRDPFFFFYQQ-UHFFFAOYSA-N 0 0 221.300 2.015 50 0 BEAARN CCN(CC)C(=O)c1ccc(Cl)c(N)c1 ZINC000009304513 342812280 /nfs/dbraw/zinc/81/22/80/342812280.db2.gz UEVFJJAHTBFKAO-UHFFFAOYSA-N 0 0 226.707 2.404 50 0 BEAARN Cn1ccnc1[C@@H](N)c1cccc(Cl)c1 ZINC000011735199 342842982 /nfs/dbraw/zinc/84/29/82/342842982.db2.gz JEEXKQBWDDVXNT-JTQLQIEISA-N 0 0 221.691 2.122 50 0 BEAARN O=C([O-])c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000011892751 342844330 /nfs/dbraw/zinc/84/43/30/342844330.db2.gz NYOVKCSFMUODAF-UHFFFAOYSA-N 0 0 249.310 2.250 50 0 BEAARN CCOc1ncccc1Br ZINC000012359461 342849766 /nfs/dbraw/zinc/84/97/66/342849766.db2.gz KLQBFCAXXZMOLZ-UHFFFAOYSA-N 0 0 202.051 2.243 50 0 BEAARN CC(C)(C)OC(=O)NCC(=O)c1ccccc1 ZINC000012357073 342849888 /nfs/dbraw/zinc/84/98/88/342849888.db2.gz ODIKTWMCZYPCKQ-UHFFFAOYSA-N 0 0 235.283 2.394 50 0 BEAARN Cc1cc(C)n(-c2ccc(C=O)cc2)n1 ZINC000012370826 342850377 /nfs/dbraw/zinc/85/03/77/342850377.db2.gz XSNMWJQOHKWNKY-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN Cc1cnn(-c2ccc(Cl)cc2N)c1 ZINC000012397687 342851254 /nfs/dbraw/zinc/85/12/54/342851254.db2.gz IKSRYBHOJDVLQI-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN Clc1ccc2ncc(Br)n2n1 ZINC000012471809 342852354 /nfs/dbraw/zinc/85/23/54/342852354.db2.gz PFHPKMPWBFJZEY-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN CCCN(C)C(=O)N[C@H](C)COCC(C)C ZINC000071924651 342856057 /nfs/dbraw/zinc/85/60/57/342856057.db2.gz OKQLNUPRSBZSRG-LLVKDONJSA-N 0 0 230.352 2.099 50 0 BEAARN CCc1ccc(-n2nnc(C(C)=O)c2C)cc1 ZINC000011888180 342843954 /nfs/dbraw/zinc/84/39/54/342843954.db2.gz KANSCROKQWCADX-UHFFFAOYSA-N 0 0 229.283 2.341 50 0 BEAARN CNC(=O)c1ccccc1NC(=O)CC(C)(C)C ZINC000012925443 342861083 /nfs/dbraw/zinc/86/10/83/342861083.db2.gz IQNMBUKGUFSPPK-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN Cc1ccc(SCC(=O)N(C)C)cc1C ZINC000012926128 342861112 /nfs/dbraw/zinc/86/11/12/342861112.db2.gz APMDDOFAUZCDLM-UHFFFAOYSA-N 0 0 223.341 2.484 50 0 BEAARN Cn1cccc1C(=O)NCCc1ccccc1F ZINC000032676232 342861145 /nfs/dbraw/zinc/86/11/45/342861145.db2.gz PSECODFFNZSJQY-UHFFFAOYSA-N 0 0 246.285 2.137 50 0 BEAARN CC(C)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012976157 342862129 /nfs/dbraw/zinc/86/21/29/342862129.db2.gz HGJPEYBZGIMLCD-FOSCPWQOSA-N 0 0 237.343 2.154 50 0 BEAARN CCOCc1nc(C)n(-c2ccccc2OC)n1 ZINC000091986606 398304667 /nfs/dbraw/zinc/30/46/67/398304667.db2.gz UJLPGPPHGSNTBX-UHFFFAOYSA-N 0 0 247.298 2.121 50 0 BEAARN CCOc1ccc(C(=O)NC2CC2)cc1C ZINC000013582209 342867905 /nfs/dbraw/zinc/86/79/05/342867905.db2.gz WQYCQSMZTXSTMG-UHFFFAOYSA-N 0 0 219.284 2.286 50 0 BEAARN Cc1ccc(Cc2c(O)[nH]c(=S)[nH]c2=O)cc1 ZINC000013957350 342874959 /nfs/dbraw/zinc/87/49/59/342874959.db2.gz XVWPHZIYGPVPFQ-UHFFFAOYSA-N 0 0 248.307 2.037 50 0 BEAARN CON(C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000032779839 342875148 /nfs/dbraw/zinc/87/51/48/342875148.db2.gz GLBJLWSUWLKIHN-UHFFFAOYSA-N 0 0 232.283 2.418 50 0 BEAARN C[C@@H](CO)Nc1ncnc2c3ccccc3oc21 ZINC000032809700 342878294 /nfs/dbraw/zinc/87/82/94/342878294.db2.gz YDRQWQWOOYKRQR-QMMMGPOBSA-N 0 0 243.266 2.169 50 0 BEAARN Cc1ccc(NCCc2ccccc2)nn1 ZINC000032624603 342857115 /nfs/dbraw/zinc/85/71/15/342857115.db2.gz YCWHFECPGMBKFH-UHFFFAOYSA-N 0 0 213.284 2.440 50 0 BEAARN CSc1nnc2ccc(-c3ccco3)nn21 ZINC000004376747 342858610 /nfs/dbraw/zinc/85/86/10/342858610.db2.gz JAOYWZRZXLPDIR-UHFFFAOYSA-N 0 0 232.268 2.106 50 0 BEAARN CONC(=O)c1cc(Cl)ccc1Cl ZINC000012823212 342859058 /nfs/dbraw/zinc/85/90/58/342859058.db2.gz YGKPJQAYKBAHED-UHFFFAOYSA-N 0 0 220.055 2.285 50 0 BEAARN Cc1ccc(C(N)=O)cc1NCC(C)C ZINC000083344699 178457756 /nfs/dbraw/zinc/45/77/56/178457756.db2.gz DXSLGISFHRIZEP-UHFFFAOYSA-N 0 0 206.289 2.162 50 0 BEAARN CC(C)c1ccc(-c2nnc(N)o2)cc1 ZINC000015423318 342896003 /nfs/dbraw/zinc/89/60/03/342896003.db2.gz JRWCCUFACVZBSS-UHFFFAOYSA-N 0 0 203.245 2.442 50 0 BEAARN Nc1nc2c(s1)c(F)c(F)cc2F ZINC000015442800 342896259 /nfs/dbraw/zinc/89/62/59/342896259.db2.gz MDXPZGBVQCYUTM-UHFFFAOYSA-N 0 0 204.176 2.296 50 0 BEAARN Cn1ccnc1CNC1(c2ccccc2)CC1 ZINC000096403852 398317451 /nfs/dbraw/zinc/31/74/51/398317451.db2.gz CKXUDORPRDOOOU-UHFFFAOYSA-N 0 0 227.311 2.199 50 0 BEAARN CCS(=O)(=O)c1ccc(Br)cc1 ZINC000015443334 342896342 /nfs/dbraw/zinc/89/63/42/342896342.db2.gz UGLVDQBMOMYGJF-UHFFFAOYSA-N 0 0 249.129 2.243 50 0 BEAARN CONC(=O)c1ccc2c3c(cccc31)CC2 ZINC000032848466 342883511 /nfs/dbraw/zinc/88/35/11/342883511.db2.gz PMJGSKAKFFIQGV-UHFFFAOYSA-N 0 0 227.263 2.230 50 0 BEAARN Cc1cc(F)ccc1OC(=O)c1cc[nH]n1 ZINC000165207936 342883572 /nfs/dbraw/zinc/88/35/72/342883572.db2.gz QQJJYZBRXOHGPT-UHFFFAOYSA-N 0 0 220.203 2.076 50 0 BEAARN Cc1ccc(C(N)=O)cc1C(F)(F)F ZINC000002382165 178458702 /nfs/dbraw/zinc/45/87/02/178458702.db2.gz IELCRNVRCVJVGU-UHFFFAOYSA-N 0 0 203.163 2.113 50 0 BEAARN COC[C@H](C)Nc1nc2ccccc2o1 ZINC000032905345 342900659 /nfs/dbraw/zinc/90/06/59/342900659.db2.gz SSWPEWAZLVQXLH-QMMMGPOBSA-N 0 0 206.245 2.275 50 0 BEAARN CCCCCNc1cc(COC)ncn1 ZINC000309180765 342903354 /nfs/dbraw/zinc/90/33/54/342903354.db2.gz NSXFKPZFEUUWIA-UHFFFAOYSA-N 0 0 209.293 2.225 50 0 BEAARN O=C(OCc1ccccc1)N1CCCC[C@@H]1CO ZINC000016697418 342914330 /nfs/dbraw/zinc/91/43/30/342914330.db2.gz UDGDHNGWPNSYCD-CYBMUJFWSA-N 0 0 249.310 2.170 50 0 in-vitro BEAARN C[NH+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000016873051 342916344 /nfs/dbraw/zinc/91/63/44/342916344.db2.gz RQFSLMYOSSZFQY-SECBINFHSA-N 0 0 213.664 2.027 50 0 biogenic BEAARN C[NH+](C)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000016873055 342916377 /nfs/dbraw/zinc/91/63/77/342916377.db2.gz LIXFURHZDYVNLV-SECBINFHSA-N 0 0 213.664 2.027 50 0 BEAARN O=c1cc(-c2ccccc2)[nH]c(=S)[nH]1 ZINC000018179314 342933647 /nfs/dbraw/zinc/93/36/47/342933647.db2.gz XEKNACRTWJHOCE-UHFFFAOYSA-N 0 0 204.254 2.099 50 0 BEAARN Cn1c(Cc2ccccc2)n[nH]c1=S ZINC000018286413 342935976 /nfs/dbraw/zinc/93/59/76/342935976.db2.gz MJOLNPWSILTXMX-UHFFFAOYSA-N 0 0 205.286 2.068 50 0 BEAARN CCc1cc(Cl)nc(N2CCCC2)n1 ZINC000019090439 342941286 /nfs/dbraw/zinc/94/12/86/342941286.db2.gz HJNGFOJOKNIVKF-UHFFFAOYSA-N 0 0 211.696 2.293 50 0 BEAARN CCN(CC)C(=O)c1ccc(N)c(C)c1 ZINC000019093193 342941727 /nfs/dbraw/zinc/94/17/27/342941727.db2.gz FMEAXEPPGCHKAU-UHFFFAOYSA-N 0 0 206.289 2.059 50 0 BEAARN Cc1ncc(CN(C)[C@@H](C)c2ccccn2)cn1 ZINC000351755216 136251724 /nfs/dbraw/zinc/25/17/24/136251724.db2.gz DQPKZRRHHYWOCX-NSHDSACASA-N 0 0 242.326 2.373 50 0 BEAARN CC(C)=CCn1cnc(C(F)F)cc1=O ZINC000291664806 398344343 /nfs/dbraw/zinc/34/43/43/398344343.db2.gz PHWFKHFKEYLSMB-UHFFFAOYSA-N 0 0 214.215 2.147 50 0 BEAARN CCc1cc(-c2cc[nH]n2)nc(N2CCCC2)n1 ZINC000019595668 342952010 /nfs/dbraw/zinc/95/20/10/342952010.db2.gz BIBNIEHIBJDBGP-UHFFFAOYSA-N 0 0 243.314 2.029 50 0 BEAARN O=[N+]([O-])/C=C/c1ccc(/C=C\[N+](=O)[O-])cc1 ZINC000012368774 346896157 /nfs/dbraw/zinc/89/61/57/346896157.db2.gz ZMBDJGCBGDJQOP-CGXWXWIYSA-N 0 0 220.184 2.181 50 0 BEAARN O=c1cc[nH]c2cc(OC(F)(F)F)ccc12 ZINC000019615563 342952512 /nfs/dbraw/zinc/95/25/12/342952512.db2.gz AULSFKAITWRAMK-UHFFFAOYSA-N 0 0 229.157 2.427 50 0 BEAARN Clc1ccc(CN2CCOCC2)cc1 ZINC000019634171 342952909 /nfs/dbraw/zinc/95/29/09/342952909.db2.gz AVKDDYGWEOMOGJ-UHFFFAOYSA-N 0 0 211.692 2.172 50 0 BEAARN Cc1ccc(O)c(-c2csc(N)n2)c1 ZINC000019772401 342957132 /nfs/dbraw/zinc/95/71/32/342957132.db2.gz JMLQQWPWAGJCEQ-UHFFFAOYSA-N 0 0 206.270 2.406 50 0 BEAARN COC(=O)[C@H](N)c1ccc(Cl)c(Cl)c1 ZINC000019851041 342959850 /nfs/dbraw/zinc/95/98/50/342959850.db2.gz LKSNQOTUSKXUBR-MRVPVSSYSA-N 0 0 234.082 2.166 50 0 BEAARN Nc1ccccc1CSc1ncccn1 ZINC000019869669 342960514 /nfs/dbraw/zinc/96/05/14/342960514.db2.gz HMCPUFGCOLMYBY-UHFFFAOYSA-N 0 0 217.297 2.351 50 0 BEAARN COC(=O)[C@H](N)c1cccc2ccccc21 ZINC000020157514 342973194 /nfs/dbraw/zinc/97/31/94/342973194.db2.gz LTASPYVMQCESLM-GFCCVEGCSA-N 0 0 215.252 2.013 50 0 BEAARN CCCCC(=O)N1CCC[C@@H](COCC)C1 ZINC000062108246 534930471 /nfs/dbraw/zinc/93/04/71/534930471.db2.gz BDBOLPPDBXVHSC-GFCCVEGCSA-N 0 0 227.348 2.452 50 0 BEAARN COc1ccc(OCc2cccnc2)c(C=O)c1 ZINC000020284367 342980225 /nfs/dbraw/zinc/98/02/25/342980225.db2.gz GXQNKVDAAINMNE-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 in-vitro BEAARN Nc1nc(Cl)c(Br)c(Cl)n1 ZINC000020358078 342983538 /nfs/dbraw/zinc/98/35/38/342983538.db2.gz LAUORAFVFXRKDL-UHFFFAOYSA-N 0 0 242.891 2.128 50 0 BEAARN O=c1nc[nH]c2scc(-c3ccco3)c21 ZINC000020371153 342983966 /nfs/dbraw/zinc/98/39/66/342983966.db2.gz JTIBBSSPYDCKBN-UHFFFAOYSA-N 0 0 218.237 2.245 50 0 BEAARN Cn1ccc(Nc2ncnc3sccc32)n1 ZINC000012803308 346914911 /nfs/dbraw/zinc/91/49/11/346914911.db2.gz VKNZCWBWJAROOY-UHFFFAOYSA-N 0 0 231.284 2.168 50 0 BEAARN O=C(c1cccnc1)N1CCc2sccc2C1 ZINC000021626769 343016538 /nfs/dbraw/zinc/01/65/38/343016538.db2.gz CTWLFOAVAVLWFH-UHFFFAOYSA-N 0 0 244.319 2.342 50 0 BEAARN O=c1[nH]cnc2c(-c3ccc(F)cc3)c[nH]c21 ZINC000021731070 343019314 /nfs/dbraw/zinc/01/93/14/343019314.db2.gz SGNPYIIWIWIFON-UHFFFAOYSA-N 0 0 229.214 2.057 50 0 BEAARN Cn1cc(NC(=O)Nc2ccccc2)cn1 ZINC000043273257 343025237 /nfs/dbraw/zinc/02/52/37/343025237.db2.gz OZIKEOOXPQPFAJ-UHFFFAOYSA-N 0 0 216.244 2.064 50 0 BEAARN Nc1ccc2nc(NC(=O)C3CC3)sc2c1 ZINC000022173356 343043194 /nfs/dbraw/zinc/04/31/94/343043194.db2.gz FBYQZEDMIYTRKV-UHFFFAOYSA-N 0 0 233.296 2.227 50 0 BEAARN CC(C)CNC(=O)c1cc(Cl)ccc1N ZINC000022148715 343042237 /nfs/dbraw/zinc/04/22/37/343042237.db2.gz CHNDMUKQOLOTOI-UHFFFAOYSA-N 0 0 226.707 2.308 50 0 BEAARN C[C@@H](O)c1cc(Br)ccc1O ZINC000021952743 343029856 /nfs/dbraw/zinc/02/98/56/343029856.db2.gz GYAGFKJTZFIQOE-RXMQYKEDSA-N 0 0 217.062 2.208 50 0 BEAARN Nc1ccc(F)c(NC(=O)c2ccncc2)c1 ZINC000021957064 343030299 /nfs/dbraw/zinc/03/02/99/343030299.db2.gz GDHSBAWGZKVENW-UHFFFAOYSA-N 0 0 231.230 2.055 50 0 BEAARN Nc1ccc(-n2ccnc2)cc1C(F)(F)F ZINC000021959228 343030690 /nfs/dbraw/zinc/03/06/90/343030690.db2.gz OXCRZVJIMYTILT-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN Nc1ccc(F)c(NC(=O)C2CCC2)c1 ZINC000021962381 343031027 /nfs/dbraw/zinc/03/10/27/343031027.db2.gz ZWRVASDHLJQWGD-UHFFFAOYSA-N 0 0 208.236 2.147 50 0 BEAARN O=C1C[C@H](c2cccc(C(F)(F)F)c2)CN1 ZINC000022005481 343033919 /nfs/dbraw/zinc/03/39/19/343033919.db2.gz BTQCNBXBTKAVFB-QMMMGPOBSA-N 0 0 229.201 2.309 50 0 BEAARN C=Cn1cc(-c2cccc3ccnn32)cn1 ZINC000072135619 343055304 /nfs/dbraw/zinc/05/53/04/343055304.db2.gz BPBWJGBLPYAKJA-UHFFFAOYSA-N 0 0 210.240 2.298 50 0 BEAARN Cc1ccsc1C(=O)NCCc1cccnc1 ZINC000023183250 343060667 /nfs/dbraw/zinc/06/06/67/343060667.db2.gz PGWUMOZETGUUSC-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN Cc1cnc(NC(=O)NCc2ccco2)s1 ZINC000043386090 343061651 /nfs/dbraw/zinc/06/16/51/343061651.db2.gz HGFKOGSTNWAOHK-UHFFFAOYSA-N 0 0 237.284 2.366 50 0 BEAARN O=C(c1ccccn1)N1CCc2sccc2C1 ZINC000010885051 343061859 /nfs/dbraw/zinc/06/18/59/343061859.db2.gz JLJACVAXLHIGBS-UHFFFAOYSA-N 0 0 244.319 2.342 50 0 BEAARN CCCC(=O)Nc1ccccc1-n1cncn1 ZINC000024999396 343083203 /nfs/dbraw/zinc/08/32/03/343083203.db2.gz PBDPYGOCJNQMFU-UHFFFAOYSA-N 0 0 230.271 2.006 50 0 BEAARN Cc1ccc(CCC(=O)Nc2cnn(C)c2)cc1 ZINC000025307722 343089079 /nfs/dbraw/zinc/08/90/79/343089079.db2.gz DPNADUMENZWIMH-UHFFFAOYSA-N 0 0 243.310 2.300 50 0 BEAARN CNc1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC000199724683 343077485 /nfs/dbraw/zinc/07/74/85/343077485.db2.gz NBKQGEVNGRACDN-UHFFFAOYSA-N 0 0 237.303 2.148 50 0 BEAARN Cc1ccc(N2CCn3c(=S)[nH]nc32)cc1 ZINC000026421935 343104677 /nfs/dbraw/zinc/10/46/77/343104677.db2.gz PAKVPMNPRDMXSE-UHFFFAOYSA-N 0 0 232.312 2.401 50 0 BEAARN O=c1ccc(-c2cc3ccccc3o2)n[nH]1 ZINC000026420451 343104797 /nfs/dbraw/zinc/10/47/97/343104797.db2.gz ZHAOUISCSIVVDL-UHFFFAOYSA-N 0 0 212.208 2.183 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(C)nc2onc(C)c21 ZINC000027338993 343115032 /nfs/dbraw/zinc/11/50/32/343115032.db2.gz JUTJXYWUVVAZDK-SSDOTTSWSA-N 0 0 247.298 2.368 50 0 BEAARN CC(C)CC(=O)Nc1ccccc1-n1cncn1 ZINC000028024136 343126378 /nfs/dbraw/zinc/12/63/78/343126378.db2.gz ALCUGDQCPCXVFU-UHFFFAOYSA-N 0 0 244.298 2.252 50 0 BEAARN CC/C=C/C(=O)N1CCn2cccc2[C@@H]1C ZINC000072275370 343129619 /nfs/dbraw/zinc/12/96/19/343129619.db2.gz JUYYXRALIRHGCY-ZPMKCOPCSA-N 0 0 218.300 2.358 50 0 BEAARN COC(=O)[C@@H](C)NCC[C@H](C)c1ccccc1 ZINC000043534387 343131545 /nfs/dbraw/zinc/13/15/45/343131545.db2.gz QBKJMUSSIKUHBP-NWDGAFQWSA-N 0 0 235.327 2.331 50 0 BEAARN Nc1n[nH]c(SCc2ccc3c(c2)CCC3)n1 ZINC000070499059 343140188 /nfs/dbraw/zinc/14/01/88/343140188.db2.gz NMSOXNNZEXUYGT-UHFFFAOYSA-N 0 0 246.339 2.168 50 0 BEAARN OCCOc1ccc(C(F)(F)F)cc1 ZINC000035205674 343142423 /nfs/dbraw/zinc/14/24/23/343142423.db2.gz PIPPYSAHYBTFOP-UHFFFAOYSA-N 0 0 206.163 2.077 50 0 BEAARN Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)nc1 ZINC000030514879 343177414 /nfs/dbraw/zinc/17/74/14/343177414.db2.gz JUZMVQJVBWXCSS-UHFFFAOYSA-N 0 0 242.282 2.243 50 0 BEAARN CCCCCNC(=O)Nc1cccnc1OC ZINC000048278744 343222141 /nfs/dbraw/zinc/22/21/41/343222141.db2.gz TURPCWGOCFQRQK-UHFFFAOYSA-N 0 0 237.303 2.402 50 0 BEAARN CC1(C)C[C@](C)(O)N(c2ccccc2)C(=O)N1 ZINC000012390879 534935779 /nfs/dbraw/zinc/93/57/79/534935779.db2.gz RDOFCEJOWIKGLL-ZDUSSCGKSA-N 0 0 234.299 2.093 50 0 BEAARN C/C=C/Cc1nc(-c2cccc(CO)c2)no1 ZINC000032550925 343237454 /nfs/dbraw/zinc/23/74/54/343237454.db2.gz QLIWOCLVILJMMG-NSCUHMNNSA-N 0 0 230.267 2.348 50 0 BEAARN S=C1N=NC(c2nnc(-c3ccccc3)o2)O1 ZINC000032627029 343239066 /nfs/dbraw/zinc/23/90/66/343239066.db2.gz SLIOGLRNVAUHMX-UHFFFAOYSA-N 0 0 246.251 2.075 50 0 BEAARN CC(C)N(C[C@H]1C[C@H]1C)C(=O)NC1CC1 ZINC000072302923 343242359 /nfs/dbraw/zinc/24/23/59/343242359.db2.gz LAARUEAVPOZANF-NXEZZACHSA-N 0 0 210.321 2.225 50 0 BEAARN CC(=O)c1cc(C(=O)N2CCCC[C@H]2C)n(C)c1 ZINC000032843852 343243277 /nfs/dbraw/zinc/24/32/77/343243277.db2.gz WBXCWIOQXFRDPW-SNVBAGLBSA-N 0 0 248.326 2.242 50 0 BEAARN Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000032918079 343244162 /nfs/dbraw/zinc/24/41/62/343244162.db2.gz JDJSUDGVNKNTBR-UHFFFAOYSA-N 0 0 201.229 2.196 50 0 BEAARN O=C1Nc2ccccc2C12CCC(=O)CC2 ZINC000032937872 343244356 /nfs/dbraw/zinc/24/43/56/343244356.db2.gz GOXZXAUUGKHBRE-UHFFFAOYSA-N 0 0 215.252 2.020 50 0 BEAARN CC(C)(C)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000032971849 343245600 /nfs/dbraw/zinc/24/56/00/343245600.db2.gz YKGLXDPVMMIXMJ-UHFFFAOYSA-N 0 0 249.310 2.120 50 0 BEAARN Cc1cc(C(=O)N(C)C)c(C)n1C(C)C ZINC000033026250 343246966 /nfs/dbraw/zinc/24/69/66/343246966.db2.gz PHAMYMOZOHWISX-UHFFFAOYSA-N 0 0 208.305 2.388 50 0 BEAARN Cc1c(Cl)cccc1NC(=O)c1nc[nH]n1 ZINC000013111958 346930995 /nfs/dbraw/zinc/93/09/95/346930995.db2.gz GXDBLHFAXFXWTG-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN CC(C)(C)OC(=O)CCC(=O)OC(C)(C)C ZINC000014718430 343261510 /nfs/dbraw/zinc/26/15/10/343261510.db2.gz GOORECODRBZTKF-UHFFFAOYSA-N 0 0 230.304 2.450 50 0 BEAARN O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]1 ZINC000034017094 343263669 /nfs/dbraw/zinc/26/36/69/343263669.db2.gz HQBYAESCKCDTDJ-UHFFFAOYSA-N 0 0 203.028 2.163 50 0 BEAARN Cc1c(Br)cccc1CO ZINC000034116216 343264812 /nfs/dbraw/zinc/26/48/12/343264812.db2.gz XYDXDWXAAQXHLK-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN CC(C)(C)OC(=O)CNCCc1ccccc1 ZINC000034302510 343267920 /nfs/dbraw/zinc/26/79/20/343267920.db2.gz QDASFECSQYSVMK-UHFFFAOYSA-N 0 0 235.327 2.160 50 0 BEAARN ClC1=Nc2c(cnn2-c2ccccc2)CN1 ZINC000034343108 343268298 /nfs/dbraw/zinc/26/82/98/343268298.db2.gz XNKXPYASJUEJSR-UHFFFAOYSA-N 0 0 232.674 2.202 50 0 BEAARN CCP(=O)(CC)c1ccccc1CO ZINC000000301393 343269377 /nfs/dbraw/zinc/26/93/77/343269377.db2.gz KSVLOWKKDWHFNQ-UHFFFAOYSA-N 0 0 212.229 2.207 50 0 BEAARN C/C(=C\c1ccccc1)CN1CCOCC1 ZINC000023281791 343271719 /nfs/dbraw/zinc/27/17/19/343271719.db2.gz ZWROGOIYEQJXCD-ACCUITESSA-N 0 0 217.312 2.422 50 0 BEAARN O=S1(=O)CC[C@@H](SCc2ccccc2)C1 ZINC000004012922 343272703 /nfs/dbraw/zinc/27/27/03/343272703.db2.gz IODDXTSNEMMCKV-LLVKDONJSA-N 0 0 242.365 2.107 50 0 BEAARN Nc1oc2ccccc2c(=O)c1Br ZINC000006667433 343274010 /nfs/dbraw/zinc/27/40/10/343274010.db2.gz ULIVPNIIIZRVLA-UHFFFAOYSA-N 0 0 240.056 2.138 50 0 BEAARN Cn1ccc2cc(Br)cnc21 ZINC000034527463 343274245 /nfs/dbraw/zinc/27/42/45/343274245.db2.gz FBOBGKHOQSQKRZ-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 in-vitro BEAARN Nc1cccc(C(=O)N2CCC3(CCCC3)C2)n1 ZINC000310828409 343279466 /nfs/dbraw/zinc/27/94/66/343279466.db2.gz FWCBXVGCQLDLRZ-UHFFFAOYSA-N 0 0 245.326 2.070 50 0 BEAARN Cc1c(C=O)c2ccccc2n1C[C@H]1CO1 ZINC000034927130 343280887 /nfs/dbraw/zinc/28/08/87/343280887.db2.gz ODKRYFQSRACIJN-JTQLQIEISA-N 0 0 215.252 2.161 50 0 BEAARN NN=c1[nH]c2c(cc(Cl)cc2F)s1 ZINC000034936100 343280988 /nfs/dbraw/zinc/28/09/88/343280988.db2.gz GWCZFNGJNNAPDU-UHFFFAOYSA-N 0 0 217.656 2.374 50 0 BEAARN CCOc1ccc(OCC)c(NC(N)=S)c1 ZINC000034938863 343281510 /nfs/dbraw/zinc/28/15/10/343281510.db2.gz CNAWZSMTIKVQCS-UHFFFAOYSA-N 0 0 240.328 2.140 50 0 BEAARN Nc1ccc(F)cc1C(=O)N1CCCCC1 ZINC000034959021 343281906 /nfs/dbraw/zinc/28/19/06/343281906.db2.gz HANYEWXRXGYXFH-UHFFFAOYSA-N 0 0 222.263 2.034 50 0 BEAARN COc1cc(C(=O)N2CCCC2)ccc1C ZINC000036393473 343317965 /nfs/dbraw/zinc/31/79/65/343317965.db2.gz YUNOELNNMPJDDZ-UHFFFAOYSA-N 0 0 219.284 2.240 50 0 BEAARN O=c1cc[nH]c2c(F)cc(Br)cc12 ZINC000035731144 343302740 /nfs/dbraw/zinc/30/27/40/343302740.db2.gz WDEWJCNNJOEGHB-UHFFFAOYSA-N 0 0 242.047 2.430 50 0 BEAARN Clc1cncc(NCc2ccccn2)n1 ZINC000035940266 343305905 /nfs/dbraw/zinc/30/59/05/343305905.db2.gz DGKHNHCAQKNFNO-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN O=C([O-])[C@H]([NH2+]C1CC1)c1c[nH]c2ccccc21 ZINC000036047648 343307385 /nfs/dbraw/zinc/30/73/85/343307385.db2.gz BCKDAERGQLSGQB-GFCCVEGCSA-N 0 0 230.267 2.046 50 0 BEAARN CCn1cncc1CN1CCC[C@](C)(F)C1 ZINC000335631551 136300477 /nfs/dbraw/zinc/30/04/77/136300477.db2.gz BQIOQNQOQREGBO-LBPRGKRZSA-N 0 0 225.311 2.227 50 0 BEAARN CC(C)(C)OC(=O)Nc1ccncc1N ZINC000038235726 343372763 /nfs/dbraw/zinc/37/27/63/343372763.db2.gz UVAXTPFOVJAXHO-UHFFFAOYSA-N 0 0 209.249 2.011 50 0 BEAARN CCOc1c(F)cc(CO)cc1Cl ZINC000038529983 343376208 /nfs/dbraw/zinc/37/62/08/343376208.db2.gz DUWRGOSLIVJCQY-UHFFFAOYSA-N 0 0 204.628 2.370 50 0 BEAARN CC(=O)CCCC(=O)OCc1ccccc1 ZINC000039234493 343387434 /nfs/dbraw/zinc/38/74/34/343387434.db2.gz CJLCXVYSIMXASI-UHFFFAOYSA-N 0 0 220.268 2.489 50 0 BEAARN CC(C)(C)C(=O)Nc1ncc(F)cc1C=O ZINC000039961271 343394329 /nfs/dbraw/zinc/39/43/29/343394329.db2.gz DCHHGGYJXRRFGW-UHFFFAOYSA-N 0 0 224.235 2.018 50 0 BEAARN O=C(CCc1ccc(F)c(F)c1)NC1CC1 ZINC000040073438 343395330 /nfs/dbraw/zinc/39/53/30/343395330.db2.gz OJEKXLBKVPDVKS-UHFFFAOYSA-N 0 0 225.238 2.176 50 0 BEAARN CC(=O)c1cnn(Cc2ccccc2)c1 ZINC000040435219 343403043 /nfs/dbraw/zinc/40/30/43/343403043.db2.gz NOKBKNYKUSDAPF-UHFFFAOYSA-N 0 0 200.241 2.134 50 0 BEAARN CSc1nc2c3ccccc3oc2c(=O)n1C ZINC000040456169 343404792 /nfs/dbraw/zinc/40/47/92/343404792.db2.gz FZHGFCLMFRRCHB-UHFFFAOYSA-N 0 0 246.291 2.402 50 0 BEAARN Nc1n[nH]cc1Sc1ccc(F)cc1 ZINC000040999481 343412592 /nfs/dbraw/zinc/41/25/92/343412592.db2.gz SPNFPXIHZPQFJP-UHFFFAOYSA-N 0 0 209.249 2.282 50 0 BEAARN CN(C)c1nc2ccccc2c(N2CCCC2)n1 ZINC000041148262 343416135 /nfs/dbraw/zinc/41/61/35/343416135.db2.gz DSNZRELINOSIEY-UHFFFAOYSA-N 0 0 242.326 2.296 50 0 BEAARN Cc1nnc(CN2CCSCC[C@@H]2C)s1 ZINC000335739710 136351687 /nfs/dbraw/zinc/35/16/87/136351687.db2.gz KEBPAWCQJPXFFU-QMMMGPOBSA-N 0 0 243.401 2.174 50 0 BEAARN O=C(NC1CC1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000335705710 136335567 /nfs/dbraw/zinc/33/55/67/136335567.db2.gz YLWOZUHYVHZLBQ-RQJHMYQMSA-N 0 0 221.222 2.244 50 0 BEAARN CC(C)CC(=O)NC(=O)NC1CCCCC1 ZINC000000509514 346941605 /nfs/dbraw/zinc/94/16/05/346941605.db2.gz YJZUDDCBIXWXKS-UHFFFAOYSA-N 0 0 226.320 2.191 50 0 BEAARN CC(C)c1nccn1CC1(O)CCCC1 ZINC000083588145 343492596 /nfs/dbraw/zinc/49/25/96/343492596.db2.gz VRSHYJSMFLAANU-UHFFFAOYSA-N 0 0 208.305 2.312 50 0 BEAARN CC(=O)CCCCC(=O)c1ccccn1 ZINC000043210458 343465925 /nfs/dbraw/zinc/46/59/25/343465925.db2.gz CPIFCTKWJUNUHZ-UHFFFAOYSA-N 0 0 205.257 2.414 50 0 BEAARN O=C1CCCc2c3cc4c(cc3[nH]c21)OCO4 ZINC000044918323 343519176 /nfs/dbraw/zinc/51/91/76/343519176.db2.gz CEDWRANDXVVHNE-UHFFFAOYSA-N 0 0 229.235 2.416 50 0 BEAARN CC(=O)Cc1nc(-c2cccc(C)c2)no1 ZINC000045918720 343535402 /nfs/dbraw/zinc/53/54/02/343535402.db2.gz SKQBFNVAHFRZMJ-UHFFFAOYSA-N 0 0 216.240 2.177 50 0 BEAARN CC(C)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000044449133 343500682 /nfs/dbraw/zinc/50/06/82/343500682.db2.gz HOZBRISUJKPFNX-UHFFFAOYSA-N 0 0 238.312 2.257 50 0 BEAARN CC(C)CC(=O)N[C@@H](C)Cc1ccco1 ZINC000044443793 343500966 /nfs/dbraw/zinc/50/09/66/343500966.db2.gz WRRJITKUQKNRHY-JTQLQIEISA-N 0 0 209.289 2.373 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2cccnc2)o1 ZINC000040459494 178544148 /nfs/dbraw/zinc/54/41/48/178544148.db2.gz WMKZNIOEHBPGMH-UHFFFAOYSA-N 0 0 230.267 2.255 50 0 BEAARN CC(C)CN(Cc1c[nH]cn1)Cc1ccccn1 ZINC000055199921 343666292 /nfs/dbraw/zinc/66/62/92/343666292.db2.gz JIDLMPRJJMGNDI-UHFFFAOYSA-N 0 0 244.342 2.463 50 0 BEAARN CC[C@@H](OC)C(=O)Nc1cc(C)ccc1F ZINC000058046383 343696669 /nfs/dbraw/zinc/69/66/69/343696669.db2.gz OZRIZCMZCKCPCR-LLVKDONJSA-N 0 0 225.263 2.498 50 0 BEAARN CCS(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000013939641 346967062 /nfs/dbraw/zinc/96/70/62/346967062.db2.gz NCZRUPLOQLHCTN-GFCCVEGCSA-N 0 0 239.340 2.003 50 0 BEAARN Cc1noc(C)c1C(=O)Nc1cnn(C(C)C)c1 ZINC000066388875 349876404 /nfs/dbraw/zinc/87/64/04/349876404.db2.gz UBEDPJLLXYEYNO-UHFFFAOYSA-N 0 0 248.286 2.321 50 0 BEAARN CC1=C[C@H](C)CN(C(=O)CC(C)(F)F)C1 ZINC000334597294 343894209 /nfs/dbraw/zinc/89/42/09/343894209.db2.gz QYEAIMGWHWXUJC-QMMMGPOBSA-N 0 0 217.259 2.456 50 0 BEAARN Fc1cccnc1SC[C@H]1CCOC1 ZINC000334662148 343899583 /nfs/dbraw/zinc/89/95/83/343899583.db2.gz WPDFLMHUNYRNTR-QMMMGPOBSA-N 0 0 213.277 2.349 50 0 BEAARN CCN1C(=S)N2CCCN2[C@@H]1c1ccccc1 ZINC000004723846 343975300 /nfs/dbraw/zinc/97/53/00/343975300.db2.gz JQHRJTKBCLYILQ-GFCCVEGCSA-N 0 0 247.367 2.228 50 0 BEAARN O=C(c1ccccc1Cl)n1cccn1 ZINC000000037165 344042858 /nfs/dbraw/zinc/04/28/58/344042858.db2.gz TXMCQTASHMXJQF-UHFFFAOYSA-N 0 0 206.632 2.225 50 0 BEAARN Fc1ccc(C[NH2+]C[C@@H]2CCCO2)c(F)c1 ZINC000004681901 343958193 /nfs/dbraw/zinc/95/81/93/343958193.db2.gz CMUUAWMWXAMNAE-NSHDSACASA-N 0 0 227.254 2.233 50 0 BEAARN CCOC(=O)c1cc2c([nH]1)c(F)ccc2OC ZINC000115332147 347026902 /nfs/dbraw/zinc/02/69/02/347026902.db2.gz JYYYQKMBSPASDL-UHFFFAOYSA-N 0 0 237.230 2.492 50 0 BEAARN C=CC(=O)N[C@@H](Cc1ccccc1)c1ncco1 ZINC000585141158 344173217 /nfs/dbraw/zinc/17/32/17/344173217.db2.gz QPPLZYVVURLEJW-LBPRGKRZSA-N 0 0 242.278 2.261 50 0 BEAARN Cn1cc(/C=C2/CCCc3nccnc32)cn1 ZINC000585135789 344148026 /nfs/dbraw/zinc/14/80/26/344148026.db2.gz BGFXKAWARVDYMB-XFFZJAGNSA-N 0 0 226.283 2.087 50 0 BEAARN CC[C@@H](O)c1nccn1Cc1ccsc1 ZINC000585137017 344148651 /nfs/dbraw/zinc/14/86/51/344148651.db2.gz DDITZVZAAFXUAN-SNVBAGLBSA-N 0 0 222.313 2.436 50 0 BEAARN CC(=O)N(C)c1ccccc1NC(=O)C1CCC1 ZINC000076017166 192368912 /nfs/dbraw/zinc/36/89/12/192368912.db2.gz HIWVIYYRCKQKRA-UHFFFAOYSA-N 0 0 246.310 2.408 50 0 BEAARN CCOC[C@H](C)Nc1ccc(-n2ccnn2)cc1 ZINC000097371324 344179295 /nfs/dbraw/zinc/17/92/95/344179295.db2.gz SIJAYNFWHRUPGC-NSHDSACASA-N 0 0 246.314 2.104 50 0 BEAARN CCCCOc1cc(F)c(C(N)=O)c(F)c1 ZINC000091252286 344279055 /nfs/dbraw/zinc/27/90/55/344279055.db2.gz YRKCXWHINVIJNZ-UHFFFAOYSA-N 0 0 229.226 2.243 50 0 BEAARN CCCCOc1ncc(F)c(Cl)n1 ZINC000097758254 344324254 /nfs/dbraw/zinc/32/42/54/344324254.db2.gz FOPOHOZZPRLBQY-UHFFFAOYSA-N 0 0 204.632 2.448 50 0 BEAARN O=C(c1ccc(F)cc1)C1CCOCC1 ZINC000061671136 344355839 /nfs/dbraw/zinc/35/58/39/344355839.db2.gz RZAVXOHTGXATST-UHFFFAOYSA-N 0 0 208.232 2.435 50 0 BEAARN CCOC(=O)/C=C\c1cccc(OC)c1 ZINC000017197586 344403712 /nfs/dbraw/zinc/40/37/12/344403712.db2.gz UPOMPRQKAGEXPN-FPLPWBNLSA-N 0 0 206.241 2.272 50 0 BEAARN c1cncc(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000098177157 344407661 /nfs/dbraw/zinc/40/76/61/344407661.db2.gz FROCHSJPEKNJHY-ZIAGYGMSSA-N 0 0 232.327 2.225 50 0 BEAARN CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)[O-] ZINC000042487893 344456425 /nfs/dbraw/zinc/45/64/25/344456425.db2.gz BIDFHZIGSAERHP-QMMMGPOBSA-N 0 0 213.302 2.043 50 0 BEAARN CCCc1c(C(=O)OC)[nH]c(C)c1C(C)=O ZINC000048765276 344495245 /nfs/dbraw/zinc/49/52/45/344495245.db2.gz FHIJQICYAZZYSE-UHFFFAOYSA-N 0 0 223.272 2.265 50 0 BEAARN CCOC(=O)c1ccc(-c2cccnc2)[nH]1 ZINC000072233347 344519325 /nfs/dbraw/zinc/51/93/25/344519325.db2.gz BCHFKNCJJSQJMG-UHFFFAOYSA-N 0 0 216.240 2.253 50 0 BEAARN Nc1nc(F)cc(Oc2ccccc2F)n1 ZINC000000194200 344611168 /nfs/dbraw/zinc/61/11/68/344611168.db2.gz RKPRVUJATNPNJK-UHFFFAOYSA-N 0 0 223.182 2.129 50 0 BEAARN Cn1cccc1C(=O)NCc1ccc(F)cc1 ZINC000013493579 362471857 /nfs/dbraw/zinc/47/18/57/362471857.db2.gz DYHAUIVJTSSYRK-UHFFFAOYSA-N 0 0 232.258 2.094 50 0 BEAARN COC(=O)c1cc(C)c([N+](=O)[O-])cc1Cl ZINC000396147132 344620522 /nfs/dbraw/zinc/62/05/22/344620522.db2.gz KXABNFJJVGOGHI-UHFFFAOYSA-N 0 0 229.619 2.343 50 0 BEAARN CC[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000049333958 344621850 /nfs/dbraw/zinc/62/18/50/344621850.db2.gz LCYOLFHZHONPME-JTQLQIEISA-N 0 0 247.747 2.340 50 0 BEAARN Nc1cccc(-c2nnc(-c3ccncc3)o2)c1 ZINC000000296109 344679193 /nfs/dbraw/zinc/67/91/93/344679193.db2.gz PDLDLFIEMCDDAU-UHFFFAOYSA-N 0 0 238.250 2.381 50 0 BEAARN Cc1ccc(N2C(=O)[C@@H]3CCCN3C2=S)cc1 ZINC000000217517 344644533 /nfs/dbraw/zinc/64/45/33/344644533.db2.gz CAJVJVBMUUICPN-NSHDSACASA-N 0 0 246.335 2.091 50 0 BEAARN Cc1cc(C)nc(OC(=O)c2ccccc2)n1 ZINC000000361494 344729291 /nfs/dbraw/zinc/72/92/91/344729291.db2.gz KVPQGLCJLRRVQS-UHFFFAOYSA-N 0 0 228.251 2.313 50 0 BEAARN CN(C)c1cccc(OC(=O)c2ccncc2)c1 ZINC000000362622 344729510 /nfs/dbraw/zinc/72/95/10/344729510.db2.gz KOOVIGCOPSFGCI-UHFFFAOYSA-N 0 0 242.278 2.367 50 0 BEAARN Cc1ccc(F)cc1NC(=O)c1ccn(C)n1 ZINC000000371471 344733558 /nfs/dbraw/zinc/73/35/58/344733558.db2.gz JXMWUZYMEBDIGF-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Nc1ccnc(-c2ccc(O)c3ccccc32)n1 ZINC000426552111 344751403 /nfs/dbraw/zinc/75/14/03/344751403.db2.gz TXZJVYQKQSSEPJ-UHFFFAOYSA-N 0 0 237.262 2.415 50 0 BEAARN Cc1occc1C(=O)NC1CC(C)(F)C1 ZINC000334867750 537861773 /nfs/dbraw/zinc/86/17/73/537861773.db2.gz KBWQTLSJTJWXLL-UHFFFAOYSA-N 0 0 211.236 2.208 50 0 BEAARN COc1cc(F)ccc1NC(=O)C1CC1 ZINC000025309695 344829821 /nfs/dbraw/zinc/82/98/21/344829821.db2.gz ZKOPQSPKDDTQHN-UHFFFAOYSA-N 0 0 209.220 2.183 50 0 BEAARN Cn1c(C(=O)NC2CC2)cc2sccc21 ZINC000004971159 344873912 /nfs/dbraw/zinc/87/39/12/344873912.db2.gz ZYZYMGMJEGNXJW-UHFFFAOYSA-N 0 0 220.297 2.132 50 0 BEAARN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(F)(F)F ZINC000169414110 345017091 /nfs/dbraw/zinc/01/70/91/345017091.db2.gz GCJUZGHULRVKGS-NTSWFWBYSA-N 0 0 225.210 2.462 50 0 BEAARN C[C@H](CCc1ccco1)NC(=O)[C@@H]1C[C@H]1C ZINC000248153513 345059515 /nfs/dbraw/zinc/05/95/15/345059515.db2.gz CHCUSMVCAWIIQG-CKYFFXLPSA-N 0 0 221.300 2.373 50 0 BEAARN Cc1ccc(S(=O)(=O)NCCC(C)C)cc1 ZINC000000477593 178826308 /nfs/dbraw/zinc/82/63/08/178826308.db2.gz LKTXDNCQAMQPSI-UHFFFAOYSA-N 0 0 241.356 2.319 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)C2CCOCC2)o1 ZINC000058307968 178834270 /nfs/dbraw/zinc/83/42/70/178834270.db2.gz LSORNTDNKSDCAB-SNVBAGLBSA-N 0 0 237.299 2.192 50 0 BEAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2)o1 ZINC000004108202 178878597 /nfs/dbraw/zinc/87/85/97/178878597.db2.gz HTIWQIPVCIRJKO-LBPRGKRZSA-N 0 0 228.251 2.442 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000013327706 178886770 /nfs/dbraw/zinc/88/67/70/178886770.db2.gz HLHIJMBYGLSGPE-WCQYABFASA-N 0 0 233.311 2.351 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000028072853 537901139 /nfs/dbraw/zinc/90/11/39/537901139.db2.gz FDQNCMVCDPEIMF-WZRBSPASSA-N 0 0 245.322 2.010 50 0 BEAARN Cc1cccc(CCNC(=O)N2CCCC2)c1 ZINC000072056449 537903910 /nfs/dbraw/zinc/90/39/10/537903910.db2.gz WDFMZBGPHOLLLW-UHFFFAOYSA-N 0 0 232.327 2.343 50 0 BEAARN C[C@@H]1CCCN(C(=O)C2=CCCCO2)CC1 ZINC000073120808 537906106 /nfs/dbraw/zinc/90/61/06/537906106.db2.gz HZPVFSDYLAEMCU-LLVKDONJSA-N 0 0 223.316 2.329 50 0 BEAARN Clc1cnc(SC2CCOCC2)nc1 ZINC000095975088 345686786 /nfs/dbraw/zinc/68/67/86/345686786.db2.gz ODPNRXFHSTUULJ-UHFFFAOYSA-N 0 0 230.720 2.401 50 0 BEAARN C[C@H]1OCC[C@@H]1Sc1ncc(Cl)cn1 ZINC000095973771 345686879 /nfs/dbraw/zinc/68/68/79/345686879.db2.gz BFUGTWSLJOARCO-SVRRBLITSA-N 0 0 230.720 2.400 50 0 BEAARN Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(C)C ZINC000095980476 345686892 /nfs/dbraw/zinc/68/68/92/345686892.db2.gz ULSZNMOSUKSDAC-LBPRGKRZSA-N 0 0 237.347 2.056 50 0 BEAARN CCOC(=O)Cc1ccnc2ccc(OC)cc12 ZINC000143952882 345756625 /nfs/dbraw/zinc/75/66/25/345756625.db2.gz UOCXWBARXPRKNF-UHFFFAOYSA-N 0 0 245.278 2.349 50 0 BEAARN C[C@@H]1CCCCN1C(=O)NO[C@H]1CCCCO1 ZINC000166917576 345953710 /nfs/dbraw/zinc/95/37/10/345953710.db2.gz BYVAZLWJPPJEBV-MNOVXSKESA-N 0 0 242.319 2.029 50 0 BEAARN C[C@H]1CCCCN1C(=O)NO[C@@H]1CCCCO1 ZINC000166917488 345953714 /nfs/dbraw/zinc/95/37/14/345953714.db2.gz BYVAZLWJPPJEBV-WDEREUQCSA-N 0 0 242.319 2.029 50 0 BEAARN CCCC(=O)N1CCC[C@H]1c1cccn1C ZINC000040473069 168539525 /nfs/dbraw/zinc/53/95/25/168539525.db2.gz KBLZVTMYOSFSGG-LBPRGKRZSA-N 0 0 220.316 2.489 50 0 BEAARN CCOC[C@H](C)OC(=O)c1cccc2c[nH]nc21 ZINC000190767224 345984005 /nfs/dbraw/zinc/98/40/05/345984005.db2.gz GPSLSRJCOOZFDN-VIFPVBQESA-N 0 0 248.282 2.145 50 0 BEAARN CCN1C(=O)C2(CCCCC2)N[C@H]1c1ccco1 ZINC000075572695 537930174 /nfs/dbraw/zinc/93/01/74/537930174.db2.gz HJXVRSSESMJLNA-GFCCVEGCSA-N 0 0 248.326 2.433 50 0 BEAARN Cc1noc(Cn2ccc(-c3ccsc3)n2)n1 ZINC000076062558 537931634 /nfs/dbraw/zinc/93/16/34/537931634.db2.gz FWVZMIDHEUIWMQ-UHFFFAOYSA-N 0 0 246.295 2.351 50 0 BEAARN Cc1ccc2cc(-c3ncc[nH]3)c(=O)[nH]c2c1 ZINC000067473248 178967554 /nfs/dbraw/zinc/96/75/54/178967554.db2.gz KUNSWTMPDMYQDY-UHFFFAOYSA-N 0 0 225.251 2.227 50 0 BEAARN Cc1ccc2nc(N3C(=O)CCC3=O)sc2c1 ZINC000002697031 178978701 /nfs/dbraw/zinc/97/87/01/178978701.db2.gz FALQMEHXDIYIKB-UHFFFAOYSA-N 0 0 246.291 2.258 50 0 BEAARN O=C1CCN1c1ccc(C(F)(F)F)cc1 ZINC000034552498 537948569 /nfs/dbraw/zinc/94/85/69/537948569.db2.gz RNKYIHDUAJOFDX-UHFFFAOYSA-N 0 0 215.174 2.442 50 0 BEAARN C(CSC[C@@H]1CCCO1)O[C@H]1CCCCO1 ZINC000193446201 346166017 /nfs/dbraw/zinc/16/60/17/346166017.db2.gz USOWFRVLATZSBK-RYUDHWBXSA-N 0 0 246.372 2.442 50 0 BEAARN C[C@H]1CCO[C@H](c2ccc3c(c2)OCO3)O1 ZINC000001031420 346176695 /nfs/dbraw/zinc/17/66/95/346176695.db2.gz UHMDSJXMGSTUIG-UFBFGSQYSA-N 0 0 222.240 2.239 50 0 BEAARN COCOc1ccc(Br)cc1OC ZINC000167183298 346208243 /nfs/dbraw/zinc/20/82/43/346208243.db2.gz YKZDSUQEZRQTJE-UHFFFAOYSA-N 0 0 247.088 2.440 50 0 BEAARN CC(C)C(=O)Nc1nonc1-c1ccccc1 ZINC000005451397 346231156 /nfs/dbraw/zinc/23/11/56/346231156.db2.gz KMNUILCUOXZKPG-UHFFFAOYSA-N 0 0 231.255 2.331 50 0 BEAARN Cc1cccc(C(=O)N(C)Cc2cnn(C)c2)c1 ZINC000040040483 179005067 /nfs/dbraw/zinc/00/50/67/179005067.db2.gz IELHZZXYYUJGSK-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2O)c1 ZINC000010543127 179005568 /nfs/dbraw/zinc/00/55/68/179005568.db2.gz MSJXKDKGLDMETH-KBPBESRZSA-N 0 0 247.338 2.371 50 0 BEAARN O[C@@H](Cc1nc2ccccc2[nH]1)c1ccncc1 ZINC000034182397 346218084 /nfs/dbraw/zinc/21/80/84/346218084.db2.gz NBOWNOMUQNMZKA-ZDUSSCGKSA-N 0 0 239.278 2.234 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)c2ncc[nH]2)c1 ZINC000141051066 179023400 /nfs/dbraw/zinc/02/34/00/179023400.db2.gz OSVVUPHGUOHYLW-SNVBAGLBSA-N 0 0 229.283 2.209 50 0 BEAARN Cc1cccc(C(=O)NCCc2ccccn2)c1 ZINC000009127022 179017415 /nfs/dbraw/zinc/01/74/15/179017415.db2.gz FZSQUPBSRCNNQY-UHFFFAOYSA-N 0 0 240.306 2.363 50 0 BEAARN Cc1cccc(C)c1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000095441341 179031617 /nfs/dbraw/zinc/03/16/17/179031617.db2.gz ZGAHCYHKPHXQFJ-RYUDHWBXSA-N 0 0 235.327 2.050 50 0 BEAARN Cc1n[nH]cc1CNC(=O)c1c(C)cccc1C ZINC000195540118 179031680 /nfs/dbraw/zinc/03/16/80/179031680.db2.gz POFYYNODQAVYTQ-UHFFFAOYSA-N 0 0 243.310 2.265 50 0 BEAARN Cc1cccc(C(=O)c2c[nH]cn2)c1C ZINC000034741226 179027444 /nfs/dbraw/zinc/02/74/44/179027444.db2.gz RXMJMOMMINVJMY-UHFFFAOYSA-N 0 0 200.241 2.258 50 0 BEAARN Cc1cccc(C)c1C(=O)CC1OCCO1 ZINC000085652258 179029475 /nfs/dbraw/zinc/02/94/75/179029475.db2.gz MTNDWHMLHWVKOC-UHFFFAOYSA-N 0 0 220.268 2.249 50 0 BEAARN Cc1cccc(CC(=O)n2cccn2)c1 ZINC000013320066 179053284 /nfs/dbraw/zinc/05/32/84/179053284.db2.gz WOAUQDOETKHINB-UHFFFAOYSA-N 0 0 200.241 2.074 50 0 BEAARN CC(C)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000000030854 346402922 /nfs/dbraw/zinc/40/29/22/346402922.db2.gz UOJJCQFKJWBDOP-UHFFFAOYSA-N 0 0 242.344 2.028 50 0 BEAARN CCCC(=O)NCc1noc(-c2ccccc2)n1 ZINC000064988270 168554203 /nfs/dbraw/zinc/55/42/03/168554203.db2.gz YMRMKAGXWNTUPM-UHFFFAOYSA-N 0 0 245.282 2.153 50 0 BEAARN CC(C)[C@H]1NC(=S)N(C2CCCCC2)C1=O ZINC000000307639 346411666 /nfs/dbraw/zinc/41/16/66/346411666.db2.gz ONXDYTSYCAPBEQ-SNVBAGLBSA-N 0 0 240.372 2.060 50 0 BEAARN CN(C1=NC(=O)CS1)c1ccc(Cl)cc1 ZINC000000618320 346421519 /nfs/dbraw/zinc/42/15/19/346421519.db2.gz FHOYGNVHKNUJTN-UHFFFAOYSA-N 0 0 240.715 2.406 50 0 BEAARN Cc1occc1C(=O)Nc1ccncc1 ZINC000001516906 346448662 /nfs/dbraw/zinc/44/86/62/346448662.db2.gz YQBDLYFUZJNLDH-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN Cc1cccc(Cl)c1OCCCO ZINC000095988714 179107631 /nfs/dbraw/zinc/10/76/31/179107631.db2.gz KJWBURJIOWEUCZ-UHFFFAOYSA-N 0 0 200.665 2.410 50 0 BEAARN CCCCCCNc1nc(C)cc(=O)[nH]1 ZINC000002550100 346510998 /nfs/dbraw/zinc/51/09/98/346510998.db2.gz SVJISDUCVHBCKL-UHFFFAOYSA-N 0 0 209.293 2.071 50 0 BEAARN O=c1[nH]c2c(s1)CCc1ccccc1-2 ZINC000034669971 229568200 /nfs/dbraw/zinc/56/82/00/229568200.db2.gz KCAMAVOHATWIMM-UHFFFAOYSA-N 0 0 203.266 2.202 50 0 BEAARN Cc1cccc(C[C@H](CO)Nc2ccccn2)c1 ZINC000276291775 179106361 /nfs/dbraw/zinc/10/63/61/179106361.db2.gz JXMBEDOCKMZLBW-CQSZACIVSA-N 0 0 242.322 2.406 50 0 BEAARN C[C@@H](C(=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000082343103 537983162 /nfs/dbraw/zinc/98/31/62/537983162.db2.gz HBRSSCLTCVYAAK-DGCLKSJQSA-N 0 0 233.311 2.229 50 0 BEAARN Cc1cccc(N(C)[C@H](C)c2cnn(C)c2)n1 ZINC000170604246 179117322 /nfs/dbraw/zinc/11/73/22/179117322.db2.gz GWAUHCLOZYKGAL-LLVKDONJSA-N 0 0 230.315 2.321 50 0 BEAARN Cc1cccc(Cn2cc(Cl)c(N)n2)c1 ZINC000002578493 179109559 /nfs/dbraw/zinc/10/95/59/179109559.db2.gz NZOVZLFJCJGLKB-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN Cc1cc(N)n(Cc2cccc(C)c2)n1 ZINC000019090093 179109641 /nfs/dbraw/zinc/10/96/41/179109641.db2.gz NWVYVQFRGXWZOA-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN Cc1nn(Cc2cccc(C)c2)c(C)c1N ZINC000001428536 179109748 /nfs/dbraw/zinc/10/97/48/179109748.db2.gz JNJJTGBGHKNHDF-UHFFFAOYSA-N 0 0 215.300 2.439 50 0 BEAARN CCc1ccc(/C=C2/SC(=N)NC2=O)cc1 ZINC000005556571 346623459 /nfs/dbraw/zinc/62/34/59/346623459.db2.gz SBJXYXZYEIYNPM-JXMROGBWSA-N 0 0 232.308 2.388 50 0 BEAARN Cc1cccc(NC(=O)C(=O)NCCC(C)C)c1 ZINC000002944343 179125404 /nfs/dbraw/zinc/12/54/04/179125404.db2.gz TWQBOEQEBNGYRV-UHFFFAOYSA-N 0 0 248.326 2.096 50 0 BEAARN CC(C)(C)C1=C[C@@](O)(C(C)(C)C)OC1=O ZINC000004419578 346603062 /nfs/dbraw/zinc/60/30/62/346603062.db2.gz JHMQKONPMTWJSW-LBPRGKRZSA-N 0 0 212.289 2.250 50 0 BEAARN CCCCSc1nnc(NC(C)=O)s1 ZINC000004670961 346605794 /nfs/dbraw/zinc/60/57/94/346605794.db2.gz AEMJHXBLCSKFGY-UHFFFAOYSA-N 0 0 231.346 2.389 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)c1cc(C)ccc1C ZINC000005120486 346611527 /nfs/dbraw/zinc/61/15/27/346611527.db2.gz ZMCWPPSBNAFYHL-LLVKDONJSA-N 0 0 241.356 2.380 50 0 BEAARN Cc1nc(C)c(C(=O)NCc2ccco2)s1 ZINC000005183464 346611766 /nfs/dbraw/zinc/61/17/66/346611766.db2.gz HSDWMZLZLDPNFY-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN Cc1cccc(CSc2nncn2C)c1 ZINC000006317275 346647856 /nfs/dbraw/zinc/64/78/56/346647856.db2.gz NNAFHVSSBUZZHX-UHFFFAOYSA-N 0 0 219.313 2.416 50 0 BEAARN Cc1cccc(NC(=O)N(C)C[C@H]2CCCO2)n1 ZINC000096013080 179130510 /nfs/dbraw/zinc/13/05/10/179130510.db2.gz VMZUUHRIMZSDTD-LLVKDONJSA-N 0 0 249.314 2.033 50 0 BEAARN O=C(c1ccco1)c1n[nH]nc1-c1ccccc1 ZINC000005646854 346629976 /nfs/dbraw/zinc/62/99/76/346629976.db2.gz DEYFPDFYCCEHOW-UHFFFAOYSA-N 0 0 239.234 2.296 50 0 BEAARN Cc1cccc(NC(=O)NCCC2CC2)n1 ZINC000097378712 179133983 /nfs/dbraw/zinc/13/39/83/179133983.db2.gz GUZMHQYEVCNSSB-UHFFFAOYSA-N 0 0 219.288 2.312 50 0 BEAARN Cc1cccc(NC(=O)[C@@H]2CCCO2)c1C ZINC000006317851 179138345 /nfs/dbraw/zinc/13/83/45/179138345.db2.gz HXJFWRVMTMJXCL-LBPRGKRZSA-N 0 0 219.284 2.421 50 0 BEAARN Cc1cccc(NC(=O)c2cc[n+]([O-])cc2)c1C ZINC000003176580 179142323 /nfs/dbraw/zinc/14/23/23/179142323.db2.gz LRPKUYIGHIAXRC-UHFFFAOYSA-N 0 0 242.278 2.189 50 0 BEAARN Cc1cccc(NCC(C)C)c1C(N)=O ZINC000096453369 179143710 /nfs/dbraw/zinc/14/37/10/179143710.db2.gz BAQOQWSPPGYQGU-UHFFFAOYSA-N 0 0 206.289 2.162 50 0 BEAARN CCN1C(=O)S[C@@H](Nc2ccccc2)C1=O ZINC000008794023 346688273 /nfs/dbraw/zinc/68/82/73/346688273.db2.gz VYZOGGLDVOBBOR-SECBINFHSA-N 0 0 236.296 2.140 50 0 BEAARN Cc1cccc(NCc2cncn2C)c1F ZINC000181127895 179152504 /nfs/dbraw/zinc/15/25/04/179152504.db2.gz NAGPPLJQNNCART-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN CC(C)c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000044853683 346803094 /nfs/dbraw/zinc/80/30/94/346803094.db2.gz NKQMKZZZYCKQRF-UHFFFAOYSA-N 0 0 221.304 2.206 50 0 BEAARN CCCC(=O)Nc1cccc([C@@H](C)O)c1 ZINC000000383812 168565932 /nfs/dbraw/zinc/56/59/32/168565932.db2.gz UOEKZINLYXBXOS-SECBINFHSA-N 0 0 207.273 2.479 50 0 BEAARN Cc1cccc(O[C@H](C)C(=O)N2CCCC2)c1 ZINC000012859795 179174881 /nfs/dbraw/zinc/17/48/81/179174881.db2.gz UPTMUVNDRWNFDT-GFCCVEGCSA-N 0 0 233.311 2.385 50 0 BEAARN COC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000016958017 347216169 /nfs/dbraw/zinc/21/61/69/347216169.db2.gz IJIUJEPORWHICY-JTQLQIEISA-N 0 0 208.257 2.244 50 0 BEAARN Cc1cccc([C@@](C)(O)c2c[nH]cn2)c1C ZINC000095933540 179191211 /nfs/dbraw/zinc/19/12/11/179191211.db2.gz LBUFLYABQRDXQB-CYBMUJFWSA-N 0 0 216.284 2.282 50 0 BEAARN CC[C@@H](C)NC(=O)NCCc1ccc(F)cc1 ZINC000013746287 362801939 /nfs/dbraw/zinc/80/19/39/362801939.db2.gz HYPHXZVJXXPVCX-SNVBAGLBSA-N 0 0 238.306 2.466 50 0 BEAARN CCCCS(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000013938118 362818460 /nfs/dbraw/zinc/81/84/60/362818460.db2.gz AWQHLHWGFPWMMM-NSHDSACASA-N 0 0 241.356 2.467 50 0 BEAARN C1=N[C@@H](Cc2cccc3ccccc32)NC1 ZINC000019318784 347321425 /nfs/dbraw/zinc/32/14/25/347321425.db2.gz GFYMNRJBXUHBEO-CQSZACIVSA-N 0 0 210.280 2.382 50 0 BEAARN CC(C)c1ccccc1O[C@H](C)C(N)=O ZINC000020040636 347403067 /nfs/dbraw/zinc/40/30/67/347403067.db2.gz ZQEQYQGCYOETIH-SECBINFHSA-N 0 0 207.273 2.063 50 0 BEAARN Cc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1O ZINC000010543058 179245736 /nfs/dbraw/zinc/24/57/36/179245736.db2.gz MGQBKQAMLIAAJN-UONOGXRCSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1ccccc1C(=O)Cc1ncc[nH]1 ZINC000036946676 179246500 /nfs/dbraw/zinc/24/65/00/179246500.db2.gz BLBGTUFQSURCOO-UHFFFAOYSA-N 0 0 200.241 2.144 50 0 BEAARN Cc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000017919569 179248244 /nfs/dbraw/zinc/24/82/44/179248244.db2.gz MVQZCCWEAFWRJS-TXEJJXNPSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1ccccc1C(=O)NC(=S)N1CCCC1 ZINC000000302330 179248499 /nfs/dbraw/zinc/24/84/99/179248499.db2.gz PXIYFOKGAAIIEC-UHFFFAOYSA-N 0 0 248.351 2.106 50 0 BEAARN Cc1ccccc1C(=O)NC(=S)NC(C)C ZINC000001003826 179248884 /nfs/dbraw/zinc/24/88/84/179248884.db2.gz SNYLFBPGMSTJKV-UHFFFAOYSA-N 0 0 236.340 2.008 50 0 BEAARN Cc1ccccc1C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000028574064 179251488 /nfs/dbraw/zinc/25/14/88/179251488.db2.gz HTJVLTMAKDBXCL-NSHDSACASA-N 0 0 243.310 2.220 50 0 BEAARN Cc1ccccc1CC(=O)n1cccn1 ZINC000013321325 179260295 /nfs/dbraw/zinc/26/02/95/179260295.db2.gz WKISSIQFQYVSDD-UHFFFAOYSA-N 0 0 200.241 2.074 50 0 BEAARN Cc1ccccc1CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000006700212 179260524 /nfs/dbraw/zinc/26/05/24/179260524.db2.gz MRZXFNQCLKKOQN-OCCSQVGLSA-N 0 0 247.338 2.221 50 0 BEAARN Cc1ccccc1CC(=O)NCC(F)(F)F ZINC000044723508 179257010 /nfs/dbraw/zinc/25/70/10/179257010.db2.gz HQRZJPUJMFSZIU-UHFFFAOYSA-N 0 0 231.217 2.216 50 0 BEAARN COC(=O)c1ccc(C(=O)OCC=C(C)C)o1 ZINC000195549706 347641107 /nfs/dbraw/zinc/64/11/07/347641107.db2.gz RHRHGIAULMSQOV-UHFFFAOYSA-N 0 0 238.239 2.189 50 0 BEAARN COCCCN(C)C(=O)N1CCCCC[C@H]1C ZINC000195576866 347648517 /nfs/dbraw/zinc/64/85/17/347648517.db2.gz WIWRHXVTARSHTK-GFCCVEGCSA-N 0 0 242.363 2.339 50 0 BEAARN C/C=C/C=C/COC(=O)c1cccc(C(N)=O)c1 ZINC000195577863 347648608 /nfs/dbraw/zinc/64/86/08/347648608.db2.gz QTXDYBFLSSMJTN-MQQKCMAXSA-N 0 0 245.278 2.075 50 0 BEAARN Cc1ccccc1CS(=O)(=O)c1ccccn1 ZINC000047620560 179287365 /nfs/dbraw/zinc/28/73/65/179287365.db2.gz GSECMKVURIPFTP-UHFFFAOYSA-N 0 0 247.319 2.364 50 0 BEAARN Cc1ccccc1C[NH2+][C@@H](C(=O)[O-])C(C)C ZINC000019787734 179282459 /nfs/dbraw/zinc/28/24/59/179282459.db2.gz GYQBUPQNQJAUQR-GFCCVEGCSA-N 0 0 221.300 2.194 50 0 BEAARN Cc1ccccc1Cc1nnc(N)s1 ZINC000002167971 179293665 /nfs/dbraw/zinc/29/36/65/179293665.db2.gz FXMPPKHZLHTOHO-UHFFFAOYSA-N 0 0 205.286 2.020 50 0 BEAARN Cc1ccccc1Cc1ccc(=O)[nH]n1 ZINC000004024494 179293012 /nfs/dbraw/zinc/29/30/12/179293012.db2.gz IVCYIKRKYFXUNG-UHFFFAOYSA-N 0 0 200.241 2.081 50 0 BEAARN Cc1ccccc1NC(=O)c1csnn1 ZINC000001361023 179303570 /nfs/dbraw/zinc/30/35/70/179303570.db2.gz ROLAVJYNVALDJF-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000000142305 179309077 /nfs/dbraw/zinc/30/90/77/179309077.db2.gz PNTMIRLQNULKGO-UHFFFAOYSA-N 0 0 221.300 2.289 50 0 BEAARN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)[O-] ZINC000049354077 179321958 /nfs/dbraw/zinc/32/19/58/179321958.db2.gz RGMGHSPKOOBDDI-NXEZZACHSA-N 0 0 207.273 2.119 50 0 BEAARN CCOC(=O)Cc1cc2cccnc2nc1C ZINC000217751096 347936124 /nfs/dbraw/zinc/93/61/24/347936124.db2.gz NKICWNWVLLRGQU-UHFFFAOYSA-N 0 0 230.267 2.044 50 0 BEAARN Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(N)=O ZINC000096491720 179340887 /nfs/dbraw/zinc/34/08/87/179340887.db2.gz ZXOQMAGYOWQJMB-ZDUSSCGKSA-N 0 0 234.343 2.157 50 0 BEAARN CCc1cccn2c(=O)c(C)c(Cl)nc12 ZINC000725244251 537996569 /nfs/dbraw/zinc/99/65/69/537996569.db2.gz GTWDEDXBLYBNSI-UHFFFAOYSA-N 0 0 222.675 2.219 50 0 BEAARN CCc1c(Cl)nc2c(F)cccn2c1=O ZINC000725244795 537997752 /nfs/dbraw/zinc/99/77/52/537997752.db2.gz MBUACIBVMUKGJW-UHFFFAOYSA-N 0 0 226.638 2.049 50 0 BEAARN Cc1cccn(Cc2ccccc2F)c1=O ZINC000069814528 179352231 /nfs/dbraw/zinc/35/22/31/179352231.db2.gz ZKJUGZMVKIGRAO-UHFFFAOYSA-N 0 0 217.243 2.344 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@]1(C)c1ccccc1 ZINC000669382482 537998311 /nfs/dbraw/zinc/99/83/11/537998311.db2.gz IGBKIUKIYLOSFX-CHWSQXEVSA-N 0 0 220.268 2.254 50 0 BEAARN CC(=O)Nc1cc2cc(Cl)ccc2oc1=O ZINC000005726241 187391989 /nfs/dbraw/zinc/39/19/89/187391989.db2.gz XWCGNDVZSCUSIC-UHFFFAOYSA-N 0 0 237.642 2.405 50 0 BEAARN Cc1ccnc(NC(=O)C2CC(F)(F)C2)c1 ZINC000336402764 179434501 /nfs/dbraw/zinc/43/45/01/179434501.db2.gz OHEYENISPJLICE-UHFFFAOYSA-N 0 0 226.226 2.374 50 0 BEAARN Cc1ccsc1CNC(=O)c1cccn1C ZINC000036398217 179547354 /nfs/dbraw/zinc/54/73/54/179547354.db2.gz XBEANMAYLGPLLO-UHFFFAOYSA-N 0 0 234.324 2.325 50 0 BEAARN Cc1ccsc1C1N=NC(=S)N1C ZINC000016958073 179534697 /nfs/dbraw/zinc/53/46/97/179534697.db2.gz RTCVITXDIDIAJZ-UHFFFAOYSA-N 0 0 211.315 2.141 50 0 BEAARN Cc1noc(C)c1CNc1ncc(C)c(C)n1 ZINC000132771516 179636448 /nfs/dbraw/zinc/63/64/48/179636448.db2.gz ZPCSSBPTPIMQDR-UHFFFAOYSA-N 0 0 232.287 2.310 50 0 BEAARN O=C(Nc1ccc(O)cc1F)c1ccoc1 ZINC000082879350 348917900 /nfs/dbraw/zinc/91/79/00/348917900.db2.gz YBVDMNCKOZBATM-UHFFFAOYSA-N 0 0 221.187 2.377 50 0 BEAARN CC(C)COc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000000266092 187407970 /nfs/dbraw/zinc/40/79/70/187407970.db2.gz SBXKCNIGZXWFKL-GFCCVEGCSA-N 0 0 237.299 2.196 50 0 biogenic BEAARN COc1ccc(C(=O)c2ccccn2)cc1 ZINC000001673541 187408977 /nfs/dbraw/zinc/40/89/77/187408977.db2.gz ZYZQOYSKLICWGX-UHFFFAOYSA-N 0 0 213.236 2.321 50 0 BEAARN CCn1ccc(C(=O)Nc2ccccc2)n1 ZINC000006730509 187412919 /nfs/dbraw/zinc/41/29/19/187412919.db2.gz RUZJMWXBCJUKFD-UHFFFAOYSA-N 0 0 215.256 2.155 50 0 BEAARN COc1ccc(Br)c(F)c1C=O ZINC000075914838 187425232 /nfs/dbraw/zinc/42/52/32/187425232.db2.gz ZFSQBXCQHSTLJT-UHFFFAOYSA-N 0 0 233.036 2.409 50 0 BEAARN CC(C)C[C@H](CO)Nc1cccc(F)n1 ZINC000078661357 187426785 /nfs/dbraw/zinc/42/67/85/187426785.db2.gz LUINXYVQUTXEND-SECBINFHSA-N 0 0 212.268 2.040 50 0 BEAARN Cc1csc([C@@H](NC(=O)C2CC2)C2CC2)n1 ZINC000089705337 179795411 /nfs/dbraw/zinc/79/54/11/179795411.db2.gz GXYBRWQRPQDOLZ-JTQLQIEISA-N 0 0 236.340 2.429 50 0 BEAARN COC(=O)[C@H](n1cccc1C=O)C(C)(C)C ZINC000001393902 190971645 /nfs/dbraw/zinc/97/16/45/190971645.db2.gz WSYFPZWSCFVDKQ-JTQLQIEISA-N 0 0 223.272 2.061 50 0 BEAARN Cc1csc2nc3ccccc3c(=O)n12 ZINC000000527297 179799733 /nfs/dbraw/zinc/79/97/33/179799733.db2.gz TUAOQBOAJZTFKE-UHFFFAOYSA-N 0 0 216.265 2.218 50 0 BEAARN COC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000006524436 349295274 /nfs/dbraw/zinc/29/52/74/349295274.db2.gz FSLKEMBXNJKLCW-SSDOTTSWSA-N 0 0 214.648 2.280 50 0 BEAARN Cc1nc(CC(=O)Nc2nccs2)cs1 ZINC000007995575 179928463 /nfs/dbraw/zinc/92/84/63/179928463.db2.gz RNYZYLROTKYDPA-UHFFFAOYSA-N 0 0 239.325 2.089 50 0 BEAARN COc1ccc(CNc2ncccn2)c(OC)c1 ZINC000070141403 191003052 /nfs/dbraw/zinc/00/30/52/191003052.db2.gz LYKHJQWZCXZBTG-UHFFFAOYSA-N 0 0 245.282 2.106 50 0 BEAARN Cc1nc(CCNC(=O)c2ccccc2)cs1 ZINC000004034694 179937837 /nfs/dbraw/zinc/93/78/37/179937837.db2.gz WPMFJMVXWJPJRK-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(C)C ZINC000076006907 191005954 /nfs/dbraw/zinc/00/59/54/191005954.db2.gz LKVFLUPETWHODK-CYBMUJFWSA-N 0 0 232.283 2.209 50 0 BEAARN CC(C)(O)c1cccc(Br)n1 ZINC000085221021 191008479 /nfs/dbraw/zinc/00/84/79/191008479.db2.gz OXSDDDKLMCHNHF-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 BEAARN CCCCC(=O)N(C)Cc1ccnn1CC ZINC000028219327 168608576 /nfs/dbraw/zinc/60/85/76/168608576.db2.gz CUUVLKQUCFLDGB-UHFFFAOYSA-N 0 0 223.320 2.052 50 0 BEAARN O[C@@H]1C=CCC2(CCCC2)[C@@]12CCCO2 ZINC000043198882 323236707 /nfs/dbraw/zinc/23/67/07/323236707.db2.gz YJIXCWYIXRYXMS-DGCLKSJQSA-N 0 0 208.301 2.417 50 0 BEAARN O[C@@H]1CCC23CC=CC2(C=CC3)CC[C@@H]1O ZINC000043198696 323236845 /nfs/dbraw/zinc/23/68/45/323236845.db2.gz UVKDTDKUCFDDHB-MRFVTOPCSA-N 0 0 220.312 2.175 50 0 BEAARN Cc1nc(Cl)cc(C(=O)NC2CCCC2)n1 ZINC000096182680 179987805 /nfs/dbraw/zinc/98/78/05/179987805.db2.gz LDGISUMRWMSART-UHFFFAOYSA-N 0 0 239.706 2.111 50 0 BEAARN O=C1CCCc2oc3cccc(F)c3c(=O)c21 ZINC000005770746 350104444 /nfs/dbraw/zinc/10/44/44/350104444.db2.gz OEVJETMSMZGBJS-UHFFFAOYSA-N 0 0 232.210 2.451 50 0 BEAARN Cc1nc(Cn2ccnc2C)sc1C ZINC000087397323 179992089 /nfs/dbraw/zinc/99/20/89/179992089.db2.gz UXTMIDCBBVSLGS-UHFFFAOYSA-N 0 0 207.302 2.313 50 0 BEAARN CN(C)c1cccc(NC(=O)c2ccncc2)c1 ZINC000003171678 350086294 /nfs/dbraw/zinc/08/62/94/350086294.db2.gz WJPQBQYRZCQGRJ-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN COc1ccc(/C=C2/C=CC(=O)O2)cc1 ZINC000012341293 350090327 /nfs/dbraw/zinc/09/03/27/350090327.db2.gz IVMVTSFHCWLPGI-FLIBITNWSA-N 0 0 202.209 2.149 50 0 BEAARN Cc1nc([C@@H](C)NC(=O)Nc2ccccc2)no1 ZINC000225836861 180034717 /nfs/dbraw/zinc/03/47/17/180034717.db2.gz PXMNUJAPSQIVRR-MRVPVSSYSA-N 0 0 246.270 2.261 50 0 BEAARN O=C(CCn1ccc2ccccc21)NC1CC1 ZINC000008077216 350123197 /nfs/dbraw/zinc/12/31/97/350123197.db2.gz FZBXFNQBZXUEGP-UHFFFAOYSA-N 0 0 228.295 2.310 50 0 BEAARN CS(=O)(=O)NC1(c2cccs2)CCCC1 ZINC000390827949 350126331 /nfs/dbraw/zinc/12/63/31/350126331.db2.gz MIVMLKUGZOVRTB-UHFFFAOYSA-N 0 0 245.369 2.067 50 0 BEAARN Cc1nc2c(s1)CN(C(=O)C(C)(C)C)CC2 ZINC000041194324 180073979 /nfs/dbraw/zinc/07/39/79/180073979.db2.gz ZBVBZNCELQXRSQ-UHFFFAOYSA-N 0 0 238.356 2.382 50 0 BEAARN Cc1nc2cc(C(=O)N(C)C3CC3)ccc2n1C ZINC000058401269 180075412 /nfs/dbraw/zinc/07/54/12/180075412.db2.gz AQOFFWHUFGLZEY-UHFFFAOYSA-N 0 0 243.310 2.116 50 0 BEAARN Cc1ccoc1C(=O)N(C)[C@H](C)C1CC1 ZINC000058308776 187439176 /nfs/dbraw/zinc/43/91/76/187439176.db2.gz VAMZWKSMYGNFLJ-SECBINFHSA-N 0 0 207.273 2.459 50 0 BEAARN O=C(C1CCCC1)N1CC[C@@H](OCC2CC2)C1 ZINC000390832222 350133747 /nfs/dbraw/zinc/13/37/47/350133747.db2.gz YCHAFTZUHHCURX-CYBMUJFWSA-N 0 0 237.343 2.204 50 0 BEAARN Cc1nc2cc(NC(=O)NC3CC3)ccc2n1C ZINC000000471144 180081266 /nfs/dbraw/zinc/08/12/66/180081266.db2.gz UEMKTOWSJSKTJJ-UHFFFAOYSA-N 0 0 244.298 2.166 50 0 BEAARN Cc1nc2ccc(C(=O)NC(C)C)cc2nc1C ZINC000028539746 180089905 /nfs/dbraw/zinc/08/99/05/180089905.db2.gz LKJVWCDBGJCSCL-UHFFFAOYSA-N 0 0 243.310 2.385 50 0 BEAARN CC(=O)c1c(-c2ccc(O)c(C)c2)cnn1C ZINC000426401901 191028348 /nfs/dbraw/zinc/02/83/48/191028348.db2.gz PGEUXVIXGGEDGJ-UHFFFAOYSA-N 0 0 230.267 2.304 50 0 BEAARN Cc1ccoc1C(=O)N(C)[C@@H](C)C1CC1 ZINC000058308773 187439661 /nfs/dbraw/zinc/43/96/61/187439661.db2.gz VAMZWKSMYGNFLJ-VIFPVBQESA-N 0 0 207.273 2.459 50 0 BEAARN Cc1nc2ncc(Br)cn2c1C ZINC000032915199 180114234 /nfs/dbraw/zinc/11/42/34/180114234.db2.gz OKXHGGYMMHZZQG-UHFFFAOYSA-N 0 0 226.077 2.109 50 0 BEAARN Cc1nc2n(n1)[C@@H](c1cccs1)C[C@@H](C)N2 ZINC000095471677 180114267 /nfs/dbraw/zinc/11/42/67/180114267.db2.gz HMXQNWJJFLYVST-VXNVDRBHSA-N 0 0 234.328 2.442 50 0 BEAARN Cc1nc2ccccc2c(=O)n1CC(C)C ZINC000000185978 180101563 /nfs/dbraw/zinc/10/15/63/180101563.db2.gz HQWFXVQOKBUOMM-UHFFFAOYSA-N 0 0 216.284 2.361 50 0 BEAARN Cc1nc2ocnc2cc1Br ZINC000026460295 180115827 /nfs/dbraw/zinc/11/58/27/180115827.db2.gz BEWVCWCXAKFSDR-UHFFFAOYSA-N 0 0 213.034 2.294 50 0 BEAARN Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000018117772 180118125 /nfs/dbraw/zinc/11/81/25/180118125.db2.gz ULEHMWWQIZHLHN-UHFFFAOYSA-N 0 0 220.297 2.172 50 0 in-vitro BEAARN Cc1nc[nH]c1CN(C)Cc1cc(C(C)C)on1 ZINC000097213008 180120800 /nfs/dbraw/zinc/12/08/00/180120800.db2.gz OCJNVKSFXYRYJZ-UHFFFAOYSA-N 0 0 248.330 2.462 50 0 BEAARN CC(C)(C)OC(=O)N[C@H](CO)CC1CCCC1 ZINC000098209895 191061240 /nfs/dbraw/zinc/06/12/40/191061240.db2.gz ZLEBLWDLKHDYEW-NSHDSACASA-N 0 0 243.347 2.452 50 0 BEAARN Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cn1 ZINC000105673357 191068075 /nfs/dbraw/zinc/06/80/75/191068075.db2.gz DFVYSXFNAAXTPS-YUSALJHKSA-N 0 0 247.342 2.340 50 0 BEAARN O=C(NC[C@H]1Cc2ccccc2O1)c1ccoc1 ZINC000033117061 350222644 /nfs/dbraw/zinc/22/26/44/350222644.db2.gz GVAUMAXRZOCTHG-GFCCVEGCSA-N 0 0 243.262 2.013 50 0 BEAARN C[C@H]1CCCCN1C(=O)CCc1cccnc1 ZINC000032747827 350207751 /nfs/dbraw/zinc/20/77/51/350207751.db2.gz DVQLDHPAZCPTPC-LBPRGKRZSA-N 0 0 232.327 2.415 50 0 BEAARN CC(=O)c1c(C)cc(C)c(C(C)=O)c1O ZINC000068675284 187441550 /nfs/dbraw/zinc/44/15/50/187441550.db2.gz FGTWYZVCQHZFQX-UHFFFAOYSA-N 0 0 206.241 2.414 50 0 BEAARN Cc1nccc(-c2ccccc2)c1C(N)=O ZINC000072416578 180180197 /nfs/dbraw/zinc/18/01/97/180180197.db2.gz WPQXBJSQZTXTKT-UHFFFAOYSA-N 0 0 212.252 2.156 50 0 BEAARN Cc1ncccc1OCCO[C@H]1CCCCO1 ZINC000170616333 180227761 /nfs/dbraw/zinc/22/77/61/180227761.db2.gz ZRGKLJXPUQQYJV-ZDUSSCGKSA-N 0 0 237.299 2.312 50 0 BEAARN Cc1ncccc1OCCO[C@@H]1CCCCO1 ZINC000170616332 180228478 /nfs/dbraw/zinc/22/84/78/180228478.db2.gz ZRGKLJXPUQQYJV-CYBMUJFWSA-N 0 0 237.299 2.312 50 0 BEAARN Cc1ncn(Cc2nccn2C(F)F)c1C ZINC000071904314 180289817 /nfs/dbraw/zinc/28/98/17/180289817.db2.gz MEJAGGGIZOHTKL-UHFFFAOYSA-N 0 0 226.230 2.140 50 0 BEAARN Cc1nsc(NC(=O)c2ccccc2C)n1 ZINC000027664584 350313581 /nfs/dbraw/zinc/31/35/81/350313581.db2.gz IRDMDFLWGCPZCA-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC[C@@H](C)C(=O)NOCc1ccccc1 ZINC000040488088 350367768 /nfs/dbraw/zinc/36/77/68/350367768.db2.gz BAXQFDFCFWTGPI-SNVBAGLBSA-N 0 0 207.273 2.281 50 0 BEAARN Cc1cc(-c2ccccc2)n2ncnc2n1 ZINC000002999615 350350795 /nfs/dbraw/zinc/35/07/95/350350795.db2.gz DTGGUFCUGLHNTE-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN Cc1ncsc1C(=O)NCc1cccs1 ZINC000040529034 180305195 /nfs/dbraw/zinc/30/51/95/180305195.db2.gz WJSXPCUXIJZREY-UHFFFAOYSA-N 0 0 238.337 2.443 50 0 BEAARN CCc1nc(C)ccc1OCCCOC ZINC000225585227 350366618 /nfs/dbraw/zinc/36/66/18/350366618.db2.gz SFDYDHIKZOJUPH-UHFFFAOYSA-N 0 0 209.289 2.368 50 0 BEAARN COc1nc(-c2cccc([C@H](C)OC)c2)nn1C ZINC000426521599 191096061 /nfs/dbraw/zinc/09/60/61/191096061.db2.gz ZABUJENUCDSVDT-VIFPVBQESA-N 0 0 247.298 2.198 50 0 BEAARN Cc1ccc(NC(=O)N[C@@H](C)CO)c(Cl)c1 ZINC000040525659 350375125 /nfs/dbraw/zinc/37/51/25/350375125.db2.gz HRIIATCDUWWTOT-QMMMGPOBSA-N 0 0 242.706 2.151 50 0 BEAARN Cc1nn(-c2ccccc2)c2ncc(N)cc12 ZINC000033464610 180331374 /nfs/dbraw/zinc/33/13/74/180331374.db2.gz GJNNMWSYRCMPIE-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)NCc1cccs1 ZINC000029709577 180334093 /nfs/dbraw/zinc/33/40/93/180334093.db2.gz FNLNFICGMWMDRD-UHFFFAOYSA-N 0 0 249.339 2.028 50 0 BEAARN Cc1nn(C)c(Cl)c1C(=O)NC1CCCC1 ZINC000014267105 180349368 /nfs/dbraw/zinc/34/93/68/180349368.db2.gz ILXGNPBAMJRNAA-UHFFFAOYSA-N 0 0 241.722 2.054 50 0 BEAARN Cc1nn(C)c(C)c1CNC(=O)c1cccs1 ZINC000041536004 180339621 /nfs/dbraw/zinc/33/96/21/180339621.db2.gz QAWWROGEGOLXJU-UHFFFAOYSA-N 0 0 249.339 2.028 50 0 BEAARN Cc1nn(C)c2c1[C@H](c1cccs1)CC(=O)N2 ZINC000066091457 180362093 /nfs/dbraw/zinc/36/20/93/180362093.db2.gz CKTZTEOQYZLGDU-QMMMGPOBSA-N 0 0 247.323 2.264 50 0 BEAARN CCCCC(=O)Nc1nc(C)cc(C)n1 ZINC000002048802 168629641 /nfs/dbraw/zinc/62/96/41/168629641.db2.gz LZQKQUQVIAIVGL-UHFFFAOYSA-N 0 0 207.277 2.222 50 0 BEAARN CCCCO[C@H](O)C(Cl)(Cl)Cl ZINC000034154406 350463443 /nfs/dbraw/zinc/46/34/43/350463443.db2.gz XBGOHDBCXGXPBA-YFKPBYRVSA-N 0 0 221.511 2.492 50 0 BEAARN Cc1nn(C)cc1CNc1ccccc1F ZINC000002536166 180376274 /nfs/dbraw/zinc/37/62/74/180376274.db2.gz YZQSCDXIKNNLJM-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN NS(=O)(=O)c1ccccc1Oc1ccccc1 ZINC000034588025 350471962 /nfs/dbraw/zinc/47/19/62/350471962.db2.gz GCSIJZVYEPPSDF-UHFFFAOYSA-N 0 0 249.291 2.126 50 0 BEAARN Cc1nn(C)cc1[C@@H](O)C(Cl)(Cl)Cl ZINC000074934391 180381173 /nfs/dbraw/zinc/38/11/73/180381173.db2.gz VITZQIRSDLPQDD-ZCFIWIBFSA-N 0 0 243.521 2.132 50 0 BEAARN C[C@@H](C(=O)N1CCCC1)c1ccsc1 ZINC000089913457 362962535 /nfs/dbraw/zinc/96/25/35/362962535.db2.gz BSLBQXCZRUFYEQ-SECBINFHSA-N 0 0 209.314 2.474 50 0 BEAARN Cc1nn(CCC(=O)NC2CC2)c2ccccc12 ZINC000057279376 180387770 /nfs/dbraw/zinc/38/77/70/180387770.db2.gz ZTCBLGIKXVWEPZ-UHFFFAOYSA-N 0 0 243.310 2.013 50 0 BEAARN CCCn1cnc2sc(CC)cc2c1=O ZINC000000148808 191107981 /nfs/dbraw/zinc/10/79/81/191107981.db2.gz BHUSXYKIYMTFCT-UHFFFAOYSA-N 0 0 222.313 2.430 50 0 BEAARN Cc1nnc(N(C)CCCOc2ccccc2)o1 ZINC000283447667 180421199 /nfs/dbraw/zinc/42/11/99/180421199.db2.gz DJVOKWLRPCZYHF-UHFFFAOYSA-N 0 0 247.298 2.283 50 0 BEAARN CC(=O)N(C)[C@H]1CCCc2nc(C)sc21 ZINC000089721546 187453524 /nfs/dbraw/zinc/45/35/24/187453524.db2.gz QXWDGDNNAWYGOM-JTQLQIEISA-N 0 0 224.329 2.307 50 0 BEAARN CC(=O)Oc1ccc2ncnc(Cl)c2c1 ZINC000091297201 187453837 /nfs/dbraw/zinc/45/38/37/187453837.db2.gz LSBGXLOBLBWVEN-UHFFFAOYSA-N 0 0 222.631 2.209 50 0 BEAARN CCOc1cccc(NC(=O)[C@@H]2C[C@H]2C)n1 ZINC000076093329 362970997 /nfs/dbraw/zinc/97/09/97/362970997.db2.gz JPUURTLIXAVHNS-RKDXNWHRSA-N 0 0 220.272 2.075 50 0 BEAARN Cc1nnc2n1N=CC=C(C(C)(C)C)S2 ZINC000004283273 180450694 /nfs/dbraw/zinc/45/06/94/180450694.db2.gz VEXWGFSTMBBMBK-UHFFFAOYSA-N 0 0 222.317 2.456 50 0 BEAARN O=C(O[C@H]1CCSC1)c1cccnc1Cl ZINC000076090176 362970744 /nfs/dbraw/zinc/97/07/44/362970744.db2.gz JVUWNSOSYOKPSI-ZETCQYMHSA-N 0 0 243.715 2.397 50 0 BEAARN Cc1noc(-c2ccccc2)c1CCO ZINC000006825026 180459612 /nfs/dbraw/zinc/45/96/12/180459612.db2.gz CTRGNEVRQGHWCZ-UHFFFAOYSA-N 0 0 203.241 2.185 50 0 BEAARN Cc1ncccc1C(=O)N(C)c1ccccn1 ZINC000098012566 187457697 /nfs/dbraw/zinc/45/76/97/187457697.db2.gz SWOJWYLZBJTLNN-UHFFFAOYSA-N 0 0 227.267 2.062 50 0 BEAARN Cc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000000031463 365984096 /nfs/dbraw/zinc/98/40/96/365984096.db2.gz HHOAPBHLYNWKTL-UHFFFAOYSA-N 0 0 232.327 2.419 50 0 BEAARN Cc1noc(C)c1CNC(=O)Nc1cccnc1 ZINC000095955115 180472153 /nfs/dbraw/zinc/47/21/53/180472153.db2.gz DKYVNHISCFIAHQ-UHFFFAOYSA-N 0 0 246.270 2.008 50 0 BEAARN Cc1noc(C)c1CNc1ccc(C(N)=O)cc1 ZINC000020252943 180474026 /nfs/dbraw/zinc/47/40/26/180474026.db2.gz DSNFDDDFFQHUFI-UHFFFAOYSA-N 0 0 245.282 2.002 50 0 BEAARN Cc1noc(C)c1CS[C@@H](C)C(=O)N(C)C ZINC000096946812 180475211 /nfs/dbraw/zinc/47/52/11/180475211.db2.gz DUHDWARLFZRUAD-VIFPVBQESA-N 0 0 242.344 2.001 50 0 BEAARN CCN(Cc1cc(C)on1)Cc1ccccn1 ZINC000089969317 362977060 /nfs/dbraw/zinc/97/70/60/362977060.db2.gz LTNDJWWZAVMUPB-UHFFFAOYSA-N 0 0 231.299 2.400 50 0 BEAARN Cc1noc2c1c(=O)[nH]nc2Cc1ccccc1 ZINC000034343165 180501649 /nfs/dbraw/zinc/50/16/49/180501649.db2.gz PWXZIABNGPGMDN-UHFFFAOYSA-N 0 0 241.250 2.223 50 0 BEAARN Cc1noc(NC(=O)c2cccc(Cl)c2)n1 ZINC000042702712 180493748 /nfs/dbraw/zinc/49/37/48/180493748.db2.gz WULZPGBHHVRHCG-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN Cc1c(O)ccc(-c2csc(N)n2)c1O ZINC000016991264 362981072 /nfs/dbraw/zinc/98/10/72/362981072.db2.gz QLARRMZZRCSUQS-UHFFFAOYSA-N 0 0 222.269 2.112 50 0 BEAARN CCOc1cccc(C(=O)N2CCCC2)c1 ZINC000004750038 191120642 /nfs/dbraw/zinc/12/06/42/191120642.db2.gz OWVSUBZSBGHNLK-UHFFFAOYSA-N 0 0 219.284 2.321 50 0 BEAARN CC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000004785233 187466436 /nfs/dbraw/zinc/46/64/36/187466436.db2.gz VGXMWNVSOPKUDJ-UHFFFAOYSA-N 0 0 236.290 2.249 50 0 BEAARN CC(=O)NCCSc1cc2ccccc2[nH]1 ZINC000002171592 187469724 /nfs/dbraw/zinc/46/97/24/187469724.db2.gz KIBKEWDYWJJDCR-UHFFFAOYSA-N 0 0 234.324 2.396 50 0 BEAARN COC/C=C/COCc1ccc(OC)cc1 ZINC000004800752 191121357 /nfs/dbraw/zinc/12/13/57/191121357.db2.gz FNLPEOSGQFXDTD-ONEGZZNKSA-N 0 0 222.284 2.414 50 0 BEAARN Cc1nsc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)n1 ZINC000089721427 180523296 /nfs/dbraw/zinc/52/32/96/180523296.db2.gz SXVLHPQRXWXODY-OPRDCNLKSA-N 0 0 239.344 2.216 50 0 BEAARN COCc1ccc(Br)cc1N ZINC000160514164 187472764 /nfs/dbraw/zinc/47/27/64/187472764.db2.gz QVVSHFGXLUVLTB-UHFFFAOYSA-N 0 0 216.078 2.178 50 0 BEAARN CC(=O)c1cc(F)cc(Br)c1O ZINC000052066181 350901666 /nfs/dbraw/zinc/90/16/66/350901666.db2.gz OONDYRNMURZSPQ-UHFFFAOYSA-N 0 0 233.036 2.496 50 0 BEAARN Clc1cc(-c2ccccc2)nc2ncnn21 ZINC000004228048 180574488 /nfs/dbraw/zinc/57/44/88/180574488.db2.gz PHVJNOYGIOXBRH-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN Clc1ccc(-c2cnc3nonc3n2)cc1 ZINC000004487988 180577375 /nfs/dbraw/zinc/57/73/75/180577375.db2.gz SPYVPDVCOMCERU-UHFFFAOYSA-N 0 0 232.630 2.333 50 0 BEAARN CC1=C2CCC[C@H]3COC(=O)[C@@]23CCC1=O ZINC000005950347 351336695 /nfs/dbraw/zinc/33/66/95/351336695.db2.gz LAYZUBRXCUVPSM-TVQRCGJNSA-N 0 0 220.268 2.009 50 0 BEAARN CC[C@H](COC)N[C@H](c1nc(C)no1)C(C)C ZINC000168067043 351278220 /nfs/dbraw/zinc/27/82/20/351278220.db2.gz ZYKBHYVKGYWELB-MNOVXSKESA-N 0 0 241.335 2.090 50 0 BEAARN CONC(=O)c1ccc2ccccc2c1 ZINC000005997981 351365869 /nfs/dbraw/zinc/36/58/69/351365869.db2.gz RRZFDZZYQIHCNK-UHFFFAOYSA-N 0 0 201.225 2.131 50 0 BEAARN Cc1ccc2[nH]c3c(c2c1)CCN(C)C3 ZINC000000215180 363049561 /nfs/dbraw/zinc/04/95/61/363049561.db2.gz NSDIVZYSCVJIFL-UHFFFAOYSA-N 0 0 200.285 2.464 50 0 BEAARN COc1cc(C=O)cc(Br)c1OC ZINC000000056431 363044551 /nfs/dbraw/zinc/04/45/51/363044551.db2.gz ICVODPFGWCUVJC-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN Cc1[nH]c2c(cccc2C(=O)N(C)C)c1C ZINC000024642990 187493320 /nfs/dbraw/zinc/49/33/20/187493320.db2.gz RJSGAOOBGJTIIQ-UHFFFAOYSA-N 0 0 216.284 2.487 50 0 BEAARN Cn1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC000032819931 180631593 /nfs/dbraw/zinc/63/15/93/180631593.db2.gz WKULTAVBWOBWGL-AAEUAGOBSA-N 0 0 247.342 2.215 50 0 BEAARN CC(=O)Nc1nnc(-c2cccc(Cl)c2)o1 ZINC000012514752 351792301 /nfs/dbraw/zinc/79/23/01/351792301.db2.gz DYEKIHUJYYWZST-UHFFFAOYSA-N 0 0 237.646 2.348 50 0 BEAARN Cn1cc(CN2CCc3cc(F)ccc32)cn1 ZINC000330032569 180645663 /nfs/dbraw/zinc/64/56/63/180645663.db2.gz PFYBRQVCRPLCBL-UHFFFAOYSA-N 0 0 231.274 2.122 50 0 BEAARN COc1ccc(OCCn2cc(C)cn2)cc1 ZINC000096428975 187500811 /nfs/dbraw/zinc/50/08/11/187500811.db2.gz PLXNQLNDHXOKAH-UHFFFAOYSA-N 0 0 232.283 2.279 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000032903800 187536746 /nfs/dbraw/zinc/53/67/46/187536746.db2.gz UFTXJUZJSOMUAQ-UWVGGRQHSA-N 0 0 249.358 2.155 50 0 BEAARN CN(CC(=O)NC1CCCC1)c1ccccc1 ZINC000012536910 351994585 /nfs/dbraw/zinc/99/45/85/351994585.db2.gz NRMSHXOFXMSYOK-UHFFFAOYSA-N 0 0 232.327 2.182 50 0 BEAARN CC(C)CC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000012545638 352078009 /nfs/dbraw/zinc/07/80/09/352078009.db2.gz KISBQYGUSHYDDJ-UHFFFAOYSA-N 0 0 244.298 2.252 50 0 BEAARN Cn1cc2nc(Cl)nc(Cl)c2c1 ZINC000095742992 180678276 /nfs/dbraw/zinc/67/82/76/180678276.db2.gz NFNRZFJLXGDBDI-UHFFFAOYSA-N 0 0 202.044 2.275 50 0 BEAARN CCCc1cc(C(=O)NC(C)(C)CC)[nH]n1 ZINC000044249380 352230592 /nfs/dbraw/zinc/23/05/92/352230592.db2.gz YVMATGIXSCLEHX-UHFFFAOYSA-N 0 0 223.320 2.281 50 0 BEAARN CC(C)(C)NC(=O)NCc1ccsc1 ZINC000038586619 363179631 /nfs/dbraw/zinc/17/96/31/363179631.db2.gz LLYZIXUOZWOYFP-UHFFFAOYSA-N 0 0 212.318 2.346 50 0 BEAARN CC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000334599807 352351482 /nfs/dbraw/zinc/35/14/82/352351482.db2.gz DEUJCRBNZUHRHB-MRVPVSSYSA-N 0 0 229.201 2.227 50 0 BEAARN COc1cnc2c(Br)c[nH]c2c1 ZINC000044712959 352384411 /nfs/dbraw/zinc/38/44/11/352384411.db2.gz ONCNRXIIUGCZSG-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CC(C)c1cc(C(=O)N2CCCCC2)[nH]n1 ZINC000044818087 352436817 /nfs/dbraw/zinc/43/68/17/352436817.db2.gz GTWHULHBDCCKDH-UHFFFAOYSA-N 0 0 221.304 2.159 50 0 BEAARN Cc1cnc(C(=O)N(CCC(C)C)C2CC2)cn1 ZINC000044892094 352481130 /nfs/dbraw/zinc/48/11/30/352481130.db2.gz AIRCAPHTYZGUQM-UHFFFAOYSA-N 0 0 247.342 2.436 50 0 BEAARN CCCCCCSc1nc(O)cc(=O)n1C ZINC000016513251 168673307 /nfs/dbraw/zinc/67/33/07/168673307.db2.gz WOUDMSYMXWLODR-UHFFFAOYSA-N 0 0 242.344 2.158 50 0 BEAARN CCOC(=O)C(=O)Cc1ccc(Cl)cc1 ZINC000002387800 187756287 /nfs/dbraw/zinc/75/62/87/187756287.db2.gz SSYWONPQBLHLSL-UHFFFAOYSA-N 0 0 226.659 2.015 50 0 BEAARN CCCCOc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000002568849 187756519 /nfs/dbraw/zinc/75/65/19/187756519.db2.gz MBSPCPOKMWFVAG-GFCCVEGCSA-N 0 0 237.299 2.340 50 0 BEAARN CC(=O)Oc1ccc(-c2csc(N)n2)cc1 ZINC000004245279 187757040 /nfs/dbraw/zinc/75/70/40/187757040.db2.gz PQXZUTQWKRTPBP-UHFFFAOYSA-N 0 0 234.280 2.318 50 0 BEAARN CC(C)CC[C@H]1SC(=O)N(C)C1=O ZINC000004089235 352562689 /nfs/dbraw/zinc/56/26/89/352562689.db2.gz DWTGZSAXBHCXIQ-SSDOTTSWSA-N 0 0 201.291 2.116 50 0 BEAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C=O ZINC000004826682 187758153 /nfs/dbraw/zinc/75/81/53/187758153.db2.gz YNUVAJRGRQBLLB-OUAUKWLOSA-N 0 0 212.289 2.189 50 0 BEAARN Cc1ccc(/C=C/C(=O)NCc2cccnc2)o1 ZINC000005935870 187758433 /nfs/dbraw/zinc/75/84/33/187758433.db2.gz MWARITHTQLKVCP-VOTSOKGWSA-N 0 0 242.278 2.313 50 0 BEAARN COc1cc(OC)cc(C2N=NC(=S)O2)c1 ZINC000006008371 187759271 /nfs/dbraw/zinc/75/92/71/187759271.db2.gz RETOHBVQLQTXEU-UHFFFAOYSA-N 0 0 238.268 2.043 50 0 BEAARN CC(C)(C)c1nccc(Nc2cn[nH]c2)n1 ZINC000078968252 187792541 /nfs/dbraw/zinc/79/25/41/187792541.db2.gz CASDDACTFJCQQQ-UHFFFAOYSA-N 0 0 217.276 2.241 50 0 BEAARN CC(C)CNC(=O)c1ccc(Cl)nc1 ZINC000019390382 352648140 /nfs/dbraw/zinc/64/81/40/352648140.db2.gz YCFCSWPNAGYWJR-UHFFFAOYSA-N 0 0 212.680 2.121 50 0 BEAARN CC(=O)Nc1cccc2c1C(=O)CCC2 ZINC000038861828 187773203 /nfs/dbraw/zinc/77/32/03/187773203.db2.gz SRBHOMIOZFJDNQ-UHFFFAOYSA-N 0 0 203.241 2.164 50 0 BEAARN COc1cc(OC)c2nc(OC)cc(OC)c2c1 ZINC000068741486 187785377 /nfs/dbraw/zinc/78/53/77/187785377.db2.gz NRHNHQXHQWUQLV-UHFFFAOYSA-N 0 0 249.266 2.269 50 0 BEAARN CCOc1cncc(C(=O)N2CCCC[C@@H]2C)c1 ZINC000064552355 187785774 /nfs/dbraw/zinc/78/57/74/187785774.db2.gz PCTUPJIPDDSOHN-NSHDSACASA-N 0 0 248.326 2.495 50 0 BEAARN O=C(C1=CCCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000098019368 187802874 /nfs/dbraw/zinc/80/28/74/187802874.db2.gz ZOWLLORORZDOLK-CHWSQXEVSA-N 0 0 235.327 2.267 50 0 BEAARN CCc1[nH]nc(NCc2cccc(OC)n2)c1C ZINC000225386790 187831958 /nfs/dbraw/zinc/83/19/58/187831958.db2.gz MHDMFPLITCRRKG-UHFFFAOYSA-N 0 0 246.314 2.296 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019787908 352826329 /nfs/dbraw/zinc/82/63/29/352826329.db2.gz VUZHYEGXXWFWFT-CQSZACIVSA-N 0 0 247.338 2.416 50 0 BEAARN CCn1c(=O)[nH]nc1S[C@H]1CC[C@H](C)C1 ZINC000334197399 352789214 /nfs/dbraw/zinc/78/92/14/352789214.db2.gz KWIBEJPRGQYRFX-YUMQZZPRSA-N 0 0 227.333 2.284 50 0 BEAARN Cc1ncsc1NC(=O)c1cc(F)c[nH]1 ZINC000334260853 352893439 /nfs/dbraw/zinc/89/34/39/352893439.db2.gz SFHJGIZXOKFICU-UHFFFAOYSA-N 0 0 225.248 2.171 50 0 BEAARN Cn1ncc2c1CCCN2C(=O)OC(C)(C)C ZINC000095705196 180824639 /nfs/dbraw/zinc/82/46/39/180824639.db2.gz IUIBGUOQHXLBMT-UHFFFAOYSA-N 0 0 237.303 2.108 50 0 BEAARN O=C1CCSc2nc3ccccc3n21 ZINC000001238019 353029830 /nfs/dbraw/zinc/02/98/30/353029830.db2.gz PMSZMJNDANATMV-UHFFFAOYSA-N 0 0 204.254 2.172 50 0 BEAARN Cc1cc(C)cc(Nc2nccc(=O)[nH]2)c1 ZINC000001280897 353125995 /nfs/dbraw/zinc/12/59/95/353125995.db2.gz BXXRKGPQORBVRU-UHFFFAOYSA-N 0 0 215.256 2.130 50 0 BEAARN COc1ccc(CCNC(=O)c2ccco2)cc1 ZINC000000123627 188098429 /nfs/dbraw/zinc/09/84/29/188098429.db2.gz BQMXDRZBJOWSCF-UHFFFAOYSA-N 0 0 245.278 2.261 50 0 BEAARN CSc1ncc2c(Br)ccn2n1 ZINC000114009747 188098723 /nfs/dbraw/zinc/09/87/23/188098723.db2.gz PGDYWSRJVBROKM-UHFFFAOYSA-N 0 0 244.117 2.214 50 0 BEAARN Cc1ccc2onc(OC(=O)N(C)C)c2c1 ZINC000000075917 188098735 /nfs/dbraw/zinc/09/87/35/188098735.db2.gz VJOPEIWLIRYIFJ-UHFFFAOYSA-N 0 0 220.228 2.197 50 0 BEAARN Cc1c(C=O)cnn1-c1ccc(F)cc1 ZINC000000161895 188098987 /nfs/dbraw/zinc/09/89/87/188098987.db2.gz XFVNWAPZODECJD-UHFFFAOYSA-N 0 0 204.204 2.132 50 0 BEAARN CC(C)(C)N1C(=S)N=NC1c1ccncc1 ZINC000000145260 188099164 /nfs/dbraw/zinc/09/91/64/188099164.db2.gz SBFUNUJLIJRPQW-UHFFFAOYSA-N 0 0 234.328 2.384 50 0 BEAARN COc1ccc(Cc2cnc(N)s2)cc1 ZINC000000246445 188099467 /nfs/dbraw/zinc/09/94/67/188099467.db2.gz MSYFQOUPMXMROC-UHFFFAOYSA-N 0 0 220.297 2.325 50 0 BEAARN CC(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000000450618 188099544 /nfs/dbraw/zinc/09/95/44/188099544.db2.gz CLLWVBNQTOJUTJ-UHFFFAOYSA-N 0 0 228.704 2.173 50 0 BEAARN COc1ccccc1NC(=O)NCC(C)C ZINC000000396890 188099588 /nfs/dbraw/zinc/09/95/88/188099588.db2.gz SQGQAYNVRPCQSP-UHFFFAOYSA-N 0 0 222.288 2.473 50 0 BEAARN COc1ccc(CNC(=O)c2ccncc2)cc1 ZINC000003090561 188100927 /nfs/dbraw/zinc/10/09/27/188100927.db2.gz CFTNFDSEYGKMCU-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000003883606 188101470 /nfs/dbraw/zinc/10/14/70/188101470.db2.gz RCCQISKREHRGQL-UHFFFAOYSA-N 0 0 227.647 2.070 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000003430800 188101651 /nfs/dbraw/zinc/10/16/51/188101651.db2.gz LOYPWJZWUMOVRW-PRHODGIISA-N 0 0 232.283 2.240 50 0 BEAARN CC(=O)Nc1ccc(Oc2cnccn2)cc1 ZINC000003408455 188101768 /nfs/dbraw/zinc/10/17/68/188101768.db2.gz UVNXLLZBPWRSCW-UHFFFAOYSA-N 0 0 229.239 2.227 50 0 BEAARN CCn1ccc(C(=O)Nc2ccccc2C)n1 ZINC000006698970 188102523 /nfs/dbraw/zinc/10/25/23/188102523.db2.gz YDVWWLKBDCZUIZ-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CC(=O)OCC(=O)Nc1c(C)cc(C)cc1C ZINC000006825431 188102909 /nfs/dbraw/zinc/10/29/09/188102909.db2.gz LWVMLLHHEDTCDE-UHFFFAOYSA-N 0 0 235.283 2.113 50 0 BEAARN CCn1ccc(C(=O)Nc2ccccc2OC)n1 ZINC000006742289 188102911 /nfs/dbraw/zinc/10/29/11/188102911.db2.gz PJZNCCCRXFWCSE-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN Cc1cccc(NC(=S)N2CCOCC2)c1 ZINC000006491037 188103134 /nfs/dbraw/zinc/10/31/34/188103134.db2.gz QQOJOCACKLPXBG-UHFFFAOYSA-N 0 0 236.340 2.024 50 0 BEAARN Cc1ccc(C)c(NC(=O)C2=COCCO2)c1 ZINC000007608218 188103573 /nfs/dbraw/zinc/10/35/73/188103573.db2.gz AYLFETFTBVAHTQ-UHFFFAOYSA-N 0 0 233.267 2.130 50 0 BEAARN CC(=O)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000019409966 188107948 /nfs/dbraw/zinc/10/79/48/188107948.db2.gz OESFWZNQDAJVBD-UHFFFAOYSA-N 0 0 239.702 2.278 50 0 BEAARN CC(C)=CC(=O)NC[C@@H]1Cc2cc(F)ccc2O1 ZINC000022311993 188109179 /nfs/dbraw/zinc/10/91/79/188109179.db2.gz XOTJCIANDVLWLT-LBPRGKRZSA-N 0 0 249.285 2.212 50 0 BEAARN Cc1nn(C)c(C)c1/C=C/C(=O)NCCC(C)C ZINC000023975768 188109193 /nfs/dbraw/zinc/10/91/93/188109193.db2.gz LCBHCZNZQPIGBZ-VOTSOKGWSA-N 0 0 249.358 2.212 50 0 BEAARN Cc1ncc(Cl)c(C(=O)OC[C@H]2C[C@H]2C)n1 ZINC000076090300 538110022 /nfs/dbraw/zinc/11/00/22/538110022.db2.gz GBJQZVCXGQGFRY-HTRCEHHLSA-N 0 0 240.690 2.251 50 0 BEAARN COc1ncccc1CNC(=O)[C@@H]1CC=CCC1 ZINC000031319155 188110078 /nfs/dbraw/zinc/11/00/78/188110078.db2.gz IZUXIVPXDDHUQM-LLVKDONJSA-N 0 0 246.310 2.063 50 0 BEAARN C/C=C/C=C/C(=O)NCCOc1cccc(F)c1 ZINC000027722714 188110191 /nfs/dbraw/zinc/11/01/91/188110191.db2.gz GXQPCNZBPQESJD-CRBCFSCISA-N 0 0 249.285 2.453 50 0 BEAARN CC(C)(C)[C@H](O)CNC(=O)NC1CCCCC1 ZINC000071902357 188113776 /nfs/dbraw/zinc/11/37/76/188113776.db2.gz BATNNZDPBGAYFF-LLVKDONJSA-N 0 0 242.363 2.025 50 0 BEAARN Cc1ncsc1C(=O)N1CCCC[C@@H]1C ZINC000040530011 188118350 /nfs/dbraw/zinc/11/83/50/188118350.db2.gz YWRNHBFWWBSTNH-QMMMGPOBSA-N 0 0 224.329 2.466 50 0 BEAARN CC(C)CO[C@H](C)C(=O)NCc1ccccc1 ZINC000042468928 188120041 /nfs/dbraw/zinc/12/00/41/188120041.db2.gz NXJDLKYOZAJIRX-GFCCVEGCSA-N 0 0 235.327 2.364 50 0 BEAARN FC(F)(F)CNCCc1ccccc1 ZINC000019477914 180883486 /nfs/dbraw/zinc/88/34/86/180883486.db2.gz LHOKFYXJNQUUPY-UHFFFAOYSA-N 0 0 203.207 2.381 50 0 BEAARN FC(F)(F)COCc1noc(-c2ccco2)n1 ZINC000225589254 180885579 /nfs/dbraw/zinc/88/55/79/180885579.db2.gz WQWCFUGJRMZGGU-UHFFFAOYSA-N 0 0 248.160 2.409 50 0 BEAARN COCc1ccccc1C(=O)N(C)C1CC1 ZINC000060372680 188128415 /nfs/dbraw/zinc/12/84/15/188128415.db2.gz CRMAJCKYNHACSV-UHFFFAOYSA-N 0 0 219.284 2.067 50 0 BEAARN CC(C)[C@H](O)CNC(=O)c1ccc(Cl)cc1 ZINC000095418200 188145660 /nfs/dbraw/zinc/14/56/60/188145660.db2.gz VEGZTCDFUSXLNZ-LLVKDONJSA-N 0 0 241.718 2.087 50 0 BEAARN CCCc1cnc(-c2ccc(OC)nc2)nc1 ZINC000067834102 188129045 /nfs/dbraw/zinc/12/90/45/188129045.db2.gz MGOLMURWUMJHTI-UHFFFAOYSA-N 0 0 229.283 2.500 50 0 BEAARN COc1cc(Br)cc2c[nH]nc21 ZINC000084235797 188143549 /nfs/dbraw/zinc/14/35/49/188143549.db2.gz GLOTVIAEDAXCAT-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN FC(F)(F)c1n[nH]cc1Br ZINC000004243643 180891578 /nfs/dbraw/zinc/89/15/78/180891578.db2.gz JTHNMRUVJDWVMJ-UHFFFAOYSA-N 0 0 214.972 2.191 50 0 BEAARN c1cc(NCC2=CCCOC2)n(CC2CC2)n1 ZINC000127945260 188155264 /nfs/dbraw/zinc/15/52/64/188155264.db2.gz NRJSDAMHDUEYHY-UHFFFAOYSA-N 0 0 233.315 2.052 50 0 BEAARN CC(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000005685869 188157595 /nfs/dbraw/zinc/15/75/95/188157595.db2.gz BYXPPFFBYJYUHQ-UHFFFAOYSA-N 0 0 201.229 2.035 50 0 BEAARN CC(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000006730502 188157883 /nfs/dbraw/zinc/15/78/83/188157883.db2.gz TXOGTHIEUIIHHJ-UHFFFAOYSA-N 0 0 245.282 2.023 50 0 BEAARN CC(C)[C@@H]1NC(=S)N(C2CCCCC2)C1=O ZINC000000307637 188158761 /nfs/dbraw/zinc/15/87/61/188158761.db2.gz ONXDYTSYCAPBEQ-JTQLQIEISA-N 0 0 240.372 2.060 50 0 BEAARN CC(C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000001456900 188159259 /nfs/dbraw/zinc/15/92/59/188159259.db2.gz DDEQUIASKFRODF-NWDGAFQWSA-N 0 0 203.285 2.315 50 0 BEAARN O=C1NC(=O)C(=Cc2c(F)cccc2F)S1 ZINC000004105108 188160759 /nfs/dbraw/zinc/16/07/59/188160759.db2.gz KSUQQPMAKGYQEG-YWEYNIOJSA-N 0 0 241.218 2.289 50 0 BEAARN C/C(=C/c1cncs1)c1cnccn1 ZINC000097098194 188149193 /nfs/dbraw/zinc/14/91/93/188149193.db2.gz NQIAGUVXFNBSFJ-YWEYNIOJSA-N 0 0 203.270 2.494 50 0 BEAARN Clc1nc2n[nH]cc2cc1Br ZINC000258144498 188193130 /nfs/dbraw/zinc/19/31/30/188193130.db2.gz WWMXUPWIWJIDBM-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CC(C)COc1[nH]ccc(=O)c1Cl ZINC000261493956 188193649 /nfs/dbraw/zinc/19/36/49/188193649.db2.gz MQVTUHKVCMVBRE-UHFFFAOYSA-N 0 0 201.653 2.475 50 0 BEAARN Cc1nc2ncnc(NC3CCCCC3)c2[nH]1 ZINC000057279835 188179621 /nfs/dbraw/zinc/17/96/21/188179621.db2.gz KLFPAUOHKGLXRI-UHFFFAOYSA-N 0 0 231.303 2.406 50 0 BEAARN CC(C)N(Cc1cn[nH]n1)Cc1ccccc1 ZINC000225846485 188182007 /nfs/dbraw/zinc/18/20/07/188182007.db2.gz DFLYZOWSYJNNPG-UHFFFAOYSA-N 0 0 230.315 2.215 50 0 BEAARN C[C@H](Nc1cnccn1)[C@H](O)c1ccc(F)cc1 ZINC000097104616 188189636 /nfs/dbraw/zinc/18/96/36/188189636.db2.gz FVCZAOIXBOXWPY-ZANVPECISA-N 0 0 247.273 2.150 50 0 BEAARN O=C1NC(=O)C(=Cc2ccc(F)c(F)c2)S1 ZINC000097996530 188190692 /nfs/dbraw/zinc/19/06/92/188190692.db2.gz OWQKJWJDNJJLHS-XBXARRHUSA-N 0 0 241.218 2.289 50 0 BEAARN FC1(F)CC(Nc2ncc(Cl)cn2)C1 ZINC000277198685 180914542 /nfs/dbraw/zinc/91/45/42/180914542.db2.gz PLOMYENRNNKAQB-UHFFFAOYSA-N 0 0 219.622 2.340 50 0 BEAARN CC(C)=CCNC(=O)NC1CC(F)(F)C1 ZINC000277531496 188202912 /nfs/dbraw/zinc/20/29/12/188202912.db2.gz SLLZJWQNPJVCLK-UHFFFAOYSA-N 0 0 218.247 2.050 50 0 BEAARN CC(=O)NCc1ccc(Br)cc1C ZINC000095394732 188223604 /nfs/dbraw/zinc/22/36/04/188223604.db2.gz AYRAAZYQKXJDKP-UHFFFAOYSA-N 0 0 242.116 2.394 50 0 BEAARN C=CC(=O)N(C)Cc1c(C)nc2sc(C)cn21 ZINC000328594231 188225002 /nfs/dbraw/zinc/22/50/02/188225002.db2.gz BZEHXZFPWMEJDX-UHFFFAOYSA-N 0 0 249.339 2.157 50 0 BEAARN CC(=O)N(C)CCc1nc2c(s1)CCCC2 ZINC000336256786 188227855 /nfs/dbraw/zinc/22/78/55/188227855.db2.gz ONAMREIDXOZRLL-UHFFFAOYSA-N 0 0 238.356 2.043 50 0 BEAARN Cc1nc(Cn2c(C)c(C)sc2=O)cs1 ZINC000098013737 538114869 /nfs/dbraw/zinc/11/48/69/538114869.db2.gz JBHBPVVXMNJNDM-UHFFFAOYSA-N 0 0 240.353 2.340 50 0 BEAARN CONC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000012730986 353328772 /nfs/dbraw/zinc/32/87/72/353328772.db2.gz VEDARMMFUWVUHP-UHFFFAOYSA-N 0 0 218.256 2.076 50 0 BEAARN Fc1cc(Cl)cnc1N1CCCC1 ZINC000038536966 180950930 /nfs/dbraw/zinc/95/09/30/180950930.db2.gz IDBIHCGKQNLXJN-UHFFFAOYSA-N 0 0 200.644 2.474 50 0 BEAARN Cc1ccc(CNC(=O)c2ccc[nH]2)cc1 ZINC000001404028 353392743 /nfs/dbraw/zinc/39/27/43/353392743.db2.gz QNGNTDZXTCCSEP-UHFFFAOYSA-N 0 0 214.268 2.253 50 0 BEAARN Fc1ccc(CSc2ncccn2)nc1 ZINC000335206125 180971618 /nfs/dbraw/zinc/97/16/18/180971618.db2.gz UMEAOPKYJMFFNG-UHFFFAOYSA-N 0 0 221.260 2.303 50 0 BEAARN Cc1cc(Cl)ccc1NC(N)=S ZINC000002528133 188455900 /nfs/dbraw/zinc/45/59/00/188455900.db2.gz ZTEGMOSORJUJFG-UHFFFAOYSA-N 0 0 200.694 2.304 50 0 BEAARN CC(=O)c1c(C)[nH]c(C(=O)NCC(C)C)c1C ZINC000009364246 188458431 /nfs/dbraw/zinc/45/84/31/188458431.db2.gz RNDYMAICBPKZTA-UHFFFAOYSA-N 0 0 236.315 2.220 50 0 BEAARN Cc1cc(C)n(-c2ccc(N)cc2F)n1 ZINC000020352183 188462618 /nfs/dbraw/zinc/46/26/18/188462618.db2.gz SOMUJVAHUCSAPU-UHFFFAOYSA-N 0 0 205.236 2.210 50 0 BEAARN CC(=O)Nc1cccc(C(=O)N[C@H](C)C2CC2)c1 ZINC000023990209 188464767 /nfs/dbraw/zinc/46/47/67/188464767.db2.gz YPDHETAPNQPXMO-SECBINFHSA-N 0 0 246.310 2.173 50 0 BEAARN Cc1ccc(C(=O)NC(=S)N2CCCC2)cc1 ZINC000000302217 188453563 /nfs/dbraw/zinc/45/35/63/188453563.db2.gz BWDLOJUUEPLLNS-UHFFFAOYSA-N 0 0 248.351 2.106 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N1CCCCC1 ZINC000042467298 188476809 /nfs/dbraw/zinc/47/68/09/188476809.db2.gz MFYGDKMNUGEWDA-LLVKDONJSA-N 0 0 213.321 2.060 50 0 BEAARN Fc1cccc(-c2nc(-c3cnccn3)no2)c1 ZINC000084512239 180993434 /nfs/dbraw/zinc/99/34/34/180993434.db2.gz HZCQYOFQGBUUME-UHFFFAOYSA-N 0 0 242.213 2.333 50 0 BEAARN CCCn1ccnc1SCc1nnc(C)o1 ZINC000036396558 188468507 /nfs/dbraw/zinc/46/85/07/188468507.db2.gz RHVKMDHJZSFHFD-UHFFFAOYSA-N 0 0 238.316 2.277 50 0 BEAARN CC(C)Cn1ccnc1NC(=O)c1cccs1 ZINC000058230248 188485509 /nfs/dbraw/zinc/48/55/09/188485509.db2.gz JHCHOCRYDFBTMS-UHFFFAOYSA-N 0 0 249.339 2.275 50 0 BEAARN Fc1cccc(NCc2ncccn2)c1F ZINC000054459374 181001723 /nfs/dbraw/zinc/00/17/23/181001723.db2.gz WXAMPXUPZGVJSA-UHFFFAOYSA-N 0 0 221.210 2.367 50 0 BEAARN O=C(CC1CCCC1)NC[C@@H](O)c1ccoc1 ZINC000085471618 188481255 /nfs/dbraw/zinc/48/12/55/188481255.db2.gz VIRINGMZVNXPPA-GFCCVEGCSA-N 0 0 237.299 2.010 50 0 BEAARN Fc1cccc(Nc2ncnc3n[nH]cc32)c1 ZINC000013687055 181003043 /nfs/dbraw/zinc/00/30/43/181003043.db2.gz MOPUQFYNNVMCTC-UHFFFAOYSA-N 0 0 229.218 2.236 50 0 BEAARN CC(C)(C)c1nc([C@H]2CC23CCC3)n(CCO)n1 ZINC000096137517 188500485 /nfs/dbraw/zinc/50/04/85/188500485.db2.gz HEGGYFAYOBTEFN-SNVBAGLBSA-N 0 0 249.358 2.226 50 0 BEAARN Fc1ccccc1OCCCn1ccnc1 ZINC000013284755 181014454 /nfs/dbraw/zinc/01/44/54/181014454.db2.gz NPVPYKYMAHBMFL-UHFFFAOYSA-N 0 0 220.247 2.491 50 0 BEAARN Fc1ccccc1-c1nnc(Cn2ccnc2)o1 ZINC000072558653 181009612 /nfs/dbraw/zinc/00/96/12/181009612.db2.gz LCVZCJVTYGOSMO-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN CC(C)(C)c1nnnn1CCc1cccs1 ZINC000095467732 188499834 /nfs/dbraw/zinc/49/98/34/188499834.db2.gz UOUCZRHPUCNAHJ-UHFFFAOYSA-N 0 0 236.344 2.275 50 0 BEAARN CCc1ccccc1NC(=O)CN(C)C1CC1 ZINC000046601806 353799534 /nfs/dbraw/zinc/79/95/34/353799534.db2.gz UIVHLYDXLMNAGI-UHFFFAOYSA-N 0 0 232.327 2.282 50 0 BEAARN Fc1cnccc1NCc1cncs1 ZINC000225406744 181020551 /nfs/dbraw/zinc/02/05/51/181020551.db2.gz YWZJXCSNIGFZMO-UHFFFAOYSA-N 0 0 209.249 2.289 50 0 BEAARN Cc1cc(C)n(CCCNC(=O)CC(C)C)n1 ZINC000046866772 353857915 /nfs/dbraw/zinc/85/79/15/353857915.db2.gz HHPJKSGSAPBHQY-UHFFFAOYSA-N 0 0 237.347 2.052 50 0 BEAARN Cc1ccc(SC2=CCS(=O)(=O)C2)cc1 ZINC000001395904 188517546 /nfs/dbraw/zinc/51/75/46/188517546.db2.gz ADBQTBMQSNUQBA-UHFFFAOYSA-N 0 0 240.349 2.399 50 0 BEAARN O=C(NC[C@H]1CCCC1(F)F)c1cc[nH]c1 ZINC000334527586 353901924 /nfs/dbraw/zinc/90/19/24/353901924.db2.gz GXFZJJUNMRUEDD-SECBINFHSA-N 0 0 228.242 2.180 50 0 BEAARN Cc1c2[nH]c(=O)oc2ccc1Br ZINC000225522426 188538861 /nfs/dbraw/zinc/53/88/61/188538861.db2.gz AEHCNIOAZIDUSG-UHFFFAOYSA-N 0 0 228.045 2.192 50 0 BEAARN Cc1cccc(CC(=O)C(F)(F)F)n1 ZINC000196731784 188534483 /nfs/dbraw/zinc/53/44/83/188534483.db2.gz UGEJSBDOIRHXAC-UHFFFAOYSA-N 0 0 203.163 2.064 50 0 BEAARN O=C(CCc1ccco1)Nc1ccccn1 ZINC000023010745 188536987 /nfs/dbraw/zinc/53/69/87/188536987.db2.gz LNUPFAIWMHJAJS-UHFFFAOYSA-N 0 0 216.240 2.246 50 0 BEAARN CC(C)=CCN1CCN(c2ccccc2)C(=O)C1 ZINC000343814332 354012270 /nfs/dbraw/zinc/01/22/70/354012270.db2.gz KYBHHHFPFWIYAI-UHFFFAOYSA-N 0 0 244.338 2.301 50 0 BEAARN C=CC(=O)N([C@H](C)c1cccnc1)C1CC1 ZINC000328599404 188585687 /nfs/dbraw/zinc/58/56/87/188585687.db2.gz ROQIMVTWHCJIRL-SNVBAGLBSA-N 0 0 216.284 2.320 50 0 BEAARN COCCc1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000252477837 363344402 /nfs/dbraw/zinc/34/44/02/363344402.db2.gz WDNWCQBCAIIFEF-JZYVYDRUSA-N 0 0 222.288 2.162 50 0 BEAARN Cc1occc1CN1C[C@H](F)C[C@H]1C(N)=O ZINC000334609736 354317621 /nfs/dbraw/zinc/31/76/21/354317621.db2.gz NASLQFPDBULXHZ-ZJUUUORDSA-N 0 0 226.251 2.036 50 0 BEAARN CC1=CCCN(C(=O)NCC[C@@H](C)F)C1 ZINC000334682795 354428419 /nfs/dbraw/zinc/42/84/19/354428419.db2.gz HJEKNGQMVVTVTH-SNVBAGLBSA-N 0 0 214.284 2.096 50 0 BEAARN CC/C=C\CCNc1cnn(-c2ncccn2)c1 ZINC000606445919 355353104 /nfs/dbraw/zinc/35/31/04/355353104.db2.gz RUOQILQIRFEZJK-ARJAWSKDSA-N 0 0 243.314 2.431 50 0 BEAARN N=C(NC(=O)c1ccccc1)c1ccccc1 ZINC000004863505 181197482 /nfs/dbraw/zinc/19/74/82/181197482.db2.gz JCTSRBNDLYWLGY-UHFFFAOYSA-N 0 0 224.263 2.442 50 0 BEAARN N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 ZINC000012416746 181206887 /nfs/dbraw/zinc/20/68/87/181206887.db2.gz VWLLPISBNMJQES-YVMONPNESA-N 0 0 238.699 2.479 50 0 BEAARN N=C1NC(=O)/C(=C/C=C\c2cccs2)S1 ZINC000033382760 181206970 /nfs/dbraw/zinc/20/69/70/181206970.db2.gz IUCNKAGQALMSNZ-OZIUOTTISA-N 0 0 236.321 2.443 50 0 BEAARN N=C1c2ccccc2CN1c1cccnc1 ZINC000003165135 181207146 /nfs/dbraw/zinc/20/71/46/181207146.db2.gz GTQFUGDLNDHDCT-UHFFFAOYSA-N 0 0 209.252 2.427 50 0 BEAARN N=c1c2ccccc2nc2n1CCCCC2 ZINC000100429693 181208393 /nfs/dbraw/zinc/20/83/93/181208393.db2.gz SWBGVEITZMQLIH-UHFFFAOYSA-N 0 0 213.284 2.242 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000001456455 355769090 /nfs/dbraw/zinc/76/90/90/355769090.db2.gz VDURFWVFJPZWIE-GFCCVEGCSA-N 0 0 218.300 2.486 50 0 BEAARN O=C(COc1cccc2ccccc21)NC1CC1 ZINC000006053089 355776654 /nfs/dbraw/zinc/77/66/54/355776654.db2.gz IVZSMUUOWNPSHL-UHFFFAOYSA-N 0 0 241.290 2.497 50 0 BEAARN O=C(c1cccnc1)N1CCCCCC1 ZINC000001460938 355776700 /nfs/dbraw/zinc/77/67/00/355776700.db2.gz BLOGHYAYHMEERX-UHFFFAOYSA-N 0 0 204.273 2.098 50 0 BEAARN NC(=O)C1(Nc2ccccc2)CCCCC1 ZINC000001077414 181215378 /nfs/dbraw/zinc/21/53/78/181215378.db2.gz MYHZOZJLNZBBGE-UHFFFAOYSA-N 0 0 218.300 2.287 50 0 BEAARN C=CC(=O)N[C@H]1CCCc2ccccc21 ZINC000035180708 355874942 /nfs/dbraw/zinc/87/49/42/355874942.db2.gz SYTWQUHOEMWOBV-LBPRGKRZSA-N 0 0 201.269 2.366 50 0 BEAARN Cc1c2ccccc2sc1C(=O)N[C@H](C)CO ZINC000035204148 355927324 /nfs/dbraw/zinc/92/73/24/355927324.db2.gz WEQCBXBIAFNFIP-MRVPVSSYSA-N 0 0 249.335 2.320 50 0 BEAARN NC(=O)C1CCC(c2ccccc2)CC1 ZINC000031308450 181216791 /nfs/dbraw/zinc/21/67/91/181216791.db2.gz CYZSFVCMOLUFIS-UHFFFAOYSA-N 0 0 203.285 2.446 50 0 BEAARN NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000132921 181217583 /nfs/dbraw/zinc/21/75/83/181217583.db2.gz WEDLKOCAEPRSPJ-UHFFFAOYSA-N 0 0 225.247 2.410 50 0 BEAARN NC(=O)COc1ccc2oc3ccccc3c2c1 ZINC000007647068 181239174 /nfs/dbraw/zinc/23/91/74/181239174.db2.gz MAXGAAIMDUDERV-UHFFFAOYSA-N 0 0 241.246 2.450 50 0 BEAARN NC(=O)CSCc1nc2ccccc2s1 ZINC000003442016 181240091 /nfs/dbraw/zinc/24/00/91/181240091.db2.gz CBEWKNGZOKSHHF-UHFFFAOYSA-N 0 0 238.337 2.015 50 0 BEAARN O=C(C[C@@H]1CCOC1)NCCCC1CCCC1 ZINC000351526421 356009351 /nfs/dbraw/zinc/00/93/51/356009351.db2.gz WRCCSNUGHWBWJM-ZDUSSCGKSA-N 0 0 239.359 2.500 50 0 BEAARN NC(=O)C[C@H]1CC[C@H](c2ccccc2)C1 ZINC000071773307 181246118 /nfs/dbraw/zinc/24/61/18/181246118.db2.gz KHAOETKYNQPJJA-JQWIXIFHSA-N 0 0 203.285 2.446 50 0 BEAARN NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000016603249 181246636 /nfs/dbraw/zinc/24/66/36/181246636.db2.gz JJLKXBIUMBGNNY-UHFFFAOYSA-N 0 0 211.264 2.381 50 0 BEAARN Cc1ccc(F)cc1NC(=O)CCn1cccn1 ZINC000047665808 356093808 /nfs/dbraw/zinc/09/38/08/356093808.db2.gz DYFGLYJPBNWVAI-UHFFFAOYSA-N 0 0 247.273 2.359 50 0 BEAARN NC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004783733 181259426 /nfs/dbraw/zinc/25/94/26/181259426.db2.gz OTQFGOOETRHRCP-UHFFFAOYSA-N 0 0 243.310 2.215 50 0 BEAARN NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000048310812 181262544 /nfs/dbraw/zinc/26/25/44/181262544.db2.gz DGHFZUPKMHENII-UHFFFAOYSA-N 0 0 245.238 2.023 50 0 BEAARN NC(=O)[C@@H](NCc1ccsc1)c1ccccc1 ZINC000056153659 181265263 /nfs/dbraw/zinc/26/52/63/181265263.db2.gz AEPDAALTVRSKHS-LBPRGKRZSA-N 0 0 246.335 2.064 50 0 BEAARN CC(C)CNC(=O)c1ccc(-n2cccn2)cc1 ZINC000012858693 356283453 /nfs/dbraw/zinc/28/34/53/356283453.db2.gz MMLKXQBDRMOWGE-UHFFFAOYSA-N 0 0 243.310 2.258 50 0 BEAARN C[C@@H]1C[C@H](C(=O)NC/C=C\CO)CC(C)(C)C1 ZINC000617685859 356284705 /nfs/dbraw/zinc/28/47/05/356284705.db2.gz YIEBOWHJHHBGIG-JYYSYOFASA-N 0 0 239.359 2.114 50 0 BEAARN C[C@@H]1C[C@H](C(=O)NC/C=C/CO)CC(C)(C)C1 ZINC000617685860 356284861 /nfs/dbraw/zinc/28/48/61/356284861.db2.gz YIEBOWHJHHBGIG-RVAOTSRCSA-N 0 0 239.359 2.114 50 0 BEAARN NC(=O)SCC(=O)Nc1ccccc1Cl ZINC000013547417 181263925 /nfs/dbraw/zinc/26/39/25/181263925.db2.gz BJXIBAQYWKHJTD-UHFFFAOYSA-N 0 0 244.703 2.090 50 0 BEAARN CCCC(=O)NC(=O)Nc1ccccc1 ZINC000000400475 356358700 /nfs/dbraw/zinc/35/87/00/356358700.db2.gz HLOVBZDWXRCQRG-UHFFFAOYSA-N 0 0 206.245 2.135 50 0 BEAARN CSc1ccc(C(=O)Nc2ccn(C)n2)cc1 ZINC000012870284 356360951 /nfs/dbraw/zinc/36/09/51/356360951.db2.gz FBBGECJXGORIHJ-UHFFFAOYSA-N 0 0 247.323 2.394 50 0 BEAARN O=S1(=O)CC23CC=CCC2(C1)CC=CC3 ZINC000005105845 356363356 /nfs/dbraw/zinc/36/33/56/356363356.db2.gz ONSLAKZHKJHODY-UHFFFAOYSA-N 0 0 224.325 2.088 50 0 BEAARN COC(=O)CCSCc1ccccc1 ZINC000001640795 356364615 /nfs/dbraw/zinc/36/46/15/356364615.db2.gz KFRBVHFYLRIKNQ-UHFFFAOYSA-N 0 0 210.298 2.483 50 0 BEAARN Nc1ccnc(C(F)(F)C(F)(F)F)c1 ZINC000038350964 356370478 /nfs/dbraw/zinc/37/04/78/356370478.db2.gz CJBQJCGRZHTKJE-UHFFFAOYSA-N 0 0 212.121 2.318 50 0 BEAARN NC(=O)c1c(N)scc1-c1ccccc1F ZINC000012398438 181286068 /nfs/dbraw/zinc/28/60/68/181286068.db2.gz REVARKJBOLGHRL-UHFFFAOYSA-N 0 0 236.271 2.235 50 0 BEAARN O=C(c1ccc2ccccc2n1)N1CCCC1 ZINC000017356292 363491850 /nfs/dbraw/zinc/49/18/50/363491850.db2.gz SZCAYWVIHWBKDI-UHFFFAOYSA-N 0 0 226.279 2.471 50 0 BEAARN NC(=O)c1cc(Br)cc2cc[nH]c21 ZINC000090548913 181287402 /nfs/dbraw/zinc/28/74/02/181287402.db2.gz DRIDRCGADKYDQD-UHFFFAOYSA-N 0 0 239.072 2.029 50 0 BEAARN CC(C)(C)NC(=O)c1cnc2ccccc2n1 ZINC000040462342 363525511 /nfs/dbraw/zinc/52/55/11/363525511.db2.gz AZHZRMJDVJFWGT-UHFFFAOYSA-N 0 0 229.283 2.158 50 0 BEAARN O=C1NC2(CCCC2)NN1c1ccc(F)cc1 ZINC000334160609 134159827 /nfs/dbraw/zinc/15/98/27/134159827.db2.gz INQGFFZGMADWMG-UHFFFAOYSA-N 0 0 235.262 2.130 50 0 BEAARN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1OCC[C@@H]1C ZINC000450379057 202146311 /nfs/dbraw/zinc/14/63/11/202146311.db2.gz NURBPORBKLKRHB-NNYUYHANSA-N 0 0 225.332 2.201 50 0 BEAARN C[C@@]1(c2ccc(Cl)cc2)CNC(=O)C1 ZINC000085133596 538536634 /nfs/dbraw/zinc/53/66/34/538536634.db2.gz CXMBMJSSMWCTCP-NSHDSACASA-N 0 0 209.676 2.118 50 0 BEAARN COC(=O)[C@@]1(C)O[C@@]1(C)c1ccc(C)s1 ZINC000085657906 538545238 /nfs/dbraw/zinc/54/52/38/538545238.db2.gz KYRMNCDKAOXDCD-WDEREUQCSA-N 0 0 226.297 2.234 50 0 BEAARN COC(=O)Cc1cc(=O)[nH]c2c(C)cc(F)cc12 ZINC000675082335 538523459 /nfs/dbraw/zinc/52/34/59/538523459.db2.gz YRIDKQAUUHOHSD-UHFFFAOYSA-N 0 0 249.241 2.103 50 0 BEAARN COC(=O)[C@H]1OC12CCC(C(C)C)CC2 ZINC000084324065 538530218 /nfs/dbraw/zinc/53/02/18/538530218.db2.gz WLOWKJJDDPFJOZ-SQLBVSGCSA-N 0 0 212.289 2.143 50 0 BEAARN FC(F)(F)c1ccnc(N2CCCOCC2)c1 ZINC000095408561 538608847 /nfs/dbraw/zinc/60/88/47/538608847.db2.gz ANPVZRBVQQVQAN-UHFFFAOYSA-N 0 0 246.232 2.327 50 0 BEAARN CN(C(=O)Cc1cccnc1)c1cccc(F)c1 ZINC000089365402 538578738 /nfs/dbraw/zinc/57/87/38/538578738.db2.gz XCLVUITVSDQRPQ-UHFFFAOYSA-N 0 0 244.269 2.426 50 0 BEAARN Cc1cc(C(=O)N2CC[C@@]3(CCOC3)C2)oc1C ZINC000089606840 538582507 /nfs/dbraw/zinc/58/25/07/538582507.db2.gz GHFILLIQJLFBQR-CQSZACIVSA-N 0 0 249.310 2.149 50 0 BEAARN O=C(c1cccnc1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089793923 538583482 /nfs/dbraw/zinc/58/34/82/538583482.db2.gz MEVOERMGEUBWFW-STQMWFEESA-N 0 0 228.295 2.120 50 0 BEAARN O=C(C1=CCCCO1)N1CCc2ccccc21 ZINC000089861243 538584530 /nfs/dbraw/zinc/58/45/30/538584530.db2.gz RRLSPDUGXJZCMF-UHFFFAOYSA-N 0 0 229.279 2.270 50 0 BEAARN O=C(c1ccccn1)N1CC[C@@H]2CCCC[C@H]21 ZINC000089878934 538584907 /nfs/dbraw/zinc/58/49/07/538584907.db2.gz XGWAGNPPXBGYFK-WCQYABFASA-N 0 0 230.311 2.486 50 0 BEAARN O=C(C1=CCCCO1)N1CCCCCC1 ZINC000089818954 538585031 /nfs/dbraw/zinc/58/50/31/538585031.db2.gz MXQHAIWFBSKFDW-UHFFFAOYSA-N 0 0 209.289 2.083 50 0 BEAARN C[C@H]1CC[C@@H](C(=O)N2CC(C)(C)C2(C)C)O1 ZINC000089922803 538585657 /nfs/dbraw/zinc/58/56/57/538585657.db2.gz FSHJBLIITCIKMH-UWVGGRQHSA-N 0 0 225.332 2.201 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1cc(C2CCC2)nn1C ZINC000089921936 538585726 /nfs/dbraw/zinc/58/57/26/538585726.db2.gz OIAWQAVYYZVPQJ-WCBMZHEXSA-N 0 0 233.315 2.282 50 0 BEAARN CC(C)NC(=O)NCCn1ccc2ccccc21 ZINC000074904512 356738712 /nfs/dbraw/zinc/73/87/12/356738712.db2.gz DWOCGOQIPRLAQI-UHFFFAOYSA-N 0 0 245.326 2.349 50 0 BEAARN CNC(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000095396869 538607329 /nfs/dbraw/zinc/60/73/29/538607329.db2.gz ZWGPEAZNLXAPGK-OLZOCXBDSA-N 0 0 248.326 2.306 50 0 BEAARN CN(C)C(=O)c1ccnc(NC2CCCC2)c1 ZINC000095958744 538609557 /nfs/dbraw/zinc/60/95/57/538609557.db2.gz RCMBTPSILBGNPP-UHFFFAOYSA-N 0 0 233.315 2.138 50 0 BEAARN CC(C)(CC1CCOCC1)C(=O)N1CCCC1 ZINC000095414448 538610722 /nfs/dbraw/zinc/61/07/22/538610722.db2.gz RYEMPTSSCUHDGR-UHFFFAOYSA-N 0 0 239.359 2.452 50 0 BEAARN Cc1cc(NCc2ccc(C)cn2)no1 ZINC000095992258 538613312 /nfs/dbraw/zinc/61/33/12/538613312.db2.gz IULGUIMZOQTDDP-UHFFFAOYSA-N 0 0 203.245 2.299 50 0 BEAARN O=C(O[C@H]1CCSC1)c1ccc2cc[nH]c2n1 ZINC000096013416 538613812 /nfs/dbraw/zinc/61/38/12/538613812.db2.gz ASVBEJPSGWVGAI-VIFPVBQESA-N 0 0 248.307 2.225 50 0 BEAARN Cc1ccc2c(c1)nc(-c1ccc(=O)[nH]c1)n2C ZINC000075120266 356858306 /nfs/dbraw/zinc/85/83/06/356858306.db2.gz MYNQVGRAYYXKMJ-UHFFFAOYSA-N 0 0 239.278 2.237 50 0 BEAARN CCCCCCn1c(O)cc(=O)[nH]c1=S ZINC000075278476 356937766 /nfs/dbraw/zinc/93/77/66/356937766.db2.gz ZRYLKVUMKRCWEI-UHFFFAOYSA-N 0 0 228.317 2.192 50 0 BEAARN CCCc1nnc2n1N[C@@H](c1ccco1)S2 ZINC000075279710 356938738 /nfs/dbraw/zinc/93/87/38/356938738.db2.gz NZCBMKXIOYGPLE-SECBINFHSA-N 0 0 236.300 2.172 50 0 BEAARN Cc1ccc(N[C@@H]2CCCCNC2=O)cc1 ZINC000012538015 538758200 /nfs/dbraw/zinc/75/82/00/538758200.db2.gz YUVFGZMJRKFZBX-GFCCVEGCSA-N 0 0 218.300 2.076 50 0 BEAARN Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)cc1F ZINC000012916150 538778022 /nfs/dbraw/zinc/77/80/22/538778022.db2.gz RQAABULGQRVVDE-GXSJLCMTSA-N 0 0 221.275 2.406 50 0 BEAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC1 ZINC000012973778 538780813 /nfs/dbraw/zinc/78/08/13/538780813.db2.gz LBNVPAAUYPLUCG-SECBINFHSA-N 0 0 239.702 2.340 50 0 BEAARN C[C@@H](NC(=O)[C@H]1CCCO1)c1cccc(F)c1 ZINC000012977076 538780856 /nfs/dbraw/zinc/78/08/56/538780856.db2.gz JXAGVEKCVKBHDZ-BXKDBHETSA-N 0 0 237.274 2.182 50 0 BEAARN NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000022864076 181292007 /nfs/dbraw/zinc/29/20/07/181292007.db2.gz JSCKWINVIDGYFR-UHFFFAOYSA-N 0 0 239.072 2.029 50 0 BEAARN CC[C@@H](C(=O)[O-])C1CC[NH+](C(C)C)CC1 ZINC000685951534 538895024 /nfs/dbraw/zinc/89/50/24/538895024.db2.gz PSBDZPORKWBPPA-LLVKDONJSA-N 0 0 213.321 2.218 50 0 BEAARN NC(=O)c1ccc(Br)c2cc[nH]c21 ZINC000049582184 181293371 /nfs/dbraw/zinc/29/33/71/181293371.db2.gz SRGYDNIXPOHONC-UHFFFAOYSA-N 0 0 239.072 2.029 50 0 BEAARN CC(C)n1ncc(Cl)c(Cl)c1=O ZINC000039212811 358050805 /nfs/dbraw/zinc/05/08/05/358050805.db2.gz CLYOFMSYTGWWHE-UHFFFAOYSA-N 0 0 207.060 2.131 50 0 BEAARN O=C(CNC(=O)c1ccccc1)c1ccccc1 ZINC000000394409 358088564 /nfs/dbraw/zinc/08/85/64/358088564.db2.gz MIJZKZQWQXKSPA-UHFFFAOYSA-N 0 0 239.274 2.299 50 0 BEAARN O=C(c1ccsc1)N1CCC=C(F)C1 ZINC000335133697 358223698 /nfs/dbraw/zinc/22/36/98/358223698.db2.gz AQYGQLUINPOQSQ-UHFFFAOYSA-N 0 0 211.261 2.447 50 0 BEAARN Cc1cc(C(=O)N2CCO[C@@H](C)C2)sc1C ZINC000044892775 358556742 /nfs/dbraw/zinc/55/67/42/358556742.db2.gz GUZGQCPMQBYTEA-VIFPVBQESA-N 0 0 239.340 2.226 50 0 BEAARN CC[C@@H](C)N(C)C(=O)c1cnc2onc(C)c2c1 ZINC000059892167 358921420 /nfs/dbraw/zinc/92/14/20/358921420.db2.gz OKQYFFCZGROPOY-MRVPVSSYSA-N 0 0 247.298 2.402 50 0 BEAARN C[C@@H](N[C@H](C)c1ccccn1)c1nccn1C ZINC000070443533 359054899 /nfs/dbraw/zinc/05/48/99/359054899.db2.gz RDOGAVVWTQSKIQ-GHMZBOCLSA-N 0 0 230.315 2.227 50 0 BEAARN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)no1 ZINC000075895263 359245473 /nfs/dbraw/zinc/24/54/73/359245473.db2.gz AWXRIOMPXPSWGE-NXEZZACHSA-N 0 0 226.345 2.309 50 0 BEAARN Cc1nsc(N2CC[C@@H](C)C[C@H]2C)n1 ZINC000248003594 359251649 /nfs/dbraw/zinc/25/16/49/359251649.db2.gz GQAQDOWIHABMJE-HTQZYQBOSA-N 0 0 211.334 2.471 50 0 BEAARN Cn1cc(Nc2ncnc3sccc32)cn1 ZINC000035781656 359375732 /nfs/dbraw/zinc/37/57/32/359375732.db2.gz ZPIDPMKLIFNYNB-UHFFFAOYSA-N 0 0 231.284 2.168 50 0 BEAARN O=c1[nH]c(-c2ccccc2O)nc2ccccc21 ZINC000005072886 359654206 /nfs/dbraw/zinc/65/42/06/359654206.db2.gz OVVWPYNVWLHEGE-UHFFFAOYSA-N 0 0 238.246 2.296 50 0 aggregator,biogenic BEAARN COCC1(CNc2nc(C)cc(C)n2)CCCC1 ZINC000450918305 202308168 /nfs/dbraw/zinc/30/81/68/202308168.db2.gz IGEUSQBHJBVCBZ-UHFFFAOYSA-N 0 0 249.358 2.134 50 0 BEAARN CCOC(=O)c1ccc(F)nc1C(F)(F)F ZINC000385823644 359860886 /nfs/dbraw/zinc/86/08/86/359860886.db2.gz NHLXRLQZFYQBTD-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN O=C(c1ccccn1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000089878932 360043584 /nfs/dbraw/zinc/04/35/84/360043584.db2.gz XGWAGNPPXBGYFK-AAEUAGOBSA-N 0 0 230.311 2.486 50 0 BEAARN CCOc1ccc([C@H](C)NC(C)=O)cc1 ZINC000006554350 360082115 /nfs/dbraw/zinc/08/21/15/360082115.db2.gz YKDSIUMQCPPFHS-VIFPVBQESA-N 0 0 207.273 2.282 50 0 BEAARN CC(C)N1Cc2ccccc2O[C@@H](C)C1=O ZINC000064542459 360157437 /nfs/dbraw/zinc/15/74/37/360157437.db2.gz BHYBZJXUDWZLGR-JTQLQIEISA-N 0 0 219.284 2.205 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@]12CC[C@@H](O)C2 ZINC000306538456 360400866 /nfs/dbraw/zinc/40/08/66/360400866.db2.gz MKWIKFJAUQCTMU-ZWNOBZJWSA-N 0 0 241.331 2.301 50 0 BEAARN Cn1c2ccc(N)cc2nc1-c1ccco1 ZINC000004543039 360472988 /nfs/dbraw/zinc/47/29/88/360472988.db2.gz UNAIQHDZAUXUEU-UHFFFAOYSA-N 0 0 213.240 2.416 50 0 BEAARN Cc1ccc(C(=O)Nc2nc(C)cc(C)n2)o1 ZINC000004749084 360475924 /nfs/dbraw/zinc/47/59/24/360475924.db2.gz SXKDVGASDHWHBT-UHFFFAOYSA-N 0 0 231.255 2.247 50 0 BEAARN CC(C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000005439839 360490110 /nfs/dbraw/zinc/49/01/10/360490110.db2.gz XJDZPEQUHCRXFM-UHFFFAOYSA-N 0 0 246.310 2.408 50 0 BEAARN CCCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000036076014 360563250 /nfs/dbraw/zinc/56/32/50/360563250.db2.gz MDPDTDCSFSZNRK-ZDUSSCGKSA-N 0 0 233.311 2.387 50 0 BEAARN C/C(=C1\N=C(C)OC1=O)c1ccccc1 ZINC000169461405 360545871 /nfs/dbraw/zinc/54/58/71/360545871.db2.gz DWVQEMHQNWOTDC-DHZHZOJOSA-N 0 0 201.225 2.393 50 0 BEAARN NC(=O)c1cccc(CC(=O)c2ccccc2)c1 ZINC000000161877 181303866 /nfs/dbraw/zinc/30/38/66/181303866.db2.gz DLIMHJASWFYFOX-UHFFFAOYSA-N 0 0 239.274 2.211 50 0 BEAARN NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000000125194 181304397 /nfs/dbraw/zinc/30/43/97/181304397.db2.gz KXRBIKHMBTVXSC-UHFFFAOYSA-N 0 0 240.262 2.038 50 0 BEAARN NC(=O)c1cccnc1NC1CCCCCC1 ZINC000022976912 181307385 /nfs/dbraw/zinc/30/73/85/181307385.db2.gz CVFINJJNXMDJDI-UHFFFAOYSA-N 0 0 233.315 2.315 50 0 BEAARN Cc1cc(C(=O)N(C)C2CCCCC2)on1 ZINC000006738072 360704463 /nfs/dbraw/zinc/70/44/63/360704463.db2.gz RNZATCFCIIMGDW-UHFFFAOYSA-N 0 0 222.288 2.388 50 0 BEAARN CCn1ccc(C(=O)Nc2ccc(F)cc2)n1 ZINC000006742474 360708865 /nfs/dbraw/zinc/70/88/65/360708865.db2.gz ZTPGGQRFCNWXPH-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN NC(=O)c1ccccc1NC(=O)CC1CCCC1 ZINC000006528582 181306658 /nfs/dbraw/zinc/30/66/58/181306658.db2.gz ORNJBXVPJZCFGT-UHFFFAOYSA-N 0 0 246.310 2.304 50 0 BEAARN NC(=O)c1cccnc1-c1cnc2ccccc2c1 ZINC000020869422 181307222 /nfs/dbraw/zinc/30/72/22/181307222.db2.gz SCRSUYWMYUUOMW-UHFFFAOYSA-N 0 0 249.273 2.396 50 0 BEAARN CC(C)(O)Cc1cccc(Br)n1 ZINC000071625081 200661033 /nfs/dbraw/zinc/66/10/33/200661033.db2.gz SLUXYSRNGUAGSL-UHFFFAOYSA-N 0 0 230.105 2.158 50 0 BEAARN COCc1ccccc1C(=O)Nc1cccnc1 ZINC000046189867 200655895 /nfs/dbraw/zinc/65/58/95/200655895.db2.gz VRTGVKJXQFIAJM-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN NC(=S)Nc1ccc(Cl)nc1Cl ZINC000084845385 181319764 /nfs/dbraw/zinc/31/97/64/181319764.db2.gz BUCIELRKJVZURG-UHFFFAOYSA-N 0 0 222.100 2.044 50 0 BEAARN NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000000088828 181319794 /nfs/dbraw/zinc/31/97/94/181319794.db2.gz OVJVZVPEMXLKOE-UHFFFAOYSA-N 0 0 204.657 2.135 50 0 BEAARN COC(=O)c1cc(F)ncc1C(F)(F)F ZINC000238365099 360950111 /nfs/dbraw/zinc/95/01/11/360950111.db2.gz BRPLJDHBWDQYCN-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN NC(=S)Nc1ccc(F)cc1Cl ZINC000020368740 181319837 /nfs/dbraw/zinc/31/98/37/181319837.db2.gz KPCYYLJQEQWDJG-UHFFFAOYSA-N 0 0 204.657 2.135 50 0 BEAARN NC(=S)Nc1ccc2ccccc2c1 ZINC000002140950 181319279 /nfs/dbraw/zinc/31/92/79/181319279.db2.gz JCGVEGFEGJLZDW-UHFFFAOYSA-N 0 0 202.282 2.495 50 0 BEAARN COCOc1cc(Br)ccc1OC ZINC000036373872 360995644 /nfs/dbraw/zinc/99/56/44/360995644.db2.gz TWHPNWMJJYXOSY-UHFFFAOYSA-N 0 0 247.088 2.440 50 0 BEAARN NC(=S)c1cc(F)cc(Br)c1 ZINC000083360534 181320719 /nfs/dbraw/zinc/32/07/19/181320719.db2.gz LVXJYUGBKULKMC-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN CC(C)OCCCNC(=O)Cc1ccccc1 ZINC000006859568 361006724 /nfs/dbraw/zinc/00/67/24/361006724.db2.gz NWQQENUSUOTLHG-UHFFFAOYSA-N 0 0 235.327 2.160 50 0 BEAARN Cc1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 ZINC000006887209 361083954 /nfs/dbraw/zinc/08/39/54/361083954.db2.gz RSVSXKIVEYEQFC-UHFFFAOYSA-N 0 0 243.262 2.363 50 0 BEAARN Cc1cccc(C(=O)O[C@@H]2CCCC[C@H]2O)c1 ZINC000006924220 361140459 /nfs/dbraw/zinc/14/04/59/361140459.db2.gz JPURYESJVOFUNF-CHWSQXEVSA-N 0 0 234.295 2.455 50 0 BEAARN Cc1ccc(-n2cccc2CC(=O)N(C)C)cc1 ZINC000065170852 361157556 /nfs/dbraw/zinc/15/75/56/361157556.db2.gz YZICBEIOVVJMIO-UHFFFAOYSA-N 0 0 242.322 2.416 50 0 BEAARN CCc1nc(-c2cccc(OC)c2OC)nn1C ZINC000426376584 200981698 /nfs/dbraw/zinc/98/16/98/200981698.db2.gz WHUTZUVNCFJPFN-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN CN(C)c1ccccc1-c1cnn2cccnc12 ZINC000426395450 200983159 /nfs/dbraw/zinc/98/31/59/200983159.db2.gz WUVAIMPTRPUESZ-UHFFFAOYSA-N 0 0 238.294 2.462 50 0 BEAARN Cn1nccc1-c1ccc2c(c1)CN(C)C(=O)N2 ZINC000426633715 200994264 /nfs/dbraw/zinc/99/42/64/200994264.db2.gz BLMGKJSLXMTRME-UHFFFAOYSA-N 0 0 242.282 2.064 50 0 BEAARN O=C(c1ccco1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041194577 361450107 /nfs/dbraw/zinc/45/01/07/361450107.db2.gz FVODVCOPXMIWGK-QWRGUYRKSA-N 0 0 235.283 2.063 50 0 BEAARN CO[C@H]1CCCN(C(=O)Nc2cccs2)C1 ZINC000238978331 361521940 /nfs/dbraw/zinc/52/19/40/361521940.db2.gz ZZFWWBLGOVYIHA-VIFPVBQESA-N 0 0 240.328 2.391 50 0 BEAARN CSc1ccc(C)c(C(=O)N(C)C)c1 ZINC000032752781 363846203 /nfs/dbraw/zinc/84/62/03/363846203.db2.gz XYIHHKSAIHPKJU-UHFFFAOYSA-N 0 0 209.314 2.419 50 0 BEAARN CN(CC1CCCCC1)C(=O)c1cnn(C)c1 ZINC000032753016 363846464 /nfs/dbraw/zinc/84/64/64/363846464.db2.gz NHHXVKMLXFYFFH-UHFFFAOYSA-N 0 0 235.331 2.072 50 0 BEAARN O=C(c1ccc(O)cc1)c1cccc(O)c1 ZINC000038221268 363900738 /nfs/dbraw/zinc/90/07/38/363900738.db2.gz LJQVLJXQHTULEP-UHFFFAOYSA-N 0 0 214.220 2.329 50 0 BEAARN CC(C)CC(=O)NC(=O)NCCc1ccccc1 ZINC000002198703 363900768 /nfs/dbraw/zinc/90/07/68/363900768.db2.gz WFKQHFWLPIPAHR-UHFFFAOYSA-N 0 0 248.326 2.101 50 0 BEAARN Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)c(C)c1 ZINC000007610193 363930011 /nfs/dbraw/zinc/93/00/11/363930011.db2.gz SXFAYERKVJFERF-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 BEAARN CC(C)c1nccn1[C@H]1CCCC[C@@H]1O ZINC000037694211 364527509 /nfs/dbraw/zinc/52/75/09/364527509.db2.gz IYRJOXOSRJODCP-QWRGUYRKSA-N 0 0 208.305 2.483 50 0 BEAARN CC1(C)CN(C(=O)C2CCC2)CCS1 ZINC000081851923 364554336 /nfs/dbraw/zinc/55/43/36/364554336.db2.gz RMEIINLKNFOIDD-UHFFFAOYSA-N 0 0 213.346 2.141 50 0 BEAARN [NH3+]CCCCCC(=O)CCCCCC(=O)[O-] ZINC000003074822 181373541 /nfs/dbraw/zinc/37/35/41/181373541.db2.gz ZYUIIFJKSLWWHG-UHFFFAOYSA-N 0 0 229.320 2.110 50 0 BEAARN C[C@@H](NC(=O)NC1CC1)c1ccc(F)cc1 ZINC000012893052 541486712 /nfs/dbraw/zinc/48/67/12/541486712.db2.gz YZLNXJPUSDKABS-MRVPVSSYSA-N 0 0 222.263 2.348 50 0 BEAARN CC[C@@H](C)NC(=O)c1cn2c(cccc2C)n1 ZINC000032873704 541501882 /nfs/dbraw/zinc/50/18/82/541501882.db2.gz MGVODWSFIFOTDT-SECBINFHSA-N 0 0 231.299 2.171 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)n1ccnc1 ZINC000032891602 541502101 /nfs/dbraw/zinc/50/21/01/541502101.db2.gz BONOPNSJDHXUKY-SNVBAGLBSA-N 0 0 207.277 2.116 50 0 BEAARN C[C@H]1Oc2c(cccc2C(=O)N(C)C)[C@H]1C ZINC000032820095 541502319 /nfs/dbraw/zinc/50/23/19/541502319.db2.gz NSSNZERKLFXAST-DTWKUNHWSA-N 0 0 219.284 2.273 50 0 BEAARN Cn1c2ccc(N)cc2nc1-c1ccc(N)cc1 ZINC000000298315 367606549 /nfs/dbraw/zinc/60/65/49/367606549.db2.gz SZDAWVLYVIAXCB-UHFFFAOYSA-N 0 0 238.294 2.405 50 0 BEAARN Clc1ccc2nnc(Cc3ccccc3)n2n1 ZINC000002702322 368068815 /nfs/dbraw/zinc/06/88/15/368068815.db2.gz TURKZWDFAPMZAE-UHFFFAOYSA-N 0 0 244.685 2.369 50 0 BEAARN CSC(=N)/N=c1\sc2ccccc2n1C ZINC000019861633 368371762 /nfs/dbraw/zinc/37/17/62/368371762.db2.gz RAXMPOZLLVKRKC-ZYDLSSLZSA-N 0 0 237.353 2.438 50 0 BEAARN O=C1NCCS[C@@H]1c1ccccc1Cl ZINC000019878370 368371882 /nfs/dbraw/zinc/37/18/82/368371882.db2.gz CTBPEEKWIHCWEV-SECBINFHSA-N 0 0 227.716 2.244 50 0 BEAARN O=C(c1ccccc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000020096165 368373264 /nfs/dbraw/zinc/37/32/64/368373264.db2.gz TYIAFXPYIXTPJH-NZEXEKPDSA-N 0 0 242.274 2.067 50 0 BEAARN CCOC(=O)c1c(C)cc(F)cc1F ZINC000204948543 368398980 /nfs/dbraw/zinc/39/89/80/368398980.db2.gz WDWNQVJVUYQWKS-UHFFFAOYSA-N 0 0 200.184 2.450 50 0 BEAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CO)CC1 ZINC000146574018 368394407 /nfs/dbraw/zinc/39/44/07/368394407.db2.gz KSXPGASLEFGROT-XYPYZODXSA-N 0 0 243.347 2.310 50 0 BEAARN COC(=O)c1ccccc1Oc1ncccc1N ZINC000000712197 368583097 /nfs/dbraw/zinc/58/30/97/368583097.db2.gz YVUIQDGGQYTXPX-UHFFFAOYSA-N 0 0 244.250 2.243 50 0 BEAARN C[C@H](c1cccnc1)N(C)C(=O)c1cccn1C ZINC000068171587 368716359 /nfs/dbraw/zinc/71/63/59/368716359.db2.gz LDSSVKOCKJAIAV-LLVKDONJSA-N 0 0 243.310 2.253 50 0 BEAARN CN(C)c1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000003162951 368866053 /nfs/dbraw/zinc/86/60/53/368866053.db2.gz SOYRNYDJSIZAFO-SECBINFHSA-N 0 0 219.206 2.348 50 0 BEAARN COCC1(CNc2ccncc2F)CCCC1 ZINC000584884529 369032821 /nfs/dbraw/zinc/03/28/21/369032821.db2.gz FESNVQJVWHBFSZ-UHFFFAOYSA-N 0 0 238.306 2.261 50 0 BEAARN COc1cccc2ncn(C3(C)CCC3)c(=O)c21 ZINC000584889330 369036836 /nfs/dbraw/zinc/03/68/36/369036836.db2.gz QILBCHHECWGSIY-UHFFFAOYSA-N 0 0 244.294 2.304 50 0 BEAARN COCCC(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000584890662 369038564 /nfs/dbraw/zinc/03/85/64/369038564.db2.gz BQEKZUPVSYVTIP-ZDUSSCGKSA-N 0 0 239.359 2.452 50 0 BEAARN O=C(NC1CCCC1)N1CCC(F)(F)CC1 ZINC000404829545 369437711 /nfs/dbraw/zinc/43/77/11/369437711.db2.gz XCYTZCVOBLXQFQ-UHFFFAOYSA-N 0 0 232.274 2.370 50 0 BEAARN CCc1nc(-c2cnccn2)sc1C ZINC000060511050 369490030 /nfs/dbraw/zinc/49/00/30/369490030.db2.gz OEKVWFGPCGSKIE-UHFFFAOYSA-N 0 0 205.286 2.471 50 0 BEAARN CC[C@@H](C)CC(=O)Nc1ccsc1C(N)=O ZINC000225405550 370549374 /nfs/dbraw/zinc/54/93/74/370549374.db2.gz UPQNAJXRJOULAN-SSDOTTSWSA-N 0 0 240.328 2.222 50 0 BEAARN CCN(CC)C(=O)c1ccc(Cl)nc1 ZINC000019270832 371129938 /nfs/dbraw/zinc/12/99/38/371129938.db2.gz DEWSDUANQYRLFT-UHFFFAOYSA-N 0 0 212.680 2.217 50 0 BEAARN COc1ccc(COC(=O)c2ccco2)cn1 ZINC000078949392 371157813 /nfs/dbraw/zinc/15/78/13/371157813.db2.gz MRUMAGDATSULQL-UHFFFAOYSA-N 0 0 233.223 2.040 50 0 BEAARN CCN1CC[NH+](Cc2sccc2C)CC1 ZINC000019536459 371161595 /nfs/dbraw/zinc/16/15/95/371161595.db2.gz DQCVIQSITMBYDZ-UHFFFAOYSA-N 0 0 224.373 2.194 50 0 BEAARN Cc1cc(C)c(NC(=O)N(C)C)c(Cl)n1 ZINC000078975106 371161613 /nfs/dbraw/zinc/16/16/13/371161613.db2.gz MYHCQOWKIRFISD-UHFFFAOYSA-N 0 0 227.695 2.445 50 0 BEAARN NNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000003885874 181517073 /nfs/dbraw/zinc/51/70/73/181517073.db2.gz XBRSXLNWZPRQIP-UHFFFAOYSA-N 0 0 249.311 2.161 50 0 BEAARN NNCc1cccc(OCc2ccccc2)c1 ZINC000019171994 181517658 /nfs/dbraw/zinc/51/76/58/181517658.db2.gz ATASXDMOXSIVPT-UHFFFAOYSA-N 0 0 228.295 2.229 50 0 BEAARN Nc1ccc2nnc(-c3cccs3)n2c1 ZINC000019753825 371187905 /nfs/dbraw/zinc/18/79/05/371187905.db2.gz CJAOHYASYGNKNO-UHFFFAOYSA-N 0 0 216.269 2.040 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1 ZINC000001235073 181539607 /nfs/dbraw/zinc/53/96/07/181539607.db2.gz WYWOTSWUJAQKCG-ZDUSSCGKSA-N 0 0 249.310 2.483 50 0 BEAARN Cc1ccc(O)c(C(=O)CN2CCCCC2)c1 ZINC000019898869 371198816 /nfs/dbraw/zinc/19/88/16/371198816.db2.gz IVOGFTMEFXLLKZ-UHFFFAOYSA-N 0 0 233.311 2.369 50 0 BEAARN CC(=O)[C@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000390826468 371237119 /nfs/dbraw/zinc/23/71/19/371237119.db2.gz MASKKZQOOMCUDM-NSHDSACASA-N 0 0 241.294 2.045 50 0 BEAARN O=C(C1CCCC1)N1CC[C@H](OCC2CC2)C1 ZINC000390832223 371239469 /nfs/dbraw/zinc/23/94/69/371239469.db2.gz YCHAFTZUHHCURX-ZDUSSCGKSA-N 0 0 237.343 2.204 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000000054332 181612264 /nfs/dbraw/zinc/61/22/64/181612264.db2.gz ACJWNKAQMZQVBW-MRVPVSSYSA-N 0 0 234.082 2.468 50 0 BEAARN Nc1c(Cl)nc(Cl)nc1C(F)(F)F ZINC000001683943 181668283 /nfs/dbraw/zinc/66/82/83/181668283.db2.gz ADJRDPPTOGKOHU-UHFFFAOYSA-N 0 0 231.992 2.384 50 0 BEAARN OC1(c2nc(-c3ccccn3)no2)CCCCC1 ZINC000125434902 371351706 /nfs/dbraw/zinc/35/17/06/371351706.db2.gz NHKVYMBVBAJLDO-UHFFFAOYSA-N 0 0 245.282 2.283 50 0 BEAARN CCCCN(C)c1ncnc2onc(C)c21 ZINC000020941889 371354871 /nfs/dbraw/zinc/35/48/71/371354871.db2.gz WCDFUDNYQYOBCF-UHFFFAOYSA-N 0 0 220.276 2.163 50 0 BEAARN Nc1cc(C2N=NC(=S)O2)ccc1Cl ZINC000000175195 181675031 /nfs/dbraw/zinc/67/50/31/181675031.db2.gz GDMJXGYBQDLMCB-UHFFFAOYSA-N 0 0 227.676 2.261 50 0 BEAARN CCOC(=O)Cc1ccc(N)cc1Cl ZINC000095914978 371357732 /nfs/dbraw/zinc/35/77/32/371357732.db2.gz FEHGDBZUKAEGSO-UHFFFAOYSA-N 0 0 213.664 2.028 50 0 BEAARN Nc1cc(Br)cnc1NC1CC1 ZINC000036226330 181677434 /nfs/dbraw/zinc/67/74/34/181677434.db2.gz ZCNVBYQYAOBKJB-UHFFFAOYSA-N 0 0 228.093 2.001 50 0 BEAARN Nc1c(Cl)cc(C(=O)NC2CC2)cc1Cl ZINC000000394604 181666749 /nfs/dbraw/zinc/66/67/49/181666749.db2.gz ZOEINVZGXJXJIR-UHFFFAOYSA-N 0 0 245.109 2.468 50 0 BEAARN Nc1ccc(C(=O)N2CCCC2)c(Cl)c1 ZINC000008732473 181699566 /nfs/dbraw/zinc/69/95/66/181699566.db2.gz GFUOTURTLDWQEO-UHFFFAOYSA-N 0 0 224.691 2.158 50 0 BEAARN Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000020155197 181709976 /nfs/dbraw/zinc/70/99/76/181709976.db2.gz MQNFUAUURHFKJW-UHFFFAOYSA-N 0 0 224.691 2.158 50 0 BEAARN Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000021036284 181712377 /nfs/dbraw/zinc/71/23/77/181712377.db2.gz NWBFUGRXSUCCTO-UHFFFAOYSA-N 0 0 219.219 2.335 50 0 BEAARN Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000123098 181746111 /nfs/dbraw/zinc/74/61/11/181746111.db2.gz DNCIKRMVVUFNGX-UHFFFAOYSA-N 0 0 202.213 2.114 50 0 BEAARN Nc1ccccc1NC(=O)c1ccccc1N ZINC000000225971 181756038 /nfs/dbraw/zinc/75/60/38/181756038.db2.gz IJSGPQVTSQQXJG-UHFFFAOYSA-N 0 0 227.267 2.103 50 0 BEAARN CC1(C)C[C@@H](NC(=O)c2cccnc2)C(C)(C)O1 ZINC000097047100 371540320 /nfs/dbraw/zinc/54/03/20/371540320.db2.gz MATNPKHPIFCMTH-LLVKDONJSA-N 0 0 248.326 2.158 50 0 BEAARN CCCC[C@@H](CCC)NC(=O)N1CCOCC1 ZINC000096452413 371495261 /nfs/dbraw/zinc/49/52/61/371495261.db2.gz NCNWOQVKVQLTRC-GFCCVEGCSA-N 0 0 242.363 2.387 50 0 BEAARN CCN(Cc1ccoc1)c1nc(C)ns1 ZINC000096456174 371495776 /nfs/dbraw/zinc/49/57/76/371495776.db2.gz FNDWVADCCKYKHK-UHFFFAOYSA-N 0 0 223.301 2.466 50 0 BEAARN CCc1nsc(SCc2ncccn2)n1 ZINC000225624308 371561829 /nfs/dbraw/zinc/56/18/29/371561829.db2.gz IILMVYBVWUDBMD-UHFFFAOYSA-N 0 0 238.341 2.183 50 0 BEAARN COc1cc(C=O)c(Br)c(OC)c1 ZINC000002569475 371596254 /nfs/dbraw/zinc/59/62/54/371596254.db2.gz SOKPGTRDTOKLPD-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN Nc1nc2c(s1)[C@H](c1ccccc1)CC(=O)N2 ZINC000012376140 181791996 /nfs/dbraw/zinc/79/19/96/181791996.db2.gz NYTDQYAFVXMVKC-QMMMGPOBSA-N 0 0 245.307 2.199 50 0 BEAARN Nc1nc2cccc(OC(F)(F)F)c2o1 ZINC000097757411 181794093 /nfs/dbraw/zinc/79/40/93/181794093.db2.gz GEZBQDWRZXGYPC-UHFFFAOYSA-N 0 0 218.134 2.309 50 0 BEAARN Nc1nc2cnc3ccccc3c2s1 ZINC000008672988 181794305 /nfs/dbraw/zinc/79/43/05/181794305.db2.gz XNJAINQKRZAMIG-UHFFFAOYSA-N 0 0 201.254 2.427 50 0 BEAARN Nc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000036222693 181795588 /nfs/dbraw/zinc/79/55/88/181795588.db2.gz ZVJJMPKXAOGXMK-UHFFFAOYSA-N 0 0 249.320 2.295 50 0 BEAARN COC[C@H](C)NC(=S)Nc1ccc(F)cc1 ZINC000003274173 371939928 /nfs/dbraw/zinc/93/99/28/371939928.db2.gz PLGIOLNDDGAAQN-QMMMGPOBSA-N 0 0 242.319 2.147 50 0 BEAARN O=C(OC[C@H]1CCCO1)c1cccnc1Cl ZINC000003184224 371905890 /nfs/dbraw/zinc/90/58/90/371905890.db2.gz HIGUMXDGQDTRRI-MRVPVSSYSA-N 0 0 241.674 2.071 50 0 BEAARN CC(=O)Oc1coc2cc(OC(C)=O)ccc12 ZINC000003199085 371909423 /nfs/dbraw/zinc/90/94/23/371909423.db2.gz BFMFMWYEEGVQSB-UHFFFAOYSA-N 0 0 234.207 2.283 50 0 biogenic BEAARN Cc1ccc(CNC(=O)c2ccccn2)cc1 ZINC000003328582 371958289 /nfs/dbraw/zinc/95/82/89/371958289.db2.gz IPQGJKYDPVNOEO-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN O=C(/C=C/c1ccccc1)NO[C@H]1CCCCO1 ZINC000058330696 181841186 /nfs/dbraw/zinc/84/11/86/181841186.db2.gz PIAVDHSMEFIWFS-HBWSCVEGSA-N 0 0 247.294 2.274 50 0 BEAARN O=C(/C=C/c1ccco1)Nc1cccnc1 ZINC000012341515 181843769 /nfs/dbraw/zinc/84/37/69/181843769.db2.gz ZETGWKCJXLTOQB-AATRIKPKSA-N 0 0 214.224 2.327 50 0 BEAARN O=C(/C=C/c1ccco1)O[C@H]1CCCCC1=O ZINC000003338976 181845465 /nfs/dbraw/zinc/84/54/65/181845465.db2.gz CQOVNZAPAGORCD-GUOLPTJISA-N 0 0 234.251 2.348 50 0 BEAARN O=C(/C=C\c1ccncc1)NCc1ccco1 ZINC000098004630 181850762 /nfs/dbraw/zinc/85/07/62/181850762.db2.gz TVEDQKZYRAHDDP-ARJAWSKDSA-N 0 0 228.251 2.004 50 0 BEAARN O=C(/C=C\c1cccs1)N1CCCC1 ZINC000033690918 181851145 /nfs/dbraw/zinc/85/11/45/181851145.db2.gz SAQRFTXEEJESMY-WAYWQWQTSA-N 0 0 207.298 2.384 50 0 BEAARN Cc1csc(CCNC(=O)C(C)(C)C)n1 ZINC000031848990 372117369 /nfs/dbraw/zinc/11/73/69/372117369.db2.gz JUGSXLBUIXMVFC-UHFFFAOYSA-N 0 0 226.345 2.156 50 0 BEAARN O=C(C1CC=CC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072293482 181865135 /nfs/dbraw/zinc/86/51/35/181865135.db2.gz ZCXMDOXWWNEING-GFCCVEGCSA-N 0 0 245.326 2.082 50 0 BEAARN O=C1C[C@@H]2CCC[C@@H](c3ccccc3)[C@@]2(O)O1 ZINC000004023400 372118992 /nfs/dbraw/zinc/11/89/92/372118992.db2.gz ZMWQOEWNVDTTKC-OBJOEFQTSA-N 0 0 232.279 2.206 50 0 biogenic BEAARN CN(C)c1ncccc1C(=O)Nc1ccccc1 ZINC000031663045 372088075 /nfs/dbraw/zinc/08/80/75/372088075.db2.gz HYIQFUQXJGQJQG-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN Cn1cc(/C=C2\CCCc3nccnc32)cn1 ZINC000606445256 372104851 /nfs/dbraw/zinc/10/48/51/372104851.db2.gz BGFXKAWARVDYMB-YRNVUSSQSA-N 0 0 226.283 2.087 50 0 BEAARN C[C@@H](N=[N+]=[N-])c1nc2ccccc2c(=O)[nH]1 ZINC000004114656 372145850 /nfs/dbraw/zinc/14/58/50/372145850.db2.gz BRWGMOHRTCVQBT-ZCFIWIBFSA-N 0 0 215.216 2.294 50 0 BEAARN CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004156458 372153051 /nfs/dbraw/zinc/15/30/51/372153051.db2.gz YATFILGBMGSWTE-UHFFFAOYSA-N 0 0 225.247 2.456 50 0 BEAARN CN(c1ncnc2nc[nH]c21)C1CCCCC1 ZINC000004225170 372175671 /nfs/dbraw/zinc/17/56/71/372175671.db2.gz OZPJIMVEOOWKCR-UHFFFAOYSA-N 0 0 231.303 2.122 50 0 BEAARN O=C(CCn1cccc1)N1CCc2ccccc21 ZINC000004076943 372130184 /nfs/dbraw/zinc/13/01/84/372130184.db2.gz LUXCSVBWRJAUNW-UHFFFAOYSA-N 0 0 240.306 2.468 50 0 BEAARN CCCCN1C(=N)C(CC)(CC)C(=O)NC1=O ZINC000002299599 168824499 /nfs/dbraw/zinc/82/44/99/168824499.db2.gz HBCSPFFSJHXUQO-UHFFFAOYSA-N 0 0 239.319 2.122 50 0 BEAARN CCc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000004316597 372201806 /nfs/dbraw/zinc/20/18/06/372201806.db2.gz PEJXQYDCBBWSJR-UHFFFAOYSA-N 0 0 228.255 2.099 50 0 BEAARN C[C@@H](CN(C)c1ccccc1)NC(=O)C1CC1 ZINC000066456324 372301813 /nfs/dbraw/zinc/30/18/13/372301813.db2.gz UBEOKMPGXBVCCW-NSHDSACASA-N 0 0 232.327 2.038 50 0 BEAARN CCCCN1c2ccccc2C(=O)C1=O ZINC000001793631 168825323 /nfs/dbraw/zinc/82/53/23/168825323.db2.gz POEDHWVTLBLWDA-UHFFFAOYSA-N 0 0 203.241 2.016 50 0 BEAARN CCCOc1ccc(CO)nc1Cl ZINC000140921147 372834256 /nfs/dbraw/zinc/83/42/56/372834256.db2.gz MMDKIXXNBDCSLW-UHFFFAOYSA-N 0 0 201.653 2.016 50 0 BEAARN O=C(COc1ccc2ccccc2c1)N1CCC1 ZINC000012978778 182001876 /nfs/dbraw/zinc/00/18/76/182001876.db2.gz LBTSOOOPERTSQN-UHFFFAOYSA-N 0 0 241.290 2.451 50 0 BEAARN O=C(COc1ccccc1)NCc1ccsc1 ZINC000013698073 182003423 /nfs/dbraw/zinc/00/34/23/182003423.db2.gz YJKKONGIJDSOIR-UHFFFAOYSA-N 0 0 247.319 2.443 50 0 BEAARN O=C(CSc1ccccc1)N1CCCC1 ZINC000000561733 182009239 /nfs/dbraw/zinc/00/92/39/182009239.db2.gz PEHILLCDALOINM-UHFFFAOYSA-N 0 0 221.325 2.401 50 0 BEAARN O=C(CSc1ccccc1)N1CCC1 ZINC000012978529 182009415 /nfs/dbraw/zinc/00/94/15/182009415.db2.gz IZKXPKRHLLLLBR-UHFFFAOYSA-N 0 0 207.298 2.011 50 0 BEAARN O=C(C[C@H]1C=CCC1)NCc1ccco1 ZINC000040465270 182025198 /nfs/dbraw/zinc/02/51/98/182025198.db2.gz AMAGZYZORFFDSF-JTQLQIEISA-N 0 0 205.257 2.252 50 0 BEAARN O=C(C[C@H]1C=CCC1)NC[C@@H]1CCCS1 ZINC000089598145 182024810 /nfs/dbraw/zinc/02/48/10/182024810.db2.gz KLRJGAWAKTXEJR-QWRGUYRKSA-N 0 0 225.357 2.355 50 0 BEAARN O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1CF ZINC000294219337 182024222 /nfs/dbraw/zinc/02/42/22/182024222.db2.gz WCUCEBJTHDWDDX-WDEREUQCSA-N 0 0 211.280 2.303 50 0 BEAARN O=C(Cc1cccc(F)c1)NC1CCCC1 ZINC000012932686 182040528 /nfs/dbraw/zinc/04/05/28/182040528.db2.gz RYTUZPGTSRUFCN-UHFFFAOYSA-N 0 0 221.275 2.427 50 0 BEAARN O=C(Cc1ccc(F)cc1)NCc1ccncc1 ZINC000002989376 182035251 /nfs/dbraw/zinc/03/52/51/182035251.db2.gz VZZZXQJLAZUIKE-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1ccc(F)cc1)C(F)(F)F ZINC000002517999 182035568 /nfs/dbraw/zinc/03/55/68/182035568.db2.gz RXEDPCRQZJYHIX-UHFFFAOYSA-N 0 0 206.138 2.500 50 0 BEAARN O=C(Cc1ccc(Cl)cc1F)NC1CC1 ZINC000071754949 182035757 /nfs/dbraw/zinc/03/57/57/182035757.db2.gz OFGDGGUHQNVGJP-UHFFFAOYSA-N 0 0 227.666 2.300 50 0 BEAARN O=C(Cc1cccc(F)c1)NCc1ccccn1 ZINC000012545175 182040835 /nfs/dbraw/zinc/04/08/35/182040835.db2.gz QLTATASQQIGFBS-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1cccc(F)c1)NCc1cccnc1 ZINC000019934886 182040406 /nfs/dbraw/zinc/04/04/06/182040406.db2.gz JTNBORPSYMKGQA-UHFFFAOYSA-N 0 0 244.269 2.080 50 0 BEAARN O=C(Cc1cccc(F)c1)C(F)(F)F ZINC000002517998 182040439 /nfs/dbraw/zinc/04/04/39/182040439.db2.gz KODHAZYEAJMZCZ-UHFFFAOYSA-N 0 0 206.138 2.500 50 0 BEAARN O=C(Cc1ccccc1F)Nc1nccs1 ZINC000000363399 182045580 /nfs/dbraw/zinc/04/55/80/182045580.db2.gz RCSJAGGNMPCZHI-UHFFFAOYSA-N 0 0 236.271 2.463 50 0 BEAARN O=C(Cc1cccs1)N[C@@H]1CC[C@H](F)C1 ZINC000336560647 182052981 /nfs/dbraw/zinc/05/29/81/182052981.db2.gz BVUVBSUZUPPJBB-DTWKUNHWSA-N 0 0 227.304 2.297 50 0 BEAARN O=C(Cc1cccs1)NCc1ccco1 ZINC000000372670 182053031 /nfs/dbraw/zinc/05/30/31/182053031.db2.gz DFLQGUYWSYUWKS-UHFFFAOYSA-N 0 0 221.281 2.200 50 0 BEAARN COC[C@H](C)NC(=O)c1c(F)cccc1Cl ZINC000040042856 373094674 /nfs/dbraw/zinc/09/46/74/373094674.db2.gz KTEKEDXBSKGRIR-ZETCQYMHSA-N 0 0 245.681 2.244 50 0 BEAARN O=C(Cn1ccccc1=O)c1ccccc1Cl ZINC000000072574 182066869 /nfs/dbraw/zinc/06/68/69/182066869.db2.gz OXCMETYSHQLHQR-UHFFFAOYSA-N 0 0 247.681 2.385 50 0 BEAARN O=C(NC1=NCCS1)c1cc(Cl)cs1 ZINC000306310298 182093382 /nfs/dbraw/zinc/09/33/82/182093382.db2.gz QEEZIIFGGJZGSZ-UHFFFAOYSA-N 0 0 246.744 2.234 50 0 BEAARN O=C(NC1CC1)C1(c2ccccc2)CCC1 ZINC000032892724 182094950 /nfs/dbraw/zinc/09/49/50/182094950.db2.gz CXAFFBWWMPCORQ-UHFFFAOYSA-N 0 0 215.296 2.387 50 0 BEAARN O=C(NC1(C(F)F)CC1)c1cccs1 ZINC000336250757 182089038 /nfs/dbraw/zinc/08/90/38/182089038.db2.gz JFKKTQRDGVFGRD-UHFFFAOYSA-N 0 0 217.240 2.276 50 0 BEAARN CCOC(=O)C(Cl)=NNc1cccc(F)c1 ZINC000245285565 373250110 /nfs/dbraw/zinc/25/01/10/373250110.db2.gz XQMSUQFIHSSTAP-UHFFFAOYSA-N 0 0 244.653 2.353 50 0 BEAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 ZINC000004628334 182091763 /nfs/dbraw/zinc/09/17/63/182091763.db2.gz LFNKEMHLHNYJOK-MFORYBBRSA-N 0 0 249.354 2.250 50 0 BEAARN O=C(NC1CCC(F)(F)CC1)C1CC1 ZINC000307331587 182101683 /nfs/dbraw/zinc/10/16/83/182101683.db2.gz PIGHCGICNNCOLU-UHFFFAOYSA-N 0 0 203.232 2.091 50 0 BEAARN O=C(NC1CC1)c1ncoc1-c1ccccc1 ZINC000064556764 182102053 /nfs/dbraw/zinc/10/20/53/182102053.db2.gz BDCXPOLIISUIJO-UHFFFAOYSA-N 0 0 228.251 2.234 50 0 BEAARN CC(C)c1noc(CN2CCC[C@H](C)C2)n1 ZINC000040489559 373315434 /nfs/dbraw/zinc/31/54/34/373315434.db2.gz YNLSRZIZWBKTCB-JTQLQIEISA-N 0 0 223.320 2.425 50 0 BEAARN CCc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000040489760 373317442 /nfs/dbraw/zinc/31/74/42/373317442.db2.gz FHCRDRYCSHKKOK-UWVGGRQHSA-N 0 0 240.372 2.315 50 0 BEAARN O=C(NC1CC1)[C@@H]1CCCc2ccccc21 ZINC000012908799 182098736 /nfs/dbraw/zinc/09/87/36/182098736.db2.gz POCAQJPFEIHGGF-CYBMUJFWSA-N 0 0 215.296 2.385 50 0 BEAARN COc1ccc(CN(C)C(=O)C2CC2)cc1F ZINC000040461307 373280705 /nfs/dbraw/zinc/28/07/05/373280705.db2.gz DKAYZXYLNSMOOV-UHFFFAOYSA-N 0 0 237.274 2.203 50 0 BEAARN O=C(NC1CC1)c1cc(-c2ccccc2)on1 ZINC000031333962 182100452 /nfs/dbraw/zinc/10/04/52/182100452.db2.gz JEIMILOSMPBAEZ-UHFFFAOYSA-N 0 0 228.251 2.234 50 0 BEAARN O=C(NC1CCCCC1)c1cc2n(n1)CCCC2 ZINC000064542614 182112286 /nfs/dbraw/zinc/11/22/86/182112286.db2.gz KKBAIELZSJDDGE-UHFFFAOYSA-N 0 0 247.342 2.282 50 0 BEAARN O=C(NC1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000007951287 182110131 /nfs/dbraw/zinc/11/01/31/182110131.db2.gz BGLOKDVMPXRUDB-ZDUSSCGKSA-N 0 0 231.295 2.049 50 0 BEAARN O=C(NC(C1CC1)C1CC1)NC1CCCC1 ZINC000029320739 182110549 /nfs/dbraw/zinc/11/05/49/182110549.db2.gz WCMJPAJKULAYCK-UHFFFAOYSA-N 0 0 222.332 2.417 50 0 BEAARN CC(C)c1nc(CC(=O)N2CCCC2)cs1 ZINC000040523191 373446720 /nfs/dbraw/zinc/44/67/20/373446720.db2.gz LUTMZFLENXIUSJ-UHFFFAOYSA-N 0 0 238.356 2.431 50 0 BEAARN CC(C)C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000040534929 373460652 /nfs/dbraw/zinc/46/06/52/373460652.db2.gz YUMPTQFITLTHSH-VXGBXAGGSA-N 0 0 227.348 2.354 50 0 BEAARN COC(=O)N1CCC(c2nccs2)CC1 ZINC000040623502 373567462 /nfs/dbraw/zinc/56/74/62/373567462.db2.gz ARYLGOSCFPILFD-UHFFFAOYSA-N 0 0 226.301 2.089 50 0 BEAARN O=C(NCCC1CCCC1)c1cccnc1 ZINC000020385373 182156056 /nfs/dbraw/zinc/15/60/56/182156056.db2.gz XMSITMDXEUXOMB-UHFFFAOYSA-N 0 0 218.300 2.392 50 0 BEAARN O=C(NCCC1CCCC1)NCC(F)(F)F ZINC000097150764 182156316 /nfs/dbraw/zinc/15/63/16/182156316.db2.gz QJQDKFWKKAIIAH-UHFFFAOYSA-N 0 0 238.253 2.428 50 0 BEAARN O=C(NCCCc1ccccc1)c1ccncc1 ZINC000002983250 182175129 /nfs/dbraw/zinc/17/51/29/182175129.db2.gz RXNFXDKBTBJBIB-UHFFFAOYSA-N 0 0 240.306 2.444 50 0 BEAARN O=C(NCCCn1cccc1)c1ccsc1 ZINC000049028582 182176854 /nfs/dbraw/zinc/17/68/54/182176854.db2.gz CFCJDOIPYTVMPG-UHFFFAOYSA-N 0 0 234.324 2.370 50 0 BEAARN O=C(NCC[C@@H](CCO)c1ccccc1)C1CC1 ZINC000206624098 182197291 /nfs/dbraw/zinc/19/72/91/182197291.db2.gz UMTOKQOSJWJEQF-ZDUSSCGKSA-N 0 0 247.338 2.069 50 0 BEAARN O=C(NCC[C@@H](O)c1cccs1)C1CCC1 ZINC000077113068 182198914 /nfs/dbraw/zinc/19/89/14/182198914.db2.gz LZEDSYSWQGNSMZ-SNVBAGLBSA-N 0 0 239.340 2.088 50 0 BEAARN O=C(NCCc1ccc(Cl)s1)C1CC1 ZINC000049007986 182201427 /nfs/dbraw/zinc/20/14/27/182201427.db2.gz AKUJXMQZPZEFRL-UHFFFAOYSA-N 0 0 229.732 2.470 50 0 BEAARN O=C(NCCc1c[nH]cn1)c1cccc(Cl)c1 ZINC000005613682 182201492 /nfs/dbraw/zinc/20/14/92/182201492.db2.gz YRYRNHMRUONZDX-UHFFFAOYSA-N 0 0 249.701 2.036 50 0 BEAARN O=C(NCCc1ccc(Cl)s1)NC1CC1 ZINC000047719398 182201565 /nfs/dbraw/zinc/20/15/65/182201565.db2.gz MRZBKVRMESDIBI-UHFFFAOYSA-N 0 0 244.747 2.406 50 0 BEAARN O=C(NCCc1c[nH]c2ccccc12)NC1CC1 ZINC000010278160 182202125 /nfs/dbraw/zinc/20/21/25/182202125.db2.gz GUNACQCCHULEIV-UHFFFAOYSA-N 0 0 243.310 2.172 50 0 BEAARN O=C(NCCc1cccc(F)c1)c1ccc[nH]1 ZINC000057910592 182202629 /nfs/dbraw/zinc/20/26/29/182202629.db2.gz LXKJQGOEPBJKGU-UHFFFAOYSA-N 0 0 232.258 2.126 50 0 BEAARN O=C(NCCc1ccccn1)c1ccccc1 ZINC000004185264 182205487 /nfs/dbraw/zinc/20/54/87/182205487.db2.gz POIFKAIWAMHITC-UHFFFAOYSA-N 0 0 226.279 2.054 50 0 BEAARN O=C(NCCn1cccc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000096449880 182213677 /nfs/dbraw/zinc/21/36/77/182213677.db2.gz XQOQKFLYYGFBKS-NWDGAFQWSA-N 0 0 244.294 2.001 50 0 BEAARN O=C(NCCc1ccco1)c1cccs1 ZINC000004783870 182207165 /nfs/dbraw/zinc/20/71/65/182207165.db2.gz IUVDTSFQJOFWAJ-UHFFFAOYSA-N 0 0 221.281 2.314 50 0 BEAARN O=C(NCCc1cccnc1)c1cccs1 ZINC000023874817 182207188 /nfs/dbraw/zinc/20/71/88/182207188.db2.gz ZEWFDLZAJMLMGG-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN O=C(NCCc1ccncc1)c1cc(Cl)c[nH]1 ZINC000358299241 182209470 /nfs/dbraw/zinc/20/94/70/182209470.db2.gz WBZNIZPWICMDDB-UHFFFAOYSA-N 0 0 249.701 2.036 50 0 BEAARN CCCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041194510 374118019 /nfs/dbraw/zinc/11/80/19/374118019.db2.gz XIYDXOVBCWBWIY-RYUDHWBXSA-N 0 0 225.332 2.347 50 0 BEAARN O=C(c1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041194610 374119108 /nfs/dbraw/zinc/11/91/08/374119108.db2.gz CVTYJDOOFJNMQB-ZIAGYGMSSA-N 0 0 245.322 2.470 50 0 BEAARN CCCc1cc(=O)n(-c2ccc(C)cc2)[nH]1 ZINC000009419044 374125086 /nfs/dbraw/zinc/12/50/86/374125086.db2.gz PILXHADODUXSLK-UHFFFAOYSA-N 0 0 216.284 2.427 50 0 BEAARN CC(=O)Nc1cccc(C(=O)N[C@H](C)C(C)C)c1 ZINC000009364108 374104094 /nfs/dbraw/zinc/10/40/94/374104094.db2.gz NIWYCIPEZMJNDW-SNVBAGLBSA-N 0 0 248.326 2.419 50 0 BEAARN CSCCC(=O)N[C@@H](C)c1ccccn1 ZINC000070704672 374180227 /nfs/dbraw/zinc/18/02/27/374180227.db2.gz BVYALQRPVWVMQF-VIFPVBQESA-N 0 0 224.329 2.012 50 0 BEAARN Cc1nc(CNC(=O)c2ccc[nH]2)sc1C ZINC000041570585 374147602 /nfs/dbraw/zinc/14/76/02/374147602.db2.gz YPJMICKPKPSZIP-UHFFFAOYSA-N 0 0 235.312 2.018 50 0 BEAARN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2O)o1 ZINC000009669327 374192369 /nfs/dbraw/zinc/19/23/69/374192369.db2.gz LPQBIFUDGPCYHK-ZDUSSCGKSA-N 0 0 243.262 2.235 50 0 BEAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000001055702 182253198 /nfs/dbraw/zinc/25/31/98/182253198.db2.gz JVUIAGILKKGFTQ-NSHDSACASA-N 0 0 239.702 2.135 50 0 BEAARN O=C(CCc1ccccc1)Nc1ncccc1O ZINC000009694425 374213917 /nfs/dbraw/zinc/21/39/17/374213917.db2.gz SENFLNKMXCHBNG-UHFFFAOYSA-N 0 0 242.278 2.359 50 0 BEAARN O=C(NCc1ccccc1)NC1CCCC1 ZINC000013015317 182255280 /nfs/dbraw/zinc/25/52/80/182255280.db2.gz SJIDJHDHGFFNES-UHFFFAOYSA-N 0 0 218.300 2.428 50 0 BEAARN O=C(NCc1ccco1)c1cccc(F)c1 ZINC000002479916 182263091 /nfs/dbraw/zinc/26/30/91/182263091.db2.gz NEJGZJJQNITATG-UHFFFAOYSA-N 0 0 219.215 2.349 50 0 BEAARN O=C(NCc1cccs1)Nc1cccnc1 ZINC000040474220 182264453 /nfs/dbraw/zinc/26/44/53/182264453.db2.gz GJAIVOIPVICWIP-UHFFFAOYSA-N 0 0 233.296 2.465 50 0 BEAARN O=C(NCc1ccccc1)N1CCCCC1 ZINC000004840620 182256384 /nfs/dbraw/zinc/25/63/84/182256384.db2.gz XOFPKHCEEHDMMC-UHFFFAOYSA-N 0 0 218.300 2.382 50 0 BEAARN O=C(NCc1ccccc1)c1ccco1 ZINC000000347488 182257572 /nfs/dbraw/zinc/25/75/72/182257572.db2.gz SYUWFNHEYUYCHX-UHFFFAOYSA-N 0 0 201.225 2.210 50 0 BEAARN O=C(NCc1ccccn1)NC1CCCCC1 ZINC000000409020 182257935 /nfs/dbraw/zinc/25/79/35/182257935.db2.gz KZCYXBQETAHNGF-UHFFFAOYSA-N 0 0 233.315 2.214 50 0 BEAARN O=C(NCc1ccccn1)C1CCCCC1 ZINC000000341717 182258673 /nfs/dbraw/zinc/25/86/73/182258673.db2.gz SBAHRFCTWCOHMF-UHFFFAOYSA-N 0 0 218.300 2.278 50 0 BEAARN O=C(NCc1ccccn1)c1cccc(F)c1 ZINC000005395297 182260012 /nfs/dbraw/zinc/26/00/12/182260012.db2.gz NGORZQWWNOJHFP-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccccn1)c1cc(Cl)ccn1 ZINC000012538405 182260101 /nfs/dbraw/zinc/26/01/01/182260101.db2.gz CNKGPIQBNCHABX-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN O=C(NCc1ccncc1)c1cccs1 ZINC000000029585 182265477 /nfs/dbraw/zinc/26/54/77/182265477.db2.gz SHYLTZQXFJQUOX-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1nccs1)c1cccs1 ZINC000041535886 182275098 /nfs/dbraw/zinc/27/50/98/182275098.db2.gz UFBLWQDKRWAXLI-UHFFFAOYSA-N 0 0 224.310 2.135 50 0 BEAARN CCCCNC(=O)[C@H]1OCCc2ccccc21 ZINC000004838099 168859942 /nfs/dbraw/zinc/85/99/42/168859942.db2.gz RFWRLJQUDNYJPO-ZDUSSCGKSA-N 0 0 233.311 2.217 50 0 BEAARN O=C(NOCc1ccccc1)NC1CCCC1 ZINC000031037098 182283365 /nfs/dbraw/zinc/28/33/65/182283365.db2.gz ANXMVTCBVWUJMC-UHFFFAOYSA-N 0 0 234.299 2.360 50 0 BEAARN O=C(N[C@@H]1CCC[C@H](O)C1)OCc1ccccc1 ZINC000095698623 182298981 /nfs/dbraw/zinc/29/89/81/182298981.db2.gz FYIZIYCXUSGNLZ-OLZOCXBDSA-N 0 0 249.310 2.216 50 0 BEAARN O=C(N[C@@H](c1nccs1)C1CC1)C1CC1 ZINC000089885308 182289358 /nfs/dbraw/zinc/28/93/58/182289358.db2.gz WLBNXNZNZXQZRC-SECBINFHSA-N 0 0 222.313 2.120 50 0 BEAARN O=C(N[C@@H]1CCCC[C@@H]1O)OCc1ccccc1 ZINC000051990187 182292342 /nfs/dbraw/zinc/29/23/42/182292342.db2.gz IDQLGJJPYSFXPM-OLZOCXBDSA-N 0 0 249.310 2.216 50 0 BEAARN CCCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000002080941 168861819 /nfs/dbraw/zinc/86/18/19/168861819.db2.gz AMVFIDNKEHIPPE-UHFFFAOYSA-N 0 0 237.299 2.234 50 0 BEAARN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccco1 ZINC000004454576 182318129 /nfs/dbraw/zinc/31/81/29/182318129.db2.gz BJAKPGOJIDRMHT-IVZWLZJFSA-N 0 0 205.257 2.198 50 0 BEAARN CCCCNC(=O)c1ccccc1OC ZINC000005465851 168864580 /nfs/dbraw/zinc/86/45/80/168864580.db2.gz VNKGKMPGQVYXMM-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000001054248 182335131 /nfs/dbraw/zinc/33/51/31/182335131.db2.gz XVIUKCDSHXKHEU-KBPBESRZSA-N 0 0 245.322 2.359 50 0 BEAARN O=C(Nc1ccc(Cl)cc1O)c1cc[nH]n1 ZINC000095974003 182353419 /nfs/dbraw/zinc/35/34/19/182353419.db2.gz HPHVXZXPUBIOQX-UHFFFAOYSA-N 0 0 237.646 2.021 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000005768789 182354104 /nfs/dbraw/zinc/35/41/04/182354104.db2.gz QUVWWDSLHJTWPZ-SNVBAGLBSA-N 0 0 225.675 2.458 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)c1cnccn1 ZINC000000092129 182354502 /nfs/dbraw/zinc/35/45/02/182354502.db2.gz NIFBGRRVIPYJOA-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1)c1ncccn1 ZINC000072441585 182355363 /nfs/dbraw/zinc/35/53/63/182355363.db2.gz LTMADCOZQSQSIP-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1ccc(F)cn1)[C@@H]1CCCS1 ZINC000266556493 182358342 /nfs/dbraw/zinc/35/83/42/182358342.db2.gz MAMSECITERADSG-QMMMGPOBSA-N 0 0 226.276 2.055 50 0 BEAARN O=C(Nc1ccon1)Nc1ccc(O)cc1 ZINC000170588439 182359199 /nfs/dbraw/zinc/35/91/99/182359199.db2.gz CFBBMULNSRTFHP-UHFFFAOYSA-N 0 0 219.200 2.024 50 0 BEAARN O=C(Nc1ccc(O)cc1)N1CCCC1 ZINC000085960983 182359555 /nfs/dbraw/zinc/35/95/55/182359555.db2.gz BHLWXVFSKWTOMX-UHFFFAOYSA-N 0 0 206.245 2.020 50 0 BEAARN O=C(Nc1ccc(O)c(F)c1F)C1CC1 ZINC000335022111 182360032 /nfs/dbraw/zinc/36/00/32/182360032.db2.gz VYXPHRADAXKMOG-UHFFFAOYSA-N 0 0 213.183 2.019 50 0 BEAARN O=C(Nc1cccc(Cl)c1)C(=O)c1ccc[nH]1 ZINC000065083545 182368554 /nfs/dbraw/zinc/36/85/54/182368554.db2.gz QYZSTKKMBBSIJH-UHFFFAOYSA-N 0 0 248.669 2.490 50 0 BEAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000005756985 182367798 /nfs/dbraw/zinc/36/77/98/182367798.db2.gz WRBPJGGXEGKSGP-JTQLQIEISA-N 0 0 225.675 2.458 50 0 BEAARN O=C(Nc1cccc2nonc21)c1ccco1 ZINC000001432703 182374700 /nfs/dbraw/zinc/37/47/00/182374700.db2.gz MBYSAJOWCPOKJP-UHFFFAOYSA-N 0 0 229.195 2.068 50 0 BEAARN O=C(Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000001673043 182374752 /nfs/dbraw/zinc/37/47/52/182374752.db2.gz FTWUXYZHDFCGSV-UHFFFAOYSA-N 0 0 240.262 2.264 50 0 BEAARN O=C(Nc1cccc(Cl)c1)C1=COCCO1 ZINC000005560119 182368873 /nfs/dbraw/zinc/36/88/73/182368873.db2.gz CLFXNPWQBDUJQT-UHFFFAOYSA-N 0 0 239.658 2.167 50 0 BEAARN O=C(Nc1cccc2[nH]ccc21)N1CCOCC1 ZINC000071803360 182372365 /nfs/dbraw/zinc/37/23/65/182372365.db2.gz PZTGTESJKDXIBJ-UHFFFAOYSA-N 0 0 245.282 2.032 50 0 BEAARN O=C(Nc1cccc2cccnc21)[C@H]1CCCO1 ZINC000009602941 182373114 /nfs/dbraw/zinc/37/31/14/182373114.db2.gz QLMVZVUGQVWZOP-GFCCVEGCSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1ccon1)c1ccc(F)cc1 ZINC000013745730 182389422 /nfs/dbraw/zinc/38/94/22/182389422.db2.gz RLYMKJUNRBDBAZ-UHFFFAOYSA-N 0 0 206.176 2.066 50 0 BEAARN O=C(Nc1cn[nH]c1)c1cccc(Cl)c1 ZINC000035237526 182392736 /nfs/dbraw/zinc/39/27/36/182392736.db2.gz TVQBFEQXWVYNOY-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1cnc2ccnn2c1)[C@@H]1CC=CCC1 ZINC000225574101 182392756 /nfs/dbraw/zinc/39/27/56/182392756.db2.gz KQJMVVUMSODGFA-SNVBAGLBSA-N 0 0 242.282 2.024 50 0 BEAARN O=C(Nc1ccccc1NC(=O)C1CC1)C1CC1 ZINC000000142540 182379962 /nfs/dbraw/zinc/37/99/62/182379962.db2.gz ZZLQBHNIPYXDNO-UHFFFAOYSA-N 0 0 244.294 2.384 50 0 BEAARN O=C(Nc1ccccc1F)c1n[nH]cc1Cl ZINC000036624012 182379998 /nfs/dbraw/zinc/37/99/98/182379998.db2.gz MIRMHANYLPCSTD-UHFFFAOYSA-N 0 0 239.637 2.455 50 0 BEAARN O=C(Nc1cccnc1)C(Cl)(Cl)Cl ZINC000011535915 182383133 /nfs/dbraw/zinc/38/31/33/182383133.db2.gz IAJBRNJSFKORJC-UHFFFAOYSA-N 0 0 239.489 2.390 50 0 BEAARN O=C(Nc1ccccn1)c1cccnc1Cl ZINC000005395315 182383380 /nfs/dbraw/zinc/38/33/80/182383380.db2.gz AWHVQEZTXDJZHZ-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cccnc1)[C@@H]1CC=CCC1 ZINC000015826684 182383575 /nfs/dbraw/zinc/38/35/75/182383575.db2.gz ZXSSQGMXSPQJKO-SNVBAGLBSA-N 0 0 202.257 2.376 50 0 BEAARN O=C(Nc1cccnc1)c1ccc2c(c1)OCO2 ZINC000000030211 182384117 /nfs/dbraw/zinc/38/41/17/182384117.db2.gz IVVPXPMIOXBGHM-UHFFFAOYSA-N 0 0 242.234 2.063 50 0 BEAARN O=C(Nc1cccnc1)c1cccc(F)c1 ZINC000000258886 182384901 /nfs/dbraw/zinc/38/49/01/182384901.db2.gz ZITBGGJTKXRPNU-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccco1)OCC(F)(F)F ZINC000058038065 182385330 /nfs/dbraw/zinc/38/53/30/182385330.db2.gz JGFHPHSJQALYBE-UHFFFAOYSA-N 0 0 209.123 2.390 50 0 BEAARN O=C(Nc1ccncc1)c1cc(Cl)ccn1 ZINC000028668191 182385996 /nfs/dbraw/zinc/38/59/96/182385996.db2.gz BQKALHZTGTYCKZ-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccnnc1)N[C@H]1CC12CCCCC2 ZINC000297454082 182388672 /nfs/dbraw/zinc/38/86/72/182388672.db2.gz QYVMJQVNYJBROA-NSHDSACASA-N 0 0 246.314 2.321 50 0 BEAARN O=C(Nc1nc2ccccc2[nH]1)c1ccco1 ZINC000000476316 182398027 /nfs/dbraw/zinc/39/80/27/182398027.db2.gz ZVRZJITVEDLUKY-UHFFFAOYSA-N 0 0 227.223 2.408 50 0 BEAARN O=C(Nc1ncccc1O)c1ccc(Cl)o1 ZINC000022276393 182399411 /nfs/dbraw/zinc/39/94/11/182399411.db2.gz OULRESAJVZGNRK-UHFFFAOYSA-N 0 0 238.630 2.286 50 0 BEAARN O=C(Nc1cnns1)C1CCC(F)(F)CC1 ZINC000225613611 182396182 /nfs/dbraw/zinc/39/61/82/182396182.db2.gz FQXGDTMYSPDVPE-UHFFFAOYSA-N 0 0 247.270 2.302 50 0 BEAARN O=C([O-])[C@@]1(Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000004240992 182523944 /nfs/dbraw/zinc/52/39/44/182523944.db2.gz DUUJMFUJPCIUHO-LBPRGKRZSA-N 0 0 239.702 2.089 50 0 BEAARN O=C([O-])[C@H]1CC[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000004234470 182539572 /nfs/dbraw/zinc/53/95/72/182539572.db2.gz YTJTWNRDSJORDF-VHSXEESVSA-N 0 0 225.675 2.075 50 0 BEAARN O=C(O[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000004648755 182607362 /nfs/dbraw/zinc/60/73/62/182607362.db2.gz CIBMJUAZBFVYAB-VXGBXAGGSA-N 0 0 220.268 2.147 50 0 BEAARN O=C(Oc1ccc2c(c1)OCO2)c1ccoc1 ZINC000024472425 182608895 /nfs/dbraw/zinc/60/88/95/182608895.db2.gz FBTCDHGLHALKDT-UHFFFAOYSA-N 0 0 232.191 2.228 50 0 BEAARN CCCCOC(=O)[C@@H]1COc2ccccc2O1 ZINC000003290328 168886221 /nfs/dbraw/zinc/88/62/21/168886221.db2.gz JDJZCBAJNHKBDS-LBPRGKRZSA-N 0 0 236.267 2.170 50 0 BEAARN O=C(c1cc2ccccc2c(=O)o1)N1CCCC1 ZINC000000204814 182652549 /nfs/dbraw/zinc/65/25/49/182652549.db2.gz CZQZGQXUDMNNDL-UHFFFAOYSA-N 0 0 243.262 2.029 50 0 BEAARN O=C(c1ccco1)N1CCOC2(CCCC2)C1 ZINC000095422744 182685154 /nfs/dbraw/zinc/68/51/54/182685154.db2.gz LACTYWDUAGIHPG-UHFFFAOYSA-N 0 0 235.283 2.065 50 0 BEAARN O=C(c1ccco1)c1nc2c(n1O)CCCCC2 ZINC000000210494 182686203 /nfs/dbraw/zinc/68/62/03/182686203.db2.gz HPKFQCUDOHZVAZ-UHFFFAOYSA-N 0 0 246.266 2.213 50 0 BEAARN O=C(c1ccncc1)c1ccc(F)cc1 ZINC000002583439 182689616 /nfs/dbraw/zinc/68/96/16/182689616.db2.gz WTRWBYGUMQEFFI-UHFFFAOYSA-N 0 0 201.200 2.452 50 0 in-vivo BEAARN O=C1COc2cc(Cl)c(Cl)cc2N1 ZINC000062526691 182768801 /nfs/dbraw/zinc/76/88/01/182768801.db2.gz DOPQEOZCWNLSAT-UHFFFAOYSA-N 0 0 218.039 2.324 50 0 BEAARN O=C1CS/C(=C/c2nc3ccccc3s2)N1 ZINC000017888368 182770428 /nfs/dbraw/zinc/77/04/28/182770428.db2.gz XJWRTKVKIVPNKO-BJMVGYQFSA-N 0 0 248.332 2.458 50 0 BEAARN O=C1NC(c2ccccc2)=N/C1=C\c1ccco1 ZINC000004653603 182795175 /nfs/dbraw/zinc/79/51/75/182795175.db2.gz UKRXBEYPBBEKBK-XFXZXTDPSA-N 0 0 238.246 2.197 50 0 BEAARN O=C1C[C@@H](c2cccc(C(F)(F)F)c2)CN1 ZINC000022005487 182776815 /nfs/dbraw/zinc/77/68/15/182776815.db2.gz BTQCNBXBTKAVFB-MRVPVSSYSA-N 0 0 229.201 2.309 50 0 BEAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CN1 ZINC000039477433 182777110 /nfs/dbraw/zinc/77/71/10/182777110.db2.gz PDTLMKLERGEENQ-MRVPVSSYSA-N 0 0 229.201 2.309 50 0 BEAARN O=C1NCCCC[C@H]1Nc1ccc2c(c1)CCC2 ZINC000012523396 182799510 /nfs/dbraw/zinc/79/95/10/182799510.db2.gz LRDOLQKBSMAVMO-CQSZACIVSA-N 0 0 244.338 2.256 50 0 BEAARN O=C1NCCN1c1ccc(OC(F)(F)F)cc1 ZINC000012336595 182804269 /nfs/dbraw/zinc/80/42/69/182804269.db2.gz VXYIJGXRRJDGGE-UHFFFAOYSA-N 0 0 246.188 2.115 50 0 BEAARN O=C1c2ccccc2C(=O)N1c1cccc(O)c1 ZINC000000151583 182844675 /nfs/dbraw/zinc/84/46/75/182844675.db2.gz FZZOXPGVXDMPMS-UHFFFAOYSA-N 0 0 239.230 2.193 50 0 BEAARN O=C1O[C@@H](N2CCCCC2)c2ccccc21 ZINC000020324431 182834681 /nfs/dbraw/zinc/83/46/81/182834681.db2.gz HJVZILLPTGZKJV-GFCCVEGCSA-N 0 0 217.268 2.342 50 0 BEAARN O=Cc1ccccc1S(=O)(=O)c1ccccc1 ZINC000000312559 182872718 /nfs/dbraw/zinc/87/27/18/182872718.db2.gz CWKMIEALBOKDCD-UHFFFAOYSA-N 0 0 246.287 2.332 50 0 BEAARN CCCC[C@@H](C)n1[nH]c(=O)c2c1[nH]c(=O)cc2C ZINC000009359787 168950138 /nfs/dbraw/zinc/95/01/38/168950138.db2.gz IFSZEJZEMKAYGZ-SECBINFHSA-N 0 0 249.314 2.490 50 0 BEAARN O=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000026420439 182998585 /nfs/dbraw/zinc/99/85/85/182998585.db2.gz CCUDPJRJYMOUDL-UHFFFAOYSA-N 0 0 212.661 2.152 50 0 BEAARN O=c1ccc2cc3ccoc3c(O)c2o1 ZINC000000895404 183000540 /nfs/dbraw/zinc/00/05/40/183000540.db2.gz JWVYQQGERKEAHW-UHFFFAOYSA-N 0 0 202.165 2.245 50 0 endogenous,in-man BEAARN O=c1oc2cccnc2n1Cc1ccccc1 ZINC000000127064 183013558 /nfs/dbraw/zinc/01/35/58/183013558.db2.gz WRQQKMHBUJXSQG-UHFFFAOYSA-N 0 0 226.235 2.038 50 0 BEAARN O=c1c(-c2ccccc2)c(O)nc2ccccn21 ZINC000104094011 183010876 /nfs/dbraw/zinc/01/08/76/183010876.db2.gz GBBNKBLSGZSWHW-UHFFFAOYSA-N 0 0 238.246 2.067 50 0 BEAARN O=c1nc2n(c3ccsc31)Cc1ccccc1-2 ZINC000036611839 183011486 /nfs/dbraw/zinc/01/14/86/183011486.db2.gz KCZISIDEXVCMPZ-UHFFFAOYSA-N 0 0 240.287 2.487 50 0 BEAARN O=c1sc2c(s1)SCCS2 ZINC000000369744 183012664 /nfs/dbraw/zinc/01/26/64/183012664.db2.gz NMNDMYIFMUGDMA-UHFFFAOYSA-N 0 0 208.354 2.368 50 0 BEAARN O=C1C(=Cc2ccco2)CCC1=C1NCCN1 ZINC000023623040 183024442 /nfs/dbraw/zinc/02/44/42/183024442.db2.gz CIDKCCRMGGBCIM-CMDGGOBGSA-N 0 0 230.267 2.271 50 0 BEAARN OCCC1(CNc2cnccn2)CCCCC1 ZINC000267804011 183042956 /nfs/dbraw/zinc/04/29/56/183042956.db2.gz KQBRPDALHDYNBC-UHFFFAOYSA-N 0 0 235.331 2.221 50 0 BEAARN OCCCOc1cccc(Br)c1 ZINC000019786139 183061510 /nfs/dbraw/zinc/06/15/10/183061510.db2.gz LJACQNZRKNJEHV-UHFFFAOYSA-N 0 0 231.089 2.210 50 0 BEAARN OCCNc1ccnc2ccc(Cl)cc21 ZINC000041474787 183080715 /nfs/dbraw/zinc/08/07/15/183080715.db2.gz OFVQSWHSTNKHDI-UHFFFAOYSA-N 0 0 222.675 2.292 50 0 BEAARN OCCNc1ncc(C(F)(F)F)cc1Cl ZINC000040412083 183080735 /nfs/dbraw/zinc/08/07/35/183080735.db2.gz MQQPZWGDVJVBGE-UHFFFAOYSA-N 0 0 240.612 2.158 50 0 BEAARN OCCSCCCOc1ccccc1 ZINC000022782423 183087241 /nfs/dbraw/zinc/08/72/41/183087241.db2.gz PCJVRCVFKDZWKF-UHFFFAOYSA-N 0 0 212.314 2.181 50 0 BEAARN OCCOc1ncc(C(F)(F)F)cc1Cl ZINC000066323334 183087630 /nfs/dbraw/zinc/08/76/30/183087630.db2.gz JFFVSZPRUYRXOJ-UHFFFAOYSA-N 0 0 241.596 2.125 50 0 BEAARN OCCOc1ccc(-c2ccccc2)nc1 ZINC000096007503 183088756 /nfs/dbraw/zinc/08/87/56/183088756.db2.gz FZZWPUBYMXNDQF-UHFFFAOYSA-N 0 0 215.252 2.120 50 0 BEAARN CCCCn1ccnc1[C@H](O)C(F)(F)F ZINC000008132975 169037378 /nfs/dbraw/zinc/03/73/78/169037378.db2.gz XZIZSQIAXRVGKW-ZETCQYMHSA-N 0 0 222.210 2.279 50 0 BEAARN CCCCn1nnnc1NCc1ccccc1C ZINC000006697580 169041327 /nfs/dbraw/zinc/04/13/27/169041327.db2.gz VVLGRWSOCWNXIH-UHFFFAOYSA-N 0 0 245.330 2.394 50 0 BEAARN OCc1c(Br)ccc(F)c1F ZINC000021985434 183160271 /nfs/dbraw/zinc/16/02/71/183160271.db2.gz PQCCBLCCPKTSHG-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN OCc1cc(-c2ccc(Cl)cc2)on1 ZINC000005675849 183160964 /nfs/dbraw/zinc/16/09/64/183160964.db2.gz WTWQKJNNBWALNH-UHFFFAOYSA-N 0 0 209.632 2.487 50 0 BEAARN O[C@@H](CSCc1nccs1)C(F)(F)F ZINC000170608258 183183230 /nfs/dbraw/zinc/18/32/30/183183230.db2.gz KUUJTHCEUAPSOQ-YFKPBYRVSA-N 0 0 243.275 2.300 50 0 BEAARN O[C@@H](CSc1ccccn1)C(F)(F)F ZINC000001390050 183183815 /nfs/dbraw/zinc/18/38/15/183183815.db2.gz LNJBMCJJFXBVIB-LURJTMIESA-N 0 0 223.219 2.097 50 0 BEAARN O[C@@H](CSCC1CCC1)C(F)(F)F ZINC000191133686 183183878 /nfs/dbraw/zinc/18/38/78/183183878.db2.gz HAQHFKVIJVTQIX-ZETCQYMHSA-N 0 0 214.252 2.443 50 0 BEAARN OCc1cccc(-c2cccc(CO)c2)c1 ZINC000001257451 183167808 /nfs/dbraw/zinc/16/78/08/183167808.db2.gz VEOUUDAQOPKAEX-UHFFFAOYSA-N 0 0 214.264 2.338 50 0 BEAARN OCc1cccc(NCc2ccco2)c1 ZINC000037048410 183168023 /nfs/dbraw/zinc/16/80/23/183168023.db2.gz QOCFYYXBBOMKGP-UHFFFAOYSA-N 0 0 203.241 2.384 50 0 BEAARN OCc1ccncc1NCc1ccccc1 ZINC000095972339 183169201 /nfs/dbraw/zinc/16/92/01/183169201.db2.gz OHDXJUAEHUIMQC-UHFFFAOYSA-N 0 0 214.268 2.186 50 0 BEAARN OCc1nc(-c2ccccc2)n2ccccc12 ZINC000000064915 183170211 /nfs/dbraw/zinc/17/02/11/183170211.db2.gz YRUVSOKXGXGSBM-UHFFFAOYSA-N 0 0 224.263 2.494 50 0 BEAARN O[C@@H](Cc1nc(C2CC2)no1)c1cccc(F)c1 ZINC000170085486 183184727 /nfs/dbraw/zinc/18/47/27/183184727.db2.gz NYLCLCOPTTYDOA-NSHDSACASA-N 0 0 248.257 2.362 50 0 BEAARN O[C@@H](CCc1ccncc1)COc1ccccc1 ZINC000008700998 183174304 /nfs/dbraw/zinc/17/43/04/183174304.db2.gz PPGASKBPYAWHDD-AWEZNQCLSA-N 0 0 243.306 2.454 50 0 BEAARN O[C@@H]1CCC[C@@H]1Nc1ccncc1Cl ZINC000097104655 183195968 /nfs/dbraw/zinc/19/59/68/183195968.db2.gz QIQBHGUBPIHVQU-VHSXEESVSA-N 0 0 212.680 2.060 50 0 BEAARN O[C@@H]1CCN(Cc2cc(Cl)ccc2F)C1 ZINC000128089490 183197960 /nfs/dbraw/zinc/19/79/60/183197960.db2.gz PZAWQCDKVJWZMQ-SNVBAGLBSA-N 0 0 229.682 2.046 50 0 BEAARN O[C@@H]1CCOc2cc(Br)ccc21 ZINC000087015848 183201771 /nfs/dbraw/zinc/20/17/71/183201771.db2.gz CORGRUDPFWKFGE-MRVPVSSYSA-N 0 0 229.073 2.265 50 0 BEAARN O[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000040460801 183193423 /nfs/dbraw/zinc/19/34/23/183193423.db2.gz GTULZLWTOQSNHQ-LLVKDONJSA-N 0 0 243.709 2.436 50 0 BEAARN O[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000040460797 183193824 /nfs/dbraw/zinc/19/38/24/183193824.db2.gz UZLUUALBTKRABY-SNVBAGLBSA-N 0 0 248.351 2.253 50 0 BEAARN CCCN(C)S(=O)(=O)Cc1ccccc1C ZINC000071897432 169082702 /nfs/dbraw/zinc/08/27/02/169082702.db2.gz PHYRNASGNJBEQH-UHFFFAOYSA-N 0 0 241.356 2.167 50 0 BEAARN O[C@H](Cc1ccncc1)C(Cl)(Cl)Cl ZINC000000162253 183227902 /nfs/dbraw/zinc/22/79/02/183227902.db2.gz NGTDJJKTGRNNAU-SSDOTTSWSA-N 0 0 240.517 2.355 50 0 in-vitro BEAARN O[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000021983386 183230242 /nfs/dbraw/zinc/23/02/42/183230242.db2.gz DKEGHLJMSDFYLF-LBPRGKRZSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@H]1CNc2c1c(F)ccc2Br ZINC000169725898 183245248 /nfs/dbraw/zinc/24/52/48/183245248.db2.gz NDEIXRQNNSFXFL-LURJTMIESA-N 0 0 232.052 2.047 50 0 BEAARN Oc1ccc(-c2nnc3ccccn32)cc1 ZINC000036437423 183265885 /nfs/dbraw/zinc/26/58/85/183265885.db2.gz YMDIQUOFZQEJGT-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN O=c1ccc(Cc2cccc(Cl)c2)n[nH]1 ZINC000004024242 183271379 /nfs/dbraw/zinc/27/13/79/183271379.db2.gz ABAMGNCNGWXHCB-UHFFFAOYSA-N 0 0 220.659 2.426 50 0 BEAARN CCCN(CC1CC1)C(=O)Nc1nncs1 ZINC000043130456 169135248 /nfs/dbraw/zinc/13/52/48/169135248.db2.gz ZOFFGXKLLILEDA-UHFFFAOYSA-N 0 0 240.332 2.192 50 0 BEAARN CCCN(CCC)C(=O)Cn1nc(C)cc1C ZINC000053365794 169141869 /nfs/dbraw/zinc/14/18/69/169141869.db2.gz ZKCPLAKVVIQCNZ-UHFFFAOYSA-N 0 0 237.347 2.149 50 0 BEAARN O=c1cc(C(F)(F)F)nc(-c2ccncc2)[nH]1 ZINC000004024498 183257028 /nfs/dbraw/zinc/25/70/28/183257028.db2.gz XMNMTBUCSOFHDQ-UHFFFAOYSA-N 0 0 241.172 2.263 50 0 BEAARN CCCN(CCC)C(=O)[C@@H](C)n1cccn1 ZINC000097130887 169143897 /nfs/dbraw/zinc/14/38/97/169143897.db2.gz ONDVGPSVBATTTP-LLVKDONJSA-N 0 0 223.320 2.093 50 0 BEAARN Oc1cc2c[nH]nc2cc1Br ZINC000089197401 183263017 /nfs/dbraw/zinc/26/30/17/183263017.db2.gz ZKVBYEQUNGMVQI-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN Oc1cccc(-c2nc(-c3ccccn3)n[nH]2)c1 ZINC000000505339 183287876 /nfs/dbraw/zinc/28/78/76/183287876.db2.gz YQCDEMBHCVGFFP-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN Oc1cccc(-c2nnc(-c3cccnc3)[nH]2)c1 ZINC000005996439 183288357 /nfs/dbraw/zinc/28/83/57/183288357.db2.gz NKTJSTFFPPFRAW-UHFFFAOYSA-N 0 0 238.250 2.239 50 0 BEAARN Oc1cccc(CCNc2cncc(Cl)n2)c1 ZINC000076062866 183288394 /nfs/dbraw/zinc/28/83/94/183288394.db2.gz BZGJTFRBHKVPQU-UHFFFAOYSA-N 0 0 249.701 2.490 50 0 BEAARN CCCN(Cc1ccsc1)C(=O)COC ZINC000044447050 169179963 /nfs/dbraw/zinc/17/99/63/169179963.db2.gz XVTGYEKXKVLOKZ-UHFFFAOYSA-N 0 0 227.329 2.133 50 0 BEAARN CCCN1C(=O)CN(c2ccccc2)C1=S ZINC000098073043 169183347 /nfs/dbraw/zinc/18/33/47/169183347.db2.gz PTIVYVAHVUQNOJ-UHFFFAOYSA-N 0 0 234.324 2.030 50 0 BEAARN [O-][n+]1ccc(-c2ccc(Cl)cc2)nc1 ZINC000000340561 183318513 /nfs/dbraw/zinc/31/85/13/183318513.db2.gz LIVSMFBOUOQUBZ-UHFFFAOYSA-N 0 0 206.632 2.035 50 0 BEAARN O=C1N=NC(C=Cc2ccc(F)cc2)O1 ZINC000004657248 183308866 /nfs/dbraw/zinc/30/88/66/183308866.db2.gz RBFMGYABONJBID-ZZXKWVIFSA-N 0 0 206.176 2.085 50 0 BEAARN O=c1[nH]n(-c2ccc(F)cc2)c2ncccc12 ZINC000001397116 183309056 /nfs/dbraw/zinc/30/90/56/183309056.db2.gz XSCKAXWCWRBEJM-UHFFFAOYSA-N 0 0 229.214 2.265 50 0 BEAARN O=c1[nH]nc(-c2cccnc2)cc1C(F)(F)F ZINC000043464358 183309440 /nfs/dbraw/zinc/30/94/40/183309440.db2.gz FKAYLTBNFRVQMU-UHFFFAOYSA-N 0 0 241.172 2.263 50 0 BEAARN CCCNC(=O)COc1cc(C)ccc1C ZINC000002986026 169231292 /nfs/dbraw/zinc/23/12/92/169231292.db2.gz PYIDLYIXVILQKW-UHFFFAOYSA-N 0 0 221.300 2.208 50 0 BEAARN CCCNC(=O)CSCc1cnc(C)s1 ZINC000068977058 169231786 /nfs/dbraw/zinc/23/17/86/169231786.db2.gz QXGMJWRUPBMJTN-UHFFFAOYSA-N 0 0 244.385 2.211 50 0 BEAARN CCCNC(=O)C(=O)c1c(C)[nH]c2ccccc21 ZINC000004163476 169214007 /nfs/dbraw/zinc/21/40/07/169214007.db2.gz IAFDBWZFYUNFEL-UHFFFAOYSA-N 0 0 244.294 2.185 50 0 BEAARN CCCNC(=O)CCCOc1ccccc1 ZINC000040459997 169215621 /nfs/dbraw/zinc/21/56/21/169215621.db2.gz KZQOOIHFYKOHJU-UHFFFAOYSA-N 0 0 221.300 2.372 50 0 BEAARN CCCNC(=O)NCCc1c[nH]c2ccccc12 ZINC000002582425 169236710 /nfs/dbraw/zinc/23/67/10/169236710.db2.gz WTIASEFLGMEIDF-UHFFFAOYSA-N 0 0 245.326 2.420 50 0 BEAARN CCCNC(=O)NCc1ccc(C)cc1 ZINC000010218951 169237333 /nfs/dbraw/zinc/23/73/33/169237333.db2.gz USPHFLUUANMVLS-UHFFFAOYSA-N 0 0 206.289 2.204 50 0 BEAARN CCCNC(=O)Nc1cccc(C(=O)OC)c1 ZINC000003171227 169240138 /nfs/dbraw/zinc/24/01/38/169240138.db2.gz ISFOKSMLTCFVRN-UHFFFAOYSA-N 0 0 236.271 2.005 50 0 BEAARN c1ccc(-c2cnc3cncnc3n2)cc1 ZINC000000331375 183380663 /nfs/dbraw/zinc/38/06/63/183380663.db2.gz DOKUXKCHVYVEKT-UHFFFAOYSA-N 0 0 208.224 2.087 50 0 BEAARN CCCNC(=O)[C@H](C)Oc1ccccc1C ZINC000006138691 169247088 /nfs/dbraw/zinc/24/70/88/169247088.db2.gz PZCDEXGJUPQZDK-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN c1nc(-c2ccccc2)nn1Cc1ccccn1 ZINC000154569748 183383576 /nfs/dbraw/zinc/38/35/76/183383576.db2.gz RVNMWIWVXPASOZ-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN c1ccc(-c2nnc3n2CCCS3)cc1 ZINC000010312535 183384344 /nfs/dbraw/zinc/38/43/44/183384344.db2.gz FGMBUFVQGSVNHM-UHFFFAOYSA-N 0 0 217.297 2.441 50 0 BEAARN c1coc(-c2nc(-c3ccccn3)no2)c1 ZINC000000352196 183384648 /nfs/dbraw/zinc/38/46/48/183384648.db2.gz MKZUFQNXBHOCHV-UHFFFAOYSA-N 0 0 213.196 2.392 50 0 BEAARN CCCNC(=O)c1ccc(Cl)c(N)c1 ZINC000019092329 169251831 /nfs/dbraw/zinc/25/18/31/169251831.db2.gz YRIUVHASSWIDON-UHFFFAOYSA-N 0 0 212.680 2.062 50 0 BEAARN c1ccc(C2(CNc3ncccn3)CC2)nc1 ZINC000170083735 183388027 /nfs/dbraw/zinc/38/80/27/183388027.db2.gz UKVNFINBQRAACN-UHFFFAOYSA-N 0 0 226.283 2.015 50 0 BEAARN CCCNS(=O)(=O)c1cc(Cl)ccc1C ZINC000037023791 169272981 /nfs/dbraw/zinc/27/29/81/169272981.db2.gz LIXNQIUNTUYONU-UHFFFAOYSA-N 0 0 247.747 2.337 50 0 BEAARN CCCOC(=O)[C@@H](C)Sc1nnc(C)s1 ZINC000095961275 169300171 /nfs/dbraw/zinc/30/01/71/169300171.db2.gz ZIXLOGBTIFKKTD-ZCFIWIBFSA-N 0 0 246.357 2.280 50 0 BEAARN CCCOc1ccc(C(=O)OC)c(F)c1 ZINC000074937860 169317258 /nfs/dbraw/zinc/31/72/58/169317258.db2.gz UENVVTLOYMGCGU-UHFFFAOYSA-N 0 0 212.220 2.401 50 0 BEAARN CCCOc1ccc(-c2nc(N)no2)cc1 ZINC000032622831 169316436 /nfs/dbraw/zinc/31/64/36/169316436.db2.gz XHBFOETYBSRVFA-UHFFFAOYSA-N 0 0 219.244 2.108 50 0 BEAARN CCCSc1nnc(NC(=O)C2CC2)s1 ZINC000004079411 169342049 /nfs/dbraw/zinc/34/20/49/169342049.db2.gz JLBSKONWHNXHAS-UHFFFAOYSA-N 0 0 243.357 2.389 50 0 BEAARN c1ccc2nc(N[C@H]3C[C@@H]4OCC[C@H]34)cnc2c1 ZINC000222610702 183458849 /nfs/dbraw/zinc/45/88/49/183458849.db2.gz CMCPNFVVNDTPPJ-ICCXJUOJSA-N 0 0 241.294 2.219 50 0 BEAARN CCCOc1ccccc1OCC(=O)OC ZINC000020297299 169327458 /nfs/dbraw/zinc/32/74/58/169327458.db2.gz XWVCOFCRXAQQRK-UHFFFAOYSA-N 0 0 224.256 2.027 50 0 BEAARN CCC[C@@H](C)NC(=O)c1c(C)onc1CC ZINC000013330509 169368516 /nfs/dbraw/zinc/36/85/16/169368516.db2.gz JOGCJKVCYIFTNZ-MRVPVSSYSA-N 0 0 224.304 2.464 50 0 BEAARN CCC[C@@H](C)C(=O)NCC1(C)CCOCC1 ZINC000169751728 169350414 /nfs/dbraw/zinc/35/04/14/169350414.db2.gz GZYLUXCQCIOSIK-LLVKDONJSA-N 0 0 227.348 2.356 50 0 BEAARN CCC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 ZINC000000562739 169370718 /nfs/dbraw/zinc/37/07/18/169370718.db2.gz HMKVNYXOXOEDSM-SECBINFHSA-N 0 0 245.319 2.293 50 0 BEAARN CCC[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000000288083 169371039 /nfs/dbraw/zinc/37/10/39/169371039.db2.gz JZRHVCORTRGUJJ-SNVBAGLBSA-N 0 0 227.329 2.154 50 0 BEAARN c1cncc(-c2noc(-c3cccnc3)n2)c1 ZINC000000318065 183489647 /nfs/dbraw/zinc/48/96/47/183489647.db2.gz HUMIHJABBRXLCB-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN c1csc(-c2noc(-c3cnccn3)n2)c1 ZINC000001421827 183514480 /nfs/dbraw/zinc/51/44/80/183514480.db2.gz KYMYDMXFSVSLGK-UHFFFAOYSA-N 0 0 230.252 2.255 50 0 BEAARN c1nc(CN2CCO[C@H]3CCCC[C@@H]32)cs1 ZINC000048231857 183529211 /nfs/dbraw/zinc/52/92/11/183529211.db2.gz HTWUORNOPDEYPO-RYUDHWBXSA-N 0 0 238.356 2.287 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC1=S ZINC000000385861 166647318 /nfs/dbraw/zinc/64/73/18/166647318.db2.gz LMVGORAVRFZPIO-UHFFFAOYSA-N 0 0 201.291 2.345 50 0 BEAARN CCC[C@H]1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000014736763 169539506 /nfs/dbraw/zinc/53/95/06/169539506.db2.gz ANQXUOWHXHTVMF-GFCCVEGCSA-N 0 0 246.310 2.216 50 0 BEAARN CCCn1c2ccccc2nc1[C@@H](C)O ZINC000000238961 169615243 /nfs/dbraw/zinc/61/52/43/169615243.db2.gz BQEPXLVACKZRHK-SECBINFHSA-N 0 0 204.273 2.500 50 0 BEAARN CCCn1c2ccccc2nc1[C@@H](C)NC=O ZINC000004810021 169615527 /nfs/dbraw/zinc/61/55/27/169615527.db2.gz NNVZFWVSAJOUIH-SNVBAGLBSA-N 0 0 231.299 2.253 50 0 BEAARN Cc1noc(C)c1C(=O)NCc1cccs1 ZINC000000112111 383827426 /nfs/dbraw/zinc/82/74/26/383827426.db2.gz KUEBNGLBQPKJQK-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000000099524 383827762 /nfs/dbraw/zinc/82/77/62/383827762.db2.gz CZMKNNJIGSSVMA-UHFFFAOYSA-N 0 0 247.338 2.457 50 0 BEAARN C[C@]12CCCC[C@]13NC(=O)CN3c1ccccc12 ZINC000000052228 383818919 /nfs/dbraw/zinc/81/89/19/383818919.db2.gz BNTKETXJVKCBBV-HUUCEWRRSA-N 0 0 242.322 2.164 50 0 BEAARN CC(=O)NCCc1ccc(Br)cc1 ZINC000035078693 383827933 /nfs/dbraw/zinc/82/79/33/383827933.db2.gz KPVUOSUNLUOQNR-UHFFFAOYSA-N 0 0 242.116 2.128 50 0 BEAARN On1c2ccc3nonc3c2c2c1CCCC2 ZINC000000035911 383819265 /nfs/dbraw/zinc/81/92/65/383819265.db2.gz RCEZSSSRORSGPX-UHFFFAOYSA-N 0 0 229.239 2.294 50 0 BEAARN O=C(Nc1nncs1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000068275 383822014 /nfs/dbraw/zinc/82/20/14/383822014.db2.gz WXAMAHSYLBWLBH-ZJUUUORDSA-N 0 0 245.307 2.280 50 0 BEAARN Cn1nc(C(F)(F)F)c2cc(C=O)sc21 ZINC000000168903 383839117 /nfs/dbraw/zinc/83/91/17/383839117.db2.gz OMJFTIUVMHLLMN-UHFFFAOYSA-N 0 0 234.202 2.466 50 0 BEAARN O=C1NCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000194079 383842765 /nfs/dbraw/zinc/84/27/65/383842765.db2.gz LEAGCIWJKRFYRT-UHFFFAOYSA-N 0 0 220.659 2.107 50 0 biogenic BEAARN CC1(C)CC(=O)N(C2CCCCC2)[C@@]1(C)O ZINC000000236552 383844027 /nfs/dbraw/zinc/84/40/27/383844027.db2.gz FOODFMPGWHYOEN-ZDUSSCGKSA-N 0 0 225.332 2.286 50 0 BEAARN Cc1cc(C)c2ccc(C)[n+]([O-])c2c1O ZINC000000235902 383844682 /nfs/dbraw/zinc/84/46/82/383844682.db2.gz GZACHBOFTJXUOV-UHFFFAOYSA-N 0 0 203.241 2.104 50 0 BEAARN O=C1c2ccc(F)cc2C(=O)N1c1ccncc1 ZINC000000246980 383846885 /nfs/dbraw/zinc/84/68/85/383846885.db2.gz UGUWWRUEAKGPHX-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN CCC[C@H](C)C(=O)Nc1nnc(COC)s1 ZINC000000249736 383848396 /nfs/dbraw/zinc/84/83/96/383848396.db2.gz NYRNRVKGRWIAJV-ZETCQYMHSA-N 0 0 243.332 2.059 50 0 BEAARN Cc1ccc([C@@H]2NC(=O)[C@H](C)S2)cc1 ZINC000000292858 383849519 /nfs/dbraw/zinc/84/95/19/383849519.db2.gz FBQSULSZOOGTHJ-GZMMTYOYSA-N 0 0 207.298 2.245 50 0 BEAARN Cc1ccc([C@@H]2NC(=O)[C@@H](C)S2)cc1 ZINC000000292853 383849753 /nfs/dbraw/zinc/84/97/53/383849753.db2.gz FBQSULSZOOGTHJ-LDYMZIIASA-N 0 0 207.298 2.245 50 0 BEAARN CC(C)(C)c1cnnn1-c1ccc(C=O)cc1 ZINC000000275819 383850589 /nfs/dbraw/zinc/85/05/89/383850589.db2.gz KAHHYVNIIHEJMI-UHFFFAOYSA-N 0 0 229.283 2.377 50 0 BEAARN CC(C)[C@H]1C[C@@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345788 383856067 /nfs/dbraw/zinc/85/60/67/383856067.db2.gz ISECDCWBPMVGJG-NWDGAFQWSA-N 0 0 247.294 2.213 50 0 BEAARN O=C(Nc1nccs1)c1cccnc1Cl ZINC000000338487 383856374 /nfs/dbraw/zinc/85/63/74/383856374.db2.gz RPAKXEZSINUUCW-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN CCN(CC)c1ccc(NC(=O)COC)cc1 ZINC000000363242 383860004 /nfs/dbraw/zinc/86/00/04/383860004.db2.gz KRAYTYGPPHISLH-UHFFFAOYSA-N 0 0 236.315 2.118 50 0 BEAARN CCN(CC)c1cc(NC(C)=O)ccc1OC ZINC000000404203 383864659 /nfs/dbraw/zinc/86/46/59/383864659.db2.gz BTJCIVXKBILNPY-UHFFFAOYSA-N 0 0 236.315 2.500 50 0 BEAARN CC[C@H](CO)NC(=O)c1cccc2ccccc21 ZINC000000409100 383865634 /nfs/dbraw/zinc/86/56/34/383865634.db2.gz UKWYJAUZEZLFJW-GFCCVEGCSA-N 0 0 243.306 2.341 50 0 BEAARN O=Cc1ccc(OC(=O)c2cccnc2)cc1 ZINC000000448456 383869031 /nfs/dbraw/zinc/86/90/31/383869031.db2.gz MEASBTFUQUJCEP-UHFFFAOYSA-N 0 0 227.219 2.113 50 0 BEAARN CCC[C@H](C)n1[nH]c(=O)c2c1[nH]c(=O)cc2C ZINC000000542520 383874137 /nfs/dbraw/zinc/87/41/37/383874137.db2.gz BISAQRPYEIKVKF-QMMMGPOBSA-N 0 0 235.287 2.100 50 0 BEAARN CCC[C@H](C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000000562990 383875733 /nfs/dbraw/zinc/87/57/33/383875733.db2.gz JWRKAQPOAMYJPL-GWCFXTLKSA-N 0 0 249.310 2.131 50 0 BEAARN COC(=O)c1cc(Br)ccc1F ZINC000035100412 383828643 /nfs/dbraw/zinc/82/86/43/383828643.db2.gz DXOPSTSVRPCTOS-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN CCCn1nccc1C(=O)N1CCCCCC1 ZINC000028222523 383829491 /nfs/dbraw/zinc/82/94/91/383829491.db2.gz PPYHVNJYXJLADO-UHFFFAOYSA-N 0 0 235.331 2.309 50 0 BEAARN CSC1=NN[C@H](c2ccccn2)S1 ZINC000000127338 383831144 /nfs/dbraw/zinc/83/11/44/383831144.db2.gz COBKEFOWTCEAKB-ZETCQYMHSA-N 0 0 211.315 2.051 50 0 BEAARN CC(=O)OCc1c(C)cc(C)c(C=O)c1C ZINC000000138036 383832656 /nfs/dbraw/zinc/83/26/56/383832656.db2.gz AVAXHSXXDPQPIR-UHFFFAOYSA-N 0 0 220.268 2.487 50 0 BEAARN O=C1N[C@@H](c2ccc(O)cc2)Nc2ccccc21 ZINC000000149852 383834003 /nfs/dbraw/zinc/83/40/03/383834003.db2.gz UYBVPYFAXHSIPV-ZDUSSCGKSA-N 0 0 240.262 2.246 50 0 biogenic BEAARN c1ccc2c(c1)nnn2[C@H]1CCCCO1 ZINC000001648760 383916563 /nfs/dbraw/zinc/91/65/63/383916563.db2.gz LEMXRUFANZFVFB-LLVKDONJSA-N 0 0 203.245 2.130 50 0 BEAARN Cc1n[nH]cc1CNc1ccccc1F ZINC000036901516 383916957 /nfs/dbraw/zinc/91/69/57/383916957.db2.gz PPJRDGIYQROBCH-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN Cc1cc(C)c(NC(=O)c2c[nH]nc2N)c(C)c1 ZINC000036939439 383921924 /nfs/dbraw/zinc/92/19/24/383921924.db2.gz GERFPLDLJLFSOI-UHFFFAOYSA-N 0 0 244.298 2.169 50 0 BEAARN Cc1cc[nH]c1C(=O)N[C@H](C)C(C)(F)F ZINC000334634354 383924612 /nfs/dbraw/zinc/92/46/12/383924612.db2.gz LUKVFRANNGPZTI-SSDOTTSWSA-N 0 0 216.231 2.097 50 0 BEAARN CCCc1cc(-c2cc[nH]n2)nc(C)n1 ZINC000067472744 383926810 /nfs/dbraw/zinc/92/68/10/383926810.db2.gz RXADXRQHFYFEBG-UHFFFAOYSA-N 0 0 202.261 2.128 50 0 BEAARN c1ccn(-c2ccc(-c3cc[nH]n3)cn2)c1 ZINC000067605385 383929880 /nfs/dbraw/zinc/92/98/80/383929880.db2.gz ADZZQGHXNHSKGN-UHFFFAOYSA-N 0 0 210.240 2.262 50 0 BEAARN O=C1O[C@@H]([C@H]2CCCCC2=O)C(Cl)=C1Cl ZINC000001028784 383886350 /nfs/dbraw/zinc/88/63/50/383886350.db2.gz BVTPNHNQOIOZQK-CDUCUWFYSA-N 0 0 249.093 2.360 50 0 BEAARN COc1ccc(CNC(=O)c2ccccn2)cc1 ZINC000000984064 383886708 /nfs/dbraw/zinc/88/67/08/383886708.db2.gz DXONIXQBQWIJMK-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN CC(=O)Nc1nnc(CC2CCCC2)s1 ZINC000001056175 383888359 /nfs/dbraw/zinc/88/83/59/383888359.db2.gz RZEZJFLWMAFGOG-UHFFFAOYSA-N 0 0 225.317 2.229 50 0 BEAARN COC(=O)c1ccc(-c2cnco2)cc1 ZINC000001390265 383895656 /nfs/dbraw/zinc/89/56/56/383895656.db2.gz LFNHUUMUCVZCGY-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN Cc1nnsc1[S@](=O)c1ccc(F)cc1 ZINC000001389368 383897055 /nfs/dbraw/zinc/89/70/55/383897055.db2.gz KJZUNWIICPIHED-HNNXBMFYSA-N 0 0 242.300 2.152 50 0 BEAARN Cc1ccc(C(=O)NCCn2cccc2)cc1 ZINC000001421251 383899508 /nfs/dbraw/zinc/89/95/08/383899508.db2.gz CJDYMCDMXRGZFL-UHFFFAOYSA-N 0 0 228.295 2.227 50 0 BEAARN O=C(C1CCC1)N1CCc2ccccc2C1 ZINC000050080560 383900735 /nfs/dbraw/zinc/90/07/35/383900735.db2.gz IUFWRJBGBUIQFT-UHFFFAOYSA-N 0 0 215.296 2.371 50 0 BEAARN O=Cc1cccn1-c1cccnc1Cl ZINC000001527316 383902801 /nfs/dbraw/zinc/90/28/01/383902801.db2.gz UCWQJFWGYWPPRF-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCO2)c1 ZINC000002773552 383986116 /nfs/dbraw/zinc/98/61/16/383986116.db2.gz HCHOTMBTHVUVME-LBPRGKRZSA-N 0 0 219.284 2.421 50 0 BEAARN CCc1cccc(C)c1NC(=O)COC ZINC000002747760 383986284 /nfs/dbraw/zinc/98/62/84/383986284.db2.gz GCHKOWANUZOTGM-UHFFFAOYSA-N 0 0 207.273 2.142 50 0 BEAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCO2)c1 ZINC000002773551 383986383 /nfs/dbraw/zinc/98/63/83/383986383.db2.gz HCHOTMBTHVUVME-GFCCVEGCSA-N 0 0 219.284 2.421 50 0 BEAARN COC[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000002800922 383987005 /nfs/dbraw/zinc/98/70/05/383987005.db2.gz TZOFBJFVVRELPS-MRVPVSSYSA-N 0 0 227.691 2.105 50 0 BEAARN CC(C)(C)c1cc(C(=O)N2CCCC2)no1 ZINC000089694716 383988071 /nfs/dbraw/zinc/98/80/71/383988071.db2.gz SXUHQJJFDJXOPA-UHFFFAOYSA-N 0 0 222.288 2.208 50 0 BEAARN O=C([O-])C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000089713632 383990328 /nfs/dbraw/zinc/99/03/28/383990328.db2.gz BHPYWUDZVIQFTG-AWEZNQCLSA-N 0 0 247.338 2.416 50 0 BEAARN C[C@H](NC(=O)N(C)C)[C@H]1Oc2ccccc2[C@H]1C ZINC000360234407 383990915 /nfs/dbraw/zinc/99/09/15/383990915.db2.gz MTEFKOZJSVLBNI-NRUUGDAUSA-N 0 0 248.326 2.211 50 0 BEAARN C[C@H](NC(=O)N(C)C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000360234408 383991127 /nfs/dbraw/zinc/99/11/27/383991127.db2.gz MTEFKOZJSVLBNI-OUJBWJOFSA-N 0 0 248.326 2.211 50 0 BEAARN O=C([O-])CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000003026287 383995525 /nfs/dbraw/zinc/99/55/25/383995525.db2.gz WWKRYTDDSNGEAB-UHFFFAOYSA-N 0 0 227.691 2.294 50 0 BEAARN Cc1csc(SCc2nnc(C)[nH]2)n1 ZINC000067688420 383936443 /nfs/dbraw/zinc/93/64/43/383936443.db2.gz JZPDUYWKDGYRNY-UHFFFAOYSA-N 0 0 226.330 2.170 50 0 BEAARN CCCCOC(=O)Nc1ccc(C(N)=O)cc1 ZINC000001770662 383936464 /nfs/dbraw/zinc/93/64/64/383936464.db2.gz YFGDCMIYMAMMMT-UHFFFAOYSA-N 0 0 236.271 2.134 50 0 BEAARN COC(=O)c1c(C)c(N)ccc1Br ZINC000089157204 383939606 /nfs/dbraw/zinc/93/96/06/383939606.db2.gz RQAHVOLDFUBDMB-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN CC(C)C(=O)Nc1cccnc1-c1cc[nH]n1 ZINC000067742325 383942315 /nfs/dbraw/zinc/94/23/15/383942315.db2.gz QHVZUWSDXKGBTP-UHFFFAOYSA-N 0 0 230.271 2.066 50 0 BEAARN COc1ccc(C(=O)c2cccnc2)cc1 ZINC000002014954 383943302 /nfs/dbraw/zinc/94/33/02/383943302.db2.gz JVCNCXKAEBIVBO-UHFFFAOYSA-N 0 0 213.236 2.321 50 0 BEAARN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1 ZINC000067869130 383953890 /nfs/dbraw/zinc/95/38/90/383953890.db2.gz IUMGVGNSYAGYFS-UHFFFAOYSA-N 0 0 247.346 2.062 50 0 BEAARN C[NH2+][C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000037181003 383955199 /nfs/dbraw/zinc/95/51/99/383955199.db2.gz GWDRVMZGPSUTQH-QMMMGPOBSA-N 0 0 234.082 2.339 50 0 biogenic BEAARN CCCCNC(=O)c1ccc(-c2cc[nH]n2)o1 ZINC000067896520 383955640 /nfs/dbraw/zinc/95/56/40/383955640.db2.gz CMZKVMJEWFQCCQ-UHFFFAOYSA-N 0 0 233.271 2.200 50 0 BEAARN Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)c(C)c1 ZINC000002390454 383962216 /nfs/dbraw/zinc/96/22/16/383962216.db2.gz WTDGOGLHWOAHSL-GHMZBOCLSA-N 0 0 237.324 2.092 50 0 BEAARN Cc1ncc(NC(=O)C(C)(C)C(F)F)cn1 ZINC000334839698 383965327 /nfs/dbraw/zinc/96/53/27/383965327.db2.gz RDMQKQHKXMKNGI-UHFFFAOYSA-N 0 0 229.230 2.015 50 0 BEAARN O=C([C@@H]1CCCCC1(F)F)N1CC2(CC2)C1 ZINC000334829969 383966097 /nfs/dbraw/zinc/96/60/97/383966097.db2.gz UCWHEQXOLDEHDE-VIFPVBQESA-N 0 0 229.270 2.434 50 0 BEAARN O=C(NC[C@H]1CC12CC2)c1sccc1F ZINC000334847696 383968699 /nfs/dbraw/zinc/96/86/99/383968699.db2.gz PCBPXCFWUZRBHI-SSDOTTSWSA-N 0 0 225.288 2.417 50 0 BEAARN CS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000002511100 383968984 /nfs/dbraw/zinc/96/89/84/383968984.db2.gz XBAXSNXJMHDHQY-UHFFFAOYSA-N 0 0 225.096 2.397 50 0 BEAARN C=CC(=O)OCC(Cl)(Cl)Cl ZINC000002525289 383970850 /nfs/dbraw/zinc/97/08/50/383970850.db2.gz JYNDMWZEMQAWTD-UHFFFAOYSA-N 0 0 203.452 2.086 50 0 BEAARN CC(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000002534160 383971808 /nfs/dbraw/zinc/97/18/08/383971808.db2.gz UTHAQSQWEBBVCJ-UHFFFAOYSA-N 0 0 216.284 2.155 50 0 BEAARN C=CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000408525885 383973060 /nfs/dbraw/zinc/97/30/60/383973060.db2.gz DFQDQRLZIBXXOA-UHFFFAOYSA-N 0 0 230.311 2.049 50 0 BEAARN COc1ccc(C)nc1NC(=O)NC1CCCC1 ZINC000127810616 383973406 /nfs/dbraw/zinc/97/34/06/383973406.db2.gz QBRJMRZUZMYPIP-UHFFFAOYSA-N 0 0 249.314 2.463 50 0 BEAARN COC(=O)c1ccc(F)c(Br)c1 ZINC000002540362 383973538 /nfs/dbraw/zinc/97/35/38/383973538.db2.gz JVORYGNKYAXATM-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN O=C(c1ccccc1F)N1CCOC[C@@H]1C1CC1 ZINC000089971466 384016414 /nfs/dbraw/zinc/01/64/14/384016414.db2.gz IQNVWZOUOJEFAQ-CYBMUJFWSA-N 0 0 249.285 2.077 50 0 BEAARN Cc1cc(C)cc(-c2nnc(N)s2)c1 ZINC000003716253 384026948 /nfs/dbraw/zinc/02/69/48/384026948.db2.gz NMUYFXIGDRWUJS-UHFFFAOYSA-N 0 0 205.286 2.404 50 0 BEAARN CC(C)n1nccc1C(=O)N1CCCCC1 ZINC000089893836 384005544 /nfs/dbraw/zinc/00/55/44/384005544.db2.gz HFLPHJYWHMAEHD-UHFFFAOYSA-N 0 0 221.304 2.090 50 0 BEAARN Cc1c[nH]cc1C(=O)NCC1CC(F)(F)C1 ZINC000336497993 384012933 /nfs/dbraw/zinc/01/29/33/384012933.db2.gz KFXRVFWTUJJJMT-UHFFFAOYSA-N 0 0 228.242 2.098 50 0 BEAARN CC(=O)c1sc(NC[C@@H]2CCCO2)nc1C ZINC000003503987 384013732 /nfs/dbraw/zinc/01/37/32/384013732.db2.gz KIOUUCKLQRRTHR-VIFPVBQESA-N 0 0 240.328 2.245 50 0 BEAARN Cc1nc(C)c(-c2csc(N)n2)s1 ZINC000004139473 384042808 /nfs/dbraw/zinc/04/28/08/384042808.db2.gz MQRVWXNHZWZVMR-UHFFFAOYSA-N 0 0 211.315 2.466 50 0 BEAARN Cc1noc(C)c1Cc1c(C)noc1C ZINC000004006339 384034596 /nfs/dbraw/zinc/03/45/96/384034596.db2.gz AYBJTGVTOXTFFP-UHFFFAOYSA-N 0 0 206.245 2.487 50 0 BEAARN CCN(CCO)c1ccc(N)cc1C(F)(F)F ZINC000037897208 384036426 /nfs/dbraw/zinc/03/64/26/384036426.db2.gz DNAPYLZPJIROQZ-UHFFFAOYSA-N 0 0 248.248 2.106 50 0 BEAARN C[S@](=O)c1ccc(Br)cc1 ZINC000004829169 384083912 /nfs/dbraw/zinc/08/39/12/384083912.db2.gz MPOPDYTWAYBUOD-SNVBAGLBSA-N 0 0 219.103 2.187 50 0 BEAARN Brc1nccn1[C@@H]1CCCCO1 ZINC000038538293 384085060 /nfs/dbraw/zinc/08/50/60/384085060.db2.gz YYBSLCMICUQPIA-ZETCQYMHSA-N 0 0 231.093 2.345 50 0 BEAARN Cc1nc(C=C2C(=O)Nc3ccccc32)c[nH]1 ZINC000004302695 384054414 /nfs/dbraw/zinc/05/44/14/384054414.db2.gz XVZIHQVGGWLINC-WDZFZDKYSA-N 0 0 225.251 2.211 50 0 BEAARN Cc1cnc(CN2CCC[C@H]2c2noc(C)n2)o1 ZINC000076047185 384056326 /nfs/dbraw/zinc/05/63/26/384056326.db2.gz JCBRFCDHERQZIA-JTQLQIEISA-N 0 0 248.286 2.012 50 0 BEAARN O=C1c2ccccc2[C@@H](O)N1c1ccccc1 ZINC000004672976 384060396 /nfs/dbraw/zinc/06/03/96/384060396.db2.gz ZLODOCHSFJATAJ-CYBMUJFWSA-N 0 0 225.247 2.338 50 0 BEAARN CC(C)CCNC(=O)COc1ccccc1 ZINC000004659212 384072596 /nfs/dbraw/zinc/07/25/96/384072596.db2.gz YLIRKGQJTIQTBG-UHFFFAOYSA-N 0 0 221.300 2.228 50 0 BEAARN CC(=O)N1N=C(C)C[C@@H]1c1ccccc1 ZINC000004599813 384073117 /nfs/dbraw/zinc/07/31/17/384073117.db2.gz DFKZGQLECGUOJV-GFCCVEGCSA-N 0 0 202.257 2.356 50 0 BEAARN CC(=O)O[C@@H]1c2ccccc2CC[C@@H]1OC(C)=O ZINC000004667597 384075506 /nfs/dbraw/zinc/07/55/06/384075506.db2.gz PWDTYDXUIYVSGG-UONOGXRCSA-N 0 0 248.278 2.169 50 0 BEAARN Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000005204106 384107117 /nfs/dbraw/zinc/10/71/17/384107117.db2.gz FFEOTVRMYUDXOF-UHFFFAOYSA-N 0 0 229.161 2.338 50 0 BEAARN Cc1cc(N)cc(C)c1I ZINC000005302023 384110236 /nfs/dbraw/zinc/11/02/36/384110236.db2.gz GVLJJTPNZDAXIJ-UHFFFAOYSA-N 0 0 247.079 2.490 50 0 BEAARN COc1cc(CO)ccc1C(F)(F)F ZINC000091252074 384111438 /nfs/dbraw/zinc/11/14/38/384111438.db2.gz KGRHSPHJFOSYLA-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN CC1(C)COC2(C[C@@H]3CC(=O)C[C@H]3C2)OC1 ZINC000039434335 384114004 /nfs/dbraw/zinc/11/40/04/384114004.db2.gz DPGJBUWFVDJWGF-UWVGGRQHSA-N 0 0 224.300 2.145 50 0 BEAARN OC[C@H]1CC(c2ccccc2)=C[C@@H](CO)C1 ZINC000000366033 259645779 /nfs/dbraw/zinc/64/57/79/259645779.db2.gz TUBSTPQBMRWIND-NWDGAFQWSA-N 0 0 218.296 2.081 50 0 BEAARN CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000039947607 384123535 /nfs/dbraw/zinc/12/35/35/384123535.db2.gz IIDISJMZFQAYKG-JTQLQIEISA-N 0 0 227.304 2.223 50 0 BEAARN CC(C)C[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005759837 384129524 /nfs/dbraw/zinc/12/95/24/384129524.db2.gz FMVWVPAXPVSWER-LLVKDONJSA-N 0 0 248.351 2.322 50 0 BEAARN CC[C@@H](C)Cc1nc(-c2ccc(C)nn2)no1 ZINC000091493093 384131138 /nfs/dbraw/zinc/13/11/38/384131138.db2.gz DQDXPVPDXCMYHG-MRVPVSSYSA-N 0 0 232.287 2.424 50 0 BEAARN CN1C(=O)S/C(=C\NC2CCCCC2)C1=O ZINC000100264455 384147321 /nfs/dbraw/zinc/14/73/21/384147321.db2.gz RTFUPRUEYJPEMS-CLFYSBASSA-N 0 0 240.328 2.075 50 0 BEAARN O=C(/C=C/c1ccco1)Nc1ccncc1 ZINC000000368367 384147387 /nfs/dbraw/zinc/14/73/87/384147387.db2.gz MDLIXKWGDZIHFI-ONEGZZNKSA-N 0 0 214.224 2.327 50 0 BEAARN CC(=O)c1sc(NC(=O)C2CCC2)nc1C ZINC000000371676 384148062 /nfs/dbraw/zinc/14/80/62/384148062.db2.gz NXYKJJLYFPTGBE-UHFFFAOYSA-N 0 0 238.312 2.393 50 0 BEAARN CC(C)Cc1cc(C(=O)N2CCC[C@H]2C)n(C)n1 ZINC000091859384 384150229 /nfs/dbraw/zinc/15/02/29/384150229.db2.gz HHDZUXWYYLWULK-LLVKDONJSA-N 0 0 249.358 2.243 50 0 BEAARN CCCn1cnc2ccc(C(=O)OC)cc21 ZINC000040456639 384154336 /nfs/dbraw/zinc/15/43/36/384154336.db2.gz GDXJOKAIOKZAQU-UHFFFAOYSA-N 0 0 218.256 2.233 50 0 BEAARN CC(C)(C)n1cc(Br)cn1 ZINC000040456634 384154452 /nfs/dbraw/zinc/15/44/52/384154452.db2.gz KLLXOOSSATXFFY-UHFFFAOYSA-N 0 0 203.083 2.401 50 0 BEAARN Cc1cnc(CNc2nnc(C(C)(C)C)o2)cn1 ZINC000091943084 384154466 /nfs/dbraw/zinc/15/44/66/384154466.db2.gz QFIJFOAOUCMVPL-UHFFFAOYSA-N 0 0 247.302 2.078 50 0 BEAARN Nc1ccc(Cl)c(Br)n1 ZINC000071256177 384156994 /nfs/dbraw/zinc/15/69/94/384156994.db2.gz YRNODZRPIGNGMY-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CC[C@H](C)c1ccc(OCC(N)=O)cc1 ZINC000040456770 384139161 /nfs/dbraw/zinc/13/91/61/384139161.db2.gz RBMRJIKWOBGISU-VIFPVBQESA-N 0 0 207.273 2.064 50 0 BEAARN O=C(c1ccc(Cl)cn1)N1CCCCC1 ZINC000080111008 384157567 /nfs/dbraw/zinc/15/75/67/384157567.db2.gz SQGOSNHYUSQVSL-UHFFFAOYSA-N 0 0 224.691 2.361 50 0 BEAARN COCCn1c(=S)[nH]nc1-c1ccccc1 ZINC000006581781 384157806 /nfs/dbraw/zinc/15/78/06/384157806.db2.gz IIMBLUPFOJILLG-UHFFFAOYSA-N 0 0 235.312 2.254 50 0 BEAARN CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000002648231 384174311 /nfs/dbraw/zinc/17/43/11/384174311.db2.gz USZIBNHTAPJBLP-UFBFGSQYSA-N 0 0 217.268 2.484 50 0 BEAARN Cc1cc(C2CCC2)nc(NCC(C)(C)CO)n1 ZINC000071748309 384176722 /nfs/dbraw/zinc/17/67/22/384176722.db2.gz LRQWKQOZRMMPNL-UHFFFAOYSA-N 0 0 249.358 2.483 50 0 BEAARN COC1(CNC(=O)Nc2ccc(C)cn2)CCC1 ZINC000097372810 384176034 /nfs/dbraw/zinc/17/60/34/384176034.db2.gz QLSZXGWKSSIAOG-UHFFFAOYSA-N 0 0 249.314 2.081 50 0 BEAARN S=C1N=NC(NCCc2ccccc2)S1 ZINC000006649929 384161303 /nfs/dbraw/zinc/16/13/03/384161303.db2.gz CCTQEHDMZKCPPK-UHFFFAOYSA-N 0 0 237.353 2.481 50 0 BEAARN CCCc1cnc(NCc2cc[nH]n2)s1 ZINC000097375456 384180038 /nfs/dbraw/zinc/18/00/38/384180038.db2.gz HCGUTYFRXIYUGC-UHFFFAOYSA-N 0 0 222.317 2.431 50 0 BEAARN COC(=O)c1cccc2c(Cl)ncnc12 ZINC000071791018 384180094 /nfs/dbraw/zinc/18/00/94/384180094.db2.gz CAZALFALOKHBET-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN FC(F)(F)c1ccccc1CNC1COC1 ZINC000071792163 384180385 /nfs/dbraw/zinc/18/03/85/384180385.db2.gz DKWOYLYIZXJBEM-UHFFFAOYSA-N 0 0 231.217 2.194 50 0 BEAARN c1ccc(CN2CCc3ncncc3C2)cc1 ZINC000071864251 384183877 /nfs/dbraw/zinc/18/38/77/384183877.db2.gz WIBCTLGIHZHLRI-UHFFFAOYSA-N 0 0 225.295 2.035 50 0 BEAARN Cc1cnc(C(=O)N(C)C2CCCCC2)cn1 ZINC000042137037 384203639 /nfs/dbraw/zinc/20/36/39/384203639.db2.gz JAWVKTLSUGSZDW-UHFFFAOYSA-N 0 0 233.315 2.190 50 0 BEAARN FC(F)(F)Cn1ccnc1CNc1ccon1 ZINC000097379563 384186685 /nfs/dbraw/zinc/18/66/85/384186685.db2.gz FOTXVAXLUXSQDJ-UHFFFAOYSA-N 0 0 246.192 2.046 50 0 BEAARN CC(C)Cn1ccc(Br)n1 ZINC000072339559 384207469 /nfs/dbraw/zinc/20/74/69/384207469.db2.gz QCKZMRSJDCPZIC-UHFFFAOYSA-N 0 0 203.083 2.302 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Oc1cccc(-n2ccnc2)c1 ZINC000071915237 384188702 /nfs/dbraw/zinc/18/87/02/384188702.db2.gz DXBMGLIRXIOWLC-ZWNOBZJWSA-N 0 0 242.278 2.434 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Oc1cccc(-n2ccnc2)c1 ZINC000071915235 384189086 /nfs/dbraw/zinc/18/90/86/384189086.db2.gz DXBMGLIRXIOWLC-MFKMUULPSA-N 0 0 242.278 2.434 50 0 BEAARN CONC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000071915875 384190692 /nfs/dbraw/zinc/19/06/92/384190692.db2.gz RWRLPWVOSOCGRT-CHWSQXEVSA-N 0 0 248.326 2.258 50 0 BEAARN O=C1c2ccccc2-c2nc3cccnc3nc21 ZINC000004710802 384191410 /nfs/dbraw/zinc/19/14/10/384191410.db2.gz ZFOFLJOFJPTAMR-UHFFFAOYSA-N 0 0 233.230 2.236 50 0 BEAARN CCN(CC)c1nc(Cl)nc(Cl)n1 ZINC000000088010 384194781 /nfs/dbraw/zinc/19/47/81/384194781.db2.gz HYWCPNMPNFJCMD-UHFFFAOYSA-N 0 0 221.091 2.025 50 0 BEAARN CC(=O)N[C@]1([C@H]2C=CCCC2)C=COCC1 ZINC000072194100 384198107 /nfs/dbraw/zinc/19/81/07/384198107.db2.gz CVVYCUUQSLWFTJ-QWHCGFSZSA-N 0 0 221.300 2.152 50 0 BEAARN CON(C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000097402927 384200982 /nfs/dbraw/zinc/20/09/82/384200982.db2.gz ITNPKUYNWKBAAX-JGVFFNPUSA-N 0 0 239.237 2.375 50 0 BEAARN Cn1cccc1CN1CC2(CCC2(F)F)C1 ZINC000336501331 384233198 /nfs/dbraw/zinc/23/31/98/384233198.db2.gz QSJHULLJZUJHJZ-UHFFFAOYSA-N 0 0 226.270 2.256 50 0 BEAARN CC(=O)c1cn2c(nc3ccccc32)nc1C ZINC000009190060 384235848 /nfs/dbraw/zinc/23/58/48/384235848.db2.gz NPFMRBLKDKFJFU-UHFFFAOYSA-N 0 0 225.251 2.394 50 0 BEAARN COC(=O)c1cccc(-n2cccc2C=O)c1 ZINC000008701945 384209244 /nfs/dbraw/zinc/20/92/44/384209244.db2.gz ZEDIMIWDNJGXIL-UHFFFAOYSA-N 0 0 229.235 2.076 50 0 BEAARN O=Cc1cc(Br)cnc1Cl ZINC000008729957 384211813 /nfs/dbraw/zinc/21/18/13/384211813.db2.gz YGPYNLZCNDPHTQ-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN C[C@@H](N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000008729149 384212502 /nfs/dbraw/zinc/21/25/02/384212502.db2.gz HNDBFFBSXOAWPV-ZCFIWIBFSA-N 0 0 223.663 2.410 50 0 BEAARN Cc1nnc(SCc2cccs2)[n-]c1=O ZINC000008763105 384215752 /nfs/dbraw/zinc/21/57/52/384215752.db2.gz HPLBKFQEYKJGDN-UHFFFAOYSA-N 0 0 239.325 2.239 50 0 BEAARN COC(=O)c1cc(Br)ccc1OC ZINC000008732369 384216207 /nfs/dbraw/zinc/21/62/07/384216207.db2.gz XVXCLDNUWBUICD-UHFFFAOYSA-N 0 0 245.072 2.244 50 0 BEAARN CC(C)(C)OC(=O)N1C(=O)[C@H]2CCC=C[C@H]21 ZINC000072481884 384222575 /nfs/dbraw/zinc/22/25/75/384222575.db2.gz DIRYFKYIEKHZOA-DTWKUNHWSA-N 0 0 223.272 2.099 50 0 BEAARN Cn1cc(Br)c2c1ncnc2Cl ZINC000072482051 384222632 /nfs/dbraw/zinc/22/26/32/384222632.db2.gz QGPYXNYRUAFOHC-UHFFFAOYSA-N 0 0 246.495 2.384 50 0 in-vitro BEAARN CCOCCSc1ncc2ccccn21 ZINC000097602111 384240765 /nfs/dbraw/zinc/24/07/65/384240765.db2.gz BVQFXJZXBSMQLF-UHFFFAOYSA-N 0 0 222.313 2.463 50 0 BEAARN c1cn(Cc2nc(C3CC3)no2)nc1C1CC1 ZINC000095438636 384243211 /nfs/dbraw/zinc/24/32/11/384243211.db2.gz DJFGYZZCCVUBNN-UHFFFAOYSA-N 0 0 230.271 2.069 50 0 BEAARN Cn1nc(N)c2ccc(C(F)(F)F)cc21 ZINC000042784454 384244374 /nfs/dbraw/zinc/24/43/74/384244374.db2.gz JZDIWZOIJCGXHI-UHFFFAOYSA-N 0 0 215.178 2.174 50 0 BEAARN Cc1cc(C(=O)N(C)Cc2ccsc2)no1 ZINC000061084080 384253331 /nfs/dbraw/zinc/25/33/31/384253331.db2.gz MRJOVWUBABDEGB-UHFFFAOYSA-N 0 0 236.296 2.317 50 0 BEAARN Cc1ccc([C@H](C)[N@H+](C)CC(=O)[O-])c(C)c1 ZINC000082717647 384258459 /nfs/dbraw/zinc/25/84/59/384258459.db2.gz MUBKTXOKTGCCKA-NSHDSACASA-N 0 0 221.300 2.381 50 0 BEAARN O=S(=O)(Cc1ccccc1)NC1CCCC1 ZINC000000029842 384259810 /nfs/dbraw/zinc/25/98/10/384259810.db2.gz GWNMQULPQRVVRI-UHFFFAOYSA-N 0 0 239.340 2.049 50 0 BEAARN Cc1nsc(N(C)[C@H](CO)CC(C)(C)C)n1 ZINC000408519762 384277949 /nfs/dbraw/zinc/27/79/49/384277949.db2.gz ZOSBVWWQCOUMPC-VIFPVBQESA-N 0 0 243.376 2.080 50 0 BEAARN c1ccc2c3nnc(-c4cccnc4)n3ncc2c1 ZINC000000005945 384263832 /nfs/dbraw/zinc/26/38/32/384263832.db2.gz GINLWLVGYWBOOP-UHFFFAOYSA-N 0 0 247.261 2.340 50 0 BEAARN CNc1ccccc1C(=O)NC(C)(C)C ZINC000000145179 384266600 /nfs/dbraw/zinc/26/66/00/384266600.db2.gz CMFDYBOVKDMTDV-UHFFFAOYSA-N 0 0 206.289 2.257 50 0 BEAARN C=Cn1cc(CNc2ccnn2CC(C)C)cn1 ZINC000408514783 384269460 /nfs/dbraw/zinc/26/94/60/384269460.db2.gz MMSZWAPNFIPRML-UHFFFAOYSA-N 0 0 245.330 2.448 50 0 BEAARN CC(C)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000000030394 384272288 /nfs/dbraw/zinc/27/22/88/384272288.db2.gz DOXFVAVQKQIGKN-UHFFFAOYSA-N 0 0 245.319 2.150 50 0 BEAARN CC(C)CN1C(=S)N=NC1c1cccnc1 ZINC000009304602 384242109 /nfs/dbraw/zinc/24/21/09/384242109.db2.gz BEAXAUSOJOBNBN-UHFFFAOYSA-N 0 0 234.328 2.285 50 0 BEAARN CC(C)(C)[C@@H](CCO)NC(=O)c1ccsc1 ZINC000097046217 384304026 /nfs/dbraw/zinc/30/40/26/384304026.db2.gz XRNLNGZCFRFRHV-SNVBAGLBSA-N 0 0 241.356 2.275 50 0 BEAARN COC(=O)c1ccc(N2CCCC2)cc1 ZINC000012336566 384309670 /nfs/dbraw/zinc/30/96/70/384309670.db2.gz XNIVNLQKURGIAY-UHFFFAOYSA-N 0 0 205.257 2.073 50 0 BEAARN OC/C=C/c1ccc(Br)cc1 ZINC000012336391 384311577 /nfs/dbraw/zinc/31/15/77/384311577.db2.gz DLEIRQMIYDUVBY-OWOJBTEDSA-N 0 0 213.074 2.455 50 0 BEAARN CC(=O)c1c(F)cccc1-n1ccnc1 ZINC000012505634 384322476 /nfs/dbraw/zinc/32/24/76/384322476.db2.gz IGZFTEFTDFAABQ-UHFFFAOYSA-N 0 0 204.204 2.214 50 0 BEAARN O=Cc1sc(Br)c2c1OCCO2 ZINC000012370579 384313087 /nfs/dbraw/zinc/31/30/87/384313087.db2.gz YEKBJVHBVICUOZ-UHFFFAOYSA-N 0 0 249.085 2.094 50 0 BEAARN C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CCCO1 ZINC000012383257 384316287 /nfs/dbraw/zinc/31/62/87/384316287.db2.gz PLKYZQJNQTUESR-ZJUUUORDSA-N 0 0 213.321 2.106 50 0 BEAARN Cc1nnc([C@@H](C)N(C)CCc2ccncc2)o1 ZINC000097051168 384316768 /nfs/dbraw/zinc/31/67/68/384316768.db2.gz CPOQCINVXIYTJH-SNVBAGLBSA-N 0 0 246.314 2.009 50 0 BEAARN COC(=O)c1ccc(Cl)c(NC(C)=O)c1 ZINC000000337303 384320581 /nfs/dbraw/zinc/32/05/81/384320581.db2.gz HBUXTEJUSPXOQJ-UHFFFAOYSA-N 0 0 227.647 2.085 50 0 BEAARN CC(C)(O)c1ncccc1Br ZINC000097758928 384281684 /nfs/dbraw/zinc/28/16/84/384281684.db2.gz HZHDZKFWDCOLAH-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 BEAARN CNc1ccc(N)cc1Br ZINC000043596557 384287039 /nfs/dbraw/zinc/28/70/39/384287039.db2.gz JAOXYXBFSONQAX-UHFFFAOYSA-N 0 0 201.067 2.073 50 0 BEAARN O=C(N[C@H]1CC12CC2)C1CCC(F)(F)CC1 ZINC000335511993 384297479 /nfs/dbraw/zinc/29/74/79/384297479.db2.gz FNGROTWAGGELOZ-VIFPVBQESA-N 0 0 229.270 2.481 50 0 BEAARN COC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000133624685 384302267 /nfs/dbraw/zinc/30/22/67/384302267.db2.gz PTPWFFZQLBEBNY-OLZOCXBDSA-N 0 0 233.311 2.085 50 0 BEAARN COCCn1ccc2cc(NC(C)=O)ccc21 ZINC000060319276 384303843 /nfs/dbraw/zinc/30/38/43/384303843.db2.gz YSSCBKJSKTXWTP-UHFFFAOYSA-N 0 0 232.283 2.246 50 0 BEAARN Cn1nc(N)c2cccc(C(F)(F)F)c21 ZINC000075759709 384335807 /nfs/dbraw/zinc/33/58/07/384335807.db2.gz NGPOCFQDJORDIL-UHFFFAOYSA-N 0 0 215.178 2.174 50 0 BEAARN O=Cc1ccc(-c2cccc(CO)n2)cc1 ZINC000012956474 384343305 /nfs/dbraw/zinc/34/33/05/384343305.db2.gz RZHVETZHBRUIJF-UHFFFAOYSA-N 0 0 213.236 2.053 50 0 BEAARN CCCCNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000012973065 384344172 /nfs/dbraw/zinc/34/41/72/384344172.db2.gz XRPMXVHXMAOVEW-UHFFFAOYSA-N 0 0 244.294 2.058 50 0 BEAARN NC(=O)c1ccccc1-n1cnc2ccccc21 ZINC000013782600 384373694 /nfs/dbraw/zinc/37/36/94/384373694.db2.gz SPSMKSLIWNNIJD-UHFFFAOYSA-N 0 0 237.262 2.124 50 0 BEAARN CC(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000095394133 384374034 /nfs/dbraw/zinc/37/40/34/384374034.db2.gz ZOTMDMYEQFVJQU-NSHDSACASA-N 0 0 205.301 2.371 50 0 BEAARN CN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000013323048 384352737 /nfs/dbraw/zinc/35/27/37/384352737.db2.gz YZEFBEQWEDQOJV-UHFFFAOYSA-N 0 0 247.125 2.494 50 0 BEAARN O=Cc1ccc(O[C@H]2CCCCO2)cc1 ZINC000013483575 384363044 /nfs/dbraw/zinc/36/30/44/384363044.db2.gz QYKABQMBXCBINA-LBPRGKRZSA-N 0 0 206.241 2.405 50 0 BEAARN COC(=O)Cc1ccc(F)cc1Br ZINC000095147682 384366905 /nfs/dbraw/zinc/36/69/05/384366905.db2.gz VLQWWEBJMRNYDR-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN COC(=O)c1ccc(-n2cccc2C=O)cc1 ZINC000013633447 384367704 /nfs/dbraw/zinc/36/77/04/384367704.db2.gz FWTQPUKJGKHTBS-UHFFFAOYSA-N 0 0 229.235 2.076 50 0 BEAARN COCc1nc(C2CC2)nn1-c1cccc(F)c1 ZINC000095378391 384370734 /nfs/dbraw/zinc/37/07/34/384370734.db2.gz SGUDVBQXHBTCEN-UHFFFAOYSA-N 0 0 247.273 2.430 50 0 BEAARN CC1(C(=O)Nc2ncccc2F)CCC1 ZINC000097110786 384372289 /nfs/dbraw/zinc/37/22/89/384372289.db2.gz VYFOJKPUYRIVOZ-UHFFFAOYSA-N 0 0 208.236 2.349 50 0 BEAARN CC[C@H](COC)NC(=O)Nc1ccccc1 ZINC000000409073 384326273 /nfs/dbraw/zinc/32/62/73/384326273.db2.gz CSXZBPXGGMSHEP-SNVBAGLBSA-N 0 0 222.288 2.233 50 0 BEAARN COc1cc(-c2ccc(N)nc2)ccc1F ZINC000077031878 384392581 /nfs/dbraw/zinc/39/25/81/384392581.db2.gz LBMANGMZSHEEFD-UHFFFAOYSA-N 0 0 218.231 2.479 50 0 BEAARN CC(C)(C)OC(=O)Nc1nccc2[nH]ccc21 ZINC000095743172 384392999 /nfs/dbraw/zinc/39/29/99/384392999.db2.gz UNJMJJVVZDLJHL-UHFFFAOYSA-N 0 0 233.271 2.332 50 0 BEAARN Fc1c2nc[nH]c2ccc1Br ZINC000095828967 384400488 /nfs/dbraw/zinc/40/04/88/384400488.db2.gz LZMUWVAOXHJEHC-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN COC(=O)c1c(O)cc(Br)cc1F ZINC000095830104 384400558 /nfs/dbraw/zinc/40/05/58/384400558.db2.gz QXWLOFCMJIYTHD-UHFFFAOYSA-N 0 0 249.035 2.080 50 0 BEAARN C[C@@H](O)CNc1ccc2ccc(F)cc2n1 ZINC000084640144 384405760 /nfs/dbraw/zinc/40/57/60/384405760.db2.gz JPLZCVIDQJNNEU-MRVPVSSYSA-N 0 0 220.247 2.167 50 0 BEAARN CCCCN1C(O)N=N[C@@H]1c1ccccc1 ZINC000095917950 384406957 /nfs/dbraw/zinc/40/69/57/384406957.db2.gz VUTFABWFXOHKGE-NSHDSACASA-N 0 0 219.288 2.015 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000095919632 384407264 /nfs/dbraw/zinc/40/72/64/384407264.db2.gz XBDRUHSCAZBDLY-VXGBXAGGSA-N 0 0 237.274 2.169 50 0 BEAARN CC(=O)Nc1cc(C(C)=O)c(C)cc1C ZINC000096034761 384426816 /nfs/dbraw/zinc/42/68/16/384426816.db2.gz VLDYOLFYCFOBEC-UHFFFAOYSA-N 0 0 205.257 2.464 50 0 BEAARN CN(CC(F)(F)F)C1CCC(CO)CC1 ZINC000095975869 384418293 /nfs/dbraw/zinc/41/82/93/384418293.db2.gz LSDSGLONMDGKSS-UHFFFAOYSA-N 0 0 225.254 2.032 50 0 BEAARN CCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000096032136 384421154 /nfs/dbraw/zinc/42/11/54/384421154.db2.gz VXVNESJOGPNEMU-GHMZBOCLSA-N 0 0 243.347 2.262 50 0 BEAARN Cc1c2c(ccc1Br)C(=O)OC2 ZINC000096028593 384421874 /nfs/dbraw/zinc/42/18/74/384421874.db2.gz IRAKZLQFUGTIGE-UHFFFAOYSA-N 0 0 227.057 2.428 50 0 BEAARN CC(C)CCN1C(=O)c2ccccc2[C@H]1O ZINC000013898320 384377736 /nfs/dbraw/zinc/37/77/36/384377736.db2.gz SFVPAAYZTUCGDI-GFCCVEGCSA-N 0 0 219.284 2.179 50 0 BEAARN O=C([C@H]1CC=CCC1)N1CCC[C@H]1CF ZINC000294153727 384379362 /nfs/dbraw/zinc/37/93/62/384379362.db2.gz RRQCLMVUYWZSAP-QWRGUYRKSA-N 0 0 211.280 2.303 50 0 BEAARN O=c1c(Cl)c(Cl)nc2ccccn21 ZINC000095496000 384380601 /nfs/dbraw/zinc/38/06/01/384380601.db2.gz ZUYGRPKKRPCWJS-UHFFFAOYSA-N 0 0 215.039 2.001 50 0 BEAARN COC(=O)c1cccc(Br)c1F ZINC000016159054 384453963 /nfs/dbraw/zinc/45/39/63/384453963.db2.gz ZWOFHFOFKBYRHV-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000016602768 384461740 /nfs/dbraw/zinc/46/17/40/384461740.db2.gz DGXXLKKPFNQIOS-DGCLKSJQSA-N 0 0 233.311 2.292 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000016602766 384462689 /nfs/dbraw/zinc/46/26/89/384462689.db2.gz DGXXLKKPFNQIOS-AAEUAGOBSA-N 0 0 233.311 2.292 50 0 BEAARN Cc1ccc(Br)c2nccn21 ZINC000016677896 384464531 /nfs/dbraw/zinc/46/45/31/384464531.db2.gz AWYVWBPDMGSBFG-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CCCCNC(=O)c1cc(F)cc(F)c1 ZINC000016651526 384464702 /nfs/dbraw/zinc/46/47/02/384464702.db2.gz WDTSWIMCJYHEMB-UHFFFAOYSA-N 0 0 213.227 2.495 50 0 BEAARN C[C@H](C1CC1)N(Cc1csnn1)C1CC1 ZINC000122206825 384465256 /nfs/dbraw/zinc/46/52/56/384465256.db2.gz WPKMUMAHYZRRHG-MRVPVSSYSA-N 0 0 223.345 2.301 50 0 BEAARN COCCn1cc(C=O)c2cc(OC)ccc21 ZINC000079124098 384484540 /nfs/dbraw/zinc/48/45/40/384484540.db2.gz RANKINGQXIOYAN-UHFFFAOYSA-N 0 0 233.267 2.109 50 0 biogenic BEAARN c1cnc(SCc2ccncc2)nc1 ZINC000016546075 384459381 /nfs/dbraw/zinc/45/93/81/384459381.db2.gz WFFIXZNLHHUGAV-UHFFFAOYSA-N 0 0 203.270 2.164 50 0 BEAARN CC(C)(C)c1ccc(C2N=NC(=S)N2N)cc1 ZINC000017957782 384496294 /nfs/dbraw/zinc/49/62/94/384496294.db2.gz SWQCDNFKIGLZDF-UHFFFAOYSA-N 0 0 248.355 2.245 50 0 BEAARN COCOc1ccccc1C(=O)c1ccccn1 ZINC000019087630 384509414 /nfs/dbraw/zinc/50/94/14/384509414.db2.gz UDZKEYOBGOSBRV-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN COc1ncnc2ccc(Br)cc21 ZINC000019090123 384510872 /nfs/dbraw/zinc/51/08/72/384510872.db2.gz SCWYBXFJOPLSQA-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN Cc1ccc(C)c(NC(=O)c2cccc[n+]2[O-])c1 ZINC000032932486 384487222 /nfs/dbraw/zinc/48/72/22/384487222.db2.gz MVSRRADNKOGYIM-UHFFFAOYSA-N 0 0 242.278 2.189 50 0 BEAARN CN(Cc1ccccc1)c1ccc(N)cn1 ZINC000019401680 384518056 /nfs/dbraw/zinc/51/80/56/384518056.db2.gz UNGGFHOYAUJICW-UHFFFAOYSA-N 0 0 213.284 2.300 50 0 BEAARN CCO[C@@H]1CN(C)C[C@@H](c2ccccc2)O1 ZINC000102197084 384519291 /nfs/dbraw/zinc/51/92/91/384519291.db2.gz JGUIJGYNKPSEDJ-STQMWFEESA-N 0 0 221.300 2.052 50 0 BEAARN O=C([O-])C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000050885389 384521597 /nfs/dbraw/zinc/52/15/97/384521597.db2.gz GJWRAQPOUKXHKR-UHFFFAOYSA-N 0 0 241.237 2.014 50 0 BEAARN COC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000097756785 384553733 /nfs/dbraw/zinc/55/37/33/384553733.db2.gz DCFRCSKESTZADV-SECBINFHSA-N 0 0 229.279 2.446 50 0 BEAARN C[C@H](NS(C)(=O)=O)c1cc2ccccc2o1 ZINC000048840447 384554510 /nfs/dbraw/zinc/55/45/10/384554510.db2.gz OUAOQABGAYMHLF-QMMMGPOBSA-N 0 0 239.296 2.043 50 0 BEAARN COC(=O)C1(c2ccccc2F)CCC1 ZINC000097756825 384555131 /nfs/dbraw/zinc/55/51/31/384555131.db2.gz DQRUTVYCKLTLMR-UHFFFAOYSA-N 0 0 208.232 2.420 50 0 BEAARN Cc1ccc(F)cc1NCc1ncc[nH]1 ZINC000049714580 384555724 /nfs/dbraw/zinc/55/57/24/384555724.db2.gz GAFJNHKDIBKFPM-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN CC(C)(O)c1nc2ccccc2cc1N ZINC000238196950 384537797 /nfs/dbraw/zinc/53/77/97/384537797.db2.gz NOFRQDXKZDAYGB-UHFFFAOYSA-N 0 0 202.257 2.044 50 0 BEAARN CC(C)[C@H]([NH2+]Cc1cccc(F)c1)C(=O)[O-] ZINC000019787745 384538903 /nfs/dbraw/zinc/53/89/03/384538903.db2.gz RFFIBTBBCUVPLB-NSHDSACASA-N 0 0 225.263 2.025 50 0 BEAARN CC(=O)Nc1nnc(-c2cc(C)ccc2C)o1 ZINC000005169636 384586846 /nfs/dbraw/zinc/58/68/46/384586846.db2.gz PWJBHGLSQGMJAY-UHFFFAOYSA-N 0 0 231.255 2.312 50 0 BEAARN COC(=O)C1CC(c2ccc(O)cc2)C1 ZINC000098095315 384589553 /nfs/dbraw/zinc/58/95/53/384589553.db2.gz HWUHVOZHPLPUPT-UHFFFAOYSA-N 0 0 206.241 2.059 50 0 BEAARN COC(=O)C[C@@H](c1cccc(O)c1)C1CC1 ZINC000098213342 384605468 /nfs/dbraw/zinc/60/54/68/384605468.db2.gz PXBFBXFVUPMAJK-GFCCVEGCSA-N 0 0 220.268 2.449 50 0 BEAARN CCC1C(=O)N(c2nc3ccccc3[nH]2)N=C1C ZINC000100096869 384615898 /nfs/dbraw/zinc/61/58/98/384615898.db2.gz KLMFPVGGUNMEPB-UHFFFAOYSA-N 0 0 242.282 2.325 50 0 BEAARN CO[C@]1(C)C[C@@H](NC(=O)[C@@H](C)SC)C1(C)C ZINC000073269029 384621701 /nfs/dbraw/zinc/62/17/01/384621701.db2.gz SCJMDUOOKIPMPJ-KBVBSXBZSA-N 0 0 245.388 2.058 50 0 BEAARN Cc1ccc(C(=O)NCc2ccco2)cc1N ZINC000020194734 384592923 /nfs/dbraw/zinc/59/29/23/384592923.db2.gz MCNDUJRDZWAHFM-UHFFFAOYSA-N 0 0 230.267 2.100 50 0 BEAARN O=C(Oc1ccccc1)N1CCCC(=O)CC1 ZINC000098095732 384593031 /nfs/dbraw/zinc/59/30/31/384593031.db2.gz OYLUXASXYAJKQB-UHFFFAOYSA-N 0 0 233.267 2.240 50 0 BEAARN Fc1ccc(Br)c2c[nH]nc21 ZINC000082370654 384674265 /nfs/dbraw/zinc/67/42/65/384674265.db2.gz ZDXVNDLMTIOXRC-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN C[C@@H](C(N)=O)c1ccccc1Br ZINC000082094885 384648229 /nfs/dbraw/zinc/64/82/29/384648229.db2.gz IQKONPFMPIFWCO-ZCFIWIBFSA-N 0 0 228.089 2.038 50 0 BEAARN CC[C@](C)(CO)NC(=O)c1cc(C)cc(F)c1 ZINC000097081758 384683721 /nfs/dbraw/zinc/68/37/21/384683721.db2.gz BFESHWNYPZDLRI-CYBMUJFWSA-N 0 0 239.290 2.025 50 0 BEAARN COc1cc(N2CCCCC2)ccc1N ZINC000082523357 384690495 /nfs/dbraw/zinc/69/04/95/384690495.db2.gz NAMDFHPYOLDNDF-UHFFFAOYSA-N 0 0 206.289 2.268 50 0 BEAARN CCOc1ccc(CN[C@@H](C)c2nc[nH]n2)cc1 ZINC000095455311 384692221 /nfs/dbraw/zinc/69/22/21/384692221.db2.gz CPKYWUCPKARDLI-JTQLQIEISA-N 0 0 246.314 2.054 50 0 BEAARN Cc1cc(Br)c(N)nc1C ZINC000022048099 384726827 /nfs/dbraw/zinc/72/68/27/384726827.db2.gz PZIWHEZMEJMJLP-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 in-vitro BEAARN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1c[nH]cn1 ZINC000076619717 384698260 /nfs/dbraw/zinc/69/82/60/384698260.db2.gz PPIAKDORZGKLCZ-FOGDFJRCSA-N 0 0 233.315 2.203 50 0 BEAARN COC[C@@H](C)OC(=O)c1cccc2c1ccn2C ZINC000077957225 384707631 /nfs/dbraw/zinc/70/76/31/384707631.db2.gz MZUVGEXLCODAOZ-SNVBAGLBSA-N 0 0 247.294 2.370 50 0 BEAARN COc1ccccc1CSCc1ncnn1C ZINC000078984593 384712933 /nfs/dbraw/zinc/71/29/33/384712933.db2.gz JVTJWUHATQIQPW-UHFFFAOYSA-N 0 0 249.339 2.257 50 0 BEAARN Cc1ccc(C(=O)Nc2nncs2)cc1 ZINC000003016647 384715381 /nfs/dbraw/zinc/71/53/81/384715381.db2.gz YCRQQLNEERIXED-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1nnc(COc2cc(C)ccc2F)o1 ZINC000085565509 384773228 /nfs/dbraw/zinc/77/32/28/384773228.db2.gz GJJRRWGVKAJXEI-UHFFFAOYSA-N 0 0 222.219 2.405 50 0 BEAARN Cc1ccc(CCNc2cc(C)nc(C)n2)cn1 ZINC000080981756 384733150 /nfs/dbraw/zinc/73/31/50/384733150.db2.gz GHUIGNYBHBCEOV-UHFFFAOYSA-N 0 0 242.326 2.451 50 0 BEAARN Cc1ccc(NC(=O)NCC(F)F)c(C)n1 ZINC000176713613 384738815 /nfs/dbraw/zinc/73/88/15/384738815.db2.gz UVCFDKWKSNGCIQ-UHFFFAOYSA-N 0 0 229.230 2.085 50 0 BEAARN Cn1ccc(CNc2cncc(F)c2)c1 ZINC000300944746 384740565 /nfs/dbraw/zinc/74/05/65/384740565.db2.gz SRJBJTPKHQNVIF-UHFFFAOYSA-N 0 0 205.236 2.171 50 0 BEAARN Cc1cc(CCC(N)=O)ccc1Br ZINC000081557206 384741194 /nfs/dbraw/zinc/74/11/94/384741194.db2.gz BNUFOKHLXVHFJV-UHFFFAOYSA-N 0 0 242.116 2.175 50 0 BEAARN Cc1nc(C(=O)NCc2cccnc2)c(C)s1 ZINC000082264845 384741286 /nfs/dbraw/zinc/74/12/86/384741286.db2.gz PEWLCGNZEJZORR-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN C[C@@H](NC(=O)c1cnccn1)c1cccs1 ZINC000022976235 384779837 /nfs/dbraw/zinc/77/98/37/384779837.db2.gz CRCMKMIFFKXNJF-MRVPVSSYSA-N 0 0 233.296 2.029 50 0 BEAARN O=C(CCc1ccsc1)Nc1ncccc1O ZINC000022264002 384752627 /nfs/dbraw/zinc/75/26/27/384752627.db2.gz MSRCJNIWJCGWDD-UHFFFAOYSA-N 0 0 248.307 2.420 50 0 BEAARN CCSc1nc2nc(C)c(C)c(C)n2n1 ZINC000060867403 384756111 /nfs/dbraw/zinc/75/61/11/384756111.db2.gz BGUZYPZSEHTSDP-UHFFFAOYSA-N 0 0 222.317 2.162 50 0 BEAARN O=C(OC1(C2CC2)CC1)c1cscn1 ZINC000083770447 384757759 /nfs/dbraw/zinc/75/77/59/384757759.db2.gz CFTHHQOKEYSBDJ-UHFFFAOYSA-N 0 0 209.270 2.243 50 0 BEAARN COC[C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C ZINC000084636743 384763812 /nfs/dbraw/zinc/76/38/12/384763812.db2.gz OQPPEHNTKPKYFM-NXEZZACHSA-N 0 0 215.337 2.210 50 0 BEAARN COCCCC(=O)N(C)C1CCC(C)CC1 ZINC000097365696 384780321 /nfs/dbraw/zinc/78/03/21/384780321.db2.gz WXFGHZVQVQULCB-UHFFFAOYSA-N 0 0 227.348 2.450 50 0 BEAARN CCC[C@H](C)CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000084740120 384764784 /nfs/dbraw/zinc/76/47/84/384764784.db2.gz KOEZMIJNCLOAJQ-SRVKXCTJSA-N 0 0 227.348 2.496 50 0 BEAARN CCCCNC(=O)/C=C/c1ccccn1 ZINC000060868684 384765517 /nfs/dbraw/zinc/76/55/17/384765517.db2.gz DPUMFAWKMVEKHK-BQYQJAHWSA-N 0 0 204.273 2.011 50 0 BEAARN O=C1CCc2c1c(Br)ccc2O ZINC000071260656 384767419 /nfs/dbraw/zinc/76/74/19/384767419.db2.gz RUUDIHNJAIWYIR-UHFFFAOYSA-N 0 0 227.057 2.284 50 0 BEAARN COC[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000053173335 384768904 /nfs/dbraw/zinc/76/89/04/384768904.db2.gz LGHMBXWUNLZKNS-LLVKDONJSA-N 0 0 214.692 2.280 50 0 BEAARN C[C@H](CC(=O)NC[C@H](C)O)C1CCCCC1 ZINC000126782333 384831123 /nfs/dbraw/zinc/83/11/23/384831123.db2.gz VAYAKEPPVVGHSY-MNOVXSKESA-N 0 0 227.348 2.090 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CC2(F)F)c(C)n1 ZINC000295081207 384786551 /nfs/dbraw/zinc/78/65/51/384786551.db2.gz WUNIHWVWJINUMS-MRVPVSSYSA-N 0 0 226.226 2.292 50 0 BEAARN FC[C@@H]1CCCN1Cc1cncs1 ZINC000294149824 384786700 /nfs/dbraw/zinc/78/67/00/384786700.db2.gz VHUQXIIWCULNGE-QMMMGPOBSA-N 0 0 200.282 2.077 50 0 BEAARN CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000023182075 384789633 /nfs/dbraw/zinc/78/96/33/384789633.db2.gz RKEGHIMCSIDPJG-NSHDSACASA-N 0 0 243.310 2.289 50 0 BEAARN CN(C)c1cc(Br)ccc1N ZINC000083730572 384793102 /nfs/dbraw/zinc/79/31/02/384793102.db2.gz JGOMSKSXZAEGAY-UHFFFAOYSA-N 0 0 215.094 2.097 50 0 BEAARN O=C1CN[C@@H](c2ccccc2)c2ccccc2N1 ZINC000053993677 384813251 /nfs/dbraw/zinc/81/32/51/384813251.db2.gz SREVNOABLVPRHG-HNNXBMFYSA-N 0 0 238.290 2.318 50 0 BEAARN Nc1noc2ccc(Br)cc12 ZINC000026340433 384871729 /nfs/dbraw/zinc/87/17/29/384871729.db2.gz BGMYWBQEKIMHGU-UHFFFAOYSA-N 0 0 213.034 2.173 50 0 BEAARN Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000026422387 384872132 /nfs/dbraw/zinc/87/21/32/384872132.db2.gz UBAJJOROZBBPEO-UHFFFAOYSA-N 0 0 215.256 2.198 50 0 BEAARN CCO[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000126928830 384844437 /nfs/dbraw/zinc/84/44/37/384844437.db2.gz CSQDRZWNEDBLOQ-QWHCGFSZSA-N 0 0 237.343 2.370 50 0 BEAARN Cn1ccnc1C[S@](=O)CC1CCCCC1 ZINC000177068366 384858738 /nfs/dbraw/zinc/85/87/38/384858738.db2.gz YUGSHMCNBYJBJH-MRXNPFEDSA-N 0 0 240.372 2.249 50 0 BEAARN Cn1ccnc1C[S@@](=O)CC1CCCCC1 ZINC000177068357 384858787 /nfs/dbraw/zinc/85/87/87/384858787.db2.gz YUGSHMCNBYJBJH-INIZCTEOSA-N 0 0 240.372 2.249 50 0 BEAARN COC(=O)c1ccc(C(F)(F)F)[nH]c1=S ZINC000054965093 384863359 /nfs/dbraw/zinc/86/33/59/384863359.db2.gz LOQDGPGMVYBNLK-UHFFFAOYSA-N 0 0 237.202 2.176 50 0 BEAARN CC[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000057467148 384950287 /nfs/dbraw/zinc/95/02/87/384950287.db2.gz JUSKDLRMHAPHCU-ZDUSSCGKSA-N 0 0 217.312 2.488 50 0 BEAARN CCCCN1C(=O)Nc2ccccc2[S@@]1=O ZINC000004391475 384956235 /nfs/dbraw/zinc/95/62/35/384956235.db2.gz XNRAKNFSYCZUCG-MRXNPFEDSA-N 0 0 238.312 2.357 50 0 BEAARN C[C@H](CC(=O)N(C)C)c1ccccc1F ZINC000095408239 384904124 /nfs/dbraw/zinc/90/41/24/384904124.db2.gz BTXGSBOSMWEXLY-SECBINFHSA-N 0 0 209.264 2.408 50 0 BEAARN CC(C)(C)c1cnc(SCCOCCO)o1 ZINC000095416488 384904161 /nfs/dbraw/zinc/90/41/61/384904161.db2.gz PROJTVOCEODDNR-UHFFFAOYSA-N 0 0 245.344 2.073 50 0 BEAARN CCOc1ccc(C(=O)CC2OCCO2)cc1 ZINC000085652214 384961175 /nfs/dbraw/zinc/96/11/75/384961175.db2.gz RGJCAJVIOMJLNQ-UHFFFAOYSA-N 0 0 236.267 2.031 50 0 BEAARN FC(F)(F)[C@@H]1CCCN(c2cnccn2)C1 ZINC000192905448 384930136 /nfs/dbraw/zinc/93/01/36/384930136.db2.gz SROCEZMXEHHWEJ-MRVPVSSYSA-N 0 0 231.221 2.255 50 0 BEAARN O=C([O-])CSC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000085389390 384941249 /nfs/dbraw/zinc/94/12/49/384941249.db2.gz ILNNSEOHNOANCC-MNOVXSKESA-N 0 0 243.372 2.069 50 0 BEAARN CC(Nc1ccccc1F)=C1CCOC1=O ZINC000004334920 384965385 /nfs/dbraw/zinc/96/53/85/384965385.db2.gz JWQLUTQWFLNTKL-CMDGGOBGSA-N 0 0 221.231 2.459 50 0 BEAARN c1cn2cc(CSc3ncccn3)nc2s1 ZINC000012523635 384966666 /nfs/dbraw/zinc/96/66/66/384966666.db2.gz OVBZIYNXQXTPNC-UHFFFAOYSA-N 0 0 248.336 2.478 50 0 BEAARN CSCCCNC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000127960649 384971352 /nfs/dbraw/zinc/97/13/52/384971352.db2.gz ZXUQNRJDPHHSEW-GHMZBOCLSA-N 0 0 244.404 2.427 50 0 BEAARN NCC(=O)c1cc(Cl)ccc1Cl ZINC000058114633 384985163 /nfs/dbraw/zinc/98/51/63/384985163.db2.gz DREWGHWENMEEQN-UHFFFAOYSA-N 0 0 204.056 2.135 50 0 BEAARN Clc1ccccc1CCn1ccnn1 ZINC000128046001 384986637 /nfs/dbraw/zinc/98/66/37/384986637.db2.gz VESMLEZULGEPFH-UHFFFAOYSA-N 0 0 207.664 2.174 50 0 BEAARN CC[C@](C)(O)CNC(=O)Nc1ccc(C)cc1 ZINC000058202466 384987705 /nfs/dbraw/zinc/98/77/05/384987705.db2.gz LFXJAIFDOSRBLE-ZDUSSCGKSA-N 0 0 236.315 2.278 50 0 BEAARN CCO[C@H](C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000058210412 384990595 /nfs/dbraw/zinc/99/05/95/384990595.db2.gz YGRYHWRVYWFUJN-CHWSQXEVSA-N 0 0 249.354 2.467 50 0 BEAARN Cc1ncsc1C(=O)N(C)[C@@H](C)C1CC1 ZINC000058283492 384997325 /nfs/dbraw/zinc/99/73/25/384997325.db2.gz BVKVTOXEFCBBBM-QMMMGPOBSA-N 0 0 224.329 2.322 50 0 BEAARN Nc1cnc(N2CCCC2)c(Br)c1 ZINC000058408258 385004059 /nfs/dbraw/zinc/00/40/59/385004059.db2.gz MZQTVMDWOFCFSM-UHFFFAOYSA-N 0 0 242.120 2.027 50 0 BEAARN Cc1nc(/C=C/C(=O)NCc2ccco2)cs1 ZINC000014850191 385015342 /nfs/dbraw/zinc/01/53/42/385015342.db2.gz NCIZKUYYPUEXGX-SNAWJCMRSA-N 0 0 248.307 2.374 50 0 BEAARN Cn1cccc1C(=O)N1CCc2sccc2C1 ZINC000058552154 385015413 /nfs/dbraw/zinc/01/54/13/385015413.db2.gz YLSIQFCTTQVKIG-UHFFFAOYSA-N 0 0 246.335 2.285 50 0 BEAARN CCCCNC(=O)[C@@H]1OCCc2ccccc21 ZINC000004838103 385018685 /nfs/dbraw/zinc/01/86/85/385018685.db2.gz RFWRLJQUDNYJPO-CYBMUJFWSA-N 0 0 233.311 2.217 50 0 BEAARN CCCCC(=O)Nc1ccc2c(c1)c(=O)[nH]n2C ZINC000257173649 385019163 /nfs/dbraw/zinc/01/91/63/385019163.db2.gz UGLFCPFKHXIEFW-UHFFFAOYSA-N 0 0 247.298 2.408 50 0 BEAARN O=Cc1n[nH]c2cc(C(F)(F)F)ccc12 ZINC000014985715 385052360 /nfs/dbraw/zinc/05/23/60/385052360.db2.gz KWWVGVOHIZTSLE-UHFFFAOYSA-N 0 0 214.146 2.394 50 0 BEAARN Cc1cnc(I)s1 ZINC000059827133 385053666 /nfs/dbraw/zinc/05/36/66/385053666.db2.gz HUSIZGWEEAVFKT-UHFFFAOYSA-N 0 0 225.054 2.056 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CCC(=O)C[C@@H]2C1 ZINC000059979624 385062741 /nfs/dbraw/zinc/06/27/41/385062741.db2.gz KEEXIHAGXWAFOF-VHSXEESVSA-N 0 0 239.315 2.223 50 0 BEAARN Cc1noc(C)c1C[C@H](C)Nc1cnccn1 ZINC000150874122 385068395 /nfs/dbraw/zinc/06/83/95/385068395.db2.gz REBOKDMNGKNVAH-QMMMGPOBSA-N 0 0 232.287 2.125 50 0 BEAARN COC(=O)c1cc2c(Cl)cc[nH]c-2n1 ZINC000030677907 385025396 /nfs/dbraw/zinc/02/53/96/385025396.db2.gz JPDTUYYBALHQGC-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CCc1ccc(NC(=O)Cc2ccon2)cc1 ZINC000072292851 385026527 /nfs/dbraw/zinc/02/65/27/385026527.db2.gz NXJARWVRJGWOQS-UHFFFAOYSA-N 0 0 230.267 2.418 50 0 BEAARN COC(=O)c1ccc(Br)c(C)c1N ZINC000061674970 385129979 /nfs/dbraw/zinc/12/99/79/385129979.db2.gz FOCWGRWJOKQCAE-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN CCS(=O)(=O)c1ccccc1Br ZINC000060927538 385102468 /nfs/dbraw/zinc/10/24/68/385102468.db2.gz PIZRUAWFDMCXDV-UHFFFAOYSA-N 0 0 249.129 2.243 50 0 BEAARN O=C([O-])COc1ccccc1C[NH2+]C1CCCC1 ZINC000062716823 385183190 /nfs/dbraw/zinc/18/31/90/385183190.db2.gz CLVJOUCEZGRYCZ-UHFFFAOYSA-N 0 0 249.310 2.182 50 0 BEAARN Cc1nc(C)c(C)c(N2CC[C@@]3(CCOC3)C2)n1 ZINC000096474603 385189528 /nfs/dbraw/zinc/18/95/28/385189528.db2.gz MFZXHGNGWMJJSX-CQSZACIVSA-N 0 0 247.342 2.019 50 0 BEAARN CNc1cccc(Br)c1N ZINC000032914665 385190403 /nfs/dbraw/zinc/19/04/03/385190403.db2.gz JHGCZHMBYJRENB-UHFFFAOYSA-N 0 0 201.067 2.073 50 0 BEAARN COc1ccc(F)cc1C(=O)N1CCCC1 ZINC000032895322 385190901 /nfs/dbraw/zinc/19/09/01/385190901.db2.gz XAAMHSXGZSSEJH-UHFFFAOYSA-N 0 0 223.247 2.070 50 0 BEAARN COc1ncccc1NC(=O)c1cccc(C)n1 ZINC000048333231 385192160 /nfs/dbraw/zinc/19/21/60/385192160.db2.gz BFJCGYZVCUZYPL-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN Cc1nnc(CN(C)CCC2CCCC2)n1C ZINC000096424626 385161749 /nfs/dbraw/zinc/16/17/49/385161749.db2.gz ZYRJIEPEPBATKT-UHFFFAOYSA-N 0 0 236.363 2.136 50 0 BEAARN CCCCC(=O)Nc1cc(CC)nc(C)n1 ZINC000096425636 385164755 /nfs/dbraw/zinc/16/47/55/385164755.db2.gz SJRJHHREHFMSBV-UHFFFAOYSA-N 0 0 221.304 2.476 50 0 BEAARN C[C@@]1(CO)CCC[C@H]1Nc1cncc(Cl)n1 ZINC000096427237 385165088 /nfs/dbraw/zinc/16/50/88/385165088.db2.gz RXKUANIAFUEWSF-KCJUWKMLSA-N 0 0 241.722 2.093 50 0 BEAARN C[C@H](CO)S[C@H](C)c1nc(C2CC2)no1 ZINC000096430373 385168709 /nfs/dbraw/zinc/16/87/09/385168709.db2.gz ZWRLOUUJVWGEAB-RNFRBKRXSA-N 0 0 228.317 2.122 50 0 BEAARN c1cnc(N[C@@H]2COC3(C2)CCCCC3)cn1 ZINC000032553365 385169512 /nfs/dbraw/zinc/16/95/12/385169512.db2.gz KHIXGRCKMMZUMX-NSHDSACASA-N 0 0 233.315 2.380 50 0 BEAARN COCCc1noc(C2(c3ccccc3)CC2)n1 ZINC000096449309 385169987 /nfs/dbraw/zinc/16/99/87/385169987.db2.gz XOYRYSONPDSMJZ-UHFFFAOYSA-N 0 0 244.294 2.338 50 0 BEAARN Cc1cc(OCC(=O)c2ccccc2)nnc1C ZINC000107079625 385170134 /nfs/dbraw/zinc/17/01/34/385170134.db2.gz JVHGIISIPAQWPI-UHFFFAOYSA-N 0 0 242.278 2.355 50 0 BEAARN CSC[C@@H](C)OC(=O)c1ccoc1C ZINC000096452578 385175627 /nfs/dbraw/zinc/17/56/27/385175627.db2.gz PRYURARLPHBJFZ-SSDOTTSWSA-N 0 0 214.286 2.496 50 0 BEAARN CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccoc1 ZINC000096454451 385175783 /nfs/dbraw/zinc/17/57/83/385175783.db2.gz OHUVNAZTIWFMJE-CMPLNLGQSA-N 0 0 237.299 2.071 50 0 BEAARN CC(C)c1ccc2c(c1)C(=O)[C@@H](N)CCO2 ZINC000062626078 385178239 /nfs/dbraw/zinc/17/82/39/385178239.db2.gz HBMVBSCPNRYQBI-NSHDSACASA-N 0 0 219.284 2.103 50 0 BEAARN CCOc1ccc(CO)cc1Br ZINC000062703234 385179956 /nfs/dbraw/zinc/17/99/56/385179956.db2.gz QJCLEQVUWMMZLU-UHFFFAOYSA-N 0 0 231.089 2.340 50 0 BEAARN CO[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccco1 ZINC000206861784 385180630 /nfs/dbraw/zinc/18/06/30/385180630.db2.gz YJEOZLQIUXOPRM-AAEUAGOBSA-N 0 0 249.310 2.440 50 0 BEAARN CCCc1cnc(NC(=O)c2cc[nH]n2)s1 ZINC000096494108 385232248 /nfs/dbraw/zinc/23/22/48/385232248.db2.gz PAGFGFADCPQGRI-UHFFFAOYSA-N 0 0 236.300 2.071 50 0 BEAARN CC[C@]1(C)C[C@@H]1C(=O)N(C)c1cccnc1 ZINC000177377845 385234915 /nfs/dbraw/zinc/23/49/15/385234915.db2.gz RRVCLLYKHWEEBO-DGCLKSJQSA-N 0 0 218.300 2.481 50 0 BEAARN C[C@@H](NCc1noc(C2CC2)n1)c1ccncc1 ZINC000096501579 385235385 /nfs/dbraw/zinc/23/53/85/385235385.db2.gz BUWOYAZGZJHNRG-SECBINFHSA-N 0 0 244.298 2.193 50 0 BEAARN CCOc1cccc(CS[C@H](C)[C@@H](C)O)n1 ZINC000096501859 385238323 /nfs/dbraw/zinc/23/83/23/385238323.db2.gz RTIVVQCNMHZMME-NXEZZACHSA-N 0 0 241.356 2.483 50 0 BEAARN C[C@@H]1S[C@@H](c2ccc(F)cc2)NC1=O ZINC000000128948 385245472 /nfs/dbraw/zinc/24/54/72/385245472.db2.gz GIWCGQHJMAJOSI-WKEGUHRASA-N 0 0 211.261 2.076 50 0 BEAARN CC(C)CCOc1ccc(C(N)=O)cc1 ZINC000008560501 385253107 /nfs/dbraw/zinc/25/31/07/385253107.db2.gz HWEZJVXVIUZXAM-UHFFFAOYSA-N 0 0 207.273 2.210 50 0 BEAARN CC(C)CCNC(=S)NC1CCCC1 ZINC000008577918 385253471 /nfs/dbraw/zinc/25/34/71/385253471.db2.gz ZLOYQVOUZNZCGV-UHFFFAOYSA-N 0 0 214.378 2.439 50 0 BEAARN Cc1ccc(C(=O)CSc2nc[nH]n2)cc1 ZINC000013118700 385254871 /nfs/dbraw/zinc/25/48/71/385254871.db2.gz MUVSMNVNXKMPGC-UHFFFAOYSA-N 0 0 233.296 2.088 50 0 BEAARN Cc1nc(-c2ccc3c(c2)C[C@@H](C)O3)n[nH]1 ZINC000065393461 385303086 /nfs/dbraw/zinc/30/30/86/385303086.db2.gz HDEKETPBMDFVNN-SSDOTTSWSA-N 0 0 215.256 2.104 50 0 BEAARN CCOCCc1nc(CCc2ccccc2)n[nH]1 ZINC000065397661 385305529 /nfs/dbraw/zinc/30/55/29/385305529.db2.gz MXSAHBYOMDLCRU-UHFFFAOYSA-N 0 0 245.326 2.169 50 0 BEAARN CON(C)C(=O)c1ccc(F)c(Cl)c1 ZINC000116177441 385317220 /nfs/dbraw/zinc/31/72/20/385317220.db2.gz XHSFZMHUNQFHCX-UHFFFAOYSA-N 0 0 217.627 2.113 50 0 BEAARN Fc1ccc([C@H]2CCN2Cc2ncc[nH]2)cc1 ZINC000065492887 385317502 /nfs/dbraw/zinc/31/75/02/385317502.db2.gz SSCGTYNRZXNWPN-GFCCVEGCSA-N 0 0 231.274 2.496 50 0 BEAARN CCCC(C)(C)NC(=O)c1cc(C)n[nH]1 ZINC000050807966 385319965 /nfs/dbraw/zinc/31/99/65/385319965.db2.gz WJDFMSJRIZZTAL-UHFFFAOYSA-N 0 0 209.293 2.027 50 0 BEAARN Cc1cc(=O)c2cccc(-n3cccn3)c2[nH]1 ZINC000065533326 385321454 /nfs/dbraw/zinc/32/14/54/385321454.db2.gz ZVYDCROVLKRANB-UHFFFAOYSA-N 0 0 225.251 2.022 50 0 BEAARN Cn1ncc2c1ncnc2Nc1cccc(F)c1 ZINC000008583110 385262019 /nfs/dbraw/zinc/26/20/19/385262019.db2.gz GMVNHVGENKTXOC-UHFFFAOYSA-N 0 0 243.245 2.246 50 0 BEAARN CC(C)[C@@H](Nc1ccccc1)N1C(=O)CCC1=O ZINC000000340796 385278442 /nfs/dbraw/zinc/27/84/42/385278442.db2.gz DMOCFKXLSRMVCC-AWEZNQCLSA-N 0 0 246.310 2.230 50 0 BEAARN CC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000000242992 385279653 /nfs/dbraw/zinc/27/96/53/385279653.db2.gz HABUOKHHUUMQPB-CQSZACIVSA-N 0 0 226.279 2.307 50 0 BEAARN O=Cc1c(C(F)(F)F)nc2sccn12 ZINC000034386917 385280244 /nfs/dbraw/zinc/28/02/44/385280244.db2.gz UZNYVYBQRNSEGZ-UHFFFAOYSA-N 0 0 220.175 2.227 50 0 BEAARN O=C(c1cc(Cl)c[nH]1)N1CCC=C(F)C1 ZINC000272161592 385282561 /nfs/dbraw/zinc/28/25/61/385282561.db2.gz XKFRLPJRCXETTD-UHFFFAOYSA-N 0 0 228.654 2.367 50 0 BEAARN Cc1nscc1C(=O)N1CCC=C(F)C1 ZINC000272855897 385330386 /nfs/dbraw/zinc/33/03/86/385330386.db2.gz UPFJLDBVUHFLFR-UHFFFAOYSA-N 0 0 226.276 2.151 50 0 BEAARN CSc1ncccc1-c1nnc(C)o1 ZINC000064556817 385350403 /nfs/dbraw/zinc/35/04/03/385350403.db2.gz NUJJJFREJSRPOB-UHFFFAOYSA-N 0 0 207.258 2.162 50 0 BEAARN CC(C)c1ccc(NC(=O)NC[C@@H](C)O)cc1 ZINC000191777692 385325007 /nfs/dbraw/zinc/32/50/07/385325007.db2.gz IAXNRHAYBXLRBZ-SNVBAGLBSA-N 0 0 236.315 2.312 50 0 BEAARN O=C(CCc1ccc(F)cc1F)N1CCCO1 ZINC000155802939 385412830 /nfs/dbraw/zinc/41/28/30/385412830.db2.gz BRAKRAJFAJXSAZ-UHFFFAOYSA-N 0 0 241.237 2.061 50 0 BEAARN O=Cc1cc(F)ccc1N1CC(F)(F)C1 ZINC000169725254 385418106 /nfs/dbraw/zinc/41/81/06/385418106.db2.gz NVPDKKBSVGIIGP-UHFFFAOYSA-N 0 0 215.174 2.094 50 0 BEAARN COC(=O)/C=C/c1ccc(Br)o1 ZINC000004543012 385419178 /nfs/dbraw/zinc/41/91/78/385419178.db2.gz HHPXRRQKAZDWDG-HWKANZROSA-N 0 0 231.045 2.228 50 0 BEAARN Cc1c(Cl)c(C(=O)N2CCCCC2)nn1C ZINC000002767512 385512819 /nfs/dbraw/zinc/51/28/19/385512819.db2.gz FDECEUMAWVTSKB-UHFFFAOYSA-N 0 0 241.722 2.008 50 0 BEAARN Cc1cc(C(=O)N2CCC[C@H]2CF)co1 ZINC000294176465 385520508 /nfs/dbraw/zinc/52/05/08/385520508.db2.gz SWSCNNAXKPOVQU-JTQLQIEISA-N 0 0 211.236 2.162 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000014788446 385567759 /nfs/dbraw/zinc/56/77/59/385567759.db2.gz OEEZXWYOYOXHMF-GZMMTYOYSA-N 0 0 233.267 2.068 50 0 BEAARN CNc1nc(N2CCc3ccccc32)ncc1F ZINC000000614919 385596235 /nfs/dbraw/zinc/59/62/35/385596235.db2.gz PJTOEBAVIIWJKY-UHFFFAOYSA-N 0 0 244.273 2.352 50 0 BEAARN C[C@@H](Nc1cccc(CO)c1)[C@H]1CCOC1 ZINC000183860467 385592099 /nfs/dbraw/zinc/59/20/99/385592099.db2.gz VQRAAVVQKBMLHM-PWSUYJOCSA-N 0 0 221.300 2.016 50 0 BEAARN Cc1ccc(CNC(=O)CC2CCOCC2)cc1 ZINC000117121963 385630338 /nfs/dbraw/zinc/63/03/38/385630338.db2.gz GEZLMJGMNXJHJW-UHFFFAOYSA-N 0 0 247.338 2.428 50 0 BEAARN Cc1ccc(C(=O)OCCn2ccnc2)cc1 ZINC000000971653 385705380 /nfs/dbraw/zinc/70/53/80/385705380.db2.gz LBOCDTONRVXMBS-UHFFFAOYSA-N 0 0 230.267 2.049 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cs1 ZINC000001055868 385729216 /nfs/dbraw/zinc/72/92/16/385729216.db2.gz ZKNSBSDCIZSLCO-GXSJLCMTSA-N 0 0 239.340 2.354 50 0 BEAARN FC[C@@H]1CCCN1Cc1cscn1 ZINC000293082378 385733452 /nfs/dbraw/zinc/73/34/52/385733452.db2.gz OYHZNLDQJHZPQO-VIFPVBQESA-N 0 0 200.282 2.077 50 0 BEAARN Cc1cnc(NCC2CC(F)(F)C2)nc1 ZINC000291860196 385746232 /nfs/dbraw/zinc/74/62/32/385746232.db2.gz MYYCNYZXLRDTDZ-UHFFFAOYSA-N 0 0 213.231 2.242 50 0 BEAARN Nc1n[nH]c2ccnc(OCc3ccccc3)c12 ZINC000216077787 385859169 /nfs/dbraw/zinc/85/91/69/385859169.db2.gz XAOCPULRMFPHEN-UHFFFAOYSA-N 0 0 240.266 2.119 50 0 BEAARN Cc1ccc(C)c(S(=O)(=O)N2CCCC2)c1 ZINC000013946755 385833164 /nfs/dbraw/zinc/83/31/64/385833164.db2.gz TVDDDFXJPLWHDW-UHFFFAOYSA-N 0 0 239.340 2.088 50 0 BEAARN CN(Cc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000012539526 385883823 /nfs/dbraw/zinc/88/38/23/385883823.db2.gz RKULLBOPVYCKDU-UHFFFAOYSA-N 0 0 240.306 2.422 50 0 BEAARN CCCCNC(=O)[C@@H](C)Cn1cc(Cl)cn1 ZINC000032611179 385988256 /nfs/dbraw/zinc/98/82/56/385988256.db2.gz DONFFELTPWZZLT-VIFPVBQESA-N 0 0 243.738 2.089 50 0 BEAARN CSCCCNC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000127960424 385949183 /nfs/dbraw/zinc/94/91/83/385949183.db2.gz ZXUQNRJDPHHSEW-QWRGUYRKSA-N 0 0 244.404 2.427 50 0 BEAARN CN(Cc1cccs1)C(=O)[C@@]1(C)C[C@H]1F ZINC000335070646 386019938 /nfs/dbraw/zinc/01/99/38/386019938.db2.gz SEYZUBFZFBEDFP-KOLCDFICSA-N 0 0 227.304 2.455 50 0 BEAARN C/C=C/C=C\C(=O)Nc1cc(OC)ccn1 ZINC000222017907 386034601 /nfs/dbraw/zinc/03/46/01/386034601.db2.gz FKYSCNPMWCSIDP-ICWBMWKASA-N 0 0 218.256 2.161 50 0 BEAARN C[C@H](C1CC1)N(C)C(=O)c1n[nH]c2ccccc21 ZINC000012535896 386116758 /nfs/dbraw/zinc/11/67/58/386116758.db2.gz HXMOFVLILAHRRQ-SECBINFHSA-N 0 0 243.310 2.433 50 0 BEAARN CN(Cc1cccnc1)C(=O)c1cccc(F)c1 ZINC000012545092 386176906 /nfs/dbraw/zinc/17/69/06/386176906.db2.gz TXFJNQMKNMLBTE-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN CC(C)[C@H](C)NC(=O)/C=C/c1cccnc1 ZINC000040490367 386209618 /nfs/dbraw/zinc/20/96/18/386209618.db2.gz WILOEAMHAGEOSR-MLRMMBSGSA-N 0 0 218.300 2.256 50 0 BEAARN CC(=O)Nc1ccc(NC(=S)N2CCC2)cc1 ZINC000041729656 386214287 /nfs/dbraw/zinc/21/42/87/386214287.db2.gz IADNLEGPSYNKEH-UHFFFAOYSA-N 0 0 249.339 2.048 50 0 BEAARN CC/C=C(\C)C(=O)NCc1cccnc1OCC ZINC000040522334 386217094 /nfs/dbraw/zinc/21/70/94/386217094.db2.gz NZEFHNDKQGZWOH-YRNVUSSQSA-N 0 0 248.326 2.453 50 0 BEAARN CCc1ccc(CNC(=O)[C@H]2CCCO2)s1 ZINC000040535691 386217884 /nfs/dbraw/zinc/21/78/84/386217884.db2.gz MVUMHBKALYHJHK-LLVKDONJSA-N 0 0 239.340 2.106 50 0 BEAARN Cn1cc([C@H]2CCCN2c2ccc(F)cn2)cn1 ZINC000225819553 386219447 /nfs/dbraw/zinc/21/94/47/386219447.db2.gz AVSXVIYYFWUPRC-GFCCVEGCSA-N 0 0 246.289 2.296 50 0 BEAARN O=c1cc(-c2ccccc2C(F)(F)F)nc[nH]1 ZINC000236125859 386228019 /nfs/dbraw/zinc/22/80/19/386228019.db2.gz MOSADGTZVZPASD-UHFFFAOYSA-N 0 0 240.184 2.456 50 0 BEAARN Cc1cnc(CN[C@@H](C)c2nccn2C)s1 ZINC000095985047 386227984 /nfs/dbraw/zinc/22/79/84/386227984.db2.gz NRQVHQPBJCNHLB-VIFPVBQESA-N 0 0 236.344 2.036 50 0 BEAARN CO[C@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1 ZINC000012489575 386235802 /nfs/dbraw/zinc/23/58/02/386235802.db2.gz QNYVXKQKMPCTFY-AWEZNQCLSA-N 0 0 249.285 2.477 50 0 BEAARN CC(=O)Nc1ccc(N2CC(C)(C)C2=O)cc1 ZINC000001403410 386241140 /nfs/dbraw/zinc/24/11/40/386241140.db2.gz PHGOCHSYEFNMQT-UHFFFAOYSA-N 0 0 232.283 2.018 50 0 BEAARN Cc1ccc(C(=O)Nc2cnns2)s1 ZINC000225495318 386198451 /nfs/dbraw/zinc/19/84/51/386198451.db2.gz NJEYSQSUHWONJY-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN Cc1cccc(NC(=O)c2ccccn2)n1 ZINC000032721905 386286755 /nfs/dbraw/zinc/28/67/55/386286755.db2.gz CLNFVJGLDKMWPO-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN C[C@@H](NC(=O)NC1CC1)c1ccccc1 ZINC000032843681 386309759 /nfs/dbraw/zinc/30/97/59/386309759.db2.gz DVVBIUIDGYUPGM-SECBINFHSA-N 0 0 204.273 2.209 50 0 BEAARN O=C(CC1CC1)N(Cc1ccncc1)C1CC1 ZINC000298417555 386340320 /nfs/dbraw/zinc/34/03/20/386340320.db2.gz KRTYULVWFLJPFH-UHFFFAOYSA-N 0 0 230.311 2.373 50 0 BEAARN CN(CC(F)F)C(=O)[C@@H]1Cc2ccccc21 ZINC000334490800 386341010 /nfs/dbraw/zinc/34/10/10/386341010.db2.gz VMYISIDIBHRUCG-SNVBAGLBSA-N 0 0 225.238 2.050 50 0 BEAARN CN(Cc1cccc(F)c1)C(=O)C1CC1 ZINC000033000192 386332050 /nfs/dbraw/zinc/33/20/50/386332050.db2.gz AFXXPBNTKULXSX-UHFFFAOYSA-N 0 0 207.248 2.194 50 0 BEAARN CS[C@@H]1CCN(C(=O)NC2CCCC2)C1 ZINC000335663167 386437272 /nfs/dbraw/zinc/43/72/72/386437272.db2.gz UATSZMPWRFPOPJ-SNVBAGLBSA-N 0 0 228.361 2.076 50 0 BEAARN COC(=O)c1c(Cl)cc(C)nc1Cl ZINC000034492548 386441225 /nfs/dbraw/zinc/44/12/25/386441225.db2.gz LXQZBPLSOSNWJR-UHFFFAOYSA-N 0 0 220.055 2.483 50 0 BEAARN FC(F)(F)C1CCN(Cc2cocn2)CC1 ZINC000277572261 386447353 /nfs/dbraw/zinc/44/73/53/386447353.db2.gz BEVNGECAHZUHPD-UHFFFAOYSA-N 0 0 234.221 2.449 50 0 BEAARN CCOc1ncccc1-c1c(C)ncnc1OC ZINC000426684444 386392506 /nfs/dbraw/zinc/39/25/06/386392506.db2.gz LXKYNUCLXUNNGV-UHFFFAOYSA-N 0 0 245.282 2.254 50 0 BEAARN O=C1CC[C@H](c2ccccc2Br)N1 ZINC000237961904 386428756 /nfs/dbraw/zinc/42/87/56/386428756.db2.gz NLBIOMHIVPKNOO-SECBINFHSA-N 0 0 240.100 2.400 50 0 BEAARN Cn1cc(Cl)cc1C(=O)Nc1ccncc1 ZINC000022260588 386429331 /nfs/dbraw/zinc/42/93/31/386429331.db2.gz XZVNZTNHPMSXNM-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN COc1c(C)nccc1Br ZINC000238339892 386466823 /nfs/dbraw/zinc/46/68/23/386466823.db2.gz FMULTJAREUPAMK-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN COC(=O)c1cc(Br)c(C)cc1N ZINC000238338757 386467202 /nfs/dbraw/zinc/46/72/02/386467202.db2.gz CSKVISIFXYJBGB-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN COC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000053096023 386507076 /nfs/dbraw/zinc/50/70/76/386507076.db2.gz FODZDDIUETWJOE-SECBINFHSA-N 0 0 225.313 2.058 50 0 BEAARN C[C@@]12CC[C@H]3[C@@]1(C)N(CCOC3(C)C)C(=O)O2 ZINC000004126739 386515724 /nfs/dbraw/zinc/51/57/24/386515724.db2.gz ZWWCSLNKKSSOED-OASPWFOLSA-N 0 0 239.315 2.175 50 0 BEAARN O=Cc1cc(O)ccc1OC(F)(F)F ZINC000238720952 386525248 /nfs/dbraw/zinc/52/52/48/386525248.db2.gz KFRWPBPEQHOSGC-UHFFFAOYSA-N 0 0 206.119 2.103 50 0 BEAARN C[C@@H](NC(=O)c1ccoc1)c1nc(C2CC2)no1 ZINC000264569178 386545982 /nfs/dbraw/zinc/54/59/82/386545982.db2.gz CITWYLHAEXINSF-SSDOTTSWSA-N 0 0 247.254 2.031 50 0 BEAARN O=C(/C=C/c1ccccc1)NCC[C@H]1CCOC1 ZINC000492423045 386546422 /nfs/dbraw/zinc/54/64/22/386546422.db2.gz HYFABDBTDGJSIQ-UZYOAWRESA-N 0 0 245.322 2.243 50 0 BEAARN O=C(/C=C/c1ccccc1)NCC[C@@H]1CCOC1 ZINC000492423044 386547943 /nfs/dbraw/zinc/54/79/43/386547943.db2.gz HYFABDBTDGJSIQ-PSKZRQQASA-N 0 0 245.322 2.243 50 0 BEAARN C1=C[C@@H]2C[C@H]1C[C@H]2CSc1c[nH]nn1 ZINC000521395289 386679982 /nfs/dbraw/zinc/67/99/82/386679982.db2.gz WHKJLVCKCPMSBA-YIZRAAEISA-N 0 0 207.302 2.109 50 0 BEAARN Cc1cc(C)nc(N2Cc3cccnc3C2)n1 ZINC000585088801 386657437 /nfs/dbraw/zinc/65/74/37/386657437.db2.gz MPRDKYDWMQXDQH-UHFFFAOYSA-N 0 0 226.283 2.009 50 0 BEAARN Cc1nn(C)c(=O)n1-c1ccc(C(C)C)cc1 ZINC000004072988 386737268 /nfs/dbraw/zinc/73/72/68/386737268.db2.gz NYSGCJROFCZOLK-UHFFFAOYSA-N 0 0 231.299 2.003 50 0 BEAARN Cc1nc(C(=O)NCc2ccc(F)cc2)co1 ZINC000022538563 386726999 /nfs/dbraw/zinc/72/69/99/386726999.db2.gz SILHVJFKFSEEFN-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN FC(F)(F)C1CCN(Cc2cnccn2)CC1 ZINC000334558798 386801876 /nfs/dbraw/zinc/80/18/76/386801876.db2.gz GGSIGCXFXFTMJI-UHFFFAOYSA-N 0 0 245.248 2.251 50 0 BEAARN O=C(Nn1cnc2ccccc21)c1ccccc1 ZINC000012899124 386842272 /nfs/dbraw/zinc/84/22/72/386842272.db2.gz IHQFDHLHUGZBIY-UHFFFAOYSA-N 0 0 237.262 2.420 50 0 BEAARN O=C(Nc1nncs1)c1cc(F)cc(F)c1 ZINC000012848980 386968217 /nfs/dbraw/zinc/96/82/17/386968217.db2.gz BUAVLWKLUSMDKP-UHFFFAOYSA-N 0 0 241.222 2.069 50 0 BEAARN O=C(NC[C@H]1CCCC1(F)F)c1ccc[nH]1 ZINC000334896171 386969680 /nfs/dbraw/zinc/96/96/80/386969680.db2.gz AJGJWKZZKFLMIY-MRVPVSSYSA-N 0 0 228.242 2.180 50 0 BEAARN CCc1cc2c(ncnc2N[C@H](C)CO)s1 ZINC000075136736 386978629 /nfs/dbraw/zinc/97/86/29/386978629.db2.gz JNCZDNXLXATLCV-SSDOTTSWSA-N 0 0 237.328 2.046 50 0 BEAARN CSCC(=O)Nc1ccc(F)c(F)c1 ZINC000045829839 387018507 /nfs/dbraw/zinc/01/85/07/387018507.db2.gz CXRIKRPKFIGWIF-UHFFFAOYSA-N 0 0 217.240 2.266 50 0 BEAARN Cc1cc(CN2CCC[C@@](C)(F)C2)ncn1 ZINC000295305616 387083768 /nfs/dbraw/zinc/08/37/68/387083768.db2.gz FOTXSTUTDLZDFK-GFCCVEGCSA-N 0 0 223.295 2.109 50 0 BEAARN COc1cc(-c2cc(C)ccc2F)nc(N)n1 ZINC000067725860 387098105 /nfs/dbraw/zinc/09/81/05/387098105.db2.gz GUWSQKOBFIKFDV-UHFFFAOYSA-N 0 0 233.246 2.182 50 0 BEAARN O=Cc1ccc(F)cc1OCC(F)F ZINC000585662277 387120219 /nfs/dbraw/zinc/12/02/19/387120219.db2.gz RAJJVZIDYFHYMK-UHFFFAOYSA-N 0 0 204.147 2.282 50 0 BEAARN CC(C)(C)[C@H](O)CCNC(=O)[C@H]1CC=CCC1 ZINC000075170574 387155664 /nfs/dbraw/zinc/15/56/64/387155664.db2.gz ONCJMTMBEOKBKK-NWDGAFQWSA-N 0 0 239.359 2.256 50 0 BEAARN COc1ncc(NC(=O)Nc2ccccc2)cn1 ZINC000075172135 387156354 /nfs/dbraw/zinc/15/63/54/387156354.db2.gz TVRWUIREHJWALJ-UHFFFAOYSA-N 0 0 244.254 2.129 50 0 BEAARN CC(C)c1nsc(N2CCSCC2)n1 ZINC000089893705 387189839 /nfs/dbraw/zinc/18/98/39/387189839.db2.gz KEOVXKPUFFWBQW-UHFFFAOYSA-N 0 0 229.374 2.215 50 0 BEAARN CCO[C@@H](C)c1nccn1Cc1cc(C)on1 ZINC000089521635 387132816 /nfs/dbraw/zinc/13/28/16/387132816.db2.gz NOWDPBYSTBBUFJ-JTQLQIEISA-N 0 0 235.287 2.325 50 0 BEAARN CN(Cc1cccn1C)C(=O)NC1CCCC1 ZINC000064554282 387219249 /nfs/dbraw/zinc/21/92/49/387219249.db2.gz FMLHIKIDXOLXSA-UHFFFAOYSA-N 0 0 235.331 2.109 50 0 BEAARN CN(Cc1cccn1C)C(=O)c1ccccc1F ZINC000064554038 387219935 /nfs/dbraw/zinc/21/99/35/387219935.db2.gz VWTTXEMNSANNCT-UHFFFAOYSA-N 0 0 246.285 2.436 50 0 BEAARN CCC1=NO[C@H](C(=O)Nc2ccccc2)C1 ZINC000064555270 387221106 /nfs/dbraw/zinc/22/11/06/387221106.db2.gz RWCFOZJKYPTGTR-NSHDSACASA-N 0 0 218.256 2.180 50 0 BEAARN CCCn1ccc(NC(=O)NC2CCCC2)n1 ZINC000064555953 387221577 /nfs/dbraw/zinc/22/15/77/387221577.db2.gz BSWLFUAFFPOBIN-UHFFFAOYSA-N 0 0 236.319 2.357 50 0 BEAARN O=C1[C@@H]2CC[C@H]1Cc1cc(O)ccc1C2 ZINC000032915215 387248928 /nfs/dbraw/zinc/24/89/28/387248928.db2.gz JZHXIHHXODNANH-ZJUUUORDSA-N 0 0 202.253 2.086 50 0 BEAARN CC(=O)N[C@@H]1CCCC[C@@H]1OCCC(C)C ZINC000089336447 387293246 /nfs/dbraw/zinc/29/32/46/387293246.db2.gz ZIVSWQWCHSQXEC-OLZOCXBDSA-N 0 0 227.348 2.496 50 0 BEAARN CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C ZINC000089336444 387293957 /nfs/dbraw/zinc/29/39/57/387293957.db2.gz ZIVSWQWCHSQXEC-QWHCGFSZSA-N 0 0 227.348 2.496 50 0 BEAARN O=S1(=O)C[C@]23C=CC=C[C@]2(C1)CCCCC3 ZINC000101036482 387298288 /nfs/dbraw/zinc/29/82/88/387298288.db2.gz IUOPYAZMCGLGBR-STQMWFEESA-N 0 0 238.352 2.478 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000012979447 387363527 /nfs/dbraw/zinc/36/35/27/387363527.db2.gz VBUJCSMOXICNDW-BXKDBHETSA-N 0 0 221.275 2.440 50 0 BEAARN COCCN(Cc1cccs1)C(=O)C1CC1 ZINC000040473047 387370651 /nfs/dbraw/zinc/37/06/51/387370651.db2.gz PUDAYFCGGBMFGE-UHFFFAOYSA-N 0 0 239.340 2.133 50 0 BEAARN Cn1cc(CNc2cnccn2)c(C(C)(C)C)n1 ZINC000192152268 387353267 /nfs/dbraw/zinc/35/32/67/387353267.db2.gz DEECHJCJGMIJBE-UHFFFAOYSA-N 0 0 245.330 2.120 50 0 BEAARN C/C=C/C=C/C(=O)Oc1c(C)nn(C)c1C ZINC000096424020 387461686 /nfs/dbraw/zinc/46/16/86/387461686.db2.gz AVSNYHLMAVSXQY-BSWSSELBSA-N 0 0 220.272 2.075 50 0 BEAARN Cc1nnsc1C(=O)N(C)c1ccccc1 ZINC000000385486 387437428 /nfs/dbraw/zinc/43/74/28/387437428.db2.gz CKOGASHLHVWJBL-UHFFFAOYSA-N 0 0 233.296 2.123 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(C)c(F)c2)n(C)n1 ZINC000084183339 387442771 /nfs/dbraw/zinc/44/27/71/387442771.db2.gz KXLVRQGLLDKKFJ-UHFFFAOYSA-N 0 0 247.273 2.428 50 0 BEAARN Cc1nnc2ccc(N3CCCCCCC3)nn12 ZINC000077291465 387450068 /nfs/dbraw/zinc/45/00/68/387450068.db2.gz WXZWPPSOQMANTP-UHFFFAOYSA-N 0 0 245.330 2.203 50 0 BEAARN COCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@H]1C ZINC000077559655 387451389 /nfs/dbraw/zinc/45/13/89/387451389.db2.gz HTFGYHDJXIFHMC-SDDRHHMPSA-N 0 0 242.363 2.241 50 0 BEAARN Cc1noc(-c2cncnc2NC2CCCC2)n1 ZINC000263617766 387386321 /nfs/dbraw/zinc/38/63/21/387386321.db2.gz PNIIMOUFQHDZRV-UHFFFAOYSA-N 0 0 245.286 2.190 50 0 BEAARN COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1C ZINC000012984713 387386442 /nfs/dbraw/zinc/38/64/42/387386442.db2.gz FTVIOYWIJQZVJZ-LDYMZIIASA-N 0 0 247.294 2.376 50 0 BEAARN C/C=C/C=C\C(=O)Nc1ccc(OC)nc1 ZINC000103282727 387389530 /nfs/dbraw/zinc/38/95/30/387389530.db2.gz CXJQDNPDQJGKLL-ICWBMWKASA-N 0 0 218.256 2.161 50 0 BEAARN O=C(Cn1cccc1)NC1CCC(F)(F)CC1 ZINC000575608575 387395991 /nfs/dbraw/zinc/39/59/91/387395991.db2.gz URUFXWMAOKVDSW-UHFFFAOYSA-N 0 0 242.269 2.182 50 0 BEAARN CC(=O)c1ccc(NCc2ncc(C)o2)nc1 ZINC000192735424 387413509 /nfs/dbraw/zinc/41/35/09/387413509.db2.gz DTIRQEJXXLEBLE-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CSC[C@@H](C)C(=O)Nc1cc(F)ccc1O ZINC000096452125 387461126 /nfs/dbraw/zinc/46/11/26/387461126.db2.gz GFFAEIAEZXOWTB-SSDOTTSWSA-N 0 0 243.303 2.469 50 0 BEAARN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)[O-] ZINC000265259936 387508910 /nfs/dbraw/zinc/50/89/10/387508910.db2.gz QNVYZLUZNZVZBH-DGCLKSJQSA-N 0 0 233.311 2.339 50 0 BEAARN Cc1oc(C)c(C(=O)N2CCO[C@@H](C)C2)c1C ZINC000032873788 387515185 /nfs/dbraw/zinc/51/51/85/387515185.db2.gz KATCEKFJPLVTQJ-QMMMGPOBSA-N 0 0 237.299 2.066 50 0 BEAARN C[C@H](NC(=O)NC1CCCCC1)[C@H]1CCCO1 ZINC000016972449 387518623 /nfs/dbraw/zinc/51/86/23/387518623.db2.gz JBKLNOYKBRTWAA-CMPLNLGQSA-N 0 0 240.347 2.186 50 0 BEAARN c1ncn(CCN(CC2CC2)c2ccccc2)n1 ZINC000096460153 387463061 /nfs/dbraw/zinc/46/30/61/387463061.db2.gz QRXVDCQSNJXLDG-UHFFFAOYSA-N 0 0 242.326 2.195 50 0 BEAARN CSC(C)(C)CNC(=O)Nc1cc(C)on1 ZINC000096433670 387464149 /nfs/dbraw/zinc/46/41/49/387464149.db2.gz XNZRWIBAHXXSBV-UHFFFAOYSA-N 0 0 243.332 2.246 50 0 BEAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccccc1 ZINC000100525904 387471833 /nfs/dbraw/zinc/47/18/33/387471833.db2.gz RVTANKMKMMBUOZ-VXGBXAGGSA-N 0 0 229.279 2.366 50 0 BEAARN COCCn1c2ccc(Cl)cc2sc1=N ZINC000100969237 387473596 /nfs/dbraw/zinc/47/35/96/387473596.db2.gz DSGBIBFGBZOGPG-UHFFFAOYSA-N 0 0 242.731 2.482 50 0 BEAARN O=C1c2ccccc2[C@H](O)N1c1ccccc1 ZINC000001704467 387483598 /nfs/dbraw/zinc/48/35/98/387483598.db2.gz ZLODOCHSFJATAJ-ZDUSSCGKSA-N 0 0 225.247 2.338 50 0 BEAARN O=C1[C@H]2[C@H](C(=O)[C@@H]3[C@H]1[C@H]1C=C[C@@H]3C1)[C@H]1C=C[C@@H]2C1 ZINC000005185621 387486170 /nfs/dbraw/zinc/48/61/70/387486170.db2.gz ZCJHLBHJGLCVRU-MMUYANBASA-N 0 0 240.302 2.015 50 0 BEAARN NC(=O)c1cncc(-c2cnc3ccccc3c2)c1 ZINC000426580915 387580560 /nfs/dbraw/zinc/58/05/60/387580560.db2.gz DDXBHRLBKDDMNO-UHFFFAOYSA-N 0 0 249.273 2.396 50 0 BEAARN COc1cc(F)ccc1-c1ncnc(N)c1C ZINC000426596427 387581189 /nfs/dbraw/zinc/58/11/89/387581189.db2.gz DQBJDQOTSBEYNA-UHFFFAOYSA-N 0 0 233.246 2.012 50 0 BEAARN CCc1cc(-c2ccncc2)nc(N(C)C)n1 ZINC000426656922 387584042 /nfs/dbraw/zinc/58/40/42/387584042.db2.gz JBLYMTFEHYXDTO-UHFFFAOYSA-N 0 0 228.299 2.167 50 0 BEAARN CN(Cc1ccco1)C(=O)C1CCCC1 ZINC000013021080 387584617 /nfs/dbraw/zinc/58/46/17/387584617.db2.gz AZBVPWZFRSHLJV-UHFFFAOYSA-N 0 0 207.273 2.428 50 0 BEAARN CC(C)Cc1nc(-c2ccc(N(C)C)nc2)n[nH]1 ZINC000426668262 387584707 /nfs/dbraw/zinc/58/47/07/387584707.db2.gz HEDGHYIOSHIMMZ-UHFFFAOYSA-N 0 0 245.330 2.131 50 0 BEAARN CC1=CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000426701508 387586228 /nfs/dbraw/zinc/58/62/28/387586228.db2.gz XUBQDOZYANFLSJ-UHFFFAOYSA-N 0 0 241.241 2.140 50 0 BEAARN CC(C)(C)c1nc(-c2cccnc2)n[nH]1 ZINC000426701649 387586242 /nfs/dbraw/zinc/58/62/42/387586242.db2.gz QXYRWORUQBHBEP-UHFFFAOYSA-N 0 0 202.261 2.164 50 0 BEAARN Cc1cc(C(=O)Nc2ccc3n[nH]cc3c2)no1 ZINC000006699493 387625303 /nfs/dbraw/zinc/62/53/03/387625303.db2.gz CXGULGCHXDRSCW-UHFFFAOYSA-N 0 0 242.238 2.112 50 0 BEAARN CC[C@@H](C)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000032899811 387552287 /nfs/dbraw/zinc/55/22/87/387552287.db2.gz SEWUZTWDSHAJJR-MRVPVSSYSA-N 0 0 246.314 2.261 50 0 BEAARN C[C@H](CO)S[C@H](C)C(=O)Nc1ccccc1 ZINC000160709875 387557458 /nfs/dbraw/zinc/55/74/58/387557458.db2.gz QTSFDQRSNFGVLH-NXEZZACHSA-N 0 0 239.340 2.128 50 0 BEAARN CCc1nc(-c2c(OC)cccc2OC)nn1C ZINC000426442972 387568599 /nfs/dbraw/zinc/56/85/99/387568599.db2.gz PEMFSSYGOCXPIW-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN Cc1nn(CCC(N)=O)c(C)c1-c1ccsc1 ZINC000426474228 387573928 /nfs/dbraw/zinc/57/39/28/387573928.db2.gz JGIHWYAHRQIXIX-UHFFFAOYSA-N 0 0 249.339 2.104 50 0 BEAARN COc1ncccc1-c1ccc(OC(C)C)nn1 ZINC000426515461 387577858 /nfs/dbraw/zinc/57/78/58/387577858.db2.gz CCRFSRGTUNLJEK-UHFFFAOYSA-N 0 0 245.282 2.334 50 0 BEAARN CCCCOC(=O)Nc1nccs1 ZINC000001770682 387644502 /nfs/dbraw/zinc/64/45/02/387644502.db2.gz LFNCOYVZNNYYTE-UHFFFAOYSA-N 0 0 200.263 2.492 50 0 BEAARN Cc1cc(C)cc(CNc2cnn(CCO)c2)c1 ZINC000095348567 177901574 /nfs/dbraw/zinc/90/15/74/177901574.db2.gz OGPODHVQILMVOY-UHFFFAOYSA-N 0 0 245.326 2.104 50 0 BEAARN Cc1nnc(CSc2ccc(O)cc2)o1 ZINC000037995747 387765481 /nfs/dbraw/zinc/76/54/81/387765481.db2.gz QSMZSOVQILXTAS-UHFFFAOYSA-N 0 0 222.269 2.376 50 0 BEAARN CCONC(=O)c1cc(CC)c(C)s1 ZINC000036392398 387785255 /nfs/dbraw/zinc/78/52/55/387785255.db2.gz OURYJFNHZCZSCS-UHFFFAOYSA-N 0 0 213.302 2.300 50 0 BEAARN CS[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000064034367 387786375 /nfs/dbraw/zinc/78/63/75/387786375.db2.gz RFFVIHRYBTXYFL-MRVPVSSYSA-N 0 0 217.334 2.359 50 0 BEAARN CCONC(=O)c1cccc(CSC)c1 ZINC000036393320 387788458 /nfs/dbraw/zinc/78/84/58/387788458.db2.gz JLDILLHNDFFAFN-UHFFFAOYSA-N 0 0 225.313 2.231 50 0 BEAARN Cc1ccc(C(=O)NCC(F)(F)F)s1 ZINC000036394841 387791758 /nfs/dbraw/zinc/79/17/58/387791758.db2.gz UZHASOZCCKPAMW-UHFFFAOYSA-N 0 0 223.219 2.349 50 0 BEAARN Cc1cc(C)cc(C(=O)Nc2nncs2)c1 ZINC000013746508 177894648 /nfs/dbraw/zinc/89/46/48/177894648.db2.gz DORHAKCFWSNKPQ-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)Cc2ccco2)cn1 ZINC000036397205 387796702 /nfs/dbraw/zinc/79/67/02/387796702.db2.gz DWXIXFLDPYVDTF-NSHDSACASA-N 0 0 244.294 2.344 50 0 BEAARN c1c(C2CC2)nnn1C1CCSCC1 ZINC000575622162 387808105 /nfs/dbraw/zinc/80/81/05/387808105.db2.gz WZIQOBGAIAXWQE-UHFFFAOYSA-N 0 0 209.318 2.224 50 0 BEAARN FCC1CCN(Cc2cscn2)CC1 ZINC000295117459 387757975 /nfs/dbraw/zinc/75/79/75/387757975.db2.gz WAUFLVGEQZSJQA-UHFFFAOYSA-N 0 0 214.309 2.325 50 0 BEAARN Cc1ccc(C)c(NC(=O)C(=O)c2ccc[nH]2)c1 ZINC000065083648 387835828 /nfs/dbraw/zinc/83/58/28/387835828.db2.gz NQNAXHGBUBKWLE-UHFFFAOYSA-N 0 0 242.278 2.453 50 0 BEAARN CCc1ccccc1NC(=O)NCCOC ZINC000036179377 387843432 /nfs/dbraw/zinc/84/34/32/387843432.db2.gz MKRJCIWOLZQOJV-UHFFFAOYSA-N 0 0 222.288 2.017 50 0 BEAARN O=C(/C=C/c1ccncc1)NCc1cccs1 ZINC000032206527 387847681 /nfs/dbraw/zinc/84/76/81/387847681.db2.gz QYAKOCSFDBOEOB-ONEGZZNKSA-N 0 0 244.319 2.473 50 0 BEAARN CC(C)(C)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000065428843 387855217 /nfs/dbraw/zinc/85/52/17/387855217.db2.gz QHDXMFYSJYLGQW-UHFFFAOYSA-N 0 0 223.320 2.236 50 0 BEAARN CCCc1cc(N[C@H](C)C2CC2)n2ncnc2n1 ZINC000064905069 387892022 /nfs/dbraw/zinc/89/20/22/387892022.db2.gz YIRFOIPMASTBMR-SECBINFHSA-N 0 0 245.330 2.287 50 0 BEAARN Cc1cnc(C(=O)N[C@@H]2CCCC[C@@H]2C)cn1 ZINC000003559876 322812059 /nfs/dbraw/zinc/81/20/59/322812059.db2.gz QPNVAPBAQNRRPC-GXSJLCMTSA-N 0 0 233.315 2.094 50 0 BEAARN Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2C)cc1CO ZINC000225554253 177865770 /nfs/dbraw/zinc/86/57/70/177865770.db2.gz GEZNZKRWCJUBFC-JOYOIKCWSA-N 0 0 233.311 2.390 50 0 BEAARN CC(C)CCOC(=O)CNC(=O)CC(C)(C)C ZINC000064966452 387911963 /nfs/dbraw/zinc/91/19/63/387911963.db2.gz OPWHRGZVCHTLRH-UHFFFAOYSA-N 0 0 243.347 2.128 50 0 BEAARN Cc1cc(C)c(C(=O)N2CCC[C@@H]2CF)o1 ZINC000293961574 177843292 /nfs/dbraw/zinc/84/32/92/177843292.db2.gz AVMJBPRUYDOXCB-SNVBAGLBSA-N 0 0 225.263 2.471 50 0 BEAARN CCCCOC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000001816348 387948609 /nfs/dbraw/zinc/94/86/09/387948609.db2.gz SOACZEKLCAOMDI-GFCCVEGCSA-N 0 0 248.278 2.111 50 0 BEAARN Cc1n[nH]cc1CNC(=O)Nc1ccccc1F ZINC000037991348 387950100 /nfs/dbraw/zinc/95/01/00/387950100.db2.gz DWWHWWAGOPIGJQ-UHFFFAOYSA-N 0 0 248.261 2.179 50 0 BEAARN Cc1cc(C(=O)Nc2ccnn2C(C)C)on1 ZINC000022290102 177818403 /nfs/dbraw/zinc/81/84/03/177818403.db2.gz MKJOKPWNUYLIOV-UHFFFAOYSA-N 0 0 234.259 2.013 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)C(C)(C)C)no1 ZINC000004749195 177808982 /nfs/dbraw/zinc/80/89/82/177808982.db2.gz MIJQBPTWDSKLNG-MRVPVSSYSA-N 0 0 210.277 2.147 50 0 BEAARN Cn1nc(-c2cccc(Cl)c2)cc1N ZINC000026511915 388004323 /nfs/dbraw/zinc/00/43/23/388004323.db2.gz CVGWCFFITRZPLU-UHFFFAOYSA-N 0 0 207.664 2.323 50 0 BEAARN Cc1n[nH]cc1CN[C@@H](C)c1ccco1 ZINC000036901755 388006449 /nfs/dbraw/zinc/00/64/49/388006449.db2.gz SAUSLNOXKQUZJE-VIFPVBQESA-N 0 0 205.261 2.162 50 0 BEAARN Cc1cc(C(=O)NCCc2ccccc2F)no1 ZINC000045293230 177785851 /nfs/dbraw/zinc/78/58/51/177785851.db2.gz SWTRUDXURXQYDF-UHFFFAOYSA-N 0 0 248.257 2.095 50 0 BEAARN CC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000036949815 388060016 /nfs/dbraw/zinc/06/00/16/388060016.db2.gz DLIWVYFZWZSWOP-UHFFFAOYSA-N 0 0 203.241 2.164 50 0 BEAARN C[C@@H](Nc1cnc2ccccc2n1)C(C)(C)O ZINC000065516062 388070286 /nfs/dbraw/zinc/07/02/86/388070286.db2.gz RLMIBRXLRZXZMS-SECBINFHSA-N 0 0 231.299 2.201 50 0 BEAARN c1ccc2c(c1)[nH]cnc2=NO[C@@H]1CCCCO1 ZINC000065517368 388076105 /nfs/dbraw/zinc/07/61/05/388076105.db2.gz AWKHBBLAHKTKHZ-GFCCVEGCSA-N 0 0 245.282 2.500 50 0 BEAARN C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)[O-] ZINC000266998289 388082979 /nfs/dbraw/zinc/08/29/79/388082979.db2.gz BYGXVAMIPMPPGN-AAEUAGOBSA-N 0 0 233.311 2.024 50 0 BEAARN CCCCNC(=O)C1=Cc2ccccc2OC1 ZINC000002021528 388095386 /nfs/dbraw/zinc/09/53/86/388095386.db2.gz XDLFBDPWFMTIOW-UHFFFAOYSA-N 0 0 231.295 2.379 50 0 BEAARN Cc1cc(C(=O)NCc2cc(C)oc2C)no1 ZINC000070640332 388153777 /nfs/dbraw/zinc/15/37/77/388153777.db2.gz GZMVJYAAGLGJAP-UHFFFAOYSA-N 0 0 234.255 2.123 50 0 BEAARN CC(=O)NCc1cccnc1OC1CCCC1 ZINC000170614810 388257955 /nfs/dbraw/zinc/25/79/55/388257955.db2.gz UAMGGTZRVWJXQG-UHFFFAOYSA-N 0 0 234.299 2.039 50 0 BEAARN CCOc1ccccc1NC(=O)[C@@H]1CC[C@@H](O)C1 ZINC000170090645 388258043 /nfs/dbraw/zinc/25/80/43/388258043.db2.gz KDPGSLNDWUTWNG-GHMZBOCLSA-N 0 0 249.310 2.185 50 0 BEAARN O=C(CC1CCCCC1)NC1=NCCS1 ZINC000036724621 388258558 /nfs/dbraw/zinc/25/85/58/388258558.db2.gz UZFDDRKATIGDEB-UHFFFAOYSA-N 0 0 226.345 2.176 50 0 BEAARN COCC[C@H](C)Nc1ccc(-n2ccnn2)cc1 ZINC000170597541 388240238 /nfs/dbraw/zinc/24/02/38/388240238.db2.gz RNILZNGFIHXEHX-NSHDSACASA-N 0 0 246.314 2.104 50 0 BEAARN Cc1coc(Sc2ncc(F)cn2)n1 ZINC000302726372 388345023 /nfs/dbraw/zinc/34/50/23/388345023.db2.gz PHCATDWBEULHPH-UHFFFAOYSA-N 0 0 211.221 2.063 50 0 BEAARN Cc1occc1S[C@H]1CCCCNC1=O ZINC000131439798 388346256 /nfs/dbraw/zinc/34/62/56/388346256.db2.gz XUHMABKOWZVLPM-JTQLQIEISA-N 0 0 225.313 2.349 50 0 BEAARN C[C@@H](NC(=O)c1ccnn1C(F)F)C(C)(C)C ZINC000002780557 388350427 /nfs/dbraw/zinc/35/04/27/388350427.db2.gz OPTCZTYKLROXHD-SSDOTTSWSA-N 0 0 245.273 2.443 50 0 BEAARN Cc1nnc(COc2cccc(C)c2F)o1 ZINC000227296906 388359887 /nfs/dbraw/zinc/35/98/87/388359887.db2.gz FUTGFMULLZNKLC-UHFFFAOYSA-N 0 0 222.219 2.405 50 0 BEAARN CC[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000057536131 388362644 /nfs/dbraw/zinc/36/26/44/388362644.db2.gz ZZQHBHSRSVUXOB-LLVKDONJSA-N 0 0 243.310 2.401 50 0 BEAARN Cc1ccn(CCN(C)c2ccccc2)c(=O)c1 ZINC000089700609 388363211 /nfs/dbraw/zinc/36/32/11/388363211.db2.gz ICGWTJDTHAJFHX-UHFFFAOYSA-N 0 0 242.322 2.293 50 0 BEAARN Cn1cc(CCCNc2ccccc2)cn1 ZINC000089755645 388366384 /nfs/dbraw/zinc/36/63/84/388366384.db2.gz LUAOKTLOSIWKBW-UHFFFAOYSA-N 0 0 215.300 2.465 50 0 BEAARN O=C1/C(=C\c2cccnc2)N=C2CCCCCN12 ZINC000089793914 388366596 /nfs/dbraw/zinc/36/65/96/388366596.db2.gz CLQBORRXFVAWIQ-FMIVXFBMSA-N 0 0 241.294 2.237 50 0 BEAARN CCOc1cc(N(C)CCC(F)(F)F)ncn1 ZINC000122222882 388368825 /nfs/dbraw/zinc/36/88/25/388368825.db2.gz UYOPWLAHNZOTGV-UHFFFAOYSA-N 0 0 249.236 2.264 50 0 BEAARN CC(=O)CSCc1cccc(NC(C)=O)c1 ZINC000089930330 388373780 /nfs/dbraw/zinc/37/37/80/388373780.db2.gz CXLWNAPOUXRDBW-UHFFFAOYSA-N 0 0 237.324 2.467 50 0 BEAARN O=C(/C=C/c1ccco1)O[C@@H]1CCCCC1=O ZINC000003338980 388373803 /nfs/dbraw/zinc/37/38/03/388373803.db2.gz CQOVNZAPAGORCD-ABZNLYFFSA-N 0 0 234.251 2.348 50 0 BEAARN CN(C)c1cccc(CN(C)Cc2ncc[nH]2)c1 ZINC000089922549 388373852 /nfs/dbraw/zinc/37/38/52/388373852.db2.gz DMDCCZHVBDADCN-UHFFFAOYSA-N 0 0 244.342 2.108 50 0 BEAARN CCN(CC(C)(C)O)C(=O)/C=C/c1ccccc1 ZINC000076093544 388374342 /nfs/dbraw/zinc/37/43/42/388374342.db2.gz KLALTHPJZIJCJD-ZHACJKMWSA-N 0 0 247.338 2.319 50 0 BEAARN CC(C)(C)n1nnc2c1c1ccccc1oc2=O ZINC000004118172 388391399 /nfs/dbraw/zinc/39/13/99/388391399.db2.gz VBGNRMUPJXRXJE-UHFFFAOYSA-N 0 0 243.266 2.293 50 0 BEAARN CC[C@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000009959523 388443829 /nfs/dbraw/zinc/44/38/29/388443829.db2.gz VPMWZLUFDOHJFC-UWVGGRQHSA-N 0 0 221.300 2.453 50 0 BEAARN C[C@H]1C[C@@H](O)CN(c2nccc3occc32)C1 ZINC000335236622 388449271 /nfs/dbraw/zinc/44/92/71/388449271.db2.gz JUMZMFGZHMTMDR-VHSXEESVSA-N 0 0 232.283 2.035 50 0 BEAARN CCOC(=O)c1cccn2c(Cl)cnc12 ZINC000137835339 388450129 /nfs/dbraw/zinc/45/01/29/388450129.db2.gz FBKVDTDWDYSPKJ-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN Cc1cc(C)c(NC(=O)Cn2cccn2)c(C)c1 ZINC000032491992 388456424 /nfs/dbraw/zinc/45/64/24/388456424.db2.gz HNTORVKDTUEQNN-UHFFFAOYSA-N 0 0 243.310 2.447 50 0 BEAARN CCC[C@H](C)C(=O)NCc1ccnc(N(C)C)c1 ZINC000040087650 388411925 /nfs/dbraw/zinc/41/19/25/388411925.db2.gz KGSYEIQALLPANR-NSHDSACASA-N 0 0 249.358 2.200 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1cccn1C ZINC000069056646 388412656 /nfs/dbraw/zinc/41/26/56/388412656.db2.gz CVUCTYYGFAFUEY-NSHDSACASA-N 0 0 220.316 2.430 50 0 BEAARN CO[C@@H]1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1 ZINC000008958852 388412683 /nfs/dbraw/zinc/41/26/83/388412683.db2.gz QNYVXKQKMPCTFY-CQSZACIVSA-N 0 0 249.285 2.477 50 0 BEAARN CCCCC[C@@H](C)NC(=O)[C@@H]1CCOC1 ZINC000069314088 388414327 /nfs/dbraw/zinc/41/43/27/388414327.db2.gz SRRBAGXXJFANTJ-GHMZBOCLSA-N 0 0 213.321 2.108 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000040457427 388416381 /nfs/dbraw/zinc/41/63/81/388416381.db2.gz SSVHQJDZKYMPPD-BXKDBHETSA-N 0 0 221.275 2.140 50 0 BEAARN O=C(C1CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000040462065 388417237 /nfs/dbraw/zinc/41/72/37/388417237.db2.gz JQXYACZQKBAXMF-QMMMGPOBSA-N 0 0 221.222 2.197 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2cnn(C)c2C)o1 ZINC000040487848 388417804 /nfs/dbraw/zinc/41/78/04/388417804.db2.gz UCOAZCHFYMTJLD-VIFPVBQESA-N 0 0 247.298 2.121 50 0 BEAARN O=C(CC(F)(F)F)NC1CCCCC1 ZINC000040490311 388418105 /nfs/dbraw/zinc/41/81/05/388418105.db2.gz BLEUGPOAIJHSNU-UHFFFAOYSA-N 0 0 209.211 2.388 50 0 BEAARN CC(C)CCNC(=O)CC[C@@H]1CCCO1 ZINC000040505979 388419196 /nfs/dbraw/zinc/41/91/96/388419196.db2.gz BIORZQFZNBNGIP-NSHDSACASA-N 0 0 213.321 2.108 50 0 BEAARN Cc1nc(C(=O)Nc2ccc(F)cc2)c[nH]1 ZINC000069618391 388422003 /nfs/dbraw/zinc/42/20/03/388422003.db2.gz OKPQZJSGYJMPBF-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN CC(C)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000069703256 388424972 /nfs/dbraw/zinc/42/49/72/388424972.db2.gz YJAAJKNMOMKPTN-GFCCVEGCSA-N 0 0 241.356 2.275 50 0 BEAARN CC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000041172931 388432133 /nfs/dbraw/zinc/43/21/33/388432133.db2.gz JTZGRTJSUZPGLD-LBPRGKRZSA-N 0 0 239.702 2.260 50 0 BEAARN CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000041174390 388433665 /nfs/dbraw/zinc/43/36/65/388433665.db2.gz XKDIIOVLCBFMFF-CYBMUJFWSA-N 0 0 233.311 2.385 50 0 BEAARN COc1ccc(Cn2ccnc2C)cc1F ZINC000041233756 388433762 /nfs/dbraw/zinc/43/37/62/388433762.db2.gz MNIUDLJVFFFZOF-UHFFFAOYSA-N 0 0 220.247 2.388 50 0 BEAARN C[C@@H](NC(=O)c1cnccn1)c1ccc(F)cc1 ZINC000009479862 388436168 /nfs/dbraw/zinc/43/61/68/388436168.db2.gz JVGJHTLLCFAHMR-SECBINFHSA-N 0 0 245.257 2.107 50 0 BEAARN Cc1c(CNC(N)=O)oc2ccc(F)cc12 ZINC000194241301 388483443 /nfs/dbraw/zinc/48/34/43/388483443.db2.gz LFHGAIBOROMVMA-UHFFFAOYSA-N 0 0 222.219 2.049 50 0 BEAARN CCOc1nc2cc(C(=O)N(C)CC)ccc2[nH]1 ZINC000253404594 388590094 /nfs/dbraw/zinc/59/00/94/388590094.db2.gz AVLWLTHAXKQKPF-UHFFFAOYSA-N 0 0 247.298 2.054 50 0 BEAARN CCOCSc1nnc(C2CCC2)n1C ZINC000253420579 388592194 /nfs/dbraw/zinc/59/21/94/388592194.db2.gz ICDTVSZTHMLFEW-UHFFFAOYSA-N 0 0 227.333 2.169 50 0 BEAARN CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)[O-])C1 ZINC000236882433 388596118 /nfs/dbraw/zinc/59/61/18/388596118.db2.gz FLFTZNPGKXBGCF-VHSXEESVSA-N 0 0 231.361 2.067 50 0 BEAARN CSC1=NCCN1C(=O)C1CCCCC1 ZINC000000429364 388572741 /nfs/dbraw/zinc/57/27/41/388572741.db2.gz MZTKRTLHFSHBOE-UHFFFAOYSA-N 0 0 226.345 2.128 50 0 BEAARN Cc1nsc(N2CCS[C@H](C)[C@H]2C)n1 ZINC000301388983 388579339 /nfs/dbraw/zinc/57/93/39/388579339.db2.gz FHJNIVHTYXBYPP-RNFRBKRXSA-N 0 0 229.374 2.177 50 0 BEAARN O=C(NCC1CC1)c1ccc(C(F)(F)F)nc1 ZINC000008678686 388668956 /nfs/dbraw/zinc/66/89/56/388668956.db2.gz METQXDMSZGJAFI-UHFFFAOYSA-N 0 0 244.216 2.240 50 0 BEAARN CO[C@@H](C)[C@H](C)NC(=O)NC1CCC(C)CC1 ZINC000225525313 388683638 /nfs/dbraw/zinc/68/36/38/388683638.db2.gz XJBSPTCROHMMSI-YECOWLKZSA-N 0 0 242.363 2.288 50 0 BEAARN COC(=O)c1ccc(-c2ccc(O)cc2)o1 ZINC000025757110 388622540 /nfs/dbraw/zinc/62/25/40/388622540.db2.gz DBSUWACZAHLWOB-UHFFFAOYSA-N 0 0 218.208 2.439 50 0 BEAARN Nc1cc(Cl)nc(OCC(F)(F)F)c1 ZINC000091364257 388628718 /nfs/dbraw/zinc/62/87/18/388628718.db2.gz MHIAQRHELCOCTK-UHFFFAOYSA-N 0 0 226.585 2.258 50 0 BEAARN C[C@H](NC(=O)c1ncccc1O)c1cccs1 ZINC000037760719 388645920 /nfs/dbraw/zinc/64/59/20/388645920.db2.gz VEBNHZUYNSIFGC-QMMMGPOBSA-N 0 0 248.307 2.340 50 0 BEAARN c1cnc(N2CC[C@@H]3CCCC[C@H]32)cn1 ZINC000110669578 388649004 /nfs/dbraw/zinc/64/90/04/388649004.db2.gz NTCJMHYDLMQTOG-WDEREUQCSA-N 0 0 203.289 2.246 50 0 BEAARN COC(=O)c1cc2cc(O)ccc2s1 ZINC000075615949 388660845 /nfs/dbraw/zinc/66/08/45/388660845.db2.gz SVTGSWWZGBGGJZ-UHFFFAOYSA-N 0 0 208.238 2.394 50 0 BEAARN C=CC(=O)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000328597421 388738173 /nfs/dbraw/zinc/73/81/73/388738173.db2.gz GYMNPOKTGPEDBY-HNNXBMFYSA-N 0 0 243.306 2.169 50 0 BEAARN C1CCC(c2noc([C@@H]3CCOC3)n2)C1 ZINC000089818179 388740305 /nfs/dbraw/zinc/74/03/05/388740305.db2.gz HNQHBAWWQXQNOJ-SECBINFHSA-N 0 0 208.261 2.231 50 0 BEAARN CC(=O)N(CC(F)(F)F)C1CCCC1 ZINC000089930351 388742673 /nfs/dbraw/zinc/74/26/73/388742673.db2.gz UOVJQLIQVFNKKX-UHFFFAOYSA-N 0 0 209.211 2.340 50 0 BEAARN CC[C@H](C)[C@](C)(O)CNc1ccccn1 ZINC000079002725 388743227 /nfs/dbraw/zinc/74/32/27/388743227.db2.gz OBFAPYFPDNKHGS-CMPLNLGQSA-N 0 0 208.305 2.291 50 0 BEAARN COC[C@H](C)OC(=O)c1ccc(C)c(F)c1 ZINC000079102142 388745098 /nfs/dbraw/zinc/74/50/98/388745098.db2.gz BDQIPECRZDITBC-VIFPVBQESA-N 0 0 226.247 2.326 50 0 BEAARN O=C(CCC1CC1)NCCc1cccc(O)c1 ZINC000115711123 388698926 /nfs/dbraw/zinc/69/89/26/388698926.db2.gz SUTYZKSYIUYBLT-UHFFFAOYSA-N 0 0 233.311 2.241 50 0 BEAARN O=C(CC1=CCCCC1)Nc1cnns1 ZINC000225495440 388721947 /nfs/dbraw/zinc/72/19/47/388721947.db2.gz ZDZNWXFZTXJTOV-UHFFFAOYSA-N 0 0 223.301 2.367 50 0 BEAARN Cc1ccc(C(=O)NCC2CC2)cc1F ZINC000012907499 388725095 /nfs/dbraw/zinc/72/50/95/388725095.db2.gz VNUBFVRGWNWIQQ-UHFFFAOYSA-N 0 0 207.248 2.274 50 0 BEAARN CC(C)c1nc(C(=O)Nc2cnccn2)cs1 ZINC000095944529 388791815 /nfs/dbraw/zinc/79/18/15/388791815.db2.gz HFOHUIJEFXTAIO-UHFFFAOYSA-N 0 0 248.311 2.309 50 0 BEAARN CC(C)n1cc(NC(=O)Cc2cccnc2)cn1 ZINC000553865082 388792315 /nfs/dbraw/zinc/79/23/15/388792315.db2.gz FOEBLASFXANMJK-UHFFFAOYSA-N 0 0 244.298 2.040 50 0 BEAARN O=C(NC[C@H]1CCCS1)c1ccccc1 ZINC000095965008 388795374 /nfs/dbraw/zinc/79/53/74/388795374.db2.gz LAQUMPWQPAYSHT-LLVKDONJSA-N 0 0 221.325 2.312 50 0 BEAARN CC[C@H]1c2ccccc2CC[N@H+]1CCC(=O)[O-] ZINC000095960019 388795575 /nfs/dbraw/zinc/79/55/75/388795575.db2.gz JHCXSPBNBNGBOI-ZDUSSCGKSA-N 0 0 233.311 2.471 50 0 BEAARN COCc1nsc(N2[C@H](C)CC[C@H]2C)n1 ZINC000095978565 388797370 /nfs/dbraw/zinc/79/73/70/388797370.db2.gz JLPOSRJRZSEDSJ-HTQZYQBOSA-N 0 0 227.333 2.062 50 0 BEAARN CN(C)c1ccccc1N(C)Cc1ncc[nH]1 ZINC000095977672 388798284 /nfs/dbraw/zinc/79/82/84/388798284.db2.gz RYNWMHBVAVDJHL-UHFFFAOYSA-N 0 0 230.315 2.112 50 0 BEAARN CCc1c(NCc2ncc[nH]2)cnn1CC(C)C ZINC000095988519 388799361 /nfs/dbraw/zinc/79/93/61/388799361.db2.gz JEJQWGAFIFRTOH-UHFFFAOYSA-N 0 0 247.346 2.437 50 0 BEAARN Cc1nnc(CCCOC(=O)c2ccccc2)o1 ZINC000095995853 388801634 /nfs/dbraw/zinc/80/16/34/388801634.db2.gz BPXDVEDIODWUAC-UHFFFAOYSA-N 0 0 246.266 2.168 50 0 BEAARN COC[C@H](C)SCCC(=O)N1CCCCC1 ZINC000096005549 388802391 /nfs/dbraw/zinc/80/23/91/388802391.db2.gz RDZVKSYAVDMYDC-NSHDSACASA-N 0 0 245.388 2.157 50 0 BEAARN Cc1cc(-c2nc([C@H]3CCOC3)no2)cc(C)n1 ZINC000096133556 388810381 /nfs/dbraw/zinc/81/03/81/388810381.db2.gz CWTHZOQHFKJELP-JTQLQIEISA-N 0 0 245.282 2.252 50 0 BEAARN CC(C)(C)NC(=O)NC1(CCO)CCCCC1 ZINC000095418435 388767001 /nfs/dbraw/zinc/76/70/01/388767001.db2.gz LUMVSENBJLKYBV-UHFFFAOYSA-N 0 0 242.363 2.169 50 0 BEAARN Cc1ccnc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000095415123 388768034 /nfs/dbraw/zinc/76/80/34/388768034.db2.gz HXSQRAFUYUZMIL-UTUOFQBUSA-N 0 0 233.315 2.155 50 0 BEAARN CCn1cc(C(=O)OCc2cc(C)oc2C)cn1 ZINC000095416868 388768267 /nfs/dbraw/zinc/76/82/67/388768267.db2.gz VYMNQJJTCLJOKG-UHFFFAOYSA-N 0 0 248.282 2.470 50 0 BEAARN C[C@@H](CCO)CNC(=O)CC1(C)CCCCC1 ZINC000095435531 388771868 /nfs/dbraw/zinc/77/18/68/388771868.db2.gz VZIMZNSMGPQRFM-LBPRGKRZSA-N 0 0 241.375 2.482 50 0 BEAARN COCCc1nsc(N2[C@H](C)CC[C@H]2C)n1 ZINC000095449438 388772893 /nfs/dbraw/zinc/77/28/93/388772893.db2.gz KVSSDKWSLXQMAG-RKDXNWHRSA-N 0 0 241.360 2.104 50 0 BEAARN Cc1nn(C(C)(C)C)c2[nH]c(=O)cc(C)c12 ZINC000018033091 177709959 /nfs/dbraw/zinc/70/99/59/177709959.db2.gz BORLYRGBWLESFG-UHFFFAOYSA-N 0 0 219.288 2.096 50 0 BEAARN FC(F)Oc1ccncc1Br ZINC000096395122 388817389 /nfs/dbraw/zinc/81/73/89/388817389.db2.gz NGPXEJVJBMWMCM-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN CCCCNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000096401055 388817479 /nfs/dbraw/zinc/81/74/79/388817479.db2.gz ZBIRIFNPWDVHBV-ALCCZGGFSA-N 0 0 247.294 2.345 50 0 BEAARN O=C(c1ccnn1C1CCCC1)N1CCCC1 ZINC000096476297 388820726 /nfs/dbraw/zinc/82/07/26/388820726.db2.gz WPZPYDUXODSLAN-UHFFFAOYSA-N 0 0 233.315 2.234 50 0 BEAARN CC[C@@H](CO)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000097047197 388832061 /nfs/dbraw/zinc/83/20/61/388832061.db2.gz DYIZHOFSGISING-UONOGXRCSA-N 0 0 247.338 2.067 50 0 BEAARN COCCn1cc(N[C@@H](C)C(C)(C)C)cn1 ZINC000097037864 388832091 /nfs/dbraw/zinc/83/20/91/388832091.db2.gz XQHATIFAGDIVQW-JTQLQIEISA-N 0 0 225.336 2.376 50 0 BEAARN COC(=O)NC[C@H](OC)c1ccc(Cl)s1 ZINC000225699680 388841168 /nfs/dbraw/zinc/84/11/68/388841168.db2.gz SZWKHCMKJIRYEW-LURJTMIESA-N 0 0 249.719 2.445 50 0 BEAARN CSc1ccc(-c2ccncc2)nn1 ZINC000004391867 388851331 /nfs/dbraw/zinc/85/13/31/388851331.db2.gz YCHFRSVTAHTDKK-UHFFFAOYSA-N 0 0 203.270 2.261 50 0 BEAARN CCC(CC)[C@H](O)CNc1ncc(C)c(C)n1 ZINC000270804638 389015488 /nfs/dbraw/zinc/01/54/88/389015488.db2.gz VDOYMJIDVZGEJG-GFCCVEGCSA-N 0 0 237.347 2.302 50 0 BEAARN Cc1c[nH]c(=O)n1-c1ccc(Cl)cc1 ZINC000038342254 177640858 /nfs/dbraw/zinc/64/08/58/177640858.db2.gz XZQAVWFWSKZTSD-UHFFFAOYSA-N 0 0 208.648 2.127 50 0 BEAARN CC1CCN(c2ccnc(=S)[nH]2)CC1 ZINC000016609348 132323422 /nfs/dbraw/zinc/32/34/22/132323422.db2.gz IOATYAMONBOVMR-UHFFFAOYSA-N 0 0 209.318 2.002 50 0 BEAARN Cc1cccc(N2CCC(=O)CC2)c1C ZINC000019087733 132324036 /nfs/dbraw/zinc/32/40/36/132324036.db2.gz LWJVIJIPTFNWDS-UHFFFAOYSA-N 0 0 203.285 2.473 50 0 BEAARN COC(=O)CCN1CCCc2ccccc21 ZINC000020361980 132331549 /nfs/dbraw/zinc/33/15/49/132331549.db2.gz VZJLKQTVZRVFEI-UHFFFAOYSA-N 0 0 219.284 2.002 50 0 BEAARN CO[C@@H]1CCN(c2ccc(F)cn2)C[C@H]1C ZINC000336273100 132246547 /nfs/dbraw/zinc/24/65/47/132246547.db2.gz VVKXXLAWBUNSQZ-MWLCHTKSSA-N 0 0 224.279 2.082 50 0 BEAARN CC(=O)c1ccc(N2CCC[C@@H](F)C2)nc1 ZINC000336597618 132249073 /nfs/dbraw/zinc/24/90/73/132249073.db2.gz BGMRFYJEMFUQKM-LLVKDONJSA-N 0 0 222.263 2.223 50 0 BEAARN CC[C@H]1CCCCN1c1cc(Cl)nc(N)n1 ZINC000045023500 132298090 /nfs/dbraw/zinc/29/80/90/132298090.db2.gz TUJDXKYFRBKGAU-QMMMGPOBSA-N 0 0 240.738 2.481 50 0 BEAARN CC1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000000111754 132312505 /nfs/dbraw/zinc/31/25/05/132312505.db2.gz ABIAZKYRUXZNBO-UHFFFAOYSA-N 0 0 227.695 2.072 50 0 BEAARN Nc1c(=O)oc2ccccc2c1N1CCCCC1 ZINC000000254948 132313164 /nfs/dbraw/zinc/31/31/64/132313164.db2.gz MIOIKICKVVULMN-UHFFFAOYSA-N 0 0 244.294 2.366 50 0 BEAARN Cc1cc(N2CCOCC2)nc2ccc(O)cc12 ZINC000000323032 132313375 /nfs/dbraw/zinc/31/33/75/132313375.db2.gz HQUGAHNKHMZBPO-UHFFFAOYSA-N 0 0 244.294 2.085 50 0 BEAARN CCC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000000366596 132313558 /nfs/dbraw/zinc/31/35/58/132313558.db2.gz HTMSWXKDCFWUIM-UHFFFAOYSA-N 0 0 237.274 2.255 50 0 BEAARN Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCO1 ZINC000001052261 132314009 /nfs/dbraw/zinc/31/40/09/132314009.db2.gz QKFQYRLOTILBBC-AWEZNQCLSA-N 0 0 245.322 2.453 50 0 BEAARN c1ccc2nc3c(nc2c1)OC[C@H]1CCCCN31 ZINC000001390763 132314029 /nfs/dbraw/zinc/31/40/29/132314029.db2.gz JVXSCCVPBJZLFY-SNVBAGLBSA-N 0 0 241.294 2.381 50 0 BEAARN O=COCc1ccc(N2CCCCC2)c(F)c1 ZINC000011906998 132321056 /nfs/dbraw/zinc/32/10/56/132321056.db2.gz VWLARTKMSKYYQA-UHFFFAOYSA-N 0 0 237.274 2.489 50 0 BEAARN O=C1COc2ccc(Cl)c3c2N1CCC3 ZINC000012428609 132321364 /nfs/dbraw/zinc/32/13/64/132321364.db2.gz CCNOKRSKRDRWEA-UHFFFAOYSA-N 0 0 223.659 2.012 50 0 BEAARN CC(C)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000012983952 132321659 /nfs/dbraw/zinc/32/16/59/132321659.db2.gz YXYWIXSZZUUPHY-UHFFFAOYSA-N 0 0 246.310 2.408 50 0 BEAARN Clc1ccc2cnnc(N3CCOCC3)c2c1 ZINC000015021676 132322607 /nfs/dbraw/zinc/32/26/07/132322607.db2.gz NRWHQDBEFIHCIE-UHFFFAOYSA-N 0 0 249.701 2.120 50 0 BEAARN CC(C)Nc1ccc(N2CCOCC2)cc1 ZINC000020143828 132330045 /nfs/dbraw/zinc/33/00/45/132330045.db2.gz WYZBSJRPNJGDJW-UHFFFAOYSA-N 0 0 220.316 2.344 50 0 BEAARN CCCN1CNC(=S)N(c2ccc(C)cc2)C1 ZINC000020188520 132330113 /nfs/dbraw/zinc/33/01/13/132330113.db2.gz LQMUXTUAXTZHCW-UHFFFAOYSA-N 0 0 249.383 2.317 50 0 BEAARN C[C@@H]1CN(c2ncnc3ccccc32)[C@@H](C)CO1 ZINC000032803914 132335434 /nfs/dbraw/zinc/33/54/34/132335434.db2.gz AWSDCGJYXVSDQE-WDEREUQCSA-N 0 0 243.310 2.243 50 0 BEAARN CC1CCN(c2ccc(Cl)nn2)CC1 ZINC000036047725 132339976 /nfs/dbraw/zinc/33/99/76/132339976.db2.gz QAVLTOHWKKYUBS-UHFFFAOYSA-N 0 0 211.696 2.366 50 0 BEAARN CC1CCN(c2cc(Cl)ncn2)CC1 ZINC000040422401 132347332 /nfs/dbraw/zinc/34/73/32/132347332.db2.gz VJNBAZDFCAAZRV-UHFFFAOYSA-N 0 0 211.696 2.366 50 0 BEAARN C[C@H]1CCCN(c2cc(=S)[nH]cn2)C1 ZINC000045918621 132355018 /nfs/dbraw/zinc/35/50/18/132355018.db2.gz WGKGBYPGDQPCTO-QMMMGPOBSA-N 0 0 209.318 2.375 50 0 BEAARN C[C@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000045918601 132355085 /nfs/dbraw/zinc/35/50/85/132355085.db2.gz AHWUMDOPFUZQFB-QMMMGPOBSA-N 0 0 211.696 2.366 50 0 BEAARN c1ccc([C@@H]2CN(c3ncccn3)CCO2)cc1 ZINC000057516930 132365893 /nfs/dbraw/zinc/36/58/93/132365893.db2.gz CDSGVWFSADYJON-ZDUSSCGKSA-N 0 0 241.294 2.055 50 0 BEAARN CC[C@@H]1CN(C(=O)COC)c2cc(C)ccc2O1 ZINC000064554766 132389376 /nfs/dbraw/zinc/38/93/76/132389376.db2.gz IRYIPNKJVCZZBO-LLVKDONJSA-N 0 0 249.310 2.145 50 0 BEAARN CCCC(=O)N1CCCc2ncccc21 ZINC000069512985 132390300 /nfs/dbraw/zinc/39/03/00/132390300.db2.gz CSEYTJRCVGCADK-UHFFFAOYSA-N 0 0 204.273 2.161 50 0 BEAARN O=C([C@H]1CCCOC1)N1CCCc2ccccc21 ZINC000082322399 132413228 /nfs/dbraw/zinc/41/32/28/132413228.db2.gz RHDGNOPDDUXQCO-ZDUSSCGKSA-N 0 0 245.322 2.392 50 0 BEAARN CCN1C(=O)CCc2cc(NC(=O)OC)ccc21 ZINC000008736275 132442968 /nfs/dbraw/zinc/44/29/68/132442968.db2.gz OSFSYYLUTJBTAJ-UHFFFAOYSA-N 0 0 248.282 2.164 50 0 BEAARN O=C(NC[C@H]1COc2ccccc21)c1ccoc1 ZINC000335123793 133791840 /nfs/dbraw/zinc/79/18/40/133791840.db2.gz RRCWLJWNCIKZRQ-NSHDSACASA-N 0 0 243.262 2.186 50 0 BEAARN CC(C)(C)CNC(=O)C1CC(F)(F)C1 ZINC000336168996 134114455 /nfs/dbraw/zinc/11/44/55/134114455.db2.gz IDQCYCXMZSDNTN-UHFFFAOYSA-N 0 0 205.248 2.194 50 0 BEAARN C[C@H]1CSCCN1Cc1ccncc1F ZINC000336217355 134137282 /nfs/dbraw/zinc/13/72/82/134137282.db2.gz DFHQOPBDLTYFKO-VIFPVBQESA-N 0 0 226.320 2.158 50 0 BEAARN Cc1cc(CCNC(=O)CC2CCCC2)on1 ZINC000077122342 134410330 /nfs/dbraw/zinc/41/03/30/134410330.db2.gz ZRTKZJYDFJWTSD-UHFFFAOYSA-N 0 0 236.315 2.222 50 0 BEAARN CC(C)CC1(CNC(=O)c2cn[nH]c2)CCC1 ZINC000151297488 134463863 /nfs/dbraw/zinc/46/38/63/134463863.db2.gz HCWNKWWGFYXIMD-UHFFFAOYSA-N 0 0 235.331 2.356 50 0 BEAARN O=C1C[C@@H](CSc2ccc3c(c2)CCC3)CN1 ZINC000408521905 134809984 /nfs/dbraw/zinc/80/99/84/134809984.db2.gz AGPNJHNGTCISBQ-SNVBAGLBSA-N 0 0 247.363 2.404 50 0 BEAARN CC(=O)N1CCC(c2ccsc2)CC1 ZINC000077103586 135058107 /nfs/dbraw/zinc/05/81/07/135058107.db2.gz MQNSEYJWMUGSSS-UHFFFAOYSA-N 0 0 209.314 2.474 50 0 BEAARN NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000078351549 135119638 /nfs/dbraw/zinc/11/96/38/135119638.db2.gz KKEVWNXYQYANJX-JGVFFNPUSA-N 0 0 229.201 2.294 50 0 BEAARN O=C(c1cc[nH]c1)N1CCC(C(F)F)CC1 ZINC000334590681 135761178 /nfs/dbraw/zinc/76/11/78/135761178.db2.gz LBRJYBLULRPQHQ-UHFFFAOYSA-N 0 0 228.242 2.132 50 0 BEAARN O=C(NC[C@@H]1CCCC1(F)F)c1ccc[nH]1 ZINC000334896172 135836671 /nfs/dbraw/zinc/83/66/71/135836671.db2.gz AJGJWKZZKFLMIY-QMMMGPOBSA-N 0 0 228.242 2.180 50 0 BEAARN O=C(N[C@H]1CCCC(F)(F)C1)[C@H]1CC12CC2 ZINC000335065214 135887755 /nfs/dbraw/zinc/88/77/55/135887755.db2.gz VKUNXBTWEUZHHD-DTWKUNHWSA-N 0 0 229.270 2.481 50 0 BEAARN Cc1cnc(N2CCC(C(F)F)CC2)nc1 ZINC000335316490 136025074 /nfs/dbraw/zinc/02/50/74/136025074.db2.gz OUPZGCIEGIGNHF-UHFFFAOYSA-N 0 0 227.258 2.267 50 0 BEAARN O=C(C1=CCCC1)N1CCC(CF)CC1 ZINC000335355865 136071206 /nfs/dbraw/zinc/07/12/06/136071206.db2.gz HOONHSLTFVKFHE-UHFFFAOYSA-N 0 0 211.280 2.305 50 0 BEAARN CC[C@H](N[C@@H]1CCCSC1)c1noc(C)n1 ZINC000097370981 397928738 /nfs/dbraw/zinc/92/87/38/397928738.db2.gz PMAVAISMEZLQPN-ZJUUUORDSA-N 0 0 241.360 2.314 50 0 BEAARN CCc1cc(N[C@H]2CCCSC2)n(C)n1 ZINC000097370887 397928958 /nfs/dbraw/zinc/92/89/58/397928958.db2.gz YSANUSZHYSHJIV-JTQLQIEISA-N 0 0 225.361 2.290 50 0 BEAARN COc1ccc(SCC(=O)NC2CC2)cc1 ZINC000020457847 397965642 /nfs/dbraw/zinc/96/56/42/397965642.db2.gz QIZPXRVUQINTBE-UHFFFAOYSA-N 0 0 237.324 2.066 50 0 BEAARN CS(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000000029494 397913885 /nfs/dbraw/zinc/91/38/85/397913885.db2.gz KBYOLEBANUSCKX-UHFFFAOYSA-N 0 0 240.111 2.365 50 0 BEAARN Nc1nc2c(s1)-c1ccccc1CC2 ZINC000000432592 397914701 /nfs/dbraw/zinc/91/47/01/397914701.db2.gz NBJZFXQLZREGNR-UHFFFAOYSA-N 0 0 202.282 2.491 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(OC)c(OC)c1 ZINC000000439674 397915383 /nfs/dbraw/zinc/91/53/83/397915383.db2.gz GTRJZYJHQHISNI-SECBINFHSA-N 0 0 237.299 2.232 50 0 BEAARN C/C=C/C=C/C(=O)Nc1ccnc(C)c1 ZINC000071900258 397923352 /nfs/dbraw/zinc/92/33/52/397923352.db2.gz CGIPFYWRRWKCOQ-VNKDHWASSA-N 0 0 202.257 2.461 50 0 BEAARN CSCC(=O)N[C@@H]1CCc2ccccc21 ZINC000025398375 398026612 /nfs/dbraw/zinc/02/66/12/398026612.db2.gz WXTZYVIXHUWMQW-LLVKDONJSA-N 0 0 221.325 2.153 50 0 BEAARN CCONC(=O)Cc1cccc2ccccc21 ZINC000022874456 397975831 /nfs/dbraw/zinc/97/58/31/397975831.db2.gz OUBPQHXPDHXZOH-UHFFFAOYSA-N 0 0 229.279 2.450 50 0 BEAARN O=C1N[C@H](c2ccc(F)cc2)Nc2ncccc21 ZINC000058157428 398071191 /nfs/dbraw/zinc/07/11/91/398071191.db2.gz SLVRATHNMYUXME-LLVKDONJSA-N 0 0 243.241 2.075 50 0 BEAARN CONC(=O)c1cc(Cl)cc(Cl)c1 ZINC000058167330 398071197 /nfs/dbraw/zinc/07/11/97/398071197.db2.gz DBZMKKVAQSZDPS-UHFFFAOYSA-N 0 0 220.055 2.285 50 0 BEAARN Nc1cnc(-c2cccc3cccnc32)cn1 ZINC000067872944 398095107 /nfs/dbraw/zinc/09/51/07/398095107.db2.gz NGEDIJSBMIQVDH-UHFFFAOYSA-N 0 0 222.251 2.274 50 0 BEAARN Cn1ncc(Cl)c1C(=O)NC1CCCCC1 ZINC000002736502 398088672 /nfs/dbraw/zinc/08/86/72/398088672.db2.gz NZEKCBOPNVJPMT-UHFFFAOYSA-N 0 0 241.722 2.136 50 0 BEAARN Cc1ccc(OCCNC(=O)NCC2CC2)cc1 ZINC000032909465 398120802 /nfs/dbraw/zinc/12/08/02/398120802.db2.gz ATNYHPKSHYFIOU-UHFFFAOYSA-N 0 0 248.326 2.083 50 0 BEAARN CC[C@@H](NC(=O)C=C(C)C1CC1)c1ncc[nH]1 ZINC000222333480 398124027 /nfs/dbraw/zinc/12/40/27/398124027.db2.gz AFBLHSUZGGPFAN-ANYFNZRUSA-N 0 0 233.315 2.333 50 0 BEAARN CC(C)CNC(=O)c1ccnc(Cl)c1 ZINC000019813389 166999619 /nfs/dbraw/zinc/99/96/19/166999619.db2.gz KQNNEIJNGSZQHZ-UHFFFAOYSA-N 0 0 212.680 2.121 50 0 BEAARN CC(C)Nc1ncc(Br)cn1 ZINC000008614796 167150172 /nfs/dbraw/zinc/15/01/72/167150172.db2.gz ZJQAKBVJJMKLEX-UHFFFAOYSA-N 0 0 216.082 2.059 50 0 BEAARN CC(C)OC(=O)CCC(=O)NC1CCCCC1 ZINC000002991611 167154581 /nfs/dbraw/zinc/15/45/81/167154581.db2.gz KSBYKSUYUZSYIW-UHFFFAOYSA-N 0 0 241.331 2.167 50 0 BEAARN C[C@@H](SCC(N)=O)c1cccs1 ZINC000077961220 176008433 /nfs/dbraw/zinc/00/84/33/176008433.db2.gz GXYUFRGGMAGRRN-ZCFIWIBFSA-N 0 0 201.316 2.028 50 0 BEAARN CC(C)OCCCNC(=O)c1ccc(Cl)o1 ZINC000040480704 167220390 /nfs/dbraw/zinc/22/03/90/167220390.db2.gz DYJASMWWRWSKPE-UHFFFAOYSA-N 0 0 245.706 2.478 50 0 BEAARN COC[C@H](C)NC(=O)N1C[C@@H](C)c2ccccc21 ZINC000079115521 487583132 /nfs/dbraw/zinc/58/31/32/487583132.db2.gz FPTWLSMDSHDHRM-MNOVXSKESA-N 0 0 248.326 2.355 50 0 BEAARN CC[C@H](C[C@H](C)CO)Nc1cccc(F)n1 ZINC000096436788 409985236 /nfs/dbraw/zinc/98/52/36/409985236.db2.gz GTTOLSAKFIFOCH-VHSXEESVSA-N 0 0 226.295 2.430 50 0 BEAARN CC[C@@H](C[C@@H](C)CO)Nc1cccc(F)n1 ZINC000096436785 409985247 /nfs/dbraw/zinc/98/52/47/409985247.db2.gz GTTOLSAKFIFOCH-ZJUUUORDSA-N 0 0 226.295 2.430 50 0 BEAARN FC1=CCCN(c2ncc(C(F)F)cn2)C1 ZINC000335223751 410035887 /nfs/dbraw/zinc/03/58/87/410035887.db2.gz POKONTZXVBGERU-UHFFFAOYSA-N 0 0 229.205 2.478 50 0 BEAARN Brc1ccc(-n2cccn2)nc1 ZINC000015021232 166097651 /nfs/dbraw/zinc/09/76/51/166097651.db2.gz AAZVSSMAJOIOOI-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1ccc(OC2COC2)cc1 ZINC000076676135 166097877 /nfs/dbraw/zinc/09/78/77/166097877.db2.gz KTHYKLLJTJDHER-UHFFFAOYSA-N 0 0 229.073 2.227 50 0 BEAARN Brc1ccc2c(c1)OCCO2 ZINC000004208942 166099100 /nfs/dbraw/zinc/09/91/00/166099100.db2.gz LFCURAJBHDNUNG-UHFFFAOYSA-N 0 0 215.046 2.220 50 0 BEAARN Brc1ccc2c(c1)NCCO2 ZINC000008699801 166100181 /nfs/dbraw/zinc/10/01/81/166100181.db2.gz RWKBNMSHIJBNAO-UHFFFAOYSA-N 0 0 214.062 2.253 50 0 BEAARN Brc1ccc2c(c1)COCO2 ZINC000020358094 166100401 /nfs/dbraw/zinc/10/04/01/166100401.db2.gz PGJVSIQVFQXHFL-UHFFFAOYSA-N 0 0 215.046 2.316 50 0 BEAARN Brc1cccc(-c2nnco2)c1 ZINC000000621455 166101466 /nfs/dbraw/zinc/10/14/66/166101466.db2.gz WKAUICDGONASOP-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Brc1cccc(OC[C@H]2CO2)c1 ZINC000004200165 166101999 /nfs/dbraw/zinc/10/19/99/166101999.db2.gz MJDGHPATEBXUTI-VIFPVBQESA-N 0 0 229.073 2.227 50 0 BEAARN Brc1cnc(-c2ccncc2)nc1 ZINC000072192014 166104868 /nfs/dbraw/zinc/10/48/68/166104868.db2.gz HRIIPRDJCQAMMP-UHFFFAOYSA-N 0 0 236.072 2.301 50 0 BEAARN Brc1ccnc(-n2ccnc2)c1 ZINC000042750206 166102544 /nfs/dbraw/zinc/10/25/44/166102544.db2.gz GEIOPZBBECFOOM-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN Brc1ccnn1[C@@H]1CCCCO1 ZINC000040456515 166103142 /nfs/dbraw/zinc/10/31/42/166103142.db2.gz CVHYIERLKZMAPH-QMMMGPOBSA-N 0 0 231.093 2.345 50 0 BEAARN Brc1nc(-c2ccccc2)n[nH]1 ZINC000040457299 166107550 /nfs/dbraw/zinc/10/75/50/166107550.db2.gz SIQJGSXGBGMSOQ-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN CC(=O)c1c(O)cccc1Br ZINC000071789975 166435434 /nfs/dbraw/zinc/43/54/34/166435434.db2.gz XESQSKZNMZZAEQ-UHFFFAOYSA-N 0 0 215.046 2.357 50 0 BEAARN CC(=O)c1ncc(F)cc1Br ZINC000097758804 166490202 /nfs/dbraw/zinc/49/02/02/166490202.db2.gz WOIYJAQZUWFJGM-UHFFFAOYSA-N 0 0 218.025 2.186 50 0 BEAARN CC(C)(C)OC(=O)CS[C@H]1CCCOC1 ZINC000096001698 166641695 /nfs/dbraw/zinc/64/16/95/166641695.db2.gz PKXOCPPBJDQEIY-VIFPVBQESA-N 0 0 232.345 2.240 50 0 BEAARN CC(C)(C)OC(=O)Nc1cccc(N)n1 ZINC000039093454 166670356 /nfs/dbraw/zinc/67/03/56/166670356.db2.gz KEKAANXUQSMDMK-UHFFFAOYSA-N 0 0 209.249 2.011 50 0 BEAARN CC(C)(C)OC(=O)c1ccc(N)c(F)c1 ZINC000038540775 166674953 /nfs/dbraw/zinc/67/49/53/166674953.db2.gz FYHPHTHRJPRDSU-UHFFFAOYSA-N 0 0 211.236 2.363 50 0 BEAARN CC(C)CC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000015831500 166766488 /nfs/dbraw/zinc/76/64/88/166766488.db2.gz PNPAHZSWXVPEKM-NSHDSACASA-N 0 0 238.331 2.045 50 0 BEAARN CC(C)CC(=O)N[C@H]1COc2ccccc2C1 ZINC000053043334 166772037 /nfs/dbraw/zinc/77/20/37/166772037.db2.gz FSYWSPNTAZZCET-GFCCVEGCSA-N 0 0 233.311 2.152 50 0 BEAARN CC(C)CCC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000095423934 166795975 /nfs/dbraw/zinc/79/59/75/166795975.db2.gz SGAWEDOGIHACOC-LLVKDONJSA-N 0 0 235.331 2.340 50 0 BEAARN CC(C)CCNC(=O)Nc1ccncc1 ZINC000042905458 166852402 /nfs/dbraw/zinc/85/24/02/166852402.db2.gz RLVSTLWXZNCWHX-UHFFFAOYSA-N 0 0 207.277 2.249 50 0 BEAARN CN(C)c1ccccc1NC(=O)N1CCCC1 ZINC000040526928 410880343 /nfs/dbraw/zinc/88/03/43/410880343.db2.gz HJSCLGNKNHYGRE-UHFFFAOYSA-N 0 0 233.315 2.380 50 0 BEAARN CC(C)NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000095452814 167070283 /nfs/dbraw/zinc/07/02/83/167070283.db2.gz KZAXCDPWVPKTLY-LLVKDONJSA-N 0 0 236.319 2.055 50 0 BEAARN CC(C)NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274422 167084801 /nfs/dbraw/zinc/08/48/01/167084801.db2.gz QIFFDAFFOPQMKF-UHFFFAOYSA-N 0 0 247.319 2.400 50 0 BEAARN CC(C)NC(=O)c1cc2c(s1)N(C)CCC2 ZINC000064542946 167085244 /nfs/dbraw/zinc/08/52/44/167085244.db2.gz UDHUTIGYDBWDOC-UHFFFAOYSA-N 0 0 238.356 2.269 50 0 BEAARN CC(C)NC(=O)c1coc(Br)c1 ZINC000012981275 167090658 /nfs/dbraw/zinc/09/06/58/167090658.db2.gz LOCNLJZSASDTNP-UHFFFAOYSA-N 0 0 232.077 2.180 50 0 BEAARN CC(C)Nc1ncccc1C(=O)N1CCCC1 ZINC000089887723 167150961 /nfs/dbraw/zinc/15/09/61/167150961.db2.gz ZKNVVQAZBHMQPH-UHFFFAOYSA-N 0 0 233.315 2.138 50 0 BEAARN CC(C)OCCCNC(=O)CC1CCCC1 ZINC000084621892 167217830 /nfs/dbraw/zinc/21/78/30/167217830.db2.gz BPEVGSCDRSXDQJ-UHFFFAOYSA-N 0 0 227.348 2.498 50 0 BEAARN CC(C)OCCCNC(=O)c1ccsc1 ZINC000060781619 167220729 /nfs/dbraw/zinc/22/07/29/167220729.db2.gz JONZJBWYXROLML-UHFFFAOYSA-N 0 0 227.329 2.293 50 0 BEAARN CC(C)Oc1ccc(-c2cc(N)n[nH]2)cc1 ZINC000049538532 167287783 /nfs/dbraw/zinc/28/77/83/167287783.db2.gz XQNZHRDBYCROLP-UHFFFAOYSA-N 0 0 217.272 2.446 50 0 BEAARN CC(C)Oc1ccc(C(=O)N(C)C)cc1 ZINC000008040844 167290452 /nfs/dbraw/zinc/29/04/52/167290452.db2.gz QPYGPDMHNDKHGY-UHFFFAOYSA-N 0 0 207.273 2.176 50 0 BEAARN CC(C)Oc1ccc(C[NH2+]CCC(=O)[O-])cc1 ZINC000037252348 167294203 /nfs/dbraw/zinc/29/42/03/167294203.db2.gz ALEZYCVJLDXFCK-UHFFFAOYSA-N 0 0 237.299 2.038 50 0 BEAARN CC(C)Oc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000079193237 167304861 /nfs/dbraw/zinc/30/48/61/167304861.db2.gz YGXAFCBTEFPUKT-UHFFFAOYSA-N 0 0 244.294 2.130 50 0 biogenic BEAARN CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)OCCO2 ZINC000025975688 167378397 /nfs/dbraw/zinc/37/83/97/167378397.db2.gz CMUINWSSTLVSEG-SNVBAGLBSA-N 0 0 249.310 2.232 50 0 BEAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@H]1C[C@@H]1C ZINC000107518281 411136241 /nfs/dbraw/zinc/13/62/41/411136241.db2.gz UAAQTDBOUWOZSO-XCCSTKFXSA-N 0 0 247.338 2.271 50 0 BEAARN Cc1cccnc1NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000046974231 411097800 /nfs/dbraw/zinc/09/78/00/411097800.db2.gz NWUAMSWXXBPYIS-WDEREUQCSA-N 0 0 249.314 2.079 50 0 BEAARN C(CCO[C@@H]1CCCO1)CO[C@@H]1CCCO1 ZINC000197904538 411123741 /nfs/dbraw/zinc/12/37/41/411123741.db2.gz IUTBSRFVMUCRTN-RYUDHWBXSA-N 0 0 230.304 2.073 50 0 BEAARN O=C(OCc1cccc(F)c1F)c1cc[nH]n1 ZINC000048251984 411183579 /nfs/dbraw/zinc/18/35/79/411183579.db2.gz WLFUWLXRHYCEQL-UHFFFAOYSA-N 0 0 238.193 2.045 50 0 BEAARN Cc1noc(C)c1Cn1nnc2ccccc21 ZINC000005109937 411185147 /nfs/dbraw/zinc/18/51/47/411185147.db2.gz GSUCIRABYRFTSB-UHFFFAOYSA-N 0 0 228.255 2.084 50 0 BEAARN Cc1nc(CC(=O)N2CCC[C@@H](C)C2)cs1 ZINC000048324698 411186550 /nfs/dbraw/zinc/18/65/50/411186550.db2.gz ADMDUHQQBUKQCO-SECBINFHSA-N 0 0 238.356 2.253 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000048331672 411190052 /nfs/dbraw/zinc/19/00/52/411190052.db2.gz VZCHIDUJWUEHCE-JQWIXIFHSA-N 0 0 241.294 2.467 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)Nc1cccnc1 ZINC000048448093 411200130 /nfs/dbraw/zinc/20/01/30/411200130.db2.gz KUWVSACWAMUYNT-SNVBAGLBSA-N 0 0 245.282 2.427 50 0 BEAARN O=C(Nc1ccc2oc(=O)ccc2c1)NC1CC1 ZINC000049301120 411229720 /nfs/dbraw/zinc/22/97/20/411229720.db2.gz DRIIOCCPRATPNS-UHFFFAOYSA-N 0 0 244.250 2.077 50 0 BEAARN O=C(Nc1ncccc1O)[C@H]1C[C@@H]1c1ccco1 ZINC000049398357 411232773 /nfs/dbraw/zinc/23/27/73/411232773.db2.gz FLKUXOREDIJGHN-IUCAKERBSA-N 0 0 244.250 2.122 50 0 BEAARN CCc1nc(SCCOC(C)(C)C)n[nH]1 ZINC000049517196 411239803 /nfs/dbraw/zinc/23/98/03/411239803.db2.gz LNXWUQUIRFPENQ-UHFFFAOYSA-N 0 0 229.349 2.274 50 0 BEAARN CC1(C)C(CNC(=O)Cc2ccncc2)C1(C)C ZINC000280408820 167879201 /nfs/dbraw/zinc/87/92/01/167879201.db2.gz FQJGWJKWYSBBSR-UHFFFAOYSA-N 0 0 246.354 2.423 50 0 BEAARN Cc1ccc(C(=O)N(C)Cc2cc(C)on2)o1 ZINC000040087881 411326306 /nfs/dbraw/zinc/32/63/06/411326306.db2.gz IMRINWMHQNIMEI-UHFFFAOYSA-N 0 0 234.255 2.157 50 0 BEAARN CC1(C)C[C@H](NC(=O)c2ccncc2)C(C)(C)O1 ZINC000097046820 167992296 /nfs/dbraw/zinc/99/22/96/167992296.db2.gz KHKKWQOFTZWGBE-NSHDSACASA-N 0 0 248.326 2.158 50 0 BEAARN CC1(C)[C@@H](O)C[C@@H]1OCc1ccccc1 ZINC000085508333 168001876 /nfs/dbraw/zinc/00/18/76/168001876.db2.gz BJKWKWODHKPZTO-RYUDHWBXSA-N 0 0 206.285 2.363 50 0 BEAARN CC1(C)[C@H](Nc2nc(C3CC3)no2)[C@@H]2CCO[C@@H]21 ZINC000089917629 168014539 /nfs/dbraw/zinc/01/45/39/168014539.db2.gz OMPZXOQPZZIHMZ-AEJSXWLSSA-N 0 0 249.314 2.172 50 0 BEAARN CC1(O)CCN(C(=O)OCc2ccccc2)CC1 ZINC000026898729 168067329 /nfs/dbraw/zinc/06/73/29/168067329.db2.gz JTYZJURNGHJWKI-UHFFFAOYSA-N 0 0 249.310 2.170 50 0 BEAARN CC1=C(C)[C@H](O)N(CCC2=CCCCC2)C1=O ZINC000009667612 168086646 /nfs/dbraw/zinc/08/66/46/168086646.db2.gz RHBNJMMVAUEMKR-ZDUSSCGKSA-N 0 0 235.327 2.374 50 0 BEAARN CC1=NO[C@@](C)(CNC(=O)c2cccc(C)c2)C1 ZINC000064555640 168136509 /nfs/dbraw/zinc/13/65/09/168136509.db2.gz WYCJXSAOGADDEX-CQSZACIVSA-N 0 0 246.310 2.280 50 0 BEAARN CC1=NO[C@H](CNC(=O)Nc2cccc(C)c2)C1 ZINC000064556012 168136554 /nfs/dbraw/zinc/13/65/54/168136554.db2.gz UWZAQJMEHHRTGS-LBPRGKRZSA-N 0 0 247.298 2.281 50 0 BEAARN CC1=NO[C@@H](CNC(=O)Nc2ccccc2C)C1 ZINC000064555990 168137023 /nfs/dbraw/zinc/13/70/23/168137023.db2.gz FOPWBLKKMMTFNG-LLVKDONJSA-N 0 0 247.298 2.281 50 0 BEAARN C[C@H](C(=O)N(C)C1CCC(C)CC1)n1cccn1 ZINC000040496978 168158856 /nfs/dbraw/zinc/15/88/56/168158856.db2.gz OXKWASQCJJSRRH-OTTFEQOBSA-N 0 0 249.358 2.481 50 0 BEAARN C[C@@H](C(=O)NC1CCC(C)CC1)n1cccn1 ZINC000028276291 168160861 /nfs/dbraw/zinc/16/08/61/168160861.db2.gz NBWOEFAJBGJGFQ-CXQJBGSLSA-N 0 0 235.331 2.139 50 0 BEAARN CC1CCC(NC(=O)c2cccn2C)CC1 ZINC000032668066 168163451 /nfs/dbraw/zinc/16/34/51/168163451.db2.gz ATUVXHWHDWZCHS-UHFFFAOYSA-N 0 0 220.316 2.334 50 0 BEAARN CC1CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000046082608 168171948 /nfs/dbraw/zinc/17/19/48/168171948.db2.gz HZKBCRWTVPZMKN-UHFFFAOYSA-N 0 0 246.354 2.381 50 0 BEAARN CC1CCN(C(=O)c2cccc(N)c2)CC1 ZINC000007468608 168175964 /nfs/dbraw/zinc/17/59/64/168175964.db2.gz BOTHVSLHODTKES-UHFFFAOYSA-N 0 0 218.300 2.141 50 0 BEAARN CCC(=O)N(c1nnc(SC)s1)C1CC1 ZINC000012972727 168215823 /nfs/dbraw/zinc/21/58/23/168215823.db2.gz YEIGPZQPHQLKPH-UHFFFAOYSA-N 0 0 243.357 2.165 50 0 BEAARN CCC(=O)N1CCC[C@@H]1c1cccn1C ZINC000040473072 168218886 /nfs/dbraw/zinc/21/88/86/168218886.db2.gz DZPCKDYNQGWKCN-LLVKDONJSA-N 0 0 206.289 2.099 50 0 BEAARN CCC(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000000084298 168226490 /nfs/dbraw/zinc/22/64/90/168226490.db2.gz UNCFPZOPFPIYJP-VIFPVBQESA-N 0 0 232.283 2.018 50 0 BEAARN CCC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000000084293 168226604 /nfs/dbraw/zinc/22/66/04/168226604.db2.gz UNCFPZOPFPIYJP-SECBINFHSA-N 0 0 232.283 2.018 50 0 BEAARN CCC(=O)NCCc1ccccc1OC(F)F ZINC000188712870 168229838 /nfs/dbraw/zinc/22/98/38/168229838.db2.gz MMFDVBNVRUEYHN-UHFFFAOYSA-N 0 0 243.253 2.357 50 0 BEAARN CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2 ZINC000004392649 168231303 /nfs/dbraw/zinc/23/13/03/168231303.db2.gz PTOIAAWZLUQTIO-GXFFZTMASA-N 0 0 245.322 2.251 50 0 fda BEAARN CCC(=O)NC[C@@H](OC)c1ccccc1C ZINC000096104897 168231551 /nfs/dbraw/zinc/23/15/51/168231551.db2.gz QLHUNDJOZXFZIX-GFCCVEGCSA-N 0 0 221.300 2.209 50 0 BEAARN CCC(=O)NCc1c[nH]c2ccccc12 ZINC000035993956 168232835 /nfs/dbraw/zinc/23/28/35/168232835.db2.gz TVDFPPFHJQKLHY-UHFFFAOYSA-N 0 0 202.257 2.194 50 0 BEAARN CCC(=O)N[C@@H](C)COc1ccccc1C ZINC000055693229 168234415 /nfs/dbraw/zinc/23/44/15/168234415.db2.gz GFFCBVZPGXQGND-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN CCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1 ZINC000058109899 168236518 /nfs/dbraw/zinc/23/65/18/168236518.db2.gz BSFNLPBTWAKWNO-NSHDSACASA-N 0 0 234.343 2.210 50 0 BEAARN CCC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000000356909 168236736 /nfs/dbraw/zinc/23/67/36/168236736.db2.gz DYPLRCDALBMINT-VIFPVBQESA-N 0 0 207.273 2.282 50 0 BEAARN CCC(=O)Nc1c2ccccc2oc1C(=O)NC ZINC000064552385 168241988 /nfs/dbraw/zinc/24/19/88/168241988.db2.gz XAFJKNLCLUURQZ-UHFFFAOYSA-N 0 0 246.266 2.141 50 0 BEAARN CCC(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000065362591 168244538 /nfs/dbraw/zinc/24/45/38/168244538.db2.gz OMWGIGAIWQFMOX-UHFFFAOYSA-N 0 0 210.252 2.240 50 0 BEAARN CCC(=O)Nc1cnc(OC)c(C(F)(F)F)c1 ZINC000000078117 168247096 /nfs/dbraw/zinc/24/70/96/168247096.db2.gz ICYVVGFIEUSRQT-UHFFFAOYSA-N 0 0 248.204 2.458 50 0 BEAARN CCC(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000011917212 168247985 /nfs/dbraw/zinc/24/79/85/168247985.db2.gz CJGBICUAMTXNIG-ZETCQYMHSA-N 0 0 208.261 2.148 50 0 BEAARN CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000000129507 168251479 /nfs/dbraw/zinc/25/14/79/168251479.db2.gz IOKUIFTUULBXMB-UHFFFAOYSA-N 0 0 232.235 2.417 50 0 biogenic BEAARN CCC(C)(C)C(=O)NCc1cccnc1 ZINC000000030622 168267070 /nfs/dbraw/zinc/26/70/70/168267070.db2.gz MWBHIEUNCLJUQU-UHFFFAOYSA-N 0 0 206.289 2.134 50 0 BEAARN CCC(C)(C)C(=O)Nc1ccccc1C(N)=O ZINC000002735149 168269349 /nfs/dbraw/zinc/26/93/49/168269349.db2.gz YCZCNNGPYFNNAZ-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN CCC(C)(C)C1CCC2(CC1)NC(=O)NC2=O ZINC000004218978 168269989 /nfs/dbraw/zinc/26/99/89/168269989.db2.gz PTMDUDZKTQCJTN-UHFFFAOYSA-N 0 0 238.331 2.191 50 0 BEAARN CCC(C)(C)NC(=O)Nc1cc(C)on1 ZINC000072318881 168294344 /nfs/dbraw/zinc/29/43/44/168294344.db2.gz WFMDSMBIVXWFNX-UHFFFAOYSA-N 0 0 211.265 2.293 50 0 BEAARN CCC(C)(C)NC(=O)c1scnc1C ZINC000046753365 168297839 /nfs/dbraw/zinc/29/78/39/168297839.db2.gz MOCGCIZQGHIFKD-UHFFFAOYSA-N 0 0 212.318 2.370 50 0 BEAARN CCC(C)(C)NS(=O)(=O)c1ccc(C)cc1 ZINC000000371922 168298998 /nfs/dbraw/zinc/29/89/98/168298998.db2.gz BMCQJMBGODPURZ-UHFFFAOYSA-N 0 0 241.356 2.462 50 0 BEAARN CCN1C(=S)S[C@@H]2N=C(C)S[C@H]21 ZINC000003121931 169949580 /nfs/dbraw/zinc/94/95/80/169949580.db2.gz VTYKDLHVCGDXJY-NTSWFWBYSA-N 0 0 218.372 2.157 50 0 BEAARN CC[N@@H+]1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072143255 170016043 /nfs/dbraw/zinc/01/60/43/170016043.db2.gz MNMYMBNZVFMCOL-GFCCVEGCSA-N 0 0 233.311 2.269 50 0 BEAARN CCNC(=O)/C=C\c1nc2ccccc2s1 ZINC000212756904 170042545 /nfs/dbraw/zinc/04/25/45/170042545.db2.gz YNDFJKAEWVUROA-FPLPWBNLSA-N 0 0 232.308 2.446 50 0 BEAARN CCNC(=O)CCc1nc2ccccc2s1 ZINC000014129637 170054089 /nfs/dbraw/zinc/05/40/89/170054089.db2.gz ABWPTUUUOOVFQH-UHFFFAOYSA-N 0 0 234.324 2.365 50 0 BEAARN CCNC(=O)Cc1ccccc1Br ZINC000038537505 170070850 /nfs/dbraw/zinc/07/08/50/170070850.db2.gz HYTTXEGJFDEPEQ-UHFFFAOYSA-N 0 0 242.116 2.128 50 0 BEAARN CCNC(=O)N1CCCC[C@H](SCC)C1 ZINC000071899722 170073262 /nfs/dbraw/zinc/07/32/62/170073262.db2.gz YRHFEQWKGICFIO-JTQLQIEISA-N 0 0 230.377 2.324 50 0 BEAARN CCNC(=O)[C@@H](C)Sc1ccccc1 ZINC000000443611 170089830 /nfs/dbraw/zinc/08/98/30/170089830.db2.gz CKTULYXYWWQWEU-SECBINFHSA-N 0 0 209.314 2.303 50 0 BEAARN CCNC(=O)[C@@H](C)SCc1ccccc1 ZINC000000449983 170090256 /nfs/dbraw/zinc/09/02/56/170090256.db2.gz VWONAWULNYVNJA-SNVBAGLBSA-N 0 0 223.341 2.444 50 0 BEAARN CCNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000044901590 170096378 /nfs/dbraw/zinc/09/63/78/170096378.db2.gz SAVWQVQKLHEEEL-NSHDSACASA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000006046657 170096674 /nfs/dbraw/zinc/09/66/74/170096674.db2.gz DBPBUDMUJMELDS-QMMMGPOBSA-N 0 0 227.691 2.243 50 0 BEAARN CCNC(=O)[C@H](C)Oc1ccccc1CC ZINC000038753186 170097068 /nfs/dbraw/zinc/09/70/68/170097068.db2.gz LCAQNYCLQVOSJK-JTQLQIEISA-N 0 0 221.300 2.152 50 0 BEAARN CCNC(=O)c1cc2ccccc2cc1O ZINC000001669758 170101307 /nfs/dbraw/zinc/10/13/07/170101307.db2.gz AWLIVDSCPPTBKR-UHFFFAOYSA-N 0 0 215.252 2.295 50 0 BEAARN CCNC(=O)c1ccc(OC(F)F)cc1 ZINC000033026387 170102888 /nfs/dbraw/zinc/10/28/88/170102888.db2.gz WXPPBYHDYWLPBV-UHFFFAOYSA-N 0 0 215.199 2.038 50 0 BEAARN CCNC(=O)c1cccnc1SC(C)C ZINC000058162245 170104670 /nfs/dbraw/zinc/10/46/70/170104670.db2.gz QHWFRKUVSWOOFE-UHFFFAOYSA-N 0 0 224.329 2.332 50 0 BEAARN CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 ZINC000000612682 170105308 /nfs/dbraw/zinc/10/53/08/170105308.db2.gz AIOHQVRYRUWFNJ-UHFFFAOYSA-N 0 0 249.310 2.493 50 0 BEAARN CCNS(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000013938537 170136734 /nfs/dbraw/zinc/13/67/34/170136734.db2.gz ZDBODMBZWQHRPG-SNVBAGLBSA-N 0 0 241.356 2.498 50 0 BEAARN CCNc1cc(Br)ccc1N ZINC000083730650 170171476 /nfs/dbraw/zinc/17/14/76/170171476.db2.gz DHIZLNPSALVZBY-UHFFFAOYSA-N 0 0 215.094 2.463 50 0 BEAARN CCNc1nnc(-c2cccnc2)s1 ZINC000004992738 170179175 /nfs/dbraw/zinc/17/91/75/170179175.db2.gz QONJAEJWWUUAQE-UHFFFAOYSA-N 0 0 206.274 2.032 50 0 BEAARN CCOC(=N)C[C@@H](O)C(Cl)(Cl)Cl ZINC000101016136 170180158 /nfs/dbraw/zinc/18/01/58/170180158.db2.gz JLGVRDFXCYRNGZ-SCSAIBSYSA-N 0 0 234.510 2.121 50 0 BEAARN CCOC(=O)/C=C/c1cccnc1Cl ZINC000002547600 170183196 /nfs/dbraw/zinc/18/31/96/170183196.db2.gz AXJQCHYUAHBXAK-AATRIKPKSA-N 0 0 211.648 2.311 50 0 BEAARN CCOC(=O)C(=O)c1ccccc1Cl ZINC000035855177 170184841 /nfs/dbraw/zinc/18/48/41/170184841.db2.gz SARLYWYQFMPGNB-UHFFFAOYSA-N 0 0 212.632 2.086 50 0 BEAARN CCOC(=O)C(C)(C)Oc1ccc(OC)cc1 ZINC000001459480 170188283 /nfs/dbraw/zinc/18/82/83/170188283.db2.gz ZQWYUWMVMXZCNA-UHFFFAOYSA-N 0 0 238.283 2.416 50 0 BEAARN CCOC(=O)CCC(F)CCC(=O)OCC ZINC000019735876 170198495 /nfs/dbraw/zinc/19/84/95/170198495.db2.gz PWWKGLGZUBWLQC-UHFFFAOYSA-N 0 0 234.267 2.011 50 0 BEAARN CCOC(=O)CCC(=O)c1ccc(F)cc1F ZINC000002378967 170198502 /nfs/dbraw/zinc/19/85/02/170198502.db2.gz BETJGRNOWLCZIM-UHFFFAOYSA-N 0 0 242.221 2.491 50 0 BEAARN CCOC(=O)CCC(=O)c1cccc(F)c1 ZINC000002378906 170198527 /nfs/dbraw/zinc/19/85/27/170198527.db2.gz WMDPIZGDPAHEAY-UHFFFAOYSA-N 0 0 224.231 2.352 50 0 BEAARN CCOC(=O)CCCCCC(=O)CC ZINC000002243665 170198906 /nfs/dbraw/zinc/19/89/06/170198906.db2.gz HXNARZJMTUBIIM-UHFFFAOYSA-N 0 0 200.278 2.479 50 0 BEAARN CCOC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000072275612 170203198 /nfs/dbraw/zinc/20/31/98/170203198.db2.gz ZFWSQVYPPZHFQI-UHFFFAOYSA-N 0 0 247.294 2.067 50 0 BEAARN CCOC(=O)CCP(=O)(OCC)OCC ZINC000001720862 170211064 /nfs/dbraw/zinc/21/10/64/170211064.db2.gz JMJWCUOIOKBVNQ-UHFFFAOYSA-N 0 0 238.220 2.206 50 0 BEAARN CCOC(=O)CCc1ccc(C(C)=O)cc1 ZINC000001670075 170211701 /nfs/dbraw/zinc/21/17/01/170211701.db2.gz ZDPAUMPYEXMEMA-UHFFFAOYSA-N 0 0 220.268 2.385 50 0 BEAARN CCOC(=O)CSc1ccc(OC)cc1 ZINC000001395723 170229768 /nfs/dbraw/zinc/22/97/68/170229768.db2.gz MFDBJTGAQFVAEB-UHFFFAOYSA-N 0 0 226.297 2.350 50 0 BEAARN CCOC(=O)CSc1ncnc2ccccc21 ZINC000001692342 170230486 /nfs/dbraw/zinc/23/04/86/170230486.db2.gz LWXIOCGQLMXLRU-UHFFFAOYSA-N 0 0 248.307 2.285 50 0 BEAARN CCOC(=O)Cc1[nH]c2ccccc2c1C=O ZINC000020028371 170234563 /nfs/dbraw/zinc/23/45/63/170234563.db2.gz VHRFJTDQOOXWDC-UHFFFAOYSA-N 0 0 231.251 2.086 50 0 BEAARN CCOC(=O)Cc1ccc(F)cc1F ZINC000034484792 170234934 /nfs/dbraw/zinc/23/49/34/170234934.db2.gz BVGMVGKUWOWKIV-UHFFFAOYSA-N 0 0 200.184 2.070 50 0 BEAARN CCOC(=O)Cc1cc(F)cc(OC)c1F ZINC000259986365 170234965 /nfs/dbraw/zinc/23/49/65/170234965.db2.gz ICZXASWUSVFMSD-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1cc(F)c(C)cc1F ZINC000261102898 170235162 /nfs/dbraw/zinc/23/51/62/170235162.db2.gz YXFJFJLIBPXLCY-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1nccn1Cc1ccccc1 ZINC000036379606 170236800 /nfs/dbraw/zinc/23/68/00/170236800.db2.gz BOESBLDUIUDORC-UHFFFAOYSA-N 0 0 244.294 2.037 50 0 BEAARN CCOC(=O)NC(=S)Nc1ccc(F)cc1 ZINC000000071679 170241123 /nfs/dbraw/zinc/24/11/23/170241123.db2.gz KWBOKXVBZAPTMV-UHFFFAOYSA-N 0 0 242.275 2.269 50 0 BEAARN CCOC(=O)N1N=C(C)C[C@]1(O)c1ccccc1 ZINC000000053331 170241127 /nfs/dbraw/zinc/24/11/27/170241127.db2.gz CNMUPARWXWVKCR-ZDUSSCGKSA-N 0 0 248.282 2.070 50 0 BEAARN CCOC(=O)NCCc1ccc(F)cc1 ZINC000061997462 170241878 /nfs/dbraw/zinc/24/18/78/170241878.db2.gz QAYLYXUPKJCEJQ-UHFFFAOYSA-N 0 0 211.236 2.114 50 0 BEAARN CCOC(=O)Nc1ccccc1C(=O)OC ZINC000000068768 170243988 /nfs/dbraw/zinc/24/39/88/170243988.db2.gz XSEONJBZTZZGCV-UHFFFAOYSA-N 0 0 223.228 2.042 50 0 BEAARN CCOC(=O)Nc1cncc(Br)c1 ZINC000000171168 170244163 /nfs/dbraw/zinc/24/41/63/170244163.db2.gz BFWDDTLTJVTQHZ-UHFFFAOYSA-N 0 0 245.076 2.413 50 0 BEAARN CCOC(=O)Oc1nc2ccccc2cc1N ZINC000085224572 170244590 /nfs/dbraw/zinc/24/45/90/170244590.db2.gz QSBIFKBZCKRHAH-UHFFFAOYSA-N 0 0 232.239 2.352 50 0 BEAARN CCOC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1 ZINC000071908356 170248001 /nfs/dbraw/zinc/24/80/01/170248001.db2.gz XMQRCXFGLOXKLJ-MRVPVSSYSA-N 0 0 248.282 2.500 50 0 BEAARN CCOC(=O)[C@@H](N)CCC1CCCCC1 ZINC000000336569 170252514 /nfs/dbraw/zinc/25/25/14/170252514.db2.gz PSCLUEJVKGLUSF-NSHDSACASA-N 0 0 213.321 2.237 50 0 BEAARN CCOC(=O)[C@@H](Cc1ccccc1F)C(C)=O ZINC000004255876 170253088 /nfs/dbraw/zinc/25/30/88/170253088.db2.gz FYIXPASNYHVDHS-NSHDSACASA-N 0 0 238.258 2.137 50 0 BEAARN CCOC(=O)[C@@H](Cc1cccc(C)c1)C(C)=O ZINC000041262513 170253135 /nfs/dbraw/zinc/25/31/35/170253135.db2.gz XRXWHJPXZMGDDJ-ZDUSSCGKSA-N 0 0 234.295 2.306 50 0 BEAARN CCOC(=O)[C@@H](N)Cc1cccc2ccccc21 ZINC000033615154 170254182 /nfs/dbraw/zinc/25/41/82/170254182.db2.gz GPRJPDYNXGVBNC-AWEZNQCLSA-N 0 0 243.306 2.273 50 0 BEAARN CCOC(=O)[C@@H](N)c1cccc2ccccc21 ZINC000037514901 170254871 /nfs/dbraw/zinc/25/48/71/170254871.db2.gz JUADKWTZIPWOLO-ZDUSSCGKSA-N 0 0 229.279 2.403 50 0 biogenic BEAARN CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC000035630209 170257860 /nfs/dbraw/zinc/25/78/60/170257860.db2.gz DOYDSCPXUVCTPG-STQMWFEESA-N 0 0 233.311 2.433 50 0 BEAARN CCOC(=O)[C@@H]1CCc2sc(C)nc21 ZINC000095919680 170259175 /nfs/dbraw/zinc/25/91/75/170259175.db2.gz QHNVVPXKGDMSNM-SSDOTTSWSA-N 0 0 211.286 2.044 50 0 BEAARN CCOC(=O)[C@@](O)(CC)CCC(C)C ZINC000002159858 170262243 /nfs/dbraw/zinc/26/22/43/170262243.db2.gz AMNKKYLKEPTSGP-LLVKDONJSA-N 0 0 202.294 2.127 50 0 BEAARN CCOC(=O)[C@H](N)CCC1CCCCC1 ZINC000002384215 170273918 /nfs/dbraw/zinc/27/39/18/170273918.db2.gz PSCLUEJVKGLUSF-LLVKDONJSA-N 0 0 213.321 2.237 50 0 BEAARN CCOC(=O)[C@H](c1ccccc1)n1cccn1 ZINC000001384559 170279150 /nfs/dbraw/zinc/27/91/50/170279150.db2.gz GCASTZGICBYQGT-LBPRGKRZSA-N 0 0 230.267 2.036 50 0 BEAARN CCOC(=O)[C@H]1CCCO[C@@H]1C(C)C ZINC000098095756 170280913 /nfs/dbraw/zinc/28/09/13/170280913.db2.gz WVYBVCQXRFKMOW-VHSXEESVSA-N 0 0 200.278 2.001 50 0 BEAARN CCOC(=O)[C@H]1CCc2nc(Cl)sc2C1 ZINC000096029265 170282154 /nfs/dbraw/zinc/28/21/54/170282154.db2.gz DRHJCGYWKNJZPL-LURJTMIESA-N 0 0 245.731 2.465 50 0 BEAARN CCOC(=O)[C@H]1CS[C@@H](c2ccsc2)N1 ZINC000098072893 170282350 /nfs/dbraw/zinc/28/23/50/170282350.db2.gz LRDCRUIGTYLONY-BDAKNGLRSA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)C1=NNC[C@@H]1c1ccc(OC)cc1 ZINC000085389855 170282695 /nfs/dbraw/zinc/28/26/95/170282695.db2.gz TWEQXAIFXJNBKL-NEPJUHHUSA-N 0 0 248.282 2.176 50 0 BEAARN CCOC(=O)[C@]1(C)CNc2ccccc2C1 ZINC000026422599 170285686 /nfs/dbraw/zinc/28/56/86/170285686.db2.gz CBGPRWHIGZYREM-ZDUSSCGKSA-N 0 0 219.284 2.224 50 0 BEAARN CCOC(=O)[C@](F)(Cl)C(F)(F)F ZINC000014611422 170286237 /nfs/dbraw/zinc/28/62/37/170286237.db2.gz VWBGBOFQVNQGIT-SCSAIBSYSA-N 0 0 208.538 2.016 50 0 BEAARN CCOC(=O)c1c(C)nc2cc(Cl)ccn21 ZINC000096028538 170288024 /nfs/dbraw/zinc/28/80/24/170288024.db2.gz MYPGLDGWMWXYAA-UHFFFAOYSA-N 0 0 238.674 2.473 50 0 BEAARN CCOC(=O)c1c(C)nc2cccc(C)n21 ZINC000016125238 170288180 /nfs/dbraw/zinc/28/81/80/170288180.db2.gz LNDVLHZORNVGPO-UHFFFAOYSA-N 0 0 218.256 2.128 50 0 BEAARN CCOC(=O)c1c(C)nc(SC)nc1Cl ZINC000066351491 170288310 /nfs/dbraw/zinc/28/83/10/170288310.db2.gz IVZWCVGIENDCRO-UHFFFAOYSA-N 0 0 246.719 2.337 50 0 BEAARN CCOC(=O)c1c(C)c(N)c(Cl)nc1Cl ZINC000000053029 170288504 /nfs/dbraw/zinc/28/85/04/170288504.db2.gz XBAXWNCZIKMNBZ-UHFFFAOYSA-N 0 0 249.097 2.456 50 0 BEAARN CCOC(=O)c1cc(Br)c(C)[nH]1 ZINC000095346850 170290794 /nfs/dbraw/zinc/29/07/94/170290794.db2.gz YMURTTOTBOWAQV-UHFFFAOYSA-N 0 0 232.077 2.262 50 0 BEAARN CCOC(=O)c1cc(C(=O)c2ccccc2)on1 ZINC000012410806 170290903 /nfs/dbraw/zinc/29/09/03/170290903.db2.gz GBGMRACAYBETBI-UHFFFAOYSA-N 0 0 245.234 2.082 50 0 BEAARN CCOC(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000008700510 170291117 /nfs/dbraw/zinc/29/11/17/170291117.db2.gz VBAFPHAPTHNKIO-UHFFFAOYSA-N 0 0 246.266 2.262 50 0 BEAARN CCOC(=O)c1cc(C)nc2onc(C)c21 ZINC000036379435 170291605 /nfs/dbraw/zinc/29/16/05/170291605.db2.gz ACYFRKRSUQADCD-UHFFFAOYSA-N 0 0 220.228 2.016 50 0 BEAARN CCOC(=O)c1cc2ccc(Cl)cc2nn1 ZINC000066054664 170294202 /nfs/dbraw/zinc/29/42/02/170294202.db2.gz PHDNOFTVHXOAJB-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1ccc(-n2cccn2)cc1 ZINC000000613646 170294378 /nfs/dbraw/zinc/29/43/78/170294378.db2.gz OJGQSNIJSFGVJG-UHFFFAOYSA-N 0 0 216.240 2.049 50 0 BEAARN CCOC(=O)c1ccc(Br)c(O)c1 ZINC000038874404 170294481 /nfs/dbraw/zinc/29/44/81/170294481.db2.gz HHPLZHCMBRSFQW-UHFFFAOYSA-N 0 0 245.072 2.331 50 0 BEAARN CCOC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000040174013 170294744 /nfs/dbraw/zinc/29/47/44/170294744.db2.gz QIAFBOHCJJVACI-UHFFFAOYSA-N 0 0 243.262 2.219 50 0 BEAARN CCOC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000000351267 170296311 /nfs/dbraw/zinc/29/63/11/170296311.db2.gz HBSXAZOKTSWTPA-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 BEAARN CCOC(=O)c1ccc(F)c(F)c1F ZINC000016159435 170296349 /nfs/dbraw/zinc/29/63/49/170296349.db2.gz MLANUBGYWOMWLZ-UHFFFAOYSA-N 0 0 204.147 2.281 50 0 BEAARN CCOC(=O)c1ccc(OCC)c(OC)c1 ZINC000044200303 170296710 /nfs/dbraw/zinc/29/67/10/170296710.db2.gz ONAWEDBUJZYTQQ-UHFFFAOYSA-N 0 0 224.256 2.271 50 0 BEAARN CCOC(=O)c1ccc(O)c(CC)c1C ZINC000033639070 170296734 /nfs/dbraw/zinc/29/67/34/170296734.db2.gz VRFGYUJCWQTRBE-UHFFFAOYSA-N 0 0 208.257 2.440 50 0 BEAARN CCOC(=O)c1cccc(C(F)(F)F)n1 ZINC000039325992 170298855 /nfs/dbraw/zinc/29/88/55/170298855.db2.gz YGQOXSZLOJDQBR-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1cn(Cc2ccccc2)nc1C ZINC000263623114 170300657 /nfs/dbraw/zinc/30/06/57/170300657.db2.gz DTRYAIAKHPJJTM-UHFFFAOYSA-N 0 0 244.294 2.417 50 0 BEAARN CCOC(=O)c1cn2cccc(Cl)c2n1 ZINC000082695342 170300892 /nfs/dbraw/zinc/30/08/92/170300892.db2.gz MLQUBAHHPYDSQO-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1cnc(Cl)cc1OCC ZINC000014982386 170301578 /nfs/dbraw/zinc/30/15/78/170301578.db2.gz NLJBDVLNDXIFIZ-UHFFFAOYSA-N 0 0 229.663 2.310 50 0 BEAARN CCOC(=O)c1cnc2cc(OC)ccc2c1N ZINC000053994638 170302294 /nfs/dbraw/zinc/30/22/94/170302294.db2.gz ZBMOGYNJVAQNMS-UHFFFAOYSA-N 0 0 246.266 2.002 50 0 biogenic BEAARN CCOC(=O)c1cnn(C)c1-c1ccccc1 ZINC000036467766 170303909 /nfs/dbraw/zinc/30/39/09/170303909.db2.gz BQHQFYSVCNWZJH-UHFFFAOYSA-N 0 0 230.267 2.264 50 0 BEAARN CCOC(=O)c1nc2ccccc2nc1C ZINC000000366756 170307911 /nfs/dbraw/zinc/30/79/11/170307911.db2.gz IRZHLIWGVQPMHU-UHFFFAOYSA-N 0 0 216.240 2.115 50 0 BEAARN CCOC(=O)c1nc(SC)ncc1Cl ZINC000012505304 170308175 /nfs/dbraw/zinc/30/81/75/170308175.db2.gz GEBQIOZQHUMABX-UHFFFAOYSA-N 0 0 232.692 2.029 50 0 BEAARN CCOC(=O)c1nnsc1Nc1ccccc1 ZINC000001417061 170310197 /nfs/dbraw/zinc/31/01/97/170310197.db2.gz ZVDRTZFPDVVNHO-UHFFFAOYSA-N 0 0 249.295 2.458 50 0 BEAARN CCOC(OCC)C(C)C(OCC)OCC ZINC000005650707 170315993 /nfs/dbraw/zinc/31/59/93/170315993.db2.gz XTYLJMKJLMHFJK-UHFFFAOYSA-N 0 0 234.336 2.421 50 0 BEAARN CCOC(OCC)[C@@H]1CCCO[C@H]1OCC ZINC000001597857 170316121 /nfs/dbraw/zinc/31/61/21/170316121.db2.gz JYXYXACQZPSPRH-CMPLNLGQSA-N 0 0 232.320 2.175 50 0 BEAARN CCOC(OCC)[C@H]1CCCO[C@@H]1OCC ZINC000001597856 170316125 /nfs/dbraw/zinc/31/61/25/170316125.db2.gz JYXYXACQZPSPRH-PWSUYJOCSA-N 0 0 232.320 2.175 50 0 BEAARN CCOCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000006758525 170346013 /nfs/dbraw/zinc/34/60/13/170346013.db2.gz YFCYHEUJZAFKNV-LBPRGKRZSA-N 0 0 235.327 2.160 50 0 BEAARN CCOCC(=O)Nc1ccc(C)c(C)c1 ZINC000002069472 170348060 /nfs/dbraw/zinc/34/80/60/170348060.db2.gz RGVIYNOYJFZGDU-UHFFFAOYSA-N 0 0 207.273 2.278 50 0 BEAARN CCOCCC(=O)N1CCCC[C@H]1CC ZINC000004825782 170358800 /nfs/dbraw/zinc/35/88/00/170358800.db2.gz WKKFGJOWOJVDQI-LLVKDONJSA-N 0 0 213.321 2.204 50 0 BEAARN CCOCCC(=O)NCc1ccccc1CC ZINC000096418800 170361422 /nfs/dbraw/zinc/36/14/22/170361422.db2.gz YOSJLUQDQXGAMS-UHFFFAOYSA-N 0 0 235.327 2.292 50 0 BEAARN CCOCCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000096423517 170362354 /nfs/dbraw/zinc/36/23/54/170362354.db2.gz PVMMYHAUPJJPDX-CHWSQXEVSA-N 0 0 239.359 2.498 50 0 BEAARN CCOCCC(=O)Nc1nnc(C(C)C)s1 ZINC000004815743 170363959 /nfs/dbraw/zinc/36/39/59/170363959.db2.gz JEEZNLCTYPIPET-UHFFFAOYSA-N 0 0 243.332 2.027 50 0 BEAARN CCOCCCC(=O)Nc1cccc2[nH]cnc21 ZINC000096411798 170366520 /nfs/dbraw/zinc/36/65/20/170366520.db2.gz NZOUWCXQVZJSID-UHFFFAOYSA-N 0 0 247.298 2.318 50 0 BEAARN CCOCCCNC(=O)c1ccc(C)c(C)c1 ZINC000002805271 170379523 /nfs/dbraw/zinc/37/95/23/170379523.db2.gz KHYQPSFYFNRWEX-UHFFFAOYSA-N 0 0 235.327 2.460 50 0 BEAARN CCOCCCNC(=O)c1cccc(C)c1 ZINC000002805315 170379993 /nfs/dbraw/zinc/37/99/93/170379993.db2.gz WAIIKMBDBSBJPN-UHFFFAOYSA-N 0 0 221.300 2.151 50 0 BEAARN CCOC[C@@H](O)COc1cccc2cccnc21 ZINC000193819833 170439707 /nfs/dbraw/zinc/43/97/07/170439707.db2.gz SCTHIIZPPSMPGM-GFCCVEGCSA-N 0 0 247.294 2.011 50 0 BEAARN CCONC(=O)c1ccc(Cl)cc1F ZINC000032848362 170468719 /nfs/dbraw/zinc/46/87/19/170468719.db2.gz LZZUDLINQAOSGI-UHFFFAOYSA-N 0 0 217.627 2.160 50 0 BEAARN CCONC(=O)c1ccc(F)cc1Cl ZINC000032903574 170468720 /nfs/dbraw/zinc/46/87/20/170468720.db2.gz LALLTWQKNLQPRS-UHFFFAOYSA-N 0 0 217.627 2.160 50 0 BEAARN CCOc1ccc(Br)cc1CO ZINC000020363190 170535859 /nfs/dbraw/zinc/53/58/59/170535859.db2.gz RXDFHFNUPUWTRV-UHFFFAOYSA-N 0 0 231.089 2.340 50 0 BEAARN CCOc1ccc(C=O)cc1Cn1cccn1 ZINC000013424676 170540641 /nfs/dbraw/zinc/54/06/41/170540641.db2.gz MQPRPDTZJJMUMT-UHFFFAOYSA-N 0 0 230.267 2.143 50 0 BEAARN CCOc1cccc(COC(=O)c2ccco2)n1 ZINC000096472976 170580296 /nfs/dbraw/zinc/58/02/96/170580296.db2.gz SVUVCMLRVJUVOZ-UHFFFAOYSA-N 0 0 247.250 2.430 50 0 BEAARN CCOc1cccc(NC(=O)c2cc(C)on2)n1 ZINC000096445107 170581711 /nfs/dbraw/zinc/58/17/11/170581711.db2.gz QLEJTBCMNWOVDG-UHFFFAOYSA-N 0 0 247.254 2.029 50 0 BEAARN CCOc1ccccc1OCC(=O)N1CCCC1 ZINC000047078197 170596856 /nfs/dbraw/zinc/59/68/56/170596856.db2.gz KGMTUKYDZNLLHA-UHFFFAOYSA-N 0 0 249.310 2.087 50 0 BEAARN CCS(=O)(=O)Nc1cccc(Cl)c1C ZINC000006048793 170620796 /nfs/dbraw/zinc/62/07/96/170620796.db2.gz USOFKBFCQZUQAI-UHFFFAOYSA-N 0 0 233.720 2.410 50 0 BEAARN CCSc1nc2ccsc2c(=O)n1C ZINC000026098780 170657859 /nfs/dbraw/zinc/65/78/59/170657859.db2.gz BXFOYFNGKIUSNI-UHFFFAOYSA-N 0 0 226.326 2.107 50 0 BEAARN CCSc1nncn1Cc1ccco1 ZINC000058635030 170658656 /nfs/dbraw/zinc/65/86/56/170658656.db2.gz ZPPCPMUBSIVWBK-UHFFFAOYSA-N 0 0 209.274 2.031 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)OCCCO2 ZINC000057529487 170749056 /nfs/dbraw/zinc/74/90/56/170749056.db2.gz JKRMHVLPJAVGAR-SNVBAGLBSA-N 0 0 249.310 2.376 50 0 BEAARN CC[C@@H](COC)NC(=O)Nc1ccccc1 ZINC000000409072 170844913 /nfs/dbraw/zinc/84/49/13/170844913.db2.gz CSXZBPXGGMSHEP-JTQLQIEISA-N 0 0 222.288 2.233 50 0 BEAARN CC[C@@H](NS(=O)(=O)CC)c1ccc(C)cc1 ZINC000002771100 170906842 /nfs/dbraw/zinc/90/68/42/170906842.db2.gz CBUCMHXYFDRGKM-GFCCVEGCSA-N 0 0 241.356 2.385 50 0 BEAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)NC1CC1 ZINC000020484588 170946624 /nfs/dbraw/zinc/94/66/24/170946624.db2.gz JDRQUTVSNIOJFU-GFCCVEGCSA-N 0 0 237.274 2.262 50 0 BEAARN CC[C@H]1c2ccccc2CCN(C)C1=O ZINC000000387122 170957033 /nfs/dbraw/zinc/95/70/33/170957033.db2.gz JOYXRNAPLOGJCB-NSHDSACASA-N 0 0 203.285 2.195 50 0 BEAARN CC[C@@H]1C[C@H]1NC(=O)[C@H]1COc2ccccc21 ZINC000252587232 171139301 /nfs/dbraw/zinc/13/93/01/171139301.db2.gz WOFIRLDXWZDIPP-ADEWGFFLSA-N 0 0 231.295 2.077 50 0 BEAARN CC[C@@H]1c2ccsc2CCN1C(=O)NC ZINC000040490190 171162994 /nfs/dbraw/zinc/16/29/94/171162994.db2.gz VFPBEEVFTYTURF-SECBINFHSA-N 0 0 224.329 2.397 50 0 BEAARN CC[C@@](C)(NCc1ccccc1)C(=O)OC ZINC000037952479 171176215 /nfs/dbraw/zinc/17/62/15/171176215.db2.gz VWZJRJFDEGQECF-CYBMUJFWSA-N 0 0 221.300 2.118 50 0 BEAARN CC[C@@](CNC(=O)OC)(OC)c1ccccc1 ZINC000096123676 171192381 /nfs/dbraw/zinc/19/23/81/171192381.db2.gz ZMIQNLCVRNTZHP-ZDUSSCGKSA-N 0 0 237.299 2.294 50 0 BEAARN CC[C@@]1(C)CC(=O)N(c2ccccc2)C1=O ZINC000001163527 171197377 /nfs/dbraw/zinc/19/73/77/171197377.db2.gz SGHKSYFGHLNVHE-ZDUSSCGKSA-N 0 0 217.268 2.366 50 0 BEAARN CC[C@@]1(C)CN(C(=O)Nc2ccccn2)CCO1 ZINC000191023160 171202009 /nfs/dbraw/zinc/20/20/09/171202009.db2.gz LJIXJOFTDMXCNH-ZDUSSCGKSA-N 0 0 249.314 2.114 50 0 BEAARN CC[C@@]1(c2ccc(C(C)C)cc2)NC(=O)NC1=O ZINC000041583532 171216586 /nfs/dbraw/zinc/21/65/86/171216586.db2.gz QFXJAIMMDDEZPW-AWEZNQCLSA-N 0 0 246.310 2.255 50 0 BEAARN CC[C@H](C(=O)NC1=NCCS1)c1ccccc1 ZINC000005476395 171226870 /nfs/dbraw/zinc/22/68/70/171226870.db2.gz DYBQJKFWWGUNIF-NSHDSACASA-N 0 0 248.351 2.399 50 0 BEAARN CC[C@H](C)C(=O)NCCc1ccsc1 ZINC000040509494 171251011 /nfs/dbraw/zinc/25/10/11/171251011.db2.gz OAFYNBJAMVEYGJ-VIFPVBQESA-N 0 0 211.330 2.453 50 0 BEAARN CC[C@H](C)C(=O)NCc1nc(C)cs1 ZINC000048354040 171252194 /nfs/dbraw/zinc/25/21/94/171252194.db2.gz SQBVNZCZKGWOEG-ZETCQYMHSA-N 0 0 212.318 2.114 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000031257109 171256000 /nfs/dbraw/zinc/25/60/00/171256000.db2.gz JABPLQKEBIBPDY-ZETCQYMHSA-N 0 0 234.255 2.106 50 0 BEAARN CC[C@H](C)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000170052645 171256715 /nfs/dbraw/zinc/25/67/15/171256715.db2.gz BASXXWIRFQAPST-LURJTMIESA-N 0 0 249.236 2.424 50 0 BEAARN CC[C@H](C)C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043432831 171286811 /nfs/dbraw/zinc/28/68/11/171286811.db2.gz SMPOLFVHBCTPIZ-UWVGGRQHSA-N 0 0 201.310 2.121 50 0 BEAARN CC[C@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000478685 171321480 /nfs/dbraw/zinc/32/14/80/171321480.db2.gz TUZSOGIKSSQALH-STUBTGCMSA-N 0 0 247.294 2.343 50 0 BEAARN CC[C@H](C)NC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000035828041 171329610 /nfs/dbraw/zinc/32/96/10/171329610.db2.gz FKAUWSRENDMFMI-DCAQKATOSA-N 0 0 212.337 2.472 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(OC)c(F)c1 ZINC000032736082 171337821 /nfs/dbraw/zinc/33/78/21/171337821.db2.gz AXJARJJOWAEKRD-QMMMGPOBSA-N 0 0 225.263 2.363 50 0 BEAARN CC[C@H](C)NC(=O)c1cn2ccc(C)cc2n1 ZINC000027338241 171338108 /nfs/dbraw/zinc/33/81/08/171338108.db2.gz AZPDCLSQAYOSMM-JTQLQIEISA-N 0 0 231.299 2.171 50 0 BEAARN CC[C@H](C)NS(=O)(=O)c1ccccc1Cl ZINC000005120493 171345336 /nfs/dbraw/zinc/34/53/36/171345336.db2.gz YFPQQYRZAFEKFZ-QMMMGPOBSA-N 0 0 247.747 2.417 50 0 BEAARN CC[C@H](C)[C@@H](C)N(C(=O)c1cncn1C)C1CC1 ZINC000252492020 171361112 /nfs/dbraw/zinc/36/11/12/171361112.db2.gz MBALKFAENGLMRX-WDEREUQCSA-N 0 0 249.358 2.459 50 0 BEAARN CC(=O)CC(=O)Nc1nc2ccccc2s1 ZINC000001826806 412145014 /nfs/dbraw/zinc/14/50/14/412145014.db2.gz KRVAVIMTIIEASB-UHFFFAOYSA-N 0 0 234.280 2.214 50 0 BEAARN CC[C@H](Nc1ncccn1)c1cccnc1 ZINC000091593233 171553165 /nfs/dbraw/zinc/55/31/65/171553165.db2.gz ATPBCSPMGMZFTK-NSHDSACASA-N 0 0 214.272 2.435 50 0 BEAARN CC[C@H](Oc1ccccc1)C(=O)N1CCCC1 ZINC000000476797 171592001 /nfs/dbraw/zinc/59/20/01/171592001.db2.gz HEEWYPVSIHQSLR-ZDUSSCGKSA-N 0 0 233.311 2.466 50 0 BEAARN CC[C@H]1CCCCN1C(=O)CCn1cccn1 ZINC000069452649 171604568 /nfs/dbraw/zinc/60/45/68/171604568.db2.gz GMSYSRXESPTOEW-LBPRGKRZSA-N 0 0 235.331 2.064 50 0 BEAARN CCc1ccc(C(=O)NCCc2ccccn2)o1 ZINC000028898006 171786089 /nfs/dbraw/zinc/78/60/89/171786089.db2.gz SIFFTNLKVSHGBK-UHFFFAOYSA-N 0 0 244.294 2.210 50 0 BEAARN Cc1nnc(CNc2cc(CO)ccc2C)s1 ZINC000663282939 412410010 /nfs/dbraw/zinc/41/00/10/412410010.db2.gz GZHBQSFOYATAIP-UHFFFAOYSA-N 0 0 249.339 2.259 50 0 BEAARN CCc1ccc(CC2N=NC(=S)N2)cc1 ZINC000048508634 171816095 /nfs/dbraw/zinc/81/60/95/171816095.db2.gz AMLCNEXVRURGLP-UHFFFAOYSA-N 0 0 219.313 2.247 50 0 BEAARN CCc1cccc(NC(=O)c2cnccn2)c1 ZINC000000449872 171862705 /nfs/dbraw/zinc/86/27/05/171862705.db2.gz FGRBRLGDEFTNAS-UHFFFAOYSA-N 0 0 227.267 2.291 50 0 BEAARN CCc1ccccc1NS(=O)(=O)CC ZINC000005924415 171889236 /nfs/dbraw/zinc/88/92/36/171889236.db2.gz XCXJFHDYVCIKBU-UHFFFAOYSA-N 0 0 213.302 2.011 50 0 BEAARN CCc1ccnc(C(=O)OCc2cncs2)c1 ZINC000097101400 171904950 /nfs/dbraw/zinc/90/49/50/171904950.db2.gz KESYBZSJELFRMX-UHFFFAOYSA-N 0 0 248.307 2.458 50 0 BEAARN CCc1cnc(N(C)Cc2csc(C)n2)nc1 ZINC000095389173 171917708 /nfs/dbraw/zinc/91/77/08/171917708.db2.gz KFNYIXUYOHEVIE-UHFFFAOYSA-N 0 0 248.355 2.440 50 0 BEAARN CCc1nc(CCNC(=O)[C@H]2C[C@@H]2C)cs1 ZINC000083830278 171968513 /nfs/dbraw/zinc/96/85/13/171968513.db2.gz JLJMQNQZSFLJFT-WPRPVWTQSA-N 0 0 238.356 2.020 50 0 BEAARN CCc1nccn1CCc1nc(C(C)(C)C)no1 ZINC000032590542 172024732 /nfs/dbraw/zinc/02/47/32/172024732.db2.gz RMMOFKUECBVRQR-UHFFFAOYSA-N 0 0 248.330 2.369 50 0 BEAARN CCc1nn2c(nnc2-c2ccco2)s1 ZINC000006668738 172044965 /nfs/dbraw/zinc/04/49/65/172044965.db2.gz DHQIAFOZGKKYEG-UHFFFAOYSA-N 0 0 220.257 2.008 50 0 BEAARN CCc1nnc(CN2CCCCCC2)o1 ZINC000032863641 172049194 /nfs/dbraw/zinc/04/91/94/172049194.db2.gz XXPGESPYMKGVBU-UHFFFAOYSA-N 0 0 209.293 2.008 50 0 BEAARN CCc1nnc(CN2CCc3ccccc32)o1 ZINC000032863652 172049781 /nfs/dbraw/zinc/04/97/81/172049781.db2.gz BJMLWOQZPFDMQV-UHFFFAOYSA-N 0 0 229.283 2.195 50 0 BEAARN CCc1nnc(NC(=O)CCC(C)C)s1 ZINC000012918001 172057731 /nfs/dbraw/zinc/05/77/31/172057731.db2.gz CJSKLZQNBJTSHF-UHFFFAOYSA-N 0 0 227.333 2.475 50 0 BEAARN CCc1nnc(NC(=O)[C@H]2CC=CCC2)s1 ZINC000007347825 172059222 /nfs/dbraw/zinc/05/92/22/172059222.db2.gz NEBZAKZWRCPELQ-QMMMGPOBSA-N 0 0 237.328 2.395 50 0 BEAARN CCc1nnc(NC(=O)c2ccccc2)s1 ZINC000009088501 172059294 /nfs/dbraw/zinc/05/92/94/172059294.db2.gz KYHJEDVPYDGHQI-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN CCc1nnc2n1N=C(c1ccccc1)CS2 ZINC000000502388 172068823 /nfs/dbraw/zinc/06/88/23/172068823.db2.gz WGAJUFGAPQKOIY-UHFFFAOYSA-N 0 0 244.323 2.199 50 0 BEAARN CCc1noc(-c2ccnc(Cl)c2)n1 ZINC000022120461 172072514 /nfs/dbraw/zinc/07/25/14/172072514.db2.gz CUDXONLENQOMFY-UHFFFAOYSA-N 0 0 209.636 2.347 50 0 BEAARN CCc1noc(C)c1C(=O)Nc1cc(C)on1 ZINC000000373530 172075376 /nfs/dbraw/zinc/07/53/76/172075376.db2.gz OZMHRDLCZDDXRS-UHFFFAOYSA-N 0 0 235.243 2.094 50 0 BEAARN CCc1noc(C)c1C(=O)N[C@H](C)CC ZINC000013330497 172075931 /nfs/dbraw/zinc/07/59/31/172075931.db2.gz IJEWIJHLDUSUJD-SSDOTTSWSA-N 0 0 210.277 2.074 50 0 BEAARN CCc1oc(C(=O)[O-])cc1C[NH+]1CCCC1 ZINC000000814650 172110581 /nfs/dbraw/zinc/11/05/81/172110581.db2.gz JFBZPQRDKOIVLF-UHFFFAOYSA-N 0 0 223.272 2.136 50 0 BEAARN CCc1oc(C(=O)NCc2ncoc2C)cc1C ZINC000095450906 172111020 /nfs/dbraw/zinc/11/10/20/172111020.db2.gz KFUXEWSQCMJZCC-UHFFFAOYSA-N 0 0 248.282 2.377 50 0 BEAARN CCn1c2ccc(NC(=O)C(C)C)cc2oc1=O ZINC000046009858 172133885 /nfs/dbraw/zinc/13/38/85/172133885.db2.gz NHIPGIQNESJNEK-UHFFFAOYSA-N 0 0 248.282 2.209 50 0 BEAARN CCN1C(=S)N=NC1COc1ccccc1 ZINC000005686871 172147263 /nfs/dbraw/zinc/14/72/63/172147263.db2.gz FHRANGZSMFETLB-UHFFFAOYSA-N 0 0 235.312 2.166 50 0 BEAARN CCn1c(SC)nc2ccccc2c1=O ZINC000000114967 172147630 /nfs/dbraw/zinc/14/76/30/172147630.db2.gz VKCYNIPWAJDPCU-UHFFFAOYSA-N 0 0 220.297 2.138 50 0 BEAARN CCN1C(=S)N=NC1c1cccc(F)c1 ZINC000004736548 172148110 /nfs/dbraw/zinc/14/81/10/172148110.db2.gz OZEKQMNPQRLDHT-UHFFFAOYSA-N 0 0 223.276 2.393 50 0 BEAARN CCn1cc(-c2nnc(-c3ccncc3)o2)cn1 ZINC000002800587 172149974 /nfs/dbraw/zinc/14/99/74/172149974.db2.gz QRIODQDCZVZKJV-UHFFFAOYSA-N 0 0 241.254 2.015 50 0 BEAARN CCn1cc(CNC(=O)c2ccccc2C)cn1 ZINC000002764369 172168470 /nfs/dbraw/zinc/16/84/70/172168470.db2.gz URVBSIDYHGDKKQ-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1cc(NC(=O)Cc2cccc(F)c2)cn1 ZINC000058392332 172180091 /nfs/dbraw/zinc/18/00/91/172180091.db2.gz MFKBKHLPUMRIMR-UHFFFAOYSA-N 0 0 247.273 2.223 50 0 BEAARN CCn1ccc(CNC(=O)c2ccccc2C)n1 ZINC000002796497 172200825 /nfs/dbraw/zinc/20/08/25/172200825.db2.gz LCKCCWXUHNYRCZ-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1ccc(NC(=O)c2cccc(C)c2)n1 ZINC000064555630 172200919 /nfs/dbraw/zinc/20/09/19/172200919.db2.gz ORNRAXZQJJVLHK-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN CCn1ccc(NC(=O)Cc2ccc(F)cc2)n1 ZINC000027930084 172201002 /nfs/dbraw/zinc/20/10/02/172201002.db2.gz FKDVZNYZCMNTBZ-UHFFFAOYSA-N 0 0 247.273 2.223 50 0 BEAARN CCn1ccnc1C[C@H]1COc2ccccc2O1 ZINC000000000385 172226905 /nfs/dbraw/zinc/22/69/05/172226905.db2.gz UXABARREKCJULM-NSHDSACASA-N 0 0 244.294 2.286 50 0 in-man BEAARN CCn1ccnc1[C@H](O)c1ccc(C)cc1 ZINC000000170048 172230703 /nfs/dbraw/zinc/23/07/03/172230703.db2.gz WBDBFZLDNIDNKH-GFCCVEGCSA-N 0 0 216.284 2.293 50 0 BEAARN CCn1nc(C)c(N[C@@H]2CCO[C@@H]2C)c1C ZINC000134510686 172248243 /nfs/dbraw/zinc/24/82/43/172248243.db2.gz YTOVUHDFMVESEQ-GHMZBOCLSA-N 0 0 223.320 2.109 50 0 BEAARN CCn1nccc1CN(C)C(=O)C1CCCCC1 ZINC000028219219 172263451 /nfs/dbraw/zinc/26/34/51/172263451.db2.gz RKCLMSAITWNGKG-UHFFFAOYSA-N 0 0 249.358 2.442 50 0 BEAARN CCn1nccc1CN(C)C(=O)CC(C)(C)C ZINC000028219293 172265162 /nfs/dbraw/zinc/26/51/62/172265162.db2.gz RIOYWOGJBQGBKS-UHFFFAOYSA-N 0 0 237.347 2.298 50 0 BEAARN CCn1nccc1CNC(=O)CCC1CCCC1 ZINC000028219420 172268295 /nfs/dbraw/zinc/26/82/95/172268295.db2.gz GKYRGFAELHVGOJ-UHFFFAOYSA-N 0 0 249.358 2.490 50 0 BEAARN CN(C(=O)COc1ccccc1)C1CCCC1 ZINC000022534208 172310721 /nfs/dbraw/zinc/31/07/21/172310721.db2.gz JSOWYVXECLKEBS-UHFFFAOYSA-N 0 0 233.311 2.466 50 0 BEAARN CN(C(=O)CSc1ncc[nH]1)c1ccccc1 ZINC000079003940 172313415 /nfs/dbraw/zinc/31/34/15/172313415.db2.gz YHZIPBNSZFACDV-UHFFFAOYSA-N 0 0 247.323 2.165 50 0 BEAARN CN(C(=O)c1ccc2c(c1)CCO2)C(C)(C)C ZINC000000168955 172341692 /nfs/dbraw/zinc/34/16/92/172341692.db2.gz MQPHKOJPNZZQFE-UHFFFAOYSA-N 0 0 233.311 2.492 50 0 BEAARN CN(C)C(=O)COc1cccc2c1CCCC2 ZINC000096125650 172372949 /nfs/dbraw/zinc/37/29/49/172372949.db2.gz VNNVYUSNOKXYJI-UHFFFAOYSA-N 0 0 233.311 2.032 50 0 BEAARN CN(C)C(=O)[C@@H]1SCCc2ccccc21 ZINC000079452017 172385159 /nfs/dbraw/zinc/38/51/59/172385159.db2.gz QOSCZQIPHVIQHI-LLVKDONJSA-N 0 0 221.325 2.105 50 0 BEAARN CN(C)C(=O)c1cc(-c2ccccc2)no1 ZINC000004060172 172387797 /nfs/dbraw/zinc/38/77/97/172387797.db2.gz PSVPUWXQOFSODE-UHFFFAOYSA-N 0 0 216.240 2.043 50 0 BEAARN CN(C)C(=O)c1ccc(Br)c(F)c1 ZINC000043578889 172388179 /nfs/dbraw/zinc/38/81/79/172388179.db2.gz SQSHZRBCVHCKPX-UHFFFAOYSA-N 0 0 246.079 2.290 50 0 BEAARN CN(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047572592 172389209 /nfs/dbraw/zinc/38/92/09/172389209.db2.gz GADNSEAYXLKYEV-UHFFFAOYSA-N 0 0 247.323 2.237 50 0 BEAARN CN(C)C(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000008556143 172391628 /nfs/dbraw/zinc/39/16/28/172391628.db2.gz VYJZPBMPTFXIOS-UHFFFAOYSA-N 0 0 248.326 2.373 50 0 BEAARN CN(C)C(=O)c1csc2c1CCCC2 ZINC000012894557 172393405 /nfs/dbraw/zinc/39/34/05/172393405.db2.gz JLZXLUPFBSCPNR-UHFFFAOYSA-N 0 0 209.314 2.329 50 0 BEAARN CN(C)C(=S)NCCC1=CCCCC1 ZINC000004388997 172393689 /nfs/dbraw/zinc/39/36/89/172393689.db2.gz BSXYRMMHDQWNQS-UHFFFAOYSA-N 0 0 212.362 2.313 50 0 BEAARN CN(C)c1ccc(C(=O)NCc2ccco2)cc1 ZINC000000284880 172550692 /nfs/dbraw/zinc/55/06/92/172550692.db2.gz ADYOPGNIYVDREN-UHFFFAOYSA-N 0 0 244.294 2.276 50 0 BEAARN CN(C)c1cccc(C(=O)Nc2ccccn2)c1 ZINC000012536774 172564718 /nfs/dbraw/zinc/56/47/18/172564718.db2.gz VMEVUFVVKJTJKO-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN CN(C)c1ccccc1I ZINC000033505652 172570325 /nfs/dbraw/zinc/57/03/25/172570325.db2.gz DDQWSLFKVLTRDN-UHFFFAOYSA-N 0 0 247.079 2.357 50 0 BEAARN CN(CC(F)(F)F)C(=O)CCCn1cccc1 ZINC000096486455 172629444 /nfs/dbraw/zinc/62/94/44/172629444.db2.gz IIPYAIMPAZUDII-UHFFFAOYSA-N 0 0 248.248 2.289 50 0 BEAARN CN(CC1CCOCC1)c1ccc(N)cc1F ZINC000042783238 172662891 /nfs/dbraw/zinc/66/28/91/172662891.db2.gz PSGKMAAVAOLFSH-UHFFFAOYSA-N 0 0 238.306 2.271 50 0 BEAARN CN(C[C@H]1CCCO1)C(=O)NCc1ccccc1 ZINC000044980020 172829098 /nfs/dbraw/zinc/82/90/98/172829098.db2.gz NUOOFAPAKAJCSM-CYBMUJFWSA-N 0 0 248.326 2.007 50 0 BEAARN CN(Cc1cccnc1)C(=O)c1ccc(F)cc1 ZINC000032967299 172884540 /nfs/dbraw/zinc/88/45/40/172884540.db2.gz FETCOZJRYHYLOJ-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN CN1CCCN(C(=O)C2CC2)c2ccccc21 ZINC000078150132 173011156 /nfs/dbraw/zinc/01/11/56/173011156.db2.gz JGOVHELKJCMVKH-UHFFFAOYSA-N 0 0 230.311 2.270 50 0 BEAARN C[N@@H+]1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000032918989 173022005 /nfs/dbraw/zinc/02/20/05/173022005.db2.gz ZCAKVRDVEBTZMN-GFCCVEGCSA-N 0 0 219.284 2.194 50 0 BEAARN C[N@@H+]1CCC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000075906315 173022795 /nfs/dbraw/zinc/02/27/95/173022795.db2.gz SWOHKJZHILEBHO-SNVBAGLBSA-N 0 0 219.284 2.194 50 0 BEAARN CN1CCCc2cc(C(=O)NC3CC3)sc21 ZINC000075403213 173062544 /nfs/dbraw/zinc/06/25/44/173062544.db2.gz AFXXCGLKRAUCPY-UHFFFAOYSA-N 0 0 236.340 2.023 50 0 BEAARN CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000060463140 173088834 /nfs/dbraw/zinc/08/88/34/173088834.db2.gz IPNUWFOEYPPXDG-UHFFFAOYSA-N 0 0 230.764 2.149 50 0 BEAARN CN1CC[C@H](SCc2ccccc2)C1=O ZINC000098010239 173156785 /nfs/dbraw/zinc/15/67/85/173156785.db2.gz DJQAMUIWDNETMN-NSHDSACASA-N 0 0 221.325 2.151 50 0 BEAARN CN1CCc2oc3ccc(N)cc3c2C1 ZINC000000300804 173174718 /nfs/dbraw/zinc/17/47/18/173174718.db2.gz QDGXQLBTWSAYMF-UHFFFAOYSA-N 0 0 202.257 2.003 50 0 BEAARN CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000044597099 173222644 /nfs/dbraw/zinc/22/26/44/173222644.db2.gz PKESGCJOWWPWTG-UHFFFAOYSA-N 0 0 209.676 2.118 50 0 BEAARN CNC(=O)CSc1cc(C)c2ccccc2n1 ZINC000005392431 173280033 /nfs/dbraw/zinc/28/00/33/173280033.db2.gz OVRLOUIQZZRHAJ-UHFFFAOYSA-N 0 0 246.335 2.381 50 0 BEAARN CNC(=O)CSc1ccccc1Cl ZINC000012912935 173280168 /nfs/dbraw/zinc/28/01/68/173280168.db2.gz NQCFMVKXPKQDJJ-UHFFFAOYSA-N 0 0 215.705 2.178 50 0 BEAARN CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000055472922 173285014 /nfs/dbraw/zinc/28/50/14/173285014.db2.gz MVUOQBOCDNIEBG-NSHDSACASA-N 0 0 222.263 2.302 50 0 BEAARN CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000080585727 173285354 /nfs/dbraw/zinc/28/53/54/173285354.db2.gz RKWAVFIDUBBHCR-WCQYABFASA-N 0 0 232.327 2.451 50 0 BEAARN CNC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000089791407 173291620 /nfs/dbraw/zinc/29/16/20/173291620.db2.gz KBPQTUULSOLHLR-LBPRGKRZSA-N 0 0 238.306 2.322 50 0 BEAARN CNC(=O)Oc1cccc2c1OC(C)(C)C2 ZINC000000056963 173293463 /nfs/dbraw/zinc/29/34/63/173293463.db2.gz DUEPRVBVGDRKAG-UHFFFAOYSA-N 0 0 221.256 2.118 50 0 endogenous,in-man BEAARN CNC(=O)Oc1ccc2c(c1)CCCC2 ZINC000060021009 173293489 /nfs/dbraw/zinc/29/34/89/173293489.db2.gz RYEMUKPNXLWDQO-UHFFFAOYSA-N 0 0 205.257 2.284 50 0 BEAARN CNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000095404071 173300123 /nfs/dbraw/zinc/30/01/23/173300123.db2.gz PNPLLXYCHPWYRE-JSGCOSHPSA-N 0 0 215.296 2.027 50 0 BEAARN CNC(=O)c1cc(NC)nc2c(Cl)cccc12 ZINC000064554523 173309719 /nfs/dbraw/zinc/30/97/19/173309719.db2.gz IWZFVXJACFTEED-UHFFFAOYSA-N 0 0 249.701 2.290 50 0 BEAARN CNC(=O)c1cc2ccccc2cc1OC ZINC000005171870 173310090 /nfs/dbraw/zinc/31/00/90/173310090.db2.gz MQFCSCBAGYIOJD-UHFFFAOYSA-N 0 0 215.252 2.208 50 0 BEAARN CNC(=O)c1cc2cccc(Cl)c2o1 ZINC000096460738 173310132 /nfs/dbraw/zinc/31/01/32/173310132.db2.gz IGYDNHGFTSHRPI-UHFFFAOYSA-N 0 0 209.632 2.446 50 0 BEAARN CNC(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000058267048 173310165 /nfs/dbraw/zinc/31/01/65/173310165.db2.gz OKIJJIVVTLYPNA-UHFFFAOYSA-N 0 0 232.308 2.478 50 0 BEAARN CNC(=O)c1cc2c(cccc2F)s1 ZINC000007038930 173310181 /nfs/dbraw/zinc/31/01/81/173310181.db2.gz GKJZTOZHMLFLTD-UHFFFAOYSA-N 0 0 209.245 2.400 50 0 BEAARN CNC(=O)c1nc(-c2cccs2)oc1C ZINC000058244739 173314203 /nfs/dbraw/zinc/31/42/03/173314203.db2.gz VOSUAJOHIWXIJW-UHFFFAOYSA-N 0 0 222.269 2.071 50 0 BEAARN CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000089391695 173314518 /nfs/dbraw/zinc/31/45/18/173314518.db2.gz GBQXSEDDAYAFEP-UHFFFAOYSA-N 0 0 236.658 2.355 50 0 BEAARN CNC(=S)Nc1cccc(SC)c1 ZINC000006331359 173317288 /nfs/dbraw/zinc/31/72/88/173317288.db2.gz UQIHNEDXHVTOAV-UHFFFAOYSA-N 0 0 212.343 2.325 50 0 BEAARN C[NH2+]Cc1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000012899439 173387811 /nfs/dbraw/zinc/38/78/11/173387811.db2.gz OMNHDYGQUQYEHK-UHFFFAOYSA-N 0 0 231.251 2.364 50 0 biogenic BEAARN CO/C=C\[C@H]1CC(c2ccccc2)=NO1 ZINC000097371811 173491865 /nfs/dbraw/zinc/49/18/65/173491865.db2.gz XYUGEABQUNDXGM-TVRMLOFPSA-N 0 0 203.241 2.340 50 0 BEAARN COC(=O)C1=Cc2ccccc2OC=C1 ZINC000000347036 173517961 /nfs/dbraw/zinc/51/79/61/173517961.db2.gz QPRBHKCCWBJKOB-UHFFFAOYSA-N 0 0 202.209 2.149 50 0 BEAARN COC(=O)CC(=O)Cc1ccc(Cl)cc1 ZINC000036532650 173520503 /nfs/dbraw/zinc/52/05/03/173520503.db2.gz CAZZOLHYAAIMBN-UHFFFAOYSA-N 0 0 226.659 2.015 50 0 BEAARN COC(=O)CCC(=O)Nc1ccc(C)c(F)c1 ZINC000040023619 173525614 /nfs/dbraw/zinc/52/56/14/173525614.db2.gz OOGKVPGFZRMEKY-UHFFFAOYSA-N 0 0 239.246 2.026 50 0 BEAARN COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000001628167 173527280 /nfs/dbraw/zinc/52/72/80/173527280.db2.gz SLONBSAYACJVRR-UHFFFAOYSA-N 0 0 226.659 2.476 50 0 BEAARN COC(=O)CCCn1nc2cc(C)c(C)cc2n1 ZINC000094992573 173547323 /nfs/dbraw/zinc/54/73/23/173547323.db2.gz YTNWVDRVEGCMRV-UHFFFAOYSA-N 0 0 247.298 2.001 50 0 BEAARN COC(=O)C[C@@H](C)c1c(Cl)ncnc1Cl ZINC000116800234 173625685 /nfs/dbraw/zinc/62/56/85/173625685.db2.gz BKTSPYPORGPMQE-RXMQYKEDSA-N 0 0 249.097 2.450 50 0 BEAARN COC(=O)N[C@H](C)CCc1ccccc1 ZINC000000461747 173661166 /nfs/dbraw/zinc/66/11/66/173661166.db2.gz PQARRPNUWVTQLX-SNVBAGLBSA-N 0 0 207.273 2.364 50 0 BEAARN COC(=O)[C@@H](C)Nc1cccc(C)c1C ZINC000044870451 173691759 /nfs/dbraw/zinc/69/17/59/173691759.db2.gz TZKILWOMJAUGQL-SNVBAGLBSA-N 0 0 207.273 2.277 50 0 BEAARN COC(=O)[C@H](C)Nc1cccc(C)c1C ZINC000044870447 173788505 /nfs/dbraw/zinc/78/85/05/173788505.db2.gz TZKILWOMJAUGQL-JTQLQIEISA-N 0 0 207.273 2.277 50 0 BEAARN COC(=O)[C@]1(C)CCCc2ccccc21 ZINC000034172410 173836646 /nfs/dbraw/zinc/83/66/46/173836646.db2.gz WPQDZEYPGYMDAI-CYBMUJFWSA-N 0 0 204.269 2.454 50 0 BEAARN COC(=O)c1cc2ccccc2nc1C ZINC000044892218 173865016 /nfs/dbraw/zinc/86/50/16/173865016.db2.gz BAWCSYLGYDUKMW-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN COC(=O)c1ccc(C(F)(F)F)nc1C ZINC000000152398 173872318 /nfs/dbraw/zinc/87/23/18/173872318.db2.gz NEBSPXCPFDLIHP-UHFFFAOYSA-N 0 0 219.162 2.195 50 0 BEAARN COC(=O)c1ccc2c(=O)cc[nH]c2c1C ZINC000261494760 173890084 /nfs/dbraw/zinc/89/00/84/173890084.db2.gz DONWGHJVALLIQI-UHFFFAOYSA-N 0 0 217.224 2.035 50 0 BEAARN COC(=O)c1ccc2cccc(C(=O)OC)c2c1 ZINC000034581459 173891230 /nfs/dbraw/zinc/89/12/30/173891230.db2.gz PHQPWDYQGMVULG-UHFFFAOYSA-N 0 0 244.246 2.413 50 0 BEAARN COC(=O)c1cccc(NC(=O)C=C(C)C)c1 ZINC000000145627 173895231 /nfs/dbraw/zinc/89/52/31/173895231.db2.gz KSGYWTDYPSASHI-UHFFFAOYSA-N 0 0 233.267 2.378 50 0 BEAARN COC(C)(C)CNC(=O)NCCC1=CCCC1 ZINC000096483854 173941690 /nfs/dbraw/zinc/94/16/90/173941690.db2.gz NCOVEJCIHFCTAS-UHFFFAOYSA-N 0 0 240.347 2.211 50 0 BEAARN COC(OC)c1nnc(-c2ccccc2)o1 ZINC000068575493 173965793 /nfs/dbraw/zinc/96/57/93/173965793.db2.gz WBMVOXQPFQYXCA-UHFFFAOYSA-N 0 0 220.228 2.028 50 0 BEAARN COC1CC(OC(=O)c2ccc(C)cc2)C1 ZINC000095944503 174020035 /nfs/dbraw/zinc/02/00/35/174020035.db2.gz PUCPDTSJTAKJHU-UHFFFAOYSA-N 0 0 220.268 2.329 50 0 BEAARN COC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000053897993 174027181 /nfs/dbraw/zinc/02/71/81/174027181.db2.gz IOIIANBRVPANDA-UHFFFAOYSA-N 0 0 234.299 2.329 50 0 BEAARN COCC(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000040107880 174053551 /nfs/dbraw/zinc/05/35/51/174053551.db2.gz MVIVUOSLMANTQW-VIFPVBQESA-N 0 0 241.718 2.034 50 0 BEAARN COCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000072437137 174054568 /nfs/dbraw/zinc/05/45/68/174054568.db2.gz UWFOXPZXJUPVQU-LLVKDONJSA-N 0 0 249.310 2.051 50 0 BEAARN COCC(=O)Nc1ccc(Cl)cc1C ZINC000000457933 174058010 /nfs/dbraw/zinc/05/80/10/174058010.db2.gz RNZLQPFIJDGKIN-UHFFFAOYSA-N 0 0 213.664 2.233 50 0 BEAARN COCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000040442678 174118739 /nfs/dbraw/zinc/11/87/39/174118739.db2.gz KDOINXYPVJQGPE-UHFFFAOYSA-N 0 0 229.320 2.280 50 0 BEAARN COCCC(=O)Nc1cc(Cl)ccc1F ZINC000058377924 174135651 /nfs/dbraw/zinc/13/56/51/174135651.db2.gz LBFJQWXHSQDCDU-UHFFFAOYSA-N 0 0 231.654 2.454 50 0 BEAARN COCCC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000072530137 174135984 /nfs/dbraw/zinc/13/59/84/174135984.db2.gz FCRLEZCNVDPCBM-UHFFFAOYSA-N 0 0 249.097 2.363 50 0 BEAARN COCCCN(Cc1ccccc1)C(C)=O ZINC000225447748 174226483 /nfs/dbraw/zinc/22/64/83/174226483.db2.gz FOLCADWZOFBKEK-UHFFFAOYSA-N 0 0 221.300 2.072 50 0 BEAARN COCCCNC(=O)CCC1CCCC1 ZINC000002772391 174236881 /nfs/dbraw/zinc/23/68/81/174236881.db2.gz WYANLGCHSQVIPF-UHFFFAOYSA-N 0 0 213.321 2.110 50 0 BEAARN COCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000048324751 174243879 /nfs/dbraw/zinc/24/38/79/174243879.db2.gz YSUOQZKOQNGYEQ-NEPJUHHUSA-N 0 0 239.359 2.378 50 0 BEAARN COCCCNC(=O)c1ccc(Cl)cc1F ZINC000032768061 174245189 /nfs/dbraw/zinc/24/51/89/174245189.db2.gz RTDVYQNDQRLIOK-UHFFFAOYSA-N 0 0 245.681 2.245 50 0 BEAARN COCCCNC(=O)c1cccc2ncccc21 ZINC000058393868 174245511 /nfs/dbraw/zinc/24/55/11/174245511.db2.gz DCGKOAKYAWNGCK-UHFFFAOYSA-N 0 0 244.294 2.001 50 0 BEAARN COCCCNC(=O)c1ccccc1Cl ZINC000002181335 174246247 /nfs/dbraw/zinc/24/62/47/174246247.db2.gz VZIDWXFEEUFPQI-UHFFFAOYSA-N 0 0 227.691 2.106 50 0 BEAARN COCCCNc1nc2ccccc2o1 ZINC000024832941 174251736 /nfs/dbraw/zinc/25/17/36/174251736.db2.gz YINQROHLSPADBJ-UHFFFAOYSA-N 0 0 206.245 2.276 50 0 BEAARN COCCCOc1c(N)cccc1Cl ZINC000014629230 174257165 /nfs/dbraw/zinc/25/71/65/174257165.db2.gz FLHYGAZNWBJQPU-UHFFFAOYSA-N 0 0 215.680 2.338 50 0 BEAARN COCCCS[C@@H](C)c1nnc(C)o1 ZINC000170602141 174258321 /nfs/dbraw/zinc/25/83/21/174258321.db2.gz KMFSJKURIPHWCP-ZETCQYMHSA-N 0 0 216.306 2.209 50 0 BEAARN COCCN(CC(F)F)[C@@H]1C=CCCC1 ZINC000066532616 174288758 /nfs/dbraw/zinc/28/87/58/174288758.db2.gz MMYCRMCHNPLFAA-SNVBAGLBSA-N 0 0 219.275 2.309 50 0 BEAARN COCCN(Cc1ccco1)C(=O)c1ccco1 ZINC000045416997 174301222 /nfs/dbraw/zinc/30/12/22/174301222.db2.gz QETUOLDIHNSEAN-UHFFFAOYSA-N 0 0 249.266 2.161 50 0 BEAARN COCCNC(=O)Nc1ccc(SC)cc1 ZINC000043867503 174326002 /nfs/dbraw/zinc/32/60/02/174326002.db2.gz GLXBUHNMAIDABW-UHFFFAOYSA-N 0 0 240.328 2.176 50 0 BEAARN COCCN=C1Nc2ccccc2CS1 ZINC000009283090 174330152 /nfs/dbraw/zinc/33/01/52/174330152.db2.gz PCGVRQLMTRGONS-UHFFFAOYSA-N 0 0 222.313 2.157 50 0 BEAARN COCCNC(=S)NC(C)(C)CC(C)(C)C ZINC000002766654 174330458 /nfs/dbraw/zinc/33/04/58/174330458.db2.gz AWDUREZRAJPWEI-UHFFFAOYSA-N 0 0 246.420 2.312 50 0 BEAARN COCCOc1ccc(N)cc1C(F)(F)F ZINC000006678523 174368447 /nfs/dbraw/zinc/36/84/47/174368447.db2.gz MTLLVZDLLCJHSE-UHFFFAOYSA-N 0 0 235.205 2.313 50 0 BEAARN COCCOc1cccc(F)c1C(C)=O ZINC000019871391 174369975 /nfs/dbraw/zinc/36/99/75/174369975.db2.gz IPRCBBQWTRWQNI-UHFFFAOYSA-N 0 0 212.220 2.054 50 0 BEAARN COCCSCC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000040508869 174374616 /nfs/dbraw/zinc/37/46/16/174374616.db2.gz LKFPSBHBQCEICC-MNOVXSKESA-N 0 0 245.388 2.061 50 0 BEAARN COCCSCc1ccnc(N(C)C)c1 ZINC000096006609 174376655 /nfs/dbraw/zinc/37/66/55/174376655.db2.gz FLVZITRZBFYCPD-UHFFFAOYSA-N 0 0 226.345 2.027 50 0 BEAARN COCC[C@@H](C)Nc1c[nH]nc1-c1ccccn1 ZINC000187505177 174386432 /nfs/dbraw/zinc/38/64/32/174386432.db2.gz AQZMWLNNNQLZAK-SNVBAGLBSA-N 0 0 246.314 2.309 50 0 BEAARN COC[C@@H](C)Nc1ncnc2ccc(F)cc21 ZINC000096453174 174462831 /nfs/dbraw/zinc/46/28/31/174462831.db2.gz SJRTUFONTCVWMT-MRVPVSSYSA-N 0 0 235.262 2.216 50 0 BEAARN COC[C@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000058283588 174545038 /nfs/dbraw/zinc/54/50/38/174545038.db2.gz RKKDJOJSSLBGMY-SRVKXCTJSA-N 0 0 239.359 2.376 50 0 BEAARN COCc1cccc(CNC(=O)c2ccoc2)c1 ZINC000036397936 174630630 /nfs/dbraw/zinc/63/06/30/174630630.db2.gz SNMWQBOAZYHXHZ-UHFFFAOYSA-N 0 0 245.278 2.356 50 0 BEAARN COCc1cccc(NC(=O)c2cc(C)no2)c1 ZINC000025335227 174632224 /nfs/dbraw/zinc/63/22/24/174632224.db2.gz UHITYLFJKYGSBI-UHFFFAOYSA-N 0 0 246.266 2.382 50 0 BEAARN COCc1[nH]nc(N)c1-c1ccc(C)cc1 ZINC000008701291 174638643 /nfs/dbraw/zinc/63/86/43/174638643.db2.gz BCXAJARIERXCKE-UHFFFAOYSA-N 0 0 217.272 2.114 50 0 BEAARN CON(C)C(=O)/C=C\c1nc2ccccc2s1 ZINC000096568736 174654624 /nfs/dbraw/zinc/65/46/24/174654624.db2.gz ACVWSSPXIHBUHH-FPLPWBNLSA-N 0 0 248.307 2.329 50 0 BEAARN CONC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000048443103 174668050 /nfs/dbraw/zinc/66/80/50/174668050.db2.gz PBYGEGWBKNPAQV-UHFFFAOYSA-N 0 0 242.278 2.403 50 0 BEAARN CO[C@@H]1CCC[C@H]1OC(=O)c1c(C)noc1C ZINC000097094954 174753412 /nfs/dbraw/zinc/75/34/12/174753412.db2.gz AMQCBVRGVVVTRK-NXEZZACHSA-N 0 0 239.271 2.016 50 0 BEAARN COc1c(C)oc2c3c(ccc2c1=O)O[C@@H](C)C3 ZINC000000481627 174927368 /nfs/dbraw/zinc/92/73/68/174927368.db2.gz OBVDOZGICBHYSV-ZETCQYMHSA-N 0 0 246.262 2.433 50 0 BEAARN COc1cc(-c2noc(-c3ccoc3)n2)ccn1 ZINC000078708153 174939009 /nfs/dbraw/zinc/93/90/09/174939009.db2.gz ZYBNFABWUXUFAL-UHFFFAOYSA-N 0 0 243.222 2.400 50 0 BEAARN COc1cc(-c2nnc(C)o2)ccc1C ZINC000064556832 174939054 /nfs/dbraw/zinc/93/90/54/174939054.db2.gz DWRDIPNWGLNKDJ-UHFFFAOYSA-N 0 0 204.229 2.362 50 0 BEAARN COc1cc(O)cc(Br)c1OC ZINC000032301972 175005410 /nfs/dbraw/zinc/00/54/10/175005410.db2.gz KOUSUSBFSYVBFK-UHFFFAOYSA-N 0 0 233.061 2.172 50 0 BEAARN COc1cc(OC)c2c(C)cc(=O)oc2c1 ZINC000000058042 175007909 /nfs/dbraw/zinc/00/79/09/175007909.db2.gz WFSKVHPOKPQJSU-UHFFFAOYSA-N 0 0 220.224 2.119 50 0 biogenic BEAARN COc1cc2[nH]c(=O)c(C=O)cc2cc1Cl ZINC000094992627 175019042 /nfs/dbraw/zinc/01/90/42/175019042.db2.gz CHCQKMBNHJJUGQ-UHFFFAOYSA-N 0 0 237.642 2.003 50 0 BEAARN COc1cc2c(Cl)ncnc2cc1F ZINC000095742703 175019942 /nfs/dbraw/zinc/01/99/42/175019942.db2.gz XVFCYYAFOCEJSI-UHFFFAOYSA-N 0 0 212.611 2.431 50 0 BEAARN COc1cc2ccnc(C(C)=O)c2cc1OC ZINC000082778721 175027773 /nfs/dbraw/zinc/02/77/73/175027773.db2.gz VZIHGORDPWMIHM-UHFFFAOYSA-N 0 0 231.251 2.455 50 0 BEAARN COc1cc2oc(=O)cc(C)c2cc1OC ZINC000000140178 175029124 /nfs/dbraw/zinc/02/91/24/175029124.db2.gz GBYDSYPGGDKWGZ-UHFFFAOYSA-N 0 0 220.224 2.119 50 0 biogenic BEAARN COc1ccc(-c2ccnc(NC#N)n2)cc1 ZINC000071375416 175035936 /nfs/dbraw/zinc/03/59/36/175035936.db2.gz XDTHNSGISKCNJA-UHFFFAOYSA-N 0 0 226.239 2.045 50 0 BEAARN COc1ccc(-c2csc(N)n2)c(OC)c1 ZINC000000187291 175037703 /nfs/dbraw/zinc/03/77/03/175037703.db2.gz NRGCDEWBJMQJBX-UHFFFAOYSA-N 0 0 236.296 2.410 50 0 BEAARN COc1ccc(-c2csc(N)n2)cc1 ZINC000001508401 175038030 /nfs/dbraw/zinc/03/80/30/175038030.db2.gz YPVVEXKDPBRGIK-UHFFFAOYSA-N 0 0 206.270 2.401 50 0 BEAARN COc1ccc(-c2nc(N)cs2)cc1 ZINC000034363030 175039698 /nfs/dbraw/zinc/03/96/98/175039698.db2.gz FUBOEVBUHWICPA-UHFFFAOYSA-N 0 0 206.270 2.401 50 0 BEAARN COc1ccc(-c2noc(C(C)(C)OC)n2)cn1 ZINC000191584634 175042460 /nfs/dbraw/zinc/04/24/60/175042460.db2.gz CNVHBZDRGXSJFR-UHFFFAOYSA-N 0 0 249.270 2.022 50 0 BEAARN COc1ccc(C2N=NC(=S)O2)cc1OC ZINC000000202796 175042739 /nfs/dbraw/zinc/04/27/39/175042739.db2.gz LYWWVVSCYDBFCO-UHFFFAOYSA-N 0 0 238.268 2.043 50 0 BEAARN COc1ccc(-n2ncc(C=O)c2C)cc1 ZINC000000161894 175044784 /nfs/dbraw/zinc/04/47/84/175044784.db2.gz SYBPJZRAGTVHTN-UHFFFAOYSA-N 0 0 216.240 2.002 50 0 BEAARN COc1ccc(-n2nc3ccccc3n2)cc1 ZINC000000500719 175045051 /nfs/dbraw/zinc/04/50/51/175045051.db2.gz NIRODTDWIZYNHE-UHFFFAOYSA-N 0 0 225.251 2.429 50 0 BEAARN COc1ccc(Br)c(OC)c1OC ZINC000000404177 175051413 /nfs/dbraw/zinc/05/14/13/175051413.db2.gz HKCQJLVIFMFOTG-UHFFFAOYSA-N 0 0 247.088 2.475 50 0 BEAARN COc1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000032736110 175055905 /nfs/dbraw/zinc/05/59/05/175055905.db2.gz KPYOZYMUEXUUPC-UHFFFAOYSA-N 0 0 223.247 2.070 50 0 BEAARN COc1ccc(C(=O)N2CCC[C@@H](C)C2)c(O)c1 ZINC000012913390 175056273 /nfs/dbraw/zinc/05/62/73/175056273.db2.gz JMWVXVGJMYPIFO-SNVBAGLBSA-N 0 0 249.310 2.273 50 0 BEAARN COc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000000272121 175061107 /nfs/dbraw/zinc/06/11/07/175061107.db2.gz PLTMSQOTVPPEEH-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccc(C(=O)Nc2cccc(C)n2)cn1 ZINC000008747516 175063939 /nfs/dbraw/zinc/06/39/39/175063939.db2.gz IJZUUCJWHCZDMI-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccc(C(=O)Nc2cccnc2)c(F)c1 ZINC000018106343 175064034 /nfs/dbraw/zinc/06/40/34/175064034.db2.gz ARAYYGNVHRVHPQ-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(C(=O)Nc2nccs2)cc1 ZINC000000123532 175064835 /nfs/dbraw/zinc/06/48/35/175064835.db2.gz PPERAEKJEHRHOY-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 in-vivo BEAARN COc1ccc(C(=O)OCC[C@@H](C)OC)cc1 ZINC000002046598 175065108 /nfs/dbraw/zinc/06/51/08/175065108.db2.gz XGIHCPWVDFMFIK-SNVBAGLBSA-N 0 0 238.283 2.277 50 0 BEAARN COc1ccc(C(F)(F)F)[nH]c1=S ZINC000263623312 175070055 /nfs/dbraw/zinc/07/00/55/175070055.db2.gz GKTCOIZGKCOTKY-UHFFFAOYSA-N 0 0 209.192 2.398 50 0 BEAARN COc1ccc(C)cc1CCNC(=O)[C@@H]1C[C@H]1C ZINC000025762020 175075076 /nfs/dbraw/zinc/07/50/76/175075076.db2.gz XUUOEWPYCMSNCP-DGCLKSJQSA-N 0 0 247.338 2.318 50 0 BEAARN COc1ccc(C2=NCCn3cccc32)cc1 ZINC000000035372 175085220 /nfs/dbraw/zinc/08/52/20/175085220.db2.gz RXPCSECNMNUSIB-UHFFFAOYSA-N 0 0 226.279 2.348 50 0 BEAARN COc1ccc(C2CCN(C(C)=O)CC2)cc1 ZINC000064553639 175085658 /nfs/dbraw/zinc/08/56/58/175085658.db2.gz GSKIJOUSMMGPQZ-UHFFFAOYSA-N 0 0 233.311 2.421 50 0 BEAARN COc1ccc(CCNCC(F)(F)F)cc1 ZINC000020044582 175091863 /nfs/dbraw/zinc/09/18/63/175091863.db2.gz MZNDYLGTOPHTIR-UHFFFAOYSA-N 0 0 233.233 2.390 50 0 BEAARN COc1ccc(CN2CCOCC2)c(C)c1C ZINC000019633240 175101974 /nfs/dbraw/zinc/10/19/74/175101974.db2.gz MCZCBNQTEJGAQM-UHFFFAOYSA-N 0 0 235.327 2.144 50 0 BEAARN COc1ccc(CNC(=O)CC(F)(F)F)cc1 ZINC000043069942 175103784 /nfs/dbraw/zinc/10/37/84/175103784.db2.gz NHHJQXCCKCXDHU-UHFFFAOYSA-N 0 0 247.216 2.264 50 0 BEAARN COc1ccc(CO)c(C(F)(F)F)c1OC ZINC000082048922 175113615 /nfs/dbraw/zinc/11/36/15/175113615.db2.gz QQEVWZMTFIRWPZ-UHFFFAOYSA-N 0 0 236.189 2.215 50 0 BEAARN COc1ccc(COc2ccc(C)cn2)cn1 ZINC000079061953 175114608 /nfs/dbraw/zinc/11/46/08/175114608.db2.gz ASUUFSCXNASLOK-UHFFFAOYSA-N 0 0 230.267 2.373 50 0 BEAARN COc1ccc(CSc2nccn2C)nc1 ZINC000095941640 175114909 /nfs/dbraw/zinc/11/49/09/175114909.db2.gz RUAMTHBDBQCVLC-UHFFFAOYSA-N 0 0 235.312 2.116 50 0 BEAARN COc1ccc(Cl)cc1CN1CCOCC1 ZINC000020057123 175120226 /nfs/dbraw/zinc/12/02/26/175120226.db2.gz RTVRGDQMOUTXLX-UHFFFAOYSA-N 0 0 241.718 2.181 50 0 BEAARN COc1ccc(Cn2cc(C)cn2)cc1F ZINC000098013759 175123558 /nfs/dbraw/zinc/12/35/58/175123558.db2.gz YCJLSAPAVYNGOX-UHFFFAOYSA-N 0 0 220.247 2.388 50 0 BEAARN COc1ccc(F)c(-c2cc(C)nc(N)n2)c1 ZINC000032578296 175124880 /nfs/dbraw/zinc/12/48/80/175124880.db2.gz CGKWMLOBRBBBPO-UHFFFAOYSA-N 0 0 233.246 2.182 50 0 BEAARN COc1ccc(N)cc1Oc1ccc(C)nn1 ZINC000041074864 175138221 /nfs/dbraw/zinc/13/82/21/175138221.db2.gz IOAHBUVNSVJCAZ-UHFFFAOYSA-N 0 0 231.255 2.168 50 0 BEAARN COc1ccc(N)cc1NC(=O)C1CCCC1 ZINC000008703560 175138425 /nfs/dbraw/zinc/13/84/25/175138425.db2.gz WPIBHBLFHMRKCS-UHFFFAOYSA-N 0 0 234.299 2.406 50 0 BEAARN COc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000332002 175140621 /nfs/dbraw/zinc/14/06/21/175140621.db2.gz OUTSPSLYNAJENA-UHFFFAOYSA-N 0 0 219.162 2.196 50 0 BEAARN COc1ccc(NC(=O)C2CCCC2)cn1 ZINC000005199251 175140684 /nfs/dbraw/zinc/14/06/84/175140684.db2.gz CNMZCVJBJVEHLT-UHFFFAOYSA-N 0 0 220.272 2.219 50 0 BEAARN COc1ccc(NC(=O)C(F)(F)F)cc1OC ZINC000000458518 175140816 /nfs/dbraw/zinc/14/08/16/175140816.db2.gz JKOXZCJQDBFWJU-UHFFFAOYSA-N 0 0 249.188 2.205 50 0 BEAARN COc1ccc(NC(=O)N2CCC(C)CC2)cn1 ZINC000040487639 175143367 /nfs/dbraw/zinc/14/33/67/175143367.db2.gz HJFBXZOQQIREKF-UHFFFAOYSA-N 0 0 249.314 2.354 50 0 BEAARN COc1ccc(NC(=O)Nc2cnn(C)c2)cc1 ZINC000043273261 175144431 /nfs/dbraw/zinc/14/44/31/175144431.db2.gz NKUMMECDGLCSJF-UHFFFAOYSA-N 0 0 246.270 2.073 50 0 BEAARN COc1ccc(NC(=O)NCc2ccco2)cn1 ZINC000040513519 175145040 /nfs/dbraw/zinc/14/50/40/175145040.db2.gz NPKSAQLNNYXUDI-UHFFFAOYSA-N 0 0 247.254 2.005 50 0 BEAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(OC)c1 ZINC000005461571 175145445 /nfs/dbraw/zinc/14/54/45/175145445.db2.gz ADRWLHXWNYGAMI-WCBMZHEXSA-N 0 0 235.283 2.298 50 0 BEAARN COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000005559997 175147848 /nfs/dbraw/zinc/14/78/48/175147848.db2.gz VVBRWFBHPKUVOI-KCJUWKMLSA-N 0 0 205.257 2.290 50 0 BEAARN COc1ccc(NC(=S)NC2CC2)cc1 ZINC000000452915 175148845 /nfs/dbraw/zinc/14/88/45/175148845.db2.gz VXQFDOHAJOKCDL-UHFFFAOYSA-N 0 0 222.313 2.144 50 0 BEAARN COc1ccc(NC[C@@H]2CCOC2)cc1 ZINC000019964862 175151290 /nfs/dbraw/zinc/15/12/90/175151290.db2.gz MOKHPDAMAWUTHI-JTQLQIEISA-N 0 0 207.273 2.144 50 0 BEAARN COc1ccc(O)c(F)c1OC(C)C ZINC000261493519 175159176 /nfs/dbraw/zinc/15/91/76/175159176.db2.gz CRLOPUMSYKSZFT-UHFFFAOYSA-N 0 0 200.209 2.327 50 0 BEAARN COc1ccc(OC(=O)[C@@H]2C[C@H]2C)cc1OC ZINC000096442984 175162732 /nfs/dbraw/zinc/16/27/32/175162732.db2.gz KDZZEDKSRRAHHO-PSASIEDQSA-N 0 0 236.267 2.265 50 0 BEAARN COc1ccc(OC)c(C2N=NC(=S)O2)c1 ZINC000026422356 175163738 /nfs/dbraw/zinc/16/37/38/175163738.db2.gz QUDBODKFHNXRQP-UHFFFAOYSA-N 0 0 238.268 2.043 50 0 BEAARN COc1ccc(OC)c([C@@H](C)NC(=O)C2CC2)c1 ZINC000005094549 175166760 /nfs/dbraw/zinc/16/67/60/175166760.db2.gz AWKSXFZTRMURDH-SECBINFHSA-N 0 0 249.310 2.291 50 0 BEAARN COc1ccc(Oc2cnns2)cc1 ZINC000001385807 175173832 /nfs/dbraw/zinc/17/38/32/175173832.db2.gz PKODYJJFUYUDOL-UHFFFAOYSA-N 0 0 208.242 2.339 50 0 BEAARN COc1ccc([C@H]2CCCN2C(C)=O)cc1 ZINC000032819470 175194660 /nfs/dbraw/zinc/19/46/60/175194660.db2.gz ZFYAMIVRZMXOKQ-CYBMUJFWSA-N 0 0 219.284 2.379 50 0 BEAARN COc1ccc2c(C)cc(=O)oc2c1C ZINC000000449643 175203659 /nfs/dbraw/zinc/20/36/59/175203659.db2.gz OMNGMJMBWPLZLA-UHFFFAOYSA-N 0 0 204.225 2.418 50 0 BEAARN COc1ccc2c(Cl)ncnc2c1OC ZINC000040448797 175204719 /nfs/dbraw/zinc/20/47/19/175204719.db2.gz RZPKBBLAXBUADI-UHFFFAOYSA-N 0 0 224.647 2.300 50 0 BEAARN COc1ccc2cc(C(N)=S)ccc2c1 ZINC000022141095 175223650 /nfs/dbraw/zinc/22/36/50/175223650.db2.gz SZNBNJFTZHUGPB-UHFFFAOYSA-N 0 0 217.293 2.483 50 0 BEAARN COc1ccc2cc(CO)c(Cl)nc2c1 ZINC000000349865 175224411 /nfs/dbraw/zinc/22/44/11/175224411.db2.gz VZILTDJTOMNDTH-UHFFFAOYSA-N 0 0 223.659 2.389 50 0 BEAARN COc1cccc(-c2noc(Cl)n2)c1 ZINC000037926779 175238532 /nfs/dbraw/zinc/23/85/32/175238532.db2.gz SCMNELHOIBQQMD-UHFFFAOYSA-N 0 0 210.620 2.399 50 0 BEAARN COc1cccc(C=C2SC(=O)NC2=O)c1 ZINC000012341826 175240488 /nfs/dbraw/zinc/24/04/88/175240488.db2.gz IPQWMGNQGDHUJR-TWGQIWQCSA-N 0 0 235.264 2.019 50 0 BEAARN COc1cccc(C(=O)NCC(C)C)c1 ZINC000000290309 175244386 /nfs/dbraw/zinc/24/43/86/175244386.db2.gz BNFJAAKDMOPMEN-UHFFFAOYSA-N 0 0 207.273 2.081 50 0 BEAARN COc1cccc(C(=O)Nn2c(C)ccc2C)c1 ZINC000013842808 175246580 /nfs/dbraw/zinc/24/65/80/175246580.db2.gz BYDBPBDONTVUFM-UHFFFAOYSA-N 0 0 244.294 2.497 50 0 BEAARN COc1cccc(C(=O)c2ccccn2)c1 ZINC000037463980 175247598 /nfs/dbraw/zinc/24/75/98/175247598.db2.gz YBVDKZSACQCHFA-UHFFFAOYSA-N 0 0 213.236 2.321 50 0 BEAARN COc1cccc(C=O)c1OCc1ccccn1 ZINC000008702277 175249032 /nfs/dbraw/zinc/24/90/32/175249032.db2.gz JCSSFZVCUCKUPJ-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN COc1cccc(CC(=O)Nc2cc(C)on2)c1 ZINC000012793621 175250883 /nfs/dbraw/zinc/25/08/83/175250883.db2.gz VELLYKZPSWGUSX-UHFFFAOYSA-N 0 0 246.266 2.173 50 0 BEAARN COc1cccc(N)c1Br ZINC000038339306 175275371 /nfs/dbraw/zinc/27/53/71/175275371.db2.gz TUNIZJPEKHLBPR-UHFFFAOYSA-N 0 0 202.051 2.040 50 0 BEAARN COc1cccc(NC(=O)Nc2cnccn2)c1 ZINC000006725635 175277602 /nfs/dbraw/zinc/27/76/02/175277602.db2.gz IYLGKTYUYWDKKS-UHFFFAOYSA-N 0 0 244.254 2.129 50 0 BEAARN COc1cccc(NC(=O)Nc2ccon2)c1 ZINC000006729085 175277669 /nfs/dbraw/zinc/27/76/69/175277669.db2.gz GHYQDECMDDJFFH-UHFFFAOYSA-N 0 0 233.227 2.327 50 0 BEAARN COc1cccc(Nc2ncnc3nc[nH]c32)c1 ZINC000000031969 175280755 /nfs/dbraw/zinc/28/07/55/175280755.db2.gz AXPCHVXFDHPTBW-UHFFFAOYSA-N 0 0 241.254 2.105 50 0 biogenic,in-vitro BEAARN COc1cccc(OC)c1-c1c[nH]c(C)n1 ZINC000019790086 175281062 /nfs/dbraw/zinc/28/10/62/175281062.db2.gz UUQMFYWQHXMQOM-UHFFFAOYSA-N 0 0 218.256 2.402 50 0 BEAARN COc1cccc(OC)c1Br ZINC000012359065 175281533 /nfs/dbraw/zinc/28/15/33/175281533.db2.gz VHVYSMMZHORFKU-UHFFFAOYSA-N 0 0 217.062 2.466 50 0 BEAARN COc1cccc(OC)c1OC(=O)NC(C)C ZINC000000401863 175282084 /nfs/dbraw/zinc/28/20/84/175282084.db2.gz AAUXEDPEKCFIPQ-UHFFFAOYSA-N 0 0 239.271 2.201 50 0 BEAARN COc1cccc2c1[nH]c(C)c(C)c2=O ZINC000034560055 175298106 /nfs/dbraw/zinc/29/81/06/175298106.db2.gz LMMVFCGRHXWUKR-UHFFFAOYSA-N 0 0 203.241 2.154 50 0 BEAARN COc1cccc2c1OC[C@@H](c1nc(C)no1)C2 ZINC000096165312 175305154 /nfs/dbraw/zinc/30/51/54/175305154.db2.gz RBYGAQODUSJTPA-JTQLQIEISA-N 0 0 246.266 2.105 50 0 BEAARN COc1ccccc1-c1n[nH]c(=S)n1C ZINC000000379490 175310129 /nfs/dbraw/zinc/31/01/29/175310129.db2.gz QTQYEVBKWNUVNN-UHFFFAOYSA-N 0 0 221.285 2.153 50 0 BEAARN COc1ccccc1-c1nc(Cl)n[nH]1 ZINC000215016291 175310780 /nfs/dbraw/zinc/31/07/80/175310780.db2.gz LDIFOMOSLZJALO-UHFFFAOYSA-N 0 0 209.636 2.134 50 0 BEAARN COc1ccccc1C(=O)NCc1ccco1 ZINC000000311520 175318055 /nfs/dbraw/zinc/31/80/55/175318055.db2.gz PQHWWRAXRWCRIG-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN COc1ccccc1C(=O)NCCc1ccco1 ZINC000021475209 175318559 /nfs/dbraw/zinc/31/85/59/175318559.db2.gz KZIIZGCNHZHGCH-UHFFFAOYSA-N 0 0 245.278 2.261 50 0 BEAARN COc1ccccc1C(=O)Nc1nccc(C)n1 ZINC000095469888 175318987 /nfs/dbraw/zinc/31/89/87/175318987.db2.gz BXXJHEBTTPZVIH-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccccc1C(=O)OCC[C@H](C)OC ZINC000078949320 175319141 /nfs/dbraw/zinc/31/91/41/175319141.db2.gz AMIFRZPEKVSIMJ-JTQLQIEISA-N 0 0 238.283 2.277 50 0 BEAARN COc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000012341300 175328989 /nfs/dbraw/zinc/32/89/89/175328989.db2.gz WEKGZAWJOBJDGM-TXEJJXNPSA-N 0 0 235.327 2.304 50 0 BEAARN COc1ccccc1CNC(=O)c1ccncc1 ZINC000000355552 175329449 /nfs/dbraw/zinc/32/94/49/175329449.db2.gz JAXXBRCOESJIPF-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccccc1CNc1ncccn1 ZINC000004689004 175331449 /nfs/dbraw/zinc/33/14/49/175331449.db2.gz SEKWQJWWUQIGFZ-UHFFFAOYSA-N 0 0 215.256 2.097 50 0 BEAARN COc1ccccc1NC(=O)c1cc(C)no1 ZINC000036562132 175336986 /nfs/dbraw/zinc/33/69/86/175336986.db2.gz OGGNHIRLPCLDAC-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccccc1NC(=O)c1ccncc1 ZINC000000974663 175337074 /nfs/dbraw/zinc/33/70/74/175337074.db2.gz TZVALONNYKQESI-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1cnc(-c2ccncc2)nc1Cl ZINC000029753804 175380773 /nfs/dbraw/zinc/38/07/73/175380773.db2.gz TVYLSRDFWJSOQA-UHFFFAOYSA-N 0 0 221.647 2.201 50 0 BEAARN COc1cncc(-c2cccc3ccnn32)c1 ZINC000072169017 175382441 /nfs/dbraw/zinc/38/24/41/175382441.db2.gz OGGMALXWCJQFQR-UHFFFAOYSA-N 0 0 225.251 2.405 50 0 BEAARN COc1cncc(NC(=O)OC(C)(C)C)c1 ZINC000034546527 175386547 /nfs/dbraw/zinc/38/65/47/175386547.db2.gz FUSHCJZMKFNATD-UHFFFAOYSA-N 0 0 224.260 2.437 50 0 BEAARN COc1nc2cc(C)ccc2cc1C=O ZINC000000269847 175396650 /nfs/dbraw/zinc/39/66/50/175396650.db2.gz LBIQZUVODDEHLU-UHFFFAOYSA-N 0 0 201.225 2.364 50 0 BEAARN COc1ncc(-c2ccc(F)cc2F)cn1 ZINC000074938353 175397245 /nfs/dbraw/zinc/39/72/45/175397245.db2.gz GAGSISVVAREXJB-UHFFFAOYSA-N 0 0 222.194 2.430 50 0 BEAARN COc1ncc(-c2ccccc2C)c(OC)n1 ZINC000032587165 175397363 /nfs/dbraw/zinc/39/73/63/175397363.db2.gz BATAKBLMEZJDFD-UHFFFAOYSA-N 0 0 230.267 2.469 50 0 BEAARN COc1ncc2scc(Br)c2n1 ZINC000091692063 175401144 /nfs/dbraw/zinc/40/11/44/175401144.db2.gz QCMVNUJADNUTBT-UHFFFAOYSA-N 0 0 245.101 2.462 50 0 BEAARN COc1nccc(NC(=O)C(C)(C)C)c1OC ZINC000035270567 175403482 /nfs/dbraw/zinc/40/34/82/175403482.db2.gz OUTSFDFEIXJCRA-UHFFFAOYSA-N 0 0 238.287 2.083 50 0 BEAARN CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000154122 175438123 /nfs/dbraw/zinc/43/81/23/175438123.db2.gz DNWUINQASFDJJS-UHFFFAOYSA-N 0 0 225.096 2.397 50 0 BEAARN CSC(C)(C)CNC(=O)Nc1cccnc1 ZINC000096434106 175442019 /nfs/dbraw/zinc/44/20/19/175442019.db2.gz QIIZUGZFFIHVON-UHFFFAOYSA-N 0 0 239.344 2.345 50 0 BEAARN CSC1(C(=O)Nc2cc(C)ns2)CC1 ZINC000188153404 175445103 /nfs/dbraw/zinc/44/51/03/175445103.db2.gz TUEDEFYBBCLWPX-UHFFFAOYSA-N 0 0 228.342 2.286 50 0 BEAARN CS[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC000096119992 175568134 /nfs/dbraw/zinc/56/81/34/175568134.db2.gz DURLHEPLJGOUBM-ZWNMCFTASA-N 0 0 237.324 2.257 50 0 BEAARN CSc1nnnn1-c1cccc(C)c1C ZINC000060594816 175592557 /nfs/dbraw/zinc/59/25/57/175592557.db2.gz CLVRKDZSFHLOPJ-UHFFFAOYSA-N 0 0 220.301 2.001 50 0 BEAARN CSc1nnc2c(n1)[nH]c1ccccc12 ZINC000018142770 175592645 /nfs/dbraw/zinc/59/26/45/175592645.db2.gz CTOXAONEYODXLL-UHFFFAOYSA-N 0 0 216.269 2.228 50 0 BEAARN C[C@@H](Cc1ccoc1)NC(=O)c1ccoc1 ZINC000084835332 175776564 /nfs/dbraw/zinc/77/65/64/175776564.db2.gz BDURHRXQEMKCKT-VIFPVBQESA-N 0 0 219.240 2.234 50 0 BEAARN C[C@@H](NC(=O)C1CCC1)c1ccccn1 ZINC000015480546 175827480 /nfs/dbraw/zinc/82/74/80/175827480.db2.gz NCIQQQKLPZGKMV-SECBINFHSA-N 0 0 204.273 2.059 50 0 BEAARN C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)C1CC1 ZINC000039527618 175843832 /nfs/dbraw/zinc/84/38/32/175843832.db2.gz LZWVPAOYWQMHDQ-MFKMUULPSA-N 0 0 245.322 2.152 50 0 BEAARN C[C@@H](NC(=O)c1ccco1)c1ccccn1 ZINC000028781049 175850948 /nfs/dbraw/zinc/85/09/48/175850948.db2.gz AUYZDLOEECPEPN-SECBINFHSA-N 0 0 216.240 2.166 50 0 BEAARN C[C@@H](Nc1ncccn1)c1ccc2c(c1)OCO2 ZINC000058368050 175937882 /nfs/dbraw/zinc/93/78/82/175937882.db2.gz JJEGVYTXKKLKMD-SECBINFHSA-N 0 0 243.266 2.378 50 0 BEAARN C[C@@H](O)c1nc2cc(Cl)ccc2n1C ZINC000040417035 176000901 /nfs/dbraw/zinc/00/09/01/176000901.db2.gz STBMZERUSIPFTB-ZCFIWIBFSA-N 0 0 210.664 2.280 50 0 BEAARN C[C@@H](OC(=O)[C@H]1CCCCN1C)c1cccnc1 ZINC000095962716 176001823 /nfs/dbraw/zinc/00/18/23/176001823.db2.gz HUKXNULISVPKPZ-DGCLKSJQSA-N 0 0 248.326 2.170 50 0 BEAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000001125332 176003814 /nfs/dbraw/zinc/00/38/14/176003814.db2.gz AEEATZXNBFBGAS-SECBINFHSA-N 0 0 221.300 2.237 50 0 BEAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000049890867 176004295 /nfs/dbraw/zinc/00/42/95/176004295.db2.gz LCUFKBIHAOCTGE-SNVBAGLBSA-N 0 0 237.274 2.215 50 0 BEAARN C[C@@H](SC[C@H](O)CO)c1c(F)cccc1F ZINC000089904503 176008959 /nfs/dbraw/zinc/00/89/59/176008959.db2.gz OAYPLTBJUMHENG-HTQZYQBOSA-N 0 0 248.294 2.112 50 0 BEAARN C[C@@H](S[C@H](C)c1ccccc1F)C(N)=O ZINC000048681397 176009018 /nfs/dbraw/zinc/00/90/18/176009018.db2.gz JHDFKNYBYMQRGO-HTQZYQBOSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@@H](Sc1ccccc1)C(=O)NC1CC1 ZINC000000309308 176009402 /nfs/dbraw/zinc/00/94/02/176009402.db2.gz XEPXOKZIPVNWEW-SECBINFHSA-N 0 0 221.325 2.446 50 0 BEAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cnccn1 ZINC000032721754 176019443 /nfs/dbraw/zinc/01/94/43/176019443.db2.gz FMTNDULSDHPHLM-NSHDSACASA-N 0 0 241.294 2.310 50 0 BEAARN C[C@@H]1CCCCN1C(=O)NCC[C@@H]1CCCO1 ZINC000071925624 176068528 /nfs/dbraw/zinc/06/85/28/176068528.db2.gz JDBYKZAQKFGNDU-NEPJUHHUSA-N 0 0 240.347 2.140 50 0 BEAARN C[C@@H]1CCCCN1C(=O)c1ccnc(N(C)C)c1 ZINC000040088442 176069272 /nfs/dbraw/zinc/06/92/72/176069272.db2.gz MOVMAPLYZGGFCV-LLVKDONJSA-N 0 0 247.342 2.162 50 0 BEAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003195873 176076082 /nfs/dbraw/zinc/07/60/82/176076082.db2.gz YZJCDAPHRDTDQY-LLVKDONJSA-N 0 0 239.340 2.250 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1 ZINC000004666527 176079828 /nfs/dbraw/zinc/07/98/28/176079828.db2.gz SIJBEDJNWKDAJV-PWSUYJOCSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccn1 ZINC000032841327 176087323 /nfs/dbraw/zinc/08/73/23/176087323.db2.gz QMXQHIZLRAGABF-DGCLKSJQSA-N 0 0 247.342 2.460 50 0 BEAARN C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000012978820 176094564 /nfs/dbraw/zinc/09/45/64/176094564.db2.gz IOQQRVCYVKASMZ-BXUZGUMPSA-N 0 0 245.322 2.249 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccon2)CC1 ZINC000188924998 176122575 /nfs/dbraw/zinc/12/25/75/176122575.db2.gz CCIJOPQVZMTSRE-NXEZZACHSA-N 0 0 222.288 2.373 50 0 BEAARN C[C@@H]1CCN(C(=O)CO[C@@H]2CCCC[C@H]2C)C1 ZINC000339703095 176155176 /nfs/dbraw/zinc/15/51/76/176155176.db2.gz QPZSTHFPNYBBLY-JHJVBQTASA-N 0 0 239.359 2.450 50 0 BEAARN C[C@@H]1CC[C@H]2C(=O)N(Cc3ccco3)C(=O)[C@H]2C1 ZINC000239121191 176237654 /nfs/dbraw/zinc/23/76/54/176237654.db2.gz JMMKPJPQXJTMSO-JLLWLGSASA-N 0 0 247.294 2.201 50 0 BEAARN C[C@@H]1CCc2onc(C(=O)NC3CCCC3)c2C1 ZINC000002803364 176239906 /nfs/dbraw/zinc/23/99/06/176239906.db2.gz YWXPZFJDJDQXJB-SECBINFHSA-N 0 0 248.326 2.472 50 0 BEAARN C[C@@H]1CN(C(=O)/C=C\c2ccccc2)[C@H](C)CO1 ZINC000096305439 176240834 /nfs/dbraw/zinc/24/08/34/176240834.db2.gz ONGFIMHMTAZHPB-WACGGTQYSA-N 0 0 245.322 2.336 50 0 BEAARN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCO1 ZINC000024014494 176253190 /nfs/dbraw/zinc/25/31/90/176253190.db2.gz WTRJNXUHKZCGHT-SECBINFHSA-N 0 0 238.262 2.078 50 0 BEAARN C[C@@H]1CN(Cc2cccc(F)c2)CCO1 ZINC000040479423 176306259 /nfs/dbraw/zinc/30/62/59/176306259.db2.gz SURLLSFQMZLPCF-SNVBAGLBSA-N 0 0 209.264 2.046 50 0 BEAARN C[C@@H]1COCCN1Cc1csc(Cl)n1 ZINC000253393437 176336948 /nfs/dbraw/zinc/33/69/48/176336948.db2.gz DFJSAZZWBOGUAZ-SSDOTTSWSA-N 0 0 232.736 2.017 50 0 BEAARN C[C@@H]1COCCN1Cc1cccc(F)c1F ZINC000046775260 176337916 /nfs/dbraw/zinc/33/79/16/176337916.db2.gz MVOVGZLYJTYBHQ-SECBINFHSA-N 0 0 227.254 2.186 50 0 BEAARN C[C@@H]1CSC(SCc2nccn2C)=N1 ZINC000155541676 176349506 /nfs/dbraw/zinc/34/95/06/176349506.db2.gz ZQXDSPAEPBQVKU-SSDOTTSWSA-N 0 0 227.358 2.145 50 0 BEAARN C[C@@H]1C[C@@H](Sc2nccn2C2CC2)C(=O)O1 ZINC000040489850 176383733 /nfs/dbraw/zinc/38/37/33/176383733.db2.gz UQKIMSPKGOXMOV-VXNVDRBHSA-N 0 0 238.312 2.014 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000012979444 176384302 /nfs/dbraw/zinc/38/43/02/176384302.db2.gz VBUJCSMOXICNDW-SKDRFNHKSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc21 ZINC000032999929 176385188 /nfs/dbraw/zinc/38/51/88/176385188.db2.gz VRHKNDXADWWYPA-KOLCDFICSA-N 0 0 201.269 2.232 50 0 BEAARN C[C@H](CCO)CNC(=O)c1cccc(Cl)c1 ZINC000084637339 176632105 /nfs/dbraw/zinc/63/21/05/176632105.db2.gz NVGQALCBZQMQJC-SECBINFHSA-N 0 0 241.718 2.088 50 0 BEAARN C[C@H](CNC(=O)C1CC1)N(C)c1ccccc1 ZINC000046950961 176671422 /nfs/dbraw/zinc/67/14/22/176671422.db2.gz JDWXLABXSUTCGU-LLVKDONJSA-N 0 0 232.327 2.038 50 0 BEAARN C[C@H](NC(=O)[C@H]1COc2ccccc2C1)C1CC1 ZINC000039527612 176814442 /nfs/dbraw/zinc/81/44/42/176814442.db2.gz LZWVPAOYWQMHDQ-GXFFZTMASA-N 0 0 245.322 2.152 50 0 BEAARN C[C@H](O)[C@H]1CNc2cc(Br)ccc21 ZINC000057219133 177015464 /nfs/dbraw/zinc/01/54/64/177015464.db2.gz BERTXOJABVEMKO-IMTBSYHQSA-N 0 0 242.116 2.339 50 0 BEAARN C[C@H](O)c1cccc(NC(=O)C2CC2)c1 ZINC000035646405 177017048 /nfs/dbraw/zinc/01/70/48/177017048.db2.gz YLYXZFCKSHAXKM-QMMMGPOBSA-N 0 0 205.257 2.088 50 0 BEAARN C[C@H](O)c1nc2cc(Cl)ccc2n1C ZINC000040417034 177018353 /nfs/dbraw/zinc/01/83/53/177018353.db2.gz STBMZERUSIPFTB-LURJTMIESA-N 0 0 210.664 2.280 50 0 BEAARN C[C@H](OCc1ccccc1)C(=O)N1CCCC1 ZINC000002576817 177021719 /nfs/dbraw/zinc/02/17/19/177021719.db2.gz TVZLBOSPKGJOTA-LBPRGKRZSA-N 0 0 233.311 2.214 50 0 BEAARN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)C ZINC000072750054 177023340 /nfs/dbraw/zinc/02/33/40/177023340.db2.gz ROGQFNHUABXLTC-ZETCQYMHSA-N 0 0 245.681 2.335 50 0 BEAARN C[C@H](SC(F)(F)F)C(=O)NCC1CC1 ZINC000040514065 177026389 /nfs/dbraw/zinc/02/63/89/177026389.db2.gz HZXSHVCAPXIBQZ-YFKPBYRVSA-N 0 0 227.251 2.154 50 0 BEAARN C[C@H](c1cccnc1)N(C)Cc1csnn1 ZINC000183718371 177044967 /nfs/dbraw/zinc/04/49/67/177044967.db2.gz ZKYZKNMGCJFXNF-SECBINFHSA-N 0 0 234.328 2.126 50 0 BEAARN C[C@H](c1cccnc1)N(C)Cc1ccc(CO)o1 ZINC000183722839 177045601 /nfs/dbraw/zinc/04/56/01/177045601.db2.gz JULNQDFYQPCWTI-LLVKDONJSA-N 0 0 246.310 2.360 50 0 BEAARN C[C@H](c1ccco1)c1ccc(CCC(N)=O)o1 ZINC000000297058 177049377 /nfs/dbraw/zinc/04/93/77/177049377.db2.gz SQXISITZTPPQBI-SECBINFHSA-N 0 0 233.267 2.442 50 0 BEAARN C[C@H]1C(=O)CCN(C)[C@@H]1c1ccccc1 ZINC000054957084 177056151 /nfs/dbraw/zinc/05/61/51/177056151.db2.gz STSXXDYXEZFGJE-GWCFXTLKSA-N 0 0 203.285 2.268 50 0 BEAARN C[C@H](n1cnnn1)C12CC3CC(CC(C3)C1)C2 ZINC000004327366 177056469 /nfs/dbraw/zinc/05/64/69/177056469.db2.gz CJCYVXLTLSHMKV-TWJXAIAZSA-N 0 0 232.331 2.451 50 0 BEAARN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)C2CC2)C1 ZINC000097138457 177063894 /nfs/dbraw/zinc/06/38/94/177063894.db2.gz LJHHOJBZZCGGLP-IINYFYTJSA-N 0 0 239.359 2.090 50 0 BEAARN C[C@H]1CCCCN1C(=O)c1ccc(N)cc1 ZINC000000106669 177073774 /nfs/dbraw/zinc/07/37/74/177073774.db2.gz IBXPEPBLFYRMOV-JTQLQIEISA-N 0 0 218.300 2.283 50 0 BEAARN C[C@H]1CCCC[C@@]12NC(=S)N(C(C)(C)C)N2 ZINC000000550093 177084930 /nfs/dbraw/zinc/08/49/30/177084930.db2.gz QZZOYHXPHZOAIV-CABZTGNLSA-N 0 0 241.404 2.386 50 0 BEAARN C[C@H]1CCCC[C@H]1OCCSc1c[nH]nn1 ZINC000097014292 177089508 /nfs/dbraw/zinc/08/95/08/177089508.db2.gz BJFHGKOXUHLXHL-VHSXEESVSA-N 0 0 241.360 2.492 50 0 BEAARN C[C@H]1CCC[C@@H](CCn2ncccc2=O)C1 ZINC000195417890 177119361 /nfs/dbraw/zinc/11/93/61/177119361.db2.gz RZIXIEBXGSTWQJ-RYUDHWBXSA-N 0 0 220.316 2.460 50 0 BEAARN C[C@H]1CCC[C@H](NC(=O)c2ccon2)CC1 ZINC000188924402 177136305 /nfs/dbraw/zinc/13/63/05/177136305.db2.gz CCIJOPQVZMTSRE-UWVGGRQHSA-N 0 0 222.288 2.373 50 0 BEAARN C[C@H]1CCN(C(=O)c2ccoc2)CC1(F)F ZINC000336597436 177155501 /nfs/dbraw/zinc/15/55/01/177155501.db2.gz SMGNKAKMBABWOM-QMMMGPOBSA-N 0 0 229.226 2.397 50 0 BEAARN C[C@H]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000218956250 177164066 /nfs/dbraw/zinc/16/40/66/177164066.db2.gz BBHRTIFJOOBMSJ-ZANVPECISA-N 0 0 241.281 2.168 50 0 BEAARN C[C@H]1CCO[C@@H]1C(=O)Nc1ncccc1Cl ZINC000195552813 177178550 /nfs/dbraw/zinc/17/85/50/177178550.db2.gz PNHZRXVYZNPDSK-CBAPKCEASA-N 0 0 240.690 2.099 50 0 BEAARN C[C@@H]1CN(C(=O)C2CCCCC2)C[C@H](C)O1 ZINC000012341482 177213027 /nfs/dbraw/zinc/21/30/27/177213027.db2.gz IUSTWWDPIVXYHN-PHIMTYICSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CN(Cc2cscn2)C[C@H](C)S1 ZINC000098015857 177271028 /nfs/dbraw/zinc/27/10/28/177271028.db2.gz GTUHFJUZVODZDL-DTORHVGOSA-N 0 0 228.386 2.469 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccco2)C1 ZINC000012410438 177312408 /nfs/dbraw/zinc/31/24/08/177312408.db2.gz BAIZGXIYKGQGAN-AOOOYVTPSA-N 0 0 207.273 2.398 50 0 BEAARN C[C@H]1C[C@@H](Nc2ccc(F)cn2)CCO1 ZINC000235658673 177334833 /nfs/dbraw/zinc/33/48/33/177334833.db2.gz SYYZWFAFVALURK-WPRPVWTQSA-N 0 0 210.252 2.200 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000033000202 177339880 /nfs/dbraw/zinc/33/98/80/177339880.db2.gz FXFOWOCDQSUHIW-CABZTGNLSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@H]1C[C@@H]1NC(=O)c1ccc(OCC2CC2)nc1 ZINC000072094945 177349104 /nfs/dbraw/zinc/34/91/04/177349104.db2.gz GPFOJYWBQSDTJK-CABZTGNLSA-N 0 0 246.310 2.009 50 0 BEAARN C[C@H]1C[C@H](C(=O)OC2(C)CCC2)CCC1=O ZINC000095461537 177355186 /nfs/dbraw/zinc/35/51/86/177355186.db2.gz KZHQJEHEUQINIJ-VHSXEESVSA-N 0 0 224.300 2.478 50 0 BEAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc[nH]2)C1 ZINC000032814952 177357782 /nfs/dbraw/zinc/35/77/82/177357782.db2.gz ZITIPAXLPVDORC-UWVGGRQHSA-N 0 0 206.289 2.133 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N1CCN(C)Cc2ccccc21 ZINC000089920451 177376262 /nfs/dbraw/zinc/37/62/62/177376262.db2.gz VSPNQOVMEANQFU-WCQYABFASA-N 0 0 244.338 2.121 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000033000208 177376348 /nfs/dbraw/zinc/37/63/48/177376348.db2.gz FXFOWOCDQSUHIW-JOYOIKCWSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@H](CCc1ccco1)NC(=O)[C@@H]1C[C@@H]1C ZINC000105882405 177377064 /nfs/dbraw/zinc/37/70/64/177377064.db2.gz CHCUSMVCAWIIQG-HOSYDEDBSA-N 0 0 221.300 2.373 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)c1cnsn1 ZINC000000151304 177390265 /nfs/dbraw/zinc/39/02/65/177390265.db2.gz NOPFECZNCQVMPR-QMMMGPOBSA-N 0 0 245.307 2.130 50 0 BEAARN C[C@H]1Oc2ccccc2O[C@@]1(O)c1ccccn1 ZINC000000041336 177411705 /nfs/dbraw/zinc/41/17/05/177411705.db2.gz AUKQTOHWBPYLGE-QMTHXVAHSA-N 0 0 243.262 2.087 50 0 BEAARN Cc1[nH]ccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000089536778 177521777 /nfs/dbraw/zinc/52/17/77/177521777.db2.gz UDWXGBZWWAUWHC-CHWSQXEVSA-N 0 0 248.326 2.107 50 0 BEAARN Cc1c(C(=O)N(C)Cc2ccsc2)cnn1C ZINC000040025494 177559343 /nfs/dbraw/zinc/55/93/43/177559343.db2.gz ZFZHJLJJWZVYJN-UHFFFAOYSA-N 0 0 249.339 2.062 50 0 BEAARN O=C(O[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000000366763 229353110 /nfs/dbraw/zinc/35/31/10/229353110.db2.gz CIBMJUAZBFVYAB-RYUDHWBXSA-N 0 0 220.268 2.147 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(F)cc(F)c1 ZINC000013004349 487689103 /nfs/dbraw/zinc/68/91/03/487689103.db2.gz ZEBBQXRYKLHOMH-SSDOTTSWSA-N 0 0 213.227 2.493 50 0 BEAARN COC(CC[C@H]1CC(=O)CC1(C)C)OC ZINC000045071805 262790476 /nfs/dbraw/zinc/79/04/76/262790476.db2.gz ILBBFBXUEPEHLR-VIFPVBQESA-N 0 0 214.305 2.391 50 0 BEAARN Cc1ncsc1C(=O)N(C)Cc1cccnc1 ZINC000046736547 487711769 /nfs/dbraw/zinc/71/17/69/487711769.db2.gz PEEVOQSZTPUPBL-UHFFFAOYSA-N 0 0 247.323 2.119 50 0 BEAARN Cc1nnsc1C(=O)NC1CCCCCC1 ZINC000007002596 487765275 /nfs/dbraw/zinc/76/52/75/487765275.db2.gz WWDBTNPQCDGBBO-UHFFFAOYSA-N 0 0 239.344 2.299 50 0 BEAARN CC(=O)CSCc1cn2ccccc2n1 ZINC000081272925 487778145 /nfs/dbraw/zinc/77/81/45/487778145.db2.gz YJPBMDRVVCMGHS-UHFFFAOYSA-N 0 0 220.297 2.157 50 0 BEAARN Cc1nc(Br)nn1CCC(C)C ZINC000066442604 322947831 /nfs/dbraw/zinc/94/78/31/322947831.db2.gz XJECLEDZLMXSSF-UHFFFAOYSA-N 0 0 232.125 2.395 50 0 BEAARN CCOc1ncccc1NC(=O)N1CCCC1 ZINC000048207369 487890896 /nfs/dbraw/zinc/89/08/96/487890896.db2.gz UXSCQUNGKIOXHG-UHFFFAOYSA-N 0 0 235.287 2.108 50 0 BEAARN Cc1nc(COC(=O)c2ccc(C)nc2)oc1C ZINC000048309106 487897585 /nfs/dbraw/zinc/89/75/85/487897585.db2.gz PGQBTJCQOYHFKA-UHFFFAOYSA-N 0 0 246.266 2.352 50 0 BEAARN Fc1cc(Br)cc2c1C[NH2+]C2 ZINC000059702894 487917343 /nfs/dbraw/zinc/91/73/43/487917343.db2.gz ZOJUKIHIUSKTED-UHFFFAOYSA-N 0 0 216.053 2.191 50 0 BEAARN Cc1ccoc1C(=O)O[C@@H](C)Cn1cccn1 ZINC000083792779 487936299 /nfs/dbraw/zinc/93/62/99/487936299.db2.gz DYKFDJYIWAYABN-JTQLQIEISA-N 0 0 234.255 2.030 50 0 BEAARN C[C@H](Cn1cccn1)OC(=O)c1cccs1 ZINC000083798602 487936347 /nfs/dbraw/zinc/93/63/47/487936347.db2.gz VIUQGXWZXLZDDW-SECBINFHSA-N 0 0 236.296 2.190 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000049122892 487943171 /nfs/dbraw/zinc/94/31/71/487943171.db2.gz UYJAWTNWITUSQU-PSASIEDQSA-N 0 0 233.315 2.369 50 0 BEAARN CCOC(=O)C(C)(C)[C@H](O)c1ccccc1 ZINC000005324994 487950613 /nfs/dbraw/zinc/95/06/13/487950613.db2.gz OJOQOQPPMWKWGZ-LLVKDONJSA-N 0 0 222.284 2.309 50 0 BEAARN COc1ccc(-n2cnc(Cl)c2C=O)cc1 ZINC000040150495 323086497 /nfs/dbraw/zinc/08/64/97/323086497.db2.gz OOWBIZOTRWHIBR-UHFFFAOYSA-N 0 0 236.658 2.347 50 0 BEAARN c1cc2cccc(-c3cnn4cccnc34)n2n1 ZINC000534577715 323153887 /nfs/dbraw/zinc/15/38/87/323153887.db2.gz DGHSCHQDLUMVBI-UHFFFAOYSA-N 0 0 235.250 2.044 50 0 BEAARN Cc1ccnc(CC(=O)NCC2(C(C)C)CC2)c1 ZINC000534589547 323154418 /nfs/dbraw/zinc/15/44/18/323154418.db2.gz OVYNYTYXUCPDOG-UHFFFAOYSA-N 0 0 246.354 2.485 50 0 BEAARN COc1ccc(-c2cnn3ccccc23)cn1 ZINC000534666522 323158373 /nfs/dbraw/zinc/15/83/73/323158373.db2.gz RPNORCYRLJUMNT-UHFFFAOYSA-N 0 0 225.251 2.405 50 0 BEAARN COCCOc1ccc(-c2c[nH]c(C)n2)cc1 ZINC000534670923 323158790 /nfs/dbraw/zinc/15/87/90/323158790.db2.gz KCEHXRDZFAAAHB-UHFFFAOYSA-N 0 0 232.283 2.410 50 0 BEAARN CC(=O)OCC[C@H](C)CC/C=C(\C)CO ZINC000038974777 323236462 /nfs/dbraw/zinc/23/64/62/323236462.db2.gz GBIQYPYLPUCGRZ-VUUNSECVSA-N 0 0 214.305 2.295 50 0 BEAARN CCOC(=O)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000043198970 323236746 /nfs/dbraw/zinc/23/67/46/323236746.db2.gz XMLSLHNKCHYIOP-OLZOCXBDSA-N 0 0 234.295 2.236 50 0 BEAARN O[C@H]1C=CCC2(CCCC2)[C@]12CCCO2 ZINC000043198879 323236870 /nfs/dbraw/zinc/23/68/70/323236870.db2.gz YJIXCWYIXRYXMS-AAEUAGOBSA-N 0 0 208.301 2.417 50 0 BEAARN Cc1occc1SCCCCC(N)=O ZINC000131467583 325154116 /nfs/dbraw/zinc/15/41/16/325154116.db2.gz BGRSIXYZDKLNNY-UHFFFAOYSA-N 0 0 213.302 2.336 50 0 BEAARN CCN(C)C(=O)Nc1cc(OC)ccc1F ZINC000088406380 325655666 /nfs/dbraw/zinc/65/56/66/325655666.db2.gz QCNOBSGXIZGIIG-UHFFFAOYSA-N 0 0 226.251 2.318 50 0 BEAARN C=CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000037002464 488001924 /nfs/dbraw/zinc/00/19/24/488001924.db2.gz WIXIMIANLOKFGF-UHFFFAOYSA-N 0 0 239.658 2.236 50 0 BEAARN C=CCCC(=O)[C@H](CC=C)C(=O)OCC ZINC000038812547 488009579 /nfs/dbraw/zinc/00/95/79/488009579.db2.gz ZWFSTLNQRMSFCE-JTQLQIEISA-N 0 0 210.273 2.277 50 0 BEAARN CCCCNC(=O)c1cccc(OC)c1 ZINC000002741974 488009818 /nfs/dbraw/zinc/00/98/18/488009818.db2.gz MAWFHMSYICLJIM-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN C[C@H](Oc1ccccc1C(N)=O)C(F)(F)F ZINC000084139729 488013964 /nfs/dbraw/zinc/01/39/64/488013964.db2.gz IRSTUQFWAGUUKP-LURJTMIESA-N 0 0 233.189 2.115 50 0 BEAARN O=C(c1ccncc1Cl)C(F)(F)F ZINC000091355987 488030319 /nfs/dbraw/zinc/03/03/19/488030319.db2.gz ICCNDTGRGXLQCF-UHFFFAOYSA-N 0 0 209.554 2.480 50 0 BEAARN Cc1nc(CCCSc2c[nH]nn2)cs1 ZINC000091587999 488056842 /nfs/dbraw/zinc/05/68/42/488056842.db2.gz JMLTXAUZYWYSMO-UHFFFAOYSA-N 0 0 240.357 2.295 50 0 BEAARN CO[C@H](C)c1noc([C@@H]2COc3ccccc32)n1 ZINC000084667790 488078441 /nfs/dbraw/zinc/07/84/41/488078441.db2.gz VEYHECKATYNYDD-PSASIEDQSA-N 0 0 246.266 2.301 50 0 BEAARN CO[C@H](C)c1noc([C@H]2COc3ccccc32)n1 ZINC000084667793 488078136 /nfs/dbraw/zinc/07/81/36/488078136.db2.gz VEYHECKATYNYDD-SCZZXKLOSA-N 0 0 246.266 2.301 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCc1cccc(N(C)C)c1 ZINC000084686922 488080057 /nfs/dbraw/zinc/08/00/57/488080057.db2.gz BHOUCIBMVXXFAC-GXFFZTMASA-N 0 0 232.327 2.025 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)c(N(C)C)c1 ZINC000084793845 488098498 /nfs/dbraw/zinc/09/84/98/488098498.db2.gz LHEBBWJRBSZEOZ-AAEUAGOBSA-N 0 0 246.354 2.333 50 0 BEAARN C[Si](C)(C)C[C@]1(Cl)C(=O)[C@@H]2CCC[C@@]21O ZINC000169829328 487548307 /nfs/dbraw/zinc/54/83/07/487548307.db2.gz JUCGQIIAFTUKIE-INTQDDNPSA-N 0 0 246.810 2.416 50 0 BEAARN CCc1cnc(C)nc1NCCc1nccs1 ZINC000670448166 487497749 /nfs/dbraw/zinc/49/77/49/487497749.db2.gz NOEBXTGFAKJLJW-UHFFFAOYSA-N 0 0 248.355 2.459 50 0 BEAARN CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC000670456405 487509292 /nfs/dbraw/zinc/50/92/92/487509292.db2.gz XURSRISOIKJHMU-ITGUQSILSA-N 0 0 235.327 2.121 50 0 BEAARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)C1CC=CC1 ZINC000670461980 487515910 /nfs/dbraw/zinc/51/59/10/487515910.db2.gz ZYKJFWYHGAMSNC-QMMMGPOBSA-N 0 0 233.315 2.170 50 0 BEAARN CN(C)c1nccc(N(C)CC(C)(C)C)n1 ZINC000077215732 488159269 /nfs/dbraw/zinc/15/92/69/488159269.db2.gz DCPOQPBBFLFVEH-UHFFFAOYSA-N 0 0 222.336 2.025 50 0 BEAARN CN(C)c1ccc(C=O)cc1Br ZINC000001583080 490040946 /nfs/dbraw/zinc/04/09/46/490040946.db2.gz VWOYSIGIEVHTRQ-UHFFFAOYSA-N 0 0 228.089 2.328 50 0 in-vitro BEAARN CC(C)C[C@H]1N=C(c2ccccc2)OC1=O ZINC000004266963 490042768 /nfs/dbraw/zinc/04/27/68/490042768.db2.gz OPHIINOMBFPLBL-LLVKDONJSA-N 0 0 217.268 2.405 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)CCOc1ccccc1 ZINC000078536727 488211908 /nfs/dbraw/zinc/21/19/08/488211908.db2.gz ABSMQPPSBRUITQ-YPMHNXCESA-N 0 0 233.311 2.180 50 0 BEAARN CC(C)CN(CC(C)C)C(=O)NC1CC1 ZINC000084511031 488222766 /nfs/dbraw/zinc/22/27/66/488222766.db2.gz AVEWHVDLCFTLNJ-UHFFFAOYSA-N 0 0 212.337 2.472 50 0 BEAARN CCOc1ccc2cc(C(=O)N(C)C)[nH]c2c1 ZINC000048313782 490177482 /nfs/dbraw/zinc/17/74/82/490177482.db2.gz UDOGYMBHOCWHML-UHFFFAOYSA-N 0 0 232.283 2.268 50 0 BEAARN C[C@H](NC(=O)c1cccc(F)c1)[C@H]1CCCO1 ZINC000006726266 490250126 /nfs/dbraw/zinc/25/01/26/490250126.db2.gz ABYJVNLSKNKHGF-JOYOIKCWSA-N 0 0 237.274 2.123 50 0 BEAARN COc1nc(C)c(C(C)=O)cc1Br ZINC000071788995 490278107 /nfs/dbraw/zinc/27/81/07/490278107.db2.gz ISOWAXNWRAJQDT-UHFFFAOYSA-N 0 0 244.088 2.364 50 0 BEAARN Cc1cncc(N2CCC(F)(F)[C@H](C)C2)n1 ZINC000335165101 490281605 /nfs/dbraw/zinc/28/16/05/490281605.db2.gz BMFJJTIOJRNOOW-MRVPVSSYSA-N 0 0 227.258 2.267 50 0 BEAARN C[NH+](C)[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000074181514 490299520 /nfs/dbraw/zinc/29/95/20/490299520.db2.gz PSNMTLWWWOSUDP-NSHDSACASA-N 0 0 207.273 2.154 50 0 BEAARN COC(=O)[C@@H](NCc1occc1C)C(C)(C)C ZINC000097162284 490326200 /nfs/dbraw/zinc/32/62/00/490326200.db2.gz MXRKSJSMPOHDGN-LLVKDONJSA-N 0 0 239.315 2.265 50 0 BEAARN CCc1nsc(N(C)Cc2ccns2)n1 ZINC000585092529 491075521 /nfs/dbraw/zinc/07/55/21/491075521.db2.gz CPQQXPZCOXUPAG-UHFFFAOYSA-N 0 0 240.357 2.193 50 0 BEAARN CCO[C@H](C)C(=O)N1CCC[C@@H](CC)C1 ZINC000040534000 517716892 /nfs/dbraw/zinc/71/68/92/517716892.db2.gz KQPNHULJUJXFBJ-GHMZBOCLSA-N 0 0 213.321 2.060 50 0 BEAARN Cc1cc(N)n(-c2ncc(Cl)cc2Cl)n1 ZINC000026512326 518187542 /nfs/dbraw/zinc/18/75/42/518187542.db2.gz BZCINBYCHDTHRP-UHFFFAOYSA-N 0 0 243.097 2.465 50 0 BEAARN CC(C)(C)[C@H]1C[C@@H]2C[C@@H](CO)C[C@H](C1)[C@@H]2O ZINC000253623369 518981672 /nfs/dbraw/zinc/98/16/72/518981672.db2.gz LOIWTPLUDGDWQK-FOPUMGAHSA-N 0 0 226.360 2.438 50 0 BEAARN CCCNC(=O)CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000241170936 519877390 /nfs/dbraw/zinc/87/73/90/519877390.db2.gz KCYFXQCUXXEMER-WFASDCNBSA-N 0 0 246.354 2.206 50 0 BEAARN CCOC(=O)CCCn1ccc(C2CC2)n1 ZINC000012396231 520664424 /nfs/dbraw/zinc/66/44/24/520664424.db2.gz IQNWCBRQICTPDN-UHFFFAOYSA-N 0 0 222.288 2.104 50 0 BEAARN CCOc1ccccc1OCCN1CCCC1=O ZINC000057537781 521564394 /nfs/dbraw/zinc/56/43/94/521564394.db2.gz XYPUTTBVPBIPTQ-UHFFFAOYSA-N 0 0 249.310 2.087 50 0 BEAARN CCOc1ccccc1OCc1nc(C)no1 ZINC000069811431 521567969 /nfs/dbraw/zinc/56/79/69/521567969.db2.gz SCDSMOHLFFTMQK-UHFFFAOYSA-N 0 0 234.255 2.356 50 0 BEAARN CC(C)(C)N1CNC(=S)N(c2ccccc2)C1 ZINC000022634142 534671078 /nfs/dbraw/zinc/67/10/78/534671078.db2.gz GYGXMZPXFPPMNH-UHFFFAOYSA-N 0 0 249.383 2.397 50 0 BEAARN CCc1cc(Br)c(C)nc1N ZINC000145982538 523744475 /nfs/dbraw/zinc/74/44/75/523744475.db2.gz NKZWFTVDSOFZLY-UHFFFAOYSA-N 0 0 215.094 2.297 50 0 BEAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@H]1C[C@H]1C ZINC000246724995 524643454 /nfs/dbraw/zinc/64/34/54/524643454.db2.gz UAAQTDBOUWOZSO-RFHZTLPTSA-N 0 0 247.338 2.271 50 0 BEAARN C[C@@H](CNc1ncccc1F)Cn1cccn1 ZINC000091432206 524763336 /nfs/dbraw/zinc/76/33/36/524763336.db2.gz OHFRQMXZSSHRKX-JTQLQIEISA-N 0 0 234.278 2.165 50 0 BEAARN Cc1ccccc1OCCN(C)c1nncs1 ZINC000079064180 525298306 /nfs/dbraw/zinc/29/83/06/525298306.db2.gz YNXQIBDWRVWKJO-UHFFFAOYSA-N 0 0 249.339 2.362 50 0 BEAARN C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000246692685 525324666 /nfs/dbraw/zinc/32/46/66/525324666.db2.gz ALXGHPFSYFYVNK-ZRJCITRHSA-N 0 0 244.338 2.498 50 0 BEAARN CSCC(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000246535898 525357965 /nfs/dbraw/zinc/35/79/65/525357965.db2.gz JCOXCATWCBUZFZ-JMJZKYOTSA-N 0 0 244.356 2.096 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)CCOCc1ccccc1 ZINC000089920366 525472462 /nfs/dbraw/zinc/47/24/62/525472462.db2.gz HZJACYYELBSWER-TZMCWYRMSA-N 0 0 247.338 2.318 50 0 BEAARN Cc1cc(C(=O)N(CC2CC2)CC2CC2)on1 ZINC000078733136 526231082 /nfs/dbraw/zinc/23/10/82/526231082.db2.gz ONAIHNPVDBCBMQ-UHFFFAOYSA-N 0 0 234.299 2.245 50 0 BEAARN O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@@H]1c1ccco1 ZINC000089794477 526382558 /nfs/dbraw/zinc/38/25/58/526382558.db2.gz QIEGNWXQQIJIHU-SRVKXCTJSA-N 0 0 249.310 2.068 50 0 BEAARN Cc1nc(CNC(=O)CCCC(C)(C)C)no1 ZINC000071914416 526875816 /nfs/dbraw/zinc/87/58/16/526875816.db2.gz BACDLFKATIJJPL-UHFFFAOYSA-N 0 0 239.319 2.211 50 0 BEAARN O=C(NCCCCn1ccnc1)c1cccs1 ZINC000025990984 527654941 /nfs/dbraw/zinc/65/49/41/527654941.db2.gz JADYERCEZASDCW-UHFFFAOYSA-N 0 0 249.339 2.155 50 0 BEAARN CCOCCC(=O)N1CCCc2ccccc21 ZINC000020169124 535450317 /nfs/dbraw/zinc/45/03/17/535450317.db2.gz GXVJHEVCTFHYPG-UHFFFAOYSA-N 0 0 233.311 2.392 50 0 BEAARN CCOC(=O)C1CCN(c2cccc(C)n2)CC1 ZINC000005092675 535603636 /nfs/dbraw/zinc/60/36/36/535603636.db2.gz XYMNCUQCVPVTPW-UHFFFAOYSA-N 0 0 248.326 2.170 50 0 BEAARN CN1CC[C@@H](N2CCCC2=O)c2ccccc21 ZINC000005328870 536451758 /nfs/dbraw/zinc/45/17/58/536451758.db2.gz IGIHGYKGRCPZCF-CYBMUJFWSA-N 0 0 230.311 2.190 50 0 BEAARN COC(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000171484270 536599206 /nfs/dbraw/zinc/59/92/06/536599206.db2.gz KNVOIYWTHCLFOI-UHFFFAOYSA-N 0 0 248.307 2.381 50 0 BEAARN COC1CCN(c2ccc(O)cc2)CC1 ZINC000261494203 536758140 /nfs/dbraw/zinc/75/81/40/536758140.db2.gz RVDCZEPVPBDGKO-UHFFFAOYSA-N 0 0 207.273 2.007 50 0 BEAARN COc1cccc2c1N(C(=O)C1CC1)CCC2 ZINC000008783039 536957564 /nfs/dbraw/zinc/95/75/64/536957564.db2.gz QJFXHRXVWBSPJN-UHFFFAOYSA-N 0 0 231.295 2.384 50 0 BEAARN COC[C@@H](C)C(=O)Nc1cccc(C)c1C(C)=O ZINC000097103701 566294201 /nfs/dbraw/zinc/29/42/01/566294201.db2.gz JSWVDGIRHZMDOF-SNVBAGLBSA-N 0 0 249.310 2.419 50 0 BEAARN CC[C@@H]1Oc2cc(OC)cc(OC)c2C1=O ZINC000113208633 588827077 /nfs/dbraw/zinc/82/70/77/588827077.db2.gz LUIRBFOSNFMWBN-QMMMGPOBSA-N 0 0 222.240 2.058 50 0 BEAARN Cc1ccc(Cl)cc1[C@@H]1C[NH2+]C[C@H]1C(=O)[O-] ZINC000757193421 582557481 /nfs/dbraw/zinc/55/74/81/582557481.db2.gz PBROJHRCSVDVLL-WDEREUQCSA-N 0 0 239.702 2.036 50 0 BEAARN C=CC(=O)N1CCc2cc(OCC)ccc2C1 ZINC000888102142 583181537 /nfs/dbraw/zinc/18/15/37/583181537.db2.gz GIAWDAUVLDCOFD-UHFFFAOYSA-N 0 0 231.295 2.156 50 0 BEAARN C=CC(=O)N1CCC[C@H](COc2ccccc2)C1 ZINC000888102109 583181919 /nfs/dbraw/zinc/18/19/19/583181919.db2.gz AYDJGCZLOLSNMJ-ZDUSSCGKSA-N 0 0 245.322 2.490 50 0 BEAARN Cc1noc(-c2nc(-c3ccc(F)cc3)no2)n1 ZINC000888104928 583185035 /nfs/dbraw/zinc/18/50/35/583185035.db2.gz PWRPWHNKONYGGG-UHFFFAOYSA-N 0 0 246.201 2.234 50 0 BEAARN C=CC(=O)N1CCSC[C@H]1c1ccccc1 ZINC000791366115 585978649 /nfs/dbraw/zinc/97/86/49/585978649.db2.gz HCGLMAGPNQJADP-LBPRGKRZSA-N 0 0 233.336 2.489 50 0 BEAARN C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000859805807 589062119 /nfs/dbraw/zinc/06/21/19/589062119.db2.gz BGVAUJWSDZPAIM-ADEWGFFLSA-N 0 0 225.332 2.408 50 0 BEAARN COCCCOC(=O)c1ccc(C2CC2)nc1C ZINC000821621422 587132978 /nfs/dbraw/zinc/13/29/78/587132978.db2.gz RTGUGHBBLZVRNO-UHFFFAOYSA-N 0 0 249.310 2.461 50 0 BEAARN C=CC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000848978986 588422703 /nfs/dbraw/zinc/42/27/03/588422703.db2.gz GBTDCKIPILNTSR-TZMCWYRMSA-N 0 0 249.285 2.348 50 0 BEAARN C=CC(=O)N1CCCc2cc(OC)ccc2C1 ZINC000848979362 588423091 /nfs/dbraw/zinc/42/30/91/588423091.db2.gz UOPIRZYEQBZSED-UHFFFAOYSA-N 0 0 231.295 2.156 50 0 BEAARN C=CC(=O)N1CCCc2c(F)cccc21 ZINC000848979179 588423106 /nfs/dbraw/zinc/42/31/06/588423106.db2.gz IBEAAINFKREFRA-UHFFFAOYSA-N 0 0 205.232 2.291 50 0 BEAARN C=CC(=O)Nc1cc(-c2ccco2)no1 ZINC000863970868 589328913 /nfs/dbraw/zinc/32/89/13/589328913.db2.gz XSQXVVUOAWCODV-UHFFFAOYSA-N 0 0 204.185 2.059 50 0 BEAARN C=CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000863971263 589330303 /nfs/dbraw/zinc/33/03/03/589330303.db2.gz MCEFGQLVVCMVHN-STQMWFEESA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)N1CCc2cc(Cl)ccc21 ZINC000863970876 589330312 /nfs/dbraw/zinc/33/03/12/589330312.db2.gz YMKKDNPVLRPCLR-UHFFFAOYSA-N 0 0 207.660 2.415 50 0 BEAARN C=CC(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000863971264 589330327 /nfs/dbraw/zinc/33/03/27/589330327.db2.gz MCPWFMFQLWAWMB-UHFFFAOYSA-N 0 0 249.285 2.382 50 0 BEAARN C=CC(=O)N1CCN(C2CC2)c2c(C)cccc21 ZINC000863971494 589330790 /nfs/dbraw/zinc/33/07/90/589330790.db2.gz VMBDGDGGGXYTMW-UHFFFAOYSA-N 0 0 242.322 2.496 50 0 BEAARN COC(=O)CC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000863981517 589332671 /nfs/dbraw/zinc/33/26/71/589332671.db2.gz FIENCLUMSUSGGW-NSHDSACASA-N 0 0 249.310 2.044 50 0 BEAARN COC(=O)CC(=O)N[C@H](C)c1cccc(C)c1C ZINC000863981516 589332816 /nfs/dbraw/zinc/33/28/16/589332816.db2.gz FIENCLUMSUSGGW-LLVKDONJSA-N 0 0 249.310 2.044 50 0 BEAARN CCn1cccc(NCc2csc(C)n2)c1=O ZINC000870999849 589707732 /nfs/dbraw/zinc/70/77/32/589707732.db2.gz QZSCFUMUJVBBCP-UHFFFAOYSA-N 0 0 249.339 2.245 50 0 BEAARN CC(C)c1cc(N(C)Cc2ncccn2)ncn1 ZINC000871596525 589771433 /nfs/dbraw/zinc/77/14/33/589771433.db2.gz NFKCGYYMYPNBPN-UHFFFAOYSA-N 0 0 243.314 2.026 50 0 BEAARN CNc1nc2cc(Br)ccc2[nH]1 ZINC000082740686 634541944 /nfs/dbraw/zinc/54/19/44/634541944.db2.gz DFRSYVJABDOPAN-UHFFFAOYSA-N 0 0 226.077 2.367 50 0 BEAARN Fc1ccccc1CCOc1cccnn1 ZINC000888095842 635368939 /nfs/dbraw/zinc/36/89/39/635368939.db2.gz CKWRCBHZGQMVBB-UHFFFAOYSA-N 0 0 218.231 2.237 50 0 BEAARN C=CC(=O)Nc1cc(Cl)cc2c1OCC2 ZINC000888098370 635375599 /nfs/dbraw/zinc/37/55/99/635375599.db2.gz ACMHGRDADJEJDT-UHFFFAOYSA-N 0 0 223.659 2.399 50 0 BEAARN CCC1(C(=O)Nc2ccc(N)nc2)CCC1 ZINC000097019634 631231858 /nfs/dbraw/zinc/23/18/58/631231858.db2.gz VHDPNIZZGKHBOY-UHFFFAOYSA-N 0 0 219.288 2.183 50 0 BEAARN O=c1[nH]c(=S)c2c(n1Cc1ccco1)CCC2 ZINC000000032922 631288251 /nfs/dbraw/zinc/28/82/51/631288251.db2.gz KYIOHABDEFMALP-UHFFFAOYSA-N 0 0 248.307 2.036 50 0 BEAARN CCc1nc(-c2cc(F)c(F)c(F)c2)n(C)n1 ZINC000426410706 635709097 /nfs/dbraw/zinc/70/90/97/635709097.db2.gz NPFWYUREABFKIL-UHFFFAOYSA-N 0 0 241.216 2.462 50 0 BEAARN O=C(/C=C\c1nccs1)NC1CCCC1 ZINC000047410575 635729327 /nfs/dbraw/zinc/72/93/27/635729327.db2.gz SMMUDVXCMPMBGS-WAYWQWQTSA-N 0 0 222.313 2.215 50 0 BEAARN C[C@H](NC(=O)/C=C/c1ccncn1)C(C)(C)C ZINC000095993669 632727887 /nfs/dbraw/zinc/72/78/87/632727887.db2.gz UXDMRENBORVVFP-PORFMDCZSA-N 0 0 233.315 2.041 50 0 BEAARN COCCc1ccc(O)c(C(=O)C(C)C)c1 ZINC000052068517 632787200 /nfs/dbraw/zinc/78/72/00/632787200.db2.gz RSLBNCUUSPAMHD-UHFFFAOYSA-N 0 0 222.284 2.420 50 0 BEAARN C/C(=C/C(=O)Nc1cccnc1)C1CC1 ZINC000048667162 635884845 /nfs/dbraw/zinc/88/48/45/635884845.db2.gz UJMSPNJXNQVLKO-CLFYSBASSA-N 0 0 202.257 2.376 50 0 BEAARN COc1ccccc1/C=C\C=NNC(=O)C1CC1 ZINC000254369180 635135933 /nfs/dbraw/zinc/13/59/33/635135933.db2.gz QTMBIEZOSYYFIR-KWBCJLRZSA-N 0 0 244.294 2.220 50 0 BEAARN O=C1NC(=O)C(=Cc2ccc(F)c(F)c2)S1 ZINC000007337475 635253110 /nfs/dbraw/zinc/25/31/10/635253110.db2.gz OWQKJWJDNJJLHS-YWEYNIOJSA-N 0 0 241.218 2.289 50 0 BEAARN C=CC(=O)N1CC(C)(c2ccccc2F)C1 ZINC000888098368 635376787 /nfs/dbraw/zinc/37/67/87/635376787.db2.gz AAZCCZZRPVXQKH-UHFFFAOYSA-N 0 0 219.259 2.112 50 0 BEAARN CC(C)[C@@H](C(=O)N1CCCC1)n1cccc1 ZINC000888103893 635383633 /nfs/dbraw/zinc/38/36/33/635383633.db2.gz IKAJOTYNIRRKME-LBPRGKRZSA-N 0 0 220.316 2.308 50 0 BEAARN C=CC(=O)NCc1cc(OC)nc2ccccc12 ZINC000863971530 636731938 /nfs/dbraw/zinc/73/19/38/636731938.db2.gz XJHJYQLMMFJXCP-UHFFFAOYSA-N 0 0 242.278 2.046 50 0 BEAARN C=CC(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000863971486 636732333 /nfs/dbraw/zinc/73/23/33/636732333.db2.gz VFEZUZDMSSANJL-CYBMUJFWSA-N 0 0 228.295 2.321 50 0 BEAARN Cc1cc(=O)[nH]c2c1cnn2Cc1ccccc1 ZINC000008763112 636885654 /nfs/dbraw/zinc/88/56/54/636885654.db2.gz NJQHKGVCXFASGF-UHFFFAOYSA-N 0 0 239.278 2.081 50 0 BEAARN COCCOc1ccc(-c2cncc(N)c2)cc1 ZINC000032553524 641370140 /nfs/dbraw/zinc/37/01/40/641370140.db2.gz JMHSEDMHHGLDRZ-UHFFFAOYSA-N 0 0 244.294 2.356 50 0 BEAARN COC(=O)c1cccc(-c2cccc(N)n2)c1 ZINC000032593223 641397090 /nfs/dbraw/zinc/39/70/90/641397090.db2.gz VALRVVPDDAKNOV-UHFFFAOYSA-N 0 0 228.251 2.117 50 0 BEAARN O=C(/C=C\c1ccco1)NCCc1ccccn1 ZINC000097987729 642651881 /nfs/dbraw/zinc/65/18/81/642651881.db2.gz ZIZJXMRCJWRQOF-SREVYHEPSA-N 0 0 242.278 2.047 50 0 BEAARN CSc1ccc2c3c1cccc3C(=O)NC2=O ZINC000000198607 642751512 /nfs/dbraw/zinc/75/15/12/642751512.db2.gz UHDIYYUNKOUCIH-UHFFFAOYSA-N 0 0 243.287 2.445 50 0 BEAARN O=C(OC[C@H]1CCCOC1)c1ccccc1 ZINC000230572006 643635986 /nfs/dbraw/zinc/63/59/86/643635986.db2.gz WENZOXDGFQZGOW-NSHDSACASA-N 0 0 220.268 2.270 50 0 BEAARN O=C([O-])[C@H]1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000074148228 643651054 /nfs/dbraw/zinc/65/10/54/643651054.db2.gz ODFLYTQSBJFZEJ-WDEREUQCSA-N 0 0 211.305 2.020 50 0 BEAARN CN(CC1(CO)CCCC1)C(=O)[C@H]1CC1(C)C ZINC000952972219 644445627 /nfs/dbraw/zinc/44/56/27/644445627.db2.gz JHERKOYQNGSTNB-LLVKDONJSA-N 0 0 239.359 2.044 50 0 BEAARN CCC[C@H](C(=O)NC(C)C)n1cccc1 ZINC000952963006 644447308 /nfs/dbraw/zinc/44/73/08/644447308.db2.gz NEDLTAXYSIDSMJ-LLVKDONJSA-N 0 0 208.305 2.354 50 0 BEAARN Cc1cc(Cl)ccc1CN1C[C@@H](O)[C@H](F)C1 ZINC000952987891 644449134 /nfs/dbraw/zinc/44/91/34/644449134.db2.gz LXAWBPJZSKWXSX-VXGBXAGGSA-N 0 0 243.709 2.163 50 0 BEAARN CCc1nsc(NCc2[nH]c(C)nc2C)n1 ZINC000724672424 711607793 /nfs/dbraw/zinc/60/77/93/711607793.db2.gz HYTIPKAUZWBXSG-UHFFFAOYSA-N 0 0 237.332 2.053 50 0 BEAARN c1ccc2c(c1)snc2N1CCCNC1 ZINC000725327778 710755237 /nfs/dbraw/zinc/75/52/37/710755237.db2.gz CTHCDNGXRRMTHZ-UHFFFAOYSA-N 0 0 219.313 2.054 50 0 BEAARN CC(C)(C)OC(=O)N1CCCc2c[nH]nc21 ZINC000725343288 710755517 /nfs/dbraw/zinc/75/55/17/710755517.db2.gz VUBPSENHUFJDLP-UHFFFAOYSA-N 0 0 223.276 2.097 50 0 BEAARN O[C@@H](c1ccc2c(c1)CCO2)C(F)(F)F ZINC000040245475 1165745483 /nfs/dbraw/zinc/74/54/83/1165745483.db2.gz XPYRQYDOYDXEGZ-VIFPVBQESA-N 0 0 218.174 2.217 50 0 BEAARN COc1c(Cl)cc(C(C)=O)c(O)c1OC ZINC000083165390 1166098033 /nfs/dbraw/zinc/09/80/33/1166098033.db2.gz ZHKDKEOYKNPWQP-UHFFFAOYSA-N 0 0 230.647 2.265 50 0 BEAARN CC(=O)Nc1cccc(Br)c1C=O ZINC001772572486 1166268815 /nfs/dbraw/zinc/26/88/15/1166268815.db2.gz YLLTUNSMXWQTQB-UHFFFAOYSA-N 0 0 242.072 2.220 50 0 BEAARN COc1cc(Cl)c(C=O)nc1Cl ZINC001772572675 1166269046 /nfs/dbraw/zinc/26/90/46/1166269046.db2.gz WRWLVOCWKCISIF-UHFFFAOYSA-N 0 0 206.028 2.210 50 0 BEAARN CCCCSC[C@@H](COC)OC(C)=O ZINC000005102373 1166805343 /nfs/dbraw/zinc/80/53/43/1166805343.db2.gz JIBBIJNKUNEDQY-SNVBAGLBSA-N 0 0 220.334 2.098 50 0 BEAARN CC[C@@H]1CCCN(C(=O)CSCCOC)C1 ZINC000040514177 1166859694 /nfs/dbraw/zinc/85/96/94/1166859694.db2.gz OLIYDUGGFVIBDJ-LLVKDONJSA-N 0 0 245.388 2.015 50 0 BEAARN Cc1[nH][nH]c(=O)c1Cc1ccc(C)c(F)c1 ZINC000117875015 1168331056 /nfs/dbraw/zinc/33/10/56/1168331056.db2.gz IZIWAAJSYJYAOY-UHFFFAOYSA-N 0 0 220.247 2.050 50 0 BEAARN CCCCn1ncnc1-c1n[nH]c(C)c1Cl ZINC000952864712 974060814 /nfs/dbraw/zinc/06/08/14/974060814.db2.gz LGTVNWJZCMAMTI-UHFFFAOYSA-N 0 0 239.710 2.430 50 0 BEAARN Cc1cc(C2(C(=O)N3CCC(C)CC3)CC2)no1 ZINC000409417981 972009920 /nfs/dbraw/zinc/00/99/20/972009920.db2.gz QRAWXSVEISQEKC-UHFFFAOYSA-N 0 0 248.326 2.273 50 0 BEAARN COCCN(C)c1ccc(C(F)(F)F)nc1 ZINC000585132934 972168622 /nfs/dbraw/zinc/16/86/22/972168622.db2.gz HUMUTDHTOSTHBG-UHFFFAOYSA-N 0 0 234.221 2.183 50 0 BEAARN c1ncn(CCOCCSc2ccccc2)n1 ZINC000002845049 958890379 /nfs/dbraw/zinc/89/03/79/958890379.db2.gz FGQFRSCVOCTMHM-UHFFFAOYSA-N 0 0 249.339 2.087 50 0 BEAARN CCCCCOCC(=O)Nc1cnsc1 ZINC000585127050 961862556 /nfs/dbraw/zinc/86/25/56/961862556.db2.gz OYYALGFMCQVNHQ-UHFFFAOYSA-N 0 0 228.317 2.288 50 0 BEAARN Nc1nc2ccc(-c3cncnc3)cc2s1 ZINC000032561821 965504042 /nfs/dbraw/zinc/50/40/42/965504042.db2.gz LRESWXFZHIWGFE-UHFFFAOYSA-N 0 0 228.280 2.336 50 0 BEAARN C[C@@H](NC(=O)c1ccnnc1)C1=CCCCC1 ZINC000820723375 968480544 /nfs/dbraw/zinc/48/05/44/968480544.db2.gz MRBIFTWYGRPZRA-SNVBAGLBSA-N 0 0 231.299 2.095 50 0 BEAARN CC(C)CCc1n[nH]c(CCCc2cn[nH]c2)n1 ZINC000821175196 968485506 /nfs/dbraw/zinc/48/55/06/968485506.db2.gz GUIYSDJFZRZWMW-UHFFFAOYSA-N 0 0 247.346 2.292 50 0 BEAARN CC[C@H](C(=O)NCc1cccs1)[N@H+](C)CC ZINC000822555704 968525674 /nfs/dbraw/zinc/52/56/74/968525674.db2.gz CAHQGVDLDOENOC-LLVKDONJSA-N 0 0 240.372 2.095 50 0 BEAARN Cc1noc(C)c1Cc1nc(-c2ccco2)n[nH]1 ZINC000825306831 968644734 /nfs/dbraw/zinc/64/47/34/968644734.db2.gz WUZBSYKBUVEMHU-UHFFFAOYSA-N 0 0 244.254 2.260 50 0 BEAARN Cc1nc([C@@H](O)C(F)(F)F)c2n1CCCC2 ZINC000828577619 968796249 /nfs/dbraw/zinc/79/62/49/968796249.db2.gz DXAVDYOKDCWNSL-SECBINFHSA-N 0 0 234.221 2.124 50 0 BEAARN CC(C)(C)C(=O)N[C@H]1CCC12CCOCC2 ZINC000585406040 973912340 /nfs/dbraw/zinc/91/23/40/973912340.db2.gz AMHNDBSZEYNNDT-JTQLQIEISA-N 0 0 225.332 2.108 50 0 BEAARN Cc1csc(OC[C@H]2CCCCO2)n1 ZINC000585652630 973916500 /nfs/dbraw/zinc/91/65/00/973916500.db2.gz QNIUVRQKFBOSHC-SECBINFHSA-N 0 0 213.302 2.399 50 0 BEAARN c1ccc2nc(O[C@H]3CCOC3)ccc2c1 ZINC000585650508 973917614 /nfs/dbraw/zinc/91/76/14/973917614.db2.gz APBSXBDTEXXSEU-NSHDSACASA-N 0 0 215.252 2.403 50 0 BEAARN c1ccc2c(c1)ccnc2O[C@@H]1CCOC1 ZINC000585652521 973919093 /nfs/dbraw/zinc/91/90/93/973919093.db2.gz OZRUDBRSHQOWTO-LLVKDONJSA-N 0 0 215.252 2.403 50 0 BEAARN Cc1ccnc(OC[C@H]2CCCCO2)c1 ZINC000585653886 973923978 /nfs/dbraw/zinc/92/39/78/973923978.db2.gz ANJLOVLOFYZMNZ-LLVKDONJSA-N 0 0 207.273 2.338 50 0 BEAARN Cc1cccnc1OCC1CCOCC1 ZINC000585655112 973924924 /nfs/dbraw/zinc/92/49/24/973924924.db2.gz RXFGLKKAYFSDFM-UHFFFAOYSA-N 0 0 207.273 2.195 50 0 BEAARN Cc1ccnc(OC[C@@H]2CCCOC2)c1 ZINC000585654241 973927984 /nfs/dbraw/zinc/92/79/84/973927984.db2.gz FWKPCAOMCHFTBB-LLVKDONJSA-N 0 0 207.273 2.195 50 0 BEAARN Fc1cccnc1OC[C@@H]1CCCOC1 ZINC000585655060 973928862 /nfs/dbraw/zinc/92/88/62/973928862.db2.gz XWQHEPSUUOMYDB-SECBINFHSA-N 0 0 211.236 2.026 50 0 BEAARN C=CC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000952884948 974051720 /nfs/dbraw/zinc/05/17/20/974051720.db2.gz UZKVYHWJRKRVBV-VHSXEESVSA-N 0 0 237.324 2.270 50 0 BEAARN CCn1nccc1-c1ccsc1CO ZINC000952878874 974057674 /nfs/dbraw/zinc/05/76/74/974057674.db2.gz DYFVEFJTHKZNBM-UHFFFAOYSA-N 0 0 208.286 2.124 50 0 BEAARN C=C=CCNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000952883332 974060679 /nfs/dbraw/zinc/06/06/79/974060679.db2.gz KXSSXNJVAKKNMB-GFCCVEGCSA-N 0 0 244.294 2.151 50 0 BEAARN CC1(C)CCc2nnc([C@H]3CCCCO3)n2C1 ZINC000952883163 974061929 /nfs/dbraw/zinc/06/19/29/974061929.db2.gz XBSBLDBXWAJQGF-SNVBAGLBSA-N 0 0 235.331 2.492 50 0 BEAARN CO[C@H](C)c1ccc(-c2nc(C)n(C)n2)cc1 ZINC001506399221 988771844 /nfs/dbraw/zinc/77/18/44/988771844.db2.gz LDQNNHDMYAICBO-SECBINFHSA-N 0 0 231.299 2.498 50 0 BEAARN Fc1cnccc1NCCCC[C@H]1CCCO1 ZINC001506398131 988772116 /nfs/dbraw/zinc/77/21/16/988772116.db2.gz HDVCXPROPOOQNE-NSHDSACASA-N 0 0 238.306 2.404 50 0 BEAARN CC[C@@H]1C=CCN1C(=O)Cc1ccc(O)c(F)c1 ZINC001506401494 988774592 /nfs/dbraw/zinc/77/45/92/988774592.db2.gz ITWJHHWOQIENDH-LLVKDONJSA-N 0 0 249.285 2.251 50 0 BEAARN CN(CC[C@@H]1CCCCO1)C(=O)C1CC=CC1 ZINC001506399679 988775733 /nfs/dbraw/zinc/77/57/33/988775733.db2.gz PKNPTSQWNKQGMD-ZDUSSCGKSA-N 0 0 237.343 2.370 50 0 BEAARN Cc1ncn(CCNc2nc(C)cc(C)n2)c1C ZINC001506410314 988778741 /nfs/dbraw/zinc/77/87/41/988778741.db2.gz SPPOTVSKVXDFBM-UHFFFAOYSA-N 0 0 245.330 2.019 50 0 BEAARN Cc1ncn(CCNc2nc(C)cnc2C)c1C ZINC001506419049 988779275 /nfs/dbraw/zinc/77/92/75/988779275.db2.gz MNELQLQZFRUVBS-UHFFFAOYSA-N 0 0 245.330 2.019 50 0 BEAARN CCc1c(C)nn(C)c1NC(=O)C(C)(C)C ZINC001529098412 990329994 /nfs/dbraw/zinc/32/99/94/990329994.db2.gz FKFOEXAOPKEQRX-UHFFFAOYSA-N 0 0 223.320 2.276 50 0 BEAARN Oc1ccc(OCC2CCOCC2)cc1 ZINC000052173618 1171948519 /nfs/dbraw/zinc/94/85/19/1171948519.db2.gz YRDBASQYKKAQRE-UHFFFAOYSA-N 0 0 208.257 2.198 50 0 BEAARN CCCC(=O)NCCc1cccc(F)c1 ZINC000058363629 398136182 /nfs/dbraw/zinc/13/61/82/398136182.db2.gz URGVFRNAMQYGHY-UHFFFAOYSA-N 0 0 209.264 2.285 50 0 BEAARN CC[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000058268496 398136393 /nfs/dbraw/zinc/13/63/93/398136393.db2.gz DDGIFDZDCCOYQM-LBPRGKRZSA-N 0 0 207.273 2.282 50 0 BEAARN COC(=O)c1ccc(-c2cccnc2)nc1C ZINC000072417057 398137796 /nfs/dbraw/zinc/13/77/96/398137796.db2.gz JYMTYHCCDRYQNI-UHFFFAOYSA-N 0 0 228.251 2.239 50 0 BEAARN Cc1cc(C=O)c(C)n1Cc1cccnc1 ZINC000004414079 177951586 /nfs/dbraw/zinc/95/15/86/177951586.db2.gz QCCWCMMYKNHTOT-UHFFFAOYSA-N 0 0 214.268 2.361 50 0 BEAARN CCc1nccn1CCc1n[nH]c(CC(C)C)n1 ZINC000065458026 136210777 /nfs/dbraw/zinc/21/07/77/136210777.db2.gz LPXCUBGCAUGBOJ-UHFFFAOYSA-N 0 0 247.346 2.005 50 0 BEAARN Cc1cc(C)nc(N[C@@H]2CCCCC[C@H]2O)n1 ZINC000135791481 177946182 /nfs/dbraw/zinc/94/61/82/177946182.db2.gz SEJUCWLYPKZACX-VXGBXAGGSA-N 0 0 235.331 2.199 50 0 BEAARN CCONC(=O)CCc1ccc(CC)cc1 ZINC000044891605 398145812 /nfs/dbraw/zinc/14/58/12/398145812.db2.gz GGHNEQFNNUKMAZ-UHFFFAOYSA-N 0 0 221.300 2.249 50 0 BEAARN C=CC(=O)N1CCSc2ccccc21 ZINC000036334493 343978953 /nfs/dbraw/zinc/97/89/53/343978953.db2.gz SXRZPNALYMPUPT-UHFFFAOYSA-N 0 0 205.282 2.311 50 0 BEAARN Cc1cc(CN2CCC[C@@H]2c2noc(C)n2)no1 ZINC000075573192 177990269 /nfs/dbraw/zinc/99/02/69/177990269.db2.gz VBXCJTZFYRMBFP-LLVKDONJSA-N 0 0 248.286 2.012 50 0 BEAARN Cc1cc(CNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)no1 ZINC000220599470 178010437 /nfs/dbraw/zinc/01/04/37/178010437.db2.gz OUXDVSWHQOCYOM-WOPDTQHZSA-N 0 0 246.310 2.202 50 0 BEAARN Cc1cc(CNC(=O)c2ccccn2)ccc1F ZINC000021067974 178016964 /nfs/dbraw/zinc/01/69/64/178016964.db2.gz CMXUKBGBCWDWQU-UHFFFAOYSA-N 0 0 244.269 2.459 50 0 BEAARN Cc1cc(CNC(=O)c2ccccc2F)on1 ZINC000044479596 178017724 /nfs/dbraw/zinc/01/77/24/178017724.db2.gz ACQXVMQLFQKQJJ-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000071973387 398171469 /nfs/dbraw/zinc/17/14/69/398171469.db2.gz GHITWFDHFOLATC-VIFPVBQESA-N 0 0 237.303 2.482 50 0 BEAARN Cc1cc(Cn2ccc3ccsc3c2=O)no1 ZINC000193780353 178074642 /nfs/dbraw/zinc/07/46/42/178074642.db2.gz JVDJYPZULRFXKF-UHFFFAOYSA-N 0 0 246.291 2.408 50 0 BEAARN Cc1cc(COC(=O)[C@@H]2C[C@@H]2c2ccco2)on1 ZINC000064583782 178047467 /nfs/dbraw/zinc/04/74/67/178047467.db2.gz WMTUWMBEHGCGAV-WDEREUQCSA-N 0 0 247.250 2.423 50 0 BEAARN Cc1cc(CSC2CCOCC2)no1 ZINC000095439493 178051311 /nfs/dbraw/zinc/05/13/11/178051311.db2.gz YWXVQFKJNZSHIJ-UHFFFAOYSA-N 0 0 213.302 2.395 50 0 BEAARN Cc1cc(Cl)ccc1C[N@@H+](C)C[C@H](C)O ZINC000120497861 178065930 /nfs/dbraw/zinc/06/59/30/178065930.db2.gz MJVUYPKCUAHNSU-JTQLQIEISA-N 0 0 227.735 2.461 50 0 BEAARN Cc1cc(Cl)ccc1OCC(=O)NC1CC1 ZINC000005535470 178069486 /nfs/dbraw/zinc/06/94/86/178069486.db2.gz DKHRPDMXSQMCIJ-UHFFFAOYSA-N 0 0 239.702 2.306 50 0 BEAARN Cc1cc(F)ccc1[C@H]1CC(=O)CCN1 ZINC000090659549 178092221 /nfs/dbraw/zinc/09/22/21/178092221.db2.gz LSNSTGMHGQWUFV-GFCCVEGCSA-N 0 0 207.248 2.128 50 0 BEAARN Cc1cc(N(C)CCC(F)(F)F)nc(C)n1 ZINC000091458527 178098287 /nfs/dbraw/zinc/09/82/87/178098287.db2.gz UVUGLALTPJHGMX-UHFFFAOYSA-N 0 0 233.237 2.482 50 0 BEAARN Cc1cc(N)ccc1NC(=O)c1ccncc1 ZINC000020344219 178105576 /nfs/dbraw/zinc/10/55/76/178105576.db2.gz OOVQOCISTLOJHL-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN Cc1cc(N)ccc1I ZINC000002574881 178105844 /nfs/dbraw/zinc/10/58/44/178105844.db2.gz UISBOJCPTKUBIC-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN Cc1cc(N)ccc1OC1CCOCC1 ZINC000040887167 178106902 /nfs/dbraw/zinc/10/69/02/178106902.db2.gz BWPQNEDAJJPFQC-UHFFFAOYSA-N 0 0 207.273 2.135 50 0 BEAARN Cc1cc(N2CCC[C@@H](C)CC2)n2ncnc2n1 ZINC000071842028 178115347 /nfs/dbraw/zinc/11/53/47/178115347.db2.gz YDOTYTSHDNTKAT-SNVBAGLBSA-N 0 0 245.330 2.059 50 0 BEAARN Cc1cc(N)nc(Nc2cccc([C@@H](C)O)c2)n1 ZINC000075156673 178108952 /nfs/dbraw/zinc/10/89/52/178108952.db2.gz OYEZOJTUAZFUAP-SECBINFHSA-N 0 0 244.298 2.164 50 0 BEAARN Cc1cc(N2C[C@H]3CCC[C@@H]3C2)nc(C)n1 ZINC000095410698 178122074 /nfs/dbraw/zinc/12/20/74/178122074.db2.gz XQMSLJCPUKNHFK-VXGBXAGGSA-N 0 0 217.316 2.330 50 0 BEAARN Cc1c[nH]c(=O)n1-c1cccc(Cl)c1 ZINC000162728951 538924416 /nfs/dbraw/zinc/92/44/16/538924416.db2.gz SZPWVNHXLISZAS-UHFFFAOYSA-N 0 0 208.648 2.127 50 0 BEAARN Cc1cc(NC(=O)CCc2ccccc2)n[nH]1 ZINC000042653692 178128007 /nfs/dbraw/zinc/12/80/07/178128007.db2.gz GFHPGCKEOBLEHY-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN Cc1ccc(CCC(=O)Nc2cc(C)on2)o1 ZINC000002708064 178128064 /nfs/dbraw/zinc/12/80/64/178128064.db2.gz JQDYWQASCNGTQW-UHFFFAOYSA-N 0 0 234.255 2.456 50 0 BEAARN Cc1cc(NC(=O)CC[C@H]2CCCO2)sn1 ZINC000096449157 178128159 /nfs/dbraw/zinc/12/81/59/178128159.db2.gz VGMLQBOCSUBXCC-SECBINFHSA-N 0 0 240.328 2.349 50 0 BEAARN Cc1cc(NC(=O)CCc2cccs2)n(C)n1 ZINC000040072606 178128661 /nfs/dbraw/zinc/12/86/61/178128661.db2.gz FILMZTLDJRGFRE-UHFFFAOYSA-N 0 0 249.339 2.361 50 0 BEAARN Cc1cc(NC(=O)NC2CCCC2)no1 ZINC000031050603 178139874 /nfs/dbraw/zinc/13/98/74/178139874.db2.gz HQFFIFAOOYFHAB-UHFFFAOYSA-N 0 0 209.249 2.047 50 0 BEAARN Cc1cc(CN(C)C(=O)/C=C\c2ccco2)no1 ZINC000097040464 398206092 /nfs/dbraw/zinc/20/60/92/398206092.db2.gz ULGWXABNSUQOIC-WAYWQWQTSA-N 0 0 246.266 2.248 50 0 BEAARN Cc1cc(NC(=O)CNc2cccc(F)c2)no1 ZINC000009453843 178132936 /nfs/dbraw/zinc/13/29/36/178132936.db2.gz XTFQLUQTRRPYOF-UHFFFAOYSA-N 0 0 249.245 2.173 50 0 BEAARN Cc1cc(NC(=O)Cc2ccsc2)no1 ZINC000025323313 178134934 /nfs/dbraw/zinc/13/49/34/178134934.db2.gz YDJFDUPPEMHSOQ-UHFFFAOYSA-N 0 0 222.269 2.226 50 0 BEAARN O=C(c1cc(O)cc(F)c1)N1CCCCC1 ZINC000261494430 398208215 /nfs/dbraw/zinc/20/82/15/398208215.db2.gz XKFKWVOPONJFMK-UHFFFAOYSA-N 0 0 223.247 2.157 50 0 BEAARN O=C(CNc1ccccc1)NCCC(F)(F)F ZINC000063101008 398215374 /nfs/dbraw/zinc/21/53/74/398215374.db2.gz OMSXQAQXVVLWDN-UHFFFAOYSA-N 0 0 246.232 2.167 50 0 BEAARN Cc1cc(NC(=O)[C@H](C)Nc2ccccc2)no1 ZINC000024978520 178146679 /nfs/dbraw/zinc/14/66/79/178146679.db2.gz CKXMEERQKUVQFX-JTQLQIEISA-N 0 0 245.282 2.422 50 0 BEAARN FC1(F)CCC(Nc2ncccn2)CC1 ZINC000335616223 398217798 /nfs/dbraw/zinc/21/77/98/398217798.db2.gz SNQUMBQWVPNGFU-UHFFFAOYSA-N 0 0 213.231 2.466 50 0 BEAARN CCC(CC)C(=O)Nc1nc(C)ns1 ZINC000011917505 168343098 /nfs/dbraw/zinc/34/30/98/168343098.db2.gz VQUKBVWGOVCKPP-UHFFFAOYSA-N 0 0 213.306 2.221 50 0 BEAARN Cc1cc(NC(=O)c2ccc(C)c(F)c2)n(C)n1 ZINC000036397448 178149808 /nfs/dbraw/zinc/14/98/08/178149808.db2.gz MZXQBSZPHJMPIF-UHFFFAOYSA-N 0 0 247.273 2.428 50 0 BEAARN Cc1cc(NC(=O)c2ccc(F)cc2)n(C)n1 ZINC000004106928 178150369 /nfs/dbraw/zinc/15/03/69/178150369.db2.gz IVACADLKIKAHNF-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cc1cc(NC(=O)c2ccc(C)c(F)c2)n[nH]1 ZINC000047555524 178150496 /nfs/dbraw/zinc/15/04/96/178150496.db2.gz NDTNGNBPPPQJEK-UHFFFAOYSA-N 0 0 233.246 2.418 50 0 BEAARN Cc1cc(NC(=O)c2ccc3c(c2)COC3)no1 ZINC000064486730 178150625 /nfs/dbraw/zinc/15/06/25/178150625.db2.gz NRMHIODZIPKXLK-UHFFFAOYSA-N 0 0 244.250 2.266 50 0 BEAARN CCO[C@H](C)c1ccc(-c2nnc(CO)[nH]2)cc1 ZINC000426717016 398218703 /nfs/dbraw/zinc/21/87/03/398218703.db2.gz ROOQGFKRPHWWFD-SECBINFHSA-N 0 0 247.298 2.062 50 0 BEAARN Cc1cc(NC(N)=O)ccc1OCC(F)(F)F ZINC000072292081 178152962 /nfs/dbraw/zinc/15/29/62/178152962.db2.gz RCIOWMYKXKCWNP-UHFFFAOYSA-N 0 0 248.204 2.427 50 0 BEAARN Cc1cc(Nc2cc(C)nc(Cl)n2)n[nH]1 ZINC000091364267 178192574 /nfs/dbraw/zinc/19/25/74/178192574.db2.gz CRJQXLOMFQRQSP-UHFFFAOYSA-N 0 0 223.667 2.214 50 0 BEAARN Cc1cc(Nc2cccc(F)c2)nc(N)n1 ZINC000072434268 178192940 /nfs/dbraw/zinc/19/29/40/178192940.db2.gz LUOHRYUJDRSXOF-UHFFFAOYSA-N 0 0 218.235 2.250 50 0 BEAARN Cc1cc(O)c(N)cc1Br ZINC000037597623 178197301 /nfs/dbraw/zinc/19/73/01/178197301.db2.gz OVFOSMHDFYXTCQ-UHFFFAOYSA-N 0 0 202.051 2.045 50 0 BEAARN Cc1cc(=O)n2c(nnc2-c2ccccc2C)[nH]1 ZINC000008582772 178200758 /nfs/dbraw/zinc/20/07/58/178200758.db2.gz ALTIZOLYKHCRQW-UHFFFAOYSA-N 0 0 240.266 2.114 50 0 BEAARN Cc1cc(=O)n2nc(-c3cccs3)cc2[nH]1 ZINC000100549443 178201167 /nfs/dbraw/zinc/20/11/67/178201167.db2.gz BTHGBEIYPQAPSD-UHFFFAOYSA-N 0 0 231.280 2.472 50 0 BEAARN Cc1cc(=O)[nH]c(SCC(=O)C(C)(C)C)n1 ZINC000013468269 178203954 /nfs/dbraw/zinc/20/39/54/178203954.db2.gz ILJHWOPYMZRUJN-UHFFFAOYSA-N 0 0 240.328 2.198 50 0 BEAARN Cc1cc(OCC(=O)NC2CC2)ccc1Cl ZINC000003443818 178208461 /nfs/dbraw/zinc/20/84/61/178208461.db2.gz GFRDRYWZPAUCCT-UHFFFAOYSA-N 0 0 239.702 2.306 50 0 BEAARN Cc1nc(CSc2cc(C)nc(C)n2)no1 ZINC000048331862 178218476 /nfs/dbraw/zinc/21/84/76/178218476.db2.gz IDXGWLOHCIWVHR-UHFFFAOYSA-N 0 0 236.300 2.077 50 0 BEAARN Cc1cccc2c(C)cc(SCC(N)=O)nc12 ZINC000003386562 178218820 /nfs/dbraw/zinc/21/88/20/178218820.db2.gz JIWVZAMJLMKHEO-UHFFFAOYSA-N 0 0 246.335 2.429 50 0 BEAARN CC(C)CCO[C@H]1CCN(c2cnccn2)C1 ZINC000267621382 398233028 /nfs/dbraw/zinc/23/30/28/398233028.db2.gz IBYRTCIPUOHPAA-LBPRGKRZSA-N 0 0 235.331 2.118 50 0 BEAARN Cc1cc([C@@H]2CCCN(C(=O)C(C)C)C2)[nH]n1 ZINC000225420090 178238832 /nfs/dbraw/zinc/23/88/32/178238832.db2.gz YPEYQBKNDWZYQH-LLVKDONJSA-N 0 0 235.331 2.080 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)C(C)C)no1 ZINC000044633309 178240857 /nfs/dbraw/zinc/24/08/57/178240857.db2.gz ZLMICPQCLYILQA-NSHDSACASA-N 0 0 222.288 2.303 50 0 BEAARN c1nc(C2CC2)sc1CNc1ncccn1 ZINC000170603090 361788130 /nfs/dbraw/zinc/78/81/30/361788130.db2.gz MMWSYJUKPOJXBE-UHFFFAOYSA-N 0 0 232.312 2.423 50 0 BEAARN CCN(Cc1nnc(C)o1)c1cccc(O)c1 ZINC000170608660 361802273 /nfs/dbraw/zinc/80/22/73/361802273.db2.gz ARYNXCOPFMSRDI-UHFFFAOYSA-N 0 0 233.271 2.110 50 0 BEAARN COc1cc(C)cc(-c2nc(C)no2)c1O ZINC000097114109 398238003 /nfs/dbraw/zinc/23/80/03/398238003.db2.gz QQFFMXIFDUDGMR-UHFFFAOYSA-N 0 0 220.228 2.068 50 0 BEAARN Cc1cc([C@H]2CCCN2C(=O)NC(C)C)on1 ZINC000035511410 178265937 /nfs/dbraw/zinc/26/59/37/178265937.db2.gz IIQQLVNRAAITNN-SNVBAGLBSA-N 0 0 237.303 2.238 50 0 BEAARN Cc1cc([C@H]2CCCN2C(=O)C(C)C)on1 ZINC000021718565 178266242 /nfs/dbraw/zinc/26/62/42/178266242.db2.gz DUPLKGUCIXKGDO-SNVBAGLBSA-N 0 0 222.288 2.303 50 0 BEAARN CC1(C)CC[C@@H](COC(=O)c2ccco2)O1 ZINC000170611849 361805193 /nfs/dbraw/zinc/80/51/93/361805193.db2.gz SAICJHWGCVSPDP-VIFPVBQESA-N 0 0 224.256 2.394 50 0 BEAARN Cc1cc2c(C)c(C)c(=O)[nH]c2cc1N ZINC000008581736 178278714 /nfs/dbraw/zinc/27/87/14/178278714.db2.gz GSPDIHHLHQTKJB-UHFFFAOYSA-N 0 0 202.257 2.036 50 0 BEAARN Cc1nnc([C@@H](C)Nc2cnn(C(C)C)c2)o1 ZINC000097140057 398245180 /nfs/dbraw/zinc/24/51/80/398245180.db2.gz OBDYRUWTUIQGJL-MRVPVSSYSA-N 0 0 235.291 2.329 50 0 BEAARN Cc1cc2c(cc1CNc1cnccn1)OCO2 ZINC000032573276 178288804 /nfs/dbraw/zinc/28/88/04/178288804.db2.gz HCWRNRKEVCLSGV-UHFFFAOYSA-N 0 0 243.266 2.126 50 0 BEAARN Cc1cc2ccccc2n1CC(=O)NC1CC1 ZINC000007848806 178297676 /nfs/dbraw/zinc/29/76/76/178297676.db2.gz DJQYVAIPSJQJQS-UHFFFAOYSA-N 0 0 228.295 2.228 50 0 BEAARN Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)F)N2 ZINC000225332090 178300261 /nfs/dbraw/zinc/30/02/61/178300261.db2.gz MTKXADUJQZQLQK-NKWVEPMBSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2nc(Br)cnc2[nH]1 ZINC000083411250 178300289 /nfs/dbraw/zinc/30/02/89/178300289.db2.gz GQYLZUNWOJNSRY-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1cc2nc(CCCO)[nH]c2cc1C ZINC000012339240 178302737 /nfs/dbraw/zinc/30/27/37/178302737.db2.gz ORTMBDIEOVCLQT-UHFFFAOYSA-N 0 0 204.273 2.105 50 0 BEAARN Cc1ccc(-c2cc(C(=O)N(C)C)on2)cc1 ZINC000031223314 178318641 /nfs/dbraw/zinc/31/86/41/178318641.db2.gz XTZAVQRAZITIKK-UHFFFAOYSA-N 0 0 230.267 2.352 50 0 BEAARN Cc1ccc(-c2cccnc2C(N)=O)cc1 ZINC000085210094 178328024 /nfs/dbraw/zinc/32/80/24/178328024.db2.gz LSLMCVWZSAXPFQ-UHFFFAOYSA-N 0 0 212.252 2.156 50 0 BEAARN O=C(NC[C@H]1CC12CC2)[C@H]1CCC(F)(F)C1 ZINC000335255033 343995874 /nfs/dbraw/zinc/99/58/74/343995874.db2.gz GAUXLGZOKNXSCI-DTWKUNHWSA-N 0 0 229.270 2.338 50 0 BEAARN Cc1ccc(-n2nnc3c2ncnc3Cl)cc1 ZINC000039251791 178349925 /nfs/dbraw/zinc/34/99/25/178349925.db2.gz CJKLURROMFYAGR-UHFFFAOYSA-N 0 0 245.673 2.172 50 0 BEAARN Cc1ccc(-c2noc([C@H]3CCCCO3)n2)nn1 ZINC000082109503 178344132 /nfs/dbraw/zinc/34/41/32/178344132.db2.gz JYXDSVRIIBMSAV-SNVBAGLBSA-N 0 0 246.270 2.077 50 0 BEAARN Cc1ccc(-c2noc(Cn3ccnc3)n2)cc1 ZINC000010809670 178344174 /nfs/dbraw/zinc/34/41/74/178344174.db2.gz NRHIMBOHEMELGU-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN Cc1cc(N)n(-c2ccc(C)cc2C)n1 ZINC000003296684 178348305 /nfs/dbraw/zinc/34/83/05/178348305.db2.gz SUVJXCVTYXQWDZ-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN CC1=NN(c2ccc(C)cc2)C(=O)C1C=O ZINC000100149205 178348730 /nfs/dbraw/zinc/34/87/30/178348730.db2.gz UPOQMPSPZSJZKF-UHFFFAOYSA-N 0 0 216.240 2.007 50 0 BEAARN Cc1ccc(=O)n(Cc2ccc(Cl)cc2)n1 ZINC000000092329 178361966 /nfs/dbraw/zinc/36/19/66/178361966.db2.gz JCDUVAYRRREIDS-UHFFFAOYSA-N 0 0 234.686 2.253 50 0 BEAARN Cc1ccc(-n2nnnc2NC2CC=CC2)cc1 ZINC000089643103 178351166 /nfs/dbraw/zinc/35/11/66/178351166.db2.gz MHERMJTYANYHPX-UHFFFAOYSA-N 0 0 241.298 2.101 50 0 BEAARN Cc1ccc(C(=O)Cn2ccnc2)c(C)c1 ZINC000037340546 178374151 /nfs/dbraw/zinc/37/41/51/178374151.db2.gz HPISNVDDMOHRNV-UHFFFAOYSA-N 0 0 214.268 2.383 50 0 BEAARN Cc1coc(=N)n1CC(=O)c1ccc(C)cc1 ZINC000005540335 178375104 /nfs/dbraw/zinc/37/51/04/178375104.db2.gz HEQZAQOKWBUEEU-UHFFFAOYSA-N 0 0 230.267 2.060 50 0 BEAARN O=C(/C=C/c1cccnc1)Nc1ccncc1 ZINC000036394617 398267800 /nfs/dbraw/zinc/26/78/00/398267800.db2.gz DJSBVJPSGLNANG-ONEGZZNKSA-N 0 0 225.251 2.129 50 0 BEAARN Cc1ccc(C(=O)N(C)C[C@@H]2CCOC2)cc1 ZINC000177339626 178378242 /nfs/dbraw/zinc/37/82/42/178378242.db2.gz AJTWSUDIYHFPKN-LBPRGKRZSA-N 0 0 233.311 2.104 50 0 BEAARN Cc1ccc(C(=O)N(C)Cc2ccn(C)n2)cc1 ZINC000002795680 178378283 /nfs/dbraw/zinc/37/82/83/178378283.db2.gz XZWUMBIKYXIYDH-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN O=C(NCc1ccc[nH]1)[C@@H]1CCC[C@H](F)C1 ZINC000335084553 136232818 /nfs/dbraw/zinc/23/28/18/136232818.db2.gz MPAGHMXXWDMZQZ-ZJUUUORDSA-N 0 0 224.279 2.159 50 0 BEAARN Cc1ccc(CN(C)C(=O)[C@@H]2CCCO2)c(C)c1 ZINC000032748070 538950297 /nfs/dbraw/zinc/95/02/97/538950297.db2.gz WNGVYASWGAAWEL-AWEZNQCLSA-N 0 0 247.338 2.441 50 0 BEAARN Cc1ccc(C(=O)NCC2CCOCC2)s1 ZINC000169750753 178405477 /nfs/dbraw/zinc/40/54/77/178405477.db2.gz PUELPTWQKBFASG-UHFFFAOYSA-N 0 0 239.340 2.213 50 0 BEAARN CC(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C ZINC000035506322 538957131 /nfs/dbraw/zinc/95/71/31/538957131.db2.gz LUZBGJKNGYUIEY-UHFFFAOYSA-N 0 0 234.255 2.134 50 0 BEAARN Nc1cncc(Br)c1Cl ZINC000081991276 398271616 /nfs/dbraw/zinc/27/16/16/398271616.db2.gz KAJRLYHBOIPDLW-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CSc1ccc(-c2ccc(=O)[nH]n2)cc1 ZINC000040162884 259315843 /nfs/dbraw/zinc/31/58/43/259315843.db2.gz AJCIEWUTAOHHJS-UHFFFAOYSA-N 0 0 218.281 2.159 50 0 BEAARN O=C1CCCc2nc3c(cc21)C(=O)CCC3 ZINC000000083459 342673424 /nfs/dbraw/zinc/67/34/24/342673424.db2.gz ANTYWKFHKPMJLE-UHFFFAOYSA-N 0 0 215.252 2.120 50 0 BEAARN O=C1CS[C@H](c2cccnc2)N1CC1CC1 ZINC000000100842 342674349 /nfs/dbraw/zinc/67/43/49/342674349.db2.gz FMSFLRXNZIRXFQ-GFCCVEGCSA-N 0 0 234.324 2.066 50 0 BEAARN CC(C)(C)c1ccccc1N1C(=O)C=CC1=O ZINC000000103878 342674715 /nfs/dbraw/zinc/67/47/15/342674715.db2.gz KOHAAQZNKXPOID-UHFFFAOYSA-N 0 0 229.279 2.414 50 0 BEAARN COC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000000119747 342675387 /nfs/dbraw/zinc/67/53/87/342675387.db2.gz CSGQJXYOVIGMRM-ZETCQYMHSA-N 0 0 236.296 2.217 50 0 BEAARN O=C(CCOc1ccccc1)NCc1ccco1 ZINC000000133032 342676350 /nfs/dbraw/zinc/67/63/50/342676350.db2.gz QOEFPXMRPSWHPH-UHFFFAOYSA-N 0 0 245.278 2.365 50 0 BEAARN Cn1nc(-c2ccccc2)c(Cl)cc1=O ZINC000000163708 342678676 /nfs/dbraw/zinc/67/86/76/342678676.db2.gz JLEPXRQIVMKNTH-UHFFFAOYSA-N 0 0 220.659 2.101 50 0 BEAARN COC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000000169011 342678900 /nfs/dbraw/zinc/67/89/00/342678900.db2.gz OLQOSWHSVZKSLW-UHFFFAOYSA-N 0 0 224.643 2.289 50 0 BEAARN CCc1c(C)nc2sc(C(N)=O)c(N)c2c1C ZINC000000199013 342680005 /nfs/dbraw/zinc/68/00/05/342680005.db2.gz CWKMPZOEUOYQAU-UHFFFAOYSA-N 0 0 249.339 2.157 50 0 BEAARN O=C1Cc2ccccc2[C@@H](c2ccccc2)N1 ZINC000000227132 342680679 /nfs/dbraw/zinc/68/06/79/342680679.db2.gz IAOCKKZVKNCZPK-OAHLLOKOSA-N 0 0 223.275 2.448 50 0 BEAARN O=C1Cc2ccccc2[C@H](c2ccccc2)N1 ZINC000000227130 342680688 /nfs/dbraw/zinc/68/06/88/342680688.db2.gz IAOCKKZVKNCZPK-HNNXBMFYSA-N 0 0 223.275 2.448 50 0 BEAARN CN(C)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000000265863 342681537 /nfs/dbraw/zinc/68/15/37/342681537.db2.gz VSFIFEAZYKVGAK-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN Nc1c(Cl)ncnc1NCc1ccccc1 ZINC000000283811 342682152 /nfs/dbraw/zinc/68/21/52/342682152.db2.gz PXAHAMMJAMIFCL-UHFFFAOYSA-N 0 0 234.690 2.324 50 0 BEAARN Cc1cc(=O)c2c(o1)CC(C)(C)CC2=O ZINC000000287418 342682317 /nfs/dbraw/zinc/68/23/17/342682317.db2.gz AZVCHXKUDQEKIJ-UHFFFAOYSA-N 0 0 206.241 2.103 50 0 BEAARN Cc1cc(C)nc(NC(=O)CC(C)(C)C)n1 ZINC000000285392 342682397 /nfs/dbraw/zinc/68/23/97/342682397.db2.gz CMQOKCMACWPSDL-UHFFFAOYSA-N 0 0 221.304 2.468 50 0 BEAARN CC(C)CNC(=O)COc1ccc(Cl)cc1 ZINC000000296440 342682622 /nfs/dbraw/zinc/68/26/22/342682622.db2.gz JAHMRCCGQWURSB-UHFFFAOYSA-N 0 0 241.718 2.491 50 0 BEAARN O=C(CN1CCCCC1)c1ccccc1 ZINC000000297955 342682630 /nfs/dbraw/zinc/68/26/30/342682630.db2.gz VOIKTEMGYNKRTL-UHFFFAOYSA-N 0 0 203.285 2.355 50 0 BEAARN CC(C)(Br)C(=O)Nc1nccs1 ZINC000000332788 342683646 /nfs/dbraw/zinc/68/36/46/342683646.db2.gz CJRFOGRRZNLWOH-UHFFFAOYSA-N 0 0 249.133 2.255 50 0 BEAARN CCCC(=O)Nc1cc(OC)ccc1OC ZINC000000341680 342684039 /nfs/dbraw/zinc/68/40/39/342684039.db2.gz VBJWZQLKFYYTHQ-UHFFFAOYSA-N 0 0 223.272 2.442 50 0 BEAARN COC(=O)C1(O)c2ccccc2-c2ccccc21 ZINC000000338563 342684099 /nfs/dbraw/zinc/68/40/99/342684099.db2.gz AJKQZRAAQMBNKM-UHFFFAOYSA-N 0 0 240.258 2.076 50 0 BEAARN CCCC(=O)NC(=S)Nc1ccccc1F ZINC000000342005 342684175 /nfs/dbraw/zinc/68/41/75/342684175.db2.gz JAVJNAGJVSRYRG-UHFFFAOYSA-N 0 0 240.303 2.439 50 0 BEAARN CC(C)[C@@H]1C[C@H](C(=O)Nc2ccccc2)C(=O)O1 ZINC000000345792 342684283 /nfs/dbraw/zinc/68/42/83/342684283.db2.gz ISECDCWBPMVGJG-NEPJUHHUSA-N 0 0 247.294 2.213 50 0 BEAARN CN1c2ccccc2[C@@H](O)c2ccccc2C1=O ZINC000000346998 342684358 /nfs/dbraw/zinc/68/43/58/342684358.db2.gz IGNMTKJSFDKQLE-AWEZNQCLSA-N 0 0 239.274 2.358 50 0 BEAARN CN(c1cccc2ccccc21)[N+](=O)[O-] ZINC000000348044 342684457 /nfs/dbraw/zinc/68/44/57/342684457.db2.gz RXTJPFOQHOSJOT-UHFFFAOYSA-N 0 0 202.213 2.468 50 0 BEAARN COC[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000000349971 342684650 /nfs/dbraw/zinc/68/46/50/342684650.db2.gz FWZKURXXZGJPNB-QMMMGPOBSA-N 0 0 227.691 2.105 50 0 BEAARN CSc1nnc(NC(=O)CC(C)C)s1 ZINC000000364128 342685225 /nfs/dbraw/zinc/68/52/25/342685225.db2.gz KMDSKHSBAJTSGT-UHFFFAOYSA-N 0 0 231.346 2.245 50 0 BEAARN Cc1ccc(NC(=O)c2cnn(C)c2)cc1F ZINC000000375952 342685379 /nfs/dbraw/zinc/68/53/79/342685379.db2.gz SESZWNMPKZDFNM-UHFFFAOYSA-N 0 0 233.246 2.120 50 0 BEAARN Cc1occc1C(=O)NCc1ccco1 ZINC000000376577 342685428 /nfs/dbraw/zinc/68/54/28/342685428.db2.gz ZSEHNDARAQYZIE-UHFFFAOYSA-N 0 0 205.213 2.111 50 0 BEAARN O=C(CC[NH+]1CCCC1)c1ccccc1 ZINC000000393799 342686178 /nfs/dbraw/zinc/68/61/78/342686178.db2.gz WRSWNYCNECGVNL-UHFFFAOYSA-N 0 0 203.285 2.355 50 0 BEAARN CCSc1nnc([C@@H](N)Cc2ccccc2)o1 ZINC000000525135 342689427 /nfs/dbraw/zinc/68/94/27/342689427.db2.gz XFKKBHQXKGVWHM-JTQLQIEISA-N 0 0 249.339 2.424 50 0 BEAARN Cc1cc(CC(=O)Nc2ccc(C)cc2)on1 ZINC000000407614 342687044 /nfs/dbraw/zinc/68/70/44/342687044.db2.gz XVNCKWMNASKRQY-UHFFFAOYSA-N 0 0 230.267 2.473 50 0 BEAARN CCOc1ccc(NC(=O)c2cnsn2)cc1 ZINC000000479772 342688494 /nfs/dbraw/zinc/68/84/94/342688494.db2.gz KLTHZZMEMHCNNG-UHFFFAOYSA-N 0 0 249.295 2.189 50 0 BEAARN Cc1c(Cl)cccc1NS(C)(=O)=O ZINC000000029498 342669994 /nfs/dbraw/zinc/66/99/94/342669994.db2.gz PFCAWYBIPIVFEW-UHFFFAOYSA-N 0 0 219.693 2.020 50 0 BEAARN O=C(c1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000000035394 342670632 /nfs/dbraw/zinc/67/06/32/342670632.db2.gz ABPXISKFLMGPJG-UHFFFAOYSA-N 0 0 247.294 2.432 50 0 BEAARN Cc1cc(C)cc(OCc2nnc(N)s2)c1 ZINC000000052516 342671520 /nfs/dbraw/zinc/67/15/20/342671520.db2.gz QZBLPRBQNVTFNK-UHFFFAOYSA-N 0 0 235.312 2.316 50 0 BEAARN O=C1CCC(=O)N1c1ccc2ccccc2c1 ZINC000000055192 342671694 /nfs/dbraw/zinc/67/16/94/342671694.db2.gz YYWPIEKBEFDTMQ-UHFFFAOYSA-N 0 0 225.247 2.493 50 0 BEAARN Cc1cc(=O)cc(C)n1-c1ccccc1N ZINC000000620800 342690983 /nfs/dbraw/zinc/69/09/83/342690983.db2.gz FTRATJDJHCBQCC-UHFFFAOYSA-N 0 0 214.268 2.037 50 0 BEAARN CC(=O)Oc1ccc(C(=O)N2CCCCC2)cc1 ZINC000000898091 342694320 /nfs/dbraw/zinc/69/43/20/342694320.db2.gz WSKHTALERPSKIH-UHFFFAOYSA-N 0 0 247.294 2.238 50 0 BEAARN O=c1[nH]nc(-c2ccc(O)cc2)c2ccccc12 ZINC000000999932 342695629 /nfs/dbraw/zinc/69/56/29/342695629.db2.gz LYLHOKOTRWUGIF-UHFFFAOYSA-N 0 0 238.246 2.296 50 0 BEAARN Nc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000001081538 342697205 /nfs/dbraw/zinc/69/72/05/342697205.db2.gz HGRXBNZHQKXDPL-UHFFFAOYSA-N 0 0 213.236 2.488 50 0 BEAARN Cc1cc(N)n(-c2ccc(Cl)cc2)n1 ZINC000001081553 342697279 /nfs/dbraw/zinc/69/72/79/342697279.db2.gz CLORQKXFDBKDCZ-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN Nc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000001206586 342698411 /nfs/dbraw/zinc/69/84/11/342698411.db2.gz AKWGNCKAGFBIMO-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN C[C@@H]1CN(C)N=C(c2ccccc2)CS1 ZINC000096027560 342699200 /nfs/dbraw/zinc/69/92/00/342699200.db2.gz ZJXVHEAYXHPNNC-SNVBAGLBSA-N 0 0 220.341 2.458 50 0 BEAARN O=c1[nH]n(-c2cccc(Cl)c2)c2ncccc12 ZINC000001397094 342699794 /nfs/dbraw/zinc/69/97/94/342699794.db2.gz YGKIIOPVSTWANY-UHFFFAOYSA-N 0 0 245.669 2.367 50 0 BEAARN COC(OC)c1ccnc(-c2ccc(O)cc2)n1 ZINC000001406343 342699952 /nfs/dbraw/zinc/69/99/52/342699952.db2.gz YMUZRCNEZUPZJX-UHFFFAOYSA-N 0 0 246.266 2.141 50 0 BEAARN O=C1CCCc2nc(-c3ccc(O)cc3)ncc21 ZINC000001406345 342700021 /nfs/dbraw/zinc/70/00/21/342700021.db2.gz MWHXZGXZDHNUIK-UHFFFAOYSA-N 0 0 240.262 2.368 50 0 BEAARN CS[C@H](C)C(=O)N(C)Cc1c(C)noc1C ZINC000043038022 342700052 /nfs/dbraw/zinc/70/00/52/342700052.db2.gz DGBWLYPQTZWLTD-SECBINFHSA-N 0 0 242.344 2.001 50 0 BEAARN COC(=O)COc1cc(C)cc(C)c1C ZINC000001441468 342701083 /nfs/dbraw/zinc/70/10/83/342701083.db2.gz LLUWVSXMVBOUFY-UHFFFAOYSA-N 0 0 208.257 2.164 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000001506919 342702023 /nfs/dbraw/zinc/70/20/23/342702023.db2.gz AMRNUEMIMYEDBK-VBRVDACPSA-N 0 0 223.316 2.005 50 0 BEAARN CCCCC(C)(C(=O)OCC)C(=O)OCC ZINC000001696696 342709701 /nfs/dbraw/zinc/70/97/01/342709701.db2.gz VRSFJMZKROGYJJ-UHFFFAOYSA-N 0 0 230.304 2.309 50 0 BEAARN CCCCC[C@@H](C(C)=O)C(=O)OCC ZINC000001694746 342709709 /nfs/dbraw/zinc/70/97/09/342709709.db2.gz XIGZBCUFFUBWDM-JTQLQIEISA-N 0 0 200.278 2.335 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000002385886 342719486 /nfs/dbraw/zinc/71/94/86/342719486.db2.gz UUVNRBNPVFBPTH-SECBINFHSA-N 0 0 247.216 2.050 50 0 BEAARN Cc1ccc(I)c(F)n1 ZINC000002384115 342719508 /nfs/dbraw/zinc/71/95/08/342719508.db2.gz TYHGMXVAEPEGRT-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 BEAARN Cn1c2ccccc2c2nnc(=S)[nH]c21 ZINC000001731282 342711603 /nfs/dbraw/zinc/71/16/03/342711603.db2.gz RZYGCPYYIBGBCX-UHFFFAOYSA-N 0 0 216.269 2.179 50 0 BEAARN CC(C)C(=O)OCCOc1ccccc1 ZINC000001757674 342712347 /nfs/dbraw/zinc/71/23/47/342712347.db2.gz MJTPMXWJHPOWGH-UHFFFAOYSA-N 0 0 208.257 2.265 50 0 endogenous,in-man BEAARN COC(=O)CCC(Cl)(Cl)Cl ZINC000001871643 342713201 /nfs/dbraw/zinc/71/32/01/342713201.db2.gz OTEHQWOCCPLELJ-UHFFFAOYSA-N 0 0 205.468 2.310 50 0 BEAARN CCCC[C@@H](CC)CNC(=O)CC(C)=O ZINC000002166629 342716550 /nfs/dbraw/zinc/71/65/50/342716550.db2.gz FVFRXXNXIQJSEB-LLVKDONJSA-N 0 0 213.321 2.298 50 0 BEAARN Cc1c(N)cc(F)cc1Br ZINC000002243129 342717327 /nfs/dbraw/zinc/71/73/27/342717327.db2.gz DSYSVUWIAUMZDQ-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN O=c1[nH]c2ccccc2nc1/C=C/c1ccccn1 ZINC000004086158 342742031 /nfs/dbraw/zinc/74/20/31/342742031.db2.gz YKUZPPLSIAFQNK-CMDGGOBGSA-N 0 0 249.273 2.489 50 0 BEAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)NC(C)C ZINC000004163478 342743367 /nfs/dbraw/zinc/74/33/67/342743367.db2.gz UAAMTRUBYDBTCA-UHFFFAOYSA-N 0 0 244.294 2.184 50 0 BEAARN O=c1cc(Cl)nc2ccc(Cl)cn12 ZINC000004218945 342744645 /nfs/dbraw/zinc/74/46/45/342744645.db2.gz NTUDDGZNPQEOQZ-UHFFFAOYSA-N 0 0 215.039 2.001 50 0 BEAARN Cc1[nH]nc(C(F)(F)F)c1Br ZINC000004241968 342745121 /nfs/dbraw/zinc/74/51/21/342745121.db2.gz PDSOUBXNWWZCNB-UHFFFAOYSA-N 0 0 228.999 2.499 50 0 BEAARN CC(C)(C)N[S@](=O)c1ccsc1 ZINC000004668715 342750305 /nfs/dbraw/zinc/75/03/05/342750305.db2.gz QYVFYBIJYDHNMQ-LBPRGKRZSA-N 0 0 203.332 2.159 50 0 BEAARN CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1CO ZINC000004287386 342746046 /nfs/dbraw/zinc/74/60/46/342746046.db2.gz JNQNQSCDMKNYEX-LLVKDONJSA-N 0 0 249.310 2.345 50 0 BEAARN COC[C@H](Cc1ccccc1)NCC(F)F ZINC000253393596 398279285 /nfs/dbraw/zinc/27/92/85/398279285.db2.gz SIPLTONUAMOQAF-NSHDSACASA-N 0 0 229.270 2.099 50 0 BEAARN COC[C@@H](Cc1ccccc1)NCC(F)F ZINC000253393592 398279308 /nfs/dbraw/zinc/27/93/08/398279308.db2.gz SIPLTONUAMOQAF-LLVKDONJSA-N 0 0 229.270 2.099 50 0 BEAARN COc1cc(NC(=O)OC(C)(C)C)ccn1 ZINC000004352713 342747063 /nfs/dbraw/zinc/74/70/63/342747063.db2.gz WEUYGTAUMMZAFC-UHFFFAOYSA-N 0 0 224.260 2.437 50 0 BEAARN CCOc1cc(N)ccc1Br ZINC000002511695 342721741 /nfs/dbraw/zinc/72/17/41/342721741.db2.gz QQAPQSYFPIYHGU-UHFFFAOYSA-N 0 0 216.078 2.430 50 0 BEAARN O=C(c1ccc(CN2CCC2)cc1)C1CC1 ZINC000002514647 342722036 /nfs/dbraw/zinc/72/20/36/342722036.db2.gz HCHOASKTNXRMIR-UHFFFAOYSA-N 0 0 215.296 2.485 50 0 BEAARN CCOc1ccccc1CC1OCCO1 ZINC000002529071 342722920 /nfs/dbraw/zinc/72/29/20/342722920.db2.gz VABGVBFTTMFRIV-UHFFFAOYSA-N 0 0 208.257 2.001 50 0 BEAARN CCOc1cccc2[nH]c(C(=O)OC)cc21 ZINC000002534137 342723096 /nfs/dbraw/zinc/72/30/96/342723096.db2.gz VMNUFWQWKXLZLL-UHFFFAOYSA-N 0 0 219.240 2.353 50 0 BEAARN CCOc1ccccc1C1N=NC(=S)N1C ZINC000002536712 342723283 /nfs/dbraw/zinc/72/32/83/342723283.db2.gz BKLGQMGJSHHOCE-UHFFFAOYSA-N 0 0 235.312 2.170 50 0 BEAARN Nc1cc2c(cc1Cl)OC(F)(F)O2 ZINC000002540254 342723522 /nfs/dbraw/zinc/72/35/22/342723522.db2.gz DJBHURPHBJCVAN-UHFFFAOYSA-N 0 0 207.563 2.244 50 0 BEAARN COC(=O)[C@H](CC(C)C)NCc1ccccc1 ZINC000002540498 342723542 /nfs/dbraw/zinc/72/35/42/342723542.db2.gz LITWZVHRFAQHQA-ZDUSSCGKSA-N 0 0 235.327 2.364 50 0 BEAARN CC(C)(C)OC(=O)NC[C@H](O)c1ccccc1 ZINC000002541618 342723552 /nfs/dbraw/zinc/72/35/52/342723552.db2.gz FSRZPRRAZVZKFE-NSHDSACASA-N 0 0 237.299 2.245 50 0 BEAARN Cn1c(=O)c(C=O)c(Cl)c2ccccc21 ZINC000002557572 342724005 /nfs/dbraw/zinc/72/40/05/342724005.db2.gz HXFNBXZHPBNABA-UHFFFAOYSA-N 0 0 221.643 2.004 50 0 BEAARN CC(C)(C)OC(=O)c1ccccc1C=O ZINC000002577987 342725272 /nfs/dbraw/zinc/72/52/72/342725272.db2.gz AMGDHQPXAGWBSF-UHFFFAOYSA-N 0 0 206.241 2.454 50 0 BEAARN Cc1cc(F)cc(Br)c1N ZINC000002575706 342725296 /nfs/dbraw/zinc/72/52/96/342725296.db2.gz VTWSBILIFIFEFG-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000002576729 342725340 /nfs/dbraw/zinc/72/53/40/342725340.db2.gz ADERVFSKRRBTBO-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCO1 ZINC000002773676 342726976 /nfs/dbraw/zinc/72/69/76/342726976.db2.gz VWFLYEWALAAOCG-GXTWGEPZSA-N 0 0 247.338 2.303 50 0 BEAARN CCOc1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000002748056 342727086 /nfs/dbraw/zinc/72/70/86/342727086.db2.gz JNMGCEHRYHZUCP-LBPRGKRZSA-N 0 0 235.283 2.203 50 0 BEAARN COC[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000002800921 342727200 /nfs/dbraw/zinc/72/72/00/342727200.db2.gz TZOFBJFVVRELPS-QMMMGPOBSA-N 0 0 227.691 2.105 50 0 BEAARN COC(=O)CCCN(C)c1ccccc1 ZINC000037286310 361871313 /nfs/dbraw/zinc/87/13/13/361871313.db2.gz AWSLEHLTQLYNAY-UHFFFAOYSA-N 0 0 207.273 2.076 50 0 BEAARN NNc1ccc(Cl)cc1Br ZINC000003676537 342736321 /nfs/dbraw/zinc/73/63/21/342736321.db2.gz OJMHGYZZACDGPA-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN Nc1n[nH]c(-c2cccc3ccccc32)n1 ZINC000003723241 342737215 /nfs/dbraw/zinc/73/72/15/342737215.db2.gz RWDMSXRQOHSDKA-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN Cc1ccc(C[NH+]2CCC(C(=O)[O-])CC2)cc1 ZINC000003747670 342737375 /nfs/dbraw/zinc/73/73/75/342737375.db2.gz HYRQDCFLAKBULE-UHFFFAOYSA-N 0 0 233.311 2.292 50 0 BEAARN Nc1n[nH]c2ccc(C(F)(F)F)cc12 ZINC000003883311 342738977 /nfs/dbraw/zinc/73/89/77/342738977.db2.gz ZXZTZRVCWTWKCH-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 BEAARN Cc1c(C)n(Cc2ccco2)c2ncnc(N)c12 ZINC000003888754 342739061 /nfs/dbraw/zinc/73/90/61/342739061.db2.gz JOCMWXDUQHVTDD-UHFFFAOYSA-N 0 0 242.282 2.272 50 0 BEAARN CCN(CC)C(=O)c1ccc(F)cc1F ZINC000004810960 342752818 /nfs/dbraw/zinc/75/28/18/342752818.db2.gz GCKOFNYCLGWGCO-UHFFFAOYSA-N 0 0 213.227 2.447 50 0 BEAARN CCOc1cccc(CN2CC(O)(CC)C2)c1 ZINC000170619355 361890606 /nfs/dbraw/zinc/89/06/06/361890606.db2.gz GMIGJDVFWMSHFB-UHFFFAOYSA-N 0 0 235.327 2.042 50 0 BEAARN COCCCCOC(=O)c1csc(C)n1 ZINC000170621166 361890915 /nfs/dbraw/zinc/89/09/15/361890915.db2.gz DOWNROCETSCWSZ-UHFFFAOYSA-N 0 0 229.301 2.035 50 0 BEAARN Nc1ccccc1-c1nnc(-c2ccncc2)o1 ZINC000004998600 342756381 /nfs/dbraw/zinc/75/63/81/342756381.db2.gz UZFZCILKWNQMBU-UHFFFAOYSA-N 0 0 238.250 2.381 50 0 BEAARN CC(=O)c1ccc(NC(=O)c2cc(C)no2)cc1 ZINC000005006646 342756633 /nfs/dbraw/zinc/75/66/33/342756633.db2.gz NELXOQUUMAAZSB-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN CCC(CC)NC(=O)c1ccc2[nH]cnc2c1 ZINC000013479321 168386133 /nfs/dbraw/zinc/38/61/33/168386133.db2.gz CKBQIGHTRVEAAC-UHFFFAOYSA-N 0 0 231.299 2.481 50 0 BEAARN CCC(CC)NC(=O)c1ccc2c(c1)OCO2 ZINC000004524701 168386365 /nfs/dbraw/zinc/38/63/65/168386365.db2.gz ABUVIPSQXPOCIB-UHFFFAOYSA-N 0 0 235.283 2.334 50 0 BEAARN Cc1cccc2c3nc(C4CC4)nn3cnc12 ZINC000170614817 361877289 /nfs/dbraw/zinc/87/72/89/361877289.db2.gz XVGAARAVTOSAMK-UHFFFAOYSA-N 0 0 224.267 2.463 50 0 BEAARN Nc1cc(F)ccc1-c1n[nH]c(C2CCC2)n1 ZINC000170614816 361877580 /nfs/dbraw/zinc/87/75/80/361877580.db2.gz CYMCGCNLCGXAEZ-UHFFFAOYSA-N 0 0 232.262 2.461 50 0 BEAARN CCCCCCNC(=O)c1sc(N)nc1C ZINC000005502221 342764786 /nfs/dbraw/zinc/76/47/86/342764786.db2.gz BSFLDYRFIPRYBA-UHFFFAOYSA-N 0 0 241.360 2.344 50 0 BEAARN CCSc1nnc2[nH]c3ccccc3n21 ZINC000005489397 342764922 /nfs/dbraw/zinc/76/49/22/342764922.db2.gz BBQNJVMJFMZWON-UHFFFAOYSA-N 0 0 218.285 2.323 50 0 BEAARN CCOc1ccc(Nc2nc(O)cs2)cc1 ZINC000005512019 342765096 /nfs/dbraw/zinc/76/50/96/342765096.db2.gz XOAGWHBBYSSMOR-UHFFFAOYSA-N 0 0 236.296 2.127 50 0 BEAARN CSc1ccc(-c2cc(N)n[nH]2)cc1 ZINC000005593475 342766784 /nfs/dbraw/zinc/76/67/84/342766784.db2.gz MOPGQVQDCKMELZ-UHFFFAOYSA-N 0 0 205.286 2.381 50 0 BEAARN CN1C(=S)N=NC1c1ccc2ccccc2n1 ZINC000005730877 342769041 /nfs/dbraw/zinc/76/90/41/342769041.db2.gz RFMUZUZVJLPJFK-UHFFFAOYSA-N 0 0 242.307 2.319 50 0 BEAARN CCc1cc(C(=O)NCc2ccc(F)cc2)no1 ZINC000008592826 342800877 /nfs/dbraw/zinc/80/08/77/342800877.db2.gz YRVFLFBFGHTOQE-UHFFFAOYSA-N 0 0 248.257 2.306 50 0 BEAARN CCc1cc(C(=O)NCc2ccccc2)no1 ZINC000008592829 342800995 /nfs/dbraw/zinc/80/09/95/342800995.db2.gz NZXOLEIVQFVCGU-UHFFFAOYSA-N 0 0 230.267 2.167 50 0 BEAARN Cc1cc(=O)[nH]c2c1c(-c1cccs1)nn2C ZINC000008637164 342801484 /nfs/dbraw/zinc/80/14/84/342801484.db2.gz LLJHHBOKKIUZTE-UHFFFAOYSA-N 0 0 245.307 2.299 50 0 BEAARN CC[C@H]1CN(C(=O)c2ccc(C)s2)CCO1 ZINC000040062974 538970845 /nfs/dbraw/zinc/97/08/45/538970845.db2.gz UUTYVTJEFJQVRH-JTQLQIEISA-N 0 0 239.340 2.308 50 0 BEAARN Cc1c(O)cc2n(c1=O)-c1ccccc1C2(C)C ZINC000006556305 342779241 /nfs/dbraw/zinc/77/92/41/342779241.db2.gz RIEJCPXMBZAQCR-UHFFFAOYSA-N 0 0 241.290 2.491 50 0 BEAARN O=C1CCCN1c1nc2ccccc2s1 ZINC000006654410 342780246 /nfs/dbraw/zinc/78/02/46/342780246.db2.gz IPVOAMZAIZLBIF-UHFFFAOYSA-N 0 0 218.281 2.423 50 0 BEAARN CCCc1nnc2sc(-c3ccccn3)nn12 ZINC000006662439 342780737 /nfs/dbraw/zinc/78/07/37/342780737.db2.gz CKYVKKJTZHMUBW-UHFFFAOYSA-N 0 0 245.311 2.200 50 0 BEAARN O=S1(=O)C=C[C@H](Nc2ccccc2Cl)C1 ZINC000006730623 342781693 /nfs/dbraw/zinc/78/16/93/342781693.db2.gz JBHROEWOHMPKAT-QMMMGPOBSA-N 0 0 243.715 2.063 50 0 BEAARN Cc1ccc(C(=O)CSc2nc[nH]n2)cc1C ZINC000006858171 342784637 /nfs/dbraw/zinc/78/46/37/342784637.db2.gz YVDYHAJIRUTIMK-UHFFFAOYSA-N 0 0 247.323 2.397 50 0 BEAARN C[C@H](CC(=O)Nc1ccc(F)cc1)n1cncn1 ZINC000007616323 342792325 /nfs/dbraw/zinc/79/23/25/342792325.db2.gz IQUABQRSEXBJMH-SECBINFHSA-N 0 0 248.261 2.007 50 0 BEAARN Cc1cnn([C@@H](C)c2n[nH]c(=S)n2C2CC2)c1 ZINC000002787825 342793265 /nfs/dbraw/zinc/79/32/65/342793265.db2.gz HWOUXDIAEXABCW-QMMMGPOBSA-N 0 0 249.343 2.390 50 0 BEAARN O=c1[nH]c(N2CCCC2)cn1-c1ccccc1 ZINC000002821205 342794735 /nfs/dbraw/zinc/79/47/35/342794735.db2.gz BXLBYHFJYJBZRL-UHFFFAOYSA-N 0 0 229.283 2.121 50 0 BEAARN COc1cc(N)ccc1-n1nc(C)cc1C ZINC000008409863 342798930 /nfs/dbraw/zinc/79/89/30/342798930.db2.gz WBRALSDLFWUYFP-UHFFFAOYSA-N 0 0 217.272 2.080 50 0 BEAARN CC[C@@H]1C[C@@H]1NC(=O)[C@@H]1COc2ccccc21 ZINC000170627002 361909220 /nfs/dbraw/zinc/90/92/20/361909220.db2.gz WOFIRLDXWZDIPP-JLLWLGSASA-N 0 0 231.295 2.077 50 0 BEAARN Cc1cc(N)n(Cc2ccc(C)cc2)n1 ZINC000009489251 342818489 /nfs/dbraw/zinc/81/84/89/342818489.db2.gz VMZUPYIEUSWZSU-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN C[C@@H](O)c1cccc(NC(=O)C2CC2)c1 ZINC000035646407 342803651 /nfs/dbraw/zinc/80/36/51/342803651.db2.gz YLYXZFCKSHAXKM-MRVPVSSYSA-N 0 0 205.257 2.088 50 0 BEAARN CCN(CC)C(=O)c1ccc(N)cc1Cl ZINC000008732471 342803965 /nfs/dbraw/zinc/80/39/65/342803965.db2.gz RJFITOJPVXDCPN-UHFFFAOYSA-N 0 0 226.707 2.404 50 0 BEAARN Nc1ccc(Cl)c(C(=O)N2CCCC2)c1 ZINC000008732446 342804105 /nfs/dbraw/zinc/80/41/05/342804105.db2.gz SIWKSBBKJLKFPF-UHFFFAOYSA-N 0 0 224.691 2.158 50 0 BEAARN CC(C)(C)NC(=S)NCCc1ccccc1 ZINC000008829906 342805270 /nfs/dbraw/zinc/80/52/70/342805270.db2.gz VHGFLRYQABMYBO-UHFFFAOYSA-N 0 0 236.384 2.492 50 0 BEAARN CCc1c(C)nc(Nc2ccccc2)[nH]c1=O ZINC000009939322 342829865 /nfs/dbraw/zinc/82/98/65/342829865.db2.gz HJZCWLIMGLKKTR-UHFFFAOYSA-N 0 0 229.283 2.384 50 0 BEAARN Nc1cncc(-c2ncccc2Cl)c1 ZINC000043119835 342838748 /nfs/dbraw/zinc/83/87/48/342838748.db2.gz BEGNPWGKIJIWKY-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN Nc1ccc(NCCc2ccccc2)nc1 ZINC000011757345 342843330 /nfs/dbraw/zinc/84/33/30/342843330.db2.gz GQRLTCXCRVBCQF-UHFFFAOYSA-N 0 0 213.284 2.318 50 0 BEAARN CCc1ccc(-c2nc(SCCO)n[nH]2)cc1 ZINC000010030068 361996733 /nfs/dbraw/zinc/99/67/33/361996733.db2.gz XBOKWSNVZCINQE-UHFFFAOYSA-N 0 0 249.339 2.119 50 0 BEAARN CCN(Cc1ccc(Cl)s1)C(=O)COC ZINC000042470257 362001482 /nfs/dbraw/zinc/00/14/82/362001482.db2.gz ZBUNKYCGUHTQCM-UHFFFAOYSA-N 0 0 247.747 2.396 50 0 BEAARN CON(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000012336374 342849221 /nfs/dbraw/zinc/84/92/21/342849221.db2.gz PAXXRRIUUCZPEU-UHFFFAOYSA-N 0 0 233.189 2.339 50 0 BEAARN Nc1cc(F)ccc1-n1cc(Cl)cn1 ZINC000012395385 342851036 /nfs/dbraw/zinc/85/10/36/342851036.db2.gz IJPHINKTTXLZCF-UHFFFAOYSA-N 0 0 211.627 2.247 50 0 BEAARN CCCn1cc2c(n1)[nH]c(=O)cc2C(F)(F)F ZINC000012398130 342851356 /nfs/dbraw/zinc/85/13/56/342851356.db2.gz YLBHCCPZRYXJDO-UHFFFAOYSA-N 0 0 245.204 2.153 50 0 BEAARN O=C1Cc2cc(OC(F)(F)F)ccc2N1 ZINC000012471834 342852510 /nfs/dbraw/zinc/85/25/10/342852510.db2.gz NJZFZLIOCDIELL-UHFFFAOYSA-N 0 0 217.146 2.080 50 0 BEAARN Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000012505142 342852763 /nfs/dbraw/zinc/85/27/63/342852763.db2.gz HFOLSRFQZMMEAA-UHFFFAOYSA-N 0 0 210.664 2.049 50 0 BEAARN Cc1cc(-c2ccc(F)cc2F)nc(N)n1 ZINC000032590344 342854170 /nfs/dbraw/zinc/85/41/70/342854170.db2.gz IEQRMXRIQZQWGU-UHFFFAOYSA-N 0 0 221.210 2.312 50 0 BEAARN CC[C@]1(C)CC(=O)c2cc(N)ccc2O1 ZINC000012647908 342856013 /nfs/dbraw/zinc/85/60/13/342856013.db2.gz MGMIRIXEBOIMGO-GFCCVEGCSA-N 0 0 205.257 2.403 50 0 BEAARN C[C@H](C(=O)N1CCc2ccccc21)n1cccn1 ZINC000012917572 342861064 /nfs/dbraw/zinc/86/10/64/342861064.db2.gz ISHYLCOUJUSFIB-LLVKDONJSA-N 0 0 241.294 2.033 50 0 BEAARN O=C(CCc1ccco1)Nc1nccs1 ZINC000012946586 342861724 /nfs/dbraw/zinc/86/17/24/342861724.db2.gz ULSNSKVLQIOHBI-UHFFFAOYSA-N 0 0 222.269 2.307 50 0 BEAARN CC(C)c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000012974265 342862194 /nfs/dbraw/zinc/86/21/94/342862194.db2.gz XIVZJAUXULTHIX-UHFFFAOYSA-N 0 0 247.338 2.407 50 0 BEAARN CC(C)(C)OC(=O)NCc1cccnc1 ZINC000012958745 342862283 /nfs/dbraw/zinc/86/22/83/342862283.db2.gz PHQXGCNECRISKB-UHFFFAOYSA-N 0 0 208.261 2.106 50 0 BEAARN Cn1c(CCc2ccccc2)n[nH]c1=S ZINC000013115220 342863811 /nfs/dbraw/zinc/86/38/11/342863811.db2.gz KISPWNDSNLAABQ-UHFFFAOYSA-N 0 0 219.313 2.263 50 0 BEAARN CC[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC000013135750 342863935 /nfs/dbraw/zinc/86/39/35/342863935.db2.gz LVYIHIWNCGZDGT-LBPRGKRZSA-N 0 0 235.331 2.064 50 0 BEAARN CCOc1ccc(C(=O)Nc2ccon2)cc1 ZINC000013745744 342871246 /nfs/dbraw/zinc/87/12/46/342871246.db2.gz UYKQBKDESBWDAI-UHFFFAOYSA-N 0 0 232.239 2.326 50 0 BEAARN CC(C)CNC(=O)[C@@H](C)Sc1ccccn1 ZINC000032774302 342874402 /nfs/dbraw/zinc/87/44/02/342874402.db2.gz RVUPUEWPXNMPOF-SNVBAGLBSA-N 0 0 238.356 2.334 50 0 BEAARN CC(C)CNC(=O)[C@H](C)Sc1ccccn1 ZINC000032774304 342874576 /nfs/dbraw/zinc/87/45/76/342874576.db2.gz RVUPUEWPXNMPOF-JTQLQIEISA-N 0 0 238.356 2.334 50 0 BEAARN O=S(=O)(c1ccccc1)N1CCCCCC1 ZINC000003160576 346869657 /nfs/dbraw/zinc/86/96/57/346869657.db2.gz SYWRFUXCKANUHS-UHFFFAOYSA-N 0 0 239.340 2.251 50 0 BEAARN CON(C)C(=O)COc1ccc2ccccc2c1 ZINC000012869216 342859704 /nfs/dbraw/zinc/85/97/04/342859704.db2.gz WWHZSGWZISIACF-UHFFFAOYSA-N 0 0 245.278 2.238 50 0 BEAARN COC(=O)COc1ccccc1Br ZINC000015423314 342896028 /nfs/dbraw/zinc/89/60/28/342896028.db2.gz DGZGLCBUVMGUCE-UHFFFAOYSA-N 0 0 245.072 2.001 50 0 BEAARN CC(C)CS[C@H](C)C(=O)NCC(F)(F)F ZINC000097173520 398319101 /nfs/dbraw/zinc/31/91/01/398319101.db2.gz LBIMXZRYKVPQDE-SSDOTTSWSA-N 0 0 243.294 2.443 50 0 BEAARN COCNC(=O)Nc1ccc(Cl)cc1 ZINC000003176908 398321043 /nfs/dbraw/zinc/32/10/43/398321043.db2.gz NJPPSDVWQSJTRC-UHFFFAOYSA-N 0 0 214.652 2.065 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)C(C)(C)C)on1 ZINC000078652686 398313207 /nfs/dbraw/zinc/31/32/07/398313207.db2.gz XUWPZEYSMVNSKG-MRVPVSSYSA-N 0 0 210.277 2.147 50 0 BEAARN CCCCSc1ncnc2[nH]cnc21 ZINC000014982348 342890096 /nfs/dbraw/zinc/89/00/96/342890096.db2.gz VSDRAVPZXXXJDG-UHFFFAOYSA-N 0 0 208.290 2.245 50 0 BEAARN Cc1c(N)cccc1I ZINC000014983276 342890121 /nfs/dbraw/zinc/89/01/21/342890121.db2.gz UZEAHFLEZWXHCE-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN O=C1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000003161542 346870412 /nfs/dbraw/zinc/87/04/12/346870412.db2.gz YQBZNNFVXOBDSJ-AAEUAGOBSA-N 0 0 204.269 2.479 50 0 BEAARN CC(C)CC(=O)NC[C@H](c1ccco1)N(C)C ZINC000015831498 342901801 /nfs/dbraw/zinc/90/18/01/342901801.db2.gz PNPAHZSWXVPEKM-LLVKDONJSA-N 0 0 238.331 2.045 50 0 BEAARN O=c1[nH]cc(Br)c2sccc21 ZINC000016955871 342917929 /nfs/dbraw/zinc/91/79/29/342917929.db2.gz IFGFCNNLXIUQIV-UHFFFAOYSA-N 0 0 230.086 2.352 50 0 BEAARN CCCCS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000016971664 342918297 /nfs/dbraw/zinc/91/82/97/342918297.db2.gz PXEQYQVGWPQRRD-PHIMTYICSA-N 0 0 233.377 2.094 50 0 BEAARN O=c1[nH]cnc2cc(Cl)c(Cl)cc21 ZINC000017002433 342918825 /nfs/dbraw/zinc/91/88/25/342918825.db2.gz UESAHLRLKCVJGK-UHFFFAOYSA-N 0 0 215.039 2.230 50 0 BEAARN CCCCCc1c(C)[nH]c(=S)[nH]c1=O ZINC000018144626 342932254 /nfs/dbraw/zinc/93/22/54/342932254.db2.gz ZVZPDHKUUVROKS-UHFFFAOYSA-N 0 0 212.318 2.474 50 0 BEAARN CCn1nccc1C(=O)Nc1ccccc1C ZINC000011696014 346876587 /nfs/dbraw/zinc/87/65/87/346876587.db2.gz NILUZWGQBANEAT-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN Cc1cnn(Cc2ccc(Cl)cc2)c1N ZINC000019091176 342941292 /nfs/dbraw/zinc/94/12/92/342941292.db2.gz OAYIBJLYOMOQAD-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000019267448 342944923 /nfs/dbraw/zinc/94/49/23/342944923.db2.gz UKKALNOCJIYBPA-UHFFFAOYSA-N 0 0 242.278 2.286 50 0 BEAARN Cc1ccc(Cn2c(CO)c[nH]c2=S)cc1 ZINC000019724507 342954472 /nfs/dbraw/zinc/95/44/72/342954472.db2.gz UIPANRBZYXMECB-UHFFFAOYSA-N 0 0 234.324 2.395 50 0 BEAARN Nc1ccc(I)c(F)c1 ZINC000019616304 342952505 /nfs/dbraw/zinc/95/25/05/342952505.db2.gz KUVVJHBHRIXJKI-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN Clc1cccc(OCCN2CCOCC2)c1 ZINC000019639587 342952811 /nfs/dbraw/zinc/95/28/11/342952811.db2.gz IYFRXRADMBHKLH-UHFFFAOYSA-N 0 0 241.718 2.051 50 0 BEAARN COC(=O)[C@@H]1CCCCN1CCc1ccccc1 ZINC000048232249 342957029 /nfs/dbraw/zinc/95/70/29/342957029.db2.gz QYYRTPZVRWROOC-AWEZNQCLSA-N 0 0 247.338 2.257 50 0 BEAARN Cc1cc(=O)[nH]c2c1c(=O)[nH]n2C1CCCCC1 ZINC000005687157 346903448 /nfs/dbraw/zinc/90/34/48/346903448.db2.gz PMELVCRPKKQULZ-UHFFFAOYSA-N 0 0 247.298 2.244 50 0 BEAARN O=C([O-])[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000019787900 342957759 /nfs/dbraw/zinc/95/77/59/342957759.db2.gz ZDXNEKQUNUDUPG-CYBMUJFWSA-N 0 0 233.311 2.168 50 0 BEAARN Nc1ncc(Cl)cc1Br ZINC000019721329 342954562 /nfs/dbraw/zinc/95/45/62/342954562.db2.gz UWGGGYYCKDCTGN-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CC(C)COc1ccc(C(=O)N(C)C)cc1 ZINC000020117171 342969493 /nfs/dbraw/zinc/96/94/93/342969493.db2.gz BVQRSSMBRDXGMA-UHFFFAOYSA-N 0 0 221.300 2.423 50 0 BEAARN CCOc1ccc(/C=C/C(=O)OC)cc1 ZINC000020133921 342971117 /nfs/dbraw/zinc/97/11/17/342971117.db2.gz XTZZULGXHUQOEN-RMKNXTFCSA-N 0 0 206.241 2.272 50 0 BEAARN Nc1cccc(CC(=O)OC2CCCC2)c1 ZINC000020154998 342972639 /nfs/dbraw/zinc/97/26/39/342972639.db2.gz CLTMECOPJWZBFZ-UHFFFAOYSA-N 0 0 219.284 2.297 50 0 BEAARN Nc1ccccc1-c1nc(-c2ccccn2)no1 ZINC000020159537 342973217 /nfs/dbraw/zinc/97/32/17/342973217.db2.gz JKPMWUHRDUMXKK-UHFFFAOYSA-N 0 0 238.250 2.381 50 0 BEAARN CC(C)CNC(=O)c1ccc(N)cc1Cl ZINC000020220851 342977679 /nfs/dbraw/zinc/97/76/79/342977679.db2.gz RVCMRMJVIZDNEK-UHFFFAOYSA-N 0 0 226.707 2.308 50 0 BEAARN Cc1c(C)c(Br)cnc1N ZINC000019943383 342963966 /nfs/dbraw/zinc/96/39/66/342963966.db2.gz YAVKJNIMFGZBSY-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN CCCn1c(CC)nc2ccccc2c1=O ZINC000019989899 342966123 /nfs/dbraw/zinc/96/61/23/342966123.db2.gz ZIMFYUBAVNPVMC-UHFFFAOYSA-N 0 0 216.284 2.369 50 0 BEAARN Nc1ccc(OCc2ccncc2)c(F)c1 ZINC000020352214 342982816 /nfs/dbraw/zinc/98/28/16/342982816.db2.gz OZJMUNLTHBORMB-UHFFFAOYSA-N 0 0 218.231 2.382 50 0 BEAARN COC(=O)Cc1ccc(OCC(F)(F)F)cc1 ZINC000020348976 342982821 /nfs/dbraw/zinc/98/28/21/342982821.db2.gz YGRMEWVUYCFYSX-UHFFFAOYSA-N 0 0 248.200 2.343 50 0 BEAARN Clc1cccc(CNc2nc[nH]n2)c1 ZINC000020437306 342985396 /nfs/dbraw/zinc/98/53/96/342985396.db2.gz RPUSEKYQGBUZKI-UHFFFAOYSA-N 0 0 208.652 2.070 50 0 BEAARN CCN(Cc1ccncc1)C(=O)c1ccncc1 ZINC000020496293 342987836 /nfs/dbraw/zinc/98/78/36/342987836.db2.gz DROJLCSUZFFPCX-UHFFFAOYSA-N 0 0 241.294 2.139 50 0 BEAARN Cn1cc(C(=O)Nc2ccccc2Cl)cn1 ZINC000020886393 342997293 /nfs/dbraw/zinc/99/72/93/342997293.db2.gz BPFVIXVSCNYTCW-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN CCCCC[C@H](O)/C=C/C(OC)OC ZINC000022309204 343046095 /nfs/dbraw/zinc/04/60/95/343046095.db2.gz ATGIHMSJAARJTF-DDXVTDLHSA-N 0 0 202.294 2.103 50 0 in-vitro BEAARN CCN(CC[NH+](C)C)Cc1cc(F)ccc1F ZINC000022455300 343049451 /nfs/dbraw/zinc/04/94/51/343049451.db2.gz HKTHKGAJEZGHPU-UHFFFAOYSA-N 0 0 242.313 2.348 50 0 BEAARN CCCCCC[C@H]1C[C@H](C)N(CCO)C1=O ZINC000005244900 343050532 /nfs/dbraw/zinc/05/05/32/343050532.db2.gz OGJHQQJFKJKOEB-RYUDHWBXSA-N 0 0 227.348 2.186 50 0 BEAARN Cc1ccc2c(nn3c2nc(C)cc3C)n1 ZINC000023115015 343059219 /nfs/dbraw/zinc/05/92/19/343059219.db2.gz QAVNGKYIJQGHKN-UHFFFAOYSA-N 0 0 212.256 2.203 50 0 BEAARN CCOC(=O)c1cc(C(C)=O)c(C)[nH]c1=S ZINC000005905748 343061044 /nfs/dbraw/zinc/06/10/44/343061044.db2.gz FRFGCRZMDCQJKT-UHFFFAOYSA-N 0 0 239.296 2.432 50 0 BEAARN Cc1cc(C(=O)NCCc2cccnc2)c(C)o1 ZINC000023874924 343067925 /nfs/dbraw/zinc/06/79/25/343067925.db2.gz RRLPVJUXOCRFMD-UHFFFAOYSA-N 0 0 244.294 2.264 50 0 BEAARN Nc1nc(Cl)cc(NC2CCCCC2)n1 ZINC000024056212 343068704 /nfs/dbraw/zinc/06/87/04/343068704.db2.gz CVZJINMPNIFLSH-UHFFFAOYSA-N 0 0 226.711 2.457 50 0 BEAARN CC(C)CCC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000024988320 343082732 /nfs/dbraw/zinc/08/27/32/343082732.db2.gz VSZTYVKOVWAZEX-GFCCVEGCSA-N 0 0 249.358 2.350 50 0 BEAARN Cc1nc(CNC(=O)NC2CCCC2)cs1 ZINC000042823329 362028278 /nfs/dbraw/zinc/02/82/78/362028278.db2.gz XUOULFDPOHFEAP-UHFFFAOYSA-N 0 0 239.344 2.193 50 0 BEAARN CCc1nc(CCNC(=O)C2CC2)sc1C ZINC000071854143 362045635 /nfs/dbraw/zinc/04/56/35/362045635.db2.gz CVLUGGKEYMRPTO-UHFFFAOYSA-N 0 0 238.356 2.083 50 0 BEAARN CCCn1ccc2c(O)cccc2c1=O ZINC000026421371 343104841 /nfs/dbraw/zinc/10/48/41/343104841.db2.gz NAZDTCOZWQNPGX-UHFFFAOYSA-N 0 0 203.241 2.117 50 0 BEAARN COC(=O)c1sc(N)nc1-c1ccccc1 ZINC000026771223 343108707 /nfs/dbraw/zinc/10/87/07/343108707.db2.gz CEMUUPHRYZQKGV-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN Cc1noc2ncc(C(=O)N[C@H](C)C3CC3)cc12 ZINC000025773411 343095575 /nfs/dbraw/zinc/09/55/75/343095575.db2.gz HCFZHUPZTPPBKA-SSDOTTSWSA-N 0 0 245.282 2.060 50 0 BEAARN Cn1ccc(NC(=O)CSc2ccccc2)n1 ZINC000027915598 343125756 /nfs/dbraw/zinc/12/57/56/343125756.db2.gz TVKFDGROLHBTRE-UHFFFAOYSA-N 0 0 247.323 2.151 50 0 BEAARN Cc1c(Cl)cccc1S(=O)(=O)NC1CC1 ZINC000070255406 343137982 /nfs/dbraw/zinc/13/79/82/343137982.db2.gz LRZVXXWHQKSIRB-UHFFFAOYSA-N 0 0 245.731 2.089 50 0 BEAARN Nc1cccc2c1cnn2[C@H]1CCCCO1 ZINC000030677790 343193248 /nfs/dbraw/zinc/19/32/48/343193248.db2.gz VXUKYBXQNXUXQM-GFCCVEGCSA-N 0 0 217.272 2.318 50 0 BEAARN Nc1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC000030677801 343193298 /nfs/dbraw/zinc/19/32/98/343193298.db2.gz BVMGAUOJVUEFSV-LBPRGKRZSA-N 0 0 217.272 2.318 50 0 BEAARN Nc1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC000030677794 343193479 /nfs/dbraw/zinc/19/34/79/343193479.db2.gz MMBUQRHOEINQHO-LBPRGKRZSA-N 0 0 217.272 2.318 50 0 BEAARN CCOc1ccc2ccccc2c1C(N)=O ZINC000033433372 343254367 /nfs/dbraw/zinc/25/43/67/343254367.db2.gz YYMKVSDVKRAHED-UHFFFAOYSA-N 0 0 215.252 2.337 50 0 BEAARN CC(=O)Nc1ncc(-c2ccc(O)cc2)s1 ZINC000032627446 343238868 /nfs/dbraw/zinc/23/88/68/343238868.db2.gz NHCQIFMCORNBMM-UHFFFAOYSA-N 0 0 234.280 2.474 50 0 BEAARN O=C(CCc1ccc(F)cc1)N1CCCC1 ZINC000032736111 343241492 /nfs/dbraw/zinc/24/14/92/343241492.db2.gz JBSXTFMTJPKWFW-UHFFFAOYSA-N 0 0 221.275 2.381 50 0 BEAARN Nc1n[nH]c2nc(C3CC3)c(Cl)cc12 ZINC000032911363 343244017 /nfs/dbraw/zinc/24/40/17/343244017.db2.gz GQCSDBLOEWYZNU-UHFFFAOYSA-N 0 0 208.652 2.071 50 0 BEAARN Fc1ccc2nc(Br)cn2c1 ZINC000032911311 343244063 /nfs/dbraw/zinc/24/40/63/343244063.db2.gz OTKAHNIDJZFOAV-UHFFFAOYSA-N 0 0 215.025 2.236 50 0 BEAARN CC(C)c1nc(-c2ccccc2N)n[nH]1 ZINC000032937878 343244662 /nfs/dbraw/zinc/24/46/62/343244662.db2.gz AQXJICYQPAOGGM-UHFFFAOYSA-N 0 0 202.261 2.177 50 0 BEAARN COc1ccc2cc(Br)cnc2n1 ZINC000238372842 343255650 /nfs/dbraw/zinc/25/56/50/343255650.db2.gz SDENQYQTQQVHFM-UHFFFAOYSA-N 0 0 239.072 2.401 50 0 BEAARN CC(C)C[C@@H](N)C(=O)OCc1ccccc1 ZINC000035024808 343283193 /nfs/dbraw/zinc/28/31/93/343283193.db2.gz MBRRYUQWSOODEO-GFCCVEGCSA-N 0 0 221.300 2.103 50 0 BEAARN CC(=O)N[C@@H](C(=O)Nc1cccc(C)c1)C(C)C ZINC000005704006 346932525 /nfs/dbraw/zinc/93/25/25/346932525.db2.gz GSLXXUCVJCSWIZ-CYBMUJFWSA-N 0 0 248.326 2.094 50 0 BEAARN O=C1C(c2ccccc2)=NOC12CCCC2 ZINC000000189834 343268762 /nfs/dbraw/zinc/26/87/62/343268762.db2.gz YGTNYBUBURVJNS-UHFFFAOYSA-N 0 0 215.252 2.303 50 0 BEAARN COc1cc(C(F)(F)F)cnc1OC ZINC000034382036 343268780 /nfs/dbraw/zinc/26/87/80/343268780.db2.gz YGZKUUOTWBKZIM-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN O=C1CSC2(O1)C1CC3CC(C1)CC2C3 ZINC000000301202 343269571 /nfs/dbraw/zinc/26/95/71/343269571.db2.gz IYDKKYIJUFCGQT-UHFFFAOYSA-N 0 0 224.325 2.429 50 0 BEAARN CSc1nnnn1-c1ccc(C)c(C)c1 ZINC000000464585 343269966 /nfs/dbraw/zinc/26/99/66/343269966.db2.gz DCTIULCLTCTERV-UHFFFAOYSA-N 0 0 220.301 2.001 50 0 BEAARN Cc1ccnc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000016672078 343271095 /nfs/dbraw/zinc/27/10/95/343271095.db2.gz TVFSDJFFWCMYQL-PHIMTYICSA-N 0 0 244.294 2.070 50 0 BEAARN Cc1ccc2[nH]c(CSC[C@@H](C)O)nc2c1 ZINC000022216080 343272389 /nfs/dbraw/zinc/27/23/89/343272389.db2.gz AMWKINUQLWJOJY-SECBINFHSA-N 0 0 236.340 2.485 50 0 BEAARN CCCCS(=O)(=O)CC(F)(F)C(F)F ZINC000002923700 343272591 /nfs/dbraw/zinc/27/25/91/343272591.db2.gz FLUNTZSBFAICPO-UHFFFAOYSA-N 0 0 236.230 2.102 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000034504294 343273280 /nfs/dbraw/zinc/27/32/80/343273280.db2.gz FJMJOYQGUPTRDF-VXGBXAGGSA-N 0 0 219.284 2.030 50 0 BEAARN Cn1c2ccccc2nc1[C@@H]1CCCO1 ZINC000006753067 343273876 /nfs/dbraw/zinc/27/38/76/343273876.db2.gz ZTYSFFXPOLZYHR-NSHDSACASA-N 0 0 202.257 2.425 50 0 BEAARN Clc1cc2c(cn1)n[nH]c2Br ZINC000034538805 343274385 /nfs/dbraw/zinc/27/43/85/343274385.db2.gz OIWHFIVQONMGEC-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CCCc1nnc2sc(-c3cc(C)c[nH]3)nn12 ZINC000071767828 343275834 /nfs/dbraw/zinc/27/58/34/343275834.db2.gz IVPDJFNENPFHMZ-UHFFFAOYSA-N 0 0 247.327 2.442 50 0 BEAARN COc1cc(Cl)c(O)c(C(C)=O)c1 ZINC000036719745 343322915 /nfs/dbraw/zinc/32/29/15/343322915.db2.gz BCPZFNZWDMYMJN-UHFFFAOYSA-N 0 0 200.621 2.257 50 0 BEAARN Clc1cc2nnc(-c3ccccc3)n2cn1 ZINC000036903849 343327319 /nfs/dbraw/zinc/32/73/19/343327319.db2.gz IIPKMOYEGNSODC-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN Clc1nc(Cl)c2ccncc2n1 ZINC000035269969 343291260 /nfs/dbraw/zinc/29/12/60/343291260.db2.gz YJUVYWACDUJBDG-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN Cc1nnc2n1NC/C(=C\c1ccccc1)S2 ZINC000035287292 343292825 /nfs/dbraw/zinc/29/28/25/343292825.db2.gz UHGKHHVILNOXPM-YRNVUSSQSA-N 0 0 244.323 2.277 50 0 BEAARN CCS(=O)(=O)c1ccccc1NC(C)C ZINC000035348469 343294764 /nfs/dbraw/zinc/29/47/64/343294764.db2.gz ROLYNLKIGJWNQC-UHFFFAOYSA-N 0 0 227.329 2.301 50 0 BEAARN COC(=O)c1cccn1C(=O)OC(C)(C)C ZINC000035569430 343297874 /nfs/dbraw/zinc/29/78/74/343297874.db2.gz BLKOYCNYVYTNAG-UHFFFAOYSA-N 0 0 225.244 2.058 50 0 BEAARN CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000037080205 343333194 /nfs/dbraw/zinc/33/31/94/343333194.db2.gz GZUTWXBQFCNNIN-UHFFFAOYSA-N 0 0 219.284 2.369 50 0 BEAARN Cc1ccc(I)c(O)c1 ZINC000038221756 343372753 /nfs/dbraw/zinc/37/27/53/343372753.db2.gz SYJGEJGXAKCKSI-UHFFFAOYSA-N 0 0 234.036 2.305 50 0 BEAARN [NH3+][C@@H](CCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000038478228 343375290 /nfs/dbraw/zinc/37/52/90/343375290.db2.gz VOINSBLLXKDEJC-VIFPVBQESA-N 0 0 247.216 2.050 50 0 BEAARN O=C1CCOc2cc(Br)ccc21 ZINC000038540761 343376720 /nfs/dbraw/zinc/37/67/20/343376720.db2.gz DMEAYYYHWLCPCD-UHFFFAOYSA-N 0 0 227.057 2.414 50 0 BEAARN O=C(c1cccc(F)c1)c1ccccn1 ZINC000037464000 343345899 /nfs/dbraw/zinc/34/58/99/343345899.db2.gz BWLDNQFSQDHACL-UHFFFAOYSA-N 0 0 201.200 2.452 50 0 BEAARN COc1cc(C=O)c(SC)cc1OC ZINC000037628157 343350074 /nfs/dbraw/zinc/35/00/74/343350074.db2.gz ZCLXCLRRCZYOTJ-UHFFFAOYSA-N 0 0 212.270 2.238 50 0 BEAARN CC(C)(C)OC(=O)[C@@H](N)c1ccccc1 ZINC000037729913 343352929 /nfs/dbraw/zinc/35/29/29/343352929.db2.gz HJLYKRGXTOVWFL-JTQLQIEISA-N 0 0 207.273 2.028 50 0 BEAARN Cc1ccc(CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000000464420 178518900 /nfs/dbraw/zinc/51/89/00/178518900.db2.gz UCOPVZIZENWXOX-STQMWFEESA-N 0 0 247.338 2.173 50 0 BEAARN Cc1ccc(CNC(=O)c2ccncc2)s1 ZINC000048599778 343380260 /nfs/dbraw/zinc/38/02/60/343380260.db2.gz OJJDDODGMPKYTR-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@H](CCCO)C1 ZINC000039151330 343386281 /nfs/dbraw/zinc/38/62/81/343386281.db2.gz DIQOZPGKFVICKN-LLVKDONJSA-N 0 0 243.347 2.406 50 0 BEAARN Nc1nc(-c2ccc3c(c2)COC3)cs1 ZINC000039947665 343393860 /nfs/dbraw/zinc/39/38/60/343393860.db2.gz BHNBQBTZJVHHHZ-UHFFFAOYSA-N 0 0 218.281 2.423 50 0 BEAARN CCCCCNC(=O)OCC(F)(F)F ZINC000039947470 343393909 /nfs/dbraw/zinc/39/39/09/343393909.db2.gz LKXHYLJLWMAHHQ-UHFFFAOYSA-N 0 0 213.199 2.465 50 0 BEAARN Cc1cnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)s1 ZINC000335691799 136325289 /nfs/dbraw/zinc/32/52/89/136325289.db2.gz GPBXDMUUTBXLMJ-KWQFWETISA-N 0 0 238.356 2.455 50 0 BEAARN Cn1ccc2nc(Cl)nc(Cl)c21 ZINC000040448729 343404203 /nfs/dbraw/zinc/40/42/03/343404203.db2.gz LYUFQUBRAUGFLK-UHFFFAOYSA-N 0 0 202.044 2.275 50 0 BEAARN CN(C)c1nc(N2CCCC2)nc2ccccc21 ZINC000041147074 343416211 /nfs/dbraw/zinc/41/62/11/343416211.db2.gz VONNLDQOEHSECV-UHFFFAOYSA-N 0 0 242.326 2.296 50 0 BEAARN c1csc(CNc2ncnc3n[nH]cc32)c1 ZINC000041123942 343416291 /nfs/dbraw/zinc/41/62/91/343416291.db2.gz HAVMNUHLMCCZJR-UHFFFAOYSA-N 0 0 231.284 2.027 50 0 BEAARN COC(=O)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000043808011 343484750 /nfs/dbraw/zinc/48/47/50/343484750.db2.gz HUSNZWYHFRIZPG-WCBMZHEXSA-N 0 0 205.257 2.147 50 0 BEAARN CC(C)(C)OC(=O)Nc1ncc(C=O)s1 ZINC000044139514 343493040 /nfs/dbraw/zinc/49/30/40/343493040.db2.gz LKFCHUSAPKBABQ-UHFFFAOYSA-N 0 0 228.273 2.303 50 0 BEAARN Fc1c2c[nH]nc2ccc1Br ZINC000043220564 343466310 /nfs/dbraw/zinc/46/63/10/343466310.db2.gz YJOQUFUSNSCGHN-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN CC(C)c1cc(C(=O)NCc2ccco2)[nH]n1 ZINC000044816828 343515653 /nfs/dbraw/zinc/51/56/53/343515653.db2.gz ZOIBSIFKEVKHHU-UHFFFAOYSA-N 0 0 233.271 2.056 50 0 BEAARN O=C(c1cc(F)ccc1F)N1CCSCC1 ZINC000044954951 343519564 /nfs/dbraw/zinc/51/95/64/343519564.db2.gz CAQWKVMEAONOBI-UHFFFAOYSA-N 0 0 243.278 2.154 50 0 BEAARN CC/C=C\CCn1cnc2[nH]ccc2c1=O ZINC000447312773 201714198 /nfs/dbraw/zinc/71/41/98/201714198.db2.gz OBNFYHPDZQVKGU-ARJAWSKDSA-N 0 0 217.272 2.081 50 0 BEAARN Cc1cc(Br)ccc1C(=O)N(C)C ZINC000048314071 343576799 /nfs/dbraw/zinc/57/67/99/343576799.db2.gz VGPLBVZVZCUJPW-UHFFFAOYSA-N 0 0 242.116 2.459 50 0 BEAARN CC(C)CC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000046936762 343555862 /nfs/dbraw/zinc/55/58/62/343555862.db2.gz LHNIWHAMUDYGPT-NSHDSACASA-N 0 0 225.332 2.060 50 0 BEAARN CC(C)(C)OC(=O)NC1(C(N)=S)CCCC1 ZINC000048698419 343586550 /nfs/dbraw/zinc/58/65/50/343586550.db2.gz KZCTWESWQKGOJO-UHFFFAOYSA-N 0 0 244.360 2.110 50 0 BEAARN O=C1C[C@@H](c2ccc(Br)cc2)CN1 ZINC000048981150 343591593 /nfs/dbraw/zinc/59/15/93/343591593.db2.gz JHTJSUCXKXNRAX-MRVPVSSYSA-N 0 0 240.100 2.053 50 0 BEAARN Cc1ccc(CNC(=O)C2CCCC2)cn1 ZINC000049196166 343594332 /nfs/dbraw/zinc/59/43/32/343594332.db2.gz WADJJUYQXJOKSQ-UHFFFAOYSA-N 0 0 218.300 2.196 50 0 BEAARN C[C@H]1Oc2ccc(Br)cc2C1=O ZINC000043633233 343632089 /nfs/dbraw/zinc/63/20/89/343632089.db2.gz PHMGSVNWPDXFLL-RXMQYKEDSA-N 0 0 227.057 2.413 50 0 BEAARN CCc1nc(CCNC(=O)[C@@H]2C[C@@H]2C)cs1 ZINC000083830277 343677222 /nfs/dbraw/zinc/67/72/22/343677222.db2.gz JLJMQNQZSFLJFT-WCBMZHEXSA-N 0 0 238.356 2.020 50 0 BEAARN CC[C@H](C)C(=O)O[C@@H]1CCCC[C@H]1C(=O)OC ZINC000247285770 343697311 /nfs/dbraw/zinc/69/73/11/343697311.db2.gz YVMWODHBBXEVIM-HBNTYKKESA-N 0 0 242.315 2.308 50 0 BEAARN CCc1nc(CC)n(Cc2c(C)noc2C)n1 ZINC000096448188 343739934 /nfs/dbraw/zinc/73/99/34/343739934.db2.gz DKZPHYWGGKANSE-UHFFFAOYSA-N 0 0 234.303 2.056 50 0 BEAARN Cc1ccc(NC(=O)CCn2ccnc2)cc1F ZINC000021916676 343778250 /nfs/dbraw/zinc/77/82/50/343778250.db2.gz QBLZQTJAYSGXRD-UHFFFAOYSA-N 0 0 247.273 2.359 50 0 BEAARN Cn1cncc1COc1ccc(F)cc1 ZINC000090233673 343750288 /nfs/dbraw/zinc/75/02/88/343750288.db2.gz ZHKJTKYVTSLYTR-UHFFFAOYSA-N 0 0 206.220 2.138 50 0 BEAARN CCc1nc2sccc2c(NC2(CO)CC2)n1 ZINC000096485319 343751187 /nfs/dbraw/zinc/75/11/87/343751187.db2.gz DJVUFSMMIPLWBO-UHFFFAOYSA-N 0 0 249.339 2.191 50 0 BEAARN COC(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000000519625 346963784 /nfs/dbraw/zinc/96/37/84/346963784.db2.gz QFSLYFUBWMDPPP-UHFFFAOYSA-N 0 0 248.282 2.075 50 0 biogenic BEAARN CC(=O)c1ccc(C(F)(F)F)c(N)c1 ZINC000238139824 537816357 /nfs/dbraw/zinc/81/63/57/537816357.db2.gz JBZFLBIMNDQBNX-UHFFFAOYSA-N 0 0 203.163 2.490 50 0 BEAARN Cc1cc2c(c(C)c1)C(=C(C#N)C#N)C(=O)N2 ZINC000001320705 537828066 /nfs/dbraw/zinc/82/80/66/537828066.db2.gz JPMOAOXQBYVYLI-UHFFFAOYSA-N 0 0 223.235 2.056 50 0 BEAARN C[C@@H]1C[C@H](c2ccccc2)CCN1C(N)=O ZINC000334414773 343879129 /nfs/dbraw/zinc/87/91/29/343879129.db2.gz PCNRONVSPLJWEI-ZYHUDNBSSA-N 0 0 218.300 2.333 50 0 BEAARN CC(C)CC1=NO[C@@](O)(C(F)(F)F)C1 ZINC000000547233 346998069 /nfs/dbraw/zinc/99/80/69/346998069.db2.gz DNFRNBVJXASVNP-SSDOTTSWSA-N 0 0 211.183 2.060 50 0 BEAARN CC(C)[C@H]1Cc2c(sc3ncnc(N)c23)CO1 ZINC000000554558 347005054 /nfs/dbraw/zinc/00/50/54/347005054.db2.gz RAKUADSVVIGOAT-MRVPVSSYSA-N 0 0 249.339 2.371 50 0 BEAARN COC(=O)c1cccc(Oc2ncccn2)c1 ZINC000069199113 343933786 /nfs/dbraw/zinc/93/37/86/343933786.db2.gz KVVYHHYZOKIJOO-UHFFFAOYSA-N 0 0 230.223 2.056 50 0 BEAARN CCC1(CC)NC(=O)c2ccccc2O1 ZINC000071774263 168463840 /nfs/dbraw/zinc/46/38/40/168463840.db2.gz PBFTWQNHRHZVPF-UHFFFAOYSA-N 0 0 205.257 2.325 50 0 BEAARN O=C1NC[C@H](c2cccc(Cl)c2)CO1 ZINC000220167966 344071911 /nfs/dbraw/zinc/07/19/11/344071911.db2.gz BCLUUPDWDWTMMV-QMMMGPOBSA-N 0 0 211.648 2.163 50 0 BEAARN COC(=O)[C@@H](CC(C)=O)c1c[nH]c2ccccc21 ZINC000000050872 344100127 /nfs/dbraw/zinc/10/01/27/344100127.db2.gz KNAGWGRXAMMVKN-NSHDSACASA-N 0 0 245.278 2.404 50 0 biogenic BEAARN C=CC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000585140731 344171848 /nfs/dbraw/zinc/17/18/48/344171848.db2.gz MEDREUPGOSAUEQ-HNNXBMFYSA-N 0 0 243.306 2.221 50 0 BEAARN Cc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000020094791 178638022 /nfs/dbraw/zinc/63/80/22/178638022.db2.gz HCNXJLUITGCQRS-UHFFFAOYSA-N 0 0 243.266 2.370 50 0 BEAARN Cc1ccc(CNc2ccc3nncn3n2)cc1 ZINC000020861360 178638105 /nfs/dbraw/zinc/63/81/05/178638105.db2.gz AWGGMJUPMMYPGV-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN C=CC(=O)NCc1coc2ccccc12 ZINC000585133957 344147590 /nfs/dbraw/zinc/14/75/90/344147590.db2.gz JBYOVDKCMZOCEC-UHFFFAOYSA-N 0 0 201.225 2.235 50 0 BEAARN CC(C)c1cccc(OC[C@H]2CNC(=O)C2)c1 ZINC000585137455 344149362 /nfs/dbraw/zinc/14/93/62/344149362.db2.gz ZWMACNTXRKDRRM-LLVKDONJSA-N 0 0 233.311 2.325 50 0 BEAARN CNc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000158015247 344254190 /nfs/dbraw/zinc/25/41/90/344254190.db2.gz SFUPLHWSUPSMDC-UHFFFAOYSA-N 0 0 205.236 2.362 50 0 BEAARN Fc1ccc(NCc2cn3cccnc3n2)cc1 ZINC000000079745 344243559 /nfs/dbraw/zinc/24/35/59/344243559.db2.gz HTDCHXDYDAUKRE-UHFFFAOYSA-N 0 0 242.257 2.481 50 0 BEAARN CC[C@H](C(=O)N1C[C@@H](O)C[C@H]1C)c1ccccc1 ZINC000385168418 344357056 /nfs/dbraw/zinc/35/70/56/344357056.db2.gz VFNBFPIPWRDAIK-XBFCOCLRSA-N 0 0 247.338 2.162 50 0 BEAARN CCN(CC)C(=S)S[C@H]1C[C@H](C)OC1=O ZINC000072685733 344303096 /nfs/dbraw/zinc/30/30/96/344303096.db2.gz LWYQSYPRAPNDIA-YUMQZZPRSA-N 0 0 247.385 2.050 50 0 BEAARN CCCCOP(=O)(NN)OCCCC ZINC000037627138 344405082 /nfs/dbraw/zinc/40/50/82/344405082.db2.gz IXIALITXIQDUCO-UHFFFAOYSA-N 0 0 224.241 2.191 50 0 BEAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1N ZINC000001002835 178665914 /nfs/dbraw/zinc/66/59/14/178665914.db2.gz NMHFSRKAYXYGFP-UHFFFAOYSA-N 0 0 215.300 2.439 50 0 BEAARN O=C1NC(=O)C(=Cc2ccccc2F)S1 ZINC000012341800 344500764 /nfs/dbraw/zinc/50/07/64/344500764.db2.gz HWSHSFNYTZXIGL-VMPITWQZSA-N 0 0 223.228 2.150 50 0 BEAARN CC(C)(C)C(=O)NCCc1cccs1 ZINC000043945798 344533612 /nfs/dbraw/zinc/53/36/12/344533612.db2.gz XDKUURIMTNIYTI-UHFFFAOYSA-N 0 0 211.330 2.453 50 0 BEAARN COc1cc(C)nc(NCc2ccccc2)n1 ZINC000000123011 344555955 /nfs/dbraw/zinc/55/59/55/344555955.db2.gz ICJHVXXNJRHDMW-UHFFFAOYSA-N 0 0 229.283 2.406 50 0 BEAARN CCCC(=O)Oc1ccc(C(=O)OC)cc1 ZINC000000149522 344568578 /nfs/dbraw/zinc/56/85/78/344568578.db2.gz IBQDIVVPYSCTQV-UHFFFAOYSA-N 0 0 222.240 2.179 50 0 BEAARN CCCn1c2ccccc2nc1[C@H](C)O ZINC000000238962 344655351 /nfs/dbraw/zinc/65/53/51/344655351.db2.gz BQEPXLVACKZRHK-VIFPVBQESA-N 0 0 204.273 2.500 50 0 BEAARN COc1ccc(C(=O)c2cccn2C)cc1 ZINC000000261161 344665050 /nfs/dbraw/zinc/66/50/50/344665050.db2.gz HXAHJRYQBVRSCJ-UHFFFAOYSA-N 0 0 215.252 2.265 50 0 BEAARN Cc1cc(C)n(C(=O)c2cccc(F)c2F)n1 ZINC000000267987 344670116 /nfs/dbraw/zinc/67/01/16/344670116.db2.gz NBYAQHZHXAAQDO-UHFFFAOYSA-N 0 0 236.221 2.467 50 0 BEAARN Cc1cc(C)n2c3ccccc3nc2c1C(N)=O ZINC000000273619 344673276 /nfs/dbraw/zinc/67/32/76/344673276.db2.gz MCEFIXXNAPUTOA-UHFFFAOYSA-N 0 0 239.278 2.203 50 0 BEAARN O=C(Oc1ccccn1)c1ccccc1F ZINC000000375603 344735176 /nfs/dbraw/zinc/73/51/76/344735176.db2.gz RFMWLQGMEGTNAT-UHFFFAOYSA-N 0 0 217.199 2.440 50 0 BEAARN CC(C)(C)CC(=O)Nc1ccccc1C(N)=O ZINC000000382440 344738669 /nfs/dbraw/zinc/73/86/69/344738669.db2.gz HCNSIFICESHDMO-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN O=C1CO[C@@H](c2ccccc2)[C@H]2CCCCN12 ZINC000000386908 344740860 /nfs/dbraw/zinc/74/08/60/344740860.db2.gz DOMCFYUEFOEBGH-OCCSQVGLSA-N 0 0 231.295 2.139 50 0 BEAARN Nc1cnc(-c2ccccc2)nc1Cl ZINC000000343708 344712227 /nfs/dbraw/zinc/71/22/27/344712227.db2.gz PWGFZVSPADHFPI-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN Cc1ccc(N)cc1NC(=O)c1ccncc1 ZINC000000873956 178709135 /nfs/dbraw/zinc/70/91/35/178709135.db2.gz OXDXXBXREHAVEA-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN Cc1ccc(NC(=O)c2ccccn2)nc1 ZINC000005659496 178752930 /nfs/dbraw/zinc/75/29/30/178752930.db2.gz ZGRCGVXMNAXUAJ-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1ccc(NC(=S)N(C)N)cc1Cl ZINC000013518701 178755336 /nfs/dbraw/zinc/75/53/36/178755336.db2.gz SIOYSIMZBADQND-UHFFFAOYSA-N 0 0 229.736 2.151 50 0 BEAARN CCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033584175 344859087 /nfs/dbraw/zinc/85/90/87/344859087.db2.gz PPSPYSDGPOYGED-CYBMUJFWSA-N 0 0 233.311 2.298 50 0 BEAARN Cc1cccc(NC=C2C[C@@H](C)OC2=O)n1 ZINC000135768526 344888117 /nfs/dbraw/zinc/88/81/17/344888117.db2.gz MONSXXXKUNCVOP-SBMLRHLQSA-N 0 0 218.256 2.021 50 0 BEAARN Cc1cc(C(=O)Nc2cc(C)ccc2O)on1 ZINC000006738039 178802565 /nfs/dbraw/zinc/80/25/65/178802565.db2.gz ILHDGLYFFGKJQU-UHFFFAOYSA-N 0 0 232.239 2.249 50 0 BEAARN OCc1cnnn1-c1cc(Cl)ccc1Cl ZINC000238729684 345007374 /nfs/dbraw/zinc/00/73/74/345007374.db2.gz JRJMUWXYFGCYGK-UHFFFAOYSA-N 0 0 244.081 2.066 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(F)(F)F ZINC000169414149 345016939 /nfs/dbraw/zinc/01/69/39/345016939.db2.gz GCJUZGHULRVKGS-RITPCOANSA-N 0 0 225.210 2.462 50 0 BEAARN COC(=O)c1ccnc(C(F)(F)F)c1F ZINC000238410959 345042618 /nfs/dbraw/zinc/04/26/18/345042618.db2.gz OHDCGRVVFKANGM-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN Cc1ccc(S(=O)(=O)NCC(C)C)cc1C ZINC000007375510 178824809 /nfs/dbraw/zinc/82/48/09/178824809.db2.gz CJLJQGHMUMHFLX-UHFFFAOYSA-N 0 0 241.356 2.238 50 0 BEAARN CC(C)c1ccc(Nc2cnnc(=O)[nH]2)cc1 ZINC000011991498 345103516 /nfs/dbraw/zinc/10/35/16/345103516.db2.gz GWVVXCBTLFQQAU-UHFFFAOYSA-N 0 0 230.271 2.032 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000252099015 345311806 /nfs/dbraw/zinc/31/18/06/345311806.db2.gz IDLXROVVBKEMEG-USWWRNFRSA-N 0 0 231.295 2.282 50 0 BEAARN C[C@@H]1CN([C@H]2C[C@@H](C)OC2=O)[C@H]1c1ccccc1 ZINC000252517957 345533500 /nfs/dbraw/zinc/53/35/00/345533500.db2.gz VZPKTQTXIBKXIT-MHDGFBEUSA-N 0 0 245.322 2.383 50 0 BEAARN Cc1cc(C)n(CC(=O)Nc2ccc(C)cc2)n1 ZINC000000411807 345571461 /nfs/dbraw/zinc/57/14/61/345571461.db2.gz VFTASNNRFPYDCQ-UHFFFAOYSA-N 0 0 243.310 2.447 50 0 BEAARN CCc1nc(C)cc(N[C@@H](CO)C(C)(C)C)n1 ZINC000253415495 345648208 /nfs/dbraw/zinc/64/82/08/345648208.db2.gz KQKBSPHTUCVXFI-JTQLQIEISA-N 0 0 237.347 2.166 50 0 BEAARN Fc1ccccc1C1=NNC(=NC2CC2)SC1 ZINC000006859479 349937156 /nfs/dbraw/zinc/93/71/56/349937156.db2.gz OQLYFHMMZBFPPH-UHFFFAOYSA-N 0 0 249.314 2.385 50 0 BEAARN C[C@@H](NC(=O)c1c[nH]c2ncccc12)C1CC1 ZINC000095954610 345686790 /nfs/dbraw/zinc/68/67/90/345686790.db2.gz MGIHORUGUMSTKA-MRVPVSSYSA-N 0 0 229.283 2.091 50 0 BEAARN O=C([O-])CC[NH+]1CCC(c2ccsc2)CC1 ZINC000149363602 345715810 /nfs/dbraw/zinc/71/58/10/345715810.db2.gz JFCUDHCPWPJLMV-UHFFFAOYSA-N 0 0 239.340 2.402 50 0 BEAARN O=c1cc(O)c(-c2ccccc2)c(Cl)[nH]1 ZINC000015923765 345812693 /nfs/dbraw/zinc/81/26/93/345812693.db2.gz PFWBRJPOTPBWJC-UHFFFAOYSA-N 0 0 221.643 2.401 50 0 BEAARN O=C1C[C@H](c2ccccc2)N=C2SCCN21 ZINC000033884722 345786205 /nfs/dbraw/zinc/78/62/05/345786205.db2.gz UXZDBCUMONUNIE-SNVBAGLBSA-N 0 0 232.308 2.063 50 0 BEAARN Cc1ccc([C@H]2CC(=O)NC(=O)S2)cc1 ZINC000000209174 178917733 /nfs/dbraw/zinc/91/77/33/178917733.db2.gz CBXOBBLEEDIVHQ-SECBINFHSA-N 0 0 221.281 2.409 50 0 BEAARN C[C@@H](CNc1ncccn1)Oc1ccc(F)cc1 ZINC000078474192 345876348 /nfs/dbraw/zinc/87/63/48/345876348.db2.gz QXLXKOMSBGDYIV-JTQLQIEISA-N 0 0 247.273 2.495 50 0 BEAARN C[C@H](Nc1ncccc1F)c1cnn(C)c1 ZINC000084487645 345923854 /nfs/dbraw/zinc/92/38/54/345923854.db2.gz ZIEWUFFAXUCSDT-QMMMGPOBSA-N 0 0 220.251 2.127 50 0 BEAARN C/C=C(\C)C(=O)Nc1ccc(O)cc1F ZINC000186285214 345964315 /nfs/dbraw/zinc/96/43/15/345964315.db2.gz CDZNRQXWAUTLEH-XVNBXDOJSA-N 0 0 209.220 2.436 50 0 BEAARN C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)C ZINC000685939482 537928214 /nfs/dbraw/zinc/92/82/14/537928214.db2.gz PDPKVLUVLMHLGQ-MXWKQRLJSA-N 0 0 213.321 2.058 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1cccs1 ZINC000190705047 345981894 /nfs/dbraw/zinc/98/18/94/345981894.db2.gz UENVUSVYJCWKOT-MRVPVSSYSA-N 0 0 214.286 2.330 50 0 BEAARN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1OCC[C@H]1C ZINC000685939729 537929459 /nfs/dbraw/zinc/92/94/59/537929459.db2.gz NURBPORBKLKRHB-WRWGMCAJSA-N 0 0 225.332 2.201 50 0 BEAARN Cc1ccc([S@](=O)Cc2ccccn2)nc1 ZINC000191184546 345991474 /nfs/dbraw/zinc/99/14/74/345991474.db2.gz LGPFGTHRVRFHEM-MRXNPFEDSA-N 0 0 232.308 2.093 50 0 BEAARN CC(=O)Nc1ccc(Cn2ccnc2C)cc1 ZINC000076637812 537935330 /nfs/dbraw/zinc/93/53/30/537935330.db2.gz ZLZXIJWHTVKWNT-UHFFFAOYSA-N 0 0 229.283 2.198 50 0 BEAARN C(CSC[C@H]1CCCO1)O[C@H]1CCCCO1 ZINC000193446233 346166098 /nfs/dbraw/zinc/16/60/98/346166098.db2.gz USOWFRVLATZSBK-NEPJUHHUSA-N 0 0 246.372 2.442 50 0 BEAARN O=C1Cc2ccccc2C(=O)N1Cc1ccco1 ZINC000003187782 537955202 /nfs/dbraw/zinc/95/52/02/537955202.db2.gz JFBBNSSGSSOLRG-UHFFFAOYSA-N 0 0 241.246 2.005 50 0 BEAARN COC(=O)c1cccnc1NCc1ccccc1 ZINC000034252802 346235918 /nfs/dbraw/zinc/23/59/18/346235918.db2.gz STKKLYQFDLIXRG-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN Cc1cccc(C(=O)N2CCC[C@H](C)C2)n1 ZINC000032909065 179008777 /nfs/dbraw/zinc/00/87/77/179008777.db2.gz QFJCMLRCBLNXQE-JTQLQIEISA-N 0 0 218.300 2.262 50 0 BEAARN CCc1nccc(-c2sc(N)nc2C)n1 ZINC000095629749 346251902 /nfs/dbraw/zinc/25/19/02/346251902.db2.gz PGRZUFSNYTZWHD-UHFFFAOYSA-N 0 0 220.301 2.053 50 0 BEAARN C/N=C1\S/C(=C\c2cccs2)C(=O)N1C ZINC000005455862 346265138 /nfs/dbraw/zinc/26/51/38/346265138.db2.gz ZJCMYIVCUCKUKX-CAVDHDHCSA-N 0 0 238.337 2.280 50 0 BEAARN C/N=C1\S/C(=C\c2ccccc2)C(=O)N1C ZINC000005455846 346265439 /nfs/dbraw/zinc/26/54/39/346265439.db2.gz SVCFGDCMKBXLES-OCACNAFOSA-N 0 0 232.308 2.219 50 0 BEAARN Cc1cccc(C(=O)OCc2cncn2C)c1F ZINC000097015297 179025675 /nfs/dbraw/zinc/02/56/75/179025675.db2.gz UQIVPJWSOOLZPA-UHFFFAOYSA-N 0 0 248.257 2.225 50 0 BEAARN Cc1cccc(C(=O)NO[C@H]2CCCCO2)c1C ZINC000058330422 179019559 /nfs/dbraw/zinc/01/95/59/179019559.db2.gz QUXOXYVOHYRZLD-ZDUSSCGKSA-N 0 0 249.310 2.491 50 0 BEAARN O=C(NC(=S)NC1CCCC1)c1ccccc1 ZINC000000472703 346278140 /nfs/dbraw/zinc/27/81/40/346278140.db2.gz QPZKGWSZMLKRFT-UHFFFAOYSA-N 0 0 248.351 2.234 50 0 BEAARN O=C1N=NC=C1NNc1ccc(Cl)cc1 ZINC000005626243 346285890 /nfs/dbraw/zinc/28/58/90/346285890.db2.gz CJEVEVPJVPNWIV-UHFFFAOYSA-N 0 0 222.635 2.090 50 0 BEAARN CCCCS[C@@H]1C[C@@H](C)NC(=S)N1 ZINC000002588195 346280401 /nfs/dbraw/zinc/28/04/01/346280401.db2.gz BLQUFVLATCMVGG-HTQZYQBOSA-N 0 0 218.391 2.102 50 0 BEAARN Cc1ccc(Nc2nc(C)cc(=O)[nH]2)c(C)c1 ZINC000005625952 346286336 /nfs/dbraw/zinc/28/63/36/346286336.db2.gz YZUBZLUIMSKWIS-UHFFFAOYSA-N 0 0 229.283 2.439 50 0 BEAARN FC(F)C1=NCCNC(c2ccccc2)=C1 ZINC000005647013 346295101 /nfs/dbraw/zinc/29/51/01/346295101.db2.gz IOCSJKATNXQCHJ-UHFFFAOYSA-N 0 0 222.238 2.228 50 0 BEAARN Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000003748082 179035095 /nfs/dbraw/zinc/03/50/95/179035095.db2.gz VOCFXYDRCRGQNS-ZDUSSCGKSA-N 0 0 233.311 2.352 50 0 BEAARN CCCc1cc(=O)[nH]c(Nc2ccccc2O)n1 ZINC000005625405 346287198 /nfs/dbraw/zinc/28/71/98/346287198.db2.gz HHBWTOYJZAJNEY-UHFFFAOYSA-N 0 0 245.282 2.172 50 0 BEAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCO1 ZINC000000804565 179042787 /nfs/dbraw/zinc/04/27/87/179042787.db2.gz VEXODVAYMNODGK-LLVKDONJSA-N 0 0 219.284 2.421 50 0 BEAARN Cc1cccc(C)c1NC1=NC(=O)CS1 ZINC000012409033 179043161 /nfs/dbraw/zinc/04/31/61/179043161.db2.gz FBQWEQNQNVYRKS-UHFFFAOYSA-N 0 0 220.297 2.345 50 0 BEAARN Cc1cccc(C2(C(=O)Nc3cn[nH]c3)CC2)c1 ZINC000071822692 179051187 /nfs/dbraw/zinc/05/11/87/179051187.db2.gz PZPQBXFLGVWPME-UHFFFAOYSA-N 0 0 241.294 2.388 50 0 BEAARN CC(C)(C)NC(=S)NC(=O)c1ccccc1 ZINC000000491527 346417567 /nfs/dbraw/zinc/41/75/67/346417567.db2.gz IAHAXKLLYOLNNP-UHFFFAOYSA-N 0 0 236.340 2.089 50 0 BEAARN CC(F)(F)c1ncncc1Br ZINC000221284234 346444882 /nfs/dbraw/zinc/44/48/82/346444882.db2.gz BYUVEUJVMDDHHT-UHFFFAOYSA-N 0 0 223.020 2.351 50 0 BEAARN Cc1cccc(CNC(=O)[C@H]2C[C@H]2C)c1 ZINC000032760756 179088711 /nfs/dbraw/zinc/08/87/11/179088711.db2.gz JXKCBEJQWITBPW-PWSUYJOCSA-N 0 0 203.285 2.267 50 0 BEAARN Cc1nnsc1C(=O)N(C)c1cccc(C)c1 ZINC000000385552 179115533 /nfs/dbraw/zinc/11/55/33/179115533.db2.gz QYIJJWWBQSGELB-UHFFFAOYSA-N 0 0 247.323 2.432 50 0 BEAARN Cc1cccc(N(C)CC2CCOCC2)n1 ZINC000158312353 179116915 /nfs/dbraw/zinc/11/69/15/179116915.db2.gz DFSMRGMVIJJAER-UHFFFAOYSA-N 0 0 220.316 2.253 50 0 BEAARN Cc1cccc(N(C)Cc2cc[nH]n2)c1 ZINC000097139277 179117652 /nfs/dbraw/zinc/11/76/52/179117652.db2.gz MLLHEISLJGUUJR-UHFFFAOYSA-N 0 0 201.273 2.355 50 0 BEAARN O=S1(=O)Cc2cccc3cccc(c32)C1 ZINC000003847927 346582120 /nfs/dbraw/zinc/58/21/20/346582120.db2.gz GRCAQMPUBVXMFJ-UHFFFAOYSA-N 0 0 218.277 2.268 50 0 BEAARN CCCC(=O)Nc1cc(N)ccc1OC ZINC000008703546 168562293 /nfs/dbraw/zinc/56/22/93/168562293.db2.gz KRHILNALWGGEKV-UHFFFAOYSA-N 0 0 208.261 2.016 50 0 BEAARN Cc1cccc(NC(=O)CC(F)(F)F)n1 ZINC000082268649 179125996 /nfs/dbraw/zinc/12/59/96/179125996.db2.gz AELOFWGYMPNTMA-UHFFFAOYSA-N 0 0 218.178 2.281 50 0 BEAARN CCCC[C@H](CC)C(=O)N1CCOCC1 ZINC000005022088 346609606 /nfs/dbraw/zinc/60/96/06/346609606.db2.gz WJNJRMDHLZDCJH-NSHDSACASA-N 0 0 213.321 2.062 50 0 BEAARN CCCNC(=S)Nc1ccc2nccnc2c1 ZINC000005051636 346609609 /nfs/dbraw/zinc/60/96/09/346609609.db2.gz BUHQZVRLDYZVGO-UHFFFAOYSA-N 0 0 246.339 2.326 50 0 BEAARN Cc1cc(/C=C/C(=O)NC(C)C)oc1C ZINC000005680917 346626699 /nfs/dbraw/zinc/62/66/99/346626699.db2.gz PVNKANQISIFKJG-AATRIKPKSA-N 0 0 207.273 2.434 50 0 BEAARN Cc1cccc(NC(=O)N2CCN(C)CC2)c1C ZINC000006725476 179132148 /nfs/dbraw/zinc/13/21/48/179132148.db2.gz PFRBMDNDPAPTPU-UHFFFAOYSA-N 0 0 247.342 2.083 50 0 BEAARN Cc1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 ZINC000024014585 179132177 /nfs/dbraw/zinc/13/21/77/179132177.db2.gz MPYHNMVMBBWECH-NSHDSACASA-N 0 0 234.299 2.248 50 0 BEAARN Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000005755561 179140630 /nfs/dbraw/zinc/14/06/30/179140630.db2.gz MGUKYJNVUXCTSZ-LLVKDONJSA-N 0 0 205.257 2.113 50 0 BEAARN Cc1cccc(NC(=O)c2ccc(=O)[nH]c2)c1C ZINC000007610046 179142363 /nfs/dbraw/zinc/14/23/63/179142363.db2.gz OTZUKPMKHJWGMN-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 BEAARN Cc1cccc(NCC(=O)N2CCCCC2)c1 ZINC000057218602 179143329 /nfs/dbraw/zinc/14/33/29/179143329.db2.gz AOPSDXDQRHULBO-UHFFFAOYSA-N 0 0 232.327 2.419 50 0 BEAARN CONC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000167094732 346698444 /nfs/dbraw/zinc/69/84/44/346698444.db2.gz FSXVHLJWNXINFT-ZJUUUORDSA-N 0 0 238.287 2.324 50 0 BEAARN Cc1cccc(N[C@H]2CCCCNC2=O)c1 ZINC000012545012 179157970 /nfs/dbraw/zinc/15/79/70/179157970.db2.gz JZDLOKZYOJBZKE-LBPRGKRZSA-N 0 0 218.300 2.076 50 0 BEAARN Cc1cccc(OCCn2ccnc2)c1 ZINC000000433229 179169468 /nfs/dbraw/zinc/16/94/68/179169468.db2.gz XOANZLYVPWNICU-UHFFFAOYSA-N 0 0 202.257 2.271 50 0 BEAARN Cc1cccc(OC(=O)c2cnn(C)c2)c1F ZINC000096500282 179161971 /nfs/dbraw/zinc/16/19/71/179161971.db2.gz QPTLKSNGJCMPQW-UHFFFAOYSA-N 0 0 234.230 2.087 50 0 BEAARN Cc1cc(NC(=O)COc2cccc(C)c2)n[nH]1 ZINC000047555491 179163654 /nfs/dbraw/zinc/16/36/54/179163654.db2.gz OLBFNOFJWNPFJK-UHFFFAOYSA-N 0 0 245.282 2.044 50 0 BEAARN CC(=O)OCCn1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C ZINC000000488658 346805850 /nfs/dbraw/zinc/80/58/50/346805850.db2.gz MIXVHAAVIXCSIZ-ZWNOBZJWSA-N 0 0 248.326 2.050 50 0 biogenic BEAARN Cc1cccc(Nc2cc(C)nc3ncnn32)c1 ZINC000017888783 179159088 /nfs/dbraw/zinc/15/90/88/179159088.db2.gz AFXOHYVPQNSFJE-UHFFFAOYSA-N 0 0 239.282 2.485 50 0 BEAARN Cc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)[O-])c1C ZINC000261567822 179182578 /nfs/dbraw/zinc/18/25/78/179182578.db2.gz FEIAWAAKHWUUPE-GHMZBOCLSA-N 0 0 221.300 2.427 50 0 BEAARN Cc1cc(C)cc(NC(=O)Cn2ccnc2)c1 ZINC000010809286 347204098 /nfs/dbraw/zinc/20/40/98/347204098.db2.gz UEZYMJVIRYHNLL-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN Cc1cccc([C@@H]2CCCN2S(C)(=O)=O)c1 ZINC000035476425 179189565 /nfs/dbraw/zinc/18/95/65/179189565.db2.gz MSPUTABRSHFLEZ-LBPRGKRZSA-N 0 0 239.340 2.092 50 0 BEAARN Cc1cccc2c1nc(-c1ccccn1)[nH]c2=O ZINC000065607246 179207992 /nfs/dbraw/zinc/20/79/92/179207992.db2.gz ODJCMWBYVNVTOA-UHFFFAOYSA-N 0 0 237.262 2.294 50 0 BEAARN Fc1cnc(Cl)nc1OCC1CC1 ZINC000085754715 347318362 /nfs/dbraw/zinc/31/83/62/347318362.db2.gz YDGIDYCIDSNWFN-UHFFFAOYSA-N 0 0 202.616 2.058 50 0 BEAARN Cc1cccc2nc(C(F)(F)F)cc(=O)n12 ZINC000003133808 179230504 /nfs/dbraw/zinc/23/05/04/179230504.db2.gz SDSJEPDKNIUJMT-UHFFFAOYSA-N 0 0 228.173 2.022 50 0 BEAARN COC(=O)C1=C(N)C[C@@H](c2ccccc2)S1 ZINC000020421453 347447261 /nfs/dbraw/zinc/44/72/61/347447261.db2.gz JIQGBXZBRBSLDX-JTQLQIEISA-N 0 0 235.308 2.208 50 0 BEAARN CCS(=O)(=O)N[C@@H](C)c1ccccc1Cl ZINC000048903094 347447546 /nfs/dbraw/zinc/44/75/46/347447546.db2.gz BYEIPNBBXXIZCB-QMMMGPOBSA-N 0 0 247.747 2.340 50 0 BEAARN Cc1ccccc1-n1cnc(Cl)c1CO ZINC000069949549 179242470 /nfs/dbraw/zinc/24/24/70/179242470.db2.gz FDOQTHLRLDZDIB-UHFFFAOYSA-N 0 0 222.675 2.326 50 0 BEAARN Cc1ccccc1-n1nnnc1SC(C)C ZINC000003292351 179243500 /nfs/dbraw/zinc/24/35/00/179243500.db2.gz ZZZIYVVQLLIVKQ-UHFFFAOYSA-N 0 0 234.328 2.471 50 0 BEAARN Cc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000010543057 179245880 /nfs/dbraw/zinc/24/58/80/179245880.db2.gz MGQBKQAMLIAAJN-ZIAGYGMSSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1ccccc1C(=O)N(C)Cc1cnn(C)c1 ZINC000040488639 179246140 /nfs/dbraw/zinc/24/61/40/179246140.db2.gz WGDZDAXJHQCJGL-UHFFFAOYSA-N 0 0 243.310 2.001 50 0 BEAARN Cc1ccc(NC(=O)Cn2cccn2)cc1Cl ZINC000013012058 347472821 /nfs/dbraw/zinc/47/28/21/347472821.db2.gz SAOJNESUJSOAHZ-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN Cc1ccccc1C(=O)NCc1cccnc1 ZINC000000320970 179250641 /nfs/dbraw/zinc/25/06/41/179250641.db2.gz HSKDKUIDMQZOLL-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1ccccc1C(=O)N[C@H](C)c1cnn(C)c1 ZINC000028574063 179252873 /nfs/dbraw/zinc/25/28/73/179252873.db2.gz HTJVLTMAKDBXCL-LLVKDONJSA-N 0 0 243.310 2.220 50 0 BEAARN Cc1ccccc1CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000006700213 179258505 /nfs/dbraw/zinc/25/85/05/179258505.db2.gz MRZXFNQCLKKOQN-GXTWGEPZSA-N 0 0 247.338 2.221 50 0 BEAARN Cc1nnc([C@@H](C)NCc2ccc(F)c(C)c2)[nH]1 ZINC000392477975 347572898 /nfs/dbraw/zinc/57/28/98/347572898.db2.gz XJJFMNDWMNUSRZ-SECBINFHSA-N 0 0 248.305 2.411 50 0 BEAARN Cc1ccccc1CCNC(=O)C(C)C ZINC000044867975 179263039 /nfs/dbraw/zinc/26/30/39/179263039.db2.gz DZYZLVBOHPHEGM-UHFFFAOYSA-N 0 0 205.301 2.310 50 0 BEAARN Cc1ccccc1CCNC(=S)NC1CC1 ZINC000007390011 179264903 /nfs/dbraw/zinc/26/49/03/179264903.db2.gz WAIMXMDEJOQOHM-UHFFFAOYSA-N 0 0 234.368 2.164 50 0 BEAARN Cc1ccccc1C1CC(=O)CC(=O)C1 ZINC000100014321 179256629 /nfs/dbraw/zinc/25/66/29/179256629.db2.gz HUPGWYIWIQPTIS-UHFFFAOYSA-N 0 0 202.253 2.401 50 0 BEAARN COCCN(C(=O)CC1CC1)[C@@H]1CC[C@@H](C)C1 ZINC000195580185 347642375 /nfs/dbraw/zinc/64/23/75/347642375.db2.gz GFCAHIYJZZLGMT-DGCLKSJQSA-N 0 0 239.359 2.450 50 0 BEAARN Cc1nccc(N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000195571344 347647769 /nfs/dbraw/zinc/64/77/69/347647769.db2.gz OYONPRZLJFRHHT-GFCCVEGCSA-N 0 0 243.314 2.240 50 0 BEAARN Cc1ccccc1CNC(=O)c1ccncc1 ZINC000018106602 179281124 /nfs/dbraw/zinc/28/11/24/179281124.db2.gz SEBZBTVLULMNHS-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN CCC1(CNc2cccc(C(N)=O)n2)CCC1 ZINC000534577681 323153797 /nfs/dbraw/zinc/15/37/97/323153797.db2.gz FVFDJHXJOLMTJU-UHFFFAOYSA-N 0 0 233.315 2.173 50 0 BEAARN Cc1ccccc1CSc1nc[nH]n1 ZINC000007603763 179287582 /nfs/dbraw/zinc/28/75/82/179287582.db2.gz RBFAIZSKUBCSSO-UHFFFAOYSA-N 0 0 205.286 2.405 50 0 BEAARN Cc1ccccc1N1C(=O)c2cccnc2C1=O ZINC000000070150 179296071 /nfs/dbraw/zinc/29/60/71/179296071.db2.gz VOHPEZSWMDBMAU-UHFFFAOYSA-N 0 0 238.246 2.191 50 0 BEAARN Cc1ccccc1OC/C=C/CN1CCOCC1 ZINC000016622076 179310078 /nfs/dbraw/zinc/31/00/78/179310078.db2.gz DZKNKJZYAKOOMP-SNAWJCMRSA-N 0 0 247.338 2.262 50 0 BEAARN Cc1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000020482273 179313307 /nfs/dbraw/zinc/31/33/07/179313307.db2.gz XAVGZQGCRSGITP-SNVBAGLBSA-N 0 0 219.284 2.041 50 0 BEAARN Cc1ccccc1OCc1nn2cnnc2s1 ZINC000004487488 179312815 /nfs/dbraw/zinc/31/28/15/179312815.db2.gz FMKVHNYZONXAGX-UHFFFAOYSA-N 0 0 246.295 2.073 50 0 BEAARN Cc1ccccc1[C@@H](C(=O)NC1CCC1)N(C)C ZINC000095375356 179316247 /nfs/dbraw/zinc/31/62/47/179316247.db2.gz CBCLTCVHRXJYBV-AWEZNQCLSA-N 0 0 246.354 2.266 50 0 BEAARN Cc1ccccc1[C@@H](C)NC(=O)c1cnccn1 ZINC000017963493 179319134 /nfs/dbraw/zinc/31/91/34/179319134.db2.gz DBJKTIJXTOSJDU-LLVKDONJSA-N 0 0 241.294 2.276 50 0 BEAARN Cc1ccccc1[C@@]1(O)CCN(CC(F)F)C1 ZINC000067774183 179332677 /nfs/dbraw/zinc/33/26/77/179332677.db2.gz FTQCPVSVYBKHJB-CYBMUJFWSA-N 0 0 241.281 2.153 50 0 BEAARN Cc1cccn(CCOc2ccccc2)c1=O ZINC000069741070 179352306 /nfs/dbraw/zinc/35/23/06/179352306.db2.gz QSSYJBRRAFYVQV-UHFFFAOYSA-N 0 0 229.279 2.236 50 0 BEAARN Cc1cccn2c(CNc3ncccn3)cnc12 ZINC000187916782 179354501 /nfs/dbraw/zinc/35/45/01/179354501.db2.gz WZHKJEVHYFIFQI-UHFFFAOYSA-N 0 0 239.282 2.045 50 0 BEAARN CC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000037211174 187392616 /nfs/dbraw/zinc/39/26/16/187392616.db2.gz UBIJEFBFEPJHEZ-UHFFFAOYSA-N 0 0 236.290 2.249 50 0 BEAARN Cc1ccn(C(=O)c2ccccc2C)n1 ZINC000000504475 179399152 /nfs/dbraw/zinc/39/91/52/179399152.db2.gz OCRROYMSJFVJNZ-UHFFFAOYSA-N 0 0 200.241 2.188 50 0 BEAARN CC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000070262480 323183680 /nfs/dbraw/zinc/18/36/80/323183680.db2.gz OTOBEDSXYBTKEZ-UHFFFAOYSA-N 0 0 202.213 2.300 50 0 BEAARN Cc1ccsc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012408847 179536135 /nfs/dbraw/zinc/53/61/35/179536135.db2.gz VXXYJKCFIMSTAN-AOOOYVTPSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1cnc(C(=O)Nc2ccc(Cl)cn2)cn1 ZINC000026087384 179578130 /nfs/dbraw/zinc/57/81/30/179578130.db2.gz NQVNQGOOXHDXMJ-UHFFFAOYSA-N 0 0 248.673 2.086 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]1(C)CC(C)C ZINC000669383576 538010088 /nfs/dbraw/zinc/01/00/88/538010088.db2.gz JNWNBFIQCBSBMB-WDEREUQCSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1cnc(NC(=O)c2ccncc2)s1 ZINC000001054296 179630368 /nfs/dbraw/zinc/63/03/68/179630368.db2.gz XQJPDOGUWRFCHN-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@H](F)C1 ZINC000038539977 348705829 /nfs/dbraw/zinc/70/58/29/348705829.db2.gz UAPGAPVMGAQEAQ-MRVPVSSYSA-N 0 0 203.257 2.355 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@]12CCCC[C@H]2C ZINC000669384395 538015758 /nfs/dbraw/zinc/01/57/58/538015758.db2.gz VINDUOANHPCCLB-JLLWLGSASA-N 0 0 212.289 2.287 50 0 BEAARN CC1(C)C[C@H]1C(=O)NCc1ccccc1 ZINC000000046015 187407160 /nfs/dbraw/zinc/40/71/60/187407160.db2.gz ITZAERWYGNBLCF-NSHDSACASA-N 0 0 203.285 2.349 50 0 BEAARN CC(=O)SCCCCSC(C)=O ZINC000001682825 187409535 /nfs/dbraw/zinc/40/95/35/187409535.db2.gz MEQLOUCDKZRWAO-UHFFFAOYSA-N 0 0 206.332 2.326 50 0 BEAARN CCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000010925031 187414583 /nfs/dbraw/zinc/41/45/83/187414583.db2.gz HILWPCJWHANMQY-UHFFFAOYSA-N 0 0 232.283 2.384 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)NC1CCCCC1 ZINC000012980986 187415185 /nfs/dbraw/zinc/41/51/85/187415185.db2.gz OZHRXMBBPWPEOS-UHFFFAOYSA-N 0 0 235.331 2.099 50 0 BEAARN CCCc1cc(C(=O)N2CCC(C)CC2)no1 ZINC000013363767 187415546 /nfs/dbraw/zinc/41/55/46/187415546.db2.gz JKINPGKFVKXAQD-UHFFFAOYSA-N 0 0 236.315 2.499 50 0 BEAARN CC(=O)NCCOc1cc(C)ccc1Cl ZINC000040545116 187428473 /nfs/dbraw/zinc/42/84/73/187428473.db2.gz YQRUCYKZXIZHTR-UHFFFAOYSA-N 0 0 227.691 2.163 50 0 BEAARN Cc1csc(CNC(=O)c2cc[nH]c2C)n1 ZINC000267322212 179775118 /nfs/dbraw/zinc/77/51/18/179775118.db2.gz DCCZCTGFQDDCOS-UHFFFAOYSA-N 0 0 235.312 2.018 50 0 BEAARN Cc1csc(CNC(=O)[C@H]2CC=CCC2)n1 ZINC000021482099 179775804 /nfs/dbraw/zinc/77/58/04/179775804.db2.gz MIKOKYALHHAZAI-JTQLQIEISA-N 0 0 236.340 2.424 50 0 BEAARN C=CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004948663 190974212 /nfs/dbraw/zinc/97/42/12/190974212.db2.gz PBTMWGMSOKDCRP-UHFFFAOYSA-N 0 0 205.301 2.257 50 0 BEAARN Cc1nc(-c2cc(C(C)C)oc2C)n(CCO)n1 ZINC000096161046 179862131 /nfs/dbraw/zinc/86/21/31/179862131.db2.gz CIKHRCWFUYODOR-UHFFFAOYSA-N 0 0 249.314 2.271 50 0 BEAARN O=C(OCc1ccccc1)N1CCCC[C@H]1O ZINC000039187248 349284592 /nfs/dbraw/zinc/28/45/92/349284592.db2.gz DJHBQZYPXJJJMZ-GFCCVEGCSA-N 0 0 235.283 2.128 50 0 BEAARN CC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000030687037 190983213 /nfs/dbraw/zinc/98/32/13/190983213.db2.gz NFJFNOCDIONDSY-UHFFFAOYSA-N 0 0 241.294 2.199 50 0 BEAARN CC(C)Cc1nc(C(=O)NC2CC2)cs1 ZINC000049519057 187434944 /nfs/dbraw/zinc/43/49/44/187434944.db2.gz PWUSZUMGGXLSJQ-UHFFFAOYSA-N 0 0 224.329 2.234 50 0 BEAARN Cn1c2ccccc2n2nc(-c3ccco3)nc12 ZINC000002488664 350019100 /nfs/dbraw/zinc/01/91/00/350019100.db2.gz CXSXSLBIDVWLLA-UHFFFAOYSA-N 0 0 238.250 2.481 50 0 BEAARN O[C@@H]1CCC23C=CCC2(CC=C3)CC[C@H]1O ZINC000043198697 323236728 /nfs/dbraw/zinc/23/67/28/323236728.db2.gz UVKDTDKUCFDDHB-IWMBGFJWSA-N 0 0 220.312 2.175 50 0 BEAARN Cc1nc(SC(F)(F)F)nc(C)c1O ZINC000040217207 180029812 /nfs/dbraw/zinc/02/98/12/180029812.db2.gz FHMJFSIPPGWASD-UHFFFAOYSA-N 0 0 224.207 2.411 50 0 BEAARN CSc1nnc(-c2ccoc2C)n1C ZINC000007236622 350085295 /nfs/dbraw/zinc/08/52/95/350085295.db2.gz CODKDDGJJYFKDU-UHFFFAOYSA-N 0 0 209.274 2.105 50 0 BEAARN Cc1csc2nc(C)nc(N3CCCO3)c12 ZINC000097096854 180002390 /nfs/dbraw/zinc/00/23/90/180002390.db2.gz SOFWLRAYKWYUET-UHFFFAOYSA-N 0 0 235.312 2.450 50 0 BEAARN Cc1nc(NC(=O)[C@@H]2C[C@H]2C)sc1C ZINC000013021332 180011529 /nfs/dbraw/zinc/01/15/29/180011529.db2.gz FIRYCVGSZAANRZ-SVGQVSJJSA-N 0 0 210.302 2.354 50 0 BEAARN Cc1cc(F)ncc1I ZINC000055161701 187437590 /nfs/dbraw/zinc/43/75/90/187437590.db2.gz KGSVFCIENPUKHY-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 BEAARN Cn1nc2c(c1NC(=O)c1ccco1)CSC2 ZINC000604419661 350127649 /nfs/dbraw/zinc/12/76/49/350127649.db2.gz QFMJRSFSRONART-UHFFFAOYSA-N 0 0 249.295 2.012 50 0 BEAARN O=C(CCCCCn1cccc1)Nc1ncc[nH]1 ZINC000604418560 350127670 /nfs/dbraw/zinc/12/76/70/350127670.db2.gz TYBBNCWQKJXVCG-UHFFFAOYSA-N 0 0 246.314 2.410 50 0 BEAARN CCOC(=O)c1ccnc(C(F)(F)F)c1F ZINC000309168992 350114861 /nfs/dbraw/zinc/11/48/61/350114861.db2.gz KJTRFDNCGFQIBL-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN Cc1nc([C@@H](N)c2ccc(Cl)cc2)no1 ZINC000036762211 180039293 /nfs/dbraw/zinc/03/92/93/180039293.db2.gz ZSAXBGLRHFBPER-VIFPVBQESA-N 0 0 223.663 2.080 50 0 BEAARN Cc1nc2c(cccc2C(=O)N2CCCC2)o1 ZINC000279969984 180062362 /nfs/dbraw/zinc/06/23/62/180062362.db2.gz NEPVZSAZFRCYFG-UHFFFAOYSA-N 0 0 230.267 2.372 50 0 BEAARN Cc1nc2cc(F)c(F)cc2n1CC(N)=O ZINC000334683923 180079846 /nfs/dbraw/zinc/07/98/46/180079846.db2.gz FVMZHDZYXRWRCX-UHFFFAOYSA-N 0 0 225.198 2.158 50 0 BEAARN Cc1nc2c(c(NCc3cccnc3)n1)CCC2 ZINC000065288116 180070937 /nfs/dbraw/zinc/07/09/37/180070937.db2.gz GLTGTTLESLQKSY-UHFFFAOYSA-N 0 0 240.310 2.281 50 0 BEAARN Cc1[nH]c2nc(-c3ccccc3)nn2c(=O)c1C ZINC000101518952 180114045 /nfs/dbraw/zinc/11/40/45/180114045.db2.gz YUZQTPDRECSZBX-UHFFFAOYSA-N 0 0 240.266 2.114 50 0 BEAARN Cc1ncc(CN(C)[C@@H](C)c2cccnc2)n1C ZINC000216225320 180140223 /nfs/dbraw/zinc/14/02/23/180140223.db2.gz MWVYMXOHGILMPO-NSHDSACASA-N 0 0 244.342 2.317 50 0 BEAARN Cc1ncc(CN(C)[C@H](C)c2cccnc2)n1C ZINC000216225367 180140233 /nfs/dbraw/zinc/14/02/33/180140233.db2.gz MWVYMXOHGILMPO-LLVKDONJSA-N 0 0 244.342 2.317 50 0 BEAARN CC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000064329633 187440467 /nfs/dbraw/zinc/44/04/67/187440467.db2.gz BEQZUKJRWYYYFV-UHFFFAOYSA-N 0 0 217.228 2.003 50 0 BEAARN Cc1ncc(-c2nc(C3CC3)no2)s1 ZINC000078774182 180121716 /nfs/dbraw/zinc/12/17/16/180121716.db2.gz XCPIKBWSRXMNIM-UHFFFAOYSA-N 0 0 207.258 2.379 50 0 BEAARN COCc1ccc(Br)c(N)c1 ZINC000098180734 191061506 /nfs/dbraw/zinc/06/15/06/191061506.db2.gz SHDLYDHKNSHNII-UHFFFAOYSA-N 0 0 216.078 2.178 50 0 BEAARN CC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000041172460 191064601 /nfs/dbraw/zinc/06/46/01/191064601.db2.gz BAOUZUHTPNNJFB-GFCCVEGCSA-N 0 0 239.702 2.260 50 0 BEAARN Cc1ncc2c(c1O)CO[C@H](C(C)C)OC2 ZINC000000088430 180177594 /nfs/dbraw/zinc/17/75/94/180177594.db2.gz JTDBGJWBSDBUQB-GFCCVEGCSA-N 0 0 223.272 2.125 50 0 BEAARN Cc1ncc2c(c1C(N)=S)[C@H](C)CCC2 ZINC000072447011 180178011 /nfs/dbraw/zinc/17/80/11/180178011.db2.gz KOJGFWFVINEQKK-SSDOTTSWSA-N 0 0 220.341 2.464 50 0 BEAARN Cc1nccc(CN2CCC[C@](C)(F)C2)n1 ZINC000335354224 180184180 /nfs/dbraw/zinc/18/41/80/180184180.db2.gz FLHCHGULOVRTBY-LBPRGKRZSA-N 0 0 223.295 2.109 50 0 BEAARN Cc1nccn1CC(=O)c1ccccc1F ZINC000037340592 180232198 /nfs/dbraw/zinc/23/21/98/180232198.db2.gz UYBWSPVLCMFPIF-UHFFFAOYSA-N 0 0 218.231 2.214 50 0 BEAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC000034275366 350262214 /nfs/dbraw/zinc/26/22/14/350262214.db2.gz KLRYBAAAYDFIEQ-BDAKNGLRSA-N 0 0 245.319 2.099 50 0 BEAARN CC(C)CS(=O)(=O)c1ccc(F)cc1 ZINC000034265331 350264340 /nfs/dbraw/zinc/26/43/40/350264340.db2.gz RXMGYDJIKHTLHU-UHFFFAOYSA-N 0 0 216.277 2.255 50 0 BEAARN CCCCC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000012545901 168625718 /nfs/dbraw/zinc/62/57/18/168625718.db2.gz WFQHSKCKCAIPAS-UHFFFAOYSA-N 0 0 244.298 2.396 50 0 BEAARN Cc1nccn1C[C@@H]1CCCN1c1ccccn1 ZINC000225598566 180266205 /nfs/dbraw/zinc/26/62/05/180266205.db2.gz UAYQKUUKJIVJQE-ZDUSSCGKSA-N 0 0 242.326 2.256 50 0 BEAARN CC(C)(C)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000076022338 362952765 /nfs/dbraw/zinc/95/27/65/362952765.db2.gz ZZVMUOBSQJRUNO-GHMZBOCLSA-N 0 0 207.317 2.457 50 0 BEAARN O[C@H]1CCCC[C@@H]1n1cc(Cl)cn1 ZINC000038053934 350301115 /nfs/dbraw/zinc/30/11/15/350301115.db2.gz HUSKQOMRXWIBPN-IUCAKERBSA-N 0 0 200.669 2.013 50 0 BEAARN Cc1ncnc(N(C)CC[C@@H]2CCCCO2)c1C ZINC000091595757 180291705 /nfs/dbraw/zinc/29/17/05/180291705.db2.gz XOJWDNFSQDFGFQ-ZDUSSCGKSA-N 0 0 249.358 2.489 50 0 BEAARN Cc1ncsc1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000136832319 180315084 /nfs/dbraw/zinc/31/50/84/180315084.db2.gz GGMHEAGKULWFBM-GHMZBOCLSA-N 0 0 240.372 2.044 50 0 BEAARN Cc1ncsc1-c1nc([C@H]2CCCO2)no1 ZINC000225598678 180302094 /nfs/dbraw/zinc/30/20/94/180302094.db2.gz MIQFTNHYMRIYHA-SSDOTTSWSA-N 0 0 237.284 2.353 50 0 BEAARN Cc1ccc(CCC(=O)NC(C)C)cc1 ZINC000040476632 350368438 /nfs/dbraw/zinc/36/84/38/350368438.db2.gz FPDYKZGJPSUGRR-UHFFFAOYSA-N 0 0 205.301 2.452 50 0 BEAARN Cc1ncsc1C(=O)NCCC(C)C ZINC000040529107 180303610 /nfs/dbraw/zinc/30/36/10/180303610.db2.gz LHGPQNLQLJEIOW-UHFFFAOYSA-N 0 0 212.318 2.227 50 0 BEAARN O=Cc1cnn(-c2c(F)c(F)cc(F)c2F)c1 ZINC000040449010 350364272 /nfs/dbraw/zinc/36/42/72/350364272.db2.gz LIXAUSFQHGJDJP-UHFFFAOYSA-N 0 0 244.147 2.241 50 0 BEAARN COC(=O)c1ccc(Oc2cccnc2)c(N)c1 ZINC000040449044 350365026 /nfs/dbraw/zinc/36/50/26/350365026.db2.gz QBLMEVYGRSPPMP-UHFFFAOYSA-N 0 0 244.250 2.243 50 0 BEAARN Cc1ncsc1C(=O)N[C@H](C)c1ccccn1 ZINC000040529653 180307436 /nfs/dbraw/zinc/30/74/36/180307436.db2.gz KSYKYNNJQMEOSC-MRVPVSSYSA-N 0 0 247.323 2.338 50 0 BEAARN Cc1ncsc1C(=O)OCCc1cccnc1 ZINC000078948211 180307563 /nfs/dbraw/zinc/30/75/63/180307563.db2.gz GRJFAFYKOWWOMB-UHFFFAOYSA-N 0 0 248.307 2.246 50 0 BEAARN CO[C@H](C)N1CC[C@@H](Cc2ccccc2)C1=O ZINC000601013365 350329827 /nfs/dbraw/zinc/32/98/27/350329827.db2.gz AZMYJICYHZKRTC-YPMHNXCESA-N 0 0 233.311 2.070 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2cnsn2)cc1 ZINC000040555106 350375775 /nfs/dbraw/zinc/37/57/75/350375775.db2.gz BNOJEKHCFBBEOC-UHFFFAOYSA-N 0 0 247.323 2.119 50 0 BEAARN CCCCC(=O)Nc1ccc(OC)nc1 ZINC000012522902 168627869 /nfs/dbraw/zinc/62/78/69/168627869.db2.gz KJNJGSAPQXIDOG-UHFFFAOYSA-N 0 0 208.261 2.219 50 0 BEAARN CCN(CC)C(=O)c1c(C)nc2ccccn21 ZINC000001403478 350393861 /nfs/dbraw/zinc/39/38/61/350393861.db2.gz CIRAXTUXGVCESC-UHFFFAOYSA-N 0 0 231.299 2.125 50 0 BEAARN CC(=O)N1CCC(c2nc(C)c(C)s2)CC1 ZINC000040623704 187446612 /nfs/dbraw/zinc/44/66/12/187446612.db2.gz PAJKLXHTJMGLEH-UHFFFAOYSA-N 0 0 238.356 2.486 50 0 BEAARN O=C(CCc1ccco1)N1CCCCC1 ZINC000032819987 350431973 /nfs/dbraw/zinc/43/19/73/350431973.db2.gz TZUNPEYJILVWFS-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN Cc1nn(C)c(Oc2ccc(F)cc2)c1C=O ZINC000020445397 180361647 /nfs/dbraw/zinc/36/16/47/180361647.db2.gz KKXIIZLODOTOGZ-UHFFFAOYSA-N 0 0 234.230 2.472 50 0 BEAARN Cc1nn(C)c2ncc(Br)cc12 ZINC000019513220 180363172 /nfs/dbraw/zinc/36/31/72/180363172.db2.gz RUOIWGDTWAGEOP-UHFFFAOYSA-N 0 0 226.077 2.039 50 0 BEAARN Cc1nn(C)c2ncc(NCC3CC3)cc12 ZINC000037084857 180365216 /nfs/dbraw/zinc/36/52/16/180365216.db2.gz PKMKOIHZZIFDMQ-UHFFFAOYSA-N 0 0 216.288 2.099 50 0 BEAARN CCCCO[C@@H](O)C(Cl)(Cl)Cl ZINC000034154408 350463831 /nfs/dbraw/zinc/46/38/31/350463831.db2.gz XBGOHDBCXGXPBA-RXMQYKEDSA-N 0 0 221.511 2.492 50 0 BEAARN Cc1nn(C)cc1CN(C)C(=O)CC(C)(C)C ZINC000012064978 180372282 /nfs/dbraw/zinc/37/22/82/180372282.db2.gz OUQPXTNGCDXXPO-UHFFFAOYSA-N 0 0 237.347 2.123 50 0 BEAARN Fc1ccc(NCc2cc[nH]n2)cc1F ZINC000020350782 350482127 /nfs/dbraw/zinc/48/21/27/350482127.db2.gz DYFHXTAWYHLDKQ-UHFFFAOYSA-N 0 0 209.199 2.300 50 0 BEAARN Cc1nn2c(nnc2-c2ccccc2)s1 ZINC000008040526 180393328 /nfs/dbraw/zinc/39/33/28/180393328.db2.gz YZMQXQLOTHZPNG-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1nnc(C(Cl)(Cl)Cl)o1 ZINC000068589905 180399415 /nfs/dbraw/zinc/39/94/15/180399415.db2.gz DOQORJAFSVBZPF-UHFFFAOYSA-N 0 0 201.440 2.205 50 0 BEAARN Cc1nnc(CN(C)c2ccccc2F)o1 ZINC000263994070 180403284 /nfs/dbraw/zinc/40/32/84/180403284.db2.gz DTWSSJNPYZPLHP-UHFFFAOYSA-N 0 0 221.235 2.154 50 0 BEAARN Cc1nnc(CN(C)Cc2ccccc2F)o1 ZINC000058016116 180403991 /nfs/dbraw/zinc/40/39/91/180403991.db2.gz UBWWTXKUZLFPCN-UHFFFAOYSA-N 0 0 235.262 2.149 50 0 BEAARN Cc1cc2ncn(-c3ncccn3)c2cc1C ZINC000008051971 538095518 /nfs/dbraw/zinc/09/55/18/538095518.db2.gz VQUSGPGVSMAQAL-UHFFFAOYSA-N 0 0 224.267 2.432 50 0 BEAARN CCCCCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000016400551 168636444 /nfs/dbraw/zinc/63/64/44/168636444.db2.gz BKADZQMMFGCDLU-PHIMTYICSA-N 0 0 213.321 2.203 50 0 BEAARN COc1cc(C=O)c(OC)c2c1CCCC2 ZINC000037627807 350588536 /nfs/dbraw/zinc/58/85/36/350588536.db2.gz REFMYLDWAFTVEH-UHFFFAOYSA-N 0 0 220.268 2.395 50 0 BEAARN Cc1nnc(NC(=O)C[C@@H]2C=CCC2)s1 ZINC000014633465 180429608 /nfs/dbraw/zinc/42/96/08/180429608.db2.gz BJTQSFUABGKDBB-MRVPVSSYSA-N 0 0 223.301 2.141 50 0 BEAARN COc1ncc(C(F)(F)F)cc1C(C)=O ZINC000091692962 187455300 /nfs/dbraw/zinc/45/53/00/187455300.db2.gz LHFULBDACFZZOW-UHFFFAOYSA-N 0 0 219.162 2.312 50 0 BEAARN Cc1nnc(NC(=O)c2cc(Cl)c[nH]2)s1 ZINC000023625893 180431707 /nfs/dbraw/zinc/43/17/07/180431707.db2.gz VZOZEZMVLVVYAF-UHFFFAOYSA-N 0 0 242.691 2.080 50 0 BEAARN CCCn1ccnc1CNc1cc(CC)ncn1 ZINC000095356438 350657990 /nfs/dbraw/zinc/65/79/90/350657990.db2.gz OVJLOAIGZYKNAQ-UHFFFAOYSA-N 0 0 245.330 2.258 50 0 BEAARN CC(=O)Nc1cc(C)c(C)cc1NC(C)=O ZINC000000391001 191117261 /nfs/dbraw/zinc/11/72/61/191117261.db2.gz VMOQGOAWGLCADB-UHFFFAOYSA-N 0 0 220.272 2.220 50 0 BEAARN O=c1[nH]c2ccccc2nc1/C=C\c1cccnc1 ZINC000012421359 350669596 /nfs/dbraw/zinc/66/95/96/350669596.db2.gz WOYMZRWUKAMJMT-FPLPWBNLSA-N 0 0 249.273 2.489 50 0 BEAARN CCN(Cc1cccs1)C(=O)c1ccnnc1 ZINC000089969344 362977714 /nfs/dbraw/zinc/97/77/14/362977714.db2.gz AREWPVIJTRJWKO-UHFFFAOYSA-N 0 0 247.323 2.200 50 0 BEAARN CC(=O)NCCSc1ccc(C)cc1 ZINC000004599353 191119396 /nfs/dbraw/zinc/11/93/96/191119396.db2.gz HUHSAWZSLPGRJG-UHFFFAOYSA-N 0 0 209.314 2.223 50 0 BEAARN Cc1noc(NCc2ccc(F)cc2C)n1 ZINC000097045277 180494604 /nfs/dbraw/zinc/49/46/04/180494604.db2.gz RKZIWENCUCRLOV-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN C=Cc1ccc(NC(C)=O)cc1NC(C)=O ZINC000000242528 187471275 /nfs/dbraw/zinc/47/12/75/187471275.db2.gz GXQVSUPPWVZUQM-UHFFFAOYSA-N 0 0 218.256 2.246 50 0 BEAARN O=Cc1ccc(N2CCC(Cl)=N2)cc1 ZINC000001001030 350975707 /nfs/dbraw/zinc/97/57/07/350975707.db2.gz UFVWBEMZYWDEND-UHFFFAOYSA-N 0 0 208.648 2.262 50 0 BEAARN Cc1cc(C(=O)NCc2cccnc2)cs1 ZINC000001055699 350991948 /nfs/dbraw/zinc/99/19/48/350991948.db2.gz RRBHBNAULPSGEE-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN CCCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000001052280 350996549 /nfs/dbraw/zinc/99/65/49/350996549.db2.gz ZNGXKGQSVNTAOI-UHFFFAOYSA-N 0 0 233.311 2.112 50 0 BEAARN Cc1occc(=O)c1OC(=O)c1ccccc1F ZINC000001098173 351012376 /nfs/dbraw/zinc/01/23/76/351012376.db2.gz JAKOBEXKEFQSDA-UHFFFAOYSA-N 0 0 248.209 2.307 50 0 BEAARN CCc1nnc(CN2CCCC[C@@H]2C)o1 ZINC000054115089 351155516 /nfs/dbraw/zinc/15/55/16/351155516.db2.gz WEQKNQGCYRLQKR-VIFPVBQESA-N 0 0 209.293 2.006 50 0 BEAARN CC(N)=C1C(=O)C(=O)N(C)[C@H]1c1ccccc1 ZINC000006024801 351381873 /nfs/dbraw/zinc/38/18/73/351381873.db2.gz LVAOPHKPJUBHPA-NSHDSACASA-N 0 0 230.267 2.051 50 0 BEAARN C[C@H](O)c1cn(-c2cc(F)ccc2Cl)nn1 ZINC000231835067 351398917 /nfs/dbraw/zinc/39/89/17/351398917.db2.gz UKKJSYDJLJGETF-LURJTMIESA-N 0 0 241.653 2.113 50 0 BEAARN Clc1cnc(NCc2ccco2)nc1 ZINC000093536262 180598254 /nfs/dbraw/zinc/59/82/54/180598254.db2.gz LDTKWQDVIXEXNI-UHFFFAOYSA-N 0 0 209.636 2.335 50 0 BEAARN CCN1C(=O)/C(=C/c2ccccc2)N(C)C1=S ZINC000000474804 363053726 /nfs/dbraw/zinc/05/37/26/363053726.db2.gz XHGMOQYTSIWVJY-LUAWRHEFSA-N 0 0 246.335 2.106 50 0 BEAARN Clc1ncnc2c3cccnc3oc21 ZINC000043828383 180603362 /nfs/dbraw/zinc/60/33/62/180603362.db2.gz UFTANKSBYMFUPC-UHFFFAOYSA-N 0 0 205.604 2.424 50 0 BEAARN Cn1c2ccccc2c2c1[C@@H](NC=O)CCC2 ZINC000000448174 180626315 /nfs/dbraw/zinc/62/63/15/180626315.db2.gz YZJRBYKXZCWPCU-LBPRGKRZSA-N 0 0 228.295 2.302 50 0 BEAARN CCN(CC1CCC1)c1cc(C)nc2ncnn21 ZINC000225462688 169813607 /nfs/dbraw/zinc/81/36/07/169813607.db2.gz PJDNHADVMATUMJ-UHFFFAOYSA-N 0 0 245.330 2.059 50 0 BEAARN Cn1cc(C(=O)c2ccccc2)cc1C=O ZINC000000166258 180635645 /nfs/dbraw/zinc/63/56/45/180635645.db2.gz WDCINSJQPIINCX-UHFFFAOYSA-N 0 0 213.236 2.069 50 0 BEAARN CC(=O)Nc1c(F)cccc1NC1CC1 ZINC000095405674 191141112 /nfs/dbraw/zinc/14/11/12/191141112.db2.gz OHMHOLGFIFFCKX-UHFFFAOYSA-N 0 0 208.236 2.358 50 0 BEAARN CC(=O)CCC(=O)OCc1ccccc1 ZINC000001688162 187538113 /nfs/dbraw/zinc/53/81/13/187538113.db2.gz KWQUVANYFZOCEA-UHFFFAOYSA-N 0 0 206.241 2.099 50 0 BEAARN COc1ccc(-c2cc(C)n[nH]c2=O)cc1F ZINC000426641595 191144257 /nfs/dbraw/zinc/14/42/57/191144257.db2.gz VISYHYRHBVTTLZ-UHFFFAOYSA-N 0 0 234.230 2.305 50 0 BEAARN Cc1cccc(-c2noc(C(=O)NC(C)C)n2)c1 ZINC000006746092 363098703 /nfs/dbraw/zinc/09/87/03/363098703.db2.gz GLOGAHZOACAFGM-UHFFFAOYSA-N 0 0 245.282 2.183 50 0 BEAARN COc1cc(CNC(=O)[C@H]2CC=CCC2)ccn1 ZINC000012536779 351994599 /nfs/dbraw/zinc/99/45/99/351994599.db2.gz RGNFUUOJHUQMTJ-LBPRGKRZSA-N 0 0 246.310 2.063 50 0 BEAARN Cc1nc2c(c(-c3ccncc3F)n1)CCC2 ZINC000426651997 191144805 /nfs/dbraw/zinc/14/48/05/191144805.db2.gz NEUXFMACFBRKGP-UHFFFAOYSA-N 0 0 229.258 2.475 50 0 BEAARN CCOc1ccc(NC(=O)C2CC2)cc1 ZINC000002905796 363147540 /nfs/dbraw/zinc/14/75/40/363147540.db2.gz WLOZJLVNRCSGBK-UHFFFAOYSA-N 0 0 205.257 2.434 50 0 BEAARN CC(C)CNC(=O)CN1c2ccccc2C[C@H]1C ZINC000007587782 363154890 /nfs/dbraw/zinc/15/48/90/363154890.db2.gz FWMIGLHZWPEGOB-GFCCVEGCSA-N 0 0 246.354 2.210 50 0 BEAARN O=C(CNc1ccc(Cl)cc1F)NC1CC1 ZINC000012582850 352321483 /nfs/dbraw/zinc/32/14/83/352321483.db2.gz ZBMZRBPXLMBUHZ-UHFFFAOYSA-N 0 0 242.681 2.170 50 0 BEAARN Cc1n[nH]cc1-c1nn2c(nnc2C(C)C)s1 ZINC000044900709 352488482 /nfs/dbraw/zinc/48/84/82/352488482.db2.gz LFJAZONCAXHNMY-UHFFFAOYSA-N 0 0 248.315 2.008 50 0 BEAARN COCc1nc2cc(NC(=O)C3CC3)ccc2[nH]1 ZINC000044917808 352496870 /nfs/dbraw/zinc/49/68/70/352496870.db2.gz UHGREUFQFULZMY-UHFFFAOYSA-N 0 0 245.282 2.058 50 0 BEAARN CC(=O)Nc1ccccc1NC(=O)C(C)C ZINC000000458487 187755736 /nfs/dbraw/zinc/75/57/36/187755736.db2.gz BRSDDUWIKSKROL-UHFFFAOYSA-N 0 0 220.272 2.240 50 0 BEAARN Cc1ccc(/C=C\C(=O)NC[C@@H]2CCCO2)cc1 ZINC000006797759 187758661 /nfs/dbraw/zinc/75/86/61/187758661.db2.gz YFJUGZZDVDZNTD-CKXPSTMWSA-N 0 0 245.322 2.303 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N1CCC[C@@H](C)C1 ZINC000042377262 187775800 /nfs/dbraw/zinc/77/58/00/187775800.db2.gz HXAONISEVMJLBU-VXGBXAGGSA-N 0 0 227.348 2.306 50 0 BEAARN Cn1cnc2cc(Br)ccc21 ZINC000016677926 180776620 /nfs/dbraw/zinc/77/66/20/180776620.db2.gz KMJMDIYGNFGEEO-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN C/C(=C\C(=O)Nc1cccc(CO)c1)C1CC1 ZINC000222025363 187831715 /nfs/dbraw/zinc/83/17/15/187831715.db2.gz KWBWFYILXKILPQ-JXMROGBWSA-N 0 0 231.295 2.474 50 0 BEAARN Cc1cc(F)cc(Br)c1CO ZINC000098213431 187839462 /nfs/dbraw/zinc/83/94/62/187839462.db2.gz KDIIPCUCWNTXMT-UHFFFAOYSA-N 0 0 219.053 2.389 50 0 BEAARN O=C([O-])[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019787909 352826049 /nfs/dbraw/zinc/82/60/49/352826049.db2.gz VUZHYEGXXWFWFT-AWEZNQCLSA-N 0 0 247.338 2.416 50 0 BEAARN Cn1[nH]c(C2CC2)c2nc(-c3ccco3)nc1-2 ZINC000019148982 180803959 /nfs/dbraw/zinc/80/39/59/180803959.db2.gz DLUXVGRDCPECKQ-UHFFFAOYSA-N 0 0 228.255 2.434 50 0 BEAARN CCCCCC[C@H](CC)C(=O)NC(N)=O ZINC000033648934 168679533 /nfs/dbraw/zinc/67/95/33/168679533.db2.gz VPGXYEFAHZVFMC-VIFPVBQESA-N 0 0 214.309 2.178 50 0 BEAARN CN(C)c1ccccc1NC(=O)C1CCOCC1 ZINC000031918420 352975566 /nfs/dbraw/zinc/97/55/66/352975566.db2.gz XSRNDRPVZKQMCL-UHFFFAOYSA-N 0 0 248.326 2.118 50 0 BEAARN Cn1nccc1C(=O)NCCC1=CCCCC1 ZINC000006729565 180831049 /nfs/dbraw/zinc/83/10/49/180831049.db2.gz NZDZUOOMDCHSGD-UHFFFAOYSA-N 0 0 233.315 2.040 50 0 BEAARN Cc1cc(-n2cnnn2)ccc1C(C)C ZINC000004105168 353112245 /nfs/dbraw/zinc/11/22/45/353112245.db2.gz YVCOYQKNYQSLND-UHFFFAOYSA-N 0 0 202.261 2.094 50 0 BEAARN Cn1ncnc1CN1CCC=Cc2ccccc21 ZINC000191294979 180854847 /nfs/dbraw/zinc/85/48/47/180854847.db2.gz XNYNUBWKMDGGDV-UHFFFAOYSA-N 0 0 240.310 2.239 50 0 BEAARN CC(=O)NCCOc1cc(C)c(Cl)c(C)c1 ZINC000243087412 538108874 /nfs/dbraw/zinc/10/88/74/538108874.db2.gz IUHRJHVWBPWDGF-UHFFFAOYSA-N 0 0 241.718 2.472 50 0 BEAARN CC(=O)N[C@H](C)Cc1c[nH]c2ccccc12 ZINC000000287730 188096918 /nfs/dbraw/zinc/09/69/18/188096918.db2.gz CIJOGCKBIRFFKN-SECBINFHSA-N 0 0 216.284 2.235 50 0 biogenic BEAARN CC(=O)CCc1c(C)c2ccccc2[nH]c1=O ZINC000016676244 188098074 /nfs/dbraw/zinc/09/80/74/188098074.db2.gz GTMZKESNFYTSOW-UHFFFAOYSA-N 0 0 229.279 2.358 50 0 biogenic BEAARN CC(=O)c1cnc2cc(C3CC3)nn2c1C ZINC000000095988 188098566 /nfs/dbraw/zinc/09/85/66/188098566.db2.gz GIGLAZDYILQAPY-UHFFFAOYSA-N 0 0 215.256 2.118 50 0 BEAARN Cc1cc(I)ccc1N ZINC000000080446 188098798 /nfs/dbraw/zinc/09/87/98/188098798.db2.gz BGKLFAQCHHCZRZ-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN Cc1cc(C)c(C)c([S@@](=O)CCO)c1C ZINC000079112090 538109712 /nfs/dbraw/zinc/10/97/12/538109712.db2.gz RLAKJNSGADUADV-OAHLLOKOSA-N 0 0 226.341 2.020 50 0 BEAARN COc1ccc(Nc2ncnc3nc[nH]c32)cc1 ZINC000000032156 188099046 /nfs/dbraw/zinc/09/90/46/188099046.db2.gz URMMHFZNJDOMHC-UHFFFAOYSA-N 0 0 241.254 2.105 50 0 BEAARN Cc1cccc(C(=O)[C@@H](O)c2cccc(C)n2)n1 ZINC000000393974 188099307 /nfs/dbraw/zinc/09/93/07/188099307.db2.gz IDUIGZZRUKXMOQ-ZDUSSCGKSA-N 0 0 242.278 2.010 50 0 BEAARN CCc1ccc(OCc2nnc(N)s2)cc1 ZINC000000322767 188099319 /nfs/dbraw/zinc/09/93/19/188099319.db2.gz NVXXRNFNGWRRSN-UHFFFAOYSA-N 0 0 235.312 2.262 50 0 BEAARN CC1(C)C[C@](C)(O)[P@](=O)(c2ccccc2)O1 ZINC000000231778 188099555 /nfs/dbraw/zinc/09/95/55/188099555.db2.gz IVLUAGYBDRGAPC-WBMJQRKESA-N 0 0 240.239 2.497 50 0 BEAARN C[C@H](NC(=O)C1CC1)c1nc2ccccc2[nH]1 ZINC000000552015 188100008 /nfs/dbraw/zinc/10/00/08/188100008.db2.gz BNYUDMQYRNZQDS-QMMMGPOBSA-N 0 0 229.283 2.150 50 0 BEAARN O=C(Nc1nc(=S)ss1)C1CC1 ZINC000003104319 188100603 /nfs/dbraw/zinc/10/06/03/188100603.db2.gz NSXWOQJAJDBHEZ-UHFFFAOYSA-N 0 0 218.328 2.283 50 0 BEAARN C/C=C/C=C/C(=O)NCc1ccc(OC)cc1 ZINC000006433581 188103158 /nfs/dbraw/zinc/10/31/58/188103158.db2.gz ZWEMYOSDLZPSLK-VNKDHWASSA-N 0 0 231.295 2.444 50 0 BEAARN Cn1ncc(Cl)c1C(=O)NCc1ccccc1 ZINC000006726374 188103181 /nfs/dbraw/zinc/10/31/81/188103181.db2.gz HJOAHLPLXRPQIP-UHFFFAOYSA-N 0 0 249.701 2.004 50 0 BEAARN Brc1nnc(-c2cccnc2)s1 ZINC000011920570 188105015 /nfs/dbraw/zinc/10/50/15/188105015.db2.gz LEJKMPAVMFZPNR-UHFFFAOYSA-N 0 0 242.101 2.363 50 0 BEAARN Cc1cc(N)n(Cc2cccc(Cl)c2)n1 ZINC000012394788 188105235 /nfs/dbraw/zinc/10/52/35/188105235.db2.gz MHEPRRNMEIJDFT-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN Cn1ccnc1C(=O)c1cccc(Cl)c1 ZINC000011691807 188105346 /nfs/dbraw/zinc/10/53/46/188105346.db2.gz ZWNWXGPKERPVDA-UHFFFAOYSA-N 0 0 220.659 2.305 50 0 BEAARN CNC(=O)c1ccccc1NC(=O)C1CCCC1 ZINC000019208098 188107340 /nfs/dbraw/zinc/10/73/40/188107340.db2.gz QINCZKYGEZTISG-UHFFFAOYSA-N 0 0 246.310 2.175 50 0 BEAARN Cc1cccc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000018098068 188107348 /nfs/dbraw/zinc/10/73/48/188107348.db2.gz YOTYSDYGIPMBEM-BETUJISGSA-N 0 0 247.338 2.173 50 0 BEAARN CC(C)(C)ON1C(=O)c2ccccc2C1=O ZINC000020467999 188108737 /nfs/dbraw/zinc/10/87/37/188108737.db2.gz GSTJSQNQTLDHSU-UHFFFAOYSA-N 0 0 219.240 2.013 50 0 BEAARN CC(C)=CC(=O)NCc1ccc2c(c1)OCCO2 ZINC000023711803 188109147 /nfs/dbraw/zinc/10/91/47/188109147.db2.gz CSCXYOMMYQBHMC-UHFFFAOYSA-N 0 0 247.294 2.040 50 0 BEAARN CC(C)=CC(=O)Nc1nc2ccccc2[nH]1 ZINC000022832964 188109427 /nfs/dbraw/zinc/10/94/27/188109427.db2.gz FALIPSFFWSTHRE-UHFFFAOYSA-N 0 0 215.256 2.468 50 0 BEAARN CNc1ncc(I)cc1C ZINC000029786629 188110052 /nfs/dbraw/zinc/11/00/52/188110052.db2.gz ZHUKYUJCPFBDHP-UHFFFAOYSA-N 0 0 248.067 2.036 50 0 BEAARN CCCc1cc(C(=O)N2CCC(C)CC2)[nH]n1 ZINC000029575180 188110430 /nfs/dbraw/zinc/11/04/30/188110430.db2.gz ICEDOLOKLRTVGY-UHFFFAOYSA-N 0 0 235.331 2.234 50 0 BEAARN Cn1c(Br)nc2c1ccnc2Cl ZINC000034002747 188111176 /nfs/dbraw/zinc/11/11/76/188111176.db2.gz RDJPHGBKTFBGOC-UHFFFAOYSA-N 0 0 246.495 2.384 50 0 BEAARN Cc1ccc(SCC(=O)Nc2cn[nH]c2)cc1 ZINC000035237382 188111333 /nfs/dbraw/zinc/11/13/33/188111333.db2.gz NVCOGGXBFYOBFV-UHFFFAOYSA-N 0 0 247.323 2.449 50 0 BEAARN CC(C)C[C@@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000036756109 188112177 /nfs/dbraw/zinc/11/21/77/188112177.db2.gz ROCPVNHQMQTUSD-NSHDSACASA-N 0 0 238.331 2.286 50 0 BEAARN Cn1nnnc1S[C@H]1CCCc2ccccc21 ZINC000040114177 180876673 /nfs/dbraw/zinc/87/66/73/180876673.db2.gz RKTLIHCAMPGNCJ-NSHDSACASA-N 0 0 246.339 2.380 50 0 BEAARN CC(C)n1cc(Br)ccc1=O ZINC000038537029 188116673 /nfs/dbraw/zinc/11/66/73/188116673.db2.gz ULPBSLPRYWCIDD-UHFFFAOYSA-N 0 0 216.078 2.192 50 0 BEAARN Fc1cccc(N2CCCSCC2)n1 ZINC000042445172 188119183 /nfs/dbraw/zinc/11/91/83/188119183.db2.gz TUTAEVVBNYPNPH-UHFFFAOYSA-N 0 0 212.293 2.164 50 0 BEAARN Cc1ccccc1CN(C)CC(=O)N1CCCC1 ZINC000042977530 188121845 /nfs/dbraw/zinc/12/18/45/188121845.db2.gz ZKPSSJUOXMBLNJ-UHFFFAOYSA-N 0 0 246.354 2.049 50 0 BEAARN CC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000082735665 188122133 /nfs/dbraw/zinc/12/21/33/188122133.db2.gz DNXJCZRHMKTOLA-UHFFFAOYSA-N 0 0 215.256 2.046 50 0 BEAARN CC(C)Cn1cc(NC(=O)N2CCCC2)cn1 ZINC000089856716 188144778 /nfs/dbraw/zinc/14/47/78/188144778.db2.gz PGFKXBRNUCYZBE-UHFFFAOYSA-N 0 0 236.319 2.167 50 0 BEAARN CC(=O)Oc1ccc2ccc(O)cc2c1 ZINC000095218185 188145249 /nfs/dbraw/zinc/14/52/49/188145249.db2.gz OPAWKBQBXLRPLC-UHFFFAOYSA-N 0 0 202.209 2.471 50 0 BEAARN Cc1cc(Cl)ccc1NCc1cnnn1C ZINC000095447437 188145410 /nfs/dbraw/zinc/14/54/10/188145410.db2.gz LCKGNYLXVSZFGB-UHFFFAOYSA-N 0 0 236.706 2.389 50 0 BEAARN O=C1CCOc2cccc(Br)c21 ZINC000049588569 363208104 /nfs/dbraw/zinc/20/81/04/363208104.db2.gz ZZWQBLPTSSWLPE-UHFFFAOYSA-N 0 0 227.057 2.414 50 0 BEAARN FC(F)(F)COc1ccc(Cl)nn1 ZINC000001075706 180885825 /nfs/dbraw/zinc/88/58/25/180885825.db2.gz RGHZOVDMIHOECD-UHFFFAOYSA-N 0 0 212.558 2.071 50 0 BEAARN Cc1cccc(C)c1NC(=O)C(=O)c1ccc[nH]1 ZINC000065083580 188129522 /nfs/dbraw/zinc/12/95/22/188129522.db2.gz VCJZGPVFPAWWEL-UHFFFAOYSA-N 0 0 242.278 2.453 50 0 BEAARN C/C=C/C=C/C(=O)N(CCOC)Cc1ccco1 ZINC000069463074 188130413 /nfs/dbraw/zinc/13/04/13/188130413.db2.gz WXUUSQCFAGDNKA-SALQQRKASA-N 0 0 249.310 2.387 50 0 BEAARN COc1ccc(OCc2ccon2)cc1 ZINC000076421763 188134746 /nfs/dbraw/zinc/13/47/46/188134746.db2.gz ZAEHIXSZXQAARH-UHFFFAOYSA-N 0 0 205.213 2.262 50 0 BEAARN Cc1cc(Br)c2c[nH]nc2n1 ZINC000082372928 188138399 /nfs/dbraw/zinc/13/83/99/188138399.db2.gz IHPLRMNZEAPFQB-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000085474973 188143004 /nfs/dbraw/zinc/14/30/04/188143004.db2.gz GHITWFDHFOLATC-SECBINFHSA-N 0 0 237.303 2.482 50 0 BEAARN C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)[O-])C1 ZINC000237574106 188154316 /nfs/dbraw/zinc/15/43/16/188154316.db2.gz HFCYYZNEMJZRDH-JOYOIKCWSA-N 0 0 237.274 2.293 50 0 BEAARN C[NH+](C)CCOC(=O)Nc1ccc(Cl)cc1 ZINC000000395319 188158682 /nfs/dbraw/zinc/15/86/82/188158682.db2.gz CYUUBMXAQCPXOG-UHFFFAOYSA-N 0 0 242.706 2.450 50 0 BEAARN CC1(C)COC2(COC2)N1Cc1ccccc1 ZINC000169804260 188161286 /nfs/dbraw/zinc/16/12/86/188161286.db2.gz HCYPQRPLTSYAJA-UHFFFAOYSA-N 0 0 233.311 2.024 50 0 BEAARN Cc1cccc(OCc2ccccn2)n1 ZINC000170596989 188161486 /nfs/dbraw/zinc/16/14/86/188161486.db2.gz XSTNDTMNFOUBNI-UHFFFAOYSA-N 0 0 200.241 2.364 50 0 BEAARN FC(F)(F)c1cncc(Br)n1 ZINC000072193266 180897582 /nfs/dbraw/zinc/89/75/82/180897582.db2.gz HUCJZLJSTLNVJK-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN FC(F)(F)c1nccc(Br)n1 ZINC000066351584 180898328 /nfs/dbraw/zinc/89/83/28/180898328.db2.gz RHJLTOVSJKKHLY-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN FC(F)(F)c1nc[nH]c1C(F)(F)F ZINC000013283503 180898619 /nfs/dbraw/zinc/89/86/19/180898619.db2.gz OTWRLZYPCYXBFT-UHFFFAOYSA-N 0 0 204.073 2.447 50 0 BEAARN C1CC1c1noc(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000098019115 188148639 /nfs/dbraw/zinc/14/86/39/188148639.db2.gz QXNIGHYTTLBUKF-AOOOYVTPSA-N 0 0 219.288 2.183 50 0 BEAARN Cc1cc(O)ccc1NC(=O)Nc1cnn(C)c1 ZINC000097104716 188149017 /nfs/dbraw/zinc/14/90/17/188149017.db2.gz UWYRFBQMIDBDPZ-UHFFFAOYSA-N 0 0 246.270 2.078 50 0 BEAARN CCOC(=O)/C=C/c1ccc(F)c(O)c1 ZINC000261494528 188193184 /nfs/dbraw/zinc/19/31/84/188193184.db2.gz ZTHCPSUVARTQFJ-GQCTYLIASA-N 0 0 210.204 2.108 50 0 BEAARN CC(C)(F)c1nc(-c2ccc(=O)[nH]c2)no1 ZINC000277950315 188203948 /nfs/dbraw/zinc/20/39/48/188203948.db2.gz OWZOXOFESSYFBT-UHFFFAOYSA-N 0 0 223.207 2.042 50 0 BEAARN F[C@@H]1CCCN(c2nc(C3CC3)ns2)C1 ZINC000336571333 188231394 /nfs/dbraw/zinc/23/13/94/188231394.db2.gz GWGALEKVLGYEPH-MRVPVSSYSA-N 0 0 227.308 2.354 50 0 BEAARN Fc1c2n[nH]cc2ccc1Br ZINC000095495998 180945756 /nfs/dbraw/zinc/94/57/56/180945756.db2.gz DAHIIJDLVALCAN-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN CC[C@@H](C)C(=O)Nc1nnc(C2CC2)s1 ZINC000012734486 353345072 /nfs/dbraw/zinc/34/50/72/353345072.db2.gz MKIKWGCUHDWULN-ZCFIWIBFSA-N 0 0 225.317 2.400 50 0 BEAARN Fc1ccc(CSc2nc[nH]n2)cc1 ZINC000000507843 180971707 /nfs/dbraw/zinc/97/17/07/180971707.db2.gz XLRSDRUBTQOPEY-UHFFFAOYSA-N 0 0 209.249 2.236 50 0 in-vitro BEAARN CC(=O)[C@H](NC(=O)c1ccccc1)C(C)C ZINC000003085985 188456371 /nfs/dbraw/zinc/45/63/71/188456371.db2.gz VRSAVFVWUMHEOU-GFCCVEGCSA-N 0 0 219.284 2.030 50 0 BEAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000009908503 188459574 /nfs/dbraw/zinc/45/95/74/188459574.db2.gz CSXKFQVJPQVANQ-WCBMZHEXSA-N 0 0 235.283 2.298 50 0 BEAARN CC(=O)[C@H](C)Sc1nnc(-c2ccc[nH]2)o1 ZINC000018366559 188460964 /nfs/dbraw/zinc/46/09/64/188460964.db2.gz RLLVHNPZLFZCTN-ZETCQYMHSA-N 0 0 237.284 2.134 50 0 BEAARN CCOc1ccccc1NC(=O)C1CCOCC1 ZINC000024636128 188464388 /nfs/dbraw/zinc/46/43/88/188464388.db2.gz NMULJOJERSHZEU-UHFFFAOYSA-N 0 0 249.310 2.450 50 0 BEAARN Cc1[nH]n(C(C)C)c2nc(-c3cncn3C)nc1-2 ZINC000023398203 188464976 /nfs/dbraw/zinc/46/49/76/188464976.db2.gz VOWJTIWQJAOCLQ-UHFFFAOYSA-N 0 0 244.302 2.049 50 0 BEAARN CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000032859968 188466185 /nfs/dbraw/zinc/46/61/85/188466185.db2.gz SHFCZNOUDFXTLM-UHFFFAOYSA-N 0 0 241.294 2.319 50 0 BEAARN CC(C)CNC(=O)CCc1ccccc1 ZINC000000030775 188452520 /nfs/dbraw/zinc/45/25/20/188452520.db2.gz FNZAYDHBHNUHIQ-UHFFFAOYSA-N 0 0 205.301 2.391 50 0 BEAARN CC(=O)N1N=C2CCCC[C@H]2[C@@H]1C(C)C ZINC000000238674 188452987 /nfs/dbraw/zinc/45/29/87/188452987.db2.gz PUAQGLLTOYVTSQ-PWSUYJOCSA-N 0 0 208.305 2.419 50 0 BEAARN CC(=O)N1N=C(c2ccccc2)OC12CCCC2 ZINC000000178547 188453670 /nfs/dbraw/zinc/45/36/70/188453670.db2.gz HPCKKTPGBIZSQL-UHFFFAOYSA-N 0 0 244.294 2.497 50 0 BEAARN CC(C)(C)[C@H](O)CCNC(=O)CC1CCCC1 ZINC000075157713 188470466 /nfs/dbraw/zinc/47/04/66/188470466.db2.gz BXQATWLZHRGGPD-GFCCVEGCSA-N 0 0 241.375 2.480 50 0 BEAARN CC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000049597439 188481577 /nfs/dbraw/zinc/48/15/77/188481577.db2.gz YXBYIHUUFANHGG-UHFFFAOYSA-N 0 0 233.267 2.389 50 0 BEAARN Fc1cccc(Nc2ncnc3nc[nH]c32)c1 ZINC000003356766 181002597 /nfs/dbraw/zinc/00/25/97/181002597.db2.gz WYLXIAAXCHOARG-UHFFFAOYSA-N 0 0 229.218 2.236 50 0 BEAARN Fc1ccccc1OCCn1ccnc1 ZINC000000227187 181014858 /nfs/dbraw/zinc/01/48/58/181014858.db2.gz OLEJPXTUBNNNEK-UHFFFAOYSA-N 0 0 206.220 2.101 50 0 BEAARN Fc1cccnc1NC[C@H]1CCCOC1 ZINC000054700681 181015401 /nfs/dbraw/zinc/01/54/01/181015401.db2.gz JTIBRXZUSMPHIS-SECBINFHSA-N 0 0 210.252 2.059 50 0 BEAARN Fc1cccnc1N[C@H]1CCCOCC1 ZINC000271888340 181016976 /nfs/dbraw/zinc/01/69/76/181016976.db2.gz NXRZJDZFJRRYPW-VIFPVBQESA-N 0 0 210.252 2.202 50 0 BEAARN Fc1cncc(NC[C@@H]2CCCOC2)c1 ZINC000300868843 181020573 /nfs/dbraw/zinc/02/05/73/181020573.db2.gz JRZILNSLMLFOAU-VIFPVBQESA-N 0 0 210.252 2.059 50 0 BEAARN N#CN(CCCO)c1ccc(F)c(Cl)c1 ZINC000096436660 181053383 /nfs/dbraw/zinc/05/33/83/181053383.db2.gz OEQAPWLVJZSAQK-UHFFFAOYSA-N 0 0 228.654 2.149 50 0 BEAARN O=C(NC1CC1)[C@H]1C[C@]1(F)c1ccccc1 ZINC000334560458 354112191 /nfs/dbraw/zinc/11/21/91/354112191.db2.gz OCRKYZKNOTXOHN-YPMHNXCESA-N 0 0 219.259 2.150 50 0 BEAARN CCN(C(=O)c1cnn(C)c1)c1ccccc1 ZINC000032768033 354475501 /nfs/dbraw/zinc/47/55/01/354475501.db2.gz JIJQETKLTFPLQH-UHFFFAOYSA-N 0 0 229.283 2.087 50 0 BEAARN O=C(NCc1ccco1)[C@H]1CCC(F)(F)C1 ZINC000334699558 354491945 /nfs/dbraw/zinc/49/19/45/354491945.db2.gz FDZFODSHYMQSJS-QMMMGPOBSA-N 0 0 229.226 2.331 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2cccnc2)o1 ZINC000032721737 354524849 /nfs/dbraw/zinc/52/48/49/354524849.db2.gz XYKQKEJGDCYQIX-SNVBAGLBSA-N 0 0 230.267 2.474 50 0 BEAARN CCC1CN(C(=O)c2sccc2F)C1 ZINC000335094728 354632983 /nfs/dbraw/zinc/63/29/83/354632983.db2.gz IRPIXBHLYNDLHW-UHFFFAOYSA-N 0 0 213.277 2.369 50 0 BEAARN Cc1cc(=O)n(CCSC(C)(C)C)cn1 ZINC000252488818 363390645 /nfs/dbraw/zinc/39/06/45/363390645.db2.gz IZQRQQQRCOTRER-UHFFFAOYSA-N 0 0 226.345 2.083 50 0 BEAARN Cn1cc(Cl)cc1C(=O)Nc1cccnc1 ZINC000040476720 358490968 /nfs/dbraw/zinc/49/09/68/358490968.db2.gz LDZVWTBRKLOMCT-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN CCCCC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000072323955 168742245 /nfs/dbraw/zinc/74/22/45/168742245.db2.gz POKHSIRCEXSJBL-LBPRGKRZSA-N 0 0 246.310 2.317 50 0 biogenic BEAARN CS[C@@H]1CC[C@@H](N(C)CC(F)F)C1 ZINC000308294823 355313169 /nfs/dbraw/zinc/31/31/69/355313169.db2.gz HLOKHFJNNISLEQ-HTQZYQBOSA-N 0 0 209.305 2.467 50 0 BEAARN CCCCC[S@](=O)[C@@H]1CCO[C@@H]1C ZINC000191198925 168747749 /nfs/dbraw/zinc/74/77/49/168747749.db2.gz FOCDLQJVYHHBNH-BREBYQMCSA-N 0 0 204.335 2.103 50 0 BEAARN CCC1(C(=O)NC2CC(F)(F)C2)CC1 ZINC000335860165 355622986 /nfs/dbraw/zinc/62/29/86/355622986.db2.gz GQJKIQLJDVSYSP-UHFFFAOYSA-N 0 0 203.232 2.091 50 0 BEAARN CCOc1ccc2nc3n(c2c1)CCCN3 ZINC000005285476 355742296 /nfs/dbraw/zinc/74/22/96/355742296.db2.gz NXEWSSZMAFJHDP-UHFFFAOYSA-N 0 0 217.272 2.251 50 0 BEAARN Cc1ccc(CNC(=O)c2cccs2)cn1 ZINC000047556925 355766507 /nfs/dbraw/zinc/76/65/07/355766507.db2.gz KJMXJQOJOMLQGV-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Cc1ccc(CNC(=O)C[C@H]2C=CCC2)cn1 ZINC000047557172 355766525 /nfs/dbraw/zinc/76/65/25/355766525.db2.gz HTAGXMLXFOLLRR-LBPRGKRZSA-N 0 0 230.311 2.363 50 0 BEAARN N=c1sccn1Cc1ccccc1F ZINC000004206873 181211468 /nfs/dbraw/zinc/21/14/68/181211468.db2.gz YSKVFULCFXATIM-UHFFFAOYSA-N 0 0 208.261 2.216 50 0 BEAARN CCCC(=O)N1CCn2c3ccccc3nc21 ZINC000012537163 355808053 /nfs/dbraw/zinc/80/80/53/355808053.db2.gz IFTLWKVBSFRJRG-UHFFFAOYSA-N 0 0 229.283 2.183 50 0 BEAARN Nc1cc(Cl)c(Cl)cc1NCCCO ZINC000006091072 355857577 /nfs/dbraw/zinc/85/75/77/355857577.db2.gz NOEDYYVBOOXTSI-UHFFFAOYSA-N 0 0 235.114 2.370 50 0 BEAARN NC(=O)C1(c2ccccc2F)CCCC1 ZINC000012973875 181215086 /nfs/dbraw/zinc/21/50/86/181215086.db2.gz XPZWKOXDEOJMPG-UHFFFAOYSA-N 0 0 207.248 2.123 50 0 BEAARN COC(=O)c1sccc1NC(=O)[C@@H]1C[C@H]1C ZINC000035163689 355862191 /nfs/dbraw/zinc/86/21/91/355862191.db2.gz WNUUPAXJWOBHKE-RNFRBKRXSA-N 0 0 239.296 2.129 50 0 BEAARN COC(=O)c1sccc1NC(=O)[C@H]1C[C@@H]1C ZINC000035163688 355862647 /nfs/dbraw/zinc/86/26/47/355862647.db2.gz WNUUPAXJWOBHKE-BQBZGAKWSA-N 0 0 239.296 2.129 50 0 BEAARN NC(=O)C1(c2ccccc2Cl)CCC1 ZINC000044124782 181215374 /nfs/dbraw/zinc/21/53/74/181215374.db2.gz MBIWDMVMQZETBM-UHFFFAOYSA-N 0 0 209.676 2.247 50 0 BEAARN Cc1c2ccccc2sc1C(=O)N[C@@H](C)CO ZINC000035204147 355927352 /nfs/dbraw/zinc/92/73/52/355927352.db2.gz WEQCBXBIAFNFIP-QMMMGPOBSA-N 0 0 249.335 2.320 50 0 BEAARN NC(=O)COc1ccc(Cc2ccccc2)cc1 ZINC000040538114 181239043 /nfs/dbraw/zinc/23/90/43/181239043.db2.gz XQVSQRZRLLUYGV-UHFFFAOYSA-N 0 0 241.290 2.142 50 0 BEAARN NC(=O)CSCc1c(F)cccc1Cl ZINC000000571659 181240506 /nfs/dbraw/zinc/24/05/06/181240506.db2.gz NYNDSHTZZOCSDG-UHFFFAOYSA-N 0 0 233.695 2.198 50 0 BEAARN NC(=O)Cc1c(Cl)cccc1Cl ZINC000000156352 181246417 /nfs/dbraw/zinc/24/64/17/181246417.db2.gz KEPLFZWNVMCJLI-UHFFFAOYSA-N 0 0 204.056 2.021 50 0 BEAARN NC(=O)Cc1ccc(NCc2ccccc2)cc1 ZINC000037074865 181247109 /nfs/dbraw/zinc/24/71/09/181247109.db2.gz HIACJXKUWGNYKE-UHFFFAOYSA-N 0 0 240.306 2.327 50 0 BEAARN NC(=O)NCC1(c2ccccc2)CCCC1 ZINC000005068121 181257709 /nfs/dbraw/zinc/25/77/09/181257709.db2.gz POGCDVURPYOGID-UHFFFAOYSA-N 0 0 218.300 2.167 50 0 BEAARN NC(=O)Nc1ccc(NC(=O)C2CCCC2)cc1 ZINC000032903241 181263080 /nfs/dbraw/zinc/26/30/80/181263080.db2.gz MGBFBVMVQHFYBS-UHFFFAOYSA-N 0 0 247.298 2.306 50 0 BEAARN COC(=O)N(O)c1cccc(Cl)c1 ZINC000000400501 356358925 /nfs/dbraw/zinc/35/89/25/356358925.db2.gz YVVWFHDYRQYUHQ-UHFFFAOYSA-N 0 0 201.609 2.302 50 0 BEAARN CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000336392151 356359433 /nfs/dbraw/zinc/35/94/33/356359433.db2.gz SVQGPALBLPTPEI-UHFFFAOYSA-N 0 0 223.238 2.491 50 0 BEAARN COC(=O)[C@@H]1CC[C@@](C)(c2ccccc2)C[C@H]1O ZINC000043214844 356371890 /nfs/dbraw/zinc/37/18/90/356371890.db2.gz VDEOOOAGQZSXHA-UMVBOHGHSA-N 0 0 248.322 2.278 50 0 BEAARN Cc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000049214211 356373564 /nfs/dbraw/zinc/37/35/64/356373564.db2.gz UUQVPLOOTWDDNJ-UHFFFAOYSA-N 0 0 235.352 2.113 50 0 BEAARN O=C(CCc1cccs1)Nc1cn[nH]c1 ZINC000035237671 356423788 /nfs/dbraw/zinc/42/37/88/356423788.db2.gz HNAMFHORGGYSJP-UHFFFAOYSA-N 0 0 221.285 2.043 50 0 BEAARN NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076939794 181285110 /nfs/dbraw/zinc/28/51/10/181285110.db2.gz MBNFAZWNZIQYFM-RITPCOANSA-N 0 0 213.639 2.068 50 0 BEAARN NC(=O)[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000022996754 181282714 /nfs/dbraw/zinc/28/27/14/181282714.db2.gz HRDWQNMTNONJGW-VIFPVBQESA-N 0 0 232.258 2.212 50 0 BEAARN CCN(c1nc2ccccc2o1)C1COC1 ZINC000336198805 134128221 /nfs/dbraw/zinc/12/82/21/134128221.db2.gz SNVDNPOBCFEPPE-UHFFFAOYSA-N 0 0 218.256 2.053 50 0 BEAARN CC(C)Oc1nccnc1NCc1ccncc1 ZINC000130603314 363496594 /nfs/dbraw/zinc/49/65/94/363496594.db2.gz AWMXXODWNSOHMF-UHFFFAOYSA-N 0 0 244.298 2.271 50 0 BEAARN CONC(=O)c1csc2ccccc12 ZINC000012906868 356576835 /nfs/dbraw/zinc/57/68/35/356576835.db2.gz MJRJDTTVSAIYKB-UHFFFAOYSA-N 0 0 207.254 2.193 50 0 BEAARN Cc1cc(C)c(C(N)=O)c(N2CCCCCC2)n1 ZINC000008726425 538464121 /nfs/dbraw/zinc/46/41/21/538464121.db2.gz IUQKFQYICJSWDZ-UHFFFAOYSA-N 0 0 247.342 2.178 50 0 BEAARN NC(=O)c1cc(-c2ccccc2Cl)no1 ZINC000000266272 181287743 /nfs/dbraw/zinc/28/77/43/181287743.db2.gz OONALVBQGSWPMI-UHFFFAOYSA-N 0 0 222.631 2.094 50 0 BEAARN COC(=O)[C@@H]1O[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000084324277 538531287 /nfs/dbraw/zinc/53/12/87/538531287.db2.gz XTLCHVQRGWXTST-AUTRQRHGSA-N 0 0 212.289 2.143 50 0 BEAARN Cc1cc(-c2cccc(F)c2F)nc(N)n1 ZINC000032578249 356697612 /nfs/dbraw/zinc/69/76/12/356697612.db2.gz VFEDURUSSRGJCK-UHFFFAOYSA-N 0 0 221.210 2.312 50 0 BEAARN CCOc1ccc2occ(C=O)c(=O)c2c1 ZINC000033495199 356700806 /nfs/dbraw/zinc/70/08/06/356700806.db2.gz NOYHUALJWSACLP-UHFFFAOYSA-N 0 0 218.208 2.004 50 0 BEAARN COC(=O)[C@@]1(C)O[C@]1(C)C1CCCCC1 ZINC000085657940 538544840 /nfs/dbraw/zinc/54/48/40/538544840.db2.gz ODUQUFFHYSBQIT-VXGBXAGGSA-N 0 0 212.289 2.287 50 0 BEAARN Cc1nnc(SCc2ccccc2)n1C ZINC000009145147 538552665 /nfs/dbraw/zinc/55/26/65/538552665.db2.gz IMFNWHUJWYTNIN-UHFFFAOYSA-N 0 0 219.313 2.416 50 0 BEAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000084017005 538525888 /nfs/dbraw/zinc/52/58/88/538525888.db2.gz ODEQFOQBTWSUGK-UHFFFAOYSA-N 0 0 229.283 2.448 50 0 BEAARN Cc1cnc(NC(=O)CC2CCCC2)nc1 ZINC000084258595 538528727 /nfs/dbraw/zinc/52/87/27/538528727.db2.gz GPFXRNYKZHWUSP-UHFFFAOYSA-N 0 0 219.288 2.304 50 0 BEAARN COCc1noc(-c2cccc3c2ccn3C)n1 ZINC000084321677 538528793 /nfs/dbraw/zinc/52/87/93/538528793.db2.gz ZWABUYRUFYSGCK-UHFFFAOYSA-N 0 0 243.266 2.375 50 0 BEAARN CNC(=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1 ZINC000095396871 538607472 /nfs/dbraw/zinc/60/74/72/538607472.db2.gz ZWGPEAZNLXAPGK-CHWSQXEVSA-N 0 0 248.326 2.306 50 0 BEAARN O=C(C1=CCCCO1)N1CC[C@H]2CCCC[C@@H]21 ZINC000089818647 538584464 /nfs/dbraw/zinc/58/44/64/538584464.db2.gz GANXLICJLUNNQW-NEPJUHHUSA-N 0 0 235.327 2.472 50 0 BEAARN O=C1c2ccsc2CN2CCCC[C@H]12 ZINC000089885344 538586106 /nfs/dbraw/zinc/58/61/06/538586106.db2.gz FFGYTSQUYVDFSD-SECBINFHSA-N 0 0 207.298 2.299 50 0 BEAARN O=C(c1ccncc1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089884914 538586822 /nfs/dbraw/zinc/58/68/22/538586822.db2.gz FIIULBQPRHNAFY-CHWSQXEVSA-N 0 0 228.295 2.120 50 0 BEAARN CC1(C)CC[C@@H](C(N)=O)c2ccccc21 ZINC000095348534 538603904 /nfs/dbraw/zinc/60/39/04/538603904.db2.gz PYXLNYNUSZVTNW-SNVBAGLBSA-N 0 0 203.285 2.327 50 0 BEAARN C[C@H](Nc1cnn(C)c1)c1cscn1 ZINC000095462741 538605276 /nfs/dbraw/zinc/60/52/76/538605276.db2.gz AUDLRGCXQBCRQP-ZETCQYMHSA-N 0 0 208.290 2.050 50 0 BEAARN NC(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000002382048 181289177 /nfs/dbraw/zinc/28/91/77/181289177.db2.gz GHXSHBPNICIQJS-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN S=c1nccc(NCc2cccnc2)[nH]1 ZINC000075251128 356914216 /nfs/dbraw/zinc/91/42/16/356914216.db2.gz IZKPDUOFFXEDNT-UHFFFAOYSA-N 0 0 218.285 2.146 50 0 BEAARN CCOC(=O)c1cc(NC(=O)C2CC=CC2)c[nH]1 ZINC000075258941 356920844 /nfs/dbraw/zinc/92/08/44/356920844.db2.gz UDHVHVZRXVHTMY-UHFFFAOYSA-N 0 0 248.282 2.096 50 0 BEAARN CCC[C@]1(c2ccncc2)C[C@@H](C)OC1=O ZINC000075260249 356926671 /nfs/dbraw/zinc/92/66/71/356926671.db2.gz IJCMIHWUFOLHMV-ZWNOBZJWSA-N 0 0 219.284 2.455 50 0 BEAARN NC(=O)c1cc(N)ccc1Oc1ccccc1 ZINC000041080323 181289769 /nfs/dbraw/zinc/28/97/69/181289769.db2.gz JLCAMHPHYZGTAU-UHFFFAOYSA-N 0 0 228.251 2.160 50 0 BEAARN Fc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000261493973 491106906 /nfs/dbraw/zinc/10/69/06/491106906.db2.gz NANINXFNCBWZBE-UHFFFAOYSA-N 0 0 229.682 2.311 50 0 BEAARN CCN(C(=O)c1ccc(=O)[nH]c1)c1ccccc1 ZINC000020303934 357004878 /nfs/dbraw/zinc/00/48/78/357004878.db2.gz LAGYKSMBOOPIFO-UHFFFAOYSA-N 0 0 242.278 2.042 50 0 BEAARN CCCC(=O)Nc1ccccc1N1CCOCC1 ZINC000005501746 535353920 /nfs/dbraw/zinc/35/39/20/535353920.db2.gz AQEYBABQSBLQIX-UHFFFAOYSA-N 0 0 248.326 2.262 50 0 BEAARN C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012931347 538778904 /nfs/dbraw/zinc/77/89/04/538778904.db2.gz KAIOSRQHKAAEBN-BXKDBHETSA-N 0 0 237.274 2.182 50 0 BEAARN C[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(F)c1 ZINC000012977074 538780971 /nfs/dbraw/zinc/78/09/71/538780971.db2.gz JXAGVEKCVKBHDZ-CABZTGNLSA-N 0 0 237.274 2.182 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1C ZINC000013024120 538785412 /nfs/dbraw/zinc/78/54/12/538785412.db2.gz SCCZZHWSMQEVST-RKDXNWHRSA-N 0 0 235.331 2.312 50 0 BEAARN CC(C)CNC(=O)c1cc(Cl)ccc1O ZINC000001689013 357146194 /nfs/dbraw/zinc/14/61/94/357146194.db2.gz PFUSLMCUQXYILX-UHFFFAOYSA-N 0 0 227.691 2.431 50 0 BEAARN C/C(=C\C(=O)Nc1ccccn1)N1CCCC1 ZINC000006237848 357203537 /nfs/dbraw/zinc/20/35/37/357203537.db2.gz LBQSDKFTCXJQNP-ZHACJKMWSA-N 0 0 231.299 2.020 50 0 BEAARN O=C(c1ccco1)N(Cc1ccncc1)C1CC1 ZINC000035384711 357211702 /nfs/dbraw/zinc/21/17/02/357211702.db2.gz VYGCPBBZJIWAPN-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN Cc1ccccc1NC=C1CCOC1=O ZINC000006268384 357233345 /nfs/dbraw/zinc/23/33/45/357233345.db2.gz JMTAACPNNLXUFI-NTMALXAHSA-N 0 0 203.241 2.238 50 0 BEAARN CC(C)(C)OC(=O)Cc1cccc(O)c1 ZINC000059719485 357343266 /nfs/dbraw/zinc/34/32/66/357343266.db2.gz FATJQJBKBKEGNL-UHFFFAOYSA-N 0 0 208.257 2.276 50 0 BEAARN Cc1csc(S[C@H]2C[C@H](C)OC2=O)n1 ZINC000040462984 357496123 /nfs/dbraw/zinc/49/61/23/357496123.db2.gz WESVSHWUCCCNND-BQBZGAKWSA-N 0 0 229.326 2.248 50 0 BEAARN O=C(CCCn1cccc1)NCc1ccco1 ZINC000049030968 358062302 /nfs/dbraw/zinc/06/23/02/358062302.db2.gz DBLZCTKOHQNYQJ-UHFFFAOYSA-N 0 0 232.283 2.178 50 0 BEAARN Cc1nnc(CN2CCC(C(F)(F)F)CC2)o1 ZINC000075969374 325324284 /nfs/dbraw/zinc/32/42/84/325324284.db2.gz BCZWQDYSNFCSGM-UHFFFAOYSA-N 0 0 249.236 2.152 50 0 BEAARN CN(C(=O)N1CCCO1)c1ccc(F)cc1 ZINC000190854083 358182243 /nfs/dbraw/zinc/18/22/43/358182243.db2.gz XQAJUEYQIDQNMY-UHFFFAOYSA-N 0 0 224.235 2.019 50 0 BEAARN NC(=O)c1ccc(Cl)c(Cl)c1F ZINC000263623384 181296804 /nfs/dbraw/zinc/29/68/04/181296804.db2.gz GYSPDFZIDCAYSN-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN c1csc(CN2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000134997459 358814370 /nfs/dbraw/zinc/81/43/70/358814370.db2.gz YOUKRYQBNTYLQH-JTQLQIEISA-N 0 0 248.355 2.246 50 0 BEAARN Fc1ccc(Cc2nc([C@@H]3CCOC3)no2)cc1 ZINC000075107961 359138870 /nfs/dbraw/zinc/13/88/70/359138870.db2.gz YYKKLCAGTKEGBL-SNVBAGLBSA-N 0 0 248.257 2.303 50 0 BEAARN C[C@H]1CCCC[C@@H]1OCC(=O)N1CCCC1 ZINC000089927769 360048490 /nfs/dbraw/zinc/04/84/90/360048490.db2.gz MKYQDKMNUFRQNX-RYUDHWBXSA-N 0 0 225.332 2.204 50 0 BEAARN C[C@H]1CN(Cc2ccon2)C[C@H](C)S1 ZINC000089937104 360049083 /nfs/dbraw/zinc/04/90/83/360049083.db2.gz NLYZUGFAXNYEPE-IUCAKERBSA-N 0 0 212.318 2.000 50 0 BEAARN CCc1nc(-c2ccc(C(=O)N(C)C)cc2)no1 ZINC000064551992 360221845 /nfs/dbraw/zinc/22/18/45/360221845.db2.gz GPJPSDDQCVMVBF-UHFFFAOYSA-N 0 0 245.282 2.001 50 0 BEAARN Cc1ccc(OCC(=O)Nc2ccon2)cc1C ZINC000016602559 219813693 /nfs/dbraw/zinc/81/36/93/219813693.db2.gz ICRDPMBVYUKYED-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN COc1cc(N)ccc1NC(=O)C(C)(C)C ZINC000000569963 219807113 /nfs/dbraw/zinc/80/71/13/219807113.db2.gz HLSNWZDYAAXRDK-UHFFFAOYSA-N 0 0 222.288 2.262 50 0 BEAARN NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000032820420 181302191 /nfs/dbraw/zinc/30/21/91/181302191.db2.gz BCQDETDNQXJSOK-UHFFFAOYSA-N 0 0 209.248 2.357 50 0 BEAARN CC1(C)COCCN1C(=O)c1ccc(F)cc1 ZINC000036101961 360599888 /nfs/dbraw/zinc/59/98/88/360599888.db2.gz ZWBGOMMBTGAXBN-UHFFFAOYSA-N 0 0 237.274 2.077 50 0 BEAARN NC(=O)c1cccc(NC(=O)C[C@H]2C=CCC2)c1 ZINC000014019821 181304459 /nfs/dbraw/zinc/30/44/59/181304459.db2.gz PZNOGNLVAKKPDS-JTQLQIEISA-N 0 0 244.294 2.080 50 0 BEAARN O=C1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000069850903 360703850 /nfs/dbraw/zinc/70/38/50/360703850.db2.gz TWIOXRCEUZACFG-NSHDSACASA-N 0 0 212.195 2.385 50 0 BEAARN NC(=O)c1ccccc1Oc1cccc(N)c1 ZINC000038056472 181306398 /nfs/dbraw/zinc/30/63/98/181306398.db2.gz XLSPVAFOIRLXNJ-UHFFFAOYSA-N 0 0 228.251 2.160 50 0 BEAARN Cc1cc(C(=O)N(C)Cc2ccccc2)on1 ZINC000006738058 360704482 /nfs/dbraw/zinc/70/44/82/360704482.db2.gz FMHSXKCXXOVCJW-UHFFFAOYSA-N 0 0 230.267 2.255 50 0 BEAARN NC(=O)c1cnc2ccc(F)cc2c1Cl ZINC000096193745 181308900 /nfs/dbraw/zinc/30/89/00/181308900.db2.gz KGVDBWZRNKFOEY-UHFFFAOYSA-N 0 0 224.622 2.126 50 0 BEAARN CC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000071781736 200661185 /nfs/dbraw/zinc/66/11/85/200661185.db2.gz GQZCJCKZDJUWGW-UHFFFAOYSA-N 0 0 247.172 2.113 50 0 BEAARN Fc1cc(Br)cc2c1OCCN2 ZINC000074937882 200662318 /nfs/dbraw/zinc/66/23/18/200662318.db2.gz HPXAPSFLFJWDJH-UHFFFAOYSA-N 0 0 232.052 2.393 50 0 BEAARN NC(=S)Cc1ccc(F)c(Br)c1 ZINC000019406627 181317817 /nfs/dbraw/zinc/31/78/17/181317817.db2.gz GOLFXNQBZQCQLL-UHFFFAOYSA-N 0 0 248.120 2.417 50 0 BEAARN NC(=S)Nc1ccc(-c2nccs2)cc1 ZINC000032625263 181319409 /nfs/dbraw/zinc/31/94/09/181319409.db2.gz YIIYVKHPENRRFF-UHFFFAOYSA-N 0 0 235.337 2.466 50 0 BEAARN NC(=S)Nc1nc(-c2ccccc2)cs1 ZINC000001245477 181319482 /nfs/dbraw/zinc/31/94/82/181319482.db2.gz UCIPRGBBFKCVEY-UHFFFAOYSA-N 0 0 235.337 2.466 50 0 BEAARN NC(=S)Nc1cccc(Br)c1 ZINC000002528129 181319485 /nfs/dbraw/zinc/31/94/85/181319485.db2.gz XBRVSIPVHYWULW-UHFFFAOYSA-N 0 0 231.118 2.105 50 0 BEAARN NC(=S)Nc1ccccc1Br ZINC000013657240 181319629 /nfs/dbraw/zinc/31/96/29/181319629.db2.gz QIGMVYSPXPXCPN-UHFFFAOYSA-N 0 0 231.118 2.105 50 0 BEAARN CCCN(C[C@@H]1CCOC1)C(=O)NCC(C)C ZINC000169749107 361023743 /nfs/dbraw/zinc/02/37/43/361023743.db2.gz NVGPPZAVFMVDBK-LBPRGKRZSA-N 0 0 242.363 2.101 50 0 BEAARN NC(=S)c1ccc(NC(=O)c2ccco2)cc1 ZINC000004207286 181320995 /nfs/dbraw/zinc/32/09/95/181320995.db2.gz RXMLGSFGWMVUMC-UHFFFAOYSA-N 0 0 246.291 2.166 50 0 BEAARN NC(=S)c1ccc(F)cc1Br ZINC000083360531 181321060 /nfs/dbraw/zinc/32/10/60/181321060.db2.gz JIMPQBDFPLAETL-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)c1ccco1 ZINC000036398507 361084395 /nfs/dbraw/zinc/08/43/95/361084395.db2.gz RCTGTFJSNPGIPX-VIFPVBQESA-N 0 0 219.240 2.234 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)c1ccco1 ZINC000036398508 361084790 /nfs/dbraw/zinc/08/47/90/361084790.db2.gz RCTGTFJSNPGIPX-SECBINFHSA-N 0 0 219.240 2.234 50 0 BEAARN C[C@@]1(C(=O)NCC2CCC2)CC1(Cl)Cl ZINC000036391356 361073578 /nfs/dbraw/zinc/07/35/78/361073578.db2.gz WKCAYBFXMQZNHU-VIFPVBQESA-N 0 0 236.142 2.487 50 0 BEAARN NC(=S)c1ncc(Cl)cc1Cl ZINC000083344907 181322923 /nfs/dbraw/zinc/32/29/23/181322923.db2.gz HMRMDTOJLNOIJE-UHFFFAOYSA-N 0 0 207.085 2.023 50 0 BEAARN Cc1cc(-c2cncnc2)nc(-c2cccnc2)n1 ZINC000426668953 200995246 /nfs/dbraw/zinc/99/52/46/200995246.db2.gz GWRNIEVGIASXCS-UHFFFAOYSA-N 0 0 249.277 2.304 50 0 BEAARN OCc1ccnc(Cl)c1C(F)(F)F ZINC000238728138 361371784 /nfs/dbraw/zinc/37/17/84/361371784.db2.gz OXTSWXQKZWKMLR-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCC(F)(F)CNC1CCCCCCC1 ZINC000170082470 361389228 /nfs/dbraw/zinc/38/92/28/361389228.db2.gz UOIMICXIEREARR-UHFFFAOYSA-N 0 0 221.291 2.317 50 0 BEAARN CCCC[C@@H]1CCC[C@H]1NC(=O)COC ZINC000068710556 361479921 /nfs/dbraw/zinc/47/99/21/361479921.db2.gz OUJYZIBTFZBTPL-GHMZBOCLSA-N 0 0 213.321 2.108 50 0 BEAARN NC1=NC(=O)SC1=Cc1ccc(F)cc1 ZINC000012732446 181337831 /nfs/dbraw/zinc/33/78/31/181337831.db2.gz UUWPWZYFHBGHBL-YVMONPNESA-N 0 0 222.244 2.391 50 0 BEAARN N=C1Nc2ccccc2Oc2ncccc21 ZINC000019770029 181340293 /nfs/dbraw/zinc/34/02/93/181340293.db2.gz GTYQGHKBYIWNNF-UHFFFAOYSA-N 0 0 211.224 2.224 50 0 BEAARN COCCN(C)c1ccc(-c2ccncc2)cn1 ZINC000629689847 361624117 /nfs/dbraw/zinc/62/41/17/361624117.db2.gz BGAGIGWKKSMCNO-UHFFFAOYSA-N 0 0 243.310 2.226 50 0 BEAARN CN(CC1CCCCC1)C(=O)c1ccc[nH]c1=O ZINC000032753018 363846171 /nfs/dbraw/zinc/84/61/71/363846171.db2.gz XLNDDGIKDRREHP-UHFFFAOYSA-N 0 0 248.326 2.027 50 0 BEAARN O=C1CCC[C@@H]1Oc1ccc2ccc(=O)oc2c1 ZINC000224898503 363874075 /nfs/dbraw/zinc/87/40/75/363874075.db2.gz QFUMPNFYILIPHF-LBPRGKRZSA-N 0 0 244.246 2.293 50 0 BEAARN CC[C@@H](C)NC(=O)c1cn2ccc(C)cc2n1 ZINC000027338239 363877086 /nfs/dbraw/zinc/87/70/86/363877086.db2.gz AZPDCLSQAYOSMM-SNVBAGLBSA-N 0 0 231.299 2.171 50 0 BEAARN CC(C)OC(=O)O[C@H](C)Sc1cnccn1 ZINC000170660260 363937547 /nfs/dbraw/zinc/93/75/47/363937547.db2.gz IQPAKKJONHKKJR-QMMMGPOBSA-N 0 0 242.300 2.476 50 0 BEAARN C[C@@H]1CN(C(=O)C2=CCCCO2)C[C@@H](C)S1 ZINC000074095031 541312351 /nfs/dbraw/zinc/31/23/51/541312351.db2.gz FZGQNEGDOUUSGZ-NXEZZACHSA-N 0 0 241.356 2.033 50 0 BEAARN O=C(O[C@@H]1CCSC1)c1ccncc1Cl ZINC000075028725 541316578 /nfs/dbraw/zinc/31/65/78/541316578.db2.gz WCRFWLGFKOJDFK-SSDOTTSWSA-N 0 0 243.715 2.397 50 0 BEAARN O=C(O[C@H]1CCSC1)c1ccncc1Cl ZINC000075028727 541316609 /nfs/dbraw/zinc/31/66/09/541316609.db2.gz WCRFWLGFKOJDFK-ZETCQYMHSA-N 0 0 243.715 2.397 50 0 BEAARN COC1CCC(OC(=O)/C=C/C2CC2)CC1 ZINC000170661547 363952497 /nfs/dbraw/zinc/95/24/97/363952497.db2.gz RBBTYCPXUHBUOT-RUDMXATFSA-N 0 0 224.300 2.453 50 0 BEAARN OCc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000725273540 541341168 /nfs/dbraw/zinc/34/11/68/541341168.db2.gz JYAPIOFDAXNPDP-UHFFFAOYSA-N 0 0 230.267 2.496 50 0 BEAARN C/C=C/C=C/C(=O)Nc1ccccc1C(=O)NC ZINC000027398933 364597706 /nfs/dbraw/zinc/59/77/06/364597706.db2.gz OPTWMCADPOPWOQ-COBAKMAKSA-N 0 0 244.294 2.117 50 0 BEAARN [NH3+]CCC12C[C@H]3C[C@@H](C1)CC(CC(=O)[O-])(C3)C2 ZINC000004964286 181370800 /nfs/dbraw/zinc/37/08/00/181370800.db2.gz IEVSAOULKWXKHW-WHCAJBEMSA-N 0 0 237.343 2.397 50 0 BEAARN Cc1cc(N=c2ssnc2Cl)no1 ZINC000252517993 541442582 /nfs/dbraw/zinc/44/25/82/541442582.db2.gz WRUOVHMRQWDAGZ-UHFFFAOYSA-N 0 0 233.705 2.387 50 0 BEAARN C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000032814511 541502655 /nfs/dbraw/zinc/50/26/55/541502655.db2.gz HOOWODVZLIFDTM-SNVBAGLBSA-N 0 0 209.264 2.219 50 0 BEAARN CC(C)(C)NC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000052998094 541514357 /nfs/dbraw/zinc/51/43/57/541514357.db2.gz LDYUAGMAPUPROD-LBPRGKRZSA-N 0 0 246.310 2.419 50 0 BEAARN Cc1nc(C)n(CCc2ccc(F)c(F)c2)n1 ZINC000183135129 366979678 /nfs/dbraw/zinc/97/96/78/366979678.db2.gz WPEOVKGBVHBCSZ-UHFFFAOYSA-N 0 0 237.253 2.416 50 0 BEAARN CCN(CC)C(=O)c1nn(CC)cc1Cl ZINC000002781503 367772918 /nfs/dbraw/zinc/77/29/18/367772918.db2.gz MRFTZJCNAPOEJA-UHFFFAOYSA-N 0 0 229.711 2.038 50 0 BEAARN CCOC(=O)CCCc1ccc(C#N)cc1N ZINC000095635149 368338866 /nfs/dbraw/zinc/33/88/66/368338866.db2.gz IKMMJWGYXDEWBO-UHFFFAOYSA-N 0 0 232.283 2.026 50 0 BEAARN NS(=O)(=O)c1cccc2oc3ccccc3c21 ZINC000019865981 368371907 /nfs/dbraw/zinc/37/19/07/368371907.db2.gz YAXFSEZKMUVRDJ-UHFFFAOYSA-N 0 0 247.275 2.233 50 0 BEAARN COc1ccnc(-c2ccc(OC)nc2OC)c1 ZINC000200549943 368397892 /nfs/dbraw/zinc/39/78/92/368397892.db2.gz BDCLNPVYDUAECI-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN Nc1ccc2oc(=O)ccc2c1Br ZINC000199124993 368398468 /nfs/dbraw/zinc/39/84/68/368398468.db2.gz RSXDVEDLHMBZGM-UHFFFAOYSA-N 0 0 240.056 2.138 50 0 BEAARN NC(=O)c1cc(F)cc(Cl)c1Cl ZINC000204338413 368399446 /nfs/dbraw/zinc/39/94/46/368399446.db2.gz VGBJIOAZBMHRSQ-UHFFFAOYSA-N 0 0 208.019 2.231 50 0 BEAARN c1ccc([C@@H]2OC[C@H]3OC=CC[C@H]3O2)cc1 ZINC000100993619 368383797 /nfs/dbraw/zinc/38/37/97/368383797.db2.gz ZWTPHMOGEFPPBJ-JHJVBQTASA-N 0 0 218.252 2.403 50 0 BEAARN CC(C)COc1ccc2c(N)n[nH]c2c1 ZINC000205503241 368399859 /nfs/dbraw/zinc/39/98/59/368399859.db2.gz KOUPXNGTRRZRRU-UHFFFAOYSA-N 0 0 205.261 2.180 50 0 BEAARN CCOC(=O)c1ncoc1Cc1ccccc1 ZINC000146658712 368394707 /nfs/dbraw/zinc/39/47/07/368394707.db2.gz HKTCARWISGVHPQ-UHFFFAOYSA-N 0 0 231.251 2.442 50 0 BEAARN CC(C)(C)OC(=O)N1CCC/C(=C(/F)CO)C1 ZINC000146951561 368395264 /nfs/dbraw/zinc/39/52/64/368395264.db2.gz LZCGMXWLFIVGKZ-KTKRTIGZSA-N 0 0 245.294 2.233 50 0 BEAARN Cc1ccc2[nH]c(C[NH2+][C@H]3CCSC3)nc2c1 ZINC000584890069 369037496 /nfs/dbraw/zinc/03/74/96/369037496.db2.gz NYEUQKYNNOSOTQ-JTQLQIEISA-N 0 0 247.367 2.466 50 0 BEAARN CSCCC(=O)NCCCC[C@@H]1CCCO1 ZINC000584898240 369045076 /nfs/dbraw/zinc/04/50/76/369045076.db2.gz JWCSELWLVVBKFA-LLVKDONJSA-N 0 0 245.388 2.205 50 0 BEAARN CCCc1cc(=O)n(-c2ccccc2C)[nH]1 ZINC000017832026 368984850 /nfs/dbraw/zinc/98/48/50/368984850.db2.gz JJKICBMJZMRXKX-UHFFFAOYSA-N 0 0 216.284 2.427 50 0 BEAARN CSc1nc(Cc2ccccc2)cc(=O)[nH]1 ZINC000017836804 368985715 /nfs/dbraw/zinc/98/57/15/368985715.db2.gz FQRCZXHZAKAIFX-UHFFFAOYSA-N 0 0 232.308 2.083 50 0 BEAARN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)C ZINC000012913980 370985593 /nfs/dbraw/zinc/98/55/93/370985593.db2.gz SRXIPKPJWCBWKX-JTQLQIEISA-N 0 0 233.311 2.031 50 0 BEAARN Cn1ccc(NC(=O)/C=C/c2cccs2)n1 ZINC000008749035 370365648 /nfs/dbraw/zinc/36/56/48/370365648.db2.gz GLZDALGIFGEGPT-SNAWJCMRSA-N 0 0 233.296 2.134 50 0 BEAARN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCC(=O)N1 ZINC000123797029 371106764 /nfs/dbraw/zinc/10/67/64/371106764.db2.gz VOUCKLWINFKMHE-LBPRGKRZSA-N 0 0 243.228 2.315 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000002385840 181538850 /nfs/dbraw/zinc/53/88/50/181538850.db2.gz WSVMIVFELRCSPA-CYBMUJFWSA-N 0 0 229.279 2.184 50 0 BEAARN Cc1cnc(CN2CC(C)(C)C2(C)C)cn1 ZINC000079475486 371195062 /nfs/dbraw/zinc/19/50/62/371195062.db2.gz CDLZGQMGOCSLAX-UHFFFAOYSA-N 0 0 219.332 2.405 50 0 BEAARN CCCCS[C@H](C)C(=O)N[C@H](C)CCCO ZINC000079095206 371181006 /nfs/dbraw/zinc/18/10/06/371181006.db2.gz YWEXSDCGVKLIMP-GHMZBOCLSA-N 0 0 247.404 2.185 50 0 BEAARN CC(=O)[C@@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000390826467 371237794 /nfs/dbraw/zinc/23/77/94/371237794.db2.gz MASKKZQOOMCUDM-LLVKDONJSA-N 0 0 241.294 2.045 50 0 BEAARN CC(C)(C)C(=O)N1CCn2nc(C3CC3)cc2C1 ZINC000390829075 371239616 /nfs/dbraw/zinc/23/96/16/371239616.db2.gz CPQRBCWTZHCPTC-UHFFFAOYSA-N 0 0 247.342 2.149 50 0 BEAARN CCCCS(=O)(=O)N1CCC2(CCCC2)C1 ZINC000095402927 371279717 /nfs/dbraw/zinc/27/97/17/371279717.db2.gz IFDNPJAGDGBIGO-UHFFFAOYSA-N 0 0 245.388 2.382 50 0 BEAARN [NH3+][C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000038478229 181616750 /nfs/dbraw/zinc/61/67/50/181616750.db2.gz VOINSBLLXKDEJC-SECBINFHSA-N 0 0 247.216 2.050 50 0 BEAARN CCN(Cc1noc(C)n1)C(=O)[C@H]1CC=CCC1 ZINC000020543275 371294551 /nfs/dbraw/zinc/29/45/51/371294551.db2.gz RHOMDSWGUKBZMH-NSHDSACASA-N 0 0 249.314 2.083 50 0 BEAARN CCCn1c(CN(C)C(C)=O)nc2ccccc21 ZINC000020890309 371349933 /nfs/dbraw/zinc/34/99/33/371349933.db2.gz YWIJZNFRBIJNLU-UHFFFAOYSA-N 0 0 245.326 2.425 50 0 BEAARN Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000004674338 181673944 /nfs/dbraw/zinc/67/39/44/181673944.db2.gz IMSSZTMAIXSKJJ-UHFFFAOYSA-N 0 0 244.117 2.483 50 0 BEAARN Nc1n[nH]c(-c2ccccc2)c1Br ZINC000004692797 181663632 /nfs/dbraw/zinc/66/36/32/181663632.db2.gz QTNVXMOPTHGCII-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 in-vitro BEAARN Nc1c(F)c(F)ccc1Br ZINC000002513894 181665937 /nfs/dbraw/zinc/66/59/37/181665937.db2.gz JNGHCYWHCPSWFW-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC000020268559 181696571 /nfs/dbraw/zinc/69/65/71/181696571.db2.gz VIHRGSUFMGKDHL-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN Nc1ccc(C(=O)Nc2ccco2)cc1 ZINC000000260954 181702369 /nfs/dbraw/zinc/70/23/69/181702369.db2.gz OPUZLTHGCQFFAG-UHFFFAOYSA-N 0 0 202.213 2.114 50 0 BEAARN CNN(C)c1cccc(Br)c1 ZINC000096026654 371380966 /nfs/dbraw/zinc/38/09/66/371380966.db2.gz PCTZRPIBSKLUIV-UHFFFAOYSA-N 0 0 215.094 2.020 50 0 BEAARN Nc1cnc(-c2cnc3ccccc3c2)cn1 ZINC000020877857 181768014 /nfs/dbraw/zinc/76/80/14/181768014.db2.gz LHCFLMSYWGJJIX-UHFFFAOYSA-N 0 0 222.251 2.274 50 0 BEAARN Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000004362787 181748008 /nfs/dbraw/zinc/74/80/08/181748008.db2.gz SOZFVONLAQIHRF-UHFFFAOYSA-N 0 0 248.307 2.070 50 0 BEAARN C[C@@H]1CCC(C)(C)N1C(=O)COC(F)F ZINC000335180298 371532154 /nfs/dbraw/zinc/53/21/54/371532154.db2.gz XSCNYWVYGIRAJU-SSDOTTSWSA-N 0 0 221.247 2.015 50 0 BEAARN Nc1ccccc1Sc1nncs1 ZINC000019845683 181758143 /nfs/dbraw/zinc/75/81/43/181758143.db2.gz CJBSPMNTGXDOHJ-UHFFFAOYSA-N 0 0 209.299 2.272 50 0 BEAARN CC1(C)C[C@H](NC(=O)c2cccnc2)C(C)(C)O1 ZINC000097047099 371539511 /nfs/dbraw/zinc/53/95/11/371539511.db2.gz MATNPKHPIFCMTH-NSHDSACASA-N 0 0 248.326 2.158 50 0 BEAARN Nc1ccn(-c2ccccc2C(F)(F)F)n1 ZINC000051692485 181759155 /nfs/dbraw/zinc/75/91/55/181759155.db2.gz RLZJNTKBEUHHOL-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN CCOCSc1nnc(OC(C)C)s1 ZINC000225583595 371558755 /nfs/dbraw/zinc/55/87/55/371558755.db2.gz DEHGPMAIFFXTST-UHFFFAOYSA-N 0 0 234.346 2.411 50 0 BEAARN Nc1ccsc1-c1nc(C2CC2)no1 ZINC000021792649 371495641 /nfs/dbraw/zinc/49/56/41/371495641.db2.gz IMLBWNDAUAIWRB-UHFFFAOYSA-N 0 0 207.258 2.258 50 0 BEAARN Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000000137078 181776043 /nfs/dbraw/zinc/77/60/43/181776043.db2.gz AKVSKDDSOWLASE-UHFFFAOYSA-N 0 0 220.253 2.121 50 0 BEAARN Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000036753208 181777232 /nfs/dbraw/zinc/77/72/32/181777232.db2.gz HKUJGFWNXMTAPM-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Cn1ccc(-c2nc(-c3ccc(F)cc3)no2)n1 ZINC000002730842 371642054 /nfs/dbraw/zinc/64/20/54/371642054.db2.gz SRFAZLNYPZYTTD-UHFFFAOYSA-N 0 0 244.229 2.276 50 0 BEAARN Nc1nc(Cl)cc(Nc2ccccc2)n1 ZINC000001398036 181783844 /nfs/dbraw/zinc/78/38/44/181783844.db2.gz RWJSOYGVBODASE-UHFFFAOYSA-N 0 0 220.663 2.456 50 0 BEAARN Nc1ncc(C(F)(F)F)cc1Br ZINC000016159007 181796344 /nfs/dbraw/zinc/79/63/44/181796344.db2.gz KBNACDZKKVMULE-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN CCOc1ccccc1CNc1nc(C)nn1C ZINC000162497524 371699663 /nfs/dbraw/zinc/69/96/63/371699663.db2.gz XROGWMYAEQLRBU-UHFFFAOYSA-N 0 0 246.314 2.134 50 0 BEAARN CCc1nc2c(C)nn(CC)c2c(NC2CC2)n1 ZINC000057355577 371772143 /nfs/dbraw/zinc/77/21/43/371772143.db2.gz RAEARCZDFVNYMZ-UHFFFAOYSA-N 0 0 245.330 2.291 50 0 BEAARN Nc1nccc(-c2cc(Cl)ccc2O)n1 ZINC000015022172 181800304 /nfs/dbraw/zinc/80/03/04/181800304.db2.gz DWDQNNFLFWSVJI-UHFFFAOYSA-N 0 0 221.647 2.085 50 0 BEAARN Nc1nnc(Cc2ccc3ccccc3c2)o1 ZINC000019390697 181813791 /nfs/dbraw/zinc/81/37/91/181813791.db2.gz NXDLPMQTRAVDLA-UHFFFAOYSA-N 0 0 225.251 2.396 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)NC1CCCC1 ZINC000031053442 372009347 /nfs/dbraw/zinc/00/93/47/372009347.db2.gz BMIXSCRWBKPPOK-JTQLQIEISA-N 0 0 236.315 2.452 50 0 BEAARN Cc1csc(CCNC(=O)c2ccco2)n1 ZINC000031849008 372118003 /nfs/dbraw/zinc/11/80/03/372118003.db2.gz IEYOQTFOBCFXOB-UHFFFAOYSA-N 0 0 236.296 2.017 50 0 BEAARN COc1cc(F)ccc1-c1ccnc(NC#N)n1 ZINC000032093666 372146807 /nfs/dbraw/zinc/14/68/07/372146807.db2.gz CJQWHWROODWBJE-UHFFFAOYSA-N 0 0 244.229 2.184 50 0 BEAARN O=C(C1CCOCC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000089817853 181871191 /nfs/dbraw/zinc/87/11/91/181871191.db2.gz NVBOLDBZOAOVLV-WCQYABFASA-N 0 0 237.343 2.204 50 0 BEAARN O=C(CC[C@H]1CCCO1)N1CCCCCC1 ZINC000040073301 181926421 /nfs/dbraw/zinc/92/64/21/181926421.db2.gz WXUQTYBQRBNJEN-GFCCVEGCSA-N 0 0 225.332 2.348 50 0 BEAARN O=C(CCc1ccsc1)Nc1cnns1 ZINC000188246080 181938886 /nfs/dbraw/zinc/93/88/86/181938886.db2.gz LHEYWTLBMGURSK-UHFFFAOYSA-N 0 0 239.325 2.171 50 0 BEAARN O=C(CCn1cccn1)Nc1ccc(F)cc1 ZINC000020602912 181949697 /nfs/dbraw/zinc/94/96/97/181949697.db2.gz UGMQCNIWMPXDLM-UHFFFAOYSA-N 0 0 233.246 2.051 50 0 BEAARN Cc1ccc(NC(=O)c2cnc(C)cn2)cc1 ZINC000008753615 372880251 /nfs/dbraw/zinc/88/02/51/372880251.db2.gz FIBFVBLTKQLMKF-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN O=C(COc1ccccc1Cl)n1cccn1 ZINC000002763120 182002517 /nfs/dbraw/zinc/00/25/17/182002517.db2.gz BFQKAHRJLMWKGK-UHFFFAOYSA-N 0 0 236.658 2.256 50 0 BEAARN O=C(COc1ccccc1)Nc1ccccc1O ZINC000000406702 182002849 /nfs/dbraw/zinc/00/28/49/182002849.db2.gz CDCGNSIPUSWYOD-UHFFFAOYSA-N 0 0 243.262 2.410 50 0 BEAARN O=C(COc1ccccc1)NCc1ccccc1 ZINC000003899080 182003487 /nfs/dbraw/zinc/00/34/87/182003487.db2.gz WPNWGIALOINNCO-UHFFFAOYSA-N 0 0 241.290 2.382 50 0 BEAARN O=C(CSc1ncccn1)c1ccccc1 ZINC000000123324 182010505 /nfs/dbraw/zinc/01/05/05/182010505.db2.gz GHFPOZONKDONET-UHFFFAOYSA-N 0 0 230.292 2.452 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NC[C@H]1CCCS1 ZINC000089598146 182013339 /nfs/dbraw/zinc/01/33/39/182013339.db2.gz KLRJGAWAKTXEJR-GHMZBOCLSA-N 0 0 225.357 2.355 50 0 BEAARN O=C(C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000168945961 182021945 /nfs/dbraw/zinc/02/19/45/182021945.db2.gz GUOWJBVUOPEYOU-VIFPVBQESA-N 0 0 208.232 2.435 50 0 BEAARN O=C(Cc1c[nH]c2ccccc12)N1CCCC1 ZINC000005392391 182032626 /nfs/dbraw/zinc/03/26/26/182032626.db2.gz OEGMOEKMVWSPHW-UHFFFAOYSA-N 0 0 228.295 2.333 50 0 BEAARN O=C(Cc1cc(F)ccc1F)N1CCCCO1 ZINC000170603968 182034859 /nfs/dbraw/zinc/03/48/59/182034859.db2.gz RMDJPIWUQCJKSC-UHFFFAOYSA-N 0 0 241.237 2.061 50 0 BEAARN O=C(Cc1ccc(F)c(F)c1)N1CCCC1 ZINC000086962787 182035585 /nfs/dbraw/zinc/03/55/85/182035585.db2.gz LOOLUGXTHIXHBO-UHFFFAOYSA-N 0 0 225.238 2.130 50 0 BEAARN O=C(Cc1ccc(F)cc1)Nc1cccnc1 ZINC000000318927 182036921 /nfs/dbraw/zinc/03/69/21/182036921.db2.gz XUWBQWWPYPGVFQ-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN CCCCNC(=O)C(=O)Nc1ccc(CC)cc1 ZINC000003080217 168837019 /nfs/dbraw/zinc/83/70/19/168837019.db2.gz TUCQOKDRCXGYFW-UHFFFAOYSA-N 0 0 248.326 2.104 50 0 biogenic BEAARN O=C(Cc1cccc(Cl)c1F)N1CCC1 ZINC000289640721 182041043 /nfs/dbraw/zinc/04/10/43/182041043.db2.gz WPQBUCLUCPDLIY-UHFFFAOYSA-N 0 0 227.666 2.254 50 0 BEAARN Cc1ccc(-n2nnnc2C(F)(F)F)cc1C ZINC000039933032 373062595 /nfs/dbraw/zinc/06/25/95/373062595.db2.gz HVGVNELTCISZFB-UHFFFAOYSA-N 0 0 242.204 2.298 50 0 BEAARN CCOc1c[nH]c(-c2ccc(OC)cc2)n1 ZINC000039931323 373062977 /nfs/dbraw/zinc/06/29/77/373062977.db2.gz VJKKKRZVUJKVKY-UHFFFAOYSA-N 0 0 218.256 2.484 50 0 BEAARN O=C1c2cccn2C/C1=C1\CCn2cccc21 ZINC000039931091 373063259 /nfs/dbraw/zinc/06/32/59/373063259.db2.gz QXMMFXIOBVXCKQ-KHPPLWFESA-N 0 0 224.263 2.343 50 0 BEAARN CC[C@@H](C)C(=O)N[C@@H](C)Cc1ccco1 ZINC000040074693 373102456 /nfs/dbraw/zinc/10/24/56/373102456.db2.gz WMPBOUCRBQIJKZ-ZJUUUORDSA-N 0 0 209.289 2.373 50 0 BEAARN CC1(Nc2cc([C@H]3C[C@@H](O)C3)ncn2)CCC1 ZINC000244719200 373112649 /nfs/dbraw/zinc/11/26/49/373112649.db2.gz LYQUMBRHHBQKQQ-AOOOYVTPSA-N 0 0 233.315 2.069 50 0 BEAARN O=C(Cn1cccn1)Nc1ccc(Cl)cc1 ZINC000012986027 182069815 /nfs/dbraw/zinc/06/98/15/182069815.db2.gz VTLQELQRUXVERD-UHFFFAOYSA-N 0 0 235.674 2.175 50 0 BEAARN O=C(N1CCCCC1)C(Cl)(Cl)Cl ZINC000000105801 182079700 /nfs/dbraw/zinc/07/97/00/182079700.db2.gz COHUYGSEUCDFQT-UHFFFAOYSA-N 0 0 230.522 2.369 50 0 BEAARN O=C(Cn1ncc2ccccc21)N1CCCCC1 ZINC000089873288 182075710 /nfs/dbraw/zinc/07/57/10/182075710.db2.gz UPUHUDLLEUBECW-UHFFFAOYSA-N 0 0 243.310 2.049 50 0 BEAARN CCCc1nnc(NC(=O)c2ccco2)s1 ZINC000009087680 373217941 /nfs/dbraw/zinc/21/79/41/373217941.db2.gz FUPAUHXMKAQGLL-UHFFFAOYSA-N 0 0 237.284 2.336 50 0 BEAARN O=C(NC1=NCCS1)c1cc2ccccc2o1 ZINC000000300679 182093209 /nfs/dbraw/zinc/09/32/09/182093209.db2.gz ATOYVXMECOJVNS-UHFFFAOYSA-N 0 0 246.291 2.265 50 0 BEAARN COC(=O)c1occc1CN1CCCC[C@@H]1C ZINC000040475806 373293902 /nfs/dbraw/zinc/29/39/02/373293902.db2.gz WYNCPUIXSWPQFA-JTQLQIEISA-N 0 0 237.299 2.441 50 0 BEAARN O=C(NC1CC1)c1ccc2ccccc2n1 ZINC000001465724 182099444 /nfs/dbraw/zinc/09/94/44/182099444.db2.gz IWPZJPQGXHRNIO-UHFFFAOYSA-N 0 0 212.252 2.127 50 0 BEAARN O=C(NC1CCCC1)c1ccc2[nH]cnc2c1 ZINC000004103265 182111547 /nfs/dbraw/zinc/11/15/47/182111547.db2.gz DTTXUIRLYICZHO-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN O=C(NC1CCCC1)c1ccc2c(c1)CCO2 ZINC000032795524 182111589 /nfs/dbraw/zinc/11/15/89/182111589.db2.gz PGQFILXHELEKTK-UHFFFAOYSA-N 0 0 231.295 2.294 50 0 BEAARN O=C(NC1CCCCCCC1)[C@@H]1CCCO1 ZINC000000473793 182114260 /nfs/dbraw/zinc/11/42/60/182114260.db2.gz AVRNMKGMAHHPCF-LBPRGKRZSA-N 0 0 225.332 2.395 50 0 BEAARN O=C(NC1CCCCC1)c1cccnc1 ZINC000000362767 182114746 /nfs/dbraw/zinc/11/47/46/182114746.db2.gz VQRIASKDLZXYTO-UHFFFAOYSA-N 0 0 204.273 2.144 50 0 BEAARN O=C(NC1CCCC1)[C@H]1COc2ccccc2C1 ZINC000008843797 182109538 /nfs/dbraw/zinc/10/95/38/182109538.db2.gz AYMOKIBMBRREQB-GFCCVEGCSA-N 0 0 245.322 2.297 50 0 BEAARN CCOc1ccccc1C(=O)Nc1cnn(C)c1 ZINC000040510933 373408393 /nfs/dbraw/zinc/40/83/93/373408393.db2.gz PNKFDMSJAJBJDC-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CC(C)CCC(=O)NCc1cccnc1N(C)C ZINC000040525144 373449311 /nfs/dbraw/zinc/44/93/11/373449311.db2.gz ZTFRHRLDFTXKDV-UHFFFAOYSA-N 0 0 249.358 2.200 50 0 BEAARN O=C(NCC12CC3CC(CC(C3)C1)C2)N1CC1 ZINC000027988269 182132658 /nfs/dbraw/zinc/13/26/58/182132658.db2.gz WTFCAZOCJOHOAB-UHFFFAOYSA-N 0 0 234.343 2.228 50 0 BEAARN O=C(NCC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000007990275 182124825 /nfs/dbraw/zinc/12/48/25/182124825.db2.gz DBZURJJHDJAYST-UHFFFAOYSA-N 0 0 243.228 2.467 50 0 BEAARN O=C(NCC(F)(F)F)c1cccs1 ZINC000038488693 182124951 /nfs/dbraw/zinc/12/49/51/182124951.db2.gz OEKSZICJVPCAAY-UHFFFAOYSA-N 0 0 209.192 2.040 50 0 BEAARN O=C(NCC1CC1)Nc1ccc(F)cc1 ZINC000012976124 182138084 /nfs/dbraw/zinc/13/80/84/182138084.db2.gz LTUARUBGOZZLQW-UHFFFAOYSA-N 0 0 208.236 2.357 50 0 BEAARN O=C(NCC1CC1)Nc1ccc2c(c1)CCO2 ZINC000000157641 182138853 /nfs/dbraw/zinc/13/88/53/182138853.db2.gz RTUJGASWUIYPDG-UHFFFAOYSA-N 0 0 232.283 2.153 50 0 BEAARN CCN(CC)C(=O)c1noc2c1C[C@@H](C)CC2 ZINC000009227139 373604929 /nfs/dbraw/zinc/60/49/29/373604929.db2.gz HWYXQUQWPGQXGR-VIFPVBQESA-N 0 0 236.315 2.281 50 0 BEAARN O=C(NCCC1CC1)NC1Cc2ccccc2C1 ZINC000097377409 182153359 /nfs/dbraw/zinc/15/33/59/182153359.db2.gz HHCFHPWUYQTVTO-UHFFFAOYSA-N 0 0 244.338 2.253 50 0 BEAARN O=C(CCn1ncc2ccccc21)N1CCCC1 ZINC000040757941 373687518 /nfs/dbraw/zinc/68/75/18/373687518.db2.gz MSBNHDANUGUARC-UHFFFAOYSA-N 0 0 243.310 2.049 50 0 BEAARN O=C(NCCCNc1cccc(F)c1)C1CC1 ZINC000097372818 182168344 /nfs/dbraw/zinc/16/83/44/182168344.db2.gz WJJHLIFTBFQXGA-UHFFFAOYSA-N 0 0 236.290 2.154 50 0 BEAARN CCCCNC(=O)NC1Cc2ccccc2C1 ZINC000004364870 168850005 /nfs/dbraw/zinc/85/00/05/168850005.db2.gz FRDHNITZMRHCLM-UHFFFAOYSA-N 0 0 232.327 2.253 50 0 BEAARN O=C(NCCc1ccc(F)cc1)c1ccncc1 ZINC000006305328 182203103 /nfs/dbraw/zinc/20/31/03/182203103.db2.gz WFBAUGSHWUIWJR-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccccc1F)c1ccoc1 ZINC000013023103 182204157 /nfs/dbraw/zinc/20/41/57/182204157.db2.gz BNIOWRXCIIJVBI-UHFFFAOYSA-N 0 0 233.242 2.391 50 0 BEAARN O=C(NCCc1ccoc1)c1cccs1 ZINC000090607369 182208727 /nfs/dbraw/zinc/20/87/27/182208727.db2.gz LZUUVHRWTGBJHF-UHFFFAOYSA-N 0 0 221.281 2.314 50 0 BEAARN O=C(NCCc1ccoc1)c1ccsc1 ZINC000090607370 182209031 /nfs/dbraw/zinc/20/90/31/182209031.db2.gz DLSLWNVGEGEVBX-UHFFFAOYSA-N 0 0 221.281 2.314 50 0 BEAARN O=C(NCCc1ccsc1)c1ccco1 ZINC000013698227 182210363 /nfs/dbraw/zinc/21/03/63/182210363.db2.gz FZBRJDDAFFEAGE-UHFFFAOYSA-N 0 0 221.281 2.314 50 0 BEAARN O=C(NC[C@@H](O)c1ccccc1)[C@@H]1CC=CCC1 ZINC000032845124 182221521 /nfs/dbraw/zinc/22/15/21/182221521.db2.gz IWEHXKKMCRZEBO-ZIAGYGMSSA-N 0 0 245.322 2.193 50 0 BEAARN O=C(NC[C@@H](O)c1ccccc1)C1CCCC1 ZINC000035108713 182222000 /nfs/dbraw/zinc/22/20/00/182222000.db2.gz AGVHLORPMNMHGC-CYBMUJFWSA-N 0 0 233.311 2.026 50 0 BEAARN Cc1nc(CCC(=O)N2CCCCC2)cs1 ZINC000041191285 374119164 /nfs/dbraw/zinc/11/91/64/374119164.db2.gz ILWKDKNFPIHVFA-UHFFFAOYSA-N 0 0 238.356 2.397 50 0 BEAARN O=C(NC[C@H](O)c1ccccc1)[C@@H]1CC=CCC1 ZINC000032845122 182234107 /nfs/dbraw/zinc/23/41/07/182234107.db2.gz IWEHXKKMCRZEBO-KGLIPLIRSA-N 0 0 245.322 2.193 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1cc2ccccc2o1 ZINC000006701991 182239140 /nfs/dbraw/zinc/23/91/40/182239140.db2.gz UNIWAZSGGDSGHO-LLVKDONJSA-N 0 0 245.278 2.342 50 0 BEAARN CCCn1c(=O)[nH]nc1SCc1ccccc1 ZINC000009479732 374138231 /nfs/dbraw/zinc/13/82/31/374138231.db2.gz KDDMJTNCZBDHCM-UHFFFAOYSA-N 0 0 249.339 2.274 50 0 BEAARN CCCCC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000009483425 374140247 /nfs/dbraw/zinc/14/02/47/374140247.db2.gz KPIGIKXUCUILKY-NSHDSACASA-N 0 0 238.331 2.189 50 0 BEAARN O=C(NC[C@H]1CC=CCC1)[C@H]1CC1(F)F ZINC000294770544 182235400 /nfs/dbraw/zinc/23/54/00/182235400.db2.gz QXBIPSVSCQQLKA-DTWKUNHWSA-N 0 0 215.243 2.114 50 0 BEAARN O=C(NCc1ccc[nH]1)c1cccs1 ZINC000041535849 182253137 /nfs/dbraw/zinc/25/31/37/182253137.db2.gz SHIVANNFTVUTHE-UHFFFAOYSA-N 0 0 206.270 2.006 50 0 BEAARN O=C(NCc1ccccc1)C1CC(F)(F)C1 ZINC000307360917 182255582 /nfs/dbraw/zinc/25/55/82/182255582.db2.gz GVAOPJKETQKYQJ-UHFFFAOYSA-N 0 0 225.238 2.348 50 0 BEAARN O=C(NCc1ccccc1)Nc1ccccn1 ZINC000003953377 182255640 /nfs/dbraw/zinc/25/56/40/182255640.db2.gz FLSPVKBFWGJXGH-UHFFFAOYSA-N 0 0 227.267 2.403 50 0 BEAARN Cc1c(C(=O)N(C)C2CCCCC2)cnn1C ZINC000041970747 374232462 /nfs/dbraw/zinc/23/24/62/374232462.db2.gz CNPRBMVAFIPGML-UHFFFAOYSA-N 0 0 235.331 2.133 50 0 BEAARN O=C(NCc1ccccc1)NCc1cccnc1 ZINC000012545037 182255799 /nfs/dbraw/zinc/25/57/99/182255799.db2.gz MRQMRGPCBQTQDN-UHFFFAOYSA-N 0 0 241.294 2.081 50 0 BEAARN O=C(NCc1ccccc1Cl)c1cnccn1 ZINC000002753910 182256543 /nfs/dbraw/zinc/25/65/43/182256543.db2.gz XJTBRRODSMDDRP-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN O=C(NCc1ccccc1)c1cccc(O)c1 ZINC000003278528 182256741 /nfs/dbraw/zinc/25/67/41/182256741.db2.gz CMTKGWDQXAODLW-UHFFFAOYSA-N 0 0 227.263 2.322 50 0 BEAARN O=C(NCc1ccccc1)c1cc(O)cc(O)c1 ZINC000004473154 182256961 /nfs/dbraw/zinc/25/69/61/182256961.db2.gz JRBTZVVRNZHCRH-UHFFFAOYSA-N 0 0 243.262 2.028 50 0 BEAARN O=C(NCc1ccccn1)c1ccc(F)cc1 ZINC000000029763 182260115 /nfs/dbraw/zinc/26/01/15/182260115.db2.gz BNIKYKAOGHAWCR-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1cccnc1)c1cc(F)cc(F)c1 ZINC000006923161 182261230 /nfs/dbraw/zinc/26/12/30/182261230.db2.gz FDXHCNAMUFBUJK-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccco1)c1ccsc1 ZINC000000157775 182262775 /nfs/dbraw/zinc/26/27/75/182262775.db2.gz UONIOEADQIXQMX-UHFFFAOYSA-N 0 0 207.254 2.271 50 0 BEAARN O=C(NCc1nccs1)c1cc(Cl)c[nH]1 ZINC000072271191 182274917 /nfs/dbraw/zinc/27/49/17/182274917.db2.gz NKRWQBUSVLWRIB-UHFFFAOYSA-N 0 0 241.703 2.055 50 0 BEAARN COC[C@@H](C)NC(=O)N(C)[C@H](C)C(C)(C)C ZINC000071798664 374292929 /nfs/dbraw/zinc/29/29/29/374292929.db2.gz VFIYYQPQQUKAOY-NXEZZACHSA-N 0 0 230.352 2.097 50 0 BEAARN CS[C@H](C)C(=O)N(C)Cc1ccsc1 ZINC000042850151 374293595 /nfs/dbraw/zinc/29/35/95/374293595.db2.gz KTUJZLHCMCTIJM-MRVPVSSYSA-N 0 0 229.370 2.458 50 0 BEAARN O=C(NCc1ccoc1)Nc1nccs1 ZINC000040540066 182266440 /nfs/dbraw/zinc/26/64/40/182266440.db2.gz VLSQHLFYAUNVDG-UHFFFAOYSA-N 0 0 223.257 2.058 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(C(=O)OC)cc1 ZINC000010454577 374308994 /nfs/dbraw/zinc/30/89/94/374308994.db2.gz CECRBQBLPXOMTO-SECBINFHSA-N 0 0 235.283 2.002 50 0 BEAARN O=C(N[C@@H]1CC(=O)c2sccc21)c1ccco1 ZINC000001386537 182290176 /nfs/dbraw/zinc/29/01/76/182290176.db2.gz ZZQYRIKPPYZHHC-MRVPVSSYSA-N 0 0 247.275 2.399 50 0 BEAARN Cn1nc(-c2ccoc2)nc1N1CCCCC1 ZINC000426420287 206047014 /nfs/dbraw/zinc/04/70/14/206047014.db2.gz WZTYNNQPFHROOL-UHFFFAOYSA-N 0 0 232.287 2.065 50 0 BEAARN O=C(N[C@@H]1CCC[C@@H](O)C1)OCc1ccccc1 ZINC000091304262 182297850 /nfs/dbraw/zinc/29/78/50/182297850.db2.gz FYIZIYCXUSGNLZ-CHWSQXEVSA-N 0 0 249.310 2.216 50 0 BEAARN O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCO1 ZINC000031036689 182287338 /nfs/dbraw/zinc/28/73/38/182287338.db2.gz OVPSWWHKGXDZRQ-KBPBESRZSA-N 0 0 245.322 2.433 50 0 BEAARN O=C(N[C@@H]1CCc2ccccc21)c1cccnc1 ZINC000013011507 182313488 /nfs/dbraw/zinc/31/34/88/182313488.db2.gz MNVFJLYUZJMWCD-CQSZACIVSA-N 0 0 238.290 2.499 50 0 BEAARN O=C(Nc1cc[nH]n1)[C@H]1Cc2ccccc2S1 ZINC000048798804 182351645 /nfs/dbraw/zinc/35/16/45/182351645.db2.gz SLTJJKCRAUKSHP-SNVBAGLBSA-N 0 0 245.307 2.065 50 0 BEAARN O=C(Nc1ccc(F)cc1)C(F)(F)F ZINC000001572856 182355335 /nfs/dbraw/zinc/35/53/35/182355335.db2.gz YTUKUMWAERJYPA-UHFFFAOYSA-N 0 0 207.126 2.327 50 0 BEAARN O=C(Nc1ccc(F)cc1)n1cccn1 ZINC000000401903 182357215 /nfs/dbraw/zinc/35/72/15/182357215.db2.gz HCIOVWJWPSBYIR-UHFFFAOYSA-N 0 0 205.192 2.102 50 0 BEAARN O=C(Nc1cc(-c2ccncc2)no1)C1CCC1 ZINC000065152639 182346614 /nfs/dbraw/zinc/34/66/14/182346614.db2.gz RZLSGDZJIDOTKA-UHFFFAOYSA-N 0 0 243.266 2.475 50 0 BEAARN O=C(Nc1ccc(F)cc1)[C@H](O)c1ccccc1 ZINC000032876661 182356763 /nfs/dbraw/zinc/35/67/63/182356763.db2.gz XWIRNNJTIJTHBA-CYBMUJFWSA-N 0 0 245.253 2.498 50 0 BEAARN O=C(Nc1cc(F)ccc1F)c1cnccn1 ZINC000005937177 182349483 /nfs/dbraw/zinc/34/94/83/182349483.db2.gz XEHAXRSKOVNRMD-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1cc(F)ccc1O)c1ccc[nH]1 ZINC000095976263 182349844 /nfs/dbraw/zinc/34/98/44/182349844.db2.gz ZLQWSNLOQZYHLR-UHFFFAOYSA-N 0 0 220.203 2.112 50 0 BEAARN O=C(Nc1cc(F)ccc1O)C1CC=CC1 ZINC000098018460 182350139 /nfs/dbraw/zinc/35/01/39/182350139.db2.gz TYXMFRGFPJBOSK-UHFFFAOYSA-N 0 0 221.231 2.436 50 0 BEAARN O=C(Nc1ccc(O)cc1)NC1CCCC1 ZINC000087312553 182359821 /nfs/dbraw/zinc/35/98/21/182359821.db2.gz JDODTQRHWSVTHZ-UHFFFAOYSA-N 0 0 220.272 2.456 50 0 BEAARN O=C(Nc1ccc2c[nH]nc2c1)c1cscn1 ZINC000041506862 182365914 /nfs/dbraw/zinc/36/59/14/182365914.db2.gz NPZOZOAQJMELQJ-UHFFFAOYSA-N 0 0 244.279 2.272 50 0 BEAARN O=C(Nc1ccccc1)NN1CCCCC1 ZINC000001602956 182375667 /nfs/dbraw/zinc/37/56/67/182375667.db2.gz BWQZEOQDPVLKDJ-UHFFFAOYSA-N 0 0 219.288 2.209 50 0 BEAARN O=C(Nc1ccccc1F)c1ccccn1 ZINC000008289222 182379001 /nfs/dbraw/zinc/37/90/01/182379001.db2.gz JUQOFSCVWHUZLH-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccccc1)N[C@H]1CCC[C@@H](O)C1 ZINC000075156800 182376148 /nfs/dbraw/zinc/37/61/48/182376148.db2.gz WDNXBNRDYJIYLR-NWDGAFQWSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCO1 ZINC000005771521 182378184 /nfs/dbraw/zinc/37/81/84/182378184.db2.gz UNNZPGJQMWZMHC-JTQLQIEISA-N 0 0 225.675 2.458 50 0 BEAARN O=C(Nc1cccc(O)c1)c1cccnc1 ZINC000000040557 182372392 /nfs/dbraw/zinc/37/23/92/182372392.db2.gz PULMAJZSPLRQKY-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1ccccc1F)C1CCOCC1 ZINC000024635590 182378905 /nfs/dbraw/zinc/37/89/05/182378905.db2.gz JUKWMIBRWCJOTH-UHFFFAOYSA-N 0 0 223.247 2.191 50 0 BEAARN O=C(Nc1ccccc1Cl)c1ccc(=O)[nH]n1 ZINC000000535760 182378907 /nfs/dbraw/zinc/37/89/07/182378907.db2.gz FNSAPPHWJBMVBE-UHFFFAOYSA-N 0 0 249.657 2.088 50 0 BEAARN O=C(Nc1ccon1)[C@H]1C[C@@H]1c1ccccc1 ZINC000028226093 182389046 /nfs/dbraw/zinc/38/90/46/182389046.db2.gz OKPSZZHRDPVFOW-MNOVXSKESA-N 0 0 228.251 2.417 50 0 BEAARN O=C(Nc1ccccc1O)c1ccoc1 ZINC000022024283 182380092 /nfs/dbraw/zinc/38/00/92/182380092.db2.gz ZPNQBVZLNASBTA-UHFFFAOYSA-N 0 0 203.197 2.238 50 0 BEAARN O=C(Nc1ccccn1)NC1CC(F)(F)C1 ZINC000277396933 182382051 /nfs/dbraw/zinc/38/20/51/182382051.db2.gz DTADNWUASPMPMB-UHFFFAOYSA-N 0 0 227.214 2.001 50 0 BEAARN O=C(Nc1ccccn1)c1ccccc1F ZINC000000347176 182383004 /nfs/dbraw/zinc/38/30/04/182383004.db2.gz IJJJNANXLBDKDV-UHFFFAOYSA-N 0 0 216.215 2.473 50 0 BEAARN O=C(Nc1ccncc1)OCC(F)(F)F ZINC000038342213 182386975 /nfs/dbraw/zinc/38/69/75/182386975.db2.gz QBKKWJBKQQNTFD-UHFFFAOYSA-N 0 0 220.150 2.192 50 0 BEAARN O=C(Nc1ccncc1)c1cccs1 ZINC000000039254 182387335 /nfs/dbraw/zinc/38/73/35/182387335.db2.gz RKADCAQUGVEIJY-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 BEAARN O=C(Nc1nc2ccccc2[nH]1)c1ccoc1 ZINC000012535043 182398330 /nfs/dbraw/zinc/39/83/30/182398330.db2.gz JGTTZZJROPWBBC-UHFFFAOYSA-N 0 0 227.223 2.408 50 0 BEAARN O=C(Nc1nc2c(s1)CCC2)c1cccnc1 ZINC000025768001 182398487 /nfs/dbraw/zinc/39/84/87/182398487.db2.gz KOMCCWDFZPVBQQ-UHFFFAOYSA-N 0 0 245.307 2.279 50 0 BEAARN O=C(Nc1nncs1)C1CCCCC1 ZINC000000401803 182405012 /nfs/dbraw/zinc/40/50/12/182405012.db2.gz DDEWEFIIQZZUHJ-UHFFFAOYSA-N 0 0 211.290 2.057 50 0 BEAARN O=C(Nc1cncc(F)c1)[C@H]1CCCS1 ZINC000281380976 182393463 /nfs/dbraw/zinc/39/34/63/182393463.db2.gz NSVUEDIIZSUJDZ-SECBINFHSA-N 0 0 226.276 2.055 50 0 BEAARN O=C(Nc1nnc(C2CCC2)[nH]1)[C@H]1CC=CCC1 ZINC000097376660 182396850 /nfs/dbraw/zinc/39/68/50/182396850.db2.gz DGZHQZSHZRMEFS-JTQLQIEISA-N 0 0 246.314 2.367 50 0 BEAARN O=C(Nc1noc2ccccc21)C1CC1 ZINC000012249934 182406475 /nfs/dbraw/zinc/40/64/75/182406475.db2.gz JOFYSAFELCZLSL-UHFFFAOYSA-N 0 0 202.213 2.176 50 0 BEAARN O=C([O-])CC[NH+]1CCC(c2ccccc2)CC1 ZINC000020417280 182444940 /nfs/dbraw/zinc/44/49/40/182444940.db2.gz FSFBEIXCOOOWIU-UHFFFAOYSA-N 0 0 233.311 2.341 50 0 BEAARN CCOC(=O)CCn1nc(C)c(Cl)c1C ZINC000012395767 170212511 /nfs/dbraw/zinc/21/25/11/170212511.db2.gz XNETWGOOMRRFSD-UHFFFAOYSA-N 0 0 230.695 2.107 50 0 BEAARN O=C(Oc1ccc(Cl)cc1)N1CCOCC1 ZINC000000325101 182609385 /nfs/dbraw/zinc/60/93/85/182609385.db2.gz ZQDIQOWSBXBLGH-UHFFFAOYSA-N 0 0 241.674 2.171 50 0 BEAARN O=C(c1c[nH]c2ccccc12)n1ccnc1 ZINC000039169502 182647188 /nfs/dbraw/zinc/64/71/88/182647188.db2.gz SCCOEDPYQZHULK-UHFFFAOYSA-N 0 0 211.224 2.053 50 0 BEAARN O=C(c1cc(C2CC2)on1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000089764794 182648718 /nfs/dbraw/zinc/64/87/18/182648718.db2.gz UOLJWEZUSWHMQY-PHIMTYICSA-N 0 0 246.310 2.424 50 0 BEAARN O=C(c1ccccc1)c1ccc(F)cn1 ZINC000086704485 182678043 /nfs/dbraw/zinc/67/80/43/182678043.db2.gz MRDQDXRJYMTEFZ-UHFFFAOYSA-N 0 0 201.200 2.452 50 0 BEAARN O=C(c1ccccc1)n1c(=O)oc2ccccc21 ZINC000000058206 182679197 /nfs/dbraw/zinc/67/91/97/182679197.db2.gz KPUSLZMWKHIWAW-UHFFFAOYSA-N 0 0 239.230 2.283 50 0 BEAARN O=C(c1cccnc1)N1CCCCCCC1 ZINC000005864339 182683300 /nfs/dbraw/zinc/68/33/00/182683300.db2.gz WGALFFGFKVLJLN-UHFFFAOYSA-N 0 0 218.300 2.488 50 0 BEAARN O=C(c1cscn1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089764755 182705555 /nfs/dbraw/zinc/70/55/55/182705555.db2.gz XBUZOZRFQBSRQR-UWVGGRQHSA-N 0 0 236.340 2.405 50 0 BEAARN O=C(c1cscn1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089764754 182705595 /nfs/dbraw/zinc/70/55/95/182705595.db2.gz XBUZOZRFQBSRQR-NXEZZACHSA-N 0 0 236.340 2.405 50 0 BEAARN O=C1COc2ccccc2CN1Cc1ccco1 ZINC000065184347 182770272 /nfs/dbraw/zinc/77/02/72/182770272.db2.gz GGVASNFNSZOOSH-UHFFFAOYSA-N 0 0 243.262 2.201 50 0 BEAARN O=c1[nH]c(Nc2ccccc2O)cs1 ZINC000012408857 182789945 /nfs/dbraw/zinc/78/99/45/182789945.db2.gz GVPYEOBFNFOPEE-UHFFFAOYSA-N 0 0 208.242 2.069 50 0 BEAARN O=C1C[C@H]2CC[C@@H](C1)N2c1ccccc1 ZINC000016999632 182779016 /nfs/dbraw/zinc/77/90/16/182779016.db2.gz PCEVDKVFKSUXFX-TXEJJXNPSA-N 0 0 201.269 2.387 50 0 BEAARN O=C1NCCCc2nc(C3CCCCC3)[nH]c21 ZINC000065382114 182802834 /nfs/dbraw/zinc/80/28/34/182802834.db2.gz DAXOHOKDEZGSIF-UHFFFAOYSA-N 0 0 233.315 2.133 50 0 BEAARN O=C1c2ccccc2CC12CCOCC2 ZINC000225745789 182845627 /nfs/dbraw/zinc/84/56/27/182845627.db2.gz GPXNSSLWABAIMP-UHFFFAOYSA-N 0 0 202.253 2.222 50 0 BEAARN O=C1c2ccccc2[C@H](O)N1Cc1ccccc1 ZINC000000251861 182846944 /nfs/dbraw/zinc/84/69/44/182846944.db2.gz XEFXQIBENKOFCP-AWEZNQCLSA-N 0 0 239.274 2.334 50 0 BEAARN O=Cc1cnc(-c2cccc(F)c2)nc1 ZINC000035323351 182874376 /nfs/dbraw/zinc/87/43/76/182874376.db2.gz VMNDUQCZSNNRMW-UHFFFAOYSA-N 0 0 202.188 2.095 50 0 BEAARN O=S(=O)(c1ccccc1)N1C=CC=CC=C1 ZINC000001711492 182904604 /nfs/dbraw/zinc/90/46/04/182904604.db2.gz NPNLBXIUSDMNFH-UHFFFAOYSA-N 0 0 233.292 2.275 50 0 BEAARN O=S1(=O)C=C[C@H](Nc2cccc(Cl)c2)C1 ZINC000004195844 182906564 /nfs/dbraw/zinc/90/65/64/182906564.db2.gz UGUVUDMRBPYWNO-JTQLQIEISA-N 0 0 243.715 2.063 50 0 BEAARN O=[P@@]1(Nc2ccccn2)COc2ccccc21 ZINC000004709174 182961869 /nfs/dbraw/zinc/96/18/69/182961869.db2.gz OIBTWZDHYIKOCR-KRWDZBQOSA-N 0 0 246.206 2.447 50 0 BEAARN O=c1[nH]c(-c2cccnc2)nc2ccc(F)cc21 ZINC000038590733 182969589 /nfs/dbraw/zinc/96/95/89/182969589.db2.gz NHTFMSYUFPAHBT-UHFFFAOYSA-N 0 0 241.225 2.124 50 0 BEAARN O=c1[nH]c2cc(F)c(Br)cc2o1 ZINC000071481992 182973351 /nfs/dbraw/zinc/97/33/51/182973351.db2.gz FVCBRNQTYMAPPS-UHFFFAOYSA-N 0 0 232.008 2.023 50 0 BEAARN O=c1c2ccoc2ccn1CCCCCCO ZINC000095447077 182990569 /nfs/dbraw/zinc/99/05/69/182990569.db2.gz UNUHDRJZMZVERP-UHFFFAOYSA-N 0 0 235.283 2.147 50 0 BEAARN O=c1ccc2ccc(Br)cc2[nH]1 ZINC000034251176 183001134 /nfs/dbraw/zinc/00/11/34/183001134.db2.gz QOFKBVYWLUKWLL-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN O=c1ccccn1Cc1ccc2c(c1)CCC2 ZINC000098010222 183002647 /nfs/dbraw/zinc/00/26/47/183002647.db2.gz VTBAPPURTIGAGJ-UHFFFAOYSA-N 0 0 225.291 2.385 50 0 BEAARN O=c1ccnc(SCc2cccc(F)c2)[nH]1 ZINC000000984111 183005040 /nfs/dbraw/zinc/00/50/40/183005040.db2.gz FFZATPGRRFYYNG-UHFFFAOYSA-N 0 0 236.271 2.201 50 0 BEAARN O=c1ccnc(SCCC(F)=C(F)F)[nH]1 ZINC000013597463 183005190 /nfs/dbraw/zinc/00/51/90/183005190.db2.gz IBWHQGGCJZFUKJ-UHFFFAOYSA-N 0 0 236.218 2.330 50 0 BEAARN O=c1ccnc(NCc2ccc(Cl)cc2)[nH]1 ZINC000004368102 183005806 /nfs/dbraw/zinc/00/58/06/183005806.db2.gz ISPZYELVBXRARH-UHFFFAOYSA-N 0 0 235.674 2.035 50 0 BEAARN O=c1nncc(Nc2ccc3ccccc3c2)[nH]1 ZINC000011991005 183010278 /nfs/dbraw/zinc/01/02/78/183010278.db2.gz CFRQWNVMPRCDNO-UHFFFAOYSA-N 0 0 238.250 2.062 50 0 BEAARN O=c1oc(-c2ccco2)nn1[C@@H]1C=CCCC1 ZINC000076610149 183011172 /nfs/dbraw/zinc/01/11/72/183011172.db2.gz PGCZEDDCPSCVMB-SECBINFHSA-N 0 0 232.239 2.378 50 0 BEAARN OC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000047874155 183030380 /nfs/dbraw/zinc/03/03/80/183030380.db2.gz ADODLVCBBMGFQC-UHFFFAOYSA-N 0 0 248.351 2.253 50 0 BEAARN OCCCCCNc1ncnc2ccccc21 ZINC000001912272 183048578 /nfs/dbraw/zinc/04/85/78/183048578.db2.gz ZNUMZLAJNULFGL-UHFFFAOYSA-N 0 0 231.299 2.204 50 0 BEAARN OCCOc1c(Cl)cccc1Cl ZINC000002163747 183087792 /nfs/dbraw/zinc/08/77/92/183087792.db2.gz HHKVIHAANGGFHP-UHFFFAOYSA-N 0 0 207.056 2.365 50 0 BEAARN OCC[C@@H](NCC(F)(F)F)c1ccccc1 ZINC000096490931 183089441 /nfs/dbraw/zinc/08/94/41/183089441.db2.gz FTZHVDMTIAEKKT-SNVBAGLBSA-N 0 0 233.233 2.262 50 0 BEAARN OCCSc1ncnc2c3ccccc3oc21 ZINC000002435732 183089509 /nfs/dbraw/zinc/08/95/09/183089509.db2.gz UAJDCIINZLHZAE-UHFFFAOYSA-N 0 0 246.291 2.460 50 0 BEAARN OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000000217681 183117197 /nfs/dbraw/zinc/11/71/97/183117197.db2.gz PTWVMZJVTUNJRO-SNVBAGLBSA-N 0 0 241.281 2.169 50 0 BEAARN OCCn1ccc(-c2ccc3c(c2)CCC3)n1 ZINC000001399504 183103475 /nfs/dbraw/zinc/10/34/75/183103475.db2.gz XLFLIMURNXGLSL-UHFFFAOYSA-N 0 0 228.295 2.031 50 0 BEAARN OC[C@@H](O)CN(c1ccccc1)c1ccccc1 ZINC000000289983 183110834 /nfs/dbraw/zinc/11/08/34/183110834.db2.gz QXJMTHSWSAMWTP-HNNXBMFYSA-N 0 0 243.306 2.178 50 0 BEAARN OC[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000011892863 183125003 /nfs/dbraw/zinc/12/50/03/183125003.db2.gz KVSFIGCLPJFPCQ-SECBINFHSA-N 0 0 211.692 2.159 50 0 BEAARN CCCCN1C(=S)N=NC1[C@H](CC)N(C)C ZINC000020267842 169035163 /nfs/dbraw/zinc/03/51/63/169035163.db2.gz BBXXCLXQSSWSIT-VIFPVBQESA-N 0 0 242.392 2.380 50 0 BEAARN OC[C@H]1CCCN1Cc1ccc(Cl)c(F)c1 ZINC000092471087 183150526 /nfs/dbraw/zinc/15/05/26/183150526.db2.gz WUTVJIOVDCYSAR-SNVBAGLBSA-N 0 0 243.709 2.436 50 0 BEAARN OCc1ccc(F)cc1OC(F)(F)F ZINC000091251978 183165058 /nfs/dbraw/zinc/16/50/58/183165058.db2.gz QTZPHLXETXULFE-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN CCCCn1nnnc1NCc1ccc(C)cc1 ZINC000002181847 169041455 /nfs/dbraw/zinc/04/14/55/169041455.db2.gz BBDKKQWZXOYWQU-UHFFFAOYSA-N 0 0 245.330 2.394 50 0 BEAARN OCc1c(Cl)cccc1N1CCCC1 ZINC000034956760 183160237 /nfs/dbraw/zinc/16/02/37/183160237.db2.gz AKVQSNMSTBJAPG-UHFFFAOYSA-N 0 0 211.692 2.433 50 0 BEAARN OCc1cc(Cl)ccc1OC(F)F ZINC000036895041 183162054 /nfs/dbraw/zinc/16/20/54/183162054.db2.gz WRCKBMKBPHCJSS-UHFFFAOYSA-N 0 0 208.591 2.434 50 0 BEAARN OCc1ccc(C(F)(F)F)nc1Cl ZINC000067802430 183163571 /nfs/dbraw/zinc/16/35/71/183163571.db2.gz WWVOQPNHXXAYKT-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN O[C@@H](CNc1ncccn1)c1cccc(Cl)c1 ZINC000040520241 183182241 /nfs/dbraw/zinc/18/22/41/183182241.db2.gz LKSDAWYDKJKAMX-NSHDSACASA-N 0 0 249.701 2.276 50 0 BEAARN O[C@H](Cc1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000018097732 183183139 /nfs/dbraw/zinc/18/31/39/183183139.db2.gz JCMRRROPOPSQLE-IYBDPMFKSA-N 0 0 242.318 2.194 50 0 BEAARN O[C@@H](COc1cccnc1)c1ccccc1 ZINC000068983491 183183766 /nfs/dbraw/zinc/18/37/66/183183766.db2.gz OJRLUBRYTSGAMD-ZDUSSCGKSA-N 0 0 215.252 2.194 50 0 BEAARN O[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000034351292 183184578 /nfs/dbraw/zinc/18/45/78/183184578.db2.gz DBDSGGHRDPUUID-LBPRGKRZSA-N 0 0 203.216 2.302 50 0 BEAARN OCc1ccc(OCc2ccccc2)nc1 ZINC000040882716 183166378 /nfs/dbraw/zinc/16/63/78/183166378.db2.gz YPIZJUMKFXIJQH-UHFFFAOYSA-N 0 0 215.252 2.153 50 0 BEAARN OCc1ccc2c(n1)CO[C@@H](c1ccccc1)O2 ZINC000004773981 183167424 /nfs/dbraw/zinc/16/74/24/183167424.db2.gz IITZDXYDSIJEFR-CQSZACIVSA-N 0 0 243.262 2.182 50 0 BEAARN OCc1cnc(CCc2ccccc2)s1 ZINC000083943085 183169282 /nfs/dbraw/zinc/16/92/82/183169282.db2.gz JEZILXVEVPNABC-UHFFFAOYSA-N 0 0 219.309 2.421 50 0 BEAARN OCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000047844015 183169643 /nfs/dbraw/zinc/16/96/43/183169643.db2.gz UQMZXSKGXBNAJE-UHFFFAOYSA-N 0 0 217.055 2.133 50 0 BEAARN OCc1nc(-c2ccc(F)cc2)cs1 ZINC000045206552 183170031 /nfs/dbraw/zinc/17/00/31/183170031.db2.gz SDZNQPGOGCLEII-UHFFFAOYSA-N 0 0 209.245 2.442 50 0 BEAARN OCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000011735014 183170222 /nfs/dbraw/zinc/17/02/22/183170222.db2.gz GOUGSJWBRLTBDO-UHFFFAOYSA-N 0 0 217.055 2.362 50 0 in-vitro BEAARN O[C@@H]1CCc2cc(Br)ccc2C1 ZINC000038392532 183206030 /nfs/dbraw/zinc/20/60/30/183206030.db2.gz GFAONWSTEKWMAV-SNVBAGLBSA-N 0 0 227.101 2.299 50 0 BEAARN O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000037464707 183186202 /nfs/dbraw/zinc/18/62/02/183186202.db2.gz SWWDFRDACYVBNF-LBPRGKRZSA-N 0 0 203.216 2.302 50 0 BEAARN O[C@@H](c1ccncc1)C(Cl)(Cl)Cl ZINC000000494995 183186761 /nfs/dbraw/zinc/18/67/61/183186761.db2.gz ILMARCBLNBUSEP-LURJTMIESA-N 0 0 226.490 2.485 50 0 BEAARN O[C@@H]1C(Br)=C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]21 ZINC000043763102 183187212 /nfs/dbraw/zinc/18/72/12/183187212.db2.gz RHISLOQPABJYQQ-GKVHRYEBSA-N 0 0 227.101 2.078 50 0 BEAARN O[C@@H]1/C(=C/c2cccc(F)c2)N2CCC1CC2 ZINC000012416590 183187228 /nfs/dbraw/zinc/18/72/28/183187228.db2.gz QJGWSGNYGCJUDX-XXYUJHKVSA-N 0 0 233.286 2.253 50 0 BEAARN O[C@H](CNc1ncccn1)c1cccc(Cl)c1 ZINC000040520238 183225888 /nfs/dbraw/zinc/22/58/88/183225888.db2.gz LKSDAWYDKJKAMX-LLVKDONJSA-N 0 0 249.701 2.276 50 0 BEAARN O[C@H](COc1cccnc1)c1ccccc1 ZINC000068983490 183227497 /nfs/dbraw/zinc/22/74/97/183227497.db2.gz OJRLUBRYTSGAMD-CYBMUJFWSA-N 0 0 215.252 2.194 50 0 BEAARN O[C@H](c1ccncc1)C(Cl)(Cl)Cl ZINC000000494996 183230568 /nfs/dbraw/zinc/23/05/68/183230568.db2.gz ILMARCBLNBUSEP-ZCFIWIBFSA-N 0 0 226.490 2.485 50 0 BEAARN O[C@@H]1C[C@H](C(F)(F)F)Oc2ccccc21 ZINC000006658011 183211503 /nfs/dbraw/zinc/21/15/03/183211503.db2.gz ZEOOCEWBCFKVAA-VXNVDRBHSA-N 0 0 218.174 2.433 50 0 BEAARN O[C@H]1CCOc2ccc(Br)cc21 ZINC000033495010 183240854 /nfs/dbraw/zinc/24/08/54/183240854.db2.gz AUBCSGZQJXSWGV-QMMMGPOBSA-N 0 0 229.073 2.265 50 0 BEAARN O=c1c2ccccc2[nH]c2c1CCCO2 ZINC000000207600 183254151 /nfs/dbraw/zinc/25/41/51/183254151.db2.gz KRLBJHGJHHCUBF-UHFFFAOYSA-N 0 0 201.225 2.265 50 0 BEAARN O[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000195575439 183236625 /nfs/dbraw/zinc/23/66/25/183236625.db2.gz MSPGIRCKQCTJCV-IUCAKERBSA-N 0 0 246.232 2.426 50 0 BEAARN CCCN(CC(F)F)C(=O)N[C@H]1C[C@H]1C ZINC000071799473 169107383 /nfs/dbraw/zinc/10/73/83/169107383.db2.gz JFYPROAWMPWVIG-SFYZADRCSA-N 0 0 220.263 2.082 50 0 BEAARN O[C@H]1CCC[C@@H]1Nc1cccc(C(F)(F)F)n1 ZINC000097104629 183237017 /nfs/dbraw/zinc/23/70/17/183237017.db2.gz FTIWTPOIIIKYGM-YUMQZZPRSA-N 0 0 246.232 2.426 50 0 BEAARN CCCN(CC(F)F)C(=O)N[C@@H]1C[C@H]1C ZINC000071799472 169107526 /nfs/dbraw/zinc/10/75/26/169107526.db2.gz JFYPROAWMPWVIG-HTQZYQBOSA-N 0 0 220.263 2.082 50 0 BEAARN Oc1ccc(-c2cnn3cccnc23)cc1 ZINC000067446584 183264596 /nfs/dbraw/zinc/26/45/96/183264596.db2.gz RILMOLPAVZATAT-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN Oc1ccc(-c2ncnc3[nH]ccc32)cc1 ZINC000065382910 183265469 /nfs/dbraw/zinc/26/54/69/183265469.db2.gz WZFCEONUAGKQPH-UHFFFAOYSA-N 0 0 211.224 2.331 50 0 BEAARN CCCN(CCC)c1cc(Cl)nc(N)n1 ZINC000001398037 169152517 /nfs/dbraw/zinc/15/25/17/169152517.db2.gz CZDMBWALBCIKFR-UHFFFAOYSA-N 0 0 228.727 2.339 50 0 BEAARN Oc1ccc(Cn2cc[nH]c2=S)cc1 ZINC000002568051 183273544 /nfs/dbraw/zinc/27/35/44/183273544.db2.gz WVWZHFJGVDNBDA-UHFFFAOYSA-N 0 0 206.270 2.300 50 0 BEAARN Oc1ccc2[nH]nc(Br)c2c1 ZINC000014983646 183277885 /nfs/dbraw/zinc/27/78/85/183277885.db2.gz UAMJVZRQBOYAKH-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN Oc1ccc2[nH]c(-c3cscn3)nc2c1 ZINC000002521490 183277920 /nfs/dbraw/zinc/27/79/20/183277920.db2.gz VNENJHUOPQAPAT-UHFFFAOYSA-N 0 0 217.253 2.392 50 0 in-vitro BEAARN O=c1[nH]nc2c3cccc(Cl)c3[nH]cc1-2 ZINC000014988531 183306482 /nfs/dbraw/zinc/30/64/82/183306482.db2.gz RHLWIZVNNDOKQV-UHFFFAOYSA-N 0 0 219.631 2.470 50 0 BEAARN O=c1[nH][nH]c2cccc(Br)c12 ZINC000014983456 183306501 /nfs/dbraw/zinc/30/65/01/183306501.db2.gz AOSWBTIWUXRHRT-UHFFFAOYSA-N 0 0 213.034 2.031 50 0 BEAARN O=c1[nH][nH]c2c1cnc1c(F)cc(F)cc21 ZINC000000166588 183306575 /nfs/dbraw/zinc/30/65/75/183306575.db2.gz CRWQCOYJUMLOHX-UHFFFAOYSA-N 0 0 221.166 2.095 50 0 BEAARN Oc1ccccc1C(=S)N1CCCC1 ZINC000013130318 183299895 /nfs/dbraw/zinc/29/98/95/183299895.db2.gz QIKLOVZAPGSYNO-UHFFFAOYSA-N 0 0 207.298 2.164 50 0 in-vitro BEAARN S=c1nc2ccc3[nH]s[nH]c3c2n1 ZINC000000246374 183313450 /nfs/dbraw/zinc/31/34/50/183313450.db2.gz YLMLEQDRMOMGRM-UHFFFAOYSA-N 0 0 208.271 2.230 50 0 BEAARN S=c1[nH]cccc1Nc1ncccn1 ZINC000039235298 183314683 /nfs/dbraw/zinc/31/46/83/183314683.db2.gz HZHHKQSJUJRKLR-UHFFFAOYSA-N 0 0 204.258 2.278 50 0 BEAARN [O-][n+]1ccccc1SC1=COCCC1 ZINC000001443680 183318281 /nfs/dbraw/zinc/31/82/81/183318281.db2.gz YZOYLSSBAQLSSS-UHFFFAOYSA-N 0 0 209.270 2.064 50 0 BEAARN [O-][n+]1ccccc1-c1nc(-c2cccs2)no1 ZINC000019773948 183318555 /nfs/dbraw/zinc/31/85/55/183318555.db2.gz DCDMPJZXIALXNF-UHFFFAOYSA-N 0 0 245.263 2.099 50 0 BEAARN [O-][n+]1cccc2cc(Br)ccc21 ZINC000001622216 183319264 /nfs/dbraw/zinc/31/92/64/183319264.db2.gz PSZUKCUBGTVVPJ-UHFFFAOYSA-N 0 0 224.057 2.236 50 0 BEAARN c1cc(-c2nnc3n2CCCCS3)ccn1 ZINC000010312576 183332502 /nfs/dbraw/zinc/33/25/02/183332502.db2.gz KTQZOIVSEDODRY-UHFFFAOYSA-N 0 0 232.312 2.226 50 0 BEAARN O=c1[nH]c(C2CCOCC2)nc2ccccc21 ZINC000240225397 183308415 /nfs/dbraw/zinc/30/84/15/183308415.db2.gz DHONEDVWCGLAKM-UHFFFAOYSA-N 0 0 230.267 2.229 50 0 BEAARN O=C1N=NC(c2ccc(Br)cc2)O1 ZINC000009583292 183309505 /nfs/dbraw/zinc/30/95/05/183309505.db2.gz BRZXIHOUCCMSGR-UHFFFAOYSA-N 0 0 241.044 2.205 50 0 BEAARN O=C1N=NC(c2ccc(Cl)cc2F)O1 ZINC000070030662 183309549 /nfs/dbraw/zinc/30/95/49/183309549.db2.gz WGUBEIDBGZJJNX-UHFFFAOYSA-N 0 0 214.583 2.235 50 0 BEAARN S=C(NCc1ccccc1Cl)NC1CC1 ZINC000006332822 183311087 /nfs/dbraw/zinc/31/10/87/183311087.db2.gz RFPOKBCNFMEERW-UHFFFAOYSA-N 0 0 240.759 2.467 50 0 BEAARN S=C(NC1CC1)N1CCc2ccccc21 ZINC000006332497 183311171 /nfs/dbraw/zinc/31/11/71/183311171.db2.gz CZKRUSVRLIEDPF-UHFFFAOYSA-N 0 0 218.325 2.086 50 0 BEAARN S=C(NC[C@@H]1CCCO1)Nc1ccccc1 ZINC000000257999 183311220 /nfs/dbraw/zinc/31/12/20/183311220.db2.gz CMTZABANHATOHB-NSHDSACASA-N 0 0 236.340 2.152 50 0 BEAARN S=C(Nc1ccccn1)Nc1ccccn1 ZINC000000084649 183312680 /nfs/dbraw/zinc/31/26/80/183312680.db2.gz VADXORVZZWERFF-UHFFFAOYSA-N 0 0 230.296 2.286 50 0 BEAARN S=C(c1ccc2c(c1)OCO2)N1CCCC1 ZINC000000615549 183312924 /nfs/dbraw/zinc/31/29/24/183312924.db2.gz BOLBNMRPPRJILI-UHFFFAOYSA-N 0 0 235.308 2.187 50 0 BEAARN CCCNC(=O)/C=C/c1ccc(F)cc1 ZINC000005468512 169212439 /nfs/dbraw/zinc/21/24/39/169212439.db2.gz LGLBBQPSBYTHEO-VMPITWQZSA-N 0 0 207.248 2.365 50 0 BEAARN c1nc2n(c1-c1ccc3c(c1)OCCO3)CCC2 ZINC000004005199 183366368 /nfs/dbraw/zinc/36/63/68/183366368.db2.gz KTMZVNFEULYZQH-UHFFFAOYSA-N 0 0 242.278 2.268 50 0 BEAARN c1ccc(-c2nnc3n2CCS3)cc1 ZINC000010312534 183384429 /nfs/dbraw/zinc/38/44/29/183384429.db2.gz OXQAXXRYPHYMSR-UHFFFAOYSA-N 0 0 203.270 2.051 50 0 BEAARN c1ccc(-c2nnnn2-c2ccccc2)cc1 ZINC000000440028 183384751 /nfs/dbraw/zinc/38/47/51/183384751.db2.gz FCERNNLMTCOKHX-UHFFFAOYSA-N 0 0 222.251 2.329 50 0 BEAARN CCCNC(=O)c1cc2ccccc2[nH]1 ZINC000020904065 169250739 /nfs/dbraw/zinc/25/07/39/169250739.db2.gz XSYTWAIMBQTTAN-UHFFFAOYSA-N 0 0 202.257 2.308 50 0 BEAARN CCCNC(=O)c1ccccc1NC(=O)C1CC1 ZINC000014009846 169252430 /nfs/dbraw/zinc/25/24/30/169252430.db2.gz YUNHGJFYPWWFRJ-UHFFFAOYSA-N 0 0 246.310 2.175 50 0 BEAARN CCCOC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000002499131 169300260 /nfs/dbraw/zinc/30/02/60/169300260.db2.gz WYROQEDHOFCDPQ-UHFFFAOYSA-N 0 0 235.283 2.409 50 0 BEAARN CCCOC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000008582698 169300520 /nfs/dbraw/zinc/30/05/20/169300520.db2.gz FPPDXHVBLMXLFC-UHFFFAOYSA-N 0 0 231.251 2.095 50 0 BEAARN CCCOCCOc1ccc(N)c(C)c1 ZINC000014630801 169309863 /nfs/dbraw/zinc/30/98/63/169309863.db2.gz KDAXEFXQOPUQHI-UHFFFAOYSA-N 0 0 209.289 2.383 50 0 BEAARN CCCOc1cc(N)c(N)cc1Br ZINC000095494812 169315425 /nfs/dbraw/zinc/31/54/25/169315425.db2.gz NBBPODDEQUBVOR-UHFFFAOYSA-N 0 0 245.120 2.402 50 0 BEAARN CCCOc1ccc(C(=O)NCC)cc1 ZINC000006324278 169316920 /nfs/dbraw/zinc/31/69/20/169316920.db2.gz AGTSKQCFQIEJGA-UHFFFAOYSA-N 0 0 207.273 2.225 50 0 BEAARN CCCSc1nnc2nc(C)cc(C)n21 ZINC000003653496 169341958 /nfs/dbraw/zinc/34/19/58/169341958.db2.gz KCHAHDARUHXGKR-UHFFFAOYSA-N 0 0 222.317 2.243 50 0 BEAARN CCCSc1nc2nc(C)cc(C)n2n1 ZINC000002182110 169342176 /nfs/dbraw/zinc/34/21/76/169342176.db2.gz CVMHSASTUPISRA-UHFFFAOYSA-N 0 0 222.317 2.243 50 0 BEAARN CCCSc1nc(N)cc(Cl)n1 ZINC000071774226 169342364 /nfs/dbraw/zinc/34/23/64/169342364.db2.gz SWXUAMIQLHFIBT-UHFFFAOYSA-N 0 0 203.698 2.214 50 0 BEAARN CCC[C@@H](C)NC(=O)COc1ccccc1 ZINC000002831834 169367910 /nfs/dbraw/zinc/36/79/10/169367910.db2.gz ADJRZWSPFYESOJ-LLVKDONJSA-N 0 0 221.300 2.370 50 0 BEAARN CCC[C@@H](C)NC(=O)c1c(C)noc1C ZINC000013330505 169368476 /nfs/dbraw/zinc/36/84/76/169368476.db2.gz KJSRVVPEWPZLMZ-SSDOTTSWSA-N 0 0 210.277 2.210 50 0 BEAARN CCC[C@@H](C)C(=O)Nc1nnc(C)s1 ZINC000000456595 169354166 /nfs/dbraw/zinc/35/41/66/169354166.db2.gz HJJDYRVXXRPPRD-ZCFIWIBFSA-N 0 0 213.306 2.221 50 0 BEAARN c1sc(-c2cnccn2)nc1C1CCOCC1 ZINC000092196892 183477724 /nfs/dbraw/zinc/47/77/24/183477724.db2.gz KNMLIKGJSZZZAG-UHFFFAOYSA-N 0 0 247.323 2.494 50 0 BEAARN c1cnc(N2C[C@@H]3CCCC[C@H]3C2)cn1 ZINC000096455872 183480717 /nfs/dbraw/zinc/48/07/17/183480717.db2.gz POMAOTUOQLFIFH-QWRGUYRKSA-N 0 0 203.289 2.103 50 0 BEAARN c1ccc2c3nc(-c4cccnc4)nn3cnc2c1 ZINC000071282870 183489368 /nfs/dbraw/zinc/48/93/68/183489368.db2.gz UMEJEWQYMSXBHP-UHFFFAOYSA-N 0 0 247.261 2.340 50 0 BEAARN c1nnc(SC[C@H]2CCCCO2)n1C1CC1 ZINC000040485834 183552352 /nfs/dbraw/zinc/55/23/52/183552352.db2.gz OWJUPVGGZHFYGV-SNVBAGLBSA-N 0 0 239.344 2.274 50 0 BEAARN CCOCCC(=O)N1c2ccccc2OC[C@H]1C ZINC000072532192 535453260 /nfs/dbraw/zinc/45/32/60/535453260.db2.gz BMBKMIPPLJFUPR-LLVKDONJSA-N 0 0 249.310 2.227 50 0 BEAARN CCC[C@H](C)CC(=O)OCc1cnns1 ZINC000095461479 169479515 /nfs/dbraw/zinc/47/95/15/169479515.db2.gz QHJNEBRHHGLIFP-QMMMGPOBSA-N 0 0 228.317 2.408 50 0 BEAARN CCC[C@H](C)NC(=O)c1ccc2c(c1)OCCO2 ZINC000013582480 169492910 /nfs/dbraw/zinc/49/29/10/169492910.db2.gz CCZUJECLVWQAOR-JTQLQIEISA-N 0 0 249.310 2.376 50 0 BEAARN CCC[C@H]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000000442758 169527274 /nfs/dbraw/zinc/52/72/74/169527274.db2.gz GRAQHIIJRKEFBF-ZETCQYMHSA-N 0 0 238.356 2.334 50 0 aggregator BEAARN CCCn1c2ccccc2nc1[C@H](C)NC=O ZINC000004810022 169615193 /nfs/dbraw/zinc/61/51/93/169615193.db2.gz NNVZFWVSAJOUIH-JTQLQIEISA-N 0 0 231.299 2.253 50 0 BEAARN CCCn1nnc2cc(C(=O)OCC)ccc21 ZINC000095496126 169627809 /nfs/dbraw/zinc/62/78/09/169627809.db2.gz RYAHCNAOAUIDHF-UHFFFAOYSA-N 0 0 233.271 2.018 50 0 BEAARN CCN(C(=O)c1ccc(C(=O)OC)cc1)C1CC1 ZINC000095948418 169656577 /nfs/dbraw/zinc/65/65/77/169656577.db2.gz QPMJVNGTVPZOAS-UHFFFAOYSA-N 0 0 247.294 2.098 50 0 BEAARN C[C@@H]1Cn2c(nnc2-c2cccc(N)c2)S1 ZINC000000105608 383826944 /nfs/dbraw/zinc/82/69/44/383826944.db2.gz VLBWKJSSFSOVEN-SSDOTTSWSA-N 0 0 232.312 2.022 50 0 BEAARN CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000000008596 383818011 /nfs/dbraw/zinc/81/80/11/383818011.db2.gz DJKNRCWSXSZACF-UHFFFAOYSA-N 0 0 234.299 2.173 50 0 investigational BEAARN CC(=O)c1c(O)ccc2c(C)cc(=O)oc21 ZINC000000040588 383819319 /nfs/dbraw/zinc/81/93/19/383819319.db2.gz WZOMQVFUPMLOGT-UHFFFAOYSA-N 0 0 218.208 2.010 50 0 BEAARN COC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000000031628 383819790 /nfs/dbraw/zinc/81/97/90/383819790.db2.gz YAAFCZCVBANHHQ-LLVKDONJSA-N 0 0 221.300 2.068 50 0 BEAARN O=C([O-])C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000034963073 383822165 /nfs/dbraw/zinc/82/21/65/383822165.db2.gz QJHMRAUNAZTRTG-CYBMUJFWSA-N 0 0 233.311 2.373 50 0 BEAARN CC1(C)COC(CCC2=NC(C)(C)CO2)=N1 ZINC000000056635 383822336 /nfs/dbraw/zinc/82/23/36/383822336.db2.gz UFUAASKHUNQXBP-UHFFFAOYSA-N 0 0 224.304 2.181 50 0 BEAARN CC(C)(C)c1ccc(-c2nc(N)nc(N)n2)cc1 ZINC000000073973 383825004 /nfs/dbraw/zinc/82/50/04/383825004.db2.gz WMTKYJUMZXLJOV-UHFFFAOYSA-N 0 0 243.314 2.001 50 0 BEAARN COc1ccc(CC(=O)NCC(C)C)cc1 ZINC000000101353 383826236 /nfs/dbraw/zinc/82/62/36/383826236.db2.gz JAFVEPRCOBNCTL-UHFFFAOYSA-N 0 0 221.300 2.010 50 0 biogenic BEAARN O=C(NC(=O)c1ccccc1O)c1cccs1 ZINC000000155892 383836888 /nfs/dbraw/zinc/83/68/88/383836888.db2.gz BUKGFQXPNLPRFK-UHFFFAOYSA-N 0 0 247.275 2.024 50 0 BEAARN Cc1cc(C)c2c(=O)n(-c3ccccc3)nc-2[nH]1 ZINC000000173061 383837930 /nfs/dbraw/zinc/83/79/30/383837930.db2.gz AIVMGHCZMXTOIM-UHFFFAOYSA-N 0 0 239.278 2.331 50 0 BEAARN CC(=O)NCc1ccccc1Br ZINC000000173191 383838912 /nfs/dbraw/zinc/83/89/12/383838912.db2.gz BWFCPQHLMPFBQH-UHFFFAOYSA-N 0 0 228.089 2.085 50 0 BEAARN CSc1nccc(-c2cccnc2)n1 ZINC000000172410 383839689 /nfs/dbraw/zinc/83/96/89/383839689.db2.gz HSHPKFOQRCFEAO-UHFFFAOYSA-N 0 0 203.270 2.261 50 0 BEAARN CCc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)s1 ZINC000000205121 383842915 /nfs/dbraw/zinc/84/29/15/383842915.db2.gz BFIUXTYFWMAWJJ-VXNVDRBHSA-N 0 0 243.353 2.099 50 0 BEAARN Cc1cccc(NC(=O)c2cnccn2)c1 ZINC000000182932 383843178 /nfs/dbraw/zinc/84/31/78/383843178.db2.gz ASWRZMFQNLKJSF-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN CC(=O)c1ncc(Br)cc1F ZINC000066054256 383845180 /nfs/dbraw/zinc/84/51/80/383845180.db2.gz UJKOXVSYARTOMX-UHFFFAOYSA-N 0 0 218.025 2.186 50 0 BEAARN CC1(C)CC(=O)N(C2CCCCC2)[C@]1(C)O ZINC000000236550 383845380 /nfs/dbraw/zinc/84/53/80/383845380.db2.gz FOODFMPGWHYOEN-CYBMUJFWSA-N 0 0 225.332 2.286 50 0 BEAARN Cc1cc(C)c2ccc(C=O)nc2c1O ZINC000000235883 383845558 /nfs/dbraw/zinc/84/55/58/383845558.db2.gz XEIMFKGDSXIMHS-UHFFFAOYSA-N 0 0 201.225 2.370 50 0 biogenic BEAARN CC(=O)c1cc2c(C)cc(=O)oc2cc1O ZINC000000264309 383846979 /nfs/dbraw/zinc/84/69/79/383846979.db2.gz AYAFDQIOLUUJHW-UHFFFAOYSA-N 0 0 218.208 2.010 50 0 biogenic BEAARN CC(C)(C)c1cc(N)n(CC(F)(F)F)n1 ZINC000035287441 383847101 /nfs/dbraw/zinc/84/71/01/383847101.db2.gz ULDPQKCPIAKINS-UHFFFAOYSA-N 0 0 221.226 2.325 50 0 BEAARN CC(C)COc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000000266095 383848290 /nfs/dbraw/zinc/84/82/90/383848290.db2.gz SBXKCNIGZXWFKL-LBPRGKRZSA-N 0 0 237.299 2.196 50 0 biogenic BEAARN Cc1ccc(OCC(=O)Nc2ccccn2)cc1 ZINC000000829226 383879826 /nfs/dbraw/zinc/87/98/26/383879826.db2.gz ZHTDEGSFMDPDKP-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN CC/C=C(\C)c1nc(-c2cnccn2)no1 ZINC000098056404 383851830 /nfs/dbraw/zinc/85/18/30/383851830.db2.gz RJIFGRORGSKEBS-XBXARRHUSA-N 0 0 216.244 2.340 50 0 BEAARN Cc1ccc(C(=O)N[C@H]2CCSC2=O)cc1C ZINC000000318353 383854326 /nfs/dbraw/zinc/85/43/26/383854326.db2.gz WXOAYFVVXKRAIZ-NSHDSACASA-N 0 0 249.335 2.065 50 0 BEAARN Cc1ccnc(NCn2nnc3ccccc32)c1 ZINC000000342716 383856296 /nfs/dbraw/zinc/85/62/96/383856296.db2.gz BXHNMSUFVJCUDH-UHFFFAOYSA-N 0 0 239.282 2.204 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC000066338914 383857303 /nfs/dbraw/zinc/85/73/03/383857303.db2.gz SGPWUVURFSJYQO-NXEZZACHSA-N 0 0 239.315 2.223 50 0 BEAARN Cc1ccnc(NC(=O)COc2ccccc2)c1 ZINC000000361819 383858170 /nfs/dbraw/zinc/85/81/70/383858170.db2.gz RBZJOGFRMUKDMH-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN CN(CC1(C)CCOCC1)C(=O)c1ccoc1 ZINC000257180558 383858968 /nfs/dbraw/zinc/85/89/68/383858968.db2.gz LDFBFJMKOZBTRW-UHFFFAOYSA-N 0 0 237.299 2.168 50 0 BEAARN Cc1nn(Cc2ccccc2)c(C)c1N ZINC000000372159 383859147 /nfs/dbraw/zinc/85/91/47/383859147.db2.gz VEEPGIBHWRABJA-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000372187 383859676 /nfs/dbraw/zinc/85/96/76/383859676.db2.gz JCTYEPZJGLBQKZ-VDTYLAMSSA-N 0 0 223.301 2.010 50 0 BEAARN Cc1cccc(C(=O)Nc2nccc(C)n2)c1 ZINC000000363101 383860322 /nfs/dbraw/zinc/86/03/22/383860322.db2.gz IEOKHOIYSTURGD-UHFFFAOYSA-N 0 0 227.267 2.346 50 0 BEAARN CC(=O)N(C)c1ccc(Br)cc1 ZINC000000400131 383863927 /nfs/dbraw/zinc/86/39/27/383863927.db2.gz JDWFXKUASRMYEO-UHFFFAOYSA-N 0 0 228.089 2.432 50 0 BEAARN CC(=O)Nc1ccc(OC(=O)NC(C)C)cc1 ZINC000000401860 383864634 /nfs/dbraw/zinc/86/46/34/383864634.db2.gz CDAKNRMHZKUXQY-UHFFFAOYSA-N 0 0 236.271 2.142 50 0 BEAARN Cc1cc(NC(=O)CNc2ccc(C)cc2)no1 ZINC000000408086 383866447 /nfs/dbraw/zinc/86/64/47/383866447.db2.gz TVLQPARDRQTYID-UHFFFAOYSA-N 0 0 245.282 2.342 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2)no1 ZINC000000426256 383866456 /nfs/dbraw/zinc/86/64/56/383866456.db2.gz GWRNZKZNEMXLEA-SNVBAGLBSA-N 0 0 230.267 2.474 50 0 BEAARN O=C1NCCS[C@@H]1c1ccc(Cl)cc1 ZINC000000405395 383866475 /nfs/dbraw/zinc/86/64/75/383866475.db2.gz FRRFWPTXLKLQRF-SECBINFHSA-N 0 0 227.716 2.244 50 0 BEAARN Cc1cc(C)c(S(=O)(=O)NC2CC2)c(C)c1 ZINC000000467474 383868347 /nfs/dbraw/zinc/86/83/47/383868347.db2.gz BONVZTRHHHMLTJ-UHFFFAOYSA-N 0 0 239.340 2.053 50 0 BEAARN CCC[C@H](C)C(=O)Nc1ccccc1C(N)=O ZINC000000455872 383869375 /nfs/dbraw/zinc/86/93/75/383869375.db2.gz VBMMCDSRAOAMDS-VIFPVBQESA-N 0 0 234.299 2.160 50 0 BEAARN CCn1nccc1C(=O)Nc1ccccc1OC ZINC000000468403 383869725 /nfs/dbraw/zinc/86/97/25/383869725.db2.gz PGUQRNFLVCBQRG-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN CC(C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000000442363 383870121 /nfs/dbraw/zinc/87/01/21/383870121.db2.gz POEXRFGMWMMYIF-UHFFFAOYSA-N 0 0 206.289 2.347 50 0 BEAARN CC(=O)c1csc(-c2cc(C)on2)n1 ZINC000000123836 383830635 /nfs/dbraw/zinc/83/06/35/383830635.db2.gz VBJKUYDRCXPWKB-UHFFFAOYSA-N 0 0 208.242 2.309 50 0 BEAARN CSC1=NN[C@H](c2nn(C)cc2Cl)S1 ZINC000000127375 383831216 /nfs/dbraw/zinc/83/12/16/383831216.db2.gz ZHZBFMOCRSCUEE-LURJTMIESA-N 0 0 248.764 2.043 50 0 BEAARN CC(=O)c1nnn(-c2c(F)cccc2F)c1C ZINC000000138864 383833086 /nfs/dbraw/zinc/83/30/86/383833086.db2.gz REGTZFPGYVLCFZ-UHFFFAOYSA-N 0 0 237.209 2.057 50 0 BEAARN CC(=O)Nc1ccc(Br)cc1 ZINC000000149704 383833401 /nfs/dbraw/zinc/83/34/01/383833401.db2.gz MSLICLMCQYQNPK-UHFFFAOYSA-N 0 0 214.062 2.408 50 0 BEAARN COC(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000000143465 383833485 /nfs/dbraw/zinc/83/34/85/383833485.db2.gz OFPQATZPMZQELJ-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 BEAARN O=C1N[C@H](c2ccc(O)cc2)Nc2ccccc21 ZINC000000149855 383833775 /nfs/dbraw/zinc/83/37/75/383833775.db2.gz UYBVPYFAXHSIPV-CYBMUJFWSA-N 0 0 240.262 2.246 50 0 biogenic BEAARN CCCCOC(=O)CCC(=O)OCCCC ZINC000001576862 383907589 /nfs/dbraw/zinc/90/75/89/383907589.db2.gz YUXIBTJKHLUKBD-UHFFFAOYSA-N 0 0 230.304 2.453 50 0 in-vitro BEAARN COC(=O)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000096742747 383914890 /nfs/dbraw/zinc/91/48/90/383914890.db2.gz CMVFFHQNGPTDLD-MRVPVSSYSA-N 0 0 243.253 2.131 50 0 BEAARN COC(=O)c1snc(-c2ccccc2C)c1N ZINC000088645795 383917131 /nfs/dbraw/zinc/91/71/31/383917131.db2.gz XTVHCCQSRGQEQU-UHFFFAOYSA-N 0 0 248.307 2.487 50 0 BEAARN C[C@@H](CC(F)F)C(=O)N1CCCCCO1 ZINC000334637609 383925367 /nfs/dbraw/zinc/92/53/67/383925367.db2.gz IYIGNEOVOXEXQW-QMMMGPOBSA-N 0 0 221.247 2.222 50 0 BEAARN Cn1nnnc1SCc1cccc(Cl)c1 ZINC000000984044 383885088 /nfs/dbraw/zinc/88/50/88/383885088.db2.gz YQYHXBPDNADRLJ-UHFFFAOYSA-N 0 0 240.719 2.156 50 0 BEAARN O=c1ccc(Br)c(C(F)(F)F)[nH]1 ZINC000088190213 383886917 /nfs/dbraw/zinc/88/69/17/383886917.db2.gz KJFWXIMKNYWQDD-UHFFFAOYSA-N 0 0 241.994 2.156 50 0 BEAARN CC(=O)NC(=S)Nc1cc(C)cc(C)c1 ZINC000001003710 383887090 /nfs/dbraw/zinc/88/70/90/383887090.db2.gz DONCQOZJUBNHPC-UHFFFAOYSA-N 0 0 222.313 2.136 50 0 BEAARN O=C(/C=C\c1ccc(F)cc1)Nc1nncs1 ZINC000006095014 383889497 /nfs/dbraw/zinc/88/94/97/383889497.db2.gz UEFJTXFOTOPOJN-UTCJRWHESA-N 0 0 249.270 2.329 50 0 BEAARN CC(C)=CC(=O)NCc1ccc(OC(C)C)nc1 ZINC000048516927 383903168 /nfs/dbraw/zinc/90/31/68/383903168.db2.gz JYXVXJMPNKPUKJ-UHFFFAOYSA-N 0 0 248.326 2.451 50 0 BEAARN CCOc1cc(Sc2ccncc2)ncn1 ZINC000127819060 383979934 /nfs/dbraw/zinc/97/99/34/383979934.db2.gz OYNGHYZMYZIFQE-UHFFFAOYSA-N 0 0 233.296 2.422 50 0 BEAARN Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000002582672 383981667 /nfs/dbraw/zinc/98/16/67/383981667.db2.gz JVPYRGXPTAPRJU-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Cc1cc(N)n(-c2ccc(F)cc2F)n1 ZINC000003236862 384002188 /nfs/dbraw/zinc/00/21/88/384002188.db2.gz HADQWWHDMNLDJR-UHFFFAOYSA-N 0 0 209.199 2.041 50 0 BEAARN Cc1cc(C(=O)n2nnc3ccccc32)cs1 ZINC000002751782 383986499 /nfs/dbraw/zinc/98/64/99/383986499.db2.gz KIJBGDAKKDRTBM-UHFFFAOYSA-N 0 0 243.291 2.490 50 0 BEAARN O=C(Nc1ncccn1)c1ccc(Cl)s1 ZINC000002765519 383987119 /nfs/dbraw/zinc/98/71/19/383987119.db2.gz ULYFDLNDDJWUNV-UHFFFAOYSA-N 0 0 239.687 2.444 50 0 BEAARN CCCCNC(=O)C(=O)Nc1cccc(C)c1C ZINC000002870061 383989725 /nfs/dbraw/zinc/98/97/25/383989725.db2.gz QLHKXVIXRVWJEV-UHFFFAOYSA-N 0 0 248.326 2.158 50 0 BEAARN COCCn1cc(C=O)c2ccccc21 ZINC000002838512 383989767 /nfs/dbraw/zinc/98/97/67/383989767.db2.gz WHEOMQTYIHCDTQ-UHFFFAOYSA-N 0 0 203.241 2.100 50 0 BEAARN Cc1nsc(N2CCc3sccc3C2)n1 ZINC000089721404 383990098 /nfs/dbraw/zinc/99/00/98/383990098.db2.gz OYTBJCDDIYLHFM-UHFFFAOYSA-N 0 0 237.353 2.471 50 0 BEAARN CCONC(=O)Nc1ccccc1Cl ZINC000003074360 383997308 /nfs/dbraw/zinc/99/73/08/383997308.db2.gz NDILLLKOOMCOLU-UHFFFAOYSA-N 0 0 214.652 2.413 50 0 BEAARN Cc1csc2c1ncnc2-c1cc[nH]n1 ZINC000067742600 383943695 /nfs/dbraw/zinc/94/36/95/383943695.db2.gz PQTZKTUVHQBDRE-UHFFFAOYSA-N 0 0 216.269 2.390 50 0 BEAARN Cc1cc(C)n(-c2cccc(-c3nc[nH]n3)c2)n1 ZINC000067787952 383946251 /nfs/dbraw/zinc/94/62/51/383946251.db2.gz USJMCJMOHKTAFA-UHFFFAOYSA-N 0 0 239.282 2.274 50 0 BEAARN CC(C)C[C@@H](C)NC(=O)c1ccncc1 ZINC000002069507 383948985 /nfs/dbraw/zinc/94/89/85/383948985.db2.gz TYHNTVMSQYIYFX-SNVBAGLBSA-N 0 0 206.289 2.246 50 0 BEAARN Cc1cc(N)n(-c2cccc(Cl)c2)n1 ZINC000002169352 383954920 /nfs/dbraw/zinc/95/49/20/383954920.db2.gz YQXLXMSDCGPOLM-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN Nc1ccccc1S(=O)(=O)Oc1ccccc1 ZINC000002506804 383966381 /nfs/dbraw/zinc/96/63/81/383966381.db2.gz DELFPZLNAZAZRE-UHFFFAOYSA-N 0 0 249.291 2.037 50 0 BEAARN CCCCOC(=O)[C@@H](O)c1ccccc1 ZINC000002508055 383968925 /nfs/dbraw/zinc/96/89/25/383968925.db2.gz QLVXFMSPNHAPMO-NSHDSACASA-N 0 0 208.257 2.063 50 0 BEAARN Cc1cc(Br)c(N)cc1F ZINC000002512341 383969393 /nfs/dbraw/zinc/96/93/93/383969393.db2.gz ZHSUEJWJGKIOGI-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN C[C@H]1C(=O)CCN(Cc2ccccc2)[C@H]1C ZINC000002510510 383969488 /nfs/dbraw/zinc/96/94/88/383969488.db2.gz PUVALBABJRFOQO-NEPJUHHUSA-N 0 0 217.312 2.486 50 0 BEAARN Cn1nccc1CNc1ccc(F)cc1 ZINC000002536388 383971723 /nfs/dbraw/zinc/97/17/23/383971723.db2.gz DLBLTGRRXRGIPS-UHFFFAOYSA-N 0 0 205.236 2.171 50 0 BEAARN C[C@@H](NC1=[NH+]CCS1)c1ccccc1 ZINC000003239379 384001840 /nfs/dbraw/zinc/00/18/40/384001840.db2.gz JXFZUEXOEBPBHP-SECBINFHSA-N 0 0 206.314 2.440 50 0 BEAARN O=Cc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000003676343 384023125 /nfs/dbraw/zinc/02/31/25/384023125.db2.gz JVHNLBYOYMCUPB-UHFFFAOYSA-N 0 0 247.275 2.394 50 0 BEAARN Cc1cc(C(=O)Oc2ccccc2)cc(=O)o1 ZINC000068719623 384010461 /nfs/dbraw/zinc/01/04/61/384010461.db2.gz DQQOKAABNRSAJD-UHFFFAOYSA-N 0 0 230.219 2.167 50 0 BEAARN CC(=O)c1cccc(NC(=O)c2cc(C)on2)c1 ZINC000003435531 384012084 /nfs/dbraw/zinc/01/20/84/384012084.db2.gz SGJOBFPSDSIHJF-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN Cc1nsc(C(=O)NCc2ccc(C)cc2)n1 ZINC000096098471 384043310 /nfs/dbraw/zinc/04/33/10/384043310.db2.gz MCGACSIQSYOKMI-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN COC(=N)c1cccc(Br)c1 ZINC000037927979 384043737 /nfs/dbraw/zinc/04/37/37/384043737.db2.gz LRFHACQUFBUNBT-UHFFFAOYSA-N 0 0 214.062 2.421 50 0 BEAARN Nc1nnc(SCc2cccs2)s1 ZINC000004206109 384044829 /nfs/dbraw/zinc/04/48/29/384044829.db2.gz IXGRQFSVJGXNSG-UHFFFAOYSA-N 0 0 229.355 2.474 50 0 BEAARN Nc1nncc(-c2cc(Cl)ccc2Cl)n1 ZINC000004298965 384053711 /nfs/dbraw/zinc/05/37/11/384053711.db2.gz LRPJNRNMMDWCBM-UHFFFAOYSA-N 0 0 241.081 2.428 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCCc1ccc(F)cc1F ZINC000071899795 384047184 /nfs/dbraw/zinc/04/71/84/384047184.db2.gz NPSFRUGKWZCSFS-LDYMZIIASA-N 0 0 239.265 2.280 50 0 BEAARN CS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000004290605 384053516 /nfs/dbraw/zinc/05/35/16/384053516.db2.gz AQTSOPUGBOARBV-UHFFFAOYSA-N 0 0 222.668 2.024 50 0 BEAARN COC(=O)c1ccc(-c2ncccc2C=O)cc1 ZINC000003884529 384031186 /nfs/dbraw/zinc/03/11/86/384031186.db2.gz HIZNWJNOPRGKOC-UHFFFAOYSA-N 0 0 241.246 2.348 50 0 BEAARN O=C(NC(=O)N1CCCCCC1)c1ccccc1 ZINC000000081861 384032934 /nfs/dbraw/zinc/03/29/34/384032934.db2.gz RCXGHWBISQQKPP-UHFFFAOYSA-N 0 0 246.310 2.412 50 0 BEAARN CN(CC1(C)CCOCC1)C(=O)NC(C)(C)C ZINC000257183994 384053834 /nfs/dbraw/zinc/05/38/34/384053834.db2.gz STPOKIJWFKCIAH-UHFFFAOYSA-N 0 0 242.363 2.243 50 0 BEAARN COC(=O)c1cc(-c2c[nH]c3ccccc32)[nH]n1 ZINC000090225819 384035253 /nfs/dbraw/zinc/03/52/53/384035253.db2.gz OKFMGDVQFVYLLV-UHFFFAOYSA-N 0 0 241.250 2.345 50 0 BEAARN COC(=O)c1cc(C)c(N)c(Br)c1 ZINC000004050441 384039735 /nfs/dbraw/zinc/03/97/35/384039735.db2.gz WJMQXQGSWCVNHQ-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN CC(C)(O)c1ccc(Br)nc1 ZINC000114503682 384041791 /nfs/dbraw/zinc/04/17/91/384041791.db2.gz QXXFENKOGOCHSU-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 BEAARN Nc1nncc(-c2ccc(Cl)cc2Cl)n1 ZINC000004298967 384054689 /nfs/dbraw/zinc/05/46/89/384054689.db2.gz CFQDCCNAJLLWTD-UHFFFAOYSA-N 0 0 241.081 2.428 50 0 BEAARN CCc1cccc(NC(=O)CC(C)=O)c1 ZINC000004499594 384063129 /nfs/dbraw/zinc/06/31/29/384063129.db2.gz SGFRWYKGJKSFAC-UHFFFAOYSA-N 0 0 205.257 2.167 50 0 BEAARN CC(=O)c1cc2c(cc1N=O)OCCO2 ZINC000004676215 384065598 /nfs/dbraw/zinc/06/55/98/384065598.db2.gz DXQLQTIYTSZTMN-UHFFFAOYSA-N 0 0 207.185 2.058 50 0 BEAARN COC(=O)CCCN(C#N)c1ccc(F)cc1 ZINC000281584233 384066622 /nfs/dbraw/zinc/06/66/22/384066622.db2.gz GGMKFKWFYOJLKC-UHFFFAOYSA-N 0 0 236.246 2.066 50 0 BEAARN CC(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000004783054 384079497 /nfs/dbraw/zinc/07/94/97/384079497.db2.gz KUBAPSPDWLBSBN-UHFFFAOYSA-N 0 0 235.327 2.499 50 0 BEAARN C/C(=C\c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000004949511 384091514 /nfs/dbraw/zinc/09/15/14/384091514.db2.gz PXLOXBQOWXFAMJ-WONIAPNHSA-N 0 0 245.322 2.385 50 0 BEAARN c1coc(CNCc2ccc3c(c2)OCO3)c1 ZINC000004992716 384095925 /nfs/dbraw/zinc/09/59/25/384095925.db2.gz IYJBVWFYSKYHQY-UHFFFAOYSA-N 0 0 231.251 2.298 50 0 BEAARN O=C1NCCc2ccccc2[C@H]1c1ccccc1 ZINC000000347229 384099325 /nfs/dbraw/zinc/09/93/25/384099325.db2.gz MNYMLRZPVPLNGN-OAHLLOKOSA-N 0 0 237.302 2.491 50 0 BEAARN COC(=O)c1cc2cccc(N)c2s1 ZINC000039086987 384100528 /nfs/dbraw/zinc/10/05/28/384100528.db2.gz OWASVDSNOKBQKG-UHFFFAOYSA-N 0 0 207.254 2.270 50 0 BEAARN COc1cc(Br)ccc1NC(C)=O ZINC000005291585 384108733 /nfs/dbraw/zinc/10/87/33/384108733.db2.gz OXHBMBUYHWMWKM-UHFFFAOYSA-N 0 0 244.088 2.416 50 0 BEAARN Cc1ccc(C)c(Nc2nc(O)cs2)c1 ZINC000005375609 384111366 /nfs/dbraw/zinc/11/13/66/384111366.db2.gz SNHJWLUUMIHIPC-UHFFFAOYSA-N 0 0 220.297 2.345 50 0 BEAARN COc1c(F)cc(Br)cc1CO ZINC000091297242 384114655 /nfs/dbraw/zinc/11/46/55/384114655.db2.gz YGMACJKTPMUUGR-UHFFFAOYSA-N 0 0 235.052 2.089 50 0 BEAARN FC(F)Oc1cccc(Br)n1 ZINC000091363998 384121050 /nfs/dbraw/zinc/12/10/50/384121050.db2.gz REVQVOFMUFBKSM-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(C2COC2)CC1 ZINC000091353274 384121173 /nfs/dbraw/zinc/12/11/73/384121173.db2.gz UEKRZANKPZVKJS-UHFFFAOYSA-N 0 0 241.331 2.280 50 0 BEAARN CC(=O)c1ccc(-n2cncn2)cc1Cl ZINC000070603096 384124583 /nfs/dbraw/zinc/12/45/83/384124583.db2.gz VRKQGPMJMJOEAJ-UHFFFAOYSA-N 0 0 221.647 2.123 50 0 BEAARN Cc1ccc(C)c(C(=O)CSc2nc[nH]n2)c1 ZINC000005730434 384127852 /nfs/dbraw/zinc/12/78/52/384127852.db2.gz LVACVHIXSQXJMS-UHFFFAOYSA-N 0 0 247.323 2.397 50 0 BEAARN Cc1cccc(COc2ncnc3[nH]cnc32)c1 ZINC000005818496 384131757 /nfs/dbraw/zinc/13/17/57/384131757.db2.gz FCQCBFOJZZPYMG-UHFFFAOYSA-N 0 0 240.266 2.240 50 0 BEAARN CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000000371753 384147921 /nfs/dbraw/zinc/14/79/21/384147921.db2.gz YAABJMRUUQSQBM-UHFFFAOYSA-N 0 0 227.267 2.291 50 0 BEAARN Cc1cc(C)c(C(N)=O)c2c1C(=O)C(C)(C)C2 ZINC000006201508 384149195 /nfs/dbraw/zinc/14/91/95/384149195.db2.gz PJMGSHQZTUBTSC-UHFFFAOYSA-N 0 0 231.295 2.167 50 0 BEAARN CC(=O)CC(=O)Nc1cc(F)ccc1C ZINC000006206017 384149311 /nfs/dbraw/zinc/14/93/11/384149311.db2.gz KTKFYMHVRFHEGP-UHFFFAOYSA-N 0 0 209.220 2.052 50 0 BEAARN Nc1cc(-c2ccccc2)nc(Cl)n1 ZINC000071260695 384156367 /nfs/dbraw/zinc/15/63/67/384156367.db2.gz WEUHZJARRPBHRH-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN CC(=O)Oc1ccc(C(=O)C(F)(F)F)cc1 ZINC000091677905 384138249 /nfs/dbraw/zinc/13/82/49/384138249.db2.gz ZUSQIFOBBBRZIR-UHFFFAOYSA-N 0 0 232.157 2.357 50 0 BEAARN CC(C)(C)c1nnnn1Cc1ccccc1 ZINC000091690481 384138756 /nfs/dbraw/zinc/13/87/56/384138756.db2.gz XCVBGDDCZYRBLL-UHFFFAOYSA-N 0 0 216.288 2.019 50 0 BEAARN COC(=O)c1sc(C=O)cc1C(F)(F)F ZINC000091692263 384138790 /nfs/dbraw/zinc/13/87/90/384138790.db2.gz ZPLZSGUMLATIOW-UHFFFAOYSA-N 0 0 238.186 2.366 50 0 BEAARN CC(=O)N[C@H]1CCC[C@H]1Oc1ccccc1 ZINC000071902931 384140026 /nfs/dbraw/zinc/14/00/26/384140026.db2.gz FAINOKJHGNPYSO-QWHCGFSZSA-N 0 0 219.284 2.123 50 0 BEAARN C[C@H](NC(=O)C1CCC1)c1ccncc1 ZINC000006125194 384145725 /nfs/dbraw/zinc/14/57/25/384145725.db2.gz UBPCJEZDERUZHK-VIFPVBQESA-N 0 0 204.273 2.059 50 0 BEAARN O=C(NC[C@@H]1CCCO1)Nc1cccc(F)c1 ZINC000006731423 384164871 /nfs/dbraw/zinc/16/48/71/384164871.db2.gz BYFYDGGUVSTJLD-NSHDSACASA-N 0 0 238.262 2.126 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c(C)o1 ZINC000006726417 384165828 /nfs/dbraw/zinc/16/58/28/384165828.db2.gz AHMXBVWBAAPFBY-JOYOIKCWSA-N 0 0 237.299 2.194 50 0 BEAARN COC(=O)c1nc2cc(Cl)ccc2[nH]1 ZINC000071602908 384170858 /nfs/dbraw/zinc/17/08/58/384170858.db2.gz ZABAOZMNFJQFJC-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CS[C@H](C)CNC(=O)Nc1ccncc1F ZINC000097376676 384182863 /nfs/dbraw/zinc/18/28/63/384182863.db2.gz FNCXLOGKCXFCEM-SSDOTTSWSA-N 0 0 243.307 2.094 50 0 BEAARN COC(=O)c1cc(N)c(C)cc1Br ZINC000071864349 384183807 /nfs/dbraw/zinc/18/38/07/384183807.db2.gz YZLNWLHJRDAYTM-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN CSCCOc1ccccc1-c1nc[nH]n1 ZINC000097378065 384184094 /nfs/dbraw/zinc/18/40/94/384184094.db2.gz PBDOFTAVOKXTIF-UHFFFAOYSA-N 0 0 235.312 2.214 50 0 BEAARN CC(C)=CC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000061022907 384204954 /nfs/dbraw/zinc/20/49/54/384204954.db2.gz WQWVIMDFAKURKG-UHFFFAOYSA-N 0 0 238.375 2.189 50 0 BEAARN Cc1cc(C(=O)N2CCC=C(F)C2)ns1 ZINC000336340928 384207145 /nfs/dbraw/zinc/20/71/45/384207145.db2.gz KJFIRKWMWQIRMK-UHFFFAOYSA-N 0 0 226.276 2.151 50 0 BEAARN CCCCSc1cc(C)nc2ncnn21 ZINC000002885693 384188769 /nfs/dbraw/zinc/18/87/69/384188769.db2.gz DAXNKNKDYINJBG-UHFFFAOYSA-N 0 0 222.317 2.325 50 0 BEAARN CCO[C@H]1C[C@H](NC(=O)c2ccco2)C1(C)C ZINC000071915435 384191856 /nfs/dbraw/zinc/19/18/56/384191856.db2.gz QYDBPKWSDRVGTN-QWRGUYRKSA-N 0 0 237.299 2.213 50 0 BEAARN C[C@@H](C(=O)Nc1cnccn1)c1cccc(F)c1 ZINC000097379883 384192292 /nfs/dbraw/zinc/19/22/92/384192292.db2.gz LWFILCKJPOCTCL-SECBINFHSA-N 0 0 245.257 2.358 50 0 BEAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)CS1 ZINC000004893324 384194911 /nfs/dbraw/zinc/19/49/11/384194911.db2.gz BIXRBYVMLQQWKE-JTQLQIEISA-N 0 0 227.716 2.376 50 0 BEAARN CC(C)CC[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000041689652 384196208 /nfs/dbraw/zinc/19/62/08/384196208.db2.gz NROXZTNRTQMIJR-JTQLQIEISA-N 0 0 201.310 2.121 50 0 BEAARN O=C([O-])C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000041689137 384196385 /nfs/dbraw/zinc/19/63/85/384196385.db2.gz FHCMXOKZHFIXDN-UHFFFAOYSA-N 0 0 249.241 2.260 50 0 BEAARN CNc1n[nH]c2ccc(Br)cc21 ZINC000072193737 384197745 /nfs/dbraw/zinc/19/77/45/384197745.db2.gz IXCLPEJUNPPZOJ-UHFFFAOYSA-N 0 0 226.077 2.367 50 0 BEAARN CC(=O)N[C@@]1([C@H]2C=CCCC2)C=COCC1 ZINC000072194099 384198445 /nfs/dbraw/zinc/19/84/45/384198445.db2.gz CVVYCUUQSLWFTJ-STQMWFEESA-N 0 0 221.300 2.152 50 0 BEAARN O=Cc1ccc(-n2ccnc2)cc1Cl ZINC000042684259 384236386 /nfs/dbraw/zinc/23/63/86/384236386.db2.gz BUUCGRMFXGLDNV-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN COC(=O)c1ccccc1N1CCCC1 ZINC000008700994 384210168 /nfs/dbraw/zinc/21/01/68/384210168.db2.gz ITOPIAUOCIUWMS-UHFFFAOYSA-N 0 0 205.257 2.073 50 0 BEAARN CCOCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000008715533 384212584 /nfs/dbraw/zinc/21/25/84/384212584.db2.gz CYGKXWSFEPECEJ-UHFFFAOYSA-N 0 0 238.312 2.138 50 0 BEAARN O=C(Nc1nccs1)[C@H]1Cc2ccccc2O1 ZINC000009884854 384265647 /nfs/dbraw/zinc/26/56/47/384265647.db2.gz ZEYBMCBUKSSQGO-SNVBAGLBSA-N 0 0 246.291 2.085 50 0 BEAARN Cc1nsc(N(C)[C@@H](CO)CC(C)(C)C)n1 ZINC000408519760 384278111 /nfs/dbraw/zinc/27/81/11/384278111.db2.gz ZOSBVWWQCOUMPC-SECBINFHSA-N 0 0 243.376 2.080 50 0 BEAARN Nc1cc(Cl)ccc1C(=O)[C@H]1CCOC1 ZINC000083053401 384278202 /nfs/dbraw/zinc/27/82/02/384278202.db2.gz UEMASCOGUDXJOE-ZETCQYMHSA-N 0 0 225.675 2.141 50 0 BEAARN O=C(/C=C/c1ccc(F)cc1)NC1CC1 ZINC000000228992 384272227 /nfs/dbraw/zinc/27/22/27/384272227.db2.gz LGYFGEBHNSKNDY-FPYGCLRLSA-N 0 0 205.232 2.118 50 0 BEAARN Cc1cccc(NC2=NC[C@H](C)S2)n1 ZINC000012462972 384322282 /nfs/dbraw/zinc/32/22/82/384322282.db2.gz CMHNKMRKUZJKCO-QMMMGPOBSA-N 0 0 207.302 2.293 50 0 BEAARN COCCn1cc(C(C)=O)c2ccccc21 ZINC000012380264 384316694 /nfs/dbraw/zinc/31/66/94/384316694.db2.gz QYTHXNOXCIMWCU-UHFFFAOYSA-N 0 0 217.268 2.490 50 0 BEAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cccc(O)c1 ZINC000012377879 384317215 /nfs/dbraw/zinc/31/72/15/384317215.db2.gz SDNPBOXTUOIGMX-VXGBXAGGSA-N 0 0 245.278 2.072 50 0 BEAARN CS[C@H]1CCN(c2ccc(F)cn2)C1 ZINC000295067601 384282759 /nfs/dbraw/zinc/28/27/59/384282759.db2.gz WAIWESRJTYRJEL-VIFPVBQESA-N 0 0 212.293 2.162 50 0 BEAARN CCCCN(CCCC)C(=O)c1ncc[nH]1 ZINC000408522178 384285159 /nfs/dbraw/zinc/28/51/59/384285159.db2.gz FDDMPDRZZKEIOI-UHFFFAOYSA-N 0 0 223.320 2.452 50 0 BEAARN Cc1c[nH]cc1C(=O)N[C@H]1C[C@@H]1c1cccnc1 ZINC000408523185 384286391 /nfs/dbraw/zinc/28/63/91/384286391.db2.gz PMAZDSCNRVYEDP-YPMHNXCESA-N 0 0 241.294 2.004 50 0 BEAARN C=CC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 ZINC000408525871 384289444 /nfs/dbraw/zinc/28/94/44/384289444.db2.gz BCVHQYLHMKPKEU-NSHDSACASA-N 0 0 233.315 2.144 50 0 BEAARN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)[O-])C1 ZINC000237578541 384299621 /nfs/dbraw/zinc/29/96/21/384299621.db2.gz HFCYYZNEMJZRDH-SKDRFNHKSA-N 0 0 237.274 2.293 50 0 BEAARN CCCn1cc(CNc2nc(C(C)C)no2)cn1 ZINC000097045541 384302336 /nfs/dbraw/zinc/30/23/36/384302336.db2.gz YWWAQRJTJUUDNT-UHFFFAOYSA-N 0 0 249.318 2.412 50 0 BEAARN COC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133624484 384303832 /nfs/dbraw/zinc/30/38/32/384303832.db2.gz PTPWFFZQLBEBNY-CHWSQXEVSA-N 0 0 233.311 2.085 50 0 BEAARN CCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000005005639 384373401 /nfs/dbraw/zinc/37/34/01/384373401.db2.gz DBKBMKQQYVUIBN-UHFFFAOYSA-N 0 0 236.315 2.364 50 0 BEAARN CSc1ccc(-c2cccnc2)nn1 ZINC000004391866 384340969 /nfs/dbraw/zinc/34/09/69/384340969.db2.gz BJLHOQQTQAAXDE-UHFFFAOYSA-N 0 0 203.270 2.261 50 0 BEAARN Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1F ZINC000012923219 384341021 /nfs/dbraw/zinc/34/10/21/384341021.db2.gz PEEHYZLYDGQBOY-NSHDSACASA-N 0 0 237.274 2.043 50 0 BEAARN COCc1cccc(C(=O)N2CCCC2)c1 ZINC000012978541 384343178 /nfs/dbraw/zinc/34/31/78/384343178.db2.gz NRLQPCCZHFJTAX-UHFFFAOYSA-N 0 0 219.284 2.069 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000013327704 384356758 /nfs/dbraw/zinc/35/67/58/384356758.db2.gz HLHIJMBYGLSGPE-DGCLKSJQSA-N 0 0 233.311 2.351 50 0 BEAARN O=Cc1cccc(F)c1N1CCSC1 ZINC000095081227 384359374 /nfs/dbraw/zinc/35/93/74/384359374.db2.gz DLHDTGCRBHCTDR-UHFFFAOYSA-N 0 0 211.261 2.149 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CC(CO)C2)C1 ZINC000095084625 384359998 /nfs/dbraw/zinc/35/99/98/384359998.db2.gz NADWHBFAGOIEAE-UHFFFAOYSA-N 0 0 241.331 2.016 50 0 BEAARN O=C(c1ccc2c(c1)OCCCO2)N1CCCC1 ZINC000032716561 384360191 /nfs/dbraw/zinc/36/01/91/384360191.db2.gz BBGLQIHKIHSFLT-UHFFFAOYSA-N 0 0 247.294 2.084 50 0 BEAARN CC(C)C[C@@H]1CCCN1C(=O)c1ncccc1O ZINC000097102385 384360100 /nfs/dbraw/zinc/36/01/00/384360100.db2.gz PJVUGWLUVKDKQM-NSHDSACASA-N 0 0 248.326 2.438 50 0 BEAARN CON(C)C(=O)c1c(Cl)ccnc1Cl ZINC000095093613 384363906 /nfs/dbraw/zinc/36/39/06/384363906.db2.gz JXLSGIVAKSNROJ-UHFFFAOYSA-N 0 0 235.070 2.022 50 0 BEAARN Cc1oc2ncn(Cc3ccco3)c(=N)c2c1C ZINC000013655706 384368661 /nfs/dbraw/zinc/36/86/61/384368661.db2.gz MTMPEEQPDATTQU-UHFFFAOYSA-N 0 0 243.266 2.367 50 0 BEAARN CC(C)c1cc(NCCCc2ncc[nH]2)ncn1 ZINC000095361073 384370620 /nfs/dbraw/zinc/37/06/20/384370620.db2.gz JTRUSJQFDNXFNM-UHFFFAOYSA-N 0 0 245.330 2.368 50 0 BEAARN Cn1cc([C@H]2CCCN2Cc2cscn2)cn1 ZINC000095349684 384370704 /nfs/dbraw/zinc/37/07/04/384370704.db2.gz BHMVRDZJBUXXHB-GFCCVEGCSA-N 0 0 248.355 2.214 50 0 BEAARN CCCc1nnc(NCCc2c(C)n[nH]c2C)o1 ZINC000095384187 384372708 /nfs/dbraw/zinc/37/27/08/384372708.db2.gz KEEZHTYMRREYNW-UHFFFAOYSA-N 0 0 249.318 2.017 50 0 BEAARN CCc1cnc(NCCCn2cc(C)cn2)nc1 ZINC000095370587 384372896 /nfs/dbraw/zinc/37/28/96/384372896.db2.gz BFDOREMHNQFDHO-UHFFFAOYSA-N 0 0 245.330 2.046 50 0 BEAARN COC(=O)c1ccc(-c2ccc(CO)o2)cc1 ZINC000000449954 384324392 /nfs/dbraw/zinc/32/43/92/384324392.db2.gz ZZWRTVWTWGAZPC-UHFFFAOYSA-N 0 0 232.235 2.226 50 0 BEAARN Clc1ncnc2cc(N3CCOCC3)ccc12 ZINC000094986243 384327084 /nfs/dbraw/zinc/32/70/84/384327084.db2.gz GKFIGWQWNINBID-UHFFFAOYSA-N 0 0 249.701 2.120 50 0 BEAARN Cc1cc(C(N)=O)cc(C)c1Br ZINC000012648827 384329322 /nfs/dbraw/zinc/32/93/22/384329322.db2.gz ATWMWAQQPBRPCA-UHFFFAOYSA-N 0 0 228.089 2.165 50 0 BEAARN Cc1cccc(N2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000097096674 384333772 /nfs/dbraw/zinc/33/37/72/384333772.db2.gz KXTCLVQVFQHQEV-OLZOCXBDSA-N 0 0 232.327 2.395 50 0 BEAARN O=C(COC1CCC1)OCc1ccccc1 ZINC000077011627 384392817 /nfs/dbraw/zinc/39/28/17/384392817.db2.gz KUYWMBMETZVYBY-UHFFFAOYSA-N 0 0 220.268 2.299 50 0 BEAARN CC(C)(C)OC(=O)N1CCCC2(CC(O)C2)C1 ZINC000095742889 384393269 /nfs/dbraw/zinc/39/32/69/384393269.db2.gz KSJLUFYKVIPHSC-UHFFFAOYSA-N 0 0 241.331 2.158 50 0 BEAARN COC(=O)C12CC(C1)CCN2Cc1ccccc1 ZINC000095742859 384393827 /nfs/dbraw/zinc/39/38/27/384393827.db2.gz VZONIRHOBLKYJS-UHFFFAOYSA-N 0 0 245.322 2.214 50 0 BEAARN CCNC(=O)c1oc2ccc(OC)cc2c1C ZINC000009219242 384396260 /nfs/dbraw/zinc/39/62/60/384396260.db2.gz MILVTYIBCYYBIC-UHFFFAOYSA-N 0 0 233.267 2.500 50 0 BEAARN Cc1ccc(Oc2nn(C)cc2N)c(C)c1 ZINC000095836587 384403139 /nfs/dbraw/zinc/40/31/39/384403139.db2.gz JDDFKEJPKZHUCV-UHFFFAOYSA-N 0 0 217.272 2.411 50 0 BEAARN CC(C)(C)c1cc(N)n(Cc2ccccn2)n1 ZINC000095883680 384404949 /nfs/dbraw/zinc/40/49/49/384404949.db2.gz BDHYFKFJMIHAHX-UHFFFAOYSA-N 0 0 230.315 2.206 50 0 BEAARN COC(=O)c1c[nH]cc1-c1csc(C)n1 ZINC000095883830 384405263 /nfs/dbraw/zinc/40/52/63/384405263.db2.gz HAKZGYSZDGGFCU-UHFFFAOYSA-N 0 0 222.269 2.233 50 0 BEAARN Nc1sc2c(c1C(=O)c1ccncc1)CCC2 ZINC000095882077 384405614 /nfs/dbraw/zinc/40/56/14/384405614.db2.gz UFWQOIUSHXQVKK-UHFFFAOYSA-N 0 0 244.319 2.445 50 0 BEAARN C[C@@H](NCc1ccco1)c1nnc2n1CCCC2 ZINC000084668008 384406710 /nfs/dbraw/zinc/40/67/10/384406710.db2.gz CEFNTGQTYXIUMR-SNVBAGLBSA-N 0 0 246.314 2.058 50 0 BEAARN O=c1[nH]cnc2ccc(CCCCCCO)cc12 ZINC000077523943 384411029 /nfs/dbraw/zinc/41/10/29/384411029.db2.gz CPMCKRXNEIRZAM-UHFFFAOYSA-N 0 0 246.310 2.018 50 0 BEAARN Ic1cccc2n[nH]cc21 ZINC000014983484 384413105 /nfs/dbraw/zinc/41/31/05/384413105.db2.gz CJQXSPSUIGJNJX-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 in-vivo BEAARN Cc1ccc(Sc2nccnc2NN)cc1 ZINC000045918594 384414195 /nfs/dbraw/zinc/41/41/95/384414195.db2.gz DGWBEZODLXVRNN-UHFFFAOYSA-N 0 0 232.312 2.222 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CC2(F)F)cc1O ZINC000295259161 384415761 /nfs/dbraw/zinc/41/57/61/384415761.db2.gz HKGGQJCXMUPRBV-MRVPVSSYSA-N 0 0 227.210 2.294 50 0 BEAARN C[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000096026222 384421631 /nfs/dbraw/zinc/42/16/31/384421631.db2.gz CJGCFSACALSTJS-DGCLKSJQSA-N 0 0 233.311 2.085 50 0 BEAARN O=Cc1cc(C(F)(F)F)nn1[C@H]1CCCCO1 ZINC000095495581 384377719 /nfs/dbraw/zinc/37/77/19/384377719.db2.gz PZQZOLLJNBPAHA-SECBINFHSA-N 0 0 248.204 2.414 50 0 BEAARN CC(C)(C)[C@H](O)CC(=O)C(F)(F)C(F)F ZINC000013940835 384379226 /nfs/dbraw/zinc/37/92/26/384379226.db2.gz MUIZZZIEBIXZSZ-RXMQYKEDSA-N 0 0 230.201 2.253 50 0 BEAARN Cc1ccc(S(C)(=O)=O)c(Br)c1 ZINC000095496070 384380592 /nfs/dbraw/zinc/38/05/92/384380592.db2.gz MMVJYJCTQVRODS-UHFFFAOYSA-N 0 0 249.129 2.161 50 0 BEAARN Cc1ccc(C(=O)NCCc2ccccc2)cn1 ZINC000032895336 384425402 /nfs/dbraw/zinc/42/54/02/384425402.db2.gz DDIDKSXKNOFAPR-UHFFFAOYSA-N 0 0 240.306 2.363 50 0 BEAARN O=Cc1nc(Cl)ccc1Br ZINC000095616298 384382856 /nfs/dbraw/zinc/38/28/56/384382856.db2.gz QJDOKQZCTKPLOY-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN COC(=O)c1ccc(NC(=O)C2CCC2)s1 ZINC000032808670 384384947 /nfs/dbraw/zinc/38/49/47/384384947.db2.gz WLKGHSSLJAYIJD-UHFFFAOYSA-N 0 0 239.296 2.273 50 0 BEAARN Cn1ccc(-c2ccc(Br)cn2)n1 ZINC000095629631 384385050 /nfs/dbraw/zinc/38/50/50/384385050.db2.gz ISCOXVDHAKWFHJ-UHFFFAOYSA-N 0 0 238.088 2.245 50 0 BEAARN CC(=O)Nc1cccc(C(=O)NCCC(C)C)c1 ZINC000014168571 384387254 /nfs/dbraw/zinc/38/72/54/384387254.db2.gz DSZGNYZTZHLNAA-UHFFFAOYSA-N 0 0 248.326 2.421 50 0 BEAARN Cn1nccc1/C=C/C(=O)NCC1CCCCC1 ZINC000029960932 384387707 /nfs/dbraw/zinc/38/77/07/384387707.db2.gz ISNJHBGIAJRQPS-BQYQJAHWSA-N 0 0 247.342 2.130 50 0 BEAARN COC(=O)Cc1ccc(Cl)c(F)c1 ZINC000095728952 384390817 /nfs/dbraw/zinc/39/08/17/384390817.db2.gz CHIFGWQBSUHXMZ-UHFFFAOYSA-N 0 0 202.612 2.195 50 0 BEAARN COC(=O)c1ccc(Cl)c(Cl)n1 ZINC000047202330 384444365 /nfs/dbraw/zinc/44/43/65/384444365.db2.gz HVVBBQRGDOCRCA-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN Cc1ccn(Cc2ccc(-n3cccn3)cc2)n1 ZINC000097229731 384452235 /nfs/dbraw/zinc/45/22/35/384452235.db2.gz OVPXPMCRLCYVPL-UHFFFAOYSA-N 0 0 238.294 2.426 50 0 BEAARN Cc1nnc(NC(=O)[C@H]2CC=CCC2)s1 ZINC000015324583 384427773 /nfs/dbraw/zinc/42/77/73/384427773.db2.gz OGOZQAKIXDBKNX-QMMMGPOBSA-N 0 0 223.301 2.141 50 0 BEAARN COC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC000015444641 384432773 /nfs/dbraw/zinc/43/27/73/384432773.db2.gz NFEOJQQNFBVATP-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN O=c1c2ccccc2occ1[C@@H]1NCCS1 ZINC000096170755 384439930 /nfs/dbraw/zinc/43/99/30/384439930.db2.gz WJBVIUUFVGVIRN-GFCCVEGCSA-N 0 0 233.292 2.128 50 0 BEAARN CS(=O)(=O)c1ccc(-c2cccc(O)c2)cc1 ZINC000016947066 384473460 /nfs/dbraw/zinc/47/34/60/384473460.db2.gz MMGUTUQZASAGLF-UHFFFAOYSA-N 0 0 248.303 2.463 50 0 BEAARN C[C@@H]1COc2ccccc2N1Cc1ccno1 ZINC000078950523 384473493 /nfs/dbraw/zinc/47/34/93/384473493.db2.gz QQDUYUJFASIVLF-SNVBAGLBSA-N 0 0 230.267 2.462 50 0 BEAARN C[C@H]1COc2ccccc2N1Cc1ccno1 ZINC000078950527 384473999 /nfs/dbraw/zinc/47/39/99/384473999.db2.gz QQDUYUJFASIVLF-JTQLQIEISA-N 0 0 230.267 2.462 50 0 BEAARN C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCO1 ZINC000016970911 384476699 /nfs/dbraw/zinc/47/66/99/384476699.db2.gz ZTHUFHDZSOTLRE-ZYHUDNBSSA-N 0 0 225.332 2.250 50 0 BEAARN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OC ZINC000107350526 384485054 /nfs/dbraw/zinc/48/50/54/384485054.db2.gz MSOSVFHZZBTXDD-QJPTWQEYSA-N 0 0 227.348 2.496 50 0 BEAARN CCc1ccc(CNn2cn[nH]c2=S)cc1 ZINC000017744255 384492678 /nfs/dbraw/zinc/49/26/78/384492678.db2.gz FYOFHBSZNKEIJJ-UHFFFAOYSA-N 0 0 234.328 2.247 50 0 BEAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccccc1 ZINC000017968313 384494613 /nfs/dbraw/zinc/49/46/13/384494613.db2.gz QJDASFMHCXUEQK-VXGBXAGGSA-N 0 0 227.263 2.142 50 0 BEAARN O=C(C1=CCCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000098019369 384534409 /nfs/dbraw/zinc/53/44/09/384534409.db2.gz ZOWLLORORZDOLK-OLZOCXBDSA-N 0 0 235.327 2.267 50 0 BEAARN CCN(C)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000071969290 384534495 /nfs/dbraw/zinc/53/44/95/384534495.db2.gz MRJZIUHRZPIXCO-UHFFFAOYSA-N 0 0 235.312 2.230 50 0 BEAARN Cc1ccc(CNC(=O)CCc2ccncc2)o1 ZINC000097436775 384519401 /nfs/dbraw/zinc/51/94/01/384519401.db2.gz NLKCOERZFIBZDE-UHFFFAOYSA-N 0 0 244.294 2.232 50 0 BEAARN CCO[C@H]1CN(C)C[C@@H](c2ccccc2)O1 ZINC000102197080 384519469 /nfs/dbraw/zinc/51/94/69/384519469.db2.gz JGUIJGYNKPSEDJ-QWHCGFSZSA-N 0 0 221.300 2.052 50 0 BEAARN Nc1nnc(-c2cc3ccccc3o2)o1 ZINC000019481800 384524288 /nfs/dbraw/zinc/52/42/88/384524288.db2.gz MCQZCCPTTFOHBP-UHFFFAOYSA-N 0 0 201.185 2.065 50 0 BEAARN Cc1nsc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000098013799 384526207 /nfs/dbraw/zinc/52/62/07/384526207.db2.gz CRVLPIOYCGVEOD-KNVOCYPGSA-N 0 0 229.374 2.177 50 0 BEAARN COc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019606948 384528540 /nfs/dbraw/zinc/52/85/40/384528540.db2.gz WHZJSOHQIFDERC-RYUDHWBXSA-N 0 0 235.327 2.304 50 0 BEAARN Cc1cc(C)c(C)c(OCCN2CCOCC2)c1 ZINC000019638811 384532762 /nfs/dbraw/zinc/53/27/62/384532762.db2.gz HGGSUTCZSZMTLJ-UHFFFAOYSA-N 0 0 249.354 2.323 50 0 BEAARN Cc1noc(-c2ccc(N(C)C(C)C)nc2)n1 ZINC000019853087 384546674 /nfs/dbraw/zinc/54/66/74/384546674.db2.gz FKHPPLZKFBFKKD-UHFFFAOYSA-N 0 0 232.287 2.285 50 0 BEAARN CC(C)(C)[C@@H](NC(=O)c1ccn[nH]1)C(F)(F)F ZINC000073134966 384551495 /nfs/dbraw/zinc/55/14/95/384551495.db2.gz UHTQQSTUPBZDOQ-MRVPVSSYSA-N 0 0 249.236 2.117 50 0 BEAARN Clc1cccnc1OC1CCOCC1 ZINC000097758335 384553726 /nfs/dbraw/zinc/55/37/26/384553726.db2.gz YHMIHIRRCHTDQS-UHFFFAOYSA-N 0 0 213.664 2.293 50 0 BEAARN COC(=O)Cc1ccc(F)c(Cl)c1 ZINC000097756779 384554268 /nfs/dbraw/zinc/55/42/68/384554268.db2.gz GDDBZVXLBDASMB-UHFFFAOYSA-N 0 0 202.612 2.195 50 0 BEAARN CC(C)(C)OC(=O)N1CC(c2ccncc2)C1 ZINC000138662296 384582458 /nfs/dbraw/zinc/58/24/58/384582458.db2.gz XOFZFUXASNYHTB-UHFFFAOYSA-N 0 0 234.299 2.416 50 0 BEAARN COc1cc(C(C)=O)c(F)c(F)c1C ZINC000098210783 384605399 /nfs/dbraw/zinc/60/53/99/384605399.db2.gz ATXZTBZNVVQIAR-UHFFFAOYSA-N 0 0 200.184 2.484 50 0 BEAARN COC(=O)[C@H]1CC(=S)N(Cc2ccccc2)C1 ZINC000020358011 384613779 /nfs/dbraw/zinc/61/37/79/384613779.db2.gz GNDZSDHDZGZERP-NSHDSACASA-N 0 0 249.335 2.009 50 0 BEAARN CNc1nccc(-c2ccc(F)cc2)n1 ZINC000016189504 384615385 /nfs/dbraw/zinc/61/53/85/384615385.db2.gz VLJVUDRKTMCOLM-UHFFFAOYSA-N 0 0 203.220 2.324 50 0 BEAARN Cc1cnn([C@H](C)c2ccsc2)c1N ZINC000050345085 384619348 /nfs/dbraw/zinc/61/93/48/384619348.db2.gz NWIDZNXGFKMKLF-MRVPVSSYSA-N 0 0 207.302 2.445 50 0 BEAARN O=C1Nc2ccccc2C12Nc1ccccc1N2 ZINC000005177232 384619912 /nfs/dbraw/zinc/61/99/12/384619912.db2.gz WOQKEPRJUBDJAS-UHFFFAOYSA-N 0 0 237.262 2.329 50 0 BEAARN CO[C@]1(C)C[C@H](NC(=O)[C@H](C)SC)C1(C)C ZINC000073269032 384622013 /nfs/dbraw/zinc/62/20/13/384622013.db2.gz SCJMDUOOKIPMPJ-HOTUBEGUSA-N 0 0 245.388 2.058 50 0 BEAARN COCCSCCc1nc2ccccc2[nH]1 ZINC000585135268 384629351 /nfs/dbraw/zinc/62/93/51/384629351.db2.gz NYSLOWZQDFVLSH-UHFFFAOYSA-N 0 0 236.340 2.485 50 0 BEAARN CN(Cc1ccno1)[C@@H](CCO)c1ccccc1 ZINC000072772812 384593349 /nfs/dbraw/zinc/59/33/49/384593349.db2.gz ANSVMSRUTQCYFJ-AWEZNQCLSA-N 0 0 246.310 2.230 50 0 BEAARN FC(F)(F)c1nnc(Br)s1 ZINC000021304395 384663256 /nfs/dbraw/zinc/66/32/56/384663256.db2.gz LGTVLLPQCMJOGT-UHFFFAOYSA-N 0 0 233.012 2.319 50 0 BEAARN COC(=O)c1cc(F)cc(-c2ccc(N)nc2)c1 ZINC000082046483 384645476 /nfs/dbraw/zinc/64/54/76/384645476.db2.gz IWSQDIMVXVHITJ-UHFFFAOYSA-N 0 0 246.241 2.257 50 0 BEAARN CCCC(=O)N(Cc1ccncc1)C1CC1 ZINC000050821844 384646137 /nfs/dbraw/zinc/64/61/37/384646137.db2.gz WFQTZVKRBLDEEQ-UHFFFAOYSA-N 0 0 218.300 2.373 50 0 BEAARN CC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000082160673 384648278 /nfs/dbraw/zinc/64/82/78/384648278.db2.gz VXPCTIGKKLFXIH-JTQLQIEISA-N 0 0 227.304 2.365 50 0 BEAARN CC(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000082168596 384651039 /nfs/dbraw/zinc/65/10/39/384651039.db2.gz UIFQDMYKSAIEGV-UHFFFAOYSA-N 0 0 219.162 2.369 50 0 BEAARN COC(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000021304791 384662618 /nfs/dbraw/zinc/66/26/18/384662618.db2.gz CLKBQIFUKHNMQY-UHFFFAOYSA-N 0 0 219.162 2.074 50 0 BEAARN O=C1C[C@H]2Sc3ccc(Cl)cc3N=C2N1 ZINC000101732396 384685525 /nfs/dbraw/zinc/68/55/25/384685525.db2.gz FIBMIUFYLLAFCX-MRVPVSSYSA-N 0 0 238.699 2.364 50 0 BEAARN C[C@@H]1C[C@H]1NC(=O)c1ccc(OCC2CC2)nc1 ZINC000072094946 384726615 /nfs/dbraw/zinc/72/66/15/384726615.db2.gz GPFOJYWBQSDTJK-BXKDBHETSA-N 0 0 246.310 2.009 50 0 BEAARN COC(=O)c1[nH]cc(-c2ccccc2)c1N ZINC000021774628 384690541 /nfs/dbraw/zinc/69/05/41/384690541.db2.gz KWILITAPDAJQFX-UHFFFAOYSA-N 0 0 216.240 2.051 50 0 BEAARN CC(C)n1cc(NCC2=CCCOC2)cn1 ZINC000125132433 384698617 /nfs/dbraw/zinc/69/86/17/384698617.db2.gz FUKCPWCZBUWGOL-UHFFFAOYSA-N 0 0 221.304 2.223 50 0 BEAARN Cc1cnc(NC(=O)[C@@H]2CC2(F)F)s1 ZINC000294344502 384699441 /nfs/dbraw/zinc/69/94/41/384699441.db2.gz GCNCPXZTOQGWNB-YFKPBYRVSA-N 0 0 218.228 2.045 50 0 BEAARN N[C@@]1(C(F)(F)F)CCc2ccccc21 ZINC000082670808 384700774 /nfs/dbraw/zinc/70/07/74/384700774.db2.gz BVHDBTDFAYSBCV-VIFPVBQESA-N 0 0 201.191 2.349 50 0 BEAARN COC(=O)c1ccoc1CS[C@@H](C)[C@H](C)O ZINC000079065024 384713687 /nfs/dbraw/zinc/71/36/87/384713687.db2.gz UBRCEEUCLGYNAI-YUMQZZPRSA-N 0 0 244.312 2.069 50 0 BEAARN CC[N@H+](CCC(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000086754510 384775615 /nfs/dbraw/zinc/77/56/15/384775615.db2.gz DHLLPZQINTWUQI-SNVBAGLBSA-N 0 0 237.299 2.250 50 0 BEAARN COc1cccc([C@H](C)[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000086789428 384777455 /nfs/dbraw/zinc/77/74/55/384777455.db2.gz YYDATWWTDCKDSK-JQWIXIFHSA-N 0 0 249.310 2.163 50 0 BEAARN CC(C)=CC(=O)Nc1nc(C(C)=O)cs1 ZINC000022897668 384778973 /nfs/dbraw/zinc/77/89/73/384778973.db2.gz NSNIYMUNTDCEPH-UHFFFAOYSA-N 0 0 224.285 2.250 50 0 BEAARN CC(C)=CC(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000080873507 384728938 /nfs/dbraw/zinc/72/89/38/384728938.db2.gz CKMFFVQSVFEAJI-UHFFFAOYSA-N 0 0 247.273 2.284 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)CC(C)(F)F ZINC000277142268 384729513 /nfs/dbraw/zinc/72/95/13/384729513.db2.gz VXYDRZDHAVISDH-UHFFFAOYSA-N 0 0 217.219 2.010 50 0 BEAARN CC[C@@H](C)N(C)c1cc(C)nc(COC)n1 ZINC000095411582 384731018 /nfs/dbraw/zinc/73/10/18/384731018.db2.gz ITVPVGHXORIGKM-SNVBAGLBSA-N 0 0 223.320 2.166 50 0 BEAARN CC(C)(C)OC(=O)n1cc(CO)c2cccnc21 ZINC000052508024 384734650 /nfs/dbraw/zinc/73/46/50/384734650.db2.gz XPXXDPUPBVIHGK-UHFFFAOYSA-N 0 0 248.282 2.312 50 0 BEAARN C[N@H+](CCCC(=O)[O-])CCc1cccs1 ZINC000082602646 384739052 /nfs/dbraw/zinc/73/90/52/384739052.db2.gz RIUXXABVWDNJFW-UHFFFAOYSA-N 0 0 227.329 2.087 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000082549946 384739705 /nfs/dbraw/zinc/73/97/05/384739705.db2.gz JCPZNJGPDBFYDX-NSHDSACASA-N 0 0 241.237 2.014 50 0 BEAARN O=C(Nc1ncccc1O)c1ccsc1 ZINC000022264160 384750457 /nfs/dbraw/zinc/75/04/57/384750457.db2.gz FXCPDKMHCSBJLZ-UHFFFAOYSA-N 0 0 220.253 2.101 50 0 BEAARN CN(C)c1nc(CNc2ccccc2)ns1 ZINC000083855409 384754655 /nfs/dbraw/zinc/75/46/55/384754655.db2.gz MBSQPEZCBAOJRG-UHFFFAOYSA-N 0 0 234.328 2.216 50 0 BEAARN CC1(C)OC[C@H](COC(=O)c2ccsc2)O1 ZINC000083772799 384756649 /nfs/dbraw/zinc/75/66/49/384756649.db2.gz FTKMCETYNZBDKS-VIFPVBQESA-N 0 0 242.296 2.056 50 0 BEAARN Cc1noc(C)c1CC(=O)NC1CCCCC1 ZINC000022390546 384760204 /nfs/dbraw/zinc/76/02/04/384760204.db2.gz PHQWXARRKDOSMN-UHFFFAOYSA-N 0 0 236.315 2.283 50 0 BEAARN CC/C=C(/C)c1nc(-c2cnccn2)no1 ZINC000084509333 384760546 /nfs/dbraw/zinc/76/05/46/384760546.db2.gz RJIFGRORGSKEBS-YWEYNIOJSA-N 0 0 216.244 2.340 50 0 BEAARN Cc1cc(C)cc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000000496693 384780408 /nfs/dbraw/zinc/78/04/08/384780408.db2.gz MGNQSUMUPWDDEG-ZDUSSCGKSA-N 0 0 233.311 2.212 50 0 BEAARN CCCc1nnc(N2CCSCC2)s1 ZINC000084759083 384766214 /nfs/dbraw/zinc/76/62/14/384766214.db2.gz WAIUPODAGNFIRW-UHFFFAOYSA-N 0 0 229.374 2.044 50 0 BEAARN COc1ccc(-c2cnn(C)c2)cc1C(C)=O ZINC000426487400 384837256 /nfs/dbraw/zinc/83/72/56/384837256.db2.gz NJFPLIDKORRYCZ-UHFFFAOYSA-N 0 0 230.267 2.298 50 0 BEAARN Cc1cc(C(=O)N(C)C)c(Cl)cc1F ZINC000104270781 384818650 /nfs/dbraw/zinc/81/86/50/384818650.db2.gz VKMXLPOKUFNMAU-UHFFFAOYSA-N 0 0 215.655 2.489 50 0 BEAARN Cc1cnc(NC(=O)c2cccc(C)n2)s1 ZINC000024601925 384821547 /nfs/dbraw/zinc/82/15/47/384821547.db2.gz KYUFJUMCBQKNRI-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)NC(C)C)c1 ZINC000024509842 384822661 /nfs/dbraw/zinc/82/26/61/384822661.db2.gz HSGRJAPOQDWCFJ-UHFFFAOYSA-N 0 0 235.287 2.175 50 0 BEAARN Cc1ccc(F)c(NC(=O)C2CCOCC2)c1 ZINC000024637168 384826757 /nfs/dbraw/zinc/82/67/57/384826757.db2.gz DMVAFNHEKACPLT-UHFFFAOYSA-N 0 0 237.274 2.499 50 0 BEAARN Cc1[nH]ccc1C(=O)Nc1ccc(CCO)cc1 ZINC000095417568 384827066 /nfs/dbraw/zinc/82/70/66/384827066.db2.gz HMHIBLAYBGQWOP-UHFFFAOYSA-N 0 0 244.294 2.110 50 0 BEAARN C[C@@H](C(=O)Nc1cnns1)c1ccccc1 ZINC000188205013 384837782 /nfs/dbraw/zinc/83/77/82/384837782.db2.gz FRKLKVCXYQEUNO-MRVPVSSYSA-N 0 0 233.296 2.280 50 0 BEAARN CC(C)CC[C@@H](C)NC(=O)/C=C\c1cnn(C)c1 ZINC000210350450 384832684 /nfs/dbraw/zinc/83/26/84/384832684.db2.gz ZMGJIVISUSCTHE-QDZRJHCZSA-N 0 0 249.358 2.374 50 0 BEAARN CCCc1nc(-c2ccc(OC)nc2OC)c[nH]1 ZINC000426489883 384832854 /nfs/dbraw/zinc/83/28/54/384832854.db2.gz IBTVUTAZYDDTCG-UHFFFAOYSA-N 0 0 247.298 2.441 50 0 BEAARN Cc1cn(-c2ccc(Cl)cc2)nc1N ZINC000054404839 384834466 /nfs/dbraw/zinc/83/44/66/384834466.db2.gz CTXMJVLARGENOG-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000023039762 384781687 /nfs/dbraw/zinc/78/16/87/384781687.db2.gz DRXKPGOFEWGNPE-KOLCDFICSA-N 0 0 247.294 2.442 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CC2(F)F)c(C)n1 ZINC000295081210 384785234 /nfs/dbraw/zinc/78/52/34/384785234.db2.gz WUNIHWVWJINUMS-QMMMGPOBSA-N 0 0 226.226 2.292 50 0 BEAARN COC(=O)c1cc(-c2ccc(F)cc2F)on1 ZINC000026421048 384873607 /nfs/dbraw/zinc/87/36/07/384873607.db2.gz FVQQUERDPUGSJW-UHFFFAOYSA-N 0 0 239.177 2.406 50 0 BEAARN Nc1nnc(-c2ccc(Cl)s2)o1 ZINC000026423858 384873721 /nfs/dbraw/zinc/87/37/21/384873721.db2.gz IISIIFVRALMMOS-UHFFFAOYSA-N 0 0 201.638 2.034 50 0 BEAARN Cc1ccc(C(=O)N[C@H]2CC23CC3)c(F)c1 ZINC000335494400 384880680 /nfs/dbraw/zinc/88/06/80/384880680.db2.gz FTUPWSJDQBFQSM-NSHDSACASA-N 0 0 219.259 2.416 50 0 BEAARN Cc1noc([C@@H](C)Nc2ccc3c(c2)CCO3)n1 ZINC000026995354 384889945 /nfs/dbraw/zinc/88/99/45/384889945.db2.gz OCRPAESCQXXXJX-MRVPVSSYSA-N 0 0 245.282 2.486 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000026870913 384882827 /nfs/dbraw/zinc/88/28/27/384882827.db2.gz SBJOFOGALWNRTD-VXNVDRBHSA-N 0 0 215.256 2.157 50 0 BEAARN NCc1nc(-c2cccc3ccccc32)no1 ZINC000054438350 384840193 /nfs/dbraw/zinc/84/01/93/384840193.db2.gz IWJYEXPQFGPLBW-UHFFFAOYSA-N 0 0 225.251 2.349 50 0 BEAARN CC(C)n1cnnc1-c1ccccc1N ZINC000054498225 384841345 /nfs/dbraw/zinc/84/13/45/384841345.db2.gz YREZVBXQYYNGEB-UHFFFAOYSA-N 0 0 202.261 2.108 50 0 BEAARN CCCc1nc2c(C)nn(CC)c2c(N(C)C)n1 ZINC000072237836 384844053 /nfs/dbraw/zinc/84/40/53/384844053.db2.gz VKYMLOVWTFXANO-UHFFFAOYSA-N 0 0 247.346 2.173 50 0 BEAARN Cc1ccc(C(=O)Nc2cnn(C)c2)s1 ZINC000025311685 384845020 /nfs/dbraw/zinc/84/50/20/384845020.db2.gz JNJWHCQCACGFPH-UHFFFAOYSA-N 0 0 221.285 2.042 50 0 BEAARN Cc1cc(Br)cnc1-n1cccn1 ZINC000084192991 384845831 /nfs/dbraw/zinc/84/58/31/384845831.db2.gz IRXQTISFTVGDCJ-UHFFFAOYSA-N 0 0 238.088 2.338 50 0 BEAARN COc1cc(C(=O)NC2CC2)cc2occc21 ZINC000072240067 384848724 /nfs/dbraw/zinc/84/87/24/384848724.db2.gz ZTDFNDROOHNOJJ-UHFFFAOYSA-N 0 0 231.251 2.334 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)o1 ZINC000023305624 384849484 /nfs/dbraw/zinc/84/94/84/384849484.db2.gz NVWAXOBQFKNDMI-JEZHCXPESA-N 0 0 207.273 2.421 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)o1 ZINC000023305630 384850110 /nfs/dbraw/zinc/85/01/10/384850110.db2.gz NVWAXOBQFKNDMI-UJNFCWOMSA-N 0 0 207.273 2.421 50 0 BEAARN O=c1nc(Nc2ccccc2)oc2ccccc12 ZINC000013658701 384866796 /nfs/dbraw/zinc/86/67/96/384866796.db2.gz NDHHRLYSIAEHKJ-UHFFFAOYSA-N 0 0 238.246 2.354 50 0 BEAARN O=C(c1ncco1)c1ccc(F)c(F)c1 ZINC000085651171 384960878 /nfs/dbraw/zinc/96/08/78/384960878.db2.gz CXSIDTDGYIVEIQ-UHFFFAOYSA-N 0 0 209.151 2.184 50 0 BEAARN C[C@@H](NC(=O)CCc1ccco1)c1ccncc1 ZINC000027407859 384897127 /nfs/dbraw/zinc/89/71/27/384897127.db2.gz BTXYYCHKTDKJFC-LLVKDONJSA-N 0 0 244.294 2.485 50 0 BEAARN CCN(CC)C(=S)S[C@H]1C[C@@H](C)OC1=O ZINC000060882075 384900979 /nfs/dbraw/zinc/90/09/79/384900979.db2.gz LWYQSYPRAPNDIA-SFYZADRCSA-N 0 0 247.385 2.050 50 0 BEAARN O=S(=O)(c1cc(F)ccc1F)C(F)(F)F ZINC000057217626 384933136 /nfs/dbraw/zinc/93/31/36/384933136.db2.gz TZGUTGNHMZPRDW-UHFFFAOYSA-N 0 0 246.156 2.258 50 0 BEAARN C[C@@H](O)[C@H]1CNc2cc(Br)ccc21 ZINC000057219134 384934163 /nfs/dbraw/zinc/93/41/63/384934163.db2.gz BERTXOJABVEMKO-HZGVNTEJSA-N 0 0 242.116 2.339 50 0 BEAARN c1cc(N2CC=CCO2)cc(N2CC=CCO2)c1 ZINC000085367484 384941169 /nfs/dbraw/zinc/94/11/69/384941169.db2.gz AEDAZYDSALCGOC-UHFFFAOYSA-N 0 0 244.294 2.302 50 0 BEAARN C[C@H](NC(=O)NCC1CCCC1)C1CC1 ZINC000078554364 384943678 /nfs/dbraw/zinc/94/36/78/384943678.db2.gz IJJUZCZRFNSNTD-VIFPVBQESA-N 0 0 210.321 2.274 50 0 BEAARN Cc1ccc(CNC(=O)OCC(F)(F)F)cn1 ZINC000057992107 384976602 /nfs/dbraw/zinc/97/66/02/384976602.db2.gz HPAIDWPIEGCJQI-UHFFFAOYSA-N 0 0 248.204 2.179 50 0 BEAARN Cc1ccc(C)c(OCC(=O)NC2CC2)c1C ZINC000028942689 384977800 /nfs/dbraw/zinc/97/78/00/384977800.db2.gz WRIFXNAFASQQOE-UHFFFAOYSA-N 0 0 233.311 2.269 50 0 BEAARN FC(F)(F)c1cc(C2CC2)nc2ncnn21 ZINC000072334097 384977911 /nfs/dbraw/zinc/97/79/11/384977911.db2.gz PLGOUPPLPDAFTJ-UHFFFAOYSA-N 0 0 228.177 2.021 50 0 BEAARN O=C(CCCn1ccnc1)Nc1ccccc1F ZINC000058046440 384979346 /nfs/dbraw/zinc/97/93/46/384979346.db2.gz PWCUZVNVJSFSNJ-UHFFFAOYSA-N 0 0 247.273 2.441 50 0 BEAARN CCCC(=O)N(C)CCOc1ccccc1 ZINC000058031277 384980216 /nfs/dbraw/zinc/98/02/16/384980216.db2.gz DBAOMHIDAPOLBE-UHFFFAOYSA-N 0 0 221.300 2.324 50 0 BEAARN Fc1cccc(-c2cnc(Cn3ccnn3)o2)c1 ZINC000128075212 384989954 /nfs/dbraw/zinc/98/99/54/384989954.db2.gz VAVQKMZZKRFRLV-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN Cc1oc(-c2cccs2)nc1Cn1ccnn1 ZINC000128063381 384990117 /nfs/dbraw/zinc/99/01/17/384990117.db2.gz JDCVZUIEJVHTDE-UHFFFAOYSA-N 0 0 246.295 2.351 50 0 BEAARN COC[C@H](C)NC(=O)Nc1ccc(F)cc1C ZINC000058282672 384993477 /nfs/dbraw/zinc/99/34/77/384993477.db2.gz NLVGKUXKBJJFFI-VIFPVBQESA-N 0 0 240.278 2.291 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1ccc(F)cc1C ZINC000058282673 384993863 /nfs/dbraw/zinc/99/38/63/384993863.db2.gz NLVGKUXKBJJFFI-SECBINFHSA-N 0 0 240.278 2.291 50 0 BEAARN CC/C=C(/C)C(=O)NCc1cccnc1 ZINC000058291072 384995472 /nfs/dbraw/zinc/99/54/72/384995472.db2.gz ATNNCEIDEPAORL-YHYXMXQVSA-N 0 0 204.273 2.054 50 0 BEAARN CCO[C@@H](C)C(=O)NCc1sccc1C ZINC000058330591 384997333 /nfs/dbraw/zinc/99/73/33/384997333.db2.gz JLOFDTUGOQUDQB-VIFPVBQESA-N 0 0 227.329 2.098 50 0 BEAARN CCN(CC)C(=O)CNc1ccccc1C ZINC000058342070 384999929 /nfs/dbraw/zinc/99/99/29/384999929.db2.gz DJHKSRHSJIQDKE-UHFFFAOYSA-N 0 0 220.316 2.275 50 0 BEAARN Cc1cc(Cl)ccc1NC(=O)N[C@@H](C)CO ZINC000058342197 385001017 /nfs/dbraw/zinc/00/10/17/385001017.db2.gz WRQQVRLYKNFSKJ-QMMMGPOBSA-N 0 0 242.706 2.151 50 0 BEAARN O=Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000029753745 385005437 /nfs/dbraw/zinc/00/54/37/385005437.db2.gz KZSQRUZLWCOUOV-UHFFFAOYSA-N 0 0 214.146 2.394 50 0 BEAARN CCCCC(=O)NCC1(O)CCCCCC1 ZINC000072288715 385007446 /nfs/dbraw/zinc/00/74/46/385007446.db2.gz CVRIJBKASAALNC-UHFFFAOYSA-N 0 0 227.348 2.378 50 0 BEAARN CC(C)(C)OC(=O)N1CC(c2cccnc2)C1 ZINC000261506818 385010324 /nfs/dbraw/zinc/01/03/24/385010324.db2.gz BGARHTOLGVQAEP-UHFFFAOYSA-N 0 0 234.299 2.416 50 0 BEAARN COC[C@@H](C)NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299853 385014251 /nfs/dbraw/zinc/01/42/51/385014251.db2.gz GDINEBSEGYTQTL-SECBINFHSA-N 0 0 247.298 2.324 50 0 BEAARN CCCCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000030513517 385019425 /nfs/dbraw/zinc/01/94/25/385019425.db2.gz PZDWANSOFDATBY-UHFFFAOYSA-N 0 0 233.271 2.200 50 0 BEAARN C[S@](=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000072298060 385058313 /nfs/dbraw/zinc/05/83/13/385058313.db2.gz XDEVNGQAFYMRJU-MRXNPFEDSA-N 0 0 239.340 2.409 50 0 BEAARN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000059979425 385060675 /nfs/dbraw/zinc/06/06/75/385060675.db2.gz ISZLPPFTZXTGHT-AXFHLTTASA-N 0 0 241.331 2.014 50 0 BEAARN COC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000030769214 385024835 /nfs/dbraw/zinc/02/48/35/385024835.db2.gz KKTZMJBNTHXASE-UHFFFAOYSA-N 0 0 230.267 2.480 50 0 BEAARN O=C(C1CC=CC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072293483 385026877 /nfs/dbraw/zinc/02/68/77/385026877.db2.gz ZCXMDOXWWNEING-LBPRGKRZSA-N 0 0 245.326 2.082 50 0 BEAARN Cc1nc(Br)c(N)c(C)c1C ZINC000095533168 385028032 /nfs/dbraw/zinc/02/80/32/385028032.db2.gz WLIVTFUPLCLWQY-UHFFFAOYSA-N 0 0 215.094 2.352 50 0 BEAARN Nc1ccc(-n2cnc(Cl)c2Cl)nc1 ZINC000061714979 385134899 /nfs/dbraw/zinc/13/48/99/385134899.db2.gz GDGQHMFYAHDYJE-UHFFFAOYSA-N 0 0 229.070 2.156 50 0 BEAARN CCONC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000048324726 385184589 /nfs/dbraw/zinc/18/45/89/385184589.db2.gz PLDKEUMNXBDNMY-ZJUUUORDSA-N 0 0 211.305 2.293 50 0 BEAARN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc[nH]c1=O ZINC000031384918 385188945 /nfs/dbraw/zinc/18/89/45/385188945.db2.gz NXORIIFNRQVBQN-ZYHUDNBSSA-N 0 0 248.326 2.026 50 0 BEAARN CCC(O)(CC)CCCC1(C)OCCO1 ZINC000044125757 385194018 /nfs/dbraw/zinc/19/40/18/385194018.db2.gz XNSMXJUTKOXUHP-UHFFFAOYSA-N 0 0 216.321 2.471 50 0 BEAARN CSCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000033028706 385197461 /nfs/dbraw/zinc/19/74/61/385197461.db2.gz WEJVIVQDRMLGCH-DTWKUNHWSA-N 0 0 201.335 2.044 50 0 BEAARN Cc1noc(-c2ccc(Br)o2)n1 ZINC000061957942 385148080 /nfs/dbraw/zinc/14/80/80/385148080.db2.gz JKWYFVZEEMVBLJ-UHFFFAOYSA-N 0 0 229.033 2.401 50 0 BEAARN Cc1noc(-c2cncc(Br)c2)n1 ZINC000061957943 385148985 /nfs/dbraw/zinc/14/89/85/385148985.db2.gz HJKGVCYLZLWOGD-UHFFFAOYSA-N 0 0 240.060 2.203 50 0 BEAARN Cc1cc(C)cc(C(=O)NCC2(O)CCCC2)c1 ZINC000044158329 385156217 /nfs/dbraw/zinc/15/62/17/385156217.db2.gz NHGRJLWVVFUFNB-UHFFFAOYSA-N 0 0 247.338 2.338 50 0 BEAARN Cc1ccc(NC[C@H](O)Cc2ccccc2)nc1 ZINC000096429415 385165304 /nfs/dbraw/zinc/16/53/04/385165304.db2.gz MURRIEJTTNHJLO-CQSZACIVSA-N 0 0 242.322 2.406 50 0 BEAARN CCSCC[C@H](C)NC(=O)c1cccn1C ZINC000096433091 385167261 /nfs/dbraw/zinc/16/72/61/385167261.db2.gz OHFSYEPIOWKONW-JTQLQIEISA-N 0 0 240.372 2.287 50 0 BEAARN C[C@H](O)CCN(C)C(=O)Nc1cccc(F)c1 ZINC000096441332 385168512 /nfs/dbraw/zinc/16/85/12/385168512.db2.gz VRGIHIQLSMLRMZ-VIFPVBQESA-N 0 0 240.278 2.060 50 0 BEAARN c1cn(Cc2ccc(-c3cn[nH]c3)cc2)cn1 ZINC000032533056 385170146 /nfs/dbraw/zinc/17/01/46/385170146.db2.gz ITCQESGIOUXJBZ-UHFFFAOYSA-N 0 0 224.267 2.322 50 0 BEAARN CSC[C@H](C)OC(=O)c1ccoc1C ZINC000096452577 385175317 /nfs/dbraw/zinc/17/53/17/385175317.db2.gz PRYURARLPHBJFZ-ZETCQYMHSA-N 0 0 214.286 2.496 50 0 BEAARN Cc1occc1C(=O)OCC[C@@H]1CCCO1 ZINC000096453102 385175798 /nfs/dbraw/zinc/17/57/98/385175798.db2.gz KDINNICJJCFESV-JTQLQIEISA-N 0 0 224.256 2.314 50 0 BEAARN COc1cccc2[nH]c3c(ncnc3OC)c21 ZINC000005561714 385177745 /nfs/dbraw/zinc/17/77/45/385177745.db2.gz XCVQDTKHUVMOFA-UHFFFAOYSA-N 0 0 229.239 2.128 50 0 BEAARN CC(C)c1ccc2c(c1)C(=O)[C@H](N)CCO2 ZINC000062626077 385178226 /nfs/dbraw/zinc/17/82/26/385178226.db2.gz HBMVBSCPNRYQBI-LLVKDONJSA-N 0 0 219.284 2.103 50 0 BEAARN CC[C@@H](C(=O)N1CCC(O)CC1)c1ccccc1 ZINC000032732159 385180849 /nfs/dbraw/zinc/18/08/49/385180849.db2.gz GQWWAPWXFCXPEI-CQSZACIVSA-N 0 0 247.338 2.164 50 0 BEAARN C[C@H](Cc1ccc(O)cc1)N(C)c1ncccn1 ZINC000096485317 385221266 /nfs/dbraw/zinc/22/12/66/385221266.db2.gz XVBGMPRBASDJSC-LLVKDONJSA-N 0 0 243.310 2.250 50 0 BEAARN O=C(CO)N[C@@H](CC1CCC1)c1ccccc1 ZINC000096496665 385230396 /nfs/dbraw/zinc/23/03/96/385230396.db2.gz KCTYEIHMPMYFGE-ZDUSSCGKSA-N 0 0 233.311 2.026 50 0 BEAARN Cc1ccc([C@H](C)NCc2nnnn2C(C)C)o1 ZINC000096502744 385240215 /nfs/dbraw/zinc/24/02/15/385240215.db2.gz DYGSMQNASQYATI-JTQLQIEISA-N 0 0 249.318 2.006 50 0 BEAARN Cc1ccc(O[C@H](C)C(=O)N(C)C)cc1C ZINC000008480220 385245201 /nfs/dbraw/zinc/24/52/01/385245201.db2.gz GGPJSJQBYKIWGR-LLVKDONJSA-N 0 0 221.300 2.159 50 0 BEAARN Cc1occc1[S@](=O)[C@H](C)c1cnccn1 ZINC000189657124 385249743 /nfs/dbraw/zinc/24/97/43/385249743.db2.gz LUPAJHQDXJBRKD-JDNHERCYSA-N 0 0 236.296 2.247 50 0 BEAARN CNc1ccc(Nc2ncc(SC)cn2)cn1 ZINC000225822846 385252985 /nfs/dbraw/zinc/25/29/85/385252985.db2.gz CVPRDLHFMVBNKC-UHFFFAOYSA-N 0 0 247.327 2.379 50 0 BEAARN Cc1ccncc1-n1ccc(-c2cnccn2)n1 ZINC000065394095 385303555 /nfs/dbraw/zinc/30/35/55/385303555.db2.gz OICFOCSQSWYZAW-UHFFFAOYSA-N 0 0 237.266 2.033 50 0 BEAARN CCCc1n[nH]c(=O)n1-c1ccccc1Cl ZINC000065374501 385304913 /nfs/dbraw/zinc/30/49/13/385304913.db2.gz OYDAKNIAGGQRJM-UHFFFAOYSA-N 0 0 237.690 2.167 50 0 BEAARN CCNc1ccnc(-c2ccc(F)c(CO)c2)n1 ZINC000065396597 385306446 /nfs/dbraw/zinc/30/64/46/385306446.db2.gz JWNQWHYQSVFUDL-UHFFFAOYSA-N 0 0 247.273 2.207 50 0 BEAARN CCCc1nc(-c2nnc(C)[nH]2)cs1 ZINC000065419506 385310274 /nfs/dbraw/zinc/31/02/74/385310274.db2.gz IQCJTLVDSXIXON-UHFFFAOYSA-N 0 0 208.290 2.189 50 0 BEAARN Cc1cc(=O)c2cc(-n3ccnc3)ccc2[nH]1 ZINC000065461863 385315165 /nfs/dbraw/zinc/31/51/65/385315165.db2.gz SPWDNQPAQKLXGO-UHFFFAOYSA-N 0 0 225.251 2.022 50 0 BEAARN c1ccc(SCCN2CCOCC2)cc1 ZINC000019811418 385315399 /nfs/dbraw/zinc/31/53/99/385315399.db2.gz QDTNFZGZGSMNCU-UHFFFAOYSA-N 0 0 223.341 2.111 50 0 BEAARN O=C1[C@H]2CCCCN2C(=O)N1c1ccccc1 ZINC000033985785 385272455 /nfs/dbraw/zinc/27/24/55/385272455.db2.gz QWAOLYQIJVREPT-LLVKDONJSA-N 0 0 230.267 2.008 50 0 BEAARN COC(=O)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000000462846 385280253 /nfs/dbraw/zinc/28/02/53/385280253.db2.gz OOJBQCYQQKKNQR-CYBMUJFWSA-N 0 0 228.247 2.316 50 0 BEAARN COc1ncccc1NC(=O)OC(C)(C)C ZINC000034623688 385287628 /nfs/dbraw/zinc/28/76/28/385287628.db2.gz SJYKVVNRRFYDSS-UHFFFAOYSA-N 0 0 224.260 2.437 50 0 BEAARN CC[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000095162537 385343266 /nfs/dbraw/zinc/34/32/66/385343266.db2.gz SLWHXRPOKPFBSN-MRVPVSSYSA-N 0 0 218.260 2.044 50 0 BEAARN Cc1n[nH]c(C)c1CN1CCC=C(F)C1 ZINC000274493532 385405123 /nfs/dbraw/zinc/40/51/23/385405123.db2.gz POFVGARDALTPFT-UHFFFAOYSA-N 0 0 209.268 2.086 50 0 BEAARN O=Cc1ccc(N2CC(F)(F)C2)c(F)c1 ZINC000169725240 385418388 /nfs/dbraw/zinc/41/83/88/385418388.db2.gz GPPHMEANQQTDLZ-UHFFFAOYSA-N 0 0 215.174 2.094 50 0 BEAARN O=Cc1ccc(N2CCSC2)c(F)c1 ZINC000169725242 385418621 /nfs/dbraw/zinc/41/86/21/385418621.db2.gz UBNALWLWDJNZSX-UHFFFAOYSA-N 0 0 211.261 2.149 50 0 BEAARN O=Cc1ccncc1OCCC(F)(F)F ZINC000169725595 385419055 /nfs/dbraw/zinc/41/90/55/385419055.db2.gz OHFBQDZRNOCPMV-UHFFFAOYSA-N 0 0 219.162 2.225 50 0 BEAARN O=c1[nH]c(Nc2cccc(F)c2)nc2c1CCC2 ZINC000005009589 385455636 /nfs/dbraw/zinc/45/56/36/385455636.db2.gz KIOINAMWVYFJDZ-UHFFFAOYSA-N 0 0 245.257 2.141 50 0 BEAARN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc[nH]1 ZINC000584907092 385465295 /nfs/dbraw/zinc/46/52/95/385465295.db2.gz OMWKTPXHLRZROD-HIFRSBDPSA-N 0 0 240.306 2.475 50 0 BEAARN CC(=O)c1cc(C(=O)NC2CCCCC2)n(C)c1 ZINC000012874036 385499693 /nfs/dbraw/zinc/49/96/93/385499693.db2.gz IHUGKNHWNQTNTA-UHFFFAOYSA-N 0 0 248.326 2.290 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CCOC2)CC1 ZINC000075629408 385607192 /nfs/dbraw/zinc/60/71/92/385607192.db2.gz JHFMRJOXVOCJJQ-UHFFFAOYSA-N 0 0 241.331 2.424 50 0 in-vitro BEAARN C[C@@H](C(=O)NCC1CCOCC1)c1ccccc1 ZINC000182519476 385676017 /nfs/dbraw/zinc/67/60/17/385676017.db2.gz QHGYXAQUYKSZTK-GFCCVEGCSA-N 0 0 247.338 2.333 50 0 BEAARN C/C=C\C(=O)OCC(=O)c1ccc(C)cc1 ZINC000006015883 385685578 /nfs/dbraw/zinc/68/55/78/385685578.db2.gz JUVMFYQAICZITE-ARJAWSKDSA-N 0 0 218.252 2.297 50 0 BEAARN Cc1cc(C(=O)N2[C@H](C)COC[C@H]2C)c(C)o1 ZINC000000999812 385713627 /nfs/dbraw/zinc/71/36/27/385713627.db2.gz LPMCJOCJENMJSX-RKDXNWHRSA-N 0 0 237.299 2.146 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000116351636 385730661 /nfs/dbraw/zinc/73/06/61/385730661.db2.gz BABIPUDCGCCMRP-SNVBAGLBSA-N 0 0 225.313 2.360 50 0 BEAARN FC(F)(F)c1ccn(Cc2cccnc2)n1 ZINC000129146174 385733586 /nfs/dbraw/zinc/73/35/86/385733586.db2.gz IONJKIVWOKSDDE-UHFFFAOYSA-N 0 0 227.189 2.345 50 0 BEAARN FC[C@H]1CCCN1Cc1cscn1 ZINC000293082377 385734075 /nfs/dbraw/zinc/73/40/75/385734075.db2.gz OYHZNLDQJHZPQO-SECBINFHSA-N 0 0 200.282 2.077 50 0 BEAARN Cc1cnc(NCC2([C@H](O)C(C)C)CC2)nc1C ZINC000271874405 385856388 /nfs/dbraw/zinc/85/63/88/385856388.db2.gz SRZPLOXLYGVJSZ-GFCCVEGCSA-N 0 0 249.358 2.302 50 0 BEAARN O=C(NC1(C(F)F)CC1)[C@@]12C[C@@H]1CCC2 ZINC000335034397 385924222 /nfs/dbraw/zinc/92/42/22/385924222.db2.gz QWWUBSZCFPBBIY-XVKPBYJWSA-N 0 0 215.243 2.091 50 0 BEAARN CC/C=C/CCn1cc(NC(C)=O)cn1 ZINC000408525150 385862561 /nfs/dbraw/zinc/86/25/61/385862561.db2.gz NGWSHMAIIHFOAZ-SNAWJCMRSA-N 0 0 207.277 2.198 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000262677905 385873002 /nfs/dbraw/zinc/87/30/02/385873002.db2.gz UULAQUWBKLGTQA-LOWVWBTDSA-N 0 0 233.311 2.338 50 0 BEAARN CCCc1cnc(-c2ccc(C(N)=O)cc2)nc1 ZINC000032551038 385985260 /nfs/dbraw/zinc/98/52/60/385985260.db2.gz GRLANACVOUIHJB-UHFFFAOYSA-N 0 0 241.294 2.195 50 0 BEAARN O=C1c2ccccc2N[C@H]2C=CC(Cl)=NN12 ZINC000045922676 385937509 /nfs/dbraw/zinc/93/75/09/385937509.db2.gz VNNJNNJOCCHPNQ-SNVBAGLBSA-N 0 0 233.658 2.003 50 0 BEAARN CCO[C@@H](C)c1nccn1Cc1nccs1 ZINC000095977992 386014315 /nfs/dbraw/zinc/01/43/15/386014315.db2.gz SYGZLUUGXSBBEO-VIFPVBQESA-N 0 0 237.328 2.485 50 0 BEAARN CNC(=O)c1ccc(/C=C\c2ccncn2)cc1 ZINC000221696430 386015301 /nfs/dbraw/zinc/01/53/01/386015301.db2.gz VWDCIDAAMLKSDJ-DAXSKMNVSA-N 0 0 239.278 2.007 50 0 BEAARN CSCC(=O)Nc1ccc(C)c(F)c1 ZINC000033005432 386018554 /nfs/dbraw/zinc/01/85/54/386018554.db2.gz LFUBWMAWCPUPJU-UHFFFAOYSA-N 0 0 213.277 2.436 50 0 BEAARN CN(Cc1cccs1)C(=O)[C@]1(C)C[C@H]1F ZINC000335070647 386019021 /nfs/dbraw/zinc/01/90/21/386019021.db2.gz SEYZUBFZFBEDFP-MWLCHTKSSA-N 0 0 227.304 2.455 50 0 BEAARN O=C(C1=CCC1)N1CCCC[C@@H]1C(F)F ZINC000334422218 386028428 /nfs/dbraw/zinc/02/84/28/386028428.db2.gz BUKIASDBXPCALG-SECBINFHSA-N 0 0 215.243 2.353 50 0 BEAARN Cc1noc(-c2ccc3nc(C)[nH]c3c2)n1 ZINC000019113754 386104456 /nfs/dbraw/zinc/10/44/56/386104456.db2.gz AHIBZBFTSIMLQA-UHFFFAOYSA-N 0 0 214.228 2.230 50 0 BEAARN CC(C)C(=O)N[C@H](C)CCc1ccco1 ZINC000052841424 386119637 /nfs/dbraw/zinc/11/96/37/386119637.db2.gz GNHLDXWNNHQEJB-SNVBAGLBSA-N 0 0 209.289 2.373 50 0 BEAARN Nc1cc(F)cc(F)c1OC(F)(F)F ZINC000263625189 386158719 /nfs/dbraw/zinc/15/87/19/386158719.db2.gz XOIQEICEBAHGRV-UHFFFAOYSA-N 0 0 213.105 2.446 50 0 BEAARN C=Cc1ccc(C(=O)Oc2cnn(C)c2)cc1 ZINC000225391543 386190384 /nfs/dbraw/zinc/19/03/84/386190384.db2.gz KIJQJTJXBRXRDB-UHFFFAOYSA-N 0 0 228.251 2.282 50 0 BEAARN Cc1nnc(CSc2ccccn2)o1 ZINC000040024270 386164775 /nfs/dbraw/zinc/16/47/75/386164775.db2.gz FKOPFTDMZZJKMB-UHFFFAOYSA-N 0 0 207.258 2.065 50 0 BEAARN COC(=O)[C@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000225559476 386201941 /nfs/dbraw/zinc/20/19/41/386201941.db2.gz VWPJQLPZFIYXCG-SSDOTTSWSA-N 0 0 249.093 2.242 50 0 BEAARN CC[C@H](O)c1nccn1Cc1ccccc1 ZINC000225654852 386211121 /nfs/dbraw/zinc/21/11/21/386211121.db2.gz GIKHXYBQMPTBCX-LBPRGKRZSA-N 0 0 216.284 2.375 50 0 BEAARN COn1c2cccnc2nc1-c1ccc(C)cc1 ZINC000001400187 386225103 /nfs/dbraw/zinc/22/51/03/386225103.db2.gz FNZDMFGGCYRTCR-UHFFFAOYSA-N 0 0 239.278 2.465 50 0 BEAARN Cn1cc(-c2csc(-c3cnccn3)n2)cn1 ZINC000225411275 386192190 /nfs/dbraw/zinc/19/21/90/386192190.db2.gz RRUNADPLOAFPSN-UHFFFAOYSA-N 0 0 243.295 2.001 50 0 BEAARN CCc1ccc(-c2nc(-c3cnccn3)no2)o1 ZINC000225463061 386195081 /nfs/dbraw/zinc/19/50/81/386195081.db2.gz UITYYGAQUBJWBW-UHFFFAOYSA-N 0 0 242.238 2.349 50 0 BEAARN O=C(c1cccnc1Cl)C(F)(F)F ZINC000082046871 386314703 /nfs/dbraw/zinc/31/47/03/386314703.db2.gz OLKLTNDTKRJFEF-UHFFFAOYSA-N 0 0 209.554 2.480 50 0 BEAARN C[C@H]1C[C@@H](NC(=O)CC(C)(F)F)CS1 ZINC000335268511 386350517 /nfs/dbraw/zinc/35/05/17/386350517.db2.gz UEAPVCMEEPNAOO-NKWVEPMBSA-N 0 0 223.288 2.042 50 0 BEAARN CC(C)C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000150754492 386396885 /nfs/dbraw/zinc/39/68/85/386396885.db2.gz LLVDNIOQLHCYOA-SNVBAGLBSA-N 0 0 246.310 2.264 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000012398736 386434176 /nfs/dbraw/zinc/43/41/76/386434176.db2.gz NACWGDDPPILITO-GFCCVEGCSA-N 0 0 237.274 2.437 50 0 BEAARN Cc1c2c(ccc1Br)CNC2=O ZINC000238504701 386491306 /nfs/dbraw/zinc/49/13/06/386491306.db2.gz VKWDKEYQJBHVQU-UHFFFAOYSA-N 0 0 226.073 2.001 50 0 BEAARN Nc1cc(Br)c(Cl)cc1O ZINC000238598804 386508701 /nfs/dbraw/zinc/50/87/01/386508701.db2.gz FXDRSNMVNIIREK-UHFFFAOYSA-N 0 0 222.469 2.390 50 0 BEAARN CSCCC(=O)NCC1(C(C)C)CC1 ZINC000177381972 386544521 /nfs/dbraw/zinc/54/45/21/386544521.db2.gz JSWGNDINBKKCRE-UHFFFAOYSA-N 0 0 215.362 2.292 50 0 BEAARN Cc1nsc(NCC2CC(F)(F)C2)n1 ZINC000291630167 386619839 /nfs/dbraw/zinc/61/98/39/386619839.db2.gz AIJCTSWERSOXHU-UHFFFAOYSA-N 0 0 219.260 2.304 50 0 BEAARN O=C(c1ccccc1)N1CC(CC(F)F)C1 ZINC000335487897 386603729 /nfs/dbraw/zinc/60/37/29/386603729.db2.gz IHCIHJREGQSZPD-UHFFFAOYSA-N 0 0 225.238 2.414 50 0 BEAARN CC1(C)C[C@H]1C(=O)NCCc1ccc(O)cc1 ZINC000228727924 386607838 /nfs/dbraw/zinc/60/78/38/386607838.db2.gz RNIWLTQLYVCFEA-LBPRGKRZSA-N 0 0 233.311 2.097 50 0 BEAARN CC(C)Oc1ccccc1CN1CC(C)(O)C1 ZINC000585116817 386672297 /nfs/dbraw/zinc/67/22/97/386672297.db2.gz JNFIPNOGCGLMHE-UHFFFAOYSA-N 0 0 235.327 2.040 50 0 BEAARN COc1ncccc1C(=O)Nc1ccccc1 ZINC000012906890 386678017 /nfs/dbraw/zinc/67/80/17/386678017.db2.gz BCAHDDUNFAEITQ-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN Nc1c(Br)cccc1-c1cn[nH]c1 ZINC000228984305 386658100 /nfs/dbraw/zinc/65/81/00/386658100.db2.gz SHPLHVOPTMOMFD-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN [O-][n+]1cc(F)ccc1-c1cccc(F)c1 ZINC000585671896 386693221 /nfs/dbraw/zinc/69/32/21/386693221.db2.gz FDIKHCQRYOIESW-UHFFFAOYSA-N 0 0 207.179 2.265 50 0 BEAARN CCOCCn1c2ccccc2nc1[C@H](C)O ZINC000001926814 386703035 /nfs/dbraw/zinc/70/30/35/386703035.db2.gz ACYJPUHBPQAFNT-JTQLQIEISA-N 0 0 234.299 2.126 50 0 BEAARN Cc1c(F)cccc1C(=O)N(C)Cc1cc[nH]n1 ZINC000215520167 386733746 /nfs/dbraw/zinc/73/37/46/386733746.db2.gz QDBXUUJFNLGPLL-UHFFFAOYSA-N 0 0 247.273 2.129 50 0 BEAARN CC(C)CC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000046936763 386741265 /nfs/dbraw/zinc/74/12/65/386741265.db2.gz LHNIWHAMUDYGPT-LLVKDONJSA-N 0 0 225.332 2.060 50 0 BEAARN Nc1nc(Cl)cc(N[C@H]2CCCSC2)n1 ZINC000075094117 386741726 /nfs/dbraw/zinc/74/17/26/386741726.db2.gz XXAPDWMMSYYSDU-LURJTMIESA-N 0 0 244.751 2.020 50 0 BEAARN C[C@H]1C[C@H]1CC(=O)N1CC(C(F)(F)F)C1 ZINC000334773724 386824346 /nfs/dbraw/zinc/82/43/46/386824346.db2.gz VOXAMLIHPNWCEU-BQBZGAKWSA-N 0 0 221.222 2.053 50 0 BEAARN CN(c1ncnc(N)c1Cl)C1CC(C)(C)C1 ZINC000395433288 386835241 /nfs/dbraw/zinc/83/52/41/386835241.db2.gz NHOLLYLZEDAMCJ-UHFFFAOYSA-N 0 0 240.738 2.337 50 0 BEAARN O=C1OCC[C@H]1N1CC=C(c2ccccc2)CC1 ZINC000012915328 386896936 /nfs/dbraw/zinc/89/69/36/386896936.db2.gz KCZPRPKQXPDCFQ-CQSZACIVSA-N 0 0 243.306 2.091 50 0 BEAARN CNc1ncnc2c3cc(OC)ccc3n(C)c21 ZINC000004295269 386924995 /nfs/dbraw/zinc/92/49/95/386924995.db2.gz PHCZZAPLQJTKLX-UHFFFAOYSA-N 0 0 242.282 2.172 50 0 BEAARN COc1ncccc1NC(=O)c1cccs1 ZINC000047553891 386994610 /nfs/dbraw/zinc/99/46/10/386994610.db2.gz PPKUYWMLLCISIK-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN Cc1ccsc1[C@H](O)CNC(=O)C(C)(C)C ZINC000075155194 387060131 /nfs/dbraw/zinc/06/01/31/387060131.db2.gz HCJYDPZJDCODEN-SECBINFHSA-N 0 0 241.356 2.252 50 0 BEAARN CC(C)NC(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000334977209 387063195 /nfs/dbraw/zinc/06/31/95/387063195.db2.gz BAZFDZONYXJPIG-MRVPVSSYSA-N 0 0 220.263 2.082 50 0 BEAARN CCOC(=O)/C=C(/OC)c1cccc(F)c1 ZINC000575410502 387014563 /nfs/dbraw/zinc/01/45/63/387014563.db2.gz MSNHAVOTXHSASZ-DHZHZOJOSA-N 0 0 224.231 2.376 50 0 BEAARN CC(=O)N1N=C2CCCC[C@@H]2[C@H]1C(C)C ZINC000000238679 322809241 /nfs/dbraw/zinc/80/92/41/322809241.db2.gz PUAQGLLTOYVTSQ-CMPLNLGQSA-N 0 0 208.305 2.419 50 0 BEAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccco2)on1 ZINC000071867168 387122901 /nfs/dbraw/zinc/12/29/01/387122901.db2.gz HQMAKPKRSDQYOT-VIFPVBQESA-N 0 0 234.255 2.409 50 0 BEAARN Cc1ccc(C)c([C@](C)(O)c2ncc[nH]2)c1 ZINC000114418899 387125494 /nfs/dbraw/zinc/12/54/94/387125494.db2.gz COPFHVQYAYNMKF-ZDUSSCGKSA-N 0 0 216.284 2.282 50 0 BEAARN CC(C)(C)OC(=O)N1CCc2cccc(CO)c21 ZINC000089064986 387147986 /nfs/dbraw/zinc/14/79/86/387147986.db2.gz LTOJETILXZZDPG-UHFFFAOYSA-N 0 0 249.310 2.477 50 0 BEAARN CNc1cnc(Br)cc1C ZINC000575442728 387150997 /nfs/dbraw/zinc/15/09/97/387150997.db2.gz OBTJQOKJVIRTRS-UHFFFAOYSA-N 0 0 201.067 2.194 50 0 BEAARN CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000089365406 387171707 /nfs/dbraw/zinc/17/17/07/387171707.db2.gz IMLYBXARMWTEJM-UHFFFAOYSA-N 0 0 235.308 2.236 50 0 BEAARN O=C([C@H]1CCCO1)N1CCC2(C1)CCCCC2 ZINC000089818544 387186605 /nfs/dbraw/zinc/18/66/05/387186605.db2.gz MHCNNHLDGSOLIS-GFCCVEGCSA-N 0 0 237.343 2.348 50 0 BEAARN CCOc1ncc(Br)cc1OC ZINC000091366368 387206474 /nfs/dbraw/zinc/20/64/74/387206474.db2.gz PMFQDAPOKQNRHM-UHFFFAOYSA-N 0 0 232.077 2.251 50 0 BEAARN CCOc1cccc2c1O[C@@H](C)C(=O)N(CC)C2 ZINC000064542507 387210501 /nfs/dbraw/zinc/21/05/01/387210501.db2.gz OBCWWCWCUCWMSU-JTQLQIEISA-N 0 0 249.310 2.215 50 0 BEAARN COc1ncc(C(=O)Nc2ccc(C)cc2)cn1 ZINC000064542422 387211398 /nfs/dbraw/zinc/21/13/98/387211398.db2.gz BSVKTGXDZIBPSJ-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN Cc1nc(-c2cccc(C(=O)NC(C)C)c2)no1 ZINC000064552055 387218219 /nfs/dbraw/zinc/21/82/19/387218219.db2.gz RNOOJLZZFHKTSB-UHFFFAOYSA-N 0 0 245.282 2.183 50 0 BEAARN CCc1ccc2nc(C)cc(C(=O)NC)c2c1 ZINC000064553289 387220172 /nfs/dbraw/zinc/22/01/72/387220172.db2.gz RUZFELADTGBTCV-UHFFFAOYSA-N 0 0 228.295 2.465 50 0 BEAARN CC(=O)Nc1c(C)cc(Cl)cc1NC=O ZINC000000409921 387220587 /nfs/dbraw/zinc/22/05/87/387220587.db2.gz MZOBSZQFKNSCIS-UHFFFAOYSA-N 0 0 226.663 2.175 50 0 BEAARN CCC1=NO[C@@H](C(=O)Nc2ccccc2)C1 ZINC000064555272 387221146 /nfs/dbraw/zinc/22/11/46/387221146.db2.gz RWCFOZJKYPTGTR-LLVKDONJSA-N 0 0 218.256 2.180 50 0 BEAARN Cc1nnc(NCc2ccccc2)s1 ZINC000006703904 387250019 /nfs/dbraw/zinc/25/00/19/387250019.db2.gz NZKFOTZQIJUAHK-UHFFFAOYSA-N 0 0 205.286 2.459 50 0 BEAARN Cc1cc(NC(=O)c2ccc(C)cc2)n(C)n1 ZINC000013596259 387316383 /nfs/dbraw/zinc/31/63/83/387316383.db2.gz ZVGXCUJVLWTJAM-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN CC(=O)c1cc(C(=O)N2CCC(C)CC2)n(C)c1 ZINC000053574171 387255437 /nfs/dbraw/zinc/25/54/37/387255437.db2.gz URODTNRXFQOXQS-UHFFFAOYSA-N 0 0 248.326 2.100 50 0 BEAARN O=C1C[C@@H]2C=C[C@@H]3C[C@H](O[C@H]4CCCCO4)[C@H]1[C@H]23 ZINC000071786024 387287788 /nfs/dbraw/zinc/28/77/88/387287788.db2.gz KYAFNZNPNMKDLZ-XYVIHTCUSA-N 0 0 248.322 2.309 50 0 BEAARN O=C(NC(=O)c1ccccc1)c1ccccc1 ZINC000001660129 387287864 /nfs/dbraw/zinc/28/78/64/387287864.db2.gz ZHDORMMHAKXTPT-UHFFFAOYSA-N 0 0 225.247 2.257 50 0 BEAARN NNc1cc(Cl)cc(Br)c1 ZINC000095635101 387291431 /nfs/dbraw/zinc/29/14/31/387291431.db2.gz YKAINBDZXBUDRU-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN COC(=O)c1ncn(CCCC2CCCC2)n1 ZINC000088500221 387296174 /nfs/dbraw/zinc/29/61/74/387296174.db2.gz FFSPLILOKDTPPE-UHFFFAOYSA-N 0 0 237.303 2.035 50 0 BEAARN Cc1c(CN2CCC[C@@](C)(F)C2)cnn1C ZINC000295602396 387318554 /nfs/dbraw/zinc/31/85/54/387318554.db2.gz CZAUZZZQJNTZKM-GFCCVEGCSA-N 0 0 225.311 2.053 50 0 BEAARN CC(C)(C)c1ncnc(N)c1Br ZINC000075252872 387371310 /nfs/dbraw/zinc/37/13/10/387371310.db2.gz UVALTIBFBREBOP-UHFFFAOYSA-N 0 0 230.109 2.119 50 0 BEAARN CC(C)[C@H]1COC2(COC2)N1Cc1ccccc1 ZINC000169804264 387323836 /nfs/dbraw/zinc/32/38/36/387323836.db2.gz AGBCHVAEEBGRIQ-CQSZACIVSA-N 0 0 247.338 2.270 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1cccc2cc[nH]c21 ZINC000001742771 322810691 /nfs/dbraw/zinc/81/06/91/322810691.db2.gz AQZAJZOYMDIJGY-NSHDSACASA-N 0 0 244.294 2.077 50 0 BEAARN O=C1C[C@@]23C[C@H](O)C[C@]2(C1)CCCCC3 ZINC000257357778 387337394 /nfs/dbraw/zinc/33/73/94/387337394.db2.gz PUQZZGZHOUIXIO-LMKPVCQUSA-N 0 0 208.301 2.441 50 0 BEAARN Cc1nc(CNC(=O)N[C@H]2C=CCCC2)oc1C ZINC000089558484 387342873 /nfs/dbraw/zinc/34/28/73/387342873.db2.gz YFKZZZISQOXECU-NSHDSACASA-N 0 0 249.314 2.199 50 0 BEAARN O=C(NC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000000133326 387427735 /nfs/dbraw/zinc/42/77/35/387427735.db2.gz UEUFPGFWHHTRJD-NSHDSACASA-N 0 0 239.702 2.249 50 0 BEAARN CC(C)COc1cc(Br)cnc1N ZINC000575444427 387435487 /nfs/dbraw/zinc/43/54/87/387435487.db2.gz DVGPMKVTPFUSGB-UHFFFAOYSA-N 0 0 245.120 2.461 50 0 BEAARN NC1(C(F)(F)F)CCC(F)(F)CC1 ZINC000575519990 387438281 /nfs/dbraw/zinc/43/82/81/387438281.db2.gz BJHLDDYWXDBBGV-UHFFFAOYSA-N 0 0 203.154 2.456 50 0 BEAARN Cc1cc(CCNC(=O)c2ccccc2F)on1 ZINC000077122427 387449245 /nfs/dbraw/zinc/44/92/45/387449245.db2.gz CZUBDPRIJVNWEK-UHFFFAOYSA-N 0 0 248.257 2.095 50 0 BEAARN COCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@@H]1C ZINC000077559659 387450881 /nfs/dbraw/zinc/45/08/81/387450881.db2.gz HTFGYHDJXIFHMC-SRVKXCTJSA-N 0 0 242.363 2.241 50 0 BEAARN COC(=O)[C@H](C)CSCc1nc(C)c(C)o1 ZINC000078827434 387451770 /nfs/dbraw/zinc/45/17/70/387451770.db2.gz ORRDOWPMCMCQHE-SSDOTTSWSA-N 0 0 243.328 2.334 50 0 BEAARN COC(=O)c1ccc([C@H](C)N(C)CC(F)F)o1 ZINC000091555966 387457925 /nfs/dbraw/zinc/45/79/25/387457925.db2.gz SWIXSFBQRAWXCC-ZETCQYMHSA-N 0 0 247.241 2.324 50 0 BEAARN Cc1nc(/C=C/C(=O)Nc2ccccn2)cs1 ZINC000040043315 387401574 /nfs/dbraw/zinc/40/15/74/387401574.db2.gz RXKKBEXFNGEDMW-AATRIKPKSA-N 0 0 245.307 2.498 50 0 BEAARN CC(=O)NCc1ccc(-c2ccoc2)o1 ZINC000575609288 387405234 /nfs/dbraw/zinc/40/52/34/387405234.db2.gz ANOUOAQGYQFQJE-UHFFFAOYSA-N 0 0 205.213 2.176 50 0 BEAARN CCSCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000121783630 387407152 /nfs/dbraw/zinc/40/71/52/387407152.db2.gz MCWROVXHEVBKAF-JTQLQIEISA-N 0 0 240.376 2.085 50 0 BEAARN COC(C)(C)C(=O)Nc1ccc(F)cc1C ZINC000223996037 387536358 /nfs/dbraw/zinc/53/63/58/387536358.db2.gz DDMGUQDVFIBVST-UHFFFAOYSA-N 0 0 225.263 2.498 50 0 BEAARN Cc1cnccc1C[N@@H+]1CCC[C@H]1CF ZINC000295993891 387539169 /nfs/dbraw/zinc/53/91/69/387539169.db2.gz KMASQVVGXIOAJV-LBPRGKRZSA-N 0 0 208.280 2.324 50 0 BEAARN CCCCCS(=O)(=O)c1ccc(O)cc1 ZINC000115927297 387475420 /nfs/dbraw/zinc/47/54/20/387475420.db2.gz AXHCQYWYHXCXMN-UHFFFAOYSA-N 0 0 228.313 2.356 50 0 BEAARN CSc1cccc(F)c1C(=O)N(C)C ZINC000281130294 387492183 /nfs/dbraw/zinc/49/21/83/387492183.db2.gz DXHNZMPITCTSIV-UHFFFAOYSA-N 0 0 213.277 2.249 50 0 BEAARN CCn1ncc(CN(C)C(=O)C2CC=CC2)c1C ZINC000426677834 387583591 /nfs/dbraw/zinc/58/35/91/387583591.db2.gz UZIXDIRFXSJHRN-UHFFFAOYSA-N 0 0 247.342 2.136 50 0 BEAARN CCc1nc(-c2ccc(OC)cc2OC)n(C)n1 ZINC000426667546 387584725 /nfs/dbraw/zinc/58/47/25/387584725.db2.gz RRKRHBAPYVMKQS-UHFFFAOYSA-N 0 0 247.298 2.062 50 0 BEAARN COc1nc(-c2ccc([C@@H](C)OC)cc2)nn1C ZINC000426690565 387586150 /nfs/dbraw/zinc/58/61/50/387586150.db2.gz JNQAAWZAPQSEHG-SECBINFHSA-N 0 0 247.298 2.198 50 0 BEAARN Cc1cc2sc(N)nc2c(-c2ccnn2C)c1 ZINC000426438933 387569043 /nfs/dbraw/zinc/56/90/43/387569043.db2.gz TTXQPGWSPRXYAD-UHFFFAOYSA-N 0 0 244.323 2.418 50 0 BEAARN Cc1n[nH]c(C)c1-c1cccc(-n2cnnc2)c1 ZINC000426515812 387579151 /nfs/dbraw/zinc/57/91/51/387579151.db2.gz YNOKIJUYQUNTGK-UHFFFAOYSA-N 0 0 239.282 2.274 50 0 BEAARN CCONC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000036394708 387792363 /nfs/dbraw/zinc/79/23/63/387792363.db2.gz JYCILNBDUKQJKZ-UHFFFAOYSA-N 0 0 247.216 2.316 50 0 BEAARN Cc1ccc(NC(=O)C(=O)c2ccc[nH]2)cc1F ZINC000065083731 387835173 /nfs/dbraw/zinc/83/51/73/387835173.db2.gz PZNGCOCOGSIOME-UHFFFAOYSA-N 0 0 246.241 2.284 50 0 BEAARN CCOC[C@H](C)OC(=O)c1ccsc1 ZINC000190749350 387869468 /nfs/dbraw/zinc/86/94/68/387869468.db2.gz IJNFJFJKSNQTRA-QMMMGPOBSA-N 0 0 214.286 2.330 50 0 BEAARN CN(CCn1cc(F)ccc1=O)c1ccccc1 ZINC000190750123 387869974 /nfs/dbraw/zinc/86/99/74/387869974.db2.gz FYXSFLAKHSFEGI-UHFFFAOYSA-N 0 0 246.285 2.124 50 0 BEAARN Cc1cc(C)c(S(=O)(=O)NC(C)C)cc1C ZINC000011614109 177870107 /nfs/dbraw/zinc/87/01/07/177870107.db2.gz LMHAXJXWUKHLRV-UHFFFAOYSA-N 0 0 241.356 2.299 50 0 BEAARN Cc1cccc(Cc2ccc(=O)[nH]n2)c1 ZINC000004024239 322812584 /nfs/dbraw/zinc/81/25/84/322812584.db2.gz NQQTWKYLPYATFW-UHFFFAOYSA-N 0 0 200.241 2.081 50 0 BEAARN CCc1nsc(N2Cc3ccncc3C2)n1 ZINC000521396793 387927141 /nfs/dbraw/zinc/92/71/41/387927141.db2.gz YIMBUHUWSKEMGE-UHFFFAOYSA-N 0 0 232.312 2.016 50 0 BEAARN Cc1cc(C(N)=O)c(C)n1Cc1ccc(F)cc1 ZINC000064554636 177832459 /nfs/dbraw/zinc/83/24/59/177832459.db2.gz FACWBWJFEDSLKC-UHFFFAOYSA-N 0 0 246.285 2.391 50 0 BEAARN Cc1nnc(CSc2ccccc2)[nH]1 ZINC000065492607 388016645 /nfs/dbraw/zinc/01/66/45/388016645.db2.gz GYYOESIDYZTYDD-UHFFFAOYSA-N 0 0 205.286 2.405 50 0 BEAARN Cc1cc(C(=O)NCCc2ccccc2C)on1 ZINC000032740815 177785208 /nfs/dbraw/zinc/78/52/08/177785208.db2.gz OTWPLJRRYCIEGO-UHFFFAOYSA-N 0 0 244.294 2.264 50 0 BEAARN Cc1ccoc1C(=O)N(C)Cc1ccc[nH]1 ZINC000084251053 388076873 /nfs/dbraw/zinc/07/68/73/388076873.db2.gz WMESGNKFZYGBMA-UHFFFAOYSA-N 0 0 218.256 2.188 50 0 BEAARN C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000267003336 388091598 /nfs/dbraw/zinc/09/15/98/388091598.db2.gz DYCIXKSKOLWLPX-OCCSQVGLSA-N 0 0 247.338 2.414 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)Nc1ccccn1 ZINC000042395938 388092631 /nfs/dbraw/zinc/09/26/31/388092631.db2.gz CPLHNOOCTAUOEZ-JTQLQIEISA-N 0 0 222.288 2.081 50 0 BEAARN O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004893365 322813824 /nfs/dbraw/zinc/81/38/24/322813824.db2.gz ZVXNHYZKXBMGBJ-BFHYXJOUSA-N 0 0 245.322 2.085 50 0 BEAARN Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)on1 ZINC000006738064 177771266 /nfs/dbraw/zinc/77/12/66/177771266.db2.gz WUGVUIJRGDHEEW-NXEZZACHSA-N 0 0 222.288 2.386 50 0 BEAARN Cc1cnc(-c2ccc(F)c(F)c2)nc1N ZINC000042936082 388119012 /nfs/dbraw/zinc/11/90/12/388119012.db2.gz YFBAZFRVUANHFR-UHFFFAOYSA-N 0 0 221.210 2.312 50 0 BEAARN Cc1noc(C)c1N(C)Cc1noc(C2CC2)n1 ZINC000170021746 388256152 /nfs/dbraw/zinc/25/61/52/388256152.db2.gz PBAINRNWRWOPLI-UHFFFAOYSA-N 0 0 248.286 2.188 50 0 BEAARN CN(C[C@H]1CCOC1)C(=O)CCc1ccccc1 ZINC000169762943 388257199 /nfs/dbraw/zinc/25/71/99/388257199.db2.gz MPULDEXWXWUSCR-CQSZACIVSA-N 0 0 247.338 2.114 50 0 BEAARN c1cnc(N2CCC(C3CCOCC3)CC2)nc1 ZINC000170052029 388257318 /nfs/dbraw/zinc/25/73/18/388257318.db2.gz NNIKJQJCWXULTL-UHFFFAOYSA-N 0 0 247.342 2.120 50 0 BEAARN Cc1ccnc(NCC2(c3ccccn3)CC2)n1 ZINC000170083732 388257769 /nfs/dbraw/zinc/25/77/69/388257769.db2.gz LAINIYLGLJPSNB-UHFFFAOYSA-N 0 0 240.310 2.324 50 0 BEAARN Cc1cscc1C(=O)Nc1cnns1 ZINC000170605802 388245926 /nfs/dbraw/zinc/24/59/26/388245926.db2.gz UDAMYHYYMRQCKT-UHFFFAOYSA-N 0 0 225.298 2.160 50 0 BEAARN Cc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2C(=O)[O-] ZINC000395636653 256631441 /nfs/dbraw/zinc/63/14/41/256631441.db2.gz AHYHJWKUOLTNOU-NSHDSACASA-N 0 0 219.284 2.002 50 0 biogenic BEAARN CCCc1nccn1CCO[C@@H]1CCCCO1 ZINC000193429464 388349045 /nfs/dbraw/zinc/34/90/45/388349045.db2.gz VDIWUNRBQYMRCG-CYBMUJFWSA-N 0 0 238.331 2.379 50 0 BEAARN Cc1ccc(/C=C\C(=O)N[C@H](C)[C@H]2CCCO2)o1 ZINC000254734336 388354464 /nfs/dbraw/zinc/35/44/64/388354464.db2.gz PGNUEFAODSLBII-FZJVHEGESA-N 0 0 249.310 2.285 50 0 BEAARN c1ccc2oc(NC[C@@H]3CCCO3)nc2c1 ZINC000029219450 388354618 /nfs/dbraw/zinc/35/46/18/388354618.db2.gz JXRFFMXVPOOWRK-VIFPVBQESA-N 0 0 218.256 2.419 50 0 BEAARN CCN(CC)C(=O)c1cn(-c2ccccc2)cn1 ZINC000227115859 388359024 /nfs/dbraw/zinc/35/90/24/388359024.db2.gz LSTNDLHTGVRJIT-UHFFFAOYSA-N 0 0 243.310 2.354 50 0 BEAARN Cn1[nH]c(=O)c2cc(NC(=O)C3CCC3)ccc21 ZINC000227164009 388359113 /nfs/dbraw/zinc/35/91/13/388359113.db2.gz SSALEMGTHHHMNN-UHFFFAOYSA-N 0 0 245.282 2.018 50 0 BEAARN CCN(CC)C(=O)COC(=O)c1ccc(C)cc1 ZINC000057487344 388360405 /nfs/dbraw/zinc/36/04/05/388360405.db2.gz FQMBXNNRDBQMNW-UHFFFAOYSA-N 0 0 249.310 2.020 50 0 BEAARN C[C@H]1SCC(=O)n2c3ccccc3nc21 ZINC000057531740 388362343 /nfs/dbraw/zinc/36/23/43/388362343.db2.gz JPIVUYQDHNYACG-SSDOTTSWSA-N 0 0 218.281 2.484 50 0 BEAARN CCN(CC)c1ncnc2ccccc21 ZINC000003163725 388367003 /nfs/dbraw/zinc/36/70/03/388367003.db2.gz GBDJCFNRYXQSGW-UHFFFAOYSA-N 0 0 201.273 2.476 50 0 BEAARN Cc1ccc(O[C@H](C)C(=O)NC2CC2)cc1 ZINC000008499635 388405437 /nfs/dbraw/zinc/40/54/37/388405437.db2.gz FMMLMLMEESLNKM-SNVBAGLBSA-N 0 0 219.284 2.041 50 0 BEAARN CCN(CCO)C(=S)Nc1cccc(C)c1 ZINC000003307896 388372072 /nfs/dbraw/zinc/37/20/72/388372072.db2.gz KYQQKTXOBMONSN-UHFFFAOYSA-N 0 0 238.356 2.006 50 0 BEAARN C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000089922211 388373339 /nfs/dbraw/zinc/37/33/39/388373339.db2.gz ALXGHPFSYFYVNK-CABNGKKXSA-N 0 0 244.338 2.498 50 0 BEAARN Cc1ccc(C)c(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000003334945 388373841 /nfs/dbraw/zinc/37/38/41/388373841.db2.gz KXZXHCZLZUSWMH-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 BEAARN Cc1ccc(C(=O)OCC(=O)c2ccc[nH]2)s1 ZINC000003430336 388378883 /nfs/dbraw/zinc/37/88/83/388378883.db2.gz IHJDQINDTGFENU-UHFFFAOYSA-N 0 0 249.291 2.424 50 0 BEAARN CCO[C@@H](C)c1noc([C@H]2CCCOC2)n1 ZINC000089984972 388379325 /nfs/dbraw/zinc/37/93/25/388379325.db2.gz BQHWIFQXCJDEAA-IUCAKERBSA-N 0 0 226.276 2.061 50 0 BEAARN COC[C@H](C)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000058283590 388380401 /nfs/dbraw/zinc/38/04/01/388380401.db2.gz RKKDJOJSSLBGMY-SDDRHHMPSA-N 0 0 239.359 2.376 50 0 BEAARN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc[nH]1 ZINC000067333812 388406012 /nfs/dbraw/zinc/40/60/12/388406012.db2.gz LANFVERRUQCIJX-AAEUAGOBSA-N 0 0 244.269 2.440 50 0 BEAARN CC(C)N(CC(N)=O)Cc1ccccc1Cl ZINC000008532602 388406066 /nfs/dbraw/zinc/40/60/66/388406066.db2.gz FNOFUXKPQIRZJD-UHFFFAOYSA-N 0 0 240.734 2.036 50 0 BEAARN CC[C@@H](C)n1nc(-c2ccco2)ccc1=O ZINC000038790730 388406114 /nfs/dbraw/zinc/40/61/14/388406114.db2.gz ITMPFQOTJJZQMK-SECBINFHSA-N 0 0 218.256 2.474 50 0 BEAARN CN(C)c1ncnc2c1ncn2[C@H]1C=CCCC1 ZINC000171793322 388406256 /nfs/dbraw/zinc/40/62/56/388406256.db2.gz MRUNKAJRAGSRMG-JTQLQIEISA-N 0 0 243.314 2.174 50 0 BEAARN c1ccc(Cc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000008048417 388400649 /nfs/dbraw/zinc/40/06/49/388400649.db2.gz MNNOZHFZLAAMPK-UHFFFAOYSA-N 0 0 236.278 2.458 50 0 BEAARN CC(=O)NCCC(=O)Nc1ccccc1C(C)C ZINC000008342342 388403598 /nfs/dbraw/zinc/40/35/98/388403598.db2.gz SGYZPNBXGUIEDM-UHFFFAOYSA-N 0 0 248.326 2.275 50 0 BEAARN CC(=O)OC(OC(C)=O)c1ccc(Cl)cc1 ZINC000071404360 388443323 /nfs/dbraw/zinc/44/33/23/388443323.db2.gz YPVPOSHTICPHKF-UHFFFAOYSA-N 0 0 242.658 2.465 50 0 BEAARN O=C1CCCc2[nH]nc(-c3cccc(O)c3)c21 ZINC000071281459 388443541 /nfs/dbraw/zinc/44/35/41/388443541.db2.gz IIWHFSQLFYFPOH-UHFFFAOYSA-N 0 0 228.251 2.301 50 0 BEAARN COC(=O)c1ccc(C)c(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000007801437 388474751 /nfs/dbraw/zinc/47/47/51/388474751.db2.gz YRMMRZLPGIMWEW-KOLCDFICSA-N 0 0 247.294 2.376 50 0 BEAARN CC[C@@H](C)n1c2c(c(=S)[nH]c1=O)CCC2 ZINC000008737544 388407189 /nfs/dbraw/zinc/40/71/89/388407189.db2.gz FUKVSCHATSDMHG-SSDOTTSWSA-N 0 0 224.329 2.366 50 0 BEAARN O=C(C1CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040462068 388416434 /nfs/dbraw/zinc/41/64/34/388416434.db2.gz JQXYACZQKBAXMF-MRVPVSSYSA-N 0 0 221.222 2.197 50 0 BEAARN CC(C)OCCCNC(=O)[C@H]1CC=CCC1 ZINC000040473371 388417439 /nfs/dbraw/zinc/41/74/39/388417439.db2.gz UHCPPPNWMJNRIS-LBPRGKRZSA-N 0 0 225.332 2.274 50 0 BEAARN CCCn1ccnc1S[C@@H](CC)C(=O)OC ZINC000040479374 388417530 /nfs/dbraw/zinc/41/75/30/388417530.db2.gz ZGJVGKJVGNFVSI-VIFPVBQESA-N 0 0 242.344 2.337 50 0 BEAARN O=C1OCC[C@@H]1N[C@H](c1ccccc1)C1CCC1 ZINC000069492650 388417945 /nfs/dbraw/zinc/41/79/45/388417945.db2.gz IZMJJSKCWHQUQA-UONOGXRCSA-N 0 0 245.322 2.433 50 0 BEAARN O=C(CC[C@@H]1CCCO1)NCc1ccccc1 ZINC000040505769 388419479 /nfs/dbraw/zinc/41/94/79/388419479.db2.gz ZQZRFMJURIRIBZ-ZDUSSCGKSA-N 0 0 233.311 2.262 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000040520892 388420085 /nfs/dbraw/zinc/42/00/85/388420085.db2.gz SSYVVQCECRWQQJ-LBPRGKRZSA-N 0 0 227.348 2.306 50 0 BEAARN CCc1ccccc1NC(=O)NCCCOC ZINC000040526472 388420843 /nfs/dbraw/zinc/42/08/43/388420843.db2.gz GQPPBKCSHIHNNY-UHFFFAOYSA-N 0 0 236.315 2.407 50 0 BEAARN Cc1ccc(F)cc1C(=O)Nc1c[nH]ccc1=O ZINC000069780575 388426506 /nfs/dbraw/zinc/42/65/06/388426506.db2.gz PLTJZOJIPFGHNJ-UHFFFAOYSA-N 0 0 246.241 2.075 50 0 BEAARN Cc1nc(Cl)cc(N[C@H](CO)CC(C)C)n1 ZINC000069848803 388427345 /nfs/dbraw/zinc/42/73/45/388427345.db2.gz DPHXCMGSUZBBSX-VIFPVBQESA-N 0 0 243.738 2.257 50 0 BEAARN CONC(=O)c1cc(C)c(OC(F)F)c(C)c1 ZINC000069844857 388427490 /nfs/dbraw/zinc/42/74/90/388427490.db2.gz PACIUXMTRMJSQG-UHFFFAOYSA-N 0 0 245.225 2.196 50 0 BEAARN Cc1noc(C)c1CCC(=O)NCc1ccco1 ZINC000009316629 388428063 /nfs/dbraw/zinc/42/80/63/388428063.db2.gz IEAXIUYOVIMUCB-UHFFFAOYSA-N 0 0 248.282 2.133 50 0 BEAARN CCc1ccc([C@@H](O)c2nccn2C)cc1 ZINC000009421100 388433813 /nfs/dbraw/zinc/43/38/13/388433813.db2.gz KEUBWLFIROMSGD-GFCCVEGCSA-N 0 0 216.284 2.064 50 0 BEAARN CCCc1nccn1Cc1nc(C2CC2)no1 ZINC000070424428 388435921 /nfs/dbraw/zinc/43/59/21/388435921.db2.gz AFIIEVJZPSPQFN-UHFFFAOYSA-N 0 0 232.287 2.144 50 0 BEAARN CCc1ccc([C@H]2CN(C(C)=O)CCO2)cc1 ZINC000041380449 388435965 /nfs/dbraw/zinc/43/59/65/388435965.db2.gz JQQXORVDLAIKEZ-CQSZACIVSA-N 0 0 233.311 2.169 50 0 BEAARN Cc1n[nH]c(C)c1CNC(=O)c1cccs1 ZINC000041536001 388437064 /nfs/dbraw/zinc/43/70/64/388437064.db2.gz UQUBPTUPMWYYNS-UHFFFAOYSA-N 0 0 235.312 2.018 50 0 BEAARN Cc1csc(CN(C)c2nc(C)cnc2C)n1 ZINC000195563847 388483997 /nfs/dbraw/zinc/48/39/97/388483997.db2.gz FZFPKZHVJZPVOL-UHFFFAOYSA-N 0 0 248.355 2.495 50 0 BEAARN CCOC[C@@H](C)Nc1cccc(CO)c1 ZINC000195566461 388486780 /nfs/dbraw/zinc/48/67/80/388486780.db2.gz DSILNDLENHXOMB-SNVBAGLBSA-N 0 0 209.289 2.016 50 0 BEAARN Cc1occc1Sc1ncnc2c1cnn2C ZINC000195566593 388486823 /nfs/dbraw/zinc/48/68/23/388486823.db2.gz WXFWLUCBXNQPLD-UHFFFAOYSA-N 0 0 246.295 2.416 50 0 BEAARN Cc1ccc(C(=S)N2CCOCC2)cc1 ZINC000000444188 388586213 /nfs/dbraw/zinc/58/62/13/388586213.db2.gz CSDQNGYAOFDELC-UHFFFAOYSA-N 0 0 221.325 2.003 50 0 BEAARN CCc1cc(O)ccc1NC(=O)[C@H]1CCO[C@@H]1C ZINC000253427874 388591852 /nfs/dbraw/zinc/59/18/52/388591852.db2.gz BDFQHJHVFITYEN-SKDRFNHKSA-N 0 0 249.310 2.318 50 0 BEAARN CC1(C)CCC(Cn2ccncc2=O)CC1 ZINC000241657635 388595744 /nfs/dbraw/zinc/59/57/44/388595744.db2.gz PXXJFWVPEPNBQK-UHFFFAOYSA-N 0 0 220.316 2.460 50 0 BEAARN Cc1cc(OCc2ccccc2)c2nncn2n1 ZINC000575422450 388617558 /nfs/dbraw/zinc/61/75/58/388617558.db2.gz LRKJLONAQDORNJ-UHFFFAOYSA-N 0 0 240.266 2.012 50 0 BEAARN CC(C)(C)[P@@](=O)(CO)c1ccccc1 ZINC000000295595 388585962 /nfs/dbraw/zinc/58/59/62/388585962.db2.gz GZUQSBLQZUAVAF-CQSZACIVSA-N 0 0 212.229 2.423 50 0 BEAARN Cc1cc(Br)cnc1N(C)C ZINC000042783618 177724086 /nfs/dbraw/zinc/72/40/86/177724086.db2.gz VWIQEXZPUGUNLV-UHFFFAOYSA-N 0 0 215.094 2.219 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000007215169 388658546 /nfs/dbraw/zinc/65/85/46/388658546.db2.gz IDLXROVVBKEMEG-YUSALJHKSA-N 0 0 231.295 2.282 50 0 BEAARN CN(CC1CCC1)C(=O)CCc1ccccn1 ZINC000078614892 388737584 /nfs/dbraw/zinc/73/75/84/388737584.db2.gz NNXSIJUCDDGFBS-UHFFFAOYSA-N 0 0 232.327 2.273 50 0 BEAARN O=C(c1ccccn1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089878918 388741667 /nfs/dbraw/zinc/74/16/67/388741667.db2.gz PWPVVAVHNDUVIK-VXGBXAGGSA-N 0 0 230.311 2.344 50 0 BEAARN COc1ccnc(NC(=O)c2ccsc2)c1 ZINC000089987106 388743243 /nfs/dbraw/zinc/74/32/43/388743243.db2.gz GHJRQNMVBGHRNT-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN COC(=O)c1ccoc1CN1CCCC[C@@H]1C ZINC000055255750 388693965 /nfs/dbraw/zinc/69/39/65/388693965.db2.gz AOENKAQZAYYPAE-JTQLQIEISA-N 0 0 237.299 2.441 50 0 BEAARN CCS[C@@H]1CCCC[N@H+](CCCC(=O)[O-])C1 ZINC000116400986 388709477 /nfs/dbraw/zinc/70/94/77/388709477.db2.gz CNHFRDDXJVRKHS-LLVKDONJSA-N 0 0 245.388 2.459 50 0 BEAARN CCCC(=O)O[C@@H](C)c1nc(C2CC2)no1 ZINC000095954535 388794317 /nfs/dbraw/zinc/79/43/17/388794317.db2.gz PNSABJZZLHSABJ-ZETCQYMHSA-N 0 0 224.260 2.351 50 0 BEAARN COC(=O)CNC1(c2cccc(Cl)c2)CC1 ZINC000095985316 388799054 /nfs/dbraw/zinc/79/90/54/388799054.db2.gz UPDMCZWTYVGGHR-UHFFFAOYSA-N 0 0 239.702 2.092 50 0 BEAARN COC(=O)CN[C@@H](C)c1cccc(C)c1C ZINC000095985239 388799076 /nfs/dbraw/zinc/79/90/76/388799076.db2.gz XHRATSQTGRLIMT-NSHDSACASA-N 0 0 221.300 2.127 50 0 BEAARN CCOCCOc1ccc(OC)c(F)c1 ZINC000096007382 388804297 /nfs/dbraw/zinc/80/42/97/388804297.db2.gz SYOOHLNHJXWEHS-UHFFFAOYSA-N 0 0 214.236 2.250 50 0 BEAARN COC(=O)c1cc(-c2cccc(C)c2)on1 ZINC000096190307 388810820 /nfs/dbraw/zinc/81/08/20/388810820.db2.gz LTLTWPKMZBCLFK-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN Cc1ccc(Sc2nccn(C)c2=O)cc1 ZINC000095403031 388765183 /nfs/dbraw/zinc/76/51/83/388765183.db2.gz RRPNVPQZGUCSDG-UHFFFAOYSA-N 0 0 232.308 2.240 50 0 BEAARN Cc1cc(C)n(C[C@H](C)Nc2ccccn2)n1 ZINC000095403124 388765841 /nfs/dbraw/zinc/76/58/41/388765841.db2.gz JJCLMWSBXGBRNR-NSHDSACASA-N 0 0 230.315 2.396 50 0 BEAARN Cc1cncc(C(=O)OCc2ccoc2)c1 ZINC000095426579 388768007 /nfs/dbraw/zinc/76/80/07/388768007.db2.gz OOBGPOBAGCYQFN-UHFFFAOYSA-N 0 0 217.224 2.340 50 0 BEAARN CSC[C@@H](C)OC(=O)c1cncc(C)c1 ZINC000095426607 388768974 /nfs/dbraw/zinc/76/89/74/388768974.db2.gz KJNINRSOYTWXRZ-SECBINFHSA-N 0 0 225.313 2.298 50 0 BEAARN Clc1cnc(N[C@@H]2CCCc3c[nH]nc32)nc1 ZINC000095421554 388769898 /nfs/dbraw/zinc/76/98/98/388769898.db2.gz KFIINSNYFFVBCK-SECBINFHSA-N 0 0 249.705 2.343 50 0 BEAARN CCO[C@H](CC)C(=O)Nc1ccccc1O ZINC000095442659 388771626 /nfs/dbraw/zinc/77/16/26/388771626.db2.gz CQZHACWJVSTDBM-LLVKDONJSA-N 0 0 223.272 2.146 50 0 BEAARN CCC[C@](C)(O)C(=O)Nc1cccc(C)c1O ZINC000095443694 388773044 /nfs/dbraw/zinc/77/30/44/388773044.db2.gz IVCZCKHHZBRMQF-ZDUSSCGKSA-N 0 0 237.299 2.190 50 0 BEAARN CCCn1c(C)nnc1COC(=O)C=C(C)C ZINC000095447831 388773271 /nfs/dbraw/zinc/77/32/71/388773271.db2.gz VKBMCQINWVDWSE-UHFFFAOYSA-N 0 0 237.303 2.006 50 0 BEAARN COC(=O)c1cncc(NCc2ccccc2)c1 ZINC000095464180 388775053 /nfs/dbraw/zinc/77/50/53/388775053.db2.gz LHAXMDCYLSPOHM-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN Cc1ccn(CCC(=O)NC2CCCCC2)n1 ZINC000020989394 388790225 /nfs/dbraw/zinc/79/02/25/388790225.db2.gz SOXNZHLCHHUMMI-UHFFFAOYSA-N 0 0 235.331 2.031 50 0 BEAARN c1cnc(N2CC[C@H]3CCCC[C@@H]32)cn1 ZINC000096458964 388820060 /nfs/dbraw/zinc/82/00/60/388820060.db2.gz NTCJMHYDLMQTOG-MNOVXSKESA-N 0 0 203.289 2.246 50 0 BEAARN Cc1cc(-n2cnnc2C2CCCCC2)n(C)n1 ZINC000067921993 177696410 /nfs/dbraw/zinc/69/64/10/177696410.db2.gz HZLKTBMCPAZHAV-UHFFFAOYSA-N 0 0 245.330 2.357 50 0 BEAARN O=C([C@@H]1CCCCC1=O)N1CCCCCC1 ZINC000101367660 388845306 /nfs/dbraw/zinc/84/53/06/388845306.db2.gz HDQBHDNUUPTCRJ-LLVKDONJSA-N 0 0 223.316 2.148 50 0 BEAARN COCCn1cc(N[C@H](C)C(C)(C)C)cn1 ZINC000097037866 388832037 /nfs/dbraw/zinc/83/20/37/388832037.db2.gz XQHATIFAGDIVQW-SNVBAGLBSA-N 0 0 225.336 2.376 50 0 BEAARN CC(=O)c1ccc(C(=O)OC2CCOCC2)cc1 ZINC000097084317 388832725 /nfs/dbraw/zinc/83/27/25/388832725.db2.gz XPRXIYASFKEFHH-UHFFFAOYSA-N 0 0 248.278 2.225 50 0 BEAARN Cc1nscc1C(=O)Nc1nc(C)ccc1O ZINC000097108183 388833706 /nfs/dbraw/zinc/83/37/06/388833706.db2.gz XVGWBBLZTYFHNS-UHFFFAOYSA-N 0 0 249.295 2.113 50 0 BEAARN CCc1ccccc1NC(=O)c1cnn(C)c1 ZINC000002762415 388837077 /nfs/dbraw/zinc/83/70/77/388837077.db2.gz ZKECHLNFWAZIBZ-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN c1ccc2c(c1)ncnc2NC[C@@H]1CCCO1 ZINC000002477332 388837215 /nfs/dbraw/zinc/83/72/15/388837215.db2.gz UFAXTUSUCTWHKS-JTQLQIEISA-N 0 0 229.283 2.221 50 0 BEAARN c1ccc2c(c1)ncnc2NC[C@H]1CCCO1 ZINC000002477331 388837758 /nfs/dbraw/zinc/83/77/58/388837758.db2.gz UFAXTUSUCTWHKS-SNVBAGLBSA-N 0 0 229.283 2.221 50 0 BEAARN Cc1ccnc(NC(=O)c2ccc(F)c(C)c2)n1 ZINC000194668178 388864312 /nfs/dbraw/zinc/86/43/12/388864312.db2.gz GKMAGYDULNGCST-UHFFFAOYSA-N 0 0 245.257 2.485 50 0 BEAARN Cc1cc(-c2ccccc2F)nc(N)n1 ZINC000052837952 177687456 /nfs/dbraw/zinc/68/74/56/177687456.db2.gz FPTVQMFDXHIIPS-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN Cc1c2c(=O)n(C)cc-2[nH]c2ccccc12 ZINC000096026321 177637349 /nfs/dbraw/zinc/63/73/49/177637349.db2.gz BAXCVDYPQVUCDR-UHFFFAOYSA-N 0 0 212.252 2.129 50 0 BEAARN CCC(CC)[C@@H](O)CNc1ncc(C)c(C)n1 ZINC000270804639 389016591 /nfs/dbraw/zinc/01/65/91/389016591.db2.gz VDOYMJIDVZGEJG-LBPRGKRZSA-N 0 0 237.347 2.302 50 0 BEAARN COc1cccc(SCC(=O)NC(C)C)c1 ZINC000040051800 224485643 /nfs/dbraw/zinc/48/56/43/224485643.db2.gz AOMOJGNELPZVBF-UHFFFAOYSA-N 0 0 239.340 2.312 50 0 BEAARN COc1cc(Br)c(C)c(CO)c1 ZINC000000393361 533486501 /nfs/dbraw/zinc/48/65/01/533486501.db2.gz UPJBTYLZLHRTAU-UHFFFAOYSA-N 0 0 231.089 2.258 50 0 BEAARN CC(=O)c1nc(C)sc1Br ZINC000039121831 322830188 /nfs/dbraw/zinc/83/01/88/322830188.db2.gz WUMDYUNYILFNAH-UHFFFAOYSA-N 0 0 220.091 2.417 50 0 BEAARN Cc1nccnc1N1CCC(F)(F)[C@H](C)C1 ZINC000291196206 132218030 /nfs/dbraw/zinc/21/80/30/132218030.db2.gz TYNHYAWUXDYJEB-MRVPVSSYSA-N 0 0 227.258 2.267 50 0 BEAARN Cc1cnc(C)nc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000328600139 132243787 /nfs/dbraw/zinc/24/37/87/132243787.db2.gz VVIHWKMBXORONB-MFKMUULPSA-N 0 0 247.342 2.097 50 0 BEAARN CN1c2ccccc2C(=O)NC12CCCC2 ZINC000032666146 132295247 /nfs/dbraw/zinc/29/52/47/132295247.db2.gz XUEVLQNGPFYJCF-UHFFFAOYSA-N 0 0 216.284 2.137 50 0 BEAARN CCOC(=O)c1cccnc1N1CCC=C(C)C1 ZINC000280832953 132307048 /nfs/dbraw/zinc/30/70/48/132307048.db2.gz WKFVRPXDACGTTK-UHFFFAOYSA-N 0 0 246.310 2.415 50 0 BEAARN CC(=O)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000089930448 132311765 /nfs/dbraw/zinc/31/17/65/132311765.db2.gz CAXLOOYEXSXMHO-CYBMUJFWSA-N 0 0 241.294 2.033 50 0 BEAARN CCN1c2ccccc2C(=O)[C@](F)(CC)C1=O ZINC000000344058 132313546 /nfs/dbraw/zinc/31/35/46/132313546.db2.gz SKAVWCIZFKTYDC-CYBMUJFWSA-N 0 0 235.258 2.354 50 0 BEAARN CCC(=O)c1ccc(N2CCOCC2)cc1 ZINC000000394771 132313559 /nfs/dbraw/zinc/31/35/59/132313559.db2.gz ZEFQETIGOMAQDT-UHFFFAOYSA-N 0 0 219.284 2.116 50 0 BEAARN COC(=O)N1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000001054003 132313874 /nfs/dbraw/zinc/31/38/74/132313874.db2.gz OESCCFKZZNSVKQ-GFCCVEGCSA-N 0 0 248.326 2.272 50 0 BEAARN O=C(c1ccco1)N1CCOc2ccccc21 ZINC000001040416 132313910 /nfs/dbraw/zinc/31/39/10/132313910.db2.gz XUOXOHWEHJSXOU-UHFFFAOYSA-N 0 0 229.235 2.319 50 0 BEAARN C[C@@H]1CC(=O)c2cnc(N3CCCCC3)nc2C1 ZINC000002339788 132314799 /nfs/dbraw/zinc/31/47/99/132314799.db2.gz GYLQOXWDRLWNBU-JTQLQIEISA-N 0 0 245.326 2.232 50 0 BEAARN Cc1ccc2c(c1)[C@@H](O)C[C@H](C)N2N=O ZINC000004673446 132316703 /nfs/dbraw/zinc/31/67/03/132316703.db2.gz FLFNKEWNZOUJJU-KWQFWETISA-N 0 0 206.245 2.308 50 0 BEAARN Cc1cc(N)ccc1N1CCCCC1=O ZINC000011920101 132321022 /nfs/dbraw/zinc/32/10/22/132321022.db2.gz BVKWVMOTHUYVKL-UHFFFAOYSA-N 0 0 204.273 2.094 50 0 BEAARN Cc1cc(N2CCCCC2)nc(Cl)n1 ZINC000016887176 132323329 /nfs/dbraw/zinc/32/33/29/132323329.db2.gz OUSLKOVFFKQOQS-UHFFFAOYSA-N 0 0 211.696 2.429 50 0 BEAARN CC(C)C(=O)N1CCCc2cc(N)ccc21 ZINC000019874361 132328583 /nfs/dbraw/zinc/32/85/83/132328583.db2.gz IEOAXJIIKLUJAI-UHFFFAOYSA-N 0 0 218.300 2.204 50 0 BEAARN CCCN1CNC(=S)N(c2ccccc2)C1 ZINC000020036099 132329387 /nfs/dbraw/zinc/32/93/87/132329387.db2.gz ASHWYKCXZRCNSZ-UHFFFAOYSA-N 0 0 235.356 2.008 50 0 BEAARN CCC(=O)N1CCN(c2ccccc2C)CC1 ZINC000020572689 132331820 /nfs/dbraw/zinc/33/18/20/132331820.db2.gz XGYFKLVIRJOPGK-UHFFFAOYSA-N 0 0 232.327 2.054 50 0 BEAARN Cc1noc2ncnc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000021531580 132331940 /nfs/dbraw/zinc/33/19/40/132331940.db2.gz QPPMQKODPQYCNE-DTORHVGOSA-N 0 0 246.314 2.409 50 0 BEAARN O=C(c1cccnc1)N1CCCc2ncccc21 ZINC000023024493 132332898 /nfs/dbraw/zinc/33/28/98/132332898.db2.gz LTGXPLQUPPZYBK-UHFFFAOYSA-N 0 0 239.278 2.070 50 0 BEAARN CCC(=O)NCCN1c2ccccc2CC[C@@H]1C ZINC000032934723 132335908 /nfs/dbraw/zinc/33/59/08/132335908.db2.gz NWSXCZYVQHMJHU-LBPRGKRZSA-N 0 0 246.354 2.354 50 0 BEAARN C[C@@H]1CO[C@@H](C)CN1c1ncnc2ccccc21 ZINC000034870117 132336987 /nfs/dbraw/zinc/33/69/87/132336987.db2.gz AWSDCGJYXVSDQE-MNOVXSKESA-N 0 0 243.310 2.243 50 0 BEAARN O[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000040412249 132347336 /nfs/dbraw/zinc/34/73/36/132347336.db2.gz QFNYINOOGHNNRA-SECBINFHSA-N 0 0 246.232 2.062 50 0 BEAARN CCC(=O)c1ccc(F)cc1N1CCOCC1 ZINC000044124356 132353567 /nfs/dbraw/zinc/35/35/67/132353567.db2.gz VHQVLSGLXXVLHG-UHFFFAOYSA-N 0 0 237.274 2.255 50 0 BEAARN Nc1cc(Cl)c(N2CCOCC2)c(Cl)c1 ZINC000045885848 132354977 /nfs/dbraw/zinc/35/49/77/132354977.db2.gz RIQMQFHEXRECRU-UHFFFAOYSA-N 0 0 247.125 2.412 50 0 BEAARN Cc1nnc(CN2CCCc3ccccc32)n1C ZINC000047540923 132355282 /nfs/dbraw/zinc/35/52/82/132355282.db2.gz UIZYZRSBLWTQMD-UHFFFAOYSA-N 0 0 242.326 2.076 50 0 BEAARN C[C@@H]1C[C@H](C)C[N@H+](c2ccc(N)cc2C(=O)[O-])C1 ZINC000053224669 132362999 /nfs/dbraw/zinc/36/29/99/132362999.db2.gz PEPUMPQTKIHPMR-AOOOYVTPSA-N 0 0 248.326 2.449 50 0 BEAARN O=C([C@H]1CCCO1)N1CCSc2ccccc21 ZINC000057337822 132365629 /nfs/dbraw/zinc/36/56/29/132365629.db2.gz IFYUPKGAVRLPJT-LLVKDONJSA-N 0 0 249.335 2.304 50 0 BEAARN COc1cc(N)ccc1N1CCCCC1 ZINC000057363448 132365718 /nfs/dbraw/zinc/36/57/18/132365718.db2.gz MAGNNZDTPVFTPY-UHFFFAOYSA-N 0 0 206.289 2.268 50 0 BEAARN COCCC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000064554763 132389602 /nfs/dbraw/zinc/38/96/02/132389602.db2.gz NTINNDXFMAIHRI-NSHDSACASA-N 0 0 249.310 2.145 50 0 BEAARN CN1CCN(C(=O)C2CC=CC2)c2ccccc21 ZINC000089382865 132427692 /nfs/dbraw/zinc/42/76/92/132427692.db2.gz SGSOJBUEDJUVFE-UHFFFAOYSA-N 0 0 242.322 2.436 50 0 BEAARN O=Cc1ncccc1N1CCC(F)(F)CC1 ZINC000169725607 132445471 /nfs/dbraw/zinc/44/54/71/132445471.db2.gz JLHJMMRUQNUIQE-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN CC(C)=C(F)C(=O)N1CCOc2ccncc21 ZINC000225474984 132454177 /nfs/dbraw/zinc/45/41/77/132454177.db2.gz URBDFLDOQBISFI-UHFFFAOYSA-N 0 0 236.246 2.070 50 0 BEAARN O=C(CCc1nc2ccccc2o1)N1CCCC1 ZINC000032716496 133740133 /nfs/dbraw/zinc/74/01/33/133740133.db2.gz OBQQTWGQXSKMQZ-UHFFFAOYSA-N 0 0 244.294 2.383 50 0 BEAARN C[C@@H]([NH3+])C(=O)N1CCCCCc2ccccc21 ZINC000336098574 134080898 /nfs/dbraw/zinc/08/08/98/134080898.db2.gz YGJRLYZHOIDOLX-LLVKDONJSA-N 0 0 232.327 2.093 50 0 BEAARN O=C(NCC(F)F)[C@H]1CCCC(F)(F)C1 ZINC000336158362 134106707 /nfs/dbraw/zinc/10/67/07/134106707.db2.gz WBHSUANJFIVBKD-LURJTMIESA-N 0 0 227.201 2.193 50 0 BEAARN CCCCOc1ccc(OC)cc1NCCO ZINC000095409629 134441384 /nfs/dbraw/zinc/44/13/84/134441384.db2.gz XLGRRWIVAMVBFM-UHFFFAOYSA-N 0 0 239.315 2.278 50 0 BEAARN CCCn1cc(CNc2ncc(CC)cn2)cn1 ZINC000095375386 134441917 /nfs/dbraw/zinc/44/19/17/134441917.db2.gz UOUUJDJXZSCZPS-UHFFFAOYSA-N 0 0 245.330 2.258 50 0 BEAARN Cc1ccc(C(=O)N(C)CC(F)F)cc1O ZINC000163488140 134987994 /nfs/dbraw/zinc/98/79/94/134987994.db2.gz LKPIZJBUFPDDSB-UHFFFAOYSA-N 0 0 229.226 2.038 50 0 BEAARN O=C(C1CC=CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000077737539 135075574 /nfs/dbraw/zinc/07/55/74/135075574.db2.gz GXSJENUXPIHDHD-OLZOCXBDSA-N 0 0 235.327 2.123 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CCCO2)C1 ZINC000257365108 135131607 /nfs/dbraw/zinc/13/16/07/135131607.db2.gz ZWXNZDNOVGQVNM-NQBHXWOUSA-N 0 0 225.332 2.250 50 0 BEAARN C[C@@H]1C[C@H]1CC(=O)N1CC(C(F)(F)F)C1 ZINC000334773731 135808865 /nfs/dbraw/zinc/80/88/65/135808865.db2.gz VOXAMLIHPNWCEU-RQJHMYQMSA-N 0 0 221.222 2.053 50 0 BEAARN C[C@]1(NC(=O)[C@@H]2CC2(F)F)CC=CCC1 ZINC000334774056 135809275 /nfs/dbraw/zinc/80/92/75/135809275.db2.gz KHHOWVUWJWDENE-WPRPVWTQSA-N 0 0 215.243 2.257 50 0 BEAARN Cc1nocc1CNc1cncc(F)c1 ZINC000335187415 135966912 /nfs/dbraw/zinc/96/69/12/135966912.db2.gz QHJUQQJFKDTUQH-UHFFFAOYSA-N 0 0 207.208 2.129 50 0 BEAARN O=C(N[C@@H]1CC[C@@H](F)C1)c1cccs1 ZINC000335316402 136025237 /nfs/dbraw/zinc/02/52/37/136025237.db2.gz NNCGANMDTDTWMC-HTQZYQBOSA-N 0 0 213.277 2.369 50 0 BEAARN Cc1c[nH]cc1C(=O)N1CC(CC(F)F)C1 ZINC000335385250 136088533 /nfs/dbraw/zinc/08/85/33/136088533.db2.gz VQPNCRHICVCXNC-UHFFFAOYSA-N 0 0 228.242 2.050 50 0 BEAARN C[C@]1(C(=O)Nc2cccnc2)CC1(F)F ZINC000335561066 136106245 /nfs/dbraw/zinc/10/62/45/136106245.db2.gz IOHZLOWKSCTJMY-SECBINFHSA-N 0 0 212.199 2.065 50 0 BEAARN CC(F)(F)C(C)(C)C(=O)N[C@@H]1CC12CC2 ZINC000335566182 136107969 /nfs/dbraw/zinc/10/79/69/136107969.db2.gz YROASGIJUYHZJT-SSDOTTSWSA-N 0 0 217.259 2.337 50 0 BEAARN CC(C)CC(=O)NCCCc1ccc(O)cc1 ZINC000062139839 397733701 /nfs/dbraw/zinc/73/37/01/397733701.db2.gz VXZGQHIRNYPRNY-UHFFFAOYSA-N 0 0 235.327 2.487 50 0 BEAARN CC(F)(F)COc1ccc(CCO)cc1 ZINC000585662300 397796677 /nfs/dbraw/zinc/79/66/77/397796677.db2.gz SHRLPQUMUYRWMZ-UHFFFAOYSA-N 0 0 216.227 2.255 50 0 BEAARN COC(=O)CSCc1cccc(C)c1 ZINC000006401319 397800945 /nfs/dbraw/zinc/80/09/45/397800945.db2.gz QQPIABPHILNHIK-UHFFFAOYSA-N 0 0 210.298 2.401 50 0 BEAARN C[C@@]1(CO)CCC[C@H]1Nc1ccccn1 ZINC000098013798 397804676 /nfs/dbraw/zinc/80/46/76/397804676.db2.gz DOBSILVWMKGTTF-PWSUYJOCSA-N 0 0 206.289 2.045 50 0 BEAARN Nc1ccccc1-c1ncc2n1CCCC2 ZINC000170613041 397824745 /nfs/dbraw/zinc/82/47/45/397824745.db2.gz ILQMEAKYSAWHHV-UHFFFAOYSA-N 0 0 213.284 2.469 50 0 BEAARN CC[C@@H](C)CC(=O)N1CCOCC1(C)C ZINC000190043282 397825524 /nfs/dbraw/zinc/82/55/24/397825524.db2.gz WYPZEHRCSNVIQC-SNVBAGLBSA-N 0 0 213.321 2.060 50 0 BEAARN CCOc1ccccc1N[C@H](C)C(=O)NC1CC1 ZINC000007057023 397959396 /nfs/dbraw/zinc/95/93/96/397959396.db2.gz SGAAWSWKNLQWJY-SNVBAGLBSA-N 0 0 248.326 2.164 50 0 BEAARN O=C(CCc1ccccc1)NCc1ccncc1 ZINC000000437517 397915244 /nfs/dbraw/zinc/91/52/44/397915244.db2.gz MWAXHPDONZDMRJ-UHFFFAOYSA-N 0 0 240.306 2.331 50 0 BEAARN CN(C)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000000434025 397915691 /nfs/dbraw/zinc/91/56/91/397915691.db2.gz BJTLNKIQWVAXPC-UHFFFAOYSA-N 0 0 241.294 2.400 50 0 BEAARN O=Cc1ccccc1OC[C@@H]1CCCO1 ZINC000004384260 397924217 /nfs/dbraw/zinc/92/42/17/397924217.db2.gz ITNCGWPNAUAGTM-NSHDSACASA-N 0 0 206.241 2.057 50 0 BEAARN c1cnc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)nc1 ZINC000268943432 397998477 /nfs/dbraw/zinc/99/84/77/397998477.db2.gz GKMUPXMFIMYWSE-MJBXVCDLSA-N 0 0 237.306 2.474 50 0 BEAARN CC(=O)Nc1ccc(C)c(NC(=O)C2CC2)c1 ZINC000030831006 398000305 /nfs/dbraw/zinc/00/03/05/398000305.db2.gz IUFJSMCBOHLHQO-UHFFFAOYSA-N 0 0 232.283 2.302 50 0 BEAARN Cc1nc(-c2cccnc2)sc1C=O ZINC000034936271 398017536 /nfs/dbraw/zinc/01/75/36/398017536.db2.gz KHHZRQVJLBGSNM-UHFFFAOYSA-N 0 0 204.254 2.326 50 0 BEAARN Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N)c2c1 ZINC000036047734 398020875 /nfs/dbraw/zinc/02/08/75/398020875.db2.gz GLGYJXDKOKYSSS-UHFFFAOYSA-N 0 0 216.240 2.132 50 0 BEAARN C[C@@]1(F)CCCN(Cc2nccs2)C1 ZINC000295950392 398022132 /nfs/dbraw/zinc/02/21/32/398022132.db2.gz HAIBKSUOIVSWEI-SNVBAGLBSA-N 0 0 214.309 2.467 50 0 BEAARN COc1cc(O)c(Br)cc1OC ZINC000065337279 398082999 /nfs/dbraw/zinc/08/29/99/398082999.db2.gz YGMAGXHPUIGKFF-UHFFFAOYSA-N 0 0 233.061 2.172 50 0 BEAARN O=c1ccc(-c2noc(-c3ccsc3)n2)c[nH]1 ZINC000075505184 398084090 /nfs/dbraw/zinc/08/40/90/398084090.db2.gz UOMLGLUJOYXWJD-UHFFFAOYSA-N 0 0 245.263 2.153 50 0 BEAARN CC(C)(C)OC(=O)Nc1ccc(Cl)nn1 ZINC000066322803 398090821 /nfs/dbraw/zinc/09/08/21/398090821.db2.gz FTDBVEUCBIBDHS-UHFFFAOYSA-N 0 0 229.667 2.477 50 0 BEAARN O=Cc1cc(Cl)ncc1Br ZINC000066324263 398090869 /nfs/dbraw/zinc/09/08/69/398090869.db2.gz MAGFXBKNQAAQQA-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN OCCC[C@@H]1Nc2ccccc2[C@H]2OCC[C@@H]21 ZINC000198699079 398111579 /nfs/dbraw/zinc/11/15/79/398111579.db2.gz FQGNBLGCJWXWPK-KWCYVHTRSA-N 0 0 233.311 2.331 50 0 BEAARN CC(C)NC(=O)N1CCc2ccccc21 ZINC000047463783 167070761 /nfs/dbraw/zinc/07/07/61/167070761.db2.gz GSBHWFRJIBYTAD-UHFFFAOYSA-N 0 0 204.273 2.167 50 0 BEAARN CSCCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000033023787 175466903 /nfs/dbraw/zinc/46/69/03/175466903.db2.gz BGKMIJJZBSSZOC-UWVGGRQHSA-N 0 0 215.362 2.244 50 0 BEAARN CC(C)OC(=O)c1cc(N)c(Cl)c(N)c1 ZINC000034925601 167172489 /nfs/dbraw/zinc/17/24/89/167172489.db2.gz HRYLBKAUVIHKJF-UHFFFAOYSA-N 0 0 228.679 2.070 50 0 BEAARN C=CC(=O)NCCc1nc2ccccc2s1 ZINC000040798643 487573977 /nfs/dbraw/zinc/57/39/77/487573977.db2.gz HAVBQKGNXKETSB-UHFFFAOYSA-N 0 0 232.308 2.141 50 0 BEAARN CC(C)S(=O)(=O)c1ccc(F)cc1 ZINC000034265330 167319093 /nfs/dbraw/zinc/31/90/93/167319093.db2.gz HDBPGUFVMVNSOC-UHFFFAOYSA-N 0 0 202.250 2.008 50 0 BEAARN CC(C)SCC(=O)N(C)CC(F)(F)F ZINC000097285186 167320306 /nfs/dbraw/zinc/32/03/06/167320306.db2.gz DIXARTBQNGAZDP-UHFFFAOYSA-N 0 0 229.267 2.149 50 0 BEAARN COc1cccc(-n2cc(C3CC3)nn2)c1 ZINC000072155802 409844794 /nfs/dbraw/zinc/84/47/94/409844794.db2.gz BAEDYACRRIAFMV-UHFFFAOYSA-N 0 0 215.256 2.153 50 0 BEAARN CCCCNC(=O)CCc1c(C)noc1C ZINC000044998009 409871948 /nfs/dbraw/zinc/87/19/48/409871948.db2.gz CQHKSAVQLNCBNK-UHFFFAOYSA-N 0 0 224.304 2.140 50 0 BEAARN Brc1cc2ccccc2nn1 ZINC000038540769 166096342 /nfs/dbraw/zinc/09/63/42/166096342.db2.gz MEYRUXMLXSGXKP-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc([C@H]2C[NH2+]CCO2)s1 ZINC000038002249 166099032 /nfs/dbraw/zinc/09/90/32/166099032.db2.gz ITEVHYHKVJMLFI-ZCFIWIBFSA-N 0 0 248.145 2.172 50 0 BEAARN Brc1ccc2cnccc2n1 ZINC000026438365 166099171 /nfs/dbraw/zinc/09/91/71/166099171.db2.gz GGZVAKCVQZKTOY-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc2c(c1)OCCN2 ZINC000040448837 166099517 /nfs/dbraw/zinc/09/95/17/166099517.db2.gz JLZUUGCTPRPFKZ-UHFFFAOYSA-N 0 0 214.062 2.253 50 0 BEAARN Brc1cccc(Cn2cncn2)c1 ZINC000040448041 166101827 /nfs/dbraw/zinc/10/18/27/166101827.db2.gz DYDRIZFISHUHRZ-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN COc1ncccc1NC(=O)Nc1cccnc1 ZINC000048768002 410185006 /nfs/dbraw/zinc/18/50/06/410185006.db2.gz YFPBPCVKVGZCBT-UHFFFAOYSA-N 0 0 244.254 2.129 50 0 BEAARN Brc1ccn([C@H]2CCCCO2)n1 ZINC000071773484 166103106 /nfs/dbraw/zinc/10/31/06/166103106.db2.gz DFCAINPSKAFWCM-MRVPVSSYSA-N 0 0 231.093 2.345 50 0 BEAARN Brc1cncc(-n2cccn2)c1 ZINC000072192785 166103935 /nfs/dbraw/zinc/10/39/35/166103935.db2.gz QSBMUGHGWPSMLJ-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN CC(C)Cc1noc(Cn2cc(Cl)cn2)n1 ZINC000112969176 410246604 /nfs/dbraw/zinc/24/66/04/410246604.db2.gz GVNAFCLFQWXLGO-UHFFFAOYSA-N 0 0 240.694 2.166 50 0 BEAARN Brc1cnn([C@H]2CCCCO2)c1 ZINC000038537562 166105753 /nfs/dbraw/zinc/10/57/53/166105753.db2.gz HDNCEUNJWJHWMO-MRVPVSSYSA-N 0 0 231.093 2.345 50 0 BEAARN Brc1cncc2cccnc12 ZINC000000331055 166106847 /nfs/dbraw/zinc/10/68/47/166106847.db2.gz PQBNZTONCGWKCZ-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN O=C([O-])[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000246722578 410394968 /nfs/dbraw/zinc/39/49/68/410394968.db2.gz DFBZUMNXYJBKHC-OCCSQVGLSA-N 0 0 245.322 2.471 50 0 BEAARN C(=C\c1ccccc1)\COn1ccnc1 ZINC000012959445 166227550 /nfs/dbraw/zinc/22/75/50/166227550.db2.gz ZIHQJCDDFLUDGA-DAXSKMNVSA-N 0 0 200.241 2.025 50 0 BEAARN C(=C\c1ccccc1)\c1nn2cnnc2s1 ZINC000033477822 166227895 /nfs/dbraw/zinc/22/78/95/166227895.db2.gz SOIGPUYMCCVGOJ-SREVYHEPSA-N 0 0 228.280 2.356 50 0 BEAARN C/C(=C/C(=O)N1CCC[C@@H]1CO)c1ccccc1 ZINC000153943649 166231852 /nfs/dbraw/zinc/23/18/52/166231852.db2.gz GTEKTSDWYBDPNM-GAJOTYCWSA-N 0 0 245.322 2.073 50 0 BEAARN CCN(CC)C(=O)[C@H]1COc2ccccc2C1 ZINC000032784531 169759458 /nfs/dbraw/zinc/75/94/58/169759458.db2.gz PFODEYDKGWMRBT-GFCCVEGCSA-N 0 0 233.311 2.106 50 0 BEAARN CCN(CC)C(=O)c1cc(F)cc(F)c1 ZINC000028210519 169759792 /nfs/dbraw/zinc/75/97/92/169759792.db2.gz IAEJNPYPHDBMLW-UHFFFAOYSA-N 0 0 213.227 2.447 50 0 BEAARN CC(=O)c1cccc(NCc2nc(C)no2)c1 ZINC000024661893 166477409 /nfs/dbraw/zinc/47/74/09/166477409.db2.gz LLLZMNGMLFRRHC-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN CC(=O)c1ccccc1OC(=S)N(C)C ZINC000005064799 166483697 /nfs/dbraw/zinc/48/36/97/166483697.db2.gz JHTOVEBCZYGJCT-UHFFFAOYSA-N 0 0 223.297 2.115 50 0 BEAARN CC(=O)c1cn(C(C)=O)c2ncc(C)cc12 ZINC000039961367 166485336 /nfs/dbraw/zinc/48/53/36/166485336.db2.gz ASIYQWHKYITYAO-UHFFFAOYSA-N 0 0 216.240 2.207 50 0 BEAARN CC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000072160558 166486262 /nfs/dbraw/zinc/48/62/62/166486262.db2.gz SRBRNDCAHLWKTL-UHFFFAOYSA-N 0 0 235.674 2.182 50 0 BEAARN CC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000041194563 166526153 /nfs/dbraw/zinc/52/61/53/166526153.db2.gz IBDMIFOARPMDBY-MNOVXSKESA-N 0 0 225.332 2.203 50 0 BEAARN CC(C)(C)C(=O)Nc1nnc(C(F)F)s1 ZINC000049043576 166535559 /nfs/dbraw/zinc/53/55/59/166535559.db2.gz AQCJBBRHMWMWJL-UHFFFAOYSA-N 0 0 235.259 2.460 50 0 BEAARN CC(C)C(=O)N(Cc1ccccn1)C1CC1 ZINC000040489432 166706456 /nfs/dbraw/zinc/70/64/56/166706456.db2.gz KGPMPHHZESFBDI-UHFFFAOYSA-N 0 0 218.300 2.229 50 0 BEAARN CC(C)CCOC(=O)[C@@H]1CCCC[C@@H]1O ZINC000000506682 166870775 /nfs/dbraw/zinc/87/07/75/166870775.db2.gz NEGXKXUAVASAAB-MNOVXSKESA-N 0 0 214.305 2.127 50 0 BEAARN CC(C)CNC(=O)c1nnc(-c2ccccc2)o1 ZINC000041124406 167000559 /nfs/dbraw/zinc/00/05/59/167000559.db2.gz PTWDXRRZYJVAPQ-UHFFFAOYSA-N 0 0 245.282 2.122 50 0 BEAARN CC(C)NC(=O)CNc1ccc(Cl)cc1 ZINC000009454417 167060566 /nfs/dbraw/zinc/06/05/66/167060566.db2.gz HHKXKXTZBHIASZ-UHFFFAOYSA-N 0 0 226.707 2.277 50 0 BEAARN CC(C)NC(=O)CSCc1ccccc1 ZINC000006306665 167062730 /nfs/dbraw/zinc/06/27/30/167062730.db2.gz ZFHPUIMXHSHHLV-UHFFFAOYSA-N 0 0 223.341 2.444 50 0 BEAARN CC(C)NC(=O)NCCc1cc2ccccc2[nH]1 ZINC000095429631 167073910 /nfs/dbraw/zinc/07/39/10/167073910.db2.gz INZPHRKRPXOLFP-UHFFFAOYSA-N 0 0 245.326 2.418 50 0 BEAARN CC(C)NC(=O)N[C@@H](C)CCc1cccn1C ZINC000096431293 167076393 /nfs/dbraw/zinc/07/63/93/167076393.db2.gz BSZZNVLPDHHTHG-NSHDSACASA-N 0 0 237.347 2.054 50 0 BEAARN CC(C)NC(=O)c1c(N)sc2c1CCCC2 ZINC000104279460 167085916 /nfs/dbraw/zinc/08/59/16/167085916.db2.gz BWILEBUWTSSKSE-UHFFFAOYSA-N 0 0 238.356 2.347 50 0 BEAARN CC(C)NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000004722496 167087753 /nfs/dbraw/zinc/08/77/53/167087753.db2.gz UNGLBDMKVHVQJT-UHFFFAOYSA-N 0 0 248.326 2.419 50 0 BEAARN CC(C)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000095965866 167145716 /nfs/dbraw/zinc/14/57/16/167145716.db2.gz MTNIGWGZNHFMPV-UHFFFAOYSA-N 0 0 245.319 2.191 50 0 BEAARN CC(C)OC(=O)c1ccc(-n2cccn2)cc1 ZINC000004834416 167171914 /nfs/dbraw/zinc/17/19/14/167171914.db2.gz XNBOENSBTUGIAG-UHFFFAOYSA-N 0 0 230.267 2.438 50 0 BEAARN CC[NH+](CC)CCOc1ccc(C(=O)[O-])cc1 ZINC000011957989 169782993 /nfs/dbraw/zinc/78/29/93/169782993.db2.gz RFZUHDIOOUSIQT-UHFFFAOYSA-N 0 0 237.299 2.105 50 0 BEAARN CC(C)OCCCNC(=O)CCc1ccco1 ZINC000052894082 167217942 /nfs/dbraw/zinc/21/79/42/167217942.db2.gz AXCLTPAOSLIYSS-UHFFFAOYSA-N 0 0 239.315 2.144 50 0 BEAARN CC(C)Oc1ccc(Nc2nccc(=O)[nH]2)cc1 ZINC000011991427 167296856 /nfs/dbraw/zinc/29/68/56/167296856.db2.gz KWLKJWBSASLSDY-UHFFFAOYSA-N 0 0 245.282 2.301 50 0 BEAARN CC(C)Sc1ccc([C@@H]([NH3+])C(=O)[O-])cc1 ZINC000082540237 167336472 /nfs/dbraw/zinc/33/64/72/167336472.db2.gz PWKSUWUZCSCTDM-SNVBAGLBSA-N 0 0 225.313 2.272 50 0 BEAARN CC(C)c1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000000170065 167618923 /nfs/dbraw/zinc/61/89/23/167618923.db2.gz XRDCVKSGZNDEDT-LLVKDONJSA-N 0 0 207.273 2.285 50 0 biogenic BEAARN CC(C)c1csc(NC(=O)c2cnccn2)n1 ZINC000010637434 167652506 /nfs/dbraw/zinc/65/25/06/167652506.db2.gz LXNGUEZRVCQJNP-UHFFFAOYSA-N 0 0 248.311 2.309 50 0 BEAARN COCc1noc(-c2cccc3[nH]ccc32)n1 ZINC000045894882 411149806 /nfs/dbraw/zinc/14/98/06/411149806.db2.gz PAUXDNABNVYKMP-UHFFFAOYSA-N 0 0 229.239 2.364 50 0 BEAARN CC(C)c1nnc2sc(-c3cccnc3)nn21 ZINC000004487539 167714226 /nfs/dbraw/zinc/71/42/26/167714226.db2.gz MRDXRGLGDYLRKJ-UHFFFAOYSA-N 0 0 245.311 2.371 50 0 BEAARN CC(C)c1noc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000089893648 167723545 /nfs/dbraw/zinc/72/35/45/167723545.db2.gz IRMPPCMVYNSYQA-NXEZZACHSA-N 0 0 221.304 2.429 50 0 BEAARN C(CCO[C@@H]1CCCO1)CO[C@H]1CCCO1 ZINC000197904531 411123861 /nfs/dbraw/zinc/12/38/61/411123861.db2.gz IUTBSRFVMUCRTN-TXEJJXNPSA-N 0 0 230.304 2.073 50 0 BEAARN Nc1ccccc1-c1nc(-c2ccoc2)n[nH]1 ZINC000058134044 411182026 /nfs/dbraw/zinc/18/20/26/411182026.db2.gz UJFKTCMTNJTXGE-UHFFFAOYSA-N 0 0 226.239 2.314 50 0 BEAARN Cc1nc(CC(=O)N2CCC[C@H](C)C2)cs1 ZINC000048324697 411186692 /nfs/dbraw/zinc/18/66/92/411186692.db2.gz ADMDUHQQBUKQCO-VIFPVBQESA-N 0 0 238.356 2.253 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000048331674 411189183 /nfs/dbraw/zinc/18/91/83/411189183.db2.gz VZCHIDUJWUEHCE-CMPLNLGQSA-N 0 0 241.294 2.467 50 0 BEAARN CCN(CC)c1cccc(NC(C)=O)c1 ZINC000000163344 169804763 /nfs/dbraw/zinc/80/47/63/169804763.db2.gz FPUKYOSOAAPHTN-UHFFFAOYSA-N 0 0 206.289 2.491 50 0 BEAARN CCCCN(C)C(=O)C(=O)c1ccc(OC)cc1 ZINC000049836964 411246904 /nfs/dbraw/zinc/24/69/04/411246904.db2.gz DPODYWYKLNDXHJ-UHFFFAOYSA-N 0 0 249.310 2.136 50 0 BEAARN C[C@@H](CC(=O)Nc1ncccc1O)C1CC1 ZINC000049086669 411223084 /nfs/dbraw/zinc/22/30/84/411223084.db2.gz UWWMHGPSKGLMRK-QMMMGPOBSA-N 0 0 220.272 2.162 50 0 BEAARN Cc1cc(C(=O)NC(C)(C)c2ccccc2)[nH]n1 ZINC000049314840 411231361 /nfs/dbraw/zinc/23/13/61/411231361.db2.gz LCFUYGSWMOGLFA-UHFFFAOYSA-N 0 0 243.310 2.383 50 0 BEAARN CC1(C)[C@@H]2C[C@H]3SCC(=O)O[C@]3(C)C[C@@H]21 ZINC000000519850 168014018 /nfs/dbraw/zinc/01/40/18/168014018.db2.gz YOBUCQAMBRSDSP-JXVAYASWSA-N 0 0 226.341 2.470 50 0 biogenic BEAARN CC1(CNC(=O)CC2CCCC2)CCOCC1 ZINC000169751710 168028020 /nfs/dbraw/zinc/02/80/20/168028020.db2.gz MRZXAIHNJQIBLV-UHFFFAOYSA-N 0 0 239.359 2.500 50 0 BEAARN CC1(CNC(=O)CCCc2ccccc2)COC1 ZINC000083520917 168030410 /nfs/dbraw/zinc/03/04/10/168030410.db2.gz RYWBGLSGBHCDRA-UHFFFAOYSA-N 0 0 247.338 2.162 50 0 BEAARN CC(C)(C)OC(=O)NC1CCC(C)(O)CC1 ZINC000051971855 168065757 /nfs/dbraw/zinc/06/57/57/168065757.db2.gz DZKXFTPOGGFHOX-UHFFFAOYSA-N 0 0 229.320 2.205 50 0 BEAARN CC1=C(Cl)c2ccccc2S1(=O)=O ZINC000000291622 168087998 /nfs/dbraw/zinc/08/79/98/168087998.db2.gz IIKVZRAWACGDGZ-UHFFFAOYSA-N 0 0 214.673 2.401 50 0 BEAARN CC1CC(C(=O)N2CCS[C@H](C)[C@H]2C)C1 ZINC000084766867 168139481 /nfs/dbraw/zinc/13/94/81/168139481.db2.gz IJDTUOJQTXCTLD-WYNUPADASA-N 0 0 227.373 2.385 50 0 BEAARN CC1CCC(C)(NC(=O)NC2CC2)CC1 ZINC000065588427 168151147 /nfs/dbraw/zinc/15/11/47/168151147.db2.gz AZMDVCLUZXXNNF-UHFFFAOYSA-N 0 0 210.321 2.417 50 0 BEAARN CC1CCN(C(=O)[C@@H]2CCCS2)CC1 ZINC000082301702 168175376 /nfs/dbraw/zinc/17/53/76/168175376.db2.gz JVWPCHSCPLCQHO-JTQLQIEISA-N 0 0 213.346 2.141 50 0 BEAARN CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000000046723 168186613 /nfs/dbraw/zinc/18/66/13/168186613.db2.gz NQZSQDCZUCSNJO-UHFFFAOYSA-N 0 0 245.369 2.169 50 0 BEAARN CCC(=O)/N=c1/sc2cc(C)ccc2n1C ZINC000100812016 168197126 /nfs/dbraw/zinc/19/71/26/168197126.db2.gz JSEDGKOVEOJWQN-OUKQBFOZSA-N 0 0 234.324 2.386 50 0 BEAARN CCC(=O)N(C)c1nc2ccccc2o1 ZINC000012973156 168212486 /nfs/dbraw/zinc/21/24/86/168212486.db2.gz SKRATEUXJUCHQM-UHFFFAOYSA-N 0 0 204.229 2.201 50 0 BEAARN CCC(=O)N(Cc1ccccc1)CC(C)(C)O ZINC000096493091 168213988 /nfs/dbraw/zinc/21/39/88/168213988.db2.gz QTBUFJCLBWBIHU-UHFFFAOYSA-N 0 0 235.327 2.196 50 0 BEAARN CCC(=O)NCC1(O)CCC(C(C)(C)C)CC1 ZINC000071893324 168229000 /nfs/dbraw/zinc/22/90/00/168229000.db2.gz UGRVLQOPGIYXCF-UHFFFAOYSA-N 0 0 241.375 2.480 50 0 BEAARN CCC(=O)NCCc1cccc2cccnc21 ZINC000032898882 168230173 /nfs/dbraw/zinc/23/01/73/168230173.db2.gz LPQYGTJPBGYVGS-UHFFFAOYSA-N 0 0 228.295 2.304 50 0 BEAARN CCC(=O)NCc1noc(-c2ccc(C)cc2)n1 ZINC000064988259 168234354 /nfs/dbraw/zinc/23/43/54/168234354.db2.gz YKIFBVZNDPGAHA-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CCC(=O)Nc1cc(F)c(OC)cc1OC ZINC000089941770 168242911 /nfs/dbraw/zinc/24/29/11/168242911.db2.gz LJRAMDPVJXNYKE-UHFFFAOYSA-N 0 0 227.235 2.191 50 0 BEAARN CCC(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000014553747 168244083 /nfs/dbraw/zinc/24/40/83/168244083.db2.gz RZHIUYHSWYMOBN-UHFFFAOYSA-N 0 0 234.299 2.173 50 0 BEAARN CCC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000020360226 168244906 /nfs/dbraw/zinc/24/49/06/168244906.db2.gz RULBWFSTABSKLD-UHFFFAOYSA-N 0 0 219.288 2.030 50 0 BEAARN CCC(=O)Nc1ccccc1NC(=O)CC ZINC000000068544 168246555 /nfs/dbraw/zinc/24/65/55/168246555.db2.gz HWGNLPYYGYTREU-UHFFFAOYSA-N 0 0 220.272 2.384 50 0 BEAARN CCC(=O)Nc1ccnn1C1CCCC1 ZINC000044869386 168246994 /nfs/dbraw/zinc/24/69/94/168246994.db2.gz YGNDIOXNYDGSCV-UHFFFAOYSA-N 0 0 207.277 2.347 50 0 BEAARN CCC(=O)Nc1ccnn1Cc1ccc(C)o1 ZINC000060441138 168247254 /nfs/dbraw/zinc/24/72/54/168247254.db2.gz YNBGARYRKQCGDY-UHFFFAOYSA-N 0 0 233.271 2.181 50 0 BEAARN CCC(=O)Nc1nc2c(s1)CCCC2 ZINC000004530288 168248927 /nfs/dbraw/zinc/24/89/27/168248927.db2.gz LDGQOXHQWNHBOO-UHFFFAOYSA-N 0 0 210.302 2.370 50 0 BEAARN CCC(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000000297547 168249183 /nfs/dbraw/zinc/24/91/83/168249183.db2.gz UAAJNBUPQKMFNS-UHFFFAOYSA-N 0 0 247.323 2.477 50 0 BEAARN CCC(=O)OCc1cc2cccc(C)c2[nH]c1=O ZINC000008762730 168250288 /nfs/dbraw/zinc/25/02/88/168250288.db2.gz OPEWGRPOETTYCM-UHFFFAOYSA-N 0 0 245.278 2.290 50 0 BEAARN CCC(=O)Oc1ccc2oc(=O)cc(C)c2c1 ZINC000000449265 168251114 /nfs/dbraw/zinc/25/11/14/168251114.db2.gz BUBWUDTZAZFZKT-UHFFFAOYSA-N 0 0 232.235 2.417 50 0 biogenic BEAARN CCC(=O)[C@@H](C)OC(=O)c1cccnc1Cl ZINC000095954539 168251698 /nfs/dbraw/zinc/25/16/98/168251698.db2.gz IMINQTHJEMBPAR-SSDOTTSWSA-N 0 0 241.674 2.259 50 0 BEAARN CCC(=O)c1cc(OC)c2c(c1OC)OCO2 ZINC000065336640 168255146 /nfs/dbraw/zinc/25/51/46/168255146.db2.gz ULIALFNCJGGZBT-UHFFFAOYSA-N 0 0 238.239 2.025 50 0 BEAARN CCC(=O)n1ccc(C(=O)Nc2ccccc2)n1 ZINC000000045809 168259274 /nfs/dbraw/zinc/25/92/74/168259274.db2.gz PXZOARRWISFUCS-UHFFFAOYSA-N 0 0 243.266 2.186 50 0 BEAARN CCC(C)(C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000000030844 168268965 /nfs/dbraw/zinc/26/89/65/168268965.db2.gz GASLJINTRCQCRF-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN CCC(C)(C)NC(=O)Cc1cn2ccccc2n1 ZINC000040489170 168291369 /nfs/dbraw/zinc/29/13/69/168291369.db2.gz JISJCIGUFYPPSK-UHFFFAOYSA-N 0 0 245.326 2.182 50 0 BEAARN CC(=O)N1C[C@@]23C=C[C@@H](C[C@H]2CC12CCCC2)O3 ZINC000005824948 411411360 /nfs/dbraw/zinc/41/13/60/411411360.db2.gz QLOISECRUXBCQN-YDHLFZDLSA-N 0 0 247.338 2.265 50 0 BEAARN CCN(c1nnc(N)s1)c1ccccc1 ZINC000045796090 169944042 /nfs/dbraw/zinc/94/40/42/169944042.db2.gz ZWAIPLQBOOHEMM-UHFFFAOYSA-N 0 0 220.301 2.278 50 0 BEAARN CCNC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000071882628 170070878 /nfs/dbraw/zinc/07/08/78/170070878.db2.gz WPPSPPNQEUVJGU-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN CCNC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000049088654 170071324 /nfs/dbraw/zinc/07/13/24/170071324.db2.gz KMEAUTGAZXYJHK-UHFFFAOYSA-N 0 0 244.294 2.329 50 0 BEAARN CCNC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000038566759 170074696 /nfs/dbraw/zinc/07/46/96/170074696.db2.gz MWJMJPJFFJEVIN-GFCCVEGCSA-N 0 0 248.326 2.214 50 0 BEAARN CCNC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000098013996 170074886 /nfs/dbraw/zinc/07/48/86/170074886.db2.gz QRVPOMSSPMEJKM-WCQYABFASA-N 0 0 248.326 2.178 50 0 BEAARN CCNC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000098013997 170075123 /nfs/dbraw/zinc/07/51/23/170075123.db2.gz QRVPOMSSPMEJKM-DGCLKSJQSA-N 0 0 248.326 2.178 50 0 BEAARN CCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000075107891 170076019 /nfs/dbraw/zinc/07/60/19/170076019.db2.gz CDFANPZPBBXYIG-MXWKQRLJSA-N 0 0 210.321 2.369 50 0 BEAARN CCNC(=O)NC[C@H](C)Sc1ccccc1 ZINC000080621565 170080168 /nfs/dbraw/zinc/08/01/68/170080168.db2.gz YXXNELIBSAUIHZ-JTQLQIEISA-N 0 0 238.356 2.486 50 0 BEAARN CCNC(=O)NCc1cc(C(CC)CC)no1 ZINC000080581182 170081415 /nfs/dbraw/zinc/08/14/15/170081415.db2.gz IIQZVPYRMGNOBF-UHFFFAOYSA-N 0 0 239.319 2.397 50 0 BEAARN CCNC(=O)Oc1ccc(-c2csnn2)cc1 ZINC000001387541 170085060 /nfs/dbraw/zinc/08/50/60/170085060.db2.gz VSHNRASUUBQGMG-UHFFFAOYSA-N 0 0 249.295 2.313 50 0 BEAARN CCNC(=O)Nc1cccc(NC(=O)CC)c1 ZINC000044104838 170085538 /nfs/dbraw/zinc/08/55/38/170085538.db2.gz QIOXYNCCTPCOHY-UHFFFAOYSA-N 0 0 235.287 2.177 50 0 BEAARN CCNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000013709563 170096507 /nfs/dbraw/zinc/09/65/07/170096507.db2.gz NLVZBQPKUMFKKY-QMMMGPOBSA-N 0 0 227.691 2.243 50 0 BEAARN CCNC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000013710100 170096758 /nfs/dbraw/zinc/09/67/58/170096758.db2.gz QQTAMSYNLHJDOC-NSHDSACASA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000227165829 170097251 /nfs/dbraw/zinc/09/72/51/170097251.db2.gz RXQXFOFTBMRYAZ-NSHDSACASA-N 0 0 243.310 2.247 50 0 BEAARN CCNC(=O)c1cc(C)n(C(C)C)c1C ZINC000033026374 170100178 /nfs/dbraw/zinc/10/01/78/170100178.db2.gz PQHCAUCKSWWLBN-UHFFFAOYSA-N 0 0 208.305 2.436 50 0 BEAARN CCNC(=O)c1sc(-c2cccnc2)nc1C ZINC000016626047 170105646 /nfs/dbraw/zinc/10/56/46/170105646.db2.gz PLHJNOLBWWNLMH-UHFFFAOYSA-N 0 0 247.323 2.263 50 0 BEAARN CCNc1c(C=O)c(=O)oc2ccccc21 ZINC000000337353 170170585 /nfs/dbraw/zinc/17/05/85/170170585.db2.gz YVXRPLSLGJTXGY-UHFFFAOYSA-N 0 0 217.224 2.037 50 0 BEAARN CCO/C=C1\N=C(c2ccc(F)cc2)OC1=O ZINC000012433213 170179640 /nfs/dbraw/zinc/17/96/40/170179640.db2.gz QPFMVKFJCPVERI-YFHOEESVSA-N 0 0 235.214 2.007 50 0 aggregator BEAARN CCOC(=O)/C=C/c1ccnc(Cl)c1 ZINC000002547601 170183102 /nfs/dbraw/zinc/18/31/02/170183102.db2.gz CVPOUFVXENKYKW-ONEGZZNKSA-N 0 0 211.648 2.311 50 0 BEAARN CCOC(=O)C(=O)c1cccc(SC)c1 ZINC000043504589 170184767 /nfs/dbraw/zinc/18/47/67/170184767.db2.gz DOWLMJUETKTDPP-UHFFFAOYSA-N 0 0 224.281 2.154 50 0 BEAARN CCOC(=O)C(=O)c1c[nH]c2c1cccc2CC ZINC000002556346 170184803 /nfs/dbraw/zinc/18/48/03/170184803.db2.gz GNBNYDFJCJIVKD-UHFFFAOYSA-N 0 0 245.278 2.476 50 0 BEAARN CCOC(=O)C1=Cc2ccccc2OC1 ZINC000001708776 170191991 /nfs/dbraw/zinc/19/19/91/170191991.db2.gz VAANEDBEKZZBRU-UHFFFAOYSA-N 0 0 204.225 2.026 50 0 BEAARN CCOC(=O)CCC(=O)c1cccnc1Cl ZINC000002392702 170198522 /nfs/dbraw/zinc/19/85/22/170198522.db2.gz HYJCUSFTYDWKMU-UHFFFAOYSA-N 0 0 241.674 2.261 50 0 BEAARN CCOC(=O)CCNc1nc2ccccc2o1 ZINC000044572553 170210211 /nfs/dbraw/zinc/21/02/11/170210211.db2.gz SCKFBEAFPPPMRM-UHFFFAOYSA-N 0 0 234.255 2.193 50 0 BEAARN CCOC(=O)CN(C)Cc1sccc1C ZINC000048374147 170216176 /nfs/dbraw/zinc/21/61/76/170216176.db2.gz LRIZIIQRMMKVNR-UHFFFAOYSA-N 0 0 227.329 2.051 50 0 BEAARN CCOC(=O)COc1ccc(-n2cccc2)cc1 ZINC000098063831 170228868 /nfs/dbraw/zinc/22/88/68/170228868.db2.gz RINKONVSALGPSF-UHFFFAOYSA-N 0 0 245.278 2.419 50 0 BEAARN CCOC(=O)COc1ccccc1OCC ZINC000000295475 170229315 /nfs/dbraw/zinc/22/93/15/170229315.db2.gz SLRDRVWICWHCAO-UHFFFAOYSA-N 0 0 224.256 2.027 50 0 BEAARN CCOC(=O)CSc1cccc(F)c1 ZINC000087111794 170230149 /nfs/dbraw/zinc/23/01/49/170230149.db2.gz PSKSRGJUHTYQFN-UHFFFAOYSA-N 0 0 214.261 2.481 50 0 BEAARN CCOC(=O)C[C@H](C)Nc1ccccc1 ZINC000034076798 170232907 /nfs/dbraw/zinc/23/29/07/170232907.db2.gz YBISWBSFVLJVLN-JTQLQIEISA-N 0 0 207.273 2.440 50 0 BEAARN CCOC(=O)Cc1cc(C)c(F)cc1F ZINC000259987661 170234953 /nfs/dbraw/zinc/23/49/53/170234953.db2.gz HSWBTMWDQADBFU-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)N1C=Cc2c[nH]cc2C(C)=N1 ZINC000007043798 170239251 /nfs/dbraw/zinc/23/92/51/170239251.db2.gz YAXCLBMZYCYTSL-UHFFFAOYSA-N 0 0 219.244 2.182 50 0 BEAARN CCOC(=O)Nc1ccc(OC)cc1OC ZINC000000110841 170244085 /nfs/dbraw/zinc/24/40/85/170244085.db2.gz AAQUZLDNXFPNNU-UHFFFAOYSA-N 0 0 225.244 2.272 50 0 BEAARN CCOC(=O)[C@@H](C)Sc1ccc(C)cn1 ZINC000299475587 170248510 /nfs/dbraw/zinc/24/85/10/170248510.db2.gz DCGIGOKAXNDNSY-SECBINFHSA-N 0 0 225.313 2.434 50 0 BEAARN CCOC(=O)[C@@H](CC)[C@@H](O)c1ccccc1 ZINC000001095280 170250943 /nfs/dbraw/zinc/25/09/43/170250943.db2.gz MCJORAPHPVJYNZ-RYUDHWBXSA-N 0 0 222.284 2.309 50 0 BEAARN CCOC(=O)[C@@H]1CC=CN1C(=O)OC(C)(C)C ZINC000039020531 170257373 /nfs/dbraw/zinc/25/73/73/170257373.db2.gz AZVLZXHTXUIWRZ-VIFPVBQESA-N 0 0 241.287 2.073 50 0 BEAARN CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC000035630205 170259062 /nfs/dbraw/zinc/25/90/62/170259062.db2.gz DOYDSCPXUVCTPG-OLZOCXBDSA-N 0 0 233.311 2.433 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@@H](c2ccsc2)N1 ZINC000098072892 170259939 /nfs/dbraw/zinc/25/99/39/170259939.db2.gz LRDCRUIGTYLONY-IUCAKERBSA-N 0 0 243.353 2.015 50 0 BEAARN CCOC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000000162742 170269092 /nfs/dbraw/zinc/26/90/92/170269092.db2.gz CKUZLPDJOVBVCP-JTQLQIEISA-N 0 0 208.257 2.325 50 0 BEAARN CCOC(=O)[C@H](C)Oc1ccccc1F ZINC000038867227 170269311 /nfs/dbraw/zinc/26/93/11/170269311.db2.gz APSOLVJFFLPJAW-QMMMGPOBSA-N 0 0 212.220 2.156 50 0 BEAARN CCOC(=O)[C@H](CC)[C@H](O)c1ccccc1 ZINC000001095279 170272732 /nfs/dbraw/zinc/27/27/32/170272732.db2.gz MCJORAPHPVJYNZ-VXGBXAGGSA-N 0 0 222.284 2.309 50 0 BEAARN CCOC(=O)[C@H](O)c1ccc(Cl)c(F)c1 ZINC000050976377 170278267 /nfs/dbraw/zinc/27/82/67/170278267.db2.gz ZNSRYRUHAPLUPG-SECBINFHSA-N 0 0 232.638 2.076 50 0 BEAARN CCOC(=O)[C@H](O)[C@H](C)c1c[nH]c2ccccc21 ZINC000044122711 170278324 /nfs/dbraw/zinc/27/83/24/170278324.db2.gz BIFYNMVQOPJLSO-NOZJJQNGSA-N 0 0 247.294 2.195 50 0 BEAARN CCOC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC000098095758 170281119 /nfs/dbraw/zinc/28/11/19/170281119.db2.gz WVYBVCQXRFKMOW-UWVGGRQHSA-N 0 0 200.278 2.001 50 0 BEAARN CCOC(=O)c1n[nH]c2c1CC(C)(C)CC2 ZINC000259661391 170287593 /nfs/dbraw/zinc/28/75/93/170287593.db2.gz KOEQZIHBLSZFCA-UHFFFAOYSA-N 0 0 222.288 2.101 50 0 BEAARN CCOC(=O)c1c(C)ccnc1Br ZINC000034223672 170287853 /nfs/dbraw/zinc/28/78/53/170287853.db2.gz DACPMMXAXKJTNU-UHFFFAOYSA-N 0 0 244.088 2.329 50 0 BEAARN CCOC(=O)c1c(C)nc2ccc(Cl)cn21 ZINC000000306838 170288282 /nfs/dbraw/zinc/28/82/82/170288282.db2.gz CCUPMKHLKAODHI-UHFFFAOYSA-N 0 0 238.674 2.473 50 0 BEAARN CCOC(=O)c1c(N)[nH]c2cc(F)ccc21 ZINC000131723150 170289094 /nfs/dbraw/zinc/28/90/94/170289094.db2.gz YLBOVYZYMANSQY-UHFFFAOYSA-N 0 0 222.219 2.066 50 0 BEAARN CCOC(=O)c1cnc2cc(Cl)[nH]cc1-2 ZINC000096028771 170289644 /nfs/dbraw/zinc/28/96/44/170289644.db2.gz QAVSKGGQRKPVSS-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1c[nH]c2c1C(=O)CCCC2 ZINC000044126833 170290226 /nfs/dbraw/zinc/29/02/26/170290226.db2.gz PQLOIWYFDWGKSQ-UHFFFAOYSA-N 0 0 221.256 2.101 50 0 BEAARN CCOC(=O)c1cc(C2(O)CCCCC2)on1 ZINC000006668865 170291223 /nfs/dbraw/zinc/29/12/23/170291223.db2.gz PJVJDYVNULCLGS-UHFFFAOYSA-N 0 0 239.271 2.003 50 0 BEAARN CCOC(=O)c1cc(C(F)(F)F)ccn1 ZINC000040566611 170291387 /nfs/dbraw/zinc/29/13/87/170291387.db2.gz VHYPHUNCCISTMT-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1cc(NC(C)=O)c(F)cc1C ZINC000225464713 170292954 /nfs/dbraw/zinc/29/29/54/170292954.db2.gz RZMGEBYOKQGSSV-UHFFFAOYSA-N 0 0 239.246 2.269 50 0 BEAARN CCOC(=O)c1cc2cccnc2nc1C ZINC000001495865 170293975 /nfs/dbraw/zinc/29/39/75/170293975.db2.gz ZYWPUGVZOQIIMG-UHFFFAOYSA-N 0 0 216.240 2.115 50 0 BEAARN CCOC(=O)c1cc2ccc(Cl)nc2[nH]1 ZINC000035269936 170294057 /nfs/dbraw/zinc/29/40/57/170294057.db2.gz DLOFYLZHQBTQQA-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)c1cc2ncccc2s1 ZINC000136005483 170294551 /nfs/dbraw/zinc/29/45/51/170294551.db2.gz TZICEEXQXMJPEC-UHFFFAOYSA-N 0 0 207.254 2.473 50 0 BEAARN CCOC(=O)c1ccc(C(=O)OCC)s1 ZINC000044200546 170295356 /nfs/dbraw/zinc/29/53/56/170295356.db2.gz FOLYMTHZDUYMGS-UHFFFAOYSA-N 0 0 228.269 2.102 50 0 BEAARN CCOC(=O)c1ccc(C=O)cc1Cl ZINC000091305054 170295697 /nfs/dbraw/zinc/29/56/97/170295697.db2.gz QXLKYNGVQIZQKY-UHFFFAOYSA-N 0 0 212.632 2.329 50 0 BEAARN CCOC(=O)c1ccc(N2CC(C)(C)C2=O)cc1 ZINC000001387660 170296216 /nfs/dbraw/zinc/29/62/16/170296216.db2.gz LCDLVNFLVOQOST-UHFFFAOYSA-N 0 0 247.294 2.236 50 0 BEAARN CCOC(=O)c1ccc(NC(=O)OC)cc1 ZINC000003196386 170296291 /nfs/dbraw/zinc/29/62/91/170296291.db2.gz RXKAZNAZWOASSH-UHFFFAOYSA-N 0 0 223.228 2.042 50 0 BEAARN CCOC(=O)c1ccc2c(c1)CCCC2=O ZINC000034103618 170297962 /nfs/dbraw/zinc/29/79/62/170297962.db2.gz XNXPDMGFXHBLHK-UHFFFAOYSA-N 0 0 218.252 2.382 50 0 BEAARN CCOC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000000364004 170298458 /nfs/dbraw/zinc/29/84/58/170298458.db2.gz PDOXRJQWMCZIBR-UHFFFAOYSA-N 0 0 233.267 2.212 50 0 BEAARN CCOC(=O)c1ccnc(Br)c1F ZINC000047203020 170301122 /nfs/dbraw/zinc/30/11/22/170301122.db2.gz QHJFMIDZCWWGTC-UHFFFAOYSA-N 0 0 248.051 2.160 50 0 BEAARN CCOC(=O)c1n[nH]cc1-c1ccccc1 ZINC000004715017 170305724 /nfs/dbraw/zinc/30/57/24/170305724.db2.gz BQUUXGPEWAUSLS-UHFFFAOYSA-N 0 0 216.240 2.253 50 0 BEAARN CCOC(=O)c1nc(C(F)(F)F)ccc1F ZINC000263624520 170306384 /nfs/dbraw/zinc/30/63/84/170306384.db2.gz RGRITTFQJOWLJO-UHFFFAOYSA-N 0 0 237.152 2.416 50 0 BEAARN CCOC(=O)c1ncc(Br)s1 ZINC000038540797 170308126 /nfs/dbraw/zinc/30/81/26/170308126.db2.gz KSXFDPQRVVZYQJ-UHFFFAOYSA-N 0 0 236.090 2.082 50 0 BEAARN CCOC(=O)c1ncn2cc(Cl)ccc12 ZINC000238284589 170308830 /nfs/dbraw/zinc/30/88/30/170308830.db2.gz WZGCVBPYJPJZKZ-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1ncsc1Nc1cccnc1 ZINC000071201675 170309001 /nfs/dbraw/zinc/30/90/01/170309001.db2.gz ZOZGEXLXGABQPK-UHFFFAOYSA-N 0 0 249.295 2.458 50 0 BEAARN CCOC(=O)c1ncoc1-c1ccc(O)cc1 ZINC000002391935 170309061 /nfs/dbraw/zinc/30/90/61/170309061.db2.gz MWGLPVVMBIZBNR-UHFFFAOYSA-N 0 0 233.223 2.224 50 0 BEAARN CCOC(=O)c1ncccc1C(F)(F)F ZINC000012336310 170309103 /nfs/dbraw/zinc/30/91/03/170309103.db2.gz CNITUJQBBIMJBR-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 BEAARN CCOC(=O)c1nnc(-c2ccc(F)cc2)o1 ZINC000015828510 170309230 /nfs/dbraw/zinc/30/92/30/170309230.db2.gz YVDWIXOLWWSICJ-UHFFFAOYSA-N 0 0 236.202 2.052 50 0 BEAARN CCOC(=O)c1nnc2ccccc2c1Cl ZINC000034120826 170309922 /nfs/dbraw/zinc/30/99/22/170309922.db2.gz IJSRLSPZAHLSHV-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1sc(-c2cnccn2)nc1C ZINC000000109117 170311114 /nfs/dbraw/zinc/31/11/14/170311114.db2.gz MFKNHUMBYRXHLN-UHFFFAOYSA-N 0 0 249.295 2.085 50 0 BEAARN CCOC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000074937751 170332497 /nfs/dbraw/zinc/33/24/97/170332497.db2.gz HBVGRSULKDLDRU-UHFFFAOYSA-N 0 0 229.320 2.422 50 0 BEAARN CCOCC(=O)N1c2ccccc2C[C@@H]1C ZINC000009095483 170342338 /nfs/dbraw/zinc/34/23/38/170342338.db2.gz FHMYYYAGGYHQER-JTQLQIEISA-N 0 0 219.284 2.001 50 0 BEAARN CCOCC(=O)Nc1cc(C)cc(C)c1 ZINC000002069471 170348379 /nfs/dbraw/zinc/34/83/79/170348379.db2.gz LSAVNYYELYFNSO-UHFFFAOYSA-N 0 0 207.273 2.278 50 0 BEAARN CCOCC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024894797 170349001 /nfs/dbraw/zinc/34/90/01/170349001.db2.gz GDFIJBUFIBUTJM-UHFFFAOYSA-N 0 0 245.282 2.052 50 0 BEAARN CCOCC(=O)Nc1ccccc1Cl ZINC000002069479 170349502 /nfs/dbraw/zinc/34/95/02/170349502.db2.gz BIWIBIGKTUHOKY-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN CCO[C@H]1C[C@@H](NC(=O)C2CC2)C12CCCC2 ZINC000089986046 170506934 /nfs/dbraw/zinc/50/69/34/170506934.db2.gz CNPBHIFLTQFHAA-NEPJUHHUSA-N 0 0 237.343 2.250 50 0 BEAARN CCOc1cc(NC)c(N)cc1Br ZINC000095217897 170525730 /nfs/dbraw/zinc/52/57/30/170525730.db2.gz SGVICVJXTVINRP-UHFFFAOYSA-N 0 0 245.120 2.472 50 0 BEAARN CCOc1ccc(C(=O)c2ncco2)cc1 ZINC000085651155 170538504 /nfs/dbraw/zinc/53/85/04/170538504.db2.gz ITTBPAVMPMOSSO-UHFFFAOYSA-N 0 0 217.224 2.304 50 0 BEAARN CCS(=O)(=O)Nc1cccc(Cl)c1 ZINC000000482846 170620912 /nfs/dbraw/zinc/62/09/12/170620912.db2.gz NTXLENYVXWVHKY-UHFFFAOYSA-N 0 0 219.693 2.102 50 0 BEAARN CCSCCS[C@@H](C)C(=O)OC ZINC000095963245 170639968 /nfs/dbraw/zinc/63/99/68/170639968.db2.gz DGUNHOFENIGTSU-ZETCQYMHSA-N 0 0 208.348 2.034 50 0 BEAARN CC[C@@H](C)C(=O)N(C)CCc1scnc1C ZINC000216504223 170676395 /nfs/dbraw/zinc/67/63/95/170676395.db2.gz ZAYJNLTYXMUHRP-SECBINFHSA-N 0 0 240.372 2.499 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000000365421 170682412 /nfs/dbraw/zinc/68/24/12/170682412.db2.gz YJHYLLFMJRSQLU-SECBINFHSA-N 0 0 235.283 2.458 50 0 BEAARN CC[C@@H](C)[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005922594 170801117 /nfs/dbraw/zinc/80/11/17/170801117.db2.gz NMRFWXLNHGJLIU-MWLCHTKSSA-N 0 0 248.351 2.322 50 0 BEAARN CC[C@@H](O)Cc1nc(N2CCCC2)nc(C)c1C ZINC000091665801 170937838 /nfs/dbraw/zinc/93/78/38/170937838.db2.gz CHLBROOMKJOPAS-GFCCVEGCSA-N 0 0 249.358 2.007 50 0 BEAARN CC[C@@H](SC[C@H](O)CO)c1ccccc1 ZINC000095407548 170949765 /nfs/dbraw/zinc/94/97/65/170949765.db2.gz ORCFUUSYTLRTGF-VXGBXAGGSA-N 0 0 226.341 2.224 50 0 BEAARN CC[C@@](C)(O)CNC(=O)Nc1ccc(F)cc1 ZINC000058298119 171181459 /nfs/dbraw/zinc/18/14/59/171181459.db2.gz ANACZSRNDFAPNT-GFCCVEGCSA-N 0 0 240.278 2.108 50 0 BEAARN CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1cccnc1 ZINC000177377857 171206498 /nfs/dbraw/zinc/20/64/98/171206498.db2.gz RRVCLLYKHWEEBO-YPMHNXCESA-N 0 0 218.300 2.481 50 0 BEAARN CC[C@H](C)C(=O)NCc1cccc(COC)c1 ZINC000040108423 171251619 /nfs/dbraw/zinc/25/16/19/171251619.db2.gz WYCXOXIHTPFZQN-NSHDSACASA-N 0 0 235.327 2.495 50 0 BEAARN CC[C@H](C)C(=O)NCc1ccccc1F ZINC000055292567 171252466 /nfs/dbraw/zinc/25/24/66/171252466.db2.gz IWQITZCUTMOZSZ-VIFPVBQESA-N 0 0 209.264 2.488 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000012906107 171255812 /nfs/dbraw/zinc/25/58/12/171255812.db2.gz LVMKFVMSABFWRQ-QMMMGPOBSA-N 0 0 248.282 2.002 50 0 BEAARN CC[C@H](C)CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000189575261 171263062 /nfs/dbraw/zinc/26/30/62/171263062.db2.gz QFZUDISSBNLTMN-XEGUGMAKSA-N 0 0 247.338 2.197 50 0 BEAARN CC[C@H](C)NC(=O)Cc1ccccc1OC ZINC000005468551 171327992 /nfs/dbraw/zinc/32/79/92/171327992.db2.gz IABSGBGYRVCGSK-JTQLQIEISA-N 0 0 221.300 2.152 50 0 BEAARN CC[C@H](C)NC(=O)NCc1ccc(F)cc1 ZINC000000137462 171329427 /nfs/dbraw/zinc/32/94/27/171329427.db2.gz YFITXJHPFXVUIO-VIFPVBQESA-N 0 0 224.279 2.423 50 0 BEAARN CC[C@H](C)NC(=O)N[C@H](C)c1ccccn1 ZINC000047576751 171330545 /nfs/dbraw/zinc/33/05/45/171330545.db2.gz VNVNGBCISLEPMA-VHSXEESVSA-N 0 0 221.304 2.240 50 0 BEAARN CC[C@H](C)NC(=O)NCc1cccs1 ZINC000013745907 171330577 /nfs/dbraw/zinc/33/05/77/171330577.db2.gz RXLQVULSKVLXHY-QMMMGPOBSA-N 0 0 212.318 2.346 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(C(=O)C2CC2)c[nH]1 ZINC000001396063 171336046 /nfs/dbraw/zinc/33/60/46/171336046.db2.gz BPIYTUMXHZURIZ-QMMMGPOBSA-N 0 0 234.299 2.136 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000000029242 171337166 /nfs/dbraw/zinc/33/71/66/171337166.db2.gz DYNWAFQOGZWSSS-VIFPVBQESA-N 0 0 207.273 2.224 50 0 biogenic BEAARN CC[C@H](C)NC(=O)c1ccccc1OC ZINC000000290241 171338553 /nfs/dbraw/zinc/33/85/53/171338553.db2.gz KGPHPTSJCDCHNY-VIFPVBQESA-N 0 0 207.273 2.224 50 0 BEAARN CC[C@H](C)NS(=O)(=O)Cc1ccccc1F ZINC000016577979 171344802 /nfs/dbraw/zinc/34/48/02/171344802.db2.gz SZQDLRZUWVPZLU-VIFPVBQESA-N 0 0 245.319 2.044 50 0 BEAARN CC[C@H](C)NS(=O)(=O)Cc1ccccc1C ZINC000016578029 171345104 /nfs/dbraw/zinc/34/51/04/171345104.db2.gz FYEZITUNKGBISG-NSHDSACASA-N 0 0 241.356 2.213 50 0 BEAARN CC[C@H](C)Sc1nnnn1CC(F)(F)F ZINC000077935624 171357777 /nfs/dbraw/zinc/35/77/77/171357777.db2.gz VWYJMEFADUAKOV-YFKPBYRVSA-N 0 0 240.254 2.126 50 0 BEAARN FC(F)(F)c1cc(NCC2CC2)ncn1 ZINC000618254197 412202496 /nfs/dbraw/zinc/20/24/96/412202496.db2.gz NUUISZJSOZIAID-UHFFFAOYSA-N 0 0 217.194 2.317 50 0 BEAARN CC[C@H](NC(N)=O)c1ccc(F)cc1F ZINC000154836503 171513842 /nfs/dbraw/zinc/51/38/42/171513842.db2.gz IQTSJCCXQCBGGZ-VIFPVBQESA-N 0 0 214.215 2.084 50 0 BEAARN CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CC1 ZINC000014400466 171590699 /nfs/dbraw/zinc/59/06/99/171590699.db2.gz AONWIBIZDRUQNW-ZDUSSCGKSA-N 0 0 249.310 2.131 50 0 BEAARN CC[C@H](c1ccccc1)N(CC(=O)OC)C(C)=O ZINC000090687028 171598841 /nfs/dbraw/zinc/59/88/41/171598841.db2.gz CUANNSHSLHLLLC-CYBMUJFWSA-N 0 0 249.310 2.159 50 0 BEAARN Cc1c(Cl)cnn1Cc1nnc(C2CC2)o1 ZINC000095435656 322930100 /nfs/dbraw/zinc/93/01/00/322930100.db2.gz YRVIAZJMIYGBEL-UHFFFAOYSA-N 0 0 238.678 2.154 50 0 BEAARN CC[C@](C)(O)CNC(=O)Nc1ccc(F)cc1 ZINC000058298116 171701906 /nfs/dbraw/zinc/70/19/06/171701906.db2.gz ANACZSRNDFAPNT-LBPRGKRZSA-N 0 0 240.278 2.108 50 0 BEAARN CCc1ccc(C(=O)N(CC)C2CC2)o1 ZINC000071185216 171784577 /nfs/dbraw/zinc/78/45/77/171784577.db2.gz KSMRTFHZVIHENW-UHFFFAOYSA-N 0 0 207.273 2.467 50 0 BEAARN CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000003747894 171799936 /nfs/dbraw/zinc/79/99/36/171799936.db2.gz PPSPYSDGPOYGED-ZDUSSCGKSA-N 0 0 233.311 2.298 50 0 BEAARN CCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000001471475 171861252 /nfs/dbraw/zinc/86/12/52/171861252.db2.gz XCJUUIZTYSHMKB-LBPRGKRZSA-N 0 0 219.284 2.367 50 0 BEAARN CCc1cccc2c(C=O)cn(CC(=O)OC)c21 ZINC000000807320 171867909 /nfs/dbraw/zinc/86/79/09/171867909.db2.gz SPDGIZLKFKOWEC-UHFFFAOYSA-N 0 0 245.278 2.189 50 0 BEAARN CCc1nc(CNc2cncc(C)n2)cs1 ZINC000195575239 171990316 /nfs/dbraw/zinc/99/03/16/171990316.db2.gz JZCFMOWQGPVLNL-UHFFFAOYSA-N 0 0 234.328 2.416 50 0 BEAARN CCc1nc2cc(C(=O)OC)cc(OC)c2o1 ZINC000043827888 172010689 /nfs/dbraw/zinc/01/06/89/172010689.db2.gz MVLOQZFMMCQTLJ-UHFFFAOYSA-N 0 0 235.239 2.185 50 0 BEAARN CCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000020346130 172015466 /nfs/dbraw/zinc/01/54/66/172015466.db2.gz JIBQGAQQFJRRKH-UHFFFAOYSA-N 0 0 208.286 2.164 50 0 BEAARN CCc1nc2sc3c(c2c2nncn21)CCC3 ZINC000000126628 172015601 /nfs/dbraw/zinc/01/56/01/172015601.db2.gz PYPPWLNXAQCPPP-UHFFFAOYSA-N 0 0 244.323 2.390 50 0 BEAARN CCc1ncc([C@@H](O)c2ccc(OC)cc2)n1C ZINC000000302109 172023095 /nfs/dbraw/zinc/02/30/95/172023095.db2.gz UOXVSZGTOYHQKZ-AWEZNQCLSA-N 0 0 246.310 2.073 50 0 BEAARN CCc1ncc([C@H](O)c2ccc(C)cc2)n1C ZINC000000170130 172023216 /nfs/dbraw/zinc/02/32/16/172023216.db2.gz RLZMGGXEJXZNNS-CQSZACIVSA-N 0 0 230.311 2.373 50 0 BEAARN CCc1nccn1Cc1noc(C2CCC2)n1 ZINC000065288349 172026924 /nfs/dbraw/zinc/02/69/24/172026924.db2.gz VRWNQAVZUCRXLY-UHFFFAOYSA-N 0 0 232.287 2.144 50 0 BEAARN CCc1ncnc(NCCc2ccc[nH]2)c1F ZINC000095985526 172032229 /nfs/dbraw/zinc/03/22/29/172032229.db2.gz PJCIKCQLRGABQE-UHFFFAOYSA-N 0 0 234.278 2.161 50 0 BEAARN CCc1nn(C)cc1CNc1nc(C)cnc1C ZINC000168895811 172041685 /nfs/dbraw/zinc/04/16/85/172041685.db2.gz FFBFBOGMISIGPB-UHFFFAOYSA-N 0 0 245.330 2.001 50 0 BEAARN CCc1nnc(COc2ccc(C(C)=O)cc2)o1 ZINC000020253780 172055586 /nfs/dbraw/zinc/05/55/86/172055586.db2.gz JWFMYXOGDPAVLW-UHFFFAOYSA-N 0 0 246.266 2.414 50 0 BEAARN CCc1noc(-c2cc(=O)[nH]c3ccccc32)n1 ZINC000067172518 172071447 /nfs/dbraw/zinc/07/14/47/172071447.db2.gz HEVRPMBGEVSQIB-UHFFFAOYSA-N 0 0 241.250 2.141 50 0 BEAARN CCc1noc(C)c1C(=O)N(C)Cc1ccoc1 ZINC000097797628 172073758 /nfs/dbraw/zinc/07/37/58/172073758.db2.gz RCUONUYDNLTXHA-UHFFFAOYSA-N 0 0 248.282 2.411 50 0 BEAARN CCc1noc(CN(C)[C@H](C)CC(C)C)n1 ZINC000069419912 172083032 /nfs/dbraw/zinc/08/30/32/172083032.db2.gz NKVXTZJUPHYACE-SNVBAGLBSA-N 0 0 225.336 2.498 50 0 BEAARN CCc1noc(CN2CCCC[C@@H]2CC)n1 ZINC000058283194 172084452 /nfs/dbraw/zinc/08/44/52/172084452.db2.gz RPKPDZWWELXKDR-JTQLQIEISA-N 0 0 223.320 2.397 50 0 BEAARN CCc1nsc(SCc2ccon2)n1 ZINC000089295705 172107618 /nfs/dbraw/zinc/10/76/18/172107618.db2.gz QGUJRNMASMSFJU-UHFFFAOYSA-N 0 0 227.314 2.381 50 0 BEAARN CCc1oc(C(=O)OC2CCOCC2)cc1C ZINC000097032017 172110544 /nfs/dbraw/zinc/11/05/44/172110544.db2.gz YAHJCFVFTOBXIO-UHFFFAOYSA-N 0 0 238.283 2.486 50 0 BEAARN CCc1oc(C(=O)N[C@@](C)(CC)CO)cc1C ZINC000097081761 172111501 /nfs/dbraw/zinc/11/15/01/172111501.db2.gz YMUJRBMLIVMFJE-ZDUSSCGKSA-N 0 0 239.315 2.041 50 0 BEAARN CCn1c2ccc(C)cc2s/c1=N\C(C)=O ZINC000006356819 172129976 /nfs/dbraw/zinc/12/99/76/172129976.db2.gz NKDIFCIOEWNOLQ-SEYXRHQNSA-N 0 0 234.324 2.478 50 0 BEAARN CCn1c(CNC(=O)C2CC2)nc2ccccc21 ZINC000040190705 172145220 /nfs/dbraw/zinc/14/52/20/172145220.db2.gz AFMJXFGSWPKCMY-UHFFFAOYSA-N 0 0 243.310 2.082 50 0 BEAARN CCn1cc(C(=O)N2CCc3ccccc32)cn1 ZINC000002764643 172152528 /nfs/dbraw/zinc/15/25/28/172152528.db2.gz NLNSEWKACOPBNV-UHFFFAOYSA-N 0 0 241.294 2.106 50 0 BEAARN CCn1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000028575762 172152944 /nfs/dbraw/zinc/15/29/44/172152944.db2.gz CULIBIWFRVFQBQ-GHMZBOCLSA-N 0 0 235.331 2.021 50 0 BEAARN CCn1cc(C(=O)OC2(C3CC3)CC2)cn1 ZINC000096459788 172156794 /nfs/dbraw/zinc/15/67/94/172156794.db2.gz XOQLZRNEHRWQBZ-UHFFFAOYSA-N 0 0 220.272 2.002 50 0 BEAARN CCn1cc(NC(=O)c2occc2C)cn1 ZINC000071185609 172184282 /nfs/dbraw/zinc/18/42/82/172184282.db2.gz LHIIOLOMCTVMMT-UHFFFAOYSA-N 0 0 219.244 2.057 50 0 BEAARN CCn1ccnc1CNCc1ccccc1 ZINC000004243940 172224443 /nfs/dbraw/zinc/22/44/43/172224443.db2.gz YAUICAMSGIHYGZ-UHFFFAOYSA-N 0 0 215.300 2.193 50 0 BEAARN CCn1ccnc1CNc1ccnc(SC)n1 ZINC000032511808 172225874 /nfs/dbraw/zinc/22/58/74/172225874.db2.gz CMJSEGZTGZMBNF-UHFFFAOYSA-N 0 0 249.343 2.027 50 0 BEAARN CCn1cnc2cc(NC(=O)C3CC3)ccc21 ZINC000016623943 172231908 /nfs/dbraw/zinc/23/19/08/172231908.db2.gz RPEMLKVHRVJMDE-UHFFFAOYSA-N 0 0 229.283 2.405 50 0 BEAARN CCn1nc(C(=O)NCc2ccccc2)cc1C ZINC000013703747 172240832 /nfs/dbraw/zinc/24/08/32/172240832.db2.gz MQBAGUJFNFHKCE-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1nc(C)c(C(=O)Nc2cc(C)on2)c1C ZINC000002779249 172244176 /nfs/dbraw/zinc/24/41/76/172244176.db2.gz VRBKRHAAQSWSGU-UHFFFAOYSA-N 0 0 248.286 2.069 50 0 BEAARN CCn1nc(C)c(NC(=O)C(C)C)c1C ZINC000032647839 172247749 /nfs/dbraw/zinc/24/77/49/172247749.db2.gz OHUFGTLPUBWLNW-UHFFFAOYSA-N 0 0 209.293 2.114 50 0 BEAARN CCn1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1C ZINC000028575835 172252931 /nfs/dbraw/zinc/25/29/31/172252931.db2.gz VKBKDFUTXUHBSD-GHMZBOCLSA-N 0 0 249.358 2.330 50 0 BEAARN CCn1ncc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000028575834 172253268 /nfs/dbraw/zinc/25/32/68/172253268.db2.gz VKBKDFUTXUHBSD-PHIMTYICSA-N 0 0 249.358 2.330 50 0 BEAARN CCn1ncc2c1nc(C1CC1)cc2C(=O)OC ZINC000012397174 172255678 /nfs/dbraw/zinc/25/56/78/172255678.db2.gz JWKQSQIQPHBCCG-UHFFFAOYSA-N 0 0 245.282 2.115 50 0 BEAARN CCn1ncc2cc(Br)cnc21 ZINC000019433880 172256793 /nfs/dbraw/zinc/25/67/93/172256793.db2.gz FYPGAFJOOQMJBF-UHFFFAOYSA-N 0 0 226.077 2.214 50 0 BEAARN CN(C(=O)NC1CCOCC1)C1CCCCC1 ZINC000080086903 172317919 /nfs/dbraw/zinc/31/79/19/172317919.db2.gz CXFAWHZIMUEJEQ-UHFFFAOYSA-N 0 0 240.347 2.140 50 0 BEAARN CN(C(=O)c1ccccc1O)C1CCCC1 ZINC000037022691 172343250 /nfs/dbraw/zinc/34/32/50/172343250.db2.gz PRPKYHQDQVKKDL-UHFFFAOYSA-N 0 0 219.284 2.407 50 0 BEAARN CN(C(=O)c1ccccn1)C1CCCCC1 ZINC000032666394 172343672 /nfs/dbraw/zinc/34/36/72/172343672.db2.gz KUJSPMASIRQMAC-UHFFFAOYSA-N 0 0 218.300 2.486 50 0 BEAARN CN(C(=O)c1ccncc1)C1CCCCC1 ZINC000000119440 172344680 /nfs/dbraw/zinc/34/46/80/172344680.db2.gz DYLVKDDBAQWGFZ-UHFFFAOYSA-N 0 0 218.300 2.486 50 0 BEAARN CN(C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000006550267 172353397 /nfs/dbraw/zinc/35/33/97/172353397.db2.gz CVKVSIGUIAIDTR-VMPITWQZSA-N 0 0 209.676 2.441 50 0 BEAARN CN(C)C(=O)C(=O)c1cccc2ccccc21 ZINC000003132136 172353789 /nfs/dbraw/zinc/35/37/89/172353789.db2.gz RJUIHHITSSGWNY-UHFFFAOYSA-N 0 0 227.263 2.111 50 0 BEAARN CN(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000075337106 172361251 /nfs/dbraw/zinc/36/12/51/172361251.db2.gz WVBFUTYWDRYALK-UHFFFAOYSA-N 0 0 216.284 2.189 50 0 BEAARN CN(C)C(=O)COc1ccc(Cl)cc1Cl ZINC000000555588 172372827 /nfs/dbraw/zinc/37/28/27/172372827.db2.gz OCZUDNHTFSZUDM-UHFFFAOYSA-N 0 0 248.109 2.460 50 0 BEAARN CN(C)C(=O)COc1ccc2ccccc2c1 ZINC000000136389 172373195 /nfs/dbraw/zinc/37/31/95/172373195.db2.gz MXRFIADLBOWKIR-UHFFFAOYSA-N 0 0 229.279 2.307 50 0 BEAARN CN(C)C(=O)C[C@@H]1CNc2ccc(Cl)cc21 ZINC000071372286 172374660 /nfs/dbraw/zinc/37/46/60/172374660.db2.gz PTXOWJMPCITEGY-MRVPVSSYSA-N 0 0 238.718 2.327 50 0 BEAARN CN(C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000006702879 172382145 /nfs/dbraw/zinc/38/21/45/172382145.db2.gz FGCIPJAAVGHRLT-UHFFFAOYSA-N 0 0 204.273 2.269 50 0 BEAARN CN(C)C(=O)Sc1ccc(C=O)cc1 ZINC000095829326 172384474 /nfs/dbraw/zinc/38/44/74/172384474.db2.gz AVYSFQMOPSDSBK-UHFFFAOYSA-N 0 0 209.270 2.273 50 0 BEAARN CN(C)C(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000021768771 172387580 /nfs/dbraw/zinc/38/75/80/172387580.db2.gz IMYATTGQEWEAKO-UHFFFAOYSA-N 0 0 247.323 2.237 50 0 BEAARN CN(C)C(=O)c1ccc(F)cc1Br ZINC000019422048 172389634 /nfs/dbraw/zinc/38/96/34/172389634.db2.gz CGUIJOTZYHWBSQ-UHFFFAOYSA-N 0 0 246.079 2.290 50 0 BEAARN CN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000013626795 172390970 /nfs/dbraw/zinc/39/09/70/172390970.db2.gz IOIRFMFLBVQMHI-UHFFFAOYSA-N 0 0 248.326 2.373 50 0 BEAARN CN(C)c1cc(C(=O)OCC(C)(C)C)ccn1 ZINC000095942862 172544471 /nfs/dbraw/zinc/54/44/71/172544471.db2.gz KLIRPGHHCSIEQR-UHFFFAOYSA-N 0 0 236.315 2.351 50 0 BEAARN CN(C)c1cc(C(N)=O)c2cccc(Cl)c2n1 ZINC000064554522 172545029 /nfs/dbraw/zinc/54/50/29/172545029.db2.gz NRNXKLKLLAIEGK-UHFFFAOYSA-N 0 0 249.701 2.053 50 0 BEAARN CN(C)c1ccc(N)c(C(F)(F)F)c1 ZINC000020283709 172555096 /nfs/dbraw/zinc/55/50/96/172555096.db2.gz VRPUKJBVBYRCNY-UHFFFAOYSA-N 0 0 204.195 2.354 50 0 BEAARN CN(C)c1ccc(N)cc1Br ZINC000019801678 172555353 /nfs/dbraw/zinc/55/53/53/172555353.db2.gz FHBHPSOVOJJEJN-UHFFFAOYSA-N 0 0 215.094 2.097 50 0 BEAARN CN(CCO)c1nc2cc(Cl)ccc2s1 ZINC000000128741 172762021 /nfs/dbraw/zinc/76/20/21/172762021.db2.gz ASBZXONDHKSMOV-UHFFFAOYSA-N 0 0 242.731 2.378 50 0 BEAARN CN(C[C@H]1CCOC1)c1ncnc2sccc21 ZINC000267255056 172834477 /nfs/dbraw/zinc/83/44/77/172834477.db2.gz VEUMWGCEHXVDGE-SECBINFHSA-N 0 0 249.339 2.164 50 0 BEAARN CN(Cc1ccccc1)C(=O)C1CCC1 ZINC000012976592 172868337 /nfs/dbraw/zinc/86/83/37/172868337.db2.gz BUHGCYIBDXXQOZ-UHFFFAOYSA-N 0 0 203.285 2.445 50 0 BEAARN CN(Cc1ccccc1F)C(=O)C1CC1 ZINC000032960784 172874688 /nfs/dbraw/zinc/87/46/88/172874688.db2.gz VPCDATPPDYHOAI-UHFFFAOYSA-N 0 0 207.248 2.194 50 0 BEAARN CN1Cc2ccc(Br)cc2C1=O ZINC000066347186 173199136 /nfs/dbraw/zinc/19/91/36/173199136.db2.gz DPUVAXLWVRZASN-UHFFFAOYSA-N 0 0 226.073 2.035 50 0 BEAARN CN1Cc2c(cccc2Br)C1=O ZINC000045328700 173199456 /nfs/dbraw/zinc/19/94/56/173199456.db2.gz HNVZVGCFIFFWMV-UHFFFAOYSA-N 0 0 226.073 2.035 50 0 BEAARN CN1O[C@H]2CCCC(=O)[C@@H]2[C@@H]1c1ccccc1 ZINC000005353042 173204841 /nfs/dbraw/zinc/20/48/41/173204841.db2.gz FFOMFRWPMNYVMA-IHRRRGAJSA-N 0 0 231.295 2.343 50 0 BEAARN CNC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000079034163 173221878 /nfs/dbraw/zinc/22/18/78/173221878.db2.gz DZQCNMLEFVHVMO-UHFFFAOYSA-N 0 0 227.691 2.243 50 0 BEAARN CNC(=O)CCc1ccccc1Br ZINC000034218432 173262905 /nfs/dbraw/zinc/26/29/05/173262905.db2.gz IZDICSIBCSADLW-UHFFFAOYSA-N 0 0 242.116 2.128 50 0 BEAARN CNC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004162885 173290344 /nfs/dbraw/zinc/29/03/44/173290344.db2.gz QAUDGCBEHSQQEV-UHFFFAOYSA-N 0 0 222.332 2.132 50 0 BEAARN CNC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000081478429 173291690 /nfs/dbraw/zinc/29/16/90/173291690.db2.gz OAEHBJJGHUDDNM-LURJTMIESA-N 0 0 230.670 2.469 50 0 BEAARN CNC(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000081478430 173292539 /nfs/dbraw/zinc/29/25/39/173292539.db2.gz OAEHBJJGHUDDNM-ZCFIWIBFSA-N 0 0 230.670 2.469 50 0 BEAARN CNC(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000000096471 173292991 /nfs/dbraw/zinc/29/29/91/173292991.db2.gz AEADJOBCASCCHA-UHFFFAOYSA-N 0 0 242.282 2.203 50 0 BEAARN CNC(=O)Nc1ccccc1C(F)(F)F ZINC000002167789 173293038 /nfs/dbraw/zinc/29/30/38/173293038.db2.gz PMKIUKNSMDJUSB-UHFFFAOYSA-N 0 0 218.178 2.457 50 0 BEAARN CNC(=O)Nc1ccccc1Br ZINC000048465782 173293153 /nfs/dbraw/zinc/29/31/53/173293153.db2.gz BBKCGIXOVZMZLD-UHFFFAOYSA-N 0 0 229.077 2.200 50 0 BEAARN CNC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000047466903 173293309 /nfs/dbraw/zinc/29/33/09/173293309.db2.gz NJJVJBMPMQNXIS-UHFFFAOYSA-N 0 0 240.332 2.337 50 0 BEAARN CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151056583 173300043 /nfs/dbraw/zinc/30/00/43/173300043.db2.gz FSWXJGSBQVQXSL-NKWVEPMBSA-N 0 0 227.666 2.329 50 0 BEAARN CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000005424334 173310222 /nfs/dbraw/zinc/31/02/22/173310222.db2.gz FCGZKRILOPYVHU-SSDOTTSWSA-N 0 0 209.314 2.233 50 0 BEAARN CNC(=O)c1ccc(-c2cccc(OC)c2)o1 ZINC000064551494 173310262 /nfs/dbraw/zinc/31/02/62/173310262.db2.gz RWWHEQOFAZNKRW-UHFFFAOYSA-N 0 0 231.251 2.315 50 0 BEAARN CNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012922025 173311023 /nfs/dbraw/zinc/31/10/23/173311023.db2.gz ZXGJCQLMBNHXLJ-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN CNC(=O)c1cccc(OC2CCCC2)c1 ZINC000089391974 173311991 /nfs/dbraw/zinc/31/19/91/173311991.db2.gz IRBMXTASDYOFBR-UHFFFAOYSA-N 0 0 219.284 2.368 50 0 BEAARN CNC(=O)c1cccnc1Oc1ccccc1 ZINC000039225850 173313139 /nfs/dbraw/zinc/31/31/39/173313139.db2.gz HTFKHYMCBKIRBU-UHFFFAOYSA-N 0 0 228.251 2.234 50 0 BEAARN CNC(=O)c1cnc(-c2ccccc2)s1 ZINC000069457866 173313263 /nfs/dbraw/zinc/31/32/63/173313263.db2.gz KTFDVQDLZRENGF-UHFFFAOYSA-N 0 0 218.281 2.170 50 0 BEAARN CNC(=O)c1oc2c(cccc2F)c1C ZINC000014169351 173314860 /nfs/dbraw/zinc/31/48/60/173314860.db2.gz QYHXUCYAHVQCEE-UHFFFAOYSA-N 0 0 207.204 2.240 50 0 BEAARN CNC(=S)NNc1ccc(C)c(Cl)c1 ZINC000003337478 173316825 /nfs/dbraw/zinc/31/68/25/173316825.db2.gz SLGNOSAFMAWOPZ-UHFFFAOYSA-N 0 0 229.736 2.069 50 0 BEAARN C[NH2+][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000037181011 173442593 /nfs/dbraw/zinc/44/25/93/173442593.db2.gz WUNPURZYXCZCPK-QMMMGPOBSA-N 0 0 233.189 2.051 50 0 biogenic BEAARN CNc1cc(C(F)(F)F)nc(SC)n1 ZINC000001398556 173472499 /nfs/dbraw/zinc/47/24/99/173472499.db2.gz HFXLWBUAPNCQQH-UHFFFAOYSA-N 0 0 223.223 2.259 50 0 BEAARN CN=c1scc(-c2cccs2)n1C ZINC000002529538 173490658 /nfs/dbraw/zinc/49/06/58/173490658.db2.gz CWHBAMLWSGDGIS-UHFFFAOYSA-O 0 0 211.335 2.343 50 0 BEAARN COC(=O)C1=C(N)C[C@H](c2ccccc2)S1 ZINC000020421455 173517188 /nfs/dbraw/zinc/51/71/88/173517188.db2.gz JIQGBXZBRBSLDX-SNVBAGLBSA-N 0 0 235.308 2.208 50 0 BEAARN COC(=O)CCc1ccc(OC)cc1C ZINC000082721874 173568022 /nfs/dbraw/zinc/56/80/22/173568022.db2.gz YEVSYHSLONKQGA-UHFFFAOYSA-N 0 0 208.257 2.109 50 0 BEAARN COC(=O)N1CCO[C@@H](c2ccc(C)cc2)C1 ZINC000041171304 173652575 /nfs/dbraw/zinc/65/25/75/173652575.db2.gz PKPTZONXYFGRPD-GFCCVEGCSA-N 0 0 235.283 2.135 50 0 BEAARN COC(=O)NC1=Cc2cc(F)cc(F)c2OC1 ZINC000071791100 173656442 /nfs/dbraw/zinc/65/64/42/173656442.db2.gz HSTQWAGZVPIFLU-UHFFFAOYSA-N 0 0 241.193 2.054 50 0 BEAARN COC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000013328831 173660236 /nfs/dbraw/zinc/66/02/36/173660236.db2.gz UKVNCGPIGZWDEP-MRVPVSSYSA-N 0 0 239.271 2.121 50 0 BEAARN COC(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000005440819 173663028 /nfs/dbraw/zinc/66/30/28/173663028.db2.gz POKGBWOJGCYTER-UHFFFAOYSA-N 0 0 248.282 2.300 50 0 BEAARN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccco1 ZINC000191678569 173752520 /nfs/dbraw/zinc/75/25/20/173752520.db2.gz KCWRIZBNBAIIQF-RTXFEEFZSA-N 0 0 249.310 2.053 50 0 BEAARN COC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000001459372 173789050 /nfs/dbraw/zinc/78/90/50/173789050.db2.gz DMYXKAHHUFBGDT-JTQLQIEISA-N 0 0 208.257 2.244 50 0 BEAARN COC(=O)c1c(C)oc2ccc(OC)c(C=O)c21 ZINC000004278997 173842808 /nfs/dbraw/zinc/84/28/08/173842808.db2.gz HUXHRSNLZCRLPB-UHFFFAOYSA-N 0 0 248.234 2.349 50 0 BEAARN COC(=O)c1c(N)sc2ccccc21 ZINC000020286476 173844285 /nfs/dbraw/zinc/84/42/85/173844285.db2.gz HUQQDOKKXZCNOI-UHFFFAOYSA-N 0 0 207.254 2.270 50 0 BEAARN COC(=O)c1c[nH]c2nc(Cl)nc(Cl)c12 ZINC000238336718 173845580 /nfs/dbraw/zinc/84/55/80/173845580.db2.gz FICZFQMKBMQCQT-UHFFFAOYSA-N 0 0 246.053 2.051 50 0 BEAARN COC(=O)c1cc(C(=O)CC(C)C)c[nH]1 ZINC000005522242 173849663 /nfs/dbraw/zinc/84/96/63/173849663.db2.gz LIFZLAYCEPRGLW-UHFFFAOYSA-N 0 0 209.245 2.030 50 0 BEAARN COC(=O)c1cc(Cl)nc2[nH]ccc21 ZINC000044712619 173857640 /nfs/dbraw/zinc/85/76/40/173857640.db2.gz FNKIBYKKYBUANQ-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC(=O)c1cc(N[C@@H]2CCOC2)cc(C)c1C ZINC000097084887 173861237 /nfs/dbraw/zinc/86/12/37/173861237.db2.gz GNXRRYWFYZDSIX-LLVKDONJSA-N 0 0 249.310 2.291 50 0 BEAARN COC(=O)c1cc2c(s1)CSC2 ZINC000003030504 173863264 /nfs/dbraw/zinc/86/32/64/173863264.db2.gz HHUQUYKPAMERGU-UHFFFAOYSA-N 0 0 200.284 2.282 50 0 BEAARN COC(=O)c1cc2c(cc(F)cc2F)[nH]1 ZINC000012480912 173863888 /nfs/dbraw/zinc/86/38/88/173863888.db2.gz OQBNNAMXCZSCFC-UHFFFAOYSA-N 0 0 211.167 2.233 50 0 BEAARN COC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000072555702 173896627 /nfs/dbraw/zinc/89/66/27/173896627.db2.gz WMXRSNBNEYCTMG-LBPRGKRZSA-N 0 0 236.267 2.031 50 0 BEAARN COC(=O)c1cnc2ccc(C(C)=O)cc2c1 ZINC000261507724 173908003 /nfs/dbraw/zinc/90/80/03/173908003.db2.gz LOGQOLSIXJZVDZ-UHFFFAOYSA-N 0 0 229.235 2.224 50 0 BEAARN COC(=O)c1cnc2c(C(F)(F)F)cccn12 ZINC000089202229 173908366 /nfs/dbraw/zinc/90/83/66/173908366.db2.gz ZMPXQRDTONSFGO-UHFFFAOYSA-N 0 0 244.172 2.140 50 0 BEAARN COC(=O)c1sc(N)nc1-c1ccc(C)cc1 ZINC000038537272 173922614 /nfs/dbraw/zinc/92/26/14/173922614.db2.gz VGGXVJGOSLEMFU-UHFFFAOYSA-N 0 0 248.307 2.487 50 0 BEAARN COC(=O)c1sc2cnccc2c1C ZINC000030677851 173923098 /nfs/dbraw/zinc/92/30/98/173923098.db2.gz KFXGWCKBBSUSCY-UHFFFAOYSA-N 0 0 207.254 2.391 50 0 BEAARN COC1=NCCc2c3ccccc3[nH]c21 ZINC000039117787 174014555 /nfs/dbraw/zinc/01/45/55/174014555.db2.gz AVKDTRLVBCIVSM-UHFFFAOYSA-N 0 0 200.241 2.117 50 0 BEAARN COCC(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000095989011 174038781 /nfs/dbraw/zinc/03/87/81/174038781.db2.gz XCFBFQLMZFAZRP-UHFFFAOYSA-N 0 0 231.654 2.088 50 0 BEAARN COC1CCN(c2nc3ccccc3o2)CC1 ZINC000065610087 174032592 /nfs/dbraw/zinc/03/25/92/174032592.db2.gz OYRRFIJIKITQIY-UHFFFAOYSA-N 0 0 232.283 2.443 50 0 BEAARN COCC(=O)N1CCC(=Cc2ccccc2)CC1 ZINC000098018696 174039641 /nfs/dbraw/zinc/03/96/41/174039641.db2.gz GOXKJJNCZZRPAL-UHFFFAOYSA-N 0 0 245.322 2.339 50 0 BEAARN COCC(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000088466700 174058227 /nfs/dbraw/zinc/05/82/27/174058227.db2.gz YEESWPCHMDTOOY-UHFFFAOYSA-N 0 0 237.299 2.409 50 0 BEAARN COCC(=O)Nc1ccc2nc(C)sc2c1 ZINC000024044019 174059771 /nfs/dbraw/zinc/05/97/71/174059771.db2.gz BNSRHBDWTRZAFM-UHFFFAOYSA-N 0 0 236.296 2.190 50 0 BEAARN COCC(=O)Nc1cccc(-c2nccs2)c1 ZINC000047408720 174059915 /nfs/dbraw/zinc/05/99/15/174059915.db2.gz RLBMJESQBVBTAN-UHFFFAOYSA-N 0 0 248.307 2.395 50 0 BEAARN COCC(=O)Nc1ccccc1Br ZINC000000458103 174060193 /nfs/dbraw/zinc/06/01/93/174060193.db2.gz NQVSYLSNUWFMCH-UHFFFAOYSA-N 0 0 244.088 2.034 50 0 BEAARN COCC(C)(C)CNC(=O)C1C(C)(C)C1(C)C ZINC000067676217 174070640 /nfs/dbraw/zinc/07/06/40/174070640.db2.gz XMFARTRZKKFXRH-UHFFFAOYSA-N 0 0 241.375 2.457 50 0 BEAARN COCCC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000096446369 174134557 /nfs/dbraw/zinc/13/45/57/174134557.db2.gz GGQNZUHWIVWBSJ-NWDGAFQWSA-N 0 0 235.327 2.331 50 0 BEAARN COCCCCNC(=O)c1cc2ccccc2[nH]1 ZINC000044317887 174198553 /nfs/dbraw/zinc/19/85/53/174198553.db2.gz ORCBFEWIPGHSLZ-UHFFFAOYSA-N 0 0 246.310 2.324 50 0 BEAARN COCCCCOC(=O)c1cccc(Cl)n1 ZINC000095461504 174205229 /nfs/dbraw/zinc/20/52/29/174205229.db2.gz BJLLTJRUNVFNCG-UHFFFAOYSA-N 0 0 243.690 2.318 50 0 BEAARN COCCCNC(=O)C[C@@H](C)c1ccccc1 ZINC000002743544 174239822 /nfs/dbraw/zinc/23/98/22/174239822.db2.gz JXTVOQQYKZWERI-GFCCVEGCSA-N 0 0 235.327 2.333 50 0 BEAARN COCCCSC[C@@H]1CCCCO1 ZINC000170602132 174258946 /nfs/dbraw/zinc/25/89/46/174258946.db2.gz IACIFZZQRBNKRW-JTQLQIEISA-N 0 0 204.335 2.325 50 0 BEAARN COCCCSc1ncc2ccccn21 ZINC000071918006 174259583 /nfs/dbraw/zinc/25/95/83/174259583.db2.gz PKVDLWGPZCRSAZ-UHFFFAOYSA-N 0 0 222.313 2.463 50 0 BEAARN COCCN(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000221560202 174271241 /nfs/dbraw/zinc/27/12/41/174271241.db2.gz WEVCSVVJYYKSOZ-SDDRHHMPSA-N 0 0 242.363 2.099 50 0 BEAARN COCCNC(=O)/C=C/c1ccccc1Cl ZINC000002903010 174319715 /nfs/dbraw/zinc/31/97/15/174319715.db2.gz WKEQLPJDNLRCDU-VOTSOKGWSA-N 0 0 239.702 2.116 50 0 BEAARN COCCNC(=O)Cc1cccc2ccccc21 ZINC000002843292 174322223 /nfs/dbraw/zinc/32/22/23/174322223.db2.gz SBXUCGBFEAUHIJ-UHFFFAOYSA-N 0 0 243.306 2.145 50 0 BEAARN COCCNC(=O)Nc1ccccc1SC ZINC000043319610 174325973 /nfs/dbraw/zinc/32/59/73/174325973.db2.gz ROXFPSULVYUCEA-UHFFFAOYSA-N 0 0 240.328 2.176 50 0 BEAARN COCCNC(=O)c1cc(SC)ccc1C ZINC000036396057 174328283 /nfs/dbraw/zinc/32/82/83/174328283.db2.gz PZPVXIIQCSZUHD-UHFFFAOYSA-N 0 0 239.340 2.093 50 0 BEAARN COCCNC(=O)c1ccc(C(C)C)cc1 ZINC000002609207 174328374 /nfs/dbraw/zinc/32/83/74/174328374.db2.gz MTFLSCBCKSVSNB-UHFFFAOYSA-N 0 0 221.300 2.186 50 0 BEAARN COCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000006509577 174328600 /nfs/dbraw/zinc/32/86/00/174328600.db2.gz WBZVXUVAJOUIMM-UHFFFAOYSA-N 0 0 246.310 2.161 50 0 BEAARN COCCOC(=O)Nc1ccccc1C ZINC000002172146 174343281 /nfs/dbraw/zinc/34/32/81/174343281.db2.gz GYJPRIAGDSBEJE-UHFFFAOYSA-N 0 0 209.245 2.190 50 0 BEAARN COCCOc1ccc(NC(=O)C2CC2)cc1 ZINC000014646274 174369145 /nfs/dbraw/zinc/36/91/45/174369145.db2.gz QMCSVKRATSUFET-UHFFFAOYSA-N 0 0 235.283 2.060 50 0 BEAARN COCCOc1ccc2c(C)cc(=O)oc2c1 ZINC000038589891 174369999 /nfs/dbraw/zinc/36/99/99/174369999.db2.gz PEQPFCMAZXLXCU-UHFFFAOYSA-N 0 0 234.251 2.127 50 0 BEAARN COCCSCC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000040508875 174373855 /nfs/dbraw/zinc/37/38/55/174373855.db2.gz LKFPSBHBQCEICC-WDEREUQCSA-N 0 0 245.388 2.061 50 0 BEAARN COCCSCC(=O)NC1CCCCCC1 ZINC000040497761 174374313 /nfs/dbraw/zinc/37/43/13/174374313.db2.gz BMLHAFIZOXIOKB-UHFFFAOYSA-N 0 0 245.388 2.205 50 0 BEAARN COCOc1cccc(C(=O)c2cccnc2)c1 ZINC000019087643 174432054 /nfs/dbraw/zinc/43/20/54/174432054.db2.gz VSIKOBVZRYFUFG-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN COCOc1c(F)ccc(F)c1[Si](C)(C)C ZINC000196162709 174432570 /nfs/dbraw/zinc/43/25/70/174432570.db2.gz IJNOFLKWURSFGU-UHFFFAOYSA-N 0 0 246.329 2.493 50 0 BEAARN CON(C)C(=O)c1cc(C)nc2ccccc21 ZINC000040460771 174658277 /nfs/dbraw/zinc/65/82/77/174658277.db2.gz MEAAJZDZPGBTLN-UHFFFAOYSA-N 0 0 230.267 2.177 50 0 BEAARN CON(C)C(=O)c1cc2ccc(C)cc2nc1C ZINC000032947992 174658286 /nfs/dbraw/zinc/65/82/86/174658286.db2.gz PYYPVBIXCUNULU-UHFFFAOYSA-N 0 0 244.294 2.485 50 0 BEAARN CONC(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000162867424 174666209 /nfs/dbraw/zinc/66/62/09/174666209.db2.gz ZZQXOVWZVDLEAC-JTQLQIEISA-N 0 0 236.315 2.213 50 0 BEAARN CO[C@H]1OC(=O)C(Cl)=C1Nc1ccccc1 ZINC000100706685 174906894 /nfs/dbraw/zinc/90/68/94/174906894.db2.gz FEKYGWUWWLUPQK-NSHDSACASA-N 0 0 239.658 2.078 50 0 BEAARN COc1c2occc2c(N)c2ccc(=O)oc12 ZINC000001593797 174937149 /nfs/dbraw/zinc/93/71/49/174937149.db2.gz MONZOXMQHOAEQD-UHFFFAOYSA-N 0 0 231.207 2.130 50 0 BEAARN COc1cc(-c2cc3ccccc3o2)nc(N)n1 ZINC000032558318 174938295 /nfs/dbraw/zinc/93/82/95/174938295.db2.gz BFSFSQJXSFLBQE-UHFFFAOYSA-N 0 0 241.250 2.481 50 0 BEAARN COc1cc(C)c2c(n1)c(OC)cc(N)c2OC ZINC000104766375 174964252 /nfs/dbraw/zinc/96/42/52/174964252.db2.gz MRLGXBGLWQALKF-UHFFFAOYSA-N 0 0 248.282 2.151 50 0 BEAARN COc1cc(Cl)c(C)cc1NCCCO ZINC000041571760 174988997 /nfs/dbraw/zinc/98/89/97/174988997.db2.gz IRPRJGLQYCMADM-UHFFFAOYSA-N 0 0 229.707 2.451 50 0 BEAARN COc1cc(NC(C)=O)c(OC)cc1Cl ZINC000000060680 175000291 /nfs/dbraw/zinc/00/02/91/175000291.db2.gz OQKSIDOPPLSAOL-UHFFFAOYSA-N 0 0 229.663 2.316 50 0 BEAARN COc1cc(NC(=O)[C@H]2C[C@@H]2C)cc(OC)c1 ZINC000006385969 175000837 /nfs/dbraw/zinc/00/08/37/175000837.db2.gz YQRKNUWRPNIAAQ-UFBFGSQYSA-N 0 0 235.283 2.298 50 0 BEAARN COc1cc2ncnc(Cl)c2c(OC)c1 ZINC000066054826 175008646 /nfs/dbraw/zinc/00/86/46/175008646.db2.gz BTGIKZVZNHHDAU-UHFFFAOYSA-N 0 0 224.647 2.300 50 0 BEAARN COc1cc(OC)cc(C2=NCCS2)c1 ZINC000019925117 175010190 /nfs/dbraw/zinc/01/01/90/175010190.db2.gz RXLMACBVJYCNBP-UHFFFAOYSA-N 0 0 223.297 2.197 50 0 BEAARN COc1cc2c(c(OC)c1)C(=O)CCC2 ZINC000071773892 175019210 /nfs/dbraw/zinc/01/92/10/175019210.db2.gz PXVHOBFCMQGIMG-UHFFFAOYSA-N 0 0 206.241 2.223 50 0 BEAARN COc1cc2c[nH]nc2cc1Br ZINC000051971896 175027606 /nfs/dbraw/zinc/02/76/06/175027606.db2.gz USRTZJDWQCNIEN-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1cc2nc(Cl)n(C)c2cc1OC ZINC000000208461 175028107 /nfs/dbraw/zinc/02/81/07/175028107.db2.gz QIVHTRICRGVNJP-UHFFFAOYSA-N 0 0 226.663 2.244 50 0 BEAARN COc1ccc(-c2c(C)noc2N)cc1OC ZINC000000333567 175030023 /nfs/dbraw/zinc/03/00/23/175030023.db2.gz IUVRYZMIQWZZNS-UHFFFAOYSA-N 0 0 234.255 2.249 50 0 BEAARN COc1ccc(-c2cc(C(=O)N(C)C)on2)cc1 ZINC000004060130 175030890 /nfs/dbraw/zinc/03/08/90/175030890.db2.gz YKVVZNOGWHFQCD-UHFFFAOYSA-N 0 0 246.266 2.052 50 0 BEAARN COc1ccc(-c2cc(C)[nH]n2)cc1OC ZINC000012444991 175031051 /nfs/dbraw/zinc/03/10/51/175031051.db2.gz OYNTXFOWGKKKKC-UHFFFAOYSA-N 0 0 218.256 2.402 50 0 BEAARN COc1ccc(-c2ccc(N)cn2)cc1 ZINC000002563854 175033752 /nfs/dbraw/zinc/03/37/52/175033752.db2.gz DUYYTOFLIZLBKH-UHFFFAOYSA-N 0 0 200.241 2.339 50 0 BEAARN COc1ccc(-c2cccc(NC(C)=O)c2)nn1 ZINC000064542551 175034974 /nfs/dbraw/zinc/03/49/74/175034974.db2.gz PTYAMDDPSBVGPX-UHFFFAOYSA-N 0 0 243.266 2.111 50 0 BEAARN COc1ccc(-c2cnc(C)nc2)cc1 ZINC000095829832 175035593 /nfs/dbraw/zinc/03/55/93/175035593.db2.gz UADCLWIVJAVQAK-UHFFFAOYSA-N 0 0 200.241 2.461 50 0 BEAARN COc1ccc(-c2csc(N)n2)cc1OC ZINC000017126229 175037715 /nfs/dbraw/zinc/03/77/15/175037715.db2.gz QNLNRENPKAQTMJ-UHFFFAOYSA-N 0 0 236.296 2.410 50 0 BEAARN COc1ccc(-n2c(C)cc(=O)cc2C)cc1 ZINC000003167657 175043984 /nfs/dbraw/zinc/04/39/84/175043984.db2.gz PGGUHASYVJXGTK-UHFFFAOYSA-N 0 0 229.279 2.463 50 0 BEAARN COc1ccc(-n2cc(C(C)=O)cn2)cc1 ZINC000019087980 175044366 /nfs/dbraw/zinc/04/43/66/175044366.db2.gz PGMYSSDXHWIJPK-UHFFFAOYSA-N 0 0 216.240 2.084 50 0 BEAARN COc1ccc(Br)cc1OC ZINC000000057133 175051357 /nfs/dbraw/zinc/05/13/57/175051357.db2.gz KBTMGSMZIKLAHN-UHFFFAOYSA-N 0 0 217.062 2.466 50 0 BEAARN COc1ccc(Br)cc1C=O ZINC000000149192 175051488 /nfs/dbraw/zinc/05/14/88/175051488.db2.gz IJIBRSFAXRFPPN-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN COc1ccc(C(=O)N2CCCCC2)cc1OC ZINC000005257292 175055672 /nfs/dbraw/zinc/05/56/72/175055672.db2.gz HJYZNJFFEPUIRG-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN COc1ccc(C(=O)N2CCC[C@H](C)C2)c(O)c1 ZINC000012913393 175057092 /nfs/dbraw/zinc/05/70/92/175057092.db2.gz JMWVXVGJMYPIFO-JTQLQIEISA-N 0 0 249.310 2.273 50 0 BEAARN COc1ccc(C(=O)NC(C)C)cc1Cl ZINC000072436907 175058702 /nfs/dbraw/zinc/05/87/02/175058702.db2.gz AXGCUGCFNRUCLD-UHFFFAOYSA-N 0 0 227.691 2.487 50 0 BEAARN COc1ccc(C(=O)NCc2ccccc2)cn1 ZINC000016699517 175061509 /nfs/dbraw/zinc/06/15/09/175061509.db2.gz JMVQGGRUWKJPLM-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccc(C(=O)OCC2CC2)cc1OC ZINC000078411266 175065073 /nfs/dbraw/zinc/06/50/73/175065073.db2.gz BGVWEVFCGSVQCB-UHFFFAOYSA-N 0 0 236.267 2.271 50 0 BEAARN COc1ccc(C(=O)[C@@H]2CCCC[C@H]2O)cc1 ZINC000071774190 175065188 /nfs/dbraw/zinc/06/51/88/175065188.db2.gz FPFKQVFZWWCVOZ-CHWSQXEVSA-N 0 0 234.295 2.429 50 0 BEAARN COc1ccc(C(=O)[C@H]2CCCC[C@H]2O)cc1 ZINC000071774191 175066417 /nfs/dbraw/zinc/06/64/17/175066417.db2.gz FPFKQVFZWWCVOZ-QWHCGFSZSA-N 0 0 234.295 2.429 50 0 BEAARN COc1ccc(C(=O)c2conc2C(C)=O)cc1 ZINC000001391796 175067029 /nfs/dbraw/zinc/06/70/29/175067029.db2.gz JZGNPEGJBAUHGR-UHFFFAOYSA-N 0 0 245.234 2.117 50 0 BEAARN COc1ccc(C(N)=O)cc1OC1CCCC1 ZINC000000161560 175069857 /nfs/dbraw/zinc/06/98/57/175069857.db2.gz UOYVPADOZOGKLB-UHFFFAOYSA-N 0 0 235.283 2.116 50 0 BEAARN COc1ccc(C)cc1NC(=O)C1CCOCC1 ZINC000025133903 175077867 /nfs/dbraw/zinc/07/78/67/175077867.db2.gz CHKJRNBUGYJXGK-UHFFFAOYSA-N 0 0 249.310 2.369 50 0 BEAARN COc1ccc(C)cc1NC(=O)C1CC1 ZINC000000474887 175077895 /nfs/dbraw/zinc/07/78/95/175077895.db2.gz QXVIHDXGRSBUTM-UHFFFAOYSA-N 0 0 205.257 2.352 50 0 BEAARN COc1ccc(C=O)cc1COc1ccccn1 ZINC000000501255 175086225 /nfs/dbraw/zinc/08/62/25/175086225.db2.gz COKZZJFPDDWZHS-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN COc1ccc(C=O)c(OCc2cccnc2)c1 ZINC000040432878 175086365 /nfs/dbraw/zinc/08/63/65/175086365.db2.gz IKZAIOIDPHCEFB-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN COc1ccc(CC(=O)Nc2ccccn2)cc1 ZINC000008631293 175087316 /nfs/dbraw/zinc/08/73/16/175087316.db2.gz QXWSVLIICPTKMC-UHFFFAOYSA-N 0 0 242.278 2.271 50 0 BEAARN COc1ccc(CCC(=O)n2cccn2)cc1 ZINC000006128179 175088628 /nfs/dbraw/zinc/08/86/28/175088628.db2.gz YREVIFORDIJATL-UHFFFAOYSA-N 0 0 230.267 2.165 50 0 BEAARN COc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000003754741 175098927 /nfs/dbraw/zinc/09/89/27/175098927.db2.gz VHKOUIFYHWLPHA-CYBMUJFWSA-N 0 0 249.310 2.134 50 0 BEAARN COc1ccc(CNc2nncs2)cc1F ZINC000083366831 175113418 /nfs/dbraw/zinc/11/34/18/175113418.db2.gz MXWYUQPNBBPYRW-UHFFFAOYSA-N 0 0 239.275 2.298 50 0 BEAARN COc1ccc(Cl)cc1C(=O)N1CCC1 ZINC000012973883 175119630 /nfs/dbraw/zinc/11/96/30/175119630.db2.gz ABSCKIXZXSIGLN-UHFFFAOYSA-N 0 0 225.675 2.195 50 0 BEAARN COc1ccc(OC(F)(F)F)cc1C=O ZINC000002527881 175162768 /nfs/dbraw/zinc/16/27/68/175162768.db2.gz ATRDCTRZAJKDPL-UHFFFAOYSA-N 0 0 220.146 2.406 50 0 BEAARN COc1ccc(N(C#N)CCCF)cc1 ZINC000279874173 175135196 /nfs/dbraw/zinc/13/51/96/175135196.db2.gz GSTPPKRIIFWWBN-UHFFFAOYSA-N 0 0 208.236 2.342 50 0 BEAARN COc1ccc(N)cc1OC(=O)C(C)(C)C ZINC000096503385 175138355 /nfs/dbraw/zinc/13/83/55/175138355.db2.gz WLYDBFKMNWUZDX-UHFFFAOYSA-N 0 0 223.272 2.229 50 0 BEAARN COc1ccc(NC(=O)C2CCC2)cc1OC ZINC000003517661 175140623 /nfs/dbraw/zinc/14/06/23/175140623.db2.gz MVSIXLHZQXZVPG-UHFFFAOYSA-N 0 0 235.283 2.442 50 0 BEAARN COc1ccc(NC(=O)C(C)C)c(OC)c1 ZINC000000029786 175140930 /nfs/dbraw/zinc/14/09/30/175140930.db2.gz JTYFRQNSPVYNJV-UHFFFAOYSA-N 0 0 223.272 2.298 50 0 BEAARN COc1ccc(NC(=O)CC(C)=O)cc1Cl ZINC000002574937 175141280 /nfs/dbraw/zinc/14/12/80/175141280.db2.gz CEJXDKOXWHAYJB-UHFFFAOYSA-N 0 0 241.674 2.266 50 0 BEAARN COc1ccc(NC(=O)CSC)c(OC)c1 ZINC000007307081 175142261 /nfs/dbraw/zinc/14/22/61/175142261.db2.gz ZHXYBQQVGOQCTJ-UHFFFAOYSA-N 0 0 241.312 2.005 50 0 BEAARN COc1ccc(NC(=O)c2ccco2)cc1O ZINC000070237505 175147383 /nfs/dbraw/zinc/14/73/83/175147383.db2.gz HKQSDTCLHWXVIQ-UHFFFAOYSA-N 0 0 233.223 2.246 50 0 BEAARN COc1ccc(NC2=NCCS2)cc1 ZINC000001455316 175149343 /nfs/dbraw/zinc/14/93/43/175149343.db2.gz WEOIFJBMNPJTJC-UHFFFAOYSA-N 0 0 208.286 2.210 50 0 BEAARN COc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1OC ZINC000096442985 175162495 /nfs/dbraw/zinc/16/24/95/175162495.db2.gz KDZZEDKSRRAHHO-WCBMZHEXSA-N 0 0 236.267 2.265 50 0 BEAARN COc1ccc(OC(=O)[C@H]2C[C@H]2C)cc1OC ZINC000096442982 175163063 /nfs/dbraw/zinc/16/30/63/175163063.db2.gz KDZZEDKSRRAHHO-SCZZXKLOSA-N 0 0 236.267 2.265 50 0 BEAARN COc1ccc(OC)c(/C=C/C(=O)NC(C)C)c1 ZINC000000147194 175163545 /nfs/dbraw/zinc/16/35/45/175163545.db2.gz OHNVASSNYXWDCM-VMPITWQZSA-N 0 0 249.310 2.242 50 0 BEAARN COc1ccc(OC)c(CNc2cnn(C)c2)c1 ZINC000035737627 175166561 /nfs/dbraw/zinc/16/65/61/175166561.db2.gz POOLPZHSOPKXNI-UHFFFAOYSA-N 0 0 247.298 2.049 50 0 BEAARN COc1ccc([C@@H]([NH3+])CC(=O)[O-])c2ccccc12 ZINC000000273730 175179596 /nfs/dbraw/zinc/17/95/96/175179596.db2.gz OPRZIKIUFPFNQS-LBPRGKRZSA-N 0 0 245.278 2.323 50 0 biogenic BEAARN COc1ccc2c(c1)-c1sc(N)nc1CC2 ZINC000086119233 175205994 /nfs/dbraw/zinc/20/59/94/175205994.db2.gz HNUAWEJJZKFBNV-UHFFFAOYSA-N 0 0 232.308 2.500 50 0 BEAARN COc1ccc2c(c1)o/c(=N/N)c1c2CCCC1 ZINC000009418467 175223451 /nfs/dbraw/zinc/22/34/51/175223451.db2.gz WEVCLIUCMQPGQT-JQIJEIRASA-N 0 0 244.294 2.095 50 0 BEAARN COc1ccc2ccc(OC)c(CO)c2c1 ZINC000008727937 175225471 /nfs/dbraw/zinc/22/54/71/175225471.db2.gz OLBXWIJEZKBUBV-UHFFFAOYSA-N 0 0 218.252 2.349 50 0 BEAARN COc1ccc2nc(N3CCCC3=O)sc2c1 ZINC000003212970 175229471 /nfs/dbraw/zinc/22/94/71/175229471.db2.gz PGQGMNUOYDEVIQ-UHFFFAOYSA-N 0 0 248.307 2.432 50 0 BEAARN COc1cccc(-c2cc(C)nc(N)n2)c1F ZINC000032592855 175233446 /nfs/dbraw/zinc/23/34/46/175233446.db2.gz MLZQFAIDDFWROV-UHFFFAOYSA-N 0 0 233.246 2.182 50 0 BEAARN COc1cccc(-n2cc(C(C)=O)cn2)c1 ZINC000019087983 175239012 /nfs/dbraw/zinc/23/90/12/175239012.db2.gz ZEVZEQYTJIGCNE-UHFFFAOYSA-N 0 0 216.240 2.084 50 0 BEAARN COc1cccc(/C=C\C(=O)Nc2cn[nH]c2)c1 ZINC000048455659 175240719 /nfs/dbraw/zinc/24/07/19/175240719.db2.gz GMBUVSVPBAZQJR-WAYWQWQTSA-N 0 0 243.266 2.070 50 0 BEAARN COc1cccc(C(=O)N2CCCCC2)c1 ZINC000004808213 175243211 /nfs/dbraw/zinc/24/32/11/175243211.db2.gz SQCVKBOEYSXZLP-UHFFFAOYSA-N 0 0 219.284 2.321 50 0 BEAARN COc1cccc(C(=O)NC2CCCC2)c1O ZINC000012924782 175244373 /nfs/dbraw/zinc/24/43/73/175244373.db2.gz MTUQYMYEJIGYOY-UHFFFAOYSA-N 0 0 235.283 2.073 50 0 BEAARN COc1cccc(C(=O)Nc2nccs2)c1 ZINC000000311599 175246181 /nfs/dbraw/zinc/24/61/81/175246181.db2.gz BOKRHEAPPQCNSQ-UHFFFAOYSA-N 0 0 234.280 2.404 50 0 BEAARN COc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1 ZINC000000471417 175246447 /nfs/dbraw/zinc/24/64/47/175246447.db2.gz SAEUKNUWAZINCF-UHFFFAOYSA-N 0 0 245.282 2.287 50 0 BEAARN COc1cccc(C=O)c1Br ZINC000036453074 175249304 /nfs/dbraw/zinc/24/93/04/175249304.db2.gz KELPUINOQGYPKR-UHFFFAOYSA-N 0 0 215.046 2.270 50 0 BEAARN COc1cccc(CC2CCN(C(C)=O)CC2)c1 ZINC000097107003 175250540 /nfs/dbraw/zinc/25/05/40/175250540.db2.gz CIMIXZPXYDPYSW-UHFFFAOYSA-N 0 0 247.338 2.496 50 0 BEAARN COc1cccc(CNc2cnn(C)c2)c1OC ZINC000020350270 175268495 /nfs/dbraw/zinc/26/84/95/175268495.db2.gz DYXHNERARKRPIH-UHFFFAOYSA-N 0 0 247.298 2.049 50 0 BEAARN COc1cccc(CNc2ncccn2)c1OC ZINC000022034748 175268863 /nfs/dbraw/zinc/26/88/63/175268863.db2.gz IPWUAKYXUACKLI-UHFFFAOYSA-N 0 0 245.282 2.106 50 0 BEAARN COc1cccc(C[S@](=O)CCC(C)C)n1 ZINC000163643728 175272335 /nfs/dbraw/zinc/27/23/35/175272335.db2.gz NJQCWTPFFRHZSM-INIZCTEOSA-N 0 0 241.356 2.385 50 0 BEAARN COc1cccc(NC(C)=C2CCOC2=O)c1 ZINC000104306316 175275638 /nfs/dbraw/zinc/27/56/38/175275638.db2.gz YDJSYIKTEDQCHR-FMIVXFBMSA-N 0 0 233.267 2.328 50 0 BEAARN COc1cccc(NC(=O)NCC(C)C)c1 ZINC000000396900 175276655 /nfs/dbraw/zinc/27/66/55/175276655.db2.gz SOKIGBJOCIJLQH-UHFFFAOYSA-N 0 0 222.288 2.473 50 0 BEAARN COc1cccc(NC(=O)c2coc(C)n2)c1 ZINC000022538199 175278105 /nfs/dbraw/zinc/27/81/05/175278105.db2.gz JUHOWEIOBMYTFE-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1cccc([C@@H](C)NC(=O)[C@@H]2CCCO2)c1 ZINC000006731217 175286444 /nfs/dbraw/zinc/28/64/44/175286444.db2.gz HISIBKDWWABLJR-MFKMUULPSA-N 0 0 249.310 2.051 50 0 BEAARN COc1cccc([C@H](O)c2ccncc2)c1OC ZINC000004234977 175296283 /nfs/dbraw/zinc/29/62/83/175296283.db2.gz IRFMPRSXHIYMRM-CYBMUJFWSA-N 0 0 245.278 2.181 50 0 BEAARN COc1cccc2cc3c(nc21)NCC3 ZINC000041195165 175307773 /nfs/dbraw/zinc/30/77/73/175307773.db2.gz MKGFGAGXNOBTAE-UHFFFAOYSA-N 0 0 200.241 2.211 50 0 BEAARN COc1ccccc1-c1nn2c(C)nnc2s1 ZINC000000385099 175311792 /nfs/dbraw/zinc/31/17/92/175311792.db2.gz RXBHERXXCHADRE-UHFFFAOYSA-N 0 0 246.295 2.170 50 0 BEAARN COc1ccccc1C=C1SC(=O)NC1=O ZINC000012409153 175314963 /nfs/dbraw/zinc/31/49/63/175314963.db2.gz LJEQHDQLEYCLSC-RMKNXTFCSA-N 0 0 235.264 2.019 50 0 BEAARN COc1ccccc1C1CC(=O)CC(=O)C1 ZINC000100014315 175320607 /nfs/dbraw/zinc/32/06/07/175320607.db2.gz KDFGJXOGEXWKQI-UHFFFAOYSA-N 0 0 218.252 2.101 50 0 BEAARN COc1ccccc1CNCc1snnc1C ZINC000291804079 175330561 /nfs/dbraw/zinc/33/05/61/175330561.db2.gz XOCHJNSGWFGKAG-UHFFFAOYSA-N 0 0 249.339 2.145 50 0 BEAARN COc1ccccc1C[C@H](C)Nc1ccnn1C ZINC000097037935 175334156 /nfs/dbraw/zinc/33/41/56/175334156.db2.gz PLROFRANBQNGOG-NSHDSACASA-N 0 0 245.326 2.472 50 0 BEAARN COc1ccccc1Cn1cccc1C=O ZINC000003030044 175334446 /nfs/dbraw/zinc/33/44/46/175334446.db2.gz YRTIIVVKYMWUMF-UHFFFAOYSA-N 0 0 215.252 2.358 50 0 BEAARN COc1ccccc1NC(=O)c1ccccn1 ZINC000009051355 175337010 /nfs/dbraw/zinc/33/70/10/175337010.db2.gz VLNYBKJCFJQTLW-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccnc(N(C)C(C2CC2)C2CC2)n1 ZINC000065229491 175361048 /nfs/dbraw/zinc/36/10/48/175361048.db2.gz GXMVENLLCXDXTE-UHFFFAOYSA-N 0 0 233.315 2.110 50 0 BEAARN COc1ccnc(N2CCc3ccc(F)cc32)n1 ZINC000058553971 175362487 /nfs/dbraw/zinc/36/24/87/175362487.db2.gz VFHGBDMJWOJUJS-UHFFFAOYSA-N 0 0 245.257 2.319 50 0 BEAARN COc1cncc(OC(=O)OC(C)(C)C)c1 ZINC000035270354 175386459 /nfs/dbraw/zinc/38/64/59/175386459.db2.gz FZUPBWGAAZEDGQ-UHFFFAOYSA-N 0 0 225.244 2.404 50 0 BEAARN COc1n[nH]c2cc(Br)ccc21 ZINC000082046714 175388552 /nfs/dbraw/zinc/38/85/52/175388552.db2.gz XDJDXBGDUSYUGR-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1ncc(Cl)c(Cl)c1OC ZINC000261494433 175399825 /nfs/dbraw/zinc/39/98/25/175399825.db2.gz XMDRFWXPJLMCSF-UHFFFAOYSA-N 0 0 208.044 2.406 50 0 BEAARN COc1ncccc1C(=O)N1CCCC[C@H]1C ZINC000032759732 175404805 /nfs/dbraw/zinc/40/48/05/175404805.db2.gz YAVCBVZMLWMBPQ-SNVBAGLBSA-N 0 0 234.299 2.105 50 0 BEAARN COc1ncccc1NC(=O)c1cccc(F)c1 ZINC000047553890 175409682 /nfs/dbraw/zinc/40/96/82/175409682.db2.gz ATTYHMZDHDDVHY-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN CS(=O)(=O)Oc1ccc2ccccc2c1 ZINC000028051534 175435138 /nfs/dbraw/zinc/43/51/38/175435138.db2.gz MTJASVATBFDNLJ-UHFFFAOYSA-N 0 0 222.265 2.178 50 0 BEAARN CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000154130 175437235 /nfs/dbraw/zinc/43/72/35/175437235.db2.gz PBBNXJVBRMNLIN-UHFFFAOYSA-N 0 0 225.096 2.397 50 0 BEAARN CSCCC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067503983 175469134 /nfs/dbraw/zinc/46/91/34/175469134.db2.gz CKDTVPGSUBOLAQ-NEPJUHHUSA-N 0 0 235.352 2.412 50 0 BEAARN CSCc1noc(Cc2csc(C)n2)n1 ZINC000095355399 175533992 /nfs/dbraw/zinc/53/39/92/175533992.db2.gz KYVHRLPGOARKQO-UHFFFAOYSA-N 0 0 241.341 2.288 50 0 BEAARN CS[C@H](C)CNC(=O)/C=C/c1ccc(C)o1 ZINC000095434444 175560995 /nfs/dbraw/zinc/56/09/95/175560995.db2.gz RUMOBWPMGPDVIL-VQCYPWCPSA-N 0 0 239.340 2.469 50 0 BEAARN CSc1ccc(Cl)c(C(N)=O)c1 ZINC000003476697 175576568 /nfs/dbraw/zinc/57/65/68/175576568.db2.gz NLPPJZYFXDIBNY-UHFFFAOYSA-N 0 0 201.678 2.161 50 0 BEAARN CSc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000038678582 175581112 /nfs/dbraw/zinc/58/11/12/175581112.db2.gz NGXDPKZMMRMQSH-UHFFFAOYSA-N 0 0 243.353 2.313 50 0 BEAARN CSc1ccccc1C(=O)N1CCC1 ZINC000012978539 175581850 /nfs/dbraw/zinc/58/18/50/175581850.db2.gz VTXFOEMWYAUKLT-UHFFFAOYSA-N 0 0 207.298 2.254 50 0 BEAARN C[C@@H](CC(=O)N(C)C)c1ccccc1F ZINC000095408238 175639747 /nfs/dbraw/zinc/63/97/47/175639747.db2.gz BTXGSBOSMWEXLY-VIFPVBQESA-N 0 0 209.264 2.408 50 0 BEAARN C[C@@H](CC(=O)NC1CC1)c1ccccc1 ZINC000040459695 175641666 /nfs/dbraw/zinc/64/16/66/175641666.db2.gz LQUASUFVLLOSRS-JTQLQIEISA-N 0 0 203.285 2.459 50 0 BEAARN C[C@@H](C[C@@H](O)c1cccs1)Nc1ncccn1 ZINC000095973068 175766028 /nfs/dbraw/zinc/76/60/28/175766028.db2.gz BOMTZTYGZXMGKJ-VHSXEESVSA-N 0 0 249.339 2.462 50 0 BEAARN C[C@@H](Cc1ccco1)NC(=O)c1cccnc1 ZINC000033206542 175774494 /nfs/dbraw/zinc/77/44/94/175774494.db2.gz JBRMZVLGMPAGMG-JTQLQIEISA-N 0 0 230.267 2.036 50 0 BEAARN C[C@@H](NC(=O)/C=C\c1ccncn1)C(C)(C)C ZINC000222187683 175823525 /nfs/dbraw/zinc/82/35/25/175823525.db2.gz UXDMRENBORVVFP-WWQCOOJYSA-N 0 0 233.315 2.041 50 0 BEAARN C[C@@H](NC(=O)c1ccc2c(c1)CCO2)C1CC1 ZINC000023111381 175848964 /nfs/dbraw/zinc/84/89/64/175848964.db2.gz MOMCQSQRLIVDCF-SECBINFHSA-N 0 0 231.295 2.150 50 0 BEAARN C[C@@H](Nc1cnccn1)[C@@H](O)c1ccc(F)cc1 ZINC000097104620 175935544 /nfs/dbraw/zinc/93/55/44/175935544.db2.gz FVCZAOIXBOXWPY-NOZJJQNGSA-N 0 0 247.273 2.150 50 0 BEAARN C[C@@H](O)[C@@H](C)SCc1nccn1C(F)F ZINC000096430307 175992547 /nfs/dbraw/zinc/99/25/47/175992547.db2.gz BFGLPRYCFJTQGJ-RNFRBKRXSA-N 0 0 236.287 2.281 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cnoc1 ZINC000075170839 176005612 /nfs/dbraw/zinc/00/56/12/176005612.db2.gz ADGVNVKGHYNNTP-SECBINFHSA-N 0 0 232.239 2.081 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cccnc1 ZINC000000363088 176005703 /nfs/dbraw/zinc/00/57/03/176005703.db2.gz QRNOGFVQLVSQRY-LLVKDONJSA-N 0 0 242.278 2.488 50 0 BEAARN C[C@@H](SCc1ccc(Cl)cc1)C(N)=O ZINC000007483521 176008623 /nfs/dbraw/zinc/00/86/23/176008623.db2.gz HKHSQQUGCAINBW-SSDOTTSWSA-N 0 0 229.732 2.447 50 0 BEAARN C[C@@H]1CC(=O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000038524711 176048469 /nfs/dbraw/zinc/04/84/69/176048469.db2.gz ADBYGASBXODWTQ-RKDXNWHRSA-N 0 0 227.304 2.363 50 0 BEAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C1CC1 ZINC000001636833 176050179 /nfs/dbraw/zinc/05/01/79/176050179.db2.gz RTSIQJJFQYKWGG-SECBINFHSA-N 0 0 244.294 2.160 50 0 BEAARN C[C@@H]1CCCCN1C(=O)COc1ccccc1 ZINC000005527990 176066824 /nfs/dbraw/zinc/06/68/24/176066824.db2.gz RTSZFAOSHRDVRO-GFCCVEGCSA-N 0 0 233.311 2.466 50 0 BEAARN C[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000032873655 176092146 /nfs/dbraw/zinc/09/21/46/176092146.db2.gz JXHREVOMJPSJNB-LLVKDONJSA-N 0 0 221.300 2.471 50 0 BEAARN C[C@@H]1CCCN(C(=O)CSC(F)(F)F)C1 ZINC000040513884 176092413 /nfs/dbraw/zinc/09/24/13/176092413.db2.gz ZVXQESVBBBJSOA-SSDOTTSWSA-N 0 0 241.278 2.498 50 0 BEAARN C[C@@H]1CCCN1C1=NC(=O)[C@H](c2ccccc2)O1 ZINC000039255740 176107016 /nfs/dbraw/zinc/10/70/16/176107016.db2.gz BCKCCDOJBTUCJQ-PWSUYJOCSA-N 0 0 244.294 2.125 50 0 BEAARN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cnccn1 ZINC000072274697 176113363 /nfs/dbraw/zinc/11/33/63/176113363.db2.gz UJRKNUKORQAHFI-NXEZZACHSA-N 0 0 233.315 2.031 50 0 BEAARN C[C@@H]1CCC[C@@H](C(=O)OCc2ccccc2)N1 ZINC000059852233 176113371 /nfs/dbraw/zinc/11/33/71/176113371.db2.gz VCDXZKWEOAGDCL-YPMHNXCESA-N 0 0 233.311 2.260 50 0 BEAARN C[C@@H]1CCC[C@@H](C(=O)OCc2cnn(C)c2)C1 ZINC000076871831 176113887 /nfs/dbraw/zinc/11/38/87/176113887.db2.gz HSFNQUKCFDYQPY-ZYHUDNBSSA-N 0 0 236.315 2.290 50 0 BEAARN C[C@@H]1CCC[C@H](C(=O)OCc2ccccc2)N1 ZINC000059852231 176136620 /nfs/dbraw/zinc/13/66/20/176136620.db2.gz VCDXZKWEOAGDCL-DGCLKSJQSA-N 0 0 233.311 2.260 50 0 BEAARN C[C@@H]1CCN(C(=O)CO[C@H]2CCCC[C@H]2C)C1 ZINC000339703096 176155452 /nfs/dbraw/zinc/15/54/52/176155452.db2.gz QPZSTHFPNYBBLY-UPJWGTAASA-N 0 0 239.359 2.450 50 0 BEAARN C[C@@H]1CCc2sc3[nH]cnc(=NN)c3c2C1 ZINC000000536167 176240797 /nfs/dbraw/zinc/24/07/97/176240797.db2.gz VSNDFZKLFUBIQD-ZCFIWIBFSA-N 0 0 234.328 2.102 50 0 BEAARN C[C@@H]1CCc2sc3[nH]cnc(=O)c3c2C1 ZINC000018204176 176241318 /nfs/dbraw/zinc/24/13/18/176241318.db2.gz DRGDPMWHYDIOAW-ZCFIWIBFSA-N 0 0 220.297 2.109 50 0 BEAARN C[C@@H]1CN(C(=O)CC2CCCC2)[C@H](C)CO1 ZINC000065604339 176244562 /nfs/dbraw/zinc/24/45/62/176244562.db2.gz NEQDQLFXXVXBEL-GHMZBOCLSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CN(C(=O)CC2CCCC2)C[C@@H](C)O1 ZINC000003258468 176244742 /nfs/dbraw/zinc/24/47/42/176244742.db2.gz NPSIAOPIMUGOAK-GHMZBOCLSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CN(Cc2cccc3cccnc32)CCO1 ZINC000036391841 176305714 /nfs/dbraw/zinc/30/57/14/176305714.db2.gz DHDTZALRTNOJTO-GFCCVEGCSA-N 0 0 242.322 2.456 50 0 BEAARN C[C@@H]1CN(c2nc3ccccc3o2)C[C@@H](C)O1 ZINC000012936326 176320810 /nfs/dbraw/zinc/32/08/10/176320810.db2.gz YQNNYXSTVAYHMT-NXEZZACHSA-N 0 0 232.283 2.441 50 0 BEAARN C[C@@H]1COC[C@@H](C)N1C(=O)CSC(C)(C)C ZINC000098012938 176345560 /nfs/dbraw/zinc/34/55/60/176345560.db2.gz YWXFLDBTTFAXPN-NXEZZACHSA-N 0 0 245.388 2.154 50 0 BEAARN C[C@@H]1C[C@@H](C(=O)OC2(C)CCC2)CCC1=O ZINC000095461538 176359888 /nfs/dbraw/zinc/35/98/88/176359888.db2.gz KZHQJEHEUQINIJ-ZJUUUORDSA-N 0 0 224.300 2.478 50 0 BEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cccnc2)C1 ZINC000001456451 176360531 /nfs/dbraw/zinc/36/05/31/176360531.db2.gz DFJFIOBLLXANPJ-GHMZBOCLSA-N 0 0 218.300 2.200 50 0 BEAARN C[C@@H]1C[C@H](Sc2ccccc2)C(=O)O1 ZINC000032736086 176429760 /nfs/dbraw/zinc/42/97/60/176429760.db2.gz BFJMPYZVXRHURN-SCZZXKLOSA-N 0 0 208.282 2.483 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000031343620 176432768 /nfs/dbraw/zinc/43/27/68/176432768.db2.gz GRKQWTRDLYRPKY-LDYMZIIASA-N 0 0 217.268 2.216 50 0 BEAARN C[C@H](NC(=O)CC(C)(C)C)[C@@H]1CCCO1 ZINC000012383256 176789677 /nfs/dbraw/zinc/78/96/77/176789677.db2.gz PLKYZQJNQTUESR-UWVGGRQHSA-N 0 0 213.321 2.106 50 0 BEAARN C[C@H](NC(=O)c1ccco1)C(C)(F)F ZINC000307268955 176820293 /nfs/dbraw/zinc/82/02/93/176820293.db2.gz GJPBMODLGXFBGN-LURJTMIESA-N 0 0 203.188 2.053 50 0 BEAARN C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000108325437 177001679 /nfs/dbraw/zinc/00/16/79/177001679.db2.gz BSFLWGWMCXAUIN-YNEHKIRRSA-N 0 0 237.343 2.105 50 0 BEAARN C[C@H](O)c1ncc(C(F)(F)F)cc1F ZINC000253533934 177018506 /nfs/dbraw/zinc/01/85/06/177018506.db2.gz WDPXHBGMBBCJPF-BYPYZUCNSA-N 0 0 209.142 2.293 50 0 BEAARN C[C@H](OC(=O)[C@@H]1CCCCN1C)c1cccnc1 ZINC000095962713 177019805 /nfs/dbraw/zinc/01/98/05/177019805.db2.gz HUKXNULISVPKPZ-AAEUAGOBSA-N 0 0 248.326 2.170 50 0 BEAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000012380567 177022190 /nfs/dbraw/zinc/02/21/90/177022190.db2.gz ZNHMLPMJKSOPNP-QMMMGPOBSA-N 0 0 239.702 2.386 50 0 BEAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)C ZINC000030873319 177023086 /nfs/dbraw/zinc/02/30/86/177023086.db2.gz NBZORSBUNMWNOG-QMMMGPOBSA-N 0 0 227.691 2.196 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)NC(C)(C)C ZINC000000405629 177024134 /nfs/dbraw/zinc/02/41/34/177024134.db2.gz DNUPZEXKGDVXHW-JTQLQIEISA-N 0 0 221.300 2.369 50 0 BEAARN C[C@H](SCc1cccc(Cl)c1)C(N)=O ZINC000045089799 177027489 /nfs/dbraw/zinc/02/74/89/177027489.db2.gz JZBUBJUTXSFLDR-ZETCQYMHSA-N 0 0 229.732 2.447 50 0 BEAARN C[C@H](SC[C@H](O)CO)c1ccccc1Cl ZINC000095407559 177027791 /nfs/dbraw/zinc/02/77/91/177027791.db2.gz CBFZXGWCUUALQN-DTWKUNHWSA-N 0 0 246.759 2.487 50 0 BEAARN C[C@@H](S[C@@H](C)c1ccc(F)cc1)C(N)=O ZINC000045090884 177028689 /nfs/dbraw/zinc/02/86/89/177028689.db2.gz YREWRJBWCBBYPF-JGVFFNPUSA-N 0 0 227.304 2.494 50 0 BEAARN C[C@H](Sc1nnc(N)s1)C(F)(F)F ZINC000134576712 177030877 /nfs/dbraw/zinc/03/08/77/177030877.db2.gz SMSXNVFBQATZMZ-REOHCLBHSA-N 0 0 229.252 2.163 50 0 BEAARN C[C@H](c1ccc2ccccc2c1)[C@@H]([NH3+])C(=O)[O-] ZINC000005723128 177035131 /nfs/dbraw/zinc/03/51/31/177035131.db2.gz LULOASYNEZFLJY-NOZJJQNGSA-N 0 0 229.279 2.355 50 0 BEAARN C[C@H]1C(=O)N=C2SCCN2[C@H]1c1ccccc1 ZINC000170625829 177058712 /nfs/dbraw/zinc/05/87/12/177058712.db2.gz IBXHOKODRNZKJE-MWLCHTKSSA-N 0 0 246.335 2.309 50 0 BEAARN C[C@@H]1c2cc(-c3csc(N)n3)ccc2NC1=O ZINC000085002884 177060435 /nfs/dbraw/zinc/06/04/35/177060435.db2.gz PNFNFZMBTKZVQC-ZCFIWIBFSA-N 0 0 245.307 2.448 50 0 BEAARN C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000225449581 177063964 /nfs/dbraw/zinc/06/39/64/177063964.db2.gz VJSXSAJVDGYBFZ-GXSJLCMTSA-N 0 0 207.321 2.324 50 0 BEAARN C[C@@H]1CC2(C[C@H](C)[C@@]1(O)C=C1CC1)OCCO2 ZINC000257359236 177068092 /nfs/dbraw/zinc/06/80/92/177068092.db2.gz ZDVMKUBWHJEPDB-GNXNZQSNSA-N 0 0 238.327 2.247 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1 ZINC000012913954 177082729 /nfs/dbraw/zinc/08/27/29/177082729.db2.gz MHOFJBIBOVGCAB-JQWIXIFHSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)C1CC1 ZINC000040108278 177084276 /nfs/dbraw/zinc/08/42/76/177084276.db2.gz IRCUBLHLRPNCNJ-JQWIXIFHSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@H]1CCCC[C@H]1NC(=S)NC1CC1 ZINC000006330470 177089102 /nfs/dbraw/zinc/08/91/02/177089102.db2.gz ANMZJIXUPYVJMT-WCBMZHEXSA-N 0 0 212.362 2.192 50 0 BEAARN C[C@H](OCC1CC1)C(=O)N1CCC[C@H](C)C1 ZINC000119535228 177093937 /nfs/dbraw/zinc/09/39/37/177093937.db2.gz ONLGCIZUVIEQQF-QWRGUYRKSA-N 0 0 225.332 2.060 50 0 BEAARN C[C@H]1CCCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000068824666 177105347 /nfs/dbraw/zinc/10/53/47/177105347.db2.gz WYYHMDDOKYHVOD-QMMMGPOBSA-N 0 0 241.722 2.462 50 0 BEAARN C[C@@H]1CCC[C@H](C)N1Cn1ncn(C)c1=S ZINC000003276955 177117361 /nfs/dbraw/zinc/11/73/61/177117361.db2.gz TXDUKDIGBMQASO-AOOOYVTPSA-N 0 0 240.376 2.171 50 0 BEAARN C[C@H]1CC[C@@H](COC(=O)c2ccoc2)O1 ZINC000095446125 177190126 /nfs/dbraw/zinc/19/01/26/177190126.db2.gz FBKKYUZIFOVWBS-WPRPVWTQSA-N 0 0 210.229 2.004 50 0 BEAARN C[C@H]1CN(C(=O)Nc2ccc(F)cc2)CCO1 ZINC000024014496 177221662 /nfs/dbraw/zinc/22/16/62/177221662.db2.gz WTRJNXUHKZCGHT-VIFPVBQESA-N 0 0 238.262 2.078 50 0 BEAARN C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCO1 ZINC000011230127 177226559 /nfs/dbraw/zinc/22/65/59/177226559.db2.gz NSBRPVRPAFZSHA-JTQLQIEISA-N 0 0 245.278 2.294 50 0 BEAARN C[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000040479463 177263307 /nfs/dbraw/zinc/26/33/07/177263307.db2.gz ZQMFYXFYNGZBDL-JTQLQIEISA-N 0 0 209.264 2.046 50 0 BEAARN C[C@H]1CN(Cc2ccccc2F)C[C@H](C)O1 ZINC000019606651 177266769 /nfs/dbraw/zinc/26/67/69/177266769.db2.gz JLWKCIQQXMVLCP-QWRGUYRKSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@H]1CN(Cc2cncc(F)c2)CCS1 ZINC000274875063 177268963 /nfs/dbraw/zinc/26/89/63/177268963.db2.gz UPRZSOIRCNUIMX-VIFPVBQESA-N 0 0 226.320 2.158 50 0 BEAARN C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@H](C)O1 ZINC000012417645 177268969 /nfs/dbraw/zinc/26/89/69/177268969.db2.gz ZDJTWVZXRZKZTD-OCAPTIKFSA-N 0 0 246.763 2.406 50 0 BEAARN C[C@H]1CN=C(Nc2ccc(O)cc2)S1 ZINC000005739328 177282092 /nfs/dbraw/zinc/28/20/92/177282092.db2.gz QDXRVULQUCTVRI-ZETCQYMHSA-N 0 0 208.286 2.295 50 0 BEAARN C[C@H]1C[C@@H](Sc2ccccc2)C(=O)O1 ZINC000032736085 177338224 /nfs/dbraw/zinc/33/82/24/177338224.db2.gz BFJMPYZVXRHURN-WCBMZHEXSA-N 0 0 208.282 2.483 50 0 BEAARN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)[O-] ZINC000265259937 177339698 /nfs/dbraw/zinc/33/96/98/177339698.db2.gz QNVYZLUZNZVZBH-WCQYABFASA-N 0 0 233.311 2.339 50 0 BEAARN C[C@H]1C[C@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 ZINC000097235820 177354130 /nfs/dbraw/zinc/35/41/30/177354130.db2.gz RXOBDRVVAUZKKE-QWRGUYRKSA-N 0 0 249.358 2.488 50 0 BEAARN C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)[O-])C1 ZINC000237577447 177374947 /nfs/dbraw/zinc/37/49/47/177374947.db2.gz WUQIMQSNEGRWSA-JOYOIKCWSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H]1C[C@H]1NC(=O)c1ccc(OCC2CC2)nc1 ZINC000072094947 177385051 /nfs/dbraw/zinc/38/50/51/177385051.db2.gz GPFOJYWBQSDTJK-JOYOIKCWSA-N 0 0 246.310 2.009 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCO1 ZINC000001054233 177390700 /nfs/dbraw/zinc/39/07/00/177390700.db2.gz UXYQSLYRJLGZGN-GXFFZTMASA-N 0 0 231.295 2.143 50 0 BEAARN C[C@](O)(CNC(=O)C1CCCC1)c1ccccc1 ZINC000070639501 177448988 /nfs/dbraw/zinc/44/89/88/177448988.db2.gz FXSGCLNFCNFVFB-HNNXBMFYSA-N 0 0 247.338 2.201 50 0 BEAARN C[C@]1(C2CC2)NC(=S)N(c2ccccc2)N1 ZINC000004311522 177459151 /nfs/dbraw/zinc/45/91/51/177459151.db2.gz TWPXNKVKSHHEAD-LBPRGKRZSA-N 0 0 233.340 2.012 50 0 BEAARN C[C@]1(CO)CCC[C@@H]1Nc1cncc(Cl)n1 ZINC000096427234 177464502 /nfs/dbraw/zinc/46/45/02/177464502.db2.gz RXKUANIAFUEWSF-GZMMTYOYSA-N 0 0 241.722 2.093 50 0 BEAARN Cc1c(C=O)c2ccccc2n1CCCO ZINC000004943306 177577856 /nfs/dbraw/zinc/57/78/56/177577856.db2.gz KTUIVMMMHDVNGA-UHFFFAOYSA-N 0 0 217.268 2.145 50 0 BEAARN COc1nc(-c2cc(C)c(OC)c(C)c2)nn1C ZINC000426430975 487649461 /nfs/dbraw/zinc/64/94/61/487649461.db2.gz FVKLHCSJCQUSAV-UHFFFAOYSA-N 0 0 247.298 2.116 50 0 BEAARN CC(C)(C)c1nc(-c2ccccc2CO)n[nH]1 ZINC000426434778 487649679 /nfs/dbraw/zinc/64/96/79/487649679.db2.gz BDYYTKAYARARNJ-UHFFFAOYSA-N 0 0 231.299 2.262 50 0 BEAARN COc1ccc(F)c(-c2cc(=O)[nH]c(C)n2)c1 ZINC000426712604 487652240 /nfs/dbraw/zinc/65/22/40/487652240.db2.gz IGFVHCFFUHVHQF-UHFFFAOYSA-N 0 0 234.230 2.305 50 0 BEAARN CCCCN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000102846821 487701531 /nfs/dbraw/zinc/70/15/31/487701531.db2.gz SHHQWCFPXBMQNF-ZJUUUORDSA-N 0 0 241.718 2.304 50 0 BEAARN CCCCN1C(=O)CC2(CCCC2)NC1=O ZINC000082770821 487727290 /nfs/dbraw/zinc/72/72/90/487727290.db2.gz RJVWRKNEARODDS-UHFFFAOYSA-N 0 0 224.304 2.041 50 0 BEAARN O=C(c1noc2c1CCCCC2)N1CCCC1 ZINC000006999996 487763588 /nfs/dbraw/zinc/76/35/88/487763588.db2.gz FEHAJBMDILDBSC-UHFFFAOYSA-N 0 0 234.299 2.180 50 0 BEAARN COc1ccc(N[C@@H](C)C2CCOCC2)cn1 ZINC000097104540 487832206 /nfs/dbraw/zinc/83/22/06/487832206.db2.gz LYFCRJHHGVIOOD-JTQLQIEISA-N 0 0 236.315 2.317 50 0 BEAARN CNC(=O)CSCc1cccc(C(C)C)n1 ZINC000121519533 487915440 /nfs/dbraw/zinc/91/54/40/487915440.db2.gz VHGJCGYDBNFFCO-UHFFFAOYSA-N 0 0 238.356 2.184 50 0 BEAARN CC(C)NC(=O)N1CCC[C@H]1c1ccccn1 ZINC000048922597 487935146 /nfs/dbraw/zinc/93/51/46/487935146.db2.gz SMMATNCUTLANGJ-LBPRGKRZSA-N 0 0 233.315 2.337 50 0 BEAARN CC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000039093916 323091070 /nfs/dbraw/zinc/09/10/70/323091070.db2.gz RMDGQPFDHSRKFU-SECBINFHSA-N 0 0 215.293 2.125 50 0 BEAARN Cc1ccc(OC[C@@H]2CCCCO2)nc1 ZINC000525820619 323099234 /nfs/dbraw/zinc/09/92/34/323099234.db2.gz PGRMYEJSUQHLGW-NSHDSACASA-N 0 0 207.273 2.338 50 0 BEAARN Cc1ccnc(CNC(=O)C[C@H]2CC2(F)F)c1 ZINC000534588945 323154381 /nfs/dbraw/zinc/15/43/81/323154381.db2.gz NQAVCRGBQIKLQL-VIFPVBQESA-N 0 0 240.253 2.052 50 0 BEAARN Cc1ccc(C)c(-c2cnn([C@H](C)C(N)=O)c2)c1 ZINC000534658769 323157984 /nfs/dbraw/zinc/15/79/84/323157984.db2.gz CCAOFLKGNBPJMC-LLVKDONJSA-N 0 0 243.310 2.213 50 0 BEAARN CC[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1C ZINC000534676743 323159192 /nfs/dbraw/zinc/15/91/92/323159192.db2.gz KMCAGKMFXOGKEI-LLVKDONJSA-N 0 0 246.310 2.106 50 0 BEAARN O=C(NCCCn1cccc1)N1CCCCCC1 ZINC000311140376 323172104 /nfs/dbraw/zinc/17/21/04/323172104.db2.gz YOCOEUAFGAJFJS-UHFFFAOYSA-N 0 0 249.358 2.464 50 0 BEAARN C=CCCC(=O)[C@@H](CC=C)C(=O)OCC ZINC000038812548 323236361 /nfs/dbraw/zinc/23/63/61/323236361.db2.gz ZWFSTLNQRMSFCE-SNVBAGLBSA-N 0 0 210.273 2.277 50 0 BEAARN Cc1occc1S[C@@H](C(N)=O)C(C)C ZINC000131405711 325145777 /nfs/dbraw/zinc/14/57/77/325145777.db2.gz YFAYYNNPTKHDEQ-SECBINFHSA-N 0 0 213.302 2.190 50 0 BEAARN CC(C)=CCN1CCOC[C@@H]1c1cccn1C ZINC000131641796 325173012 /nfs/dbraw/zinc/17/30/12/325173012.db2.gz QFSICWOUCRZDFM-CQSZACIVSA-N 0 0 234.343 2.365 50 0 BEAARN NC(=O)c1occc1-c1ccc(F)cc1 ZINC000132641172 325232161 /nfs/dbraw/zinc/23/21/61/325232161.db2.gz TTWPRKBIXDZBJJ-UHFFFAOYSA-N 0 0 205.188 2.185 50 0 BEAARN CNC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000252504450 325688574 /nfs/dbraw/zinc/68/85/74/325688574.db2.gz BOTHIUZXNHVIOG-XIWDZPRGSA-N 0 0 205.257 2.162 50 0 BEAARN Cn1ccn(-c2ccc(Cl)cc2Cl)c1=O ZINC000075260535 487991274 /nfs/dbraw/zinc/99/12/74/487991274.db2.gz ZDWXXRSDNIWCIJ-UHFFFAOYSA-N 0 0 243.093 2.483 50 0 BEAARN C=CC(=O)Nc1cccc(OC(F)F)c1 ZINC000037005825 488002814 /nfs/dbraw/zinc/00/28/14/488002814.db2.gz GNWQJPXLBXGKKE-UHFFFAOYSA-N 0 0 213.183 2.413 50 0 BEAARN Cc1cccc(CN2C(=O)N[C@H](C(C)C)C2=O)c1 ZINC000012984083 488054188 /nfs/dbraw/zinc/05/41/88/488054188.db2.gz UPOOBQUMTKZHRJ-GFCCVEGCSA-N 0 0 246.310 2.071 50 0 BEAARN CC(C)=CC(=O)N[C@H](C)COCC(C)C ZINC000084544398 488058311 /nfs/dbraw/zinc/05/83/11/488058311.db2.gz APUJJYSDBJQWRY-LLVKDONJSA-N 0 0 213.321 2.130 50 0 BEAARN COc1ncccc1C(=O)OCc1ccoc1C ZINC000091696267 488059803 /nfs/dbraw/zinc/05/98/03/488059803.db2.gz AVZCPRPXUFWFTM-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN CO[C@@H](C)c1noc([C@@H]2COc3ccccc32)n1 ZINC000084667788 488078214 /nfs/dbraw/zinc/07/82/14/488078214.db2.gz VEYHECKATYNYDD-WCBMZHEXSA-N 0 0 246.266 2.301 50 0 BEAARN CCC[C@@H]1CCCC[C@H]1NC(=O)COCC ZINC000084740619 488089437 /nfs/dbraw/zinc/08/94/37/488089437.db2.gz ISYWTVBTJQEQGZ-VXGBXAGGSA-N 0 0 227.348 2.498 50 0 BEAARN CCC[C@@H]1CCCC[C@@H]1NC(=O)NOC ZINC000084740635 488089501 /nfs/dbraw/zinc/08/95/01/488089501.db2.gz OYRZZYUUWOKQAM-ZJUUUORDSA-N 0 0 214.309 2.206 50 0 BEAARN CCOCCNC(=O)N(C)[C@H](C)CC(C)C ZINC000084801357 488100234 /nfs/dbraw/zinc/10/02/34/488100234.db2.gz ZYAYHGBWMCHKON-LLVKDONJSA-N 0 0 230.352 2.099 50 0 BEAARN NNc1c(F)c(F)c(Cl)c(F)c1F ZINC000003172338 487481198 /nfs/dbraw/zinc/48/11/98/487481198.db2.gz NEZRPNXEAXSHSO-UHFFFAOYSA-N 0 0 214.549 2.182 50 0 BEAARN CC(=O)c1cc(F)c(Br)cc1O ZINC000117773796 487485419 /nfs/dbraw/zinc/48/54/19/487485419.db2.gz GHCKGFMOZIFIDT-UHFFFAOYSA-N 0 0 233.036 2.496 50 0 BEAARN Cc1csc(CN2CCc3n[nH]c(C)c3C2)n1 ZINC000670440484 487489066 /nfs/dbraw/zinc/48/90/66/487489066.db2.gz VEUBLBSERSJAEP-UHFFFAOYSA-N 0 0 248.355 2.041 50 0 BEAARN CCn1ncnc1[C@H](c1cccc(C)c1)N(C)C ZINC000670445278 487493229 /nfs/dbraw/zinc/49/32/29/487493229.db2.gz GUGUTZQNMKGTMN-ZDUSSCGKSA-N 0 0 244.342 2.257 50 0 BEAARN CC[C@]1(O)CCCN(c2ncc(C(C)C)cn2)C1 ZINC000670451356 487502173 /nfs/dbraw/zinc/50/21/73/487502173.db2.gz KCDKLFHMVPGHAV-AWEZNQCLSA-N 0 0 249.358 2.341 50 0 BEAARN CCOC(=O)COc1cccc2ccc(C)nc21 ZINC000037406317 488146566 /nfs/dbraw/zinc/14/65/66/488146566.db2.gz ROVDXTXQQDHERO-UHFFFAOYSA-N 0 0 245.278 2.485 50 0 BEAARN CN1C(=O)CNc2ccc(C(F)(F)F)cc21 ZINC000214030968 488160857 /nfs/dbraw/zinc/16/08/57/488160857.db2.gz RBJJKLLNLMLWPW-UHFFFAOYSA-N 0 0 230.189 2.094 50 0 BEAARN Cc1ccc(N[C@@H]2CCN(C(C)C)N2C=O)cc1 ZINC000059391218 488170200 /nfs/dbraw/zinc/17/02/00/488170200.db2.gz KMCFDQGJZVHGMR-AWEZNQCLSA-N 0 0 247.342 2.221 50 0 BEAARN O=C(CC1=CCCCC1)Nn1cccc1 ZINC000085449491 488174173 /nfs/dbraw/zinc/17/41/73/488174173.db2.gz KLJYOQVKCHQDSQ-UHFFFAOYSA-N 0 0 204.273 2.449 50 0 BEAARN Cc1nnc(CN(C)Cc2cc(F)ccc2C)o1 ZINC000683673443 488206500 /nfs/dbraw/zinc/20/65/00/488206500.db2.gz XKJYJGGNBZLJGG-UHFFFAOYSA-N 0 0 249.289 2.458 50 0 BEAARN COc1ccc2c(c1)c(C(N)=O)c(C)n2C1CC1 ZINC000078465413 488209156 /nfs/dbraw/zinc/20/91/56/488209156.db2.gz KWZSBTXMEBBQOD-UHFFFAOYSA-N 0 0 244.294 2.392 50 0 BEAARN CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2C)s1 ZINC000042047896 490094974 /nfs/dbraw/zinc/09/49/74/490094974.db2.gz PKHAWROBGLPYHN-SFYZADRCSA-N 0 0 239.344 2.331 50 0 BEAARN CC1(C)CCCC2=C1C[C@@H]1C(=O)NC(=O)[C@H]1C2 ZINC000000211821 490220802 /nfs/dbraw/zinc/22/08/02/490220802.db2.gz FCJRBRDWOJFBPA-UWVGGRQHSA-N 0 0 233.311 2.176 50 0 biogenic BEAARN COc1ncccc1NC(=O)c1scnc1C ZINC000049055223 491083807 /nfs/dbraw/zinc/08/38/07/491083807.db2.gz VRJYTDJYHXVXRZ-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN C[C@H]1CN(C)N[C@H](c2ccccc2)S1 ZINC000039279377 491095881 /nfs/dbraw/zinc/09/58/81/491095881.db2.gz RGECSILYOSYVJM-ONGXEEELSA-N 0 0 208.330 2.257 50 0 BEAARN Nc1cccc(-c2nc(C3CC3)no2)c1 ZINC000020545990 491097843 /nfs/dbraw/zinc/09/78/43/491097843.db2.gz UWYNESDENROIHG-UHFFFAOYSA-N 0 0 201.229 2.196 50 0 BEAARN CC[C@@H](C)COC(=O)CN(C)[C@@H]1CCSC1 ZINC000095452639 491103818 /nfs/dbraw/zinc/10/38/18/491103818.db2.gz YFJHOBSOVNLHLM-GHMZBOCLSA-N 0 0 245.388 2.013 50 0 BEAARN Cc1ccc(NC(=O)Cn2ccc(Cl)n2)cc1 ZINC000097141293 491125470 /nfs/dbraw/zinc/12/54/70/491125470.db2.gz VHGOBOADCKKUOU-UHFFFAOYSA-N 0 0 249.701 2.484 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)c1nc(C2OCCO2)cs1 ZINC000757124981 582499756 /nfs/dbraw/zinc/49/97/56/582499756.db2.gz RWDIZGZVRBZSQI-RNFRBKRXSA-N 0 0 239.296 2.027 50 0 BEAARN COCCSc1nccn1Cc1ccccn1 ZINC000071903267 521782341 /nfs/dbraw/zinc/78/23/41/521782341.db2.gz YFSAJHDKFPWWKW-UHFFFAOYSA-N 0 0 249.339 2.065 50 0 BEAARN COC(=O)c1cc2c[nH]nc2cc1Cl ZINC000203352740 533943249 /nfs/dbraw/zinc/94/32/49/533943249.db2.gz XLLKGZWPVGZUAY-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN Cc1ccnc(OCc2ccccc2)n1 ZINC000095495989 518191284 /nfs/dbraw/zinc/19/12/84/518191284.db2.gz KBYGRYZDJNDSFP-UHFFFAOYSA-N 0 0 200.241 2.364 50 0 BEAARN CC(C)(C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000021009789 534430499 /nfs/dbraw/zinc/43/04/99/534430499.db2.gz JVBBNCOAEMALBI-UHFFFAOYSA-N 0 0 232.283 2.018 50 0 BEAARN CCCCC(=O)NC[C@H](O)c1ccccc1C ZINC000079028528 519911966 /nfs/dbraw/zinc/91/19/66/519911966.db2.gz IYJQYYKBZIJDNY-ZDUSSCGKSA-N 0 0 235.327 2.335 50 0 BEAARN CCCCCc1cn(CC2CCOCC2)nn1 ZINC000091351243 520325023 /nfs/dbraw/zinc/32/50/23/520325023.db2.gz LXFLGNSSDCXEBN-UHFFFAOYSA-N 0 0 237.347 2.437 50 0 BEAARN CCC[C@H](C)CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000241213336 521015583 /nfs/dbraw/zinc/01/55/83/521015583.db2.gz KOEZMIJNCLOAJQ-QJPTWQEYSA-N 0 0 227.348 2.496 50 0 BEAARN CCCC[C@@H](CC)C(=O)NC[C@H]1CCCO1 ZINC000002741661 521017895 /nfs/dbraw/zinc/01/78/95/521017895.db2.gz PVEUPUAPZWVDHP-VXGBXAGGSA-N 0 0 227.348 2.498 50 0 BEAARN CCCc1cc(C(=O)N(C)Cc2ccoc2)no1 ZINC000072410284 521352000 /nfs/dbraw/zinc/35/20/00/521352000.db2.gz ZIULQHFUYNUPER-UHFFFAOYSA-N 0 0 248.282 2.492 50 0 BEAARN CCc1nnc(NCCCc2cccnc2)o1 ZINC000091411389 522779245 /nfs/dbraw/zinc/77/92/45/522779245.db2.gz MTUDRKXOTBXJBH-UHFFFAOYSA-N 0 0 232.287 2.072 50 0 BEAARN CC(=O)N1CCOc2c(Cl)cccc21 ZINC000095415856 534800971 /nfs/dbraw/zinc/80/09/71/534800971.db2.gz SAMJJBREYMFVNS-UHFFFAOYSA-N 0 0 211.648 2.085 50 0 BEAARN Cc1cc(NC(=O)N[C@H]2[C@@H]3CCCC[C@@H]32)no1 ZINC000252669354 525204876 /nfs/dbraw/zinc/20/48/76/525204876.db2.gz HGNMJUYIUMRZKS-JZYVYDRUSA-N 0 0 235.287 2.293 50 0 BEAARN Cc1ccc(OCCC(=O)NCC2CC2)cc1 ZINC000069419898 525402664 /nfs/dbraw/zinc/40/26/64/525402664.db2.gz WQMFRSZQQNYWFH-UHFFFAOYSA-N 0 0 233.311 2.290 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000058393759 525475685 /nfs/dbraw/zinc/47/56/85/525475685.db2.gz WHYVVYQRRWBCCY-ZWNOBZJWSA-N 0 0 230.311 2.229 50 0 BEAARN CC(=O)C(Oc1ccc(Cl)cc1)C(C)=O ZINC000000166470 526387288 /nfs/dbraw/zinc/38/72/88/526387288.db2.gz QOOLFYCEZZCVSE-UHFFFAOYSA-N 0 0 226.659 2.265 50 0 BEAARN O=C(CSCc1cccs1)NC1CC1 ZINC000040162088 527028040 /nfs/dbraw/zinc/02/80/40/527028040.db2.gz NAVQBQMLHCJGAD-UHFFFAOYSA-N 0 0 227.354 2.260 50 0 BEAARN CC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000000190582 527033218 /nfs/dbraw/zinc/03/32/18/527033218.db2.gz MFMFLDOQDXVPQD-UHFFFAOYSA-N 0 0 246.310 2.271 50 0 BEAARN OCC/C=C\CCCO[C@@H]1CCCCO1 ZINC000004973084 527522412 /nfs/dbraw/zinc/52/24/12/527522412.db2.gz ABHBROKWGIRFEX-BIOMNHJASA-N 0 0 214.305 2.248 50 0 BEAARN CCC(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC000057351132 535332983 /nfs/dbraw/zinc/33/29/83/535332983.db2.gz QFOYKZMKJVHIIM-UHFFFAOYSA-N 0 0 248.326 2.180 50 0 BEAARN CCCC[C@@H](CC)CNc1[nH]c(=O)nnc1C ZINC000001810501 535348949 /nfs/dbraw/zinc/34/89/49/535348949.db2.gz HECYDEQPKCSDQX-SNVBAGLBSA-N 0 0 238.335 2.102 50 0 BEAARN O=c1cnc2cc(Br)c[nH]c-2c1 ZINC000584907074 537970287 /nfs/dbraw/zinc/97/02/87/537970287.db2.gz KSYAKPHTYBIMAK-UHFFFAOYSA-N 0 0 225.045 2.098 50 0 BEAARN CC(=O)Nc1ccc(N2CCCC2=O)cc1C ZINC000040546452 566273182 /nfs/dbraw/zinc/27/31/82/566273182.db2.gz HSKFRUZYWGDQPB-UHFFFAOYSA-N 0 0 232.283 2.080 50 0 BEAARN CO[C@H]1CCCCC[C@H]1NC(=O)C(C)(C)C ZINC000098018994 566473806 /nfs/dbraw/zinc/47/38/06/566473806.db2.gz MOGVSUMPPDKTOI-MNOVXSKESA-N 0 0 227.348 2.496 50 0 BEAARN C=CC(=O)NC[C@H]1CCc2ccccc21 ZINC000888102395 583182631 /nfs/dbraw/zinc/18/26/31/583182631.db2.gz UTWYGEYVWRFMCK-LLVKDONJSA-N 0 0 201.269 2.019 50 0 BEAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)O ZINC000004025995 574412146 /nfs/dbraw/zinc/41/21/46/574412146.db2.gz UJNOLBSYLSYIBM-NOOOWODRSA-N 0 0 228.332 2.371 50 0 endogenous,in-man BEAARN O=C1CCCc2nc3nc4ccccc4n3cc21 ZINC000011535651 582488914 /nfs/dbraw/zinc/48/89/14/582488914.db2.gz HAFXLFGCMOOXGI-UHFFFAOYSA-N 0 0 237.262 2.402 50 0 BEAARN Cc1ccnc(OCC2CCOCC2)c1 ZINC000202711980 583091262 /nfs/dbraw/zinc/09/12/62/583091262.db2.gz IXWGURYQMIPLNM-UHFFFAOYSA-N 0 0 207.273 2.195 50 0 BEAARN C/C=C\C(=O)OCC(=O)Nc1c(C)cccc1C ZINC000006502620 583110905 /nfs/dbraw/zinc/11/09/05/583110905.db2.gz SDZLXAFCBPRRCW-XQRVVYSFSA-N 0 0 247.294 2.361 50 0 BEAARN C=CC(=O)N1CCC[C@@H](COc2ccccc2)C1 ZINC000888102107 583181605 /nfs/dbraw/zinc/18/16/05/583181605.db2.gz AYDJGCZLOLSNMJ-CYBMUJFWSA-N 0 0 245.322 2.490 50 0 BEAARN C=CC(=O)NCC1(c2ccccc2)CC1 ZINC000791311426 585976919 /nfs/dbraw/zinc/97/69/19/585976919.db2.gz YLTBASFKPAZUAF-UHFFFAOYSA-N 0 0 201.269 2.020 50 0 BEAARN C=CC(=O)NCCc1cc2ccccc2o1 ZINC000791368107 585979435 /nfs/dbraw/zinc/97/94/35/585979435.db2.gz WXAXOGHISCPDBS-UHFFFAOYSA-N 0 0 215.252 2.278 50 0 BEAARN CC(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000006159735 588330551 /nfs/dbraw/zinc/33/05/51/588330551.db2.gz GUZJGBCZBUEHTB-UHFFFAOYSA-N 0 0 202.257 2.122 50 0 BEAARN C=CC(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000848979045 588422733 /nfs/dbraw/zinc/42/27/33/588422733.db2.gz JQJWUENMYRKCKV-NSHDSACASA-N 0 0 217.268 2.039 50 0 BEAARN C=CC(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000848979250 588422747 /nfs/dbraw/zinc/42/27/47/588422747.db2.gz RETNQBYMUKIKTQ-JTQLQIEISA-N 0 0 247.298 2.187 50 0 BEAARN C=CC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000848979013 588422960 /nfs/dbraw/zinc/42/29/60/588422960.db2.gz IAWAMSLMSGLQSR-GXTWGEPZSA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000848978994 588422998 /nfs/dbraw/zinc/42/29/98/588422998.db2.gz GNPAZYOBPNFQAX-OAHLLOKOSA-N 0 0 245.322 2.457 50 0 BEAARN C=CC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000863971261 589330239 /nfs/dbraw/zinc/33/02/39/589330239.db2.gz MCEFGQLVVCMVHN-OLZOCXBDSA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000863971079 589330319 /nfs/dbraw/zinc/33/03/19/589330319.db2.gz DOWWQGPJMSYHNS-GFCCVEGCSA-N 0 0 216.284 2.177 50 0 BEAARN C=CC(=O)N[C@@H]1CCCc2nc(C)sc21 ZINC000863971236 589330339 /nfs/dbraw/zinc/33/03/39/589330339.db2.gz KWSNVHVOFNNSRL-SECBINFHSA-N 0 0 222.313 2.131 50 0 BEAARN C=CC(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000863971037 589330372 /nfs/dbraw/zinc/33/03/72/589330372.db2.gz CAKFFRMLHCOGJH-GFCCVEGCSA-N 0 0 231.295 2.100 50 0 BEAARN C=CC(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000863971204 589330402 /nfs/dbraw/zinc/33/04/02/589330402.db2.gz JCAZSBZVLUNEQV-CYBMUJFWSA-N 0 0 219.259 2.270 50 0 BEAARN C=CC(=O)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000863971563 589330527 /nfs/dbraw/zinc/33/05/27/589330527.db2.gz YUAUSFDCMRXLCJ-LLVKDONJSA-N 0 0 248.301 2.049 50 0 BEAARN C=CC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000863971324 589330691 /nfs/dbraw/zinc/33/06/91/589330691.db2.gz OUANOVWGPXFWFA-UHFFFAOYSA-N 0 0 230.311 2.049 50 0 BEAARN O=C([O-])[C@@H]1[NH2+]CCC[C@@H]1C1CCCCC1 ZINC000139549464 592404810 /nfs/dbraw/zinc/40/48/10/592404810.db2.gz GLJDBGLMCFJXLJ-GHMZBOCLSA-N 0 0 211.305 2.020 50 0 BEAARN CC(=O)c1nn(C)cc1OCCC1CCC1 ZINC000887268174 592473118 /nfs/dbraw/zinc/47/31/18/592473118.db2.gz DQDLAYITXMAPJR-UHFFFAOYSA-N 0 0 222.288 2.192 50 0 BEAARN CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)[O-] ZINC000049354296 597067072 /nfs/dbraw/zinc/06/70/72/597067072.db2.gz JWIDPYZBSDOXSI-VHSXEESVSA-N 0 0 237.299 2.209 50 0 BEAARN CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)[O-] ZINC000236733436 600851408 /nfs/dbraw/zinc/85/14/08/600851408.db2.gz BAKGPMFMMJCWHN-SNVBAGLBSA-N 0 0 237.299 2.077 50 0 BEAARN Cc1ccn(C(=O)c2cccc(F)c2)n1 ZINC000006743011 635490053 /nfs/dbraw/zinc/49/00/53/635490053.db2.gz LUXLEGYEQUJTOC-UHFFFAOYSA-N 0 0 204.204 2.019 50 0 BEAARN CC(C)CCNc1[nH]c(=O)nc2ccccc21 ZINC000021658144 635513095 /nfs/dbraw/zinc/51/30/95/635513095.db2.gz GECRFNUPOFIBSF-UHFFFAOYSA-N 0 0 231.299 2.381 50 0 BEAARN CCN(C(=O)N(C)C[C@@H]1CCCCO1)C(C)C ZINC000097141727 631299808 /nfs/dbraw/zinc/29/98/08/631299808.db2.gz QHBYICHUCUHFNO-LBPRGKRZSA-N 0 0 242.363 2.338 50 0 BEAARN CCN(C(=O)N1CCC(COC)CC1)C(C)C ZINC000097141735 631300775 /nfs/dbraw/zinc/30/07/75/631300775.db2.gz CMSILFNYRUUZMN-UHFFFAOYSA-N 0 0 242.363 2.195 50 0 BEAARN C[C@H](O)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003895089 633153408 /nfs/dbraw/zinc/15/34/08/633153408.db2.gz QOECDQZHLHVSQQ-RERGEOBBSA-N 0 0 208.301 2.153 50 0 BEAARN Cc1cc2c(nc(C)nc2-c2cn[nH]c2)o1 ZINC000004006296 633910094 /nfs/dbraw/zinc/91/00/94/633910094.db2.gz RVNVPOZNKIJOOP-UHFFFAOYSA-N 0 0 214.228 2.230 50 0 BEAARN C=CC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000888093341 635365146 /nfs/dbraw/zinc/36/51/46/635365146.db2.gz AWMRQESJOJJVNG-JSGCOSHPSA-N 0 0 231.295 2.066 50 0 BEAARN C=C=CCOC(=O)c1sc(COC)nc1C ZINC000888099769 635377040 /nfs/dbraw/zinc/37/70/40/635377040.db2.gz WYVSYWGAOPETAZ-UHFFFAOYSA-N 0 0 239.296 2.096 50 0 BEAARN C=CC(=O)N1CCC(c2ncc(C)s2)CC1 ZINC000863971093 636731612 /nfs/dbraw/zinc/73/16/12/636731612.db2.gz DZSRWNOCGSCVPK-UHFFFAOYSA-N 0 0 236.340 2.344 50 0 BEAARN CN(C)C(=O)c1ccc(-c2ccccc2N)nc1 ZINC000032537296 641359366 /nfs/dbraw/zinc/35/93/66/641359366.db2.gz ALZWWQHWMZHMGT-UHFFFAOYSA-N 0 0 241.294 2.033 50 0 BEAARN C[C@@H](CCCC(C)(C)O)CC1OCCO1 ZINC000002493651 642391890 /nfs/dbraw/zinc/39/18/90/642391890.db2.gz XATGLXMRSQHYNB-JTQLQIEISA-N 0 0 216.321 2.327 50 0 BEAARN Fc1cc2nccnc2cc1N1CCSCC1 ZINC000000613140 642797583 /nfs/dbraw/zinc/79/75/83/642797583.db2.gz KSJZWKSCTHTCOB-UHFFFAOYSA-N 0 0 249.314 2.322 50 0 BEAARN CCC[C@H](Nc1ccccn1)n1cncn1 ZINC000019299966 643039227 /nfs/dbraw/zinc/03/92/27/643039227.db2.gz GIQOSNWBMQZEDH-LLVKDONJSA-N 0 0 217.276 2.084 50 0 BEAARN O=C(OC[C@@H]1CCCOC1)c1ccccc1 ZINC000230572044 643636027 /nfs/dbraw/zinc/63/60/27/643636027.db2.gz WENZOXDGFQZGOW-LLVKDONJSA-N 0 0 220.268 2.270 50 0 BEAARN Nc1cnc(OCC2CC2)c(Br)c1 ZINC000086481764 644141099 /nfs/dbraw/zinc/14/10/99/644141099.db2.gz WHSXXSPDNPOFPM-UHFFFAOYSA-N 0 0 243.104 2.215 50 0 BEAARN Cc1cc(CNC(=O)[C@H]2CC2(C)C)cnc1C ZINC000952962740 644445005 /nfs/dbraw/zinc/44/50/05/644445005.db2.gz FQRUKAOMGOKCAA-GFCCVEGCSA-N 0 0 232.327 2.361 50 0 BEAARN CCc1ncnc(NCc2cnoc2C)c1F ZINC000952992359 644448710 /nfs/dbraw/zinc/44/87/10/644448710.db2.gz KRJMMMXBISNKIZ-UHFFFAOYSA-N 0 0 236.250 2.087 50 0 BEAARN ClC1(Cl)CC(Nc2ncccn2)C1 ZINC000952995083 644451287 /nfs/dbraw/zinc/45/12/87/644451287.db2.gz CPKIBJFUBHBGBG-UHFFFAOYSA-N 0 0 218.087 2.225 50 0 BEAARN Cc1nsc(/C=C/c2cn(C(C)(C)C)nn2)n1 ZINC000952994667 644452250 /nfs/dbraw/zinc/45/22/50/644452250.db2.gz FXXIDPDYKVPTAL-AATRIKPKSA-N 0 0 249.343 2.363 50 0 BEAARN CCCCCc1nc(C2CCC2)n(CCO)n1 ZINC000091644942 644633133 /nfs/dbraw/zinc/63/31/33/644633133.db2.gz LZSPUXQFZMOIOE-UHFFFAOYSA-N 0 0 237.347 2.271 50 0 BEAARN C[C@@H]1CCC[C@@H](C)[NH+]1C1CC(C(=O)[O-])C1 ZINC000725377692 711664727 /nfs/dbraw/zinc/66/47/27/711664727.db2.gz XANKEWWUYDOJKG-NKVNRFPTSA-N 0 0 211.305 2.113 50 0 BEAARN O[C@H]1CCCC[C@H]1n1cc(Cl)cn1 ZINC000038053933 712803889 /nfs/dbraw/zinc/80/38/89/712803889.db2.gz HUSKQOMRXWIBPN-BDAKNGLRSA-N 0 0 200.669 2.013 50 0 BEAARN CC[C@@H](C[C@@H](C)CO)Nc1cncc(Cl)n1 ZINC000076084080 711659258 /nfs/dbraw/zinc/65/92/58/711659258.db2.gz JHMSHMTTZASCRA-BDAKNGLRSA-N 0 0 243.738 2.339 50 0 BEAARN CC[C@@H](C[C@H](C)CO)Nc1cncc(Cl)n1 ZINC000076084086 711659461 /nfs/dbraw/zinc/65/94/61/711659461.db2.gz JHMSHMTTZASCRA-IUCAKERBSA-N 0 0 243.738 2.339 50 0 BEAARN CC(C)[C@H]1CCC(=O)C[C@H]1n1cccn1 ZINC000725358726 711663932 /nfs/dbraw/zinc/66/39/32/711663932.db2.gz BGOHFXNIOWXTFR-VXGBXAGGSA-N 0 0 206.289 2.449 50 0 BEAARN Cn1cc(-c2nc3c(s2)CCC3)cn1 ZINC000888097347 711754995 /nfs/dbraw/zinc/75/49/95/711754995.db2.gz FZQBUPRHTCAHOE-UHFFFAOYSA-N 0 0 205.286 2.032 50 0 BEAARN CC(C)[C@@H]1CCC(=O)C[C@H]1n1cccn1 ZINC000725358724 711967513 /nfs/dbraw/zinc/96/75/13/711967513.db2.gz BGOHFXNIOWXTFR-NWDGAFQWSA-N 0 0 206.289 2.449 50 0 BEAARN CC1(C)Cc2cccc(O[C@@H]3CC[C@H]3O)c2O1 ZINC000704095269 712099668 /nfs/dbraw/zinc/09/96/68/712099668.db2.gz PASAMCAXUVWFRQ-GHMZBOCLSA-N 0 0 234.295 2.302 50 0 BEAARN CCOP(=O)(OCC)C(C)(C)[NH2+]C ZINC000034132597 712373259 /nfs/dbraw/zinc/37/32/59/712373259.db2.gz RWKKRBVBRKUGCJ-UHFFFAOYSA-N 0 0 209.226 2.208 50 0 BEAARN Cc1n[nH]c(=O)n1-c1ccc2ccccc2c1 ZINC000065407031 712391629 /nfs/dbraw/zinc/39/16/29/712391629.db2.gz RBLPHZWXDKYJII-UHFFFAOYSA-N 0 0 225.251 2.022 50 0 BEAARN C=CC(=O)N1CCc2sccc2[C@H]1C ZINC000038100564 712807985 /nfs/dbraw/zinc/80/79/85/712807985.db2.gz ADHORSODJWZWAM-MRVPVSSYSA-N 0 0 207.298 2.380 50 0 BEAARN Nc1[nH][nH]c(=O)c1-c1ccc(Cl)cc1 ZINC000039207996 1165786711 /nfs/dbraw/zinc/78/67/11/1165786711.db2.gz JSEGFVLGLQKEKW-UHFFFAOYSA-N 0 0 209.636 2.018 50 0 BEAARN CCN(Cc1cnn(CC)c1)c1cncc(C)n1 ZINC001772701858 1166508940 /nfs/dbraw/zinc/50/89/40/1166508940.db2.gz BTUPMNWIVBGXOR-UHFFFAOYSA-N 0 0 245.330 2.028 50 0 BEAARN Cc1cnc(CCNC(=O)C(C)C)n1C1CCC1 ZINC000581815842 1166515742 /nfs/dbraw/zinc/51/57/42/1166515742.db2.gz SOLMJVQYWXAIOZ-UHFFFAOYSA-N 0 0 249.358 2.231 50 0 BEAARN CCCCNC(=O)c1cc(N)c(F)cc1C ZINC000304418423 1166918068 /nfs/dbraw/zinc/91/80/68/1166918068.db2.gz PBJCMOWAQDSAOS-UHFFFAOYSA-N 0 0 224.279 2.246 50 0 BEAARN CC(C)S(=O)(=O)c1ccc(N)cc1Cl ZINC000088065031 1167340207 /nfs/dbraw/zinc/34/02/07/1167340207.db2.gz FTDSGUBEDVKXBF-UHFFFAOYSA-N 0 0 233.720 2.104 50 0 BEAARN CO[C@H]1Cc2ccc(NC(=O)C(F)F)cc2C1 ZINC000408514903 971995145 /nfs/dbraw/zinc/99/51/45/971995145.db2.gz PCHOGEHPAXFKKK-JTQLQIEISA-N 0 0 241.237 2.004 50 0 BEAARN CC(C)OCCCNc1cc(=O)[nH]nc1Cl ZINC000585092650 972130823 /nfs/dbraw/zinc/13/08/23/972130823.db2.gz IGZPWXSVYQYMBP-UHFFFAOYSA-N 0 0 245.710 2.063 50 0 BEAARN CCOC1(c2nc(-c3c[nH]cn3)no2)CCCC1 ZINC000585120630 972153378 /nfs/dbraw/zinc/15/33/78/972153378.db2.gz YMEWIHWUBVQGIP-UHFFFAOYSA-N 0 0 248.286 2.266 50 0 BEAARN CCc1c(-c2ccccc2)ncn1CCCO ZINC000585137870 972170349 /nfs/dbraw/zinc/17/03/49/972170349.db2.gz WZQPVIIWUQOMLX-UHFFFAOYSA-N 0 0 230.311 2.495 50 0 BEAARN CCc1nnc(NCc2ccc(CO)cc2)s1 ZINC000695936503 960608485 /nfs/dbraw/zinc/60/84/85/960608485.db2.gz HUQYXKUNLHGNTN-UHFFFAOYSA-N 0 0 249.339 2.205 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](F)C(=O)C2 ZINC000169617977 968233562 /nfs/dbraw/zinc/23/35/62/968233562.db2.gz YYCAGVRICFXYHB-KHQFGBGNSA-N 0 0 243.278 2.065 50 0 BEAARN CSc1nc(Cl)nc(Cl)c1N ZINC000169808527 968238521 /nfs/dbraw/zinc/23/85/21/968238521.db2.gz IQRJRBSSGZKAHO-UHFFFAOYSA-N 0 0 210.089 2.088 50 0 BEAARN CC(C)c1nc(CN2CCc3nocc3C2)co1 ZINC000822281140 968514190 /nfs/dbraw/zinc/51/41/90/968514190.db2.gz APXSXVIOGYRECB-UHFFFAOYSA-N 0 0 247.298 2.344 50 0 BEAARN CC[C@@H](C)Cc1n[nH]c(-c2ccn(CC)n2)n1 ZINC000822620033 968530791 /nfs/dbraw/zinc/53/07/91/968530791.db2.gz OGYYLEDVUXKNNG-SECBINFHSA-N 0 0 233.319 2.277 50 0 BEAARN CC[C@@H](C)Cc1nnc(-c2cc(C)nc(C)n2)[nH]1 ZINC000822619992 968531724 /nfs/dbraw/zinc/53/17/24/968531724.db2.gz HMGVMWVXRMONFJ-MRVPVSSYSA-N 0 0 245.330 2.467 50 0 BEAARN CC[C@H](C)Cc1nnc(-c2cc(C)nc(C)n2)[nH]1 ZINC000822619994 968532380 /nfs/dbraw/zinc/53/23/80/968532380.db2.gz HMGVMWVXRMONFJ-QMMMGPOBSA-N 0 0 245.330 2.467 50 0 BEAARN Cc1ncc(C(=O)N(C)Cc2ccsc2)cn1 ZINC000825276596 968639146 /nfs/dbraw/zinc/63/91/46/968639146.db2.gz DQRFWGMMTZFNQD-UHFFFAOYSA-N 0 0 247.323 2.119 50 0 BEAARN CC(C)(C)C(=O)N[C@@H]1CCC12CCOCC2 ZINC000585406041 973908883 /nfs/dbraw/zinc/90/88/83/973908883.db2.gz AMHNDBSZEYNNDT-SNVBAGLBSA-N 0 0 225.332 2.108 50 0 BEAARN Cc1ccc(OC2CCSCC2)nn1 ZINC000585650504 973921192 /nfs/dbraw/zinc/92/11/92/973921192.db2.gz AMBIJYYDYVEDKQ-UHFFFAOYSA-N 0 0 210.302 2.059 50 0 BEAARN Cc1nccc(OC2CCSCC2)n1 ZINC000585652770 973921317 /nfs/dbraw/zinc/92/13/17/973921317.db2.gz VXLXEPSZGHOOCS-UHFFFAOYSA-N 0 0 210.302 2.059 50 0 BEAARN C=CC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000952884949 974049477 /nfs/dbraw/zinc/04/94/77/974049477.db2.gz UZKVYHWJRKRVBV-ZJUUUORDSA-N 0 0 237.324 2.270 50 0 BEAARN CCc1[nH]cnc1-c1nc(C(C)(C)C)no1 ZINC000952876551 974058277 /nfs/dbraw/zinc/05/82/77/974058277.db2.gz APTRXFFXEKDHSD-UHFFFAOYSA-N 0 0 220.276 2.320 50 0 BEAARN Cc1cc(CNc2nn[nH]c2C)c(C)s1 ZINC000952882111 974063099 /nfs/dbraw/zinc/06/30/99/974063099.db2.gz IRFKCIWYZVGWMU-UHFFFAOYSA-N 0 0 222.317 2.404 50 0 BEAARN C=CC(=O)N1CC[C@@H](c2ccccc2C)C1 ZINC000952888395 974068464 /nfs/dbraw/zinc/06/84/64/974068464.db2.gz XSGGFPVUPAACSF-GFCCVEGCSA-N 0 0 215.296 2.497 50 0 BEAARN CC(C)COC(=O)Nc1ccc(CO)cc1 ZINC000082878908 983487191 /nfs/dbraw/zinc/48/71/91/983487191.db2.gz UYTGOCPSRSQSSQ-UHFFFAOYSA-N 0 0 223.272 2.383 50 0 BEAARN COCC(=O)NCCCc1cc2ccccc2o1 ZINC000888107190 987309425 /nfs/dbraw/zinc/30/94/25/987309425.db2.gz WTJYUMSNDSTZOS-UHFFFAOYSA-N 0 0 247.294 2.128 50 0 BEAARN CCc1nn(C)c(NC(=O)c2cc[nH]c2)c1CC ZINC001506400552 988775203 /nfs/dbraw/zinc/77/52/03/988775203.db2.gz FZCYWFRMZXTKDG-UHFFFAOYSA-N 0 0 246.314 2.125 50 0 BEAARN CC[C@@H]1C=CCN1C(=O)c1n[nH]c2ccccc21 ZINC001506421800 988780315 /nfs/dbraw/zinc/78/03/15/988780315.db2.gz LRHZHDJAVCZGRS-SNVBAGLBSA-N 0 0 241.294 2.354 50 0 BEAARN COc1ccc(F)cc1-c1ncnc2n[nH]cc21 ZINC001506429835 988786304 /nfs/dbraw/zinc/78/63/04/988786304.db2.gz VTPOHJOTVFJARN-UHFFFAOYSA-N 0 0 244.229 2.168 50 0 BEAARN CCN(Cc1cnn(CC)c1)c1ncccc1F ZINC001529119398 990332916 /nfs/dbraw/zinc/33/29/16/990332916.db2.gz GSUKTLNWBLTXNO-UHFFFAOYSA-N 0 0 248.305 2.464 50 0 BEAARN CO[C@H]1COC[C@@H]1Nc1nccc2ccccc21 ZINC001529169345 990335569 /nfs/dbraw/zinc/33/55/69/990335569.db2.gz WZYAKWDJMONCCH-STQMWFEESA-N 0 0 244.294 2.061 50 0 BEAARN CCCc1cnc(C)nc1N[C@H]1CC[C@H](O)CC1 ZINC001529198612 990339174 /nfs/dbraw/zinc/33/91/74/990339174.db2.gz GGJGQHYSCIZQMJ-JOCQHMNTSA-N 0 0 249.358 2.453 50 0 BEAARN Cc1cc(C)n(CCC(=O)N2CCCCCC2)n1 ZINC000027969199 177924511 /nfs/dbraw/zinc/92/45/11/177924511.db2.gz OKWPYRFREGALRR-UHFFFAOYSA-N 0 0 249.358 2.293 50 0 BEAARN Cc1cc(C)n2nc(SCCCF)nc2n1 ZINC000004089719 177933775 /nfs/dbraw/zinc/93/37/75/177933775.db2.gz QAJSXYQATDNKCO-UHFFFAOYSA-N 0 0 240.307 2.193 50 0 BEAARN Cc1cc(C)nc(N(C)Cc2cccnc2)n1 ZINC000097091512 177936603 /nfs/dbraw/zinc/93/66/03/177936603.db2.gz PNDNNUXKADDIHH-UHFFFAOYSA-N 0 0 228.299 2.125 50 0 BEAARN O=C(/C=C\c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000033400822 398141237 /nfs/dbraw/zinc/14/12/37/398141237.db2.gz RXJKBEUFCXFTBD-UJZCVKTISA-N 0 0 249.285 2.134 50 0 BEAARN Cc1cc(C)nc(NCc2ccco2)n1 ZINC000000150087 177945095 /nfs/dbraw/zinc/94/50/95/177945095.db2.gz PXCRHLZDZGQYTQ-UHFFFAOYSA-N 0 0 203.245 2.299 50 0 BEAARN Cc1cc(CNc2cc3c(cc2C)OCO3)[nH]n1 ZINC000032520269 178043608 /nfs/dbraw/zinc/04/36/08/178043608.db2.gz NMPKZFLAHGJRJU-UHFFFAOYSA-N 0 0 245.282 2.367 50 0 BEAARN Cc1cc(COC(=O)c2ccoc2)nc(C)n1 ZINC000097110998 178047409 /nfs/dbraw/zinc/04/74/09/178047409.db2.gz KDECOPRMGXYVFS-UHFFFAOYSA-N 0 0 232.239 2.043 50 0 BEAARN Cc1cc(COc2cccc3c2OCCO3)on1 ZINC000185802910 178048741 /nfs/dbraw/zinc/04/87/41/178048741.db2.gz ZUDCEWLQQZUBEP-UHFFFAOYSA-N 0 0 247.250 2.333 50 0 BEAARN Cc1cc(CSC[C@@H](O)C(F)(F)F)no1 ZINC000191098760 178051986 /nfs/dbraw/zinc/05/19/86/178051986.db2.gz HPSFBAFTSRZPMD-SSDOTTSWSA-N 0 0 241.234 2.139 50 0 BEAARN Cc1cc(Cl)ccc1C[N@H+](C)CCO ZINC000136137047 178065872 /nfs/dbraw/zinc/06/58/72/178065872.db2.gz FEJSFIYNQLEALM-UHFFFAOYSA-N 0 0 213.708 2.073 50 0 BEAARN Cc1cc(Cl)n2nc(C(F)(F)F)nc2n1 ZINC000001418625 178071712 /nfs/dbraw/zinc/07/17/12/178071712.db2.gz ZPRYBESGXFDOSK-UHFFFAOYSA-N 0 0 236.584 2.105 50 0 BEAARN Cc1cc(F)cc(NCc2nccn2C)c1 ZINC000085729514 178079430 /nfs/dbraw/zinc/07/94/30/178079430.db2.gz IBKMYBCAIMXYKF-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN Cc1cc(F)ccc1OC(=O)c1cnn(C)c1 ZINC000165188162 178091493 /nfs/dbraw/zinc/09/14/93/178091493.db2.gz WVOYARXQPFVUKB-UHFFFAOYSA-N 0 0 234.230 2.087 50 0 BEAARN Cc1cc(N)c(Br)cc1F ZINC000036533677 178101368 /nfs/dbraw/zinc/10/13/68/178101368.db2.gz TVGJGCSBDAWDTG-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN Cc1cc(N)c(O)cc1Br ZINC000062152891 178104038 /nfs/dbraw/zinc/10/40/38/178104038.db2.gz LPXPERJCSIOEKV-UHFFFAOYSA-N 0 0 202.051 2.045 50 0 BEAARN Cc1cc(N)ccc1NC(=O)C1CCC1 ZINC000020157078 178105045 /nfs/dbraw/zinc/10/50/45/178105045.db2.gz MSHNDPSIVQBRIX-UHFFFAOYSA-N 0 0 204.273 2.316 50 0 BEAARN Cc1cc(N2CCCC2=O)cc(C)c1N ZINC000012445769 178112823 /nfs/dbraw/zinc/11/28/23/178112823.db2.gz IXNQHGHXLRNSKR-UHFFFAOYSA-N 0 0 204.273 2.012 50 0 BEAARN CCC(CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000016602804 168340483 /nfs/dbraw/zinc/34/04/83/168340483.db2.gz BQIOQFSXHSKDHT-KOLCDFICSA-N 0 0 213.321 2.106 50 0 BEAARN Cc1cc(NC(=O)CCC2CCC2)[nH]c(=O)n1 ZINC000097082726 178128954 /nfs/dbraw/zinc/12/89/54/178128954.db2.gz TWFWLRYLPRYCOE-UHFFFAOYSA-N 0 0 235.287 2.009 50 0 BEAARN Cc1cc(C)n(-c2cc(NC(C)C)ncn2)n1 ZINC000064543261 398205003 /nfs/dbraw/zinc/20/50/03/398205003.db2.gz OHMRYKKTRUJUMR-UHFFFAOYSA-N 0 0 231.303 2.099 50 0 BEAARN Cc1cc(NC(=O)COc2ccccc2)on1 ZINC000013596837 178132416 /nfs/dbraw/zinc/13/24/16/178132416.db2.gz BFNVITUGQRFIBS-UHFFFAOYSA-N 0 0 232.239 2.001 50 0 BEAARN Cc1cc(NC(=O)COC2=CCCC=C2)no1 ZINC000005680862 178132546 /nfs/dbraw/zinc/13/25/46/178132546.db2.gz FYDACQXDWWHBHU-UHFFFAOYSA-N 0 0 234.255 2.172 50 0 BEAARN Cc1cc(NC(=O)CNc2ccc(F)cc2)on1 ZINC000024223929 178133221 /nfs/dbraw/zinc/13/32/21/178133221.db2.gz KOEDNADOBUZGDH-UHFFFAOYSA-N 0 0 249.245 2.173 50 0 BEAARN Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000019396204 538925985 /nfs/dbraw/zinc/92/59/85/538925985.db2.gz DEZQCQPZSAQLOG-UHFFFAOYSA-N 0 0 234.686 2.132 50 0 BEAARN Cc1cc(NC(=O)N[C@@H](C)C(C)C)no1 ZINC000048469441 178141436 /nfs/dbraw/zinc/14/14/36/178141436.db2.gz QYZATZOSQYVPAX-QMMMGPOBSA-N 0 0 211.265 2.149 50 0 BEAARN Cc1cc(NC(=O)Nc2cnn(C)c2)ccc1O ZINC000097104713 178141859 /nfs/dbraw/zinc/14/18/59/178141859.db2.gz JUMYUKDTRBIPOE-UHFFFAOYSA-N 0 0 246.270 2.078 50 0 BEAARN CCc1nc(C)cc(-c2ccc(N(C)C)nc2)n1 ZINC000426734165 398219899 /nfs/dbraw/zinc/21/98/99/398219899.db2.gz TWHKMMSBSBMLGW-UHFFFAOYSA-N 0 0 242.326 2.475 50 0 BEAARN Cc1cc(NC(=O)[C@H]2CC=CCC2)no1 ZINC000040462809 178147824 /nfs/dbraw/zinc/14/78/24/178147824.db2.gz AXDYZJBCDDBNHB-VIFPVBQESA-N 0 0 206.245 2.278 50 0 BEAARN Cc1cc(NC(=O)c2ccc(F)cc2)on1 ZINC000013596646 178150262 /nfs/dbraw/zinc/15/02/62/178150262.db2.gz NRGWXSXPTTYTFA-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1cc(NC2CCC(C)CC2)n2ncnc2n1 ZINC000004937567 178154699 /nfs/dbraw/zinc/15/46/99/178154699.db2.gz YCCPDXXVXAXIMG-UHFFFAOYSA-N 0 0 245.330 2.423 50 0 BEAARN CC/C=C(\C)C(=O)NCc1ccnc(N(C)C)c1 ZINC000097086654 398222207 /nfs/dbraw/zinc/22/22/07/398222207.db2.gz AUYAPFSVQYSWFZ-IZZDOVSWSA-N 0 0 247.342 2.120 50 0 BEAARN Cc1cc(Nc2ccccc2)cc(=O)n1C ZINC000000344196 178193924 /nfs/dbraw/zinc/19/39/24/178193924.db2.gz YXSJBHCSKVNLEV-UHFFFAOYSA-N 0 0 214.268 2.437 50 0 BEAARN Cc1cc(O)c(NC(N)=S)cc1Cl ZINC000169726160 178196827 /nfs/dbraw/zinc/19/68/27/178196827.db2.gz PXGZHALEUIZUOR-UHFFFAOYSA-N 0 0 216.693 2.010 50 0 BEAARN Cc1cc(OC[C@@H]2CCCO2)ccc1N ZINC000014630787 178212492 /nfs/dbraw/zinc/21/24/92/178212492.db2.gz AVZSQNHTFMVTSN-NSHDSACASA-N 0 0 207.273 2.135 50 0 BEAARN Cc1cc(O[C@@H](C)C(N)=O)cc(C(C)C)c1 ZINC000016046956 178213287 /nfs/dbraw/zinc/21/32/87/178213287.db2.gz NESFMWXLIBGQQQ-JTQLQIEISA-N 0 0 221.300 2.371 50 0 BEAARN Cc1nc(/C=C/C(=O)N[C@@H](C)C2CC2)cs1 ZINC000023042245 398230637 /nfs/dbraw/zinc/23/06/37/398230637.db2.gz AVHSTTRNMOTGNT-GJIOHYHPSA-N 0 0 236.340 2.379 50 0 BEAARN Cc1cn2c(n1)CC[C@H](Nc1ncccc1F)C2 ZINC000097104594 398231484 /nfs/dbraw/zinc/23/14/84/398231484.db2.gz CYRYNFBOXZGYGU-JTQLQIEISA-N 0 0 246.289 2.153 50 0 BEAARN CCC(CC)CNC(=O)c1ccc2n[nH]nc2c1 ZINC000071847798 168358745 /nfs/dbraw/zinc/35/87/45/168358745.db2.gz ZAJXWICWVZAMQS-UHFFFAOYSA-N 0 0 246.314 2.124 50 0 BEAARN CC(C)c1nsc(NC2CN(C(C)C)C2)n1 ZINC000170603340 361793729 /nfs/dbraw/zinc/79/37/29/361793729.db2.gz LJQKDHIYNLRLLF-UHFFFAOYSA-N 0 0 240.376 2.166 50 0 BEAARN CC/C=C(/C)C(=O)NCc1c(C)nc(C)nc1C ZINC000170610081 361803992 /nfs/dbraw/zinc/80/39/92/361803992.db2.gz PTNRSWZYNBKSBY-CLFYSBASSA-N 0 0 247.342 2.374 50 0 BEAARN Cc1cc2c(cc1C)C(=O)NC(C)(C)C2 ZINC000000334229 178284777 /nfs/dbraw/zinc/28/47/77/178284777.db2.gz IMRGHYRUUAEGJY-UHFFFAOYSA-N 0 0 203.285 2.368 50 0 BEAARN Cc1cc2c(cc1C)C(=CC(N)=O)NC(C)(C)C2 ZINC000102676961 178285386 /nfs/dbraw/zinc/28/53/86/178285386.db2.gz DXCOCPOTYURGHS-QPEQYQDCSA-N 0 0 244.338 2.054 50 0 BEAARN Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)(F)F)N2 ZINC000012803918 178300499 /nfs/dbraw/zinc/30/04/99/178300499.db2.gz ZFSVZZUTELKOKO-RQJHMYQMSA-N 0 0 219.210 2.499 50 0 BEAARN Cc1cc2nccc(-c3ccncc3)n2n1 ZINC000001384284 178303296 /nfs/dbraw/zinc/30/32/96/178303296.db2.gz MSXYVHOQERUNSG-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN Cc1cc2nccc(-c3ccccn3)n2n1 ZINC000001037169 178304274 /nfs/dbraw/zinc/30/42/74/178304274.db2.gz VYZSVWPQKNQYLV-UHFFFAOYSA-N 0 0 210.240 2.100 50 0 BEAARN O=c1c2ccccc2cnn1-c1ccc(O)cc1 ZINC000024014164 538945265 /nfs/dbraw/zinc/94/52/65/538945265.db2.gz RFEPXQZHESJWQM-UHFFFAOYSA-N 0 0 238.246 2.091 50 0 BEAARN Cc1ccc(-c2c[nH]c3c2nc[nH]c3=O)cc1 ZINC000057519846 178317700 /nfs/dbraw/zinc/31/77/00/178317700.db2.gz DMZOHLHGTDIMBH-UHFFFAOYSA-N 0 0 225.251 2.227 50 0 BEAARN C[C@H]1Oc2ccccc2O[C@]1(O)c1ccccn1 ZINC000000041334 398252911 /nfs/dbraw/zinc/25/29/11/398252911.db2.gz AUKQTOHWBPYLGE-YGRLFVJLSA-N 0 0 243.262 2.087 50 0 BEAARN Cc1ccc(-c2ncc(S(C)(=O)=O)o2)cc1 ZINC000072238750 178339089 /nfs/dbraw/zinc/33/90/89/178339089.db2.gz FVLIJIDCXCEHLZ-UHFFFAOYSA-N 0 0 237.280 2.054 50 0 BEAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)C ZINC000024643108 538946125 /nfs/dbraw/zinc/94/61/25/538946125.db2.gz VPBVORKCYARTNH-UHFFFAOYSA-N 0 0 234.274 2.246 50 0 BEAARN Cc1ccc(-c2noc([C@H](C)N)n2)cc1F ZINC000021808527 178343187 /nfs/dbraw/zinc/34/31/87/178343187.db2.gz LHEXBYBMDYIUJD-ZETCQYMHSA-N 0 0 221.235 2.204 50 0 BEAARN Cc1ccc(-c2csc3nc(N)nn23)cc1 ZINC000031891204 178330950 /nfs/dbraw/zinc/33/09/50/178330950.db2.gz REHSRIYXCHRWMB-UHFFFAOYSA-N 0 0 230.296 2.348 50 0 BEAARN Cc1ccc(C=CC(=O)Nc2nc[nH]n2)c(C)c1 ZINC000040479565 178354806 /nfs/dbraw/zinc/35/48/06/178354806.db2.gz FVNIBTHEKDCSLV-AATRIKPKSA-N 0 0 242.282 2.073 50 0 BEAARN Cc1ccc(C(=O)N(C)C[C@H]2CCOC2)cc1 ZINC000177339643 178377453 /nfs/dbraw/zinc/37/74/53/178377453.db2.gz AJTWSUDIYHFPKN-GFCCVEGCSA-N 0 0 233.311 2.104 50 0 BEAARN C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1F ZINC000032983370 538951047 /nfs/dbraw/zinc/95/10/47/538951047.db2.gz OCRYRBJMHLRCEV-JOYOIKCWSA-N 0 0 237.274 2.182 50 0 BEAARN Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000013676051 178380117 /nfs/dbraw/zinc/38/01/17/178380117.db2.gz HKYDNEFUCHUNAE-ZIAGYGMSSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2O)cc1 ZINC000016648764 178380965 /nfs/dbraw/zinc/38/09/65/178380965.db2.gz HKYDNEFUCHUNAE-UONOGXRCSA-N 0 0 247.338 2.371 50 0 BEAARN Cc1ccc(C(=O)N2CCCCCC2)cn1 ZINC000032901344 178385846 /nfs/dbraw/zinc/38/58/46/178385846.db2.gz GZFSRJINJASWIX-UHFFFAOYSA-N 0 0 218.300 2.406 50 0 BEAARN Cc1ccc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012670483 178372561 /nfs/dbraw/zinc/37/25/61/178372561.db2.gz BDJCZXGYZWNOTR-BETUJISGSA-N 0 0 247.338 2.287 50 0 BEAARN Cc1ccc(C(=O)N2CCSCC2)c(C)c1 ZINC000040541971 178393692 /nfs/dbraw/zinc/39/36/92/178393692.db2.gz KVDZDPIBYLWYEI-UHFFFAOYSA-N 0 0 235.352 2.492 50 0 BEAARN Cc1ccc(C(=O)N2CCSC2=S)cc1 ZINC000000279522 178393780 /nfs/dbraw/zinc/39/37/80/178393780.db2.gz KXWQVHWLUHGXAV-UHFFFAOYSA-N 0 0 237.349 2.469 50 0 BEAARN Cc1ccc(C(=O)N2CCSCC2)s1 ZINC000040542012 178394353 /nfs/dbraw/zinc/39/43/53/178394353.db2.gz AQASCLGSKHTIGJ-UHFFFAOYSA-N 0 0 227.354 2.246 50 0 BEAARN Clc1ncnc2c1ncn2[C@@H]1CCCCO1 ZINC000000074715 342673041 /nfs/dbraw/zinc/67/30/41/342673041.db2.gz QSTASPNCKDPSAH-ZETCQYMHSA-N 0 0 238.678 2.179 50 0 BEAARN O=S(=O)(c1ccc(Cl)cc1)n1cccc1 ZINC000000092470 342673966 /nfs/dbraw/zinc/67/39/66/342673966.db2.gz ACNNPPGRQRFTSO-UHFFFAOYSA-N 0 0 241.699 2.379 50 0 BEAARN O=C1C=CC(=O)N1c1c(Cl)cccc1Cl ZINC000000094124 342674104 /nfs/dbraw/zinc/67/41/04/342674104.db2.gz NBBSRCNQHUNISD-UHFFFAOYSA-N 0 0 242.061 2.423 50 0 BEAARN O=C1C=CC(=O)N1c1cccc2ccccc21 ZINC000000096648 342674179 /nfs/dbraw/zinc/67/41/79/342674179.db2.gz BAWHYOHVWHQWFQ-UHFFFAOYSA-N 0 0 223.231 2.269 50 0 BEAARN CC1(C)C[C@@](CC(N)=O)(c2ccccc2)CCO1 ZINC000000102346 342674480 /nfs/dbraw/zinc/67/44/80/342674480.db2.gz YZRKIWYGJDTNIJ-OAHLLOKOSA-N 0 0 247.338 2.389 50 0 BEAARN Cc1ccc2c(c1)sc1nc(=O)ccn21 ZINC000000110292 342674944 /nfs/dbraw/zinc/67/49/44/342674944.db2.gz ZCEAPVBNMIHFOX-UHFFFAOYSA-N 0 0 216.265 2.218 50 0 BEAARN O=C(COc1ccc(Cl)cc1)N1CCCC1 ZINC000000116366 342675326 /nfs/dbraw/zinc/67/53/26/342675326.db2.gz JZIDYAZQVPGXGR-UHFFFAOYSA-N 0 0 239.702 2.341 50 0 BEAARN Cn1ccnc1SCC(=O)c1ccccc1 ZINC000000123327 342675797 /nfs/dbraw/zinc/67/57/97/342675797.db2.gz HLWDVRIELKWZTQ-UHFFFAOYSA-N 0 0 232.308 2.395 50 0 BEAARN Nc1cccc(C(=O)c2cccc(N)c2)c1 ZINC000000156685 342678159 /nfs/dbraw/zinc/67/81/59/342678159.db2.gz TUQQUUXMCKXGDI-UHFFFAOYSA-N 0 0 212.252 2.082 50 0 BEAARN CCSC1=NCN(Cc2cccs2)CN1 ZINC000000166195 342678618 /nfs/dbraw/zinc/67/86/18/342678618.db2.gz GMMFAMPGNOZUML-UHFFFAOYSA-N 0 0 241.385 2.177 50 0 BEAARN O=C(c1cc2ccccc2s1)N1CCOCC1 ZINC000000166796 342678755 /nfs/dbraw/zinc/67/87/55/342678755.db2.gz BQBXBCPUICXXRC-UHFFFAOYSA-N 0 0 247.319 2.374 50 0 BEAARN Nc1ccccc1NC(=O)c1ccccc1O ZINC000000166719 342678769 /nfs/dbraw/zinc/67/87/69/342678769.db2.gz VARASSKKKPAGBF-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN O=C(c1ccc2snnc2c1)N1CCCCC1 ZINC000000171497 342679115 /nfs/dbraw/zinc/67/91/15/342679115.db2.gz SPAHGQLVSVQDQN-UHFFFAOYSA-N 0 0 247.323 2.317 50 0 BEAARN CC(C)CNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000174016 342679288 /nfs/dbraw/zinc/67/92/88/342679288.db2.gz WKWYNAMJWDRHBP-GQCTYLIASA-N 0 0 247.294 2.201 50 0 biogenic,in-vitro BEAARN CCSc1cnn(C)c(=O)c1SCC ZINC000000211251 342680250 /nfs/dbraw/zinc/68/02/50/342680250.db2.gz XPLHINHLAGVHJQ-UHFFFAOYSA-N 0 0 230.358 2.004 50 0 BEAARN Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1 ZINC000000236277 342680908 /nfs/dbraw/zinc/68/09/08/342680908.db2.gz KQYWQJHGWUXEJB-UHFFFAOYSA-N 0 0 229.157 2.394 50 0 BEAARN O=C(COC(=O)c1ccco1)c1ccccc1 ZINC000000241400 342681173 /nfs/dbraw/zinc/68/11/73/342681173.db2.gz LQIHFTAJSUTWLW-UHFFFAOYSA-N 0 0 230.219 2.319 50 0 BEAARN Cc1ccc([C@H]2NC(=O)[C@@H](C)S2)cc1 ZINC000000292851 342682378 /nfs/dbraw/zinc/68/23/78/342682378.db2.gz FBQSULSZOOGTHJ-KCJUWKMLSA-N 0 0 207.298 2.245 50 0 BEAARN CCc1c(=O)n(C)c2ccccc2c1OC(C)=O ZINC000000339707 342684035 /nfs/dbraw/zinc/68/40/35/342684035.db2.gz VYGREJIWBFAHHD-UHFFFAOYSA-N 0 0 245.278 2.026 50 0 BEAARN CC(C)c1ccccc1NS(C)(=O)=O ZINC000000383519 342685596 /nfs/dbraw/zinc/68/55/96/342685596.db2.gz CASJONQAGVAUOZ-UHFFFAOYSA-N 0 0 213.302 2.182 50 0 BEAARN CCCC(=O)NCc1ccc(OC)cc1 ZINC000000405575 342687065 /nfs/dbraw/zinc/68/70/65/342687065.db2.gz WCKRIRXDGSUNRR-UHFFFAOYSA-N 0 0 207.273 2.112 50 0 BEAARN Nc1nc(-c2ccccc2)cc(N2CCCC2)n1 ZINC000000449070 342687680 /nfs/dbraw/zinc/68/76/80/342687680.db2.gz RJGLPCKWSFRLCD-UHFFFAOYSA-N 0 0 240.310 2.326 50 0 BEAARN CCOc1ccc(NC(=O)CC(C)=O)cc1 ZINC000000449285 342687882 /nfs/dbraw/zinc/68/78/82/342687882.db2.gz WWROGCAUSKGAMX-UHFFFAOYSA-N 0 0 221.256 2.003 50 0 BEAARN Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cn1 ZINC000041976384 178423294 /nfs/dbraw/zinc/42/32/94/178423294.db2.gz GVEKZARXBWZEQZ-NSHDSACASA-N 0 0 241.294 2.276 50 0 BEAARN NN1C(=O)c2ccccc2N[C@H]1[C@H]1CC=CCC1 ZINC000000473043 342688396 /nfs/dbraw/zinc/68/83/96/342688396.db2.gz SYVYDPXKOTYUHC-GXFFZTMASA-N 0 0 243.310 2.110 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CC(=O)OC2(C)C)cc1 ZINC000000477881 342688492 /nfs/dbraw/zinc/68/84/92/342688492.db2.gz APHCJZUAUZFCJR-LLVKDONJSA-N 0 0 247.294 2.275 50 0 BEAARN Cc1ccc(O)c(-n2nc3ccccc3n2)c1 ZINC000000001336 342669562 /nfs/dbraw/zinc/66/95/62/342669562.db2.gz MCPKSFINULVDNX-UHFFFAOYSA-N 0 0 225.251 2.435 50 0 in-man BEAARN CC[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000000030460 342670067 /nfs/dbraw/zinc/67/00/67/342670067.db2.gz XNCVDGVEKBXSSH-ZIAGYGMSSA-N 0 0 247.338 2.475 50 0 BEAARN Cc1ccc(NC(=O)c2cc[nH]n2)c(C)c1 ZINC000000045765 342671311 /nfs/dbraw/zinc/67/13/11/342671311.db2.gz VXDDFNADZKVOOJ-UHFFFAOYSA-N 0 0 215.256 2.279 50 0 BEAARN COC(=O)c1nc2ccc(OC)cc2s1 ZINC000000051698 342671509 /nfs/dbraw/zinc/67/15/09/342671509.db2.gz VZOPRRYQDHCORU-UHFFFAOYSA-N 0 0 223.253 2.092 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(OC(C)=O)cc1 ZINC000000060658 342672077 /nfs/dbraw/zinc/67/20/77/342672077.db2.gz IRDDCELIOYOJJD-SECBINFHSA-N 0 0 235.283 2.140 50 0 BEAARN CCc1cc(=O)oc2cc(OC)c(OC)cc12 ZINC000000057804 342672156 /nfs/dbraw/zinc/67/21/56/342672156.db2.gz KCNPGHAGVLUKKB-UHFFFAOYSA-N 0 0 234.251 2.373 50 0 BEAARN CCc1cc(I)ccc1N ZINC000000558849 342690053 /nfs/dbraw/zinc/69/00/53/342690053.db2.gz PLKZGDYLTZBAEH-UHFFFAOYSA-N 0 0 247.079 2.436 50 0 BEAARN CCc1ccc(C(=O)Nc2cc(C)on2)o1 ZINC000000619334 342690932 /nfs/dbraw/zinc/69/09/32/342690932.db2.gz IWAIJHBZCTWVRP-UHFFFAOYSA-N 0 0 220.228 2.391 50 0 BEAARN CCCc1nc2cc(NC(C)=O)ccc2[nH]1 ZINC000000613268 342690980 /nfs/dbraw/zinc/69/09/80/342690980.db2.gz CGWOPZGBEYNWFS-UHFFFAOYSA-N 0 0 217.272 2.474 50 0 BEAARN Cc1ccc2c(c1)C(=O)N(c1nccs1)C2=O ZINC000000832251 342693577 /nfs/dbraw/zinc/69/35/77/342693577.db2.gz IRRQYYPYLONJFQ-UHFFFAOYSA-N 0 0 244.275 2.252 50 0 BEAARN Nc1ccc(C(=O)NCc2cccs2)cc1 ZINC000000873673 342694151 /nfs/dbraw/zinc/69/41/51/342694151.db2.gz DRESFVGIWUNALR-UHFFFAOYSA-N 0 0 232.308 2.260 50 0 BEAARN O=C1NC(=O)C(=Cc2ccc(F)cc2)S1 ZINC000001027467 342696126 /nfs/dbraw/zinc/69/61/26/342696126.db2.gz XQEXVSOHLCLCFH-YVMONPNESA-N 0 0 223.228 2.150 50 0 in-vitro BEAARN Nc1ccccc1C(=O)NCc1cccs1 ZINC000001036359 342696232 /nfs/dbraw/zinc/69/62/32/342696232.db2.gz CDOLIILWKFPIOS-UHFFFAOYSA-N 0 0 232.308 2.260 50 0 BEAARN O=C1NC(=O)C(=Cc2ccsc2)S1 ZINC000001204549 342698242 /nfs/dbraw/zinc/69/82/42/342698242.db2.gz YIBJLSACWOVLEB-ZZXKWVIFSA-N 0 0 211.267 2.072 50 0 BEAARN CCCc1c(C)nn(-c2ncccc2N)c1C ZINC000001384444 342699511 /nfs/dbraw/zinc/69/95/11/342699511.db2.gz OTAINLTYVFTSOE-UHFFFAOYSA-N 0 0 230.315 2.419 50 0 BEAARN Nc1nc(Cl)cc(NCc2ccccc2)n1 ZINC000001398022 342699973 /nfs/dbraw/zinc/69/99/73/342699973.db2.gz GXNJAZPAQIPYMJ-UHFFFAOYSA-N 0 0 234.690 2.324 50 0 in-vivo BEAARN Nc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O ZINC000001412437 342700415 /nfs/dbraw/zinc/70/04/15/342700415.db2.gz SSBIOMBKWGPZQK-SSDOTTSWSA-N 0 0 245.307 2.033 50 0 BEAARN CCOc1ccccc1C(=O)N1CCCC1 ZINC000001597440 342705195 /nfs/dbraw/zinc/70/51/95/342705195.db2.gz BFTNVMYODJKDCG-UHFFFAOYSA-N 0 0 219.284 2.321 50 0 BEAARN CSc1nc2c(c(Cl)n1)CCC2 ZINC000001646288 342707091 /nfs/dbraw/zinc/70/70/91/342707091.db2.gz GNDCBYXPXVMIEY-UHFFFAOYSA-N 0 0 200.694 2.341 50 0 BEAARN Nc1ccc2c(c1)C(F)(F)OC(F)(F)O2 ZINC000002382356 342719626 /nfs/dbraw/zinc/71/96/26/342719626.db2.gz ZENKESXKWBIZCV-UHFFFAOYSA-N 0 0 223.125 2.277 50 0 BEAARN CCCCC[C@H](C(C)=O)C(=O)OCC ZINC000002043542 342715362 /nfs/dbraw/zinc/71/53/62/342715362.db2.gz XIGZBCUFFUBWDM-SNVBAGLBSA-N 0 0 200.278 2.335 50 0 BEAARN NNC(=S)Nc1ccc(Cl)cc1Cl ZINC000002168519 342716534 /nfs/dbraw/zinc/71/65/34/342716534.db2.gz PEWKSNLNCRYBNV-UHFFFAOYSA-N 0 0 236.127 2.154 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000004014646 342740740 /nfs/dbraw/zinc/74/07/40/342740740.db2.gz ABDRZHVLIRZFQO-QMMMGPOBSA-N 0 0 233.189 2.180 50 0 BEAARN O=c1ccc(Cc2ccc(Cl)cc2)n[nH]1 ZINC000004024246 342740926 /nfs/dbraw/zinc/74/09/26/342740926.db2.gz TYIDKINXJTXPNQ-UHFFFAOYSA-N 0 0 220.659 2.014 50 0 BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000004051272 342741496 /nfs/dbraw/zinc/74/14/96/342741496.db2.gz CMNPXOOSNAGXEE-QMMMGPOBSA-N 0 0 249.188 2.060 50 0 BEAARN Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 ZINC000004068309 342741682 /nfs/dbraw/zinc/74/16/82/342741682.db2.gz GPMHHSJZGVOEFS-UHFFFAOYSA-N 0 0 237.262 2.376 50 0 world BEAARN Cc1cc(C)n2c(nnc2Nc2ccccc2)n1 ZINC000004192552 342743841 /nfs/dbraw/zinc/74/38/41/342743841.db2.gz QTZRWXOHYBRPIK-UHFFFAOYSA-N 0 0 239.282 2.485 50 0 BEAARN O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000004203348 342743940 /nfs/dbraw/zinc/74/39/40/342743940.db2.gz NRQNCWGEIKPPEQ-HIFRSBDPSA-N 0 0 245.322 2.373 50 0 BEAARN O=C1CS[C@@H](c2ccccc2)N1C1CC1 ZINC000004218185 342744635 /nfs/dbraw/zinc/74/46/35/342744635.db2.gz CAQHDFBDKHDMKL-LBPRGKRZSA-N 0 0 219.309 2.423 50 0 BEAARN O=C(CNCc1ccco1)Nc1ccccc1 ZINC000004218905 342744636 /nfs/dbraw/zinc/74/46/36/342744636.db2.gz NSQBJDBKAYSFTP-UHFFFAOYSA-N 0 0 230.267 2.008 50 0 BEAARN CCN(C)C(=O)NCCc1ccc(F)cc1F ZINC000071899854 342744908 /nfs/dbraw/zinc/74/49/08/342744908.db2.gz SOTYZTLNGDUXPY-UHFFFAOYSA-N 0 0 242.269 2.169 50 0 BEAARN CCc1ccc(/C=C2\SC(=N)NC2=O)cc1 ZINC000004302404 342746634 /nfs/dbraw/zinc/74/66/34/342746634.db2.gz SBJXYXZYEIYNPM-YFHOEESVSA-N 0 0 232.308 2.388 50 0 BEAARN CSc1nnc(NCC2CC2)s1 ZINC000004324334 342746741 /nfs/dbraw/zinc/74/67/41/342746741.db2.gz WBPGJFUKMLPLON-UHFFFAOYSA-N 0 0 201.320 2.082 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000004343311 342746885 /nfs/dbraw/zinc/74/68/85/342746885.db2.gz BDXDRVVZESQZHR-CYBMUJFWSA-N 0 0 233.311 2.026 50 0 BEAARN Nc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000004674332 342750422 /nfs/dbraw/zinc/75/04/22/342750422.db2.gz FTCWIBNIYIEHDT-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN O=C(c1ccccc1CN1CCC1)C1CC1 ZINC000002515642 342722240 /nfs/dbraw/zinc/72/22/40/342722240.db2.gz YMFSRRJXEAMNPX-UHFFFAOYSA-N 0 0 215.296 2.485 50 0 BEAARN Cc1cc(Br)ccc1NN ZINC000002533962 342723190 /nfs/dbraw/zinc/72/31/90/342723190.db2.gz VJTBVNWEWUHQOT-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN COc1cc(Cl)c(C=O)c(OC)c1 ZINC000002555553 342723703 /nfs/dbraw/zinc/72/37/03/342723703.db2.gz WNIGZICIZZIUER-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN COC(=O)c1sc2ncnc(Cl)c2c1C ZINC000002559518 342724124 /nfs/dbraw/zinc/72/41/24/342724124.db2.gz CUNUJTDTFOTOJA-UHFFFAOYSA-N 0 0 242.687 2.440 50 0 BEAARN Cc1cc(C)n(Cc2cccc(N)c2)n1 ZINC000002558377 342724131 /nfs/dbraw/zinc/72/41/31/342724131.db2.gz CFQRNXKPVQMHEL-UHFFFAOYSA-N 0 0 201.273 2.130 50 0 BEAARN Nc1cc(F)c(Br)c(F)c1 ZINC000002560292 342724254 /nfs/dbraw/zinc/72/42/54/342724254.db2.gz DKKUSFDAHRASGO-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN CC(C)(C)OC(=O)NCCc1ccc(O)cc1 ZINC000002563753 342724307 /nfs/dbraw/zinc/72/43/07/342724307.db2.gz ILNOTKMMDBWGOK-UHFFFAOYSA-N 0 0 237.299 2.459 50 0 in-vitro BEAARN O=c1cc[nH]c2ccc(Br)cc12 ZINC000002564351 342724591 /nfs/dbraw/zinc/72/45/91/342724591.db2.gz XKLBNOHKHRAXKK-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN Cc1ccc(I)c(N)c1 ZINC000002570685 342724734 /nfs/dbraw/zinc/72/47/34/342724734.db2.gz KXPBTNCFONSVIA-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN CC(C)(C)C(=O)n1nnc2ccccc21 ZINC000002571471 342724811 /nfs/dbraw/zinc/72/48/11/342724811.db2.gz MQALRDFLWYVZQE-UHFFFAOYSA-N 0 0 203.245 2.118 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])Cc1ccccc1C(F)(F)F ZINC000002575649 342725175 /nfs/dbraw/zinc/72/51/75/342725175.db2.gz VPYQIUMVXMMGSD-QMMMGPOBSA-N 0 0 247.216 2.050 50 0 BEAARN [NH3+][C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000002582454 342725426 /nfs/dbraw/zinc/72/54/26/342725426.db2.gz YXUSXKBQYIPZDJ-ZETCQYMHSA-N 0 0 220.055 2.078 50 0 biogenic BEAARN Cc1ccc(Cn2cc(Cl)c(N)n2)cc1 ZINC000002578498 342725612 /nfs/dbraw/zinc/72/56/12/342725612.db2.gz OHWILXXDWMPFKE-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN CC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000003085984 342730417 /nfs/dbraw/zinc/73/04/17/342730417.db2.gz VRSAVFVWUMHEOU-LBPRGKRZSA-N 0 0 219.284 2.030 50 0 BEAARN CCN1C(=S)S[C@H]2N=C(C)S[C@H]21 ZINC000003121930 342730629 /nfs/dbraw/zinc/73/06/29/342730629.db2.gz VTYKDLHVCGDXJY-PHDIDXHHSA-N 0 0 218.372 2.157 50 0 BEAARN CCOc1cc(Cl)cc(C=O)c1O ZINC000003190883 342731261 /nfs/dbraw/zinc/73/12/61/342731261.db2.gz NMRAFMVJEYGQEM-UHFFFAOYSA-N 0 0 200.621 2.257 50 0 BEAARN Cc1ccc(N2C(=O)[C@H](C(C)C)NC2=S)cc1 ZINC000003261536 342731781 /nfs/dbraw/zinc/73/17/81/342731781.db2.gz URLRESQYWGFJPO-NSHDSACASA-N 0 0 248.351 2.241 50 0 BEAARN Cc1nnc(N2CCC[C@H]2c2ccco2)o1 ZINC000253415452 398280460 /nfs/dbraw/zinc/28/04/60/398280460.db2.gz DPTBUBBKOZRMIR-VIFPVBQESA-N 0 0 219.244 2.313 50 0 BEAARN O=C1NC(=O)C(c2ccccc2)=C1c1ccccc1 ZINC000003847556 342738206 /nfs/dbraw/zinc/73/82/06/342738206.db2.gz WADCPEMKIBAJHH-UHFFFAOYSA-N 0 0 249.269 2.254 50 0 in-vivo BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000035303781 342738585 /nfs/dbraw/zinc/73/85/85/342738585.db2.gz FGXRVXDHQZYPKP-ZDUSSCGKSA-N 0 0 249.310 2.005 50 0 BEAARN NNc1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000004001835 342740479 /nfs/dbraw/zinc/74/04/79/342740479.db2.gz LFYNRHGBVYEUDM-UHFFFAOYSA-N 0 0 245.126 2.405 50 0 BEAARN Cc1ccc(NC(=O)c2ccco2)c(N)c1 ZINC000004954457 342754956 /nfs/dbraw/zinc/75/49/56/342754956.db2.gz VQDYLHLZQFVFAQ-UHFFFAOYSA-N 0 0 216.240 2.423 50 0 BEAARN CCOc1ccc(C=O)cc1Cn1ccnc1 ZINC000004992625 342755928 /nfs/dbraw/zinc/75/59/28/342755928.db2.gz UDWZPBWWVYGNHS-UHFFFAOYSA-N 0 0 230.267 2.143 50 0 BEAARN CC(C)[C@@H]1COC(CC2=N[C@H](C(C)C)CO2)=N1 ZINC000005633387 342767542 /nfs/dbraw/zinc/76/75/42/342767542.db2.gz KEHOIBBPRFRZFW-QWRGUYRKSA-N 0 0 238.331 2.283 50 0 BEAARN O=C(O[C@H]1CCCCC1=O)c1ccccc1 ZINC000005700286 342768479 /nfs/dbraw/zinc/76/84/79/342768479.db2.gz LEVSNIXDZWEGEC-LBPRGKRZSA-N 0 0 218.252 2.355 50 0 BEAARN CCCc1c(C)c2c(O)cc(O)cc2oc1=O ZINC000005686263 342768500 /nfs/dbraw/zinc/76/85/00/342768500.db2.gz ULUBXAPSIALREU-UHFFFAOYSA-N 0 0 234.251 2.465 50 0 biogenic BEAARN Cc1cnc(C(=O)N[C@@H](C)c2ccccc2)cn1 ZINC000003598098 342768794 /nfs/dbraw/zinc/76/87/94/342768794.db2.gz NDWGRECHXGSRPC-NSHDSACASA-N 0 0 241.294 2.276 50 0 BEAARN O=c1[nH]c(Nc2cccc(O)c2)cs1 ZINC000005804433 342770061 /nfs/dbraw/zinc/77/00/61/342770061.db2.gz DPTGGBIVKHHBPN-UHFFFAOYSA-N 0 0 208.242 2.069 50 0 BEAARN FC(F)Oc1cccnc1Br ZINC000083454470 398282144 /nfs/dbraw/zinc/28/21/44/398282144.db2.gz JSKYTOQKHIJDNI-UHFFFAOYSA-N 0 0 224.004 2.446 50 0 BEAARN CCN1C(=O)C[C@H]2Sc3ccccc3N=C21 ZINC000005952472 342772096 /nfs/dbraw/zinc/77/20/96/342772096.db2.gz UJJLBGLTSFFWKR-SNVBAGLBSA-N 0 0 232.308 2.443 50 0 BEAARN Cn1ccc(C(=O)c2ccc(Cl)cc2)n1 ZINC000083571865 398284351 /nfs/dbraw/zinc/28/43/51/398284351.db2.gz KCNQYAOKCGZVCN-UHFFFAOYSA-N 0 0 220.659 2.305 50 0 BEAARN CC(C)(C)CC1(NC(=O)c2cncnc2)CC1 ZINC000584896338 342776514 /nfs/dbraw/zinc/77/65/14/342776514.db2.gz VFNJGFPSOXVCCJ-UHFFFAOYSA-N 0 0 233.315 2.175 50 0 BEAARN O=c1[nH]c2ccccc2n1Cc1ccccc1 ZINC000008649064 342801474 /nfs/dbraw/zinc/80/14/74/342801474.db2.gz AUGPRLHZAOPVIR-UHFFFAOYSA-N 0 0 224.263 2.378 50 0 BEAARN CCCc1nc2cc(CC(=O)OC)ccc2o1 ZINC000008672300 342801620 /nfs/dbraw/zinc/80/16/20/342801620.db2.gz HLPPBLJHJLURFT-UHFFFAOYSA-N 0 0 233.267 2.496 50 0 BEAARN CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000008699913 342802596 /nfs/dbraw/zinc/80/25/96/342802596.db2.gz HEJIYTVOUUVHRY-LBPRGKRZSA-N 0 0 247.294 2.377 50 0 in-vitro BEAARN C=CN1CCCC[C@@H](C(=O)c2ccncc2)C1=O ZINC000006658277 342780621 /nfs/dbraw/zinc/78/06/21/342780621.db2.gz OUXUWUZGOHBWLA-LBPRGKRZSA-N 0 0 244.294 2.037 50 0 BEAARN Cc1c(C)n(CC(C)C)c2ncnc(N)c12 ZINC000006661170 342780699 /nfs/dbraw/zinc/78/06/99/342780699.db2.gz LAHGASQTKYWOBF-UHFFFAOYSA-N 0 0 218.304 2.286 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(F)cc2)on1 ZINC000006738061 342781747 /nfs/dbraw/zinc/78/17/47/342781747.db2.gz NQFZNODZMPLOEB-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN COCc1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000008701446 342802778 /nfs/dbraw/zinc/80/27/78/342802778.db2.gz FICXRYUOAAWVJL-UHFFFAOYSA-N 0 0 237.690 2.459 50 0 BEAARN O=C(OCC(F)(F)C(F)F)c1cccnc1 ZINC000002620193 342788602 /nfs/dbraw/zinc/78/86/02/342788602.db2.gz FMQLCMBNWHVGPW-UHFFFAOYSA-N 0 0 237.152 2.139 50 0 BEAARN COC(=O)CN1CCC[C@@H]1c1cccc(OC)c1 ZINC000054992646 398285458 /nfs/dbraw/zinc/28/54/58/398285458.db2.gz ZZERTFOAAKLPRA-CYBMUJFWSA-N 0 0 249.310 2.005 50 0 BEAARN Cc1cc(=O)cc(C)n1-c1cccc(O)c1 ZINC000007277800 342790594 /nfs/dbraw/zinc/79/05/94/342790594.db2.gz TYARIDJPUOKTAB-UHFFFAOYSA-N 0 0 215.252 2.160 50 0 BEAARN CCc1cnccc1C(=O)OC[C@]1(C)CCCO1 ZINC000097374830 342790919 /nfs/dbraw/zinc/79/09/19/342790919.db2.gz IIGNKHCYBHDIDZ-AWEZNQCLSA-N 0 0 249.310 2.370 50 0 BEAARN CC[C@H](O)c1nc2ccccc2n1CC ZINC000007548552 342792195 /nfs/dbraw/zinc/79/21/95/342792195.db2.gz AJDOYHPEDJFLKG-NSHDSACASA-N 0 0 204.273 2.500 50 0 BEAARN Cc1ccc(C(=O)Nc2nc[nH]n2)cc1Cl ZINC000095532327 178439300 /nfs/dbraw/zinc/43/93/00/178439300.db2.gz UQMOBOUBCVLCMQ-UHFFFAOYSA-N 0 0 236.662 2.019 50 0 BEAARN CCc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000008383052 342799051 /nfs/dbraw/zinc/79/90/51/342799051.db2.gz ADLVBZVVLUPSFD-ZDUSSCGKSA-N 0 0 233.311 2.158 50 0 BEAARN O=C(c1cccc2ccccc21)N1CCOCC1 ZINC000003058129 342799147 /nfs/dbraw/zinc/79/91/47/342799147.db2.gz FEMQUQKOEUMPIA-UHFFFAOYSA-N 0 0 241.290 2.312 50 0 BEAARN CCCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000157641492 342810432 /nfs/dbraw/zinc/81/04/32/342810432.db2.gz NRWYPJZZQNLJEX-CQSZACIVSA-N 0 0 246.354 2.302 50 0 BEAARN CCCn1c(C)nc2cc(C(=O)[O-])ccc21 ZINC000009280132 342811807 /nfs/dbraw/zinc/81/18/07/342811807.db2.gz LRHJEZOOBANSGC-UHFFFAOYSA-N 0 0 218.256 2.453 50 0 BEAARN Nc1cc(C(=O)N2CCCC2)ccc1Cl ZINC000009304514 342812240 /nfs/dbraw/zinc/81/22/40/342812240.db2.gz SWHCTGFQQPMRIY-UHFFFAOYSA-N 0 0 224.691 2.158 50 0 BEAARN Cn1cc(CNc2ccc(F)cc2F)cn1 ZINC000002536139 342805772 /nfs/dbraw/zinc/80/57/72/342805772.db2.gz WZTVIZNPMNDPCS-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN O=c1[nH]c(Nc2ccccc2)nc2c1CCCC2 ZINC000009939344 342829985 /nfs/dbraw/zinc/82/99/85/342829985.db2.gz DULSKIZUOARNES-UHFFFAOYSA-N 0 0 241.294 2.392 50 0 BEAARN CC(C)(C)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000010436536 342836303 /nfs/dbraw/zinc/83/63/03/342836303.db2.gz YRBSHQPMNGEOIU-UHFFFAOYSA-N 0 0 207.273 2.273 50 0 BEAARN CC(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000047178021 538999914 /nfs/dbraw/zinc/99/99/14/538999914.db2.gz STQACGCOGOJIDC-SECBINFHSA-N 0 0 204.273 2.154 50 0 BEAARN COc1ccc([C@@H](O)c2ccccn2)cc1 ZINC000011535628 342841257 /nfs/dbraw/zinc/84/12/57/342841257.db2.gz OQFKODRWEHYZQP-CYBMUJFWSA-N 0 0 215.252 2.172 50 0 in-vitro BEAARN CC(C)c1nnc(Br)s1 ZINC000011920182 342844515 /nfs/dbraw/zinc/84/45/15/342844515.db2.gz ONBQFBOZPYFOOQ-UHFFFAOYSA-N 0 0 207.096 2.424 50 0 BEAARN C=CC(=O)NCc1cccc(Br)c1 ZINC000042418989 361998599 /nfs/dbraw/zinc/99/85/99/361998599.db2.gz HPTNEUMWDCTSFW-UHFFFAOYSA-N 0 0 240.100 2.251 50 0 BEAARN O=C1CC[C@H](C23CC4CC(CC(C4)C2)C3)N1 ZINC000012343436 342849656 /nfs/dbraw/zinc/84/96/56/342849656.db2.gz PAFFQNNKSSOHJU-KIPDHUPVSA-N 0 0 219.328 2.481 50 0 BEAARN O=C1CCc2cc(Br)ccc2N1 ZINC000012647728 342856005 /nfs/dbraw/zinc/85/60/05/342856005.db2.gz MQWZSSIUHXNNTM-UHFFFAOYSA-N 0 0 226.073 2.334 50 0 BEAARN C[C@H](CO)[C@@H]1CC[C@H]2[C@H](O)CCC[C@@]21C ZINC000201050745 342855450 /nfs/dbraw/zinc/85/54/50/342855450.db2.gz FUBPRYXDIHQLGH-KSSYENDESA-N 0 0 212.333 2.192 50 0 BEAARN Cc1nsc(N)c1C(=O)OCc1ccccc1 ZINC000032824325 342878532 /nfs/dbraw/zinc/87/85/32/342878532.db2.gz NRRJTRALTRHWIW-UHFFFAOYSA-N 0 0 248.307 2.391 50 0 BEAARN O=C1NC(c2ccccc2)=N/C1=C/c1ccco1 ZINC000013119755 342863733 /nfs/dbraw/zinc/86/37/33/342863733.db2.gz UKRXBEYPBBEKBK-FMIVXFBMSA-N 0 0 238.246 2.197 50 0 BEAARN COc1cc(C(=S)N2CCCC2)ccc1O ZINC000013127815 342863956 /nfs/dbraw/zinc/86/39/56/342863956.db2.gz QQMDTPUGUVQTBF-UHFFFAOYSA-N 0 0 237.324 2.172 50 0 BEAARN O=c1c(-c2ccccc2)c(O)nc2ccccn21 ZINC000013136445 342864109 /nfs/dbraw/zinc/86/41/09/342864109.db2.gz FILDARUBDGCDIX-UHFFFAOYSA-N 0 0 238.246 2.067 50 0 BEAARN CCc1cc(C(=O)NC[C@H]2CCCO2)cs1 ZINC000013331209 342865696 /nfs/dbraw/zinc/86/56/96/342865696.db2.gz UCDUQZAIROGGFZ-SNVBAGLBSA-N 0 0 239.340 2.219 50 0 BEAARN Cc1onc(C(=O)NC2CCCCC2)c1C ZINC000013641078 342869162 /nfs/dbraw/zinc/86/91/62/342869162.db2.gz BQMUJYLCQLIAAC-UHFFFAOYSA-N 0 0 222.288 2.354 50 0 BEAARN Nc1ccc2[nH]c(-c3cscn3)nc2c1 ZINC000013679482 342870460 /nfs/dbraw/zinc/87/04/60/342870460.db2.gz CUDHOGCHOXYXRZ-UHFFFAOYSA-N 0 0 216.269 2.269 50 0 in-vivo BEAARN C[C@@H](CCc1ccco1)NC(=O)NCC1CC1 ZINC000032779705 342874970 /nfs/dbraw/zinc/87/49/70/342874970.db2.gz CPCSJYGUYNHVAW-JTQLQIEISA-N 0 0 236.315 2.310 50 0 BEAARN CCCn1c2ccc(N)cc2nc1[C@H](C)O ZINC000014000466 342875688 /nfs/dbraw/zinc/87/56/88/342875688.db2.gz ZVGPUXKEXKLMPC-QMMMGPOBSA-N 0 0 219.288 2.082 50 0 BEAARN Cc1ccc(F)c(NC(=O)c2cnccn2)c1 ZINC000015317131 342894350 /nfs/dbraw/zinc/89/43/50/342894350.db2.gz UZZSRKGQFTXLSH-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN CCOc1ccccc1/C=C\C(=O)NC1CC1 ZINC000096623579 398318430 /nfs/dbraw/zinc/31/84/30/398318430.db2.gz LVBBOOZIUFWKEL-YFHOEESVSA-N 0 0 231.295 2.377 50 0 BEAARN O=C(NC(C1CC1)C1CC1)c1ccccn1 ZINC000032903628 342898982 /nfs/dbraw/zinc/89/89/82/342898982.db2.gz MHDDWPJEIUCCIH-UHFFFAOYSA-N 0 0 216.284 2.000 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000032903799 342899097 /nfs/dbraw/zinc/89/90/97/342899097.db2.gz UFTXJUZJSOMUAQ-AOOOYVTPSA-N 0 0 249.358 2.155 50 0 BEAARN C[C@H](CCc1ccccc1)NC(=O)NC1CC1 ZINC000032843696 342881889 /nfs/dbraw/zinc/88/18/89/342881889.db2.gz PNYGPAAFGRVMNP-LLVKDONJSA-N 0 0 232.327 2.469 50 0 BEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C1CCCCC1 ZINC000101380470 398319148 /nfs/dbraw/zinc/31/91/48/398319148.db2.gz RWVJMBBLEMRYQC-TXEJJXNPSA-N 0 0 233.311 2.270 50 0 BEAARN Nc1ccc2c(c1)[nH]c1c2CCCC1=O ZINC000014987835 342890290 /nfs/dbraw/zinc/89/02/90/342890290.db2.gz VSPRWBIYAAFWNR-UHFFFAOYSA-N 0 0 200.241 2.269 50 0 BEAARN CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000236894976 398322876 /nfs/dbraw/zinc/32/28/76/398322876.db2.gz NRNKRRANLHYVCP-CYBMUJFWSA-N 0 0 249.310 2.307 50 0 BEAARN O=c1[nH]n(-c2ccccc2)c2c1CCCC2 ZINC000016523963 342911954 /nfs/dbraw/zinc/91/19/54/342911954.db2.gz VSRKGGZDAWBRTF-UHFFFAOYSA-N 0 0 214.268 2.044 50 0 BEAARN Cc1c(N)cccc1C(=O)NC(C)(C)C ZINC000015746126 342900650 /nfs/dbraw/zinc/90/06/50/342900650.db2.gz IXEWVCCLFLNMKU-UHFFFAOYSA-N 0 0 206.289 2.106 50 0 BEAARN O=c1cc[nH]c2ccc(OC(F)(F)F)cc12 ZINC000015923741 342903370 /nfs/dbraw/zinc/90/33/70/342903370.db2.gz LFCAVZDSLWEEOX-UHFFFAOYSA-N 0 0 229.157 2.427 50 0 BEAARN CC[NH+](CC)Cc1ccc(C(=O)[O-])s1 ZINC000016943905 342917555 /nfs/dbraw/zinc/91/75/55/342917555.db2.gz XCULDPCOTWRRAU-UHFFFAOYSA-N 0 0 213.302 2.288 50 0 BEAARN CCCC(=O)NCC(=O)Nc1cc(C)cc(C)c1 ZINC000032928449 342920369 /nfs/dbraw/zinc/92/03/69/342920369.db2.gz QQTDUOMRAHVEIA-UHFFFAOYSA-N 0 0 248.326 2.158 50 0 BEAARN Cc1ccc(C(=O)N[C@H](C)Cn2cccn2)s1 ZINC000031391305 398325337 /nfs/dbraw/zinc/32/53/37/398325337.db2.gz PVDJQHWSAQVESR-SECBINFHSA-N 0 0 249.339 2.072 50 0 BEAARN CCC[C@H](C)N(C)C(=O)c1ccc2n[nH]nc2c1 ZINC000032064896 398328311 /nfs/dbraw/zinc/32/83/11/398328311.db2.gz FTXNMAKQUMLVAZ-VIFPVBQESA-N 0 0 246.314 2.219 50 0 BEAARN Cc1nnc2c3ccccc3nc(Cl)n12 ZINC000009879784 398331083 /nfs/dbraw/zinc/33/10/83/398331083.db2.gz NUKOIBIDRVCWEU-UHFFFAOYSA-N 0 0 218.647 2.239 50 0 BEAARN Cc1cnn(C2CN(Cc3cnc(C)s3)C2)c1 ZINC000071876827 398331623 /nfs/dbraw/zinc/33/16/23/398331623.db2.gz UENNMIJCHPZRCB-UHFFFAOYSA-N 0 0 248.355 2.013 50 0 BEAARN COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000226444208 398339752 /nfs/dbraw/zinc/33/97/52/398339752.db2.gz YYDATWWTDCKDSK-ZYHUDNBSSA-N 0 0 249.310 2.163 50 0 BEAARN CC(C)C[C@@H](C)Oc1cc(C[NH3+])ccn1 ZINC000019401045 342947301 /nfs/dbraw/zinc/94/73/01/342947301.db2.gz VOJHKEXYZCVKSW-SNVBAGLBSA-N 0 0 208.305 2.354 50 0 BEAARN Cc1ccc(CS[C@@H]2NC[C@@H](C)N2)cc1C ZINC000019324355 342945466 /nfs/dbraw/zinc/94/54/66/342945466.db2.gz KNDMIDHJXJKVOC-DGCLKSJQSA-N 0 0 236.384 2.402 50 0 BEAARN COC(=O)Cc1ccc2c(c1)CCCC2 ZINC000039213364 342957396 /nfs/dbraw/zinc/95/73/96/342957396.db2.gz BMAKTGTZESXGDP-UHFFFAOYSA-N 0 0 204.269 2.281 50 0 BEAARN COc1c(F)c(F)c2ccc(=O)oc2c1F ZINC000000500316 346907799 /nfs/dbraw/zinc/90/77/99/346907799.db2.gz HLPOZWDHUWSENJ-UHFFFAOYSA-N 0 0 230.141 2.219 50 0 BEAARN O=c1cc(-c2ccc(F)cc2)[nH]c(=S)[nH]1 ZINC000020153805 342972113 /nfs/dbraw/zinc/97/21/13/342972113.db2.gz VQADNNGVUZCZOK-UHFFFAOYSA-N 0 0 222.244 2.239 50 0 BEAARN CCc1ccc(-c2nn3cnnc3s2)cc1 ZINC000020154188 342972596 /nfs/dbraw/zinc/97/25/96/342972596.db2.gz VTNOCLPKXULVIH-UHFFFAOYSA-N 0 0 230.296 2.415 50 0 BEAARN Nc1cc(NC(=O)[C@H]2CCCO2)ccc1Cl ZINC000020157160 342972886 /nfs/dbraw/zinc/97/28/86/342972886.db2.gz JQKCJILTKBDZSH-SNVBAGLBSA-N 0 0 240.690 2.040 50 0 BEAARN Nc1ccc2c(c1)NC(=O)[C@@H](c1ccccc1)O2 ZINC000019951703 342964172 /nfs/dbraw/zinc/96/41/72/342964172.db2.gz HJPDVYPUQVMOGQ-CYBMUJFWSA-N 0 0 240.262 2.341 50 0 BEAARN CC(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000020209503 342977293 /nfs/dbraw/zinc/97/72/93/342977293.db2.gz TYNBENCIDTUZFW-UHFFFAOYSA-N 0 0 220.272 2.419 50 0 BEAARN O=C1NCC1(c1ccccc1)c1ccccc1 ZINC000000501274 346910958 /nfs/dbraw/zinc/91/09/58/346910958.db2.gz GGDFKZZHBPIWRA-UHFFFAOYSA-N 0 0 223.275 2.103 50 0 BEAARN CCCc1ccc(-c2cc(N)n(CCO)n2)cc1 ZINC000020284702 342980765 /nfs/dbraw/zinc/98/07/65/342980765.db2.gz APLCAUAGRCHQRP-UHFFFAOYSA-N 0 0 245.326 2.077 50 0 BEAARN Nc1ccc(N2CCc3ccccc32)nc1 ZINC000020353386 342982686 /nfs/dbraw/zinc/98/26/86/342982686.db2.gz GWKGOYRTHAESJK-UHFFFAOYSA-N 0 0 211.268 2.358 50 0 BEAARN Cc1cc(Br)nc(C)c1N ZINC000020357589 342983185 /nfs/dbraw/zinc/98/31/85/342983185.db2.gz FLDDNTAAWZHAOT-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN COC(=O)[C@@H]1CC(=S)N(c2ccccc2)C1 ZINC000020358010 342983560 /nfs/dbraw/zinc/98/35/60/342983560.db2.gz UUSBHARQPISLSU-SECBINFHSA-N 0 0 235.308 2.013 50 0 BEAARN Nc1cnccc1OCc1ccccc1 ZINC000020370512 342984001 /nfs/dbraw/zinc/98/40/01/342984001.db2.gz WSMGCHYPHRQNEG-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN CC(C)(C)c1cc2[nH]c(=O)oc2c(N)c1 ZINC000041568848 342996039 /nfs/dbraw/zinc/99/60/39/342996039.db2.gz VOPUDFMUSKQOGI-UHFFFAOYSA-N 0 0 206.245 2.001 50 0 BEAARN CSCc1cccc(C(=O)N(C)C)c1 ZINC000012914208 346917469 /nfs/dbraw/zinc/91/74/69/346917469.db2.gz JCGJJVWHBUJFNC-UHFFFAOYSA-N 0 0 209.314 2.251 50 0 BEAARN COc1ccc(Nc2ncccn2)cc1OC ZINC000021643152 343016691 /nfs/dbraw/zinc/01/66/91/343016691.db2.gz RADONZFDHJOBTO-UHFFFAOYSA-N 0 0 231.255 2.237 50 0 BEAARN Cc1cccc(-c2c[nH]c3c2nc[nH]c3=O)c1 ZINC000021731066 343019312 /nfs/dbraw/zinc/01/93/12/343019312.db2.gz MUABZBOPCIWVHV-UHFFFAOYSA-N 0 0 225.251 2.227 50 0 BEAARN Nc1cnc(Br)c(Cl)c1 ZINC000021981886 343031643 /nfs/dbraw/zinc/03/16/43/343031643.db2.gz KGBNUDFDLHULJP-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN Cc1ccc(CNC(=O)NC(C)C)cc1 ZINC000012973119 346918421 /nfs/dbraw/zinc/91/84/21/346918421.db2.gz GDFGFLHZVIWRGS-UHFFFAOYSA-N 0 0 206.289 2.203 50 0 BEAARN O=C(c1ccccn1)N1CCc2ccccc21 ZINC000012861767 343067478 /nfs/dbraw/zinc/06/74/78/343067478.db2.gz NBDXKODRCDMRSW-UHFFFAOYSA-N 0 0 224.263 2.285 50 0 BEAARN C[NH+]1CCC(CNc2cccc(C(=O)[O-])c2)CC1 ZINC000054240613 343074029 /nfs/dbraw/zinc/07/40/29/343074029.db2.gz XVZUKBRBRZEYLK-UHFFFAOYSA-N 0 0 248.326 2.139 50 0 BEAARN CC(C)CCC(=O)N[C@H]1CCCc2c1cnn2C ZINC000024988322 343082856 /nfs/dbraw/zinc/08/28/56/343082856.db2.gz VSZTYVKOVWAZEX-LBPRGKRZSA-N 0 0 249.358 2.350 50 0 BEAARN Cc1ccc(CNC(=O)c2cccs2)n1C ZINC000025467138 343090697 /nfs/dbraw/zinc/09/06/97/343090697.db2.gz CQPSQFNQBODNKX-UHFFFAOYSA-N 0 0 234.324 2.325 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccccc1C[NH+](C)C ZINC000024809710 343077875 /nfs/dbraw/zinc/07/78/75/343077875.db2.gz JWAIKRXJJRYWQJ-JQWIXIFHSA-N 0 0 232.327 2.343 50 0 BEAARN CCCc1noc(CN(C)Cc2ccco2)n1 ZINC000042624993 362013345 /nfs/dbraw/zinc/01/33/45/362013345.db2.gz NDMIELWTIUJQLC-UHFFFAOYSA-N 0 0 235.287 2.247 50 0 BEAARN CC(C)(C)OC(=O)NCCn1cccc1 ZINC000026422559 343104932 /nfs/dbraw/zinc/10/49/32/343104932.db2.gz KWGROYBBFCGZMV-UHFFFAOYSA-N 0 0 210.277 2.013 50 0 BEAARN CONC(=O)Cc1c(Cl)cccc1Cl ZINC000025822999 343096176 /nfs/dbraw/zinc/09/61/76/343096176.db2.gz ABSDFMAODMVQOL-UHFFFAOYSA-N 0 0 234.082 2.214 50 0 BEAARN CCN(CC)C(=O)c1cc2ccccc2[nH]c1=O ZINC000032903717 343113219 /nfs/dbraw/zinc/11/32/19/343113219.db2.gz FTLXPRNFJYQDGS-UHFFFAOYSA-N 0 0 244.294 2.010 50 0 BEAARN CO[C@@H]1CCN(c2nc3ccccc3nc2C)C1 ZINC000170540827 136270302 /nfs/dbraw/zinc/27/03/02/136270302.db2.gz CINUGSCSOUWREN-LLVKDONJSA-N 0 0 243.310 2.163 50 0 BEAARN O=C(Nc1ccccc1)N(CCCO)C1CC1 ZINC000072289080 343147046 /nfs/dbraw/zinc/14/70/46/343147046.db2.gz SEFOQXWGCYLNJQ-UHFFFAOYSA-N 0 0 234.299 2.065 50 0 BEAARN CCOc1cccc(C(=O)Nc2nonc2C)c1 ZINC000027663014 343123331 /nfs/dbraw/zinc/12/33/31/343123331.db2.gz VQEFRZWBWPYTEH-UHFFFAOYSA-N 0 0 247.254 2.029 50 0 BEAARN CCc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000027906257 343125724 /nfs/dbraw/zinc/12/57/24/343125724.db2.gz HOXUNYYAZVMYEY-KOLCDFICSA-N 0 0 237.299 2.139 50 0 BEAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(N)=O ZINC000027989618 343125862 /nfs/dbraw/zinc/12/58/62/343125862.db2.gz LGLPSKCJXYYLMZ-UJURSFKZSA-N 0 0 208.088 2.063 50 0 BEAARN CC(C)CCC(=O)Nc1ncccc1O ZINC000028024498 343126536 /nfs/dbraw/zinc/12/65/36/343126536.db2.gz RPWVDTWYGNMXBZ-UHFFFAOYSA-N 0 0 208.261 2.162 50 0 BEAARN CC[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000028502566 343129636 /nfs/dbraw/zinc/12/96/36/343129636.db2.gz VFNDGNYTBJADNA-SNVBAGLBSA-N 0 0 248.326 2.373 50 0 BEAARN CC(C)c1noc2ncc(C(=O)N(C)C)cc21 ZINC000028619385 343130575 /nfs/dbraw/zinc/13/05/75/343130575.db2.gz WCLOXDRVJJCUFU-UHFFFAOYSA-N 0 0 233.271 2.048 50 0 BEAARN CC(C)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000029017351 343135104 /nfs/dbraw/zinc/13/51/04/343135104.db2.gz QMIDQOXOYUJGJE-UHFFFAOYSA-N 0 0 240.690 2.033 50 0 BEAARN COc1ccc([C@@H](O)c2ccncc2)cc1 ZINC000037464874 343144422 /nfs/dbraw/zinc/14/44/22/343144422.db2.gz QQOIKWVGANPALE-CYBMUJFWSA-N 0 0 215.252 2.172 50 0 BEAARN c1csc(-c2noc(Cn3ccnc3)n2)c1 ZINC000029594282 343144673 /nfs/dbraw/zinc/14/46/73/343144673.db2.gz RJBWDFQSAQZYDL-UHFFFAOYSA-N 0 0 232.268 2.043 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C)C12CCC2 ZINC000247226699 343222423 /nfs/dbraw/zinc/22/24/23/343222423.db2.gz CVVAMTQYUTUXCD-NOOOWODRSA-N 0 0 237.343 2.106 50 0 BEAARN Nc1ccc(F)c(F)c1Br ZINC000031829582 343225581 /nfs/dbraw/zinc/22/55/81/343225581.db2.gz ZGZURPPCPVPDMX-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN CCCc1cc(=O)c2ccc(OC)cc2[nH]1 ZINC000032099911 343229609 /nfs/dbraw/zinc/22/96/09/343229609.db2.gz ICTVIROHKNNYDF-UHFFFAOYSA-N 0 0 217.268 2.489 50 0 BEAARN Nc1cc(C(=O)N2CCCCCC2)ccc1F ZINC000033465709 343254700 /nfs/dbraw/zinc/25/47/00/343254700.db2.gz JRCCTRHIKJPSCW-UHFFFAOYSA-N 0 0 236.290 2.424 50 0 BEAARN COC(=O)COc1ccc2ccccc2c1C=O ZINC000032500966 343236657 /nfs/dbraw/zinc/23/66/57/343236657.db2.gz NTWWJEFLSLTBJV-UHFFFAOYSA-N 0 0 244.246 2.204 50 0 BEAARN CC(C)(C)OC(=O)NC1CC2(CC(=O)C2)C1 ZINC000032629371 343239249 /nfs/dbraw/zinc/23/92/49/343239249.db2.gz HQXCHIODIJRHAT-UHFFFAOYSA-N 0 0 225.288 2.023 50 0 BEAARN O=C1N[C@H](c2ccc(Cl)o2)Nc2ncccc21 ZINC000072302525 343241616 /nfs/dbraw/zinc/24/16/16/343241616.db2.gz JKDFJYULBDXWAL-SNVBAGLBSA-N 0 0 249.657 2.182 50 0 BEAARN CC[C@H]1CCCCN1C(=O)[C@H](C)n1cccn1 ZINC000032765524 343242034 /nfs/dbraw/zinc/24/20/34/343242034.db2.gz HCKLXEZRWMDWCU-RYUDHWBXSA-N 0 0 235.331 2.235 50 0 BEAARN CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC1CC1 ZINC000072302926 343242354 /nfs/dbraw/zinc/24/23/54/343242354.db2.gz LAARUEAVPOZANF-UWVGGRQHSA-N 0 0 210.321 2.225 50 0 BEAARN Cc1ccoc1C(=O)N1CCC(C)CC1 ZINC000032843940 343243190 /nfs/dbraw/zinc/24/31/90/343243190.db2.gz WENSPKBNIHZYFG-UHFFFAOYSA-N 0 0 207.273 2.460 50 0 BEAARN Cc1ccc(Cl)c(OCC(=O)N(C)C)c1 ZINC000032911046 343244113 /nfs/dbraw/zinc/24/41/13/343244113.db2.gz SFEAGPRHRDNVCN-UHFFFAOYSA-N 0 0 227.691 2.115 50 0 BEAARN O=C(NC[C@@H]1CCC[C@@H]1O)Nc1cccs1 ZINC000072304775 343244468 /nfs/dbraw/zinc/24/44/68/343244468.db2.gz UWPICSKCXNDEAQ-IUCAKERBSA-N 0 0 240.328 2.031 50 0 BEAARN C[C@@H](C[C@H]([NH3+])CC(=O)[O-])CC(C)(C)C ZINC000032919347 343244669 /nfs/dbraw/zinc/24/46/69/343244669.db2.gz SPLJOHIHQABPRC-IUCAKERBSA-N 0 0 201.310 2.251 50 0 BEAARN O=S(=O)(c1cccc(F)c1)N1CCCCC1 ZINC000033047865 343247544 /nfs/dbraw/zinc/24/75/44/343247544.db2.gz UXXGDYWRASWFES-UHFFFAOYSA-N 0 0 243.303 2.000 50 0 BEAARN Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000034109500 343264504 /nfs/dbraw/zinc/26/45/04/343264504.db2.gz LCLWEOIMXMEDKX-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN O=[S@@](c1ccc(F)cc1)C(F)(F)F ZINC000034109401 343264712 /nfs/dbraw/zinc/26/47/12/343264712.db2.gz ZJEHPWYIWGABEA-CYBMUJFWSA-N 0 0 212.167 2.453 50 0 BEAARN COC(=O)C[C@@H]1CCc2cc(OC)ccc2C1=O ZINC000034192185 343266053 /nfs/dbraw/zinc/26/60/53/343266053.db2.gz MTMJCLLEFXNRIV-JTQLQIEISA-N 0 0 248.278 2.003 50 0 BEAARN COC(=O)c1nccc(Cl)c1Cl ZINC000034451539 343271190 /nfs/dbraw/zinc/27/11/90/343271190.db2.gz OGUMBVLSKXWEKV-UHFFFAOYSA-N 0 0 206.028 2.175 50 0 BEAARN O=C(c1ccc2ccccc2c1)N1CC[C@@H](O)C1 ZINC000034458204 343271730 /nfs/dbraw/zinc/27/17/30/343271730.db2.gz JMHCOFQIZVBMIV-CQSZACIVSA-N 0 0 241.290 2.047 50 0 BEAARN O=C1NC(=O)[C@@H](c2ccccc2Cl)S1 ZINC000022341667 343272297 /nfs/dbraw/zinc/27/22/97/343272297.db2.gz PTLBFRAQLGBUHZ-SSDOTTSWSA-N 0 0 227.672 2.364 50 0 BEAARN CCOC[P@](=O)(/C=C/N(C)C)OCC ZINC000004481509 343273600 /nfs/dbraw/zinc/27/36/00/343273600.db2.gz RSEPDTHLSKPNSR-NPQIQWPPSA-N 0 0 221.237 2.328 50 0 BEAARN Cc1noc2nc(C)cc(C(=O)NCC(C)C)c12 ZINC000048421921 343278163 /nfs/dbraw/zinc/27/81/63/343278163.db2.gz IATQVYRNLHFEIK-UHFFFAOYSA-N 0 0 247.298 2.225 50 0 BEAARN Cc1onc(C(=O)[O-])c1C[N@H+]1CCCC[C@H]1C ZINC000034925036 343280253 /nfs/dbraw/zinc/28/02/53/343280253.db2.gz ITJDMLJWFHXKLU-MRVPVSSYSA-N 0 0 238.287 2.056 50 0 BEAARN Fc1cc(F)cc(C2N=NC(=S)N2)c1 ZINC000034977893 343282440 /nfs/dbraw/zinc/28/24/40/343282440.db2.gz YZMMFUSWTTWUSF-UHFFFAOYSA-N 0 0 213.212 2.039 50 0 BEAARN O=C([C@H]1Cc2ccccc2O1)N1CCCCCC1 ZINC000036393271 343317927 /nfs/dbraw/zinc/31/79/27/343317927.db2.gz NLNWDJASSDAIMX-CQSZACIVSA-N 0 0 245.322 2.393 50 0 BEAARN COC(=O)CC(=O)Cc1ccccc1Cl ZINC000036532659 343320123 /nfs/dbraw/zinc/32/01/23/343320123.db2.gz DQXLTHCGTUMQSA-UHFFFAOYSA-N 0 0 226.659 2.015 50 0 BEAARN COc1ccc(Cn2ccnc2)cc1F ZINC000040023612 343320559 /nfs/dbraw/zinc/32/05/59/343320559.db2.gz YMAGYSDUSJAFHT-UHFFFAOYSA-N 0 0 206.220 2.079 50 0 BEAARN Cc1ccc2c(c1)nc(-c1csnn1)n2C ZINC000048526562 343321505 /nfs/dbraw/zinc/32/15/05/343321505.db2.gz TWKQOOKJEJITAO-UHFFFAOYSA-N 0 0 230.296 2.400 50 0 BEAARN Clc1nc(Cl)c2ncccc2n1 ZINC000035269975 343291575 /nfs/dbraw/zinc/29/15/75/343291575.db2.gz UVVFNZJVLRJSMW-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN Cc1cnccc1C(=O)N[C@H](C)C(C)(F)F ZINC000334635696 136292799 /nfs/dbraw/zinc/29/27/99/136292799.db2.gz VADMSZRFSYUVOH-MRVPVSSYSA-N 0 0 228.242 2.164 50 0 BEAARN CCCc1nc(-c2ccc(N)cc2)no1 ZINC000035696875 343302483 /nfs/dbraw/zinc/30/24/83/343302483.db2.gz SGWSNXRAUNOMAW-UHFFFAOYSA-N 0 0 203.245 2.271 50 0 BEAARN CCc1cnc(NCc2cnn(C)c2)s1 ZINC000134993932 343366001 /nfs/dbraw/zinc/36/60/01/343366001.db2.gz OPYTZAPUQPTDGW-UHFFFAOYSA-N 0 0 222.317 2.051 50 0 BEAARN COP(=O)(OC)[C@H]1OC(=O)c2ccccc21 ZINC000038272691 343373279 /nfs/dbraw/zinc/37/32/79/343373279.db2.gz KEKUNQAVGWOYDW-SNVBAGLBSA-N 0 0 242.167 2.342 50 0 BEAARN Cc1cc2nccn2c(Br)c1 ZINC000038313076 343373859 /nfs/dbraw/zinc/37/38/59/343373859.db2.gz SZHBHTDASBBWFA-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN COc1c(CO)cccc1C(F)(F)F ZINC000038529843 343376114 /nfs/dbraw/zinc/37/61/14/343376114.db2.gz AEJHNFSKLDVXOW-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN COc1c(N)cc(F)cc1Br ZINC000037250562 343341274 /nfs/dbraw/zinc/34/12/74/343341274.db2.gz WVYZKRWBOQSQDA-UHFFFAOYSA-N 0 0 220.041 2.179 50 0 BEAARN Nc1c2cccnc2ccc1N1CCCC1 ZINC000037377284 343343848 /nfs/dbraw/zinc/34/38/48/343343848.db2.gz SIZOWSNMBFVMSZ-UHFFFAOYSA-N 0 0 213.284 2.417 50 0 BEAARN O=C(C[C@H]1CCOC1)Nc1ccccc1F ZINC000335673961 136317928 /nfs/dbraw/zinc/31/79/28/136317928.db2.gz JORJZHCCUJMASA-SECBINFHSA-N 0 0 223.247 2.191 50 0 BEAARN CSC[C@H](C)NC(=O)OC(C)(C)C ZINC000039093321 343382048 /nfs/dbraw/zinc/38/20/48/343382048.db2.gz LRSLSAJGUOCYDQ-ZETCQYMHSA-N 0 0 205.323 2.263 50 0 BEAARN NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000335687402 136323776 /nfs/dbraw/zinc/32/37/76/136323776.db2.gz BTCQNDAJZWDURL-RNFRBKRXSA-N 0 0 224.226 2.023 50 0 BEAARN Nc1coc2ccc(Br)cc2c1=O ZINC000039276817 343387899 /nfs/dbraw/zinc/38/78/99/343387899.db2.gz JXUXFZBWWFETRG-UHFFFAOYSA-N 0 0 240.056 2.138 50 0 BEAARN O=C1C=C(c2csc(C(F)(F)F)c2)NNC1 ZINC000039296671 343388373 /nfs/dbraw/zinc/38/83/73/343388373.db2.gz AIPIOUJGAKBYEU-UHFFFAOYSA-N 0 0 248.229 2.033 50 0 BEAARN NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000335687403 136323907 /nfs/dbraw/zinc/32/39/07/136323907.db2.gz BTCQNDAJZWDURL-RQJHMYQMSA-N 0 0 224.226 2.023 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(=O)CC1(C)C ZINC000039366314 343389449 /nfs/dbraw/zinc/38/94/49/343389449.db2.gz DFWLCLMWDGTEHR-UHFFFAOYSA-N 0 0 227.304 2.365 50 0 BEAARN COC(=O)c1ncoc1-c1ccccc1 ZINC000039474811 343389687 /nfs/dbraw/zinc/38/96/87/343389687.db2.gz IYJYICUPWFYIDA-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN Cc1cc(Br)c[nH]c1=S ZINC000040384076 343401316 /nfs/dbraw/zinc/40/13/16/343401316.db2.gz SKJWMXRZKKGWRQ-UHFFFAOYSA-N 0 0 204.092 2.441 50 0 BEAARN CON(C)C(=O)c1cc(Cl)ccc1F ZINC000040419508 343402566 /nfs/dbraw/zinc/40/25/66/343402566.db2.gz HNNUNXQEHOYFAH-UHFFFAOYSA-N 0 0 217.627 2.113 50 0 BEAARN Cc1cccn2cc(C(=O)N3CCCCC3)nc12 ZINC000097939094 343409215 /nfs/dbraw/zinc/40/92/15/343409215.db2.gz JJJFKUPXYLHHOL-UHFFFAOYSA-N 0 0 243.310 2.269 50 0 BEAARN Cc1cccn2cc(C(=O)NCCC(C)C)nc12 ZINC000097939081 343409508 /nfs/dbraw/zinc/40/95/08/343409508.db2.gz YAEOJCCCNVMWKJ-UHFFFAOYSA-N 0 0 245.326 2.419 50 0 BEAARN O=C(NC1CCC(F)(F)CC1)c1cccnc1 ZINC000335714013 136338101 /nfs/dbraw/zinc/33/81/01/136338101.db2.gz ZPGGZAIYEUBBQO-UHFFFAOYSA-N 0 0 240.253 2.389 50 0 BEAARN CCc1nc(-c2ccc(C(=O)OC)cc2)no1 ZINC000042684345 343447637 /nfs/dbraw/zinc/44/76/37/343447637.db2.gz QOGXGTZPJKLMBR-UHFFFAOYSA-N 0 0 232.239 2.086 50 0 BEAARN CN(CC1CCOCC1)c1ccccc1N ZINC000042783198 343452905 /nfs/dbraw/zinc/45/29/05/343452905.db2.gz LLAWRHYEOFIFTB-UHFFFAOYSA-N 0 0 220.316 2.132 50 0 BEAARN O=C(c1cccc(C2OCCO2)c1)C1CC1 ZINC000043212600 343465957 /nfs/dbraw/zinc/46/59/57/343465957.db2.gz FGOZIZUKMHNYOX-UHFFFAOYSA-N 0 0 218.252 2.325 50 0 BEAARN Nc1nccc(-c2cccc(Cl)c2)n1 ZINC000044713505 343512567 /nfs/dbraw/zinc/51/25/67/343512567.db2.gz VKXBPDWBNXTLPW-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 in-vitro BEAARN CC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000045413598 343529341 /nfs/dbraw/zinc/52/93/41/343529341.db2.gz IXFZLYSYBAKRAK-UHFFFAOYSA-N 0 0 225.238 2.476 50 0 BEAARN O=C(OCC(F)(F)F)N1CCCCC1 ZINC000047843910 343566384 /nfs/dbraw/zinc/56/63/84/343566384.db2.gz VWSSKHWULVBDEU-UHFFFAOYSA-N 0 0 211.183 2.171 50 0 BEAARN O=c1cc(N2CCCC2)c(-c2ccccc2)n[nH]1 ZINC000013597027 343584246 /nfs/dbraw/zinc/58/42/46/343584246.db2.gz QQLIGFIRYSYSTI-UHFFFAOYSA-N 0 0 241.294 2.037 50 0 BEAARN CC(C)(C)NC(=O)COc1ccccc1F ZINC000049535051 343601164 /nfs/dbraw/zinc/60/11/64/343601164.db2.gz NJTDDSYPTQXPPA-UHFFFAOYSA-N 0 0 225.263 2.119 50 0 BEAARN CCN(c1ccc(C(=O)NOC)cc1)C(C)C ZINC000058298574 343699382 /nfs/dbraw/zinc/69/93/82/343699382.db2.gz ZHRFHYOIKSMZKZ-UHFFFAOYSA-N 0 0 236.315 2.213 50 0 BEAARN C[C@@H](CNC(=O)C1CC1)c1ccccc1 ZINC000043700778 343708602 /nfs/dbraw/zinc/70/86/02/343708602.db2.gz KIBRBVAOFNZNIH-JTQLQIEISA-N 0 0 203.285 2.316 50 0 BEAARN O=c1c(Cl)nsnc1Nc1ccccc1 ZINC000000520013 346963743 /nfs/dbraw/zinc/96/37/43/346963743.db2.gz JBYYPDOSVLSGJT-UHFFFAOYSA-N 0 0 239.687 2.295 50 0 BEAARN CON(C)C(=O)c1cc2ccccc2o1 ZINC000048341284 343782125 /nfs/dbraw/zinc/78/21/25/343782125.db2.gz HZBLAOKKWJOABJ-UHFFFAOYSA-N 0 0 205.213 2.066 50 0 BEAARN CSc1ncc(C=O)c(NC2CCCC2)n1 ZINC000020385096 537833770 /nfs/dbraw/zinc/83/37/70/537833770.db2.gz QKRVSWPBAOCWHY-UHFFFAOYSA-N 0 0 237.328 2.366 50 0 BEAARN CC1=CCN(C(=O)[C@H](C)CC(F)F)CC1 ZINC000334574296 343893794 /nfs/dbraw/zinc/89/37/94/343893794.db2.gz ARXOFPDVLJDKMR-SECBINFHSA-N 0 0 217.259 2.456 50 0 BEAARN CC1=C[C@@H](C)CN(C(=O)CC(C)(F)F)C1 ZINC000334597292 343894418 /nfs/dbraw/zinc/89/44/18/343894418.db2.gz QYEAIMGWHWXUJC-MRVPVSSYSA-N 0 0 217.259 2.456 50 0 BEAARN Nc1noc2cccc(OCC3CC3)c12 ZINC000040449388 343943284 /nfs/dbraw/zinc/94/32/84/343943284.db2.gz ZYRQIHGJLKHVDB-UHFFFAOYSA-N 0 0 204.229 2.199 50 0 BEAARN Cc1nonc1NC(=O)OCc1ccccc1 ZINC000000040363 344062398 /nfs/dbraw/zinc/06/23/98/344062398.db2.gz BUCFPEPEOMXHDD-UHFFFAOYSA-N 0 0 233.227 2.127 50 0 BEAARN Cc1ccc(C[NH2+][C@H](C(=O)[O-])C(C)C)cc1 ZINC000019787740 178627717 /nfs/dbraw/zinc/62/77/17/178627717.db2.gz XWDMATYLELXQKK-LBPRGKRZSA-N 0 0 221.300 2.194 50 0 BEAARN COC(=O)[C@H](CC(C)=O)c1c[nH]c2ccccc21 ZINC000000050873 344100317 /nfs/dbraw/zinc/10/03/17/344100317.db2.gz KNAGWGRXAMMVKN-LLVKDONJSA-N 0 0 245.278 2.404 50 0 biogenic BEAARN C[C@]12CC3([NH3+])CC(C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000000053642 344101635 /nfs/dbraw/zinc/10/16/35/344101635.db2.gz VGTIAGCVYBEACG-MPEURRAXSA-N 0 0 223.316 2.149 50 0 BEAARN CCCCNC(=O)[C@H](C)N1CCC=C(Cl)C1 ZINC000585141453 344173147 /nfs/dbraw/zinc/17/31/47/344173147.db2.gz WBUKZECVGRBZDW-JTQLQIEISA-N 0 0 244.766 2.120 50 0 BEAARN CC(C)N(C(=O)c1ccco1)c1cnn(C)c1 ZINC000058406248 344123250 /nfs/dbraw/zinc/12/32/50/344123250.db2.gz JUQIMPYGPNCIJY-UHFFFAOYSA-N 0 0 233.271 2.068 50 0 BEAARN CCC1=NC(=S)N[C@@H](c2ccccc2)C1 ZINC000000060951 344129811 /nfs/dbraw/zinc/12/98/11/344129811.db2.gz ARQAZXZMOHLMOZ-LLVKDONJSA-N 0 0 218.325 2.499 50 0 BEAARN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc[nH]1 ZINC000067858889 349905249 /nfs/dbraw/zinc/90/52/49/349905249.db2.gz VBZGPUQHIIQSRV-DGCLKSJQSA-N 0 0 226.279 2.301 50 0 BEAARN Cc1ccc(CS(=O)(=O)NC(C)(C)C)cc1 ZINC000016579015 178643697 /nfs/dbraw/zinc/64/36/97/178643697.db2.gz NSXDPZVAXAWZHM-UHFFFAOYSA-N 0 0 241.356 2.213 50 0 BEAARN COC(=O)C12CCC(C(=O)OC)(CC1)CCC2 ZINC000141845413 344326281 /nfs/dbraw/zinc/32/62/81/344326281.db2.gz BCWFWKSMCATFDC-UHFFFAOYSA-N 0 0 240.299 2.063 50 0 BEAARN Cc1nccc(C(=O)N(C2CC2)C2CCCC2)n1 ZINC000084290674 344416939 /nfs/dbraw/zinc/41/69/39/344416939.db2.gz GWIWFIWYYOTJEQ-UHFFFAOYSA-N 0 0 245.326 2.332 50 0 BEAARN C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H]2O)CC(C)(C)C1 ZINC000425050342 192071999 /nfs/dbraw/zinc/07/19/99/192071999.db2.gz NQSXMJSMRBSUIJ-IRCOFANPSA-N 0 0 239.359 2.088 50 0 BEAARN COc1cc(/C=C2/N=C(C)OC2=O)cc(OC)c1 ZINC000000102444 344485609 /nfs/dbraw/zinc/48/56/09/344485609.db2.gz RVBXMTLYWMJFHD-WUXMJOGZSA-N 0 0 247.250 2.020 50 0 BEAARN COC(=O)CCCCC(=O)c1ccccc1N ZINC000003141239 344491628 /nfs/dbraw/zinc/49/16/28/344491628.db2.gz AYEKQYHEWNWODA-UHFFFAOYSA-N 0 0 235.283 2.185 50 0 BEAARN COC(=O)Nc1ccc(C)c(NC(=O)OC)c1 ZINC000000188136 344610930 /nfs/dbraw/zinc/61/09/30/344610930.db2.gz CNPWIVIIZHULCN-UHFFFAOYSA-N 0 0 238.243 2.352 50 0 biogenic,in-vitro BEAARN Clc1cccc(OCCn2cncn2)c1 ZINC000000236026 344653438 /nfs/dbraw/zinc/65/34/38/344653438.db2.gz BOFNQLMTFTZKDF-UHFFFAOYSA-N 0 0 223.663 2.011 50 0 BEAARN CC(C)([NH2+]Cc1ccccc1Cl)C(=O)[O-] ZINC000000266646 344669540 /nfs/dbraw/zinc/66/95/40/344669540.db2.gz BHRDYWRPNNMOLL-UHFFFAOYSA-N 0 0 227.691 2.293 50 0 BEAARN Cc1cc(-c2ccnc3ncnn32)c(C)s1 ZINC000004038043 347064457 /nfs/dbraw/zinc/06/44/57/347064457.db2.gz AGJYDKYUYVLURT-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN Cc1ccc(N)cc1NC(=O)c1cccnc1 ZINC000000873958 178708218 /nfs/dbraw/zinc/70/82/18/178708218.db2.gz PAWHELOVFBZCPG-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN CC(C)Oc1ccccc1-c1cnn(CCO)c1 ZINC000426515491 344752438 /nfs/dbraw/zinc/75/24/38/344752438.db2.gz GVHVPJOZVJUKHU-UHFFFAOYSA-N 0 0 246.310 2.330 50 0 BEAARN Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1C ZINC000001466458 178744510 /nfs/dbraw/zinc/74/45/10/178744510.db2.gz JDYUWJKBFSHZSD-LBPRGKRZSA-N 0 0 219.284 2.421 50 0 BEAARN Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1F ZINC000013012540 178753324 /nfs/dbraw/zinc/75/33/24/178753324.db2.gz CUGDGPRVCBMCBW-UHFFFAOYSA-N 0 0 246.241 2.075 50 0 BEAARN Cc1noc(C)c1CCCNc1ccc(C)nn1 ZINC000032598193 178758786 /nfs/dbraw/zinc/75/87/86/178758786.db2.gz JWUPGXQKQOPAFL-UHFFFAOYSA-N 0 0 246.314 2.435 50 0 BEAARN Cc1ccc(N[C@@H]2C[C@H](C)NC(=S)N2)cc1 ZINC000013686452 178773876 /nfs/dbraw/zinc/77/38/76/178773876.db2.gz DTYOZCJJILFVHX-ONGXEEELSA-N 0 0 235.356 2.401 50 0 BEAARN COc1ccnc(C(F)(F)F)c1OC ZINC000144417943 344901974 /nfs/dbraw/zinc/90/19/74/344901974.db2.gz JVUSURQEVGGTIU-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN O=[S@@](c1ccccc1)c1cccnc1 ZINC000033725472 344921159 /nfs/dbraw/zinc/92/11/59/344921159.db2.gz RTVYDDWRXGSJPU-CQSZACIVSA-N 0 0 203.266 2.248 50 0 BEAARN O=[S@](c1ccccc1)c1cccnc1 ZINC000033725471 344921356 /nfs/dbraw/zinc/92/13/56/344921356.db2.gz RTVYDDWRXGSJPU-AWEZNQCLSA-N 0 0 203.266 2.248 50 0 BEAARN CCCn1c(C)cnc1C1CN(C(=O)C(C)C)C1 ZINC000409419948 344966834 /nfs/dbraw/zinc/96/68/34/344966834.db2.gz IVUGVBOXZCOBAE-UHFFFAOYSA-N 0 0 249.358 2.183 50 0 BEAARN COC(=O)c1ccnc(F)c1C(F)(F)F ZINC000238323512 345020918 /nfs/dbraw/zinc/02/09/18/345020918.db2.gz CBUQWHVSKNKDNI-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN COC(=O)c1cc(C(F)(F)F)cnc1F ZINC000238343472 345027735 /nfs/dbraw/zinc/02/77/35/345027735.db2.gz VMNWBVWKZVTOBP-UHFFFAOYSA-N 0 0 223.125 2.026 50 0 BEAARN COc1cc(OC)c(C(F)(F)F)cn1 ZINC000238403432 345042029 /nfs/dbraw/zinc/04/20/29/345042029.db2.gz QJBOHLDEDWMBDV-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN COc1ccccc1OC(=O)C1CCC(=O)CC1 ZINC000073405974 345080518 /nfs/dbraw/zinc/08/05/18/345080518.db2.gz ZDOLWNLHIARCMC-UHFFFAOYSA-N 0 0 248.278 2.360 50 0 BEAARN COC(C[N@@H+]1Cc2ccccc2C[C@H]1C)OC ZINC000189047134 345259955 /nfs/dbraw/zinc/25/99/55/345259955.db2.gz WMOUYRIFBVZTHV-LLVKDONJSA-N 0 0 235.327 2.052 50 0 BEAARN CCC(C)(C)[C@H](O)C(=O)Nc1ccccc1O ZINC000635401308 345344990 /nfs/dbraw/zinc/34/49/90/345344990.db2.gz JXKYXDBMVDRSJS-LLVKDONJSA-N 0 0 237.299 2.128 50 0 BEAARN O=C1CCCc2c1nc(-c1ccc(F)cc1)n2O ZINC000000209750 345602735 /nfs/dbraw/zinc/60/27/35/345602735.db2.gz MCFLFEAFWPYCGR-UHFFFAOYSA-N 0 0 246.241 2.446 50 0 BEAARN C[C@H](NC(=O)c1ccco1)c1cncc(F)c1 ZINC000095465096 345685819 /nfs/dbraw/zinc/68/58/19/345685819.db2.gz JFSZYXOSIJRQIT-QMMMGPOBSA-N 0 0 234.230 2.305 50 0 BEAARN c1ccc(CNc2nnc3ccccn32)cc1 ZINC000095464189 345686343 /nfs/dbraw/zinc/68/63/43/345686343.db2.gz MQHZNELAIOSCII-UHFFFAOYSA-N 0 0 224.267 2.341 50 0 BEAARN C[C@@H]1OCC[C@H]1Sc1ncc(Cl)cn1 ZINC000095973770 345686696 /nfs/dbraw/zinc/68/66/96/345686696.db2.gz BFUGTWSLJOARCO-POYBYMJQSA-N 0 0 230.720 2.400 50 0 BEAARN CCc1ncnc(SC2CCOCC2)c1F ZINC000095981624 345687006 /nfs/dbraw/zinc/68/70/06/345687006.db2.gz NFTBLRGYJNJAHA-UHFFFAOYSA-N 0 0 242.319 2.449 50 0 BEAARN C[C@H]1CCCN(C(=O)C2=CCCCO2)CC1 ZINC000073120811 537907022 /nfs/dbraw/zinc/90/70/22/537907022.db2.gz HZPVFSDYLAEMCU-NSHDSACASA-N 0 0 223.316 2.329 50 0 BEAARN CCCn1ccnc1CN(C)Cc1cc(C)no1 ZINC000215865786 349938094 /nfs/dbraw/zinc/93/80/94/349938094.db2.gz HQTKIAOCLJSTCZ-UHFFFAOYSA-N 0 0 248.330 2.222 50 0 BEAARN COC(=O)/C=C/c1ccc2cc[nH]c2c1 ZINC000034129810 345817948 /nfs/dbraw/zinc/81/79/48/345817948.db2.gz LYUUAYGWFYONQK-HWKANZROSA-N 0 0 201.225 2.354 50 0 BEAARN Cc1ccc(N2C(=O)[C@H]3CCCN3C2=S)cc1 ZINC000000217514 345760751 /nfs/dbraw/zinc/76/07/51/345760751.db2.gz CAJVJVBMUUICPN-LLVKDONJSA-N 0 0 246.335 2.091 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1sc(C)nc1C ZINC000190724036 345985719 /nfs/dbraw/zinc/98/57/19/345985719.db2.gz YCTBCNLNEUABBU-SSDOTTSWSA-N 0 0 243.328 2.342 50 0 BEAARN CCOC[C@@H](C)OC(=O)c1cccc(F)c1 ZINC000190731033 345986010 /nfs/dbraw/zinc/98/60/10/345986010.db2.gz PEENUBPVOIGVFX-SECBINFHSA-N 0 0 226.247 2.408 50 0 BEAARN C[C@@H](CCO)Nc1nccc(C2CCCC2)n1 ZINC000071416162 537948362 /nfs/dbraw/zinc/94/83/62/537948362.db2.gz LHVVMUYSWBEAPV-JTQLQIEISA-N 0 0 235.331 2.317 50 0 BEAARN COc1cccc(CCCOc2cnn(C)c2)c1 ZINC000193525409 346168685 /nfs/dbraw/zinc/16/86/85/346168685.db2.gz GONMUJOOBFFWJH-UHFFFAOYSA-N 0 0 246.310 2.440 50 0 BEAARN COc1ncccc1NC(=O)[C@H](C)n1cccc1 ZINC000136388273 346206720 /nfs/dbraw/zinc/20/67/20/346206720.db2.gz JQQVFJNSBUYNSK-JTQLQIEISA-N 0 0 245.282 2.091 50 0 BEAARN c1nc2ccccn2c1COc1cccnc1 ZINC000005387767 346207731 /nfs/dbraw/zinc/20/77/31/346207731.db2.gz XFBDRFYSSJCSAJ-UHFFFAOYSA-N 0 0 225.251 2.308 50 0 BEAARN CCCC(=O)NC(=S)Nc1ccccc1 ZINC000005421747 346218714 /nfs/dbraw/zinc/21/87/14/346218714.db2.gz FBNNFJLJINLWLJ-UHFFFAOYSA-N 0 0 222.313 2.300 50 0 BEAARN COC(=O)C1=C2CCCC[C@@]2(C)CCC1=O ZINC000004182994 346244761 /nfs/dbraw/zinc/24/47/61/346244761.db2.gz GTOXZWSKDRODCR-ZDUSSCGKSA-N 0 0 222.284 2.399 50 0 BEAARN CC(C)c1nccn1Cc1ccc(Cl)nn1 ZINC000167417580 346246264 /nfs/dbraw/zinc/24/62/64/346246264.db2.gz ZEBYBNLWTMMRMQ-UHFFFAOYSA-N 0 0 236.706 2.498 50 0 BEAARN Cc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000005547943 179013957 /nfs/dbraw/zinc/01/39/57/179013957.db2.gz CRTSCPLAEBMXEI-TXEJJXNPSA-N 0 0 233.311 2.244 50 0 BEAARN Cc1cccc(C(=O)NC(=S)NC(C)C)c1 ZINC000002136253 179013959 /nfs/dbraw/zinc/01/39/59/179013959.db2.gz ZOZLUIOFHNJDGN-UHFFFAOYSA-N 0 0 236.340 2.008 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000016604679 179023461 /nfs/dbraw/zinc/02/34/61/179023461.db2.gz ISDUWWXJUQDUEQ-DGCLKSJQSA-N 0 0 233.311 2.292 50 0 BEAARN Cc1csc(CNC(=O)c2cccc(C)n2)n1 ZINC000029885734 179019418 /nfs/dbraw/zinc/01/94/18/179019418.db2.gz NRKAHRVPKAQLQU-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cc1cccc(C(=O)NCc2cccc(O)c2)n1 ZINC000038032096 179019611 /nfs/dbraw/zinc/01/96/11/179019611.db2.gz OZIBWPIXFIKZLT-UHFFFAOYSA-N 0 0 242.278 2.026 50 0 BEAARN Cc1cccc(C(=O)NOCc2ccccc2)n1 ZINC000025286789 179019667 /nfs/dbraw/zinc/01/96/67/179019667.db2.gz DPDUKAKBKHZBQZ-UHFFFAOYSA-N 0 0 242.278 2.252 50 0 BEAARN Cc1cccc(C(=O)NCc2cccnc2)c1 ZINC000000299418 179020269 /nfs/dbraw/zinc/02/02/69/179020269.db2.gz XIHBDFHHWZPCBG-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN Cc1cccc(C(=O)N[C@@H](C)Cc2ccco2)n1 ZINC000033209410 179021814 /nfs/dbraw/zinc/02/18/14/179021814.db2.gz KATVJXMYPROLEC-NSHDSACASA-N 0 0 244.294 2.344 50 0 BEAARN CCCCS[C@@H]1C[C@H](C)NC(=S)N1 ZINC000002588197 346280418 /nfs/dbraw/zinc/28/04/18/346280418.db2.gz BLQUFVLATCMVGG-JGVFFNPUSA-N 0 0 218.391 2.102 50 0 BEAARN Cc1cccc(C(=S)N2CCOCC2)c1 ZINC000000610343 179027080 /nfs/dbraw/zinc/02/70/80/179027080.db2.gz VSDJBWDMIAAFBM-UHFFFAOYSA-N 0 0 221.325 2.003 50 0 BEAARN Cc1ccc(F)cc1C(=O)O[C@@H]1CCOC1 ZINC000078612241 537968316 /nfs/dbraw/zinc/96/83/16/537968316.db2.gz VYPSIJAMNFYWCA-SNVBAGLBSA-N 0 0 224.231 2.080 50 0 BEAARN Cc1cccc(CC(=O)NCc2ccncc2)c1 ZINC000074825330 179053381 /nfs/dbraw/zinc/05/33/81/179053381.db2.gz WNWAHAUNVOOOOY-UHFFFAOYSA-N 0 0 240.306 2.249 50 0 BEAARN CC[C@H]1CCc2c(sc3[nH]cnc(=O)c23)C1 ZINC000000091818 346403870 /nfs/dbraw/zinc/40/38/70/346403870.db2.gz IISIDSUPTWCTIJ-ZETCQYMHSA-N 0 0 234.324 2.500 50 0 BEAARN Cc1occc1C(=O)n1nnc2ccccc21 ZINC000000476593 346392195 /nfs/dbraw/zinc/39/21/95/346392195.db2.gz DTUKMQFBFZXVKB-UHFFFAOYSA-N 0 0 227.223 2.021 50 0 BEAARN O=C(Nc1ccc2nccnc2c1)N1CCCC1 ZINC000000303131 346411436 /nfs/dbraw/zinc/41/14/36/346411436.db2.gz IDRQFGXWRHWATL-UHFFFAOYSA-N 0 0 242.282 2.258 50 0 BEAARN CSCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000003311601 346563532 /nfs/dbraw/zinc/56/35/32/346563532.db2.gz WCCPIOHQLXWABJ-UHFFFAOYSA-N 0 0 240.353 2.464 50 0 BEAARN CC(=O)c1cc(C(=O)N2CCC[C@H](C)C2)n(C)c1 ZINC000053495073 346540302 /nfs/dbraw/zinc/54/03/02/346540302.db2.gz XOXCYXXGSKWMJQ-JTQLQIEISA-N 0 0 248.326 2.100 50 0 BEAARN Cc1cccc(N(C)Cc2cnnn2C)c1C ZINC000097166085 179117240 /nfs/dbraw/zinc/11/72/40/179117240.db2.gz SFOIVZXUNANESH-UHFFFAOYSA-N 0 0 230.315 2.068 50 0 BEAARN Cc1cccc(Cn2nnnc2C(C)(C)C)c1 ZINC000072001971 179108881 /nfs/dbraw/zinc/10/88/81/179108881.db2.gz DRJCDBPMVQBIPM-UHFFFAOYSA-N 0 0 230.315 2.327 50 0 BEAARN Cc1ccsc1C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000003755737 346579772 /nfs/dbraw/zinc/57/97/72/346579772.db2.gz ANXDNQWMFVVFPN-JTQLQIEISA-N 0 0 239.340 2.496 50 0 BEAARN Cc1ccc2c(c1)nc(-c1ccnn1C)n2C ZINC000048879949 346580027 /nfs/dbraw/zinc/58/00/27/346580027.db2.gz WXUUYLOTQLIGTH-UHFFFAOYSA-N 0 0 226.283 2.282 50 0 BEAARN Cc1cccc(NC(=O)C(=O)c2ccc[nH]2)c1 ZINC000065083801 179124891 /nfs/dbraw/zinc/12/48/91/179124891.db2.gz QTWTVIPGODPFPY-UHFFFAOYSA-N 0 0 228.251 2.145 50 0 BEAARN Cn1c(Cl)cnc1[C@H](O)c1ccccc1 ZINC000004399975 346598508 /nfs/dbraw/zinc/59/85/08/346598508.db2.gz SLAACMWJSPJIGH-SNVBAGLBSA-N 0 0 222.675 2.155 50 0 BEAARN CC[C@]1(Cc2ccccc2)SC(=N)NC1=O ZINC000004582499 346604649 /nfs/dbraw/zinc/60/46/49/346604649.db2.gz OIPNAGKHKUTBDV-GFCCVEGCSA-N 0 0 234.324 2.176 50 0 BEAARN Cc1cc(C(=O)NC2CCCCC2)on1 ZINC000005006682 346609663 /nfs/dbraw/zinc/60/96/63/346609663.db2.gz OGIFJGCDCWNECL-UHFFFAOYSA-N 0 0 208.261 2.046 50 0 BEAARN COC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000004842751 346610045 /nfs/dbraw/zinc/61/00/45/346610045.db2.gz KOOSCVQVPHHPGR-UHFFFAOYSA-N 0 0 209.289 2.167 50 0 BEAARN C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000005368208 346614933 /nfs/dbraw/zinc/61/49/33/346614933.db2.gz HMITUJGNRCASQV-UWVGGRQHSA-N 0 0 207.273 2.200 50 0 BEAARN Cc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000028192870 179137868 /nfs/dbraw/zinc/13/78/68/179137868.db2.gz FDDRQOTVGVJXRA-LLVKDONJSA-N 0 0 229.283 2.391 50 0 BEAARN Cc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000028192869 179140493 /nfs/dbraw/zinc/14/04/93/179140493.db2.gz FDDRQOTVGVJXRA-NSHDSACASA-N 0 0 229.283 2.391 50 0 BEAARN Cc1cccc(Nc2ncnc3c2cnn3C)c1 ZINC000001298979 179161332 /nfs/dbraw/zinc/16/13/32/179161332.db2.gz MLUHWTUFJZKUST-UHFFFAOYSA-N 0 0 239.282 2.415 50 0 BEAARN CC(C)(C)c1ccc(CCC(N)=O)cc1 ZINC000010338465 346789467 /nfs/dbraw/zinc/78/94/67/346789467.db2.gz PMGXVJDKWIGUQQ-UHFFFAOYSA-N 0 0 205.301 2.402 50 0 BEAARN Cc1cccc(OCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000040161793 179168647 /nfs/dbraw/zinc/16/86/47/179168647.db2.gz IMIYYNWKYBWOJH-KBPBESRZSA-N 0 0 249.354 2.483 50 0 BEAARN Cc1cccc(O[C@H](C)C(=O)N(C)C)c1C ZINC000012940280 179174849 /nfs/dbraw/zinc/17/48/49/179174849.db2.gz GGMPSHKMYOITOC-LLVKDONJSA-N 0 0 221.300 2.159 50 0 BEAARN Cc1cccc([C@H](C)[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000172672680 179194559 /nfs/dbraw/zinc/19/45/59/179194559.db2.gz JQFVTMMGFKPIPX-AAEUAGOBSA-N 0 0 233.311 2.463 50 0 BEAARN CC(C)c1ccc(Nc2cc(=O)[nH][nH]2)cc1 ZINC000004344980 347361611 /nfs/dbraw/zinc/36/16/11/347361611.db2.gz SCGWXXZSTHQBQX-UHFFFAOYSA-N 0 0 217.272 2.055 50 0 BEAARN Cc1cccc2c1N(CC(C)C)C(=O)C2=O ZINC000002489365 179218301 /nfs/dbraw/zinc/21/83/01/179218301.db2.gz DYHINDZCOMPNJK-UHFFFAOYSA-N 0 0 217.268 2.180 50 0 BEAARN Cc1cccc2c1NC(C)(C)N(C)C2=O ZINC000057291858 179220126 /nfs/dbraw/zinc/22/01/26/179220126.db2.gz SGGKAOPTBHYWBH-UHFFFAOYSA-N 0 0 204.273 2.229 50 0 BEAARN Cc1cccc2nc(C(F)(F)F)[nH]c(=O)c12 ZINC000062152173 179229329 /nfs/dbraw/zinc/22/93/29/179229329.db2.gz IMVVSELUSQRNEE-UHFFFAOYSA-N 0 0 228.173 2.250 50 0 BEAARN CCc1c(C)sc2nc(C)oc(=O)c12 ZINC000002755125 347511053 /nfs/dbraw/zinc/51/10/53/347511053.db2.gz CCJUQKQLMYKKSM-UHFFFAOYSA-N 0 0 209.270 2.429 50 0 BEAARN C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000020307771 347517561 /nfs/dbraw/zinc/51/75/61/347517561.db2.gz XQHRYMZFIFTAFR-SECBINFHSA-N 0 0 220.316 2.270 50 0 BEAARN Cc1ccccc1C(=O)OCC(=O)c1ccc[nH]1 ZINC000008510973 179252559 /nfs/dbraw/zinc/25/25/59/179252559.db2.gz XSUHFIYLYFRBND-UHFFFAOYSA-N 0 0 243.262 2.363 50 0 BEAARN Cc1ccccc1C(=O)OCCn1ccnc1 ZINC000095448038 179252567 /nfs/dbraw/zinc/25/25/67/179252567.db2.gz VAXCONOXANBIHT-UHFFFAOYSA-N 0 0 230.267 2.049 50 0 BEAARN Cc1n[nH]cc1NC(=O)Cc1ccccc1C ZINC000049476785 179260401 /nfs/dbraw/zinc/26/04/01/179260401.db2.gz LUCUZIYLXKBTPM-UHFFFAOYSA-N 0 0 229.283 2.208 50 0 BEAARN Cc1ccccc1CC(=O)Nc1ccon1 ZINC000006699179 179260864 /nfs/dbraw/zinc/26/08/64/179260864.db2.gz JZCUEXTYPRGPFL-UHFFFAOYSA-N 0 0 216.240 2.164 50 0 BEAARN Cc1ccccc1CCNC(=O)C1CC1 ZINC000045600775 179263761 /nfs/dbraw/zinc/26/37/61/179263761.db2.gz BMDKESMVGYJJCF-UHFFFAOYSA-N 0 0 203.285 2.064 50 0 BEAARN Cc1ccccc1CCNC(=O)c1cccnc1 ZINC000012979122 179265842 /nfs/dbraw/zinc/26/58/42/179265842.db2.gz SWUVBRDBLACTJB-UHFFFAOYSA-N 0 0 240.306 2.363 50 0 BEAARN Cc1cnc(C)c(NCC2(CCO)CCC2)n1 ZINC000195563924 347646733 /nfs/dbraw/zinc/64/67/33/347646733.db2.gz ZMZJLJUZSDMZPE-UHFFFAOYSA-N 0 0 235.331 2.058 50 0 BEAARN Cc1cccc(N[C@@H](C)CCN2CCCC2=O)n1 ZINC000195566824 347647213 /nfs/dbraw/zinc/64/72/13/347647213.db2.gz CUIOEWRTPPSCMR-LBPRGKRZSA-N 0 0 247.342 2.203 50 0 BEAARN CCOC(=O)[C@]1(C)CCN(c2cccc(C)n2)C1 ZINC000195566902 347647365 /nfs/dbraw/zinc/64/73/65/347647365.db2.gz KTXMIGROWBZTDD-CQSZACIVSA-N 0 0 248.326 2.170 50 0 BEAARN Cc1ccccc1CN(C)[C@@H]1C[C@H](C)OC1=O ZINC000040477633 179268839 /nfs/dbraw/zinc/26/88/39/179268839.db2.gz UTEPJJPZARQIRX-WCQYABFASA-N 0 0 233.311 2.131 50 0 BEAARN Cc1ccccc1CNC(=O)NCC1CC1 ZINC000012894400 179278232 /nfs/dbraw/zinc/27/82/32/179278232.db2.gz BVQJSDUXOHHNRA-UHFFFAOYSA-N 0 0 218.300 2.204 50 0 BEAARN CNc1ccnc(NCC2C(C)(C)C2(C)C)n1 ZINC000534577312 323153713 /nfs/dbraw/zinc/15/37/13/323153713.db2.gz PICBCFBARQPNLH-UHFFFAOYSA-N 0 0 234.347 2.034 50 0 BEAARN CCSCCNc1ccc2c(c1)nnn2C ZINC000592451774 347780351 /nfs/dbraw/zinc/78/03/51/347780351.db2.gz WDWSBFMMTYAOLO-UHFFFAOYSA-N 0 0 236.344 2.133 50 0 BEAARN Cc1ccccc1N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000017975723 179295523 /nfs/dbraw/zinc/29/55/23/179295523.db2.gz QLFMLNSQOPZXGE-TXEJJXNPSA-N 0 0 241.290 2.451 50 0 BEAARN Cc1ccccc1NC(=O)C(=O)c1cccn1C ZINC000065083918 179297993 /nfs/dbraw/zinc/29/79/93/179297993.db2.gz CYHUPLDSXXTAQW-UHFFFAOYSA-N 0 0 242.278 2.155 50 0 BEAARN Cc1ccccc1N[C@@H]1SC(=O)N(C)C1=O ZINC000004450742 179306729 /nfs/dbraw/zinc/30/67/29/179306729.db2.gz QWKVLAOGYIBIKG-SECBINFHSA-N 0 0 236.296 2.058 50 0 BEAARN Cc1ccccc1SCC(=O)Nc1cn[nH]c1 ZINC000035237365 179314926 /nfs/dbraw/zinc/31/49/26/179314926.db2.gz CYFXWJQIJFOOSO-UHFFFAOYSA-N 0 0 247.323 2.449 50 0 BEAARN Cc1ccccc1SCC(=O)N1CCC1 ZINC000012973782 179315329 /nfs/dbraw/zinc/31/53/29/179315329.db2.gz HVSIIDFEQAPFDG-UHFFFAOYSA-N 0 0 221.325 2.319 50 0 BEAARN CCCc1c(Cl)nc2c(F)cccn2c1=O ZINC000725243939 537995553 /nfs/dbraw/zinc/99/55/53/537995553.db2.gz BPRAAOFAZSPPMU-UHFFFAOYSA-N 0 0 240.665 2.440 50 0 BEAARN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCO1 ZINC000012982565 179335406 /nfs/dbraw/zinc/33/54/06/179335406.db2.gz UOFWAPXVZQBOSB-AAEUAGOBSA-N 0 0 233.311 2.351 50 0 BEAARN Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)[O-])C1 ZINC000262181809 179347502 /nfs/dbraw/zinc/34/75/02/179347502.db2.gz DTMSSQGFWMLVEJ-LBPRGKRZSA-N 0 0 233.311 2.259 50 0 BEAARN Cc1cccn(Cc2cccc(F)c2)c1=O ZINC000069925462 179352725 /nfs/dbraw/zinc/35/27/25/179352725.db2.gz UBVGQRAYIUDUDL-UHFFFAOYSA-N 0 0 217.243 2.344 50 0 BEAARN Cc1cccn2c(C(=O)C(F)(F)F)cnc12 ZINC000012616101 179353732 /nfs/dbraw/zinc/35/37/32/179353732.db2.gz BWVKISIXJGQUMT-UHFFFAOYSA-N 0 0 228.173 2.388 50 0 BEAARN Cc1cc(NC(=O)Nc2ncccc2C)nn1C ZINC000170590101 179393083 /nfs/dbraw/zinc/39/30/83/179393083.db2.gz ZJNWWUMUMSANHD-UHFFFAOYSA-N 0 0 245.286 2.076 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccc(OC)nc1 ZINC000046043015 490161571 /nfs/dbraw/zinc/16/15/71/490161571.db2.gz HCGNQABQMSGVFC-YHYXMXQVSA-N 0 0 234.299 2.063 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@@]1(C)c1ccccc1 ZINC000669382681 538004153 /nfs/dbraw/zinc/00/41/53/538004153.db2.gz IGBKIUKIYLOSFX-QWHCGFSZSA-N 0 0 220.268 2.254 50 0 BEAARN Cc1cnc(C(=O)NCC2CCCCC2)cn1 ZINC000000411102 179574215 /nfs/dbraw/zinc/57/42/15/179574215.db2.gz AEGBNQLYBFIZTD-UHFFFAOYSA-N 0 0 233.315 2.095 50 0 BEAARN Cc1cnc(C)c(-c2ccccc2CO)n1 ZINC000060057503 179578703 /nfs/dbraw/zinc/57/87/03/179578703.db2.gz MITXACKZPFRQRE-UHFFFAOYSA-N 0 0 214.268 2.253 50 0 BEAARN CC[C@]1(C(=O)OC)O[C@]12CCCC[C@@H]2C ZINC000669384397 538015334 /nfs/dbraw/zinc/01/53/34/538015334.db2.gz VINDUOANHPCCLB-WCQGTBRESA-N 0 0 212.289 2.287 50 0 BEAARN Cc1cnn(-c2ccc(N)cc2Cl)c1 ZINC000020351935 179714133 /nfs/dbraw/zinc/71/41/33/179714133.db2.gz NOWBGUTVTCBHMT-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN Cc1cnn(-c2c(N)cccc2Cl)c1 ZINC000012395448 179714140 /nfs/dbraw/zinc/71/41/40/179714140.db2.gz OJNSVJIXKVHKQE-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN O=C(Nc1ccc(O)cc1F)C1CC=CC1 ZINC000082879339 348917787 /nfs/dbraw/zinc/91/77/87/348917787.db2.gz RCHXQDGTMINKGC-UHFFFAOYSA-N 0 0 221.231 2.436 50 0 BEAARN O=c1cc[nH]c(C(F)(F)C(F)(F)F)c1 ZINC000118462566 348988219 /nfs/dbraw/zinc/98/82/19/348988219.db2.gz UCOZRMDJKIDZIM-UHFFFAOYSA-N 0 0 213.105 2.441 50 0 BEAARN CC(=O)c1c(C)nc(-c2cccs2)n1O ZINC000000139890 187407710 /nfs/dbraw/zinc/40/77/10/187407710.db2.gz LXQVWPZNHXESHI-UHFFFAOYSA-N 0 0 222.269 2.360 50 0 BEAARN COc1ccc(Cl)cc1NC(=O)CC(C)=O ZINC000000449307 187408201 /nfs/dbraw/zinc/40/82/01/187408201.db2.gz HSGGSKCDDPPKMD-UHFFFAOYSA-N 0 0 241.674 2.266 50 0 BEAARN COc1ccc(C(=O)Cc2nnc(C)s2)cc1 ZINC000000386688 187408335 /nfs/dbraw/zinc/40/83/35/187408335.db2.gz RUCQMBXXOONDJN-UHFFFAOYSA-N 0 0 248.307 2.281 50 0 BEAARN C=CC(=O)OCC(F)(F)[C@@H](F)C(F)(F)F ZINC000004265875 187410636 /nfs/dbraw/zinc/41/06/36/187410636.db2.gz LMVLEDTVXAGBJV-RXMQYKEDSA-N 0 0 236.111 2.251 50 0 BEAARN CC(=O)OCC(=O)c1ccc(C)c(C)c1 ZINC000034925438 187421563 /nfs/dbraw/zinc/42/15/63/187421563.db2.gz BCTORPVQMFXLBK-UHFFFAOYSA-N 0 0 206.241 2.049 50 0 BEAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)O ZINC000012318417 187414695 /nfs/dbraw/zinc/41/46/95/187414695.db2.gz UJNOLBSYLSYIBM-KKOKHZNYSA-N 0 0 228.332 2.371 50 0 BEAARN CCN(CC)c1nnc(-n2cccc2)s1 ZINC000006750025 538025241 /nfs/dbraw/zinc/02/52/41/538025241.db2.gz UYEKORCRGZJFIK-UHFFFAOYSA-N 0 0 222.317 2.175 50 0 BEAARN Cc1csc(=O)n1Cc1ccn(C(C)C)n1 ZINC000089702612 179763402 /nfs/dbraw/zinc/76/34/02/179763402.db2.gz AIRJVCFKSRGADE-UHFFFAOYSA-N 0 0 237.328 2.044 50 0 BEAARN Cc1csc(S[C@@H](C)C(=O)NC(C)C)n1 ZINC000007814646 179791483 /nfs/dbraw/zinc/79/14/83/179791483.db2.gz KVBOEFRZKXHUET-QMMMGPOBSA-N 0 0 244.385 2.457 50 0 BEAARN COc1ccc(C(=O)c2cccnc2)c(OC)c1 ZINC000045028798 187434234 /nfs/dbraw/zinc/43/42/34/187434234.db2.gz MPELHYBBRVDGIA-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1cc(OCC2CC2)ccc1C=O ZINC000221744640 349286672 /nfs/dbraw/zinc/28/66/72/349286672.db2.gz MSBHRAVTNJCHDZ-UHFFFAOYSA-N 0 0 206.241 2.297 50 0 BEAARN Cc1cccc(C(=O)N[C@H]2CC23CC3)c1F ZINC000335118402 133783106 /nfs/dbraw/zinc/78/31/06/133783106.db2.gz SKXPCUIEBWRUKW-JTQLQIEISA-N 0 0 219.259 2.416 50 0 BEAARN Cc1nc(CC(=O)NCc2ccccc2)cs1 ZINC000021003584 179928726 /nfs/dbraw/zinc/92/87/26/179928726.db2.gz POTMBNKOBFXIJB-UHFFFAOYSA-N 0 0 246.335 2.310 50 0 BEAARN CCC[C@@H](Nc1cc(C#N)cnn1)C1CCC1 ZINC000396969769 350019064 /nfs/dbraw/zinc/01/90/64/350019064.db2.gz ZCOLULLFNNBNCZ-GFCCVEGCSA-N 0 0 230.315 2.151 50 0 BEAARN O=S(=O)(NC1CCCC1)c1ccccc1F ZINC000007375626 538049309 /nfs/dbraw/zinc/04/93/09/538049309.db2.gz VXBKPHKWEWRZBB-UHFFFAOYSA-N 0 0 243.303 2.047 50 0 BEAARN CN(CCc1cccs1)c1cc(C#N)cnn1 ZINC000397007138 350035105 /nfs/dbraw/zinc/03/51/05/350035105.db2.gz WPJCLYQOGLIWCQ-UHFFFAOYSA-N 0 0 244.323 2.089 50 0 BEAARN Cc1ccc(F)c(CO)c1Br ZINC000075925967 191005712 /nfs/dbraw/zinc/00/57/12/191005712.db2.gz UWZIOJFMHZAYMQ-UHFFFAOYSA-N 0 0 219.053 2.389 50 0 BEAARN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(N)=O ZINC000077538751 191005715 /nfs/dbraw/zinc/00/57/15/191005715.db2.gz PVGVEMIKXIVFLG-PSASIEDQSA-N 0 0 222.263 2.082 50 0 BEAARN Cc1nc(NCc2coc3ccccc23)n(C)n1 ZINC000162478760 180020094 /nfs/dbraw/zinc/02/00/94/180020094.db2.gz GXHCOXJKKHHAKV-UHFFFAOYSA-N 0 0 242.282 2.482 50 0 BEAARN COC(=O)Cn1cc(C(C)=O)c2ccccc21 ZINC000000807198 350117680 /nfs/dbraw/zinc/11/76/80/350117680.db2.gz NULAOSQHJNKNQA-UHFFFAOYSA-N 0 0 231.251 2.017 50 0 BEAARN Cc1nc2c(o1)CCc1ccccc1[C@@H]2O ZINC000000074146 180072432 /nfs/dbraw/zinc/07/24/32/180072432.db2.gz TXKVXQAFACOKFT-ZDUSSCGKSA-N 0 0 215.252 2.163 50 0 BEAARN Cc1nc2cc(OC(=O)C3CC3)ccc2o1 ZINC000169854144 180083974 /nfs/dbraw/zinc/08/39/74/180083974.db2.gz VIWNZVOBRKOFJN-UHFFFAOYSA-N 0 0 217.224 2.452 50 0 BEAARN Cc1nc2ccc(Br)nc2[nH]1 ZINC000066339786 180113889 /nfs/dbraw/zinc/11/38/89/180113889.db2.gz AXMQBOUOVYZIMK-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN Cc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](C)N2 ZINC000095471673 180115029 /nfs/dbraw/zinc/11/50/29/180115029.db2.gz DJVKJKTUBCAKLX-BXKDBHETSA-N 0 0 228.299 2.380 50 0 BEAARN Cc1nc2nc(-c3cccs3)cn2nc1C ZINC000000501768 180114634 /nfs/dbraw/zinc/11/46/34/180114634.db2.gz QGCRDDQZBYEZLR-UHFFFAOYSA-N 0 0 230.296 2.470 50 0 BEAARN Cc1nc2ccc3oc(=O)ccc3c2o1 ZINC000096346801 180099321 /nfs/dbraw/zinc/09/93/21/180099321.db2.gz WHCYHTWMAMGZRU-UHFFFAOYSA-N 0 0 201.181 2.243 50 0 BEAARN Cc1nc2ccccc2n1CCNC(=O)C(C)C ZINC000024477332 180102693 /nfs/dbraw/zinc/10/26/93/180102693.db2.gz VGBKYJPFRLBINF-UHFFFAOYSA-N 0 0 245.326 2.117 50 0 BEAARN COc1ccc(Br)c(OC)c1O ZINC000034454556 350171401 /nfs/dbraw/zinc/17/14/01/350171401.db2.gz XXFKACCLBKXQDX-UHFFFAOYSA-N 0 0 233.061 2.172 50 0 BEAARN Cc1nc2ncnn2c(Nc2ccccc2)c1C ZINC000001326168 180115841 /nfs/dbraw/zinc/11/58/41/180115841.db2.gz KDBVDOSDSKJUSN-UHFFFAOYSA-N 0 0 239.282 2.485 50 0 BEAARN Cc1ncc(CNC(=O)c2ccoc2C)s1 ZINC000032611470 180150022 /nfs/dbraw/zinc/15/00/22/180150022.db2.gz TYBWTFYOOISPHM-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN Cc1cc(N)cc(F)c1Br ZINC000067802769 187441605 /nfs/dbraw/zinc/44/16/05/187441605.db2.gz WTNCRDVVJCQOOF-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN CON(C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000032796738 350211247 /nfs/dbraw/zinc/21/12/47/350211247.db2.gz MPSMNTDAAJYFBJ-UHFFFAOYSA-N 0 0 232.283 2.039 50 0 BEAARN Cc1ncccc1C(=O)OC[C@H]1CCCCO1 ZINC000078797105 180215209 /nfs/dbraw/zinc/21/52/09/180215209.db2.gz WWWSTDHVRYEETP-LLVKDONJSA-N 0 0 235.283 2.116 50 0 BEAARN O=c1c2ccccc2occ1C1OCC=CCO1 ZINC000005776712 350228031 /nfs/dbraw/zinc/22/80/31/350228031.db2.gz UVRBXXMSQVWAMP-UHFFFAOYSA-N 0 0 244.246 2.395 50 0 BEAARN Cc1ncccc1CN1C[C@@H](C)OCC1(C)C ZINC000097139429 180221571 /nfs/dbraw/zinc/22/15/71/180221571.db2.gz VEFDGPLWHWDFNT-LLVKDONJSA-N 0 0 234.343 2.389 50 0 BEAARN Cc1nccn1-c1c(N)cccc1Cl ZINC000015019563 180229124 /nfs/dbraw/zinc/22/91/24/180229124.db2.gz JMCHLSXHJKSEEK-UHFFFAOYSA-N 0 0 207.664 2.416 50 0 BEAARN CC(C)(C)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000076022330 362951784 /nfs/dbraw/zinc/95/17/84/362951784.db2.gz ZZVMUOBSQJRUNO-PHIMTYICSA-N 0 0 207.317 2.457 50 0 BEAARN Cc1cncc(C)c1I ZINC000223273934 350271675 /nfs/dbraw/zinc/27/16/75/350271675.db2.gz KWIPGLZHPLXGQT-UHFFFAOYSA-N 0 0 233.052 2.303 50 0 BEAARN Cc1ncnc(Cl)c1Br ZINC000002559900 180290997 /nfs/dbraw/zinc/29/09/97/180290997.db2.gz COSNNPGRFRGVPC-UHFFFAOYSA-N 0 0 207.458 2.201 50 0 BEAARN COc1ccc(-c2nccn2C)c(OC)c1OC ZINC000426503481 191093305 /nfs/dbraw/zinc/09/33/05/191093305.db2.gz VLRWNBXRVXOWFZ-UHFFFAOYSA-N 0 0 248.282 2.113 50 0 BEAARN COc1ccc(-c2c(C)n[nH]c2C)cc1CO ZINC000426545162 191096465 /nfs/dbraw/zinc/09/64/65/191096465.db2.gz RROFGIIUTKAQKM-UHFFFAOYSA-N 0 0 232.283 2.194 50 0 BEAARN Cc1cc(C=O)c(C)n1NC(=O)c1ccccc1 ZINC000000620231 350341840 /nfs/dbraw/zinc/34/18/40/350341840.db2.gz GPQYWERDPQKJMZ-UHFFFAOYSA-N 0 0 242.278 2.301 50 0 BEAARN CC(C)Cc1noc(CN2CCCCC2)n1 ZINC000040490038 350369344 /nfs/dbraw/zinc/36/93/44/350369344.db2.gz GPNRMTQIRGSACO-UHFFFAOYSA-N 0 0 223.320 2.254 50 0 BEAARN O=C1CSC(=O)N1Cc1ccc(F)cc1 ZINC000002994197 350350307 /nfs/dbraw/zinc/35/03/07/350350307.db2.gz GTAZAXSMXJLHEP-UHFFFAOYSA-N 0 0 225.244 2.021 50 0 BEAARN Cc1ncsc1C(=O)NC1CCCC1 ZINC000046565308 180302785 /nfs/dbraw/zinc/30/27/85/180302785.db2.gz BAKSPJAYRJNEFA-UHFFFAOYSA-N 0 0 210.302 2.124 50 0 BEAARN CC[C@@H](O)COc1cccc(-c2noc(C)n2)c1 ZINC000225418596 350362266 /nfs/dbraw/zinc/36/22/66/350362266.db2.gz CFJGDKYHFSMDFS-LLVKDONJSA-N 0 0 248.282 2.195 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCO1 ZINC000040458942 350365693 /nfs/dbraw/zinc/36/56/93/350365693.db2.gz FZUCBYZCMUUSHK-QMMMGPOBSA-N 0 0 245.200 2.221 50 0 BEAARN Nc1cccc(COc2cccnc2)c1 ZINC000039090742 350330307 /nfs/dbraw/zinc/33/03/07/350330307.db2.gz TZJJRSFAVSRPKP-UHFFFAOYSA-N 0 0 200.241 2.243 50 0 BEAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C=O ZINC000004206194 180328379 /nfs/dbraw/zinc/32/83/79/180328379.db2.gz AXOXHQSHPSKAID-UHFFFAOYSA-N 0 0 218.231 2.441 50 0 BEAARN Cc1nn(-c2ccc(F)cc2)cc1C=O ZINC000002654607 180329704 /nfs/dbraw/zinc/32/97/04/180329704.db2.gz QBIRXXWIZRAALG-UHFFFAOYSA-N 0 0 204.204 2.132 50 0 BEAARN Cc1nn(-c2ccccc2F)c(C)c1C=O ZINC000019438387 180329961 /nfs/dbraw/zinc/32/99/61/180329961.db2.gz QDFMDBVEXHHRNK-UHFFFAOYSA-N 0 0 218.231 2.441 50 0 BEAARN CN(C)c1ccc(NC(=O)NC2CCCC2)cn1 ZINC000031030486 350382473 /nfs/dbraw/zinc/38/24/73/350382473.db2.gz ZKOPKEWLWBKLKG-UHFFFAOYSA-N 0 0 248.330 2.212 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCC[C@H]1C ZINC000002782032 180334298 /nfs/dbraw/zinc/33/42/98/180334298.db2.gz RQRCWQHWRXZXDQ-SKDRFNHKSA-N 0 0 249.358 2.345 50 0 BEAARN Cc1nn(C)c(C)c1NC(=O)c1cccc(F)c1 ZINC000032675873 180344221 /nfs/dbraw/zinc/34/42/21/180344221.db2.gz PCMVLAUOPZZQEJ-UHFFFAOYSA-N 0 0 247.273 2.428 50 0 BEAARN Cc1nn(C)c(C)c1OCc1ccn(C(C)C)n1 ZINC000089512332 180347638 /nfs/dbraw/zinc/34/76/38/180347638.db2.gz CTMRRQXEPAWPSC-UHFFFAOYSA-N 0 0 248.330 2.393 50 0 BEAARN Cc1nn(C)c(Cl)c1Br ZINC000071767384 180348924 /nfs/dbraw/zinc/34/89/24/180348924.db2.gz QKIJYRSHMYOVEV-UHFFFAOYSA-N 0 0 209.474 2.144 50 0 BEAARN Cc1nn(C)c(C)c1CNC(=O)CC(C)(C)C ZINC000032648305 180338610 /nfs/dbraw/zinc/33/86/10/180338610.db2.gz BGZACTXPOWSAAM-UHFFFAOYSA-N 0 0 237.347 2.089 50 0 BEAARN Cc1nn(C)c(Oc2ccccc2)c1C=O ZINC000003883670 180361483 /nfs/dbraw/zinc/36/14/83/180361483.db2.gz WCLPDOWYSKMISR-UHFFFAOYSA-N 0 0 216.240 2.333 50 0 BEAARN Cc1nn(C)c2ncc(NC(=O)CC(C)C)cc12 ZINC000024032576 180364709 /nfs/dbraw/zinc/36/47/09/180364709.db2.gz WMCGBALGSZZFKH-UHFFFAOYSA-N 0 0 246.314 2.261 50 0 BEAARN Cc1nn(C)cc1-c1ccnc(NCC2CC2)n1 ZINC000048428149 180365939 /nfs/dbraw/zinc/36/59/39/180365939.db2.gz PUNFRKVNEYSAND-UHFFFAOYSA-N 0 0 243.314 2.007 50 0 BEAARN Cc1nn(C)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000002779234 180368234 /nfs/dbraw/zinc/36/82/34/180368234.db2.gz YWZNTEHWDWSPGT-NXEZZACHSA-N 0 0 235.331 2.132 50 0 BEAARN Cc1nn(C)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000002779233 180368443 /nfs/dbraw/zinc/36/84/43/180368443.db2.gz YWZNTEHWDWSPGT-UWVGGRQHSA-N 0 0 235.331 2.132 50 0 BEAARN CCCn1cnc2cc(C(=O)OC)ccc21 ZINC000085476859 187452475 /nfs/dbraw/zinc/45/24/75/187452475.db2.gz DHSBSKFTQSOEAI-UHFFFAOYSA-N 0 0 218.256 2.233 50 0 BEAARN Cc1c(COC(C)C)cccc1NC(N)=O ZINC000076081963 362966480 /nfs/dbraw/zinc/96/64/80/362966480.db2.gz SOLPHTHTBXHGFH-UHFFFAOYSA-N 0 0 222.288 2.411 50 0 BEAARN CC(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000000292075 191108844 /nfs/dbraw/zinc/10/88/44/191108844.db2.gz NUFGRLNQSGQRIC-UHFFFAOYSA-N 0 0 233.296 2.472 50 0 BEAARN CC(C)COc1cncc(NCc2ccon2)n1 ZINC000084544470 187452764 /nfs/dbraw/zinc/45/27/64/187452764.db2.gz DENUOPMVGYNUMC-UHFFFAOYSA-N 0 0 248.286 2.112 50 0 BEAARN CC(=O)OC[C@@]12COC[C@@H](C(C)=C[C@@H]1C)[C@@H]2C ZINC000000519500 191109143 /nfs/dbraw/zinc/10/91/43/191109143.db2.gz PUIXWPWZUOZSNM-IMIFBBOLSA-N 0 0 238.327 2.414 50 0 biogenic BEAARN Cc1nnc(NC(=O)NCc2ccccc2)s1 ZINC000040526547 180430945 /nfs/dbraw/zinc/43/09/45/180430945.db2.gz NFRMGAXZCRFADN-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN CC(=O)N1C[C@@H](c2ccc(C)cc2)O[C@@H](C)C1 ZINC000041422254 187459017 /nfs/dbraw/zinc/45/90/17/187459017.db2.gz UNSUUAYHBGLISC-FZMZJTMJSA-N 0 0 233.311 2.303 50 0 BEAARN CC1(C)O[C@H]2Cc3ccccc3C[C@@H]2O1 ZINC000000345581 191117181 /nfs/dbraw/zinc/11/71/81/191117181.db2.gz BVOIEXZNCZPVRO-RYUDHWBXSA-N 0 0 204.269 2.305 50 0 BEAARN Cc1noc(C)c1CSC[C@H](C)CO ZINC000085139466 180475029 /nfs/dbraw/zinc/47/50/29/180475029.db2.gz JMDHKUZILUTKGV-SSDOTTSWSA-N 0 0 215.318 2.153 50 0 BEAARN Cc1ccc2ccc(N)c([N+](=O)[O-])c2n1 ZINC000096029311 350800259 /nfs/dbraw/zinc/80/02/59/350800259.db2.gz IRINVSPFFGRSFV-UHFFFAOYSA-N 0 0 203.201 2.034 50 0 BEAARN Cc1nsc(N[C@H]2CC[C@@H](F)C2)n1 ZINC000307464958 180524076 /nfs/dbraw/zinc/52/40/76/180524076.db2.gz CTNBWJLKQDAINK-RQJHMYQMSA-N 0 0 201.270 2.149 50 0 BEAARN Cc1occc1C(=O)N[C@H](C)c1cnn(C)c1C ZINC000036763493 180538657 /nfs/dbraw/zinc/53/86/57/180538657.db2.gz JTYFZSOOIAWAPD-MRVPVSSYSA-N 0 0 247.298 2.121 50 0 BEAARN CC(C)(C)c1cc(NC(=O)[C@@H]2CCCO2)no1 ZINC000001054944 350992052 /nfs/dbraw/zinc/99/20/52/350992052.db2.gz PRNUSDXNXCLDJY-QMMMGPOBSA-N 0 0 238.287 2.090 50 0 BEAARN O=C1CCCc2nc(-c3ccncc3)ncc21 ZINC000001096701 351011125 /nfs/dbraw/zinc/01/11/25/351011125.db2.gz RWYOZVRFGZXUNQ-UHFFFAOYSA-N 0 0 225.251 2.058 50 0 BEAARN Clc1ccc(Cc2ccccn2)nn1 ZINC000003052244 180582154 /nfs/dbraw/zinc/58/21/54/180582154.db2.gz HOAXRKGLYLJRAW-UHFFFAOYSA-N 0 0 205.648 2.116 50 0 BEAARN CCSC1=N/C(=C\c2ccccc2)C(=O)N1 ZINC000005900962 351297423 /nfs/dbraw/zinc/29/74/23/351297423.db2.gz NOBLHNZMOKWDBT-NTMALXAHSA-N 0 0 232.308 2.266 50 0 BEAARN Cc1ccc(NCc2nccn2C)cc1 ZINC000034937774 351352562 /nfs/dbraw/zinc/35/25/62/351352562.db2.gz JJVQBJAINXSVDB-UHFFFAOYSA-N 0 0 201.273 2.341 50 0 BEAARN Clc1cccc(NCc2nnnn2C2CC2)c1 ZINC000072312431 180591472 /nfs/dbraw/zinc/59/14/72/180591472.db2.gz MYPQZLODGURTRY-UHFFFAOYSA-N 0 0 249.705 2.274 50 0 BEAARN Clc1nncc2cc(Br)cnc12 ZINC000095831401 180604613 /nfs/dbraw/zinc/60/46/13/180604613.db2.gz NRDBHDGVXOYYLZ-UHFFFAOYSA-N 0 0 244.479 2.441 50 0 BEAARN Clc1nnc2ccc(-c3ccccc3)nn12 ZINC000000293992 180604669 /nfs/dbraw/zinc/60/46/69/180604669.db2.gz IWCCSYIXLLUUAF-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN O=C(CN1CCCC1)Nc1cccc(Cl)c1 ZINC000000050238 351586346 /nfs/dbraw/zinc/58/63/46/351586346.db2.gz LYOGVEMYZLFKJY-UHFFFAOYSA-N 0 0 238.718 2.374 50 0 BEAARN Cn1c2ccc3ccccc3c2nc1CO ZINC000000348814 180618006 /nfs/dbraw/zinc/61/80/06/180618006.db2.gz WQSMRBXLBZPANI-UHFFFAOYSA-N 0 0 212.252 2.219 50 0 BEAARN Cn1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cn1 ZINC000032819935 180631794 /nfs/dbraw/zinc/63/17/94/180631794.db2.gz WKULTAVBWOBWGL-DGCLKSJQSA-N 0 0 247.342 2.215 50 0 BEAARN COc1ccc(C(F)(F)F)c(C=O)c1N ZINC000116728541 323668624 /nfs/dbraw/zinc/66/86/24/323668624.db2.gz AOMIFJITALZHKZ-UHFFFAOYSA-N 0 0 219.162 2.109 50 0 BEAARN Cn1ccc2c1nccc2-c1ncccc1O ZINC000072171300 180714304 /nfs/dbraw/zinc/71/43/04/180714304.db2.gz NYKUNXQURIUZPT-UHFFFAOYSA-N 0 0 225.251 2.341 50 0 BEAARN Cn1ccc2c1cccc2C(=O)O[C@@H]1CCOC1 ZINC000098013022 180714320 /nfs/dbraw/zinc/71/43/20/180714320.db2.gz ZQHPLXFXOAVDRH-SNVBAGLBSA-N 0 0 245.278 2.124 50 0 BEAARN Cn1cccc1C(=O)NCc1ccccc1F ZINC000013493574 180722735 /nfs/dbraw/zinc/72/27/35/180722735.db2.gz RGLLVTXHSVIJPL-UHFFFAOYSA-N 0 0 232.258 2.094 50 0 BEAARN COC(=O)[C@@H](C)Nc1cc(C)ccc1C ZINC000044870443 352471235 /nfs/dbraw/zinc/47/12/35/352471235.db2.gz LKRHNMWYCVMUPH-SNVBAGLBSA-N 0 0 207.273 2.277 50 0 BEAARN CNc1nc(N2CCC[C@H](C)[C@@H]2C)ncc1F ZINC000725271648 538103552 /nfs/dbraw/zinc/10/35/52/538103552.db2.gz JMUNLMDMRBPFAF-IUCAKERBSA-N 0 0 238.310 2.282 50 0 BEAARN CNc1nc(N2CCC[C@H](C)[C@H]2C)ncc1F ZINC000725271647 538103590 /nfs/dbraw/zinc/10/35/90/538103590.db2.gz JMUNLMDMRBPFAF-DTWKUNHWSA-N 0 0 238.310 2.282 50 0 BEAARN COC(=O)c1ccc(-c2cc[nH]n2)cc1F ZINC000725272734 538104341 /nfs/dbraw/zinc/10/43/41/538104341.db2.gz KVEFNYOVEZCFSA-UHFFFAOYSA-N 0 0 220.203 2.002 50 0 BEAARN Cc1c[nH]c([C@@H](C)NC(=O)Cc2ccsc2)n1 ZINC000534660414 352599408 /nfs/dbraw/zinc/59/94/08/352599408.db2.gz YISKUZDBTKDWDR-SECBINFHSA-N 0 0 249.339 2.200 50 0 BEAARN CC(C)CC1(N=c2nc(N(C)C)[nH]s2)CC1 ZINC000534660405 352599493 /nfs/dbraw/zinc/59/94/93/352599493.db2.gz IOGNAKKEZXFRMO-UHFFFAOYSA-N 0 0 240.376 2.017 50 0 BEAARN N#CNc1nc2ccccc2nc1Cl ZINC000003259812 187756964 /nfs/dbraw/zinc/75/69/64/187756964.db2.gz CYUVNEHDBWNWEN-UHFFFAOYSA-N 0 0 204.620 2.176 50 0 BEAARN Cc1nc(C)c(C(=O)NCc2cccnc2)s1 ZINC000045051361 352562639 /nfs/dbraw/zinc/56/26/39/352562639.db2.gz YOSPGQGKFQJPQQ-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN C/C=C/C(=O)OCC(=O)Nc1cccc(C)c1 ZINC000003389952 187757324 /nfs/dbraw/zinc/75/73/24/187757324.db2.gz DDOPWULHIXTFDI-HWKANZROSA-N 0 0 233.267 2.053 50 0 BEAARN O=C1NC(=O)C(=Cc2cccc(F)c2)S1 ZINC000001231366 352582861 /nfs/dbraw/zinc/58/28/61/352582861.db2.gz FHRKKLBIQCOIMF-VMPITWQZSA-N 0 0 223.228 2.150 50 0 BEAARN Cc1ccc2[nH]c(C(=O)NC3CC3)cc2c1 ZINC000029518584 187764625 /nfs/dbraw/zinc/76/46/25/187764625.db2.gz JDHLSAFLHLWBGP-UHFFFAOYSA-N 0 0 214.268 2.369 50 0 BEAARN CC(C)COC[C@@H](C)NC(=O)C1CCCC1 ZINC000071924328 187788889 /nfs/dbraw/zinc/78/88/89/187788889.db2.gz ROZAQOPQBLNZRC-LLVKDONJSA-N 0 0 227.348 2.354 50 0 BEAARN CC(C)(C)[C@H](CCO)NC(=O)c1ccsc1 ZINC000097046218 187802100 /nfs/dbraw/zinc/80/21/00/187802100.db2.gz XRNLNGZCFRFRHV-JTQLQIEISA-N 0 0 241.356 2.275 50 0 BEAARN Cc1oncc1CN(CCCO)c1ccccc1 ZINC000128877314 187809788 /nfs/dbraw/zinc/80/97/88/187809788.db2.gz MDLHBSXAGJDTRO-UHFFFAOYSA-N 0 0 246.310 2.372 50 0 BEAARN CCCn1nccc1C(=O)NC1CCCCC1 ZINC000028222362 187832124 /nfs/dbraw/zinc/83/21/24/187832124.db2.gz DAAXCLHTCARVOR-UHFFFAOYSA-N 0 0 235.331 2.356 50 0 BEAARN CC(C)C[C@H](C)OC(=O)N1CCC[C@H](O)C1 ZINC000253419743 187841990 /nfs/dbraw/zinc/84/19/90/187841990.db2.gz RPMRXLZLDVFDMD-QWRGUYRKSA-N 0 0 229.320 2.014 50 0 BEAARN Cn1nc(-c2ccncc2)nc1-c1cscn1 ZINC000095359103 180801116 /nfs/dbraw/zinc/80/11/16/180801116.db2.gz FHCIKOZAPGNWID-UHFFFAOYSA-N 0 0 243.295 2.001 50 0 BEAARN Cn1nc(-c2ccccc2)c(CO)c1Cl ZINC000000168326 180799872 /nfs/dbraw/zinc/79/98/72/180799872.db2.gz TXVJEOGFQJOJGG-UHFFFAOYSA-N 0 0 222.675 2.233 50 0 BEAARN CC(=O)NCc1ccc(Br)s1 ZINC000045526225 187866737 /nfs/dbraw/zinc/86/67/37/187866737.db2.gz DACHBUGAIASQSE-UHFFFAOYSA-N 0 0 234.118 2.147 50 0 BEAARN Cc1[nH]ccc(=O)c1OCc1ccccc1 ZINC000008670302 353043970 /nfs/dbraw/zinc/04/39/70/353043970.db2.gz WBKGCSWOAILTET-UHFFFAOYSA-N 0 0 215.252 2.262 50 0 BEAARN Cn1nccc1C(=O)Nc1ccc(Cl)cc1 ZINC000000192535 180832844 /nfs/dbraw/zinc/83/28/44/180832844.db2.gz NNTOZVFUBINQGU-UHFFFAOYSA-N 0 0 235.674 2.326 50 0 BEAARN CCCCCNC(=O)N(C)[C@H](CO)C(C)(C)C ZINC000095430558 168706154 /nfs/dbraw/zinc/70/61/54/168706154.db2.gz UOMWTZOQKUTCHW-LLVKDONJSA-N 0 0 244.379 2.225 50 0 BEAARN Cc1ccsc1CNC(=O)[C@@H](C)n1cccn1 ZINC000045536672 353134575 /nfs/dbraw/zinc/13/45/75/353134575.db2.gz CCPVDMOSTXWBJG-SNVBAGLBSA-N 0 0 249.339 2.130 50 0 BEAARN O=c1nn[nH]c2sc(-c3ccccc3)cc21 ZINC000001321071 353138234 /nfs/dbraw/zinc/13/82/34/353138234.db2.gz VJTOBCBNHOCIEN-UHFFFAOYSA-N 0 0 229.264 2.047 50 0 BEAARN CCCCCNC(=O)Nc1cccc(C(N)=O)c1 ZINC000043717193 168709780 /nfs/dbraw/zinc/70/97/80/168709780.db2.gz YPFQKQYDUNBPSU-UHFFFAOYSA-N 0 0 249.314 2.097 50 0 BEAARN CCCC(=O)NCCc1ccccc1C ZINC000045600803 353146260 /nfs/dbraw/zinc/14/62/60/353146260.db2.gz JNOJWNHBJUUVFW-UHFFFAOYSA-N 0 0 205.301 2.454 50 0 BEAARN CC(=O)c1c(C)nn(C(=O)c2cccs2)c1C ZINC000000105674 188098489 /nfs/dbraw/zinc/09/84/89/188098489.db2.gz XLSZSMPHMZYMTA-UHFFFAOYSA-N 0 0 248.307 2.453 50 0 BEAARN Cc1cc(C)c(C)c([S@](=O)CCO)c1C ZINC000079112092 538109707 /nfs/dbraw/zinc/10/97/07/538109707.db2.gz RLAKJNSGADUADV-HNNXBMFYSA-N 0 0 226.341 2.020 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000000029809 188098963 /nfs/dbraw/zinc/09/89/63/188098963.db2.gz JEOGSSSYBQDXRV-UHFFFAOYSA-N 0 0 220.272 2.240 50 0 BEAARN COc1ccc(CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000000029291 188099025 /nfs/dbraw/zinc/09/90/25/188099025.db2.gz MMGYTUWHYJZNRZ-GFCCVEGCSA-N 0 0 247.338 2.496 50 0 BEAARN CC(=O)Oc1ccc(C(=O)NCCC(C)C)cc1 ZINC000000030404 188099101 /nfs/dbraw/zinc/09/91/01/188099101.db2.gz FOWKAGYPVSTIIB-UHFFFAOYSA-N 0 0 249.310 2.388 50 0 BEAARN COc1ccc(CC(=O)NCCC(C)C)cc1 ZINC000000030390 188099143 /nfs/dbraw/zinc/09/91/43/188099143.db2.gz GSBPNTAHVKNEJE-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 biogenic BEAARN Cc1ccc(/C=C/C(=O)NCc2ccccn2)o1 ZINC000000375293 188099252 /nfs/dbraw/zinc/09/92/52/188099252.db2.gz QGEMQFGIZFACQF-BQYQJAHWSA-N 0 0 242.278 2.313 50 0 BEAARN CC(=O)N1c2cccc3cccc(c23)C1=O ZINC000000215222 188099409 /nfs/dbraw/zinc/09/94/09/188099409.db2.gz PRMARXNVSOSOKI-UHFFFAOYSA-N 0 0 211.220 2.347 50 0 BEAARN CC(=O)OCc1cc2cccc(C)c2[nH]c1=O ZINC000000536662 188099876 /nfs/dbraw/zinc/09/98/76/188099876.db2.gz GXYFLPRTLQAZPW-UHFFFAOYSA-N 0 0 231.251 2.312 50 0 BEAARN Cc1cccc(NC(=S)NC(=O)C2CC2)c1 ZINC000000359123 188099926 /nfs/dbraw/zinc/09/99/26/188099926.db2.gz USMAMDKJSMYYBV-UHFFFAOYSA-N 0 0 234.324 2.218 50 0 BEAARN CC(=O)Nc1cccc(NC(=O)C(F)(F)F)c1 ZINC000000472887 188099947 /nfs/dbraw/zinc/09/99/47/188099947.db2.gz RBVBKCBWGNLOKJ-UHFFFAOYSA-N 0 0 246.188 2.146 50 0 BEAARN CC(=O)CC(=O)Nc1cc(C)cc(C)c1 ZINC000000449463 188099964 /nfs/dbraw/zinc/09/99/64/188099964.db2.gz XBGMOCSJVMBAEX-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN CC(=O)Nc1ccc(N)cc1C(F)(F)F ZINC000002510258 188101132 /nfs/dbraw/zinc/10/11/32/188101132.db2.gz WTUVWNQWAIVCDO-UHFFFAOYSA-N 0 0 218.178 2.246 50 0 BEAARN CCN(CC)c1ccc(C(=O)OC)cc1 ZINC000002556353 188101241 /nfs/dbraw/zinc/10/12/41/188101241.db2.gz NRZLHHHHUNKJOP-UHFFFAOYSA-N 0 0 207.273 2.319 50 0 BEAARN CC(=O)NCc1ccc2c3c(cccc31)C(=O)N2 ZINC000004284086 188101666 /nfs/dbraw/zinc/10/16/66/188101666.db2.gz NHSKWJKZCSJKHB-UHFFFAOYSA-N 0 0 240.262 2.042 50 0 BEAARN CC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000004035070 188101762 /nfs/dbraw/zinc/10/17/62/188101762.db2.gz BNHZMUIJAKRPJM-UHFFFAOYSA-N 0 0 246.335 2.489 50 0 BEAARN CC(=O)N1C[C@H](C)C(=S)Nc2ccccc21 ZINC000004127470 188102002 /nfs/dbraw/zinc/10/20/02/188102002.db2.gz SEKLLXUEKZGXLL-QMMMGPOBSA-N 0 0 234.324 2.429 50 0 BEAARN NC(=S)c1ccc(C(F)(F)F)cc1 ZINC000006092673 188102532 /nfs/dbraw/zinc/10/25/32/188102532.db2.gz IPRFNMJROWWFBH-UHFFFAOYSA-N 0 0 205.204 2.340 50 0 BEAARN C/C=C\C(=O)OCC(=O)Nc1ccccc1C ZINC000006502757 188103299 /nfs/dbraw/zinc/10/32/99/188103299.db2.gz VCEHIAKRQXKEHZ-UTCJRWHESA-N 0 0 233.267 2.053 50 0 BEAARN Cc1cc(N)n(Cc2ccccc2Cl)n1 ZINC000008733290 188103885 /nfs/dbraw/zinc/10/38/85/188103885.db2.gz LGFWCIXEKFJEIP-UHFFFAOYSA-N 0 0 221.691 2.475 50 0 BEAARN C[C@H]([NH2+][C@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000016697684 188106800 /nfs/dbraw/zinc/10/68/00/188106800.db2.gz SZDGZZWHZMCCQO-CABZTGNLSA-N 0 0 219.284 2.200 50 0 BEAARN Cc1ccc(OCCCN2CCOCC2)cc1 ZINC000019595514 188107880 /nfs/dbraw/zinc/10/78/80/188107880.db2.gz ITEJZLHDSPJNRG-UHFFFAOYSA-N 0 0 235.327 2.096 50 0 BEAARN COc1ccc(F)cc1C(=O)Nc1ccccn1 ZINC000023441048 188109329 /nfs/dbraw/zinc/10/93/29/188109329.db2.gz FSLIPWFNVQXXDG-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN CCNc1ccc(Br)cc1N ZINC000026514291 188109910 /nfs/dbraw/zinc/10/99/10/188109910.db2.gz FIHMWZLZKMUGJO-UHFFFAOYSA-N 0 0 215.094 2.463 50 0 BEAARN Cc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000027852435 188110222 /nfs/dbraw/zinc/11/02/22/188110222.db2.gz PGNUEFAODSLBII-HOVLTTNMSA-N 0 0 249.310 2.285 50 0 BEAARN COc1ccc(CNCC(F)(F)F)cc1F ZINC000036923758 188113060 /nfs/dbraw/zinc/11/30/60/188113060.db2.gz KDJIKCXTIBYROE-UHFFFAOYSA-N 0 0 237.196 2.486 50 0 BEAARN CC(C)(C)[C@H](NC(=O)c1ccn[nH]1)C(F)(F)F ZINC000073134963 188114841 /nfs/dbraw/zinc/11/48/41/188114841.db2.gz UHTQQSTUPBZDOQ-QMMMGPOBSA-N 0 0 249.236 2.117 50 0 BEAARN CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000040545044 188118038 /nfs/dbraw/zinc/11/80/38/188118038.db2.gz FVAZTHJVQLCJDV-UHFFFAOYSA-N 0 0 221.300 2.325 50 0 BEAARN CC(C)CNC(=O)CCOc1ccc(F)cc1 ZINC000040498700 188118115 /nfs/dbraw/zinc/11/81/15/188118115.db2.gz IYVVSQAPKIUOHO-UHFFFAOYSA-N 0 0 239.290 2.367 50 0 BEAARN FC(F)(Br)Br ZINC000049889523 180878397 /nfs/dbraw/zinc/87/83/97/180878397.db2.gz AZSZCFSOHXEJQE-UHFFFAOYSA-N 0 0 209.815 2.327 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000040521059 188118248 /nfs/dbraw/zinc/11/82/48/188118248.db2.gz PLLGXJQJNLAPSY-VXGBXAGGSA-N 0 0 227.348 2.449 50 0 BEAARN Clc1c[nH]c2ncc(Br)nc12 ZINC000032915122 363207270 /nfs/dbraw/zinc/20/72/70/363207270.db2.gz VKBKVPMFSIOUCS-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN C1CCC(c2noc([C@H]3CCOC3)n2)C1 ZINC000089818181 188144398 /nfs/dbraw/zinc/14/43/98/188144398.db2.gz HNQHBAWWQXQNOJ-VIFPVBQESA-N 0 0 208.261 2.231 50 0 BEAARN CC(C)(C)OC(=O)n1ncc2ccc(CO)cc21 ZINC000090411783 188144829 /nfs/dbraw/zinc/14/48/29/188144829.db2.gz JBXIIUJOBLCXRJ-UHFFFAOYSA-N 0 0 248.282 2.312 50 0 BEAARN CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000047346054 188124696 /nfs/dbraw/zinc/12/46/96/188124696.db2.gz LIXKUAMAQYVGCI-UHFFFAOYSA-N 0 0 247.216 2.220 50 0 BEAARN CC(C)Cc1nc(-c2ccc(F)c(CO)c2)n[nH]1 ZINC000067688982 188129466 /nfs/dbraw/zinc/12/94/66/188129466.db2.gz XZQWKXMFJIXJEL-UHFFFAOYSA-N 0 0 249.289 2.302 50 0 BEAARN Oc1cc(I)ccc1F ZINC000064033585 188129474 /nfs/dbraw/zinc/12/94/74/188129474.db2.gz JDGBFLDXIZQLLT-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN CC(=O)c1cccc(Br)c1O ZINC000064033505 188129752 /nfs/dbraw/zinc/12/97/52/188129752.db2.gz XPYYOCANFXTCKX-UHFFFAOYSA-N 0 0 215.046 2.357 50 0 BEAARN CC(=O)Nc1ccnn1Cc1cccc(C)c1 ZINC000073287617 188131736 /nfs/dbraw/zinc/13/17/36/188131736.db2.gz MINWSQXJXXESPC-UHFFFAOYSA-N 0 0 229.283 2.198 50 0 BEAARN Cc1cc(C)n(Cc2ccc3c(c2)OCCO3)n1 ZINC000075145336 188132570 /nfs/dbraw/zinc/13/25/70/188132570.db2.gz JBLOGDMMAFBOFQ-UHFFFAOYSA-N 0 0 244.294 2.319 50 0 BEAARN CC(C)[C@@H]1CN(Cc2ccon2)CCS1 ZINC000076065525 188133863 /nfs/dbraw/zinc/13/38/63/188133863.db2.gz PQJSRHZAGSDEGP-NSHDSACASA-N 0 0 226.345 2.248 50 0 BEAARN CC(C)(O)CNc1ccc(Br)cn1 ZINC000082828962 188140666 /nfs/dbraw/zinc/14/06/66/188140666.db2.gz CJMYFFAGIKTWHS-UHFFFAOYSA-N 0 0 245.120 2.027 50 0 BEAARN CC(C)Cc1[nH+]c2cc(N)cc(C(=O)[O-])c2n1C ZINC000084568357 188142885 /nfs/dbraw/zinc/14/28/85/188142885.db2.gz HYDIFHRHDIFDKG-UHFFFAOYSA-N 0 0 247.298 2.052 50 0 BEAARN CC(=O)Nc1ccc(OCC(F)F)cc1 ZINC000127411105 188143117 /nfs/dbraw/zinc/14/31/17/188143117.db2.gz MCKHIZPBAMOLLQ-UHFFFAOYSA-N 0 0 215.199 2.289 50 0 BEAARN C/C=C/C=C\C(=O)NCc1ccc(OC)cc1 ZINC000103282417 188150942 /nfs/dbraw/zinc/15/09/42/188150942.db2.gz ZWEMYOSDLZPSLK-ICWBMWKASA-N 0 0 231.295 2.444 50 0 BEAARN CN(C)C(=O)CCC(=O)c1c[nH]c2ccccc12 ZINC000004656527 188157031 /nfs/dbraw/zinc/15/70/31/188157031.db2.gz FADAEBLPKHQOCG-UHFFFAOYSA-N 0 0 244.294 2.219 50 0 BEAARN CC(=O)Nc1cc2cc(C)ccc2oc1=O ZINC000000237696 188158693 /nfs/dbraw/zinc/15/86/93/188158693.db2.gz OKINFMPXUSAXCW-UHFFFAOYSA-N 0 0 217.224 2.060 50 0 BEAARN CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@@H](C)OC2 ZINC000004025903 188160069 /nfs/dbraw/zinc/16/00/69/188160069.db2.gz UQRLRNHDOCTSLK-RTXFEEFZSA-N 0 0 224.300 2.311 50 0 biogenic BEAARN FC(F)(F)c1ccc(N2CCCC2)nn1 ZINC000040448199 180893913 /nfs/dbraw/zinc/89/39/13/180893913.db2.gz RRGVSKNPKBUIPD-UHFFFAOYSA-N 0 0 217.194 2.096 50 0 BEAARN CC(C)(C)OC(=O)N1CCn2cccc2C1 ZINC000095707197 188147292 /nfs/dbraw/zinc/14/72/92/188147292.db2.gz YNCPJEVPKGVLGT-UHFFFAOYSA-N 0 0 222.288 2.239 50 0 BEAARN CC(C)c1ncc(C(=O)Nc2cnccn2)s1 ZINC000097146097 188148474 /nfs/dbraw/zinc/14/84/74/188148474.db2.gz OMDLORIITSCFHQ-UHFFFAOYSA-N 0 0 248.311 2.309 50 0 BEAARN CC(C)(C)n1ccc(Br)n1 ZINC000097756638 188148709 /nfs/dbraw/zinc/14/87/09/188148709.db2.gz PNQXXWAGKMRPTK-UHFFFAOYSA-N 0 0 203.083 2.401 50 0 BEAARN Cc1c(N)c(O)ccc1Br ZINC000200782517 188177018 /nfs/dbraw/zinc/17/70/18/188177018.db2.gz MTVPLXGSFJYVQA-UHFFFAOYSA-N 0 0 202.051 2.045 50 0 BEAARN CC(C)[C@H](NC(=O)C1=CCCC1)C(C)(C)O ZINC000225388728 188181875 /nfs/dbraw/zinc/18/18/75/188181875.db2.gz NKPDNZRBOSICSC-NSHDSACASA-N 0 0 225.332 2.008 50 0 BEAARN CCn1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000028575797 188181899 /nfs/dbraw/zinc/18/18/99/188181899.db2.gz GKPYVWKXWHEVNN-PHIMTYICSA-N 0 0 235.331 2.021 50 0 BEAARN c1cn(-c2cc(N[C@@H]3C=CCCC3)ncn2)cn1 ZINC000095411601 188187157 /nfs/dbraw/zinc/18/71/57/188187157.db2.gz CWMUCPQENVXARC-LLVKDONJSA-N 0 0 241.298 2.183 50 0 BEAARN C/C=C/C=C\C(=O)NCc1cccs1 ZINC000096654188 188189046 /nfs/dbraw/zinc/18/90/46/188189046.db2.gz VHAZZHCLBMAKEY-SWBALALESA-N 0 0 207.298 2.497 50 0 BEAARN CC(C)(F)c1nc(-c2cscn2)no1 ZINC000278780396 188204250 /nfs/dbraw/zinc/20/42/50/188204250.db2.gz UHXBXYVFWFKDIH-UHFFFAOYSA-N 0 0 213.237 2.398 50 0 BEAARN CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000280643876 188206089 /nfs/dbraw/zinc/20/60/89/188206089.db2.gz JDUFWFDKBYWJDC-GZMMTYOYSA-N 0 0 227.666 2.471 50 0 BEAARN CC(C)C[C@@H](O)c1cnc(Cl)nc1 ZINC000218801912 353264291 /nfs/dbraw/zinc/26/42/91/353264291.db2.gz MTYRCOQJOGNHQW-MRVPVSSYSA-N 0 0 200.669 2.210 50 0 BEAARN CC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064555438 188224123 /nfs/dbraw/zinc/22/41/23/188224123.db2.gz JSTLZFNNMSCVON-NSHDSACASA-N 0 0 222.288 2.481 50 0 BEAARN O=c1[nH]c([C@H]2CCCS2)nc2ccccc21 ZINC000084585318 538114686 /nfs/dbraw/zinc/11/46/86/538114686.db2.gz PNQIIYCIGUJMEB-SNVBAGLBSA-N 0 0 232.308 2.491 50 0 BEAARN Fc1ccc(/C=C/c2ccnc3ncnn32)cc1 ZINC000004073153 180961528 /nfs/dbraw/zinc/96/15/28/180961528.db2.gz RLUJXPKHISIJOX-ZZXKWVIFSA-N 0 0 240.241 2.434 50 0 BEAARN Fc1ccc(-n2nnc(-c3ccccc3)n2)cc1 ZINC000004858117 180961934 /nfs/dbraw/zinc/96/19/34/180961934.db2.gz BBHOQXOMWJCKFR-UHFFFAOYSA-N 0 0 240.241 2.468 50 0 BEAARN CC(=O)N1CCSC[C@H]1c1ccc(C)o1 ZINC000081346337 538117677 /nfs/dbraw/zinc/11/76/77/538117677.db2.gz BALWWRCKNQPXDG-JTQLQIEISA-N 0 0 225.313 2.224 50 0 BEAARN CCOc1ccccc1-c1nn2cnnc2s1 ZINC000004487568 188457488 /nfs/dbraw/zinc/45/74/88/188457488.db2.gz OHKULYQAWFZRIU-UHFFFAOYSA-N 0 0 246.295 2.252 50 0 BEAARN Cc1ccc2[nH]c(C(=O)N(C)C)cc2c1 ZINC000004702656 188457584 /nfs/dbraw/zinc/45/75/84/188457584.db2.gz WSEZBKFULHDQOM-UHFFFAOYSA-N 0 0 202.257 2.178 50 0 BEAARN CC(=O)c1cnn(-c2cccc(C)c2)c1 ZINC000019087970 188460933 /nfs/dbraw/zinc/46/09/33/188460933.db2.gz MIJZNNXCFVFLMM-UHFFFAOYSA-N 0 0 200.241 2.383 50 0 BEAARN Cc1cccc(NC(=O)c2ccccc2N)n1 ZINC000000106735 188452814 /nfs/dbraw/zinc/45/28/14/188452814.db2.gz IVIARVLADGVLNZ-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN CC(=O)c1c(C)nc(-c2ccccc2)nc1N ZINC000000274667 188453272 /nfs/dbraw/zinc/45/32/72/188453272.db2.gz SSCOMJFZOSOOKU-UHFFFAOYSA-N 0 0 227.267 2.237 50 0 BEAARN Fc1ccccc1CNc1ncccn1 ZINC000020549373 181013397 /nfs/dbraw/zinc/01/33/97/181013397.db2.gz JVNMRKYFWZGBJR-UHFFFAOYSA-N 0 0 203.220 2.228 50 0 BEAARN Fc1ccccc1NC(=S)NC1CC1 ZINC000000453697 181014671 /nfs/dbraw/zinc/01/46/71/181014671.db2.gz HOYGCGYAWKLGEG-UHFFFAOYSA-N 0 0 210.277 2.275 50 0 BEAARN Fc1ccccc1-c1nc2cncnc2[nH]1 ZINC000066340260 181009408 /nfs/dbraw/zinc/00/94/08/181009408.db2.gz WSJXIFBIXREODX-UHFFFAOYSA-N 0 0 214.203 2.159 50 0 BEAARN CC(C)n1cc(NC(=O)c2ccncc2)cn1 ZINC000001428559 353739154 /nfs/dbraw/zinc/73/91/54/353739154.db2.gz ZNFRVIMVHNBDRU-UHFFFAOYSA-N 0 0 230.271 2.111 50 0 BEAARN Fc1ccccc1-n1nnnc1-c1ccccc1 ZINC000018192038 181010765 /nfs/dbraw/zinc/01/07/65/181010765.db2.gz YRZADXHJINNBBG-UHFFFAOYSA-N 0 0 240.241 2.468 50 0 BEAARN Fc1cncc(NCc2ccncc2)c1 ZINC000300847558 181020569 /nfs/dbraw/zinc/02/05/69/181020569.db2.gz HKHHOGULHMQDFG-UHFFFAOYSA-N 0 0 203.220 2.228 50 0 BEAARN Ic1cnc2ccoc2c1 ZINC000035270591 181021919 /nfs/dbraw/zinc/02/19/19/181021919.db2.gz CWYHCZNHNCLALA-UHFFFAOYSA-N 0 0 245.019 2.432 50 0 BEAARN c1[nH]nc2ncnc(NC3CCCCCC3)c12 ZINC000012759124 353851095 /nfs/dbraw/zinc/85/10/95/353851095.db2.gz QICGDWYCSBSYGH-UHFFFAOYSA-N 0 0 231.303 2.488 50 0 BEAARN O=C(CC1CCC1)N1CCC(CF)CC1 ZINC000334532786 353911625 /nfs/dbraw/zinc/91/16/25/353911625.db2.gz VFQMGNIVTIAQBX-UHFFFAOYSA-N 0 0 213.296 2.385 50 0 BEAARN CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264315548 188549721 /nfs/dbraw/zinc/54/97/21/188549721.db2.gz UERXIFUAQCAOJP-LLVKDONJSA-N 0 0 207.248 2.162 50 0 BEAARN CC[C@@H]1CCCN(c2nc(C)ns2)C1 ZINC000170642749 363326495 /nfs/dbraw/zinc/32/64/95/363326495.db2.gz YTHWIDXXLHRDHG-SECBINFHSA-N 0 0 211.334 2.473 50 0 BEAARN Cc1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1C ZINC000001317787 363312557 /nfs/dbraw/zinc/31/25/57/363312557.db2.gz SXXDGVNRRNESAY-SNVBAGLBSA-N 0 0 236.296 2.024 50 0 BEAARN O=c1ccncn1CC1CCC(F)(F)CC1 ZINC000334576580 354109655 /nfs/dbraw/zinc/10/96/55/354109655.db2.gz HRIIHAAXCOHUNB-UHFFFAOYSA-N 0 0 228.242 2.069 50 0 BEAARN CCC(=O)NN1CCC(C(C)(C)C)CC1 ZINC000252480849 363367675 /nfs/dbraw/zinc/36/76/75/363367675.db2.gz CEXUHZGDOHBMFH-UHFFFAOYSA-N 0 0 212.337 2.186 50 0 BEAARN C[C@@H](CNC(=O)C1CC1)N(C)c1ccccc1 ZINC000046950959 354379786 /nfs/dbraw/zinc/37/97/86/354379786.db2.gz JDWXLABXSUTCGU-NSHDSACASA-N 0 0 232.327 2.038 50 0 BEAARN Cc1cnc(NC(=O)[C@@H](C)C(C)(F)F)o1 ZINC000334809014 354565431 /nfs/dbraw/zinc/56/54/31/354565431.db2.gz XSZOPOJWDHKMMI-ZCFIWIBFSA-N 0 0 218.203 2.213 50 0 BEAARN Cc1cnc(NC(=O)[C@H](C)C(C)(F)F)o1 ZINC000334809002 354565946 /nfs/dbraw/zinc/56/59/46/354565946.db2.gz XSZOPOJWDHKMMI-LURJTMIESA-N 0 0 218.203 2.213 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@@H](C)C(C)(C)C)cn1 ZINC000032788185 354580595 /nfs/dbraw/zinc/58/05/95/354580595.db2.gz USMPOWLCVQMSPV-JTQLQIEISA-N 0 0 235.331 2.292 50 0 BEAARN Cc1ccc(CN(C)C(=O)c2ccncc2)o1 ZINC000033024028 354595091 /nfs/dbraw/zinc/59/50/91/354595091.db2.gz FILGJBSQWZEWCK-UHFFFAOYSA-N 0 0 230.267 2.255 50 0 BEAARN CC(C)CCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000033019055 354595201 /nfs/dbraw/zinc/59/52/01/354595201.db2.gz ONXLUFBXQPCDMI-GHMZBOCLSA-N 0 0 213.321 2.058 50 0 BEAARN O=C(NCC1CC1)N[C@H]1CCc2ccccc21 ZINC000032909457 354596501 /nfs/dbraw/zinc/59/65/01/354596501.db2.gz BOLNATMITDWSSH-ZDUSSCGKSA-N 0 0 230.311 2.383 50 0 BEAARN O=C(Nc1cc2c(cc1F)CCC(=O)N2)C1CC1 ZINC000033217642 354597832 /nfs/dbraw/zinc/59/78/32/354597832.db2.gz MQJXQWXGVFSYOV-UHFFFAOYSA-N 0 0 248.257 2.059 50 0 BEAARN Cn1nccc1-c1cc(Cl)ccc1N ZINC000075068850 363382270 /nfs/dbraw/zinc/38/22/70/363382270.db2.gz ZJQKOVFEUXKQHH-UHFFFAOYSA-N 0 0 207.664 2.323 50 0 BEAARN CC1(C)OC(c2ccc(Cl)cc2)=NC1=O ZINC000005423791 363394039 /nfs/dbraw/zinc/39/40/39/363394039.db2.gz MFJKDUBZFTXCKX-UHFFFAOYSA-N 0 0 223.659 2.422 50 0 BEAARN Cc1occc1C(=O)NCc1ccc(C)nc1 ZINC000040539884 358494828 /nfs/dbraw/zinc/49/48/28/358494828.db2.gz AJJANXIKKGCYHR-UHFFFAOYSA-N 0 0 230.267 2.221 50 0 BEAARN CC(C)COc1ncc(Cl)cc1O ZINC000261493545 191329802 /nfs/dbraw/zinc/32/98/02/191329802.db2.gz DGFZXKFGEWBOJN-UHFFFAOYSA-N 0 0 201.653 2.475 50 0 BEAARN CCCCC[C@H](C)NC(=O)[C@H]1CCOC1 ZINC000069314098 168742795 /nfs/dbraw/zinc/74/27/95/168742795.db2.gz SRRBAGXXJFANTJ-QWRGUYRKSA-N 0 0 213.321 2.108 50 0 BEAARN Cc1occc1C(=O)N[C@H](C)c1ccccn1 ZINC000028782608 355356328 /nfs/dbraw/zinc/35/63/28/355356328.db2.gz GYSGWOOJWQAPPI-SECBINFHSA-N 0 0 230.267 2.474 50 0 BEAARN Cc1occc1C(=O)N[C@@H](C)c1ccccn1 ZINC000028782613 355356940 /nfs/dbraw/zinc/35/69/40/355356940.db2.gz GYSGWOOJWQAPPI-VIFPVBQESA-N 0 0 230.267 2.474 50 0 BEAARN CC(C)C(=O)NC1CC(C(F)(F)F)C1 ZINC000335803216 355472679 /nfs/dbraw/zinc/47/26/79/355472679.db2.gz QXTHQYBYKHHCEB-UHFFFAOYSA-N 0 0 209.211 2.100 50 0 BEAARN CCCCC[C@@H](C)NC(=O)[C@H]1CCCO1 ZINC000006042419 355529948 /nfs/dbraw/zinc/52/99/48/355529948.db2.gz HUOJFXFCPQZHQO-GHMZBOCLSA-N 0 0 213.321 2.250 50 0 BEAARN N=C1NC(=O)[C@@H](Cc2ccccc2Cl)S1 ZINC000018209146 181207371 /nfs/dbraw/zinc/20/73/71/181207371.db2.gz ZFPRPVGUXSGASP-MRVPVSSYSA-N 0 0 240.715 2.049 50 0 BEAARN O=C([O-])[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000008699068 355712953 /nfs/dbraw/zinc/71/29/53/355712953.db2.gz XRYRJXQJSTWFDB-NSHDSACASA-N 0 0 211.305 2.116 50 0 in-vitro BEAARN Cc1ccsc1CN(C)C(=O)[C@@H]1CCCO1 ZINC000047532016 355760454 /nfs/dbraw/zinc/76/04/54/355760454.db2.gz CJRBCSVVXXKTHU-JTQLQIEISA-N 0 0 239.340 2.194 50 0 BEAARN N=c1oc2ccc(Cl)cc2cc1C(N)=S ZINC000005257834 181211479 /nfs/dbraw/zinc/21/14/79/181211479.db2.gz AYZRHCNYWBHHLJ-UHFFFAOYSA-N 0 0 238.699 2.200 50 0 BEAARN NC(=O)CCCCSc1cccs1 ZINC000096409140 181221705 /nfs/dbraw/zinc/22/17/05/181221705.db2.gz YTHLWWMQAUUNQA-UHFFFAOYSA-N 0 0 215.343 2.496 50 0 BEAARN NC(=O)CSc1ccc2ccccc2c1 ZINC000002849114 181239876 /nfs/dbraw/zinc/23/98/76/181239876.db2.gz XMNWGYAHESUGCX-UHFFFAOYSA-N 0 0 217.293 2.417 50 0 BEAARN NC(=O)CSCc1ccccc1Cl ZINC000000567311 181239987 /nfs/dbraw/zinc/23/99/87/181239987.db2.gz KHZMVMFMTCPNQD-UHFFFAOYSA-N 0 0 215.705 2.059 50 0 BEAARN CCCCN(C)C(=O)Cc1ccc2c(c1)CCO2 ZINC000055471262 168760010 /nfs/dbraw/zinc/76/00/10/168760010.db2.gz JCPVTDFXOQEJKC-UHFFFAOYSA-N 0 0 247.338 2.423 50 0 BEAARN Cc1nccc(N2CCC(C(F)F)CC2)n1 ZINC000336083561 134076152 /nfs/dbraw/zinc/07/61/52/134076152.db2.gz CNLWWOYQCZTGSV-UHFFFAOYSA-N 0 0 227.258 2.267 50 0 BEAARN NC(=O)NOCc1ccc(Cl)c(Cl)c1 ZINC000001384839 181260633 /nfs/dbraw/zinc/26/06/33/181260633.db2.gz YFVWOCCXPDDVER-UHFFFAOYSA-N 0 0 235.070 2.093 50 0 BEAARN NC(=O)[C@@H]1CC12c1ccccc1-c1ccccc12 ZINC000000191546 181266504 /nfs/dbraw/zinc/26/65/04/181266504.db2.gz MPMDIZDEKJRYPZ-AWEZNQCLSA-N 0 0 235.286 2.458 50 0 BEAARN CCSNC(=O)NCc1ccccc1 ZINC000004542413 356362582 /nfs/dbraw/zinc/36/25/82/356362582.db2.gz AEMFDRAXEACPGR-UHFFFAOYSA-N 0 0 210.302 2.154 50 0 BEAARN O=S1(=O)Cc2cc3ccccc3cc21 ZINC000045027599 356371985 /nfs/dbraw/zinc/37/19/85/356371985.db2.gz BDIOCWNWJUITNE-UHFFFAOYSA-N 0 0 204.250 2.127 50 0 BEAARN COC(=O)[C@@H]1CC23CC=CCC2(CC=CC3)C1=O ZINC000045028070 356372044 /nfs/dbraw/zinc/37/20/44/356372044.db2.gz YYEFIZPRSWGLAO-VCANKDNSSA-N 0 0 246.306 2.421 50 0 BEAARN O=C1CC23C=CC(C=C2)c2ccccc2[C@H]3N1 ZINC000045027814 356372070 /nfs/dbraw/zinc/37/20/70/356372070.db2.gz DQMPAYYFPBIXKO-CIQACWJJSA-N 0 0 223.275 2.457 50 0 BEAARN C[C@]12C=C[C@](C)(CCCC1)S2(=O)=O ZINC000045027852 356372199 /nfs/dbraw/zinc/37/21/99/356372199.db2.gz XPURMCCDSCCZRX-AOOOYVTPSA-N 0 0 200.303 2.062 50 0 BEAARN COC(=O)C[C@@H]1C(=O)[C@H]2C[C@H](C2(C)C)C1(C)C ZINC000071786464 356374244 /nfs/dbraw/zinc/37/42/44/356374244.db2.gz DUUZWEIZCMFTKI-OPRDCNLKSA-N 0 0 238.327 2.437 50 0 BEAARN NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072406711 181273873 /nfs/dbraw/zinc/27/38/73/181273873.db2.gz XHMBCMXTJYWXHQ-DTWKUNHWSA-N 0 0 229.201 2.294 50 0 BEAARN CC(=O)N1CCc2cc3ccccc3nc21 ZINC000015841726 356404023 /nfs/dbraw/zinc/40/40/23/356404023.db2.gz YZGZEAGIIQLCAQ-UHFFFAOYSA-N 0 0 212.252 2.144 50 0 BEAARN CCCCN(C)C(=O)[C@H]1COc2ccccc2C1 ZINC000015786089 168764386 /nfs/dbraw/zinc/76/43/86/168764386.db2.gz SQDQANZGIPPDMO-CYBMUJFWSA-N 0 0 247.338 2.496 50 0 BEAARN Cn1cccc1CN(C(=O)c1ccco1)C1CC1 ZINC000035277313 356467810 /nfs/dbraw/zinc/46/78/10/356467810.db2.gz UGFHDUADIGWDMK-UHFFFAOYSA-N 0 0 244.294 2.423 50 0 BEAARN NC(=O)c1c(N)scc1C1CCCCC1 ZINC000100619415 181286117 /nfs/dbraw/zinc/28/61/17/181286117.db2.gz QPTKUNNXALYEEG-UHFFFAOYSA-N 0 0 224.329 2.477 50 0 BEAARN CC[C@@H](C)NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000012891737 356525862 /nfs/dbraw/zinc/52/58/62/356525862.db2.gz WMSAJLYXXMAPRW-MRVPVSSYSA-N 0 0 248.326 2.370 50 0 BEAARN Cc1nc(CC(=O)Nc2ncccc2C)cs1 ZINC000023114638 356633032 /nfs/dbraw/zinc/63/30/32/356633032.db2.gz BTDZPCMHXHMIOE-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN CN(Cc1ccns1)Cc1cncs1 ZINC000630095464 363554976 /nfs/dbraw/zinc/55/49/76/363554976.db2.gz WHTZLRHBDIRSHF-UHFFFAOYSA-N 0 0 225.342 2.232 50 0 BEAARN Cc1c2ncoc2ncc1Br ZINC000026460289 356669356 /nfs/dbraw/zinc/66/93/56/356669356.db2.gz YXFZMDPHFPADRA-UHFFFAOYSA-N 0 0 213.034 2.294 50 0 BEAARN Cc1cc(N(C)Cc2ccco2)nc(C)n1 ZINC000032908931 356699016 /nfs/dbraw/zinc/69/90/16/356699016.db2.gz MQPIZHBSAXHPRJ-UHFFFAOYSA-N 0 0 217.272 2.323 50 0 BEAARN COC(=O)[C@H]1O[C@]1(C)c1cccc(Cl)c1 ZINC000085657582 538544759 /nfs/dbraw/zinc/54/47/59/538544759.db2.gz DRJTWSSWHQHRLH-MWLCHTKSSA-N 0 0 226.659 2.127 50 0 BEAARN Cc1cc(N[C@H](C)CO)nc2ccccc12 ZINC000089600774 538581672 /nfs/dbraw/zinc/58/16/72/538581672.db2.gz RUJXIYLYASMXCR-SNVBAGLBSA-N 0 0 216.284 2.336 50 0 BEAARN Cc1ccc(N(C)Cc2nncn2C)c(C)c1 ZINC000089613907 538581733 /nfs/dbraw/zinc/58/17/33/538581733.db2.gz VNONTPTXZZYTJH-UHFFFAOYSA-N 0 0 230.315 2.068 50 0 BEAARN CC(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000095396018 538607547 /nfs/dbraw/zinc/60/75/47/538607547.db2.gz CCNFXXIJYCOFEF-UHFFFAOYSA-N 0 0 237.259 2.303 50 0 BEAARN Cc1cc(C(=O)N2CC[C@]3(CCOC3)C2)oc1C ZINC000089606837 538582464 /nfs/dbraw/zinc/58/24/64/538582464.db2.gz GHFILLIQJLFBQR-AWEZNQCLSA-N 0 0 249.310 2.149 50 0 BEAARN O=C(c1cccnc1)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000089793922 538583236 /nfs/dbraw/zinc/58/32/36/538583236.db2.gz MEVOERMGEUBWFW-CHWSQXEVSA-N 0 0 228.295 2.120 50 0 BEAARN O=c1ccnc(C=Cc2ccc(F)cc2F)[nH]1 ZINC000089769554 538584374 /nfs/dbraw/zinc/58/43/74/538584374.db2.gz VINARUFOTPEPQA-DUXPYHPUSA-N 0 0 234.205 2.219 50 0 BEAARN O=C([C@@H]1CCCOC1)N1CC[C@H]2CCCC[C@@H]21 ZINC000089818693 538585068 /nfs/dbraw/zinc/58/50/68/538585068.db2.gz VXMDLWLMHWTWQH-UPJWGTAASA-N 0 0 237.343 2.204 50 0 BEAARN C[C@H]1CC[C@@H](C(=O)N2CCCCCCC2)O1 ZINC000089922817 538586789 /nfs/dbraw/zinc/58/67/89/538586789.db2.gz BWYZGCWZGPBRDJ-RYUDHWBXSA-N 0 0 225.332 2.347 50 0 BEAARN O=C(c1ccncc1)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089884915 538586840 /nfs/dbraw/zinc/58/68/40/538586840.db2.gz FIIULBQPRHNAFY-STQMWFEESA-N 0 0 228.295 2.120 50 0 BEAARN CC1(C)CC[C@H](C(N)=O)c2ccccc21 ZINC000095348533 538602928 /nfs/dbraw/zinc/60/29/28/538602928.db2.gz PYXLNYNUSZVTNW-JTQLQIEISA-N 0 0 203.285 2.327 50 0 BEAARN C[C@H](OC1CCCCC1)C(=O)N1CCCC1 ZINC000095397170 538606488 /nfs/dbraw/zinc/60/64/88/538606488.db2.gz PBDXDKXDZAMASC-NSHDSACASA-N 0 0 225.332 2.347 50 0 BEAARN CC(C)C[C@@H](C)S(=O)(=O)N1CCCCC1 ZINC000095397127 538606544 /nfs/dbraw/zinc/60/65/44/538606544.db2.gz AXDFCNNPCMQDND-LLVKDONJSA-N 0 0 233.377 2.237 50 0 BEAARN O=C(Nc1cc(O)cc(F)c1)C1=CCCCO1 ZINC000095450282 538607043 /nfs/dbraw/zinc/60/70/43/538607043.db2.gz NFSRMOFUVRSWLM-UHFFFAOYSA-N 0 0 237.230 2.164 50 0 BEAARN C[C@H]1SCCN(C(N)=O)[C@@H]1c1ccccc1 ZINC000095960287 538610765 /nfs/dbraw/zinc/61/07/65/538610765.db2.gz VQTPZQUOSPWKSB-KOLCDFICSA-N 0 0 236.340 2.244 50 0 BEAARN CC(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC000095983608 538612443 /nfs/dbraw/zinc/61/24/43/538612443.db2.gz OEPRVBAROVTNAF-UHFFFAOYSA-N 0 0 227.267 2.026 50 0 BEAARN Cc1cnc(C(C)(C)[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000095991504 538614519 /nfs/dbraw/zinc/61/45/19/538614519.db2.gz NGEQHHPEIGRNDF-NXEZZACHSA-N 0 0 240.372 2.454 50 0 BEAARN CCCCc1cc(NC(=O)[C@@H]2CCCO2)on1 ZINC000075092676 356817568 /nfs/dbraw/zinc/81/75/68/356817568.db2.gz XTMKVZORLSCVEL-JTQLQIEISA-N 0 0 238.287 2.135 50 0 BEAARN O=C1C(=Cc2ccco2)CCC1=C1NCCN1 ZINC000098054102 538720058 /nfs/dbraw/zinc/72/00/58/538720058.db2.gz CIDKCCRMGGBCIM-HJWRWDBZSA-N 0 0 230.267 2.271 50 0 BEAARN CC1(C)NC(=O)N(C/C=C\c2ccccc2)C1=O ZINC000098053281 538720080 /nfs/dbraw/zinc/72/00/80/538720080.db2.gz GEHPJRAPYINDFX-TWGQIWQCSA-N 0 0 244.294 2.030 50 0 BEAARN CO[C@@]12C=C[C@@H](c3ccccc31)C1(C2)OCCO1 ZINC000075261042 356924139 /nfs/dbraw/zinc/92/41/39/356924139.db2.gz ACEQMASHTDVHLQ-UONOGXRCSA-N 0 0 244.290 2.329 50 0 BEAARN COC(=O)[C@@H](C)N(C(C)=O)c1c(C)cccc1C ZINC000075260385 356927707 /nfs/dbraw/zinc/92/77/07/356927707.db2.gz SQSRTKOJNAFFCW-LLVKDONJSA-N 0 0 249.310 2.218 50 0 BEAARN O=C(CC1=CCCC1)NCc1ccco1 ZINC000075272415 356933494 /nfs/dbraw/zinc/93/34/94/356933494.db2.gz AVGLVKBTUBLIEN-UHFFFAOYSA-N 0 0 205.257 2.396 50 0 BEAARN Clc1cccc(Oc2cccnn2)n1 ZINC000075278185 356937701 /nfs/dbraw/zinc/93/77/01/356937701.db2.gz GRHGXADOZSTFMN-UHFFFAOYSA-N 0 0 207.620 2.317 50 0 BEAARN COc1ccc(/C=C2/CCCOC2=O)cc1 ZINC000075279064 356938001 /nfs/dbraw/zinc/93/80/01/356938001.db2.gz TZQCWGJVIDIVCF-LUAWRHEFSA-N 0 0 218.252 2.416 50 0 BEAARN CC(C)[C@@H]1N=C(c2ccccc2)OC1=O ZINC000001585532 356980062 /nfs/dbraw/zinc/98/00/62/356980062.db2.gz KSSKJTXJMKNHPG-JTQLQIEISA-N 0 0 203.241 2.015 50 0 BEAARN Cc1cc(C)cc(C(=O)NC2CCC(O)CC2)c1 ZINC000012919866 538778568 /nfs/dbraw/zinc/77/85/68/538778568.db2.gz HTDLQPJYOWWWRT-UHFFFAOYSA-N 0 0 247.338 2.337 50 0 BEAARN CC(C)CNC(=O)[C@H]1Cc2ccccc2S1 ZINC000012921926 538778815 /nfs/dbraw/zinc/77/88/15/538778815.db2.gz WCGHMGJSMRFGOT-GFCCVEGCSA-N 0 0 235.352 2.476 50 0 BEAARN CCN(Cc1noc(C(C)C)n1)C1CC1 ZINC000053607476 357075654 /nfs/dbraw/zinc/07/56/54/357075654.db2.gz YFNAEANBQIXJRK-UHFFFAOYSA-N 0 0 209.293 2.177 50 0 BEAARN C[C@H](NC(=O)NC1CC1)c1cccc(F)c1 ZINC000012977677 538780820 /nfs/dbraw/zinc/78/08/20/538780820.db2.gz SPPZXQNQUUFSNT-QMMMGPOBSA-N 0 0 222.263 2.348 50 0 BEAARN O=C(c1ccc(F)c(F)c1)N1CC(C(F)F)C1 ZINC000585392174 538798231 /nfs/dbraw/zinc/79/82/31/538798231.db2.gz XMWIHQQVVODDCK-UHFFFAOYSA-N 0 0 247.191 2.302 50 0 BEAARN COC(=O)c1cncn1Cc1ccc(C)cc1 ZINC000015830836 538878187 /nfs/dbraw/zinc/87/81/87/538878187.db2.gz WZUKJRCWCOKJDE-UHFFFAOYSA-N 0 0 230.267 2.026 50 0 BEAARN Nc1cn(CCCOCc2ccccc2)cn1 ZINC000685951393 538894648 /nfs/dbraw/zinc/89/46/48/538894648.db2.gz KHGVJFPRZWGFRX-UHFFFAOYSA-N 0 0 231.299 2.072 50 0 BEAARN Cc1c([C@@H](C)NC(=O)[C@H]2CC=CCC2)cnn1C ZINC000025001339 357740408 /nfs/dbraw/zinc/74/04/08/357740408.db2.gz ZRIWVJQQFSTCRO-PWSUYJOCSA-N 0 0 247.342 2.262 50 0 BEAARN NC(=O)c1ccc(Br)cc1Cl ZINC000037367592 181293344 /nfs/dbraw/zinc/29/33/44/181293344.db2.gz ORFWVGHYCXGUHS-UHFFFAOYSA-N 0 0 234.480 2.201 50 0 BEAARN Cc1onc(-c2ccccn2)c1C(=O)NC(C)C ZINC000035537891 357993941 /nfs/dbraw/zinc/99/39/41/357993941.db2.gz CMIROWVLUATDDU-UHFFFAOYSA-N 0 0 245.282 2.183 50 0 BEAARN CC(C)(C)NC(=O)NCCc1ccsc1 ZINC000049343538 358075674 /nfs/dbraw/zinc/07/56/74/358075674.db2.gz KYRXDYGEKONVTQ-UHFFFAOYSA-N 0 0 226.345 2.388 50 0 BEAARN CC(C)(C)OC(=O)NC[C@H]1CCCCC1=O ZINC000071372436 491121695 /nfs/dbraw/zinc/12/16/95/491121695.db2.gz URNWDOSTYDPAKR-SECBINFHSA-N 0 0 227.304 2.270 50 0 BEAARN NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002527755 181295777 /nfs/dbraw/zinc/29/57/77/181295777.db2.gz PIYDLRBTABXQSP-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN CC(C)(C(=O)N1CCC[C@@H]1CF)C(F)F ZINC000334664316 358222876 /nfs/dbraw/zinc/22/28/76/358222876.db2.gz RWCANQWCEYILQP-SSDOTTSWSA-N 0 0 223.238 2.238 50 0 BEAARN CC(C)c1nc(CN2CCOC[C@@H]2C)cs1 ZINC000051687523 358758045 /nfs/dbraw/zinc/75/80/45/358758045.db2.gz CQUJYUGXKDPVGA-JTQLQIEISA-N 0 0 240.372 2.487 50 0 BEAARN CCCCS(=O)(=O)NC1CCCCC1 ZINC000001845251 358969160 /nfs/dbraw/zinc/96/91/60/358969160.db2.gz MBMOGJGVYAHBLN-UHFFFAOYSA-N 0 0 219.350 2.039 50 0 BEAARN CC(C)CSCC(=O)Nc1cccnc1 ZINC000040523674 359285836 /nfs/dbraw/zinc/28/58/36/359285836.db2.gz URXMCGGNJFRIKN-UHFFFAOYSA-N 0 0 224.329 2.409 50 0 BEAARN CC(C)[C@H](C)Sc1ncnc2n[nH]cc21 ZINC000089791246 360041647 /nfs/dbraw/zinc/04/16/47/360041647.db2.gz XZHDASDCTQVECR-ZETCQYMHSA-N 0 0 222.317 2.490 50 0 BEAARN Cc1cc(CN2CCCC[C@@H]2c2ncc[nH]2)no1 ZINC000095422793 360336901 /nfs/dbraw/zinc/33/69/01/360336901.db2.gz JCKQUDUKVOYQHP-GFCCVEGCSA-N 0 0 246.314 2.433 50 0 BEAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCS2)C1 ZINC000095404066 360337152 /nfs/dbraw/zinc/33/71/52/360337152.db2.gz ASXBGDCXNBEYGB-AXFHLTTASA-N 0 0 227.373 2.387 50 0 BEAARN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000095973274 360342194 /nfs/dbraw/zinc/34/21/94/360342194.db2.gz RORHUVKMKCVVSE-AVGNSLFASA-N 0 0 237.343 2.105 50 0 BEAARN NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000002382123 181300741 /nfs/dbraw/zinc/30/07/41/181300741.db2.gz YXCMBXHASVZXLT-UHFFFAOYSA-N 0 0 239.580 2.338 50 0 BEAARN CCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000006726583 360681213 /nfs/dbraw/zinc/68/12/13/360681213.db2.gz YDPGKKSSJWPHCV-QWRGUYRKSA-N 0 0 233.377 2.285 50 0 BEAARN CCN(C(=O)NC1CC1)c1ccccc1 ZINC000036179001 360703664 /nfs/dbraw/zinc/70/36/64/360703664.db2.gz RFKRMXMWJYXRPW-UHFFFAOYSA-N 0 0 204.273 2.385 50 0 BEAARN NC(=O)c1cccnc1Nc1ccccc1F ZINC000000481292 181307585 /nfs/dbraw/zinc/30/75/85/181307585.db2.gz SVZJHCAXCIVKGK-UHFFFAOYSA-N 0 0 231.230 2.063 50 0 BEAARN CC(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1 ZINC000071902928 200661093 /nfs/dbraw/zinc/66/10/93/200661093.db2.gz FAINOKJHGNPYSO-OLZOCXBDSA-N 0 0 219.284 2.123 50 0 BEAARN CCN(CC)C(=O)c1cccc(NC(C)=O)c1 ZINC000006787958 360790526 /nfs/dbraw/zinc/79/05/26/360790526.db2.gz FJLNGZDMXFPNFL-UHFFFAOYSA-N 0 0 234.299 2.127 50 0 BEAARN Cc1cc(C(=O)NCCCn2ccnc2)cs1 ZINC000006793094 360853814 /nfs/dbraw/zinc/85/38/14/360853814.db2.gz ANFJSFHFNPHMRT-UHFFFAOYSA-N 0 0 249.339 2.073 50 0 BEAARN NC(=S)COc1ccc(F)cc1Cl ZINC000012336458 181316240 /nfs/dbraw/zinc/31/62/40/181316240.db2.gz XREVONDNEQDDQV-UHFFFAOYSA-N 0 0 219.668 2.144 50 0 BEAARN NC(=S)Nc1ccccc1OC(F)(F)F ZINC000000102765 181319463 /nfs/dbraw/zinc/31/94/63/181319463.db2.gz HYKOSRYWIURWQI-UHFFFAOYSA-N 0 0 236.218 2.241 50 0 BEAARN NC(=S)c1ccc(Br)cc1F ZINC000016082653 181320245 /nfs/dbraw/zinc/32/02/45/181320245.db2.gz GNDSJPDFKJKCCL-UHFFFAOYSA-N 0 0 234.093 2.222 50 0 BEAARN Cc1csc(CNC(=O)c2ccsc2)n1 ZINC000036397820 361083939 /nfs/dbraw/zinc/08/39/39/361083939.db2.gz JUYBLMGWDKDLPS-UHFFFAOYSA-N 0 0 238.337 2.443 50 0 BEAARN Cc1cccc(C(=O)O[C@H]2CCCC[C@@H]2O)c1 ZINC000006924221 361140337 /nfs/dbraw/zinc/14/03/37/361140337.db2.gz JPURYESJVOFUNF-STQMWFEESA-N 0 0 234.295 2.455 50 0 BEAARN CC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041194557 361448137 /nfs/dbraw/zinc/44/81/37/361448137.db2.gz IBDMIFOARPMDBY-QWRGUYRKSA-N 0 0 225.332 2.203 50 0 BEAARN CO[C@@H]1CCCN(C(=O)Nc2cccs2)C1 ZINC000238978330 361521631 /nfs/dbraw/zinc/52/16/31/361521631.db2.gz ZZFWWBLGOVYIHA-SECBINFHSA-N 0 0 240.328 2.391 50 0 BEAARN CCOc1ccccc1CSc1nc[nH]n1 ZINC000007603904 363924333 /nfs/dbraw/zinc/92/43/33/363924333.db2.gz KKLHGDKMMFRQCA-UHFFFAOYSA-N 0 0 235.312 2.496 50 0 BEAARN COCc1ccc([C@@H]2CCCN2C(=O)C2CC2)o1 ZINC000097147889 541325160 /nfs/dbraw/zinc/32/51/60/541325160.db2.gz WXCXOJBKMHVYJQ-LBPRGKRZSA-N 0 0 249.310 2.500 50 0 BEAARN CC(C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000007770293 364234732 /nfs/dbraw/zinc/23/47/32/364234732.db2.gz UCTMPVLVJKMOJO-UHFFFAOYSA-N 0 0 234.299 2.160 50 0 BEAARN Nc1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000011847727 370767470 /nfs/dbraw/zinc/76/74/70/370767470.db2.gz LOFAPHIXVJRFAQ-UHFFFAOYSA-N 0 0 238.290 2.472 50 0 BEAARN [NH3+]CCC12C[C@H]3C[C@@H](C1)CC(C(=O)[O-])(C3)C2 ZINC000000053640 181370705 /nfs/dbraw/zinc/37/07/05/181370705.db2.gz HTMFVRGUJSJMSP-ASZHBFLOSA-N 0 0 223.316 2.006 50 0 BEAARN CC[C@@]1(C(=O)OC)OC12CCCCCC2 ZINC000669384150 541437327 /nfs/dbraw/zinc/43/73/27/541437327.db2.gz OVLWISIQKHWEON-LBPRGKRZSA-N 0 0 212.289 2.431 50 0 BEAARN CC1(C)CCC[C@](O)(CNC(=O)C2CCC2)C1 ZINC000225484065 370856608 /nfs/dbraw/zinc/85/66/08/370856608.db2.gz NXWAZPKEWQTWKF-CQSZACIVSA-N 0 0 239.359 2.234 50 0 BEAARN O=C(N[C@H]1CCSC1)c1cccc(F)c1 ZINC000081053140 370847663 /nfs/dbraw/zinc/84/76/63/370847663.db2.gz XUKVWHVDLBOHKR-JTQLQIEISA-N 0 0 225.288 2.061 50 0 BEAARN CSCC(=O)N(C)c1ccccc1F ZINC000195524549 367366512 /nfs/dbraw/zinc/36/65/12/367366512.db2.gz DTGWRAGCXNDMHL-UHFFFAOYSA-N 0 0 213.277 2.152 50 0 BEAARN Cc1cc(=O)cc(C)n1-c1ccccc1O ZINC000000168109 368053839 /nfs/dbraw/zinc/05/38/39/368053839.db2.gz IHMAONBDZHPOKF-UHFFFAOYSA-N 0 0 215.252 2.160 50 0 BEAARN Nc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1 ZINC000000806265 368062184 /nfs/dbraw/zinc/06/21/84/368062184.db2.gz NBTVGCBUIHOGOQ-UHFFFAOYSA-N 0 0 237.262 2.172 50 0 BEAARN Cc1cc(=O)[nH]c(NN=C2CCCC[C@@H]2C)n1 ZINC000017352426 368371669 /nfs/dbraw/zinc/37/16/69/368371669.db2.gz ARUSYOXABALNOD-QMMMGPOBSA-N 0 0 234.303 2.056 50 0 BEAARN CSc1ncc(Br)c(C)n1 ZINC000088314903 368381072 /nfs/dbraw/zinc/38/10/72/368381072.db2.gz WCDRTOTWPGVKIU-UHFFFAOYSA-N 0 0 219.107 2.269 50 0 BEAARN Cc1oc(-c2ccccc2[N+](=O)[O-])[n+]([O-])c1C ZINC000095837033 368382928 /nfs/dbraw/zinc/38/29/28/368382928.db2.gz KQAZNNRWXVRUQO-UHFFFAOYSA-N 0 0 234.211 2.105 50 0 BEAARN CC(C)(C)C1=NS(=O)(=O)c2ccccc21 ZINC000136717873 368389647 /nfs/dbraw/zinc/38/96/47/368389647.db2.gz KXZPGOCWFHIJSM-UHFFFAOYSA-N 0 0 223.297 2.224 50 0 BEAARN CC(=O)Nc1ccc(-c2noc(C)n2)cc1 ZINC000219037091 368401472 /nfs/dbraw/zinc/40/14/72/368401472.db2.gz YVZVXULQNDINJO-UHFFFAOYSA-N 0 0 217.228 2.003 50 0 BEAARN C/C=C/CC(=O)N(C)Cc1cc(C2CC2)on1 ZINC000584901019 369047148 /nfs/dbraw/zinc/04/71/48/369047148.db2.gz LJRDZJROMINREI-ONEGZZNKSA-N 0 0 234.299 2.477 50 0 BEAARN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)C ZINC000012913975 370985441 /nfs/dbraw/zinc/98/54/41/370985441.db2.gz SRXIPKPJWCBWKX-SNVBAGLBSA-N 0 0 233.311 2.031 50 0 BEAARN Cc1cc(-c2ccnc(N)n2)c(C)s1 ZINC000012953951 370989891 /nfs/dbraw/zinc/98/98/91/370989891.db2.gz PJLNDILJQHALHH-UHFFFAOYSA-N 0 0 205.286 2.404 50 0 BEAARN CCOC(=O)C=C([O-])c1ccnc2ccccc21 ZINC000514278267 369727813 /nfs/dbraw/zinc/72/78/13/369727813.db2.gz SKERXAJTGRRJTA-UHFFFAOYSA-N 0 0 243.262 2.371 50 0 BEAARN CCCC(=O)NC(=O)N[C@H](C)c1ccccc1 ZINC000002408671 370618778 /nfs/dbraw/zinc/61/87/78/370618778.db2.gz SBBLVXVTLKVZTE-SNVBAGLBSA-N 0 0 234.299 2.374 50 0 BEAARN CCCc1ncc(C(=O)O[C@H]2CCOC2)s1 ZINC000078948254 371158248 /nfs/dbraw/zinc/15/82/48/371158248.db2.gz YJNGKQVLUIEZEY-QMMMGPOBSA-N 0 0 241.312 2.041 50 0 BEAARN CCc1cnc(NC(=O)c2ccccn2)s1 ZINC000079836019 371227860 /nfs/dbraw/zinc/22/78/60/371227860.db2.gz GGZIGRZHICYLLI-UHFFFAOYSA-N 0 0 233.296 2.353 50 0 BEAARN CC(C)CCc1csc(CS(C)(=O)=O)n1 ZINC000095410992 371281156 /nfs/dbraw/zinc/28/11/56/371281156.db2.gz GQYQPZKYOQSKOR-UHFFFAOYSA-N 0 0 247.385 2.276 50 0 BEAARN Nc1c(F)cccc1I ZINC000003880145 181669755 /nfs/dbraw/zinc/66/97/55/181669755.db2.gz KSOZSTHDPDAMKI-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN Cc1noc2ncnc(NCCC(C)C)c12 ZINC000020941897 371355145 /nfs/dbraw/zinc/35/51/45/371355145.db2.gz SNQHKNCFYOLOLP-UHFFFAOYSA-N 0 0 220.276 2.384 50 0 BEAARN Nc1cc(F)ccc1OCc1ccncc1 ZINC000015937421 181688110 /nfs/dbraw/zinc/68/81/10/181688110.db2.gz LLDRXMIRGZIOKU-UHFFFAOYSA-N 0 0 218.231 2.382 50 0 BEAARN CC[C@@H](NCc1ncc(C)o1)[C@H]1CCCO1 ZINC000096013922 371376929 /nfs/dbraw/zinc/37/69/29/371376929.db2.gz UPUZMJRYQFYLLZ-GHMZBOCLSA-N 0 0 224.304 2.030 50 0 BEAARN CCN[C@@]1(c2ccco2)CCCCC1=O ZINC000096027631 371382468 /nfs/dbraw/zinc/38/24/68/371382468.db2.gz OTNFUUYPHZFQSF-LBPRGKRZSA-N 0 0 207.273 2.228 50 0 BEAARN CCOCCC1=NCc2ccccc2N1 ZINC000096027704 371382546 /nfs/dbraw/zinc/38/25/46/371382546.db2.gz XIMOPTUKIQZPFH-UHFFFAOYSA-N 0 0 204.273 2.246 50 0 BEAARN Nc1cccc(OCCc2ccccn2)c1 ZINC000012957774 181747619 /nfs/dbraw/zinc/74/76/19/181747619.db2.gz ZZHXSWXYAZSCBK-UHFFFAOYSA-N 0 0 214.268 2.285 50 0 BEAARN CCCCSCCC(=O)N[C@H]1CCCOC1 ZINC000096416458 371490833 /nfs/dbraw/zinc/49/08/33/371490833.db2.gz HHTMORZKPHDORB-NSHDSACASA-N 0 0 245.388 2.205 50 0 BEAARN CCCC(=O)n1nc(-c2ccccc2C)nc1N ZINC000021804636 371496110 /nfs/dbraw/zinc/49/61/10/371496110.db2.gz USJSWVGQTNILBR-UHFFFAOYSA-N 0 0 244.298 2.276 50 0 BEAARN CC(C)c1cc(C(=O)Nc2cccnc2)no1 ZINC000002498027 371560524 /nfs/dbraw/zinc/56/05/24/371560524.db2.gz ZFKXPAHOUDWGBM-UHFFFAOYSA-N 0 0 231.255 2.445 50 0 BEAARN CC(C)(C)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000028076072 371567329 /nfs/dbraw/zinc/56/73/29/371567329.db2.gz HSJGBRGCIAEXDP-LLVKDONJSA-N 0 0 247.338 2.400 50 0 BEAARN CCN1c2ccc(NC(C)=O)cc2C(C)(C)C1=O ZINC000057280420 371761289 /nfs/dbraw/zinc/76/12/89/371761289.db2.gz XQLFGTCGUBPEQU-UHFFFAOYSA-N 0 0 246.310 2.289 50 0 BEAARN FC(F)(F)c1nc2ccccc2c2nncn21 ZINC000003104610 371873076 /nfs/dbraw/zinc/87/30/76/371873076.db2.gz NXIQNFOOOCYURL-UHFFFAOYSA-N 0 0 238.172 2.296 50 0 BEAARN O=C1C[C@@H](c2cccs2)Sc2nncn21 ZINC000003187086 371905657 /nfs/dbraw/zinc/90/56/57/371905657.db2.gz SFCFDLXNJHUBNZ-ZETCQYMHSA-N 0 0 237.309 2.217 50 0 BEAARN Cc1ccsc1C(=O)N[C@H](C)Cn1cccn1 ZINC000031391315 372058839 /nfs/dbraw/zinc/05/88/39/372058839.db2.gz DXPSXTHPUFUULI-SNVBAGLBSA-N 0 0 249.339 2.072 50 0 BEAARN O[C@@H]1CCC[C@H]1N1CCCc2ccccc21 ZINC000217798150 372012150 /nfs/dbraw/zinc/01/21/50/372012150.db2.gz QUKWNFUUTBVFCD-ZIAGYGMSSA-N 0 0 217.312 2.353 50 0 BEAARN O=C1CCCCCCCCC(=O)OCCO1 ZINC000004015272 372117286 /nfs/dbraw/zinc/11/72/86/372117286.db2.gz XFQHIELVPOKJIM-UHFFFAOYSA-N 0 0 228.288 2.207 50 0 BEAARN CCCCCNS(=O)(=O)c1cccs1 ZINC000003907372 372088107 /nfs/dbraw/zinc/08/81/07/372088107.db2.gz MEJXQDJNMXTVJI-UHFFFAOYSA-N 0 0 233.358 2.217 50 0 BEAARN O=C(C1CCC1)N1CCn2c3ccccc3nc21 ZINC000012534912 181867612 /nfs/dbraw/zinc/86/76/12/181867612.db2.gz PJIMMWUSAHRYAL-UHFFFAOYSA-N 0 0 241.294 2.183 50 0 BEAARN CCCCC(=O)Nc1nnc(-c2ccccn2)o1 ZINC000004264954 372189166 /nfs/dbraw/zinc/18/91/66/372189166.db2.gz YHFPRVNXOKRGIC-UHFFFAOYSA-N 0 0 246.270 2.260 50 0 BEAARN Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000008301031 372552626 /nfs/dbraw/zinc/55/26/26/372552626.db2.gz PEZOKWHYELQTBE-CYBMUJFWSA-N 0 0 233.311 2.352 50 0 BEAARN O=C(CCc1ccccc1)N1CCCC1 ZINC000001460902 181930776 /nfs/dbraw/zinc/93/07/76/181930776.db2.gz AJQCDEYAAFXBBP-UHFFFAOYSA-N 0 0 203.285 2.242 50 0 BEAARN CCC1(CC)C(=O)N[C@@H]1Oc1ccccc1 ZINC000141121072 372870712 /nfs/dbraw/zinc/87/07/12/372870712.db2.gz RQVOBJFMHXHBRW-GFCCVEGCSA-N 0 0 219.284 2.328 50 0 BEAARN O=C(COc1cccc2c1CCCC2)NC1CC1 ZINC000096125645 182001476 /nfs/dbraw/zinc/00/14/76/182001476.db2.gz YEJLDMJKYDDQFQ-UHFFFAOYSA-N 0 0 245.322 2.223 50 0 BEAARN O=C(COc1ccc2c(c1)CCC2)N1CCCC1 ZINC000012917538 182001803 /nfs/dbraw/zinc/00/18/03/182001803.db2.gz NILKLWUQLAUALG-UHFFFAOYSA-N 0 0 245.322 2.177 50 0 BEAARN O=C(COc1ccccc1)Nc1ccc(O)cc1 ZINC000000363327 182002399 /nfs/dbraw/zinc/00/23/99/182002399.db2.gz SPUGSTAFPSRNFE-UHFFFAOYSA-N 0 0 243.262 2.410 50 0 BEAARN O=C(COc1cccnc1)c1ccccc1 ZINC000012346757 182003810 /nfs/dbraw/zinc/00/38/10/182003810.db2.gz HSJFAXGCCGQGRQ-UHFFFAOYSA-N 0 0 213.236 2.343 50 0 BEAARN O=C(CSCCO)Nc1cccc(Cl)c1 ZINC000002143858 182008946 /nfs/dbraw/zinc/00/89/46/182008946.db2.gz UVCAKPBQFXMWQC-UHFFFAOYSA-N 0 0 245.731 2.004 50 0 BEAARN O=C(CSc1ccccc1)NCC(F)(F)F ZINC000049535681 182009118 /nfs/dbraw/zinc/00/91/18/182009118.db2.gz ILEYMEDFKBILNS-UHFFFAOYSA-N 0 0 249.257 2.457 50 0 BEAARN O=C(CSc1ccccn1)Nc1cccnc1 ZINC000007456544 182011252 /nfs/dbraw/zinc/01/12/52/182011252.db2.gz YMOSDMIVRQUFKU-UHFFFAOYSA-N 0 0 245.307 2.207 50 0 BEAARN CSCc1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000008781978 372899347 /nfs/dbraw/zinc/89/93/47/372899347.db2.gz LIBMNCJZHMMZLO-UHFFFAOYSA-N 0 0 233.296 2.107 50 0 BEAARN O=C(C[C@@H]1C=CCC1)Nc1ccccn1 ZINC000032819167 182014868 /nfs/dbraw/zinc/01/48/68/182014868.db2.gz RLQIYLQZUBGHOR-SNVBAGLBSA-N 0 0 202.257 2.376 50 0 BEAARN O=C(C[C@@H]1C=CCC1)Nc1nnc2ccccn21 ZINC000030712421 182014982 /nfs/dbraw/zinc/01/49/82/182014982.db2.gz LBGULGGVOZKMHB-SNVBAGLBSA-N 0 0 242.282 2.024 50 0 BEAARN Cc1ccc(NC(=O)c2cnc(C)cn2)c(O)c1 ZINC000008762600 372887324 /nfs/dbraw/zinc/88/73/24/372887324.db2.gz DPVHVUZNNQFQBB-UHFFFAOYSA-N 0 0 243.266 2.051 50 0 BEAARN O=C(Cc1ccc(F)cc1)Nc1nccs1 ZINC000000136014 182036305 /nfs/dbraw/zinc/03/63/05/182036305.db2.gz GACKTXHPUNTJLD-UHFFFAOYSA-N 0 0 236.271 2.463 50 0 BEAARN O=C(Cc1ccc(F)cc1)Nc1ccncc1 ZINC000005616361 182037381 /nfs/dbraw/zinc/03/73/81/182037381.db2.gz QIZKMACBCOSFFH-UHFFFAOYSA-N 0 0 230.242 2.402 50 0 BEAARN O=C(Cc1ccccc1F)C(F)(F)F ZINC000002517997 182045575 /nfs/dbraw/zinc/04/55/75/182045575.db2.gz BUMJRNYPSGRNRF-UHFFFAOYSA-N 0 0 206.138 2.500 50 0 BEAARN O=C(Cc1ccccc1O)NC1CCCCC1 ZINC000059895383 182046501 /nfs/dbraw/zinc/04/65/01/182046501.db2.gz SJTYDLLAJVJBEK-UHFFFAOYSA-N 0 0 233.311 2.384 50 0 BEAARN O=C(Cc1cccc(F)c1)NCc1ccco1 ZINC000012973924 182040997 /nfs/dbraw/zinc/04/09/97/182040997.db2.gz STGXVOIAOWZPDL-UHFFFAOYSA-N 0 0 233.242 2.278 50 0 BEAARN O=C(Cc1cccs1)N[C@H]1CCC[C@H]1F ZINC000335325744 182052372 /nfs/dbraw/zinc/05/23/72/182052372.db2.gz MNJSNEQARVJYDT-ZJUUUORDSA-N 0 0 227.304 2.297 50 0 BEAARN CC[C@@H](C)NC(=O)CCc1ccc2c(c1)CCO2 ZINC000068741294 373053109 /nfs/dbraw/zinc/05/31/09/373053109.db2.gz OYHHUQIRCLQFTQ-LLVKDONJSA-N 0 0 247.338 2.469 50 0 BEAARN O=C(Cc1ccsc1)NC1CCCC1 ZINC000012903897 182057901 /nfs/dbraw/zinc/05/79/01/182057901.db2.gz RBXHNSQZAQSTNR-UHFFFAOYSA-N 0 0 209.314 2.349 50 0 BEAARN O=C(Cc1ccsc1)Nc1nccs1 ZINC000007655096 182059041 /nfs/dbraw/zinc/05/90/41/182059041.db2.gz GXMQAVDOINWGFM-UHFFFAOYSA-N 0 0 224.310 2.386 50 0 BEAARN O=C(CCc1ccsc1)Nc1cn[nH]c1 ZINC000040087186 373104223 /nfs/dbraw/zinc/10/42/23/373104223.db2.gz VGQNVNJHMZUWLL-UHFFFAOYSA-N 0 0 221.285 2.043 50 0 BEAARN CS[C@H](C)C(=O)NCCc1cccs1 ZINC000040093166 373106420 /nfs/dbraw/zinc/10/64/20/373106420.db2.gz BDQQRYWTOXLTOJ-MRVPVSSYSA-N 0 0 229.370 2.158 50 0 BEAARN Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1 ZINC000008936736 373108353 /nfs/dbraw/zinc/10/83/53/373108353.db2.gz GPBBHGHWCWJBHZ-UHFFFAOYSA-N 0 0 248.326 2.420 50 0 BEAARN O=C(Cn1cccn1)N1CCC[C@H]2CCCC[C@H]21 ZINC000032903899 182068849 /nfs/dbraw/zinc/06/88/49/182068849.db2.gz CUXQUDCXAPCFDD-CHWSQXEVSA-N 0 0 247.342 2.064 50 0 BEAARN Cn1c(C(=O)Nc2nccs2)cc2occc21 ZINC000040286549 373161633 /nfs/dbraw/zinc/16/16/33/373161633.db2.gz MIDDMVVRZCJGDL-UHFFFAOYSA-N 0 0 247.279 2.480 50 0 BEAARN O=C(Cn1cnc2ccccc21)NC1CCCC1 ZINC000004912889 182072032 /nfs/dbraw/zinc/07/20/32/182072032.db2.gz ILKUPAPZDANCFK-UHFFFAOYSA-N 0 0 243.310 2.095 50 0 BEAARN Cc1cnc(F)cc1I ZINC000002384110 205457876 /nfs/dbraw/zinc/45/78/76/205457876.db2.gz BVKQLNXPPQEELX-UHFFFAOYSA-N 0 0 237.015 2.134 50 0 BEAARN O=C(NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000005896700 182092382 /nfs/dbraw/zinc/09/23/82/182092382.db2.gz PAESGINFBHVINK-UHFFFAOYSA-N 0 0 219.328 2.481 50 0 BEAARN O=C(NC1(c2ccccc2)CC1)C1CC1 ZINC000041571190 182092659 /nfs/dbraw/zinc/09/26/59/182092659.db2.gz RCRRVKQUJANEAK-UHFFFAOYSA-N 0 0 201.269 2.202 50 0 BEAARN O=C(NC1=NCCS1)c1ccc(Cl)s1 ZINC000001054515 182093138 /nfs/dbraw/zinc/09/31/38/182093138.db2.gz UDKPJNOQKSIQPB-UHFFFAOYSA-N 0 0 246.744 2.234 50 0 BEAARN O=C(NC1CC1)c1cccc(Cl)c1F ZINC000087908415 182101038 /nfs/dbraw/zinc/10/10/38/182101038.db2.gz VHDWNVUSVHXTIH-UHFFFAOYSA-N 0 0 213.639 2.371 50 0 BEAARN O=C(NC1CC1)c1snnc1-c1ccccc1 ZINC000036364955 182101883 /nfs/dbraw/zinc/10/18/83/182101883.db2.gz XQCOSJMNCUXWKC-UHFFFAOYSA-N 0 0 245.307 2.097 50 0 BEAARN O=C(NC1CC=CC1)NC1Cc2ccccc2C1 ZINC000097140334 182102665 /nfs/dbraw/zinc/10/26/65/182102665.db2.gz SZZYYZKTHOSJML-UHFFFAOYSA-N 0 0 242.322 2.172 50 0 BEAARN O=C(NC1CC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000070749379 182099424 /nfs/dbraw/zinc/09/94/24/182099424.db2.gz YTCAOOCPEIPACE-UHFFFAOYSA-N 0 0 245.257 2.108 50 0 BEAARN O=C(NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000008082259 182111117 /nfs/dbraw/zinc/11/11/17/182111117.db2.gz GSSCINATCYBRBF-UHFFFAOYSA-N 0 0 247.294 2.130 50 0 BEAARN O=C(NC1CCCC1)c1ccc2c(c1)OCO2 ZINC000000030199 182111839 /nfs/dbraw/zinc/11/18/39/182111839.db2.gz WNLHHQLDSJVBRU-UHFFFAOYSA-N 0 0 233.267 2.088 50 0 BEAARN O=C(NC1CCCCC1)c1ccccn1 ZINC000014655126 182114756 /nfs/dbraw/zinc/11/47/56/182114756.db2.gz WIRGFWGEJNBWAN-UHFFFAOYSA-N 0 0 204.273 2.144 50 0 BEAARN O=C(NC1CCCC1)[C@@H]1COc2ccccc2C1 ZINC000008843796 182109441 /nfs/dbraw/zinc/10/94/41/182109441.db2.gz AYMOKIBMBRREQB-LBPRGKRZSA-N 0 0 245.322 2.297 50 0 BEAARN O=C(NC1CCCC1)c1ccccc1F ZINC000000826234 182110819 /nfs/dbraw/zinc/11/08/19/182110819.db2.gz XXTDTLJVPPESDM-UHFFFAOYSA-N 0 0 207.248 2.498 50 0 BEAARN O=C(NCC(F)(F)F)c1c[nH]c2ccccc12 ZINC000035134675 182123240 /nfs/dbraw/zinc/12/32/40/182123240.db2.gz KDOBCAHPOHCIBC-UHFFFAOYSA-N 0 0 242.200 2.460 50 0 BEAARN O=C(NC1CCCCCCC1)c1cnccn1 ZINC000000442409 182115535 /nfs/dbraw/zinc/11/55/35/182115535.db2.gz ABOXMPNTIYFYFL-UHFFFAOYSA-N 0 0 233.315 2.319 50 0 BEAARN O=C(NCC1(c2ccccc2)CC1)N1CCC1 ZINC000045377236 182132689 /nfs/dbraw/zinc/13/26/89/182132689.db2.gz GZVKNLVXEOIZMJ-UHFFFAOYSA-N 0 0 230.311 2.134 50 0 BEAARN O=C(NCC1CC1)c1cc2c(s1)CCC2 ZINC000029792237 182139987 /nfs/dbraw/zinc/13/99/87/182139987.db2.gz QJGJDNVUULOQFM-UHFFFAOYSA-N 0 0 221.325 2.377 50 0 BEAARN O=C(NCC1CC1)c1cc(F)cc(F)c1 ZINC000032909784 182140723 /nfs/dbraw/zinc/14/07/23/182140723.db2.gz LQFGMMUAYBJLFL-UHFFFAOYSA-N 0 0 211.211 2.105 50 0 BEAARN Fc1ccc(COn2nnc3ccccc32)cc1 ZINC000009219227 373581773 /nfs/dbraw/zinc/58/17/73/373581773.db2.gz LXEWKTMVVQPEEA-UHFFFAOYSA-N 0 0 243.241 2.199 50 0 BEAARN O=C(NCC1CCC1)Nc1nccs1 ZINC000044935464 182143602 /nfs/dbraw/zinc/14/36/02/182143602.db2.gz CJZWAEUPADSJIE-UHFFFAOYSA-N 0 0 211.290 2.065 50 0 BEAARN O=C(NCC1CCCC1)c1cc(C2CC2)on1 ZINC000033054973 182146275 /nfs/dbraw/zinc/14/62/75/182146275.db2.gz AHHBRTCOQQGWEG-UHFFFAOYSA-N 0 0 234.299 2.472 50 0 BEAARN O=C(NCC1CC1)c1ccc2ncsc2c1 ZINC000032906066 182141347 /nfs/dbraw/zinc/14/13/47/182141347.db2.gz NCDNSYNZMMPGRY-UHFFFAOYSA-N 0 0 232.308 2.436 50 0 BEAARN Cn1c(C(=O)NC2CC2)cc2ccc(F)cc21 ZINC000040789092 373730057 /nfs/dbraw/zinc/73/00/57/373730057.db2.gz NKOGTTQLJRCTEA-UHFFFAOYSA-N 0 0 232.258 2.210 50 0 BEAARN CCCCNC(=O)NCc1nc2ccccc2[nH]1 ZINC000020032183 168851544 /nfs/dbraw/zinc/85/15/44/168851544.db2.gz QSRUMUCKTBKMCC-UHFFFAOYSA-N 0 0 246.314 2.162 50 0 BEAARN O=C(NCCOc1ccccc1F)C1CC=CC1 ZINC000265782209 182197799 /nfs/dbraw/zinc/19/77/99/182197799.db2.gz LZMXEJIAQUROSZ-UHFFFAOYSA-N 0 0 249.285 2.287 50 0 BEAARN O=C(NCCc1cccc(F)c1)c1cccnc1 ZINC000057553752 182202343 /nfs/dbraw/zinc/20/23/43/182202343.db2.gz KXJZYUFKKOTWSL-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccco1)OCC(F)(F)F ZINC000069418741 182207262 /nfs/dbraw/zinc/20/72/62/182207262.db2.gz WLHQJVIIDPCGKK-UHFFFAOYSA-N 0 0 237.177 2.111 50 0 BEAARN O=C(NCCc1cccs1)c1ccco1 ZINC000001428294 182208460 /nfs/dbraw/zinc/20/84/60/182208460.db2.gz HAVNWGPRWYBLEM-UHFFFAOYSA-N 0 0 221.281 2.314 50 0 BEAARN O=C(NCCc1ccoc1)[C@@H]1CC=CCC1 ZINC000090607409 182209199 /nfs/dbraw/zinc/20/91/99/182209199.db2.gz GUHNZHFNMVGKAZ-GFCCVEGCSA-N 0 0 219.284 2.295 50 0 BEAARN O=C(NCCc1cccs1)c1ccccn1 ZINC000022505184 182209261 /nfs/dbraw/zinc/20/92/61/182209261.db2.gz PFRPTNWPPZPYGM-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN O=C(NCCc1cccs1)c1ccoc1 ZINC000022505230 182209580 /nfs/dbraw/zinc/20/95/80/182209580.db2.gz KHEHWGUPMCVHHI-UHFFFAOYSA-N 0 0 221.281 2.314 50 0 BEAARN O=C(NCCn1cccc1)[C@@H]1C[C@H]1c1ccco1 ZINC000096449882 182212840 /nfs/dbraw/zinc/21/28/40/182212840.db2.gz XQOQKFLYYGFBKS-VXGBXAGGSA-N 0 0 244.294 2.001 50 0 BEAARN CC[C@@H](C)NC(=O)CSc1nc(C)cs1 ZINC000009450643 374132740 /nfs/dbraw/zinc/13/27/40/374132740.db2.gz QTFWYBUEESSNIS-SSDOTTSWSA-N 0 0 244.385 2.458 50 0 BEAARN O=C(NC[C@H]1CCCO1)Nc1ccccc1F ZINC000002889980 182239025 /nfs/dbraw/zinc/23/90/25/182239025.db2.gz UXVOOWKUMQTBSV-SECBINFHSA-N 0 0 238.262 2.126 50 0 BEAARN COC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421855 374138274 /nfs/dbraw/zinc/13/82/74/374138274.db2.gz WIWYUMLFLGREMI-CMPLNLGQSA-N 0 0 235.283 2.215 50 0 BEAARN COC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000041421853 374140550 /nfs/dbraw/zinc/14/05/50/374140550.db2.gz WIWYUMLFLGREMI-ZYHUDNBSSA-N 0 0 235.283 2.215 50 0 BEAARN Fc1ccc2ncnc(N3CCCC3)c2c1 ZINC000041475577 374141583 /nfs/dbraw/zinc/14/15/83/374141583.db2.gz AUAAZBMTYJIVGU-UHFFFAOYSA-N 0 0 217.247 2.369 50 0 BEAARN O=C(NCc1cccc(F)c1)c1ccco1 ZINC000070250810 182254331 /nfs/dbraw/zinc/25/43/31/182254331.db2.gz SBZASVKGMUYQHH-UHFFFAOYSA-N 0 0 219.215 2.349 50 0 BEAARN CC[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC000041880939 374206287 /nfs/dbraw/zinc/20/62/87/374206287.db2.gz NXJBATIFKJUKOS-SNVBAGLBSA-N 0 0 222.288 2.245 50 0 BEAARN CCCCNC(=O)[C@@H]1COc2ccccc2C1 ZINC000021094602 168857375 /nfs/dbraw/zinc/85/73/75/168857375.db2.gz HWRVXYBAIOCYON-LBPRGKRZSA-N 0 0 233.311 2.154 50 0 BEAARN O=C(NCc1ccncc1)Nc1ccccc1 ZINC000000396412 182263763 /nfs/dbraw/zinc/26/37/63/182263763.db2.gz JNBHWDRNHXYUJA-UHFFFAOYSA-N 0 0 227.267 2.403 50 0 BEAARN O=C(NCc1ccncc1)c1cccc(F)c1 ZINC000002780122 182265708 /nfs/dbraw/zinc/26/57/08/182265708.db2.gz ZSUNGUVFYKWNLC-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN CCCc1nc(CN2CCC(O)CC2)cs1 ZINC000042651856 374280241 /nfs/dbraw/zinc/28/02/41/374280241.db2.gz UBTWCGPPWMHGRR-UHFFFAOYSA-N 0 0 240.372 2.052 50 0 BEAARN CCCc1nc(CN2CCC[C@@H](O)C2)cs1 ZINC000042651834 374280272 /nfs/dbraw/zinc/28/02/72/374280272.db2.gz WHGNSCDPKMAVIX-LLVKDONJSA-N 0 0 240.372 2.052 50 0 BEAARN O=C(NCc1ccccc1)c1ccccn1 ZINC000000054767 182257355 /nfs/dbraw/zinc/25/73/55/182257355.db2.gz NNIFYECULHSHBH-UHFFFAOYSA-N 0 0 212.252 2.012 50 0 BEAARN O=C(NCc1ccccn1)[C@@H]1CC=CCC1 ZINC000028200116 182258043 /nfs/dbraw/zinc/25/80/43/182258043.db2.gz RIZWMSXVGXVLLM-LLVKDONJSA-N 0 0 216.284 2.054 50 0 BEAARN O=C(NCc1ccccn1)c1cc(F)ccc1F ZINC000016545933 182259672 /nfs/dbraw/zinc/25/96/72/182259672.db2.gz TYSPAORWTUWSBA-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1ccccn1)c1ccc(Cl)o1 ZINC000022242491 182259688 /nfs/dbraw/zinc/25/96/88/182259688.db2.gz NOMQGHSUXQRHMU-UHFFFAOYSA-N 0 0 236.658 2.258 50 0 BEAARN O=C(NCc1ccccn1)c1ccsc1 ZINC000040462645 182259706 /nfs/dbraw/zinc/25/97/06/182259706.db2.gz BXVQNLPWWSFLIK-UHFFFAOYSA-N 0 0 218.281 2.073 50 0 BEAARN O=C(NCc1ccccn1)c1ccc(Cl)nc1 ZINC000008289947 182259918 /nfs/dbraw/zinc/25/99/18/182259918.db2.gz NWAZEDLMSGMFGS-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN O=C(NCc1cccnc1)c1ccccc1F ZINC000000179624 182260852 /nfs/dbraw/zinc/26/08/52/182260852.db2.gz FNXBZFPQWHXXMX-UHFFFAOYSA-N 0 0 230.242 2.151 50 0 BEAARN O=C(NCc1ccco1)OCC(F)(F)F ZINC000007778758 182261852 /nfs/dbraw/zinc/26/18/52/182261852.db2.gz WWQYNASZDIQLEL-UHFFFAOYSA-N 0 0 223.150 2.068 50 0 BEAARN O=C(NCc1ccco1)c1ccccc1 ZINC000000146633 182262548 /nfs/dbraw/zinc/26/25/48/182262548.db2.gz FTABNBAFUSPGJJ-UHFFFAOYSA-N 0 0 201.225 2.210 50 0 BEAARN O=C(NCc1nccs1)c1ccccc1F ZINC000040437316 182275458 /nfs/dbraw/zinc/27/54/58/182275458.db2.gz LCCCMJPLPVMWPG-UHFFFAOYSA-N 0 0 236.271 2.212 50 0 BEAARN O=C(NCc1nc2ccccc2s1)NC1CC1 ZINC000032843663 182271901 /nfs/dbraw/zinc/27/19/01/182271901.db2.gz ZTPGRVJWAYRIQU-UHFFFAOYSA-N 0 0 247.323 2.258 50 0 BEAARN CC/C(C)=C/CCSc1nnc(C[NH3+])n1C ZINC000426422918 206046821 /nfs/dbraw/zinc/04/68/21/206046821.db2.gz MPCALFKJOFGVFS-RMKNXTFCSA-N 0 0 240.376 2.112 50 0 BEAARN CCCn1nccc1-c1cccc([C@@H](C)O)n1 ZINC000426431177 206053166 /nfs/dbraw/zinc/05/31/66/206053166.db2.gz WTYBIUMYZHXMSY-SNVBAGLBSA-N 0 0 231.299 2.408 50 0 BEAARN CCCCNC(=O)c1cc(Cl)ccn1 ZINC000036804048 168861461 /nfs/dbraw/zinc/86/14/61/168861461.db2.gz LPMYIHKYXVKABD-UHFFFAOYSA-N 0 0 212.680 2.265 50 0 BEAARN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccn[nH]1 ZINC000098013213 182318920 /nfs/dbraw/zinc/31/89/20/182318920.db2.gz BPKXLFHVBLQOGN-CMPLNLGQSA-N 0 0 233.315 2.108 50 0 BEAARN O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCO1 ZINC000004731627 182350266 /nfs/dbraw/zinc/35/02/66/182350266.db2.gz JUXRPENZZMUHTM-JTQLQIEISA-N 0 0 227.210 2.082 50 0 BEAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CC1 ZINC000038490063 182351852 /nfs/dbraw/zinc/35/18/52/182351852.db2.gz LPPGFWJMMNFCHM-UHFFFAOYSA-N 0 0 227.267 2.425 50 0 BEAARN O=C(Nc1ccc(Br)nc1)C1CC1 ZINC000062193882 182353026 /nfs/dbraw/zinc/35/30/26/182353026.db2.gz ATBJDLGKEHGBBA-UHFFFAOYSA-N 0 0 241.088 2.193 50 0 BEAARN O=C(Nc1ccc(Cl)cn1)c1cccnc1 ZINC000000241586 182353478 /nfs/dbraw/zinc/35/34/78/182353478.db2.gz AOWPYKXJRNMXJK-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)c1cccnn1 ZINC000004721918 182354716 /nfs/dbraw/zinc/35/47/16/182354716.db2.gz SZHXROCQJUPMMP-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000006330015 182355394 /nfs/dbraw/zinc/35/53/94/182355394.db2.gz PWCCSBVGASZGNR-JTQLQIEISA-N 0 0 227.210 2.082 50 0 BEAARN O=C(Nc1ccc2snnc2c1)N1CCCC1 ZINC000000095009 182367175 /nfs/dbraw/zinc/36/71/75/182367175.db2.gz ARIFGVVFZLEYRY-UHFFFAOYSA-N 0 0 248.311 2.319 50 0 BEAARN O=C(Nc1ccc2n[nH]nc2c1)NC1CCCC1 ZINC000089807616 182367597 /nfs/dbraw/zinc/36/75/97/182367597.db2.gz IHRWVXPLRRUKKT-UHFFFAOYSA-N 0 0 245.286 2.022 50 0 BEAARN O=C(Nc1ccc(O)cc1F)c1ccc[nH]1 ZINC000082879372 182360734 /nfs/dbraw/zinc/36/07/34/182360734.db2.gz VMQSPANBILARJI-UHFFFAOYSA-N 0 0 220.203 2.112 50 0 BEAARN O=C(Nc1ccc2n[nH]cc2c1)c1ccco1 ZINC000006188216 182362445 /nfs/dbraw/zinc/36/24/45/182362445.db2.gz QFDJTLBGNLFBTJ-UHFFFAOYSA-N 0 0 227.223 2.408 50 0 BEAARN O=C(Nc1ccccc1)C(=S)NC1CCCC1 ZINC000004813604 182375146 /nfs/dbraw/zinc/37/51/46/182375146.db2.gz BPMYDALLUZIBDL-UHFFFAOYSA-N 0 0 248.351 2.485 50 0 BEAARN O=C(Nc1ccon1)Nc1ccccc1 ZINC000006698638 182376012 /nfs/dbraw/zinc/37/60/12/182376012.db2.gz KMKMVCCHMNNIET-UHFFFAOYSA-N 0 0 203.201 2.319 50 0 BEAARN O=C(Nc1ccccc1)OC[C@H]1CCCO1 ZINC000000296502 182376458 /nfs/dbraw/zinc/37/64/58/182376458.db2.gz KUEGIRDNEZTDSX-LLVKDONJSA-N 0 0 221.256 2.414 50 0 BEAARN O=C(Nc1ccccc1Cl)C(=O)c1ccc[nH]1 ZINC000065083794 182377627 /nfs/dbraw/zinc/37/76/27/182377627.db2.gz SLBAUBLICTWWSU-UHFFFAOYSA-N 0 0 248.669 2.490 50 0 BEAARN O=C(Nc1ccccc1-n1cccn1)NC1CC1 ZINC000048152304 182378552 /nfs/dbraw/zinc/37/85/52/182378552.db2.gz NBMUYKPZHXHBAQ-UHFFFAOYSA-N 0 0 242.282 2.156 50 0 BEAARN O=C(Nc1cccc2cccnc21)c1ccon1 ZINC000048302607 182373246 /nfs/dbraw/zinc/37/32/46/182373246.db2.gz BYPCPIOHAAMPGY-UHFFFAOYSA-N 0 0 239.234 2.475 50 0 BEAARN O=C(Nc1cccc2cccnc21)[C@@H]1CCCO1 ZINC000000379079 182373278 /nfs/dbraw/zinc/37/32/78/182373278.db2.gz QLMVZVUGQVWZOP-LBPRGKRZSA-N 0 0 242.278 2.352 50 0 BEAARN O=C(Nc1cccc2ccccc21)c1nc[nH]n1 ZINC000005605018 182373433 /nfs/dbraw/zinc/37/34/33/182373433.db2.gz UKIDZQRONWMWCG-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1cn[nH]c1)C1CCC(F)(F)CC1 ZINC000127112020 182390780 /nfs/dbraw/zinc/39/07/80/182390780.db2.gz YIICJWUWFLSYFX-UHFFFAOYSA-N 0 0 229.230 2.174 50 0 BEAARN O=C(Nc1cn[nH]c1)c1cc(Cl)ccc1F ZINC000032828008 182391930 /nfs/dbraw/zinc/39/19/30/182391930.db2.gz SZZRMIMXDFSVQG-UHFFFAOYSA-N 0 0 239.637 2.455 50 0 BEAARN O=C(Nc1cccnc1)Nc1cccnc1 ZINC000000334974 182384344 /nfs/dbraw/zinc/38/43/44/182384344.db2.gz CJYIFBGXLCPMDQ-UHFFFAOYSA-N 0 0 214.228 2.121 50 0 in-vitro BEAARN O=C(Nc1cccnc1)c1cccs1 ZINC000000290754 182385064 /nfs/dbraw/zinc/38/50/64/182385064.db2.gz UPLHUDRMLWWFRE-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 BEAARN O=C(Nc1cccnc1Cl)c1ccncc1 ZINC000000338483 182385081 /nfs/dbraw/zinc/38/50/81/182385081.db2.gz OAVHIVHVLNKRJE-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN O=C(Nc1cccnc1)c1n[nH]c2ccccc21 ZINC000005265958 182385659 /nfs/dbraw/zinc/38/56/59/182385659.db2.gz ZAJIGDRNQATPPP-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C([O-])C1([NH+]2CCCCC2)CCCCC1 ZINC000004503377 182422869 /nfs/dbraw/zinc/42/28/69/182422869.db2.gz OOEYLDSNYUXWGT-UHFFFAOYSA-N 0 0 211.305 2.260 50 0 BEAARN CCOC(=O)CCC(=O)c1ccc(Cl)nc1 ZINC000002392709 170198631 /nfs/dbraw/zinc/19/86/31/170198631.db2.gz JLOMUGLRAOGWJH-UHFFFAOYSA-N 0 0 241.674 2.261 50 0 BEAARN O=C([O-])c1ccc(C[NH+]2CCCC2)s1 ZINC000016943912 182565024 /nfs/dbraw/zinc/56/50/24/182565024.db2.gz IXJBEWGBFYWXLX-UHFFFAOYSA-N 0 0 211.286 2.042 50 0 BEAARN O=C(OCc1cnc(Cl)s1)C1CC1 ZINC000001392614 182606720 /nfs/dbraw/zinc/60/67/20/182606720.db2.gz SHZFIDNHQXUZPU-UHFFFAOYSA-N 0 0 217.677 2.250 50 0 BEAARN O=C([C@@H]1CCCc2n[nH]cc21)N1CCCCCC1 ZINC000089764894 182619800 /nfs/dbraw/zinc/61/98/00/182619800.db2.gz LVUSFWRCPJWUKI-LLVKDONJSA-N 0 0 247.342 2.232 50 0 BEAARN O=C(Oc1cccnc1)c1cccs1 ZINC000000242117 182610373 /nfs/dbraw/zinc/61/03/73/182610373.db2.gz GVVPOBOYVLCUFS-UHFFFAOYSA-N 0 0 205.238 2.362 50 0 BEAARN O=C([C@H]1Cc2ccccc2O1)N1CCCCC1 ZINC000000300285 182644201 /nfs/dbraw/zinc/64/42/01/182644201.db2.gz YGDQJLAWPAUWCP-CYBMUJFWSA-N 0 0 231.295 2.003 50 0 BEAARN O=C(c1nnc(-c2ccccc2)o1)C1CC1 ZINC000003346692 182709147 /nfs/dbraw/zinc/70/91/47/182709147.db2.gz FAYSWSKOQYQXTC-UHFFFAOYSA-N 0 0 214.224 2.329 50 0 BEAARN O=C1C[C@@H]2CCC[C@@H](c3ccccc3)[C@]2(O)O1 ZINC000002099742 182778307 /nfs/dbraw/zinc/77/83/07/182778307.db2.gz ZMWQOEWNVDTTKC-SGMGOOAPSA-N 0 0 232.279 2.206 50 0 biogenic BEAARN O=C1NCCCC[C@@H]1Nc1ccc2c(c1)CCC2 ZINC000012523395 182798556 /nfs/dbraw/zinc/79/85/56/182798556.db2.gz LRDOLQKBSMAVMO-AWEZNQCLSA-N 0 0 244.338 2.256 50 0 BEAARN O=C1NCCCC[C@H]1Sc1ccccc1 ZINC000034077955 182800091 /nfs/dbraw/zinc/80/00/91/182800091.db2.gz VDMBFMQIWFRBSK-LLVKDONJSA-N 0 0 221.325 2.447 50 0 BEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)[C@@H]2CC=CC[C@H]12 ZINC000016892125 182841662 /nfs/dbraw/zinc/84/16/62/182841662.db2.gz AWKYKXCWTDDILL-IWDIQUIJSA-N 0 0 216.280 2.303 50 0 BEAARN O=C1O[C@H](Nc2ccccn2)c2ccccc21 ZINC000019375070 182836967 /nfs/dbraw/zinc/83/69/67/182836967.db2.gz ZWWHJIJWPUEHHW-LBPRGKRZSA-N 0 0 226.235 2.363 50 0 BEAARN O=Cc1c(Cl)c2ccccc2oc1=O ZINC000000168150 182858341 /nfs/dbraw/zinc/85/83/41/182858341.db2.gz CLLLQUGVEQADNN-UHFFFAOYSA-N 0 0 208.600 2.259 50 0 BEAARN O=Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000015443544 182869713 /nfs/dbraw/zinc/86/97/13/182869713.db2.gz OFZOVFCBBFJMNV-UHFFFAOYSA-N 0 0 246.287 2.332 50 0 BEAARN O=Cc1ccccc1-n1nnc2ccccc21 ZINC000026514930 182872193 /nfs/dbraw/zinc/87/21/93/182872193.db2.gz BQLYPHVMQDZBRV-UHFFFAOYSA-N 0 0 223.235 2.233 50 0 BEAARN O=Cc1n[nH]c2cc(Br)ccc12 ZINC000014909848 182875678 /nfs/dbraw/zinc/87/56/78/182875678.db2.gz RQQKGUPOPZJRLE-UHFFFAOYSA-N 0 0 225.045 2.138 50 0 BEAARN O=S(=O)(c1ccc(Cl)cc1)C(F)F ZINC000000086342 182904500 /nfs/dbraw/zinc/90/45/00/182904500.db2.gz UWBPIDCZHSOMGG-UHFFFAOYSA-N 0 0 226.631 2.336 50 0 BEAARN CCCC[C@@H](C)C(=O)NCC[C@@H]1CCCO1 ZINC000225725172 168939468 /nfs/dbraw/zinc/93/94/68/168939468.db2.gz GCEISURFGCZGHV-NEPJUHHUSA-N 0 0 227.348 2.498 50 0 BEAARN O=c1[nH]c2ccc(Sc3ncccn3)cc2o1 ZINC000071890061 182974418 /nfs/dbraw/zinc/97/44/18/182974418.db2.gz JIKALGSUAVWUKX-UHFFFAOYSA-N 0 0 245.263 2.062 50 0 BEAARN O=c1c2ccccc2sn1CC[C@H]1CCOC1 ZINC000095366900 182988987 /nfs/dbraw/zinc/98/89/87/182988987.db2.gz MLAHWXUAMLKBJM-JTQLQIEISA-N 0 0 249.335 2.490 50 0 BEAARN O=c1[nH]cccc1-c1nc(-c2ccsc2)no1 ZINC000072333521 182977668 /nfs/dbraw/zinc/97/76/68/182977668.db2.gz MLMBZQLCTHUGAO-UHFFFAOYSA-N 0 0 245.263 2.153 50 0 BEAARN O=c1ccccn1-c1nc2ccccc2s1 ZINC000000367532 183002260 /nfs/dbraw/zinc/00/22/60/183002260.db2.gz CAGAXLAVBAIBST-UHFFFAOYSA-N 0 0 228.276 2.447 50 0 BEAARN O=c1ccc2ncc3sccc3c2[nH]1 ZINC000000481014 183002698 /nfs/dbraw/zinc/00/26/98/183002698.db2.gz GWUHZMUENIWLLZ-UHFFFAOYSA-N 0 0 202.238 2.138 50 0 BEAARN O=c1ccn(-c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000004001881 183003405 /nfs/dbraw/zinc/00/34/05/183003405.db2.gz JDEQPOPCQHAOPN-UHFFFAOYSA-N 0 0 237.262 2.228 50 0 BEAARN O=c1ccnc(Nc2ccccc2Cl)[nH]1 ZINC000004368101 183005735 /nfs/dbraw/zinc/00/57/35/183005735.db2.gz FVCXDADDGPPLNF-UHFFFAOYSA-N 0 0 221.647 2.167 50 0 BEAARN O=c1cnc2cc(Cl)c(Cl)cc2[nH]1 ZINC000015020551 183006611 /nfs/dbraw/zinc/00/66/11/183006611.db2.gz BDVJLKWSNDCCPL-UHFFFAOYSA-N 0 0 215.039 2.230 50 0 BEAARN O=c1ccoc2c(F)c(F)c(F)c(F)c12 ZINC000000033162 183006858 /nfs/dbraw/zinc/00/68/58/183006858.db2.gz BRCKGLHRFBZZRX-UHFFFAOYSA-N 0 0 218.105 2.349 50 0 BEAARN OC1CCC(Nc2ncccc2Cl)CC1 ZINC000020022838 183028568 /nfs/dbraw/zinc/02/85/68/183028568.db2.gz NEBLVAIJOWPIFF-UHFFFAOYSA-N 0 0 226.707 2.450 50 0 BEAARN OC1CCC(Nc2cnc3ccccc3n2)CC1 ZINC000036396944 183029042 /nfs/dbraw/zinc/02/90/42/183029042.db2.gz FNUYYAKDNOIWDE-UHFFFAOYSA-N 0 0 243.310 2.345 50 0 BEAARN OCCCNC(=S)Nc1ccc(Cl)cc1 ZINC000002320029 183056833 /nfs/dbraw/zinc/05/68/33/183056833.db2.gz POPPMJOUGJFZMY-UHFFFAOYSA-N 0 0 244.747 2.009 50 0 BEAARN OCCCOc1ccc(Br)cc1 ZINC000019786140 183062006 /nfs/dbraw/zinc/06/20/06/183062006.db2.gz PFKPRUNICVIARC-UHFFFAOYSA-N 0 0 231.089 2.210 50 0 BEAARN OC[C@H]1C=C(c2ccccc2)C[C@@H](CO)C1 ZINC000000192556 183116308 /nfs/dbraw/zinc/11/63/08/183116308.db2.gz TUBSTPQBMRWIND-NEPJUHHUSA-N 0 0 218.296 2.081 50 0 BEAARN OC[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000042434686 183120869 /nfs/dbraw/zinc/12/08/69/183120869.db2.gz ZMQNJFPZLDLYEF-VIFPVBQESA-N 0 0 246.232 2.062 50 0 BEAARN OCCc1cccc(Br)c1F ZINC000075856841 183100560 /nfs/dbraw/zinc/10/05/60/183100560.db2.gz WRSVBQGPSXKJGZ-UHFFFAOYSA-N 0 0 219.053 2.123 50 0 BEAARN OC[C@@]1(NCc2ccco2)CCc2ccccc21 ZINC000096483073 183133991 /nfs/dbraw/zinc/13/39/91/183133991.db2.gz CAMDWOBSWPTLLR-HNNXBMFYSA-N 0 0 243.306 2.203 50 0 BEAARN CCCCc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000001789198 169020165 /nfs/dbraw/zinc/02/01/65/169020165.db2.gz YLJPMCJDTAPPRX-UHFFFAOYSA-N 0 0 229.279 2.459 50 0 BEAARN CCCCc1ccc2c(c1)C1(OCCO1)C(=O)N2 ZINC000008047311 169024083 /nfs/dbraw/zinc/02/40/83/169024083.db2.gz NHTNUENAHDGUON-UHFFFAOYSA-N 0 0 247.294 2.181 50 0 BEAARN CCCCn1c2ccccc2nc1CNC=O ZINC000004810140 169033924 /nfs/dbraw/zinc/03/39/24/169033924.db2.gz FADDJQJCPOIVTJ-UHFFFAOYSA-N 0 0 231.299 2.082 50 0 BEAARN OC[C@H]1CCCN1Cc1c(F)cccc1Cl ZINC000000277270 183150005 /nfs/dbraw/zinc/15/00/05/183150005.db2.gz DDXLVLHAEBPOKY-SECBINFHSA-N 0 0 243.709 2.436 50 0 BEAARN CCCCn1nc(C)nc1CCCn1cccn1 ZINC000096131270 169037573 /nfs/dbraw/zinc/03/75/73/169037573.db2.gz LUHJRQRPNSVPIU-UHFFFAOYSA-N 0 0 247.346 2.216 50 0 BEAARN CCCCn1nccc1N[C@H]1CCCOC1 ZINC000097045654 169040004 /nfs/dbraw/zinc/04/00/04/169040004.db2.gz JIGSFGDUQLUFOP-NSHDSACASA-N 0 0 223.320 2.274 50 0 BEAARN OC[C@]12CC=CC[C@@]1(CO)c1ccccc1CC2 ZINC000039278681 183158809 /nfs/dbraw/zinc/15/88/09/183158809.db2.gz CYHXCIAJIUKFLX-HZPDHXFCSA-N 0 0 244.334 2.192 50 0 BEAARN OCc1c(Cl)nccc1C(F)(F)F ZINC000095828980 183160246 /nfs/dbraw/zinc/16/02/46/183160246.db2.gz FNEOFCQITLTNEO-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1c(F)ccc(Br)c1F ZINC000075844580 183160592 /nfs/dbraw/zinc/16/05/92/183160592.db2.gz VNUWCHLKAFPIDP-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN OCc1c(Br)cc(F)c(F)c1F ZINC000075925991 183160960 /nfs/dbraw/zinc/16/09/60/183160960.db2.gz BNIXKLPDUMIALR-UHFFFAOYSA-N 0 0 241.006 2.359 50 0 BEAARN OCc1ccc2c(Br)c[nH]c2c1 ZINC000095616351 183166078 /nfs/dbraw/zinc/16/60/78/183166078.db2.gz MENNYIFKJFFWBS-UHFFFAOYSA-N 0 0 226.073 2.423 50 0 BEAARN OCc1ccc(Oc2ccccc2)nc1 ZINC000000158921 183166138 /nfs/dbraw/zinc/16/61/38/183166138.db2.gz ZAKRVFYNLKKPOF-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN OCc1cccc(OC(F)(F)F)c1F ZINC000036533773 183168027 /nfs/dbraw/zinc/16/80/27/183168027.db2.gz UPSCFKSYRYUXEF-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN OCc1cccc(Oc2ccccn2)c1 ZINC000012370414 183168184 /nfs/dbraw/zinc/16/81/84/183168184.db2.gz BXCKKTGCZQDZBY-UHFFFAOYSA-N 0 0 201.225 2.366 50 0 BEAARN OCc1ccnc2c(Br)cccc12 ZINC000040571763 183169024 /nfs/dbraw/zinc/16/90/24/183169024.db2.gz FIRODXFCQOQZSE-UHFFFAOYSA-N 0 0 238.084 2.490 50 0 BEAARN OCc1csc(-c2ccccc2F)n1 ZINC000032012116 183170084 /nfs/dbraw/zinc/17/00/84/183170084.db2.gz CTRPELPWSRHYEL-UHFFFAOYSA-N 0 0 209.245 2.442 50 0 BEAARN OCc1csc(-c2ccc(F)cc2)n1 ZINC000032012117 183170976 /nfs/dbraw/zinc/17/09/76/183170976.db2.gz QTKNJWCGPSLBSS-UHFFFAOYSA-N 0 0 209.245 2.442 50 0 BEAARN O[C@@H]1CCCC[C@@H]1Nc1ncnc2ccsc21 ZINC000052007395 183188942 /nfs/dbraw/zinc/18/89/42/183188942.db2.gz AMTKSFGJUZBUDW-WCBMZHEXSA-N 0 0 249.339 2.407 50 0 BEAARN O[C@@]12C[C@@H](Cc3cccnc31)c1ccccc12 ZINC000000318141 183217534 /nfs/dbraw/zinc/21/75/34/183217534.db2.gz WGJLOFZRPBOHNV-IAQYHMDHSA-N 0 0 223.275 2.361 50 0 BEAARN O[C@@H](c1nccn1CCCF)c1ccccc1 ZINC000154850199 183229415 /nfs/dbraw/zinc/22/94/15/183229415.db2.gz ULOZCMPMDGSZSO-GFCCVEGCSA-N 0 0 234.274 2.324 50 0 BEAARN O[C@H]1CCN(Cc2cc(Cl)ccc2F)C1 ZINC000128166045 183240604 /nfs/dbraw/zinc/24/06/04/183240604.db2.gz PZAWQCDKVJWZMQ-JTQLQIEISA-N 0 0 229.682 2.046 50 0 BEAARN O[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000040460800 183235776 /nfs/dbraw/zinc/23/57/76/183235776.db2.gz GTULZLWTOQSNHQ-NSHDSACASA-N 0 0 243.709 2.436 50 0 BEAARN O[C@H]1CCCc2c(Br)cncc21 ZINC000095835436 183237815 /nfs/dbraw/zinc/23/78/15/183237815.db2.gz WAUCFCDXBSONNH-VIFPVBQESA-N 0 0 228.089 2.214 50 0 BEAARN O=c1ccc(Br)c(Cl)[nH]1 ZINC000065337517 183267580 /nfs/dbraw/zinc/26/75/80/183267580.db2.gz ZBUYQOPMGPFMJU-UHFFFAOYSA-N 0 0 208.442 2.203 50 0 BEAARN Oc1ccc(Cc2cncc(O)c2)cc1 ZINC000001242570 183271322 /nfs/dbraw/zinc/27/13/22/183271322.db2.gz PGFKEBKMBUYISS-UHFFFAOYSA-N 0 0 201.225 2.084 50 0 BEAARN Oc1ccc(I)cc1F ZINC000034317567 183274664 /nfs/dbraw/zinc/27/46/64/183274664.db2.gz FDOQGGGFQVVOBN-UHFFFAOYSA-N 0 0 237.999 2.136 50 0 BEAARN CCCN(CC1CC1)C(=O)c1n[nH]c2c1CCC2 ZINC000095949466 169136733 /nfs/dbraw/zinc/13/67/33/169136733.db2.gz VEBPCORRAPNIBL-UHFFFAOYSA-N 0 0 247.342 2.161 50 0 BEAARN Oc1ccc([C@H]2NCCc3nc[nH]c32)c(Cl)c1 ZINC000065492482 183278179 /nfs/dbraw/zinc/27/81/79/183278179.db2.gz BZADJEZAGGDANS-LLVKDONJSA-N 0 0 249.701 2.004 50 0 BEAARN O=c1cc(-c2ccc(Cl)cc2)nc2[nH]cnn21 ZINC000018240802 183255443 /nfs/dbraw/zinc/25/54/43/183255443.db2.gz QZXMHUAMDTUZSL-UHFFFAOYSA-N 0 0 246.657 2.150 50 0 BEAARN Oc1cc(-n2cccn2)c(O)c2ccccc12 ZINC000000482546 183257291 /nfs/dbraw/zinc/25/72/91/183257291.db2.gz CLMWWZIVCLLTNC-UHFFFAOYSA-N 0 0 226.235 2.437 50 0 BEAARN O=c1cc(Cl)[nH]cc1Br ZINC000083288399 183258745 /nfs/dbraw/zinc/25/87/45/183258745.db2.gz HKPSSVMYMKAABY-UHFFFAOYSA-N 0 0 208.442 2.203 50 0 BEAARN S=c1nc2[nH]c3ccccc3c2n[nH]1 ZINC000018106957 183315337 /nfs/dbraw/zinc/31/53/37/183315337.db2.gz RPEJKVRRTJDBSN-UHFFFAOYSA-N 0 0 202.242 2.169 50 0 BEAARN CCCN1C(=O)C2=C(CCCC2)[C@@H]1OC ZINC000020123838 169183641 /nfs/dbraw/zinc/18/36/41/169183641.db2.gz PEWRBKAQTIGIQA-LBPRGKRZSA-N 0 0 209.289 2.082 50 0 BEAARN [O-][n+]1nc(Cl)ccc1-c1ccccc1 ZINC000000494614 183319274 /nfs/dbraw/zinc/31/92/74/183319274.db2.gz UVUSYFJAADBBJO-UHFFFAOYSA-N 0 0 206.632 2.035 50 0 BEAARN c1cc(-c2ccnc(N3CCCC3)n2)ccn1 ZINC000067630126 183329588 /nfs/dbraw/zinc/32/95/88/183329588.db2.gz YSDVLTLOUUNGEM-UHFFFAOYSA-N 0 0 226.283 2.139 50 0 BEAARN c1cc2nccc(-c3ccsc3)n2n1 ZINC000072451567 183329712 /nfs/dbraw/zinc/32/97/12/183329712.db2.gz BHTIMGHTIIUQKM-UHFFFAOYSA-N 0 0 201.254 2.458 50 0 BEAARN O=c1[nH][nH]c2c1C[C@@H](c1ccccc1)CC2 ZINC000068575905 183307545 /nfs/dbraw/zinc/30/75/45/183307545.db2.gz YICCKRIEQALKQJ-JTQLQIEISA-N 0 0 214.268 2.388 50 0 BEAARN O=C1N=NC(c2ccccc2Br)O1 ZINC000070030704 183309191 /nfs/dbraw/zinc/30/91/91/183309191.db2.gz LLXKEYIVXPRCCF-UHFFFAOYSA-N 0 0 241.044 2.205 50 0 BEAARN O=c1nc2cc(Br)ccc2c[nH]1 ZINC000040448841 183309451 /nfs/dbraw/zinc/30/94/51/183309451.db2.gz ULVGFLUEASNJTP-UHFFFAOYSA-N 0 0 225.045 2.098 50 0 BEAARN S=C(NCc1ccccc1)NN1CCCCC1 ZINC000003360173 183310941 /nfs/dbraw/zinc/31/09/41/183310941.db2.gz LIHCMPQAQBANLV-UHFFFAOYSA-N 0 0 249.383 2.052 50 0 BEAARN S=C(Nc1ccccc1)NN1CCCCC1 ZINC000001758607 183311276 /nfs/dbraw/zinc/31/12/76/183311276.db2.gz POEJBXKAZYKWFI-UHFFFAOYSA-N 0 0 235.356 2.374 50 0 BEAARN S=C(Nc1ccccn1)NC1CCCC1 ZINC000000467627 183312509 /nfs/dbraw/zinc/31/25/09/183312509.db2.gz QMYNKVURXXUTSW-UHFFFAOYSA-N 0 0 221.329 2.311 50 0 BEAARN CCCNC(=O)CSCc1c(C)noc1C ZINC000041294758 169232034 /nfs/dbraw/zinc/23/20/34/169232034.db2.gz SSCRUPDCHYLTLF-UHFFFAOYSA-N 0 0 242.344 2.051 50 0 BEAARN CCCNC(=O)CSc1nc2ccccc2[nH]1 ZINC000013121397 169232743 /nfs/dbraw/zinc/23/27/43/169232743.db2.gz AAILBDHRXCUUNF-UHFFFAOYSA-N 0 0 249.339 2.181 50 0 BEAARN CCCN1CN(Cc2ccccc2)CNC1=S ZINC000020171165 169210659 /nfs/dbraw/zinc/21/06/59/169210659.db2.gz UDQGEPCHVCVEEX-UHFFFAOYSA-N 0 0 249.383 2.004 50 0 BEAARN CCCN1Cc2cccc(NC(C)=O)c2C1 ZINC000066514998 169211450 /nfs/dbraw/zinc/21/14/50/169211450.db2.gz RVDWUHINFIVFDE-UHFFFAOYSA-N 0 0 218.300 2.371 50 0 BEAARN CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000002740683 169212573 /nfs/dbraw/zinc/21/25/73/169212573.db2.gz NOEGBMFTLFJHRK-SOFGYWHQSA-N 0 0 249.310 2.243 50 0 BEAARN CCCNC(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000022836719 169212945 /nfs/dbraw/zinc/21/29/45/169212945.db2.gz OPHSCFBNYOORNI-GQCTYLIASA-N 0 0 231.295 2.161 50 0 BEAARN c1cc(CNc2ccc3c(c2)OCO3)ccn1 ZINC000000805079 183353098 /nfs/dbraw/zinc/35/30/98/183353098.db2.gz DTUPPQJARLKFDB-UHFFFAOYSA-N 0 0 228.251 2.422 50 0 BEAARN c1cc(NCc2ccc3c(c2)OCCO3)no1 ZINC000083358505 183356706 /nfs/dbraw/zinc/35/67/06/183356706.db2.gz ZNJKFBLHBPQZNN-UHFFFAOYSA-N 0 0 232.239 2.058 50 0 BEAARN CCCNC(=O)CCn1nc(C)c2ccccc21 ZINC000057279373 169217823 /nfs/dbraw/zinc/21/78/23/169217823.db2.gz CHICJMOALFMAAY-UHFFFAOYSA-N 0 0 245.326 2.261 50 0 BEAARN CCCNC(=O)NCCc1ccccc1F ZINC000060474590 169236057 /nfs/dbraw/zinc/23/60/57/169236057.db2.gz ZYBFZAVBPYOQLD-UHFFFAOYSA-N 0 0 224.279 2.077 50 0 BEAARN c1cc2nc(c1)CCc1cccc(n1)CC2 ZINC000005162206 183377501 /nfs/dbraw/zinc/37/75/01/183377501.db2.gz AUSUDAIWAPPVQS-UHFFFAOYSA-N 0 0 210.280 2.360 50 0 BEAARN c1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000000406351 183379543 /nfs/dbraw/zinc/37/95/43/183379543.db2.gz MPNKAPIXYSIUKU-UHFFFAOYSA-N 0 0 222.251 2.329 50 0 BEAARN CCCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000096192700 169245273 /nfs/dbraw/zinc/24/52/73/169245273.db2.gz YBWUGKMFAKMPEK-CQSZACIVSA-N 0 0 246.310 2.096 50 0 BEAARN c1ccc(-c2noc(C3CCC3)n2)nc1 ZINC000000114114 183384526 /nfs/dbraw/zinc/38/45/26/183384526.db2.gz FCTPHBMVNNDUSQ-UHFFFAOYSA-N 0 0 201.229 2.399 50 0 BEAARN CCCNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000009483502 169250352 /nfs/dbraw/zinc/25/03/52/169250352.db2.gz VPMMEJQJQHRGKF-UHFFFAOYSA-N 0 0 232.283 2.316 50 0 BEAARN CCCNC(=O)c1cc(N)ccc1Cl ZINC000008732438 169250386 /nfs/dbraw/zinc/25/03/86/169250386.db2.gz DCSZZSIDBDFJRS-UHFFFAOYSA-N 0 0 212.680 2.062 50 0 BEAARN CCCNC(=O)c1cc2c(s1)N(C)CCC2 ZINC000064542945 169250671 /nfs/dbraw/zinc/25/06/71/169250671.db2.gz YERDIFOBQHUURZ-UHFFFAOYSA-N 0 0 238.356 2.270 50 0 BEAARN CCCNC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000032740615 169252337 /nfs/dbraw/zinc/25/23/37/169252337.db2.gz JZFNWKCUOWHSEW-UHFFFAOYSA-N 0 0 243.310 2.386 50 0 BEAARN CCCNC(=O)c1cn(-c2ccc(C)cc2)cn1 ZINC000226754433 169253283 /nfs/dbraw/zinc/25/32/83/169253283.db2.gz SQUYLEVHKIAYBK-UHFFFAOYSA-N 0 0 243.310 2.321 50 0 BEAARN CCCNC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000057531729 169253312 /nfs/dbraw/zinc/25/33/12/169253312.db2.gz ZJBNECOZEKIKCY-UHFFFAOYSA-N 0 0 246.314 2.152 50 0 BEAARN CCCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000006654688 169272279 /nfs/dbraw/zinc/27/22/79/169272279.db2.gz BLWGWSLJTGXQQU-UHFFFAOYSA-N 0 0 241.356 2.498 50 0 BEAARN CCCSCC(=O)Nc1ncccc1C ZINC000059368402 169339824 /nfs/dbraw/zinc/33/98/24/169339824.db2.gz KFONTVNLCTVWQB-UHFFFAOYSA-N 0 0 224.329 2.472 50 0 BEAARN CCCSc1ccccc1CN(C)N ZINC000071773286 169341230 /nfs/dbraw/zinc/34/12/30/169341230.db2.gz PXRVDGDMRVEGDK-UHFFFAOYSA-N 0 0 210.346 2.494 50 0 BEAARN CCCOc1ccc(CNC(C)=O)cc1OC ZINC000047450455 169318799 /nfs/dbraw/zinc/31/87/99/169318799.db2.gz VTPLMFVFJMJTAY-UHFFFAOYSA-N 0 0 237.299 2.120 50 0 BEAARN CCC[C@@H](C(=O)NC[C@H](C)CO)c1ccccc1 ZINC000084740467 169345065 /nfs/dbraw/zinc/34/50/65/169345065.db2.gz AKHXAOLGUIZODA-GXTWGEPZSA-N 0 0 249.354 2.315 50 0 BEAARN CCC[C@@H](C)C(=O)Nc1nnc(COC)s1 ZINC000000249732 169353850 /nfs/dbraw/zinc/35/38/50/169353850.db2.gz NYRNRVKGRWIAJV-SSDOTTSWSA-N 0 0 243.332 2.059 50 0 BEAARN CCC[C@@H](C)C(C(=O)OCC)C(=O)OCC ZINC000001712481 169354181 /nfs/dbraw/zinc/35/41/81/169354181.db2.gz RQFSNEWORATSCC-SECBINFHSA-N 0 0 230.304 2.165 50 0 BEAARN CCC[C@@H](C)NS(=O)(=O)Cc1ccccc1 ZINC000000030367 169370537 /nfs/dbraw/zinc/37/05/37/169370537.db2.gz CHJFBHIECXPTTH-LLVKDONJSA-N 0 0 241.356 2.295 50 0 BEAARN CCC[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000000611326 169370556 /nfs/dbraw/zinc/37/05/56/169370556.db2.gz MJAFVJNGXSIHLG-MRVPVSSYSA-N 0 0 233.358 2.215 50 0 BEAARN CCC[C@@H](C)c1cc(NC(=O)c2cc[nH]n2)n[nH]1 ZINC000076087980 169373998 /nfs/dbraw/zinc/37/39/98/169373998.db2.gz USPLHHUEKBZTPV-MRVPVSSYSA-N 0 0 247.302 2.289 50 0 BEAARN CC(C)(C)OC(=O)Cc1ccccc1O ZINC000157283901 166640934 /nfs/dbraw/zinc/64/09/34/166640934.db2.gz WQKQVLJLRPWESF-UHFFFAOYSA-N 0 0 208.257 2.276 50 0 BEAARN CCC[C@@H](O)c1nc2ccccc2n1C ZINC000020897542 169412821 /nfs/dbraw/zinc/41/28/21/169412821.db2.gz LVPMAHNONVBCSE-LLVKDONJSA-N 0 0 204.273 2.407 50 0 BEAARN CCC[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000032668076 169470865 /nfs/dbraw/zinc/47/08/65/169470865.db2.gz MKKREYTWDYEBFD-GARJFASQSA-N 0 0 213.321 2.058 50 0 BEAARN CC(C)(C)OC(=O)NCCc1cccc(O)c1 ZINC000034606763 166660908 /nfs/dbraw/zinc/66/09/08/166660908.db2.gz OWIZBOBVXITREP-UHFFFAOYSA-N 0 0 237.299 2.459 50 0 BEAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000071372400 166663138 /nfs/dbraw/zinc/66/31/38/166663138.db2.gz MAONMXZZIKVZBB-VHSXEESVSA-N 0 0 229.320 2.062 50 0 BEAARN CCCn1c2nc3ccccc3n2c(=O)cc1C ZINC000013957708 169612601 /nfs/dbraw/zinc/61/26/01/169612601.db2.gz HDDRHIDFWWHHJX-UHFFFAOYSA-N 0 0 241.294 2.368 50 0 BEAARN CCN(C(=O)c1cnn(C)c1)C1CCCCC1 ZINC000032902891 169661649 /nfs/dbraw/zinc/66/16/49/169661649.db2.gz CUOMADYXUDEINO-UHFFFAOYSA-N 0 0 235.331 2.215 50 0 BEAARN CS(=O)(=O)Nc1cccc2ccccc21 ZINC000000093595 383826925 /nfs/dbraw/zinc/82/69/25/383826925.db2.gz FSFJVGSCNHVIEZ-UHFFFAOYSA-N 0 0 221.281 2.211 50 0 BEAARN CC(=O)Oc1ccc(-c2csnn2)cc1 ZINC000000110329 383827135 /nfs/dbraw/zinc/82/71/35/383827135.db2.gz JESSYNCAGSGAON-UHFFFAOYSA-N 0 0 220.253 2.130 50 0 BEAARN CC(C)Cc1ccc([C@H](C)C(N)=O)cc1 ZINC000000112494 383827332 /nfs/dbraw/zinc/82/73/32/383827332.db2.gz REUQKCDCQVNKLW-JTQLQIEISA-N 0 0 205.301 2.474 50 0 in-vitro BEAARN CC1(C)[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000000037838 383819137 /nfs/dbraw/zinc/81/91/37/383819137.db2.gz CWGHZIOJFVTEPN-LLVKDONJSA-N 0 0 244.294 2.002 50 0 biogenic BEAARN O=C1c2cccnc2C(=O)N1c1ccc(F)cc1 ZINC000000084697 383823511 /nfs/dbraw/zinc/82/35/11/383823511.db2.gz LPSJFVPPKHCJLY-UHFFFAOYSA-N 0 0 242.209 2.021 50 0 BEAARN COC(=O)c1ccc(Oc2ncccc2N)cc1 ZINC000000153455 383836606 /nfs/dbraw/zinc/83/66/06/383836606.db2.gz PMGSZBRNKMBODO-UHFFFAOYSA-N 0 0 244.250 2.243 50 0 BEAARN COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000163155 383839475 /nfs/dbraw/zinc/83/94/75/383839475.db2.gz VAZWXPJOOFSNLB-UHFFFAOYSA-N 0 0 204.147 2.492 50 0 BEAARN CC(=O)NCc1nc2ccccc2n1C(C)C ZINC000000200653 383840631 /nfs/dbraw/zinc/84/06/31/383840631.db2.gz SEZGUXBRYGQGQC-UHFFFAOYSA-N 0 0 231.299 2.253 50 0 BEAARN Cc1c2nc[nH]c2ncc1Br ZINC000066054855 383844869 /nfs/dbraw/zinc/84/48/69/383844869.db2.gz XVEGORLAVIFJMX-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN O=C1c2cc(O)ccc2-c2ccc(O)cc21 ZINC000000235319 383845411 /nfs/dbraw/zinc/84/54/11/383845411.db2.gz CWHPQXRTQSNTRR-UHFFFAOYSA-N 0 0 212.204 2.309 50 0 BEAARN COC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000238994 383845717 /nfs/dbraw/zinc/84/57/17/383845717.db2.gz NMTSYEXYLBWACN-UHFFFAOYSA-N 0 0 245.234 2.319 50 0 BEAARN CNc1nccc(-c2cccnc2Cl)n1 ZINC000035246496 383846154 /nfs/dbraw/zinc/84/61/54/383846154.db2.gz SPRHXGPRWSLRNY-UHFFFAOYSA-N 0 0 220.663 2.234 50 0 BEAARN O=CN[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000000253145 383848178 /nfs/dbraw/zinc/84/81/78/383848178.db2.gz SXNGBUUSKYLCEZ-GFCCVEGCSA-N 0 0 232.258 2.430 50 0 BEAARN O=C1c2ccccc2[C@@H](O)N1Cc1ccccc1 ZINC000000251863 383848202 /nfs/dbraw/zinc/84/82/02/383848202.db2.gz XEFXQIBENKOFCP-CQSZACIVSA-N 0 0 239.274 2.334 50 0 BEAARN O=C([O-])C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000035287214 383848910 /nfs/dbraw/zinc/84/89/10/383848910.db2.gz XUVZDTOYOJFORO-UHFFFAOYSA-N 0 0 249.241 2.260 50 0 BEAARN Cc1ccc(OCC(=O)Nc2ccncc2)cc1 ZINC000000286087 383850705 /nfs/dbraw/zinc/85/07/05/383850705.db2.gz IIVTVTFSDRGJCD-UHFFFAOYSA-N 0 0 242.278 2.408 50 0 BEAARN CNc1cnn(C2CCCCC2)c(=O)c1Cl ZINC000000271463 383851450 /nfs/dbraw/zinc/85/14/50/383851450.db2.gz CCKVNVQCTNBUFN-UHFFFAOYSA-N 0 0 241.722 2.444 50 0 BEAARN Nn1c2ccccc2nc1Nc1ccccc1 ZINC000000348750 383856611 /nfs/dbraw/zinc/85/66/11/383856611.db2.gz PBEIJMIMHTVPST-UHFFFAOYSA-N 0 0 224.267 2.494 50 0 BEAARN COC(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000000362493 383858597 /nfs/dbraw/zinc/85/85/97/383858597.db2.gz GKJNKMFKODDPST-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 BEAARN Brc1nc(-c2ccccc2)no1 ZINC000066347891 383860539 /nfs/dbraw/zinc/86/05/39/383860539.db2.gz YIZUZAUECBVCII-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN CC(=O)c1cccc(NC(=O)c2cnoc2C)c1 ZINC000000385417 383861555 /nfs/dbraw/zinc/86/15/55/383861555.db2.gz JUOHUQIZSGXFHT-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN FC1(F)CNCC[C@H]1OCc1ccccc1 ZINC000066351303 383861577 /nfs/dbraw/zinc/86/15/77/383861577.db2.gz OBLKTQVTONDPQK-LLVKDONJSA-N 0 0 227.254 2.200 50 0 BEAARN c1ccc(OCn2nnc3ccccc32)cc1 ZINC000000403152 383863919 /nfs/dbraw/zinc/86/39/19/383863919.db2.gz XZWVGFYDCFRPDZ-UHFFFAOYSA-N 0 0 225.251 2.468 50 0 BEAARN CCc1ccccc1NC(=O)N1CCOCC1 ZINC000000396993 383864616 /nfs/dbraw/zinc/86/46/16/383864616.db2.gz YGRNKWCUVAGEBE-UHFFFAOYSA-N 0 0 234.299 2.113 50 0 BEAARN Fc1cccc(I)c1 ZINC000000407029 383865724 /nfs/dbraw/zinc/86/57/24/383865724.db2.gz VSKSBSORLCDRHS-UHFFFAOYSA-N 0 0 222.000 2.430 50 0 BEAARN O=C1NCCS[C@H]1c1ccc(Cl)cc1 ZINC000000405394 383866428 /nfs/dbraw/zinc/86/64/28/383866428.db2.gz FRRFWPTXLKLQRF-VIFPVBQESA-N 0 0 227.716 2.244 50 0 BEAARN Cc1ccc(O)c(-c2nc([C@@H]3CCOC3)no2)c1 ZINC000087810161 383867310 /nfs/dbraw/zinc/86/73/10/383867310.db2.gz UIRNPIIUBUQXAA-SECBINFHSA-N 0 0 246.266 2.255 50 0 BEAARN CCC(=O)NC(=S)Nc1ccccc1F ZINC000000456096 383867771 /nfs/dbraw/zinc/86/77/71/383867771.db2.gz KZGGJWVXUJYZBA-UHFFFAOYSA-N 0 0 226.276 2.049 50 0 BEAARN COC(=O)c1sc2ccccc2c1N ZINC000000442804 383868115 /nfs/dbraw/zinc/86/81/15/383868115.db2.gz VLHHEYMZLXKSQO-UHFFFAOYSA-N 0 0 207.254 2.270 50 0 BEAARN Cc1nnc(CNc2cc(F)ccc2F)n1C ZINC000035695870 383869475 /nfs/dbraw/zinc/86/94/75/383869475.db2.gz MSEDTKJHAOOWTB-UHFFFAOYSA-N 0 0 238.241 2.014 50 0 BEAARN CC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000000449366 383870045 /nfs/dbraw/zinc/87/00/45/383870045.db2.gz DNFXKSUGBAZZSZ-UHFFFAOYSA-N 0 0 232.235 2.069 50 0 biogenic BEAARN Cc1ccc(C)c(C(=O)NC[C@H]2CCCO2)c1 ZINC000000514720 383875556 /nfs/dbraw/zinc/87/55/56/383875556.db2.gz JHQSEBRJOQYXOX-GFCCVEGCSA-N 0 0 233.311 2.212 50 0 BEAARN CC(C)CCS(=O)(=O)c1cccc(N)c1 ZINC000088063562 383876777 /nfs/dbraw/zinc/87/67/77/383876777.db2.gz BPPLBTGXTYNCCN-UHFFFAOYSA-N 0 0 227.329 2.089 50 0 BEAARN Cc1ccc(N)cc1S(=O)(=O)C1CCCC1 ZINC000088065986 383878654 /nfs/dbraw/zinc/87/86/54/383878654.db2.gz HJQVJTIMGZFEBI-UHFFFAOYSA-N 0 0 239.340 2.294 50 0 BEAARN Cn1ncc2c1ncnc2NC1CCCCC1 ZINC000000116879 383830644 /nfs/dbraw/zinc/83/06/44/383830644.db2.gz LAQOPFYGEKWGOX-UHFFFAOYSA-N 0 0 231.303 2.108 50 0 BEAARN O=C(CC(=O)c1ccccc1)Nc1cccnc1 ZINC000000125927 383831368 /nfs/dbraw/zinc/83/13/68/383831368.db2.gz ADXMYRJWGLASGT-UHFFFAOYSA-N 0 0 240.262 2.293 50 0 BEAARN COC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000000136261 383833461 /nfs/dbraw/zinc/83/34/61/383833461.db2.gz KDYJZZRGSCMQNQ-UHFFFAOYSA-N 0 0 245.234 2.319 50 0 BEAARN CC[C@@H](CO)NC(=S)Nc1ccccc1C ZINC000000141836 383833563 /nfs/dbraw/zinc/83/35/63/383833563.db2.gz IBZQFPVECCBLOJ-JTQLQIEISA-N 0 0 238.356 2.052 50 0 BEAARN O=C(NC[C@@H]1CCCS1)c1ccccc1 ZINC000095965007 383835187 /nfs/dbraw/zinc/83/51/87/383835187.db2.gz LAQUMPWQPAYSHT-NSHDSACASA-N 0 0 221.325 2.312 50 0 BEAARN COC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001609508 383912558 /nfs/dbraw/zinc/91/25/58/383912558.db2.gz FGMUSNHTKNGVQD-AWEZNQCLSA-N 0 0 234.295 2.237 50 0 in-vitro BEAARN Cc1ncc(Br)c(Cl)n1 ZINC000067176031 383914689 /nfs/dbraw/zinc/91/46/89/383914689.db2.gz TXPSNWJFOBWSCB-UHFFFAOYSA-N 0 0 207.458 2.201 50 0 BEAARN CN(Cc1cnccn1)c1nccc2occc21 ZINC000091484105 383918894 /nfs/dbraw/zinc/91/88/94/383918894.db2.gz JEISJSFQZHPCOR-UHFFFAOYSA-N 0 0 240.266 2.254 50 0 BEAARN CC(=O)c1c(F)cccc1NCc1ccnn1C ZINC000091428296 383919273 /nfs/dbraw/zinc/91/92/73/383919273.db2.gz KRUWDSFANNJUFO-UHFFFAOYSA-N 0 0 247.273 2.374 50 0 BEAARN CC(=O)NC(=S)Nc1ccc(C)c(Cl)c1 ZINC000001003712 383886618 /nfs/dbraw/zinc/88/66/18/383886618.db2.gz CQDXEMNQRVBBDR-UHFFFAOYSA-N 0 0 242.731 2.481 50 0 BEAARN Cn1nccc1-c1cc(F)cc(F)c1O ZINC000001048855 383889587 /nfs/dbraw/zinc/88/95/87/383889587.db2.gz HIZSDAKVKRVNBV-UHFFFAOYSA-N 0 0 210.183 2.071 50 0 BEAARN CCN(CC)c1ccc(NC(N)=S)c(C)c1 ZINC000001389798 383895973 /nfs/dbraw/zinc/89/59/73/383895973.db2.gz JXYHFGIKANBXOA-UHFFFAOYSA-N 0 0 237.372 2.497 50 0 BEAARN CNc1nc(-c2cccc(N)c2)cs1 ZINC000001393781 383896273 /nfs/dbraw/zinc/89/62/73/383896273.db2.gz LRKWHBKBCOTUJJ-UHFFFAOYSA-N 0 0 205.286 2.434 50 0 BEAARN Cc1noc(OCc2cccc(F)c2F)n1 ZINC000071886192 383896866 /nfs/dbraw/zinc/89/68/66/383896866.db2.gz QVFZPNJBUZMOSM-UHFFFAOYSA-N 0 0 226.182 2.235 50 0 BEAARN CC(C)CCN1c2ccccc2[C@@H](N)C1=O ZINC000037052187 383933912 /nfs/dbraw/zinc/93/39/12/383933912.db2.gz HVKCLARFLHOYSW-GFCCVEGCSA-N 0 0 218.300 2.079 50 0 BEAARN C=CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000036334219 383899871 /nfs/dbraw/zinc/89/98/71/383899871.db2.gz ATXSCAYAPIDSHH-UHFFFAOYSA-N 0 0 241.674 2.482 50 0 BEAARN Nc1nn(Cc2ccc(F)cc2)cc1Cl ZINC000002578497 383978591 /nfs/dbraw/zinc/97/85/91/383978591.db2.gz QQJBDSCPPXFDGS-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN CC(C)CCN1c2ccccc2C(=O)C1=O ZINC000003245256 384002180 /nfs/dbraw/zinc/00/21/80/384002180.db2.gz IXZVZVSXNXWRBG-UHFFFAOYSA-N 0 0 217.268 2.262 50 0 BEAARN COC(=O)c1cc2[nH]cc(Cl)cc-2n1 ZINC000037593693 383985930 /nfs/dbraw/zinc/98/59/30/383985930.db2.gz KJDJURGGHBNVMM-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN C[NH2+][C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000037658175 383989324 /nfs/dbraw/zinc/98/93/24/383989324.db2.gz OOFGEQUHLWRWCS-GFCCVEGCSA-N 0 0 233.702 2.439 50 0 BEAARN CC(=O)Nc1ccc2c(c1)C1CCN2CC1 ZINC000071404361 383990706 /nfs/dbraw/zinc/99/07/06/383990706.db2.gz DAUZARYYBNFERY-UHFFFAOYSA-N 0 0 216.284 2.342 50 0 BEAARN CCC[C@H](C)NC(=O)COc1ccccc1 ZINC000002831835 383990860 /nfs/dbraw/zinc/99/08/60/383990860.db2.gz ADJRZWSPFYESOJ-NSHDSACASA-N 0 0 221.300 2.370 50 0 BEAARN CC(C)=CC/C=C1\CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000100244568 383994099 /nfs/dbraw/zinc/99/40/99/383994099.db2.gz XPGHNXMVHVOVHW-AMYKANGRSA-N 0 0 233.311 2.342 50 0 BEAARN COC(=O)c1cc(-c2ccccc2C)no1 ZINC000000266324 383994954 /nfs/dbraw/zinc/99/49/54/383994954.db2.gz WQHONNZEEONLAX-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN c1ccc(OCc2nc([C@@H]3CCOC3)no2)cc1 ZINC000089845806 383999432 /nfs/dbraw/zinc/99/94/32/383999432.db2.gz PKSLXOMJSHDVQX-SNVBAGLBSA-N 0 0 246.266 2.153 50 0 BEAARN c1c[nH]c(-c2ccc(-n3ccnc3)cc2)n1 ZINC000067727199 383937909 /nfs/dbraw/zinc/93/79/09/383937909.db2.gz YQPNPJVJLFQVKR-UHFFFAOYSA-N 0 0 210.240 2.262 50 0 BEAARN Cn1cccc1-c1nnc(C2(C)CCOCC2)o1 ZINC000071889876 383944197 /nfs/dbraw/zinc/94/41/97/383944197.db2.gz ADTIPGSXSDZDHB-UHFFFAOYSA-N 0 0 247.298 2.143 50 0 BEAARN C[S@@](=O)c1cccc(Br)c1 ZINC000067801347 383946511 /nfs/dbraw/zinc/94/65/11/383946511.db2.gz FAGYVSVOUYMGTM-JTQLQIEISA-N 0 0 219.103 2.187 50 0 BEAARN CCC[C@H](C)C(C(=O)OCC)C(=O)OCC ZINC000002043956 383947467 /nfs/dbraw/zinc/94/74/67/383947467.db2.gz RQFSNEWORATSCC-VIFPVBQESA-N 0 0 230.304 2.165 50 0 BEAARN CC[C@@H](NC(=O)c1occc1C)c1ccnn1C ZINC000067869375 383954190 /nfs/dbraw/zinc/95/41/90/383954190.db2.gz SXUQWWSLZAEVHK-SNVBAGLBSA-N 0 0 247.298 2.203 50 0 BEAARN Cc1ccc(C(=O)CSc2nc[nH]n2)c(C)c1 ZINC000002476921 383966638 /nfs/dbraw/zinc/96/66/38/383966638.db2.gz NCKSUBZRCHEITP-UHFFFAOYSA-N 0 0 247.323 2.397 50 0 BEAARN CC(C)(C)OC(=O)n1ncc2cc(N)ccc21 ZINC000002526915 383971522 /nfs/dbraw/zinc/97/15/22/383971522.db2.gz LRSDPIIWOZRHNJ-UHFFFAOYSA-N 0 0 233.271 2.402 50 0 BEAARN C[C@]1(C(Cl)(Cl)Cl)CC(=O)O1 ZINC000002545174 383974151 /nfs/dbraw/zinc/97/41/51/383974151.db2.gz MIYJBPXTAZJPGX-SCSAIBSYSA-N 0 0 203.452 2.062 50 0 BEAARN Cc1nn(Cc2ccccc2F)c(C)c1N ZINC000002558382 383974376 /nfs/dbraw/zinc/97/43/76/383974376.db2.gz FORLBQHCNWXONX-UHFFFAOYSA-N 0 0 219.263 2.270 50 0 BEAARN COC(=O)[C@](C)(N)c1ccc(Cl)c(Cl)c1 ZINC000037459717 383977589 /nfs/dbraw/zinc/97/75/89/383977589.db2.gz BYWKSTSGBJNLMJ-SNVBAGLBSA-N 0 0 248.109 2.340 50 0 biogenic BEAARN CN(Cc1ccco1)C(=O)c1ccco1 ZINC000006675752 384016789 /nfs/dbraw/zinc/01/67/89/384016789.db2.gz ZWSLDSODOLVDEX-UHFFFAOYSA-N 0 0 205.213 2.145 50 0 BEAARN Nc1nnc(CCCc2ccccc2)s1 ZINC000003716261 384025541 /nfs/dbraw/zinc/02/55/41/384025541.db2.gz DNTUIWPRHKUTQH-UHFFFAOYSA-N 0 0 219.313 2.296 50 0 BEAARN CC(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1 ZINC000004194481 384043950 /nfs/dbraw/zinc/04/39/50/384043950.db2.gz RQCHHDFVZDEOJI-UHFFFAOYSA-N 0 0 244.250 2.438 50 0 BEAARN CCN(CC1CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000071899769 384046925 /nfs/dbraw/zinc/04/69/25/384046925.db2.gz HFFYCWBLIYAQLK-UHFFFAOYSA-N 0 0 247.294 2.287 50 0 BEAARN O=C(CC1CCC1)NC1CC(F)(F)C1 ZINC000336516140 384047144 /nfs/dbraw/zinc/04/71/44/384047144.db2.gz HCHGUPBHCHXGGO-UHFFFAOYSA-N 0 0 203.232 2.091 50 0 BEAARN CCN(C)C(=O)Oc1cccc(C(C)=O)c1 ZINC000090411515 384047540 /nfs/dbraw/zinc/04/75/40/384047540.db2.gz ABNQSLSOFYAGHU-UHFFFAOYSA-N 0 0 221.256 2.340 50 0 BEAARN CCc1ccc(Cn2nccc2N)cc1 ZINC000004218433 384048093 /nfs/dbraw/zinc/04/80/93/384048093.db2.gz VVHWFWMASNZCSA-UHFFFAOYSA-N 0 0 201.273 2.076 50 0 BEAARN Cc1cc(C)c([C@@H]([NH3+])CC(=O)[O-])cc1C ZINC000004234733 384048226 /nfs/dbraw/zinc/04/82/26/384048226.db2.gz BSNQNMBWAZLROU-NSHDSACASA-N 0 0 207.273 2.086 50 0 BEAARN COC(=O)c1ccc(-c2cccc(N)c2)o1 ZINC000004245261 384049911 /nfs/dbraw/zinc/04/99/11/384049911.db2.gz IZIZPLREWPTKFV-UHFFFAOYSA-N 0 0 217.224 2.315 50 0 BEAARN O=C(C(F)(F)F)C(F)(F)Br ZINC000004242004 384050976 /nfs/dbraw/zinc/05/09/76/384050976.db2.gz IYDJQZOFWOSTFO-UHFFFAOYSA-N 0 0 226.926 2.106 50 0 BEAARN CCNC(=O)N1CC[C@@H](OCc2ccccc2)C1 ZINC000257184643 384051942 /nfs/dbraw/zinc/05/19/42/384051942.db2.gz VABKICJVNDEYJQ-CYBMUJFWSA-N 0 0 248.326 2.007 50 0 BEAARN COC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000003906380 384033228 /nfs/dbraw/zinc/03/32/28/384033228.db2.gz QQBASWCUEOBWNQ-UHFFFAOYSA-N 0 0 216.240 2.172 50 0 BEAARN CC(C)=CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004056702 384038881 /nfs/dbraw/zinc/03/88/81/384038881.db2.gz AIPHYWJNIMEZBR-UHFFFAOYSA-N 0 0 233.267 2.363 50 0 BEAARN O=CNCc1ccc(Cl)cc1Cl ZINC000038534542 384086169 /nfs/dbraw/zinc/08/61/69/384086169.db2.gz RSXOASQFXMIGOZ-UHFFFAOYSA-N 0 0 204.056 2.239 50 0 BEAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000004291314 384054575 /nfs/dbraw/zinc/05/45/75/384054575.db2.gz YWWJNWUVNHXUKS-IYSWYEEDSA-N 0 0 219.210 2.499 50 0 BEAARN O=Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000004503352 384064861 /nfs/dbraw/zinc/06/48/61/384064861.db2.gz VZQVRKCGPMBZQL-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN COc1cc(F)c(Br)cc1CO ZINC000090727474 384070618 /nfs/dbraw/zinc/07/06/18/384070618.db2.gz PIQKTQNGUGJNSD-UHFFFAOYSA-N 0 0 235.052 2.089 50 0 BEAARN CN(CC1CCCC1)C(=O)c1cscn1 ZINC000078487884 384074040 /nfs/dbraw/zinc/07/40/40/384074040.db2.gz RCSIISCUKWFAPY-UHFFFAOYSA-N 0 0 224.329 2.405 50 0 BEAARN CCC1(CC)Nc2ccccc2C(=O)N1 ZINC000039341752 384110955 /nfs/dbraw/zinc/11/09/55/384110955.db2.gz MPPQVKBWWYRGDM-UHFFFAOYSA-N 0 0 204.273 2.358 50 0 BEAARN O=c1[nH]ccn2nc(-c3cccc(Cl)c3)cc12 ZINC000070459035 384111788 /nfs/dbraw/zinc/11/17/88/384111788.db2.gz JNPHDXABGRZHHC-UHFFFAOYSA-N 0 0 245.669 2.343 50 0 BEAARN C=CC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]21 ZINC000039363471 384113523 /nfs/dbraw/zinc/11/35/23/384113523.db2.gz FUAUEJPEWIQMAI-YBXAARCKSA-N 0 0 204.269 2.316 50 0 BEAARN COc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000005526956 384117319 /nfs/dbraw/zinc/11/73/19/384117319.db2.gz IGDALZOUOOXQOW-UHFFFAOYSA-N 0 0 233.311 2.250 50 0 BEAARN c1ccc2c(c1)nnn2[C@@H]1CCCCO1 ZINC000005521054 384117526 /nfs/dbraw/zinc/11/75/26/384117526.db2.gz LEMXRUFANZFVFB-NSHDSACASA-N 0 0 203.245 2.130 50 0 BEAARN CC[C@@H](C(=O)N(C)Cc1ccoc1)n1cccn1 ZINC000091650057 384136878 /nfs/dbraw/zinc/13/68/78/384136878.db2.gz IIPXKLWHLLSUIN-LBPRGKRZSA-N 0 0 247.298 2.086 50 0 BEAARN C/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000005566307 384121165 /nfs/dbraw/zinc/12/11/65/384121165.db2.gz DCVIMWRFFDRWJM-SZHMKSFOSA-N 0 0 231.251 2.283 50 0 BEAARN CC(C)(C)OC(=O)N1CC2(C1)CCC(O)CC2 ZINC000091363965 384121371 /nfs/dbraw/zinc/12/13/71/384121371.db2.gz NQHGYUZNWXIZID-UHFFFAOYSA-N 0 0 241.331 2.158 50 0 BEAARN CC1(C)NC(=O)c2ccc(Br)cc21 ZINC000116289860 384123832 /nfs/dbraw/zinc/12/38/32/384123832.db2.gz UQWABTUVMQZARA-UHFFFAOYSA-N 0 0 240.100 2.428 50 0 BEAARN COC(=O)/C=C/c1cc(C)cnc1Cl ZINC000039961299 384125308 /nfs/dbraw/zinc/12/53/08/384125308.db2.gz KNMMNFCPGOFVTG-ONEGZZNKSA-N 0 0 211.648 2.230 50 0 BEAARN CSCc1ncnn1-c1ccc(F)c(F)c1 ZINC000091494468 384131270 /nfs/dbraw/zinc/13/12/70/384131270.db2.gz OVEIYNYIVNIKIA-UHFFFAOYSA-N 0 0 241.266 2.409 50 0 BEAARN Cc1noc([C@H]2CCC(=O)N(C3CCCC3)C2)n1 ZINC000091548633 384132272 /nfs/dbraw/zinc/13/22/72/384132272.db2.gz RCJYQNQLKGTNCF-JTQLQIEISA-N 0 0 249.314 2.027 50 0 BEAARN Cn1cc(-c2ncnn2C2CCCCC2)cn1 ZINC000091808560 384147922 /nfs/dbraw/zinc/14/79/22/384147922.db2.gz CMPYAONRLLDSTI-UHFFFAOYSA-N 0 0 231.303 2.184 50 0 BEAARN O=Cc1cnc(Cl)c(Br)c1 ZINC000040447854 384152367 /nfs/dbraw/zinc/15/23/67/384152367.db2.gz JUMZDNQKFRBLAB-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN O=Cc1c(Cl)nc(N2CCCC2)nc1Cl ZINC000040449977 384152914 /nfs/dbraw/zinc/15/29/14/384152914.db2.gz QPQPNBHOKOYKQT-UHFFFAOYSA-N 0 0 246.097 2.196 50 0 BEAARN Cc1ccc(S(C)(=O)=O)cc1Br ZINC000040456683 384153651 /nfs/dbraw/zinc/15/36/51/384153651.db2.gz AIRSBUZFXFIKHJ-UHFFFAOYSA-N 0 0 249.129 2.161 50 0 BEAARN CC(C)C(=O)N1CCC2(CCCCO2)CC1 ZINC000257195892 384139759 /nfs/dbraw/zinc/13/97/59/384139759.db2.gz XBBQNGBKOSFPFW-UHFFFAOYSA-N 0 0 225.332 2.204 50 0 BEAARN Nc1cncc(C[C@H]2COc3ccccc3C2)c1 ZINC000091708222 384140575 /nfs/dbraw/zinc/14/05/75/384140575.db2.gz WFGSPAAEEDRHHQ-GFCCVEGCSA-N 0 0 240.306 2.458 50 0 BEAARN CC(C)c1noc(CNC(=O)OC(C)(C)C)n1 ZINC000091696064 384140847 /nfs/dbraw/zinc/14/08/47/384140847.db2.gz NWLQWHVWLUHBFG-UHFFFAOYSA-N 0 0 241.291 2.218 50 0 BEAARN Cc1ccc(CN2C[C@@]3(CCOC3)CCC2=O)o1 ZINC000091745287 384144217 /nfs/dbraw/zinc/14/42/17/384144217.db2.gz XQCOJVYQPUERNF-AWEZNQCLSA-N 0 0 249.310 2.117 50 0 BEAARN CS[C@H]1CCN(c2ncccc2F)C1 ZINC000294955245 384145828 /nfs/dbraw/zinc/14/58/28/384145828.db2.gz JIQNUAKKYMIUIX-QMMMGPOBSA-N 0 0 212.293 2.162 50 0 BEAARN O=C(c1ccncc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071589625 384172234 /nfs/dbraw/zinc/17/22/34/384172234.db2.gz FIIULBQPRHNAFY-BETUJISGSA-N 0 0 228.295 2.120 50 0 BEAARN Cc1nnsc1C(=O)Nc1ccc(F)cc1 ZINC000000385513 384161948 /nfs/dbraw/zinc/16/19/48/384161948.db2.gz WQAIZPRUUBPCFA-UHFFFAOYSA-N 0 0 237.259 2.238 50 0 BEAARN CC[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006741306 384164423 /nfs/dbraw/zinc/16/44/23/384164423.db2.gz SENWZZNZKFLEOP-JTQLQIEISA-N 0 0 241.356 2.450 50 0 BEAARN CCc1ccc(NC(=O)N2CCN(C)CC2)cc1 ZINC000006741172 384165840 /nfs/dbraw/zinc/16/58/40/384165840.db2.gz KWISSMXJOPHENL-UHFFFAOYSA-N 0 0 247.342 2.028 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N(C)c1nc2ccccc2n1C ZINC000097377807 384184743 /nfs/dbraw/zinc/18/47/43/384184743.db2.gz VHVNIXDJXNEZLR-NXEZZACHSA-N 0 0 243.310 2.192 50 0 BEAARN O=S1(=O)CCCc2[nH]c3ccccc3c2CC1 ZINC000071773410 384177846 /nfs/dbraw/zinc/17/78/46/384177846.db2.gz KVKHLFFVFVJKCD-UHFFFAOYSA-N 0 0 249.335 2.071 50 0 BEAARN CC(C)(C)c1nnc(NCc2cncs2)o1 ZINC000097375374 384178104 /nfs/dbraw/zinc/17/81/04/384178104.db2.gz QQYVUHIRVCGLPH-UHFFFAOYSA-N 0 0 238.316 2.436 50 0 BEAARN CC[C@@H](C)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000097376647 384182163 /nfs/dbraw/zinc/18/21/63/384182163.db2.gz KGUGDEOTIRHQJE-SSDOTTSWSA-N 0 0 222.292 2.057 50 0 BEAARN Cc1cnc(C(=O)N(C)[C@@H](C)c2ccco2)cn1 ZINC000071867022 384183619 /nfs/dbraw/zinc/18/36/19/384183619.db2.gz WYEAPGIPKGLAAJ-JTQLQIEISA-N 0 0 245.282 2.211 50 0 BEAARN CSCC(=O)Nc1ccc2c(c1)CCC2 ZINC000007801965 384186723 /nfs/dbraw/zinc/18/67/23/384186723.db2.gz HWWYACLMDDKGEN-UHFFFAOYSA-N 0 0 221.325 2.477 50 0 BEAARN C[C@H]1CCC[C@@H](OCC(=O)Nc2cnccn2)C1 ZINC000097379900 384190917 /nfs/dbraw/zinc/19/09/17/384190917.db2.gz ZECMPNSYZKPSBB-WDEREUQCSA-N 0 0 249.314 2.010 50 0 BEAARN COC(=O)c1cccc(C(=O)NCC2CCC2)c1 ZINC000048702662 384191998 /nfs/dbraw/zinc/19/19/98/384191998.db2.gz HBPSVZNASYYJFA-UHFFFAOYSA-N 0 0 247.294 2.003 50 0 BEAARN Cc1ccc(F)c(O[C@H](C)C(=O)NC(C)C)c1 ZINC000071916397 384193810 /nfs/dbraw/zinc/19/38/10/384193810.db2.gz PFWZWQJCBOHRPI-SNVBAGLBSA-N 0 0 239.290 2.426 50 0 BEAARN Cc1cc(C(=O)NC2(C(F)F)CC2)oc1C ZINC000336573338 384241056 /nfs/dbraw/zinc/24/10/56/384241056.db2.gz DGFMRYOSBMQICT-UHFFFAOYSA-N 0 0 229.226 2.424 50 0 BEAARN CN(Cc1ncccn1)c1ccccc1F ZINC000336589146 384241094 /nfs/dbraw/zinc/24/10/94/384241094.db2.gz GJLYITOQUMXMOC-UHFFFAOYSA-N 0 0 217.247 2.252 50 0 BEAARN Cc1cncc(NC(=O)c2cc(F)c[nH]2)c1 ZINC000336512850 384232605 /nfs/dbraw/zinc/23/26/05/384232605.db2.gz ILTHXAGFYMECBE-UHFFFAOYSA-N 0 0 219.219 2.110 50 0 BEAARN O=C(Nc1nccs1)N[C@@H]1CC[C@@H](F)C1 ZINC000336359264 384217256 /nfs/dbraw/zinc/21/72/56/384217256.db2.gz NCAHWPDIXGFDMM-RNFRBKRXSA-N 0 0 229.280 2.155 50 0 BEAARN Cn1cc(C[NH2+][C@H]2CCCC(F)(F)C2)cn1 ZINC000336363715 384217568 /nfs/dbraw/zinc/21/75/68/384217568.db2.gz ZJXSEACKIIWDNQ-JTQLQIEISA-N 0 0 229.274 2.088 50 0 BEAARN CSCCC(=O)N1CCn2cccc2[C@@H]1C ZINC000036396697 384222280 /nfs/dbraw/zinc/22/22/80/384222280.db2.gz WJYVHKSIKLICMV-JTQLQIEISA-N 0 0 238.356 2.144 50 0 BEAARN Cc1cncc(CN2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000286114450 384243512 /nfs/dbraw/zinc/24/35/12/384243512.db2.gz LUCJMAVCKKBTEK-CQSZACIVSA-N 0 0 242.326 2.450 50 0 BEAARN CCOC[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC000408519562 384277034 /nfs/dbraw/zinc/27/70/34/384277034.db2.gz NTBXWXGDLPOCDH-GFCCVEGCSA-N 0 0 237.343 2.372 50 0 BEAARN CC(C)(C)CNC(=O)NC1CCSCC1 ZINC000069629002 384246278 /nfs/dbraw/zinc/24/62/78/384246278.db2.gz LYIKHQWQGTYCKO-UHFFFAOYSA-N 0 0 230.377 2.227 50 0 BEAARN COc1ncccc1C(=O)c1cccs1 ZINC000043210665 384265224 /nfs/dbraw/zinc/26/52/24/384265224.db2.gz LAEUNQSEPMMGIM-UHFFFAOYSA-N 0 0 219.265 2.383 50 0 BEAARN O=C(CCc1cncnc1)NCCC1=CCCC1 ZINC000408517084 384267118 /nfs/dbraw/zinc/26/71/18/384267118.db2.gz PRNNBATXYONDAA-UHFFFAOYSA-N 0 0 245.326 2.026 50 0 BEAARN COC(=O)/C=C/c1ccc(Cn2ccnc2)cc1 ZINC000015022126 384268192 /nfs/dbraw/zinc/26/81/92/384268192.db2.gz FTLRFDGBBQSQMJ-VOTSOKGWSA-N 0 0 242.278 2.118 50 0 BEAARN Cc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1 ZINC000000029551 384272109 /nfs/dbraw/zinc/27/21/09/384272109.db2.gz LSMIXQRKQYHFDC-UHFFFAOYSA-N 0 0 241.356 2.299 50 0 BEAARN CC(=O)c1nc(F)ccc1Br ZINC000215773152 384272845 /nfs/dbraw/zinc/27/28/45/384272845.db2.gz XDGVMQPDGYNPGS-UHFFFAOYSA-N 0 0 218.025 2.186 50 0 BEAARN C[C@H](CCn1cccn1)OC(=O)c1ccco1 ZINC000097050244 384308906 /nfs/dbraw/zinc/30/89/06/384308906.db2.gz BHWQTWXJVIBPJR-SNVBAGLBSA-N 0 0 234.255 2.112 50 0 BEAARN C[C@@H](CCn1cccn1)OC(=O)c1ccco1 ZINC000097050242 384309023 /nfs/dbraw/zinc/30/90/23/384309023.db2.gz BHWQTWXJVIBPJR-JTQLQIEISA-N 0 0 234.255 2.112 50 0 BEAARN COc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012341362 384310552 /nfs/dbraw/zinc/31/05/52/384310552.db2.gz WHZJSOHQIFDERC-TXEJJXNPSA-N 0 0 235.327 2.304 50 0 BEAARN O=C1[C@@H]2CSC[C@H]1CN(Cc1ccccc1)C2 ZINC000012410333 384320734 /nfs/dbraw/zinc/32/07/34/384320734.db2.gz ONSHXQWGCKFQFZ-BETUJISGSA-N 0 0 247.363 2.051 50 0 BEAARN COCC[S@@](=O)CCCC1CCCC1 ZINC000097016400 384284235 /nfs/dbraw/zinc/28/42/35/384284235.db2.gz SMTSXPZQKUEYKO-CQSZACIVSA-N 0 0 218.362 2.352 50 0 BEAARN O=C(N[C@H]1CCC[C@@H](F)C1)c1ccoc1 ZINC000335422356 384284745 /nfs/dbraw/zinc/28/47/45/384284745.db2.gz YTBCEEJPZSVQNH-ZJUUUORDSA-N 0 0 211.236 2.290 50 0 BEAARN Cn1nccc1/C=C\C(=O)NCC1CCCCC1 ZINC000097015773 384285758 /nfs/dbraw/zinc/28/57/58/384285758.db2.gz ISNJHBGIAJRQPS-FPLPWBNLSA-N 0 0 247.342 2.130 50 0 BEAARN CON(C)c1cc(C(F)F)nc(SC)n1 ZINC000408523520 384290474 /nfs/dbraw/zinc/29/04/74/384290474.db2.gz KSXWHFXBXOVLEM-UHFFFAOYSA-N 0 0 235.259 2.134 50 0 BEAARN CC(C)c1cc(C(=O)N2CCCCC2)nn1C ZINC000074621241 384297467 /nfs/dbraw/zinc/29/74/67/384297467.db2.gz GGBZVLYTPGJUBT-UHFFFAOYSA-N 0 0 235.331 2.170 50 0 BEAARN Cc1noc(C)c1CC(=O)Nc1ccccc1 ZINC000012787643 384339358 /nfs/dbraw/zinc/33/93/58/384339358.db2.gz RVXRJAMDKMLPPV-UHFFFAOYSA-N 0 0 230.267 2.473 50 0 BEAARN COC(=O)c1ccc(-c2ccc(N)cc2)o1 ZINC000012957755 384344286 /nfs/dbraw/zinc/34/42/86/384344286.db2.gz JOIQXOMSFVFDQY-UHFFFAOYSA-N 0 0 217.224 2.315 50 0 BEAARN COc1cc(Br)c2cc[nH]c2n1 ZINC000044700216 384353777 /nfs/dbraw/zinc/35/37/77/384353777.db2.gz UOCZORJPSDNBFT-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COC(=O)c1ccc(F)c(F)c1Cl ZINC000095093423 384363308 /nfs/dbraw/zinc/36/33/08/384363308.db2.gz OIEYNXFWROGHMB-UHFFFAOYSA-N 0 0 206.575 2.405 50 0 BEAARN C[C@H]1CN(c2ncc(Cl)cn2)CCS1 ZINC000095406801 384374547 /nfs/dbraw/zinc/37/45/47/384374547.db2.gz GIZQCIWQPSCETD-ZETCQYMHSA-N 0 0 229.736 2.072 50 0 BEAARN Cc1ccc([C@@H]2Cc3n[nH]cc3C(=O)C2)o1 ZINC000095117734 384366007 /nfs/dbraw/zinc/36/60/07/384366007.db2.gz YHSIPSHDHQIXJZ-MRVPVSSYSA-N 0 0 216.240 2.224 50 0 BEAARN O=C1CCCc2cn3c4ccccc4nc3nc21 ZINC000095117628 384366068 /nfs/dbraw/zinc/36/60/68/384366068.db2.gz BSGSJBZAJTVWPZ-UHFFFAOYSA-N 0 0 237.262 2.402 50 0 BEAARN c1nnc2sc(-c3c[nH]c4ccccc43)nn12 ZINC000013681064 384367919 /nfs/dbraw/zinc/36/79/19/384367919.db2.gz ZIHMVNOMVNGDQS-UHFFFAOYSA-N 0 0 241.279 2.334 50 0 BEAARN O=c1[nH]c2ccccc2[n+]([O-])c1-c1ccccc1 ZINC000013637247 384368641 /nfs/dbraw/zinc/36/86/41/384368641.db2.gz JUJNJFGOMPIJOT-UHFFFAOYSA-N 0 0 238.246 2.241 50 0 BEAARN Cc1nc(N(C)C)ncc1-c1nc(C(C)C)no1 ZINC000095357039 384370673 /nfs/dbraw/zinc/37/06/73/384370673.db2.gz YWFHSAYUKNDGBE-UHFFFAOYSA-N 0 0 247.302 2.024 50 0 BEAARN Cc1nnc(NCc2cc(-c3ccco3)on2)o1 ZINC000095379977 384370877 /nfs/dbraw/zinc/37/08/77/384370877.db2.gz OVEHXQHVVDTITC-UHFFFAOYSA-N 0 0 246.226 2.238 50 0 BEAARN CC[C@H]([NH2+]CC1OCCO1)c1cccs1 ZINC000097110492 384371470 /nfs/dbraw/zinc/37/14/70/384371470.db2.gz MTQCIPYNPKJRCN-VIFPVBQESA-N 0 0 227.329 2.162 50 0 BEAARN CC(C)c1ccnc(N(C)CC2(CO)CCC2)n1 ZINC000095388778 384371560 /nfs/dbraw/zinc/37/15/60/384371560.db2.gz IQTLLQHXJPNLDK-UHFFFAOYSA-N 0 0 249.358 2.199 50 0 BEAARN CCS[C@@H]1CC[C@H]([N@H+](C)CCCC(=O)[O-])C1 ZINC000174344024 384323294 /nfs/dbraw/zinc/32/32/94/384323294.db2.gz YXEZTWPSOVBOGF-WDEREUQCSA-N 0 0 245.388 2.457 50 0 BEAARN COC(=O)c1ccc(Br)c(F)c1 ZINC000012471436 384323558 /nfs/dbraw/zinc/32/35/58/384323558.db2.gz WDAFDKXHLVMFKA-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccco1)C2 ZINC000097084945 384325199 /nfs/dbraw/zinc/32/51/99/384325199.db2.gz BKOGVIJRUSKVKY-FZMZJTMJSA-N 0 0 249.310 2.055 50 0 BEAARN C[C@H](COc1cccc(F)c1)Nc1ncccn1 ZINC000095394315 384326495 /nfs/dbraw/zinc/32/64/95/384326495.db2.gz KVVDSGCYAAEQLO-SNVBAGLBSA-N 0 0 247.273 2.495 50 0 BEAARN Cc1ccc(C(=O)CCn2ccnc2)cc1 ZINC000095348302 384373073 /nfs/dbraw/zinc/37/30/73/384373073.db2.gz QNKCDQIFYWNORX-UHFFFAOYSA-N 0 0 214.268 2.465 50 0 BEAARN C[C@@H](CC(=O)NCc1ccccc1)n1ccnc1 ZINC000012699451 384332629 /nfs/dbraw/zinc/33/26/29/384332629.db2.gz GCOSGXJCJBOLMI-LBPRGKRZSA-N 0 0 243.310 2.151 50 0 BEAARN C[NH+](C)CCNc1nc2ccccc2s1 ZINC000012769457 384334092 /nfs/dbraw/zinc/33/40/92/384334092.db2.gz ZEOPEVDCXWALAX-UHFFFAOYSA-N 0 0 221.329 2.270 50 0 BEAARN COC[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000097096464 384334026 /nfs/dbraw/zinc/33/40/26/384334026.db2.gz QQJRALFLWWQAPD-LBPRGKRZSA-N 0 0 220.316 2.253 50 0 BEAARN COC(=O)Cc1ccc(OC(F)F)c(F)c1 ZINC000077020734 384392665 /nfs/dbraw/zinc/39/26/65/384392665.db2.gz ZJYNURGSMOFDQA-UHFFFAOYSA-N 0 0 234.173 2.143 50 0 BEAARN Clc1nnc2c(Br)cccn12 ZINC000095743225 384393052 /nfs/dbraw/zinc/39/30/52/384393052.db2.gz NUNTVUDJPRNUME-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Cn1cccc1CCNC(=O)c1ccc(F)cc1 ZINC000000296133 384396001 /nfs/dbraw/zinc/39/60/01/384396001.db2.gz OCTXCUDQGUVETC-UHFFFAOYSA-N 0 0 246.285 2.137 50 0 BEAARN Cc1cc(C)c(C)c(SCC(N)=O)c1C ZINC000005039783 384399119 /nfs/dbraw/zinc/39/91/19/384399119.db2.gz ZXDMGWKSJKEFQF-UHFFFAOYSA-N 0 0 223.341 2.498 50 0 BEAARN Cc1cc(C)cc(Oc2nn(C)cc2N)c1 ZINC000095836611 384402508 /nfs/dbraw/zinc/40/25/08/384402508.db2.gz RYZQOQLKTMSYAI-UHFFFAOYSA-N 0 0 217.272 2.411 50 0 BEAARN O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000095919630 384407249 /nfs/dbraw/zinc/40/72/49/384407249.db2.gz XBDRUHSCAZBDLY-NWDGAFQWSA-N 0 0 237.274 2.169 50 0 BEAARN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(N)=O ZINC000077538748 384411474 /nfs/dbraw/zinc/41/14/74/384411474.db2.gz PVGVEMIKXIVFLG-WPRPVWTQSA-N 0 0 222.263 2.082 50 0 BEAARN COCOc1ccc(Br)cc1 ZINC000014983155 384411784 /nfs/dbraw/zinc/41/17/84/384411784.db2.gz BDRBSCRINVJXKW-UHFFFAOYSA-N 0 0 217.062 2.432 50 0 BEAARN O=C1Nc2cc(Cl)c(Cl)cc2C1=O ZINC000014979614 384412754 /nfs/dbraw/zinc/41/27/54/384412754.db2.gz KIFKRDLEAQUAAW-UHFFFAOYSA-N 0 0 216.023 2.128 50 0 BEAARN Ic1cccc2c[nH]nc21 ZINC000014985968 384413072 /nfs/dbraw/zinc/41/30/72/384413072.db2.gz JBCFWHAFVDMAEU-UHFFFAOYSA-N 0 0 244.035 2.168 50 0 BEAARN O=Cc1cncc(OCCC(F)(F)F)c1 ZINC000135133279 384415892 /nfs/dbraw/zinc/41/58/92/384415892.db2.gz XSJXZBLYNRJDIE-UHFFFAOYSA-N 0 0 219.162 2.225 50 0 BEAARN CC(C)CNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000045969768 384416753 /nfs/dbraw/zinc/41/67/53/384416753.db2.gz AEPQVLGQROGSGY-JTQLQIEISA-N 0 0 239.290 2.365 50 0 BEAARN CCc1ccccc1NC(=O)c1ccn(C)n1 ZINC000000046861 384418064 /nfs/dbraw/zinc/41/80/64/384418064.db2.gz JGVMHFLSXRNLOY-UHFFFAOYSA-N 0 0 229.283 2.235 50 0 BEAARN COC(=O)[C@H](C(C)C)N(C)Cc1ccccc1 ZINC000095495893 384377069 /nfs/dbraw/zinc/37/70/69/384377069.db2.gz IEYNQKIGJUQCNQ-ZDUSSCGKSA-N 0 0 235.327 2.316 50 0 BEAARN COc1ncccc1CNc1cc(C)nc(C)n1 ZINC000032779278 384377759 /nfs/dbraw/zinc/37/77/59/384377759.db2.gz AHEIKEISNFURQT-UHFFFAOYSA-N 0 0 244.298 2.109 50 0 BEAARN CCC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000032768136 384378244 /nfs/dbraw/zinc/37/82/44/384378244.db2.gz WMQZZYADZSJOTQ-GWCFXTLKSA-N 0 0 233.311 2.295 50 0 BEAARN Cc1cscc1C(=O)NCc1ncoc1C ZINC000095450897 384378388 /nfs/dbraw/zinc/37/83/88/384378388.db2.gz ANOZKCRPHQMUDD-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN Cc1[nH]c(=O)c(Br)cc1Cl ZINC000095495978 384380729 /nfs/dbraw/zinc/38/07/29/384380729.db2.gz QDLZTNVFWGSPIY-UHFFFAOYSA-N 0 0 222.469 2.099 50 0 BEAARN c1ccc2c3nc(-c4ccncc4)nn3cnc2c1 ZINC000005012997 384380945 /nfs/dbraw/zinc/38/09/45/384380945.db2.gz YYPFFQHONLZIET-UHFFFAOYSA-N 0 0 247.261 2.340 50 0 BEAARN FC(F)(F)c1cc(Cl)[nH]c(=S)n1 ZINC000095496153 384381490 /nfs/dbraw/zinc/38/14/90/384381490.db2.gz HGOHMWJLZHRSJS-UHFFFAOYSA-N 0 0 214.599 2.438 50 0 BEAARN Cn1ccc2ncc(Br)cc21 ZINC000095642053 384385436 /nfs/dbraw/zinc/38/54/36/384385436.db2.gz WPVYPRJZAOBBBA-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN C[C@@H]1C[C@H](Nc2ccc(F)cn2)CCO1 ZINC000235404238 384385975 /nfs/dbraw/zinc/38/59/75/384385975.db2.gz SYYZWFAFVALURK-PSASIEDQSA-N 0 0 210.252 2.200 50 0 BEAARN CC(C)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000032823763 384387568 /nfs/dbraw/zinc/38/75/68/384387568.db2.gz CWYDMLZXRSPNEI-UHFFFAOYSA-N 0 0 236.246 2.298 50 0 BEAARN COC(=O)c1csc2c1ncnc2Cl ZINC000095707445 384389819 /nfs/dbraw/zinc/38/98/19/384389819.db2.gz FIRXDNARXSAIRC-UHFFFAOYSA-N 0 0 228.660 2.131 50 0 BEAARN Nc1nc2ccnc(Br)c2s1 ZINC000095704834 384390824 /nfs/dbraw/zinc/39/08/24/384390824.db2.gz RUEQHKHDPQAANM-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN FC(F)(F)c1ccc(C2N=NC(=S)O2)nc1 ZINC000015924045 384446407 /nfs/dbraw/zinc/44/64/07/384446407.db2.gz CQVNVBQFNZEMDY-UHFFFAOYSA-N 0 0 247.201 2.439 50 0 BEAARN CCc1ccc2nc3[nH]nc(N)c3cc2c1 ZINC000015990328 384451478 /nfs/dbraw/zinc/45/14/78/384451478.db2.gz HYNZISBOSPUEJO-UHFFFAOYSA-N 0 0 212.256 2.256 50 0 BEAARN Cc1[nH]c(C)c(C=O)c1I ZINC000078582588 384452366 /nfs/dbraw/zinc/45/23/66/384452366.db2.gz KXTRYOCBTZKJJX-UHFFFAOYSA-N 0 0 249.051 2.049 50 0 BEAARN CCCc1cc(-c2nc([C@H]3CCOC3)no2)no1 ZINC000096149545 384436336 /nfs/dbraw/zinc/43/63/36/384436336.db2.gz HRMBOACFRJFUSB-QMMMGPOBSA-N 0 0 249.270 2.181 50 0 BEAARN CCCc1cc(-c2nc([C@@H]3CCOC3)no2)no1 ZINC000096149544 384436418 /nfs/dbraw/zinc/43/64/18/384436418.db2.gz HRMBOACFRJFUSB-MRVPVSSYSA-N 0 0 249.270 2.181 50 0 BEAARN O=Cc1ncc(Br)cc1Cl ZINC000015684487 384438181 /nfs/dbraw/zinc/43/81/81/384438181.db2.gz VDAHJBCDOAWAQA-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN Nc1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1 ZINC000096153594 384439403 /nfs/dbraw/zinc/43/94/03/384439403.db2.gz ZKUVXYNGLMJBHA-UHFFFAOYSA-N 0 0 239.278 2.304 50 0 BEAARN COC(=O)c1cccc2cnc(Cl)nc21 ZINC000048056647 384473704 /nfs/dbraw/zinc/47/37/04/384473704.db2.gz UGPLUBNCOISIQT-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCO1 ZINC000016970901 384476155 /nfs/dbraw/zinc/47/61/55/384476155.db2.gz ZTHUFHDZSOTLRE-PWSUYJOCSA-N 0 0 225.332 2.250 50 0 BEAARN C[C@@H](NC(=O)c1ccc(O)cc1F)C1CCC1 ZINC000165342871 384479856 /nfs/dbraw/zinc/47/98/56/384479856.db2.gz MLBFIBXTIFSWCP-MRVPVSSYSA-N 0 0 237.274 2.450 50 0 BEAARN O=C(Nc1nncs1)NC1CCCCCC1 ZINC000043130963 384498464 /nfs/dbraw/zinc/49/84/64/384498464.db2.gz NFHXIKCIIWWCHZ-UHFFFAOYSA-N 0 0 240.332 2.382 50 0 BEAARN Cc1ccc(C(=O)OCC[C@H]2CCCO2)o1 ZINC000097011903 384498621 /nfs/dbraw/zinc/49/86/21/384498621.db2.gz YNVAUMIQOWROBR-SNVBAGLBSA-N 0 0 224.256 2.314 50 0 BEAARN O=Cc1cccc(OCCCn2ccnc2)c1 ZINC000019094072 384509909 /nfs/dbraw/zinc/50/99/09/384509909.db2.gz FRGWXNAVCRFJAF-UHFFFAOYSA-N 0 0 230.267 2.165 50 0 BEAARN O=c1[nH]ncc(NCCc2ccccc2)c1Cl ZINC000013571193 384486646 /nfs/dbraw/zinc/48/66/46/384486646.db2.gz ZJVSMNUQLFPGLA-UHFFFAOYSA-N 0 0 249.701 2.078 50 0 BEAARN c1[nH]c2ccccc2c1C1N2CCN1CCC2 ZINC000019325117 384516851 /nfs/dbraw/zinc/51/68/51/384516851.db2.gz ZWNNWWUKARWDMJ-UHFFFAOYSA-N 0 0 227.311 2.188 50 0 BEAARN C[C@@H]1C[C@@H](C)C(=O)N(c2ccccc2)C1=O ZINC000002187252 384519464 /nfs/dbraw/zinc/51/94/64/384519464.db2.gz MOBMIENCLDTUDW-NXEZZACHSA-N 0 0 217.268 2.222 50 0 BEAARN C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCOC1 ZINC000098012598 384526104 /nfs/dbraw/zinc/52/61/04/384526104.db2.gz MKOCFTQHXXTDQT-WCQYABFASA-N 0 0 245.322 2.391 50 0 BEAARN CN(Cc1cc(C2CC2)n[nH]1)C[C@H]1CCCCO1 ZINC000019606704 384528721 /nfs/dbraw/zinc/52/87/21/384528721.db2.gz ASNPXANOHGJHMP-CYBMUJFWSA-N 0 0 249.358 2.288 50 0 BEAARN CC(=O)c1ccc(-n2ccnc2C)cc1 ZINC000019871221 384546051 /nfs/dbraw/zinc/54/60/51/384546051.db2.gz LIIAUYRAXKEBGA-UHFFFAOYSA-N 0 0 200.241 2.383 50 0 BEAARN Nc1nc2c(cc(F)cc2Br)o1 ZINC000097757443 384553662 /nfs/dbraw/zinc/55/36/62/384553662.db2.gz DHNFZXANXARPQD-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN CN(Cc1ccno1)Cc1ccccc1F ZINC000066562690 384557017 /nfs/dbraw/zinc/55/70/17/384557017.db2.gz XFWOWWCJOPIJHS-UHFFFAOYSA-N 0 0 220.247 2.446 50 0 BEAARN C[C@H]([NH2+]Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000019787724 384538657 /nfs/dbraw/zinc/53/86/57/384538657.db2.gz RZDVELFLKLIEGH-LURJTMIESA-N 0 0 231.654 2.042 50 0 BEAARN O=C(c1cccc(F)c1)N1CCSC1=S ZINC000049830536 384571732 /nfs/dbraw/zinc/57/17/32/384571732.db2.gz TTXDWIWBVFIDJB-UHFFFAOYSA-N 0 0 241.312 2.300 50 0 BEAARN CCn1nc(C)cc1NC(=O)c1ccco1 ZINC000013656480 384574250 /nfs/dbraw/zinc/57/42/50/384574250.db2.gz ARLNNRXYQNOHLI-UHFFFAOYSA-N 0 0 219.244 2.057 50 0 BEAARN CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000020116526 384574924 /nfs/dbraw/zinc/57/49/24/384574924.db2.gz YPJMRFZTVQPTQW-UHFFFAOYSA-N 0 0 234.299 2.173 50 0 BEAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CO)CC1 ZINC000100004655 384606878 /nfs/dbraw/zinc/60/68/78/384606878.db2.gz KSXPGASLEFGROT-PHIMTYICSA-N 0 0 243.347 2.310 50 0 BEAARN COC(=O)[C@H]1CC(=S)N(c2ccccc2)C1 ZINC000020358009 384613312 /nfs/dbraw/zinc/61/33/12/384613312.db2.gz UUSBHARQPISLSU-VIFPVBQESA-N 0 0 235.308 2.013 50 0 BEAARN Cc1occc1C(=O)OCc1cncs1 ZINC000097050225 384619439 /nfs/dbraw/zinc/61/94/39/384619439.db2.gz MRBRTQIGRGCDKQ-UHFFFAOYSA-N 0 0 223.253 2.402 50 0 BEAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCOC1 ZINC000082337165 384669777 /nfs/dbraw/zinc/66/97/77/384669777.db2.gz LNAGLHNDIUPFLM-YPMHNXCESA-N 0 0 245.322 2.391 50 0 BEAARN Cc1cnc(CNC(=O)c2ccc(C)s2)o1 ZINC000266780111 384674956 /nfs/dbraw/zinc/67/49/56/384674956.db2.gz SQYGUUCBIRJOIR-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN Cc1nc(Cl)cc(N[C@@H](CO)CC(C)C)n1 ZINC000069848805 384648557 /nfs/dbraw/zinc/64/85/57/384648557.db2.gz DPHXCMGSUZBBSX-SECBINFHSA-N 0 0 243.738 2.257 50 0 BEAARN O=C1CCOc2c(F)cc(Cl)cc21 ZINC000075882195 384648972 /nfs/dbraw/zinc/64/89/72/384648972.db2.gz WKZNUTWJAOYUBQ-UHFFFAOYSA-N 0 0 200.596 2.444 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(C)c(F)c2)n[nH]1 ZINC000006942726 384651345 /nfs/dbraw/zinc/65/13/45/384651345.db2.gz BEAMYJKXDIZLQQ-UHFFFAOYSA-N 0 0 233.246 2.418 50 0 BEAARN Cc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)o1 ZINC000051188153 384659813 /nfs/dbraw/zinc/65/98/13/384659813.db2.gz UNGUCYBEACYRKC-LSDHHAIUSA-N 0 0 243.306 2.336 50 0 BEAARN Cc1cnc(N)nc1-c1ccc(F)cc1 ZINC000082442057 384683057 /nfs/dbraw/zinc/68/30/57/384683057.db2.gz CJZGMPUPYWWKSQ-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN O=C(/C=C\c1ccccc1)Nc1nncs1 ZINC000033289584 384690146 /nfs/dbraw/zinc/69/01/46/384690146.db2.gz PORLVXMAXNYUJD-SREVYHEPSA-N 0 0 231.280 2.190 50 0 BEAARN Cc1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000079094910 384712670 /nfs/dbraw/zinc/71/26/70/384712670.db2.gz BFJXQTARMZJQNA-UHFFFAOYSA-N 0 0 233.720 2.044 50 0 BEAARN Cc1cc(O)ccc1I ZINC000021987207 384715072 /nfs/dbraw/zinc/71/50/72/384715072.db2.gz IYKHMSCHNOEGSE-UHFFFAOYSA-N 0 0 234.036 2.305 50 0 BEAARN CC(C)(O)CNC(=O)c1cccc2ccccc21 ZINC000087030235 384777317 /nfs/dbraw/zinc/77/73/17/384777317.db2.gz WDRIVBXNBGXLRD-UHFFFAOYSA-N 0 0 243.306 2.341 50 0 BEAARN O=C1Nc2c(cc(Cl)cc2C(F)(F)F)C1=O ZINC000022223418 384747086 /nfs/dbraw/zinc/74/70/86/384747086.db2.gz WBEGSXWHZFUWGE-UHFFFAOYSA-N 0 0 249.575 2.494 50 0 BEAARN COC(=O)[C@H]1C[C@H](OCc2ccccc2)C1 ZINC000103536110 384779883 /nfs/dbraw/zinc/77/98/83/384779883.db2.gz COSCRJLYEZUUMW-TXEJJXNPSA-N 0 0 220.268 2.155 50 0 BEAARN Cc1cnn(C)c1CNc1cccc(F)c1 ZINC000285380529 384758783 /nfs/dbraw/zinc/75/87/83/384758783.db2.gz GQAKVHLAGZPMMT-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN CSc1nsc(NC(=O)CCC2CC2)n1 ZINC000084630207 384762822 /nfs/dbraw/zinc/76/28/22/384762822.db2.gz QKOXMSYNXKUVRP-UHFFFAOYSA-N 0 0 243.357 2.389 50 0 BEAARN C[C@H](CCO)NC(=O)CCC1CCCCC1 ZINC000084637373 384762928 /nfs/dbraw/zinc/76/29/28/384762928.db2.gz UJGRJPFIKSNSCI-LLVKDONJSA-N 0 0 227.348 2.234 50 0 BEAARN CCCCCNC(=O)COc1ccccc1O ZINC000084743183 384765850 /nfs/dbraw/zinc/76/58/50/384765850.db2.gz WOYFLPMWJIESJO-UHFFFAOYSA-N 0 0 237.299 2.077 50 0 BEAARN COC[C@H](C)Nc1cc(F)cc(F)c1 ZINC000053172316 384766328 /nfs/dbraw/zinc/76/63/28/384766328.db2.gz UUUVVLUBYNPWTI-ZETCQYMHSA-N 0 0 201.216 2.412 50 0 BEAARN Cc1ccc(F)c(NCc2cncn2C)c1 ZINC000085167993 384769109 /nfs/dbraw/zinc/76/91/09/384769109.db2.gz DJBIFWRDYSSEID-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN COC(C)(C)c1noc(-c2ccncc2F)n1 ZINC000085237739 384769273 /nfs/dbraw/zinc/76/92/73/384769273.db2.gz SLKSMGPAYIIETP-UHFFFAOYSA-N 0 0 237.234 2.152 50 0 BEAARN COC(=O)c1ccc(OCc2cc(C)on2)cc1 ZINC000048264663 384823929 /nfs/dbraw/zinc/82/39/29/384823929.db2.gz QCDLTWNKOMRVBW-UHFFFAOYSA-N 0 0 247.250 2.349 50 0 BEAARN CC(=O)c1ccc(N2CCCOC2=O)cc1 ZINC000084011233 384827664 /nfs/dbraw/zinc/82/76/64/384827664.db2.gz CYGYSXWVFUODGI-UHFFFAOYSA-N 0 0 219.240 2.236 50 0 BEAARN CCO[C@H]1C[C@H](N(C)C(C)=O)C12CCCC2 ZINC000084800820 384829573 /nfs/dbraw/zinc/82/95/73/384829573.db2.gz YBYWZUVNRBPVRD-RYUDHWBXSA-N 0 0 225.332 2.203 50 0 BEAARN Nc1ncccc1C(=O)OCc1ccc(F)cc1 ZINC000024757912 384830575 /nfs/dbraw/zinc/83/05/75/384830575.db2.gz USOOXYONYXAZPY-UHFFFAOYSA-N 0 0 246.241 2.160 50 0 BEAARN COC(=O)COc1cc(Cl)ccc1C ZINC000084057841 384831228 /nfs/dbraw/zinc/83/12/28/384831228.db2.gz LPMCIMPPZVHJSX-UHFFFAOYSA-N 0 0 214.648 2.200 50 0 BEAARN CCS(=O)(=O)N(C)C1CCC(C)(C)CC1 ZINC000088280137 384782366 /nfs/dbraw/zinc/78/23/66/384782366.db2.gz NVWLAZBWZQBCKZ-UHFFFAOYSA-N 0 0 233.377 2.237 50 0 BEAARN O=C(Nc1nnc(C2CCCCC2)o1)C1CC1 ZINC000010881422 384790236 /nfs/dbraw/zinc/79/02/36/384790236.db2.gz MDMQRXKDEADZIY-UHFFFAOYSA-N 0 0 235.287 2.466 50 0 BEAARN Cc1ccc(C(=O)Nc2ccccc2O)cn1 ZINC000023450563 384797285 /nfs/dbraw/zinc/79/72/85/384797285.db2.gz OYWBFHMMTFMMLM-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN Cc1ccc(C)c(OCCN2CCOCC2)c1 ZINC000023549817 384800412 /nfs/dbraw/zinc/80/04/12/384800412.db2.gz PQYDNTCGPLQXLW-UHFFFAOYSA-N 0 0 235.327 2.014 50 0 BEAARN COc1cc(N)ccc1OCC1CCC1 ZINC000083837899 384801017 /nfs/dbraw/zinc/80/10/17/384801017.db2.gz YGDIQFXXQCGPTB-UHFFFAOYSA-N 0 0 207.273 2.456 50 0 BEAARN Clc1cnc(NCc2ccncc2)nc1 ZINC000095416420 384810985 /nfs/dbraw/zinc/81/09/85/384810985.db2.gz VWORLAGTCJRHDA-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN Cc1nc(CNc2ccc(F)cc2C)no1 ZINC000084501495 384876468 /nfs/dbraw/zinc/87/64/68/384876468.db2.gz BEQHQHCAWNRAJH-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Nc1cccc(F)c1I ZINC000026892772 384884600 /nfs/dbraw/zinc/88/46/00/384884600.db2.gz WFIMPUNNSNCOAZ-UHFFFAOYSA-N 0 0 237.015 2.013 50 0 BEAARN COc1ncccc1C(=O)N(C)CC1CCCC1 ZINC000060211808 384841094 /nfs/dbraw/zinc/84/10/94/384841094.db2.gz DBJKJSKMWFVZSQ-UHFFFAOYSA-N 0 0 248.326 2.352 50 0 BEAARN COC(=O)C(C)(C)C(=O)c1ccccc1 ZINC000038251966 384853939 /nfs/dbraw/zinc/85/39/39/384853939.db2.gz HBTCIXRKQDJBMS-UHFFFAOYSA-N 0 0 206.241 2.069 50 0 BEAARN O=C(c1ccc(-c2ccco2)o1)N1CCOCC1 ZINC000072243275 384855197 /nfs/dbraw/zinc/85/51/97/384855197.db2.gz QSMRUKCIURUYFN-UHFFFAOYSA-N 0 0 247.250 2.012 50 0 BEAARN CC(C)CC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000072243853 384855975 /nfs/dbraw/zinc/85/59/75/384855975.db2.gz WGMAWYLTEPRPSQ-UHFFFAOYSA-N 0 0 249.236 2.430 50 0 BEAARN C/C(Cl)=C/CN1C(=O)C(=O)c2ccccc21 ZINC000012342743 384890269 /nfs/dbraw/zinc/89/02/69/384890269.db2.gz VBKYEDRQRNFCRC-VURMDHGXSA-N 0 0 235.670 2.359 50 0 BEAARN Nc1snnc1-c1cccc(Cl)c1 ZINC000084392679 384863254 /nfs/dbraw/zinc/86/32/54/384863254.db2.gz HBQVATDPFJLGFU-UHFFFAOYSA-N 0 0 211.677 2.441 50 0 BEAARN Nc1cc(Br)cc(F)c1F ZINC000085477199 384949284 /nfs/dbraw/zinc/94/92/84/384949284.db2.gz FYSZXOVPCQXNQQ-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN Cc1cc(C(=O)Nc2ccc3c(c2)CCO3)no1 ZINC000027128340 384890808 /nfs/dbraw/zinc/89/08/08/384890808.db2.gz GRGXINHGZLRKPN-UHFFFAOYSA-N 0 0 244.250 2.170 50 0 BEAARN CC(C)CCNc1c2c(nc3nncn31)CCC2 ZINC000033316544 384893234 /nfs/dbraw/zinc/89/32/34/384893234.db2.gz HBJVKDJBPHDPFX-UHFFFAOYSA-N 0 0 245.330 2.071 50 0 BEAARN C[C@H](NC(=O)c1ccsc1)[C@@H]1CCCO1 ZINC000027867611 384913712 /nfs/dbraw/zinc/91/37/12/384913712.db2.gz SFJKNDIVYVURHW-WPRPVWTQSA-N 0 0 225.313 2.045 50 0 BEAARN C[C@H](NC(=O)c1ccsc1)[C@H]1CCCO1 ZINC000027867626 384915555 /nfs/dbraw/zinc/91/55/55/384915555.db2.gz SFJKNDIVYVURHW-WCBMZHEXSA-N 0 0 225.313 2.045 50 0 BEAARN Nc1ccc(-c2nc3n(n2)CCCCC3)cc1 ZINC000028047690 384927186 /nfs/dbraw/zinc/92/71/86/384927186.db2.gz MJWDPGZSIHQYRR-UHFFFAOYSA-N 0 0 228.299 2.254 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@H](CO)CC1 ZINC000057354222 384943585 /nfs/dbraw/zinc/94/35/85/384943585.db2.gz CMUYBJHYEACLSY-JTQLQIEISA-N 0 0 229.320 2.016 50 0 BEAARN O=C(CC1OCCO1)c1ccccc1Cl ZINC000085652187 384960400 /nfs/dbraw/zinc/96/04/00/384960400.db2.gz GWPWKJXTAOZBGV-UHFFFAOYSA-N 0 0 226.659 2.286 50 0 BEAARN O=C([O-])c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000057837395 384968328 /nfs/dbraw/zinc/96/83/28/384968328.db2.gz OVESMCXUNWFSGO-LBPRGKRZSA-N 0 0 249.310 2.296 50 0 BEAARN COC(=O)c1ccc(Cn2c(C)ccc2C=O)o1 ZINC000085863810 384971857 /nfs/dbraw/zinc/97/18/57/384971857.db2.gz CCOWEJKGZGBGID-UHFFFAOYSA-N 0 0 247.250 2.037 50 0 BEAARN CN(C)c1cccc(C(=O)OC[C@H]2CCCO2)c1 ZINC000057974114 384975611 /nfs/dbraw/zinc/97/56/11/384975611.db2.gz JUDPIDNMNLDQSC-CYBMUJFWSA-N 0 0 249.310 2.088 50 0 BEAARN Clc1ccc2n[nH]c(Br)c2n1 ZINC000085999805 384976279 /nfs/dbraw/zinc/97/62/79/384976279.db2.gz RBKKRSSXOLSAOP-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN CC(C)COC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000057971217 384976427 /nfs/dbraw/zinc/97/64/27/384976427.db2.gz TUZNQHDOUFSITG-LLVKDONJSA-N 0 0 249.310 2.004 50 0 BEAARN c1ccc(N2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000328588465 384979464 /nfs/dbraw/zinc/97/94/64/384979464.db2.gz PVHVENBMIQMEMH-CYBMUJFWSA-N 0 0 232.327 2.477 50 0 BEAARN O=C(C[C@H]1OC(=O)c2ccccc21)C1CC1 ZINC000005685447 384979890 /nfs/dbraw/zinc/97/98/90/384979890.db2.gz XJUVIDFXJHCFCG-GFCCVEGCSA-N 0 0 216.236 2.267 50 0 BEAARN O=C(/C=C\c1ccco1)NCc1ccco1 ZINC000033324257 384980569 /nfs/dbraw/zinc/98/05/69/384980569.db2.gz ZTAOSUGWSJDISW-WAYWQWQTSA-N 0 0 217.224 2.202 50 0 BEAARN O=C1CCCc2nc3cc4c(cc3cc21)OCO4 ZINC000018196395 384985863 /nfs/dbraw/zinc/98/58/63/384985863.db2.gz NVFXQNBJJWRVEH-UHFFFAOYSA-N 0 0 241.246 2.483 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000058264748 384992996 /nfs/dbraw/zinc/99/29/96/384992996.db2.gz KMEOZQHYWHCJLU-JQWIXIFHSA-N 0 0 245.326 2.276 50 0 BEAARN COC[C@H](C)NC(=O)Nc1ccc(C)c(F)c1 ZINC000058280036 384993445 /nfs/dbraw/zinc/99/34/45/384993445.db2.gz VUWPFYZSSCOZDN-VIFPVBQESA-N 0 0 240.278 2.291 50 0 BEAARN CC[C@@H](C)C(=O)NCCn1cnc2ccccc21 ZINC000058268283 384993508 /nfs/dbraw/zinc/99/35/08/384993508.db2.gz MHTDSPSTGFESKO-LLVKDONJSA-N 0 0 245.326 2.199 50 0 BEAARN Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)no1 ZINC000058307063 384994914 /nfs/dbraw/zinc/99/49/14/384994914.db2.gz YPOSZVKSJYSVFG-VIFPVBQESA-N 0 0 224.304 2.490 50 0 BEAARN CSc1nncn1-c1ccccc1C ZINC000058325723 384996157 /nfs/dbraw/zinc/99/61/57/384996157.db2.gz KTXUVWYWDIMJTQ-UHFFFAOYSA-N 0 0 205.286 2.298 50 0 BEAARN CC[C@H]1CCCCN1C(=O)/C=C/c1cnn(C)c1 ZINC000058355252 384998625 /nfs/dbraw/zinc/99/86/25/384998625.db2.gz UEBGSNFRRBULCL-GWJCSSMESA-N 0 0 247.342 2.224 50 0 BEAARN O=Cc1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000029753700 385005085 /nfs/dbraw/zinc/00/50/85/385005085.db2.gz HQWQYLKUXAWNRR-UHFFFAOYSA-N 0 0 247.681 2.363 50 0 BEAARN CCOc1ccc(-c2ccc(C)c(N)c2)nn1 ZINC000061966070 385008879 /nfs/dbraw/zinc/00/88/79/385008879.db2.gz LZTXFCRXHUEKHQ-UHFFFAOYSA-N 0 0 229.283 2.433 50 0 BEAARN O=C([O-])[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000226446291 385016264 /nfs/dbraw/zinc/01/62/64/385016264.db2.gz DFBZUMNXYJBKHC-TZMCWYRMSA-N 0 0 245.322 2.471 50 0 BEAARN FC1(F)CCC[C@H]1CNc1ncccn1 ZINC000336232663 385054862 /nfs/dbraw/zinc/05/48/62/385054862.db2.gz DUDQVVSXVJJJNM-QMMMGPOBSA-N 0 0 213.231 2.324 50 0 BEAARN CCc1cccc(Cn2nc(C)ccc2=O)c1 ZINC000189015588 385066251 /nfs/dbraw/zinc/06/62/51/385066251.db2.gz ZSEIFFFXRXHCEQ-UHFFFAOYSA-N 0 0 228.295 2.162 50 0 BEAARN O=C([O-])[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000062133732 385066572 /nfs/dbraw/zinc/06/65/72/385066572.db2.gz GLNYANBVNHNEMU-ZDUSSCGKSA-N 0 0 233.311 2.026 50 0 BEAARN COC(=O)c1nnc2ccccc2c1Cl ZINC000059299347 385042635 /nfs/dbraw/zinc/04/26/35/385042635.db2.gz PMXSNEURQGNVGW-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN CSCC[C@H](C)NC(=O)c1ccccc1O ZINC000096412312 385123091 /nfs/dbraw/zinc/12/30/91/385123091.db2.gz TYSUDDXKPJVCRB-VIFPVBQESA-N 0 0 239.340 2.264 50 0 BEAARN CC(=O)c1c(F)cccc1NC[C@H](O)C1CC1 ZINC000080678120 385142193 /nfs/dbraw/zinc/14/21/93/385142193.db2.gz LVKCHJMXYBOARY-LBPRGKRZSA-N 0 0 237.274 2.211 50 0 BEAARN CC(=O)Oc1cccc2c1OC(C)(C)C2 ZINC000005504950 385137054 /nfs/dbraw/zinc/13/70/54/385137054.db2.gz LKMZGTIBHBYUOW-UHFFFAOYSA-N 0 0 206.241 2.325 50 0 BEAARN CC(=O)c1ccc([O-])c(Br)c1 ZINC000032234552 385137371 /nfs/dbraw/zinc/13/73/71/385137371.db2.gz LEXAYGVHWYOOAB-UHFFFAOYSA-N 0 0 215.046 2.357 50 0 BEAARN CC(C)COc1ccccc1Cn1cncn1 ZINC000096417372 385140772 /nfs/dbraw/zinc/14/07/72/385140772.db2.gz CJGQYEGCUHJMFU-UHFFFAOYSA-N 0 0 231.299 2.361 50 0 BEAARN O=C(CCc1ccncc1)N1CCCCC1 ZINC000060792711 385098480 /nfs/dbraw/zinc/09/84/80/385098480.db2.gz QOQHPIABDGEGLF-UHFFFAOYSA-N 0 0 218.300 2.027 50 0 BEAARN CNc1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000062667557 385181866 /nfs/dbraw/zinc/18/18/66/385181866.db2.gz DOTSDWRKOSVFKY-UHFFFAOYSA-N 0 0 203.245 2.127 50 0 BEAARN Cc1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000005588439 385201508 /nfs/dbraw/zinc/20/15/08/385201508.db2.gz UZMLPMPDXJAKOJ-UHFFFAOYSA-N 0 0 243.310 2.012 50 0 BEAARN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccoc1 ZINC000096469153 385184982 /nfs/dbraw/zinc/18/49/82/385184982.db2.gz NQJWKPJZFOIUEU-SECBINFHSA-N 0 0 247.250 2.264 50 0 BEAARN Cc1[nH]nc2ncc(Br)cc12 ZINC000032914806 385189621 /nfs/dbraw/zinc/18/96/21/385189621.db2.gz NHGRQAMIQCHTFI-UHFFFAOYSA-N 0 0 212.050 2.029 50 0 BEAARN O=C(C1CC1)N1CCC[C@H]1c1ccncc1 ZINC000032902255 385189923 /nfs/dbraw/zinc/18/99/23/385189923.db2.gz ROHNVXNOPNKUBA-LBPRGKRZSA-N 0 0 216.284 2.155 50 0 BEAARN O=C([O-])c1cccc2[nH]cc(C[NH+]3CCCC3)c21 ZINC000032919068 385191906 /nfs/dbraw/zinc/19/19/06/385191906.db2.gz WHPBPRRMDLERRT-UHFFFAOYSA-N 0 0 244.294 2.462 50 0 biogenic BEAARN C[C@@H](CCO)Nc1cccc(C(F)(F)F)n1 ZINC000096419437 385145955 /nfs/dbraw/zinc/14/59/55/385145955.db2.gz JQSOKKHRWVUJDT-ZETCQYMHSA-N 0 0 234.221 2.283 50 0 BEAARN Cc1ccc(C(=O)NCC2(O)CCCC2)c(C)c1 ZINC000044158333 385155992 /nfs/dbraw/zinc/15/59/92/385155992.db2.gz ILCSMEXBLFSJKH-UHFFFAOYSA-N 0 0 247.338 2.338 50 0 BEAARN CCc1cc(NC(=O)c2ccco2)nc(C)n1 ZINC000096425637 385164768 /nfs/dbraw/zinc/16/47/68/385164768.db2.gz IGCRPANCFSEZNI-UHFFFAOYSA-N 0 0 231.255 2.193 50 0 BEAARN Cc1ccn(CCOc2cccc(F)c2)c(=O)c1 ZINC000096428901 385164956 /nfs/dbraw/zinc/16/49/56/385164956.db2.gz HJEPPGAOELUIRP-UHFFFAOYSA-N 0 0 247.269 2.375 50 0 BEAARN CCCn1cc(NC(=O)[C@@H](C)CSC)cn1 ZINC000096431434 385168795 /nfs/dbraw/zinc/16/87/95/385168795.db2.gz YSNLSBHMAFUIRX-VIFPVBQESA-N 0 0 241.360 2.231 50 0 BEAARN O=C1CCc2cccc(Br)c2N1 ZINC000062323004 385170268 /nfs/dbraw/zinc/17/02/68/385170268.db2.gz FRVJKZDEBVYRGZ-UHFFFAOYSA-N 0 0 226.073 2.334 50 0 BEAARN COC(=O)Cc1ccc(F)c(Br)c1 ZINC000062471442 385172336 /nfs/dbraw/zinc/17/23/36/385172336.db2.gz OZMVMMGUHPFAND-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN CCCCNc1ccc(C(N)=O)c(F)c1 ZINC000096461163 385181105 /nfs/dbraw/zinc/18/11/05/385181105.db2.gz ZYHRTWHKQWBVNY-UHFFFAOYSA-N 0 0 210.252 2.137 50 0 BEAARN Cn1cc(OCc2ccc(F)cc2)cn1 ZINC000089756574 385208652 /nfs/dbraw/zinc/20/86/52/385208652.db2.gz LDXUGPUXUKEFGL-UHFFFAOYSA-N 0 0 206.220 2.138 50 0 BEAARN O=C(Nc1ccccc1-c1ncc[nH]1)C1CC1 ZINC000072306642 385217500 /nfs/dbraw/zinc/21/75/00/385217500.db2.gz DIFIAVIVVDERSN-UHFFFAOYSA-N 0 0 227.267 2.425 50 0 BEAARN CN(C[C@H]1CCOC1)OCc1ccccc1 ZINC000096485593 385224384 /nfs/dbraw/zinc/22/43/84/385224384.db2.gz LCGWSPCTHIRVJD-CYBMUJFWSA-N 0 0 221.300 2.087 50 0 BEAARN O=Cc1ccc(I)s1 ZINC000033505826 385239935 /nfs/dbraw/zinc/23/99/35/385239935.db2.gz YMOXKONMCDJXOD-UHFFFAOYSA-N 0 0 238.049 2.165 50 0 BEAARN O=c1[nH]cc(Br)c2ccsc21 ZINC000165887999 385203284 /nfs/dbraw/zinc/20/32/84/385203284.db2.gz GGXJDYICDSPHOC-UHFFFAOYSA-N 0 0 230.086 2.352 50 0 BEAARN Cc1cnn(-c2cc(O)c(F)c(F)c2)c1 ZINC000065395302 385303300 /nfs/dbraw/zinc/30/33/00/385303300.db2.gz BBRFSWONBZLTDE-UHFFFAOYSA-N 0 0 210.183 2.165 50 0 BEAARN O=S1(=O)CCC=C1c1cnc2ccccc2c1 ZINC000065384542 385303731 /nfs/dbraw/zinc/30/37/31/385303731.db2.gz PEEUKIQLCCVXLM-UHFFFAOYSA-N 0 0 245.303 2.394 50 0 BEAARN CC(=O)Nc1cccc(-c2ccc(N)nc2)c1 ZINC000065380603 385304122 /nfs/dbraw/zinc/30/41/22/385304122.db2.gz YFTPCVCKVVDELU-UHFFFAOYSA-N 0 0 227.267 2.289 50 0 BEAARN C[N@H+](CCCn1cccn1)Cc1ccsc1 ZINC000065410193 385305988 /nfs/dbraw/zinc/30/59/88/385305988.db2.gz VEPCIZXJKRAPEB-UHFFFAOYSA-N 0 0 235.356 2.467 50 0 BEAARN Cc1c(CN(C)Cc2ccsc2)cnn1C ZINC000065405229 385306213 /nfs/dbraw/zinc/30/62/13/385306213.db2.gz PNTYNMYLARVGNG-UHFFFAOYSA-N 0 0 235.356 2.422 50 0 BEAARN CCOC[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC000408519563 385314241 /nfs/dbraw/zinc/31/42/41/385314241.db2.gz NTBXWXGDLPOCDH-LBPRGKRZSA-N 0 0 237.343 2.372 50 0 BEAARN NC(=O)c1ccccc1-c1ccc2c(c1)OCO2 ZINC000065461578 385315046 /nfs/dbraw/zinc/31/50/46/385315046.db2.gz MADZDOGVMLRPBU-UHFFFAOYSA-N 0 0 241.246 2.181 50 0 BEAARN CCCc1nccn1-c1ccc(OCCO)cc1 ZINC000065468766 385315852 /nfs/dbraw/zinc/31/58/52/385315852.db2.gz SCGUSOZDHKLJRT-UHFFFAOYSA-N 0 0 246.310 2.196 50 0 BEAARN CC[C@@H](C)n1c(=O)[nH]nc1-c1cccc(OC)c1 ZINC000065490069 385316631 /nfs/dbraw/zinc/31/66/31/385316631.db2.gz JWFSVNSGBPEZSQ-SECBINFHSA-N 0 0 247.298 2.218 50 0 BEAARN CC[C@H](c1cccnc1)N(C)Cc1ncc[nH]1 ZINC000065500110 385317023 /nfs/dbraw/zinc/31/70/23/385317023.db2.gz SXTQDVMFFUYTRC-GFCCVEGCSA-N 0 0 230.315 2.388 50 0 BEAARN COC(=O)c1ccc2ccc(O)cc2c1 ZINC000034180539 385273883 /nfs/dbraw/zinc/27/38/83/385273883.db2.gz NRAOMQRRELNKIQ-UHFFFAOYSA-N 0 0 202.209 2.332 50 0 BEAARN CC(=O)NC1(CC(=O)C(C)(C)C)CCC1 ZINC000000187006 385279498 /nfs/dbraw/zinc/27/94/98/385279498.db2.gz QNYTUZKDJFYRQK-UHFFFAOYSA-N 0 0 211.305 2.051 50 0 BEAARN COC[C@@H](C)Oc1ccc(-c2nnco2)cc1 ZINC000072311192 385281193 /nfs/dbraw/zinc/28/11/93/385281193.db2.gz ILWOHNPMXYAJIO-SECBINFHSA-N 0 0 234.255 2.150 50 0 BEAARN CCCCOC(=O)CC[C@@H]1CCCC1=O ZINC000002280342 385281668 /nfs/dbraw/zinc/28/16/68/385281668.db2.gz GDZZOGLFHYDUOV-JTQLQIEISA-N 0 0 212.289 2.479 50 0 BEAARN CNc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000004011528 385285736 /nfs/dbraw/zinc/28/57/36/385285736.db2.gz QOYIARSUHINXSM-UHFFFAOYSA-N 0 0 210.302 2.340 50 0 BEAARN CCC[C@H](O)CNC(=O)C1(CC)CCCC1 ZINC000131490575 385338217 /nfs/dbraw/zinc/33/82/17/385338217.db2.gz LCVZBJJXQHJWLF-NSHDSACASA-N 0 0 227.348 2.234 50 0 BEAARN Cn1ccc(NC(=O)/C=C\c2ccccc2)n1 ZINC000098031418 385374036 /nfs/dbraw/zinc/37/40/36/385374036.db2.gz MESRYKIZIAUYFE-FPLPWBNLSA-N 0 0 227.267 2.072 50 0 BEAARN FC1(F)CN(c2cc(Br)ccn2)C1 ZINC000169725472 385418150 /nfs/dbraw/zinc/41/81/50/385418150.db2.gz JLLUTQBVMSVWPE-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN O=Cc1c(F)cccc1N1CCSC1 ZINC000169725274 385418330 /nfs/dbraw/zinc/41/83/30/385418330.db2.gz ZUFVTIKVHPMPJL-UHFFFAOYSA-N 0 0 211.261 2.149 50 0 BEAARN FC1(F)CN(c2ccc(Br)cn2)C1 ZINC000169725480 385419140 /nfs/dbraw/zinc/41/91/40/385419140.db2.gz BXHRGYCRWFICOJ-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN CC[C@H](O)COc1ccc(OC)c(C(C)=O)c1 ZINC000157055523 385483497 /nfs/dbraw/zinc/48/34/97/385483497.db2.gz ZUOMVWYXBMUSNY-JTQLQIEISA-N 0 0 238.283 2.048 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2cnn(C)c2)cc1 ZINC000002767851 385512850 /nfs/dbraw/zinc/51/28/50/385512850.db2.gz AKHCNSVWGJKROJ-NSHDSACASA-N 0 0 243.310 2.220 50 0 BEAARN COC(=O)c1cc2c[nH]nc2c(Cl)c1 ZINC000199824937 385570584 /nfs/dbraw/zinc/57/05/84/385570584.db2.gz HIEOIACZMBJELV-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN CONC(=O)c1ccccc1Oc1cccnc1 ZINC000052027383 385614860 /nfs/dbraw/zinc/61/48/60/385614860.db2.gz GNOZBODSODBZKZ-UHFFFAOYSA-N 0 0 244.250 2.165 50 0 BEAARN C[C@]1(C(=O)Nc2nccs2)CC1(F)F ZINC000335450922 385647963 /nfs/dbraw/zinc/64/79/63/385647963.db2.gz FAMFZQQWRSQEQZ-SSDOTTSWSA-N 0 0 218.228 2.127 50 0 BEAARN O=C1CSc2ncccc2N1c1ccccn1 ZINC000252572397 385653862 /nfs/dbraw/zinc/65/38/62/385653862.db2.gz ZFNDSJQCCAMYFR-UHFFFAOYSA-N 0 0 243.291 2.247 50 0 BEAARN C[C@H](NC(=O)c1ccccc1F)[C@H]1CCCO1 ZINC000001055481 385728120 /nfs/dbraw/zinc/72/81/20/385728120.db2.gz CHRIBTPEHXVHCO-JOYOIKCWSA-N 0 0 237.274 2.123 50 0 BEAARN c1cncc(CNc2ccc3nccnc3n2)c1 ZINC000063507776 385721540 /nfs/dbraw/zinc/72/15/40/385721540.db2.gz IIAAKIZQHLZMPS-UHFFFAOYSA-N 0 0 237.266 2.032 50 0 BEAARN CC(C)CCNC(=O)Cc1cn2ccccc2n1 ZINC000041287846 385800383 /nfs/dbraw/zinc/80/03/83/385800383.db2.gz RKQPXWOEVDLPDI-UHFFFAOYSA-N 0 0 245.326 2.039 50 0 BEAARN CC(C)=CC(=O)N[C@@H](C)c1ccncc1 ZINC000041296660 385805708 /nfs/dbraw/zinc/80/57/08/385805708.db2.gz HMKZGBOINIMWGW-JTQLQIEISA-N 0 0 204.273 2.225 50 0 BEAARN Cc1nsc(N2CCS[C@H](C)[C@@H]2C)n1 ZINC000089721399 385822251 /nfs/dbraw/zinc/82/22/51/385822251.db2.gz FHJNIVHTYXBYPP-NKWVEPMBSA-N 0 0 229.374 2.177 50 0 BEAARN CCN(CC)c1ncnc2c(C)nn(CC)c21 ZINC000057280045 385848637 /nfs/dbraw/zinc/84/86/37/385848637.db2.gz NHVCZHMVPGUUKA-UHFFFAOYSA-N 0 0 233.319 2.001 50 0 BEAARN O=C1NCCn2ccc3cc(Cl)cc1c32 ZINC000071774309 385877717 /nfs/dbraw/zinc/87/77/17/385877717.db2.gz OXHNQZXQVUZUIF-UHFFFAOYSA-N 0 0 220.659 2.038 50 0 BEAARN CCCC(=O)Nc1ccc(O)c(F)c1F ZINC000335020900 385980772 /nfs/dbraw/zinc/98/07/72/385980772.db2.gz KKIVSHVZKLARSK-UHFFFAOYSA-N 0 0 215.199 2.409 50 0 BEAARN Cc1ccc(F)c(C(=O)N2CCCC2)c1 ZINC000053001612 385982285 /nfs/dbraw/zinc/98/22/85/385982285.db2.gz GIDATKWZUIHKOR-UHFFFAOYSA-N 0 0 207.248 2.370 50 0 BEAARN O=C1SCC[C@H]1NCc1ccc(Cl)cc1 ZINC000058167054 385949733 /nfs/dbraw/zinc/94/97/33/385949733.db2.gz YQFPHGZGVHNBLP-SNVBAGLBSA-N 0 0 241.743 2.462 50 0 BEAARN O=C([O-])[C@H]1[NH2+]CCC[C@H]1CCc1ccccc1 ZINC000261361135 386018299 /nfs/dbraw/zinc/01/82/99/386018299.db2.gz QOWYXXZRPIENDA-STQMWFEESA-N 0 0 233.311 2.072 50 0 BEAARN CC(=O)N(C)CCc1nc(C2CC2)cs1 ZINC000124696980 386122054 /nfs/dbraw/zinc/12/20/54/386122054.db2.gz VABJFBBRJDFVCN-UHFFFAOYSA-N 0 0 224.329 2.041 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(=O)[C@H](C2CC2)C1 ZINC000263624703 386159401 /nfs/dbraw/zinc/15/94/01/386159401.db2.gz STCMXPSRXDDPDN-JTQLQIEISA-N 0 0 239.315 2.223 50 0 BEAARN CC(C)CNC(=O)CCC(=O)c1cccs1 ZINC000003338759 386165693 /nfs/dbraw/zinc/16/56/93/386165693.db2.gz BDVGLDNCSQFQOG-UHFFFAOYSA-N 0 0 239.340 2.483 50 0 BEAARN O=C([O-])CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000130888936 386188619 /nfs/dbraw/zinc/18/86/19/386188619.db2.gz FNWNQNGROOVXSJ-AWEZNQCLSA-N 0 0 247.338 2.416 50 0 BEAARN c1ccc2c(c1)CCc1nnc(-c3cccnc3)n1-2 ZINC000001273976 386203153 /nfs/dbraw/zinc/20/31/53/386203153.db2.gz AGTMAYYRJCRYDO-UHFFFAOYSA-N 0 0 248.289 2.428 50 0 BEAARN COn1c2cccnc2nc1-c1ccccc1 ZINC000001396600 386213818 /nfs/dbraw/zinc/21/38/18/386213818.db2.gz AVZBIBUNRUCCQS-UHFFFAOYSA-N 0 0 225.251 2.157 50 0 BEAARN C[C@H](O)COC(=O)c1c(F)cccc1Cl ZINC000225842705 386223203 /nfs/dbraw/zinc/22/32/03/386223203.db2.gz JACOGKHLBNDZOI-LURJTMIESA-N 0 0 232.638 2.017 50 0 BEAARN CC(C)c1ccc(CC[NH2+]CCC(=O)[O-])cc1 ZINC000003375324 386242270 /nfs/dbraw/zinc/24/22/70/386242270.db2.gz PRMSMRZQCJKZBU-UHFFFAOYSA-N 0 0 235.327 2.417 50 0 BEAARN Cc1c[nH]nc1CN1CCOc2ccccc21 ZINC000225422828 386193264 /nfs/dbraw/zinc/19/32/64/386193264.db2.gz ZGZKJKOUVCBIFL-UHFFFAOYSA-N 0 0 229.283 2.117 50 0 BEAARN NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000335264478 386297783 /nfs/dbraw/zinc/29/77/83/386297783.db2.gz KBQBIRSRKLBCFV-BQBZGAKWSA-N 0 0 224.226 2.166 50 0 BEAARN C[C@]12CCN(Cc3ccon3)C[C@H]1C2(F)F ZINC000298403993 386337563 /nfs/dbraw/zinc/33/75/63/386337563.db2.gz WTFIFEYYAKSEEF-ZJUUUORDSA-N 0 0 228.242 2.152 50 0 BEAARN c1ccc(Cc2noc(CN3CCCC3)n2)cc1 ZINC000044974208 386437019 /nfs/dbraw/zinc/43/70/19/386437019.db2.gz GPUPTAUUBURUSS-UHFFFAOYSA-N 0 0 243.310 2.256 50 0 BEAARN COC(=O)c1cccc(NC(=O)N2CCCC2)c1 ZINC000032500451 386432999 /nfs/dbraw/zinc/43/29/99/386432999.db2.gz YQCLAMCQFGASND-UHFFFAOYSA-N 0 0 248.282 2.101 50 0 BEAARN COC(=O)c1ccc(Br)c(C=O)c1 ZINC000059754749 386486466 /nfs/dbraw/zinc/48/64/66/386486466.db2.gz ZXGBVIJNXQHZNP-UHFFFAOYSA-N 0 0 243.056 2.048 50 0 BEAARN Cc1cc(CN(C)c2ncc(Cl)cn2)no1 ZINC000267055108 386489277 /nfs/dbraw/zinc/48/92/77/386489277.db2.gz FXNLIRVOTNCYLG-UHFFFAOYSA-N 0 0 238.678 2.063 50 0 BEAARN Cc1ccc2c(c1)C[N@@H+](CCC(=O)[O-])C[C@H](C)O2 ZINC000299776972 386489602 /nfs/dbraw/zinc/48/96/02/386489602.db2.gz MUCIHCPGYCPOHV-NSHDSACASA-N 0 0 249.310 2.053 50 0 BEAARN c1sc(-c2cnccn2)nc1C1CC1 ZINC000068945757 386496930 /nfs/dbraw/zinc/49/69/30/386496930.db2.gz WECUIDRFUKSZII-UHFFFAOYSA-N 0 0 203.270 2.478 50 0 BEAARN Cc1ccnc(N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000095403293 386520279 /nfs/dbraw/zinc/52/02/79/386520279.db2.gz LUDGTJPRFHDHSF-RYUDHWBXSA-N 0 0 215.300 2.187 50 0 BEAARN Cc1ccnc(N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000095408710 386520744 /nfs/dbraw/zinc/52/07/44/386520744.db2.gz AEYJDYWKNNZNCR-RYUDHWBXSA-N 0 0 217.316 2.411 50 0 BEAARN COC(=O)c1cnc2cc(C(C)=O)ccc2c1 ZINC000328577993 386526435 /nfs/dbraw/zinc/52/64/35/386526435.db2.gz CKJMWEQQIFRHFG-UHFFFAOYSA-N 0 0 229.235 2.224 50 0 BEAARN Nc1nc2c(s1)CC1(CCOCC1)CC2 ZINC000239352678 386541055 /nfs/dbraw/zinc/54/10/55/386541055.db2.gz ADATTZDBUVZKOF-UHFFFAOYSA-N 0 0 224.329 2.011 50 0 BEAARN Cn1ncnc1CN1c2ccccc2CC1(C)C ZINC000585123535 386679632 /nfs/dbraw/zinc/67/96/32/386679632.db2.gz JHBKFNSIYUVDQN-UHFFFAOYSA-N 0 0 242.326 2.156 50 0 BEAARN C[C@@H](Nc1ccc2[nH]nnc2c1)C1CCOCC1 ZINC000329487251 386686176 /nfs/dbraw/zinc/68/61/76/386686176.db2.gz RJFHINYQNSIBNS-SECBINFHSA-N 0 0 246.314 2.185 50 0 BEAARN O=C(Cc1ccoc1)N[C@@H]1CCCC[C@H]1F ZINC000335481392 386707628 /nfs/dbraw/zinc/70/76/28/386707628.db2.gz RFFOOCPZEDJWPA-GHMZBOCLSA-N 0 0 225.263 2.219 50 0 BEAARN Cc1nc(N(C)C)ccc1Br ZINC000087493323 386754804 /nfs/dbraw/zinc/75/48/04/386754804.db2.gz MAMDEZVDBHDFOR-UHFFFAOYSA-N 0 0 215.094 2.219 50 0 BEAARN Cn1ncc2c1NC(=O)C[C@H]2c1cccc(O)c1 ZINC000049545428 386768180 /nfs/dbraw/zinc/76/81/80/386768180.db2.gz QPAMSFAGDIGEJV-JTQLQIEISA-N 0 0 243.266 2.249 50 0 BEAARN F[C@H]1CCCN(c2ncc(Cl)cn2)C1 ZINC000334469470 386773107 /nfs/dbraw/zinc/77/31/07/386773107.db2.gz HHEHLOCWRUDEMJ-QMMMGPOBSA-N 0 0 215.659 2.068 50 0 BEAARN Cc1noc(CN(C)CCc2ccccc2)n1 ZINC000051999923 386819999 /nfs/dbraw/zinc/81/99/99/386819999.db2.gz XPEDXCSGRRXJJN-UHFFFAOYSA-N 0 0 231.299 2.053 50 0 BEAARN Cc1cc(C(=O)Nc2sc(C)nc2C)n[nH]1 ZINC000075107492 386797121 /nfs/dbraw/zinc/79/71/21/386797121.db2.gz RJZDVZCSZHIZGZ-UHFFFAOYSA-N 0 0 236.300 2.044 50 0 BEAARN O=C(NC1CC1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000334560449 386804499 /nfs/dbraw/zinc/80/44/99/386804499.db2.gz OCRKYZKNOTXOHN-AAEUAGOBSA-N 0 0 219.259 2.150 50 0 BEAARN CO[C@@H]1CCC[C@@H]1CNc1nc(C)cnc1C ZINC000358329437 386933204 /nfs/dbraw/zinc/93/32/04/386933204.db2.gz MGQOKSURFDELSW-VXGBXAGGSA-N 0 0 235.331 2.320 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2ccn[nH]2)cc1F ZINC000088235035 386933674 /nfs/dbraw/zinc/93/36/74/386933674.db2.gz SYOPHKSLRHRPMB-VIFPVBQESA-N 0 0 247.273 2.348 50 0 BEAARN CC[C@H](CO)Nc1nc2ccccc2s1 ZINC000035111880 387046538 /nfs/dbraw/zinc/04/65/38/387046538.db2.gz BGWKSVRBXJMGOF-MRVPVSSYSA-N 0 0 222.313 2.479 50 0 BEAARN Cc1cccc(-c2nc(C(C)C)no2)c1N ZINC000102540835 387048301 /nfs/dbraw/zinc/04/83/01/387048301.db2.gz TYQPVYPJSANJKS-QPJMWLODSA-N 0 0 217.272 2.323 50 0 BEAARN O=C1c2c(O)cccc2Cc2cccc(O)c21 ZINC000000001322 387056684 /nfs/dbraw/zinc/05/66/84/387056684.db2.gz NUZWLKWWNNJHPT-UHFFFAOYSA-N 0 0 226.231 2.233 50 0 aggregator,world BEAARN CC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1 ZINC000012984703 387019568 /nfs/dbraw/zinc/01/95/68/387019568.db2.gz DAIXOBOLJXQGAI-UHFFFAOYSA-N 0 0 238.262 2.379 50 0 BEAARN O=C(c1coc(Br)c1)N1CCCC1 ZINC000012985052 387019823 /nfs/dbraw/zinc/01/98/23/387019823.db2.gz PLZMEBSTEBVYQL-UHFFFAOYSA-N 0 0 244.088 2.278 50 0 BEAARN FC(F)c1ccc(Cn2cncn2)cc1 ZINC000334982204 387069816 /nfs/dbraw/zinc/06/98/16/387069816.db2.gz BKZMJBVEBYEEAE-UHFFFAOYSA-N 0 0 209.199 2.264 50 0 BEAARN C[C@]1(C(=O)N[C@@H]2CC=CCC2)CC1(F)F ZINC000334985477 387073949 /nfs/dbraw/zinc/07/39/49/387073949.db2.gz DGLDDBFTSZXVHF-PSASIEDQSA-N 0 0 215.243 2.257 50 0 BEAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)C)o1 ZINC000053366161 387112799 /nfs/dbraw/zinc/11/27/99/387112799.db2.gz FVJKGWIZPAXWOU-MWLCHTKSSA-N 0 0 221.300 2.424 50 0 BEAARN Cc1ccc(OCC2CCOCC2)nc1 ZINC000336320882 387150148 /nfs/dbraw/zinc/15/01/48/387150148.db2.gz YBCSURNRDRCWKN-UHFFFAOYSA-N 0 0 207.273 2.195 50 0 BEAARN CC(=O)Nc1cnc(Oc2ccccc2F)nc1 ZINC000075172122 387155632 /nfs/dbraw/zinc/15/56/32/387155632.db2.gz XKDWWAIIIIRCMU-UHFFFAOYSA-N 0 0 247.229 2.366 50 0 BEAARN O=C(CCc1ccc2[nH]ccc2c1)NC1CC1 ZINC000075550713 387155588 /nfs/dbraw/zinc/15/55/88/387155588.db2.gz XDVRFMZXXXTOGC-UHFFFAOYSA-N 0 0 228.295 2.379 50 0 BEAARN O=c1[nH]ccc2c(Br)csc21 ZINC000237973946 387157904 /nfs/dbraw/zinc/15/79/04/387157904.db2.gz XRZOFZIENHDDDH-UHFFFAOYSA-N 0 0 230.086 2.352 50 0 BEAARN C[C@H]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000062923938 387183622 /nfs/dbraw/zinc/18/36/22/387183622.db2.gz LNDXKIGYNMGVHH-NSHDSACASA-N 0 0 225.332 2.062 50 0 BEAARN C[C@@H](F)CCn1cnc2ccsc2c1=O ZINC000336358152 387186968 /nfs/dbraw/zinc/18/69/68/387186968.db2.gz YRNJIAGLHYSMOA-SSDOTTSWSA-N 0 0 226.276 2.206 50 0 BEAARN CC(C)Cc1cc(NC(=O)c2ccc[nH]2)n(C)n1 ZINC000064524702 387203441 /nfs/dbraw/zinc/20/34/41/387203441.db2.gz LDGUCEIETHARHS-UHFFFAOYSA-N 0 0 246.314 2.199 50 0 BEAARN Cc1nscc1C(=O)NCCc1ccccc1 ZINC000040757134 387217131 /nfs/dbraw/zinc/21/71/31/387217131.db2.gz GLOSYFCLRVMKRV-UHFFFAOYSA-N 0 0 246.335 2.424 50 0 BEAARN c1cnc(-c2nnc(C3CCCC3)o2)cn1 ZINC000064556865 387221319 /nfs/dbraw/zinc/22/13/19/387221319.db2.gz PSCWBQXDQZOPLQ-UHFFFAOYSA-N 0 0 216.244 2.184 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c(O)c1 ZINC000033028967 387196495 /nfs/dbraw/zinc/19/64/95/387196495.db2.gz ROFVSPPLKSBBHZ-BDAKNGLRSA-N 0 0 205.257 2.295 50 0 BEAARN CCOC(=O)C1=C(O)[C@@H](CC(C)C)CC1 ZINC000043199012 387273489 /nfs/dbraw/zinc/27/34/89/387273489.db2.gz JPMSKNVEMSYIPT-NXEZZACHSA-N 0 0 212.289 2.191 50 0 BEAARN COC(=O)[C@H]1CC23CC=CCC2(CC=CC3)C1=O ZINC000045028071 387274304 /nfs/dbraw/zinc/27/43/04/387274304.db2.gz YYEFIZPRSWGLAO-QGLTVNCISA-N 0 0 246.306 2.421 50 0 BEAARN CC(=O)O[C@H]1CCCC/C=C\CCC1=O ZINC000043199122 387274423 /nfs/dbraw/zinc/27/44/23/387274423.db2.gz BITJVXHQZHBJHB-QQHVMHFCSA-N 0 0 210.273 2.398 50 0 BEAARN CC1(C)C[C@]2(CO)CC=CC[C@]2(CO)C1 ZINC000043762049 387274469 /nfs/dbraw/zinc/27/44/69/387274469.db2.gz HDMFUAQZZJKQSV-BETUJISGSA-N 0 0 210.317 2.114 50 0 BEAARN CSCC[C@@H](C(=O)NC1CC1)n1cccc1 ZINC000575443164 387288319 /nfs/dbraw/zinc/28/83/19/387288319.db2.gz MXFJHNMRGKCOJY-NSHDSACASA-N 0 0 238.356 2.061 50 0 BEAARN O=C(C1CCCCC1)N1CCSCC1 ZINC000049209025 387290182 /nfs/dbraw/zinc/29/01/82/387290182.db2.gz HJNKHVNRTNHTOD-UHFFFAOYSA-N 0 0 213.346 2.142 50 0 BEAARN C[C@]1(F)CCCN(C(=O)c2cccnc2)C1 ZINC000295558837 387296190 /nfs/dbraw/zinc/29/61/90/387296190.db2.gz LCSLQGLDFZYAMM-LBPRGKRZSA-N 0 0 222.263 2.046 50 0 BEAARN C[C@@H]1Nc2ncccc2N[C@H]2CCCC(=O)[C@@H]21 ZINC000101035847 387298356 /nfs/dbraw/zinc/29/83/56/387298356.db2.gz YTKGZSXXSXNMIT-HOTUBEGUSA-N 0 0 231.299 2.045 50 0 BEAARN O=[S@@](Cc1ccccn1)c1cccc(O)c1 ZINC000191200603 387352757 /nfs/dbraw/zinc/35/27/57/387352757.db2.gz KRTRKFHYHDRZCL-INIZCTEOSA-N 0 0 233.292 2.095 50 0 BEAARN CN(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000004808494 387461559 /nfs/dbraw/zinc/46/15/59/387461559.db2.gz JJMZRHCHYSWXQR-UHFFFAOYSA-N 0 0 247.125 2.494 50 0 BEAARN CONC(=O)CCSc1ccc(Cl)cc1 ZINC000053720309 387436094 /nfs/dbraw/zinc/43/60/94/387436094.db2.gz YPPBRRNOPVUNTE-UHFFFAOYSA-N 0 0 245.731 2.500 50 0 BEAARN O=C(O[C@H]1CCOC1)c1coc2ccccc12 ZINC000073532519 387439509 /nfs/dbraw/zinc/43/95/09/387439509.db2.gz SGWDWNLEQWBNCE-VIFPVBQESA-N 0 0 232.235 2.379 50 0 BEAARN CCN(CCC(F)(F)F)C(=O)N[C@@H]1C[C@@H]1C ZINC000078441173 387451057 /nfs/dbraw/zinc/45/10/57/387451057.db2.gz DHDRLWQEOCDJCH-JGVFFNPUSA-N 0 0 238.253 2.379 50 0 BEAARN Fc1cnc(N2CCOc3ccccc3C2)nc1 ZINC000575607971 387396244 /nfs/dbraw/zinc/39/62/44/387396244.db2.gz VJZICVWEMFMFIW-UHFFFAOYSA-N 0 0 245.257 2.015 50 0 BEAARN Cc1nc(C(=O)Nc2ccccc2)co1 ZINC000022606319 387521619 /nfs/dbraw/zinc/52/16/19/387521619.db2.gz ASMAHDNXTTZAAN-UHFFFAOYSA-N 0 0 202.213 2.235 50 0 BEAARN C[C@]12C[C@@H]3C[C@](NC=O)(C1)C[C@@](C)(C3)C2 ZINC000103564603 387524254 /nfs/dbraw/zinc/52/42/54/387524254.db2.gz NYQWYYMEIBHRSB-WNGYAQOMSA-N 0 0 207.317 2.481 50 0 in-vitro BEAARN Cc1cnccc1C[N@@H+]1CCC[C@@H]1CF ZINC000295993890 387538820 /nfs/dbraw/zinc/53/88/20/387538820.db2.gz KMASQVVGXIOAJV-GFCCVEGCSA-N 0 0 208.280 2.324 50 0 BEAARN CC[C@H]1CN(C(=O)Nc2ccccc2)CCO1 ZINC000032779458 387473517 /nfs/dbraw/zinc/47/35/17/387473517.db2.gz KPOZWHAIJAZNPA-LBPRGKRZSA-N 0 0 234.299 2.329 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2ccnn2C)cc1 ZINC000002761316 387474273 /nfs/dbraw/zinc/47/42/73/387474273.db2.gz DJWCNJFRYYCWOI-LLVKDONJSA-N 0 0 243.310 2.220 50 0 BEAARN Cc1cc(C)n(C[C@@H](O)CCc2ccccc2)n1 ZINC000146643058 387479768 /nfs/dbraw/zinc/47/97/68/387479768.db2.gz XLKXBZWJWXDQNP-HNNXBMFYSA-N 0 0 244.338 2.494 50 0 BEAARN Fc1ccc(CN2CCC=C(F)C2)nc1 ZINC000276281185 387491310 /nfs/dbraw/zinc/49/13/10/387491310.db2.gz UIPDSUVEDXGYOJ-UHFFFAOYSA-N 0 0 210.227 2.280 50 0 BEAARN CC1(C)C[C@H]1C(=O)NCc1cnc2c(c1)CCC2 ZINC000426544302 387580745 /nfs/dbraw/zinc/58/07/45/387580745.db2.gz DSOVBSRWHMJOKD-LBPRGKRZSA-N 0 0 244.338 2.233 50 0 BEAARN CCc1nc(C)cc(-c2ccc(C(N)=O)cc2)n1 ZINC000426594858 387581309 /nfs/dbraw/zinc/58/13/09/387581309.db2.gz MLJUXPQLQLYEBV-UHFFFAOYSA-N 0 0 241.294 2.113 50 0 BEAARN Cc1c(N)ncnc1-c1cnn(CCC(C)C)c1 ZINC000426693853 387586162 /nfs/dbraw/zinc/58/61/62/387586162.db2.gz UDIGGCAAVRCGLT-UHFFFAOYSA-N 0 0 245.330 2.107 50 0 BEAARN COc1nc(-c2ccc([C@H](C)OC)cc2)nn1C ZINC000426690566 387586377 /nfs/dbraw/zinc/58/63/77/387586377.db2.gz JNQAAWZAPQSEHG-VIFPVBQESA-N 0 0 247.298 2.198 50 0 BEAARN CSCC(=O)NCCCc1ccccc1 ZINC000049909645 387594780 /nfs/dbraw/zinc/59/47/80/387594780.db2.gz FAYYVHQLURSAEY-UHFFFAOYSA-N 0 0 223.341 2.098 50 0 BEAARN CC(=O)c1ncc(C(=O)OC(C)(C)C)s1 ZINC000319822813 387548609 /nfs/dbraw/zinc/54/86/09/387548609.db2.gz KEJKVDLWCLNDKB-UHFFFAOYSA-N 0 0 227.285 2.301 50 0 BEAARN CCSc1n[nH]c(-c2ccc(N(C)C)nc2)n1 ZINC000426386999 387562279 /nfs/dbraw/zinc/56/22/79/387562279.db2.gz YEHOPZRTKIEPLG-UHFFFAOYSA-N 0 0 249.343 2.045 50 0 BEAARN COc1cc(C)cc(OC)c1-c1cnc(N)cn1 ZINC000426478138 387574480 /nfs/dbraw/zinc/57/44/80/387574480.db2.gz ZCJAOXCETCJMTF-UHFFFAOYSA-N 0 0 245.282 2.051 50 0 BEAARN CCc1nc(-c2ccc(OC)cc2C)nn1C ZINC000426478212 387574912 /nfs/dbraw/zinc/57/49/12/387574912.db2.gz YFLBBZRUAVGNAX-UHFFFAOYSA-N 0 0 231.299 2.362 50 0 BEAARN CCc1nc(-c2cnn(CCC(C)C)c2)nn1C ZINC000426501761 387577529 /nfs/dbraw/zinc/57/75/29/387577529.db2.gz MFJTVTHHTNGFFC-UHFFFAOYSA-N 0 0 247.346 2.287 50 0 BEAARN Nc1nc(C=CC2CCCCC2)cc2nncn21 ZINC000426514928 387579346 /nfs/dbraw/zinc/57/93/46/387579346.db2.gz XKYFDBAHBXJDQZ-VOTSOKGWSA-N 0 0 243.314 2.130 50 0 BEAARN Cc1cc(C(=O)Nc2ccc(Cl)cn2)on1 ZINC000036394496 387791615 /nfs/dbraw/zinc/79/16/15/387791615.db2.gz JAZASPYJWKHGFM-UHFFFAOYSA-N 0 0 237.646 2.284 50 0 BEAARN CCc1nc(CN2CCC[C@H]2C(F)(F)F)no1 ZINC000527629576 387809527 /nfs/dbraw/zinc/80/95/27/387809527.db2.gz KOSAAIJQZGVWLK-ZETCQYMHSA-N 0 0 249.236 2.159 50 0 BEAARN Cc1cc2c3nnc(=S)[nH]c3n(C)c2c(C)c1 ZINC000005926012 177883831 /nfs/dbraw/zinc/88/38/31/177883831.db2.gz ILORCSHSPMKKGR-UHFFFAOYSA-N 0 0 244.323 2.422 50 0 BEAARN Cc1ccnc(-c2cc(CCCO)ccn2)c1 ZINC000015442473 387849401 /nfs/dbraw/zinc/84/94/01/387849401.db2.gz GNHXIBAUFKPDNB-UHFFFAOYSA-N 0 0 228.295 2.377 50 0 BEAARN C[C@@H](NC(=O)Nc1cnns1)c1ccccc1 ZINC000190778993 387872644 /nfs/dbraw/zinc/87/26/44/387872644.db2.gz SEBVPTYOWBWERX-MRVPVSSYSA-N 0 0 248.311 2.421 50 0 BEAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N ZINC000000069901 177884835 /nfs/dbraw/zinc/88/48/35/177884835.db2.gz JZSWBZHJDCDLHK-UHFFFAOYSA-N 0 0 230.296 2.439 50 0 BEAARN CC(C)(C)n1nnc(-c2ccccc2)n1 ZINC000006781475 387894242 /nfs/dbraw/zinc/89/42/42/387894242.db2.gz BSZQFTLIMOHPIL-UHFFFAOYSA-N 0 0 202.261 2.095 50 0 BEAARN CC(C)[C@H](C)Nc1cncc(-n2cccn2)n1 ZINC000068622617 387881807 /nfs/dbraw/zinc/88/18/07/387881807.db2.gz ZVJDWXLILIWNOY-JTQLQIEISA-N 0 0 231.303 2.119 50 0 BEAARN C[C@@H](C(=O)N(C)C(C1CC1)C1CC1)n1cccn1 ZINC000064974824 387914699 /nfs/dbraw/zinc/91/46/99/387914699.db2.gz TZIMGHADRAVDRH-JTQLQIEISA-N 0 0 247.342 2.091 50 0 BEAARN CC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1C ZINC000019505545 387917377 /nfs/dbraw/zinc/91/73/77/387917377.db2.gz BMSVXURYDSJPDJ-KCJUWKMLSA-N 0 0 217.268 2.484 50 0 BEAARN COc1ncccc1NC(=O)c1ccc(F)cc1 ZINC000037991329 387950461 /nfs/dbraw/zinc/95/04/61/387950461.db2.gz JXTRKAZDYRXEKM-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN Cc1cc(C(=O)Nc2cnccn2)c(F)cc1F ZINC000125791887 177819912 /nfs/dbraw/zinc/81/99/12/177819912.db2.gz SNJGBOCVXLSECZ-UHFFFAOYSA-N 0 0 249.220 2.316 50 0 BEAARN Cc1cc(C(=O)Nc2ccccc2F)on1 ZINC000008941418 177818966 /nfs/dbraw/zinc/81/89/66/177818966.db2.gz MWCFTYXDDDFALV-UHFFFAOYSA-N 0 0 220.203 2.374 50 0 BEAARN Cc1cc(C(=O)Nc2nncs2)sc1C ZINC000012740743 177821172 /nfs/dbraw/zinc/82/11/72/177821172.db2.gz BPCPXQZEWXDUAD-UHFFFAOYSA-N 0 0 239.325 2.469 50 0 BEAARN Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c(C)o1 ZINC000006726418 177810792 /nfs/dbraw/zinc/81/07/92/177810792.db2.gz AHMXBVWBAAPFBY-BXKDBHETSA-N 0 0 237.299 2.194 50 0 BEAARN Cc1cc(C(=O)NCc2ccccn2)cs1 ZINC000004749575 177795164 /nfs/dbraw/zinc/79/51/64/177795164.db2.gz BUNMDLLRHOZWEV-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN Cc1cc(C(=O)NCc2ccccc2F)no1 ZINC000001052149 177794090 /nfs/dbraw/zinc/79/40/90/177794090.db2.gz AHPSMFRQCDJVNU-UHFFFAOYSA-N 0 0 234.230 2.052 50 0 BEAARN Cc1cc(C(=O)NC[C@H]2CCCO2)sc1C ZINC000002731324 177791763 /nfs/dbraw/zinc/79/17/63/177791763.db2.gz DUTXUNRWJZUIDB-SNVBAGLBSA-N 0 0 239.340 2.274 50 0 BEAARN CCCC(C)(C)NC(=O)/C=C/c1cnccn1 ZINC000065041229 388063544 /nfs/dbraw/zinc/06/35/44/388063544.db2.gz OMTBEROASZTPQP-AATRIKPKSA-N 0 0 233.315 2.185 50 0 BEAARN c1ccc2c(c1)[nH]cnc2=NO[C@H]1CCCCO1 ZINC000065517371 388076159 /nfs/dbraw/zinc/07/61/59/388076159.db2.gz AWKHBBLAHKTKHZ-LBPRGKRZSA-N 0 0 245.282 2.500 50 0 BEAARN C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)[O-] ZINC000266998293 388083215 /nfs/dbraw/zinc/08/32/15/388083215.db2.gz BYGXVAMIPMPPGN-WCQYABFASA-N 0 0 233.311 2.024 50 0 BEAARN Cc1cccc(/C=C/C(=O)NC2=NCCS2)c1 ZINC000009954533 388087498 /nfs/dbraw/zinc/08/74/98/388087498.db2.gz LZWRFWCOMJSHTN-AATRIKPKSA-N 0 0 246.335 2.227 50 0 BEAARN C[C@@H](NC(=O)Nc1nccs1)c1cccnc1 ZINC000042757368 388112438 /nfs/dbraw/zinc/11/24/38/388112438.db2.gz WQOOTGBQYOQVPB-MRVPVSSYSA-N 0 0 248.311 2.421 50 0 BEAARN COC(=O)c1c[nH]c(S[C@@H]2C=CCCC2)n1 ZINC000170618014 388257913 /nfs/dbraw/zinc/25/79/13/388257913.db2.gz YNKZSSOVIGPJTR-MRVPVSSYSA-N 0 0 238.312 2.397 50 0 BEAARN COC(=O)c1c[nH]c(S[C@H]2C=CCCC2)n1 ZINC000170618013 388258021 /nfs/dbraw/zinc/25/80/21/388258021.db2.gz YNKZSSOVIGPJTR-QMMMGPOBSA-N 0 0 238.312 2.397 50 0 BEAARN Cc1cc(O)ccc1NC(=O)Nc1cccnn1 ZINC000170087870 388258188 /nfs/dbraw/zinc/25/81/88/388258188.db2.gz INZJVNGABOQPMZ-UHFFFAOYSA-N 0 0 244.254 2.135 50 0 BEAARN Cc1ccc(NC(=S)NC(C)C)nc1 ZINC000007143548 388258490 /nfs/dbraw/zinc/25/84/90/388258490.db2.gz VWZDFTXOLLVKQC-UHFFFAOYSA-N 0 0 209.318 2.085 50 0 BEAARN CO[C@H]1CCN(c2nc3ccccc3nc2C)C1 ZINC000170540828 388194587 /nfs/dbraw/zinc/19/45/87/388194587.db2.gz CINUGSCSOUWREN-NSHDSACASA-N 0 0 243.310 2.163 50 0 BEAARN CCc1ccccc1C(=O)NCC1(O)CCCC1 ZINC000162011072 388345486 /nfs/dbraw/zinc/34/54/86/388345486.db2.gz RYRJUETVZTWWEG-UHFFFAOYSA-N 0 0 247.338 2.284 50 0 BEAARN CO[C@@H](C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000056035455 388346430 /nfs/dbraw/zinc/34/64/30/388346430.db2.gz VANPDXBSBXOEAL-JQWIXIFHSA-N 0 0 225.332 2.203 50 0 BEAARN Cc1occc1SCCCN1CCOCC1 ZINC000131472198 388346482 /nfs/dbraw/zinc/34/64/82/388346482.db2.gz UIDWUDUWQORTHP-UHFFFAOYSA-N 0 0 241.356 2.402 50 0 BEAARN CCn1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000028575798 388347344 /nfs/dbraw/zinc/34/73/44/388347344.db2.gz GKPYVWKXWHEVNN-GHMZBOCLSA-N 0 0 235.331 2.021 50 0 BEAARN CCCc1nccn1CCO[C@H]1CCCCO1 ZINC000193429476 388349549 /nfs/dbraw/zinc/34/95/49/388349549.db2.gz VDIWUNRBQYMRCG-ZDUSSCGKSA-N 0 0 238.331 2.379 50 0 BEAARN CCCCN(C)C(=O)c1ccc2c(c1)OCCO2 ZINC000057026485 388355435 /nfs/dbraw/zinc/35/54/35/388355435.db2.gz SOIHDDNAFCSJRT-UHFFFAOYSA-N 0 0 249.310 2.330 50 0 BEAARN CCCCNC(=O)c1cn(-c2ccccc2)cn1 ZINC000227115914 388358540 /nfs/dbraw/zinc/35/85/40/388358540.db2.gz HCHACTLTIGUWMX-UHFFFAOYSA-N 0 0 243.310 2.402 50 0 BEAARN Cc1nsc(N[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000230100639 388361499 /nfs/dbraw/zinc/36/14/99/388361499.db2.gz SXVLHPQRXWXODY-IVZWLZJFSA-N 0 0 239.344 2.216 50 0 BEAARN C[C@@H](NC(=O)c1cnc2ccccc2n1)C1CC1 ZINC000008429782 388405207 /nfs/dbraw/zinc/40/52/07/388405207.db2.gz UNQXBDVUVWZRPV-SECBINFHSA-N 0 0 241.294 2.158 50 0 BEAARN COc1ccc(Cc2nnc(SC)o2)cc1 ZINC000057805849 388368095 /nfs/dbraw/zinc/36/80/95/388368095.db2.gz FYPKWOUKYVPOMY-UHFFFAOYSA-N 0 0 236.296 2.391 50 0 BEAARN CC(C)CC(C)(C)CNC(=O)N1CCOCC1 ZINC000089802383 388368103 /nfs/dbraw/zinc/36/81/03/388368103.db2.gz SAPPABJCEDEXCW-UHFFFAOYSA-N 0 0 242.363 2.101 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000089828088 388368182 /nfs/dbraw/zinc/36/81/82/388368182.db2.gz IGNBYRDHFRGTPA-GFCCVEGCSA-N 0 0 219.284 2.298 50 0 BEAARN Cc1ccnc(N(C)CC2(O)CCCC2)c1 ZINC000163006107 388368525 /nfs/dbraw/zinc/36/85/25/388368525.db2.gz LIRQFCLAAAVYLQ-UHFFFAOYSA-N 0 0 220.316 2.131 50 0 BEAARN O=C([O-])CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000089830318 388368974 /nfs/dbraw/zinc/36/89/74/388368974.db2.gz MUHMQISBVLNJAA-CYBMUJFWSA-N 0 0 233.311 2.168 50 0 BEAARN Cc1ccc(O[C@H](C)CNC(=O)NC2CC2)cc1 ZINC000076066434 388372271 /nfs/dbraw/zinc/37/22/71/388372271.db2.gz UTEHFWVHLMMWAD-LLVKDONJSA-N 0 0 248.326 2.224 50 0 BEAARN C[C@H](CNC(=O)NC1CC1)Cc1cccs1 ZINC000076066645 388372319 /nfs/dbraw/zinc/37/23/19/388372319.db2.gz KZEOFHBRYRVIKH-VIFPVBQESA-N 0 0 238.356 2.388 50 0 BEAARN CCCCOCCCNC(=O)c1cccnc1 ZINC000003310282 388372370 /nfs/dbraw/zinc/37/23/70/388372370.db2.gz QLEJNGIIWKKOTP-UHFFFAOYSA-N 0 0 236.315 2.018 50 0 BEAARN CCCC[C@H](C)C(=O)N1CCOCC[C@H]1C ZINC000252498974 388375862 /nfs/dbraw/zinc/37/58/62/388375862.db2.gz RRZDFCGNBDERKA-NWDGAFQWSA-N 0 0 227.348 2.450 50 0 BEAARN O=C(Nc1nnc(C2CC2)s1)C1CCC1 ZINC000003550734 388382752 /nfs/dbraw/zinc/38/27/52/388382752.db2.gz OWWGAGNWZVRJLV-UHFFFAOYSA-N 0 0 223.301 2.154 50 0 BEAARN Cc1cc(C)c(OCC(=O)N2CCC2)c(C)c1 ZINC000012904534 388401123 /nfs/dbraw/zinc/40/11/23/388401123.db2.gz VHHZIQQDCDKYET-UHFFFAOYSA-N 0 0 233.311 2.223 50 0 BEAARN Cc1noc([C@H](C)N(C)Cc2ccco2)n1 ZINC000042651853 388444159 /nfs/dbraw/zinc/44/41/59/388444159.db2.gz QZUIBYUYKSMMGO-QMMMGPOBSA-N 0 0 221.260 2.164 50 0 BEAARN CC(C)C[C@H](C)N(C)C(=O)CCn1cccn1 ZINC000042726126 388445539 /nfs/dbraw/zinc/44/55/39/388445539.db2.gz UXSKOZMTAABSPS-LBPRGKRZSA-N 0 0 237.347 2.166 50 0 BEAARN O=C(Nc1nncs1)C1(c2ccccc2)CC1 ZINC000071831335 388446651 /nfs/dbraw/zinc/44/66/51/388446651.db2.gz FWJLVSSFXLXNMN-UHFFFAOYSA-N 0 0 245.307 2.208 50 0 BEAARN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC ZINC000195531040 388476704 /nfs/dbraw/zinc/47/67/04/388476704.db2.gz JQMZCEGGYKZIQL-VWYCJHECSA-N 0 0 213.321 2.106 50 0 BEAARN Cc1nc(-c2cc3sccc3[nH]2)n[nH]1 ZINC000067713747 388407314 /nfs/dbraw/zinc/40/73/14/388407314.db2.gz CQNQNMISSNUPBE-UHFFFAOYSA-N 0 0 204.258 2.323 50 0 BEAARN FC(F)(F)c1cccnc1-c1cc[nH]n1 ZINC000067772605 388407570 /nfs/dbraw/zinc/40/75/70/388407570.db2.gz YFIPAGGIVNAYPL-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(=O)[nH]1 ZINC000008772631 388408324 /nfs/dbraw/zinc/40/83/24/388408324.db2.gz RPEPCQJHDDFTRH-UHFFFAOYSA-N 0 0 242.278 2.244 50 0 BEAARN O=C(NC(=O)c1ccccc1)NC1CCCC1 ZINC000000081853 388411852 /nfs/dbraw/zinc/41/18/52/388411852.db2.gz QQZHVOZZECTNEZ-UHFFFAOYSA-N 0 0 232.283 2.069 50 0 BEAARN c1ccc2c(c1)nc1nc3n(nc2-1)CCS3 ZINC000002873203 388481899 /nfs/dbraw/zinc/48/18/99/388481899.db2.gz YUWBYDVGOVCYMQ-UHFFFAOYSA-N 0 0 228.280 2.037 50 0 BEAARN CSCCC(=O)NCc1cccs1 ZINC000040457620 388417215 /nfs/dbraw/zinc/41/72/15/388417215.db2.gz CRGCQKQXTUUSKZ-UHFFFAOYSA-N 0 0 215.343 2.117 50 0 BEAARN O=C(CCCOc1ccccc1)NCC1CC1 ZINC000040493552 388418426 /nfs/dbraw/zinc/41/84/26/388418426.db2.gz FXBOAFXFNMTAFY-UHFFFAOYSA-N 0 0 233.311 2.372 50 0 BEAARN CCc1ccccc1NC(=O)N(CCO)C1CC1 ZINC000040526458 388420474 /nfs/dbraw/zinc/42/04/74/388420474.db2.gz CLKBEXGHYIOEMT-UHFFFAOYSA-N 0 0 248.326 2.238 50 0 BEAARN CCO[C@@H](C)C(=O)N1CCC[C@H](CC)C1 ZINC000040534006 388420797 /nfs/dbraw/zinc/42/07/97/388420797.db2.gz KQPNHULJUJXFBJ-QWRGUYRKSA-N 0 0 213.321 2.060 50 0 BEAARN CCc1[nH]nc(NC(=O)Nc2cc(C)on2)c1C ZINC000069702993 388424975 /nfs/dbraw/zinc/42/49/75/388424975.db2.gz QMFDJFJZMDHBFH-UHFFFAOYSA-N 0 0 249.274 2.221 50 0 BEAARN C[C@@H](NC(=O)NCc1ccc(F)cc1)C1CC1 ZINC000009256957 388426107 /nfs/dbraw/zinc/42/61/07/388426107.db2.gz OEPHAXLYXFYEPE-SECBINFHSA-N 0 0 236.290 2.423 50 0 BEAARN CC(=O)CSc1nnc(-c2ccoc2C)o1 ZINC000041384814 388436466 /nfs/dbraw/zinc/43/64/66/388436466.db2.gz XCDXCCCICFVLCI-UHFFFAOYSA-N 0 0 238.268 2.319 50 0 BEAARN Cc1cc(C(=O)N(C)c2ccccc2)on1 ZINC000006738078 177743472 /nfs/dbraw/zinc/74/34/72/177743472.db2.gz XYDJQJLFJLVEHJ-UHFFFAOYSA-N 0 0 216.240 2.260 50 0 BEAARN Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)o1 ZINC000195573469 388494606 /nfs/dbraw/zinc/49/46/06/388494606.db2.gz NCNYSLJOXAYNIJ-CYBMUJFWSA-N 0 0 245.326 2.449 50 0 BEAARN C[C@H](NC(=O)c1cccs1)[C@@H]1CCCO1 ZINC000006725503 388525077 /nfs/dbraw/zinc/52/50/77/388525077.db2.gz OGFXORSTWREMFF-IUCAKERBSA-N 0 0 225.313 2.045 50 0 BEAARN COC[C@@H](NCc1csnn1)c1ccccc1 ZINC000253418753 388592467 /nfs/dbraw/zinc/59/24/67/388592467.db2.gz SUTXOIASZQJVGU-GFCCVEGCSA-N 0 0 249.339 2.015 50 0 BEAARN CCCn1cc(NC[C@H]2CCSC2)cn1 ZINC000225611290 388594659 /nfs/dbraw/zinc/59/46/59/388594659.db2.gz LWZVKAJKEQJQAI-SNVBAGLBSA-N 0 0 225.361 2.458 50 0 BEAARN Cc1nsc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000301607775 388599188 /nfs/dbraw/zinc/59/91/88/388599188.db2.gz OAISSMJAJJBJPT-RKDXNWHRSA-N 0 0 209.318 2.083 50 0 BEAARN C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245469145 388582101 /nfs/dbraw/zinc/58/21/01/388582101.db2.gz UTNHAFKBJSVKNM-CXYFJQCHSA-N 0 0 237.343 2.058 50 0 BEAARN O=C1NC(=O)C(=Cc2c[nH]c3ccccc23)S1 ZINC000001476279 388585954 /nfs/dbraw/zinc/58/59/54/388585954.db2.gz YRPCEGFPKMQCHL-YHYXMXQVSA-N 0 0 244.275 2.492 50 0 BEAARN Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000000818218 388681270 /nfs/dbraw/zinc/68/12/70/388681270.db2.gz UTXWCFSTRZXNQG-UHFFFAOYSA-N 0 0 243.310 2.158 50 0 BEAARN COC(=O)[C@H](N)c1cccc(Cl)c1Cl ZINC000037459750 388683120 /nfs/dbraw/zinc/68/31/20/388683120.db2.gz RIAVGLDRZKVQHO-MRVPVSSYSA-N 0 0 234.082 2.166 50 0 biogenic BEAARN Cc1noc(C)c1CN(C)CCOCC(C)C ZINC000225427075 388686684 /nfs/dbraw/zinc/68/66/84/388686684.db2.gz YFSFUBUDQGASBM-UHFFFAOYSA-N 0 0 240.347 2.396 50 0 BEAARN COC(=O)c1cc(C2CC2)cnc1Cl ZINC000091351930 388626477 /nfs/dbraw/zinc/62/64/77/388626477.db2.gz LYQIYWXYYOFZHD-UHFFFAOYSA-N 0 0 211.648 2.399 50 0 BEAARN COC(=O)c1cc2c(cccc2O)s1 ZINC000147325563 388684853 /nfs/dbraw/zinc/68/48/53/388684853.db2.gz FXOKIHHTHSAQLP-UHFFFAOYSA-N 0 0 208.238 2.394 50 0 BEAARN CCOP(=O)(NCC(C)C)OCC ZINC000002369435 388656628 /nfs/dbraw/zinc/65/66/28/388656628.db2.gz HETNCHHTSONQSI-UHFFFAOYSA-N 0 0 209.226 2.413 50 0 BEAARN O=c1[nH]cc(Br)c2c1CCCC2 ZINC000114845718 388685607 /nfs/dbraw/zinc/68/56/07/388685607.db2.gz NPTZFIQKKHWANG-UHFFFAOYSA-N 0 0 228.089 2.016 50 0 BEAARN COCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000089420345 388737005 /nfs/dbraw/zinc/73/70/05/388737005.db2.gz VMXYLSCXWOIYOE-PHIMTYICSA-N 0 0 249.310 2.298 50 0 BEAARN O=C([C@@H]1CCOC1)N1CCC2(C1)CCCCC2 ZINC000089818550 388741475 /nfs/dbraw/zinc/74/14/75/388741475.db2.gz GQFNRLCJNSLGGU-GFCCVEGCSA-N 0 0 237.343 2.206 50 0 BEAARN O=C(C1CCOCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000089818833 388741640 /nfs/dbraw/zinc/74/16/40/388741640.db2.gz XPMUXKYNHPNVTI-CHWSQXEVSA-N 0 0 237.343 2.062 50 0 BEAARN OCc1ccccc1[C@H](O)c1ccccc1 ZINC000019865577 388749858 /nfs/dbraw/zinc/74/98/58/388749858.db2.gz DGDHXBHBKBNKJI-CQSZACIVSA-N 0 0 214.264 2.261 50 0 BEAARN CC(C)(C)c1nn(CCCCCF)c(=O)o1 ZINC000225443126 388694972 /nfs/dbraw/zinc/69/49/72/388694972.db2.gz NKXTZUMIFORIKH-UHFFFAOYSA-N 0 0 230.283 2.274 50 0 BEAARN CC[C@@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000055276405 388698814 /nfs/dbraw/zinc/69/88/14/388698814.db2.gz UESRQGCIGBGURF-MNOVXSKESA-N 0 0 238.331 2.045 50 0 BEAARN CC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000069271703 388698774 /nfs/dbraw/zinc/69/87/74/388698774.db2.gz BRZIDNQMHUVUAM-STQMWFEESA-N 0 0 233.311 2.229 50 0 BEAARN CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)[O-] ZINC000225450968 388699826 /nfs/dbraw/zinc/69/98/26/388699826.db2.gz JCHZRKRUGHMJLW-LLVKDONJSA-N 0 0 213.321 2.362 50 0 BEAARN CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000248973300 388700960 /nfs/dbraw/zinc/70/09/60/388700960.db2.gz PXRRLFUIJXACSY-QWRGUYRKSA-N 0 0 213.321 2.218 50 0 BEAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccccn1 ZINC000012911861 388726222 /nfs/dbraw/zinc/72/62/22/388726222.db2.gz PHYPLCMRSRRSSL-LLVKDONJSA-N 0 0 241.294 2.100 50 0 BEAARN CCC[C@@H]1SCCN1C(=O)c1cc(C)on1 ZINC000118649791 388731336 /nfs/dbraw/zinc/73/13/36/388731336.db2.gz FQNIZFNLAZNTBE-JTQLQIEISA-N 0 0 240.328 2.298 50 0 BEAARN Cc1ccnc(NC(=O)c2ccccc2F)n1 ZINC000000363098 388813456 /nfs/dbraw/zinc/81/34/56/388813456.db2.gz TVDDLJVGZLZCPV-UHFFFAOYSA-N 0 0 231.230 2.176 50 0 BEAARN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](C)C(C)C ZINC000095956568 388793603 /nfs/dbraw/zinc/79/36/03/388793603.db2.gz HQYRWSSQIAMWTK-DTWKUNHWSA-N 0 0 237.347 2.291 50 0 BEAARN CCO[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000095949256 388793791 /nfs/dbraw/zinc/79/37/91/388793791.db2.gz LDLJGTHFAHPHCW-JTQLQIEISA-N 0 0 235.283 2.253 50 0 BEAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)C(C)C ZINC000095956565 388794258 /nfs/dbraw/zinc/79/42/58/388794258.db2.gz HQYRWSSQIAMWTK-BDAKNGLRSA-N 0 0 237.347 2.291 50 0 BEAARN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C)C(C)C ZINC000095956566 388794574 /nfs/dbraw/zinc/79/45/74/388794574.db2.gz HQYRWSSQIAMWTK-IUCAKERBSA-N 0 0 237.347 2.291 50 0 BEAARN CCNc1ncc(C(=O)NOC(C)(C)C)s1 ZINC000095977859 388797002 /nfs/dbraw/zinc/79/70/02/388797002.db2.gz XJAPKVXZYCBSHQ-UHFFFAOYSA-N 0 0 243.332 2.035 50 0 BEAARN C[C@@H](C[C@H](O)c1cccs1)Nc1ncccn1 ZINC000095973066 388797074 /nfs/dbraw/zinc/79/70/74/388797074.db2.gz BOMTZTYGZXMGKJ-UWVGGRQHSA-N 0 0 249.339 2.462 50 0 BEAARN COC(=O)CN[C@H](C)c1cccc(C)c1C ZINC000095985238 388799127 /nfs/dbraw/zinc/79/91/27/388799127.db2.gz XHRATSQTGRLIMT-LLVKDONJSA-N 0 0 221.300 2.127 50 0 BEAARN COC[C@@H](C)SCc1nnc(C)n1C1CC1 ZINC000095983968 388800070 /nfs/dbraw/zinc/80/00/70/388800070.db2.gz GLKOUZUPQIGUQL-MRVPVSSYSA-N 0 0 241.360 2.190 50 0 BEAARN Cc1ccc(C(=O)Nc2cnccc2CO)cc1 ZINC000095992210 388801493 /nfs/dbraw/zinc/80/14/93/388801493.db2.gz STRUXUBDXQPVJR-UHFFFAOYSA-N 0 0 242.278 2.135 50 0 BEAARN CC(C)(C)OC(=O)CS[C@@H]1CCCOC1 ZINC000096001697 388802233 /nfs/dbraw/zinc/80/22/33/388802233.db2.gz PKXOCPPBJDQEIY-SECBINFHSA-N 0 0 232.345 2.240 50 0 BEAARN CO[C@@H](CNC(=O)C1CC1)c1ccccc1C ZINC000096104899 388809062 /nfs/dbraw/zinc/80/90/62/388809062.db2.gz ZEAMAQXMGFBWEM-ZDUSSCGKSA-N 0 0 233.311 2.209 50 0 BEAARN CC[C@H](SC[C@@H](O)CO)c1ccccc1 ZINC000095407549 388765483 /nfs/dbraw/zinc/76/54/83/388765483.db2.gz ORCFUUSYTLRTGF-RYUDHWBXSA-N 0 0 226.341 2.224 50 0 BEAARN COC[C@@H](CC(C)C)OC(=O)c1cscn1 ZINC000095394009 388766234 /nfs/dbraw/zinc/76/62/34/388766234.db2.gz KVRSJBZYJSIOJS-SECBINFHSA-N 0 0 243.328 2.361 50 0 BEAARN Cc1cc(C)n(C[C@@H](C)Nc2ccccn2)n1 ZINC000095403123 388766329 /nfs/dbraw/zinc/76/63/29/388766329.db2.gz JJCLMWSBXGBRNR-LLVKDONJSA-N 0 0 230.315 2.396 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)Nc2cccnn2)o1 ZINC000095411876 388767103 /nfs/dbraw/zinc/76/71/03/388767103.db2.gz LWCJCXGIAXXWTR-VIFPVBQESA-N 0 0 246.270 2.261 50 0 BEAARN Clc1cnccc1NCC1=COCCO1 ZINC000095408653 388768053 /nfs/dbraw/zinc/76/80/53/388768053.db2.gz HDYRWAJXZWMYLX-UHFFFAOYSA-N 0 0 226.663 2.035 50 0 BEAARN CC(C)N(C[C@H](C)O)C(=O)C1CCCCC1 ZINC000095432289 388770631 /nfs/dbraw/zinc/77/06/31/388770631.db2.gz ZXEHIIMRNADFIM-NSHDSACASA-N 0 0 227.348 2.185 50 0 BEAARN Cc1ccc(NC(=O)NCc2ncc[nH]2)s1 ZINC000095439438 388771339 /nfs/dbraw/zinc/77/13/39/388771339.db2.gz UBDLRJAHJYUUQA-UHFFFAOYSA-N 0 0 236.300 2.101 50 0 BEAARN CN(CC1(O)CCCC1)C(=O)OC(C)(C)C ZINC000095435807 388771642 /nfs/dbraw/zinc/77/16/42/388771642.db2.gz DZMQMSTZZKJISQ-UHFFFAOYSA-N 0 0 229.320 2.158 50 0 BEAARN COCCc1nsc(N2[C@@H](C)CC[C@@H]2C)n1 ZINC000095449437 388773115 /nfs/dbraw/zinc/77/31/15/388773115.db2.gz KVSSDKWSLXQMAG-IUCAKERBSA-N 0 0 241.360 2.104 50 0 BEAARN O=S(=O)(Cc1ccncc1)c1ccccc1 ZINC000000396954 388812671 /nfs/dbraw/zinc/81/26/71/388812671.db2.gz ICAWSHPNBFDPBV-UHFFFAOYSA-N 0 0 233.292 2.056 50 0 BEAARN Cc1ccn(CCC(=O)Nc2ccccc2F)n1 ZINC000020989420 388789732 /nfs/dbraw/zinc/78/97/32/388789732.db2.gz DBTZXTMFLNHRST-UHFFFAOYSA-N 0 0 247.273 2.359 50 0 BEAARN CCc1cc(C(C)=O)cc(C(C)=O)c1O ZINC000096345716 388815853 /nfs/dbraw/zinc/81/58/53/388815853.db2.gz VSVSDWGVINQGKX-UHFFFAOYSA-N 0 0 206.241 2.360 50 0 BEAARN C[C@H](Cn1cccn1)OC(=O)c1ccsc1 ZINC000096459857 388819696 /nfs/dbraw/zinc/81/96/96/388819696.db2.gz ZRWGRSRIOLFIAF-SECBINFHSA-N 0 0 236.296 2.190 50 0 BEAARN O=C(C1CCC(F)(F)CC1)N1CC2(CC2)C1 ZINC000334878931 388825639 /nfs/dbraw/zinc/82/56/39/388825639.db2.gz MQBUTXPIKDGVEM-UHFFFAOYSA-N 0 0 229.270 2.434 50 0 BEAARN NC(=O)Nc1ccccc1CC(F)(F)F ZINC000334912080 388826604 /nfs/dbraw/zinc/82/66/04/388826604.db2.gz UBALZLPBIDSUJD-UHFFFAOYSA-N 0 0 218.178 2.282 50 0 BEAARN c1csc(CCSc2c[nH]nn2)c1 ZINC000097014268 388829050 /nfs/dbraw/zinc/82/90/50/388829050.db2.gz YGIKUVGAFMBVOD-UHFFFAOYSA-N 0 0 211.315 2.201 50 0 BEAARN CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccco1 ZINC000097059026 388831598 /nfs/dbraw/zinc/83/15/98/388831598.db2.gz UXFNOFBORHSTAT-ZDUSSCGKSA-N 0 0 222.332 2.052 50 0 BEAARN Cc1nc(/C=C\C(=O)Nc2ccncc2)cs1 ZINC000097079627 388833036 /nfs/dbraw/zinc/83/30/36/388833036.db2.gz HAMRIMZURSJBQL-IHWYPQMZSA-N 0 0 245.307 2.498 50 0 BEAARN C[C@@H]1C[C@H](C(=O)NCc2ncc[nH]2)CC(C)(C)C1 ZINC000097235819 388835492 /nfs/dbraw/zinc/83/54/92/388835492.db2.gz RXOBDRVVAUZKKE-MNOVXSKESA-N 0 0 249.358 2.488 50 0 BEAARN Cc1ccnc(NC(=O)c2ccc(Cl)cn2)n1 ZINC000194663215 388863473 /nfs/dbraw/zinc/86/34/73/388863473.db2.gz FHVGORUSYYZIDR-UHFFFAOYSA-N 0 0 248.673 2.086 50 0 BEAARN Cc1cc(-c2nc3c[nH]n(C(C)C)c-3n2)n(C)n1 ZINC000019794630 177694156 /nfs/dbraw/zinc/69/41/56/177694156.db2.gz SDBLEWMHLKIFOP-UHFFFAOYSA-N 0 0 244.302 2.049 50 0 BEAARN C[C@@H](CNCC(F)(F)CO)c1ccccc1 ZINC000194708099 388880421 /nfs/dbraw/zinc/88/04/21/388880421.db2.gz ZOJUYRLTTQFXLT-JTQLQIEISA-N 0 0 229.270 2.007 50 0 BEAARN CC1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000087304538 322818485 /nfs/dbraw/zinc/81/84/85/322818485.db2.gz WKTUXIUAIYFCKA-UHFFFAOYSA-N 0 0 225.210 2.417 50 0 BEAARN C/C=C/C=C\C(=O)N1CC(=O)Nc2ccccc21 ZINC000095936656 533442979 /nfs/dbraw/zinc/44/29/79/533442979.db2.gz SSBKYOMVPWBUBO-OQIXSKIXSA-N 0 0 242.278 2.104 50 0 BEAARN Fc1cc(Br)cc2n[nH]cc21 ZINC000014984590 322823512 /nfs/dbraw/zinc/82/35/12/322823512.db2.gz IHCPAAHPKILIIC-UHFFFAOYSA-N 0 0 215.025 2.465 50 0 BEAARN C[C@@H]1CN(c2ccccc2O)C[C@H](C)O1 ZINC000012368593 132293061 /nfs/dbraw/zinc/29/30/61/132293061.db2.gz DYCHIQQCVMTNFP-AOOOYVTPSA-N 0 0 207.273 2.006 50 0 BEAARN CC(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000089930449 132311791 /nfs/dbraw/zinc/31/17/91/132311791.db2.gz CAXLOOYEXSXMHO-ZDUSSCGKSA-N 0 0 241.294 2.033 50 0 BEAARN CC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)c(N)c1 ZINC000000150197 132312927 /nfs/dbraw/zinc/31/29/27/132312927.db2.gz FMUUOIILUAMXTO-NXEZZACHSA-N 0 0 248.326 2.085 50 0 BEAARN CCc1cc2c(ncnc2N2CCOCC2)s1 ZINC000000198589 132313045 /nfs/dbraw/zinc/31/30/45/132313045.db2.gz XMPXSWNXIDQSPA-UHFFFAOYSA-N 0 0 249.339 2.090 50 0 BEAARN Clc1nc2ccccc2c(N2CCOCC2)n1 ZINC000003219793 132315496 /nfs/dbraw/zinc/31/54/96/132315496.db2.gz NJBDGZVAZRMIFM-UHFFFAOYSA-N 0 0 249.701 2.120 50 0 BEAARN O=C([C@@H]1CCCO1)N1CCCc2ccccc21 ZINC000006341655 132318265 /nfs/dbraw/zinc/31/82/65/132318265.db2.gz ZAEPPPXHXHKUSB-ZDUSSCGKSA-N 0 0 231.295 2.145 50 0 BEAARN CCNC(=S)N1CCCc2ccccc21 ZINC000006870001 132318384 /nfs/dbraw/zinc/31/83/84/132318384.db2.gz LLVDMYARJDGYDC-UHFFFAOYSA-N 0 0 220.341 2.334 50 0 BEAARN CCC(=O)N1CCCc2ccc(NC(C)=O)cc21 ZINC000008803550 132319115 /nfs/dbraw/zinc/31/91/15/132319115.db2.gz DPPSIUHJXAENSX-UHFFFAOYSA-N 0 0 246.310 2.334 50 0 BEAARN O=C1CSC(N2CCCc3ccccc32)=N1 ZINC000010337359 132319538 /nfs/dbraw/zinc/31/95/38/132319538.db2.gz TZZIBCKNIXXISY-UHFFFAOYSA-N 0 0 232.308 2.069 50 0 BEAARN CN1c2ccccc2C(=O)NC12CCSCC2 ZINC000012538007 132321319 /nfs/dbraw/zinc/32/13/19/132321319.db2.gz BPYMLUVAMOHOGD-UHFFFAOYSA-N 0 0 248.351 2.090 50 0 BEAARN Cc1nc2ccccc2nc1N1CCO[C@H](C)C1 ZINC000012911242 132321609 /nfs/dbraw/zinc/32/16/09/132321609.db2.gz GNCUOFOJWHWNND-SNVBAGLBSA-N 0 0 243.310 2.163 50 0 BEAARN C[C@@H]1CN(c2ccc(C=O)cc2)C[C@@H](C)O1 ZINC000020078935 132329637 /nfs/dbraw/zinc/32/96/37/132329637.db2.gz OGVXOBJOPFDWIY-GHMZBOCLSA-N 0 0 219.284 2.113 50 0 BEAARN C=C1c2ccccc2N(C)C=C1[N+](=O)[O-] ZINC000023002838 132332838 /nfs/dbraw/zinc/33/28/38/132332838.db2.gz MWNHERWQJOVGRV-UHFFFAOYSA-N 0 0 202.213 2.268 50 0 BEAARN C[C@@H]1CN(c2cnc3ccccc3n2)C[C@H](C)O1 ZINC000026134624 132333148 /nfs/dbraw/zinc/33/31/48/132333148.db2.gz PRMYCHZGLZCUMI-PHIMTYICSA-N 0 0 243.310 2.243 50 0 BEAARN O=C(C1CCCC1)N1CC(=O)Nc2ccccc21 ZINC000033028758 132335862 /nfs/dbraw/zinc/33/58/62/132335862.db2.gz UXNFIPIPUOZDOL-UHFFFAOYSA-N 0 0 244.294 2.162 50 0 BEAARN CN1c2cc(Br)ccc2CCC1=O ZINC000036294386 132341939 /nfs/dbraw/zinc/34/19/39/132341939.db2.gz XVBPEXCFWANWIM-UHFFFAOYSA-N 0 0 240.100 2.358 50 0 BEAARN C[C@@H]1CCC[C@H](C)N1c1ncnc2n[nH]cc21 ZINC000041120977 132349608 /nfs/dbraw/zinc/34/96/08/132349608.db2.gz OAYJNOHVKAHTJM-DTORHVGOSA-N 0 0 231.303 2.120 50 0 BEAARN C[C@@H]1CN(C(=O)C2CC2)c2ccccc2O1 ZINC000041306523 132349924 /nfs/dbraw/zinc/34/99/24/132349924.db2.gz QNDPQZZPIJMITM-SECBINFHSA-N 0 0 217.268 2.211 50 0 BEAARN Cc1cc(C)nc(N2C[C@@H](C)OC(C)(C)C2)n1 ZINC000049177163 132355892 /nfs/dbraw/zinc/35/58/92/132355892.db2.gz AEGJGYAQPZFQSB-LLVKDONJSA-N 0 0 235.331 2.097 50 0 BEAARN COc1ccc2c(c1)CN(c1ncccn1)CC2 ZINC000065434297 132389262 /nfs/dbraw/zinc/38/92/62/132389262.db2.gz GAJKDTFRKPUPJM-UHFFFAOYSA-N 0 0 241.294 2.048 50 0 BEAARN CCNC(=O)N1CCOc2ccc(Cl)cc21 ZINC000064554754 132389683 /nfs/dbraw/zinc/38/96/83/132389683.db2.gz LHPDBKAMPNUROS-UHFFFAOYSA-N 0 0 240.690 2.268 50 0 BEAARN CNC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000064554750 132389826 /nfs/dbraw/zinc/38/98/26/132389826.db2.gz HIRZBNGTXWDHRB-SSDOTTSWSA-N 0 0 240.690 2.267 50 0 BEAARN O=Cc1ccc(N2CCC(F)(F)CC2)cn1 ZINC000169725615 132445404 /nfs/dbraw/zinc/44/54/04/132445404.db2.gz PRYZSBRMPLQRDL-UHFFFAOYSA-N 0 0 226.226 2.130 50 0 BEAARN CC(C)CCN1NC2(CCCCC2)NC1=S ZINC000001242488 166842517 /nfs/dbraw/zinc/84/25/17/166842517.db2.gz UORKGFMFMPCDOC-UHFFFAOYSA-N 0 0 241.404 2.388 50 0 BEAARN Cc1cc(CNC(=O)NCC2CC2)ccc1F ZINC000012894392 133449973 /nfs/dbraw/zinc/44/99/73/133449973.db2.gz QBFBWRAWVMQMSW-UHFFFAOYSA-N 0 0 236.290 2.343 50 0 BEAARN O=C(c1n[nH]c2ccccc21)N1CCCCCO1 ZINC000329921185 133991302 /nfs/dbraw/zinc/99/13/02/133991302.db2.gz HLYITTUEQBTMMV-UHFFFAOYSA-N 0 0 245.282 2.121 50 0 BEAARN O=C(NCc1cccs1)c1cc(F)c[nH]1 ZINC000335927206 134009535 /nfs/dbraw/zinc/00/95/35/134009535.db2.gz BFIIWOYEQBKZOK-UHFFFAOYSA-N 0 0 224.260 2.145 50 0 BEAARN CC(C)=C(F)c1nc(-c2ncc[nH]2)no1 ZINC000335942435 134018145 /nfs/dbraw/zinc/01/81/45/134018145.db2.gz PSFFBXZKQWWKEY-UHFFFAOYSA-N 0 0 208.196 2.180 50 0 BEAARN C[C@@H]1CCN(C(=O)c2ccc[nH]2)CC1(F)F ZINC000336100987 134083349 /nfs/dbraw/zinc/08/33/49/134083349.db2.gz VSZVFOWHZPNJQM-MRVPVSSYSA-N 0 0 228.242 2.132 50 0 BEAARN CC(C)[C@@]1(C)NC(=O)N(c2ccc(F)cc2)N1 ZINC000334160419 134159946 /nfs/dbraw/zinc/15/99/46/134159946.db2.gz DKNVQTSWDWQUIG-LBPRGKRZSA-N 0 0 237.278 2.232 50 0 BEAARN CCC1(CC)NC(=O)N(c2ccc(F)cc2)N1 ZINC000334160823 134159994 /nfs/dbraw/zinc/15/99/94/134159994.db2.gz MZFPPZBLPIZNCO-UHFFFAOYSA-N 0 0 237.278 2.376 50 0 BEAARN O=C(c1ccoc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170672122 134252860 /nfs/dbraw/zinc/25/28/60/134252860.db2.gz OCNBEQYLFNZQGZ-JTQLQIEISA-N 0 0 245.282 2.023 50 0 BEAARN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)[O-])cc1F ZINC000087284275 135116503 /nfs/dbraw/zinc/11/65/03/135116503.db2.gz YDUXSXUDMODAOB-IUCAKERBSA-N 0 0 225.263 2.258 50 0 BEAARN Cc1cnc(C)c(NC[C@]2(C)CCCO2)n1 ZINC000087256087 135117125 /nfs/dbraw/zinc/11/71/25/135117125.db2.gz DXZWNNKQVDNQFW-LBPRGKRZSA-N 0 0 221.304 2.074 50 0 BEAARN O=C(NCc1cc(F)cc(F)c1)C1=CCC1 ZINC000334167103 135324420 /nfs/dbraw/zinc/32/44/20/135324420.db2.gz AMWAIERJTHXPQO-UHFFFAOYSA-N 0 0 223.222 2.301 50 0 BEAARN Cc1cc(Cl)cc(C[N@H+](C)CC(=O)[O-])c1 ZINC000263314219 135345822 /nfs/dbraw/zinc/34/58/22/135345822.db2.gz HFXNWIHPRARGJV-UHFFFAOYSA-N 0 0 227.691 2.165 50 0 BEAARN Cc1cc(CNc2ccccc2F)n(C)n1 ZINC000084243698 135469269 /nfs/dbraw/zinc/46/92/69/135469269.db2.gz NTSQFBRVHOHKHX-UHFFFAOYSA-N 0 0 219.263 2.480 50 0 BEAARN CN(Cc1cccs1)C(=O)[C@]1(C)C[C@@H]1F ZINC000335070645 135885186 /nfs/dbraw/zinc/88/51/86/135885186.db2.gz SEYZUBFZFBEDFP-GXSJLCMTSA-N 0 0 227.304 2.455 50 0 BEAARN O=C(N[C@H]1CC[C@H](F)C1)c1cccs1 ZINC000335316405 136025143 /nfs/dbraw/zinc/02/51/43/136025143.db2.gz NNCGANMDTDTWMC-YUMQZZPRSA-N 0 0 213.277 2.369 50 0 BEAARN O=C(NCc1ccoc1)[C@H]1CCC[C@@H](F)C1 ZINC000335548032 136097159 /nfs/dbraw/zinc/09/71/59/136097159.db2.gz BHCCENAVACKGNF-WDEREUQCSA-N 0 0 225.263 2.424 50 0 BEAARN O=C(NCc1ccco1)[C@H]1CCC[C@H](F)C1 ZINC000335562662 136106767 /nfs/dbraw/zinc/10/67/67/136106767.db2.gz JZBUGJKQHGRHPJ-UWVGGRQHSA-N 0 0 225.263 2.424 50 0 BEAARN C[NH+](C)C[P@](=O)([O-])CCc1ccccc1 ZINC000019730711 397890081 /nfs/dbraw/zinc/89/00/81/397890081.db2.gz MRZTVECVLHOXPH-UHFFFAOYSA-N 0 0 227.244 2.019 50 0 BEAARN CC(C)[C@H]1C[C@]([NH3+])(C(=O)[O-])c2ccccc21 ZINC000170091523 397822302 /nfs/dbraw/zinc/82/23/02/397822302.db2.gz GKXUZTINRJOQLC-ZWNOBZJWSA-N 0 0 219.284 2.069 50 0 BEAARN CCCCOC(=O)c1c(O)cccc1F ZINC000170598757 397824180 /nfs/dbraw/zinc/82/41/80/397824180.db2.gz KNOCDDFZXSUPCH-UHFFFAOYSA-N 0 0 212.220 2.488 50 0 BEAARN O=C(Nc1nccs1)c1cccc(O)c1 ZINC000008910753 397939968 /nfs/dbraw/zinc/93/99/68/397939968.db2.gz IVEOOMIIFUVPLA-UHFFFAOYSA-N 0 0 220.253 2.101 50 0 BEAARN COc1ccc(CNC(=O)c2cccnc2)cc1 ZINC000000029325 397914092 /nfs/dbraw/zinc/91/40/92/397914092.db2.gz BOVLTZKDXYNXHY-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN CC[C@@H](C(C)=O)C(=O)Nc1ccccc1OC ZINC000000432811 397914678 /nfs/dbraw/zinc/91/46/78/397914678.db2.gz DMERTHSGUIITCG-JTQLQIEISA-N 0 0 235.283 2.249 50 0 BEAARN [NH3+][C@H](CC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000004728747 397926014 /nfs/dbraw/zinc/92/60/14/397926014.db2.gz ZAQXSMCYFQJRCQ-VBRVDACPSA-N 0 0 223.316 2.005 50 0 BEAARN C[C@@H](Nc1nccn2cnnc12)c1ccccc1 ZINC000072287225 397994801 /nfs/dbraw/zinc/99/48/01/397994801.db2.gz MUTJYYGZJYOBJW-SNVBAGLBSA-N 0 0 239.282 2.297 50 0 BEAARN CC[C@@H](Oc1ccccc1Cl)C(=O)NC ZINC000033359561 398010664 /nfs/dbraw/zinc/01/06/64/398010664.db2.gz RYYBBQYQOCVIAB-SECBINFHSA-N 0 0 227.691 2.243 50 0 BEAARN C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)[O-])C1 ZINC000237533358 398024649 /nfs/dbraw/zinc/02/46/49/398024649.db2.gz QEQYVPNVQCQDOD-CQSZACIVSA-N 0 0 233.311 2.125 50 0 BEAARN O=c1ccc(-c2noc(C3CCCC3)n2)c[nH]1 ZINC000075505217 398084109 /nfs/dbraw/zinc/08/41/09/398084109.db2.gz PTGUVJSHKUALLD-UHFFFAOYSA-N 0 0 231.255 2.083 50 0 BEAARN Cc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000007763288 398131813 /nfs/dbraw/zinc/13/18/13/398131813.db2.gz RGDGOZNXSNPUIN-UHFFFAOYSA-N 0 0 246.291 2.449 50 0 BEAARN CC(C)C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000010474887 167007871 /nfs/dbraw/zinc/00/78/71/167007871.db2.gz UHUHLFVTIXJYPG-UHFFFAOYSA-N 0 0 207.273 2.130 50 0 in-vitro BEAARN CC(C)COCCC(=O)N1CCC(C)CC1 ZINC000042882875 167023238 /nfs/dbraw/zinc/02/32/38/167023238.db2.gz KMLUNLUETXNMDG-UHFFFAOYSA-N 0 0 227.348 2.308 50 0 BEAARN CCc1cc(Br)cc(N)c1N ZINC000026438421 322868520 /nfs/dbraw/zinc/86/85/20/322868520.db2.gz PRASRYMRRGNOOX-UHFFFAOYSA-N 0 0 215.094 2.176 50 0 BEAARN COC(=O)CC[P@](C)(=O)OCC(C)C ZINC000001777445 173567083 /nfs/dbraw/zinc/56/70/83/173567083.db2.gz WZOWPKOCIQZEGD-CQSZACIVSA-N 0 0 222.221 2.130 50 0 BEAARN CC(C)NC(=O)N(Cc1cccnc1)C(C)C ZINC000048302399 167066877 /nfs/dbraw/zinc/06/68/77/167066877.db2.gz WCTPAHKANQUAFZ-UHFFFAOYSA-N 0 0 235.331 2.410 50 0 BEAARN CC(C)NC(=S)Nc1ccc2c[nH]nc2c1 ZINC000008686145 167093278 /nfs/dbraw/zinc/09/32/78/167093278.db2.gz WCRYOLALTLEQSJ-UHFFFAOYSA-N 0 0 234.328 2.258 50 0 BEAARN CC(C)Nc1c(N)c(=O)oc2ccccc21 ZINC000017780957 167141834 /nfs/dbraw/zinc/14/18/34/167141834.db2.gz YFPGSQGDUNVBMD-UHFFFAOYSA-N 0 0 218.256 2.196 50 0 BEAARN CSc1nc2sc(C)cc2c(=O)n1C ZINC000004488384 175589791 /nfs/dbraw/zinc/58/97/91/175589791.db2.gz NJDFLUCGHYTVJT-UHFFFAOYSA-N 0 0 226.326 2.025 50 0 BEAARN C[C@H](COC(F)(F)F)NC(=O)OC(C)(C)C ZINC000096308353 176713452 /nfs/dbraw/zinc/71/34/52/176713452.db2.gz DEPPUDRHUVAZQW-ZCFIWIBFSA-N 0 0 243.225 2.436 50 0 BEAARN CC(C)=CCN(CCO)C(=O)OC(C)(C)C ZINC000238151258 487566619 /nfs/dbraw/zinc/56/66/19/487566619.db2.gz YDHRVQOOFFRWDN-UHFFFAOYSA-N 0 0 229.320 2.182 50 0 BEAARN c1ccc(SCN2CCOCC2)cc1 ZINC000032599296 322899102 /nfs/dbraw/zinc/89/91/02/322899102.db2.gz POIFALRUWQDRJC-UHFFFAOYSA-N 0 0 209.314 2.068 50 0 BEAARN COC1(C)CN(c2nc(C)c3ccccc3n2)C1 ZINC000585092927 487578342 /nfs/dbraw/zinc/57/83/42/487578342.db2.gz UPQIADBFVXCLHF-UHFFFAOYSA-N 0 0 243.310 2.163 50 0 BEAARN CC(C)OCCCNC(=S)NC1CCCC1 ZINC000004472790 167220598 /nfs/dbraw/zinc/22/05/98/167220598.db2.gz MCNVNTGJXVLRGH-UHFFFAOYSA-N 0 0 244.404 2.208 50 0 BEAARN CC[C@@H](Cc1ccc(C)cc1)NC(C)=O ZINC000081070084 487584017 /nfs/dbraw/zinc/58/40/17/487584017.db2.gz NLNZMPIIYDRIBS-ZDUSSCGKSA-N 0 0 205.301 2.452 50 0 BEAARN CC(C)SCC(=O)NC(C1CC1)C1CC1 ZINC000032796910 167320355 /nfs/dbraw/zinc/32/03/55/167320355.db2.gz YIKVRADIJMCHRH-UHFFFAOYSA-N 0 0 227.373 2.433 50 0 BEAARN Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C ZINC000048324621 409767905 /nfs/dbraw/zinc/76/79/05/409767905.db2.gz KCBYBDWNXOHIML-UHFFFAOYSA-N 0 0 233.271 2.191 50 0 BEAARN CCc1cc(N[C@@H]2CCSC2)n2nccc2n1 ZINC000072408537 410027938 /nfs/dbraw/zinc/02/79/38/410027938.db2.gz LFJUOADTONAHJA-SNVBAGLBSA-N 0 0 248.355 2.209 50 0 BEAARN Brc1cc(N2CCCC2)ccn1 ZINC000021995909 166095597 /nfs/dbraw/zinc/09/55/97/166095597.db2.gz RFJRXIJRIORJQX-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Brc1cc(N2CCSC2)ccn1 ZINC000169725569 166095926 /nfs/dbraw/zinc/09/59/26/166095926.db2.gz SEAXDUPEIGSIJD-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN Brc1cc2cncnc2s1 ZINC000082370631 166096131 /nfs/dbraw/zinc/09/61/31/166096131.db2.gz CCQQNRDRMMVUQI-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Brc1cc(NC2CC2)ccn1 ZINC000095704969 166096414 /nfs/dbraw/zinc/09/64/14/166096414.db2.gz APOMRNXLDZFNLJ-UHFFFAOYSA-N 0 0 213.078 2.418 50 0 BEAARN Brc1ccc(N2CCC2)nc1 ZINC000095218308 166098098 /nfs/dbraw/zinc/09/80/98/166098098.db2.gz LBSNUAQAYRFPQA-UHFFFAOYSA-N 0 0 213.078 2.054 50 0 BEAARN Brc1ccc(OC2CC2)cn1 ZINC000091692825 166098580 /nfs/dbraw/zinc/09/85/80/166098580.db2.gz NKSZSMNCNRIAMP-UHFFFAOYSA-N 0 0 214.062 2.385 50 0 BEAARN Brc1ccc2c(c1)N[C@H]1CCN2C1 ZINC000261507043 166099459 /nfs/dbraw/zinc/09/94/59/166099459.db2.gz DRPHHOQYXBGIFB-QMMMGPOBSA-N 0 0 239.116 2.453 50 0 BEAARN Brc1ccc2cccnc2n1 ZINC000008435710 166099678 /nfs/dbraw/zinc/09/96/78/166099678.db2.gz BCMGOTDNNMLUBS-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccc2c(c1)OCO2 ZINC000000158545 166099769 /nfs/dbraw/zinc/09/97/69/166099769.db2.gz FBOYMIDCHINJKC-UHFFFAOYSA-N 0 0 201.019 2.178 50 0 BEAARN Brc1ccc2nnccc2c1 ZINC000040434032 166100094 /nfs/dbraw/zinc/10/00/94/166100094.db2.gz NUILLMMTUCMJNA-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1cncc(N2CCCC2)c1 ZINC000038537654 166104843 /nfs/dbraw/zinc/10/48/43/166104843.db2.gz VENROJLIHOQUPZ-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN Brc1ccccc1CC1OCCO1 ZINC000002529046 166103540 /nfs/dbraw/zinc/10/35/40/166103540.db2.gz YWFSTIQYCXISNY-UHFFFAOYSA-N 0 0 243.100 2.365 50 0 BEAARN Brc1cncc(CN2CCCC2)c1 ZINC000078644610 166104555 /nfs/dbraw/zinc/10/45/55/166104555.db2.gz UAZLPRVDXABSND-UHFFFAOYSA-N 0 0 241.132 2.440 50 0 BEAARN Brc1cnc2c(c1)CCCO2 ZINC000095762074 166103995 /nfs/dbraw/zinc/10/39/95/166103995.db2.gz BVWBZYWPHNVCED-UHFFFAOYSA-N 0 0 214.062 2.169 50 0 BEAARN Brc1cnn([C@@H]2CCCCO2)c1 ZINC000038537559 166106652 /nfs/dbraw/zinc/10/66/52/166106652.db2.gz HDNCEUNJWJHWMO-QMMMGPOBSA-N 0 0 231.093 2.345 50 0 BEAARN CCN(CC)C(=O)c1ccc(OC)c(OC)c1 ZINC000000282874 169761156 /nfs/dbraw/zinc/76/11/56/169761156.db2.gz ZQTJMIZZICSOBJ-UHFFFAOYSA-N 0 0 237.299 2.186 50 0 BEAARN CC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000004207443 166461639 /nfs/dbraw/zinc/46/16/39/166461639.db2.gz PKUMIGIYINMLHJ-UHFFFAOYSA-N 0 0 203.241 2.016 50 0 BEAARN CC(C)(C)C(=O)CSc1nncs1 ZINC000035184814 166522742 /nfs/dbraw/zinc/52/27/42/166522742.db2.gz PZBOTZGZOGFWPB-UHFFFAOYSA-N 0 0 216.331 2.245 50 0 BEAARN CC(C)(C)C(=O)N1CCc2ccc(N)cc21 ZINC000019874670 166526705 /nfs/dbraw/zinc/52/67/05/166526705.db2.gz JNEVETWNWHUFDQ-UHFFFAOYSA-N 0 0 218.300 2.204 50 0 BEAARN CC(C)(C)C(=O)NC[C@](C)(O)c1cccs1 ZINC000075155801 166530514 /nfs/dbraw/zinc/53/05/14/166530514.db2.gz RUUAKJAZMWDFOH-LBPRGKRZSA-N 0 0 241.356 2.118 50 0 BEAARN CC(C)(C)CC(=O)NC[C@](C)(O)c1ccccc1 ZINC000070639503 166550202 /nfs/dbraw/zinc/55/02/02/166550202.db2.gz ADUXJRVKKJUCRG-HNNXBMFYSA-N 0 0 249.354 2.447 50 0 BEAARN CC(C)(C)OC(=O)N1CCC(=O)C12CCC2 ZINC000390822016 166645411 /nfs/dbraw/zinc/64/54/11/166645411.db2.gz HELBTEOGDYXMOT-UHFFFAOYSA-N 0 0 225.288 2.119 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000012410462 166658925 /nfs/dbraw/zinc/65/89/25/166658925.db2.gz MENILFUADYEXNU-DTORHVGOSA-N 0 0 225.288 2.117 50 0 in-vitro BEAARN CC(C)(C)OC(=O)[C@@H]1N[C@@H]1c1cccc(F)c1 ZINC000095830028 166672424 /nfs/dbraw/zinc/67/24/24/166672424.db2.gz FOATVYJZLYYGOO-GHMZBOCLSA-N 0 0 237.274 2.180 50 0 BEAARN CC(C)(C)OC(=O)c1cccc(C=O)c1 ZINC000043220534 166676112 /nfs/dbraw/zinc/67/61/12/166676112.db2.gz GGPVOXVKIVXELX-UHFFFAOYSA-N 0 0 206.241 2.454 50 0 BEAARN CC(C)CCNc1nc(Cl)nc2nc[nH]c21 ZINC000009419234 166870120 /nfs/dbraw/zinc/87/01/20/166870120.db2.gz OVOOXYQQLZKLSD-UHFFFAOYSA-N 0 0 239.710 2.464 50 0 BEAARN CC(C)CCOc1cccc(C(N)=O)c1 ZINC000008568378 166883254 /nfs/dbraw/zinc/88/32/54/166883254.db2.gz LTHHTQMWDPKGSX-UHFFFAOYSA-N 0 0 207.273 2.210 50 0 BEAARN CC(C)CC[C@H](C)NC(=O)/C=C/c1cnn(C)c1 ZINC000023258628 166901099 /nfs/dbraw/zinc/90/10/99/166901099.db2.gz ZMGJIVISUSCTHE-GUOLPTJISA-N 0 0 249.358 2.374 50 0 BEAARN CCn1c2ccccc2nc1-c1cnn(C)c1N ZINC000103147675 410880108 /nfs/dbraw/zinc/88/01/08/410880108.db2.gz IJZMJRVVOOWJRP-ZSDZFUCWSA-N 0 0 241.298 2.058 50 0 BEAARN CNC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000103440739 410894529 /nfs/dbraw/zinc/89/45/29/410894529.db2.gz YDSKPJFCHXBLLX-FMIVXFBMSA-N 0 0 230.311 2.044 50 0 BEAARN CC(C)CNC(=O)c1cc(C(C)C)on1 ZINC000002498022 166997154 /nfs/dbraw/zinc/99/71/54/166997154.db2.gz NJQCXTUXTPMFQC-UHFFFAOYSA-N 0 0 210.277 2.184 50 0 BEAARN CC(C)CNC(=O)c1n[nH]c2c1CCCCCC2 ZINC000075337297 167000431 /nfs/dbraw/zinc/00/04/31/167000431.db2.gz YDVSCWBOQDKPFR-UHFFFAOYSA-N 0 0 249.358 2.455 50 0 BEAARN CC(C)CNC(=S)NC(=O)c1cccs1 ZINC000002891768 167000748 /nfs/dbraw/zinc/00/07/48/167000748.db2.gz DNQDBBMDGKXHNB-UHFFFAOYSA-N 0 0 242.369 2.008 50 0 BEAARN CC(C)CNc1c(N)c(=O)oc2ccccc21 ZINC000013879238 167015707 /nfs/dbraw/zinc/01/57/07/167015707.db2.gz JYJUAOUFEZVSQN-UHFFFAOYSA-N 0 0 232.283 2.443 50 0 BEAARN CC/C=C\C(=O)NCCOc1cccc(F)c1 ZINC000103455691 410898534 /nfs/dbraw/zinc/89/85/34/410898534.db2.gz UFJAIRKIOQBUBI-CLTKARDFSA-N 0 0 237.274 2.287 50 0 BEAARN CC(C)NC(=O)NCCc1cccc(F)c1 ZINC000032870514 167073599 /nfs/dbraw/zinc/07/35/99/167073599.db2.gz VXFHTXPRNHSYQV-UHFFFAOYSA-N 0 0 224.279 2.076 50 0 BEAARN CC(C)NC(=O)c1ccc(-n2cccc2)nc1 ZINC000064552791 167085120 /nfs/dbraw/zinc/08/51/20/167085120.db2.gz VVQVJZUYPBYQGY-UHFFFAOYSA-N 0 0 229.283 2.011 50 0 BEAARN CC(C)NC(=O)c1cc(-c2ccccc2O)on1 ZINC000003908553 167085970 /nfs/dbraw/zinc/08/59/70/167085970.db2.gz AEUKYXSZNSSZDL-UHFFFAOYSA-N 0 0 246.266 2.185 50 0 BEAARN CC(C)NC(=O)c1ccc(F)c(F)c1F ZINC000016649047 167087455 /nfs/dbraw/zinc/08/74/55/167087455.db2.gz JNLDLCSRTNGIEG-UHFFFAOYSA-N 0 0 217.190 2.242 50 0 BEAARN CC(C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038832215 167088463 /nfs/dbraw/zinc/08/84/63/167088463.db2.gz NSCQQZVWQBHOQH-UHFFFAOYSA-N 0 0 243.310 2.070 50 0 BEAARN CC(C)NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000012382644 167124421 /nfs/dbraw/zinc/12/44/21/167124421.db2.gz JAIXNHJDXWHGMX-UHFFFAOYSA-N 0 0 247.747 2.168 50 0 BEAARN CC(C)OC(=O)c1cc(N)ccc1Cl ZINC000000621661 167172688 /nfs/dbraw/zinc/17/26/88/167172688.db2.gz XEHDGJHIPJRFLH-UHFFFAOYSA-N 0 0 213.664 2.487 50 0 BEAARN CC(C)OCCC(=O)Nc1cc(O)cc(F)c1 ZINC000095448187 167202081 /nfs/dbraw/zinc/20/20/81/167202081.db2.gz BQCLKWHZHOFEDH-UHFFFAOYSA-N 0 0 241.262 2.285 50 0 BEAARN CC(C)OCCOC(=O)/C=C/c1ccco1 ZINC000003411523 167246304 /nfs/dbraw/zinc/24/63/04/167246304.db2.gz MDSWQAKUGRQNTK-AATRIKPKSA-N 0 0 224.256 2.261 50 0 BEAARN CC(C)Oc1ccc2[nH]c(=O)c(C=O)cc2c1 ZINC000011956159 167303218 /nfs/dbraw/zinc/30/32/18/167303218.db2.gz UBOALSPJJWLEMT-UHFFFAOYSA-N 0 0 231.251 2.128 50 0 BEAARN CC(C)[C@@H](C)CNC(=O)Cc1ccncc1 ZINC000355150313 167360197 /nfs/dbraw/zinc/36/01/97/167360197.db2.gz OMRAFEJPQCKYND-NSHDSACASA-N 0 0 220.316 2.032 50 0 BEAARN CC(C)[C@@H]1COC(CC2=N[C@@H](C(C)C)CO2)=N1 ZINC000005633389 167494875 /nfs/dbraw/zinc/49/48/75/167494875.db2.gz KEHOIBBPRFRZFW-PHIMTYICSA-N 0 0 238.331 2.283 50 0 BEAARN CC(C)c1ccc(NC(=S)NCCO)cc1 ZINC000005498942 167603751 /nfs/dbraw/zinc/60/37/51/167603751.db2.gz AFNSTYCYSARPMO-UHFFFAOYSA-N 0 0 238.356 2.089 50 0 BEAARN Cc1cc(C(=O)N(C)[C@H](C)CC(C)C)no1 ZINC000045781429 411149002 /nfs/dbraw/zinc/14/90/02/411149002.db2.gz IEGCLIBZLAPRIW-SECBINFHSA-N 0 0 224.304 2.490 50 0 BEAARN COC[C@@H](C)Nc1nc(C)c(C(C)=O)s1 ZINC000003325114 411181998 /nfs/dbraw/zinc/18/19/98/411181998.db2.gz XDQGEILYHRINOU-ZCFIWIBFSA-N 0 0 228.317 2.101 50 0 BEAARN COc1ncccc1NC(=O)N1CCC[C@H](C)C1 ZINC000048286101 411186384 /nfs/dbraw/zinc/18/63/84/411186384.db2.gz AWOGDIFALJLRIV-JTQLQIEISA-N 0 0 249.314 2.354 50 0 BEAARN CCC[C@H](C)NC(=O)Nc1cccnc1OC ZINC000048302004 411186891 /nfs/dbraw/zinc/18/68/91/411186891.db2.gz XZXBESVOFCCXBD-VIFPVBQESA-N 0 0 237.303 2.400 50 0 BEAARN Cc1ccsc1CNC(=O)Nc1cn[nH]c1 ZINC000046987396 411208805 /nfs/dbraw/zinc/20/88/05/411208805.db2.gz LABKLJBXPGVBIM-UHFFFAOYSA-N 0 0 236.300 2.101 50 0 BEAARN Cc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000048707432 411210911 /nfs/dbraw/zinc/21/09/11/411210911.db2.gz GOUXCXQRBFRNDH-UHFFFAOYSA-N 0 0 249.220 2.316 50 0 BEAARN COc1ncccc1NC(=O)C1CCCC1 ZINC000048783317 411215989 /nfs/dbraw/zinc/21/59/89/411215989.db2.gz DXNXDXZGHYGCSW-UHFFFAOYSA-N 0 0 220.272 2.219 50 0 BEAARN C[C@H](CC(=O)Nc1ncccc1O)C1CC1 ZINC000049086672 411222970 /nfs/dbraw/zinc/22/29/70/411222970.db2.gz UWWMHGPSKGLMRK-MRVPVSSYSA-N 0 0 220.272 2.162 50 0 BEAARN CC(C)(C)OC(=O)N1CC(=O)CC(C)(C)C1 ZINC000084249191 167883013 /nfs/dbraw/zinc/88/30/13/167883013.db2.gz XIVWTYQQVHHCFB-UHFFFAOYSA-N 0 0 227.304 2.223 50 0 BEAARN CC1(C)CC(=O)c2ccccc2[S@@]1=O ZINC000039236520 167883515 /nfs/dbraw/zinc/88/35/15/167883515.db2.gz WOOJHNTVFKIULA-CQSZACIVSA-N 0 0 208.282 2.159 50 0 BEAARN CC1(C)COCCN1C(=O)C1CCCCC1 ZINC000036101936 167970163 /nfs/dbraw/zinc/97/01/63/167970163.db2.gz VXABPRDOSCYHTQ-UHFFFAOYSA-N 0 0 225.332 2.204 50 0 BEAARN Cc1ccsc1/C=C1\N=C(C)OC1=O ZINC000000128117 168132679 /nfs/dbraw/zinc/13/26/79/168132679.db2.gz AXLPLQOMVAFLKL-YVMONPNESA-N 0 0 207.254 2.373 50 0 BEAARN CC1=N/C(=C/c2ccc(F)cc2)C(=O)O1 ZINC000001624767 168133046 /nfs/dbraw/zinc/13/30/46/168133046.db2.gz CJDRPIOMZCOCEB-UXBLZVDNSA-N 0 0 205.188 2.142 50 0 in-vitro BEAARN CC1=NO[C@@H](CNC(=O)Nc2cccc(C)c2)C1 ZINC000064556013 168136417 /nfs/dbraw/zinc/13/64/17/168136417.db2.gz UWZAQJMEHHRTGS-GFCCVEGCSA-N 0 0 247.298 2.281 50 0 BEAARN CC1=CSc2nnc(-c3ccccc3)n2N1 ZINC000000160047 168137477 /nfs/dbraw/zinc/13/74/77/168137477.db2.gz VBENHQXTZTWWDS-UHFFFAOYSA-N 0 0 230.296 2.275 50 0 BEAARN CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000231413 168187090 /nfs/dbraw/zinc/18/70/90/168187090.db2.gz BKTIHUUUEHVIEQ-UHFFFAOYSA-N 0 0 239.340 2.107 50 0 BEAARN CCC(=O)N(CCC(=O)OC)c1ccccc1C ZINC000097139705 168212758 /nfs/dbraw/zinc/21/27/58/168212758.db2.gz JYVCQKMLPQTYGE-UHFFFAOYSA-N 0 0 249.310 2.301 50 0 BEAARN CCC(=O)N(c1ccccc1)[C@H](CC)C(=O)OC ZINC000071905525 168214723 /nfs/dbraw/zinc/21/47/23/168214723.db2.gz ATLNOUOFXWFLDP-GFCCVEGCSA-N 0 0 249.310 2.381 50 0 BEAARN CCC(=O)N1CCO[C@H](c2ccc(C)cc2)C1 ZINC000041171059 168221156 /nfs/dbraw/zinc/22/11/56/168221156.db2.gz MHRGGFFMYVLARX-ZDUSSCGKSA-N 0 0 233.311 2.305 50 0 BEAARN CCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000005427923 168225733 /nfs/dbraw/zinc/22/57/33/168225733.db2.gz PWQBEEMZIMYAMT-UHFFFAOYSA-N 0 0 228.295 2.463 50 0 BEAARN CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000000352027 168230661 /nfs/dbraw/zinc/23/06/61/168230661.db2.gz JIKOBZRNRCOBRY-UHFFFAOYSA-N 0 0 216.284 2.237 50 0 biogenic BEAARN CCC(=O)NCc1ccccc1Br ZINC000013322356 168233806 /nfs/dbraw/zinc/23/38/06/168233806.db2.gz YGXLEXDBURIQHW-UHFFFAOYSA-N 0 0 242.116 2.475 50 0 BEAARN CCC(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000021174183 168234681 /nfs/dbraw/zinc/23/46/81/168234681.db2.gz GDMPSFXWTGCNOU-UHFFFAOYSA-N 0 0 245.282 2.071 50 0 BEAARN CCC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000058343379 168237746 /nfs/dbraw/zinc/23/77/46/168237746.db2.gz FMYOLBFSOWFBGY-LLVKDONJSA-N 0 0 219.284 2.427 50 0 BEAARN CCC(=O)N[C@H](C)COc1ccccc1C ZINC000055693230 168239337 /nfs/dbraw/zinc/23/93/37/168239337.db2.gz GFFCBVZPGXQGND-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN CCC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000009749224 168242170 /nfs/dbraw/zinc/24/21/70/168242170.db2.gz ZHQATYDWLRZWFG-UHFFFAOYSA-N 0 0 221.256 2.130 50 0 BEAARN CCC(=O)Nc1cccc(NC(C)=O)c1C ZINC000012913512 168245131 /nfs/dbraw/zinc/24/51/31/168245131.db2.gz WYSCYSCFMJHJRG-UHFFFAOYSA-N 0 0 220.272 2.302 50 0 BEAARN CCC(=O)c1cc2c(cc1NC(C)=O)OCCO2 ZINC000004422566 168254669 /nfs/dbraw/zinc/25/46/69/168254669.db2.gz JCLWZMBFCCRQSZ-UHFFFAOYSA-N 0 0 249.266 2.009 50 0 BEAARN CCC(=O)c1c[nH]c(C(=O)NCc2ccco2)c1 ZINC000005524334 168254672 /nfs/dbraw/zinc/25/46/72/168254672.db2.gz CJSVTZQRALXPGH-UHFFFAOYSA-N 0 0 246.266 2.130 50 0 BEAARN CCC(=O)c1cc2c(cc1N=O)OCCO2 ZINC000004551169 168255073 /nfs/dbraw/zinc/25/50/73/168255073.db2.gz CRBZQZYGDYHQQP-UHFFFAOYSA-N 0 0 221.212 2.448 50 0 BEAARN CCC(C)(C)C(=O)N1CCc2cnccc21 ZINC000097084720 168263549 /nfs/dbraw/zinc/26/35/49/168263549.db2.gz BIJJSKJWYLOUJM-UHFFFAOYSA-N 0 0 218.300 2.407 50 0 BEAARN CCC(C)(C)NC(=O)Nc1cccnc1 ZINC000034413139 168293797 /nfs/dbraw/zinc/29/37/97/168293797.db2.gz RMVGUNWFVFEXJI-UHFFFAOYSA-N 0 0 207.277 2.392 50 0 BEAARN CCC(C)(C)NC(=O)c1ccc2c(c1)OCCO2 ZINC000004516977 168296665 /nfs/dbraw/zinc/29/66/65/168296665.db2.gz NQLRQDSDGYHHHH-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN CCC(C)(C)c1nc(C(C)(C)NC(C)=O)no1 ZINC000096449323 168306098 /nfs/dbraw/zinc/30/60/98/168306098.db2.gz GYFMPZSXQIXNGY-UHFFFAOYSA-N 0 0 239.319 2.128 50 0 BEAARN Brc1ccnn1-c1ccccn1 ZINC000137310999 411431568 /nfs/dbraw/zinc/43/15/68/411431568.db2.gz NOWKPHLHODDVIA-UHFFFAOYSA-N 0 0 224.061 2.030 50 0 BEAARN CCN(Cc1ccncc1)C(=O)c1ccco1 ZINC000006715762 169924949 /nfs/dbraw/zinc/92/49/49/169924949.db2.gz JZZHDFXEOWGVPN-UHFFFAOYSA-N 0 0 230.267 2.337 50 0 BEAARN CCCCNC(=O)c1ccc(OCC)nc1 ZINC000044814661 411479756 /nfs/dbraw/zinc/47/97/56/411479756.db2.gz BEOXBBAGPDGCQC-UHFFFAOYSA-N 0 0 222.288 2.010 50 0 BEAARN CCN1C(=O)S/C(=C\c2cccn2C)C1=O ZINC000005509699 169948142 /nfs/dbraw/zinc/94/81/42/169948142.db2.gz REJVUDCCHFACHG-CLFYSBASSA-N 0 0 236.296 2.081 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)NCCc1ccccc1F ZINC000045293368 411493385 /nfs/dbraw/zinc/49/33/85/411493385.db2.gz CGUXFWWFPRLSKX-ONGXEEELSA-N 0 0 221.275 2.140 50 0 BEAARN CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000000192109 170041349 /nfs/dbraw/zinc/04/13/49/170041349.db2.gz FMQSQMHNQGKEMO-UHFFFAOYSA-N 0 0 233.292 2.368 50 0 BEAARN CCNC(=O)CN(Cc1ccc(C)cc1)C1CC1 ZINC000045837863 170058576 /nfs/dbraw/zinc/05/85/76/170058576.db2.gz AUKXHHYQFDBKEG-UHFFFAOYSA-N 0 0 246.354 2.096 50 0 BEAARN CCNC(=O)Cc1cc(-c2ccc(F)cc2)on1 ZINC000012864258 170070337 /nfs/dbraw/zinc/07/03/37/170070337.db2.gz VDEGTAWUSMUPQP-UHFFFAOYSA-N 0 0 248.257 2.159 50 0 BEAARN CCNC(=O)N[C@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000058163633 170083764 /nfs/dbraw/zinc/08/37/64/170083764.db2.gz PQLSWSQCWAVIJX-STQMWFEESA-N 0 0 232.327 2.478 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1ccccc1CC ZINC000038753188 170090080 /nfs/dbraw/zinc/09/00/80/170090080.db2.gz LCAQNYCLQVOSJK-SNVBAGLBSA-N 0 0 221.300 2.152 50 0 BEAARN CCNC(=O)[C@H](C)SCc1ccccc1 ZINC000000449984 170096900 /nfs/dbraw/zinc/09/69/00/170096900.db2.gz VWONAWULNYVNJA-JTQLQIEISA-N 0 0 223.341 2.444 50 0 BEAARN CCNC(=O)[C@H](CC)OC1CCCCC1 ZINC000089941876 170097578 /nfs/dbraw/zinc/09/75/78/170097578.db2.gz PCLVLBRZIBRXLC-NSHDSACASA-N 0 0 213.321 2.250 50 0 BEAARN CCNC(=O)c1cc(F)ccc1Br ZINC000016159681 170099844 /nfs/dbraw/zinc/09/98/44/170099844.db2.gz KLALFQDFOJUXEX-UHFFFAOYSA-N 0 0 246.079 2.338 50 0 BEAARN CCNC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000064554515 170100137 /nfs/dbraw/zinc/10/01/37/170100137.db2.gz NBWGDVKUSBPFCK-UHFFFAOYSA-N 0 0 243.310 2.051 50 0 BEAARN CCNC(=O)c1csc2c1CCCC2 ZINC000032668071 170104567 /nfs/dbraw/zinc/10/45/67/170104567.db2.gz RLORTICOSMWHKX-UHFFFAOYSA-N 0 0 209.314 2.377 50 0 BEAARN CCNC(=O)c1ccc(OCC)c(C)c1 ZINC000013582186 170102575 /nfs/dbraw/zinc/10/25/75/170102575.db2.gz TXQLRHLMIPCXEO-UHFFFAOYSA-N 0 0 207.273 2.143 50 0 BEAARN CCNC(=O)c1cccc(OC(C)C)c1 ZINC000006702778 170103833 /nfs/dbraw/zinc/10/38/33/170103833.db2.gz OGPHXPUXSAEBKR-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN CCNC(=O)c1ccccc1Br ZINC000005456608 170103852 /nfs/dbraw/zinc/10/38/52/170103852.db2.gz DWCBZUWYUAIEEP-UHFFFAOYSA-N 0 0 228.089 2.199 50 0 BEAARN CCNC(=O)c1cnn(-c2ccccc2C)c1C ZINC000006773993 170104507 /nfs/dbraw/zinc/10/45/07/170104507.db2.gz ZMDIIBNLPJSMNR-UHFFFAOYSA-N 0 0 243.310 2.239 50 0 BEAARN CCNC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000058354702 170104684 /nfs/dbraw/zinc/10/46/84/170104684.db2.gz GZABKSCIQKUQDU-UHFFFAOYSA-N 0 0 249.701 2.275 50 0 BEAARN CCNC(=S)NCCc1ccc(Cl)cc1 ZINC000006639895 170105518 /nfs/dbraw/zinc/10/55/18/170105518.db2.gz FCIQOJFQSWPBRR-UHFFFAOYSA-N 0 0 242.775 2.367 50 0 BEAARN CCNC(=S)Nc1cccc(OC)c1 ZINC000000618484 170106632 /nfs/dbraw/zinc/10/66/32/170106632.db2.gz IADHKKYKNWZRIF-UHFFFAOYSA-N 0 0 210.302 2.002 50 0 BEAARN CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000000577361 170136814 /nfs/dbraw/zinc/13/68/14/170136814.db2.gz DDANNVJWHXFIDK-UHFFFAOYSA-N 0 0 235.308 2.138 50 0 BEAARN CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000007779361 170137381 /nfs/dbraw/zinc/13/73/81/170137381.db2.gz JZJQCPKIXBSFIS-UHFFFAOYSA-N 0 0 227.329 2.108 50 0 BEAARN CCNc1nc(C)cc(C(F)(F)F)n1 ZINC000003091420 170176442 /nfs/dbraw/zinc/17/64/42/170176442.db2.gz JCTGMGHMTCSAET-UHFFFAOYSA-N 0 0 205.183 2.236 50 0 BEAARN CCOC(=N)c1ccc(CC(=O)OCC)cc1 ZINC000255187020 170179973 /nfs/dbraw/zinc/17/99/73/170179973.db2.gz ATNLQUNNEVSECB-UHFFFAOYSA-N 0 0 235.283 2.154 50 0 BEAARN CCOC(=O)/C(Br)=C/C(F)(F)F ZINC000044830577 170181060 /nfs/dbraw/zinc/18/10/60/170181060.db2.gz PQHJSEFAYJGCNJ-ARJAWSKDSA-N 0 0 247.010 2.391 50 0 BEAARN CCOC(=O)C(=O)c1cc(Cl)ccc1OC ZINC000041287251 170184683 /nfs/dbraw/zinc/18/46/83/170184683.db2.gz TYJGCFNKZHJLMB-UHFFFAOYSA-N 0 0 242.658 2.094 50 0 BEAARN CCOC(=O)C(=O)c1ccc(SC)cc1 ZINC000002245451 170184709 /nfs/dbraw/zinc/18/47/09/170184709.db2.gz AAVSFTKDXIEMEI-UHFFFAOYSA-N 0 0 224.281 2.154 50 0 BEAARN CCOC(=O)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000002387808 170184806 /nfs/dbraw/zinc/18/48/06/170184806.db2.gz GWZHQTZYBBUMHI-UHFFFAOYSA-N 0 0 246.184 2.451 50 0 BEAARN CCOC(=O)C(=O)c1c(C)cccc1C ZINC000043209593 170184872 /nfs/dbraw/zinc/18/48/72/170184872.db2.gz QORNSGMLNZETAG-UHFFFAOYSA-N 0 0 206.241 2.049 50 0 BEAARN CCOC(=O)C1=C(N)S[C@H]2CCCC[C@H]12 ZINC000019626551 170191247 /nfs/dbraw/zinc/19/12/47/170191247.db2.gz MHLOZPWQZPKMGT-YUMQZZPRSA-N 0 0 227.329 2.025 50 0 BEAARN CCOC(=O)CC(=O)Cc1ccc(Cl)cc1 ZINC000002518202 170193883 /nfs/dbraw/zinc/19/38/83/170193883.db2.gz JOEFETLDNZHBHE-UHFFFAOYSA-N 0 0 240.686 2.405 50 0 BEAARN CCOC(=O)CC(=O)Nc1ccccc1CC ZINC000004739064 170197399 /nfs/dbraw/zinc/19/73/99/170197399.db2.gz OPUBZTNGWQPDBL-UHFFFAOYSA-N 0 0 235.283 2.141 50 0 BEAARN CCOC(=O)CC1(CC(=O)OCC)CCC1 ZINC000066055182 170198146 /nfs/dbraw/zinc/19/81/46/170198146.db2.gz MBAAFUHPVJVWIB-UHFFFAOYSA-N 0 0 228.288 2.063 50 0 BEAARN CCOC(=O)C=C1CC(=O)Nc2ccccc2N1 ZINC000100643303 170198223 /nfs/dbraw/zinc/19/82/23/170198223.db2.gz RVBWREBACVKBSV-UHFFFAOYSA-N 0 0 246.266 2.055 50 0 BEAARN CCOC(=O)CCC(=O)c1ccccc1OC ZINC000002243623 170198952 /nfs/dbraw/zinc/19/89/52/170198952.db2.gz FUFBZYFYTPPYLG-UHFFFAOYSA-N 0 0 236.267 2.221 50 0 BEAARN CCOC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000002378917 170199016 /nfs/dbraw/zinc/19/90/16/170199016.db2.gz ZYPZSBVMXDYVRF-UHFFFAOYSA-N 0 0 242.221 2.491 50 0 BEAARN CCOC(=O)CCc1ccc(O)cc1F ZINC000095725454 170211484 /nfs/dbraw/zinc/21/14/84/170211484.db2.gz ZIUFSWWLZLUAND-UHFFFAOYSA-N 0 0 212.220 2.027 50 0 BEAARN CCOC(=O)CCc1nc2ccccc2[nH]1 ZINC000000191076 170212415 /nfs/dbraw/zinc/21/24/15/170212415.db2.gz JPJXAIMBLLYVCO-UHFFFAOYSA-N 0 0 218.256 2.059 50 0 in-vitro BEAARN CCOC(=O)CNc1ccc(C)c(C)c1 ZINC000000052042 170227004 /nfs/dbraw/zinc/22/70/04/170227004.db2.gz MLVKVEGHYWZIRP-UHFFFAOYSA-N 0 0 207.273 2.278 50 0 BEAARN CCOC(=O)CNc1ccccc1Cl ZINC000020052091 170228017 /nfs/dbraw/zinc/22/80/17/170228017.db2.gz NAYDBQQEELMVED-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN CCOC(=O)COc1ccc(C)cc1C(C)=O ZINC000035205792 170229059 /nfs/dbraw/zinc/22/90/59/170229059.db2.gz HVWWVNAQQNTWKF-UHFFFAOYSA-N 0 0 236.267 2.140 50 0 BEAARN CCOC(=O)COc1c(C)cccc1C ZINC000001712906 170229151 /nfs/dbraw/zinc/22/91/51/170229151.db2.gz QXQQEZSRMZQLEO-UHFFFAOYSA-N 0 0 208.257 2.245 50 0 in-vitro BEAARN CCOC(=O)Cc1cc(OC)cc(F)c1F ZINC000259929136 170234976 /nfs/dbraw/zinc/23/49/76/170234976.db2.gz HFOUGBQRCWTJPP-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1cc(F)c(F)cc1OC ZINC000261171005 170235003 /nfs/dbraw/zinc/23/50/03/170235003.db2.gz BYQSEHUOGBMTLP-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1c(F)cc(C)cc1F ZINC000263624955 170235310 /nfs/dbraw/zinc/23/53/10/170235310.db2.gz VONCPOPXLWZWLV-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1c(F)cccc1F ZINC000000166873 170235397 /nfs/dbraw/zinc/23/53/97/170235397.db2.gz VFRKTYPWLLOMFK-UHFFFAOYSA-N 0 0 200.184 2.070 50 0 BEAARN CCOC(=O)Cn1c(Cl)nc2ccccc21 ZINC000000390946 170236969 /nfs/dbraw/zinc/23/69/69/170236969.db2.gz SOBCJCHWPKALNG-UHFFFAOYSA-N 0 0 238.674 2.253 50 0 BEAARN CCOC(=O)Cc1noc(-c2ccc(C)cc2)n1 ZINC000071873592 170237142 /nfs/dbraw/zinc/23/71/42/170237142.db2.gz STRXWDLXLATVKC-UHFFFAOYSA-N 0 0 246.266 2.151 50 0 BEAARN CCOC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000015859032 170241281 /nfs/dbraw/zinc/24/12/81/170241281.db2.gz UAYLFEDQTYHRNC-VIFPVBQESA-N 0 0 248.282 2.380 50 0 BEAARN CCOC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000013329173 170243264 /nfs/dbraw/zinc/24/32/64/170243264.db2.gz IJTKJSIFZMWKKS-MRVPVSSYSA-N 0 0 237.255 2.222 50 0 BEAARN CCOC(=O)Nc1nc2ccccc2[nH]1 ZINC000000049910 170243757 /nfs/dbraw/zinc/24/37/57/170243757.db2.gz OKOVSTKGUBOSTB-UHFFFAOYSA-N 0 0 205.217 2.131 50 0 in-man BEAARN CCOC(=O)Nc1cccc(-c2nncn2C)c1 ZINC000030952983 170243822 /nfs/dbraw/zinc/24/38/22/170243822.db2.gz JVWQTZHOOAXIIE-UHFFFAOYSA-N 0 0 246.270 2.051 50 0 BEAARN CCOC(=O)[C@@H](C)n1nc(C)c(CC)c1C ZINC000047218797 170248821 /nfs/dbraw/zinc/24/88/21/170248821.db2.gz YTGIDAVTNPREAJ-SNVBAGLBSA-N 0 0 224.304 2.186 50 0 BEAARN CCOC(=O)[C@@H](C)n1nc(C(F)F)cc1C ZINC000002732075 170249187 /nfs/dbraw/zinc/24/91/87/170249187.db2.gz JNEXRLYGHGVPLV-SSDOTTSWSA-N 0 0 232.230 2.253 50 0 BEAARN CCOC(=O)C(=CC(Cl)Cl)C(C)=O ZINC000005125602 170250447 /nfs/dbraw/zinc/25/04/47/170250447.db2.gz GJQIXXRQPADXLU-LURJTMIESA-N 0 0 225.071 2.074 50 0 BEAARN CCOC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1 ZINC000098072742 170259887 /nfs/dbraw/zinc/25/98/87/170259887.db2.gz JCJZOMFERPNRMY-WDEREUQCSA-N 0 0 243.372 2.161 50 0 BEAARN CCOC(=O)[C@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061096645 170269249 /nfs/dbraw/zinc/26/92/49/170269249.db2.gz GOENYNHPRWNTSY-LURJTMIESA-N 0 0 247.216 2.467 50 0 BEAARN CCOC(=O)[C@H](CC)Sc1nc(CC)c[nH]1 ZINC000225443167 170272463 /nfs/dbraw/zinc/27/24/63/170272463.db2.gz IQKMWILULDQJJN-VIFPVBQESA-N 0 0 242.344 2.406 50 0 BEAARN CCOC(=O)[C@H](NC(=O)c1ccccc1)C(C)C ZINC000003112113 170276646 /nfs/dbraw/zinc/27/66/46/170276646.db2.gz DUYTUNJNNLBNMT-GFCCVEGCSA-N 0 0 249.310 2.004 50 0 BEAARN CCOC(=O)[C@H]1CS[C@H](C(CC)CC)N1 ZINC000098072910 170282252 /nfs/dbraw/zinc/28/22/52/170282252.db2.gz YZFDGJYGTWXSHY-NXEZZACHSA-N 0 0 231.361 2.017 50 0 BEAARN CCOC(=O)[C@H]1ON=C(CC)[C@H]1c1ccccc1 ZINC000071773931 170282834 /nfs/dbraw/zinc/28/28/34/170282834.db2.gz XVAJFVZQMHAHHL-OLZOCXBDSA-N 0 0 247.294 2.498 50 0 BEAARN CCOC(=O)C1=NNC[C@H]1c1ccc(OC)cc1 ZINC000085389847 170283121 /nfs/dbraw/zinc/28/31/21/170283121.db2.gz TWEQXAIFXJNBKL-RYUDHWBXSA-N 0 0 248.282 2.176 50 0 BEAARN CCOC(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000000050257 170287362 /nfs/dbraw/zinc/28/73/62/170287362.db2.gz ZCNAULQFSXEJTD-UHFFFAOYSA-N 0 0 209.245 2.011 50 0 BEAARN CCOC(=O)c1c(N)[nH]cc1-c1ccccc1 ZINC000000168264 170287440 /nfs/dbraw/zinc/28/74/40/170287440.db2.gz YRZHKCQCHAZCNB-UHFFFAOYSA-N 0 0 230.267 2.441 50 0 BEAARN CCOC(=O)c1n[nH]c2ccc(C)cc21 ZINC000043463377 170287798 /nfs/dbraw/zinc/28/77/98/170287798.db2.gz ANFMPWOIOOOXBW-UHFFFAOYSA-N 0 0 204.229 2.048 50 0 BEAARN CCOC(=O)c1cc(-c2cccc(F)c2)[nH]n1 ZINC000035956056 170290632 /nfs/dbraw/zinc/29/06/32/170290632.db2.gz YDZJPZYYVAYWIS-UHFFFAOYSA-N 0 0 234.230 2.393 50 0 BEAARN CCOC(=O)c1cc(C)nn1-c1ccccc1 ZINC000000127564 170291250 /nfs/dbraw/zinc/29/12/50/170291250.db2.gz XAKCPDKGPSNLDD-UHFFFAOYSA-N 0 0 230.267 2.357 50 0 BEAARN CCOC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000008700407 170291845 /nfs/dbraw/zinc/29/18/45/170291845.db2.gz YBPIMHCENGHGMJ-UHFFFAOYSA-N 0 0 230.267 2.357 50 0 BEAARN CCOC(=O)c1cc(OC)n(-c2ccccc2)n1 ZINC000039208526 170293375 /nfs/dbraw/zinc/29/33/75/170293375.db2.gz ACOYTVKWAQINBN-UHFFFAOYSA-N 0 0 246.266 2.058 50 0 BEAARN CCOC(=O)c1cc2cc(OC)ccc2n1C ZINC000000356684 170293857 /nfs/dbraw/zinc/29/38/57/170293857.db2.gz WOVFRLDOPMHGEK-UHFFFAOYSA-N 0 0 233.267 2.364 50 0 BEAARN CCOC(=O)c1cc2ccccc2n1C ZINC000000478154 170293910 /nfs/dbraw/zinc/29/39/10/170293910.db2.gz FRLLPWADCHCBBY-UHFFFAOYSA-N 0 0 203.241 2.355 50 0 BEAARN CCOC(=O)c1cc2cc(C(=O)OC)ccc2[nH]1 ZINC000006662048 170293916 /nfs/dbraw/zinc/29/39/16/170293916.db2.gz DFILAPAOMFUIAA-UHFFFAOYSA-N 0 0 247.250 2.131 50 0 BEAARN CCOC(=O)c1cc2ccccc2c(=O)s1 ZINC000000079323 170294164 /nfs/dbraw/zinc/29/41/64/170294164.db2.gz WYIRXVPPOUHRAR-UHFFFAOYSA-N 0 0 234.276 2.438 50 0 BEAARN CCOC(=O)c1ccc(C(F)(F)F)nc1 ZINC000002540313 170295060 /nfs/dbraw/zinc/29/50/60/170295060.db2.gz NRFRJTLIEGYCOA-UHFFFAOYSA-N 0 0 219.162 2.277 50 0 in-vitro BEAARN CCOC(=O)c1ccc(Cl)c(OC)c1N ZINC000042391849 170296317 /nfs/dbraw/zinc/29/63/17/170296317.db2.gz APAHDZXAQRCRLS-UHFFFAOYSA-N 0 0 229.663 2.108 50 0 BEAARN CCOC(=O)c1ccc2c(c1)nnn2C(C)C ZINC000095496132 170297951 /nfs/dbraw/zinc/29/79/51/170297951.db2.gz ZSFGNCCWXQWQFB-UHFFFAOYSA-N 0 0 233.271 2.189 50 0 BEAARN CCOC(=O)c1ccc2ccccc2n1 ZINC000001723446 170298322 /nfs/dbraw/zinc/29/83/22/170298322.db2.gz PWOYTBYNBYNZCO-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1cccc(=O)c2c(C)[nH]c(C)c21 ZINC000001422508 170298905 /nfs/dbraw/zinc/29/89/05/170298905.db2.gz MOTGTQFBXGHRIH-UHFFFAOYSA-N 0 0 245.278 2.322 50 0 BEAARN CCOC(=O)c1ccsc1NC(=O)CC ZINC000004275713 170300548 /nfs/dbraw/zinc/30/05/48/170300548.db2.gz KECLMWRRWFNCSE-UHFFFAOYSA-N 0 0 227.285 2.273 50 0 BEAARN CCOC(=O)c1cn(-c2ccc(C)c(C)c2)nn1 ZINC000015829236 170300591 /nfs/dbraw/zinc/30/05/91/170300591.db2.gz BBDRZUGSYWJCPW-UHFFFAOYSA-N 0 0 245.282 2.061 50 0 BEAARN CCOC(=O)c1cnc(SC)nc1Cl ZINC000000119543 170302240 /nfs/dbraw/zinc/30/22/40/170302240.db2.gz SNNHLSHDDGJVDM-UHFFFAOYSA-N 0 0 232.692 2.029 50 0 in-vitro BEAARN CCOC(=O)c1cnc2[nH]ccc2c1Cl ZINC000071624287 170302332 /nfs/dbraw/zinc/30/23/32/170302332.db2.gz YFJJWKAUSJQWAZ-UHFFFAOYSA-N 0 0 224.647 2.393 50 0 BEAARN CCOC(=O)C1C=NN(c2ccccc2C)C1=O ZINC000034118161 170302976 /nfs/dbraw/zinc/30/29/76/170302976.db2.gz MIBPTJZQIXUYBW-UHFFFAOYSA-N 0 0 246.266 2.063 50 0 BEAARN CCOC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC000034424245 170303871 /nfs/dbraw/zinc/30/38/71/170303871.db2.gz MEUROLLIWZOVNK-UHFFFAOYSA-N 0 0 234.230 2.188 50 0 BEAARN CCOC(=O)c1nc(C(F)(F)F)ccc1OC ZINC000263624404 170306633 /nfs/dbraw/zinc/30/66/33/170306633.db2.gz QDZSYPUIWHFIBY-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN CCOC(=O)c1nc2ccccc2s1 ZINC000000128851 170307832 /nfs/dbraw/zinc/30/78/32/170307832.db2.gz VLQLCEXNNGQELL-UHFFFAOYSA-N 0 0 207.254 2.473 50 0 BEAARN CCOC(=O)c1ncn2c1cccc2Cl ZINC000072338682 170308741 /nfs/dbraw/zinc/30/87/41/170308741.db2.gz NKMJBGUAWJPRBV-UHFFFAOYSA-N 0 0 224.647 2.164 50 0 BEAARN CCOC(=O)c1ncsc1C(F)(F)F ZINC000095804009 170308947 /nfs/dbraw/zinc/30/89/47/170308947.db2.gz ITLCVRWHHVATKO-UHFFFAOYSA-N 0 0 225.191 2.339 50 0 BEAARN CCOC(=O)c1sc(NC(C)=O)cc1C ZINC000000988692 170310640 /nfs/dbraw/zinc/31/06/40/170310640.db2.gz FNZQOTACSUUEAD-UHFFFAOYSA-N 0 0 227.285 2.192 50 0 BEAARN CCOC(=O)c1occc1Br ZINC000113140105 170310819 /nfs/dbraw/zinc/31/08/19/170310819.db2.gz FCEFSCZCMZCMES-UHFFFAOYSA-N 0 0 219.034 2.219 50 0 BEAARN CCOC(=O)c1sc(NC(C)C)nc1C ZINC000004294235 170310841 /nfs/dbraw/zinc/31/08/41/170310841.db2.gz UBPBGCZFCHQGBW-UHFFFAOYSA-N 0 0 228.317 2.449 50 0 BEAARN CCOCC(=O)NC1CCCCCCC1 ZINC000016970014 170343757 /nfs/dbraw/zinc/34/37/57/170343757.db2.gz DEWPTVXAXMAHMK-UHFFFAOYSA-N 0 0 213.321 2.252 50 0 BEAARN CCOCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000038716996 170348171 /nfs/dbraw/zinc/34/81/71/170348171.db2.gz HGBNPVYLABIZDN-UHFFFAOYSA-N 0 0 245.282 2.052 50 0 BEAARN CCOCCC(=O)N1CCCC[C@@H]1CC ZINC000004825784 170358686 /nfs/dbraw/zinc/35/86/86/170358686.db2.gz WKKFGJOWOJVDQI-NSHDSACASA-N 0 0 213.321 2.204 50 0 BEAARN CCOCCCC(=O)Nc1cccnc1C ZINC000073347794 170366764 /nfs/dbraw/zinc/36/67/64/170366764.db2.gz MLFGHVWEZWHNPN-UHFFFAOYSA-N 0 0 222.288 2.145 50 0 BEAARN CCOCCCNC(=O)c1ccccc1C ZINC000041590862 170379887 /nfs/dbraw/zinc/37/98/87/170379887.db2.gz BWEUTTNDMVODIG-UHFFFAOYSA-N 0 0 221.300 2.151 50 0 BEAARN CCOCCCNc1nc2ccccc2[nH]1 ZINC000002423757 170384407 /nfs/dbraw/zinc/38/44/07/170384407.db2.gz LQOSKPDHKWQSDX-UHFFFAOYSA-N 0 0 219.288 2.401 50 0 BEAARN CCOCCOc1ccc2cc(N)ccc2n1 ZINC000035343836 170423667 /nfs/dbraw/zinc/42/36/67/170423667.db2.gz BBAFBWRQKYFRID-UHFFFAOYSA-N 0 0 232.283 2.232 50 0 BEAARN CCOP(=O)(CC(=O)CC)OCC ZINC000002585404 170469462 /nfs/dbraw/zinc/46/94/62/170469462.db2.gz GQBVFZDYDHGZPY-UHFFFAOYSA-N 0 0 208.194 2.232 50 0 BEAARN CCO[C@@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000040523427 170473616 /nfs/dbraw/zinc/47/36/16/170473616.db2.gz PYCPAPAWSJBDMI-BDAKNGLRSA-N 0 0 227.329 2.350 50 0 BEAARN CCOc1cc(C)ccc1NC(=O)N(C)C ZINC000069769336 170520550 /nfs/dbraw/zinc/52/05/50/170520550.db2.gz YAIFRFFCJDJAFF-UHFFFAOYSA-N 0 0 222.288 2.487 50 0 BEAARN CCOc1ccccc1/C=C1/SC(=N)NC1=O ZINC000005549606 170589355 /nfs/dbraw/zinc/58/93/55/170589355.db2.gz UTFSGLHWEXAKJJ-JXMROGBWSA-N 0 0 248.307 2.224 50 0 BEAARN CCOc1ncnc2cc(OC)c(OC)cc21 ZINC000000116818 170605134 /nfs/dbraw/zinc/60/51/34/170605134.db2.gz YXMJHHGPKVWXJH-UHFFFAOYSA-N 0 0 234.255 2.046 50 0 BEAARN O=C(C1CCCC1)N1CCOC2(CCCC2)C1 ZINC000095422732 322929395 /nfs/dbraw/zinc/92/93/95/322929395.db2.gz WHMXBKNMZTWVTL-UHFFFAOYSA-N 0 0 237.343 2.348 50 0 BEAARN CC[C@@H](C)C(=O)NCc1nc(C)cs1 ZINC000048354039 170681268 /nfs/dbraw/zinc/68/12/68/170681268.db2.gz SQBVNZCZKGWOEG-SSDOTTSWSA-N 0 0 212.318 2.114 50 0 BEAARN CC[C@@H](C)C(=O)Nc1cc(C)nn1CC ZINC000032647800 170682608 /nfs/dbraw/zinc/68/26/08/170682608.db2.gz MLFBEORSZIVNRZ-MRVPVSSYSA-N 0 0 209.293 2.196 50 0 BEAARN CC[C@@H]1CCN1C(=O)c1ccc(O)cc1F ZINC000293910294 171020992 /nfs/dbraw/zinc/02/09/92/171020992.db2.gz GILKYXHHLNJKKX-MRVPVSSYSA-N 0 0 223.247 2.156 50 0 BEAARN CC[C@@H]1CCN1C(=O)c1cc(F)ccc1O ZINC000294034123 171021443 /nfs/dbraw/zinc/02/14/43/171021443.db2.gz ODPPSAQNVXUHAD-SECBINFHSA-N 0 0 223.247 2.156 50 0 BEAARN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C)CC1 ZINC000252523231 171030822 /nfs/dbraw/zinc/03/08/22/171030822.db2.gz CDBVQSYKHWIQOT-FDYHWXHSSA-N 0 0 239.359 2.496 50 0 BEAARN CC[C@@H]1c2ccsc2CCN1C(=O)COC ZINC000032781331 171162668 /nfs/dbraw/zinc/16/26/68/171162668.db2.gz UMDSHPPGSXCPRG-SNVBAGLBSA-N 0 0 239.340 2.230 50 0 BEAARN CC[C@H](C(=O)NCCCOC)c1ccccc1 ZINC000005663460 171228174 /nfs/dbraw/zinc/22/81/74/171228174.db2.gz HRHHZHKPIAXBNU-ZDUSSCGKSA-N 0 0 235.327 2.333 50 0 BEAARN CC[C@H](C)C(=O)N(C)CCc1scnc1C ZINC000216504274 171246626 /nfs/dbraw/zinc/24/66/26/171246626.db2.gz ZAYJNLTYXMUHRP-VIFPVBQESA-N 0 0 240.372 2.499 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc2c(c1)c(=O)[nH]n2C ZINC000227164877 171255363 /nfs/dbraw/zinc/25/53/63/171255363.db2.gz INJLRXDVIMLDKL-QMMMGPOBSA-N 0 0 247.298 2.264 50 0 BEAARN CC[C@H](C)C(=O)O[C@H]1CCCC[C@@H]1C(=O)OC ZINC000095456193 171256817 /nfs/dbraw/zinc/25/68/17/171256817.db2.gz YVMWODHBBXEVIM-DCAQKATOSA-N 0 0 242.315 2.308 50 0 BEAARN CC[C@H](C)N(C(=O)c1ccnn1C)[C@@H](C)CC ZINC000002781807 171301153 /nfs/dbraw/zinc/30/11/53/171301153.db2.gz YLOKKMBWEWNVMM-QWRGUYRKSA-N 0 0 237.347 2.459 50 0 BEAARN CC[C@H](C)N(C)c1cc(C)nc(COC)n1 ZINC000095411583 171309440 /nfs/dbraw/zinc/30/94/40/171309440.db2.gz ITVPVGHXORIGKM-JTQLQIEISA-N 0 0 223.320 2.166 50 0 BEAARN CC[C@H](C)NC(=O)CCc1cn(CC)nc1C ZINC000028576860 171323775 /nfs/dbraw/zinc/32/37/75/171323775.db2.gz BZMTZOHCOUSXBP-JTQLQIEISA-N 0 0 237.347 2.059 50 0 BEAARN CC[C@H](C)NC(=O)CSc1nc(C)cs1 ZINC000009450648 171327154 /nfs/dbraw/zinc/32/71/54/171327154.db2.gz QTFWYBUEESSNIS-ZETCQYMHSA-N 0 0 244.385 2.458 50 0 BEAARN CC[C@H](C)NC(=O)Nc1ccc(OC)nc1 ZINC000048019291 171331669 /nfs/dbraw/zinc/33/16/69/171331669.db2.gz ZSEVGHZUQFXQSF-QMMMGPOBSA-N 0 0 223.276 2.010 50 0 BEAARN CC[C@H](C)NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000000218092 171335645 /nfs/dbraw/zinc/33/56/45/171335645.db2.gz KZLUGLBSRLDCHB-ONGXEEELSA-N 0 0 246.310 2.027 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000045819180 171336038 /nfs/dbraw/zinc/33/60/38/171336038.db2.gz VYIOLFVCUBREFM-VIFPVBQESA-N 0 0 244.294 2.056 50 0 BEAARN CC[C@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000012978797 171336418 /nfs/dbraw/zinc/33/64/18/171336418.db2.gz VMXFEYGUMZFKSB-VIFPVBQESA-N 0 0 244.294 2.056 50 0 BEAARN CC[C@H](C)NC(=O)c1cc(CC(C)C)on1 ZINC000002498098 171336773 /nfs/dbraw/zinc/33/67/73/171336773.db2.gz BPYWNQNAKLNGQV-VIFPVBQESA-N 0 0 224.304 2.401 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc2[nH]cnc2c1 ZINC000012544451 171337661 /nfs/dbraw/zinc/33/76/61/171337661.db2.gz AATFLHCALQSJFA-QMMMGPOBSA-N 0 0 217.272 2.091 50 0 BEAARN CC[C@H](C)NC(=O)c1cccc(NC(C)=O)c1 ZINC000012138681 171337725 /nfs/dbraw/zinc/33/77/25/171337725.db2.gz VBELLPDCLOCCBO-VIFPVBQESA-N 0 0 234.299 2.173 50 0 BEAARN CC[C@H](CO)Nc1ccnc(-c2ccccc2)n1 ZINC000069844486 171455052 /nfs/dbraw/zinc/45/50/52/171455052.db2.gz UGJYHQLXUJDRLA-GFCCVEGCSA-N 0 0 243.310 2.326 50 0 BEAARN CC[C@H](COC)Nc1c[nH]nc1-c1ccccn1 ZINC000097101645 171463341 /nfs/dbraw/zinc/46/33/41/171463341.db2.gz ANYXAJMVUCMXQA-SNVBAGLBSA-N 0 0 246.314 2.309 50 0 BEAARN CC[C@H](NC(=O)c1occc1C)c1ccnn1C ZINC000067869373 171513728 /nfs/dbraw/zinc/51/37/28/171513728.db2.gz SXUQWWSLZAEVHK-JTQLQIEISA-N 0 0 247.298 2.203 50 0 BEAARN CC[C@H](O)Cc1nc(N2CCCC2)nc(C)c1C ZINC000091665800 171579856 /nfs/dbraw/zinc/57/98/56/171579856.db2.gz CHLBROOMKJOPAS-LBPRGKRZSA-N 0 0 249.358 2.007 50 0 BEAARN CC[C@H]1CCCCN1C(=O)/C=C\c1cnn(C)c1 ZINC000096400576 171605007 /nfs/dbraw/zinc/60/50/07/171605007.db2.gz UEBGSNFRRBULCL-WSROAFLRSA-N 0 0 247.342 2.224 50 0 BEAARN CC[C@H]1CCCCN1C(=O)c1cc(C)no1 ZINC000006738060 171605544 /nfs/dbraw/zinc/60/55/44/171605544.db2.gz ATWGAIQIIIRTOU-JTQLQIEISA-N 0 0 222.288 2.388 50 0 BEAARN CC[C@](CNC(=O)C1CC1)(OC)c1ccccc1 ZINC000096123677 171709830 /nfs/dbraw/zinc/70/98/30/171709830.db2.gz MGVPUMZNSIERGT-OAHLLOKOSA-N 0 0 247.338 2.465 50 0 BEAARN CCc1cc(=O)[nH]c(-c2ccc(Cl)nc2)n1 ZINC000057218631 171748673 /nfs/dbraw/zinc/74/86/73/171748673.db2.gz KJWIEZHLQZFWCS-UHFFFAOYSA-N 0 0 235.674 2.048 50 0 BEAARN CCc1cc(C(=O)Nc2cccc(O)c2)no1 ZINC000021775672 171755709 /nfs/dbraw/zinc/75/57/09/171755709.db2.gz QKPXQIVRYJFBMS-UHFFFAOYSA-N 0 0 232.239 2.195 50 0 BEAARN CCc1cc(NCc2ncnn2C)ccc1F ZINC000253417610 171767898 /nfs/dbraw/zinc/76/78/98/171767898.db2.gz CEIFBHUAWYKNAA-UHFFFAOYSA-N 0 0 234.278 2.129 50 0 BEAARN CCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000012983158 171784792 /nfs/dbraw/zinc/78/47/92/171784792.db2.gz FBJQWZOURYYIFT-VXGBXAGGSA-N 0 0 247.338 2.498 50 0 BEAARN CCc1ccc(C(=O)NC[C@H]2CCCO2)s1 ZINC000013331163 171786056 /nfs/dbraw/zinc/78/60/56/171786056.db2.gz WRSGJEJLDKBWHA-SECBINFHSA-N 0 0 239.340 2.219 50 0 BEAARN CCc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000001480352 171820307 /nfs/dbraw/zinc/82/03/07/171820307.db2.gz PQOQDDZZSPWZQT-GFCCVEGCSA-N 0 0 219.284 2.367 50 0 BEAARN CCc1ccc([C@@H](C)NS(=O)(=O)CC)cc1 ZINC000014219154 171831450 /nfs/dbraw/zinc/83/14/50/171831450.db2.gz FZEFHXGTSQXXHV-SNVBAGLBSA-N 0 0 241.356 2.249 50 0 BEAARN CCc1ccc([C@H](C)NS(=O)(=O)CC)cc1 ZINC000014219156 171840000 /nfs/dbraw/zinc/84/00/00/171840000.db2.gz FZEFHXGTSQXXHV-JTQLQIEISA-N 0 0 241.356 2.249 50 0 BEAARN CCc1nc2nccc(-c3ccsc3)n2n1 ZINC000067320735 172014788 /nfs/dbraw/zinc/01/47/88/172014788.db2.gz BRQFOLYRMWGLGJ-UHFFFAOYSA-N 0 0 230.296 2.415 50 0 BEAARN CCc1ncnc(Oc2cccnc2)c1F ZINC000301947932 172033906 /nfs/dbraw/zinc/03/39/06/172033906.db2.gz YJMVXVQLQVRTMN-UHFFFAOYSA-N 0 0 219.219 2.365 50 0 BEAARN CCc1nnc(NC(=O)c2ccc(C)nc2)s1 ZINC000013011455 172059202 /nfs/dbraw/zinc/05/92/02/172059202.db2.gz BFUMHQQPONXIJF-UHFFFAOYSA-N 0 0 248.311 2.056 50 0 BEAARN CCC1N=NC(=S)N1c1ccc(F)cc1F ZINC000006395566 172062877 /nfs/dbraw/zinc/06/28/77/172062877.db2.gz CNJHAMGYJKTNDD-UHFFFAOYSA-N 0 0 241.266 2.397 50 0 BEAARN CCc1noc(C)c1C(=O)NC(CC)CC ZINC000016606056 172073453 /nfs/dbraw/zinc/07/34/53/172073453.db2.gz DGQLDVNGSHZCGF-UHFFFAOYSA-N 0 0 224.304 2.464 50 0 BEAARN CCc1noc(CN(C)C2CCCC2)n1 ZINC000058283256 172083299 /nfs/dbraw/zinc/08/32/99/172083299.db2.gz LCMXHVIDUKITRM-UHFFFAOYSA-N 0 0 209.293 2.006 50 0 BEAARN CCc1noc(CS[C@@H]2CCO[C@@H]2C)n1 ZINC000095974157 172084994 /nfs/dbraw/zinc/08/49/94/172084994.db2.gz QVMDBWSPKSHBER-HTQZYQBOSA-N 0 0 228.317 2.043 50 0 BEAARN CCc1noc(C[S@@](=O)CC2CCCC2)n1 ZINC000097033786 172085264 /nfs/dbraw/zinc/08/52/64/172085264.db2.gz VGKIUPZHPFLFRM-MRXNPFEDSA-N 0 0 242.344 2.071 50 0 BEAARN CCn1c(=S)[nH]nc1-c1ccc2c(c1)OCO2 ZINC000006520008 172130477 /nfs/dbraw/zinc/13/04/77/172130477.db2.gz KZMHWIQZJUXNDA-UHFFFAOYSA-N 0 0 249.295 2.356 50 0 BEAARN CCn1c2ccccc2nc1-n1nc(C)cc1N ZINC000004864865 172130514 /nfs/dbraw/zinc/13/05/14/172130514.db2.gz KHZKCPJPKSRVGM-UHFFFAOYSA-N 0 0 241.298 2.133 50 0 BEAARN CCn1c(=N)sc2cc(NC(C)=O)ccc21 ZINC000225393871 172130842 /nfs/dbraw/zinc/13/08/42/172130842.db2.gz UKSMDJKDVHNFTJ-UHFFFAOYSA-N 0 0 235.312 2.161 50 0 BEAARN CCN1C(=S)N=NC1COc1ccc(C)cc1 ZINC000005686868 172147407 /nfs/dbraw/zinc/14/74/07/172147407.db2.gz GNAJXKMTYGQCMD-UHFFFAOYSA-N 0 0 249.339 2.474 50 0 BEAARN CCn1cc(-c2n[nH]cc2Br)cn1 ZINC000008782686 172148319 /nfs/dbraw/zinc/14/83/19/172148319.db2.gz XLJWJFWTVOPWPM-UHFFFAOYSA-N 0 0 241.092 2.056 50 0 BEAARN CCn1cc(C(=O)c2ccccc2)c(C)n1 ZINC000026545754 172159037 /nfs/dbraw/zinc/15/90/37/172159037.db2.gz UVPBZHUSJZYLJQ-UHFFFAOYSA-N 0 0 214.268 2.442 50 0 BEAARN CCn1cc(CNC(=O)C2CCCC2)c(C)n1 ZINC000002764684 172167848 /nfs/dbraw/zinc/16/78/48/172167848.db2.gz UJNBKIVDQDOPGJ-UHFFFAOYSA-N 0 0 235.331 2.018 50 0 BEAARN CCn1cc(CNc2ccc(CCO)cc2)cn1 ZINC000083843581 172175186 /nfs/dbraw/zinc/17/51/86/172175186.db2.gz JIMAULRFNPZTFN-UHFFFAOYSA-N 0 0 245.326 2.050 50 0 BEAARN CCn1cc(NC(=O)C2CCCCC2)cn1 ZINC000065535452 172180050 /nfs/dbraw/zinc/18/00/50/172180050.db2.gz MSTPUFAERVXERC-UHFFFAOYSA-N 0 0 221.304 2.422 50 0 BEAARN CCn1cc(OCc2nc(C)c(C)o2)cn1 ZINC000184752074 172191208 /nfs/dbraw/zinc/19/12/08/172191208.db2.gz WOJSCTQTTGDEKO-UHFFFAOYSA-N 0 0 221.260 2.087 50 0 BEAARN CCn1ccc(=O)c2cc(OC)ccc21 ZINC000000263377 172200076 /nfs/dbraw/zinc/20/00/76/172200076.db2.gz JUCHVYLQQAMQNT-UHFFFAOYSA-N 0 0 203.241 2.030 50 0 BEAARN CCn1ccnc1[C@H](O)c1ccc(N(C)C)cc1 ZINC000000237719 172230450 /nfs/dbraw/zinc/23/04/50/172230450.db2.gz UKIFMJRUEMXRCC-CYBMUJFWSA-N 0 0 245.326 2.051 50 0 BEAARN CCn1cnc2cc(Br)cnc21 ZINC000038537010 172231459 /nfs/dbraw/zinc/23/14/59/172231459.db2.gz QHFMKLXEVDGSFU-UHFFFAOYSA-N 0 0 226.077 2.214 50 0 BEAARN CCn1nc(C)c(Br)c1C ZINC000019093372 172242113 /nfs/dbraw/zinc/24/21/13/172242113.db2.gz JBIXDYBXWDTDLA-UHFFFAOYSA-N 0 0 203.083 2.282 50 0 BEAARN CCn1nc(C)c(C(=O)OCCSC)c1C ZINC000095405048 172246140 /nfs/dbraw/zinc/24/61/40/172246140.db2.gz DNRHXCNSROJYQZ-UHFFFAOYSA-N 0 0 242.344 2.040 50 0 BEAARN CCn1nc(C)c(NC(=O)c2ccncc2)c1C ZINC000002767603 172248300 /nfs/dbraw/zinc/24/83/00/172248300.db2.gz UBLPGEAJKWBARV-UHFFFAOYSA-N 0 0 244.298 2.167 50 0 BEAARN CCn1nc(C)c(N[C@H]2CCO[C@H]2C)c1C ZINC000134510753 172248358 /nfs/dbraw/zinc/24/83/58/172248358.db2.gz YTOVUHDFMVESEQ-QWRGUYRKSA-N 0 0 223.320 2.109 50 0 BEAARN CCn1nccc1C=C1SC(=S)NC1=O ZINC000002797888 172258457 /nfs/dbraw/zinc/25/84/57/172258457.db2.gz DOXVWWZLKZDRFE-FNORWQNLSA-N 0 0 239.325 2.232 50 0 BEAARN CCn1nccc1CN(C)C(=O)c1ccoc1C ZINC000028219038 172263425 /nfs/dbraw/zinc/26/34/25/172263425.db2.gz QUTDIKDNBHRDPC-UHFFFAOYSA-N 0 0 247.298 2.077 50 0 BEAARN CCn1nccc1CNc1nnc(C(C)(C)C)o1 ZINC000097114467 172274736 /nfs/dbraw/zinc/27/47/36/172274736.db2.gz ZWBQSXWVYCMNNC-UHFFFAOYSA-N 0 0 249.318 2.196 50 0 BEAARN CCn1nnc2cc(Br)c(F)cc21 ZINC000085477009 172287826 /nfs/dbraw/zinc/28/78/26/172287826.db2.gz GUHUOBOWMKHRIR-UHFFFAOYSA-N 0 0 244.067 2.353 50 0 BEAARN CN(C(=O)NCc1cccc(F)c1)C1CC1 ZINC000114922040 172322367 /nfs/dbraw/zinc/32/23/67/172322367.db2.gz LWKFUSUSCFHXDG-UHFFFAOYSA-N 0 0 222.263 2.130 50 0 BEAARN CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](O)CC1 ZINC000103541015 172325223 /nfs/dbraw/zinc/32/52/23/172325223.db2.gz UJHKURDWYJBHPD-MGCOHNPYSA-N 0 0 229.320 2.157 50 0 BEAARN CN(C(=O)[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000032905636 172333759 /nfs/dbraw/zinc/33/37/59/172333759.db2.gz VGTZOVPZYUVKOL-ZIAGYGMSSA-N 0 0 245.322 2.311 50 0 BEAARN CN(C(=O)c1ccc[nH]c1=O)C1CCCCCC1 ZINC000069351279 172341452 /nfs/dbraw/zinc/34/14/52/172341452.db2.gz NQHODFNIILXAMR-UHFFFAOYSA-N 0 0 248.326 2.170 50 0 BEAARN CN(C(=O)c1cccc(N)c1)c1ccc(O)cc1 ZINC000066442626 172342225 /nfs/dbraw/zinc/34/22/25/172342225.db2.gz GWCMSOCYBZTNOP-UHFFFAOYSA-N 0 0 242.278 2.251 50 0 BEAARN CN(C)/C=C1/C(=O)Nc2cc(Cl)ccc21 ZINC000073048705 172350493 /nfs/dbraw/zinc/35/04/93/172350493.db2.gz YJDOALCKVFVBTA-RMKNXTFCSA-N 0 0 222.675 2.195 50 0 BEAARN CN(C)C(=O)Cc1c(F)cccc1Cl ZINC000047651518 172375274 /nfs/dbraw/zinc/37/52/74/172375274.db2.gz QEYLGHSMLVEDOI-UHFFFAOYSA-N 0 0 215.655 2.110 50 0 BEAARN CN(C)C(=O)Cc1ccc(Br)cc1 ZINC000008203404 172375489 /nfs/dbraw/zinc/37/54/89/172375489.db2.gz CNGVHZAORFMGBW-UHFFFAOYSA-N 0 0 242.116 2.080 50 0 BEAARN CN(C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000002002600 172382404 /nfs/dbraw/zinc/38/24/04/172382404.db2.gz JLLJHQLUZAKJFH-UHFFFAOYSA-N 0 0 211.265 2.066 50 0 in-vitro BEAARN CN(C)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012535414 172387706 /nfs/dbraw/zinc/38/77/06/172387706.db2.gz UFCYACQPYURKPT-UHFFFAOYSA-N 0 0 249.701 2.432 50 0 BEAARN CN(C)C(=O)c1cc2ccccc2cc1O ZINC000000835771 172388359 /nfs/dbraw/zinc/38/83/59/172388359.db2.gz ATDRZFNPPHNGJX-UHFFFAOYSA-N 0 0 215.252 2.247 50 0 BEAARN CN(C)C(=O)c1ccc(Br)cc1F ZINC000016158999 172388606 /nfs/dbraw/zinc/38/86/06/172388606.db2.gz MKVVUOADKLZUTE-UHFFFAOYSA-N 0 0 246.079 2.290 50 0 BEAARN CN(C)C(=O)c1csc(-c2ccoc2)n1 ZINC000089312157 172391944 /nfs/dbraw/zinc/39/19/44/172391944.db2.gz GHHIQGPTYSSNPF-UHFFFAOYSA-N 0 0 222.269 2.105 50 0 BEAARN CN(C)C(=O)c1ncoc1-c1ccccc1 ZINC000112041750 172393168 /nfs/dbraw/zinc/39/31/68/172393168.db2.gz CXEOAGRHFXYLHY-UHFFFAOYSA-N 0 0 216.240 2.043 50 0 BEAARN CN(C)C(=S)Nc1ccc(N(C)C)cc1 ZINC000004868758 172393486 /nfs/dbraw/zinc/39/34/86/172393486.db2.gz LPULUKOUZODCOQ-UHFFFAOYSA-N 0 0 223.345 2.011 50 0 BEAARN C[NH+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000016873052 172531726 /nfs/dbraw/zinc/53/17/26/172531726.db2.gz RQFSLMYOSSZFQY-VIFPVBQESA-N 0 0 213.664 2.027 50 0 biogenic BEAARN CN(C)c1ccc(C(=O)NC2CCCCC2)cn1 ZINC000032815616 172550539 /nfs/dbraw/zinc/55/05/39/172550539.db2.gz MDDHCEXRYJPDMH-UHFFFAOYSA-N 0 0 247.342 2.210 50 0 BEAARN CN(C)c1ccc(CNC(=O)CC(C)(C)C)cn1 ZINC000040510871 172553514 /nfs/dbraw/zinc/55/35/14/172553514.db2.gz DVRHRJLVDAOACQ-UHFFFAOYSA-N 0 0 249.358 2.200 50 0 BEAARN CN(CC[C@H]1CCCCO1)C(=O)c1cccnc1 ZINC000062193148 172779268 /nfs/dbraw/zinc/77/92/68/172779268.db2.gz HSGKHARKIUERQI-CYBMUJFWSA-N 0 0 248.326 2.113 50 0 BEAARN CN(C[C@H]1CCOC1)c1cnc2ccccc2n1 ZINC000079017279 172834559 /nfs/dbraw/zinc/83/45/59/172834559.db2.gz LFWRFYAVLYVUGN-LLVKDONJSA-N 0 0 243.310 2.103 50 0 BEAARN CN(N)Cc1ccc(Cl)cc1Cl ZINC000044125041 172940629 /nfs/dbraw/zinc/94/06/29/172940629.db2.gz CMEXEWFRWZMJDJ-UHFFFAOYSA-N 0 0 205.088 2.299 50 0 BEAARN CN(N)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000008730216 172940971 /nfs/dbraw/zinc/94/09/71/172940971.db2.gz YRZVWQQNLJYJJI-UHFFFAOYSA-N 0 0 249.261 2.208 50 0 BEAARN CN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000001186641 172971174 /nfs/dbraw/zinc/97/11/74/172971174.db2.gz TYGBGDSUOHICLC-TWGQIWQCSA-N 0 0 237.255 2.492 50 0 BEAARN CN1CCN(C(=O)C2CCC2)c2ccccc2C1 ZINC000098009449 173063407 /nfs/dbraw/zinc/06/34/07/173063407.db2.gz DPSXHYSCZZMEKG-UHFFFAOYSA-N 0 0 244.338 2.265 50 0 BEAARN CN1CC[C@H](SCCc2ccccc2)C1=O ZINC000095431612 173156335 /nfs/dbraw/zinc/15/63/35/173156335.db2.gz QXNBQLSURQZRNU-LBPRGKRZSA-N 0 0 235.352 2.193 50 0 BEAARN CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000019929686 173166688 /nfs/dbraw/zinc/16/66/88/173166688.db2.gz PXCCYWKGOYWGFS-UHFFFAOYSA-N 0 0 204.248 2.295 50 0 BEAARN CNC(=O)Cc1ccc(-c2ccncc2)cc1 ZINC000032558280 173283726 /nfs/dbraw/zinc/28/37/26/173283726.db2.gz KCVNWKKJIFDTLA-UHFFFAOYSA-N 0 0 226.279 2.037 50 0 BEAARN CNC(=O)Cc1c(Cl)cccc1Cl ZINC000005171871 173283774 /nfs/dbraw/zinc/28/37/74/173283774.db2.gz FCYHXJCZFCNCRE-UHFFFAOYSA-N 0 0 218.083 2.282 50 0 BEAARN CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000048645224 173284977 /nfs/dbraw/zinc/28/49/77/173284977.db2.gz DMSYDHDVMPURTN-NSHDSACASA-N 0 0 244.298 2.039 50 0 BEAARN CNC(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000080633057 173291053 /nfs/dbraw/zinc/29/10/53/173291053.db2.gz MXOGPNHKTBIASV-QMMMGPOBSA-N 0 0 242.706 2.036 50 0 BEAARN CNC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000000712157 173293258 /nfs/dbraw/zinc/29/32/58/173293258.db2.gz FBYMWYBOTQNVPE-UHFFFAOYSA-N 0 0 237.284 2.056 50 0 BEAARN CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1 ZINC000002040842 173293469 /nfs/dbraw/zinc/29/34/69/173293469.db2.gz YNEVBPNZHBAYOA-UHFFFAOYSA-N 0 0 222.288 2.088 50 0 in-vitro BEAARN CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004868483 173304511 /nfs/dbraw/zinc/30/45/11/173304511.db2.gz WEVZXORDKPCNQA-QMMMGPOBSA-N 0 0 227.691 2.162 50 0 BEAARN CNC(=O)c1cc(-c2ccc(F)cc2)n(C)c1C ZINC000064551463 173309154 /nfs/dbraw/zinc/30/91/54/173309154.db2.gz RDGKUFGUMYUGDV-UHFFFAOYSA-N 0 0 246.285 2.499 50 0 BEAARN CNC(=O)c1c2c(nc3ccc(F)cc31)CCC2 ZINC000064553366 173309184 /nfs/dbraw/zinc/30/91/84/173309184.db2.gz KZGBBFIUJOZIDO-UHFFFAOYSA-N 0 0 244.269 2.222 50 0 BEAARN CNC(=O)c1cc2cccc3c2n1C[C@H](C)S3 ZINC000064551725 173310071 /nfs/dbraw/zinc/31/00/71/173310071.db2.gz RTBZZYJEXVGILZ-QMMMGPOBSA-N 0 0 246.335 2.495 50 0 BEAARN CNC(=O)c1ccc(-c2ccnc3[nH]ccc32)o1 ZINC000072169109 173310082 /nfs/dbraw/zinc/31/00/82/173310082.db2.gz SIDPKZOSIOGHDZ-UHFFFAOYSA-N 0 0 241.250 2.183 50 0 BEAARN CNC(=O)c1cc2cccc3c2n1CCS3 ZINC000064551718 173310145 /nfs/dbraw/zinc/31/01/45/173310145.db2.gz PVVVFCQTYHXBRR-UHFFFAOYSA-N 0 0 232.308 2.107 50 0 BEAARN CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000032999438 173311341 /nfs/dbraw/zinc/31/13/41/173311341.db2.gz KTTKIYDKEYYXEB-UHFFFAOYSA-N 0 0 228.295 2.406 50 0 BEAARN CNC(=O)c1cccc(-c2ccc(N)cc2)c1 ZINC000074937782 173311475 /nfs/dbraw/zinc/31/14/75/173311475.db2.gz FXYJOGOGMBDLHT-UHFFFAOYSA-N 0 0 226.279 2.295 50 0 BEAARN CNC(=O)c1csc(-c2ccccc2)n1 ZINC000001401174 173313955 /nfs/dbraw/zinc/31/39/55/173313955.db2.gz HXNRBYFXPRNIER-UHFFFAOYSA-N 0 0 218.281 2.170 50 0 BEAARN CNC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765556 173313969 /nfs/dbraw/zinc/31/39/69/173313969.db2.gz HLCSPWZMNHOFKT-UHFFFAOYSA-N 0 0 241.294 2.109 50 0 BEAARN CNC(NC(=O)c1ccccc1)=C(Cl)Cl ZINC000000083888 173321059 /nfs/dbraw/zinc/32/10/59/173321059.db2.gz MFEJJAUUVUXDRS-UHFFFAOYSA-N 0 0 245.109 2.240 50 0 BEAARN CO/C=C/[C@@H]1CC(c2ccccc2)=NO1 ZINC000006997454 173491866 /nfs/dbraw/zinc/49/18/66/173491866.db2.gz XYUGEABQUNDXGM-WSKFYRRCSA-N 0 0 203.241 2.340 50 0 BEAARN COC(=O)CCCCCNC(=O)OC(C)(C)C ZINC000034353819 173530124 /nfs/dbraw/zinc/53/01/24/173530124.db2.gz GJAKZXZWJMIYTC-UHFFFAOYSA-N 0 0 245.319 2.245 50 0 BEAARN COC(=O)CCCCCCCC(=O)OC ZINC000001689486 173530564 /nfs/dbraw/zinc/53/05/64/173530564.db2.gz DRUKNYVQGHETPO-UHFFFAOYSA-N 0 0 216.277 2.063 50 0 biogenic,in-vitro BEAARN COC(=O)CCCNC(=O)CCC1CCCC1 ZINC000042369953 173540649 /nfs/dbraw/zinc/54/06/49/173540649.db2.gz VELJCOVCRCRSBN-UHFFFAOYSA-N 0 0 241.331 2.026 50 0 BEAARN COC(=O)C[C@@H](C)SCc1cc(C)no1 ZINC000078813010 173624065 /nfs/dbraw/zinc/62/40/65/173624065.db2.gz YGRNAVYTIKXLOM-MRVPVSSYSA-N 0 0 229.301 2.168 50 0 BEAARN COC(=O)C[C@H]1CCc2cc(OC)ccc2C1=O ZINC000034192183 173636690 /nfs/dbraw/zinc/63/66/90/173636690.db2.gz MTMJCLLEFXNRIV-SNVBAGLBSA-N 0 0 248.278 2.003 50 0 BEAARN COC(=O)Cc1ccc(Br)s1 ZINC000057524816 173641205 /nfs/dbraw/zinc/64/12/05/173641205.db2.gz KEYPHZZYKZVXLU-UHFFFAOYSA-N 0 0 235.102 2.226 50 0 BEAARN COC(=O)Nc1ccc(Br)cn1 ZINC000000291385 173662929 /nfs/dbraw/zinc/66/29/29/173662929.db2.gz XYBRWUNZRUBCGY-UHFFFAOYSA-N 0 0 231.049 2.022 50 0 BEAARN COC(=O)[C@@H](NCc1ccc(C)o1)C(C)(C)C ZINC000097162278 173712156 /nfs/dbraw/zinc/71/21/56/173712156.db2.gz HLKYVSSAGAORPD-LLVKDONJSA-N 0 0 239.315 2.265 50 0 BEAARN COC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000071790765 173838148 /nfs/dbraw/zinc/83/81/48/173838148.db2.gz XOYPOULSHGDOMD-CYBMUJFWSA-N 0 0 204.269 2.355 50 0 BEAARN COC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000012394951 173854086 /nfs/dbraw/zinc/85/40/86/173854086.db2.gz HGMVGQHECMRUGZ-UHFFFAOYSA-N 0 0 232.239 2.195 50 0 BEAARN COC(=O)c1ccc(C(C)=O)c(Cl)c1 ZINC000095933588 173871126 /nfs/dbraw/zinc/87/11/26/173871126.db2.gz WMNKSBMREWKDFV-UHFFFAOYSA-N 0 0 212.632 2.329 50 0 BEAARN COC(=O)c1ccc(NC(=O)C=C(C)C)s1 ZINC000022897816 173882841 /nfs/dbraw/zinc/88/28/41/173882841.db2.gz OQAXAOKBMVCFRT-UHFFFAOYSA-N 0 0 239.296 2.439 50 0 BEAARN COC(=O)c1ccccc1NC(=O)N1CCCC1 ZINC000000612200 173899929 /nfs/dbraw/zinc/89/99/29/173899929.db2.gz IYXOSKPDLADODM-UHFFFAOYSA-N 0 0 248.282 2.101 50 0 BEAARN COC(=O)c1nc2[nH]ccc2cc1Cl ZINC000066054426 173916404 /nfs/dbraw/zinc/91/64/04/173916404.db2.gz HQNDHSJKQGJUKN-UHFFFAOYSA-N 0 0 210.620 2.003 50 0 BEAARN COC1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000044451327 174026274 /nfs/dbraw/zinc/02/62/74/174026274.db2.gz SAYCDLGYLLUQNP-UHFFFAOYSA-N 0 0 237.299 2.147 50 0 BEAARN COCC(=O)N[C@H](C)Cc1ccc(Cl)cc1 ZINC000040107887 174055578 /nfs/dbraw/zinc/05/55/78/174055578.db2.gz AVTLPRITMAYAHC-SECBINFHSA-N 0 0 241.718 2.034 50 0 BEAARN COCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000042688794 174056543 /nfs/dbraw/zinc/05/65/43/174056543.db2.gz OERCAHLTVMGVMC-ZDUSSCGKSA-N 0 0 221.300 2.146 50 0 BEAARN COCC(=O)Nc1cc(Cl)ccc1C ZINC000000299342 174057650 /nfs/dbraw/zinc/05/76/50/174057650.db2.gz MIYXWHRORYMYTQ-UHFFFAOYSA-N 0 0 213.664 2.233 50 0 BEAARN COCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000022260852 174057892 /nfs/dbraw/zinc/05/78/92/174057892.db2.gz MKYLWZHDCSIBMI-UHFFFAOYSA-N 0 0 248.307 2.395 50 0 BEAARN COCC(=O)Nc1cccc(C(C)C)c1 ZINC000040459854 174059689 /nfs/dbraw/zinc/05/96/89/174059689.db2.gz UJSHHPLQKFFIMZ-UHFFFAOYSA-N 0 0 207.273 2.395 50 0 BEAARN COCC(=O)Nc1cccc(-c2ccncc2)c1 ZINC000032561709 174060087 /nfs/dbraw/zinc/06/00/87/174060087.db2.gz HITPDKVKEQHRPF-UHFFFAOYSA-N 0 0 242.278 2.334 50 0 BEAARN COCC(=O)Nc1nc2c(cccc2C)s1 ZINC000000013093 174061006 /nfs/dbraw/zinc/06/10/06/174061006.db2.gz DMHDNGPTAPOXIB-UHFFFAOYSA-N 0 0 236.296 2.190 50 0 BEAARN COCC(=O)Nc1ncc(-c2ccccc2)s1 ZINC000040087534 174061325 /nfs/dbraw/zinc/06/13/25/174061325.db2.gz SRMWYAYUYJLOQT-UHFFFAOYSA-N 0 0 248.307 2.395 50 0 BEAARN COCC(=O)c1[nH]c2ccccc2c1C ZINC000000265982 174062818 /nfs/dbraw/zinc/06/28/18/174062818.db2.gz SQAVRXHTSRPTBG-UHFFFAOYSA-N 0 0 203.241 2.305 50 0 BEAARN COCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000097653964 174067252 /nfs/dbraw/zinc/06/72/52/174067252.db2.gz QQMHPHMVCUJGLS-QWHCGFSZSA-N 0 0 247.338 2.331 50 0 BEAARN COCC1(C(=O)N[C@H](C)c2ccco2)CCC1 ZINC000065452086 174089591 /nfs/dbraw/zinc/08/95/91/174089591.db2.gz XPPLVPYPSUNZRA-SNVBAGLBSA-N 0 0 237.299 2.274 50 0 BEAARN COCCCNC(=S)Nc1cccc(C)c1 ZINC000002995001 174246033 /nfs/dbraw/zinc/24/60/33/174246033.db2.gz NHTNRTNWKCWNRS-UHFFFAOYSA-N 0 0 238.356 2.318 50 0 BEAARN COCCCNC(=S)Nc1ccccc1F ZINC000003002708 174246423 /nfs/dbraw/zinc/24/64/23/174246423.db2.gz QMLQOUFXJJLDHX-UHFFFAOYSA-N 0 0 242.319 2.149 50 0 BEAARN COCCCNc1nc(C)c(C(C)=O)s1 ZINC000012394860 174251868 /nfs/dbraw/zinc/25/18/68/174251868.db2.gz SYRNPVKZQYRIQX-UHFFFAOYSA-N 0 0 228.317 2.103 50 0 BEAARN COCCCNc1cccc(Br)n1 ZINC000038537454 174252217 /nfs/dbraw/zinc/25/22/17/174252217.db2.gz UDZRXVMMKXMTRE-UHFFFAOYSA-N 0 0 245.120 2.293 50 0 BEAARN COCCCOc1ccc(Cl)cc1N ZINC000014629355 174256956 /nfs/dbraw/zinc/25/69/56/174256956.db2.gz PINRTDKGFKITJL-UHFFFAOYSA-N 0 0 215.680 2.338 50 0 BEAARN COCCCSC[C@H]1CCCCO1 ZINC000170602133 174258935 /nfs/dbraw/zinc/25/89/35/174258935.db2.gz IACIFZZQRBNKRW-SNVBAGLBSA-N 0 0 204.335 2.325 50 0 BEAARN COCCC[C@H]1CCCC[N@@H+]1Cc1cnc[nH]1 ZINC000077319320 174264562 /nfs/dbraw/zinc/26/45/62/174264562.db2.gz JBZLJZXMCOCHSN-CYBMUJFWSA-N 0 0 237.347 2.191 50 0 BEAARN COCCN(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000071998188 174271499 /nfs/dbraw/zinc/27/14/99/174271499.db2.gz WEVCSVVJYYKSOZ-IJLUTSLNSA-N 0 0 242.363 2.099 50 0 BEAARN COCCN(CC(F)F)[C@H]1C=CCCC1 ZINC000066532612 174288861 /nfs/dbraw/zinc/28/88/61/174288861.db2.gz MMYCRMCHNPLFAA-JTQLQIEISA-N 0 0 219.275 2.309 50 0 BEAARN COCCN(Cc1ccco1)C(=O)c1ccoc1 ZINC000045417385 174300285 /nfs/dbraw/zinc/30/02/85/174300285.db2.gz RFPJSFRNHULUSA-UHFFFAOYSA-N 0 0 249.266 2.161 50 0 BEAARN COCCNC(=O)C[C@@H](C)C1CCCCC1 ZINC000065550952 174321597 /nfs/dbraw/zinc/32/15/97/174321597.db2.gz OJYSBOMJZZIINS-LLVKDONJSA-N 0 0 227.348 2.356 50 0 BEAARN COCCNC(=O)Cc1ccc2ccccc2c1 ZINC000012926522 174322564 /nfs/dbraw/zinc/32/25/64/174322564.db2.gz JFJOLXBDSXWXCZ-UHFFFAOYSA-N 0 0 243.306 2.145 50 0 BEAARN COCCNC(=O)Nc1ccc(C)cc1C ZINC000002170956 174326035 /nfs/dbraw/zinc/32/60/35/174326035.db2.gz INSFWUQIVSGGCP-UHFFFAOYSA-N 0 0 222.288 2.071 50 0 BEAARN COCCNC(=O)Nc1cccc(SC)c1 ZINC000013320125 174326142 /nfs/dbraw/zinc/32/61/42/174326142.db2.gz NGUQDTTYPPHNEC-UHFFFAOYSA-N 0 0 240.328 2.176 50 0 BEAARN COCCNC(=S)Nc1ccc(Cl)cc1 ZINC000002982274 174330138 /nfs/dbraw/zinc/33/01/38/174330138.db2.gz VUKHGHWXEFCIOW-UHFFFAOYSA-N 0 0 244.747 2.273 50 0 BEAARN COCCOC(=O)Nc1cccc(C)c1C ZINC000002172092 174343890 /nfs/dbraw/zinc/34/38/90/174343890.db2.gz ULDYONOUZHURJC-UHFFFAOYSA-N 0 0 223.272 2.498 50 0 BEAARN COCC[C@H](NC(=O)NC1(C)CCC1)C(C)C ZINC000095974509 174415970 /nfs/dbraw/zinc/41/59/70/174415970.db2.gz QZLFCAROMCFKAE-NSHDSACASA-N 0 0 242.363 2.289 50 0 BEAARN COC[C@@H](OC(=O)c1cncc(F)c1)C(C)C ZINC000097014683 174500710 /nfs/dbraw/zinc/50/07/10/174500710.db2.gz WBFWMOINZJLVTP-LLVKDONJSA-N 0 0 241.262 2.049 50 0 BEAARN COC[C@H](C)NC(=O)Nc1c[nH]c2ccccc12 ZINC000005299852 174544747 /nfs/dbraw/zinc/54/47/47/174544747.db2.gz GDINEBSEGYTQTL-VIFPVBQESA-N 0 0 247.298 2.324 50 0 BEAARN COCc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000012528507 174620504 /nfs/dbraw/zinc/62/05/04/174620504.db2.gz QQVOXQVJMIOADG-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN CON(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037975929 174659142 /nfs/dbraw/zinc/65/91/42/174659142.db2.gz YZINVISHQNRXPV-UHFFFAOYSA-N 0 0 235.070 2.022 50 0 BEAARN CON(C)C(=O)c1cccc(Br)c1 ZINC000002583948 174659382 /nfs/dbraw/zinc/65/93/82/174659382.db2.gz VPWARUVASBJSPY-UHFFFAOYSA-N 0 0 244.088 2.083 50 0 BEAARN CO[C@@H](C)C(=O)N[C@H](C)c1ccccc1F ZINC000055004672 174680084 /nfs/dbraw/zinc/68/00/84/174680084.db2.gz HRGPLBXYHZBXQI-BDAKNGLRSA-N 0 0 225.263 2.038 50 0 BEAARN CO[C@@H](C)c1nc(-c2cnn(C)c2)cs1 ZINC000089913604 174720139 /nfs/dbraw/zinc/72/01/39/174720139.db2.gz BKIYYZHOKOPFGZ-ZETCQYMHSA-N 0 0 223.301 2.251 50 0 BEAARN CO[C@H](C)C(=O)N[C@H](C)c1ccccc1F ZINC000055004670 174807091 /nfs/dbraw/zinc/80/70/91/174807091.db2.gz HRGPLBXYHZBXQI-RKDXNWHRSA-N 0 0 225.263 2.038 50 0 BEAARN CO[C@H]1C(C)=C(C)C(=O)N1CCC(C)C ZINC000023485021 174873420 /nfs/dbraw/zinc/87/34/20/174873420.db2.gz HTMDXERGRYQFHF-LBPRGKRZSA-N 0 0 211.305 2.184 50 0 BEAARN CO[C@H]1Oc2ccccc2N1C(=O)OC(C)C ZINC000044122788 174906464 /nfs/dbraw/zinc/90/64/64/174906464.db2.gz YKVJTKXKGCVKLH-LBPRGKRZSA-N 0 0 237.255 2.360 50 0 BEAARN CO[C@@H]1O[C@H](OC)[C@H]2CC[C@H]3CC[C@@H]1[C@H]32 ZINC000101140032 174906844 /nfs/dbraw/zinc/90/68/44/174906844.db2.gz AMOOOPHHDBJPLB-FPRGPCMUSA-N 0 0 212.289 2.014 50 0 BEAARN COc1c(C)cc(N)cc1Br ZINC000065336841 174923856 /nfs/dbraw/zinc/92/38/56/174923856.db2.gz HLQONICLKZVZRN-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN COc1c(Cl)cc(Cl)cc1C(N)=O ZINC000020136263 174930073 /nfs/dbraw/zinc/93/00/73/174930073.db2.gz KWZLAZUJRLIEFH-UHFFFAOYSA-N 0 0 220.055 2.101 50 0 BEAARN COc1cc(/C=C(\C)[N+](=O)[O-])ccc1O ZINC000016889891 174940090 /nfs/dbraw/zinc/94/00/90/174940090.db2.gz FDLWTEUMNRJFCS-FNORWQNLSA-N 0 0 209.201 2.038 50 0 BEAARN COc1cc(C)c(N)cc1Br ZINC000083428754 174959442 /nfs/dbraw/zinc/95/94/42/174959442.db2.gz KSSWHWHADJOWJF-UHFFFAOYSA-N 0 0 216.078 2.348 50 0 BEAARN COc1cc(C=O)ccc1OCC(F)F ZINC000037756013 174976413 /nfs/dbraw/zinc/97/64/13/174976413.db2.gz JDMUOHKJYFLCRV-UHFFFAOYSA-N 0 0 216.183 2.152 50 0 BEAARN COc1cc2c(cc1Cl)nc1n2CCOC1 ZINC000075284410 175022105 /nfs/dbraw/zinc/02/21/05/175022105.db2.gz YAEAIUWVJHGMAZ-UHFFFAOYSA-N 0 0 238.674 2.229 50 0 BEAARN COc1cc2nc(C)c(C)nc2cc1OC ZINC000002525553 175028401 /nfs/dbraw/zinc/02/84/01/175028401.db2.gz IZUXTDPRBHCJMZ-UHFFFAOYSA-N 0 0 218.256 2.264 50 0 BEAARN COc1cc2oc(=O)c3c(c2cc1O)CCCC3 ZINC000011865387 175029259 /nfs/dbraw/zinc/02/92/59/175029259.db2.gz HBGSSPMHBRVPST-UHFFFAOYSA-N 0 0 246.262 2.386 50 0 biogenic BEAARN COc1ccc(-c2cc(=O)[nH]c(=S)[nH]2)cc1 ZINC000009059073 175030018 /nfs/dbraw/zinc/03/00/18/175030018.db2.gz AATNPSPOECSJBO-UHFFFAOYSA-N 0 0 234.280 2.108 50 0 BEAARN COc1ccc(-c2cc(C(N)=O)ccc2C)cn1 ZINC000032498378 175031096 /nfs/dbraw/zinc/03/10/96/175031096.db2.gz KRSWAJHXEBDIKD-UHFFFAOYSA-N 0 0 242.278 2.165 50 0 BEAARN COc1ccc(-c2cccc(=O)o2)cc1 ZINC000000752022 175034245 /nfs/dbraw/zinc/03/42/45/175034245.db2.gz KXFKLCMMRXYWQZ-UHFFFAOYSA-N 0 0 202.209 2.315 50 0 BEAARN COc1ccc(-c2cn3cccnc3n2)cc1 ZINC000000073565 175035903 /nfs/dbraw/zinc/03/59/03/175035903.db2.gz MZWNMPVRUFGZKY-UHFFFAOYSA-N 0 0 225.251 2.405 50 0 BEAARN COc1ccc(-c2cnc(N)nc2C)cc1OC ZINC000001397203 175037003 /nfs/dbraw/zinc/03/70/03/175037003.db2.gz ZGBHNTAZSJHFHP-UHFFFAOYSA-N 0 0 245.282 2.051 50 0 BEAARN COc1ccc(-c2nc3ncccc3n2O)cc1 ZINC000001400186 175041092 /nfs/dbraw/zinc/04/10/92/175041092.db2.gz NBUJWRNZNAECII-UHFFFAOYSA-N 0 0 241.250 2.344 50 0 BEAARN COc1ccc(-c2nnc3sc(C)nn32)cc1 ZINC000008715065 175042792 /nfs/dbraw/zinc/04/27/92/175042792.db2.gz QSWOZYLXVPBVHT-UHFFFAOYSA-N 0 0 246.295 2.170 50 0 BEAARN COc1ccc(-c2noc([C@@H](N)C(C)C)n2)cc1 ZINC000019785564 175042895 /nfs/dbraw/zinc/04/28/95/175042895.db2.gz RZHLEXZWVUWVDL-NSHDSACASA-N 0 0 247.298 2.401 50 0 BEAARN COc1ccc(/C=C/C(=O)NCC(C)C)cc1 ZINC000001480355 175047015 /nfs/dbraw/zinc/04/70/15/175047015.db2.gz XAUDLZILKWLKET-RMKNXTFCSA-N 0 0 233.311 2.481 50 0 BEAARN COc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1 ZINC000001387470 175047295 /nfs/dbraw/zinc/04/72/95/175047295.db2.gz WEWIIGRQOVQDCT-ZZXKWVIFSA-N 0 0 244.294 2.317 50 0 BEAARN COc1ccc(C(=O)NC2CCCC2)cc1OC ZINC000000029921 175058315 /nfs/dbraw/zinc/05/83/15/175058315.db2.gz QHUQBROHXJRWGI-UHFFFAOYSA-N 0 0 249.310 2.376 50 0 BEAARN COc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000000075816 175058584 /nfs/dbraw/zinc/05/85/84/175058584.db2.gz JZHSACJKCPNPHW-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 biogenic BEAARN COc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000012998688 175058619 /nfs/dbraw/zinc/05/86/19/175058619.db2.gz WKPGNSWYBKMRGW-UHFFFAOYSA-N 0 0 249.310 2.463 50 0 BEAARN COc1ccc(C(=O)Nc2ccccn2)c(O)c1 ZINC000019837365 175063492 /nfs/dbraw/zinc/06/34/92/175063492.db2.gz WBXYPKPDECPPPA-UHFFFAOYSA-N 0 0 244.250 2.048 50 0 BEAARN COc1ccc(C(=O)Nc2ccccc2)cn1 ZINC000016202793 175064039 /nfs/dbraw/zinc/06/40/39/175064039.db2.gz IQDUIOSTZHIGFT-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccc(C(=O)OCC(F)F)c(OC)c1 ZINC000078442239 175065212 /nfs/dbraw/zinc/06/52/12/175065212.db2.gz FRCVKPOQRDMBDP-UHFFFAOYSA-N 0 0 246.209 2.126 50 0 BEAARN COc1ccc(C(=O)OCC[C@H](C)OC)cc1 ZINC000001768525 175065363 /nfs/dbraw/zinc/06/53/63/175065363.db2.gz XGIHCPWVDFMFIK-JTQLQIEISA-N 0 0 238.283 2.277 50 0 BEAARN COc1ccc(C(C)=O)cc1Cn1cccn1 ZINC000037315225 175068746 /nfs/dbraw/zinc/06/87/46/175068746.db2.gz HCJKTUBHEGVTAX-UHFFFAOYSA-N 0 0 230.267 2.143 50 0 BEAARN COc1ccc(C)cc1C(=O)N1CCCC1 ZINC000058296180 175072844 /nfs/dbraw/zinc/07/28/44/175072844.db2.gz HSTAGWCRBXKEME-UHFFFAOYSA-N 0 0 219.284 2.240 50 0 BEAARN COc1ccc(C)cc1CN1CCO[C@H](C)C1 ZINC000054172227 175075571 /nfs/dbraw/zinc/07/55/71/175075571.db2.gz WQTJGKLUXAVLIJ-GFCCVEGCSA-N 0 0 235.327 2.224 50 0 BEAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCO1 ZINC000001466453 175077947 /nfs/dbraw/zinc/07/79/47/175077947.db2.gz MFKOLTMRWOPOMZ-GFCCVEGCSA-N 0 0 235.283 2.121 50 0 BEAARN COc1ccc(C)cc1Nc1nc(C)cc(N)n1 ZINC000075156683 175079100 /nfs/dbraw/zinc/07/91/00/175079100.db2.gz FLWWXSARMCCDNX-UHFFFAOYSA-N 0 0 244.298 2.428 50 0 BEAARN COc1ccc(C2CC(=O)CC(=O)C2)c(OC)c1 ZINC000100014312 175085312 /nfs/dbraw/zinc/08/53/12/175085312.db2.gz WKGWEOJDFAPKEP-UHFFFAOYSA-N 0 0 248.278 2.110 50 0 BEAARN COc1ccc(C=O)cc1Cn1cc(C)cn1 ZINC000004237923 175086391 /nfs/dbraw/zinc/08/63/91/175086391.db2.gz VWHMEHTYRMBOMV-UHFFFAOYSA-N 0 0 230.267 2.061 50 0 BEAARN COc1ccc(CC(=O)Nc2cccnc2)cc1 ZINC000000304658 175087683 /nfs/dbraw/zinc/08/76/83/175087683.db2.gz MQUBBMQYRRRRDN-UHFFFAOYSA-N 0 0 242.278 2.271 50 0 BEAARN COc1ccc(CNC(=O)NC2CCCC2)cc1 ZINC000012892075 175103817 /nfs/dbraw/zinc/10/38/17/175103817.db2.gz RSJJEAMWSPVNTJ-UHFFFAOYSA-N 0 0 248.326 2.437 50 0 BEAARN COc1ccc(Cl)cc1C(=O)NC1CC1 ZINC000006245319 175120015 /nfs/dbraw/zinc/12/00/15/175120015.db2.gz PMKVQBXRMCCSEY-UHFFFAOYSA-N 0 0 225.675 2.241 50 0 BEAARN COc1ccc(F)c(-c2ccc(N)nc2)c1 ZINC000065408638 175123886 /nfs/dbraw/zinc/12/38/86/175123886.db2.gz JBRFWOHPZRFWEY-UHFFFAOYSA-N 0 0 218.231 2.479 50 0 BEAARN COc1ccc(F)c(-c2nccc(N)c2OC)c1 ZINC000216334238 175124173 /nfs/dbraw/zinc/12/41/73/175124173.db2.gz UUUIISOWLLMKGA-UHFFFAOYSA-N 0 0 248.257 2.487 50 0 BEAARN COc1ccc(N(C)C(=O)C[C@@H]2C=CCC2)cn1 ZINC000299262275 175135640 /nfs/dbraw/zinc/13/56/40/175135640.db2.gz SQOCPHHKGGPEDE-LLVKDONJSA-N 0 0 246.310 2.409 50 0 BEAARN COc1ccc(N2CCSC2=O)cc1 ZINC000026675967 175139035 /nfs/dbraw/zinc/13/90/35/175139035.db2.gz UKUWBGHNFFEAEN-UHFFFAOYSA-N 0 0 209.270 2.368 50 0 BEAARN COc1ccc(NC(=O)N2CCSC2)cc1 ZINC000028232203 175143692 /nfs/dbraw/zinc/14/36/92/175143692.db2.gz AQQLIPAXLIKROJ-UHFFFAOYSA-N 0 0 238.312 2.233 50 0 BEAARN COc1ccc(NC(=O)[C@H]2CC=CCC2)cn1 ZINC000012527902 175146734 /nfs/dbraw/zinc/14/67/34/175146734.db2.gz VHGKLCISBJLUCJ-JTQLQIEISA-N 0 0 232.283 2.385 50 0 BEAARN COc1ccc(NC2=NCCCCC2)nc1 ZINC000006373185 175149950 /nfs/dbraw/zinc/14/99/50/175149950.db2.gz JCCBSTGMWKDORU-UHFFFAOYSA-N 0 0 219.288 2.475 50 0 BEAARN COc1ccc(OC(F)F)c(C=O)c1 ZINC000037022153 175162763 /nfs/dbraw/zinc/16/27/63/175162763.db2.gz WBUIAXUBXNTOGR-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN COc1ccc(OC)c(/C=C2/N=C(C)OC2=O)c1 ZINC000005396861 175163697 /nfs/dbraw/zinc/16/36/97/175163697.db2.gz PXPSCRCULWDBNH-YRNVUSSQSA-N 0 0 247.250 2.020 50 0 BEAARN COc1ccc(OC)c(C(=O)NCC2(C)CC2)c1 ZINC000072311353 175164361 /nfs/dbraw/zinc/16/43/61/175164361.db2.gz GELLGJAQRAHTHW-UHFFFAOYSA-N 0 0 249.310 2.234 50 0 BEAARN COc1ccc([C@@H]2CCC(=O)O2)cc1OC ZINC000034189678 175182197 /nfs/dbraw/zinc/18/21/97/175182197.db2.gz WUTCRAWYHFZCPK-VIFPVBQESA-N 0 0 222.240 2.082 50 0 BEAARN COc1ccc2c(Br)n[nH]c2c1 ZINC000075883966 175203806 /nfs/dbraw/zinc/20/38/06/175203806.db2.gz IKERFCDHWOPMJH-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1ccc2c(c1)[C@H](O)C[C@H](C(F)F)O2 ZINC000043464919 175217060 /nfs/dbraw/zinc/21/70/60/175217060.db2.gz ARCRCIFIKXIOMZ-PSASIEDQSA-N 0 0 230.210 2.145 50 0 BEAARN COc1ccc2ccc(OCCC(N)=O)cc2c1 ZINC000095439039 175225992 /nfs/dbraw/zinc/22/59/92/175225992.db2.gz RURYGLSDEGFNLR-UHFFFAOYSA-N 0 0 245.278 2.103 50 0 BEAARN COc1cccc(C(=O)C(F)(F)F)c1 ZINC000002565656 175242491 /nfs/dbraw/zinc/24/24/91/175242491.db2.gz YCVFUKRFGPIHOI-UHFFFAOYSA-N 0 0 204.147 2.440 50 0 in-vitro BEAARN COc1cccc(C(=O)NC(C)(C)C)c1OC ZINC000000496425 175244102 /nfs/dbraw/zinc/24/41/02/175244102.db2.gz OIXBLKIUIFMUCC-UHFFFAOYSA-N 0 0 237.299 2.232 50 0 BEAARN COc1cccc(C(=O)NCCc2ccco2)c1 ZINC000021475214 175245286 /nfs/dbraw/zinc/24/52/86/175245286.db2.gz BJDGONXBMICJQT-UHFFFAOYSA-N 0 0 245.278 2.261 50 0 BEAARN COc1cccc(C(=O)NCc2ccco2)c1 ZINC000000311788 175245464 /nfs/dbraw/zinc/24/54/64/175245464.db2.gz AJYAEHYHUXIFGO-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN COc1cccc(C(F)(F)F)c1CO ZINC000038529856 175247198 /nfs/dbraw/zinc/24/71/98/175247198.db2.gz UJYWLAALXLVJQH-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN COc1cccc(C2CC(=O)CC(=O)C2)c1 ZINC000100066358 175248947 /nfs/dbraw/zinc/24/89/47/175248947.db2.gz AQUXWSRUHWNKNU-UHFFFAOYSA-N 0 0 218.252 2.101 50 0 BEAARN COc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000023114852 175261551 /nfs/dbraw/zinc/26/15/51/175261551.db2.gz DYDNSWAKWDMNFF-RYUDHWBXSA-N 0 0 235.327 2.304 50 0 BEAARN COc1cccc(CNC(=O)CC(F)(F)F)c1 ZINC000044598628 175262654 /nfs/dbraw/zinc/26/26/54/175262654.db2.gz QCWLZTUJSDZDRH-UHFFFAOYSA-N 0 0 247.216 2.264 50 0 BEAARN COc1cccc(CNC(=O)c2ccncc2)c1 ZINC000015923951 175263037 /nfs/dbraw/zinc/26/30/37/175263037.db2.gz NWNPAMBWZPQTRX-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1cccc(Cn2nc(C)c(N)c2C)c1 ZINC000002558384 175273297 /nfs/dbraw/zinc/27/32/97/175273297.db2.gz GPRGFWHPNSBRDW-UHFFFAOYSA-N 0 0 231.299 2.139 50 0 BEAARN COc1cccc(NC(=O)NN2CCCCC2)c1 ZINC000011562472 175276838 /nfs/dbraw/zinc/27/68/38/175276838.db2.gz ZIFUODAKAFDCDZ-UHFFFAOYSA-N 0 0 249.314 2.218 50 0 BEAARN COc1cccc(NC(=O)Nc2n[nH]cc2C)c1 ZINC000134706214 175277383 /nfs/dbraw/zinc/27/73/83/175277383.db2.gz WJNTVQRRLPUCFK-UHFFFAOYSA-N 0 0 246.270 2.371 50 0 BEAARN COc1cccc(NC(=O)c2cnc(C)cn2)c1 ZINC000006339666 175278364 /nfs/dbraw/zinc/27/83/64/175278364.db2.gz ATIIWUVKLZSTIG-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1cccc(OC)c1-c1c[nH]cn1 ZINC000020997503 175280717 /nfs/dbraw/zinc/28/07/17/175280717.db2.gz CTHPGTGVECNXMW-UHFFFAOYSA-N 0 0 204.229 2.094 50 0 BEAARN COc1cccc([C@@H](O)C(F)(F)F)c1 ZINC000000282002 175289226 /nfs/dbraw/zinc/28/92/26/175289226.db2.gz RQAXPSRNKBTNOB-MRVPVSSYSA-N 0 0 206.163 2.291 50 0 BEAARN COc1cccc([C@@H]2CCCCN(C)C2=O)c1 ZINC000000083032 175290002 /nfs/dbraw/zinc/29/00/02/175290002.db2.gz HPYQDDXKEGCTGC-ZDUSSCGKSA-N 0 0 233.311 2.421 50 0 BEAARN COc1cccc([C@H](C)NC(=O)[C@H]2CCCO2)c1 ZINC000006731218 175292715 /nfs/dbraw/zinc/29/27/15/175292715.db2.gz HISIBKDWWABLJR-GXFFZTMASA-N 0 0 249.310 2.051 50 0 BEAARN COc1cccc2c(=O)n3c(nc12)CCCCC3 ZINC000002126426 175298344 /nfs/dbraw/zinc/29/83/44/175298344.db2.gz FWIOKLBSOBCDQW-UHFFFAOYSA-N 0 0 244.294 2.132 50 0 biogenic BEAARN COc1cccc2c1OC(C)(C)CC2=O ZINC000034068719 175304148 /nfs/dbraw/zinc/30/41/48/175304148.db2.gz XPVAFZFSGRBVBN-UHFFFAOYSA-N 0 0 206.241 2.439 50 0 BEAARN COc1cccc2c3c(c(=O)[nH]c12)CC(C)(C)O3 ZINC000000345713 175306537 /nfs/dbraw/zinc/30/65/37/175306537.db2.gz PCTYLCGKTDPOLJ-UHFFFAOYSA-N 0 0 245.278 2.250 50 0 BEAARN COc1cccc2sc(NC(C)=O)nc21 ZINC000000181061 175308519 /nfs/dbraw/zinc/30/85/19/175308519.db2.gz AQDZPXNDPBKKSZ-UHFFFAOYSA-N 0 0 222.269 2.263 50 0 BEAARN COc1ccccc1-c1ccc(O)cn1 ZINC000065355668 175310112 /nfs/dbraw/zinc/31/01/12/175310112.db2.gz RSWPDQFILREJAD-UHFFFAOYSA-N 0 0 201.225 2.463 50 0 BEAARN COc1ccccc1C1N=NC(=S)O1 ZINC000003886693 175312126 /nfs/dbraw/zinc/31/21/26/175312126.db2.gz DVGHKLUHJSFLIT-UHFFFAOYSA-N 0 0 208.242 2.034 50 0 BEAARN COc1ccccc1CC(=O)N1CCC[C@H](C)C1 ZINC000000121850 175320809 /nfs/dbraw/zinc/32/08/09/175320809.db2.gz GGZYKOKSGPDALA-LBPRGKRZSA-N 0 0 247.338 2.496 50 0 BEAARN COc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000023114707 175327365 /nfs/dbraw/zinc/32/73/65/175327365.db2.gz WEKGZAWJOBJDGM-VXGBXAGGSA-N 0 0 235.327 2.304 50 0 BEAARN COc1ccccc1NC(=S)NC(C)C ZINC000003313819 175336490 /nfs/dbraw/zinc/33/64/90/175336490.db2.gz DAQKOQRXZORWMH-UHFFFAOYSA-N 0 0 224.329 2.390 50 0 BEAARN COc1ccccc1OCc1csc(N)n1 ZINC000003885559 175341762 /nfs/dbraw/zinc/34/17/62/175341762.db2.gz DTPRZLWFPUQMST-UHFFFAOYSA-N 0 0 236.296 2.313 50 0 BEAARN COc1ccccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000008498868 175341903 /nfs/dbraw/zinc/34/19/03/175341903.db2.gz AIDQVKNUEAOHJO-NSHDSACASA-N 0 0 249.310 2.085 50 0 BEAARN COc1ccccc1[C@H](N)c1ccco1 ZINC000043607202 175353800 /nfs/dbraw/zinc/35/38/00/175353800.db2.gz CGACMEIJSCCYLJ-LBPRGKRZSA-N 0 0 203.241 2.336 50 0 BEAARN COc1ccnc(-c2cccc(OC)c2OC)n1 ZINC000067947846 175356924 /nfs/dbraw/zinc/35/69/24/175356924.db2.gz VLVUUCNXPWNDDU-UHFFFAOYSA-N 0 0 246.266 2.169 50 0 BEAARN COc1ccncc1NC(=O)Nc1ccccn1 ZINC000058208481 175374965 /nfs/dbraw/zinc/37/49/65/175374965.db2.gz QDNTXEZKYIJFHM-UHFFFAOYSA-N 0 0 244.254 2.129 50 0 BEAARN COc1ccncc1NC(=O)CC(C)(C)C ZINC000065587318 175375903 /nfs/dbraw/zinc/37/59/03/175375903.db2.gz LELMTMWJQSOYGG-UHFFFAOYSA-N 0 0 222.288 2.465 50 0 BEAARN COc1nc2c(ccn2C)cc1Br ZINC000096306896 175396905 /nfs/dbraw/zinc/39/69/05/175396905.db2.gz YYJBCFVYXAPGEH-UHFFFAOYSA-N 0 0 241.088 2.344 50 0 BEAARN CS(=O)(=O)c1ccc(-c2cccc(N)c2)cc1 ZINC000016947461 175437081 /nfs/dbraw/zinc/43/70/81/175437081.db2.gz WLBQXDAOSUICIW-UHFFFAOYSA-N 0 0 247.319 2.339 50 0 BEAARN CSCC[C@H](C)NC(=O)c1cccnc1C ZINC000096412318 175505903 /nfs/dbraw/zinc/50/59/03/175505903.db2.gz GAHOZMSNQFMORH-VIFPVBQESA-N 0 0 238.356 2.261 50 0 BEAARN CSCc1nnc(SC(C)C)o1 ZINC000048396433 175533529 /nfs/dbraw/zinc/53/35/29/175533529.db2.gz SZOZKZMQFZZBFT-UHFFFAOYSA-N 0 0 204.320 2.433 50 0 BEAARN CS[C@@H](C)CNC(=O)Nc1ccc(F)cn1 ZINC000123439867 175543109 /nfs/dbraw/zinc/54/31/09/175543109.db2.gz RUBYMKZUIPXFEG-ZETCQYMHSA-N 0 0 243.307 2.094 50 0 BEAARN CS[C@H]1CCC[C@@H]1N(C)Cc1nnc(C)o1 ZINC000076146387 175567962 /nfs/dbraw/zinc/56/79/62/175567962.db2.gz SMEPZXDQTLHTLI-UWVGGRQHSA-N 0 0 241.360 2.094 50 0 BEAARN C[C@@H](Nc1cnccn1)[C@H](O)c1ccc(F)cc1 ZINC000097104617 175935454 /nfs/dbraw/zinc/93/54/54/175935454.db2.gz FVCZAOIXBOXWPY-RNCFNFMXSA-N 0 0 247.273 2.150 50 0 BEAARN C[C@@H](O)c1c(Cl)n(C)nc1C(F)(F)F ZINC000000168198 175997875 /nfs/dbraw/zinc/99/78/75/175997875.db2.gz SDJZRAZGACHQDT-GSVOUGTGSA-N 0 0 228.601 2.146 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccccn1 ZINC000000477660 176005881 /nfs/dbraw/zinc/00/58/81/176005881.db2.gz YQTXMNCGPWCMHN-LLVKDONJSA-N 0 0 242.278 2.488 50 0 BEAARN C[C@@H](SCC1CCCC1)C(=O)N(C)C ZINC000095940643 176007828 /nfs/dbraw/zinc/00/78/28/176007828.db2.gz MPSRVWUDLSSVGE-SECBINFHSA-N 0 0 215.362 2.387 50 0 BEAARN C[C@@H](Sc1nnnn1C)c1ccccc1 ZINC000032859662 176010939 /nfs/dbraw/zinc/01/09/39/176010939.db2.gz HRDOTWBEEAWMFD-MRVPVSSYSA-N 0 0 220.301 2.063 50 0 BEAARN C[C@@H](Sc1nnnn1C)c1ccc(F)cc1 ZINC000040456837 176011309 /nfs/dbraw/zinc/01/13/09/176011309.db2.gz RUZIYBWGYVAJQX-SSDOTTSWSA-N 0 0 238.291 2.203 50 0 BEAARN C[C@@H](c1ccco1)N(C)C(=O)C1CCOCC1 ZINC000071867150 176030641 /nfs/dbraw/zinc/03/06/41/176030641.db2.gz HQNWXPVWYMPIRO-JTQLQIEISA-N 0 0 237.299 2.226 50 0 BEAARN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)C2CC2)C1 ZINC000097138452 176052566 /nfs/dbraw/zinc/05/25/66/176052566.db2.gz LJHHOJBZZCGGLP-QMTHXVAHSA-N 0 0 239.359 2.090 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 ZINC000058230697 176078913 /nfs/dbraw/zinc/07/89/13/176078913.db2.gz QVDCHSZTIPFJNY-PWSUYJOCSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@@H]1CCCC[C@@H]1OCCSc1c[nH]nn1 ZINC000097014286 176082364 /nfs/dbraw/zinc/08/23/64/176082364.db2.gz BJFHGKOXUHLXHL-ZJUUUORDSA-N 0 0 241.360 2.492 50 0 BEAARN C[C@@H]1CCCN(C(=O)NCc2cscn2)C1 ZINC000051749222 176092697 /nfs/dbraw/zinc/09/26/97/176092697.db2.gz NBDDHRZLSPFZRB-SECBINFHSA-N 0 0 239.344 2.085 50 0 BEAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccnc1 ZINC000001456445 176115031 /nfs/dbraw/zinc/11/50/31/176115031.db2.gz DYTNYPBYDDSYGQ-GHMZBOCLSA-N 0 0 218.300 2.485 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)CCn2cccn2)[C@@H]1C ZINC000047666018 176121656 /nfs/dbraw/zinc/12/16/56/176121656.db2.gz XNLOBKHIBPEABL-JHJVBQTASA-N 0 0 249.358 2.214 50 0 BEAARN C[C@@H]1CC[N@H+](CC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000237429501 176169048 /nfs/dbraw/zinc/16/90/48/176169048.db2.gz RVDJMKDZRMUACA-RNCFNFMXSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@@H]1CCN(S(=O)(=O)c2ccoc2)[C@H](C)C1 ZINC000285938551 176178818 /nfs/dbraw/zinc/17/88/18/176178818.db2.gz JGOVPAUUIHSEQL-NXEZZACHSA-N 0 0 243.328 2.089 50 0 BEAARN C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccco3)C(=O)[C@H]2C1 ZINC000239121192 176217587 /nfs/dbraw/zinc/21/75/87/176217587.db2.gz JMMKPJPQXJTMSO-USWWRNFRSA-N 0 0 247.294 2.201 50 0 BEAARN C[C@@H]1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1 ZINC000075337350 176239502 /nfs/dbraw/zinc/23/95/02/176239502.db2.gz DZNWHRNZUMDCAQ-SNVBAGLBSA-N 0 0 247.342 2.161 50 0 BEAARN C[C@@H]1CN(C(=O)C2CCCCC2)C[C@@H](C)O1 ZINC000000318399 176243940 /nfs/dbraw/zinc/24/39/40/176243940.db2.gz IUSTWWDPIVXYHN-GHMZBOCLSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@@H]1CN(C(=O)CCCc2ccccc2)CCO1 ZINC000046743440 176245415 /nfs/dbraw/zinc/24/54/15/176245415.db2.gz MGPFTNJMEJUSSU-CYBMUJFWSA-N 0 0 247.338 2.257 50 0 BEAARN C[C@@H]1CN(C)[C@H](c2ccccc2)CC1=O ZINC000000184840 176280276 /nfs/dbraw/zinc/28/02/76/176280276.db2.gz VNDAHOBGMUYYOM-PWSUYJOCSA-N 0 0 203.285 2.268 50 0 BEAARN C[C@@H]1CN(CCOc2ccccc2)C[C@@H](C)O1 ZINC000020118257 176292426 /nfs/dbraw/zinc/29/24/26/176292426.db2.gz UWBRSERUKWEFPC-CHWSQXEVSA-N 0 0 235.327 2.175 50 0 BEAARN C[C@@H]1CN(Cc2cccs2)C[C@@H](C)O1 ZINC000023114829 176307483 /nfs/dbraw/zinc/30/74/83/176307483.db2.gz YXVFKFIMGUYAFF-NXEZZACHSA-N 0 0 211.330 2.357 50 0 BEAARN C[C@@H]1CN=C(Nc2ccccc2N)S1 ZINC000003103230 176324104 /nfs/dbraw/zinc/32/41/04/176324104.db2.gz FVWQMXXGNNZXCC-SSDOTTSWSA-N 0 0 207.302 2.172 50 0 BEAARN C[C@@H]1COCCN1Cc1ccccc1F ZINC000046773890 176337154 /nfs/dbraw/zinc/33/71/54/176337154.db2.gz DELPCRJDHVFEEI-SNVBAGLBSA-N 0 0 209.264 2.046 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCCCc1ccccc1 ZINC000044866035 176386584 /nfs/dbraw/zinc/38/65/84/176386584.db2.gz HEMJRMPGCWQHEW-YPMHNXCESA-N 0 0 217.312 2.391 50 0 BEAARN C[C@@]1(F)CCCN(C(=O)c2ccco2)C1 ZINC000295576324 176535992 /nfs/dbraw/zinc/53/59/92/176535992.db2.gz MUUUXLHRJIQJNZ-LLVKDONJSA-N 0 0 211.236 2.244 50 0 BEAARN C[C@H](NC(=O)c1ccc2[nH]cnc2c1)C1CC1 ZINC000025593045 176818126 /nfs/dbraw/zinc/81/81/26/176818126.db2.gz BZEWEFKNPLIEEP-QMMMGPOBSA-N 0 0 229.283 2.091 50 0 BEAARN C[C@H](NC(=O)c1cccnc1N)c1ccccc1 ZINC000050201112 176820197 /nfs/dbraw/zinc/82/01/97/176820197.db2.gz WZARVFBGTBKYHS-JTQLQIEISA-N 0 0 241.294 2.155 50 0 BEAARN C[C@H](O)CN(Cc1ccccn1)c1ccccc1 ZINC000096424173 176976553 /nfs/dbraw/zinc/97/65/53/176976553.db2.gz YXKZUWCSNNFCOH-ZDUSSCGKSA-N 0 0 242.322 2.469 50 0 BEAARN C[C@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000059681457 177013873 /nfs/dbraw/zinc/01/38/73/177013873.db2.gz HYTHUSLXQOXIBJ-VHSXEESVSA-N 0 0 229.320 2.157 50 0 BEAARN C[C@H](OC(=O)[C@@H]1C[C@H]1C)C(=O)Nc1ccccc1 ZINC000005699792 177020430 /nfs/dbraw/zinc/02/04/30/177020430.db2.gz MTMNVCRGENNVIW-JFGNBEQYSA-N 0 0 247.294 2.213 50 0 BEAARN C[C@H](Oc1cccc(-c2cccnc2)c1)C(N)=O ZINC000032503322 177023503 /nfs/dbraw/zinc/02/35/03/177023503.db2.gz USQSRMAGHJMQND-JTQLQIEISA-N 0 0 242.278 2.001 50 0 BEAARN C[C@H](SC1CCCC1)C(=O)N(C)C ZINC000041391453 177025799 /nfs/dbraw/zinc/02/57/99/177025799.db2.gz QTTQJIOAWVYRRI-QMMMGPOBSA-N 0 0 201.335 2.139 50 0 BEAARN C[C@H](SCC1CCC1)C(=O)NC1CC1 ZINC000096433452 177027243 /nfs/dbraw/zinc/02/72/43/177027243.db2.gz VZIQEQJOQPSWNG-QMMMGPOBSA-N 0 0 213.346 2.187 50 0 BEAARN C[C@H](Sc1nnnn1C)c1ccc(F)cc1 ZINC000040456836 177030685 /nfs/dbraw/zinc/03/06/85/177030685.db2.gz RUZIYBWGYVAJQX-ZETCQYMHSA-N 0 0 238.291 2.203 50 0 BEAARN C[C@H](c1cccc(O)c1)N(C)Cc1nccn1C ZINC000071897183 177037976 /nfs/dbraw/zinc/03/79/76/177037976.db2.gz RAVOAYFTXZVDCE-LLVKDONJSA-N 0 0 245.326 2.319 50 0 BEAARN C[C@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C ZINC000001076024 177056534 /nfs/dbraw/zinc/05/65/34/177056534.db2.gz PUVALBABJRFOQO-VXGBXAGGSA-N 0 0 217.312 2.486 50 0 BEAARN C[C@H]1CC(C(=O)NCc2ccco2)C[C@H](C)O1 ZINC000093899920 177063580 /nfs/dbraw/zinc/06/35/80/177063580.db2.gz DFVGVVYPUZSASE-UWVGGRQHSA-N 0 0 237.299 2.099 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccn1 ZINC000032841326 177082310 /nfs/dbraw/zinc/08/23/10/177082310.db2.gz QMXQHIZLRAGABF-AAEUAGOBSA-N 0 0 247.342 2.460 50 0 BEAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1 ZINC000004666528 177083092 /nfs/dbraw/zinc/08/30/92/177083092.db2.gz SIJBEDJNWKDAJV-JQWIXIFHSA-N 0 0 218.300 2.390 50 0 BEAARN C[C@H]1CCCN(C(=O)Nc2ccncn2)[C@H]1C ZINC000194201317 177093360 /nfs/dbraw/zinc/09/33/60/177093360.db2.gz MUKPNXIOILSKNI-UWVGGRQHSA-N 0 0 234.303 2.129 50 0 BEAARN C[C@@H](OCC1CC1)C(=O)N1CCC[C@H](C)C1 ZINC000119534889 177093402 /nfs/dbraw/zinc/09/34/02/177093402.db2.gz ONLGCIZUVIEQQF-WDEREUQCSA-N 0 0 225.332 2.060 50 0 BEAARN C[C@H]1CCCN(C(=O)Nc2ccncc2F)C1 ZINC000095940253 177093595 /nfs/dbraw/zinc/09/35/95/177093595.db2.gz YNEVHMIBVWURHY-VIFPVBQESA-N 0 0 237.278 2.485 50 0 BEAARN C[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000012978822 177094757 /nfs/dbraw/zinc/09/47/57/177094757.db2.gz IOQQRVCYVKASMZ-SMDDNHRTSA-N 0 0 245.322 2.249 50 0 BEAARN C[C@@H]1CCC[C@H](C)N1C(=O)N1CCCO1 ZINC000096501719 177116301 /nfs/dbraw/zinc/11/63/01/177116301.db2.gz LCHNEYMYERFGRS-AOOOYVTPSA-N 0 0 212.293 2.007 50 0 BEAARN C[C@H]1CN(C(=O)c2cccc(Cl)c2)CCO1 ZINC000036076065 177227245 /nfs/dbraw/zinc/22/72/45/177227245.db2.gz VTVURPHBXUKYSE-VIFPVBQESA-N 0 0 239.702 2.201 50 0 BEAARN C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000014194834 177263735 /nfs/dbraw/zinc/26/37/35/177263735.db2.gz CKUXVHCLKWEFRC-PHIMTYICSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@@H]1CN(Cc2cccc(F)c2)C[C@H](C)O1 ZINC000012408893 177264800 /nfs/dbraw/zinc/26/48/00/177264800.db2.gz PJHKUPBBKSQXMK-PHIMTYICSA-N 0 0 223.291 2.435 50 0 BEAARN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1=O ZINC000068592687 177266174 /nfs/dbraw/zinc/26/61/74/177266174.db2.gz KUUYMZATYJQLLZ-TXEJJXNPSA-N 0 0 217.312 2.344 50 0 BEAARN C[C@@H]1COC[C@H](C)N1C(=O)Nc1ccccc1 ZINC000040634694 177298480 /nfs/dbraw/zinc/29/84/80/177298480.db2.gz YHUZAHVPIQCQGA-PHIMTYICSA-N 0 0 234.299 2.328 50 0 BEAARN C[C@H]1C[C@@H](Sc2ccccc2O)C(=O)O1 ZINC000089920148 177338025 /nfs/dbraw/zinc/33/80/25/177338025.db2.gz GJQSZGMWFDYFGG-OIBJUYFYSA-N 0 0 224.281 2.188 50 0 BEAARN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(N)=O ZINC000077538755 177338100 /nfs/dbraw/zinc/33/81/00/177338100.db2.gz PVGVEMIKXIVFLG-WCBMZHEXSA-N 0 0 222.263 2.082 50 0 BEAARN C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)[O-])C1 ZINC000237545697 177339656 /nfs/dbraw/zinc/33/96/56/177339656.db2.gz WUQIMQSNEGRWSA-CABZTGNLSA-N 0 0 237.274 2.293 50 0 BEAARN C[C@H]1C[C@H](Sc2nccn2C2CC2)C(=O)O1 ZINC000040489849 177374417 /nfs/dbraw/zinc/37/44/17/177374417.db2.gz UQKIMSPKGOXMOV-CBAPKCEASA-N 0 0 238.312 2.014 50 0 BEAARN C[C@H]1C[C@H]1C(=O)N1CCn2c3ccccc3nc21 ZINC000029375696 177376336 /nfs/dbraw/zinc/37/63/36/177376336.db2.gz XDFJQIKRBQTLIQ-VHSXEESVSA-N 0 0 241.294 2.039 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000031343623 177377195 /nfs/dbraw/zinc/37/71/95/177377195.db2.gz GRKQWTRDLYRPKY-GZMMTYOYSA-N 0 0 217.268 2.216 50 0 BEAARN C[C@H]1Cc2ccccc2N1C(=O)c1cnns1 ZINC000040554541 177390795 /nfs/dbraw/zinc/39/07/95/177390795.db2.gz KRPFCGPMZMRHKY-QMMMGPOBSA-N 0 0 245.307 2.130 50 0 BEAARN C[C@@H]1CCC[C@@H](NC(=O)CCn2cccn2)[C@H]1C ZINC000106560162 177425423 /nfs/dbraw/zinc/42/54/23/177425423.db2.gz XNLOBKHIBPEABL-FRRDWIJNSA-N 0 0 249.358 2.214 50 0 BEAARN C[C@]1(c2ccccc2)CCNC(=O)CC1 ZINC000225391990 177479107 /nfs/dbraw/zinc/47/91/07/177479107.db2.gz BNJMNDMSROAXRX-CYBMUJFWSA-N 0 0 203.285 2.244 50 0 BEAARN C[Si](C)(C)c1c(Cl)cnc2c1OCCO2 ZINC000169794267 177500347 /nfs/dbraw/zinc/50/03/47/177500347.db2.gz QLBAIHABKWUNLW-UHFFFAOYSA-N 0 0 243.766 2.051 50 0 BEAARN Cc1c(C(=O)N(C)CC2CCCCC2)cnn1C ZINC000044710747 177559968 /nfs/dbraw/zinc/55/99/68/177559968.db2.gz PSWXICIDGUKELN-UHFFFAOYSA-N 0 0 249.358 2.381 50 0 BEAARN Cc1c(C(=O)NCC(C)C)[nH]c2c1C(=O)CCC2 ZINC000012923546 177565080 /nfs/dbraw/zinc/56/50/80/177565080.db2.gz MPGYDAWRRUTPQM-UHFFFAOYSA-N 0 0 248.326 2.228 50 0 BEAARN Cc1c(C(N)=O)cccc1C(F)(F)F ZINC000002382160 177573409 /nfs/dbraw/zinc/57/34/09/177573409.db2.gz KIFNHEQJQVNAQB-UHFFFAOYSA-N 0 0 203.163 2.113 50 0 BEAARN CCCCNc1nc(N)nc(-c2ccccc2)n1 ZINC000034925545 487673282 /nfs/dbraw/zinc/67/32/82/487673282.db2.gz FBTHIHKTIQLWNL-UHFFFAOYSA-N 0 0 243.314 2.333 50 0 BEAARN CC[C@H](CO)NC(=O)NC1CCCCCCC1 ZINC000047601371 487794045 /nfs/dbraw/zinc/79/40/45/487794045.db2.gz CUDSZCBRMSHWJP-LLVKDONJSA-N 0 0 242.363 2.169 50 0 BEAARN CC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053641633 487857426 /nfs/dbraw/zinc/85/74/26/487857426.db2.gz QGNMSFNLHNDRCY-LDYMZIIASA-N 0 0 207.273 2.381 50 0 BEAARN CONC(=O)N[C@H](C)CCCC(C)C ZINC000084510298 487869235 /nfs/dbraw/zinc/86/92/35/487869235.db2.gz KKZILNMEANYMGF-SECBINFHSA-N 0 0 202.298 2.062 50 0 BEAARN Cc1csc(SCc2noc(C)n2)n1 ZINC000048309274 487897952 /nfs/dbraw/zinc/89/79/52/487897952.db2.gz YEUNOOVYUCPFRJ-UHFFFAOYSA-N 0 0 227.314 2.435 50 0 BEAARN Cc1ccc(C(=O)NCc2nc(C)c(C)o2)o1 ZINC000048821685 487932038 /nfs/dbraw/zinc/93/20/38/487932038.db2.gz YETHPAPDUSECLX-UHFFFAOYSA-N 0 0 234.255 2.123 50 0 BEAARN Cc1cccnc1NC1=NC[C@H](C)S1 ZINC000000528861 322810019 /nfs/dbraw/zinc/81/00/19/322810019.db2.gz RNZQWONLQDAXRL-QMMMGPOBSA-N 0 0 207.302 2.293 50 0 BEAARN Cc1nn(CCO)c(NCCC(C)(C)C)c1C ZINC000097103964 322984874 /nfs/dbraw/zinc/98/48/74/322984874.db2.gz XSMYZYVZPNKMRS-UHFFFAOYSA-N 0 0 239.363 2.340 50 0 BEAARN Cc1cccn2c(CNc3ccon3)cnc12 ZINC000097379566 322987871 /nfs/dbraw/zinc/98/78/71/322987871.db2.gz NVKGXUMKEQULQG-UHFFFAOYSA-N 0 0 228.255 2.243 50 0 BEAARN CCC[C@H](NC(=O)c1ccoc1)c1nccn1C ZINC000534656079 323157754 /nfs/dbraw/zinc/15/77/54/323157754.db2.gz UZCDAEDPOAVYPU-NSHDSACASA-N 0 0 247.298 2.284 50 0 BEAARN Cc1cc(-c2ccc3nc([C@H](C)O)[nH]c3c2)n[nH]1 ZINC000534675029 323158754 /nfs/dbraw/zinc/15/87/54/323158754.db2.gz QJYKLYHTPVJULE-QMMMGPOBSA-N 0 0 242.282 2.315 50 0 BEAARN COc1cccc(-c2ccc[nH]c2=O)c1OC ZINC000534672986 323158811 /nfs/dbraw/zinc/15/88/11/323158811.db2.gz VGFYFVCVKZQNML-UHFFFAOYSA-N 0 0 231.251 2.471 50 0 BEAARN CCOC(=O)[C@H]1CCCc2ccccc2[C@@H]1O ZINC000043198971 323236865 /nfs/dbraw/zinc/23/68/65/323236865.db2.gz XMLSLHNKCHYIOP-STQMWFEESA-N 0 0 234.295 2.236 50 0 BEAARN CC(=O)O[C@@H]1C[C@]2(CC=CCC2)CC[C@@H]1O ZINC000043198706 323236888 /nfs/dbraw/zinc/23/68/88/323236888.db2.gz JQNRLSUGPVPVAO-XQQFMLRXSA-N 0 0 224.300 2.189 50 0 BEAARN Cc1nnc(CN[C@H](C)c2cscn2)s1 ZINC000309147695 323320833 /nfs/dbraw/zinc/32/08/33/323320833.db2.gz VQSUUDODGFQXAP-ZCFIWIBFSA-N 0 0 240.357 2.154 50 0 BEAARN CCc1[nH]nc(NC(=O)C2CC=CC2)c1C ZINC000083817385 325574697 /nfs/dbraw/zinc/57/46/97/325574697.db2.gz PRWJVVFCSLXDNZ-UHFFFAOYSA-N 0 0 219.288 2.185 50 0 BEAARN C[C@@H](N[C@@H](C)c1cscn1)c1nccn1C ZINC000566865151 326090050 /nfs/dbraw/zinc/09/00/50/326090050.db2.gz USHZXCKBKDDEAS-DTWKUNHWSA-N 0 0 236.344 2.288 50 0 BEAARN CCOCC(=O)Nc1cccc(C)c1C(C)=O ZINC000157821177 326296983 /nfs/dbraw/zinc/29/69/83/326296983.db2.gz AEMUFOQVPJNTEY-UHFFFAOYSA-N 0 0 235.283 2.173 50 0 BEAARN Cc1cc(C)n(-c2cc(Cl)nc(C)n2)n1 ZINC000000234447 488018975 /nfs/dbraw/zinc/01/89/75/488018975.db2.gz YUVZWUDVMQQABN-UHFFFAOYSA-N 0 0 222.679 2.241 50 0 BEAARN Cc1nn(C)c2ncc(NC(=O)C3CCC3)cc12 ZINC000032899783 488032729 /nfs/dbraw/zinc/03/27/29/488032729.db2.gz WQYRZHOXLHEUJL-UHFFFAOYSA-N 0 0 244.298 2.015 50 0 BEAARN CC[C@H](C)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000012873184 488048871 /nfs/dbraw/zinc/04/88/71/488048871.db2.gz SXUALQAPNYWDRX-VIFPVBQESA-N 0 0 244.294 2.056 50 0 BEAARN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CC1 ZINC000084640680 488075238 /nfs/dbraw/zinc/07/52/38/488075238.db2.gz GXGQIOTUVYBAGD-JTQLQIEISA-N 0 0 248.326 2.127 50 0 BEAARN CCCC1(CNC(=O)[C@H](C)OC)CCC1 ZINC000084740547 488090352 /nfs/dbraw/zinc/09/03/52/488090352.db2.gz OUDIYOULXWPCHA-JTQLQIEISA-N 0 0 213.321 2.108 50 0 BEAARN Cn1cccc1C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067502787 487533052 /nfs/dbraw/zinc/53/30/52/487533052.db2.gz ZWVWZXPQMQQUBT-STQMWFEESA-N 0 0 240.306 2.311 50 0 BEAARN COC[C@@H](C)N1CC(Oc2ccc(C)cc2)C1 ZINC000670440502 487488999 /nfs/dbraw/zinc/48/89/99/487488999.db2.gz GSTFYUQLMRWOEH-GFCCVEGCSA-N 0 0 235.327 2.093 50 0 BEAARN CC[C@@]1(O)CCCN(c2ncc(C(C)C)cn2)C1 ZINC000670451357 487502437 /nfs/dbraw/zinc/50/24/37/487502437.db2.gz KCDKLFHMVPGHAV-CQSZACIVSA-N 0 0 249.358 2.341 50 0 BEAARN CCCCn1nc(COC)nc1-c1ccco1 ZINC000670461631 487513956 /nfs/dbraw/zinc/51/39/56/487513956.db2.gz FZLJDWGFQHRYNC-UHFFFAOYSA-N 0 0 235.287 2.485 50 0 BEAARN O=c1cc(-c2ccccc2)nc2ccccn12 ZINC000001583235 490040943 /nfs/dbraw/zinc/04/09/43/490040943.db2.gz VAKQBHALQXEEAG-UHFFFAOYSA-N 0 0 222.247 2.362 50 0 BEAARN C[C@@H](NC(=O)NCc1ccco1)c1ccncc1 ZINC000048455461 487918135 /nfs/dbraw/zinc/91/81/35/487918135.db2.gz ADOPHLVSQRANQL-SNVBAGLBSA-N 0 0 245.282 2.235 50 0 BEAARN CCc1cc(NC)nc(-c2ccccn2)n1 ZINC000050850907 488183765 /nfs/dbraw/zinc/18/37/65/488183765.db2.gz NRFNVZKWQPTWAU-UHFFFAOYSA-N 0 0 214.272 2.143 50 0 BEAARN CN1C(=O)C2(CCCC2)N[C@@H]1c1ccc(F)cc1 ZINC000069623494 490176961 /nfs/dbraw/zinc/17/69/61/490176961.db2.gz HLZQFQJIPICPJS-LBPRGKRZSA-N 0 0 248.301 2.199 50 0 BEAARN CN[C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000071788265 490278267 /nfs/dbraw/zinc/27/82/67/490278267.db2.gz CXFYAORPHAAFTE-ZDUSSCGKSA-N 0 0 235.327 2.364 50 0 BEAARN Fc1cccc(Cl)c1CN1CCOCC1 ZINC000019633982 491063558 /nfs/dbraw/zinc/06/35/58/491063558.db2.gz PSCXKIBBLMGFGG-UHFFFAOYSA-N 0 0 229.682 2.311 50 0 BEAARN Cn1nnnc1S[C@@H]1CCCc2ccccc21 ZINC000040114176 491106843 /nfs/dbraw/zinc/10/68/43/491106843.db2.gz RKTLIHCAMPGNCJ-LLVKDONJSA-N 0 0 246.339 2.380 50 0 BEAARN CC(C)NC(=O)N1CCSc2ncccc21 ZINC000089885266 491121273 /nfs/dbraw/zinc/12/12/73/491121273.db2.gz LJZVIPQBOOFBJI-UHFFFAOYSA-N 0 0 237.328 2.112 50 0 BEAARN Cc1ncsc1C(=O)N(C)Cc1ccncc1 ZINC000046744929 491121856 /nfs/dbraw/zinc/12/18/56/491121856.db2.gz WAMXFSMXJXPCOM-UHFFFAOYSA-N 0 0 247.323 2.119 50 0 BEAARN CC(=O)c1c(=O)cc(C)oc1NCc1ccco1 ZINC000000033583 491125145 /nfs/dbraw/zinc/12/51/45/491125145.db2.gz KRTOUGBCFLQQGS-UHFFFAOYSA-N 0 0 247.250 2.356 50 0 BEAARN CCc1nsc(NCCc2ccc(C)nc2)n1 ZINC000080981872 491156775 /nfs/dbraw/zinc/15/67/75/491156775.db2.gz IYLRZYOJFAJQGF-UHFFFAOYSA-N 0 0 248.355 2.459 50 0 BEAARN CCOCCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245405451 519924868 /nfs/dbraw/zinc/92/48/68/519924868.db2.gz SXPHZRKYIZFDIU-HIFRSBDPSA-N 0 0 249.354 2.485 50 0 BEAARN CCCCOC(=O)[C@H](C)OC(=O)CCC ZINC000002036968 574411715 /nfs/dbraw/zinc/41/17/15/574411715.db2.gz NORZZKKLCYMBBF-VIFPVBQESA-N 0 0 216.277 2.062 50 0 endogenous,in-man BEAARN CC[C@@H](C)C(=O)c1nc(C2OCCO2)cs1 ZINC000757124875 582500323 /nfs/dbraw/zinc/50/03/23/582500323.db2.gz QNMXFAAXKCXJNA-SSDOTTSWSA-N 0 0 241.312 2.417 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)c1nc(C2OCCO2)cs1 ZINC000757124972 582499719 /nfs/dbraw/zinc/49/97/19/582499719.db2.gz RWDIZGZVRBZSQI-BQBZGAKWSA-N 0 0 239.296 2.027 50 0 BEAARN CC(C)(C)ONC(=O)CCCc1ccccn1 ZINC000089694323 518886330 /nfs/dbraw/zinc/88/63/30/518886330.db2.gz HKXXEGPYSRWRDH-UHFFFAOYSA-N 0 0 236.315 2.251 50 0 BEAARN CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@H]2C(=O)NC(=O)[C@H]21 ZINC000252694806 519443007 /nfs/dbraw/zinc/44/30/07/519443007.db2.gz QIHKOLSLJMRHDJ-QCNOEVLYSA-N 0 0 233.311 2.054 50 0 biogenic BEAARN CCOC(=O)Cn1nc(C2CC2)cc1C(F)F ZINC000002534330 520920150 /nfs/dbraw/zinc/92/01/50/520920150.db2.gz JIUHAANXCQKIQZ-UHFFFAOYSA-N 0 0 244.241 2.261 50 0 BEAARN CCOCCC1(CNC(=O)C2CCC2)CCC1 ZINC000089986766 521682631 /nfs/dbraw/zinc/68/26/31/521682631.db2.gz BXGAEGHEBHBKKG-UHFFFAOYSA-N 0 0 239.359 2.500 50 0 BEAARN CCc1noc(CSc2nccn2CC)n1 ZINC000040049453 522900145 /nfs/dbraw/zinc/90/01/45/522900145.db2.gz ZDJWVLLUOLZZJZ-UHFFFAOYSA-N 0 0 238.316 2.141 50 0 BEAARN CC(=O)Nc1cc(N)ccc1N1CCCCC1 ZINC000012379573 534697862 /nfs/dbraw/zinc/69/78/62/534697862.db2.gz DVBYLBOQEMKQKL-UHFFFAOYSA-N 0 0 233.315 2.218 50 0 BEAARN COC(=O)C1=C(O)CC[C@@H](C(C)(C)C)C1 ZINC000084199434 523788316 /nfs/dbraw/zinc/78/83/16/523788316.db2.gz VIIDTQNSMYMAIY-RKDXNWHRSA-N 0 0 212.289 2.191 50 0 BEAARN CCc1ccc(C(=O)CSc2nc[nH]n2)cc1 ZINC000004411294 523879940 /nfs/dbraw/zinc/87/99/40/523879940.db2.gz VTOQRQKPOBSELE-UHFFFAOYSA-N 0 0 247.323 2.342 50 0 BEAARN C[C@@H](CO)CSCc1nnc(C(C)(C)C)o1 ZINC000075148447 524778439 /nfs/dbraw/zinc/77/84/39/524778439.db2.gz VSGBEDGHDFBZCN-QMMMGPOBSA-N 0 0 244.360 2.229 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)CCOCc1ccccc1 ZINC000089920364 525299218 /nfs/dbraw/zinc/29/92/18/525299218.db2.gz HZJACYYELBSWER-OCCSQVGLSA-N 0 0 247.338 2.318 50 0 BEAARN C[C@@H]1Cc2ccccc2C[N@@H+]1CCCC(=O)[O-] ZINC000172995238 525525963 /nfs/dbraw/zinc/52/59/63/525525963.db2.gz KIHCXNPWLXVYPO-LLVKDONJSA-N 0 0 233.311 2.298 50 0 BEAARN O=C(C1CC1)N1CC[C@H](Oc2ccccc2)C1 ZINC000257178940 526287700 /nfs/dbraw/zinc/28/77/00/526287700.db2.gz HNXOAISZTSSDID-ZDUSSCGKSA-N 0 0 231.295 2.076 50 0 BEAARN O=C(CC[C@H]1CCCO1)NCC1CCCC1 ZINC000040509776 526570713 /nfs/dbraw/zinc/57/07/13/526570713.db2.gz GVIZWMABSBJHFW-GFCCVEGCSA-N 0 0 225.332 2.252 50 0 BEAARN O=C(CCc1ccsc1)NCc1ccccn1 ZINC000025132874 526634369 /nfs/dbraw/zinc/63/43/69/526634369.db2.gz WKXIVVYKWXMLGI-UHFFFAOYSA-N 0 0 246.335 2.392 50 0 BEAARN Cc1nc(CN[C@H](C)[C@H](C)n2cccn2)oc1C ZINC000069948467 526893026 /nfs/dbraw/zinc/89/30/26/526893026.db2.gz FQOYZOCQOSKBJA-KOLCDFICSA-N 0 0 248.330 2.227 50 0 BEAARN O=C1Nc2ccccc2[C@@]12O[C@@H]1CCCC[C@@H]1O2 ZINC000239284705 527091494 /nfs/dbraw/zinc/09/14/94/527091494.db2.gz BXNQCLJYOVTQDD-IMRBUKKESA-N 0 0 245.278 2.150 50 0 BEAARN CC(=O)c1cnc(N2CCC[C@@H](C)C2)nc1C ZINC000008731919 534934270 /nfs/dbraw/zinc/93/42/70/534934270.db2.gz FOABNFIARBZDPR-SECBINFHSA-N 0 0 233.315 2.224 50 0 BEAARN CC(=O)c1cnc(N2C[C@H](C)C[C@H](C)C2)nc1C ZINC000017744716 534934563 /nfs/dbraw/zinc/93/45/63/534934563.db2.gz KLKYTMDHYKPSJP-AOOOYVTPSA-N 0 0 247.342 2.470 50 0 BEAARN COc1ccc2c3c1CCCN3CCC2 ZINC000003877943 537030294 /nfs/dbraw/zinc/03/02/94/537030294.db2.gz ZSKPEBROOQBZNW-UHFFFAOYSA-N 0 0 203.285 2.394 50 0 BEAARN CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000011660139 538705493 /nfs/dbraw/zinc/70/54/93/538705493.db2.gz FTHSUVGRFDIIDH-UHFFFAOYSA-N 0 0 237.258 2.258 50 0 BEAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)O ZINC000004025994 574412142 /nfs/dbraw/zinc/41/21/42/574412142.db2.gz UJNOLBSYLSYIBM-WISYIIOYSA-N 0 0 228.332 2.371 50 0 endogenous,in-man BEAARN Cc1ccc(Cl)cc1[C@H]1C[NH2+]C[C@@H]1C(=O)[O-] ZINC000757193419 582557842 /nfs/dbraw/zinc/55/78/42/582557842.db2.gz PBROJHRCSVDVLL-MNOVXSKESA-N 0 0 239.702 2.036 50 0 BEAARN C=CC(=O)N[C@H]1COc2cccc(Cl)c21 ZINC000888098824 583181040 /nfs/dbraw/zinc/18/10/40/583181040.db2.gz SAMXZLPBQLDWFN-QMMMGPOBSA-N 0 0 223.659 2.076 50 0 BEAARN Nc1cccc(C(=O)CC(F)(F)F)c1 ZINC000141320641 583552896 /nfs/dbraw/zinc/55/28/96/583552896.db2.gz MPHOVHPZGIAIOO-UHFFFAOYSA-N 0 0 203.163 2.404 50 0 BEAARN NC(=O)c1cccc(-c2ccc(C=O)cc2)c1 ZINC000115927745 588938030 /nfs/dbraw/zinc/93/80/30/588938030.db2.gz GOSUBNKJNMHZOR-UHFFFAOYSA-N 0 0 225.247 2.265 50 0 BEAARN C=CC(=O)NC[C@H]1CCCc2ccccc21 ZINC000791316062 585977028 /nfs/dbraw/zinc/97/70/28/585977028.db2.gz GKSXROLUSDHEKG-GFCCVEGCSA-N 0 0 215.296 2.409 50 0 BEAARN C=CC(=O)NCc1coc(-c2cccs2)n1 ZINC000791334007 585977785 /nfs/dbraw/zinc/97/77/85/585977785.db2.gz UKBZEWPPZFPAKP-UHFFFAOYSA-N 0 0 234.280 2.205 50 0 BEAARN C=CC(=O)N[C@H]1CCCOc2ccccc21 ZINC000791344689 585978089 /nfs/dbraw/zinc/97/80/89/585978089.db2.gz SOSNVXKQPJBLOY-NSHDSACASA-N 0 0 217.268 2.203 50 0 BEAARN C=CC(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000791366108 585979125 /nfs/dbraw/zinc/97/91/25/585979125.db2.gz HCGLMAGPNQJADP-GFCCVEGCSA-N 0 0 233.336 2.489 50 0 BEAARN O=C([O-])[C@H]1CC[C@H](C2CCCCC2)[NH2+]C1 ZINC000107470186 588367316 /nfs/dbraw/zinc/36/73/16/588367316.db2.gz NXAYXNDUQHLYJA-WDEREUQCSA-N 0 0 211.305 2.020 50 0 BEAARN O=C([O-])[C@@H]1CCC[NH2+][C@@H]1C1CCCCC1 ZINC000107470334 588367373 /nfs/dbraw/zinc/36/73/73/588367373.db2.gz CBOZOKCIVVNMIY-GHMZBOCLSA-N 0 0 211.305 2.020 50 0 BEAARN C=CC(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000848979044 588422765 /nfs/dbraw/zinc/42/27/65/588422765.db2.gz JQJWUENMYRKCKV-LLVKDONJSA-N 0 0 217.268 2.039 50 0 BEAARN C=CC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000848979153 588422879 /nfs/dbraw/zinc/42/28/79/588422879.db2.gz GZDMOAGERHNOCP-VIFPVBQESA-N 0 0 249.314 2.481 50 0 BEAARN C=CC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000848978983 588422978 /nfs/dbraw/zinc/42/29/78/588422978.db2.gz GBTDCKIPILNTSR-GXTWGEPZSA-N 0 0 249.285 2.348 50 0 BEAARN C=CC(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000848979682 588423125 /nfs/dbraw/zinc/42/31/25/588423125.db2.gz XUHUPBNRZBSPLL-NXEZZACHSA-N 0 0 211.330 2.059 50 0 BEAARN C=CC(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000848979684 588423157 /nfs/dbraw/zinc/42/31/57/588423157.db2.gz XUHUPBNRZBSPLL-VHSXEESVSA-N 0 0 211.330 2.059 50 0 BEAARN C=CC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 ZINC000848979379 588423419 /nfs/dbraw/zinc/42/34/19/588423419.db2.gz VCIMAQVYRCJCPN-ZDUSSCGKSA-N 0 0 245.322 2.415 50 0 BEAARN CCCCc1ccc(S(=O)(=O)NCC)cc1 ZINC000013938534 589192440 /nfs/dbraw/zinc/19/24/40/589192440.db2.gz RSDGFQLODYKKKP-UHFFFAOYSA-N 0 0 241.356 2.327 50 0 BEAARN C=CC(=O)N1Cc2cccc(Cl)c2C1 ZINC000863970403 589328494 /nfs/dbraw/zinc/32/84/94/589328494.db2.gz HQTGMDRZMSDEQQ-UHFFFAOYSA-N 0 0 207.660 2.368 50 0 BEAARN C=CC(=O)N[C@H]1CSc2ccccc21 ZINC000863970129 589329682 /nfs/dbraw/zinc/32/96/82/589329682.db2.gz ALFJMPKXYBXUAH-VIFPVBQESA-N 0 0 205.282 2.136 50 0 BEAARN C=CC(=O)NCc1ccc2occc2c1 ZINC000863970829 589329713 /nfs/dbraw/zinc/32/97/13/589329713.db2.gz VMIGNDRQAIKUKM-UHFFFAOYSA-N 0 0 201.225 2.235 50 0 BEAARN C=CC(=O)N1CCc2ccccc2C1(C)C ZINC000863970461 589329755 /nfs/dbraw/zinc/32/97/55/589329755.db2.gz LRSGBVGBWJLLOJ-UHFFFAOYSA-N 0 0 215.296 2.492 50 0 BEAARN C=CC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000863970599 589329789 /nfs/dbraw/zinc/32/97/89/589329789.db2.gz OADMAVYNNWKPPM-MRVPVSSYSA-N 0 0 203.232 2.114 50 0 BEAARN C=CC(=O)N1CC[C@H](COc2ccccc2)C1 ZINC000863971038 589330383 /nfs/dbraw/zinc/33/03/83/589330383.db2.gz CAKFFRMLHCOGJH-LBPRGKRZSA-N 0 0 231.295 2.100 50 0 BEAARN O=C(CC1=CCCCC1)NCc1ccon1 ZINC000020725093 590157507 /nfs/dbraw/zinc/15/75/07/590157507.db2.gz HDPKZCAPJFCSCA-UHFFFAOYSA-N 0 0 220.272 2.181 50 0 BEAARN CC(C)[C@H](C)NC(=O)/C=C\c1cccnc1 ZINC000103396100 592577993 /nfs/dbraw/zinc/57/79/93/592577993.db2.gz WILOEAMHAGEOSR-ZADCQDASSA-N 0 0 218.300 2.256 50 0 BEAARN CC(C)[C@H](C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000023056268 631290985 /nfs/dbraw/zinc/29/09/85/631290985.db2.gz HQYBVHOAOLSZRR-VIFPVBQESA-N 0 0 247.298 2.444 50 0 BEAARN CO[C@H](C)C(=O)NCc1ccc(Cl)c(C)c1 ZINC000097112030 631293611 /nfs/dbraw/zinc/29/36/11/631293611.db2.gz KZKZKNSSVCMSKM-SECBINFHSA-N 0 0 241.718 2.300 50 0 BEAARN Cc1nc2ncccn2c1-c1nc(C(C)C)no1 ZINC000020877924 633816886 /nfs/dbraw/zinc/81/68/86/633816886.db2.gz GWRGIOWUSPXGCU-UHFFFAOYSA-N 0 0 243.270 2.211 50 0 BEAARN CO[C@@H]1CCC12CCN(C(=O)CC(C)C)CC2 ZINC000257181349 633917021 /nfs/dbraw/zinc/91/70/21/633917021.db2.gz MYFFXZAJQUNKJN-GFCCVEGCSA-N 0 0 239.359 2.450 50 0 BEAARN Oc1ccccc1CN=Nc1ccc(Cl)nn1 ZINC000254746951 635152022 /nfs/dbraw/zinc/15/20/22/635152022.db2.gz NDNNYDRNWPISJA-UHFFFAOYSA-N 0 0 248.673 2.282 50 0 BEAARN C=CC(=O)N[C@@H](C)[C@H]1Cc2ccccc21 ZINC000888098618 635375961 /nfs/dbraw/zinc/37/59/61/635375961.db2.gz QWDHKZHMPLMIJC-JOYOIKCWSA-N 0 0 201.269 2.017 50 0 BEAARN CC(=O)[C@H]1COc2c(ccc(F)c2F)C1 ZINC000675063546 640955840 /nfs/dbraw/zinc/95/58/40/640955840.db2.gz HUPFMQHKDLKRNH-MRVPVSSYSA-N 0 0 212.195 2.105 50 0 BEAARN CC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000675064352 640962245 /nfs/dbraw/zinc/96/22/45/640962245.db2.gz YHCBKZHNTSTSNT-SECBINFHSA-N 0 0 210.660 2.480 50 0 BEAARN NC(=O)c1cc2c(nc1-c1ccsc1)CCC2 ZINC000032580918 641388479 /nfs/dbraw/zinc/38/84/79/641388479.db2.gz PPZXBZCXVGGBOF-UHFFFAOYSA-N 0 0 244.319 2.398 50 0 BEAARN c1cc2ncnc(-c3cn[nH]c3)c2s1 ZINC000032598027 641402909 /nfs/dbraw/zinc/40/29/09/641402909.db2.gz OXIHXCOMGMSCGS-UHFFFAOYSA-N 0 0 202.242 2.081 50 0 BEAARN COC[C@H](C)NC(=O)/C=C\c1cccc(C)c1 ZINC000097987788 642651831 /nfs/dbraw/zinc/65/18/31/642651831.db2.gz MBFQFDNIHYBWHT-KRZKBDHCSA-N 0 0 233.311 2.159 50 0 BEAARN O=C1c2ccccc2-c2nc3ncccc3nc21 ZINC000000186507 642750868 /nfs/dbraw/zinc/75/08/68/642750868.db2.gz FNOHEHFDTZVGNB-UHFFFAOYSA-N 0 0 233.230 2.236 50 0 BEAARN c1cnn(-c2cc(NC3CCCCC3)ncn2)c1 ZINC000000209706 642753735 /nfs/dbraw/zinc/75/37/35/642753735.db2.gz NJEJHOSZMIZICW-UHFFFAOYSA-N 0 0 243.314 2.407 50 0 BEAARN C[C@@H]([NH2+]C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000000270460 642765559 /nfs/dbraw/zinc/76/55/59/642765559.db2.gz RLDYLNBTVOECPS-VHSXEESVSA-N 0 0 207.273 2.058 50 0 BEAARN CC(=O)Oc1c2occc2cc2ccc(=O)oc21 ZINC000000310850 642766940 /nfs/dbraw/zinc/76/69/40/642766940.db2.gz LPTRRECWRHWOEU-UHFFFAOYSA-N 0 0 244.202 2.465 50 0 BEAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)OC2(C)C)c1 ZINC000000467218 642781003 /nfs/dbraw/zinc/78/10/03/642781003.db2.gz HRYKSFGWFBVTRU-NSHDSACASA-N 0 0 247.294 2.275 50 0 BEAARN O=C(c1ccccc1)N1CC[C@H](O)[C@H]2CCC[C@H]21 ZINC000000985474 642813316 /nfs/dbraw/zinc/81/33/16/642813316.db2.gz ABZIFBVBXURRBG-MJBXVCDLSA-N 0 0 245.322 2.062 50 0 BEAARN NNCCCOc1cccc2ccccc21 ZINC000019168449 643038944 /nfs/dbraw/zinc/03/89/44/643038944.db2.gz BEFCYMFGSFEORK-UHFFFAOYSA-N 0 0 216.284 2.072 50 0 BEAARN Cc1nc(-c2nc(Cc3ccsc3)no2)c[nH]1 ZINC000019143681 643039304 /nfs/dbraw/zinc/03/93/04/643039304.db2.gz GPLFAEIBNMQRQE-UHFFFAOYSA-N 0 0 246.295 2.420 50 0 BEAARN Nc1nc2ccccc2n1NCc1ccccc1 ZINC000016677424 643274567 /nfs/dbraw/zinc/27/45/67/643274567.db2.gz HWUHBQMKVOJTGP-UHFFFAOYSA-N 0 0 238.294 2.362 50 0 BEAARN Cc1nc[nH]c1CNCc1cc(CC(C)C)no1 ZINC000952970050 644446408 /nfs/dbraw/zinc/44/64/08/644446408.db2.gz QECWLCUHMPKEQG-UHFFFAOYSA-N 0 0 248.330 2.194 50 0 BEAARN CC/C=C(/CN1C[C@@H](O)[C@H](F)C1)c1ccccc1 ZINC000952986018 644448900 /nfs/dbraw/zinc/44/89/00/644448900.db2.gz FXZAPPNKBDDVLK-CGHRZIEDSA-N 0 0 249.329 2.495 50 0 BEAARN C/C(=C/C(=O)Nc1cccc(CO)c1)C1CC1 ZINC000095447691 644749715 /nfs/dbraw/zinc/74/97/15/644749715.db2.gz KWBWFYILXKILPQ-YFHOEESVSA-N 0 0 231.295 2.474 50 0 BEAARN CC[C@H](NC(=O)C=C(C)C1CC1)c1ncc[nH]1 ZINC000095945627 644782595 /nfs/dbraw/zinc/78/25/95/644782595.db2.gz AFBLHSUZGGPFAN-IQQGHNRFSA-N 0 0 233.315 2.333 50 0 BEAARN COCc1nccc(N[C@H]2CCC[C@H]2C)n1 ZINC000929084754 645933087 /nfs/dbraw/zinc/93/30/87/645933087.db2.gz IRYIRBFCNPQSHV-ZJUUUORDSA-N 0 0 221.304 2.224 50 0 BEAARN COCc1nccc(N[C@H]2CCC[C@@H]2C)n1 ZINC000929084752 645934252 /nfs/dbraw/zinc/93/42/52/645934252.db2.gz IRYIRBFCNPQSHV-UWVGGRQHSA-N 0 0 221.304 2.224 50 0 BEAARN Brc1cnc2nscc2c1 ZINC000514250873 712575394 /nfs/dbraw/zinc/57/53/94/712575394.db2.gz MWQSJQZAZHCWDK-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Cc1ccc(F)c(-c2cnc(N)cn2)c1 ZINC000067789868 710991839 /nfs/dbraw/zinc/99/18/39/710991839.db2.gz RHRNZDGFPBTZKW-UHFFFAOYSA-N 0 0 203.220 2.173 50 0 BEAARN Cc1nc2sccc2c(NCC[C@@H](C)O)n1 ZINC000055568964 710922376 /nfs/dbraw/zinc/92/23/76/710922376.db2.gz KNJFYWWJMXMLAL-SSDOTTSWSA-N 0 0 237.328 2.183 50 0 BEAARN C[C@@H]1CCC[C@H](C)[N@H+]1C1CC(C(=O)[O-])C1 ZINC000725377691 711664627 /nfs/dbraw/zinc/66/46/27/711664627.db2.gz XANKEWWUYDOJKG-IXBNRNDTSA-N 0 0 211.305 2.113 50 0 BEAARN CC(C)C[NH+](CC(C)C)C1CC(C(=O)[O-])C1 ZINC000725377114 711664650 /nfs/dbraw/zinc/66/46/50/711664650.db2.gz IOSBPWFGOHZOAL-UHFFFAOYSA-N 0 0 227.348 2.464 50 0 BEAARN CCc1nc(NCc2ccc(F)c(F)c2)n[nH]1 ZINC000888095629 711754525 /nfs/dbraw/zinc/75/45/25/711754525.db2.gz VQZPWSAPPDSULU-UHFFFAOYSA-N 0 0 238.241 2.257 50 0 BEAARN Cc1cc(C(N)=S)ccc1Br ZINC000083357116 711809732 /nfs/dbraw/zinc/80/97/32/711809732.db2.gz CXFZNWLAZQWBFI-UHFFFAOYSA-N 0 0 230.130 2.392 50 0 BEAARN NN(CCc1ccccn1)c1ccccc1 ZINC000034132164 711948434 /nfs/dbraw/zinc/94/84/34/711948434.db2.gz SSAIUVODWPVVLV-UHFFFAOYSA-N 0 0 213.284 2.004 50 0 BEAARN CC[N@H+](Cc1ncccc1C(=O)[O-])C(C)C ZINC000065421218 711953861 /nfs/dbraw/zinc/95/38/61/711953861.db2.gz FYVQIVVOZQJJKQ-UHFFFAOYSA-N 0 0 222.288 2.010 50 0 BEAARN CCc1cc(NCc2cncc(F)c2)ncn1 ZINC000700803576 712006285 /nfs/dbraw/zinc/00/62/85/712006285.db2.gz DFQBSHAYEVSRAW-UHFFFAOYSA-N 0 0 232.262 2.185 50 0 BEAARN C/C=C/C(=O)NCc1cccnc1OCCCC ZINC000585145919 1166134605 /nfs/dbraw/zinc/13/46/05/1166134605.db2.gz DDVGDWDLINZEOK-QPJJXVBHSA-N 0 0 248.326 2.453 50 0 BEAARN Fc1cccnc1OC[C@@H]1CCCCO1 ZINC000585654975 973924155 /nfs/dbraw/zinc/92/41/55/973924155.db2.gz OZCDOIDZNTWXJY-VIFPVBQESA-N 0 0 211.236 2.169 50 0 BEAARN C=CC(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000952884947 974050305 /nfs/dbraw/zinc/05/03/05/974050305.db2.gz UZKVYHWJRKRVBV-UWVGGRQHSA-N 0 0 237.324 2.270 50 0 BEAARN C=CC(=O)N1CCSC[C@H]1c1ccc(C)o1 ZINC000952888341 974064509 /nfs/dbraw/zinc/06/45/09/974064509.db2.gz VTHDIZLWTLHEDL-JTQLQIEISA-N 0 0 237.324 2.391 50 0 BEAARN O=C(Nc1ccnnc1)c1ccoc1C1CC1 ZINC000585087171 972125138 /nfs/dbraw/zinc/12/51/38/972125138.db2.gz XGTBJHABJPXRFW-UHFFFAOYSA-N 0 0 229.239 2.199 50 0 BEAARN O=c1cccc(-c2noc(C3CCC3)n2)[nH]1 ZINC000585120524 972152329 /nfs/dbraw/zinc/15/23/29/972152329.db2.gz SVUSLPYGSDUKPB-UHFFFAOYSA-N 0 0 217.228 2.105 50 0 BEAARN CO[C@@H](C)[C@H](C)Sc1nnc(N(C)C)s1 ZINC000585133096 972168743 /nfs/dbraw/zinc/16/87/43/972168743.db2.gz SQDAPAIBOAFVRH-BQBZGAKWSA-N 0 0 247.389 2.120 50 0 BEAARN FC1=CCCN(Cc2ccc(Cl)nn2)C1 ZINC000585133442 972168766 /nfs/dbraw/zinc/16/87/66/972168766.db2.gz IDIBFKXCDZALDW-UHFFFAOYSA-N 0 0 227.670 2.189 50 0 BEAARN CCCCNC(=O)C(F)(F)C(F)(F)F ZINC000002831429 958883608 /nfs/dbraw/zinc/88/36/08/958883608.db2.gz WWYNROMKWUPSCK-UHFFFAOYSA-N 0 0 219.153 2.100 50 0 BEAARN CN(C)c1cc(N2CCc3ccccc32)ncn1 ZINC000585415092 960795047 /nfs/dbraw/zinc/79/50/47/960795047.db2.gz KMYGWMSOJCRZPY-UHFFFAOYSA-N 0 0 240.310 2.237 50 0 BEAARN CN1CC[C@H](n2ccnc2C2CCCCC2)C1=O ZINC000067894007 966390619 /nfs/dbraw/zinc/39/06/19/966390619.db2.gz DKKMKZSWOXCAEC-LBPRGKRZSA-N 0 0 247.342 2.334 50 0 BEAARN CC[C@H](OC)c1n[nH]c(COc2ccccc2)n1 ZINC000822650411 968529025 /nfs/dbraw/zinc/52/90/25/968529025.db2.gz WIGKUAVWCASMSC-NSHDSACASA-N 0 0 247.298 2.481 50 0 BEAARN CC[C@H]1C=CCN1C(=O)CSc1ccncc1 ZINC000822699277 968533595 /nfs/dbraw/zinc/53/35/95/968533595.db2.gz KQWFDWGRHQRGLH-NSHDSACASA-N 0 0 248.351 2.351 50 0 BEAARN Cc1cc(-c2ncnn2C2CCCCC2)n(C)n1 ZINC000825290490 968640089 /nfs/dbraw/zinc/64/00/89/968640089.db2.gz MFRJFYOYBUZHCW-UHFFFAOYSA-N 0 0 245.330 2.492 50 0 BEAARN CC(C)c1cnc(N(C)CC(C)(C)CO)nc1 ZINC000828655406 968797252 /nfs/dbraw/zinc/79/72/52/968797252.db2.gz SQRMCABQRYBZMU-UHFFFAOYSA-N 0 0 237.347 2.055 50 0 BEAARN Cc1cnc(CCNC(=O)CC(C)C)n1C1CC1 ZINC000581815561 969127115 /nfs/dbraw/zinc/12/71/15/969127115.db2.gz NLVBCNHMJRJNNY-UHFFFAOYSA-N 0 0 249.358 2.231 50 0 BEAARN CC1(C)C[C@@H]1C(=O)N(CCO)C1CCCCC1 ZINC000232803329 973110526 /nfs/dbraw/zinc/11/05/26/973110526.db2.gz SZLXXONEHJCQKQ-GFCCVEGCSA-N 0 0 239.359 2.186 50 0 BEAARN CCOC(=O)[C@H](N)Cc1csc2ccccc12 ZINC000044340497 973711131 /nfs/dbraw/zinc/71/11/31/973711131.db2.gz JFXATFHFXAOZDY-LLVKDONJSA-N 0 0 249.335 2.334 50 0 BEAARN Cn1c2ccccc2nc1OCC1CCOCC1 ZINC000585652026 973918706 /nfs/dbraw/zinc/91/87/06/973918706.db2.gz UUYSYVLGEFQKSY-UHFFFAOYSA-N 0 0 246.310 2.379 50 0 BEAARN CCOC(=O)c1cnn(CC)c1-c1ccncc1 ZINC000952882642 974063488 /nfs/dbraw/zinc/06/34/88/974063488.db2.gz HEMDJOIQLYPKEI-UHFFFAOYSA-N 0 0 245.282 2.142 50 0 BEAARN C=CC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000952888268 974067642 /nfs/dbraw/zinc/06/76/42/974067642.db2.gz QLDQYFRDWHIUJN-MWLCHTKSSA-N 0 0 237.324 2.223 50 0 BEAARN CCc1nc(-c2cc(C)ccc2OC)n(C)n1 ZINC001506413109 988778491 /nfs/dbraw/zinc/77/84/91/988778491.db2.gz HIDMAFXDZCNLMM-UHFFFAOYSA-N 0 0 231.299 2.362 50 0 BEAARN C[C@H](c1cccs1)N(C)C(=O)c1nccn1C ZINC001506415694 988781745 /nfs/dbraw/zinc/78/17/45/988781745.db2.gz ZUANZYIFKQQSKE-SECBINFHSA-N 0 0 249.339 2.315 50 0 BEAARN CNc1nc(NC(C2CC2)C2CC2)ncc1F ZINC001506423733 988783667 /nfs/dbraw/zinc/78/36/67/988783667.db2.gz HQRKFKDDDKPITG-UHFFFAOYSA-N 0 0 236.294 2.258 50 0 BEAARN CO[C@@H](C)c1ccc(-c2ccc(=O)n(C)n2)cc1 ZINC001506425946 988785204 /nfs/dbraw/zinc/78/52/04/988785204.db2.gz NXZFOGQRSZUMML-JTQLQIEISA-N 0 0 244.294 2.155 50 0 BEAARN CCc1c(C)noc1NC(=O)c1c(C)noc1C ZINC001529103491 990331490 /nfs/dbraw/zinc/33/14/90/990331490.db2.gz CJNWGXDQEFWDIS-UHFFFAOYSA-N 0 0 249.270 2.403 50 0 BEAARN CCn1nc(C)c([C@@H](C)Nc2cnccn2)c1C ZINC001529151222 990333384 /nfs/dbraw/zinc/33/33/84/990333384.db2.gz IJWISKBMJPRGNJ-SECBINFHSA-N 0 0 245.330 2.483 50 0 BEAARN OCC(F)(F)c1ccc(C(F)(F)F)nc1 ZINC001529596299 990356355 /nfs/dbraw/zinc/35/63/55/990356355.db2.gz GIXLDZYRJQXUQB-UHFFFAOYSA-N 0 0 227.132 2.185 50 0 BEAARN Cc1cc(C(=O)COC(=O)c2ccoc2)c(C)[nH]1 ZINC000022417256 136208527 /nfs/dbraw/zinc/20/85/27/136208527.db2.gz BYZBCQUDZASOKH-UHFFFAOYSA-N 0 0 247.250 2.264 50 0 BEAARN Cc1cc(C)n(C(=O)/C=C/c2ccco2)n1 ZINC000004628505 177920996 /nfs/dbraw/zinc/92/09/96/177920996.db2.gz PBBZGCSDORUAJZ-AATRIKPKSA-N 0 0 216.240 2.447 50 0 BEAARN Cc1cc(C)n(C2CN(Cc3cscn3)C2)n1 ZINC000071880620 177922737 /nfs/dbraw/zinc/92/27/37/177922737.db2.gz AYCRLFRPFYJXES-UHFFFAOYSA-N 0 0 248.355 2.013 50 0 BEAARN Cc1cc(C)n(Cc2nnc(C(C)(C)C)o2)n1 ZINC000098016418 177930797 /nfs/dbraw/zinc/93/07/97/177930797.db2.gz PWINGFMPLDALAE-UHFFFAOYSA-N 0 0 234.303 2.229 50 0 BEAARN O=C(/C=C\c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000033400824 398140838 /nfs/dbraw/zinc/14/08/38/398140838.db2.gz RXJKBEUFCXFTBD-DMTLFAOVSA-N 0 0 249.285 2.134 50 0 BEAARN OCCCN(Cc1ccncc1)c1ccccc1 ZINC000085955307 136211857 /nfs/dbraw/zinc/21/18/57/136211857.db2.gz PCANDTQGIYNJFU-UHFFFAOYSA-N 0 0 242.322 2.471 50 0 BEAARN Cc1csc(NC(=O)c2ccc(C)nc2)n1 ZINC000044895800 398147451 /nfs/dbraw/zinc/14/74/51/398147451.db2.gz DWADUQLJOQHMEM-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN CC(C)c1nnc2sc([C@H]3CCCO3)nn21 ZINC000071765360 398159255 /nfs/dbraw/zinc/15/92/55/398159255.db2.gz JFGZXRHUTABUGA-SSDOTTSWSA-N 0 0 238.316 2.161 50 0 BEAARN Cc1cc(CNC(=O)NC2CCCCC2)on1 ZINC000057773807 178013215 /nfs/dbraw/zinc/01/32/15/178013215.db2.gz KQZORDJIIXYWOG-UHFFFAOYSA-N 0 0 237.303 2.115 50 0 BEAARN Nc1ncnc2nc(C=Cc3ccccc3)[nH]c21 ZINC000004054010 398174914 /nfs/dbraw/zinc/17/49/14/398174914.db2.gz CGPWHCJQHWCRNO-VOTSOKGWSA-N 0 0 237.266 2.106 50 0 BEAARN Cc1cc(CNc2nncs2)c(C)o1 ZINC000096495308 178045372 /nfs/dbraw/zinc/04/53/72/178045372.db2.gz JHSDAWNBSHUFMJ-UHFFFAOYSA-N 0 0 209.274 2.360 50 0 BEAARN O=C1C2CCN(CC2)[C@H]1Cc1ccccc1F ZINC000072117202 398177650 /nfs/dbraw/zinc/17/76/50/398177650.db2.gz DSYKXBLWNRQMSL-ZDUSSCGKSA-N 0 0 233.286 2.032 50 0 BEAARN Cc1cc(COC(=O)c2cc(Cl)c[nH]2)no1 ZINC000025199658 178047432 /nfs/dbraw/zinc/04/74/32/178047432.db2.gz IFFAOIZTNYDDCA-UHFFFAOYSA-N 0 0 240.646 2.322 50 0 BEAARN Cc1cc(COC(=O)[C@H]2C[C@@H]2c2ccco2)on1 ZINC000095956280 178047909 /nfs/dbraw/zinc/04/79/09/178047909.db2.gz WMTUWMBEHGCGAV-QWRGUYRKSA-N 0 0 247.250 2.423 50 0 BEAARN Cc1cc(COC(=O)c2ccc(O)cc2)no1 ZINC000007745898 178048014 /nfs/dbraw/zinc/04/80/14/178048014.db2.gz LQDSBNSKCJINLJ-UHFFFAOYSA-N 0 0 233.223 2.046 50 0 BEAARN Cc1cc(CSc2nncn2C2CC2)no1 ZINC000040485846 178053737 /nfs/dbraw/zinc/05/37/37/178053737.db2.gz CLRUSWLJCOQCCV-UHFFFAOYSA-N 0 0 236.300 2.202 50 0 BEAARN Cc1cccc2ncnc(N3CCCCN3)c12 ZINC000240912278 398159951 /nfs/dbraw/zinc/15/99/51/398159951.db2.gz IXCPLWUBFGSEFZ-UHFFFAOYSA-N 0 0 228.299 2.043 50 0 BEAARN Cc1cc(Cl)ccc1CNc1ncnn1C ZINC000162195457 178067528 /nfs/dbraw/zinc/06/75/28/178067528.db2.gz MGDNWACWASVTJU-UHFFFAOYSA-N 0 0 236.706 2.389 50 0 BEAARN O=C(C/C=C/c1cccc(F)c1)N1CCC1 ZINC000336351040 398165780 /nfs/dbraw/zinc/16/57/80/398165780.db2.gz KDPAGIAYNAZPEG-GORDUTHDSA-N 0 0 219.259 2.461 50 0 BEAARN CCC(CC)C(=O)NCCn1nc(C)cc1C ZINC000044158718 168337705 /nfs/dbraw/zinc/33/77/05/168337705.db2.gz GMJPPSMYYFSKKQ-UHFFFAOYSA-N 0 0 237.347 2.052 50 0 BEAARN CCC(CC)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004156403 168338376 /nfs/dbraw/zinc/33/83/76/168338376.db2.gz HHZOLVJKOWONFI-UHFFFAOYSA-N 0 0 249.310 2.468 50 0 BEAARN Cc1cc(N)ccc1NC(=O)c1ccco1 ZINC000000156747 178105326 /nfs/dbraw/zinc/10/53/26/178105326.db2.gz KYIFBTMTQXRRCU-UHFFFAOYSA-N 0 0 216.240 2.423 50 0 BEAARN Cc1cc(N)n(-c2cc(F)cc(F)c2)n1 ZINC000044920457 178108347 /nfs/dbraw/zinc/10/83/47/178108347.db2.gz AZUXSDNKBBJXSB-UHFFFAOYSA-N 0 0 209.199 2.041 50 0 BEAARN Cc1cc(N)nc(C)c1Br ZINC000025724280 178108886 /nfs/dbraw/zinc/10/88/86/178108886.db2.gz BFRMYMFNSHASRJ-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 in-vitro BEAARN Cc1cc(N)nc(Nc2cccc([C@H](C)O)c2)n1 ZINC000075156674 178109909 /nfs/dbraw/zinc/10/99/09/178109909.db2.gz OYEZOJTUAZFUAP-VIFPVBQESA-N 0 0 244.298 2.164 50 0 BEAARN Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)nc(C)n1 ZINC000095410697 178122823 /nfs/dbraw/zinc/12/28/23/178122823.db2.gz XQMSLJCPUKNHFK-TXEJJXNPSA-N 0 0 217.316 2.330 50 0 BEAARN Cc1cc(NC(=O)/C=C/c2ccc(C)o2)n(C)n1 ZINC000040072592 178123267 /nfs/dbraw/zinc/12/32/67/178123267.db2.gz AWQHDUPNJAMWGQ-VOTSOKGWSA-N 0 0 245.282 2.282 50 0 BEAARN Cc1cc(NC(=O)/C=C/c2ccncc2)ccn1 ZINC000072281116 178124330 /nfs/dbraw/zinc/12/43/30/178124330.db2.gz JOIVKOOMIJZYNY-NSCUHMNNSA-N 0 0 239.278 2.437 50 0 BEAARN Cc1cc(NC(=O)/C=C\c2ccccc2)n(C)n1 ZINC000046015610 178124354 /nfs/dbraw/zinc/12/43/54/178124354.db2.gz LCRZSUDXXSVHRJ-HJWRWDBZSA-N 0 0 241.294 2.380 50 0 BEAARN Cc1cc(NC(=O)CSc2ccccc2)n[nH]1 ZINC000048602405 178131947 /nfs/dbraw/zinc/13/19/47/178131947.db2.gz UIQHFKVHNRIVPE-UHFFFAOYSA-N 0 0 247.323 2.449 50 0 BEAARN Cc1cc(NC(=O)NC2CCCCC2)no1 ZINC000002755407 178139235 /nfs/dbraw/zinc/13/92/35/178139235.db2.gz RNYMJCQMULOVSC-UHFFFAOYSA-N 0 0 223.276 2.437 50 0 BEAARN Cc1cc(NC(=O)CNc2cccc(F)c2)on1 ZINC000024225100 178132597 /nfs/dbraw/zinc/13/25/97/178132597.db2.gz ZVPOHTNXQQZJHB-UHFFFAOYSA-N 0 0 249.245 2.173 50 0 BEAARN Cc1cc(NC(=O)CNc2ccccc2F)no1 ZINC000013987316 178132613 /nfs/dbraw/zinc/13/26/13/178132613.db2.gz ZJGSYVJYZGKMPY-UHFFFAOYSA-N 0 0 249.245 2.173 50 0 BEAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](C)C1 ZINC000074684192 398207337 /nfs/dbraw/zinc/20/73/37/398207337.db2.gz GTVMJMTYAKHXRT-SNVBAGLBSA-N 0 0 249.358 2.218 50 0 BEAARN Cc1cc(NC(=O)Cc2ccccc2F)n[nH]1 ZINC000048602453 178134783 /nfs/dbraw/zinc/13/47/83/178134783.db2.gz LUSILUDRIAISMC-UHFFFAOYSA-N 0 0 233.246 2.038 50 0 BEAARN Cc1cc(NC(=O)NCc2ccc(F)cc2)no1 ZINC000009885432 178140240 /nfs/dbraw/zinc/14/02/40/178140240.db2.gz PSDFSKHSHNUYIY-UHFFFAOYSA-N 0 0 249.245 2.444 50 0 BEAARN Cc1cc(NC(=O)NCc2ccccc2F)no1 ZINC000009218279 178141304 /nfs/dbraw/zinc/14/13/04/178141304.db2.gz AJNNEIGRFUWTTQ-UHFFFAOYSA-N 0 0 249.245 2.444 50 0 BEAARN Cc1cc(NC(=O)c2cc(C)oc2C)on1 ZINC000000148117 178150119 /nfs/dbraw/zinc/15/01/19/178150119.db2.gz HMRGFGODYOZJFI-UHFFFAOYSA-N 0 0 220.228 2.445 50 0 BEAARN Cc1cc(NC(=O)c2ccc(N(C)C)cc2)no1 ZINC000000189373 178150201 /nfs/dbraw/zinc/15/02/01/178150201.db2.gz BFIGUNGDNUFZII-UHFFFAOYSA-N 0 0 245.282 2.301 50 0 BEAARN Cc1cc(NC(=O)c2ccncc2)sn1 ZINC000044454753 178151393 /nfs/dbraw/zinc/15/13/93/178151393.db2.gz KESCINFHDGPNLV-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1cc(NC(N)=O)ccc1Br ZINC000001853755 178153448 /nfs/dbraw/zinc/15/34/48/178153448.db2.gz CRGNBCADENCADB-UHFFFAOYSA-N 0 0 229.077 2.248 50 0 BEAARN Cc1cc2ncnn2c(NC2CCCC2)c1 ZINC000035047926 178155293 /nfs/dbraw/zinc/15/52/93/178155293.db2.gz YLNYFEJGYZZPAG-UHFFFAOYSA-N 0 0 216.288 2.392 50 0 BEAARN COC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000074941760 398210955 /nfs/dbraw/zinc/21/09/55/398210955.db2.gz HKVSCLALMNQAIN-UHFFFAOYSA-N 0 0 244.250 2.401 50 0 BEAARN Cc1cc(NCCc2ccccc2)ncn1 ZINC000011902794 178163417 /nfs/dbraw/zinc/16/34/17/178163417.db2.gz WGVKMDLFHPQJBO-UHFFFAOYSA-N 0 0 213.284 2.440 50 0 BEAARN Cc1cc(Nc2ccc(F)cc2)nc(N)n1 ZINC000004038304 178192314 /nfs/dbraw/zinc/19/23/14/178192314.db2.gz HKTGXWUYYLHKOA-UHFFFAOYSA-N 0 0 218.235 2.250 50 0 BEAARN C[C@H](C1CCC1)N(C)C(=O)C1=CCCCO1 ZINC000170591486 361755255 /nfs/dbraw/zinc/75/52/55/361755255.db2.gz PRZUSGUZKGPCGX-SNVBAGLBSA-N 0 0 223.316 2.328 50 0 BEAARN Cc1cc(OCCO)cc(C)c1Cl ZINC000001627249 178210745 /nfs/dbraw/zinc/21/07/45/178210745.db2.gz UZXFXOSXXYLVMI-UHFFFAOYSA-N 0 0 200.665 2.328 50 0 BEAARN Cc1cc(OCc2ccccn2)nnc1C ZINC000120233937 178213030 /nfs/dbraw/zinc/21/30/30/178213030.db2.gz OQGPATWTLTXLDI-UHFFFAOYSA-N 0 0 215.256 2.067 50 0 BEAARN Cc1cc(S(=O)(=O)NCC(C)C)ccc1F ZINC000036638882 178217416 /nfs/dbraw/zinc/21/74/16/178217416.db2.gz SXVAALXDEIMPAN-UHFFFAOYSA-N 0 0 245.319 2.068 50 0 BEAARN Cc1cc([C@@H](O)c2cc(C)n(C)n2)cs1 ZINC000300889472 178239681 /nfs/dbraw/zinc/23/96/81/178239681.db2.gz MIQJVAIMTZULLS-LLVKDONJSA-N 0 0 222.313 2.180 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)NC(C)C)no1 ZINC000042838973 178240975 /nfs/dbraw/zinc/24/09/75/178240975.db2.gz LQSPTUWTWJUGIJ-NSHDSACASA-N 0 0 237.303 2.238 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)C2CC2)no1 ZINC000044633319 178241364 /nfs/dbraw/zinc/24/13/64/178241364.db2.gz RRDLULWCAGZNQO-NSHDSACASA-N 0 0 220.272 2.057 50 0 BEAARN O=C(/C=C/c1ccc[nH]1)OCc1cccnc1 ZINC000170602846 361788860 /nfs/dbraw/zinc/78/88/60/361788860.db2.gz BWONBKPLRGSGOC-AATRIKPKSA-N 0 0 228.251 2.166 50 0 BEAARN CC1(C)CC[C@@H](COC(=O)c2cscn2)O1 ZINC000170611846 361805233 /nfs/dbraw/zinc/80/52/33/361805233.db2.gz KWMICGSLYXHLLS-QMMMGPOBSA-N 0 0 241.312 2.258 50 0 BEAARN C[C@@H](NC(=O)c1ccoc1)c1ccncc1 ZINC000022622135 538939229 /nfs/dbraw/zinc/93/92/29/538939229.db2.gz ZHEFICOBULQWGQ-SECBINFHSA-N 0 0 216.240 2.166 50 0 BEAARN Cc1cc2c(cc1C)-c1nnnn1C(C)(C)C2 ZINC000000334191 178284352 /nfs/dbraw/zinc/28/43/52/178284352.db2.gz YDJJMCJGWZVWJF-UHFFFAOYSA-N 0 0 228.299 2.248 50 0 BEAARN Cc1nnc([C@H](C)Nc2cnn(C(C)C)c2)o1 ZINC000097140058 398245295 /nfs/dbraw/zinc/24/52/95/398245295.db2.gz OBDYRUWTUIQGJL-QMMMGPOBSA-N 0 0 235.291 2.329 50 0 BEAARN CCOc1cccc(NC(=O)NCC2CC2)n1 ZINC000097143226 398245005 /nfs/dbraw/zinc/24/50/05/398245005.db2.gz OJISFGIKJCYAST-UHFFFAOYSA-N 0 0 235.287 2.012 50 0 BEAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000002537052 178299642 /nfs/dbraw/zinc/29/96/42/178299642.db2.gz YWWJNWUVNHXUKS-FSPLSTOPSA-N 0 0 219.210 2.499 50 0 BEAARN Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)F)N2 ZINC000225332053 178300651 /nfs/dbraw/zinc/30/06/51/178300651.db2.gz MTKXADUJQZQLQK-BQBZGAKWSA-N 0 0 201.220 2.202 50 0 BEAARN Cc1cc2cc(NS(C)(=O)=O)c(C)cc2o1 ZINC000011615804 178295317 /nfs/dbraw/zinc/29/53/17/178295317.db2.gz ZKMAJCSTIQMPBS-UHFFFAOYSA-N 0 0 239.296 2.421 50 0 BEAARN Cc1cc2nsnc2c2nsnc21 ZINC000000338410 178307400 /nfs/dbraw/zinc/30/74/00/178307400.db2.gz XDDZFQNDSCVUES-UHFFFAOYSA-N 0 0 208.271 2.004 50 0 BEAARN Cc1cc[nH]c1C(=O)N1CCC=C(F)C1 ZINC000281276313 178311094 /nfs/dbraw/zinc/31/10/94/178311094.db2.gz LOTAEEDAZGNOEM-UHFFFAOYSA-N 0 0 208.236 2.022 50 0 BEAARN Cc1ccc(CNC(=O)c2ccoc2C)n1C ZINC000023575370 538944595 /nfs/dbraw/zinc/94/45/95/538944595.db2.gz CLXYJIGTKVVATC-UHFFFAOYSA-N 0 0 232.283 2.165 50 0 BEAARN Cc1ccc(-c2nnc(N)s2)c(C)c1 ZINC000003716272 178340479 /nfs/dbraw/zinc/34/04/79/178340479.db2.gz LUGKVXLLEIAWIU-UHFFFAOYSA-N 0 0 205.286 2.404 50 0 BEAARN Cc1ccc(-c2nnc([C@H](C)N)o2)cc1 ZINC000011586091 178341434 /nfs/dbraw/zinc/34/14/34/178341434.db2.gz AQKMPBWENKHDTO-QMMMGPOBSA-N 0 0 203.245 2.065 50 0 BEAARN Cc1ccc(-c2noc([C@H](C)N)n2)cc1 ZINC000015417118 178343589 /nfs/dbraw/zinc/34/35/89/178343589.db2.gz DQVGKSKROOPQQB-QMMMGPOBSA-N 0 0 203.245 2.065 50 0 BEAARN CCc1ccc(C(=O)Nc2cccnc2)o1 ZINC000024962823 538946784 /nfs/dbraw/zinc/94/67/84/538946784.db2.gz HXUQLTRWOSXDQR-UHFFFAOYSA-N 0 0 216.240 2.489 50 0 BEAARN Cc1ccc(-c2nsc(N)n2)cc1F ZINC000012336609 178344418 /nfs/dbraw/zinc/34/44/18/178344418.db2.gz XJEDTOZNDHWOCQ-UHFFFAOYSA-N 0 0 209.249 2.235 50 0 BEAARN O=C(NC[C@@H]1CC12CC2)[C@@H]1CCC(F)(F)C1 ZINC000335255029 343996072 /nfs/dbraw/zinc/99/60/72/343996072.db2.gz GAUXLGZOKNXSCI-BDAKNGLRSA-N 0 0 229.270 2.338 50 0 BEAARN Cc1ccc(-n2nc3ccc(N)cc3n2)cc1 ZINC000000123063 178348667 /nfs/dbraw/zinc/34/86/67/178348667.db2.gz NGXPIIYFSDAXOU-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN Cc1ccc(-c2csc(N)c2C(N)=O)cc1 ZINC000002584882 178330648 /nfs/dbraw/zinc/33/06/48/178330648.db2.gz RIUTZZDIMOSAOG-UHFFFAOYSA-N 0 0 232.308 2.405 50 0 BEAARN Cc1ccc(Br)cc1CO ZINC000039366544 178362343 /nfs/dbraw/zinc/36/23/43/178362343.db2.gz CXASFBKJNJSOAI-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN Cc1ccc(/C=C/C(=O)Nc2nncs2)cc1 ZINC000005539904 178354443 /nfs/dbraw/zinc/35/44/43/178354443.db2.gz TUHXATQMBUWWEZ-VOTSOKGWSA-N 0 0 245.307 2.498 50 0 BEAARN Cc1ccc(/C=C/C(=O)Nc2ncccn2)cc1 ZINC000000474629 178354970 /nfs/dbraw/zinc/35/49/70/178354970.db2.gz CFXZYJPFJYGBDL-BQYQJAHWSA-N 0 0 239.278 2.437 50 0 BEAARN C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccc1F ZINC000032983365 538951041 /nfs/dbraw/zinc/95/10/41/538951041.db2.gz OCRYRBJMHLRCEV-SKDRFNHKSA-N 0 0 237.274 2.182 50 0 BEAARN Cc1ccc2c(c1)S[C@@H](C(=O)N(C)C)C2 ZINC000032904171 538951043 /nfs/dbraw/zinc/95/10/43/538951043.db2.gz PPNSJCMRJVSDOI-LLVKDONJSA-N 0 0 221.325 2.100 50 0 BEAARN C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1F ZINC000032983367 538951051 /nfs/dbraw/zinc/95/10/51/538951051.db2.gz OCRYRBJMHLRCEV-CABZTGNLSA-N 0 0 237.274 2.182 50 0 BEAARN Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000016648760 178379928 /nfs/dbraw/zinc/37/99/28/178379928.db2.gz HKYDNEFUCHUNAE-KGLIPLIRSA-N 0 0 247.338 2.371 50 0 BEAARN CC(=O)Nc1ccnn1C1CCCCC1 ZINC000032969266 538951352 /nfs/dbraw/zinc/95/13/52/538951352.db2.gz XDEVZTKQPUMOOT-UHFFFAOYSA-N 0 0 207.277 2.347 50 0 BEAARN Cc1ccc(C(=O)N2CCCCCCC2)c(=O)[nH]1 ZINC000098008825 178385715 /nfs/dbraw/zinc/38/57/15/178385715.db2.gz ONKNRCGXKPCYRU-UHFFFAOYSA-N 0 0 248.326 2.090 50 0 BEAARN Cc1ccc(C(=O)N2CCCC2)cc1F ZINC000012973919 178386027 /nfs/dbraw/zinc/38/60/27/178386027.db2.gz HHJCUUXLBYLOIE-UHFFFAOYSA-N 0 0 207.248 2.370 50 0 BEAARN C[C@@]1(c2ccncc2)Nc2ccccc2C(=O)N1 ZINC000032666120 538950452 /nfs/dbraw/zinc/95/04/52/538950452.db2.gz LMMCMMIOPGEWKR-CQSZACIVSA-N 0 0 239.278 2.110 50 0 BEAARN Cc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000000458421 178391752 /nfs/dbraw/zinc/39/17/52/178391752.db2.gz IYEYKPFZLBXQQM-UHFFFAOYSA-N 0 0 239.702 2.121 50 0 BEAARN Cc1ccc(C(=O)N2CCSC2)cc1 ZINC000071847169 178394228 /nfs/dbraw/zinc/39/42/28/178394228.db2.gz GLIDPXFCJJXPNG-UHFFFAOYSA-N 0 0 207.298 2.142 50 0 BEAARN Cc1ccc(C(=O)N2CCO[C@@H](C)C2)c(C)c1 ZINC000032865152 178394388 /nfs/dbraw/zinc/39/43/88/178394388.db2.gz WWCGAYDRLCTDNR-LBPRGKRZSA-N 0 0 233.311 2.164 50 0 BEAARN Cc1ccc(C(=O)N2CCC[C@@H]2CF)o1 ZINC000294007512 178389866 /nfs/dbraw/zinc/38/98/66/178389866.db2.gz IJCQPFHRKNEVFH-SECBINFHSA-N 0 0 211.236 2.162 50 0 BEAARN Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1C ZINC000000029941 178413721 /nfs/dbraw/zinc/41/37/21/178413721.db2.gz WETOSEPOHBIQKK-CYBMUJFWSA-N 0 0 233.311 2.212 50 0 BEAARN Cc1[nH]nc2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000035171211 538956086 /nfs/dbraw/zinc/95/60/86/538956086.db2.gz PUHNLYSHEKARDO-MRVPVSSYSA-N 0 0 233.296 2.254 50 0 BEAARN Nc1nc2c(s1)CCc1ccccc1-2 ZINC000000079899 342672972 /nfs/dbraw/zinc/67/29/72/342672972.db2.gz RKFXIXZWTWCVBR-UHFFFAOYSA-N 0 0 202.282 2.491 50 0 BEAARN Cc1cc(C)nc(NC(=O)Cc2cccs2)n1 ZINC000000087807 342673716 /nfs/dbraw/zinc/67/37/16/342673716.db2.gz MNSBXORGJMKKNZ-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN Cc1cc(-c2noc(C(C)(C)C)n2)no1 ZINC000000123455 342675761 /nfs/dbraw/zinc/67/57/61/342675761.db2.gz QUSCPBCBQQAVCE-UHFFFAOYSA-N 0 0 207.233 2.331 50 0 BEAARN COc1cc(C)nc(-c2csc(C)n2)n1 ZINC000000123719 342675791 /nfs/dbraw/zinc/67/57/91/342675791.db2.gz XONAKBGATPKFCJ-UHFFFAOYSA-N 0 0 221.285 2.226 50 0 BEAARN CC(=O)N[C@H](c1ccc(Cl)cc1)n1ccnc1 ZINC000000134061 342676382 /nfs/dbraw/zinc/67/63/82/342676382.db2.gz HGVICGBANWNCQY-LBPRGKRZSA-N 0 0 249.701 2.220 50 0 BEAARN Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000141883 342676619 /nfs/dbraw/zinc/67/66/19/342676619.db2.gz YBUXKQSCKVQATK-UHFFFAOYSA-N 0 0 248.307 2.070 50 0 in-man BEAARN Cc1cc(C)nc(NCc2cccnc2)n1 ZINC000000150085 342677469 /nfs/dbraw/zinc/67/74/69/342677469.db2.gz WISGCXYXGWFJDH-UHFFFAOYSA-N 0 0 214.272 2.101 50 0 BEAARN Cc1ccc(C)n1N1C(=O)c2ccccc2C1=O ZINC000000160758 342678477 /nfs/dbraw/zinc/67/84/77/342678477.db2.gz RVUWZDRJNKQOIG-UHFFFAOYSA-N 0 0 240.262 2.037 50 0 BEAARN O=C1CCC(=O)N1c1cccc2ccccc21 ZINC000000222404 342680538 /nfs/dbraw/zinc/68/05/38/342680538.db2.gz NIJWNEHRVSLYJB-UHFFFAOYSA-N 0 0 225.247 2.493 50 0 BEAARN Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000000225985 342680728 /nfs/dbraw/zinc/68/07/28/342680728.db2.gz XGFGZUUXMPLFHH-UHFFFAOYSA-N 0 0 228.251 2.227 50 0 BEAARN Cc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000000248714 342681343 /nfs/dbraw/zinc/68/13/43/342681343.db2.gz RAZPIHGOBANJIH-UHFFFAOYSA-N 0 0 245.278 2.214 50 0 BEAARN CCCc1nnc(NC(=O)C(C)C)s1 ZINC000000322867 342683324 /nfs/dbraw/zinc/68/33/24/342683324.db2.gz HASAUSUTMVKVQQ-UHFFFAOYSA-N 0 0 213.306 2.085 50 0 BEAARN CN1C(=O)N(c2ccccc2)[C@](C)(NO)C1(C)C ZINC000000333340 342683547 /nfs/dbraw/zinc/68/35/47/342683547.db2.gz WINOGKPMCTWWGX-ZDUSSCGKSA-N 0 0 249.314 2.032 50 0 BEAARN c1ccc2c(c1)CC1(CCCC1)n1nnnc1-2 ZINC000000334187 342683568 /nfs/dbraw/zinc/68/35/68/342683568.db2.gz QNWUNSOOORTWDJ-UHFFFAOYSA-N 0 0 226.283 2.166 50 0 BEAARN CC(C)(C)c1cc(C(C)(C)C)[n+]([O-])cn1 ZINC000000331412 342683579 /nfs/dbraw/zinc/68/35/79/342683579.db2.gz SHHABCRBTQJREI-UHFFFAOYSA-N 0 0 208.305 2.310 50 0 BEAARN Nc1n[nH]c2c1cccc2C(F)(F)F ZINC000000332243 342683694 /nfs/dbraw/zinc/68/36/94/342683694.db2.gz RLNKCXFTRPDGAP-UHFFFAOYSA-N 0 0 201.151 2.164 50 0 BEAARN C=Cn1ccnc1[C@@H](O)c1ccc(C)cc1 ZINC000000335608 342683786 /nfs/dbraw/zinc/68/37/86/342683786.db2.gz HXAFPTPHVXHNSL-LBPRGKRZSA-N 0 0 214.268 2.374 50 0 BEAARN CCSc1nnc(NC(=O)C(C)C)s1 ZINC000000363111 342684808 /nfs/dbraw/zinc/68/48/08/342684808.db2.gz QYCIIGMTKWAOKM-UHFFFAOYSA-N 0 0 231.346 2.245 50 0 BEAARN O=C(Oc1ccccn1)c1cccs1 ZINC000000375733 342685510 /nfs/dbraw/zinc/68/55/10/342685510.db2.gz FDFYMYMTXXSBJM-UHFFFAOYSA-N 0 0 205.238 2.362 50 0 BEAARN Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000000381795 342685640 /nfs/dbraw/zinc/68/56/40/342685640.db2.gz MIHLCBDTDZSJDS-UHFFFAOYSA-N 0 0 240.306 2.241 50 0 BEAARN Fc1ccc(I)cc1 ZINC000000407030 342687075 /nfs/dbraw/zinc/68/70/75/342687075.db2.gz KGNQDBQYEBMPFZ-UHFFFAOYSA-N 0 0 222.000 2.430 50 0 BEAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000000454510 342687824 /nfs/dbraw/zinc/68/78/24/342687824.db2.gz KNJLFZBLGQJBRZ-UHFFFAOYSA-N 0 0 241.356 2.334 50 0 BEAARN CCS(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000000476293 342688359 /nfs/dbraw/zinc/68/83/59/342688359.db2.gz AUPXDCAXHZFQJX-UHFFFAOYSA-N 0 0 213.302 2.065 50 0 BEAARN CC[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000478683 342688669 /nfs/dbraw/zinc/68/86/69/342688669.db2.gz TUZSOGIKSSQALH-BREXMAIKSA-N 0 0 247.294 2.343 50 0 BEAARN O=C(c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000000006311 342669644 /nfs/dbraw/zinc/66/96/44/342669644.db2.gz BXBNADAPIHHXJQ-UHFFFAOYSA-N 0 0 233.267 2.041 50 0 in-vitro BEAARN O=C(c1ccco1)N1CCc2ccccc2C1 ZINC000000030000 342669934 /nfs/dbraw/zinc/66/99/34/342669934.db2.gz MLZMVIJXSGFIGW-UHFFFAOYSA-N 0 0 227.263 2.478 50 0 BEAARN Nc1nc(Cl)cc(-c2ccccc2)n1 ZINC000000039987 342670947 /nfs/dbraw/zinc/67/09/47/342670947.db2.gz FIPBRZXDWSODDX-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN CC1(C)C[C@@H]1C(=O)NCc1ccccc1 ZINC000000046016 342671255 /nfs/dbraw/zinc/67/12/55/342671255.db2.gz ITZAERWYGNBLCF-LLVKDONJSA-N 0 0 203.285 2.349 50 0 BEAARN Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000057367 342672051 /nfs/dbraw/zinc/67/20/51/342672051.db2.gz XOZLRRYPUKAKMU-UHFFFAOYSA-N 0 0 245.326 2.305 50 0 world BEAARN COC(=O)COc1ccc(Cl)cc1C ZINC000000556501 342690077 /nfs/dbraw/zinc/69/00/77/342690077.db2.gz VWERIRLJUWTNDA-UHFFFAOYSA-N 0 0 214.648 2.200 50 0 BEAARN Cc1ccc(Nc2nnns2)cc1C ZINC000000573494 342690502 /nfs/dbraw/zinc/69/05/02/342690502.db2.gz BKWVMZQRTBPOBK-UHFFFAOYSA-N 0 0 206.274 2.294 50 0 BEAARN Cc1cc(C=O)c(C)n1C[C@@H]1CCCO1 ZINC000000807208 342692972 /nfs/dbraw/zinc/69/29/72/342692972.db2.gz CUEZTQJBZXOTCJ-LBPRGKRZSA-N 0 0 207.273 2.096 50 0 BEAARN O=C([O-])[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000810223 342693057 /nfs/dbraw/zinc/69/30/57/342693057.db2.gz XPRRFTHGWKHATR-LBPRGKRZSA-N 0 0 219.284 2.298 50 0 BEAARN O=C(Oc1ccccc1)n1nnc2ccccc21 ZINC000000837263 342693597 /nfs/dbraw/zinc/69/35/97/342693597.db2.gz JSTOAGAFYLBMKF-UHFFFAOYSA-N 0 0 239.234 2.478 50 0 BEAARN CSc1nnnn1-c1ccc(Cl)cc1 ZINC000001050991 342696231 /nfs/dbraw/zinc/69/62/31/342696231.db2.gz SIOLXMFTUFTBDZ-UHFFFAOYSA-N 0 0 226.692 2.038 50 0 BEAARN Cc1ccc(COc2coc(CO)cc2=O)cc1 ZINC000001386513 342699418 /nfs/dbraw/zinc/69/94/18/342699418.db2.gz UUGYSJYNNDNYTN-UHFFFAOYSA-N 0 0 246.262 2.020 50 0 BEAARN Cc1ccc(N2NC(C)(C)NC2=S)cc1C ZINC000001441816 342701101 /nfs/dbraw/zinc/70/11/01/342701101.db2.gz FOSKZVPFYBOAMF-UHFFFAOYSA-N 0 0 235.356 2.239 50 0 BEAARN Cc1ccc(NN)c(Br)c1 ZINC000001601401 342705435 /nfs/dbraw/zinc/70/54/35/342705435.db2.gz UVGAXOGYWXOXKO-UHFFFAOYSA-N 0 0 201.067 2.043 50 0 BEAARN C/C=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1 ZINC000001649947 342707085 /nfs/dbraw/zinc/70/70/85/342707085.db2.gz DCVIMWRFFDRWJM-GSQGTZRGSA-N 0 0 231.251 2.283 50 0 BEAARN C[NH+](C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000002044675 342715342 /nfs/dbraw/zinc/71/53/42/342715342.db2.gz MNNZTQAXBCVWKK-SECBINFHSA-N 0 0 213.664 2.027 50 0 BEAARN CC[C@@H](C)NC(=O)COc1ccc(C)cc1 ZINC000002165833 342716436 /nfs/dbraw/zinc/71/64/36/342716436.db2.gz QQEBDXDWFLUKNT-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN NNc1[nH+]cc(Cl)cc1C(F)(F)F ZINC000002170052 342716502 /nfs/dbraw/zinc/71/65/02/342716502.db2.gz OYDFLZYOHRCSAV-UHFFFAOYSA-N 0 0 211.574 2.039 50 0 BEAARN Cc1c(N)cc(Br)cc1F ZINC000002243130 342717311 /nfs/dbraw/zinc/71/73/11/342717311.db2.gz WZOCIQQLMNJJSE-UHFFFAOYSA-N 0 0 204.042 2.479 50 0 BEAARN C[C@@H]1[C@H]2CC[C@]1(c1ccccc1)C(=O)O2 ZINC000004023528 342741063 /nfs/dbraw/zinc/74/10/63/342741063.db2.gz LNMNSKLQCMUAGQ-XWIASGKRSA-N 0 0 202.253 2.280 50 0 BEAARN Cc1cc(Br)cn2ccnc12 ZINC000004024446 342741073 /nfs/dbraw/zinc/74/10/73/342741073.db2.gz FUGACMZCEQHBIU-UHFFFAOYSA-N 0 0 211.062 2.405 50 0 BEAARN CC1(C)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000004203355 342744057 /nfs/dbraw/zinc/74/40/57/342744057.db2.gz YLHKSZFLQXTQKA-GFCCVEGCSA-N 0 0 233.311 2.229 50 0 BEAARN CC(C)(C)OC(=O)NCc1cccc(CO)c1 ZINC000004287717 342746038 /nfs/dbraw/zinc/74/60/38/342746038.db2.gz QNDFFICIIGQGDV-UHFFFAOYSA-N 0 0 237.299 2.204 50 0 BEAARN CC(C)(C)SCCSc1nc[nH]n1 ZINC000253393440 398279300 /nfs/dbraw/zinc/27/93/00/398279300.db2.gz HHEKAHNRJOPHGM-UHFFFAOYSA-N 0 0 217.363 2.429 50 0 BEAARN COC(=O)c1scc(C)c1NC(=O)C1CC1 ZINC000004324089 342746775 /nfs/dbraw/zinc/74/67/75/342746775.db2.gz AWMHQIBMFGFJPX-UHFFFAOYSA-N 0 0 239.296 2.192 50 0 BEAARN Clc1cccc(Cl)c1CNc1nn[nH]n1 ZINC000004480775 342748377 /nfs/dbraw/zinc/74/83/77/342748377.db2.gz GMIWSBAZMSOVEZ-UHFFFAOYSA-N 0 0 244.085 2.119 50 0 BEAARN Cc1nnc2n1N=C(c1ccc(C)cc1)CS2 ZINC000004518215 342748549 /nfs/dbraw/zinc/74/85/49/342748549.db2.gz YXAUXEVLMGLVLJ-UHFFFAOYSA-N 0 0 244.323 2.253 50 0 BEAARN Fc1c(F)c(F)c2c(c1F)OCCO2 ZINC000004533117 342748958 /nfs/dbraw/zinc/74/89/58/342748958.db2.gz KKPOQYDRSXVVEJ-UHFFFAOYSA-N 0 0 208.110 2.014 50 0 BEAARN O=C1CC(=O)CC(c2ccccc2F)C1 ZINC000002518191 342722247 /nfs/dbraw/zinc/72/22/47/342722247.db2.gz RMEWCTHODLROAM-UHFFFAOYSA-N 0 0 206.216 2.231 50 0 BEAARN CCOc1cccc(/C=C/[N+](=O)[O-])c1O ZINC000002528159 342722649 /nfs/dbraw/zinc/72/26/49/342722649.db2.gz IYDHELOQZJRCML-VOTSOKGWSA-N 0 0 209.201 2.038 50 0 BEAARN CCOc1cc(N)ccc1OC(F)F ZINC000002536952 342723384 /nfs/dbraw/zinc/72/33/84/342723384.db2.gz VHQPLOXJAZUAOY-UHFFFAOYSA-N 0 0 203.188 2.269 50 0 BEAARN CC(C)(C)OC(=O)c1ccc(CO)cc1 ZINC000002540668 342723518 /nfs/dbraw/zinc/72/35/18/342723518.db2.gz MGMZECMXYCZYSQ-UHFFFAOYSA-N 0 0 208.257 2.134 50 0 BEAARN CC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000002562553 342724355 /nfs/dbraw/zinc/72/43/55/342724355.db2.gz QMCLCXKXDXBQLB-UHFFFAOYSA-N 0 0 218.178 2.246 50 0 BEAARN CCCC[C@@H](CC)COCCOCCO ZINC000002565177 342724589 /nfs/dbraw/zinc/72/45/89/342724589.db2.gz OADIZUFHUPTFAG-GFCCVEGCSA-N 0 0 218.337 2.228 50 0 BEAARN [NH3+][C@H](CC(=O)[O-])Cc1csc2ccccc12 ZINC000002575629 342725214 /nfs/dbraw/zinc/72/52/14/342725214.db2.gz FGCYUNZSPGBIGH-VIFPVBQESA-N 0 0 235.308 2.246 50 0 BEAARN CCS[C@@H](C)CC1CC(=O)CC(=O)C1 ZINC000004638222 342749653 /nfs/dbraw/zinc/74/96/53/342749653.db2.gz LOCUWOGARRGULQ-QMMMGPOBSA-N 0 0 214.330 2.456 50 0 BEAARN Cn1c(-c2ccccc2F)n[nH]c1=S ZINC000003281604 342732110 /nfs/dbraw/zinc/73/21/10/342732110.db2.gz PDGQVFAAASGIDE-UHFFFAOYSA-N 0 0 209.249 2.284 50 0 BEAARN CCN(CC)C(=O)COc1ccc(C(C)=O)cc1 ZINC000003374746 342732907 /nfs/dbraw/zinc/73/29/07/342732907.db2.gz HVIBYRYGXOHRIT-UHFFFAOYSA-N 0 0 249.310 2.136 50 0 BEAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000003754807 342737383 /nfs/dbraw/zinc/73/73/83/342737383.db2.gz QEHMFYMCFXCQIA-LBPRGKRZSA-N 0 0 237.274 2.265 50 0 BEAARN CCCCCC(=O)Nc1nccc(C)n1 ZINC000004659187 342750017 /nfs/dbraw/zinc/75/00/17/342750017.db2.gz AKTATXNKWRSFAU-UHFFFAOYSA-N 0 0 207.277 2.304 50 0 BEAARN CCOc1cc2c(cc1C=O)O[C@@H](C)C2 ZINC000003882880 342738981 /nfs/dbraw/zinc/73/89/81/342738981.db2.gz BRNLPMZGFLCURP-QMMMGPOBSA-N 0 0 206.241 2.221 50 0 BEAARN CCOc1ccc(-c2n[nH]cc2C=O)cc1 ZINC000004992747 342755932 /nfs/dbraw/zinc/75/59/32/342755932.db2.gz WPJPLQDIKYABKY-UHFFFAOYSA-N 0 0 216.240 2.288 50 0 BEAARN Cc1nc(C(=O)O[C@@H](C)C2CC2)cs1 ZINC000170621285 361891875 /nfs/dbraw/zinc/89/18/75/361891875.db2.gz NFRBCBQUCYSGKL-LURJTMIESA-N 0 0 211.286 2.407 50 0 BEAARN Cc1nc(C(=O)O[C@H]2CCSC2)cs1 ZINC000170621434 361892073 /nfs/dbraw/zinc/89/20/73/361892073.db2.gz DPKDKAVWPDCLHA-ZETCQYMHSA-N 0 0 229.326 2.114 50 0 BEAARN C/C(Cl)=C\CN1C(=O)c2ccccc2C1=O ZINC000005093878 342758124 /nfs/dbraw/zinc/75/81/24/342758124.db2.gz HQZOBPZDFLYZNS-SOFGYWHQSA-N 0 0 235.670 2.425 50 0 BEAARN CC(C)CCn1c2ccccc2c(=O)oc1=O ZINC000005234848 342760535 /nfs/dbraw/zinc/76/05/35/342760535.db2.gz OWSDIKSPNCPMCL-UHFFFAOYSA-N 0 0 233.267 2.001 50 0 BEAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)[nH]2)c1 ZINC000005625881 342767544 /nfs/dbraw/zinc/76/75/44/342767544.db2.gz XYBMQHQSHBIYKX-UHFFFAOYSA-N 0 0 229.283 2.439 50 0 BEAARN Clc1ccc2[nH]c(N3CCOCC3)nc2c1 ZINC000005687385 342768464 /nfs/dbraw/zinc/76/84/64/342768464.db2.gz QKLNZAXCSBCBHV-UHFFFAOYSA-N 0 0 237.690 2.053 50 0 BEAARN Cc1cc(N)n([C@@H](C)c2ccccc2)n1 ZINC000006477790 342778358 /nfs/dbraw/zinc/77/83/58/342778358.db2.gz KVUMKWFHPFLNNA-JTQLQIEISA-N 0 0 201.273 2.383 50 0 BEAARN O=c1cc(O)c2c(n1-c1ccccc1)CCCC2 ZINC000005731553 342769027 /nfs/dbraw/zinc/76/90/27/342769027.db2.gz ZDLDUGLZNZVAHJ-UHFFFAOYSA-N 0 0 241.290 2.422 50 0 BEAARN Brc1ncccc1O[C@H]1CCOC1 ZINC000083454464 398282249 /nfs/dbraw/zinc/28/22/49/398282249.db2.gz NEGUYDTYMGKHMB-ZETCQYMHSA-N 0 0 244.088 2.012 50 0 BEAARN Cc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000006212783 342775301 /nfs/dbraw/zinc/77/53/01/342775301.db2.gz NNCXQDRDIJVINL-LBPRGKRZSA-N 0 0 234.299 2.296 50 0 BEAARN COC(=O)[C@@H](c1ccccc1)c1ccccn1 ZINC000008672976 342801820 /nfs/dbraw/zinc/80/18/20/342801820.db2.gz KKHXWKFQTDTPJB-ZDUSSCGKSA-N 0 0 227.263 2.387 50 0 BEAARN COc1cc(NC(=O)C(C)(C)C)ccn1 ZINC000008700514 342802514 /nfs/dbraw/zinc/80/25/14/342802514.db2.gz CYKIARCTGVETIR-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN CONC(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000071909180 342778825 /nfs/dbraw/zinc/77/88/25/342778825.db2.gz YJJKEYWOCMMEGS-VHSXEESVSA-N 0 0 214.309 2.063 50 0 BEAARN Ic1ccc2c(c1)NCC2 ZINC000008699792 342802536 /nfs/dbraw/zinc/80/25/36/342802536.db2.gz KGCBZEKELZUOFI-UHFFFAOYSA-N 0 0 245.063 2.259 50 0 BEAARN CC[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1 ZINC000006726461 342781555 /nfs/dbraw/zinc/78/15/55/342781555.db2.gz IUMMHAKYCBGADK-QWHCGFSZSA-N 0 0 233.311 2.433 50 0 BEAARN CNC(=O)[C@H](C)Sc1ccc(F)cc1 ZINC000040464745 538971267 /nfs/dbraw/zinc/97/12/67/538971267.db2.gz QYLXOLUWTMUIHV-ZETCQYMHSA-N 0 0 213.277 2.052 50 0 BEAARN CCOc1ccc(N)cc1-n1cccc1 ZINC000008702388 342802892 /nfs/dbraw/zinc/80/28/92/342802892.db2.gz GFGADZATBWHGFW-UHFFFAOYSA-N 0 0 202.257 2.458 50 0 BEAARN Cc1ccc(C(=O)Nc2cn[nH]c2)c(C)c1 ZINC000035237595 178438573 /nfs/dbraw/zinc/43/85/73/178438573.db2.gz IXQXOCOAGQPDQM-UHFFFAOYSA-N 0 0 215.256 2.279 50 0 BEAARN c1nc2ncnc(NC3CCCCCC3)c2[nH]1 ZINC000002719612 342792303 /nfs/dbraw/zinc/79/23/03/342792303.db2.gz HWFPCEOCXDTMFC-UHFFFAOYSA-N 0 0 231.303 2.488 50 0 BEAARN Cc1ccc(CSc2nc[nH]n2)cc1 ZINC000007603455 342792422 /nfs/dbraw/zinc/79/24/22/342792422.db2.gz HOZZBLHTOQAIBU-UHFFFAOYSA-N 0 0 205.286 2.405 50 0 BEAARN Cc1occc1C(=O)NCC1CC(F)(F)C1 ZINC000334238031 342792545 /nfs/dbraw/zinc/79/25/45/342792545.db2.gz MHPLGALSQORUET-UHFFFAOYSA-N 0 0 229.226 2.363 50 0 BEAARN Nc1nccc(-c2cccc(OC(F)F)c2)n1 ZINC000002786092 342793028 /nfs/dbraw/zinc/79/30/28/342793028.db2.gz NEHRRXWAKYWGIB-UHFFFAOYSA-N 0 0 237.209 2.327 50 0 BEAARN CCc1ccc(C(=O)N2CCO[C@@H](CC)C2)o1 ZINC000040514072 538971756 /nfs/dbraw/zinc/97/17/56/538971756.db2.gz WXDMACUGZKYBBN-NSHDSACASA-N 0 0 237.299 2.093 50 0 BEAARN Cc1c(C)n(O)c2ccc3nonc3c12 ZINC000002906581 342795766 /nfs/dbraw/zinc/79/57/66/342795766.db2.gz UHXRVZCUXUXCIG-UHFFFAOYSA-N 0 0 203.201 2.032 50 0 BEAARN COc1cc(Br)c(OC)cc1N ZINC000009372393 342814337 /nfs/dbraw/zinc/81/43/37/342814337.db2.gz YLONQFVJDASUEB-UHFFFAOYSA-N 0 0 232.077 2.049 50 0 BEAARN O=C([O-])c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000008729681 342803744 /nfs/dbraw/zinc/80/37/44/342803744.db2.gz JHHFBPXBCCFQCI-UHFFFAOYSA-N 0 0 231.251 2.268 50 0 BEAARN Clc1ccccc1[C@H]1NCCc2nc[nH]c21 ZINC000008733374 342803993 /nfs/dbraw/zinc/80/39/93/342803993.db2.gz ORACQPYUXLBCCW-LLVKDONJSA-N 0 0 233.702 2.298 50 0 BEAARN CCOc1cccc(NC(=O)C2CC2)c1 ZINC000009816569 342828008 /nfs/dbraw/zinc/82/80/08/342828008.db2.gz RGWHXFLWZFCOAO-UHFFFAOYSA-N 0 0 205.257 2.434 50 0 BEAARN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C)no1 ZINC000044633353 538989819 /nfs/dbraw/zinc/98/98/19/538989819.db2.gz KFQKLEKLQVBOBR-PEXQALLHSA-N 0 0 234.299 2.303 50 0 BEAARN c1csc(-c2noc(CCc3cn[nH]c3)n2)c1 ZINC000032561829 342838557 /nfs/dbraw/zinc/83/85/57/342838557.db2.gz GXOWCSWWSKYETO-UHFFFAOYSA-N 0 0 246.295 2.306 50 0 BEAARN COCc1cccc(I)c1 ZINC000049510856 539008938 /nfs/dbraw/zinc/00/89/38/539008938.db2.gz XTWKDFNSYVCFBV-UHFFFAOYSA-N 0 0 248.063 2.438 50 0 BEAARN Cc1noc(C)c1CN(C)C(=O)c1ccoc1 ZINC000046408248 538995289 /nfs/dbraw/zinc/99/52/89/538995289.db2.gz XKOQYSIVESNNHP-UHFFFAOYSA-N 0 0 234.255 2.157 50 0 BEAARN CC(=O)N([C@@H](C)c1ccccn1)C1CC1 ZINC000047178020 538999697 /nfs/dbraw/zinc/99/96/97/538999697.db2.gz STQACGCOGOJIDC-VIFPVBQESA-N 0 0 204.273 2.154 50 0 BEAARN COC(=O)CCCCc1nc2ccccc2[nH]1 ZINC000011735084 342842884 /nfs/dbraw/zinc/84/28/84/342842884.db2.gz CFASXJUJLWYMFX-UHFFFAOYSA-N 0 0 232.283 2.449 50 0 BEAARN CCCCON1C(=O)c2ccccc2C1=O ZINC000011917699 342844557 /nfs/dbraw/zinc/84/45/57/342844557.db2.gz JCEKIQIXCILAPX-UHFFFAOYSA-N 0 0 219.240 2.014 50 0 BEAARN CC[C@@H](C)[C@@H](C)Nc1ncnc2c1cnn2C ZINC000042417214 361998469 /nfs/dbraw/zinc/99/84/69/361998469.db2.gz VRGQQBLIBHVYMT-RKDXNWHRSA-N 0 0 233.319 2.210 50 0 BEAARN O=C([O-])[C@H](c1c[nH]c2ccccc21)[NH+]1CCCC1 ZINC000012389021 342850616 /nfs/dbraw/zinc/85/06/16/342850616.db2.gz ONDDKCJABRYASU-ZDUSSCGKSA-N 0 0 244.294 2.389 50 0 BEAARN Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000012505635 342852984 /nfs/dbraw/zinc/85/29/84/342852984.db2.gz ZZBFIMROWBQANF-UHFFFAOYSA-N 0 0 246.289 2.393 50 0 BEAARN O=C(c1ccccc1Br)N1CCC1 ZINC000012919890 342861203 /nfs/dbraw/zinc/86/12/03/342861203.db2.gz FCZXSRCEGYGCMI-UHFFFAOYSA-N 0 0 240.100 2.295 50 0 BEAARN Cc1ccc(Cl)c(OCC(=O)N2CCC2)c1 ZINC000012976517 342862217 /nfs/dbraw/zinc/86/22/17/342862217.db2.gz OSJYBRPWOFESLW-UHFFFAOYSA-N 0 0 239.702 2.260 50 0 BEAARN CCCc1c(C)c2c(C)[nH]nc2oc1=O ZINC000013113964 342863729 /nfs/dbraw/zinc/86/37/29/342863729.db2.gz ZORFBHURLGTGOF-UHFFFAOYSA-N 0 0 206.245 2.085 50 0 BEAARN CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000013520769 342867195 /nfs/dbraw/zinc/86/71/95/342867195.db2.gz OENAVOGIKPEVCP-UHFFFAOYSA-N 0 0 246.335 2.391 50 0 BEAARN Cc1ccc(Cl)cc1NC(=S)N(C)N ZINC000013659146 342869427 /nfs/dbraw/zinc/86/94/27/342869427.db2.gz JMMCDCBKCPZBLT-UHFFFAOYSA-N 0 0 229.736 2.151 50 0 BEAARN CN(Cc1nnnn1C1CC1)CC1CCCCC1 ZINC000032769958 342874240 /nfs/dbraw/zinc/87/42/40/342874240.db2.gz FPCUGIMQXQBABL-UHFFFAOYSA-N 0 0 249.362 2.020 50 0 BEAARN Cc1onc(C(=O)[O-])c1C[NH+]1CCCCCC1 ZINC000013945715 342874371 /nfs/dbraw/zinc/87/43/71/342874371.db2.gz QFKKRPOPMAWEBA-UHFFFAOYSA-N 0 0 238.287 2.057 50 0 BEAARN C[C@@H](C1CC1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC000032786936 342874954 /nfs/dbraw/zinc/87/49/54/342874954.db2.gz JVLPXJACSMQBGV-QMMMGPOBSA-N 0 0 233.315 2.158 50 0 BEAARN CSc1nc(O)cc(=O)n1C1CCCCC1 ZINC000013957237 342875096 /nfs/dbraw/zinc/87/50/96/342875096.db2.gz NHRMYGPYHUXFQK-UHFFFAOYSA-N 0 0 240.328 2.176 50 0 BEAARN Cc1cnc(NC(=O)CC[C@H]2CCCO2)s1 ZINC000032816011 342878145 /nfs/dbraw/zinc/87/81/45/342878145.db2.gz ZVFUQRPGSOWHBE-SECBINFHSA-N 0 0 240.328 2.349 50 0 BEAARN Cc1ccc(C(F)(F)F)c(C(N)=O)c1 ZINC000039712956 178457080 /nfs/dbraw/zinc/45/70/80/178457080.db2.gz RDTKTRWLTBJWBZ-UHFFFAOYSA-N 0 0 203.163 2.113 50 0 BEAARN CCCn1nc(C)cc1NC(=O)c1ccco1 ZINC000032647827 342859100 /nfs/dbraw/zinc/85/91/00/342859100.db2.gz JKAZSRUYHJJNCW-UHFFFAOYSA-N 0 0 233.271 2.447 50 0 BEAARN CN(C(=O)CCn1cccn1)C1CCCCC1 ZINC000047667134 398311602 /nfs/dbraw/zinc/31/16/02/398311602.db2.gz SICGZTBFNNQKOH-UHFFFAOYSA-N 0 0 235.331 2.064 50 0 BEAARN Cc1c2c(nn1-c1ccccc1)c(C)n[nH]c2=O ZINC000021782056 398317877 /nfs/dbraw/zinc/31/78/77/398317877.db2.gz JUHNMUHBNQKSQR-UHFFFAOYSA-N 0 0 240.266 2.138 50 0 BEAARN CCO[C@H]1C[C@@H](Nc2cnccn2)C12CCC2 ZINC000096429659 398317895 /nfs/dbraw/zinc/31/78/95/398317895.db2.gz LKBVWDNRTBOBSG-MNOVXSKESA-N 0 0 233.315 2.236 50 0 BEAARN CCO[C@@H]1C[C@H](Nc2cnccn2)C12CCC2 ZINC000096429654 398318052 /nfs/dbraw/zinc/31/80/52/398318052.db2.gz LKBVWDNRTBOBSG-WDEREUQCSA-N 0 0 233.315 2.236 50 0 BEAARN CCc1ccc(C(=O)Cn2ccccc2=O)cc1 ZINC000015593777 342898766 /nfs/dbraw/zinc/89/87/66/342898766.db2.gz SZRNFZFQKREELF-UHFFFAOYSA-N 0 0 241.290 2.294 50 0 BEAARN Cc1n[nH]cc1CNc1cnc2ccccc2n1 ZINC000097160097 398319175 /nfs/dbraw/zinc/31/91/75/398319175.db2.gz OZZAJXXZXWVBSO-UHFFFAOYSA-N 0 0 239.282 2.273 50 0 BEAARN CSc1nnc(Cc2ccccc2)o1 ZINC000015019001 342890634 /nfs/dbraw/zinc/89/06/34/342890634.db2.gz QNQGNJZJOMENGJ-UHFFFAOYSA-N 0 0 206.270 2.382 50 0 BEAARN CC(C)c1ncncc1Br ZINC000015021327 342890882 /nfs/dbraw/zinc/89/08/82/342890882.db2.gz LQPQMMZNSQOAHG-UHFFFAOYSA-N 0 0 201.067 2.363 50 0 BEAARN Cc1cnc2ncc(Br)cc2n1 ZINC000015042887 342890977 /nfs/dbraw/zinc/89/09/77/342890977.db2.gz VUTYRYIQTGJKBH-UHFFFAOYSA-N 0 0 224.061 2.096 50 0 BEAARN O=C1COc2ccc(Br)cc21 ZINC000016083116 342905944 /nfs/dbraw/zinc/90/59/44/342905944.db2.gz UXUCDQLDYILHQI-UHFFFAOYSA-N 0 0 213.030 2.024 50 0 BEAARN Cc1nc(CNC(=O)c2ccccc2)cs1 ZINC000015832140 342901774 /nfs/dbraw/zinc/90/17/74/342901774.db2.gz AUVHAMXJHFZVSB-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN O=C1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000003161543 346870575 /nfs/dbraw/zinc/87/05/75/346870575.db2.gz YQBZNNFVXOBDSJ-WCQYABFASA-N 0 0 204.269 2.479 50 0 BEAARN CCC1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000016606039 342913487 /nfs/dbraw/zinc/91/34/87/342913487.db2.gz WPNCXOMNLMPIFI-MCIGGMRASA-N 0 0 225.332 2.250 50 0 BEAARN Cc1c(=O)[nH]c(=S)[nH]c1-c1ccccc1 ZINC000016853151 342916387 /nfs/dbraw/zinc/91/63/87/342916387.db2.gz DOBCLHOWEVRVDL-UHFFFAOYSA-N 0 0 218.281 2.408 50 0 BEAARN O=C([O-])c1ccc(C[NH+]2CCCCC2)s1 ZINC000016943908 342917624 /nfs/dbraw/zinc/91/76/24/342917624.db2.gz UCPHKICHEXJNKW-UHFFFAOYSA-N 0 0 225.313 2.432 50 0 BEAARN O=c1[nH]cc(Br)c2ccccc12 ZINC000017061817 342920165 /nfs/dbraw/zinc/92/01/65/342920165.db2.gz ZOPUFLIYIMVOGZ-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN O=c1[nH]c(=S)[nH]cc1OCc1ccccc1 ZINC000018085982 342931369 /nfs/dbraw/zinc/93/13/69/342931369.db2.gz XYJYTCCZTNWCRR-UHFFFAOYSA-N 0 0 234.280 2.011 50 0 in-vitro BEAARN Cc1c(N)cnn1-c1cc(C)ccc1C ZINC000048218381 178463650 /nfs/dbraw/zinc/46/36/50/178463650.db2.gz QIOOXYFXEDLTSJ-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN CC(C)C(=O)N1CC[C@@H](OCc2ccccc2)C1 ZINC000383836529 342934413 /nfs/dbraw/zinc/93/44/13/342934413.db2.gz LHSAKDGZJKODSX-CQSZACIVSA-N 0 0 247.338 2.460 50 0 BEAARN Cc1ccc(F)c(-c2cc(C)nc(N)n2)c1 ZINC000067672979 398329337 /nfs/dbraw/zinc/32/93/37/398329337.db2.gz HTQTXMZLNPKPTM-UHFFFAOYSA-N 0 0 217.247 2.482 50 0 BEAARN Cc1nsc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1 ZINC000245305024 398329778 /nfs/dbraw/zinc/32/97/78/398329778.db2.gz HQHXOKQNBIWEDU-DJLDLDEBSA-N 0 0 239.344 2.072 50 0 BEAARN Cc1noc2[nH]c(=O)cc(C(F)(F)F)c12 ZINC000018217815 342935155 /nfs/dbraw/zinc/93/51/55/342935155.db2.gz RGQRHWVSIRUQIA-UHFFFAOYSA-N 0 0 218.134 2.256 50 0 BEAARN CCc1nnc(SCC(=O)C(C)(C)C)[nH]1 ZINC000040485568 398330218 /nfs/dbraw/zinc/33/02/18/398330218.db2.gz HFIASVRTTQAPER-UHFFFAOYSA-N 0 0 227.333 2.074 50 0 BEAARN CC1(C)CNc2nnc(-c3ccccc3O)n2C1 ZINC000034519823 346890084 /nfs/dbraw/zinc/89/00/84/346890084.db2.gz TVLMNUCPOGGEFL-UHFFFAOYSA-N 0 0 244.298 2.102 50 0 BEAARN Cn1ccc(NC(=O)CCc2ccsc2)n1 ZINC000018949015 342940272 /nfs/dbraw/zinc/94/02/72/342940272.db2.gz HBBDLANHHDKINL-UHFFFAOYSA-N 0 0 235.312 2.053 50 0 BEAARN CN(Cc1cnn(C)c1)c1nc2ccccc2o1 ZINC000042096798 398330662 /nfs/dbraw/zinc/33/06/62/398330662.db2.gz HTGWDQICFDDMDQ-UHFFFAOYSA-N 0 0 242.282 2.198 50 0 BEAARN CCOC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000000163464 398332039 /nfs/dbraw/zinc/33/20/39/398332039.db2.gz SUFLQJBENWTBOL-SOFGYWHQSA-N 0 0 236.267 2.280 50 0 BEAARN O=C(c1ccnc(Cl)c1)N1CCCCC1 ZINC000019092098 342941312 /nfs/dbraw/zinc/94/13/12/342941312.db2.gz QXCABBOLSRZFTK-UHFFFAOYSA-N 0 0 224.691 2.361 50 0 BEAARN Cc1cc(C)cc(Nc2nc(O)cs2)c1 ZINC000012341767 346893368 /nfs/dbraw/zinc/89/33/68/346893368.db2.gz RGLCFEXHTFHCCU-UHFFFAOYSA-N 0 0 220.297 2.345 50 0 BEAARN Nc1ccccc1C(=O)NCCc1cccs1 ZINC000019256224 342944414 /nfs/dbraw/zinc/94/44/14/342944414.db2.gz GGWKXTOKKAXOFX-UHFFFAOYSA-N 0 0 246.335 2.303 50 0 BEAARN O=C1CCCN1CC[C@H]1CNc2ccccc21 ZINC000019480265 342949423 /nfs/dbraw/zinc/94/94/23/342949423.db2.gz PPAZUSXZKKRWGI-NSHDSACASA-N 0 0 230.311 2.208 50 0 BEAARN Nc1nc2ccccc2cc1C(=O)N1CCCC1 ZINC000019626813 342952495 /nfs/dbraw/zinc/95/24/95/342952495.db2.gz JEEJYJCZHYJMGA-UHFFFAOYSA-N 0 0 241.294 2.053 50 0 BEAARN Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000019689499 342954200 /nfs/dbraw/zinc/95/42/00/342954200.db2.gz XGRMROKOYHRHCO-LBPRGKRZSA-N 0 0 213.284 2.391 50 0 BEAARN CCc1c(N)n[nH]c1-c1ccc(F)cc1 ZINC000019688913 342954207 /nfs/dbraw/zinc/95/42/07/342954207.db2.gz OIGHDFCRGGCWOD-UHFFFAOYSA-N 0 0 205.236 2.360 50 0 BEAARN Clc1ccc(OC[C@@H]2CCCCO2)nn1 ZINC000019414692 342948066 /nfs/dbraw/zinc/94/80/66/342948066.db2.gz SDCMVAAMYBGXJT-QMMMGPOBSA-N 0 0 228.679 2.078 50 0 BEAARN C[C@]12CC3CC(C(N)=O)(C1)C[C@@](C)(C3)C2 ZINC000012410525 346899119 /nfs/dbraw/zinc/89/91/19/346899119.db2.gz HZWMHZAOCNZQTA-QGVZIFMBSA-N 0 0 207.317 2.468 50 0 BEAARN Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000019736673 342955250 /nfs/dbraw/zinc/95/52/50/342955250.db2.gz GCSCLVPNJOMLEA-UHFFFAOYSA-N 0 0 238.290 2.472 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000000030041 344019197 /nfs/dbraw/zinc/01/91/97/344019197.db2.gz NTRYENNTPSJJFH-SNVBAGLBSA-N 0 0 220.316 2.281 50 0 BEAARN CCOc1ccc(C(=O)N2CCCCC2)cc1N ZINC000020155597 342972426 /nfs/dbraw/zinc/97/24/26/342972426.db2.gz YYIPSYQWRNDAMO-UHFFFAOYSA-N 0 0 248.326 2.294 50 0 BEAARN CC(C)(C)OC(=O)Cc1ccccc1N ZINC000020155666 342972548 /nfs/dbraw/zinc/97/25/48/342972548.db2.gz PTYKJKMISAEJIZ-UHFFFAOYSA-N 0 0 207.273 2.153 50 0 BEAARN Cc1ccc(N)cc1NC(=O)C1CCC1 ZINC000020157057 342972774 /nfs/dbraw/zinc/97/27/74/342972774.db2.gz BYGRMXGFZIDTLO-UHFFFAOYSA-N 0 0 204.273 2.316 50 0 BEAARN CCOc1ccc(N[C@@H]2CCCCNC2=O)cc1 ZINC000020040341 342967047 /nfs/dbraw/zinc/96/70/47/342967047.db2.gz FIDRKMVDSREOHE-CYBMUJFWSA-N 0 0 248.326 2.166 50 0 BEAARN Nc1cccc(-n2nccc2C(F)(F)F)c1 ZINC000020593933 342992160 /nfs/dbraw/zinc/99/21/60/342992160.db2.gz KSZJSRJBDDIYRC-UHFFFAOYSA-N 0 0 227.189 2.473 50 0 BEAARN O=C(CCn1cccn1)NC1CCCCCC1 ZINC000020602898 342992174 /nfs/dbraw/zinc/99/21/74/342992174.db2.gz WWMMJHCPWAQUQW-UHFFFAOYSA-N 0 0 235.331 2.112 50 0 BEAARN CCN1CCN(C(=O)CCC2CCCC2)CC1 ZINC000020608784 342992381 /nfs/dbraw/zinc/99/23/81/342992381.db2.gz QWNMQJKBZWMYJG-UHFFFAOYSA-N 0 0 238.375 2.121 50 0 BEAARN Nc1ccnc(-c2nc3ccccc3[nH]2)c1 ZINC000020272709 342979419 /nfs/dbraw/zinc/97/94/19/342979419.db2.gz LMMVVCLDIDIEHL-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN Nc1cccnc1Nc1ccc(O)cc1 ZINC000020317443 342981986 /nfs/dbraw/zinc/98/19/86/342981986.db2.gz VDKIMNUBAYDJEU-UHFFFAOYSA-N 0 0 201.229 2.113 50 0 BEAARN c1nc2sc3c(c2c2nnnn12)CCCCC3 ZINC000000501892 346911883 /nfs/dbraw/zinc/91/18/83/346911883.db2.gz DZIUSIMNPXGGQK-UHFFFAOYSA-N 0 0 245.311 2.003 50 0 BEAARN Clc1ncc(CN2CCSCC2)s1 ZINC000020405785 342984884 /nfs/dbraw/zinc/98/48/84/342984884.db2.gz VQKQGZVLXBCNED-UHFFFAOYSA-N 0 0 234.777 2.345 50 0 BEAARN Cc1ccc(C)c(NC(=O)Cn2cccn2)c1 ZINC000012985038 178481044 /nfs/dbraw/zinc/48/10/44/178481044.db2.gz NKLHRZWSCWQWAN-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN Cc1ccsc1C(=O)NCc1cccnc1 ZINC000020816049 342995032 /nfs/dbraw/zinc/99/50/32/342995032.db2.gz GHBCJZQVUWZMTP-UHFFFAOYSA-N 0 0 232.308 2.382 50 0 BEAARN O=C(c1cccc2cccnc21)N1CCCC1 ZINC000021003974 343002076 /nfs/dbraw/zinc/00/20/76/343002076.db2.gz QJBVEAFDZGNQOA-UHFFFAOYSA-N 0 0 226.279 2.471 50 0 BEAARN Clc1ccc(NCc2ccncc2)nn1 ZINC000021510412 343014782 /nfs/dbraw/zinc/01/47/82/343014782.db2.gz LFTORCMYWYDDIF-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000021704122 343018768 /nfs/dbraw/zinc/01/87/68/343018768.db2.gz MYZYTWQMIGKQLN-LBPRGKRZSA-N 0 0 247.294 2.141 50 0 BEAARN O=c1[nH]cccc1-c1nc(-c2ccccc2)no1 ZINC000021730331 343019220 /nfs/dbraw/zinc/01/92/20/343019220.db2.gz LWZOYROVKVXUEK-UHFFFAOYSA-N 0 0 239.234 2.092 50 0 BEAARN CC[C@@H](C)NC(=O)c1sc(C)nc1C ZINC000021783987 343021044 /nfs/dbraw/zinc/02/10/44/343021044.db2.gz BEEQVCPXJBUVSD-ZCFIWIBFSA-N 0 0 212.318 2.288 50 0 BEAARN Clc1ccc(NCc2cccnc2)nn1 ZINC000021801305 343021204 /nfs/dbraw/zinc/02/12/04/343021204.db2.gz BTCAKSHTZNVLKP-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN CN(C)c1cccc(C(=O)NCc2ccco2)c1 ZINC000021897206 343026374 /nfs/dbraw/zinc/02/63/74/343026374.db2.gz WAXBVHNNGXMYCU-UHFFFAOYSA-N 0 0 244.294 2.276 50 0 BEAARN Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000022145186 343042421 /nfs/dbraw/zinc/04/24/21/343042421.db2.gz RUYQFOIEMVGGQT-UHFFFAOYSA-N 0 0 248.307 2.070 50 0 in-vivo BEAARN Nc1cc(NC(=O)c2cccnc2)ccc1F ZINC000021964015 343031024 /nfs/dbraw/zinc/03/10/24/343031024.db2.gz SQYVBUMIGGFVOX-UHFFFAOYSA-N 0 0 231.230 2.055 50 0 BEAARN CC(C)(C)OC(=O)NCCc1ccccn1 ZINC000021983980 343031952 /nfs/dbraw/zinc/03/19/52/343031952.db2.gz FRZBAKFWDAGSGM-UHFFFAOYSA-N 0 0 222.288 2.149 50 0 BEAARN O=C([O-])[C@@H]1CC[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000022204792 343044364 /nfs/dbraw/zinc/04/43/64/343044364.db2.gz YTJTWNRDSJORDF-ZJUUUORDSA-N 0 0 225.675 2.075 50 0 BEAARN Cc1nc(CSCCC(=O)N(C)C)cs1 ZINC000042751813 362023906 /nfs/dbraw/zinc/02/39/06/362023906.db2.gz ZWOFHJQPRWHBOS-UHFFFAOYSA-N 0 0 244.385 2.163 50 0 BEAARN Cn1cc(NC(=O)c2cc3ccccc3[nH]2)cn1 ZINC000025306508 343088989 /nfs/dbraw/zinc/08/89/89/343088989.db2.gz GHPHMLPWOAZWMM-UHFFFAOYSA-N 0 0 240.266 2.154 50 0 BEAARN Cc1ccc(C)c(OCc2nncn2C)c1 ZINC000089623938 178491546 /nfs/dbraw/zinc/49/15/46/178491546.db2.gz YFFNXYVWQFKCRV-UHFFFAOYSA-N 0 0 217.272 2.011 50 0 BEAARN COc1cccc(OC(F)(F)F)c1N ZINC000238383409 343077114 /nfs/dbraw/zinc/07/71/14/343077114.db2.gz KGZGRXLFOGQTLL-UHFFFAOYSA-N 0 0 207.151 2.176 50 0 BEAARN O=C(Nc1cncc(F)c1)OCC(F)(F)F ZINC000300955435 343077589 /nfs/dbraw/zinc/07/75/89/343077589.db2.gz MOHPDVRBRTZJJJ-UHFFFAOYSA-N 0 0 238.140 2.332 50 0 BEAARN CONC(=O)c1sc(-c2ccccc2)nc1C ZINC000024833574 343077918 /nfs/dbraw/zinc/07/79/18/343077918.db2.gz GHWNODMNUAYHMN-UHFFFAOYSA-N 0 0 248.307 2.410 50 0 BEAARN CCC(O)(CC)COCC(O)(CC)CC ZINC000071774345 168424093 /nfs/dbraw/zinc/42/40/93/168424093.db2.gz NELITFIPHODSPR-UHFFFAOYSA-N 0 0 218.337 2.105 50 0 BEAARN CC[C@@H](Oc1ccccc1)C(=O)n1cccn1 ZINC000013324042 362101953 /nfs/dbraw/zinc/10/19/53/362101953.db2.gz IOKOYARAVJOJPZ-GFCCVEGCSA-N 0 0 230.267 2.381 50 0 BEAARN CCCn1c2ccccc2nc1NC(=O)COC ZINC000027923555 343125612 /nfs/dbraw/zinc/12/56/12/343125612.db2.gz PJAWJIXNPKUPTH-UHFFFAOYSA-N 0 0 247.298 2.031 50 0 BEAARN CC[C@@H](C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000028576839 343130583 /nfs/dbraw/zinc/13/05/83/343130583.db2.gz LCRBXKMFKOKZAC-SNVBAGLBSA-N 0 0 247.298 2.053 50 0 BEAARN Cc1cc(C)nc(-n2cnc3ccccc32)n1 ZINC000000227563 343138722 /nfs/dbraw/zinc/13/87/22/343138722.db2.gz KXHOKRKSTNFCDL-UHFFFAOYSA-N 0 0 224.267 2.432 50 0 BEAARN CC[C@H](Oc1ccc2ccccc2c1)C(N)=O ZINC000030850383 343210792 /nfs/dbraw/zinc/21/07/92/343210792.db2.gz DAHUNAJCNWWLSW-ZDUSSCGKSA-N 0 0 229.279 2.483 50 0 BEAARN N#CNc1nccc(-c2ccsc2)n1 ZINC000032096557 343229262 /nfs/dbraw/zinc/22/92/62/343229262.db2.gz WYFUPSGEGGXVNQ-UHFFFAOYSA-N 0 0 202.242 2.098 50 0 BEAARN Cc1cc(-c2nnc3c(Cl)cccn23)n(C)n1 ZINC000032533065 343237446 /nfs/dbraw/zinc/23/74/46/343237446.db2.gz FFYMLIGYRSRALV-UHFFFAOYSA-N 0 0 247.689 2.092 50 0 BEAARN COc1ccc(C(=O)N(C)C2CCCC2)c(O)c1 ZINC000032845236 343243363 /nfs/dbraw/zinc/24/33/63/343243363.db2.gz JHHXBWFCMUWFHN-UHFFFAOYSA-N 0 0 249.310 2.415 50 0 BEAARN O=c1[nH]ccc2cc(Br)ccc21 ZINC000032914926 343244179 /nfs/dbraw/zinc/24/41/79/343244179.db2.gz ZDYXSEQHOVSTPA-UHFFFAOYSA-N 0 0 224.057 2.291 50 0 BEAARN C[C@H](C[C@@H]([NH3+])CC(=O)[O-])CC(C)(C)C ZINC000032919346 343244629 /nfs/dbraw/zinc/24/46/29/343244629.db2.gz SPLJOHIHQABPRC-RKDXNWHRSA-N 0 0 201.310 2.251 50 0 BEAARN CN1C(=O)c2ccccc2N[C@@H]1c1ccco1 ZINC000048376002 343255996 /nfs/dbraw/zinc/25/59/96/343255996.db2.gz WDJWOZQKYFGJGA-LBPRGKRZSA-N 0 0 228.251 2.476 50 0 BEAARN CC(=O)CCCCNC(=O)OC(C)(C)C ZINC000034410622 343270368 /nfs/dbraw/zinc/27/03/68/343270368.db2.gz YSBSLGMWGAIEEA-UHFFFAOYSA-N 0 0 215.293 2.270 50 0 BEAARN COC(=O)[C@H](C)NC(=O)CCC1CCCCC1 ZINC000002683947 343270700 /nfs/dbraw/zinc/27/07/00/343270700.db2.gz DMKJHAKKNSYLBE-JTQLQIEISA-N 0 0 241.331 2.025 50 0 BEAARN Cc1ccc2[nH]c(CSC[C@H](C)O)nc2c1 ZINC000022216083 343272515 /nfs/dbraw/zinc/27/25/15/343272515.db2.gz AMWKINUQLWJOJY-VIFPVBQESA-N 0 0 236.340 2.485 50 0 BEAARN C[C@@H](CCc1ccc(C[NH3+])s1)CC(=O)[O-] ZINC000003172405 343272984 /nfs/dbraw/zinc/27/29/84/343272984.db2.gz FXUQWQJZPOBVIO-QMMMGPOBSA-N 0 0 227.329 2.250 50 0 BEAARN O=C1CS[C@@H](c2ccccc2Cl)N1 ZINC000004853677 343273370 /nfs/dbraw/zinc/27/33/70/343273370.db2.gz OPQBLXBNKLNROR-VIFPVBQESA-N 0 0 213.689 2.202 50 0 BEAARN C=CC(=O)NCCc1c[nH]c2ccccc12 ZINC000034544038 343274686 /nfs/dbraw/zinc/27/46/86/343274686.db2.gz CVUGGBGZQFMMTN-UHFFFAOYSA-N 0 0 214.268 2.013 50 0 BEAARN CC(=O)NCc1ccc(Br)cc1 ZINC000034616082 343276260 /nfs/dbraw/zinc/27/62/60/343276260.db2.gz HBBBWKUVJSIFKV-UHFFFAOYSA-N 0 0 228.089 2.085 50 0 BEAARN Cc1onc(C(=O)[O-])c1C[N@H+]1CCCC[C@@H]1C ZINC000034925035 343280513 /nfs/dbraw/zinc/28/05/13/343280513.db2.gz ITJDMLJWFHXKLU-QMMMGPOBSA-N 0 0 238.287 2.056 50 0 BEAARN O=C1COCC2(CCC2)CN1Cc1ccccc1 ZINC000034928982 343281017 /nfs/dbraw/zinc/28/10/17/343281017.db2.gz FABJPZMJWOYBRW-UHFFFAOYSA-N 0 0 245.322 2.216 50 0 BEAARN CCc1cc(=O)[nH]c(-c2cccc(F)c2)n1 ZINC000036755131 343323237 /nfs/dbraw/zinc/32/32/37/343323237.db2.gz KMDGLXPKPHMVOE-UHFFFAOYSA-N 0 0 218.231 2.138 50 0 BEAARN COC(=O)c1ccccc1NCc1ccncc1 ZINC000036804396 343324230 /nfs/dbraw/zinc/32/42/30/343324230.db2.gz GMNHZZBEKCHKJE-UHFFFAOYSA-N 0 0 242.278 2.480 50 0 BEAARN CC(C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000036944967 343328324 /nfs/dbraw/zinc/32/83/24/343328324.db2.gz OINVUOULQDNSJV-UHFFFAOYSA-N 0 0 205.213 2.372 50 0 BEAARN Clc1ccc(-n2cnc3ccccc32)nn1 ZINC000037022337 343331015 /nfs/dbraw/zinc/33/10/15/343331015.db2.gz QFNQBCMUMIHUBF-UHFFFAOYSA-N 0 0 230.658 2.469 50 0 BEAARN O=c1cc[nH]c2c(OC(F)(F)F)cccc12 ZINC000035731117 343302754 /nfs/dbraw/zinc/30/27/54/343302754.db2.gz AMUUZJLMLDZNCV-UHFFFAOYSA-N 0 0 229.157 2.427 50 0 BEAARN Cc1ccc(C2=NO[C@H](C(C)(C)O)C2)cc1 ZINC000214080143 178513387 /nfs/dbraw/zinc/51/33/87/178513387.db2.gz KPPKDLAMDIWKON-LBPRGKRZSA-N 0 0 219.284 2.259 50 0 BEAARN Clc1cc(NCc2ccncc2)ncn1 ZINC000036294474 343314279 /nfs/dbraw/zinc/31/42/79/343314279.db2.gz KHHGCFDOIVUOTF-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN COC(=O)C(C)(C)NCc1ccc(Cl)cc1 ZINC000037085232 343333481 /nfs/dbraw/zinc/33/34/81/343333481.db2.gz VVNMUGRBNPENJS-UHFFFAOYSA-N 0 0 241.718 2.381 50 0 BEAARN Cc1[nH]c2c(F)ccc(F)c2c(=O)c1C ZINC000037947575 343362592 /nfs/dbraw/zinc/36/25/92/343362592.db2.gz YWABXIOQUMMYFY-UHFFFAOYSA-N 0 0 209.195 2.423 50 0 BEAARN COC(=O)c1nc(Cl)c2ccccc2c1O ZINC000038342145 343374275 /nfs/dbraw/zinc/37/42/75/343374275.db2.gz JCLXQWPJRSUMFT-UHFFFAOYSA-N 0 0 237.642 2.380 50 0 BEAARN Cc1c[nH]c(=O)n1-c1ccccc1Cl ZINC000038342208 343374405 /nfs/dbraw/zinc/37/44/05/343374405.db2.gz QVYUJLNSXSBQFP-UHFFFAOYSA-N 0 0 208.648 2.127 50 0 BEAARN C[NH+](C)[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000037357861 343343948 /nfs/dbraw/zinc/34/39/48/343343948.db2.gz CYKHMICFOPJKFO-LLVKDONJSA-N 0 0 227.691 2.201 50 0 BEAARN Cc1cc(-c2noc([C@H](C)N)n2)ccc1F ZINC000037734550 343352880 /nfs/dbraw/zinc/35/28/80/343352880.db2.gz ISRCMEDVZCVWKO-ZETCQYMHSA-N 0 0 221.235 2.204 50 0 BEAARN C[C@@]1(C(=O)Nc2ccccc2O)CC1(F)F ZINC000335641916 136308552 /nfs/dbraw/zinc/30/85/52/136308552.db2.gz XKVFNADVWWAYFK-JTQLQIEISA-N 0 0 227.210 2.376 50 0 BEAARN COC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000039271918 343387838 /nfs/dbraw/zinc/38/78/38/343387838.db2.gz ONNMKZXKTBYWFA-UHFFFAOYSA-N 0 0 218.174 2.421 50 0 BEAARN COC(OC)c1ccc2cc(C)cnc2n1 ZINC000039961349 343394356 /nfs/dbraw/zinc/39/43/56/343394356.db2.gz HKLITSAOGZOQKJ-UHFFFAOYSA-N 0 0 218.256 2.230 50 0 BEAARN Cn1cc(Br)c2cccnc21 ZINC000040442627 343403019 /nfs/dbraw/zinc/40/30/19/343403019.db2.gz GBHFSEKDEABVOP-UHFFFAOYSA-N 0 0 211.062 2.336 50 0 BEAARN Clc1cc(NCc2ccccn2)ncn1 ZINC000040431930 343403026 /nfs/dbraw/zinc/40/30/26/343403026.db2.gz HQICJAWYXYSFHL-UHFFFAOYSA-N 0 0 220.663 2.137 50 0 BEAARN CC(C)(C)OC(=O)N1CCC2(CCC2=O)CC1 ZINC000040449990 343404102 /nfs/dbraw/zinc/40/41/02/343404102.db2.gz IJUALTPNDJIBJT-UHFFFAOYSA-N 0 0 239.315 2.367 50 0 BEAARN Clc1ncc2c(Br)c[nH]c2n1 ZINC000040448504 343404110 /nfs/dbraw/zinc/40/41/10/343404110.db2.gz SQQIUDPUHXGYOS-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN S=c1[nH]nc2c3ccccc3ccn12 ZINC000040545743 343406464 /nfs/dbraw/zinc/40/64/64/343406464.db2.gz LNKYYXCFTQLDLJ-UHFFFAOYSA-N 0 0 201.254 2.171 50 0 BEAARN CC[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000040975085 343411676 /nfs/dbraw/zinc/41/16/76/343411676.db2.gz FLYMDKWKEGXJLA-VIFPVBQESA-N 0 0 226.272 2.156 50 0 biogenic,in-vitro BEAARN Cc1ccc(N)cc1C(=O)N(C)C(C)C ZINC000041031643 343412843 /nfs/dbraw/zinc/41/28/43/343412843.db2.gz IBVOTNSNBHZFLB-UHFFFAOYSA-N 0 0 206.289 2.058 50 0 BEAARN CC(=O)c1ccc(O[C@@H]2CCOC2)c(F)c1 ZINC000082453947 343439495 /nfs/dbraw/zinc/43/94/95/343439495.db2.gz ZKWUERXMPBWUDD-SNVBAGLBSA-N 0 0 224.231 2.196 50 0 BEAARN CC[C@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000335732368 136349338 /nfs/dbraw/zinc/34/93/38/136349338.db2.gz VJHIPGSULFSAGI-YUMQZZPRSA-N 0 0 223.238 2.443 50 0 BEAARN O=C(NC1CC1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000335705707 136335898 /nfs/dbraw/zinc/33/58/98/136335898.db2.gz YLWOZUHYVHZLBQ-BQBZGAKWSA-N 0 0 221.222 2.244 50 0 BEAARN O=C(c1ccc(C2OCCO2)cc1)C1CC1 ZINC000043212698 343465820 /nfs/dbraw/zinc/46/58/20/343465820.db2.gz KJOJOJACFMQMRT-UHFFFAOYSA-N 0 0 218.252 2.325 50 0 BEAARN O=C(c1ccccc1CN1CCOCC1)C1CC1 ZINC000043211501 343465921 /nfs/dbraw/zinc/46/59/21/343465921.db2.gz LNKVHSNWQRIMCU-UHFFFAOYSA-N 0 0 245.322 2.112 50 0 BEAARN CCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000044868681 343517808 /nfs/dbraw/zinc/51/78/08/343517808.db2.gz GFTOVGNTWPLNOF-LLVKDONJSA-N 0 0 219.284 2.427 50 0 BEAARN CCN(CC)C(=O)c1cc(Cl)cn1C ZINC000044890682 343518291 /nfs/dbraw/zinc/51/82/91/343518291.db2.gz JDFGLARKCZRKPT-UHFFFAOYSA-N 0 0 214.696 2.161 50 0 BEAARN O=C(CCOc1ccc(F)cc1)NCC1CC1 ZINC000045341433 343528224 /nfs/dbraw/zinc/52/82/24/343528224.db2.gz MFZRXFGSQFBANL-UHFFFAOYSA-N 0 0 237.274 2.121 50 0 BEAARN CC[C@@H]1CCCCN1C(=O)Cn1cccc1C=O ZINC000072331886 343659729 /nfs/dbraw/zinc/65/97/29/343659729.db2.gz BGBSTSUHJICMDG-GFCCVEGCSA-N 0 0 248.326 2.092 50 0 BEAARN COc1ccc2c(cc3n2CCC3)c1O ZINC000221683085 346952935 /nfs/dbraw/zinc/95/29/35/346952935.db2.gz SBNQTDRTVXFSCR-UHFFFAOYSA-N 0 0 203.241 2.302 50 0 BEAARN CCCC(=O)n1nc(-c2cccc(C)c2)nc1N ZINC000021804733 343742578 /nfs/dbraw/zinc/74/25/78/343742578.db2.gz MWESCVUSKSCSRD-UHFFFAOYSA-N 0 0 244.298 2.276 50 0 BEAARN CCC1(C)COC2(OC1)c1ccccc1NC2=O ZINC000004126189 168454580 /nfs/dbraw/zinc/45/45/80/168454580.db2.gz IMDTYSFILNDLKF-UHFFFAOYSA-N 0 0 247.294 2.255 50 0 BEAARN CC(C)n1c2c(sc1=S)CS(=O)(=O)C2 ZINC000000520237 346970613 /nfs/dbraw/zinc/97/06/13/346970613.db2.gz UALBPWKUNFMNNN-UHFFFAOYSA-N 0 0 249.382 2.288 50 0 BEAARN CNc1ccccc1C(C)(C)c1cc(=O)[nH][nH]1 ZINC000005497264 537819687 /nfs/dbraw/zinc/81/96/87/537819687.db2.gz GICHWNNBGDDDFC-UHFFFAOYSA-N 0 0 231.299 2.483 50 0 BEAARN CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1CO ZINC000066054706 343842868 /nfs/dbraw/zinc/84/28/68/343842868.db2.gz IMAIYZZQVVKONO-VIFPVBQESA-N 0 0 229.320 2.014 50 0 BEAARN Cc1cn2c(nnc2-c2ccncc2)s1 ZINC000000553724 347004732 /nfs/dbraw/zinc/00/47/32/347004732.db2.gz OKFKEOPSEZGKTR-UHFFFAOYSA-N 0 0 216.269 2.161 50 0 BEAARN Cc1nccc(N2CCC[C@@H]2C(F)F)n1 ZINC000334323043 343869205 /nfs/dbraw/zinc/86/92/05/343869205.db2.gz YVQQDCPAOFFGPI-MRVPVSSYSA-N 0 0 213.231 2.019 50 0 BEAARN CC(C)(C(=O)Nc1cccnc1)C(F)F ZINC000334625499 343897759 /nfs/dbraw/zinc/89/77/59/343897759.db2.gz PRZUAJILDPJUJM-UHFFFAOYSA-N 0 0 214.215 2.311 50 0 BEAARN C[C@@H](NC(=O)[C@@H]1CCCS1)C(C)(F)F ZINC000334681942 343902271 /nfs/dbraw/zinc/90/22/71/343902271.db2.gz CKKORMFLWUFBNJ-RQJHMYQMSA-N 0 0 223.288 2.042 50 0 BEAARN Cc1cc(C)n(C(=O)c2c(F)cccc2F)n1 ZINC000000037162 344042861 /nfs/dbraw/zinc/04/28/61/344042861.db2.gz DYNZIFXNSLSDSA-UHFFFAOYSA-N 0 0 236.221 2.467 50 0 BEAARN C=CC(=O)NCC(C)(C)CC1CCOCC1 ZINC000585140680 344171935 /nfs/dbraw/zinc/17/19/35/344171935.db2.gz FJUYMEMEDNRRJW-UHFFFAOYSA-N 0 0 225.332 2.132 50 0 BEAARN Cc1csc(CNC(=O)/C=C/c2ccco2)n1 ZINC000029888036 344129874 /nfs/dbraw/zinc/12/98/74/344129874.db2.gz IKXRATJTLRCFAF-SNAWJCMRSA-N 0 0 248.307 2.374 50 0 BEAARN Cc1cc(C)n(CCC(=O)NC2CCCCC2)n1 ZINC000023174950 344133156 /nfs/dbraw/zinc/13/31/56/344133156.db2.gz NWOBEATWPKEJFT-UHFFFAOYSA-N 0 0 249.358 2.339 50 0 BEAARN CSc1nc(C)cc(OC(F)F)n1 ZINC000000067541 344150583 /nfs/dbraw/zinc/15/05/83/344150583.db2.gz HGJRGQWMXBGPDK-UHFFFAOYSA-N 0 0 206.217 2.108 50 0 BEAARN CC(C)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000000080112 344250549 /nfs/dbraw/zinc/25/05/49/344250549.db2.gz QVTRQASQYBGQIK-GFCCVEGCSA-N 0 0 246.310 2.153 50 0 BEAARN O=c1[nH]c2ccccc2n1-c1ccccc1F ZINC000041249608 344431902 /nfs/dbraw/zinc/43/19/02/344431902.db2.gz HIICLLACJBFIQA-UHFFFAOYSA-N 0 0 228.226 2.458 50 0 BEAARN O=C(NC[C@@H]1CCC[C@H]1O)Nc1cccs1 ZINC000072304777 344411972 /nfs/dbraw/zinc/41/19/72/344411972.db2.gz UWPICSKCXNDEAQ-DTWKUNHWSA-N 0 0 240.328 2.031 50 0 BEAARN CC[N@H+](Cc1cccs1)[C@H](C)C(=O)[O-] ZINC000042487894 344456503 /nfs/dbraw/zinc/45/65/03/344456503.db2.gz BIDFHZIGSAERHP-MRVPVSSYSA-N 0 0 213.302 2.043 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCc1cc(F)ccc1F ZINC000084686911 344460414 /nfs/dbraw/zinc/46/04/14/344460414.db2.gz GYWCRMAOCIDPNC-GMSGAONNSA-N 0 0 225.238 2.237 50 0 BEAARN Cc1ccc(F)c(NCc2ncc[nH]2)c1 ZINC000049714792 178676295 /nfs/dbraw/zinc/67/62/95/178676295.db2.gz PKPACCHOAGSAPZ-UHFFFAOYSA-N 0 0 205.236 2.469 50 0 BEAARN Cc1cc(C)n(CCNC(=O)CC2CCCC2)n1 ZINC000044158728 344541110 /nfs/dbraw/zinc/54/11/10/344541110.db2.gz ZJFULPPZKSHBJM-UHFFFAOYSA-N 0 0 249.358 2.196 50 0 BEAARN Cc1ccc(NC(=O)C[C@H]2C[C@H](C)OC2=O)cc1 ZINC000000174703 344594939 /nfs/dbraw/zinc/59/49/39/344594939.db2.gz QWOFJAJSGLHCCH-WDEREUQCSA-N 0 0 247.294 2.275 50 0 BEAARN Cc1ccc(F)cc1NC(=O)C1CCOCC1 ZINC000008769140 178689348 /nfs/dbraw/zinc/68/93/48/178689348.db2.gz SKXOFUZCDYFEMW-UHFFFAOYSA-N 0 0 237.274 2.499 50 0 BEAARN CC(C)(C)[C@@H]1CCc2n[nH]c(CO)c2C1 ZINC000167939945 349914452 /nfs/dbraw/zinc/91/44/52/349914452.db2.gz MABLHCFCPGDDNJ-MRVPVSSYSA-N 0 0 208.305 2.053 50 0 BEAARN CC(C)(C)NC=C1N=C(c2ccccc2)OC1=O ZINC000000181268 344601797 /nfs/dbraw/zinc/60/17/97/344601797.db2.gz NVPZVYZEFMRHQX-LUAWRHEFSA-N 0 0 244.294 2.220 50 0 BEAARN Cc1cc(C)n(C(=O)c2ccccc2F)n1 ZINC000000294147 344680144 /nfs/dbraw/zinc/68/01/44/344680144.db2.gz WCGINXVTQODWNC-UHFFFAOYSA-N 0 0 218.231 2.328 50 0 BEAARN Cc1ccc(N(C)CC2CCOCC2)c(N)c1 ZINC000042783215 178698776 /nfs/dbraw/zinc/69/87/76/178698776.db2.gz SAQMUNJREIVRKU-UHFFFAOYSA-N 0 0 234.343 2.440 50 0 BEAARN O=C(Oc1ccc(F)cc1)c1cccnc1 ZINC000000241600 344658138 /nfs/dbraw/zinc/65/81/38/344658138.db2.gz VWDZIVBCAOXJJF-UHFFFAOYSA-N 0 0 217.199 2.440 50 0 BEAARN Cc1cc(C)n(C(C)n2nc(C)cc2C)n1 ZINC000000259274 344663701 /nfs/dbraw/zinc/66/37/01/344663701.db2.gz XGOAPIRHXNVLFQ-UHFFFAOYSA-N 0 0 218.304 2.380 50 0 BEAARN O=C(c1cc(Cl)nnc1Cl)N1CCCC1 ZINC000000351547 344719940 /nfs/dbraw/zinc/71/99/40/344719940.db2.gz VOWGRMBTGVLUTA-UHFFFAOYSA-N 0 0 246.097 2.019 50 0 BEAARN Cc1cc(C)n(C(=O)/C=C\c2ccco2)n1 ZINC000033456266 344750475 /nfs/dbraw/zinc/75/04/75/344750475.db2.gz PBBZGCSDORUAJZ-WAYWQWQTSA-N 0 0 216.240 2.447 50 0 BEAARN O=C1CO[C@@H](c2ccccc2)[C@@H]2CCCCN12 ZINC000000386906 344740700 /nfs/dbraw/zinc/74/07/00/344740700.db2.gz DOMCFYUEFOEBGH-JSGCOSHPSA-N 0 0 231.295 2.139 50 0 BEAARN CSc1nnc(NC(=O)NC(C)(C)C)s1 ZINC000004851419 344742592 /nfs/dbraw/zinc/74/25/92/344742592.db2.gz IYDQFJZBGPZPLP-UHFFFAOYSA-N 0 0 246.361 2.180 50 0 BEAARN CC(C)C(=O)Nc1c2ccccc2oc1C(N)=O ZINC000004851859 344742620 /nfs/dbraw/zinc/74/26/20/344742620.db2.gz KFFDMFRQYDWNEB-UHFFFAOYSA-N 0 0 246.266 2.126 50 0 BEAARN COc1ccc(-c2cnc3nccnc3n2)cc1 ZINC000426529307 344752366 /nfs/dbraw/zinc/75/23/66/344752366.db2.gz MVHCGABFNBEVDO-UHFFFAOYSA-N 0 0 238.250 2.095 50 0 BEAARN Cc1ccc(NC(=O)C2=COCCO2)c(C)c1 ZINC000005558646 178720682 /nfs/dbraw/zinc/72/06/82/178720682.db2.gz NENFUPQALDQUMO-UHFFFAOYSA-N 0 0 233.267 2.130 50 0 BEAARN Cc1ccc(NC(=O)[C@H]2CCCO2)c(C)c1 ZINC000005538594 178747878 /nfs/dbraw/zinc/74/78/78/178747878.db2.gz PMAWUMLIODPLBT-GFCCVEGCSA-N 0 0 219.284 2.421 50 0 BEAARN Cc1ccc(NC(=O)c2cnccn2)cc1 ZINC000000190503 178754360 /nfs/dbraw/zinc/75/43/60/178754360.db2.gz KJVVRLJAZVEKDF-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1ccc(NC(=O)c2csnn2)cc1 ZINC000012062579 178754574 /nfs/dbraw/zinc/75/45/74/178754574.db2.gz GQNGZAOZWLCAIO-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN Cc1ccc(OCCCC(=O)NC2CC2)cc1 ZINC000014396772 178811212 /nfs/dbraw/zinc/81/12/12/178811212.db2.gz FTHXMGJSHIFPBE-UHFFFAOYSA-N 0 0 233.311 2.433 50 0 BEAARN COc1ccnc(OC)c1C(F)(F)F ZINC000238385751 345035572 /nfs/dbraw/zinc/03/55/72/345035572.db2.gz YBMSTESHOSQAJW-UHFFFAOYSA-N 0 0 207.151 2.118 50 0 BEAARN Cc1ccc(O[C@@H](C)C(=O)NC2CC2)c(C)c1 ZINC000008049091 178817321 /nfs/dbraw/zinc/81/73/21/178817321.db2.gz ZNAZPKNZPSPHEW-NSHDSACASA-N 0 0 233.311 2.349 50 0 BEAARN Cc1ccc(Oc2cc[n+]([O-])cc2)cc1 ZINC000071773162 178820320 /nfs/dbraw/zinc/82/03/20/178820320.db2.gz UOWJJOPWTYFELV-UHFFFAOYSA-N 0 0 201.225 2.421 50 0 BEAARN Cc1ccc(OC[C@H]2CCCO2)c(N)c1 ZINC000014629575 178815314 /nfs/dbraw/zinc/81/53/14/178815314.db2.gz OAHGPUWZFLWSIK-SNVBAGLBSA-N 0 0 207.273 2.135 50 0 BEAARN Cc1cccc(-c2cc(=O)[nH]c(=S)[nH]2)c1 ZINC000012016180 345112286 /nfs/dbraw/zinc/11/22/86/345112286.db2.gz GFHNRPUGDYIBMB-UHFFFAOYSA-N 0 0 218.281 2.408 50 0 BEAARN O=C(Nc1ccncc1)c1cccc(Cl)n1 ZINC000051072613 345234179 /nfs/dbraw/zinc/23/41/79/345234179.db2.gz CCZOOWVBFKEKSF-UHFFFAOYSA-N 0 0 233.658 2.382 50 0 BEAARN CCC(C)(C)[C@@H](O)C(=O)Nc1ccccc1O ZINC000635401313 345344726 /nfs/dbraw/zinc/34/47/26/345344726.db2.gz JXKYXDBMVDRSJS-NSHDSACASA-N 0 0 237.299 2.128 50 0 BEAARN O=C1CCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000000401162 345463438 /nfs/dbraw/zinc/46/34/38/345463438.db2.gz CYGYYRKVXRJNOQ-UHFFFAOYSA-N 0 0 227.622 2.133 50 0 BEAARN CC[C@H]1CN(c2ncccc2Cl)CCO1 ZINC000088700219 345543434 /nfs/dbraw/zinc/54/34/34/345543434.db2.gz XYXQLBSLORLXMX-VIFPVBQESA-N 0 0 226.707 2.350 50 0 BEAARN CCCC(=O)N(C)c1nc2ccccc2n1C ZINC000097141778 168534662 /nfs/dbraw/zinc/53/46/62/168534662.db2.gz MWHQSMMJMMFMQZ-UHFFFAOYSA-N 0 0 231.299 2.336 50 0 BEAARN Cc1ccc(-c2cccn3nc(N)nc23)cc1 ZINC000082730745 345715629 /nfs/dbraw/zinc/71/56/29/345715629.db2.gz HXBXPHPEFDUFJP-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN Clc1ccc(OCCn2cncn2)cc1 ZINC000000236023 345823484 /nfs/dbraw/zinc/82/34/84/345823484.db2.gz AWNYEMOIKREGNN-UHFFFAOYSA-N 0 0 223.663 2.011 50 0 BEAARN O=[N+]([O-])C(/C=C(\Cl)[N+](=O)[O-])=C(Cl)Cl ZINC000017249651 345776417 /nfs/dbraw/zinc/77/64/17/345776417.db2.gz FLKXTZSOAHMIPV-HNQUOIGGSA-N 0 0 247.421 2.267 50 0 BEAARN CCOC(=O)c1ccc(C(F)(F)F)nc1OC ZINC000261257842 345791352 /nfs/dbraw/zinc/79/13/52/345791352.db2.gz GWDVBEQZRHDKBS-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN COc1cc(NC(=O)[C@H]2C[C@@H]2C)ccc1F ZINC000189446688 345825141 /nfs/dbraw/zinc/82/51/41/345825141.db2.gz SUQRMRFVNRPRNM-CBAPKCEASA-N 0 0 223.247 2.429 50 0 BEAARN Cn1ccnc1-c1cncc(Br)c1 ZINC000082739516 537913420 /nfs/dbraw/zinc/91/34/20/537913420.db2.gz IOFYWMKFWQUIGH-UHFFFAOYSA-N 0 0 238.088 2.245 50 0 BEAARN Cc1ccc2[nH]c3c(ncnc3N(C)C)c2c1 ZINC000000117480 178935159 /nfs/dbraw/zinc/93/51/59/178935159.db2.gz UKBRIGBOECICTE-UHFFFAOYSA-N 0 0 226.283 2.486 50 0 BEAARN COC(=O)N[C@@H](C)CCc1ccccc1 ZINC000000461746 345876433 /nfs/dbraw/zinc/87/64/33/345876433.db2.gz PQARRPNUWVTQLX-JTQLQIEISA-N 0 0 207.273 2.364 50 0 BEAARN Cc1ccc([S@@](=O)Cc2ccccn2)nc1 ZINC000191183605 345991674 /nfs/dbraw/zinc/99/16/74/345991674.db2.gz LGPFGTHRVRFHEM-INIZCTEOSA-N 0 0 232.308 2.093 50 0 BEAARN CCC(CC)(CC)SCCC(=O)NC(N)=O ZINC000191935033 346075633 /nfs/dbraw/zinc/07/56/33/346075633.db2.gz PZQYPIYEMAVKSZ-UHFFFAOYSA-N 0 0 246.376 2.273 50 0 BEAARN CCCC(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ZINC000021793271 168543861 /nfs/dbraw/zinc/54/38/61/168543861.db2.gz BDGXHJLEGDJQRE-JTQLQIEISA-N 0 0 246.310 2.408 50 0 BEAARN Cc1cccc(-c2cc(=O)[nH]c(C)n2)c1 ZINC000012016179 178992533 /nfs/dbraw/zinc/99/25/33/178992533.db2.gz WWMWFMGERSRVIF-UHFFFAOYSA-N 0 0 200.241 2.054 50 0 BEAARN Cc1cc(C)n(CC(=O)Nc2ccccc2)n1 ZINC000002464596 346161185 /nfs/dbraw/zinc/16/11/85/346161185.db2.gz CSPPPOLWSQKSFJ-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN Cc1cccc(-c2noc3nc(C)[nH]c(=O)c23)c1 ZINC000064541742 179000308 /nfs/dbraw/zinc/00/03/08/179000308.db2.gz LTXANSQRJLRFPR-UHFFFAOYSA-N 0 0 241.250 2.195 50 0 BEAARN Cn1ccnc1SCC(=O)c1cccs1 ZINC000005387408 346204455 /nfs/dbraw/zinc/20/44/55/346204455.db2.gz AXYALDDOEIEPAC-UHFFFAOYSA-N 0 0 238.337 2.457 50 0 BEAARN Cc1cnc(C(=O)Nc2ccc(F)c(F)c2)cn1 ZINC000001351654 346204876 /nfs/dbraw/zinc/20/48/76/346204876.db2.gz VHDWOGYOEMMUHA-UHFFFAOYSA-N 0 0 249.220 2.316 50 0 BEAARN CCOC(=O)C(=O)c1ccc2occc2c1 ZINC000139830408 346231056 /nfs/dbraw/zinc/23/10/56/346231056.db2.gz DUDKRTSWPCGTAL-UHFFFAOYSA-N 0 0 218.208 2.179 50 0 BEAARN Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2O)c1 ZINC000010543129 179005624 /nfs/dbraw/zinc/00/56/24/179005624.db2.gz MSJXKDKGLDMETH-UONOGXRCSA-N 0 0 247.338 2.371 50 0 BEAARN CC(C)=CC/C=C1\CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000018192105 346247164 /nfs/dbraw/zinc/24/71/64/346247164.db2.gz XPGHNXMVHVOVHW-VDUSXYPOSA-N 0 0 233.311 2.342 50 0 BEAARN Cc1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000005547945 179013322 /nfs/dbraw/zinc/01/33/22/179013322.db2.gz CRTSCPLAEBMXEI-RYUDHWBXSA-N 0 0 233.311 2.244 50 0 BEAARN CCc1nc(Cc2ccc(OC)cc2)no1 ZINC000034379043 346255491 /nfs/dbraw/zinc/25/54/91/346255491.db2.gz RLSBBTJGQDGUGX-UHFFFAOYSA-N 0 0 218.256 2.231 50 0 BEAARN Cc1cccc(C(=O)NCC2(O)CCCC2)c1 ZINC000036110392 179016081 /nfs/dbraw/zinc/01/60/81/179016081.db2.gz UEXBBHVYNZTDCG-UHFFFAOYSA-N 0 0 233.311 2.030 50 0 BEAARN Cc1cccc(C(=O)N[C@H](C)Cc2ccco2)n1 ZINC000033209411 179023792 /nfs/dbraw/zinc/02/37/92/179023792.db2.gz KATVJXMYPROLEC-LLVKDONJSA-N 0 0 244.294 2.344 50 0 BEAARN Cc1cccc(C)c1C(=O)N[C@@H](C)[C@H](C)CO ZINC000095441343 179031171 /nfs/dbraw/zinc/03/11/71/179031171.db2.gz ZGAHCYHKPHXQFJ-NEPJUHHUSA-N 0 0 235.327 2.050 50 0 BEAARN Cc1cccc(C)c1C(=O)N[C@H](CO)C(C)C ZINC000095994467 179031866 /nfs/dbraw/zinc/03/18/66/179031866.db2.gz JVOOQDFIEFYGPZ-GFCCVEGCSA-N 0 0 235.327 2.050 50 0 BEAARN Cc1cc(C)n(C(=O)c2cccc(C)c2)n1 ZINC000000493387 179027032 /nfs/dbraw/zinc/02/70/32/179027032.db2.gz JHMXMEFWWLGQOR-UHFFFAOYSA-N 0 0 214.268 2.497 50 0 BEAARN Cc1ccn(C(=O)c2cccc(C)c2)n1 ZINC000000504479 179027418 /nfs/dbraw/zinc/02/74/18/179027418.db2.gz VNYQXFXYOQNZEW-UHFFFAOYSA-N 0 0 200.241 2.188 50 0 BEAARN Cc1cccc(C)c1NC(=O)COC(=O)C1CC1 ZINC000003392842 179040244 /nfs/dbraw/zinc/04/02/44/179040244.db2.gz BEXROOFGTVBIRG-UHFFFAOYSA-N 0 0 247.294 2.195 50 0 BEAARN Cc1cccc(C)c1OCCN1CCOCC1 ZINC000019639858 179046403 /nfs/dbraw/zinc/04/64/03/179046403.db2.gz CHAJWWILXLJMEO-UHFFFAOYSA-N 0 0 235.327 2.014 50 0 BEAARN Cc1cccc(C2CC(=O)CC(=O)C2)c1 ZINC000100014329 179051868 /nfs/dbraw/zinc/05/18/68/179051868.db2.gz PNVNVCYTGLOTGK-UHFFFAOYSA-N 0 0 202.253 2.401 50 0 BEAARN Cc1cccc(CC(=O)Nc2ccon2)c1 ZINC000006726563 179053193 /nfs/dbraw/zinc/05/31/93/179053193.db2.gz AFEIJLUSZUKBHP-UHFFFAOYSA-N 0 0 216.240 2.164 50 0 BEAARN Cc1cccc(CCCn2ncccc2=O)c1 ZINC000195421855 179055690 /nfs/dbraw/zinc/05/56/90/179055690.db2.gz CDGRFZVELGSICB-UHFFFAOYSA-N 0 0 228.295 2.185 50 0 BEAARN Cc1nnc([C@@H](C)N(C)Cc2cccc(C)n2)o1 ZINC000330978515 179069390 /nfs/dbraw/zinc/06/93/90/179069390.db2.gz IPQQCKKHVMLLCL-SNVBAGLBSA-N 0 0 246.314 2.274 50 0 BEAARN O=C1CSC2(N1)C1CC3CC(C1)CC2C3 ZINC000000105019 346401200 /nfs/dbraw/zinc/40/12/00/346401200.db2.gz SGWGCHAABBOHPD-UHFFFAOYSA-N 0 0 223.341 2.002 50 0 BEAARN COc1cc(=O)[nH]c(SCc2ccccc2)n1 ZINC000000307160 346411697 /nfs/dbraw/zinc/41/16/97/346411697.db2.gz GWQDHWOTOAQYRM-UHFFFAOYSA-N 0 0 248.307 2.071 50 0 BEAARN CC(C)=CC(=O)NC(=S)Nc1ccccc1 ZINC000000409408 346418441 /nfs/dbraw/zinc/41/84/41/346418441.db2.gz ALLAUBRSJKEUCC-UHFFFAOYSA-N 0 0 234.324 2.466 50 0 BEAARN Cc1cccc(CNC(=O)NCC2CC2)c1 ZINC000045038807 179087363 /nfs/dbraw/zinc/08/73/63/179087363.db2.gz MPEQLSVVOUUTRC-UHFFFAOYSA-N 0 0 218.300 2.204 50 0 BEAARN CCCC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000078985657 168556510 /nfs/dbraw/zinc/55/65/10/168556510.db2.gz ZJHBMFOUTBXNMF-LBPRGKRZSA-N 0 0 237.347 2.424 50 0 BEAARN Cc1cccc(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1 ZINC000019787736 179095702 /nfs/dbraw/zinc/09/57/02/179095702.db2.gz ULLFDOWKVBFKOM-GFCCVEGCSA-N 0 0 221.300 2.194 50 0 BEAARN Cc1cccc(I)c1N ZINC000036456921 179110460 /nfs/dbraw/zinc/11/04/60/179110460.db2.gz JJYIGUPWQAFKQH-UHFFFAOYSA-N 0 0 233.052 2.182 50 0 BEAARN CC[C@H](NS(=O)(=O)CC)c1ccc(C)cc1 ZINC000002771099 346531587 /nfs/dbraw/zinc/53/15/87/346531587.db2.gz CBUCMHXYFDRGKM-LBPRGKRZSA-N 0 0 241.356 2.385 50 0 BEAARN CCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000003093774 346545664 /nfs/dbraw/zinc/54/56/64/346545664.db2.gz IJEMWDWGMNIBGU-UHFFFAOYSA-N 0 0 209.245 2.052 50 0 BEAARN O=Cc1ccc(Cl)cc1-n1cccn1 ZINC000163055822 346546218 /nfs/dbraw/zinc/54/62/18/346546218.db2.gz DRJDHUKNTFKNNQ-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN Cc1ccc(NC(=O)CN2CCCC2)cc1F ZINC000007786242 346546818 /nfs/dbraw/zinc/54/68/18/346546818.db2.gz DXHDGOFQIURQCA-UHFFFAOYSA-N 0 0 236.290 2.168 50 0 BEAARN Cc1cccc(F)c1NC(=O)C1CCOCC1 ZINC000096494076 179109468 /nfs/dbraw/zinc/10/94/68/179109468.db2.gz KDEOTDXRKACVLN-UHFFFAOYSA-N 0 0 237.274 2.499 50 0 BEAARN Cc1ccc(N[C@H]2SC(=O)N(C)C2=O)cc1 ZINC000004450718 346601325 /nfs/dbraw/zinc/60/13/25/346601325.db2.gz PRZVOLCSRRTEFV-VIFPVBQESA-N 0 0 236.296 2.058 50 0 BEAARN CC(C)CC[C@H](C)NC(=O)/C=C\c1cnn(C)c1 ZINC000210350489 346567868 /nfs/dbraw/zinc/56/78/68/346567868.db2.gz ZMGJIVISUSCTHE-KRZKBDHCSA-N 0 0 249.358 2.374 50 0 BEAARN Cc1cc(C)cc(CSCC(N)=O)c1 ZINC000006476788 346649620 /nfs/dbraw/zinc/64/96/20/346649620.db2.gz KYFFOQWUYFQHCH-UHFFFAOYSA-N 0 0 209.314 2.022 50 0 BEAARN Cc1nnc(SCC(=O)c2cccs2)o1 ZINC000006861500 346656755 /nfs/dbraw/zinc/65/67/55/346656755.db2.gz VQEMPDSOONSHJU-UHFFFAOYSA-N 0 0 240.309 2.415 50 0 BEAARN Cc1cccc(NC(=O)Nc2cnn(C)c2)c1 ZINC000043273409 179137921 /nfs/dbraw/zinc/13/79/21/179137921.db2.gz YVFOCCSJQYUBRX-UHFFFAOYSA-N 0 0 230.271 2.373 50 0 BEAARN Cc1nc(CC(=O)Nc2cccc(C)n2)cs1 ZINC000023114637 179130490 /nfs/dbraw/zinc/13/04/90/179130490.db2.gz MSDYXAYWJVBWAU-UHFFFAOYSA-N 0 0 247.323 2.336 50 0 BEAARN CCCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000009448483 168563298 /nfs/dbraw/zinc/56/32/98/168563298.db2.gz LOQZULFUSSFOAG-UHFFFAOYSA-N 0 0 234.299 2.127 50 0 BEAARN CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC=CCC1 ZINC000098012530 346730855 /nfs/dbraw/zinc/73/08/55/346730855.db2.gz RHVORVWTCXKBGG-STQMWFEESA-N 0 0 236.359 2.086 50 0 BEAARN CCc1cnc(NC(=O)N2CCCC2)s1 ZINC000098014277 346733086 /nfs/dbraw/zinc/73/30/86/346733086.db2.gz AUTZFUGAGBYBRZ-UHFFFAOYSA-N 0 0 225.317 2.333 50 0 BEAARN Cc1cccc(OCC(=O)NC2CCCC2)c1 ZINC000000326708 179163042 /nfs/dbraw/zinc/16/30/42/179163042.db2.gz KICAEEQPWKPHGH-UHFFFAOYSA-N 0 0 233.311 2.433 50 0 BEAARN Cc1cccc(OCC(=O)Nc2nccs2)c1 ZINC000000136293 179163144 /nfs/dbraw/zinc/16/31/44/179163144.db2.gz KBKNLCSFOAMJOO-UHFFFAOYSA-N 0 0 248.307 2.469 50 0 BEAARN Cc1cc(NC(=O)COc2cccc(C)c2)no1 ZINC000000362706 179163630 /nfs/dbraw/zinc/16/36/30/179163630.db2.gz KQZRMAVKHADACK-UHFFFAOYSA-N 0 0 246.266 2.309 50 0 BEAARN Cc1cccc(OCCCN2CCOCC2)c1C ZINC000019595566 179164817 /nfs/dbraw/zinc/16/48/17/179164817.db2.gz VXIWAAYIIYSTKJ-UHFFFAOYSA-N 0 0 249.354 2.405 50 0 BEAARN Cc1cccc(OCCNC(=O)NC(C)C)c1 ZINC000032862594 179168186 /nfs/dbraw/zinc/16/81/86/179168186.db2.gz LPUAZHDKTJXJBT-UHFFFAOYSA-N 0 0 236.315 2.081 50 0 BEAARN Cc1cccc(Oc2nn(C)cc2N)c1C ZINC000095836622 179176170 /nfs/dbraw/zinc/17/61/70/179176170.db2.gz ICXILLHOJSHWLD-UHFFFAOYSA-N 0 0 217.272 2.411 50 0 BEAARN Cc1cccc([C@H](C(=O)N2CCCC2)N(C)C)c1 ZINC000095363377 179192318 /nfs/dbraw/zinc/19/23/18/179192318.db2.gz XDHDWYBCZKVGBI-CQSZACIVSA-N 0 0 246.354 2.220 50 0 BEAARN Cc1cccc2c1CCN2C(=O)[C@@H]1CCCOC1 ZINC000089688966 179213176 /nfs/dbraw/zinc/21/31/76/179213176.db2.gz ZCHXRZMFKZPDSA-GFCCVEGCSA-N 0 0 245.322 2.311 50 0 BEAARN Cc1ccccc1-c1nc(Cn2ccnc2)no1 ZINC000064543401 179238294 /nfs/dbraw/zinc/23/82/94/179238294.db2.gz SEWBUSKPFCMYIG-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN Cc1ccccc1C=C1SC(=O)NC1=O ZINC000012408932 179244787 /nfs/dbraw/zinc/24/47/87/179244787.db2.gz PWNAVEGPVDNSIM-TWGQIWQCSA-N 0 0 219.265 2.319 50 0 BEAARN Cc1ccccc1C=C1SC(=O)NC1=O ZINC000003029884 179244866 /nfs/dbraw/zinc/24/48/66/179244866.db2.gz PWNAVEGPVDNSIM-RMKNXTFCSA-N 0 0 219.265 2.319 50 0 BEAARN Cc1cccnc1C(F)(F)C(=O)OC(C)C ZINC000193823823 347507441 /nfs/dbraw/zinc/50/74/41/347507441.db2.gz XKRJMDNBIBSILN-UHFFFAOYSA-N 0 0 229.226 2.433 50 0 BEAARN Cc1ccccc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000016580353 179251982 /nfs/dbraw/zinc/25/19/82/179251982.db2.gz SIJYYDVQRNQKBK-DGCLKSJQSA-N 0 0 233.311 2.292 50 0 BEAARN CCOC(=O)c1ccc(OC)nc1C(F)(F)F ZINC000149834213 347528155 /nfs/dbraw/zinc/52/81/55/347528155.db2.gz UXQHSHIZZNMPSD-UHFFFAOYSA-N 0 0 249.188 2.286 50 0 BEAARN CN(C)CC(=O)Nc1ccc(C2CC2)c(F)c1 ZINC000195580106 347642318 /nfs/dbraw/zinc/64/23/18/347642318.db2.gz PTGKEIQQFDDCNG-UHFFFAOYSA-N 0 0 236.290 2.203 50 0 BEAARN Cc1cccc(N[C@H](C)CCN2CCCC2=O)n1 ZINC000195566826 347647196 /nfs/dbraw/zinc/64/71/96/347647196.db2.gz CUIOEWRTPPSCMR-GFCCVEGCSA-N 0 0 247.342 2.203 50 0 BEAARN O=C(OCCCn1cccn1)C1=CCCCC1 ZINC000195572712 347647811 /nfs/dbraw/zinc/64/78/11/347647811.db2.gz HFWBUTJXKPTWOI-UHFFFAOYSA-N 0 0 234.299 2.317 50 0 BEAARN Cc1ccccc1CNC(=O)NC(C)C ZINC000012985359 179278784 /nfs/dbraw/zinc/27/87/84/179278784.db2.gz KPGZJHNMTBEMKQ-UHFFFAOYSA-N 0 0 206.289 2.203 50 0 BEAARN CC(C)c1cc(CN[C@@H]2CCCOC2)no1 ZINC000534587379 323154280 /nfs/dbraw/zinc/15/42/80/323154280.db2.gz CJEQEEPXTMRFOD-SNVBAGLBSA-N 0 0 224.304 2.067 50 0 BEAARN CC(C)c1cc(CN[C@H]2CCCOC2)no1 ZINC000534587378 323154282 /nfs/dbraw/zinc/15/42/82/323154282.db2.gz CJEQEEPXTMRFOD-JTQLQIEISA-N 0 0 224.304 2.067 50 0 BEAARN COc1cncc(-c2c(F)cncc2F)c1 ZINC000669380921 537992569 /nfs/dbraw/zinc/99/25/69/537992569.db2.gz SPSPYGMMRQORAW-UHFFFAOYSA-N 0 0 222.194 2.430 50 0 BEAARN Cc1ccccc1NC(=O)NC[C@@](C)(O)C1CC1 ZINC000062021804 179300611 /nfs/dbraw/zinc/30/06/11/179300611.db2.gz QBLDGIGMNXXHJB-CQSZACIVSA-N 0 0 248.326 2.278 50 0 BEAARN Cc1ccccc1NC(=O)c1ncccn1 ZINC000072446746 179303155 /nfs/dbraw/zinc/30/31/55/179303155.db2.gz BJWZURHZTWQICY-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1ccccc1NS(=O)(=O)CC(C)C ZINC000002755968 179305562 /nfs/dbraw/zinc/30/55/62/179305562.db2.gz IEOIUFLCLWJRAA-UHFFFAOYSA-N 0 0 227.329 2.393 50 0 BEAARN Cc1ccccc1NC(=O)C(F)(F)F ZINC000000126350 179297437 /nfs/dbraw/zinc/29/74/37/179297437.db2.gz GJXFGIBZJFSTNW-UHFFFAOYSA-N 0 0 203.163 2.496 50 0 BEAARN Cc1ccccc1Nc1nc(N)nc(Cl)n1 ZINC000004663207 179308275 /nfs/dbraw/zinc/30/82/75/179308275.db2.gz WQSZJTCCRNXOKM-UHFFFAOYSA-N 0 0 235.678 2.159 50 0 BEAARN Cc1ccccc1OCC(=O)NC1CCCC1 ZINC000000826236 179309598 /nfs/dbraw/zinc/30/95/98/179309598.db2.gz XLVJNCBJSDOHDF-UHFFFAOYSA-N 0 0 233.311 2.433 50 0 BEAARN Cc1ccccc1O[C@H](C)C(=O)N1CCCC1 ZINC000004833513 179312351 /nfs/dbraw/zinc/31/23/51/179312351.db2.gz AYTDMGCBSYLNTA-GFCCVEGCSA-N 0 0 233.311 2.385 50 0 BEAARN Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@H](O)C1 ZINC000085378495 179316235 /nfs/dbraw/zinc/31/62/35/179316235.db2.gz HGVCGPPOINAEML-STQMWFEESA-N 0 0 247.338 2.082 50 0 BEAARN CCCc1c(Cl)nc2ccccn2c1=O ZINC000725244076 537996703 /nfs/dbraw/zinc/99/67/03/537996703.db2.gz DLUCOKVTLFERBO-UHFFFAOYSA-N 0 0 222.675 2.300 50 0 BEAARN O=C1Oc2ccccc2[C@]2(O)[C@@H]3CCCC[C@@H]3[C@@H]12 ZINC000169615768 187390188 /nfs/dbraw/zinc/39/01/88/187390188.db2.gz RQWNVDAJWFMNDY-FMRSBHEDSA-N 0 0 244.290 2.229 50 0 BEAARN Cc1ccc(CNC(=O)OC(C)(C)C)cn1 ZINC000057354535 187395918 /nfs/dbraw/zinc/39/59/18/187395918.db2.gz QIYSAVKHVPIBIO-UHFFFAOYSA-N 0 0 222.288 2.415 50 0 BEAARN Cc1ccnc(N(C)OCc2ccccc2)n1 ZINC000071781016 179428479 /nfs/dbraw/zinc/42/84/79/179428479.db2.gz NNVUSAPRNRZZDT-UHFFFAOYSA-N 0 0 229.283 2.353 50 0 BEAARN CCc1nsc(SCCn2cccn2)n1 ZINC000128650975 349992123 /nfs/dbraw/zinc/99/21/23/349992123.db2.gz DLHKQSWVGAETND-UHFFFAOYSA-N 0 0 240.357 2.089 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)Nc1cc(C)ccn1 ZINC000097372756 179438304 /nfs/dbraw/zinc/43/83/04/179438304.db2.gz OYDMNCCXULIFRD-UHFFFAOYSA-N 0 0 245.286 2.374 50 0 BEAARN CC[C@@]1(C(=O)OC)O[C@@]1(CC)C(C)C ZINC000669383085 538007008 /nfs/dbraw/zinc/00/70/08/538007008.db2.gz GCSKYMVAGIXNJK-QWRGUYRKSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1ccsc1C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000045445914 179535749 /nfs/dbraw/zinc/53/57/49/179535749.db2.gz MZHBLKBTMIASOU-UWVGGRQHSA-N 0 0 239.340 2.306 50 0 BEAARN Cc1cnc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cn1 ZINC000089702220 179572639 /nfs/dbraw/zinc/57/26/39/179572639.db2.gz CTHXAURJHWXPAZ-VXGBXAGGSA-N 0 0 245.326 2.047 50 0 BEAARN COc1n[nH]c2c1cccc2Br ZINC000084311234 348806953 /nfs/dbraw/zinc/80/69/53/348806953.db2.gz VYHUQVBJZHAXKC-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN CC[C@H](C)[C@@]1(C)O[C@@]1(CC)C(=O)OC ZINC000669384325 538014945 /nfs/dbraw/zinc/01/49/45/538014945.db2.gz SZINVWZUNDFDCD-GDPRMGEGSA-N 0 0 200.278 2.143 50 0 BEAARN CC[C@H](C)[C@@]1(C)O[C@]1(CC)C(=O)OC ZINC000669384327 538015595 /nfs/dbraw/zinc/01/55/95/538015595.db2.gz SZINVWZUNDFDCD-JMJZKYOTSA-N 0 0 200.278 2.143 50 0 BEAARN Cc1c(Cc2ccccc2)sc(N)c1C(N)=O ZINC000000125483 187407770 /nfs/dbraw/zinc/40/77/70/187407770.db2.gz SVRNCQRVCHVFGG-UHFFFAOYSA-N 0 0 246.335 2.328 50 0 aggregator BEAARN Cc1cnc(N2C(=O)c3ccccc3C2=O)s1 ZINC000002879997 187410143 /nfs/dbraw/zinc/41/01/43/187410143.db2.gz AMHZPAKRQGUVCK-UHFFFAOYSA-N 0 0 244.275 2.252 50 0 BEAARN C=CC(=O)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]21 ZINC000002555619 187410303 /nfs/dbraw/zinc/41/03/03/187410303.db2.gz FUAUEJPEWIQMAI-IIRVCBMXSA-N 0 0 204.269 2.316 50 0 BEAARN Cn1c(Cl)c(Cl)nc1Br ZINC000019702725 187416948 /nfs/dbraw/zinc/41/69/48/187416948.db2.gz MELULNLISMUDSX-UHFFFAOYSA-N 0 0 229.892 2.489 50 0 BEAARN COc1ccc([C@@H](C(=O)[O-])[NH+]2CCCCC2)cc1 ZINC000008699012 187413284 /nfs/dbraw/zinc/41/32/84/187413284.db2.gz CBMNAADKSPPWGJ-ZDUSSCGKSA-N 0 0 249.310 2.307 50 0 BEAARN Cc1csc(CNC(=O)C(C)(C)C)n1 ZINC000029885903 179774427 /nfs/dbraw/zinc/77/44/27/179774427.db2.gz FNBQAJHEGQAPCG-UHFFFAOYSA-N 0 0 212.318 2.114 50 0 BEAARN S=C1N=NC(NCc2ccccc2)S1 ZINC000001443672 190971740 /nfs/dbraw/zinc/97/17/40/190971740.db2.gz QWHHWOMUBFYDRB-UHFFFAOYSA-N 0 0 223.326 2.439 50 0 BEAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CC1 ZINC000095453699 179833698 /nfs/dbraw/zinc/83/36/98/179833698.db2.gz DSCAPUXXJHIVKL-LLVKDONJSA-N 0 0 248.330 2.035 50 0 BEAARN Cc1c(N)ccc(Br)c1C#N ZINC000145661371 349335617 /nfs/dbraw/zinc/33/56/17/349335617.db2.gz MOMBMFUFKAKPAF-UHFFFAOYSA-N 0 0 211.062 2.211 50 0 BEAARN Cc1nc(-c2cc[nH]c(=S)n2)cs1 ZINC000000123050 179868839 /nfs/dbraw/zinc/86/88/39/179868839.db2.gz YBLKNODDQAOXAP-UHFFFAOYSA-N 0 0 209.299 2.197 50 0 BEAARN Cn1ncnc1SCOCc1ccccc1 ZINC000185764141 349361982 /nfs/dbraw/zinc/36/19/82/349361982.db2.gz PEUVLYHZFJTHTG-UHFFFAOYSA-N 0 0 235.312 2.082 50 0 BEAARN Cc1nc(CNC(=O)Nc2cccnc2)cs1 ZINC000040553489 179964235 /nfs/dbraw/zinc/96/42/35/179964235.db2.gz MWVBCAONXCXVHC-UHFFFAOYSA-N 0 0 248.311 2.168 50 0 BEAARN Cc1nc(CNc2cccc(C)c2F)no1 ZINC000271801588 179977084 /nfs/dbraw/zinc/97/70/84/179977084.db2.gz IXZNEJWTMMVJBZ-UHFFFAOYSA-N 0 0 221.235 2.438 50 0 BEAARN Cc1nc(Cl)c(C(N)=O)c(C)c1Cl ZINC000000054139 179985311 /nfs/dbraw/zinc/98/53/11/179985311.db2.gz IHXGELAZSSLGOE-UHFFFAOYSA-N 0 0 219.071 2.104 50 0 BEAARN Cc1nc(Cl)cc(NC[C@@]2(C)CCOC2)n1 ZINC000079089907 179988617 /nfs/dbraw/zinc/98/86/17/179988617.db2.gz SZPCDOTVSUEDCR-LLVKDONJSA-N 0 0 241.722 2.277 50 0 BEAARN Cc1nc(N(C)C)sc1Br ZINC000072192979 179996765 /nfs/dbraw/zinc/99/67/65/179996765.db2.gz FOVWUNAVVVQDST-UHFFFAOYSA-N 0 0 221.123 2.280 50 0 BEAARN Cc1nc(=NN)c2c3c(sc2[nH]1)CCCC3 ZINC000000078271 180020560 /nfs/dbraw/zinc/02/05/60/180020560.db2.gz IAVYMPZJWVYGJY-UHFFFAOYSA-N 0 0 234.328 2.164 50 0 BEAARN CC(C)C(=O)Nc1nnc(C(C)C)s1 ZINC000000795817 350095301 /nfs/dbraw/zinc/09/53/01/350095301.db2.gz JOPFRASOGPSPIY-UHFFFAOYSA-N 0 0 213.306 2.256 50 0 BEAARN Cc1nnc([C@H](C)Nc2ccc3cc[nH]c3n2)[nH]1 ZINC000072158791 180053497 /nfs/dbraw/zinc/05/34/97/180053497.db2.gz MFWPMRYQRBMAFF-ZETCQYMHSA-N 0 0 242.286 2.163 50 0 BEAARN Cc1nc2c(s1)c(-c1ccco1)n[nH]c2=O ZINC000026421288 180065406 /nfs/dbraw/zinc/06/54/06/180065406.db2.gz QDKGIMAUOAOZNK-UHFFFAOYSA-N 0 0 233.252 2.360 50 0 BEAARN Cc1nc(SCc2ccon2)[nH]c1C ZINC000096136914 180030688 /nfs/dbraw/zinc/03/06/88/180030688.db2.gz QAFMLJJATBYTDV-UHFFFAOYSA-N 0 0 209.274 2.307 50 0 BEAARN Cc1nc2cc(Br)cnc2o1 ZINC000041226762 180075575 /nfs/dbraw/zinc/07/55/75/180075575.db2.gz CJLGQBJRFKPOLW-UHFFFAOYSA-N 0 0 213.034 2.294 50 0 BEAARN Cc1cccc(C)c1CNC(=O)C(F)F ZINC000390833812 350133801 /nfs/dbraw/zinc/13/38/01/350133801.db2.gz NLQCFMALCXMHBG-UHFFFAOYSA-N 0 0 213.227 2.185 50 0 BEAARN Cc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](C)N2 ZINC000095471671 180114359 /nfs/dbraw/zinc/11/43/59/180114359.db2.gz DJVKJKTUBCAKLX-JOYOIKCWSA-N 0 0 228.299 2.380 50 0 BEAARN Cc1nc2nc(-c3ccccc3)cn2nc1C ZINC000000085438 180114380 /nfs/dbraw/zinc/11/43/80/180114380.db2.gz SJKTZSQYBRCPAO-UHFFFAOYSA-N 0 0 224.267 2.408 50 0 BEAARN Cc1nc2ccccc2n1-c1ccc(N)cn1 ZINC000012398985 180101477 /nfs/dbraw/zinc/10/14/77/180101477.db2.gz CQIWVCANHIOQBC-UHFFFAOYSA-N 0 0 224.267 2.311 50 0 BEAARN Cc1nc2ccccc2n1C[C@@H](O)C(F)(F)F ZINC000068877915 180104701 /nfs/dbraw/zinc/10/47/01/180104701.db2.gz WIWPZUODOSEPJR-SNVBAGLBSA-N 0 0 244.216 2.268 50 0 BEAARN Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000000316054 180117810 /nfs/dbraw/zinc/11/78/10/180117810.db2.gz WCXZYDAAYHPZCD-ZCFIWIBFSA-N 0 0 234.324 2.418 50 0 BEAARN CCOC(=O)C(O)=CC(=O)c1ccc(C)cc1C ZINC000100407705 191063220 /nfs/dbraw/zinc/06/32/20/191063220.db2.gz XYVHEIVBAQRIGE-UHFFFAOYSA-N 0 0 248.278 2.008 50 0 BEAARN Clc1nc2c(c(N3CCCC3)n1)NC=CN2 ZINC000101374922 191064398 /nfs/dbraw/zinc/06/43/98/191064398.db2.gz SRMGZHHYTGEPSL-UHFFFAOYSA-N 0 0 237.694 2.039 50 0 BEAARN Cc1ncc(Cl)c(C(=O)N2CCCCC2)n1 ZINC000098012889 180162865 /nfs/dbraw/zinc/16/28/65/180162865.db2.gz WIMPEYBGYRDDKR-UHFFFAOYSA-N 0 0 239.706 2.065 50 0 BEAARN Cc1ncc(CNC(=O)C2CCCC2)s1 ZINC000032611485 180148329 /nfs/dbraw/zinc/14/83/29/180148329.db2.gz MBIYFPVPGLYNRL-UHFFFAOYSA-N 0 0 224.329 2.258 50 0 BEAARN CCCCOc1cccc(NC(N)=O)c1 ZINC000146204674 191073928 /nfs/dbraw/zinc/07/39/28/191073928.db2.gz MKJYJCNHVHAGJA-UHFFFAOYSA-N 0 0 208.261 2.356 50 0 BEAARN Cc1nccc(N[C@@H]2CCCCC[C@@H]2CO)n1 ZINC000097014134 180203415 /nfs/dbraw/zinc/20/34/15/180203415.db2.gz YOYHOGQSPJEWKD-VXGBXAGGSA-N 0 0 235.331 2.138 50 0 BEAARN Cc1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2 ZINC000095093305 180177820 /nfs/dbraw/zinc/17/78/20/180177820.db2.gz MFFOVBHZCZAHIG-UHFFFAOYSA-N 0 0 249.314 2.078 50 0 BEAARN CCCCC(=O)NC[C@H](c1ccco1)N(C)C ZINC000009483430 168620845 /nfs/dbraw/zinc/62/08/45/168620845.db2.gz KPIGIKXUCUILKY-LLVKDONJSA-N 0 0 238.331 2.189 50 0 BEAARN Cc1ncc2c(c1C(N)=S)[C@@H](C)CCC2 ZINC000072447010 180178524 /nfs/dbraw/zinc/17/85/24/180178524.db2.gz KOJGFWFVINEQKK-ZETCQYMHSA-N 0 0 220.341 2.464 50 0 BEAARN CCCCC(=O)NCc1ccc2c(c1)OCCO2 ZINC000021911167 168621310 /nfs/dbraw/zinc/62/13/10/168621310.db2.gz OVFLBAFDTUCNKB-UHFFFAOYSA-N 0 0 249.310 2.264 50 0 BEAARN Cc1ncccc1NCc1cn(C(C)(C)C)nn1 ZINC000189956662 180225908 /nfs/dbraw/zinc/22/59/08/180225908.db2.gz BCZDTKJHSLHYCR-UHFFFAOYSA-N 0 0 245.330 2.349 50 0 BEAARN Brc1nnc(N2CCCCC2)s1 ZINC000072137450 187442232 /nfs/dbraw/zinc/44/22/32/187442232.db2.gz LRFWHDNXGNEGIW-UHFFFAOYSA-N 0 0 248.149 2.291 50 0 BEAARN Cc1nccn1-c1ncnc2ccccc21 ZINC000041495753 180230538 /nfs/dbraw/zinc/23/05/38/180230538.db2.gz OBHXHBRNAREXDK-UHFFFAOYSA-N 0 0 210.240 2.124 50 0 BEAARN CC(C)[C@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000071908047 187442507 /nfs/dbraw/zinc/44/25/07/187442507.db2.gz YKLZPNIUYQIPBG-QWHCGFSZSA-N 0 0 239.359 2.450 50 0 BEAARN Cc1nccn1CCCNc1ccc(F)cn1 ZINC000225820986 180246917 /nfs/dbraw/zinc/24/69/17/180246917.db2.gz CHVSJACBIQKJJY-UHFFFAOYSA-N 0 0 234.278 2.228 50 0 BEAARN Cc1c(N)ccc(I)c1C ZINC000034213066 350258615 /nfs/dbraw/zinc/25/86/15/350258615.db2.gz ZHZXYCMLUZIDEB-UHFFFAOYSA-N 0 0 247.079 2.490 50 0 BEAARN CCCCC(=O)Nc1cc(N)ccc1OC ZINC000012843296 168625844 /nfs/dbraw/zinc/62/58/44/168625844.db2.gz WXIJCMMIBKRMFY-UHFFFAOYSA-N 0 0 222.288 2.406 50 0 BEAARN Cc1nccn1Cc1nc(-c2ccccc2)no1 ZINC000029937813 180267685 /nfs/dbraw/zinc/26/76/85/180267685.db2.gz VZSSRJNJZIYENU-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN Cc1ncnc2ccnc(C(F)(F)F)c12 ZINC000096336481 180290706 /nfs/dbraw/zinc/29/07/06/180290706.db2.gz BCICKVIGGRKXAL-UHFFFAOYSA-N 0 0 213.162 2.352 50 0 BEAARN COc1ccc(-c2ccc(OC)nc2)cn1 ZINC000038293494 350312255 /nfs/dbraw/zinc/31/22/55/350312255.db2.gz KAXHWXGWCLMXDM-UHFFFAOYSA-N 0 0 216.240 2.161 50 0 BEAARN Cc1ncsc1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000136832268 180316887 /nfs/dbraw/zinc/31/68/87/180316887.db2.gz GGMHEAGKULWFBM-MNOVXSKESA-N 0 0 240.372 2.044 50 0 BEAARN CC(=O)c1csc(Nc2ccccn2)n1 ZINC000225661195 350369354 /nfs/dbraw/zinc/36/93/54/350369354.db2.gz HWAVUIHEPXGUJF-UHFFFAOYSA-N 0 0 219.269 2.484 50 0 BEAARN Cc1ncsc1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000089565375 180302716 /nfs/dbraw/zinc/30/27/16/180302716.db2.gz UQECXWWIKIESSX-DTORHVGOSA-N 0 0 236.340 2.180 50 0 BEAARN CCc1ccsc1C(=O)Nc1cnns1 ZINC000225554606 350365657 /nfs/dbraw/zinc/36/56/57/350365657.db2.gz VWOPSBWENJMFMB-UHFFFAOYSA-N 0 0 239.325 2.414 50 0 BEAARN CCOc1ccc(/C=C/C(=O)OC)cc1OC ZINC000040456785 350366089 /nfs/dbraw/zinc/36/60/89/350366089.db2.gz SFYMFSUPKNCUPC-SOFGYWHQSA-N 0 0 236.267 2.280 50 0 BEAARN Cc1ncsc1C(=O)N[C@H](C)c1cccnc1 ZINC000046741419 180306704 /nfs/dbraw/zinc/30/67/04/180306704.db2.gz NBXSTPHINPEGQG-MRVPVSSYSA-N 0 0 247.323 2.338 50 0 BEAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1 ZINC000024752704 180336354 /nfs/dbraw/zinc/33/63/54/180336354.db2.gz GAUPNMFTJPFSET-UHFFFAOYSA-N 0 0 243.310 2.218 50 0 BEAARN Cc1ccc(NC(=O)N(CCO)C2CC2)c(C)c1 ZINC000040525361 350375226 /nfs/dbraw/zinc/37/52/26/350375226.db2.gz ZVLNABGKDPYJMM-UHFFFAOYSA-N 0 0 248.326 2.292 50 0 BEAARN Cc1nn(C(=O)c2ccncc2)c(C)c1Cl ZINC000001000004 180332076 /nfs/dbraw/zinc/33/20/76/180332076.db2.gz YCKMMEWZFSKOHG-UHFFFAOYSA-N 0 0 235.674 2.237 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000002782033 180333759 /nfs/dbraw/zinc/33/37/59/180333759.db2.gz RQRCWQHWRXZXDQ-BXKDBHETSA-N 0 0 249.358 2.345 50 0 BEAARN CCCCC(=O)Nc1ccccc1-n1cncn1 ZINC000025005486 168627357 /nfs/dbraw/zinc/62/73/57/168627357.db2.gz IYUFSEJWUKLZTE-UHFFFAOYSA-N 0 0 244.298 2.396 50 0 BEAARN Cc1nn(C)c(C)c1C(=O)Nc1ccc(F)cc1 ZINC000040477849 180334596 /nfs/dbraw/zinc/33/45/96/180334596.db2.gz WOEHZDWBYRIVDS-UHFFFAOYSA-N 0 0 247.273 2.428 50 0 BEAARN CC1(C)CN(c2ccc(Cl)cn2)C1=O ZINC000001387667 350392890 /nfs/dbraw/zinc/39/28/90/350392890.db2.gz KKYNWSMKWAJEMG-UHFFFAOYSA-N 0 0 210.664 2.108 50 0 BEAARN Cc1nn(C)c(C)c1OC(=O)OC(C)(C)C ZINC000092255374 180345884 /nfs/dbraw/zinc/34/58/84/180345884.db2.gz QYKNNKYZXWNOBK-UHFFFAOYSA-N 0 0 226.276 2.351 50 0 BEAARN Cc1nn(C)c2nc(C(F)(F)F)ccc12 ZINC000002741005 180363905 /nfs/dbraw/zinc/36/39/05/180363905.db2.gz DNQFKZWUGVUYIM-UHFFFAOYSA-N 0 0 215.178 2.296 50 0 BEAARN Cc1nn(C)c2ncc(NC(C)C)cc12 ZINC000037084848 180366113 /nfs/dbraw/zinc/36/61/13/180366113.db2.gz ISNUTYMBBJISHE-UHFFFAOYSA-N 0 0 204.277 2.097 50 0 BEAARN Cc1nn(C)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000018087462 180368392 /nfs/dbraw/zinc/36/83/92/180368392.db2.gz YWZNTEHWDWSPGT-AOOOYVTPSA-N 0 0 235.331 2.132 50 0 BEAARN CC(=O)OCC12COC(C)(C[C@H]1C)C[C@H]2C ZINC000000273463 191108592 /nfs/dbraw/zinc/10/85/92/191108592.db2.gz XUKHTJZFVQWUKR-ITSCGTHASA-N 0 0 226.316 2.391 50 0 biogenic BEAARN Cc1nnc(C(=O)NCCC2=CCCC2)s1 ZINC000185495675 180397645 /nfs/dbraw/zinc/39/76/45/180397645.db2.gz HYTHWEQJQRDXCU-UHFFFAOYSA-N 0 0 237.328 2.077 50 0 BEAARN CC(=O)N1CCC(Nc2ccc(C)cc2)CC1 ZINC000004912050 191110585 /nfs/dbraw/zinc/11/05/85/191110585.db2.gz BYSSHJACTSXIPT-UHFFFAOYSA-N 0 0 232.327 2.418 50 0 BEAARN Cc1nnc(NC(=O)c2ccccc2C)s1 ZINC000000361756 180431517 /nfs/dbraw/zinc/43/15/17/180431517.db2.gz LXBRRZMQOLQTFC-UHFFFAOYSA-N 0 0 233.296 2.407 50 0 BEAARN Cc1ncc(Cl)c(C(=O)OC[C@@H]2C[C@@H]2C)n1 ZINC000076090294 362970231 /nfs/dbraw/zinc/97/02/31/362970231.db2.gz GBJQZVCXGQGFRY-XPUUQOCRSA-N 0 0 240.690 2.251 50 0 BEAARN Cc1nnc2[nH]c(-c3ccccc3Cl)nn12 ZINC000002751440 180450822 /nfs/dbraw/zinc/45/08/22/180450822.db2.gz SFJJVCWQAITMIE-UHFFFAOYSA-N 0 0 233.662 2.081 50 0 BEAARN Cc1nc(N)nc(C)c1Cc1ccccc1 ZINC000000546637 191117355 /nfs/dbraw/zinc/11/73/55/191117355.db2.gz OOXQQUJJUAIJJC-UHFFFAOYSA-N 0 0 213.284 2.266 50 0 BEAARN Cc1cccn(CC2CC(F)(F)C2)c1=O ZINC000334581152 350700445 /nfs/dbraw/zinc/70/04/45/350700445.db2.gz WYXVDBGSYBTNQX-UHFFFAOYSA-N 0 0 213.227 2.202 50 0 BEAARN CC(C)(C)OC(=O)C=C(N)c1ccccc1 ZINC000004663854 191119477 /nfs/dbraw/zinc/11/94/77/191119477.db2.gz XBXBHCHTZDLWGE-LUAWRHEFSA-N 0 0 219.284 2.328 50 0 BEAARN CC(=O)OC[C@@]12COC[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000004027151 187469414 /nfs/dbraw/zinc/46/94/14/187469414.db2.gz PUIXWPWZUOZSNM-XCCSTKFXSA-N 0 0 238.327 2.414 50 0 biogenic BEAARN Cc1noc2ncnc(N(C)Cc3ccco3)c12 ZINC000021650623 180502325 /nfs/dbraw/zinc/50/23/25/180502325.db2.gz WVCNOZLWNUFAMG-UHFFFAOYSA-N 0 0 244.254 2.156 50 0 BEAARN CCNC(=O)C1CCC(C(F)(F)F)CC1 ZINC000216451598 350726378 /nfs/dbraw/zinc/72/63/78/350726378.db2.gz IJADWXXMAVNYJY-UHFFFAOYSA-N 0 0 223.238 2.491 50 0 BEAARN CC(C)(C)c1cc(NC(=O)C2CC2)no1 ZINC000005355251 191122077 /nfs/dbraw/zinc/12/20/77/191122077.db2.gz SSCBEUWAMORONB-UHFFFAOYSA-N 0 0 208.261 2.321 50 0 BEAARN CC(C)C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000025156460 350930962 /nfs/dbraw/zinc/93/09/62/350930962.db2.gz GPWWKWWGCNRIIP-UHFFFAOYSA-N 0 0 230.271 2.066 50 0 BEAARN Cc1occc1C(=O)N[C@H](C)c1ccncc1 ZINC000004750102 180538166 /nfs/dbraw/zinc/53/81/66/180538166.db2.gz MZIPXVZUZDOHJT-SECBINFHSA-N 0 0 230.267 2.474 50 0 BEAARN Cc1occc1COC(=O)C1(C)CCOCC1 ZINC000071905089 180543836 /nfs/dbraw/zinc/54/38/36/180543836.db2.gz YIFNWMSUHRUSJG-UHFFFAOYSA-N 0 0 238.283 2.448 50 0 BEAARN CCc1c(C)scc1C(=O)N1CCOCC1 ZINC000001054910 350990512 /nfs/dbraw/zinc/99/05/12/350990512.db2.gz WKSKKHXKNQVWNM-UHFFFAOYSA-N 0 0 239.340 2.091 50 0 BEAARN Cc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000001100088 351013025 /nfs/dbraw/zinc/01/30/25/351013025.db2.gz LCWXKXQNPIDGOK-UHFFFAOYSA-N 0 0 221.281 2.190 50 0 BEAARN CO[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000034726694 351149444 /nfs/dbraw/zinc/14/94/44/351149444.db2.gz SIUNLOZEQSBXJC-GFCCVEGCSA-N 0 0 235.283 2.044 50 0 BEAARN Clc1cc(Br)c2nccn2n1 ZINC000044831771 180574477 /nfs/dbraw/zinc/57/44/77/180574477.db2.gz LZEJQXOCRMRVNP-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN Clc1cc(I)ccn1 ZINC000001439383 180575719 /nfs/dbraw/zinc/57/57/19/180575719.db2.gz KJKIPRQNFDUULB-UHFFFAOYSA-N 0 0 239.443 2.340 50 0 in-vitro BEAARN Clc1cccc(CNCc2cc[nH]n2)c1 ZINC000041014453 180590193 /nfs/dbraw/zinc/59/01/93/180590193.db2.gz VUASYNVHTLXRGY-UHFFFAOYSA-N 0 0 221.691 2.353 50 0 BEAARN COc1ccccc1NC(=O)NCC1CC1 ZINC000012874304 187478813 /nfs/dbraw/zinc/47/88/13/187478813.db2.gz QXHXSCXDGXQRCZ-UHFFFAOYSA-N 0 0 220.272 2.227 50 0 BEAARN CCCC1N=NC(=S)N1Cc1ccco1 ZINC000005979148 351354719 /nfs/dbraw/zinc/35/47/19/351354719.db2.gz MLLNQFIEHUOJBR-UHFFFAOYSA-N 0 0 223.301 2.161 50 0 BEAARN Clc1ccnc2n[nH]c(Br)c21 ZINC000095616363 180597904 /nfs/dbraw/zinc/59/79/04/180597904.db2.gz OGWYOQMBDWXWIL-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Cn1c2ccc(Br)cc2sc1=N ZINC000002455276 180609161 /nfs/dbraw/zinc/60/91/61/180609161.db2.gz KOKMNRMHKISQCT-UHFFFAOYSA-N 0 0 243.129 2.482 50 0 BEAARN C/C=C\C(=O)O[C@@H](C)COCCCC ZINC000025624573 187493670 /nfs/dbraw/zinc/49/36/70/187493670.db2.gz NTFWVBVBSKLUNH-BXKUYDPTSA-N 0 0 200.278 2.311 50 0 BEAARN CN=c1scc(-c2ccc3c(c2)OCO3)n1C ZINC000606347497 351601159 /nfs/dbraw/zinc/60/11/59/351601159.db2.gz SCCWFKXCVRSWDN-UHFFFAOYSA-N 0 0 248.307 2.013 50 0 BEAARN Cn1cc(-c2nnc(-c3cccs3)o2)cn1 ZINC000002731245 180627870 /nfs/dbraw/zinc/62/78/70/180627870.db2.gz XRXYKUBWIBZZJU-UHFFFAOYSA-N 0 0 232.268 2.199 50 0 BEAARN Cn1cc(CCNc2nccc3occc32)cn1 ZINC000091453890 180640480 /nfs/dbraw/zinc/64/04/80/180640480.db2.gz ZUPSRLKWPKNIKA-UHFFFAOYSA-N 0 0 242.282 2.216 50 0 BEAARN CC(C)(C)NC(=O)N1CCOc2ccccc2C1 ZINC000124912580 191143507 /nfs/dbraw/zinc/14/35/07/191143507.db2.gz RVNDLHNYKSDWFV-UHFFFAOYSA-N 0 0 248.326 2.389 50 0 BEAARN COc1ncccc1-c1[nH]nc2ncccc21 ZINC000426640392 191144233 /nfs/dbraw/zinc/14/42/33/191144233.db2.gz MCASGFAUUNKHMT-UHFFFAOYSA-N 0 0 226.239 2.029 50 0 BEAARN Cn1cc(NCc2ccc(F)cc2F)cn1 ZINC000035737907 180660758 /nfs/dbraw/zinc/66/07/58/180660758.db2.gz MESATAXNJYJQSZ-UHFFFAOYSA-N 0 0 223.226 2.310 50 0 BEAARN C[C@@H](C(=O)Nc1nccs1)n1cccc1 ZINC000130509921 363106396 /nfs/dbraw/zinc/10/63/96/363106396.db2.gz LDYLNVBKZNOTDA-QMMMGPOBSA-N 0 0 221.285 2.144 50 0 BEAARN CC(C)c1cc(C(=O)N[C@@H]2CCSC2)on1 ZINC000032541195 352137559 /nfs/dbraw/zinc/13/75/59/352137559.db2.gz BJPXKMGDLPOVCK-MRVPVSSYSA-N 0 0 240.328 2.033 50 0 BEAARN CCCNC(=O)c1ccc(-c2c(C)n[nH]c2C)o1 ZINC000534660359 352599330 /nfs/dbraw/zinc/59/93/30/352599330.db2.gz NMCFSWUKRVDMBY-UHFFFAOYSA-N 0 0 247.298 2.426 50 0 BEAARN COc1cc(Br)c2ccnn2c1 ZINC000091691633 187754748 /nfs/dbraw/zinc/75/47/48/187754748.db2.gz WOKOIVXIZPPZFL-UHFFFAOYSA-N 0 0 227.061 2.105 50 0 BEAARN O=C(C[C@H]1CCOC1)Nc1ccc(F)cc1 ZINC000335836893 352562717 /nfs/dbraw/zinc/56/27/17/352562717.db2.gz MBIGETHTQNJNOF-SECBINFHSA-N 0 0 223.247 2.191 50 0 BEAARN CC(C)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000045143238 352566352 /nfs/dbraw/zinc/56/63/52/352566352.db2.gz XVOMFFAGRRGLDO-GFCCVEGCSA-N 0 0 218.300 2.401 50 0 BEAARN COc1ccc(OCc2ccccn2)c(C=O)c1 ZINC000021952070 187762873 /nfs/dbraw/zinc/76/28/73/187762873.db2.gz PZJIEYBOHZIPIN-UHFFFAOYSA-N 0 0 243.262 2.482 50 0 BEAARN O=C1C[C@@H]2CCC[C@H](c3ccccc3)[C@@]2(O)O1 ZINC000004023401 352580846 /nfs/dbraw/zinc/58/08/46/352580846.db2.gz ZMWQOEWNVDTTKC-SCRDCRAPSA-N 0 0 232.279 2.206 50 0 biogenic BEAARN COc1ccc(NC(=O)C(C)(C)C)cn1 ZINC000027332054 187764831 /nfs/dbraw/zinc/76/48/31/187764831.db2.gz ZCAJSPFZEIWRSF-UHFFFAOYSA-N 0 0 208.261 2.075 50 0 BEAARN Cn1cnc2c1cc(Cl)nc2Cl ZINC000085220992 180774339 /nfs/dbraw/zinc/77/43/39/180774339.db2.gz VCZOGUNYQWANJZ-UHFFFAOYSA-N 0 0 202.044 2.275 50 0 BEAARN O=Cc1c(F)cc(OC(F)F)cc1F ZINC000307487403 352621380 /nfs/dbraw/zinc/62/13/80/352621380.db2.gz CAXBLTLWIYNKJS-UHFFFAOYSA-N 0 0 208.110 2.379 50 0 BEAARN CSc1ncc2ccc(Br)n2n1 ZINC000095707785 187800794 /nfs/dbraw/zinc/80/07/94/187800794.db2.gz DHXIYHKKUAXQFV-UHFFFAOYSA-N 0 0 244.117 2.214 50 0 BEAARN CC(C)(O)c1ccnc(Br)c1 ZINC000097758926 187801747 /nfs/dbraw/zinc/80/17/47/187801747.db2.gz NHORTBSMGTXPHB-UHFFFAOYSA-N 0 0 216.078 2.072 50 0 BEAARN COc1ccc([C@H]2CC(C)=Nc3ncnn32)cc1 ZINC000100730927 187803024 /nfs/dbraw/zinc/80/30/24/187803024.db2.gz BVJUIDZVIIIWNO-GFCCVEGCSA-N 0 0 242.282 2.205 50 0 BEAARN CC(C)Cn1cc(/C=C/c2ccncn2)cn1 ZINC000180746996 187820524 /nfs/dbraw/zinc/82/05/24/187820524.db2.gz WKXZTAXZJPRCQR-ONEGZZNKSA-N 0 0 228.299 2.500 50 0 BEAARN CC(C)(CNC(=O)CC1CC1)C(F)(F)F ZINC000241316965 187842266 /nfs/dbraw/zinc/84/22/66/187842266.db2.gz LWMAYPONJWBMPN-UHFFFAOYSA-N 0 0 223.238 2.491 50 0 BEAARN Cc1ccsc1C(=O)N1C[C@H](C)OC[C@H]1C ZINC000045445916 352766904 /nfs/dbraw/zinc/76/69/04/352766904.db2.gz MZHBLKBTMIASOU-ZJUUUORDSA-N 0 0 239.340 2.306 50 0 BEAARN CCn1c(=O)[nH]nc1S[C@H]1CC[C@@H](C)C1 ZINC000334197398 352789260 /nfs/dbraw/zinc/78/92/60/352789260.db2.gz KWIBEJPRGQYRFX-SFYZADRCSA-N 0 0 227.333 2.284 50 0 BEAARN CCCCCC[C@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000005712104 168680391 /nfs/dbraw/zinc/68/03/91/168680391.db2.gz HKDGCSSFNOHHPI-IUCAKERBSA-N 0 0 217.334 2.073 50 0 BEAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000066091399 180827130 /nfs/dbraw/zinc/82/71/30/180827130.db2.gz LZRYDSRIXOGDJB-SNVBAGLBSA-N 0 0 245.257 2.033 50 0 BEAARN N#CNCc1cccc(C(F)(F)F)c1 ZINC000052832085 353107953 /nfs/dbraw/zinc/10/79/53/353107953.db2.gz LPIBGMHJSBMGKE-UHFFFAOYSA-N 0 0 200.163 2.276 50 0 BEAARN Cn1nccc1CNc1nccc2occc21 ZINC000091428270 180846989 /nfs/dbraw/zinc/84/69/89/180846989.db2.gz VKPIORBTYNRVHX-UHFFFAOYSA-N 0 0 228.255 2.173 50 0 BEAARN CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000034146260 188060626 /nfs/dbraw/zinc/06/06/26/188060626.db2.gz UKMAKHCSDTXLJN-SECBINFHSA-N 0 0 215.293 2.032 50 0 BEAARN CC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000000082436 188098745 /nfs/dbraw/zinc/09/87/45/188098745.db2.gz UHCVPUSBZDLSQF-SECBINFHSA-N 0 0 232.235 2.149 50 0 BEAARN Cc1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000000063658 188098755 /nfs/dbraw/zinc/09/87/55/188098755.db2.gz FSPLLUZSJRDMAS-UHFFFAOYSA-N 0 0 245.278 2.283 50 0 BEAARN Cc1nc(N)sc1C(=O)OCc1ccccc1 ZINC000000151580 188099040 /nfs/dbraw/zinc/09/90/40/188099040.db2.gz HLWCDBMPOBLJIX-UHFFFAOYSA-N 0 0 248.307 2.391 50 0 BEAARN CCC(=O)NC(=S)Nc1ccc(C)cc1 ZINC000000456659 188099243 /nfs/dbraw/zinc/09/92/43/188099243.db2.gz NBPMLPAFEMARNU-UHFFFAOYSA-N 0 0 222.313 2.218 50 0 BEAARN CC(C)N(C(=O)c1cccnc1)C(C)C ZINC000000394119 188099426 /nfs/dbraw/zinc/09/94/26/188099426.db2.gz RHBRDTJXGNWOGY-UHFFFAOYSA-N 0 0 206.289 2.341 50 0 BEAARN CC(=O)CC(=O)Nc1c(C)cccc1C ZINC000000297205 188099515 /nfs/dbraw/zinc/09/95/15/188099515.db2.gz NDVRDNPIOIFXSL-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN CC(=O)Oc1ccccc1C(=O)NCCC(C)C ZINC000000441457 188100025 /nfs/dbraw/zinc/10/00/25/188100025.db2.gz FPLLOTUINKTPBN-UHFFFAOYSA-N 0 0 249.310 2.388 50 0 BEAARN CCn1ccc(C(=O)Nc2ccc(C)cc2)n1 ZINC000002761870 188100730 /nfs/dbraw/zinc/10/07/30/188100730.db2.gz GWNIPRVVTVOVDO-UHFFFAOYSA-N 0 0 229.283 2.464 50 0 BEAARN Cc1cc(N)n2nc(-c3ccccc3)cc2n1 ZINC000002484459 188100841 /nfs/dbraw/zinc/10/08/41/188100841.db2.gz LFUQVYHILDSEMA-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN CCc1cccc(C)c1NC(=O)COC(C)=O ZINC000002646318 188100985 /nfs/dbraw/zinc/10/09/85/188100985.db2.gz WJAPITLZDXLKEC-UHFFFAOYSA-N 0 0 235.283 2.059 50 0 BEAARN Ic1ccc2c(c1)CCO2 ZINC000004208876 188101713 /nfs/dbraw/zinc/10/17/13/188101713.db2.gz BSLVNOLUEJOXMR-UHFFFAOYSA-N 0 0 246.047 2.226 50 0 BEAARN C[C@H](NC(=O)C1CC1)c1ccc2c(c1)OCCO2 ZINC000005747315 188103163 /nfs/dbraw/zinc/10/31/63/188103163.db2.gz SBKUUNINEYBUAC-VIFPVBQESA-N 0 0 247.294 2.045 50 0 BEAARN Cc1ccc(C(=O)N2N=C(N)SC2(C)C)cc1 ZINC000006844997 188103254 /nfs/dbraw/zinc/10/32/54/188103254.db2.gz NBKJVWIGGFTQGY-UHFFFAOYSA-N 0 0 249.339 2.150 50 0 BEAARN Cc1ccc(OCCSc2nc[nH]n2)cc1 ZINC000008507230 188103684 /nfs/dbraw/zinc/10/36/84/188103684.db2.gz QATKMGCORJRFDJ-UHFFFAOYSA-N 0 0 235.312 2.284 50 0 BEAARN CC(=O)c1cnc(Nc2cccnc2)s1 ZINC000012336564 188105158 /nfs/dbraw/zinc/10/51/58/188105158.db2.gz HYNNFQPKDRDYKE-UHFFFAOYSA-N 0 0 219.269 2.484 50 0 BEAARN C/C=C/CSc1nc2nc(C)cc(C)n2n1 ZINC000012362774 188105199 /nfs/dbraw/zinc/10/51/99/188105199.db2.gz WUXBWNRNAUIBMZ-SNAWJCMRSA-N 0 0 234.328 2.409 50 0 BEAARN Cc1cccc(-c2noc(Cn3cccn3)n2)c1 ZINC000076062587 188086669 /nfs/dbraw/zinc/08/66/69/188086669.db2.gz UZRGYBMRFBZLFZ-UHFFFAOYSA-N 0 0 240.266 2.290 50 0 BEAARN CC(=O)c1cnn(-c2ccccc2C)c1 ZINC000019087965 188106703 /nfs/dbraw/zinc/10/67/03/188106703.db2.gz HGJGSNIKFGKXQM-UHFFFAOYSA-N 0 0 200.241 2.383 50 0 BEAARN CC(=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000016970248 188107311 /nfs/dbraw/zinc/10/73/11/188107311.db2.gz BPNJCCGZEFCFTF-UHFFFAOYSA-N 0 0 218.256 2.173 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N(C)[C@H](C)C1CC1 ZINC000040521138 188117867 /nfs/dbraw/zinc/11/78/67/188117867.db2.gz SJLRTCYHDDMQPZ-MNOVXSKESA-N 0 0 227.348 2.304 50 0 BEAARN CC(C)=CCS(=O)(=O)Cc1c(C)noc1C ZINC000040556030 188118300 /nfs/dbraw/zinc/11/83/00/188118300.db2.gz FMFSVPARESWCMV-UHFFFAOYSA-N 0 0 243.328 2.172 50 0 BEAARN CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@H]2C)s1 ZINC000042047902 188119230 /nfs/dbraw/zinc/11/92/30/188119230.db2.gz PKHAWROBGLPYHN-HTQZYQBOSA-N 0 0 239.344 2.331 50 0 BEAARN CC(C)CO[C@H](C)C(=O)N(C)Cc1ccco1 ZINC000042380201 188119366 /nfs/dbraw/zinc/11/93/66/188119366.db2.gz WKFYMWUPRAGGPW-LLVKDONJSA-N 0 0 239.315 2.299 50 0 BEAARN CC(C)Cc1nnc(NC(=O)[C@H]2C[C@@H]2C)s1 ZINC000042047899 188119385 /nfs/dbraw/zinc/11/93/85/188119385.db2.gz PKHAWROBGLPYHN-YUMQZZPRSA-N 0 0 239.344 2.331 50 0 BEAARN Cc1nn(C(F)F)cc1Br ZINC000042384276 188119721 /nfs/dbraw/zinc/11/97/21/188119721.db2.gz CRXSLMHZTLIPNE-UHFFFAOYSA-N 0 0 211.009 2.349 50 0 BEAARN CC(=O)Nc1cc(C)nn1Cc1ccccc1 ZINC000013701297 188105989 /nfs/dbraw/zinc/10/59/89/188105989.db2.gz QEAWQMPGEFGPDT-UHFFFAOYSA-N 0 0 229.283 2.198 50 0 BEAARN CC(=O)Oc1ccccc1C(=O)C(F)(F)F ZINC000091677900 188145059 /nfs/dbraw/zinc/14/50/59/188145059.db2.gz ZDSJPINRUMZWHZ-UHFFFAOYSA-N 0 0 232.157 2.357 50 0 BEAARN O=C(NC(C1CC1)C1CC1)c1cc(C2CC2)n[nH]1 ZINC000044858219 188123706 /nfs/dbraw/zinc/12/37/06/188123706.db2.gz VRWYRMCWKGKJIR-UHFFFAOYSA-N 0 0 245.326 2.206 50 0 BEAARN CC(=O)Nc1cc(NC(=O)C2CC2)ccc1F ZINC000044906905 188123998 /nfs/dbraw/zinc/12/39/98/188123998.db2.gz DGJPKJDFKLBOTR-UHFFFAOYSA-N 0 0 236.246 2.133 50 0 BEAARN CC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000049227231 188124944 /nfs/dbraw/zinc/12/49/44/188124944.db2.gz RHWTXNOJWHGITQ-JTQLQIEISA-N 0 0 246.310 2.011 50 0 BEAARN Cc1nn(C)cc1C(=O)C(Cl)(Cl)Cl ZINC000066324296 188129529 /nfs/dbraw/zinc/12/95/29/188129529.db2.gz PHPMBUORXDCXOL-UHFFFAOYSA-N 0 0 241.505 2.281 50 0 BEAARN Fc1cc(Br)c2nccn2c1 ZINC000082534755 188138162 /nfs/dbraw/zinc/13/81/62/188138162.db2.gz USDJRHUYKUZVBQ-UHFFFAOYSA-N 0 0 215.025 2.236 50 0 BEAARN Brc1ncnn1Cc1ccccc1 ZINC000084051059 188143108 /nfs/dbraw/zinc/14/31/08/188143108.db2.gz SWXVFJSEBAADRF-UHFFFAOYSA-N 0 0 238.088 2.089 50 0 BEAARN Cc1cc(C)cc(C(=O)CC2OCCO2)c1 ZINC000085652262 188143360 /nfs/dbraw/zinc/14/33/60/188143360.db2.gz WBLULCNBNCOIBW-UHFFFAOYSA-N 0 0 220.268 2.249 50 0 BEAARN Cc1nnc(=S)n(Cc2ccccc2)c1C ZINC000001263392 188156633 /nfs/dbraw/zinc/15/66/33/188156633.db2.gz QGHZDWNJPZZFBZ-UHFFFAOYSA-N 0 0 231.324 2.266 50 0 BEAARN CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000247102 188158736 /nfs/dbraw/zinc/15/87/36/188158736.db2.gz YRBAXJPAHJQACU-UHFFFAOYSA-N 0 0 207.317 2.337 50 0 BEAARN Cc1cc(N)n(CCc2ccccc2)n1 ZINC000003162991 188160294 /nfs/dbraw/zinc/16/02/94/188160294.db2.gz GXCIRWLDRLTXOF-UHFFFAOYSA-N 0 0 201.273 2.016 50 0 BEAARN CC(C)Cc1nnc(NC(=O)C2CC2)s1 ZINC000008324780 188161948 /nfs/dbraw/zinc/16/19/48/188161948.db2.gz JRJBNLSEUHJYNM-UHFFFAOYSA-N 0 0 225.317 2.085 50 0 BEAARN FC(F)(F)c1cccc(-n2nnnc2Cl)c1 ZINC000004105433 180894883 /nfs/dbraw/zinc/89/48/83/180894883.db2.gz CEIULIRBKKDLLT-UHFFFAOYSA-N 0 0 248.595 2.335 50 0 BEAARN CC1(C)[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]21 ZINC000098013441 188148868 /nfs/dbraw/zinc/14/88/68/188148868.db2.gz LZVKEEQQPLTASF-PHIMTYICSA-N 0 0 207.317 2.291 50 0 BEAARN CC(=O)NCCCOc1cccc(C)c1F ZINC000097054564 188149240 /nfs/dbraw/zinc/14/92/40/188149240.db2.gz WJQPAGMRVHVMIQ-UHFFFAOYSA-N 0 0 225.263 2.039 50 0 BEAARN CCCn1ccc(C(=O)Nc2cc(C)ccn2)n1 ZINC000027971463 188180766 /nfs/dbraw/zinc/18/07/66/188180766.db2.gz UTDMUUOSJNCXQM-UHFFFAOYSA-N 0 0 244.298 2.249 50 0 BEAARN CC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000032744763 188180931 /nfs/dbraw/zinc/18/09/31/188180931.db2.gz ANAZIAJANSTCNX-UHFFFAOYSA-N 0 0 207.248 2.337 50 0 BEAARN CC(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C ZINC000227164670 188183891 /nfs/dbraw/zinc/18/38/91/188183891.db2.gz LTJMJGRORTYLCO-UHFFFAOYSA-N 0 0 247.298 2.319 50 0 BEAARN FC(F)c1cc(-c2ccco2)nc2ncnn21 ZINC000002800441 180909841 /nfs/dbraw/zinc/90/98/41/180909841.db2.gz KHMWICFTHYPZSH-UHFFFAOYSA-N 0 0 236.181 2.322 50 0 BEAARN C[C@H](Nc1cnccn1)[C@@H](O)c1ccc(F)cc1 ZINC000097104618 188189431 /nfs/dbraw/zinc/18/94/31/188189431.db2.gz FVCZAOIXBOXWPY-TVQRCGJNSA-N 0 0 247.273 2.150 50 0 BEAARN CC(=O)Nc1ccc(F)cc1NC1CC1 ZINC000098019319 188190615 /nfs/dbraw/zinc/19/06/15/188190615.db2.gz GAWRDFRPMUQQKA-UHFFFAOYSA-N 0 0 208.236 2.358 50 0 BEAARN CC(C)=CCNC(=O)N1CCC(F)(F)C1 ZINC000336567833 188231524 /nfs/dbraw/zinc/23/15/24/188231524.db2.gz DODZXYXVZQKJOE-UHFFFAOYSA-N 0 0 218.247 2.003 50 0 BEAARN Nc1cccc([C@@H]2NC(=O)c3ccccc3O2)c1 ZINC000096191921 188223504 /nfs/dbraw/zinc/22/35/04/188223504.db2.gz UYZVGBJHJAVAJK-CQSZACIVSA-N 0 0 240.262 2.090 50 0 BEAARN CCOc1ccc(/C=C/C2=NNC(=O)CC2)cc1 ZINC000001382973 353308343 /nfs/dbraw/zinc/30/83/43/353308343.db2.gz GOELFBPBOGNXBV-ZZXKWVIFSA-N 0 0 244.294 2.365 50 0 BEAARN Clc1ccc(-c2ccnc3ncnn32)cc1 ZINC000001389320 353340773 /nfs/dbraw/zinc/34/07/73/353340773.db2.gz DYJZXJFZHSVISG-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN Cc1ccc2ncccc2c1NC(N)=S ZINC000001394252 353366935 /nfs/dbraw/zinc/36/69/35/353366935.db2.gz OHWXJLDCVVZZIW-UHFFFAOYSA-N 0 0 217.297 2.199 50 0 BEAARN COC(=O)c1oc(-c2ccccc2)nc1C ZINC000005724573 353407750 /nfs/dbraw/zinc/40/77/50/353407750.db2.gz QFCRXAFDRRPINE-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN Fc1ccc(NCCc2nccs2)nc1 ZINC000063134518 180977318 /nfs/dbraw/zinc/97/73/18/180977318.db2.gz REBDQMYRAVSAJG-UHFFFAOYSA-N 0 0 223.276 2.332 50 0 BEAARN CC(=O)Nc1n[nH]c(C)c1-c1ccccc1 ZINC000032219929 353502064 /nfs/dbraw/zinc/50/20/64/353502064.db2.gz SUBCUVPGFVDABY-UHFFFAOYSA-N 0 0 215.256 2.344 50 0 BEAARN CC(C)CNC(=O)c1ccc(F)c(F)c1 ZINC000016648635 353555169 /nfs/dbraw/zinc/55/51/69/353555169.db2.gz OGPZEGWBIMALDE-UHFFFAOYSA-N 0 0 213.227 2.351 50 0 BEAARN CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000001393191 188454237 /nfs/dbraw/zinc/45/42/37/188454237.db2.gz ATKVNSUOTPRKKI-UHFFFAOYSA-N 0 0 204.273 2.245 50 0 BEAARN CC1(C)OC2(NC1=O)C1CC3CC(C1)CC2C3 ZINC000000497389 188454452 /nfs/dbraw/zinc/45/44/52/188454452.db2.gz CNSOJLYPYZKIOI-UHFFFAOYSA-N 0 0 235.327 2.064 50 0 BEAARN CC(=O)CC(=O)N[C@H](C)CCc1ccccc1 ZINC000001648943 188454938 /nfs/dbraw/zinc/45/49/38/188454938.db2.gz UVHFHDNHBPJGHU-LLVKDONJSA-N 0 0 233.311 2.103 50 0 BEAARN CCCC(=O)CCCCC(=O)OCC ZINC000002379063 188455681 /nfs/dbraw/zinc/45/56/81/188455681.db2.gz NXLGAXQMRZRNRB-UHFFFAOYSA-N 0 0 200.278 2.479 50 0 BEAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000002747231 188456355 /nfs/dbraw/zinc/45/63/55/188456355.db2.gz AQJZEOHDTJCPHT-LLVKDONJSA-N 0 0 239.702 2.135 50 0 BEAARN CC(=O)Nc1cccc(C(=O)NCC(C)C)c1 ZINC000009366404 188458621 /nfs/dbraw/zinc/45/86/21/188458621.db2.gz GFOXCTXQBKRXBF-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN CC(=O)c1cc(Br)ccc1N ZINC000026522352 188464386 /nfs/dbraw/zinc/46/43/86/188464386.db2.gz JCGVHKOIDFMQER-UHFFFAOYSA-N 0 0 214.062 2.234 50 0 BEAARN CC[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000000030722 188452305 /nfs/dbraw/zinc/45/23/05/188452305.db2.gz QQJLGMMQCBPJAO-CYBMUJFWSA-N 0 0 233.311 2.039 50 0 BEAARN Fc1cccc(Cl)c1CNc1nc[nH]n1 ZINC000005995939 180998681 /nfs/dbraw/zinc/99/86/81/180998681.db2.gz CKZWEDARGAZJHI-UHFFFAOYSA-N 0 0 226.642 2.209 50 0 BEAARN CC(C)CO[C@@H](C)C(=O)N(C)Cc1ccco1 ZINC000042380198 188476342 /nfs/dbraw/zinc/47/63/42/188476342.db2.gz WKFYMWUPRAGGPW-NSHDSACASA-N 0 0 239.315 2.299 50 0 BEAARN CC(C)(C)[S@](=O)Cc1cccc(N)c1 ZINC000042372883 188476653 /nfs/dbraw/zinc/47/66/53/188476653.db2.gz ULALEJRMTPYQIP-AWEZNQCLSA-N 0 0 211.330 2.316 50 0 BEAARN Fc1ccc2oc(Nc3c[nH]cn3)nc2c1 ZINC000225533261 180992533 /nfs/dbraw/zinc/99/25/33/180992533.db2.gz FMEVFVCJNJJCFN-UHFFFAOYSA-N 0 0 218.191 2.434 50 0 BEAARN CC(C)C[C@H](C)N(C)C(=O)C1CCOCC1 ZINC000058316483 188485682 /nfs/dbraw/zinc/48/56/82/188485682.db2.gz HPPCQMACITTYBX-NSHDSACASA-N 0 0 227.348 2.306 50 0 BEAARN O=c1[nH]c2ncccc2nc1-c1cccs1 ZINC000071289440 188488141 /nfs/dbraw/zinc/48/81/41/188488141.db2.gz KCOQPQICPXEDHC-UHFFFAOYSA-N 0 0 229.264 2.459 50 0 BEAARN O=C(CCOc1ccccc1)N1CCCC1 ZINC000046466495 353715764 /nfs/dbraw/zinc/71/57/64/353715764.db2.gz CMFUTEXWESZWJA-UHFFFAOYSA-N 0 0 219.284 2.078 50 0 BEAARN O=C(CC1CCCC1)NC[C@H](O)c1ccoc1 ZINC000085471620 188480989 /nfs/dbraw/zinc/48/09/89/188480989.db2.gz VIRINGMZVNXPPA-LBPRGKRZSA-N 0 0 237.299 2.010 50 0 BEAARN Fc1ccccc1I ZINC000000164528 181014018 /nfs/dbraw/zinc/01/40/18/181014018.db2.gz TYHUGKGZNOULKD-UHFFFAOYSA-N 0 0 222.000 2.430 50 0 BEAARN CC(C)N(C(=O)N1CCOCC1)C1CCCC1 ZINC000097052308 188501772 /nfs/dbraw/zinc/50/17/72/188501772.db2.gz KGPAFUGLTGDAKY-UHFFFAOYSA-N 0 0 240.347 2.092 50 0 BEAARN CNc1cc(Br)cc(F)c1N ZINC000080441156 188494051 /nfs/dbraw/zinc/49/40/51/188494051.db2.gz CMCBWNPULRTQAZ-UHFFFAOYSA-N 0 0 219.057 2.212 50 0 BEAARN CC(=O)O[C@H]1CCc2c1nccc2Cl ZINC000082049741 188494323 /nfs/dbraw/zinc/49/43/23/188494323.db2.gz MNKSKFGPLLEKNZ-VIFPVBQESA-N 0 0 211.648 2.285 50 0 BEAARN Fc1ccccc1OCCCCn1cncn1 ZINC000004196939 181014478 /nfs/dbraw/zinc/01/44/78/181014478.db2.gz BKSJIYWKRGBHEG-UHFFFAOYSA-N 0 0 235.262 2.276 50 0 BEAARN Fc1cccn2c(Br)cnc12 ZINC000026894741 181016276 /nfs/dbraw/zinc/01/62/76/181016276.db2.gz RNVWXBQACVWOPI-UHFFFAOYSA-N 0 0 215.025 2.236 50 0 BEAARN Cc1ccc(CN2CCOC[C@H]2C)cc1 ZINC000046774120 353830115 /nfs/dbraw/zinc/83/01/15/353830115.db2.gz UXOJAKGZFGFVPC-GFCCVEGCSA-N 0 0 205.301 2.216 50 0 BEAARN Fc1cncc(-c2nc(-c3ccncc3)no2)c1 ZINC000225470952 181019196 /nfs/dbraw/zinc/01/91/96/181019196.db2.gz RSKUYGHASZUCDZ-UHFFFAOYSA-N 0 0 242.213 2.333 50 0 BEAARN CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044675543 188507763 /nfs/dbraw/zinc/50/77/63/188507763.db2.gz INRKQRZKJXYBQQ-UHFFFAOYSA-N 0 0 217.190 2.342 50 0 BEAARN CCn1nccc1C(=O)Nc1ccc(F)cc1 ZINC000013699182 188525328 /nfs/dbraw/zinc/52/53/28/188525328.db2.gz RJLYCMWXQMSUOH-UHFFFAOYSA-N 0 0 233.246 2.294 50 0 BEAARN Cc1ncn(Cc2ccncc2F)c1C ZINC000334543344 353978846 /nfs/dbraw/zinc/97/88/46/353978846.db2.gz PGZSKHVAOBYGOG-UHFFFAOYSA-N 0 0 205.236 2.082 50 0 BEAARN O=C1CCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000381045 363293314 /nfs/dbraw/zinc/29/33/14/363293314.db2.gz GQCQERWJFWBERU-UHFFFAOYSA-N 0 0 243.184 2.359 50 0 BEAARN N#CN(C[C@H]1CCOC1)c1ccccc1F ZINC000336375472 181052886 /nfs/dbraw/zinc/05/28/86/181052886.db2.gz CQGCPIKJXWBYOP-SNVBAGLBSA-N 0 0 220.247 2.150 50 0 BEAARN CC(C)(NC(=O)[C@@H](O)c1ccccc1)C1CC1 ZINC000073970370 354256878 /nfs/dbraw/zinc/25/68/78/354256878.db2.gz CCAACLSQVPECAF-LBPRGKRZSA-N 0 0 233.311 2.025 50 0 BEAARN Cc1ccc(NC(=O)Cn2cccn2)c(C)c1 ZINC000032491769 354366266 /nfs/dbraw/zinc/36/62/66/354366266.db2.gz MXYSZALOBGNONN-UHFFFAOYSA-N 0 0 229.283 2.139 50 0 BEAARN Cc1ncc(NC(=O)[C@H]2CC2(F)F)s1 ZINC000334657622 354452742 /nfs/dbraw/zinc/45/27/42/354452742.db2.gz VPWNSKKBRCYEQT-RXMQYKEDSA-N 0 0 218.228 2.045 50 0 BEAARN Cc1ccc(C(=O)Nc2ccccn2)cn1 ZINC000032895876 354596464 /nfs/dbraw/zinc/59/64/64/354596464.db2.gz MYKUXZLRGWMWRO-UHFFFAOYSA-N 0 0 213.240 2.037 50 0 BEAARN Cc1occc1C(=O)N(C)[C@H](C)C1CC1 ZINC000032907070 354596582 /nfs/dbraw/zinc/59/65/82/354596582.db2.gz SCAGVBLZXXBJOT-MRVPVSSYSA-N 0 0 207.273 2.459 50 0 BEAARN C[C@@H](C(=O)NC1CC(F)(F)C1)C1CCC1 ZINC000335121846 354760320 /nfs/dbraw/zinc/76/03/20/354760320.db2.gz MRLBCQIGHAXGRD-SSDOTTSWSA-N 0 0 217.259 2.337 50 0 BEAARN CS[C@@H]1CC[C@H](N(C)CC(F)F)C1 ZINC000308294825 355313139 /nfs/dbraw/zinc/31/31/39/355313139.db2.gz HLOKHFJNNISLEQ-JGVFFNPUSA-N 0 0 209.305 2.467 50 0 BEAARN Cc1ccc(NC(N)=S)c(Cl)c1 ZINC000006486870 355365258 /nfs/dbraw/zinc/36/52/58/355365258.db2.gz GNNRBIUCWVOVQD-UHFFFAOYSA-N 0 0 200.694 2.304 50 0 BEAARN CCCCCc1c(C)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000071783402 168747060 /nfs/dbraw/zinc/74/70/60/168747060.db2.gz FLQYWWIDNAXKOG-UHFFFAOYSA-N 0 0 246.310 2.148 50 0 BEAARN Cc1ccncc1C(=O)N[C@H]1CC[C@H](F)C1 ZINC000335833066 355560765 /nfs/dbraw/zinc/56/07/65/355560765.db2.gz OIUWMLOWMKOFPM-UWVGGRQHSA-N 0 0 222.263 2.010 50 0 BEAARN CCCC[C@@H](C)C(=O)N1CCOCC[C@@H]1C ZINC000252498973 363452349 /nfs/dbraw/zinc/45/23/49/363452349.db2.gz RRZDFCGNBDERKA-NEPJUHHUSA-N 0 0 227.348 2.450 50 0 BEAARN N=C1NC(=O)/C(=C\c2cccc(Cl)c2)S1 ZINC000004953813 181206979 /nfs/dbraw/zinc/20/69/79/181206979.db2.gz HVMYCINPEJXQSU-VMPITWQZSA-N 0 0 238.699 2.479 50 0 BEAARN CCc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000001459106 355769540 /nfs/dbraw/zinc/76/95/40/355769540.db2.gz QNCLUJLCVSVDPZ-VIFPVBQESA-N 0 0 208.257 2.189 50 0 BEAARN CC(=O)Nc1cccc(Nc2cc(C)ncn2)c1 ZINC000011903106 355769563 /nfs/dbraw/zinc/76/95/63/355769563.db2.gz MVHSVSHSTQSJBD-UHFFFAOYSA-N 0 0 242.282 2.487 50 0 BEAARN NC(=O)C(Cl)(Cl)C(Cl)(Cl)Cl ZINC000004827798 181212770 /nfs/dbraw/zinc/21/27/70/181212770.db2.gz OPTDGLZMUCSSHH-UHFFFAOYSA-N 0 0 245.320 2.016 50 0 BEAARN Cc1cc(C)n(-c2nc(C)cc(=S)[nH]2)n1 ZINC000006059800 355794926 /nfs/dbraw/zinc/79/49/26/355794926.db2.gz BNHZOCIYLZBWQN-UHFFFAOYSA-N 0 0 220.301 2.250 50 0 BEAARN CC(C)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000001469223 355807629 /nfs/dbraw/zinc/80/76/29/355807629.db2.gz NRZHKGAJLYWUNN-UHFFFAOYSA-N 0 0 233.311 2.282 50 0 BEAARN CC(C)CN1C(=S)SC(C)(C)[C@@H]1NO ZINC000001509749 355924551 /nfs/dbraw/zinc/92/45/51/355924551.db2.gz YGVPGOVHHJSCRA-SSDOTTSWSA-N 0 0 234.390 2.060 50 0 BEAARN NC(=O)CNc1ccccc1Oc1ccccc1 ZINC000009218676 181237209 /nfs/dbraw/zinc/23/72/09/181237209.db2.gz YZDQVVCNNJDVBC-UHFFFAOYSA-N 0 0 242.278 2.376 50 0 BEAARN NC(=O)CSc1ccc(-c2ccncc2)cc1 ZINC000019635699 181240504 /nfs/dbraw/zinc/24/05/04/181240504.db2.gz YHFRHZVYJKJYLF-UHFFFAOYSA-N 0 0 244.319 2.326 50 0 BEAARN NC(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000000209562 181240595 /nfs/dbraw/zinc/24/05/95/181240595.db2.gz KUDPLUQTOMECQT-UHFFFAOYSA-N 0 0 242.687 2.059 50 0 BEAARN NC(=O)C[C@@H](Cc1ccccc1)c1ccco1 ZINC000000489823 181242101 /nfs/dbraw/zinc/24/21/01/181242101.db2.gz KXCPZNDCHCRVAZ-GFCCVEGCSA-N 0 0 229.279 2.481 50 0 biogenic BEAARN NC(=O)NC1c2ccccc2-c2ccccc21 ZINC000000436772 181256860 /nfs/dbraw/zinc/25/68/60/181256860.db2.gz MUKFZJQKCWQRJB-UHFFFAOYSA-N 0 0 224.263 2.425 50 0 BEAARN NC(=O)NC1(Cc2ccccc2)CCCC1 ZINC000097375930 181257335 /nfs/dbraw/zinc/25/73/35/181257335.db2.gz FQMGLXFRFQVTII-UHFFFAOYSA-N 0 0 218.300 2.210 50 0 BEAARN NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000096003120 181262683 /nfs/dbraw/zinc/26/26/83/181262683.db2.gz DGIIMYOHAATLJZ-UHFFFAOYSA-N 0 0 236.605 2.432 50 0 BEAARN NC(=O)SCC(=O)Nc1cccc(Cl)c1 ZINC000000441325 181263697 /nfs/dbraw/zinc/26/36/97/181263697.db2.gz IHUXDOWGVBEMAB-UHFFFAOYSA-N 0 0 244.703 2.090 50 0 aggregator BEAARN NC(=O)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000026157582 181264360 /nfs/dbraw/zinc/26/43/60/181264360.db2.gz PYVTTZQYAVUMNV-AWEZNQCLSA-N 0 0 240.306 2.003 50 0 BEAARN COC(=O)N1[C@@H]2CC3=C(CCCC3)C[C@@H]21 ZINC000045069446 356372665 /nfs/dbraw/zinc/37/26/65/356372665.db2.gz FAEGZOPVOHOKNH-QYJAPNMZSA-N 0 0 207.273 2.470 50 0 BEAARN CC(C)(C)N/C=C1\C(=O)Nc2ccccc21 ZINC000006159153 356453629 /nfs/dbraw/zinc/45/36/29/356453629.db2.gz IJLKOJGBIDYXFU-NTMALXAHSA-N 0 0 216.284 2.368 50 0 BEAARN NC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000000150431 181278873 /nfs/dbraw/zinc/27/88/73/181278873.db2.gz JSUQXHOMGSWZBI-GFCCVEGCSA-N 0 0 203.285 2.446 50 0 BEAARN O=C(NC1CCC(n2cccn2)CC1)C1CCC1 ZINC000618256719 356471633 /nfs/dbraw/zinc/47/16/33/356471633.db2.gz LLFZQPBPEPOOBQ-UHFFFAOYSA-N 0 0 247.342 2.283 50 0 BEAARN NC(=O)c1c(N)scc1-c1ccccc1 ZINC000002584881 181286561 /nfs/dbraw/zinc/28/65/61/181286561.db2.gz XYFVTAJLRZWIKJ-UHFFFAOYSA-N 0 0 218.281 2.096 50 0 BEAARN Cc1ccc(CNC(=O)NC2CC2)cc1F ZINC000012895505 363487606 /nfs/dbraw/zinc/48/76/06/363487606.db2.gz PLUGDQCAIXTBQR-UHFFFAOYSA-N 0 0 222.263 2.096 50 0 BEAARN O=C(C1=CCCCO1)N1CCC[C@@H]1C1CCC1 ZINC000089817910 538521585 /nfs/dbraw/zinc/52/15/85/538521585.db2.gz HMTQSHRETIPGQC-GFCCVEGCSA-N 0 0 235.327 2.472 50 0 BEAARN COC(=O)Cc1cc(=O)[nH]c2c(C)c(C)ccc12 ZINC000675081809 538522229 /nfs/dbraw/zinc/52/22/29/538522229.db2.gz MYLKQZFEEOETIC-UHFFFAOYSA-N 0 0 245.278 2.273 50 0 BEAARN COC(=O)Cc1cc(=O)[nH]c2c(F)cc(C)cc12 ZINC000675081748 538522758 /nfs/dbraw/zinc/52/27/58/538522758.db2.gz KMSOXVSSLIPXCJ-UHFFFAOYSA-N 0 0 249.241 2.103 50 0 BEAARN COC(=O)[C@H]1O[C@@]1(C)c1ccccc1Cl ZINC000085657573 538543584 /nfs/dbraw/zinc/54/35/84/538543584.db2.gz JOIFRFLAWONKLV-KOLCDFICSA-N 0 0 226.659 2.127 50 0 BEAARN Cc1cc(C)c2c(O)cc(=S)[nH]c2n1 ZINC000009130841 538547422 /nfs/dbraw/zinc/54/74/22/538547422.db2.gz ZSWZLBDCPITAEL-UHFFFAOYSA-N 0 0 206.270 2.241 50 0 BEAARN COc1cccc(C(=O)N2CCCCCCC2)n1 ZINC000084060057 538527813 /nfs/dbraw/zinc/52/78/13/538527813.db2.gz IWAFDOSEUXIREG-UHFFFAOYSA-N 0 0 248.326 2.497 50 0 BEAARN Cc1cnc(C(=O)N2CC[C@H]3CCCC[C@H]32)cn1 ZINC000089702226 538583297 /nfs/dbraw/zinc/58/32/97/538583297.db2.gz RAXNGXYFVSWNKJ-DGCLKSJQSA-N 0 0 245.326 2.190 50 0 BEAARN Cc1cnc(C(=O)N2CC[C@H]3CCCC[C@@H]32)cn1 ZINC000089702224 538583558 /nfs/dbraw/zinc/58/35/58/538583558.db2.gz RAXNGXYFVSWNKJ-YPMHNXCESA-N 0 0 245.326 2.190 50 0 BEAARN O=C(C1=CCCCO1)N1CCC[C@H]1C1CCC1 ZINC000089817912 538585110 /nfs/dbraw/zinc/58/51/10/538585110.db2.gz HMTQSHRETIPGQC-LBPRGKRZSA-N 0 0 235.327 2.472 50 0 BEAARN O=C(c1[nH]nc(C2CC2)c1Cl)N1CCCC1 ZINC000089819057 538585153 /nfs/dbraw/zinc/58/51/53/538585153.db2.gz YAWDSRIQXBKCOC-UHFFFAOYSA-N 0 0 239.706 2.177 50 0 BEAARN C[C@H]1CC[C@H](C(=O)N2CC(C)(C)C2(C)C)O1 ZINC000089922800 538586918 /nfs/dbraw/zinc/58/69/18/538586918.db2.gz FSHJBLIITCIKMH-VHSXEESVSA-N 0 0 225.332 2.201 50 0 BEAARN C[C@@H]1SCCN(C(N)=O)[C@H]1c1ccccc1 ZINC000095960286 538609334 /nfs/dbraw/zinc/60/93/34/538609334.db2.gz VQTPZQUOSPWKSB-GXSJLCMTSA-N 0 0 236.340 2.244 50 0 BEAARN Cc1nc(Cn2ccc(C3CC3)n2)oc1C ZINC000095438638 538605444 /nfs/dbraw/zinc/60/54/44/538605444.db2.gz VQGMPWJOFHSNNU-UHFFFAOYSA-N 0 0 217.272 2.414 50 0 BEAARN O=C(OCC[C@@H]1CCCO1)c1ccoc1 ZINC000075094497 356819678 /nfs/dbraw/zinc/81/96/78/356819678.db2.gz KWFPKRZRTFJJAJ-JTQLQIEISA-N 0 0 210.229 2.006 50 0 BEAARN NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000002527776 181289027 /nfs/dbraw/zinc/28/90/27/181289027.db2.gz IXEFCZMQUOHYBQ-UHFFFAOYSA-N 0 0 223.581 2.458 50 0 BEAARN CCc1nc(C(=O)N2CCCCCCC2)c[nH]1 ZINC000098018429 538717233 /nfs/dbraw/zinc/71/72/33/538717233.db2.gz DZLTYVUJMQMNKU-UHFFFAOYSA-N 0 0 235.331 2.378 50 0 BEAARN CCCCC(=O)NC[C@](C)(O)C1CCCC1 ZINC000075245825 356910997 /nfs/dbraw/zinc/91/09/97/356910997.db2.gz XJFQRNBXBQEFOB-ZDUSSCGKSA-N 0 0 227.348 2.234 50 0 BEAARN CC1(C)CNc2nnc(-c3cccc(O)c3)n2C1 ZINC000075252488 356914154 /nfs/dbraw/zinc/91/41/54/356914154.db2.gz YLCSZOAUYNRBRS-UHFFFAOYSA-N 0 0 244.298 2.102 50 0 BEAARN O=C1Cn2c3c(c4cccc(c42)N1)CCC3 ZINC000075260261 356926652 /nfs/dbraw/zinc/92/66/52/356926652.db2.gz AQVQRDPZMMGZJQ-UHFFFAOYSA-N 0 0 212.252 2.082 50 0 BEAARN O=C(c1ccccc1F)N1NNc2ccccc21 ZINC000075278893 356937902 /nfs/dbraw/zinc/93/79/02/356937902.db2.gz USMMIRHNQNKWDG-UHFFFAOYSA-N 0 0 243.241 2.318 50 0 BEAARN Cc1ccc(N2C(=O)NC(=O)C[C@H]2C)c(C)c1 ZINC000075279693 356938595 /nfs/dbraw/zinc/93/85/95/356938595.db2.gz OLJAUZXRVJYJAK-SNVBAGLBSA-N 0 0 232.283 2.138 50 0 BEAARN CC(=O)N1N=C(c2ccc(C)cc2)OC1(C)C ZINC000075280182 356938836 /nfs/dbraw/zinc/93/88/36/356938836.db2.gz KQOANHDLIQQGIU-UHFFFAOYSA-N 0 0 232.283 2.271 50 0 BEAARN CCOc1ccccc1C(=O)NC(C)C ZINC000001599173 356989737 /nfs/dbraw/zinc/98/97/37/356989737.db2.gz TZBLZLGJLHFAFH-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1F ZINC000012916135 538777962 /nfs/dbraw/zinc/77/79/62/538777962.db2.gz RQAABULGQRVVDE-KOLCDFICSA-N 0 0 221.275 2.406 50 0 BEAARN C[C@H](NC(=O)NC1CC1)c1ccccc1F ZINC000012925566 538778925 /nfs/dbraw/zinc/77/89/25/538778925.db2.gz SVTWKBDBWKRXBM-QMMMGPOBSA-N 0 0 222.263 2.348 50 0 BEAARN CCCC(=O)OCc1ccc2c(c1)OCO2 ZINC000001695463 357156434 /nfs/dbraw/zinc/15/64/34/357156434.db2.gz JGTACHFOYJUNQJ-UHFFFAOYSA-N 0 0 222.240 2.259 50 0 BEAARN NC(=O)c1cc(O)cc(-c2ccccc2)c1 ZINC000095495746 181291496 /nfs/dbraw/zinc/29/14/96/181291496.db2.gz BBYWDNPNUCGKEN-UHFFFAOYSA-N 0 0 213.236 2.158 50 0 BEAARN NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000012973383 181292058 /nfs/dbraw/zinc/29/20/58/181292058.db2.gz VZXAJUCWNRKHTL-UHFFFAOYSA-N 0 0 205.188 2.185 50 0 BEAARN CSc1ncccc1C(=O)Nc1ccncc1 ZINC000015951997 538878962 /nfs/dbraw/zinc/87/89/62/538878962.db2.gz RPKBEFRTMPJJFW-UHFFFAOYSA-N 0 0 245.307 2.451 50 0 BEAARN C[C@H](C(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000685951703 538895147 /nfs/dbraw/zinc/89/51/47/538895147.db2.gz YPBVHTYHRZPCTB-QMMMGPOBSA-N 0 0 213.321 2.264 50 0 BEAARN COCC1N=NC(=S)N1c1cc(C)cc(C)c1 ZINC000006399899 358009013 /nfs/dbraw/zinc/00/90/13/358009013.db2.gz BEDWPJPMVSURTR-UHFFFAOYSA-N 0 0 249.339 2.319 50 0 BEAARN Cn1cc(-c2cc3ccccn3c2C=O)cn1 ZINC000035655626 358012848 /nfs/dbraw/zinc/01/28/48/358012848.db2.gz ZHMMXNXHRTVOEG-UHFFFAOYSA-N 0 0 225.251 2.152 50 0 BEAARN COC(=O)Nc1ccc(C)cc1NC(=O)OC ZINC000000475938 358090227 /nfs/dbraw/zinc/09/02/27/358090227.db2.gz JLXTZXSQSXGVTK-UHFFFAOYSA-N 0 0 238.243 2.352 50 0 BEAARN COc1ccc(CC(=O)C2CC2)cc1OC ZINC000038125674 358117130 /nfs/dbraw/zinc/11/71/30/358117130.db2.gz JPLFOUVBPIWOAA-UHFFFAOYSA-N 0 0 220.268 2.225 50 0 BEAARN NC(=O)c1ccc(CNc2ccccc2)cc1 ZINC000020035866 181296148 /nfs/dbraw/zinc/29/61/48/181296148.db2.gz PSWNXSKLBMXSPE-UHFFFAOYSA-N 0 0 226.279 2.398 50 0 BEAARN Cc1cncc(C(=O)N[C@H]2CC[C@@H](F)C2)c1 ZINC000335911727 358223626 /nfs/dbraw/zinc/22/36/26/358223626.db2.gz VLAQJHAXOPZUDV-MNOVXSKESA-N 0 0 222.263 2.010 50 0 BEAARN CCN(CC)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000029507361 358446339 /nfs/dbraw/zinc/44/63/39/358446339.db2.gz BSURLOATGSTVSU-UHFFFAOYSA-N 0 0 248.326 2.324 50 0 BEAARN Cn1ccnc1SCc1cccnc1 ZINC000027632183 358440780 /nfs/dbraw/zinc/44/07/80/358440780.db2.gz QCVZVRSBFSTHHA-UHFFFAOYSA-N 0 0 205.286 2.107 50 0 BEAARN CSC1=N/C(=C/c2ccc(C)cc2)C(=O)N1 ZINC000006487012 359454574 /nfs/dbraw/zinc/45/45/74/359454574.db2.gz JRWSDJXMKPOFRX-JXMROGBWSA-N 0 0 232.308 2.185 50 0 BEAARN CCO[P@]1(=O)OC(C)(C)C[C@@]1(C)O ZINC000002007422 359691598 /nfs/dbraw/zinc/69/15/98/359691598.db2.gz GTQYAZQCUFLOCL-SDBXPKJASA-N 0 0 208.194 2.123 50 0 BEAARN CC(C)(C)OC(=O)N1CCOC[C@H]1C1CC1 ZINC000089781687 360038093 /nfs/dbraw/zinc/03/80/93/360038093.db2.gz WODPCOWZBSAGOO-JTQLQIEISA-N 0 0 227.304 2.032 50 0 BEAARN CCc1csc([C@@H]2CCCN(C(C)=O)C2)n1 ZINC000064554947 360272012 /nfs/dbraw/zinc/27/20/12/360272012.db2.gz UTZAYIJBINQWGM-SNVBAGLBSA-N 0 0 238.356 2.431 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@]12CC[C@H](O)C2 ZINC000306538449 360400945 /nfs/dbraw/zinc/40/09/45/360400945.db2.gz MKWIKFJAUQCTMU-GXFFZTMASA-N 0 0 241.331 2.301 50 0 BEAARN Clc1snnc1CN1CCCCC1 ZINC000005184988 360483298 /nfs/dbraw/zinc/48/32/98/360483298.db2.gz BKTRFKWDXVDIRJ-UHFFFAOYSA-N 0 0 217.725 2.177 50 0 BEAARN Cc1cc(N)n([C@@H](C)c2ccsc2)n1 ZINC000050345088 219824530 /nfs/dbraw/zinc/82/45/30/219824530.db2.gz HJHVTWWAJUSXFW-QMMMGPOBSA-N 0 0 207.302 2.445 50 0 BEAARN NC(=O)c1cccc(-c2cccc3cnccc32)n1 ZINC000215460067 181302249 /nfs/dbraw/zinc/30/22/49/181302249.db2.gz KSGYYMRKMACVAL-UHFFFAOYSA-N 0 0 249.273 2.396 50 0 BEAARN O=C(c1cc2ccccc2[nH]1)N1CCSCC1 ZINC000036163408 360688057 /nfs/dbraw/zinc/68/80/57/360688057.db2.gz FYYDPZKKUMROCF-UHFFFAOYSA-N 0 0 246.335 2.357 50 0 BEAARN NC(=O)c1cccc(NC(=O)c2ccsc2)c1 ZINC000009497437 181305060 /nfs/dbraw/zinc/30/50/60/181305060.db2.gz SRRGQUHYDNCFQO-UHFFFAOYSA-N 0 0 246.291 2.099 50 0 BEAARN NC(=O)c1cccc(CSc2ccncc2)c1 ZINC000089774464 181305112 /nfs/dbraw/zinc/30/51/12/181305112.db2.gz DKQDZYKJIAGVOT-UHFFFAOYSA-N 0 0 244.319 2.473 50 0 BEAARN NC(=O)c1ccccc1OCc1ccccc1 ZINC000001649090 181306381 /nfs/dbraw/zinc/30/63/81/181306381.db2.gz HHKNJUHXNDIVFN-UHFFFAOYSA-N 0 0 227.263 2.365 50 0 BEAARN NC(=O)c1cccnc1Nc1ccc(F)cc1 ZINC000005944085 181307592 /nfs/dbraw/zinc/30/75/92/181307592.db2.gz QRLWEZLIBROAQL-UHFFFAOYSA-N 0 0 231.230 2.063 50 0 BEAARN NC(=O)c1cnc(-c2ccccc2F)s1 ZINC000067778348 181308941 /nfs/dbraw/zinc/30/89/41/181308941.db2.gz OXIHPOBVESQIJR-UHFFFAOYSA-N 0 0 222.244 2.048 50 0 BEAARN NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000006511561 181319410 /nfs/dbraw/zinc/31/94/10/181319410.db2.gz WKRUQAYFMKZMPJ-UHFFFAOYSA-N 0 0 220.219 2.361 50 0 BEAARN NC(=S)Nc1cccc2c1CCCC2 ZINC000004013652 181319422 /nfs/dbraw/zinc/31/94/22/181319422.db2.gz SISDQWCAZUMWHN-UHFFFAOYSA-N 0 0 206.314 2.221 50 0 BEAARN NC(=S)c1ccc(-c2ccccn2)s1 ZINC000000158469 181320591 /nfs/dbraw/zinc/32/05/91/181320591.db2.gz VOYHCOULKKDLRP-UHFFFAOYSA-N 0 0 220.322 2.444 50 0 BEAARN NC(=S)c1nc(-c2ccccc2)cs1 ZINC000003181170 181321963 /nfs/dbraw/zinc/32/19/63/181321963.db2.gz AMSAGSXZGUYLEQ-UHFFFAOYSA-N 0 0 220.322 2.444 50 0 BEAARN O=C1NCCCC[C@@H]1Sc1ccc(O)cc1 ZINC000037995830 361068704 /nfs/dbraw/zinc/06/87/04/361068704.db2.gz RDDKVWATRCGXTO-NSHDSACASA-N 0 0 237.324 2.153 50 0 BEAARN CC[C@@H](C)C(=O)NCc1ccc(COC)cc1 ZINC000036394038 361079780 /nfs/dbraw/zinc/07/97/80/361079780.db2.gz YYDDPWLTIBEVTD-LLVKDONJSA-N 0 0 235.327 2.495 50 0 BEAARN O=C(CCc1cccnc1)Nc1nccs1 ZINC000036394847 361080767 /nfs/dbraw/zinc/08/07/67/361080767.db2.gz KAIHRALNAIVWBV-UHFFFAOYSA-N 0 0 233.296 2.109 50 0 BEAARN Cc1cnc(NC(=O)CCOCC(C)C)s1 ZINC000036395895 361081935 /nfs/dbraw/zinc/08/19/35/361081935.db2.gz SXYLQMHWLJFHOD-UHFFFAOYSA-N 0 0 242.344 2.453 50 0 BEAARN CN(C)C(=O)Cc1cccn1-c1ccc(F)cc1 ZINC000065170759 361157602 /nfs/dbraw/zinc/15/76/02/361157602.db2.gz SMBFQUPBLOJIMY-UHFFFAOYSA-N 0 0 246.285 2.247 50 0 BEAARN Cc1cc2sc(N)nc2c(-c2cncnc2)c1 ZINC000426359982 200981375 /nfs/dbraw/zinc/98/13/75/200981375.db2.gz RSCCMTIOJIRODT-UHFFFAOYSA-N 0 0 242.307 2.474 50 0 BEAARN NC(=O)c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC000426434843 200986215 /nfs/dbraw/zinc/98/62/15/200986215.db2.gz LMEYANFKIBLUHU-UHFFFAOYSA-N 0 0 247.685 2.083 50 0 BEAARN Cc1ccc(NC(=O)N(CCO)C(C)C)cc1 ZINC000036795632 361472606 /nfs/dbraw/zinc/47/26/06/361472606.db2.gz CWSQYEYSEILEKG-UHFFFAOYSA-N 0 0 236.315 2.230 50 0 BEAARN CC(C)OC(=O)O[C@@H](C)Sc1cnccn1 ZINC000170660258 363937475 /nfs/dbraw/zinc/93/74/75/363937475.db2.gz IQPAKKJONHKKJR-MRVPVSSYSA-N 0 0 242.300 2.476 50 0 BEAARN O=c1cc(C(F)F)c2ccc(O)cc2o1 ZINC000584883697 541306872 /nfs/dbraw/zinc/30/68/72/541306872.db2.gz AAVTWUTXGVPZRD-UHFFFAOYSA-N 0 0 212.151 2.436 50 0 BEAARN O=C(O[C@H]1CCCC1=O)c1ccc(F)cc1F ZINC000007778359 364265193 /nfs/dbraw/zinc/26/51/93/364265193.db2.gz LPWKJQGEAFOAGY-NSHDSACASA-N 0 0 240.205 2.243 50 0 BEAARN CC(C)(O)CSc1nc2ccccc2[nH]1 ZINC000037697204 364532303 /nfs/dbraw/zinc/53/23/03/364532303.db2.gz ZRJLDAOVGASBTR-UHFFFAOYSA-N 0 0 222.313 2.426 50 0 BEAARN O=c1[nH]c(C=Cc2ccccc2)nc2cnccc21 ZINC000151482788 192972622 /nfs/dbraw/zinc/97/26/22/192972622.db2.gz CJSSBKSHSDHLTL-VOTSOKGWSA-N 0 0 249.273 2.489 50 0 BEAARN CCOc1ccc2c(c1)OC[C@@H](C(C)=O)C2 ZINC000675063715 541465708 /nfs/dbraw/zinc/46/57/08/541465708.db2.gz LUVLSXHBNBKZNP-NSHDSACASA-N 0 0 220.268 2.225 50 0 BEAARN CC[C@H]1CCCCN1C(=O)n1ccnc1 ZINC000032891603 541501888 /nfs/dbraw/zinc/50/18/88/541501888.db2.gz BONOPNSJDHXUKY-JTQLQIEISA-N 0 0 207.277 2.116 50 0 BEAARN CCN(CC)C(=O)c1cn2c(cccc2C)n1 ZINC000032892708 541501942 /nfs/dbraw/zinc/50/19/42/541501942.db2.gz XBAFGDCECYDAEU-UHFFFAOYSA-N 0 0 231.299 2.125 50 0 BEAARN Cc1noc(-c2cccnc2NC(C)C)n1 ZINC000035476160 541505897 /nfs/dbraw/zinc/50/58/97/541505897.db2.gz VKUJYLOTZQTNNX-UHFFFAOYSA-N 0 0 218.260 2.260 50 0 BEAARN O=C(N[C@@H]1CCSC1)c1cccc(F)c1 ZINC000081053134 370847547 /nfs/dbraw/zinc/84/75/47/370847547.db2.gz XUKVWHVDLBOHKR-SNVBAGLBSA-N 0 0 225.288 2.061 50 0 BEAARN Cc1cc(=O)oc2n[nH]c(-c3ccccc3)c21 ZINC000018066690 368157949 /nfs/dbraw/zinc/15/79/49/368157949.db2.gz KSUVRHQIDZXBBY-UHFFFAOYSA-N 0 0 226.235 2.492 50 0 BEAARN COC(=O)CCc1ccc(C(F)(F)F)nc1 ZINC000019616354 368319577 /nfs/dbraw/zinc/31/95/77/368319577.db2.gz CIGAGKCAOUZZCH-UHFFFAOYSA-N 0 0 233.189 2.206 50 0 BEAARN Cc1c2c(c(C)c3ccccc13)C(=O)NC2=O ZINC000019878194 368370907 /nfs/dbraw/zinc/37/09/07/368370907.db2.gz KDYJMSTUESVRLA-UHFFFAOYSA-N 0 0 225.247 2.340 50 0 BEAARN N#Cc1cnn(-c2ccc(F)cc2Cl)c1N ZINC000114688798 368386980 /nfs/dbraw/zinc/38/69/80/368386980.db2.gz JCIVMNINUMETIZ-UHFFFAOYSA-N 0 0 236.637 2.119 50 0 BEAARN COc1cc(Br)cc(O)c1F ZINC000215838369 368401065 /nfs/dbraw/zinc/40/10/65/368401065.db2.gz QQVQZTMYLZONSY-UHFFFAOYSA-N 0 0 221.025 2.302 50 0 BEAARN Cc1ccc(N)cc1NC(=O)c1ccc(N)cc1 ZINC000000262150 368526112 /nfs/dbraw/zinc/52/61/12/368526112.db2.gz WYPQPRSRZBJKIC-UHFFFAOYSA-N 0 0 241.294 2.412 50 0 BEAARN COC(=O)NCCc1cccc(Cl)c1 ZINC000000474671 368557715 /nfs/dbraw/zinc/55/77/15/368557715.db2.gz UUYWCADMDYCGSA-UHFFFAOYSA-N 0 0 213.664 2.239 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000253369973 368938954 /nfs/dbraw/zinc/93/89/54/368938954.db2.gz KQRVPAGTJIGPEE-NZBQSGDWSA-N 0 0 233.286 2.454 50 0 BEAARN CC/C=C\COC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000253390317 368943412 /nfs/dbraw/zinc/94/34/12/368943412.db2.gz XIZCHDVRYIZLJD-KBIXYVOKSA-N 0 0 234.299 2.033 50 0 BEAARN Cc1nnc(CN(C)Cc2ccnc(C)c2)s1 ZINC000621322602 370250955 /nfs/dbraw/zinc/25/09/55/370250955.db2.gz ACFCWAODQCABLE-UHFFFAOYSA-N 0 0 248.355 2.182 50 0 BEAARN C[C@@H](c1cc(F)ccc1F)N(C)C(N)=O ZINC000077631299 370446164 /nfs/dbraw/zinc/44/61/64/370446164.db2.gz MYCJYFFGRGTRMU-LURJTMIESA-N 0 0 214.215 2.036 50 0 BEAARN C[C@H](c1cc(F)ccc1F)N(C)C(N)=O ZINC000077631301 370446562 /nfs/dbraw/zinc/44/65/62/370446562.db2.gz MYCJYFFGRGTRMU-ZCFIWIBFSA-N 0 0 214.215 2.036 50 0 BEAARN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCC(=O)N1 ZINC000123796807 371107119 /nfs/dbraw/zinc/10/71/19/371107119.db2.gz VOUCKLWINFKMHE-GFCCVEGCSA-N 0 0 243.228 2.315 50 0 BEAARN Cn1cccc1C(=O)OCc1ccsc1 ZINC000078948978 371158166 /nfs/dbraw/zinc/15/81/66/371158166.db2.gz WSSSDLSEDBJJRE-UHFFFAOYSA-N 0 0 221.281 2.444 50 0 BEAARN Cc1sc(=O)n(CCOC(C)(C)C)c1C ZINC000078904289 371150934 /nfs/dbraw/zinc/15/09/34/371150934.db2.gz UFIKNWZNNUEUMZ-UHFFFAOYSA-N 0 0 229.345 2.342 50 0 BEAARN Cn1c2ccccc2nc1NC(=O)C1CCC1 ZINC000027924079 371167717 /nfs/dbraw/zinc/16/77/17/371167717.db2.gz ATIAIBYIBFYGSD-UHFFFAOYSA-N 0 0 229.283 2.312 50 0 BEAARN NNc1ccc(Br)cc1Cl ZINC000002545432 181519471 /nfs/dbraw/zinc/51/94/71/181519471.db2.gz DBJQHFUPMMKBSU-UHFFFAOYSA-N 0 0 221.485 2.388 50 0 BEAARN O=C(Oc1ccc2c[nH]nc2c1)c1ccco1 ZINC000079064946 371179106 /nfs/dbraw/zinc/17/91/06/371179106.db2.gz DFXHOCWDEPAZHG-UHFFFAOYSA-N 0 0 228.207 2.375 50 0 BEAARN CCCCS[C@@H](C)C(=O)N[C@H](C)CCCO ZINC000079095201 371180859 /nfs/dbraw/zinc/18/08/59/371180859.db2.gz YWEXSDCGVKLIMP-MNOVXSKESA-N 0 0 247.404 2.185 50 0 BEAARN COC(=O)Cc1ccc(OC(C)C)cc1 ZINC000020134232 371234382 /nfs/dbraw/zinc/23/43/82/371234382.db2.gz IXIIOTCCONXDNO-UHFFFAOYSA-N 0 0 208.257 2.189 50 0 BEAARN COCC(=O)N[C@@H](C)Cc1cc2ccccc2o1 ZINC000390826048 371238248 /nfs/dbraw/zinc/23/82/48/371238248.db2.gz ALWZLKQVTDNSDA-JTQLQIEISA-N 0 0 247.294 2.126 50 0 BEAARN CCCCS(=O)(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000095469608 371291061 /nfs/dbraw/zinc/29/10/61/371291061.db2.gz XMBKAALJJLTTAQ-RYUDHWBXSA-N 0 0 245.388 2.381 50 0 BEAARN C[C@@H](CC(=O)Nc1ccccc1)n1cccn1 ZINC000020991044 371355657 /nfs/dbraw/zinc/35/56/57/371355657.db2.gz OWNRGKFEEKZUEA-NSHDSACASA-N 0 0 229.283 2.473 50 0 BEAARN Nc1cc(-c2ccc(Br)o2)ncn1 ZINC000044262438 181673218 /nfs/dbraw/zinc/67/32/18/181673218.db2.gz RBVQDZHVLDPUFG-UHFFFAOYSA-N 0 0 240.060 2.081 50 0 BEAARN CCN(Cc1cccs1)[C@H]1C[C@H](C)OC1=O ZINC000095978491 371369044 /nfs/dbraw/zinc/36/90/44/371369044.db2.gz SODIJYHNZQMAKB-ONGXEEELSA-N 0 0 239.340 2.274 50 0 BEAARN Nc1cc(C(F)(F)F)cnc1Br ZINC000047212305 181680233 /nfs/dbraw/zinc/68/02/33/181680233.db2.gz FJDWPMVYWMIGKO-UHFFFAOYSA-N 0 0 241.010 2.445 50 0 BEAARN Nc1cc(C2CC2)nn1-c1ccccc1F ZINC000012396768 181681652 /nfs/dbraw/zinc/68/16/52/181681652.db2.gz SWZIPGYJKCJYOZ-UHFFFAOYSA-N 0 0 217.247 2.471 50 0 BEAARN Nc1cc(Cl)ccc1N1CCCC1=O ZINC000021963254 181683882 /nfs/dbraw/zinc/68/38/82/181683882.db2.gz ZEGLUXHUOCWBLH-UHFFFAOYSA-N 0 0 210.664 2.049 50 0 BEAARN Nc1cc(F)c(F)c(Br)c1 ZINC000012359164 181685123 /nfs/dbraw/zinc/68/51/23/181685123.db2.gz GYPOUGZGHDSUKH-UHFFFAOYSA-N 0 0 208.005 2.310 50 0 BEAARN COc1cccc(OC)c1-c1ccc(=O)[nH]c1 ZINC000020862791 371340614 /nfs/dbraw/zinc/34/06/14/371340614.db2.gz YVIADYGKSXSRFA-UHFFFAOYSA-N 0 0 231.251 2.059 50 0 BEAARN Nc1n[nH]cc1-c1ccnc2ccccc21 ZINC000095836922 181664427 /nfs/dbraw/zinc/66/44/27/181664427.db2.gz CEQBFPXGFSEYRP-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN CCc1nc(C)c(-c2nc([C@@H]3CCOC3)no2)o1 ZINC000096137110 371420317 /nfs/dbraw/zinc/42/03/17/371420317.db2.gz GIHXFNIGWRHDPY-MRVPVSSYSA-N 0 0 249.270 2.099 50 0 BEAARN O=C(CCc1cccs1)Nc1nncs1 ZINC000021214415 371374981 /nfs/dbraw/zinc/37/49/81/371374981.db2.gz LHHBHCLCUPVHOG-UHFFFAOYSA-N 0 0 239.325 2.171 50 0 BEAARN Nc1ccc(CNc2nc(C3CC3)ns2)cn1 ZINC000170610797 181707289 /nfs/dbraw/zinc/70/72/89/181707289.db2.gz CEGNQPZHDYAVHT-UHFFFAOYSA-N 0 0 247.327 2.005 50 0 BEAARN Nc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000016527298 181740653 /nfs/dbraw/zinc/74/06/53/181740653.db2.gz RUCCIRQTLQFVOM-UHFFFAOYSA-N 0 0 240.306 2.241 50 0 BEAARN Nc1cccc(NC(=O)C2CCCC2)c1 ZINC000008703415 181745738 /nfs/dbraw/zinc/74/57/38/181745738.db2.gz AUAWVGGRDZZBHU-UHFFFAOYSA-N 0 0 204.273 2.398 50 0 BEAARN Nc1cccc(OCn2nnc3ccccc32)c1 ZINC000000406760 181746870 /nfs/dbraw/zinc/74/68/70/181746870.db2.gz ATURXGXJHMCRHD-UHFFFAOYSA-N 0 0 240.266 2.050 50 0 BEAARN Nc1ccccc1OC[C@H]1CCCCO1 ZINC000013483549 181757555 /nfs/dbraw/zinc/75/75/55/181757555.db2.gz AGQGPCQKCZTQJO-SNVBAGLBSA-N 0 0 207.273 2.217 50 0 BEAARN Nc1ccccc1OCCOc1ccccc1N ZINC000002170657 181757598 /nfs/dbraw/zinc/75/75/98/181757598.db2.gz PSDFQEVOCCOOET-UHFFFAOYSA-N 0 0 244.294 2.309 50 0 in-vitro BEAARN COCCCN(C)C(=O)N1CCCC[C@@H](C)C1 ZINC000225539041 371552805 /nfs/dbraw/zinc/55/28/05/371552805.db2.gz LXMKWMOUNLDYSJ-GFCCVEGCSA-N 0 0 242.363 2.197 50 0 BEAARN CC[C@@H](C)NC(=O)c1cc(C(C)C)on1 ZINC000002498016 371560903 /nfs/dbraw/zinc/56/09/03/371560903.db2.gz RATPFXMMXPWEFJ-MRVPVSSYSA-N 0 0 210.277 2.326 50 0 BEAARN CCCC[C@@H](C)C(=O)N1CC(C(C)(C)O)C1 ZINC000225736482 371573005 /nfs/dbraw/zinc/57/30/05/371573005.db2.gz WQVSPWGKOBIQSE-SNVBAGLBSA-N 0 0 227.348 2.042 50 0 BEAARN CCc1cc(NS(=O)(=O)C2CC2)ccc1F ZINC000350516588 371578432 /nfs/dbraw/zinc/57/84/32/371578432.db2.gz PZTHRPGBMRDIDD-UHFFFAOYSA-N 0 0 243.303 2.292 50 0 BEAARN Nc1nc2c(ccc(Br)c2F)o1 ZINC000228902849 181789956 /nfs/dbraw/zinc/78/99/56/181789956.db2.gz QRLWTQBTQWGVKG-UHFFFAOYSA-N 0 0 231.024 2.312 50 0 BEAARN Nc1noc2cc(C(F)(F)F)ccc12 ZINC000039075364 181815792 /nfs/dbraw/zinc/81/57/92/181815792.db2.gz YYCXXQOOYBPTDY-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN O=C1C[C@H](c2cccs2)Sc2nncn21 ZINC000003187085 371905269 /nfs/dbraw/zinc/90/52/69/371905269.db2.gz SFCFDLXNJHUBNZ-SSDOTTSWSA-N 0 0 237.309 2.217 50 0 BEAARN O=C(COC(=O)c1ccncc1)c1ccccc1 ZINC000003228153 371923828 /nfs/dbraw/zinc/92/38/28/371923828.db2.gz VLJKXPUQNREOQD-UHFFFAOYSA-N 0 0 241.246 2.121 50 0 BEAARN CC(C)(C)C(=O)COC(=O)/C=C/c1ccco1 ZINC000003237666 371925792 /nfs/dbraw/zinc/92/57/92/371925792.db2.gz UVSIGLCTDPGEKF-VOTSOKGWSA-N 0 0 236.267 2.451 50 0 BEAARN CCN(N)C(=S)Nc1cccc(C)c1C ZINC000003246041 371927614 /nfs/dbraw/zinc/92/76/14/371927614.db2.gz BVHIJWKEWIJSQQ-UHFFFAOYSA-N 0 0 223.345 2.196 50 0 BEAARN O=C(COC(=O)c1ccccc1)c1ccc[nH]1 ZINC000003337503 371960981 /nfs/dbraw/zinc/96/09/81/371960981.db2.gz VVDDSBJBGDSEJF-UHFFFAOYSA-N 0 0 229.235 2.054 50 0 BEAARN O=C(/C=C/c1ccccc1)NCc1cccnc1 ZINC000001794311 181840957 /nfs/dbraw/zinc/84/09/57/181840957.db2.gz VERQGAHAHUJWJK-CMDGGOBGSA-N 0 0 238.290 2.411 50 0 BEAARN O=C(C1CC1)N1CCC[C@@H]1c1ccncc1 ZINC000032902254 181861662 /nfs/dbraw/zinc/86/16/62/181861662.db2.gz ROHNVXNOPNKUBA-GFCCVEGCSA-N 0 0 216.284 2.155 50 0 BEAARN Cc1csc(CCNC(=O)CC(C)C)n1 ZINC000031848998 372118082 /nfs/dbraw/zinc/11/80/82/372118082.db2.gz NNCGXQNWCAMHBD-UHFFFAOYSA-N 0 0 226.345 2.156 50 0 BEAARN CCON=c1c2cccc3cccc(c1=O)c23 ZINC000606442404 372103359 /nfs/dbraw/zinc/10/33/59/372103359.db2.gz JLRDXMFPWBPCOL-UHFFFAOYSA-N 0 0 225.247 2.081 50 0 BEAARN CCCC(=O)NCCc1cn2cccc(C)c2n1 ZINC000004248458 372182900 /nfs/dbraw/zinc/18/29/00/372182900.db2.gz UGWXPLKMRKGHKK-UHFFFAOYSA-N 0 0 245.326 2.102 50 0 BEAARN Cc1cc(C(=O)Cc2ccccn2)c(O)cc1O ZINC000004158410 372152968 /nfs/dbraw/zinc/15/29/68/372152968.db2.gz CSEFYWAYNQAZSD-UHFFFAOYSA-N 0 0 243.262 2.227 50 0 BEAARN O=C(C1CCC1)N1CCc2ccc(O)cc2C1 ZINC000041065265 181867271 /nfs/dbraw/zinc/86/72/71/181867271.db2.gz BCKVIQDBNKUUPW-UHFFFAOYSA-N 0 0 231.295 2.077 50 0 BEAARN OCc1ccc(OCC2CC2)c(Cl)n1 ZINC000218593376 372131479 /nfs/dbraw/zinc/13/14/79/372131479.db2.gz MPTLWLFOSCOWBV-UHFFFAOYSA-N 0 0 213.664 2.016 50 0 BEAARN CCCCN1C(=O)c2ccc(F)cc2C1=O ZINC000002478848 168826582 /nfs/dbraw/zinc/82/65/82/168826582.db2.gz UVIDPQKULVZZNK-UHFFFAOYSA-N 0 0 221.231 2.222 50 0 BEAARN CC(C)(C)OC(=O)CN1C=CC(=CN=O)C=C1 ZINC000038198008 372417011 /nfs/dbraw/zinc/41/70/11/372417011.db2.gz BHOBYIRRWXOBAP-UHFFFAOYSA-N 0 0 236.271 2.321 50 0 BEAARN CCCCN1C(=S)SC(C)(C)[C@@H]1NO ZINC000004644854 168826908 /nfs/dbraw/zinc/82/69/08/168826908.db2.gz FINDCSVWRWNRCF-SSDOTTSWSA-N 0 0 234.390 2.204 50 0 BEAARN CCCCSc1nc2c(c(=O)[nH]1)CCC2 ZINC000008578712 372772297 /nfs/dbraw/zinc/77/22/97/372772297.db2.gz SDQFKDFGDPUANU-UHFFFAOYSA-N 0 0 224.329 2.151 50 0 BEAARN CC[C@@H](C)C(=O)N(CC)c1ccc(OC)nc1 ZINC000067655729 372840186 /nfs/dbraw/zinc/84/01/86/372840186.db2.gz ONTKRRQNQVBUAA-SNVBAGLBSA-N 0 0 236.315 2.489 50 0 BEAARN O=C(COc1ccc(F)cc1)Nc1ccncc1 ZINC000009379367 182000323 /nfs/dbraw/zinc/00/03/23/182000323.db2.gz OZKAIMFMLSSDOR-UHFFFAOYSA-N 0 0 246.241 2.238 50 0 BEAARN O=C(COc1cccc(F)c1)NC1CCCC1 ZINC000012905688 182001574 /nfs/dbraw/zinc/00/15/74/182001574.db2.gz ZXQYTNIUCKSPQD-UHFFFAOYSA-N 0 0 237.274 2.263 50 0 BEAARN O=C(COc1ccccc1)N1CCCCC1 ZINC000000078033 182001815 /nfs/dbraw/zinc/00/18/15/182001815.db2.gz IUPQNTVJUFOXAX-UHFFFAOYSA-N 0 0 219.284 2.078 50 0 BEAARN O=C(CSC(F)(F)F)NC1CCCC1 ZINC000048098842 182006532 /nfs/dbraw/zinc/00/65/32/182006532.db2.gz WCQCFOYOZRUTAW-UHFFFAOYSA-N 0 0 227.251 2.298 50 0 BEAARN O=C(COc1ccccc1F)NC1CCCC1 ZINC000006701297 182002428 /nfs/dbraw/zinc/00/24/28/182002428.db2.gz NKLHDKRPUOTUSB-UHFFFAOYSA-N 0 0 237.274 2.263 50 0 BEAARN O=C(COc1cccnc1)N1CCCCCCC1 ZINC000263920934 182003821 /nfs/dbraw/zinc/00/38/21/182003821.db2.gz PIQZVFBPBRKLLK-UHFFFAOYSA-N 0 0 248.326 2.253 50 0 BEAARN O=C(CSc1ccc(F)cc1)NC1CC1 ZINC000058080605 182009129 /nfs/dbraw/zinc/00/91/29/182009129.db2.gz LMSUYWQXZQKLGM-UHFFFAOYSA-N 0 0 225.288 2.196 50 0 BEAARN O=C(CSc1ccc(F)c(F)c1)N1CCC1 ZINC000069349144 182009365 /nfs/dbraw/zinc/00/93/65/182009365.db2.gz PINUTWYQGKLLFU-UHFFFAOYSA-N 0 0 243.278 2.289 50 0 BEAARN O=C(CSc1nc2ccccc2o1)NC1CC1 ZINC000000051856 182010235 /nfs/dbraw/zinc/01/02/35/182010235.db2.gz VFWFUBYKMOLWPH-UHFFFAOYSA-N 0 0 248.307 2.199 50 0 BEAARN O=C(CSc1ccccn1)NC1CCCC1 ZINC000003099350 182010422 /nfs/dbraw/zinc/01/04/22/182010422.db2.gz KYZUGNHKPCVGIY-UHFFFAOYSA-N 0 0 236.340 2.233 50 0 BEAARN O=C(C[C@H]1C=CCC1)N1CCC[C@H]1CF ZINC000294219333 182023059 /nfs/dbraw/zinc/02/30/59/182023059.db2.gz WCUCEBJTHDWDDX-QWRGUYRKSA-N 0 0 211.280 2.303 50 0 BEAARN O=C(C[C@H]1C=CCC1)Nc1cccnc1 ZINC000024332674 182024971 /nfs/dbraw/zinc/02/49/71/182024971.db2.gz UHLYJDKZGDKANU-JTQLQIEISA-N 0 0 202.257 2.376 50 0 BEAARN O=C(Cc1ccc(Cl)cc1)NC1CC1 ZINC000000473731 182033633 /nfs/dbraw/zinc/03/36/33/182033633.db2.gz AWJCAAXYXMFLEN-UHFFFAOYSA-N 0 0 209.676 2.161 50 0 BEAARN O=C(Cc1ccc(Cl)cc1)Nc1cn[nH]c1 ZINC000035237577 182035684 /nfs/dbraw/zinc/03/56/84/182035684.db2.gz ALXMPCIWEGZANE-UHFFFAOYSA-N 0 0 235.674 2.244 50 0 BEAARN O=C(Cc1ccc(F)cc1)NCCc1ccoc1 ZINC000096096823 182036089 /nfs/dbraw/zinc/03/60/89/182036089.db2.gz DLFIRKWNJMRXAC-UHFFFAOYSA-N 0 0 247.269 2.320 50 0 BEAARN O=C(Cc1ccccc1F)N1CCCCC1 ZINC000016603691 182045048 /nfs/dbraw/zinc/04/50/48/182045048.db2.gz QSIKSKBYXFDUIR-UHFFFAOYSA-N 0 0 221.275 2.381 50 0 BEAARN O=C(Cc1cccnc1)Nc1ncccc1Cl ZINC000097046929 182049162 /nfs/dbraw/zinc/04/91/62/182049162.db2.gz VFSMPRYUMHXDHK-UHFFFAOYSA-N 0 0 247.685 2.311 50 0 BEAARN O=C(Cc1cccs1)N1CCCCC1 ZINC000005677537 182051416 /nfs/dbraw/zinc/05/14/16/182051416.db2.gz OPYZHIGDNFCZOF-UHFFFAOYSA-N 0 0 209.314 2.303 50 0 BEAARN O=C(Cc1ccncc1)c1ccc(O)cc1 ZINC000043830536 182055013 /nfs/dbraw/zinc/05/50/13/182055013.db2.gz IGHCECFXVHADNM-UHFFFAOYSA-N 0 0 213.236 2.213 50 0 BEAARN O=C(Cc1cccs1)NCc1ccccn1 ZINC000005572580 182052808 /nfs/dbraw/zinc/05/28/08/182052808.db2.gz LPUDXRXZXOOEKB-UHFFFAOYSA-N 0 0 232.308 2.002 50 0 BEAARN Cn1c(CO)cnc1Sc1ccccc1 ZINC000039932993 373062858 /nfs/dbraw/zinc/06/28/58/373062858.db2.gz LBJAJLAUYHNKIR-UHFFFAOYSA-N 0 0 220.297 2.064 50 0 BEAARN CC[C@@H](Sc1ccccn1)C(=O)OC ZINC000040024279 373088989 /nfs/dbraw/zinc/08/89/89/373088989.db2.gz QWYJDNJPTOLXRC-MRVPVSSYSA-N 0 0 211.286 2.125 50 0 BEAARN CON(C)C(=O)c1sccc1-n1cccc1 ZINC000040047268 373094655 /nfs/dbraw/zinc/09/46/55/373094655.db2.gz RAUSMCVISCRZDA-UHFFFAOYSA-N 0 0 236.296 2.172 50 0 BEAARN Cc1ccc(C(=O)N(C)Cc2cnn(C)c2)s1 ZINC000040040480 373095428 /nfs/dbraw/zinc/09/54/28/373095428.db2.gz FZJIXCMZJSKCCR-UHFFFAOYSA-N 0 0 249.339 2.062 50 0 BEAARN C[C@H](Cc1ccco1)NC(=O)C(C)(C)C ZINC000040050123 373096291 /nfs/dbraw/zinc/09/62/91/373096291.db2.gz KFBYYTJFNPLLIB-SECBINFHSA-N 0 0 209.289 2.373 50 0 BEAARN O=C(c1ccccn1)N(Cc1ccco1)C1CC1 ZINC000040060341 373099582 /nfs/dbraw/zinc/09/95/82/373099582.db2.gz VZEKTOAZQYWVKL-UHFFFAOYSA-N 0 0 242.278 2.479 50 0 BEAARN O=C(Cn1ccnc1)Nc1cccc(Cl)c1 ZINC000010809310 182071395 /nfs/dbraw/zinc/07/13/95/182071395.db2.gz SMCWLOCXACKHIN-UHFFFAOYSA-N 0 0 235.674 2.175 50 0 BEAARN O=C(Cn1ccnc1)Nc1ccc(Cl)cc1 ZINC000010809330 182071160 /nfs/dbraw/zinc/07/11/60/182071160.db2.gz UKWDOOLMTJKKAJ-UHFFFAOYSA-N 0 0 235.674 2.175 50 0 BEAARN Cc1nc(CSCC(=O)NC(C)C)cs1 ZINC000009039983 373147954 /nfs/dbraw/zinc/14/79/54/373147954.db2.gz RMKDZMPTAAIKJV-UHFFFAOYSA-N 0 0 244.385 2.209 50 0 BEAARN O=C(NC1CC(F)(F)C1)C1CC2(CCC2)C1 ZINC000335519091 182093190 /nfs/dbraw/zinc/09/31/90/182093190.db2.gz VTSICGWHYXQKKO-UHFFFAOYSA-N 0 0 229.270 2.481 50 0 BEAARN O=C(NC1=NCCS1)[C@H]1C[C@@H]1c1ccccc1 ZINC000002737101 182093292 /nfs/dbraw/zinc/09/32/92/182093292.db2.gz KRMDOGUODZDKRY-MNOVXSKESA-N 0 0 246.335 2.009 50 0 BEAARN O=C(NC1CC(F)(F)C1)[C@H]1CC=CCC1 ZINC000277020095 182093587 /nfs/dbraw/zinc/09/35/87/182093587.db2.gz MUSOAXNBKVFSCP-QMMMGPOBSA-N 0 0 215.243 2.257 50 0 BEAARN O=C(NC1CC1)C1(c2ccccc2F)CC1 ZINC000062061919 182094250 /nfs/dbraw/zinc/09/42/50/182094250.db2.gz HNUWBBFBUBGFCF-UHFFFAOYSA-N 0 0 219.259 2.136 50 0 BEAARN O=C(NC1(c2ccc(F)cc2)CC1)C1CC1 ZINC000041571224 182090634 /nfs/dbraw/zinc/09/06/34/182090634.db2.gz VACWYWLKUGSICX-UHFFFAOYSA-N 0 0 219.259 2.341 50 0 BEAARN O=C(NC1(c2ccccc2)CC1)c1ccc[nH]1 ZINC000041570625 182091659 /nfs/dbraw/zinc/09/16/59/182091659.db2.gz YDBAHQJLQOMWSU-UHFFFAOYSA-N 0 0 226.279 2.434 50 0 BEAARN O=C(NC1CC1)c1cccc2ncccc21 ZINC000014300414 182100981 /nfs/dbraw/zinc/10/09/81/182100981.db2.gz ACACJOHNOJCCGR-UHFFFAOYSA-N 0 0 212.252 2.127 50 0 BEAARN O=C(c1cnccn1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000040473440 373292394 /nfs/dbraw/zinc/29/23/94/373292394.db2.gz IDIZFMNUEFVPKB-YPMHNXCESA-N 0 0 245.326 2.271 50 0 BEAARN COC(=O)c1occc1CN1CCCC[C@H]1C ZINC000040475804 373294011 /nfs/dbraw/zinc/29/40/11/373294011.db2.gz WYNCPUIXSWPQFA-SNVBAGLBSA-N 0 0 237.299 2.441 50 0 BEAARN O=C(CCc1cccnc1)Nc1cccnc1 ZINC000040465440 373280050 /nfs/dbraw/zinc/28/00/50/373280050.db2.gz ZUNHJTSGZHXARJ-UHFFFAOYSA-N 0 0 227.267 2.048 50 0 BEAARN O=C(NC1CC1)c1cccc(Br)c1 ZINC000000473526 182099965 /nfs/dbraw/zinc/09/99/65/182099965.db2.gz TZOROVSHSRTGHY-UHFFFAOYSA-N 0 0 240.100 2.341 50 0 BEAARN O=C(NC1CCCCCCC1)c1ccc(=O)[nH]c1 ZINC000001025724 182114011 /nfs/dbraw/zinc/11/40/11/182114011.db2.gz REVXRUKAQICOEX-UHFFFAOYSA-N 0 0 248.326 2.218 50 0 BEAARN O=C(NC1CCCC1)c1ccnc(Cl)c1 ZINC000019813391 182111977 /nfs/dbraw/zinc/11/19/77/182111977.db2.gz SNDKPEJQSKROBF-UHFFFAOYSA-N 0 0 224.691 2.407 50 0 BEAARN CCN(CC(C)C)C(=O)c1cc(C)no1 ZINC000040499067 373337573 /nfs/dbraw/zinc/33/75/73/373337573.db2.gz VIKXIHDALLTLOH-UHFFFAOYSA-N 0 0 210.277 2.101 50 0 BEAARN O=C(NC1CCCCCC1)C1CCOCC1 ZINC000032731233 182114754 /nfs/dbraw/zinc/11/47/54/182114754.db2.gz YMSRYINCYRNIGE-UHFFFAOYSA-N 0 0 225.332 2.252 50 0 BEAARN O=C(NC1CCCCC1)c1n[nH]c2c1CCCC2 ZINC000062064283 182114758 /nfs/dbraw/zinc/11/47/58/182114758.db2.gz VTOKQZRDRRUREW-UHFFFAOYSA-N 0 0 247.342 2.351 50 0 BEAARN O=C(NC1CCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012986340 182108733 /nfs/dbraw/zinc/10/87/33/182108733.db2.gz MZUUXSKTFSBGDT-FOSCPWQOSA-N 0 0 249.354 2.441 50 0 BEAARN O=C(NC1CCCC1)c1cc(-c2ccco2)n[nH]1 ZINC000012544653 182110068 /nfs/dbraw/zinc/11/00/68/182110068.db2.gz RJXCYDADOBNSPC-UHFFFAOYSA-N 0 0 245.282 2.342 50 0 BEAARN O=C(NCC(F)(F)F)c1ccc(F)cc1F ZINC000042236865 182122910 /nfs/dbraw/zinc/12/29/10/182122910.db2.gz IAAPKPQEHMAGAS-UHFFFAOYSA-N 0 0 239.143 2.257 50 0 BEAARN Cc1cnc(NC(=O)CCc2ccncc2)s1 ZINC000040538642 373460114 /nfs/dbraw/zinc/46/01/14/373460114.db2.gz RKUQHGQUOGUCLF-UHFFFAOYSA-N 0 0 247.323 2.418 50 0 BEAARN CC(C)C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000040534927 373460310 /nfs/dbraw/zinc/46/03/10/373460310.db2.gz YUMPTQFITLTHSH-RYUDHWBXSA-N 0 0 227.348 2.354 50 0 BEAARN Cc1cc(C(=O)NCc2ccc(C)s2)on1 ZINC000040541706 373462639 /nfs/dbraw/zinc/46/26/39/373462639.db2.gz NJXKGSJJSOYYFE-UHFFFAOYSA-N 0 0 236.296 2.283 50 0 BEAARN O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000021047674 182132819 /nfs/dbraw/zinc/13/28/19/182132819.db2.gz FGMRKVWUPHMIKE-ZDUSSCGKSA-N 0 0 245.322 2.013 50 0 BEAARN O=C(NCC(F)(F)F)c1cccc(F)c1 ZINC000042236875 182125285 /nfs/dbraw/zinc/12/52/85/182125285.db2.gz BLKDVWVJNCCUEH-UHFFFAOYSA-N 0 0 221.153 2.118 50 0 BEAARN CCCCNC(=O)Cc1ccc(OC)cc1 ZINC000005419710 168846963 /nfs/dbraw/zinc/84/69/63/168846963.db2.gz JPMSCVCIXXEVNN-UHFFFAOYSA-N 0 0 221.300 2.154 50 0 BEAARN O=C(NCCCc1ccccc1)C(F)(F)F ZINC000002741580 182175299 /nfs/dbraw/zinc/17/52/99/182175299.db2.gz FWQLKTZKHXGJHE-UHFFFAOYSA-N 0 0 231.217 2.298 50 0 BEAARN O=C(NCCCn1ccnc1)Nc1ccccc1 ZINC000004370312 182177118 /nfs/dbraw/zinc/17/71/18/182177118.db2.gz GFVIPQJBDLCTND-UHFFFAOYSA-N 0 0 244.298 2.095 50 0 BEAARN O=C(NCCO)Nc1ccc(Cl)c(Cl)c1 ZINC000001640250 182190173 /nfs/dbraw/zinc/19/01/73/182190173.db2.gz PJIXSUQUIZCQMO-UHFFFAOYSA-N 0 0 249.097 2.107 50 0 BEAARN O=C(NCCc1ccccn1)c1cccs1 ZINC000022507745 182206375 /nfs/dbraw/zinc/20/63/75/182206375.db2.gz QYISPNMWBZWYQJ-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN O=C(NCCSc1ccccc1)C1CC1 ZINC000070243842 182197300 /nfs/dbraw/zinc/19/73/00/182197300.db2.gz CBPUAEAPKWSDDA-UHFFFAOYSA-N 0 0 221.325 2.305 50 0 BEAARN O=C(NCCc1ccccn1)[C@@H]1CC=CCC1 ZINC000040476500 182206460 /nfs/dbraw/zinc/20/64/60/182206460.db2.gz IJXCDZRFZCLRKH-GFCCVEGCSA-N 0 0 230.311 2.097 50 0 BEAARN O=C(NCCOc1ccc(F)cc1)c1ccco1 ZINC000023142325 182198417 /nfs/dbraw/zinc/19/84/17/182198417.db2.gz WKZQOBOETQIGMG-UHFFFAOYSA-N 0 0 249.241 2.228 50 0 BEAARN O=C(NCC[C@H](O)c1ccoc1)[C@@H]1CC=CCC1 ZINC000090613063 182200373 /nfs/dbraw/zinc/20/03/73/182200373.db2.gz ZAQSDYXSFSRWBD-YPMHNXCESA-N 0 0 249.310 2.176 50 0 BEAARN O=C(NCCc1cccc(F)c1)c1ccccn1 ZINC000007122711 182202551 /nfs/dbraw/zinc/20/25/51/182202551.db2.gz NQGPSNXXBJXYPI-UHFFFAOYSA-N 0 0 244.269 2.193 50 0 BEAARN O=C(NCCc1ccoc1)NC1CCCCC1 ZINC000090607450 182209121 /nfs/dbraw/zinc/20/91/21/182209121.db2.gz VHSWUQSXVHRGRL-UHFFFAOYSA-N 0 0 236.315 2.454 50 0 BEAARN O=C(NCCc1ccncc1)c1cccs1 ZINC000000151097 182209524 /nfs/dbraw/zinc/20/95/24/182209524.db2.gz QFCCFXMBXQMKQQ-UHFFFAOYSA-N 0 0 232.308 2.116 50 0 BEAARN O=C(NC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000000185941 182221241 /nfs/dbraw/zinc/22/12/41/182221241.db2.gz JZUOCQXDQFRPAF-CQSZACIVSA-N 0 0 241.290 2.150 50 0 biogenic BEAARN CCCCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000041194516 374118344 /nfs/dbraw/zinc/11/83/44/374118344.db2.gz XIYDXOVBCWBWIY-NEPJUHHUSA-N 0 0 225.332 2.347 50 0 BEAARN CCOc1ccccc1[C@H](O)c1nccn1CC ZINC000009421179 374124581 /nfs/dbraw/zinc/12/45/81/374124581.db2.gz DYXWSNLHFCCLMV-ZDUSSCGKSA-N 0 0 246.310 2.383 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1ccc2cc[nH]c2c1 ZINC000032478317 182239738 /nfs/dbraw/zinc/23/97/38/182239738.db2.gz WCAFAPVWSSJYFY-GFCCVEGCSA-N 0 0 244.294 2.077 50 0 BEAARN CC(=O)N1C[C@@H](C)O[C@H](c2ccc(C)cc2)C1 ZINC000041422258 374139138 /nfs/dbraw/zinc/13/91/38/374139138.db2.gz UNSUUAYHBGLISC-RISCZKNCSA-N 0 0 233.311 2.303 50 0 BEAARN CC(C)CNC(=O)N1CCn2cccc2[C@@H]1C ZINC000009528117 374145250 /nfs/dbraw/zinc/14/52/50/374145250.db2.gz PLUVCIFDDFJGPO-NSHDSACASA-N 0 0 235.331 2.230 50 0 BEAARN O=C(NC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000000133323 182238906 /nfs/dbraw/zinc/23/89/06/182238906.db2.gz UEUFPGFWHHTRJD-LLVKDONJSA-N 0 0 239.702 2.249 50 0 BEAARN O=C(NCc1ccc[nH]1)C1CCCCC1 ZINC000041533613 182253320 /nfs/dbraw/zinc/25/33/20/182253320.db2.gz SBVPPACFCSTOKS-UHFFFAOYSA-N 0 0 206.289 2.211 50 0 BEAARN O=C(NCc1ccc(Cl)s1)NC1CC1 ZINC000045313468 182249824 /nfs/dbraw/zinc/24/98/24/182249824.db2.gz CQQHQFAGWACUAW-UHFFFAOYSA-N 0 0 230.720 2.363 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1cscn1 ZINC000041499251 182250524 /nfs/dbraw/zinc/25/05/24/182250524.db2.gz OORPGCFUAZJETN-UHFFFAOYSA-N 0 0 236.271 2.212 50 0 BEAARN O=C(NCc1ccc(F)cc1)c1ccoc1 ZINC000018185274 182250756 /nfs/dbraw/zinc/25/07/56/182250756.db2.gz MYBINMMFUMMQGO-UHFFFAOYSA-N 0 0 219.215 2.349 50 0 BEAARN O=C(NCc1ccccc1)[C@@H]1CC1(Cl)Cl ZINC000006337380 182256376 /nfs/dbraw/zinc/25/63/76/182256376.db2.gz WIGZYRPMGXHTDC-VIFPVBQESA-N 0 0 244.121 2.497 50 0 BEAARN Cc1ccc(N(CC(N)=O)Cc2ccco2)cc1 ZINC000070945733 374234226 /nfs/dbraw/zinc/23/42/26/374234226.db2.gz DTIVBEIWRSWNCM-UHFFFAOYSA-N 0 0 244.294 2.080 50 0 BEAARN O=C(NCc1ccccn1)c1ccc(F)cc1F ZINC000008289960 182259716 /nfs/dbraw/zinc/25/97/16/182259716.db2.gz CVTIAKJMIBPYLD-UHFFFAOYSA-N 0 0 248.232 2.290 50 0 BEAARN O=C(NCc1cccnc1)c1cccnc1Cl ZINC000005394891 182260384 /nfs/dbraw/zinc/26/03/84/182260384.db2.gz AJUXAMNFZJCGRU-UHFFFAOYSA-N 0 0 247.685 2.060 50 0 BEAARN Cc1cc(C(=O)NC2CC2)c(C)n1C1CC1 ZINC000009762639 374240448 /nfs/dbraw/zinc/24/04/48/374240448.db2.gz IWYIWRSQFHBHBS-UHFFFAOYSA-N 0 0 218.300 2.332 50 0 BEAARN CCCC[C@H](CC)CNC(=O)NOC ZINC000071802051 374293694 /nfs/dbraw/zinc/29/36/94/374293694.db2.gz KUYDNCMSIMVXAB-VIFPVBQESA-N 0 0 202.298 2.063 50 0 BEAARN CN(C)c1ccc(-c2cc(C3CC3)ncn2)cn1 ZINC000426566896 206053340 /nfs/dbraw/zinc/05/33/40/206053340.db2.gz NNHGYKPMYLMIFL-UHFFFAOYSA-N 0 0 240.310 2.482 50 0 BEAARN O=C(N[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000033469232 182286918 /nfs/dbraw/zinc/28/69/18/182286918.db2.gz NMNPQVUDXPNPRE-AWEZNQCLSA-N 0 0 241.290 2.150 50 0 BEAARN O=C(N[C@@H]1CC[C@H](CO)C1)OCc1ccccc1 ZINC000072190697 182309669 /nfs/dbraw/zinc/30/96/69/182309669.db2.gz FDKXYQLCKKQFKQ-QWHCGFSZSA-N 0 0 249.310 2.074 50 0 BEAARN CCCCNC(=O)c1cnc2ccccc2n1 ZINC000029513882 168864351 /nfs/dbraw/zinc/86/43/51/168864351.db2.gz QYXJJXRZSITNEP-UHFFFAOYSA-N 0 0 229.283 2.160 50 0 BEAARN O=C(N[C@H]1CCCc2occc21)c1ccc[nH]1 ZINC000170594779 182335019 /nfs/dbraw/zinc/33/50/19/182335019.db2.gz FMTRHEMXKGCJCP-JTQLQIEISA-N 0 0 230.267 2.415 50 0 BEAARN O=C(Nc1ccc(Cl)cc1)c1ccc(=O)[nH]n1 ZINC000000541684 182353436 /nfs/dbraw/zinc/35/34/36/182353436.db2.gz DPJLTTYNECBCSM-UHFFFAOYSA-N 0 0 249.657 2.088 50 0 BEAARN O=C(Nc1ccon1)Nc1ccc(F)cc1 ZINC000006742206 182355299 /nfs/dbraw/zinc/35/52/99/182355299.db2.gz SLJSXXBASIKZOL-UHFFFAOYSA-N 0 0 221.191 2.458 50 0 BEAARN O=C(Nc1ccc(F)cc1)C1CCOCC1 ZINC000025131523 182355408 /nfs/dbraw/zinc/35/54/08/182355408.db2.gz DIBFWLNNXGQTTG-UHFFFAOYSA-N 0 0 223.247 2.191 50 0 BEAARN O=C(Nc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000000483428 182356585 /nfs/dbraw/zinc/35/65/85/182356585.db2.gz WQLUHPVQWCBGFK-SNVBAGLBSA-N 0 0 227.210 2.082 50 0 BEAARN CCCCNC(=S)Nc1c(C)n[nH]c1C ZINC000060432512 168865612 /nfs/dbraw/zinc/86/56/12/168865612.db2.gz KZKJOQBPHHJWHI-UHFFFAOYSA-N 0 0 226.349 2.113 50 0 BEAARN O=C(Nc1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000028304953 182347027 /nfs/dbraw/zinc/34/70/27/182347027.db2.gz WCOPDGKBOGLQAS-UHFFFAOYSA-N 0 0 227.267 2.425 50 0 BEAARN CCCCNC(=S)Nc1cc(C)ccn1 ZINC000013227946 168865877 /nfs/dbraw/zinc/86/58/77/168865877.db2.gz SSEUGPZUZSNEBC-UHFFFAOYSA-N 0 0 223.345 2.477 50 0 BEAARN O=C(Nc1cc(F)cc(F)c1)c1cnccn1 ZINC000009114285 182349883 /nfs/dbraw/zinc/34/98/83/182349883.db2.gz CKGQWGOCHQJYTC-UHFFFAOYSA-N 0 0 235.193 2.007 50 0 BEAARN O=C(Nc1ccc(OCCO)cc1)C1=CCCC1 ZINC000095447854 182360634 /nfs/dbraw/zinc/36/06/34/182360634.db2.gz UFUQDAFOPJIUCX-UHFFFAOYSA-N 0 0 247.294 2.107 50 0 BEAARN O=C(Nc1ccc2c(c1)CCC2)N1CCOCC1 ZINC000027334309 182362645 /nfs/dbraw/zinc/36/26/45/182362645.db2.gz LZZYWWQXGOBOEZ-UHFFFAOYSA-N 0 0 246.310 2.039 50 0 BEAARN O=C(Nc1ccc2c(c1)CCC2)c1cnccn1 ZINC000000804487 182363733 /nfs/dbraw/zinc/36/37/33/182363733.db2.gz XGGQXNMQEPPXQY-UHFFFAOYSA-N 0 0 239.278 2.218 50 0 BEAARN O=C(Nc1ccc2c(c1)OCO2)NC1CCCC1 ZINC000006725637 182365698 /nfs/dbraw/zinc/36/56/98/182365698.db2.gz RISDMGGWOHNDNJ-UHFFFAOYSA-N 0 0 248.282 2.479 50 0 BEAARN O=C(Nc1ccc2nsnc2c1)C1CC1 ZINC000000039074 182367067 /nfs/dbraw/zinc/36/70/67/182367067.db2.gz MVTJZSASKJROLK-UHFFFAOYSA-N 0 0 219.269 2.040 50 0 BEAARN O=C(Nc1ccccc1)N[C@H]1CCCC[C@@H]1O ZINC000052003258 182376234 /nfs/dbraw/zinc/37/62/34/182376234.db2.gz AUDCZNMODKREEO-RYUDHWBXSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000052003254 182376243 /nfs/dbraw/zinc/37/62/43/182376243.db2.gz AUDCZNMODKREEO-NEPJUHHUSA-N 0 0 234.299 2.112 50 0 BEAARN O=C(Nc1ccccc1)[C@H](O)c1ccccc1 ZINC000000398038 182377404 /nfs/dbraw/zinc/37/74/04/182377404.db2.gz FJTANQWQWSXWTB-CYBMUJFWSA-N 0 0 227.263 2.359 50 0 BEAARN O=C(Nc1ccccc1CO)c1ccccc1 ZINC000001687167 182378503 /nfs/dbraw/zinc/37/85/03/182378503.db2.gz MVWSJVBIHYZISY-UHFFFAOYSA-N 0 0 227.263 2.431 50 0 BEAARN O=C(Nc1cccc(O)c1)N1CCCCC1 ZINC000000859608 182370295 /nfs/dbraw/zinc/37/02/95/182370295.db2.gz JJFZQVUNRALCDY-UHFFFAOYSA-N 0 0 220.272 2.410 50 0 BEAARN O=C(Nc1ccccc1F)C(F)(F)F ZINC000001757399 182379127 /nfs/dbraw/zinc/37/91/27/182379127.db2.gz JDFHWMMKPFLLKV-UHFFFAOYSA-N 0 0 207.126 2.327 50 0 BEAARN O=C(Nc1ccccc1O)c1cccnc1 ZINC000000753127 182381075 /nfs/dbraw/zinc/38/10/75/182381075.db2.gz VUUAIJROGNUMQQ-UHFFFAOYSA-N 0 0 214.224 2.040 50 0 BEAARN O=C(Nc1ccccn1)c1cccs1 ZINC000000224864 182383023 /nfs/dbraw/zinc/38/30/23/182383023.db2.gz GFDOUDIYCCVPDR-UHFFFAOYSA-N 0 0 204.254 2.395 50 0 BEAARN O=C(Nc1cccnc1)OCC(F)(F)F ZINC000007736522 182384076 /nfs/dbraw/zinc/38/40/76/182384076.db2.gz JENVVQWNHIPHCE-UHFFFAOYSA-N 0 0 220.150 2.192 50 0 BEAARN O=C(Nc1cc[nH]n1)OCc1ccccc1 ZINC000042413925 182384978 /nfs/dbraw/zinc/38/49/78/182384978.db2.gz MPMXOEDZCABCNK-UHFFFAOYSA-N 0 0 217.228 2.158 50 0 BEAARN O=C(Nc1ccncc1)c1cc(Cl)c[nH]1 ZINC000032726154 182386784 /nfs/dbraw/zinc/38/67/84/182386784.db2.gz XEUOPLFOCFIFIW-UHFFFAOYSA-N 0 0 221.647 2.315 50 0 BEAARN O=C(Nc1nc[nH]n1)c1cccc2ccccc21 ZINC000000208797 182398967 /nfs/dbraw/zinc/39/89/67/182398967.db2.gz NOLWNYPTTNXDGZ-UHFFFAOYSA-N 0 0 238.250 2.210 50 0 BEAARN O=C(Nc1ncc(Cl)s1)[C@H]1CCCOC1 ZINC000098016459 182399782 /nfs/dbraw/zinc/39/97/82/182399782.db2.gz BAEAUCIGGIJJNI-LURJTMIESA-N 0 0 246.719 2.162 50 0 BEAARN O=C(Nc1nccs1)c1ccccc1O ZINC000000315601 182401803 /nfs/dbraw/zinc/40/18/03/182401803.db2.gz WTKFNNVZPKSJBB-UHFFFAOYSA-N 0 0 220.253 2.101 50 0 BEAARN O=C([O-])c1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000004413487 182566561 /nfs/dbraw/zinc/56/65/61/182566561.db2.gz DWADGKIOACDCEK-UHFFFAOYSA-N 0 0 242.278 2.070 50 0 BEAARN CC(C)(C)NC(=O)/C=C\c1cccnc1 ZINC000098054443 166610495 /nfs/dbraw/zinc/61/04/95/166610495.db2.gz AQVNATJTIUQCDP-SREVYHEPSA-N 0 0 204.273 2.010 50 0 BEAARN O=C(c1ccc(F)cc1)n1cc(Cl)cn1 ZINC000000037184 182661655 /nfs/dbraw/zinc/66/16/55/182661655.db2.gz FTDJTWUEACFTRX-UHFFFAOYSA-N 0 0 224.622 2.364 50 0 BEAARN O=C(c1ncn(-c2ccccc2)n1)c1ccccc1 ZINC000005602264 182677845 /nfs/dbraw/zinc/67/78/45/182677845.db2.gz MYEARXDRWUCMCM-UHFFFAOYSA-N 0 0 249.273 2.498 50 0 BEAARN O=C1CCN(c2ccccc2Br)C1 ZINC000037240053 182743238 /nfs/dbraw/zinc/74/32/38/182743238.db2.gz OVVVMGRQTISQSU-UHFFFAOYSA-N 0 0 240.100 2.228 50 0 BEAARN O=C1Cn2c3c(c4cccc(c42)N1)CCCC3 ZINC000000403648 182789691 /nfs/dbraw/zinc/78/96/91/182789691.db2.gz VGXJTMCQWYQTOG-UHFFFAOYSA-N 0 0 226.279 2.472 50 0 BEAARN O=C1NC2(CCCCC2)N=C1c1ccccc1 ZINC000004076590 182796628 /nfs/dbraw/zinc/79/66/28/182796628.db2.gz XZKWZMSPSMVVCZ-UHFFFAOYSA-N 0 0 228.295 2.266 50 0 BEAARN O=C1c2ccccc2N[C@@H]2C=CC(Cl)=NN12 ZINC000045922682 182846313 /nfs/dbraw/zinc/84/63/13/182846313.db2.gz VNNJNNJOCCHPNQ-JTQLQIEISA-N 0 0 233.658 2.003 50 0 BEAARN O=C1OCC[C@@H]1Sc1ncccc1Cl ZINC000040493671 182831222 /nfs/dbraw/zinc/83/12/22/182831222.db2.gz ZYMKJRAJLHRKOA-ZETCQYMHSA-N 0 0 229.688 2.143 50 0 BEAARN O=Cc1c(F)c(O)ccc1Br ZINC000075926719 182858327 /nfs/dbraw/zinc/85/83/27/182858327.db2.gz JUIVOTYNMBEYFK-UHFFFAOYSA-N 0 0 219.009 2.106 50 0 BEAARN O=Cc1cc2c(cc1Br)OCCO2 ZINC000009781720 182863640 /nfs/dbraw/zinc/86/36/40/182863640.db2.gz GRPOMPOKJNVQKD-UHFFFAOYSA-N 0 0 243.056 2.033 50 0 BEAARN O=Cc1ccc(OCc2ccccn2)cc1 ZINC000000226821 182868571 /nfs/dbraw/zinc/86/85/71/182868571.db2.gz MKHNUKSZFMWQJL-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN O=S(=O)(NC1CCCCC1)c1ccccc1 ZINC000000393611 182894962 /nfs/dbraw/zinc/89/49/62/182894962.db2.gz YRJGYGPIEHIQPP-UHFFFAOYSA-N 0 0 239.340 2.298 50 0 BEAARN O=S(=O)(c1ccccc1)C(F)(F)Cl ZINC000071257000 182904785 /nfs/dbraw/zinc/90/47/85/182904785.db2.gz DZKIZVXCLNLUJF-UHFFFAOYSA-N 0 0 226.631 2.249 50 0 BEAARN O=S1(=O)C[C@@]23C=CC=C[C@@]2(C1)CCCCC3 ZINC000101036484 182914854 /nfs/dbraw/zinc/91/48/54/182914854.db2.gz IUOPYAZMCGLGBR-CHWSQXEVSA-N 0 0 238.352 2.478 50 0 BEAARN O=c1[nH]cc(Br)c2ccc(F)cc12 ZINC000096835775 182976370 /nfs/dbraw/zinc/97/63/70/182976370.db2.gz AEKGMZZJCXAEJY-UHFFFAOYSA-N 0 0 242.047 2.430 50 0 BEAARN O=c1[nH]ccn2nc(-c3ccccc3Cl)cc12 ZINC000070459044 182978297 /nfs/dbraw/zinc/97/82/97/182978297.db2.gz MNXSPWQHCPHZNA-UHFFFAOYSA-N 0 0 245.669 2.343 50 0 BEAARN O=c1ccc(F)cn1Cc1ccccc1 ZINC000071516305 183000302 /nfs/dbraw/zinc/00/03/02/183000302.db2.gz SLLYGDXMWKPUHX-UHFFFAOYSA-N 0 0 203.216 2.036 50 0 BEAARN O=c1onc(-c2ccccn2)n1[C@H]1C=CCCC1 ZINC000089884673 183013354 /nfs/dbraw/zinc/01/33/54/183013354.db2.gz JNXCDYVOWFUGOB-JTQLQIEISA-N 0 0 243.266 2.180 50 0 BEAARN O=c1ccocc1OCc1ccccc1 ZINC000014507779 183006227 /nfs/dbraw/zinc/00/62/27/183006227.db2.gz MKMZYQOQNQAGSX-UHFFFAOYSA-N 0 0 202.209 2.219 50 0 BEAARN OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000000133425 183031110 /nfs/dbraw/zinc/03/11/10/183031110.db2.gz MMAJXKGUZYDTHV-UHFFFAOYSA-N 0 0 239.318 2.453 50 0 in-vitro BEAARN OC1CCC(Nc2cccc(Cl)n2)CC1 ZINC000082460850 183028326 /nfs/dbraw/zinc/02/83/26/183028326.db2.gz HMTPHHCWRAYAOL-UHFFFAOYSA-N 0 0 226.707 2.450 50 0 BEAARN OC12C3CCC[C@@]14CCC[C@]2(CCC3)O4 ZINC000012341508 183024169 /nfs/dbraw/zinc/02/41/69/183024169.db2.gz HLKDPNIGJWAHCF-UNTZMWQOSA-N 0 0 208.301 2.393 50 0 BEAARN O=C1CS[C@@H](c2cccnc2)c2c[nH]nc2N1 ZINC000020720468 183026242 /nfs/dbraw/zinc/02/62/42/183026242.db2.gz QZDVMNAZZOUMRA-JTQLQIEISA-N 0 0 246.295 2.229 50 0 BEAARN OCCC12CC3CC(C1)CC(CCO)(C3)C2 ZINC000000188955 183044164 /nfs/dbraw/zinc/04/41/64/183044164.db2.gz VUROTIPIKUBXPR-UHFFFAOYSA-N 0 0 224.344 2.338 50 0 BEAARN OC1C[C@H]2CC[C@@H](C1)N2c1ccccc1 ZINC000012402924 183032543 /nfs/dbraw/zinc/03/25/43/183032543.db2.gz AZQPQDSVAJMYQD-FUNVUKJBSA-N 0 0 203.285 2.179 50 0 BEAARN OCCCOc1ccc(F)cc1Br ZINC000035110024 183061823 /nfs/dbraw/zinc/06/18/23/183061823.db2.gz IJVGSLNOJIQQOQ-UHFFFAOYSA-N 0 0 249.079 2.349 50 0 BEAARN OCCCc1cccc(Br)c1 ZINC000019729360 183064384 /nfs/dbraw/zinc/06/43/84/183064384.db2.gz GZLHIYBVSFUPND-UHFFFAOYSA-N 0 0 215.090 2.374 50 0 BEAARN OCCCc1cccc(NCc2csnn2)c1 ZINC000097081664 183064974 /nfs/dbraw/zinc/06/49/74/183064974.db2.gz QJCUTFAQMHZZDA-UHFFFAOYSA-N 0 0 249.339 2.075 50 0 BEAARN OCCNc1cc(/C=C/C2CCCCC2)ncn1 ZINC000097759380 183080519 /nfs/dbraw/zinc/08/05/19/183080519.db2.gz BKODPDBJOVZZMF-VOTSOKGWSA-N 0 0 247.342 2.474 50 0 BEAARN OCC[C@@H](NCC(F)(F)F)C1CCCCC1 ZINC000097138153 183089658 /nfs/dbraw/zinc/08/96/58/183089658.db2.gz SGZBAGGEEIKZOD-SNVBAGLBSA-N 0 0 239.281 2.470 50 0 BEAARN OCCc1ccc(F)c(C(F)(F)F)c1 ZINC000039713002 183100773 /nfs/dbraw/zinc/10/07/73/183100773.db2.gz WNWSWMPFXNNAQT-UHFFFAOYSA-N 0 0 208.154 2.379 50 0 BEAARN OCCn1ccc2cc(Br)ccc21 ZINC000039151117 183103023 /nfs/dbraw/zinc/10/30/23/183103023.db2.gz VQBGZOPEJRCONC-UHFFFAOYSA-N 0 0 240.100 2.396 50 0 BEAARN OC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000011892857 183123747 /nfs/dbraw/zinc/12/37/47/183123747.db2.gz RCAXNMIJWWVADB-SECBINFHSA-N 0 0 211.692 2.159 50 0 BEAARN CCCCc1nc2ccccc2c(=O)[nH]1 ZINC000032167128 169027492 /nfs/dbraw/zinc/02/74/92/169027492.db2.gz WBFIFMJPHUALRV-UHFFFAOYSA-N 0 0 202.257 2.266 50 0 BEAARN OC[C@H]1CCCCN1Cc1c(F)cccc1F ZINC000000214276 183148873 /nfs/dbraw/zinc/14/88/73/183148873.db2.gz OJRHHMJDIOJUSC-SNVBAGLBSA-N 0 0 241.281 2.312 50 0 BEAARN OC[C@H]1CCCN1c1nc2ccccc2s1 ZINC000042434679 183152406 /nfs/dbraw/zinc/15/24/06/183152406.db2.gz HGVGZMWESQDWDF-SECBINFHSA-N 0 0 234.324 2.257 50 0 BEAARN CCCCn1ccnc1[C@@H](O)C(F)(F)F ZINC000008132976 169037337 /nfs/dbraw/zinc/03/73/37/169037337.db2.gz XZIZSQIAXRVGKW-SSDOTTSWSA-N 0 0 222.210 2.279 50 0 BEAARN OC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000011892859 183153499 /nfs/dbraw/zinc/15/34/99/183153499.db2.gz RCAXNMIJWWVADB-VIFPVBQESA-N 0 0 211.692 2.159 50 0 BEAARN CCCCn1nc(C)nc1-c1c(C)nn(C)c1C ZINC000096150745 169038151 /nfs/dbraw/zinc/03/81/51/169038151.db2.gz WGTSJKVHLZVPOJ-UHFFFAOYSA-N 0 0 247.346 2.404 50 0 BEAARN OCc1cc(C(F)(F)F)c(Cl)cn1 ZINC000072190687 183160319 /nfs/dbraw/zinc/16/03/19/183160319.db2.gz ILIODYMBXCJRNA-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1cc(-c2ccc(F)cc2F)on1 ZINC000026421015 183160527 /nfs/dbraw/zinc/16/05/27/183160527.db2.gz ULPAADJUUMKRRS-UHFFFAOYSA-N 0 0 211.167 2.112 50 0 BEAARN OCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000095704717 183161170 /nfs/dbraw/zinc/16/11/70/183161170.db2.gz VRTWXMZDVDWKQB-UHFFFAOYSA-N 0 0 212.117 2.476 50 0 BEAARN OCc1cc(Cl)cc(Br)c1O ZINC000008727701 183161499 /nfs/dbraw/zinc/16/14/99/183161499.db2.gz RVRSNICKUNKOQP-UHFFFAOYSA-N 0 0 237.480 2.300 50 0 BEAARN OCc1cc(OC(F)(F)F)ccc1F ZINC000002527812 183161504 /nfs/dbraw/zinc/16/15/04/183161504.db2.gz BOTUFOKWIHWOKF-UHFFFAOYSA-N 0 0 210.126 2.217 50 0 BEAARN OCc1ccc(-c2ccc(CO)cc2)cc1 ZINC000001443094 183161519 /nfs/dbraw/zinc/16/15/19/183161519.db2.gz SFHGONLFTNHXDX-UHFFFAOYSA-N 0 0 214.264 2.338 50 0 BEAARN OCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000036895114 183161805 /nfs/dbraw/zinc/16/18/05/183161805.db2.gz NPCUCUOERFRAIH-NSHDSACASA-N 0 0 242.702 2.390 50 0 BEAARN OCc1ccc(-c2cccc(CO)c2)cc1 ZINC000001257612 183161809 /nfs/dbraw/zinc/16/18/09/183161809.db2.gz NBQDEQQEYVALCD-UHFFFAOYSA-N 0 0 214.264 2.338 50 0 BEAARN OCc1cc2cc(Br)ccc2[nH]1 ZINC000008730031 183161846 /nfs/dbraw/zinc/16/18/46/183161846.db2.gz ZIUDOZPLPNFTMR-UHFFFAOYSA-N 0 0 226.073 2.423 50 0 BEAARN OCc1cc(F)c(F)cc1Br ZINC000071790081 183162000 /nfs/dbraw/zinc/16/20/00/183162000.db2.gz PXNMZIPQCOVDEU-UHFFFAOYSA-N 0 0 223.016 2.220 50 0 BEAARN O[C@@H](CNc1ccccn1)c1ccccc1 ZINC000022910917 183182387 /nfs/dbraw/zinc/18/23/87/183182387.db2.gz ZEAJXCPGHPJVNP-LBPRGKRZSA-N 0 0 214.268 2.227 50 0 in-man BEAARN O[C@@H](Cc1cccnc1)C(Cl)(Cl)Cl ZINC000000494684 183183895 /nfs/dbraw/zinc/18/38/95/183183895.db2.gz FPQQQXMBADMPTF-ZETCQYMHSA-N 0 0 240.517 2.355 50 0 BEAARN OCc1ccc(OC(F)F)cc1OC(F)F ZINC000020281185 183166161 /nfs/dbraw/zinc/16/61/61/183166161.db2.gz NZHFPWSFMUZZQG-UHFFFAOYSA-N 0 0 240.152 2.382 50 0 BEAARN O[C@H](c1ccns1)c1ccc(F)cc1 ZINC000039326053 183184632 /nfs/dbraw/zinc/18/46/32/183184632.db2.gz RLKKAEOECPDYHV-JTQLQIEISA-N 0 0 209.245 2.364 50 0 BEAARN OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000004277401 183167544 /nfs/dbraw/zinc/16/75/44/183167544.db2.gz NZKXLHGCZWDXGE-UHFFFAOYSA-N 0 0 205.301 2.165 50 0 BEAARN OCc1cnc(Cl)c(C(F)(F)F)c1 ZINC000071244795 183169090 /nfs/dbraw/zinc/16/90/90/183169090.db2.gz YIHKAUGXYSEKCW-UHFFFAOYSA-N 0 0 211.570 2.246 50 0 BEAARN OCc1cncn1Cc1ccc(Cl)cc1 ZINC000043224381 183170954 /nfs/dbraw/zinc/17/09/54/183170954.db2.gz UKUATNPCCUQCCL-UHFFFAOYSA-N 0 0 222.675 2.077 50 0 BEAARN ON1C(c2ccccc2)N(O)[C@H]2CCCC[C@@H]21 ZINC000004752076 183171701 /nfs/dbraw/zinc/17/17/01/183171701.db2.gz GLCYWTAXMAFMTK-RYUDHWBXSA-N 0 0 234.299 2.392 50 0 BEAARN OCn1nc(-c2ccc(Cl)cc2)oc1=S ZINC000000384320 183171796 /nfs/dbraw/zinc/17/17/96/183171796.db2.gz UURMKCQZSJPBPN-UHFFFAOYSA-N 0 0 242.687 2.476 50 0 BEAARN O[C@@H]1CCCc2c(Br)cncc21 ZINC000095835438 183199183 /nfs/dbraw/zinc/19/91/83/183199183.db2.gz WAUCFCDXBSONNH-SECBINFHSA-N 0 0 228.089 2.214 50 0 BEAARN O[C@H](c1nccn1CCCF)c1ccccc1 ZINC000154850103 183185670 /nfs/dbraw/zinc/18/56/70/183185670.db2.gz ULOZCMPMDGSZSO-LBPRGKRZSA-N 0 0 234.274 2.324 50 0 BEAARN O[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000025369391 183192857 /nfs/dbraw/zinc/19/28/57/183192857.db2.gz XGDWWUXZYYFYIX-SECBINFHSA-N 0 0 234.324 2.257 50 0 BEAARN O[C@H](CNc1ncccn1)c1ccc(Cl)cc1 ZINC000040496337 183226548 /nfs/dbraw/zinc/22/65/48/183226548.db2.gz HIFUQMQZLDHTMA-LLVKDONJSA-N 0 0 249.701 2.276 50 0 BEAARN O[C@H](CSCC1CCC1)C(F)(F)F ZINC000191133702 183227085 /nfs/dbraw/zinc/22/70/85/183227085.db2.gz HAQHFKVIJVTQIX-SSDOTTSWSA-N 0 0 214.252 2.443 50 0 BEAARN O[C@H](CSCc1nccs1)C(F)(F)F ZINC000170608259 183227252 /nfs/dbraw/zinc/22/72/52/183227252.db2.gz KUUJTHCEUAPSOQ-RXMQYKEDSA-N 0 0 243.275 2.300 50 0 BEAARN O[C@@H]1c2ccccc2-c2ccccc2[C@H]1O ZINC000000334021 183214346 /nfs/dbraw/zinc/21/43/46/183214346.db2.gz MFXNBQWUTDDOKE-ZIAGYGMSSA-N 0 0 212.248 2.434 50 0 in-vitro BEAARN O[C@H]1CCc2cc(Br)ccc2C1 ZINC000070154918 183242212 /nfs/dbraw/zinc/24/22/12/183242212.db2.gz GFAONWSTEKWMAV-JTQLQIEISA-N 0 0 227.101 2.299 50 0 BEAARN O[C@H]1CCc2ccc(Br)cc21 ZINC000003850983 183242308 /nfs/dbraw/zinc/24/23/08/183242308.db2.gz DXVPKKRFBPLRRN-VIFPVBQESA-N 0 0 213.074 2.429 50 0 in-vitro BEAARN O=c1c(Br)n[nH]c2ccccc12 ZINC000075772379 183253112 /nfs/dbraw/zinc/25/31/12/183253112.db2.gz TZRVSTXNTMEAGB-UHFFFAOYSA-N 0 0 225.045 2.098 50 0 BEAARN CCCN(CC(F)F)C(=O)N[C@H]1C[C@@H]1C ZINC000071799471 169107172 /nfs/dbraw/zinc/10/71/72/169107172.db2.gz JFYPROAWMPWVIG-YUMQZZPRSA-N 0 0 220.263 2.082 50 0 BEAARN O[C@H]1CCC[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000195575399 183237074 /nfs/dbraw/zinc/23/70/74/183237074.db2.gz BWPFKUINQLEOGW-IUCAKERBSA-N 0 0 244.241 2.008 50 0 BEAARN Oc1ccc(-c2cncnc2)c2cccnc12 ZINC000065506062 183264781 /nfs/dbraw/zinc/26/47/81/183264781.db2.gz VNZWAQWJGNPZAJ-UHFFFAOYSA-N 0 0 223.235 2.397 50 0 BEAARN Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000034956103 183265697 /nfs/dbraw/zinc/26/56/97/183265697.db2.gz LHBMJPDGQWFLNK-JTQLQIEISA-N 0 0 232.239 2.294 50 0 BEAARN Oc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000017156847 183266379 /nfs/dbraw/zinc/26/63/79/183266379.db2.gz DHTGEEMLNWMWLC-UHFFFAOYSA-N 0 0 230.145 2.461 50 0 BEAARN Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000034956105 183266571 /nfs/dbraw/zinc/26/65/71/183266571.db2.gz LHBMJPDGQWFLNK-SNVBAGLBSA-N 0 0 232.239 2.294 50 0 BEAARN Oc1ccc(F)c(O[C@H]2CCCCO2)c1 ZINC000261494398 183273589 /nfs/dbraw/zinc/27/35/89/183273589.db2.gz WMRPPDMBJGMUNB-NSHDSACASA-N 0 0 212.220 2.437 50 0 BEAARN CCCN(CCC)C(=O)Cc1cccc(N)c1 ZINC000020186031 169140784 /nfs/dbraw/zinc/14/07/84/169140784.db2.gz KPFPGZIJTIEMLT-UHFFFAOYSA-N 0 0 234.343 2.460 50 0 BEAARN O=c1c2c([nH]c3c4nsnc4ccc13)CCC2 ZINC000071773227 183255604 /nfs/dbraw/zinc/25/56/04/183255604.db2.gz AFRZDBUHPZEJPC-UHFFFAOYSA-N 0 0 243.291 2.434 50 0 BEAARN Oc1cc(F)cc(CN2CCSCC2)c1 ZINC000274535801 183259459 /nfs/dbraw/zinc/25/94/59/183259459.db2.gz FHEXWXCGYLSTIA-UHFFFAOYSA-N 0 0 227.304 2.080 50 0 BEAARN CCCN(CCC)C(=O)c1ccnc(N(C)C)c1 ZINC000040535467 169145668 /nfs/dbraw/zinc/14/56/68/169145668.db2.gz DQUSOLHQTQJYND-UHFFFAOYSA-N 0 0 249.358 2.410 50 0 BEAARN Oc1ccc(-c2cccc3ccnn32)nc1 ZINC000072122222 183264020 /nfs/dbraw/zinc/26/40/20/183264020.db2.gz LEBCZUJRZSVGEW-UHFFFAOYSA-N 0 0 211.224 2.102 50 0 BEAARN CCCN1c2ccccc2C2(OCCCO2)C1=O ZINC000016576792 169183478 /nfs/dbraw/zinc/18/34/78/169183478.db2.gz DRDQVVMLKCJRED-UHFFFAOYSA-N 0 0 247.294 2.033 50 0 BEAARN S=C1N=NCN1Cc1ccc(Cl)cc1 ZINC000016970953 183316661 /nfs/dbraw/zinc/31/66/61/183316661.db2.gz BGBBLYLQGHACDP-UHFFFAOYSA-N 0 0 225.704 2.269 50 0 BEAARN CCCN1C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C1=O ZINC000012408892 169184597 /nfs/dbraw/zinc/18/45/97/169184597.db2.gz RBSLXVLDXKEYPI-GHMZBOCLSA-N 0 0 221.300 2.128 50 0 BEAARN c1c(CN2CCSCC2)noc1C1CC1 ZINC000064556222 183321102 /nfs/dbraw/zinc/32/11/02/183321102.db2.gz FJRMOOHWBMXQIO-UHFFFAOYSA-N 0 0 224.329 2.101 50 0 BEAARN c1cc(-c2nc3c(s2)CCCC3)n[nH]1 ZINC000067740724 183331752 /nfs/dbraw/zinc/33/17/52/183331752.db2.gz NBCHSHLMEIDCCY-UHFFFAOYSA-N 0 0 205.286 2.412 50 0 BEAARN c1cc(-c2nnc3sc(C4CC4)nn32)ccn1 ZINC000032093712 183332262 /nfs/dbraw/zinc/33/22/62/183332262.db2.gz IGCBXVBPJGFGBH-UHFFFAOYSA-N 0 0 243.295 2.125 50 0 BEAARN O=C1N=NC(C=Cc2ccc(F)cc2)O1 ZINC000033475705 183309008 /nfs/dbraw/zinc/30/90/08/183309008.db2.gz RBFMGYABONJBID-UTCJRWHESA-N 0 0 206.176 2.085 50 0 BEAARN S=C(NC1CCCCC1)N1CCCC1 ZINC000000302576 183310986 /nfs/dbraw/zinc/31/09/86/183310986.db2.gz FDXJZLFRULSTDC-UHFFFAOYSA-N 0 0 212.362 2.289 50 0 BEAARN S=C(NCc1ccco1)N1CCCCC1 ZINC000000072882 183311076 /nfs/dbraw/zinc/31/10/76/183311076.db2.gz GFGGCCAOYXNGOZ-UHFFFAOYSA-N 0 0 224.329 2.140 50 0 BEAARN S=C(NCC1CCCCC1)NC1CC1 ZINC000057758390 183311497 /nfs/dbraw/zinc/31/14/97/183311497.db2.gz CEAGQFCUPGLAPK-UHFFFAOYSA-N 0 0 212.362 2.193 50 0 BEAARN S=C([C@@H]1COc2ccccc2O1)N1CCCC1 ZINC000000536618 183312546 /nfs/dbraw/zinc/31/25/46/183312546.db2.gz WBWKEVIKBCODCW-LBPRGKRZSA-N 0 0 249.335 2.250 50 0 BEAARN CCCNC(=O)CSCc1csc(C)n1 ZINC000009039978 169231361 /nfs/dbraw/zinc/23/13/61/169231361.db2.gz PFZQJFZGRFMLRA-UHFFFAOYSA-N 0 0 244.385 2.211 50 0 BEAARN CCCNC(=O)CSc1ccc(C)cn1 ZINC000071855568 169232250 /nfs/dbraw/zinc/23/22/50/169232250.db2.gz NEJYAFLGWDFSTQ-UHFFFAOYSA-N 0 0 224.329 2.008 50 0 BEAARN CCCN1CN(CCC)CN(CCC)C1 ZINC000019325260 169210395 /nfs/dbraw/zinc/21/03/95/169210395.db2.gz DPHBVWJGMBYPMK-UHFFFAOYSA-N 0 0 213.369 2.009 50 0 BEAARN CCCN1CCn2c3ccccc3nc2C1 ZINC000019855371 169210508 /nfs/dbraw/zinc/21/05/08/169210508.db2.gz JUCFKWJRCRSJBM-UHFFFAOYSA-N 0 0 215.300 2.262 50 0 BEAARN CCCNC(=O)C(C)(C)c1ccccc1 ZINC000058298615 169213431 /nfs/dbraw/zinc/21/34/31/169213431.db2.gz UMDPDASJRHVOKK-UHFFFAOYSA-N 0 0 205.301 2.490 50 0 BEAARN CCCNC(=O)C(F)(F)Oc1ccc(F)cc1 ZINC000003117021 169213466 /nfs/dbraw/zinc/21/34/66/169213466.db2.gz IIBWJTGYLXOFFH-UHFFFAOYSA-N 0 0 247.216 2.324 50 0 BEAARN c1cc(-c2nnc(C3CC3)o2)cc2c1OCO2 ZINC000064556989 183366933 /nfs/dbraw/zinc/36/69/33/183366933.db2.gz VKXHDEDDCFODIM-UHFFFAOYSA-N 0 0 230.223 2.343 50 0 BEAARN CCCNC(=O)N(C)Cc1ccccc1 ZINC000004037748 169234533 /nfs/dbraw/zinc/23/45/33/169234533.db2.gz IITDCCPHOJECSZ-UHFFFAOYSA-N 0 0 206.289 2.238 50 0 BEAARN CCCNC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000068556334 169238842 /nfs/dbraw/zinc/23/88/42/169238842.db2.gz BANRENMIBKWENG-VIFPVBQESA-N 0 0 222.288 2.162 50 0 BEAARN CCCNC(=O)Nc1ccc2snnc2c1 ZINC000002499601 169240108 /nfs/dbraw/zinc/24/01/08/169240108.db2.gz HVJKNIYNPAUECE-UHFFFAOYSA-N 0 0 236.300 2.223 50 0 BEAARN c1nnc2ccc(NC3CCCCCC3)nn12 ZINC000285195749 183376760 /nfs/dbraw/zinc/37/67/60/183376760.db2.gz VLFWEFWQUXHZPZ-UHFFFAOYSA-N 0 0 231.303 2.259 50 0 BEAARN c1cc(SCC2CCCCC2)nn2nnnc12 ZINC000058544674 183378220 /nfs/dbraw/zinc/37/82/20/183378220.db2.gz CKJOHWMSMYTEQF-UHFFFAOYSA-N 0 0 249.343 2.192 50 0 BEAARN CCCNC(=O)[C@@H](C)Oc1ccccc1C ZINC000006138688 169242013 /nfs/dbraw/zinc/24/20/13/169242013.db2.gz PZCDEXGJUPQZDK-LLVKDONJSA-N 0 0 221.300 2.289 50 0 BEAARN c1nc2n(c1-c1ccccc1)CCOC2 ZINC000001509216 183380838 /nfs/dbraw/zinc/38/08/38/183380838.db2.gz PXIYZYDSRFBZEB-UHFFFAOYSA-N 0 0 200.241 2.080 50 0 BEAARN c1ccc(-c2nc(-c3cnccn3)no2)cc1 ZINC000044548997 183382452 /nfs/dbraw/zinc/38/24/52/183382452.db2.gz KHGKLZHPSITFSZ-UHFFFAOYSA-N 0 0 224.223 2.194 50 0 BEAARN CCCNC(=O)[C@H](C)Sc1nc(C)c(C)o1 ZINC000058760708 169247793 /nfs/dbraw/zinc/24/77/93/169247793.db2.gz HBHAUOODULNNAI-VIFPVBQESA-N 0 0 242.344 2.298 50 0 BEAARN CCCNC(=O)c1cc(CC(C)C)on1 ZINC000002498091 169250429 /nfs/dbraw/zinc/25/04/29/169250429.db2.gz REDCKDZZDQDBSI-UHFFFAOYSA-N 0 0 210.277 2.013 50 0 BEAARN CCCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000012977710 169250790 /nfs/dbraw/zinc/25/07/90/169250790.db2.gz NVDCMFOTOCZGNS-UHFFFAOYSA-N 0 0 220.247 2.447 50 0 BEAARN CCCNC(=O)c1cc2c(s1)CCC2 ZINC000032720089 169250951 /nfs/dbraw/zinc/25/09/51/169250951.db2.gz LEBKCDKEYFGKAD-UHFFFAOYSA-N 0 0 209.314 2.377 50 0 BEAARN CCCNC(=O)c1ccc(OC)c(C)c1 ZINC000013945941 169251452 /nfs/dbraw/zinc/25/14/52/169251452.db2.gz QDDMHIZURMYIRV-UHFFFAOYSA-N 0 0 207.273 2.143 50 0 BEAARN CCCNS(=O)(=O)c1ccccc1Cl ZINC000007376508 169273107 /nfs/dbraw/zinc/27/31/07/169273107.db2.gz QRABNUVCCKFRFC-UHFFFAOYSA-N 0 0 233.720 2.028 50 0 BEAARN CCCOC(=O)c1cnc2[nH]c(C)ccc-2c1=O ZINC000035227518 169301388 /nfs/dbraw/zinc/30/13/88/169301388.db2.gz TXWBTEUEADLYRC-UHFFFAOYSA-N 0 0 246.266 2.211 50 0 BEAARN CCCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1 ZINC000008700577 169301728 /nfs/dbraw/zinc/30/17/28/169301728.db2.gz HATVSCMLERZKPT-UHFFFAOYSA-N 0 0 245.278 2.403 50 0 BEAARN CCCOC(=O)c1ccc2c(c1)OCCO2 ZINC000035101654 169301778 /nfs/dbraw/zinc/30/17/78/169301778.db2.gz RMSSGOZWLWXWOS-UHFFFAOYSA-N 0 0 222.240 2.025 50 0 BEAARN CCCOCC(=O)Nc1c(C)cccc1O ZINC000097233772 169308122 /nfs/dbraw/zinc/30/81/22/169308122.db2.gz CATYWULPKZFRIO-UHFFFAOYSA-N 0 0 223.272 2.066 50 0 BEAARN CCCO[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000067110436 169310700 /nfs/dbraw/zinc/31/07/00/169310700.db2.gz BQVHELDIJUZQHE-CYBMUJFWSA-N 0 0 248.326 2.113 50 0 BEAARN CCCO[C@@H]1CCCN(c2nnc(CC)o2)C1 ZINC000091625763 169312035 /nfs/dbraw/zinc/31/20/35/169312035.db2.gz RKRCTLDGGPXRLJ-SNVBAGLBSA-N 0 0 239.319 2.027 50 0 BEAARN CCCOc1cc(=O)[nH]c2ccccc21 ZINC000138695720 169313620 /nfs/dbraw/zinc/31/36/20/169313620.db2.gz RSNXFUXYYAFNNQ-UHFFFAOYSA-N 0 0 203.241 2.317 50 0 BEAARN CCCNc1nc(Cl)nc(NCCC)n1 ZINC000002032780 169295990 /nfs/dbraw/zinc/29/59/90/169295990.db2.gz WKFQDZJPQYALOP-UHFFFAOYSA-N 0 0 229.715 2.169 50 0 BEAARN CCCNc1nnc(S[C@@H]2CCOC2)s1 ZINC000170605557 169296709 /nfs/dbraw/zinc/29/67/09/169296709.db2.gz WFPKJYJKXRHAMO-SSDOTTSWSA-N 0 0 245.373 2.241 50 0 BEAARN CCCNc1nnc(-c2cccnc2)s1 ZINC000004992739 169296961 /nfs/dbraw/zinc/29/69/61/169296961.db2.gz FSNBPNRQMRYMOD-UHFFFAOYSA-N 0 0 220.301 2.422 50 0 BEAARN CCCOc1ccc(CC(=O)OC)cc1 ZINC000020134229 169317747 /nfs/dbraw/zinc/31/77/47/169317747.db2.gz WZYOFVICEBAUSK-UHFFFAOYSA-N 0 0 208.257 2.191 50 0 BEAARN CCCOc1ccc([C@@H](N)C(=O)OCC)cc1 ZINC000022204395 169321531 /nfs/dbraw/zinc/32/15/31/169321531.db2.gz COUCRUSVTJUKCQ-GFCCVEGCSA-N 0 0 237.299 2.038 50 0 BEAARN CCCOc1ccccc1[C@@H](N)C(=O)OCC ZINC000022204478 169327757 /nfs/dbraw/zinc/32/77/57/169327757.db2.gz GMLKYGMJVDFHKI-GFCCVEGCSA-N 0 0 237.299 2.038 50 0 BEAARN CCCOc1ncc(Br)cn1 ZINC000065337459 169328237 /nfs/dbraw/zinc/32/82/37/169328237.db2.gz XRSHLCWIQIJJDH-UHFFFAOYSA-N 0 0 217.066 2.028 50 0 BEAARN CCCOc1cnc(Br)cn1 ZINC000035635792 169328321 /nfs/dbraw/zinc/32/83/21/169328321.db2.gz VKBDVEWBKUCZJC-UHFFFAOYSA-N 0 0 217.066 2.028 50 0 BEAARN CCCSC1=NN2CCCC(=O)N=C2S1 ZINC000003581454 169335191 /nfs/dbraw/zinc/33/51/91/169335191.db2.gz QRTPYPJPQDJSDL-UHFFFAOYSA-N 0 0 243.357 2.126 50 0 BEAARN CCCSCC(=O)NCC1(COC)CCC1 ZINC000337148610 169336774 /nfs/dbraw/zinc/33/67/74/169336774.db2.gz HHJXDUPBVCAVKA-UHFFFAOYSA-N 0 0 245.388 2.063 50 0 BEAARN CCC[C@@H](C)C(=O)NCc1ccnc(N(C)C)c1 ZINC000040087649 169350899 /nfs/dbraw/zinc/35/08/99/169350899.db2.gz KGSYEIQALLPANR-LLVKDONJSA-N 0 0 249.358 2.200 50 0 BEAARN c1cn(Cc2csc(C3CCCC3)n2)nn1 ZINC000128081654 183472492 /nfs/dbraw/zinc/47/24/92/183472492.db2.gz FUJMDRLSIDFHLB-UHFFFAOYSA-N 0 0 234.328 2.441 50 0 BEAARN CCC[C@@H](C)C(=O)Nc1ccccc1C(N)=O ZINC000000455871 169353334 /nfs/dbraw/zinc/35/33/34/169353334.db2.gz VBMMCDSRAOAMDS-SECBINFHSA-N 0 0 234.299 2.160 50 0 BEAARN CCC[C@H](C)NS(=O)(=O)Cc1ccccc1 ZINC000000030368 169493870 /nfs/dbraw/zinc/49/38/70/169493870.db2.gz CHJFBHIECXPTTH-NSHDSACASA-N 0 0 241.356 2.295 50 0 BEAARN CC(C)(C)OC(=O)NCc1ccccn1 ZINC000025724152 166663453 /nfs/dbraw/zinc/66/34/53/166663453.db2.gz RKVWMMAKYQABGS-UHFFFAOYSA-N 0 0 208.261 2.106 50 0 BEAARN CCCc1nnc(NC(=O)c2ccccn2)s1 ZINC000000115413 169598198 /nfs/dbraw/zinc/59/81/98/169598198.db2.gz YLIXOWXKFVUKRS-UHFFFAOYSA-N 0 0 248.311 2.138 50 0 BEAARN CCCc1nnc(NC(=O)c2cccnc2)s1 ZINC000006783543 169598272 /nfs/dbraw/zinc/59/82/72/169598272.db2.gz GHIXIJNAUIAIHJ-UHFFFAOYSA-N 0 0 248.311 2.138 50 0 BEAARN CCCn1c(C)nnc1CSc1cnccn1 ZINC000095978038 169612095 /nfs/dbraw/zinc/61/20/95/169612095.db2.gz LPSWEIWLLDKFGL-UHFFFAOYSA-N 0 0 249.343 2.079 50 0 BEAARN CCCN1C(=S)N=NC1c1cccnc1 ZINC000019089734 169614463 /nfs/dbraw/zinc/61/44/63/169614463.db2.gz CZLLKDKCZOQTIG-UHFFFAOYSA-N 0 0 220.301 2.039 50 0 BEAARN Nc1nnc(Cc2c[nH]c3ccccc23)s1 ZINC000000032424 383819053 /nfs/dbraw/zinc/81/90/53/383819053.db2.gz SCTCFEMYJYGVJN-UHFFFAOYSA-N 0 0 230.296 2.192 50 0 BEAARN O=c1oc2ccccc2n1CN1CCCCC1 ZINC000000051418 383819170 /nfs/dbraw/zinc/81/91/70/383819170.db2.gz FVZDNEBUKYUORU-UHFFFAOYSA-N 0 0 232.283 2.038 50 0 BEAARN COC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000000071518 383821987 /nfs/dbraw/zinc/82/19/87/383821987.db2.gz WZDDLQPHCCROKD-UHFFFAOYSA-N 0 0 216.240 2.033 50 0 BEAARN COC(=O)c1c(N)sc2c1CC[C@@H](C)C2 ZINC000000084180 383824320 /nfs/dbraw/zinc/82/43/20/383824320.db2.gz YHYBWJHQHFHSSW-ZCFIWIBFSA-N 0 0 225.313 2.242 50 0 BEAARN Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000084168 383824359 /nfs/dbraw/zinc/82/43/59/383824359.db2.gz BFEQYHQYYNNVEL-UHFFFAOYSA-N 0 0 225.704 2.365 50 0 BEAARN CC(C)(C)n1ncc(Cl)c(Cl)c1=O ZINC000000163304 383838902 /nfs/dbraw/zinc/83/89/02/383838902.db2.gz ANFVZRTXGLHTNI-UHFFFAOYSA-N 0 0 221.087 2.305 50 0 BEAARN CC(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000000175322 383841122 /nfs/dbraw/zinc/84/11/22/383841122.db2.gz NQCPIMCGQMGDCK-UHFFFAOYSA-N 0 0 249.295 2.213 50 0 BEAARN Cc1ccc(OCc2nnc(N)s2)cc1 ZINC000000193398 383841296 /nfs/dbraw/zinc/84/12/96/383841296.db2.gz CTCPPJXVAHAECP-UHFFFAOYSA-N 0 0 221.285 2.008 50 0 BEAARN CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000193161 383842824 /nfs/dbraw/zinc/84/28/24/383842824.db2.gz YFZVZDSHBIUMES-UHFFFAOYSA-N 0 0 244.250 2.490 50 0 BEAARN Cc1cc(C)c2c(c1)O[C@@](O)(C(F)F)CC2=O ZINC000000236262 383845362 /nfs/dbraw/zinc/84/53/62/383845362.db2.gz KTGDBOSVPWIRTE-GFCCVEGCSA-N 0 0 242.221 2.222 50 0 BEAARN CC1(C)C[C@](C)(O)[P@@](=O)(c2ccccc2)O1 ZINC000000231781 383845529 /nfs/dbraw/zinc/84/55/29/383845529.db2.gz IVLUAGYBDRGAPC-MLGOLLRUSA-N 0 0 240.239 2.497 50 0 BEAARN CC=CC=C1C(C)CC(=O)[C@@H]1C(=O)OC ZINC000087492938 383847728 /nfs/dbraw/zinc/84/77/28/383847728.db2.gz APVWSKRSXLWLOP-SGUJLRQBSA-N 0 0 208.257 2.031 50 0 BEAARN COC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000000266341 383848909 /nfs/dbraw/zinc/84/89/09/383848909.db2.gz DQKLNXNTMSKHBC-UHFFFAOYSA-N 0 0 217.224 2.437 50 0 BEAARN Cc1nnc2n1NCC=C(c1ccccc1)S2 ZINC000035287313 383849256 /nfs/dbraw/zinc/84/92/56/383849256.db2.gz OABJTMSUMOKIKD-UHFFFAOYSA-N 0 0 244.323 2.277 50 0 BEAARN Cc1nnc(Sc2ccc(C=O)o2)s1 ZINC000000272613 383850408 /nfs/dbraw/zinc/85/04/08/383850408.db2.gz ZOVRWRXITRWCJT-UHFFFAOYSA-N 0 0 226.282 2.403 50 0 BEAARN CCOc1cc(Br)cc(C=O)c1O ZINC000000291214 383851583 /nfs/dbraw/zinc/85/15/83/383851583.db2.gz VXBLUCOQXWXUBJ-UHFFFAOYSA-N 0 0 245.072 2.366 50 0 BEAARN CCc1cccc(CC)c1NS(C)(=O)=O ZINC000000311046 383852786 /nfs/dbraw/zinc/85/27/86/383852786.db2.gz YGXCHPNPFQAQKG-UHFFFAOYSA-N 0 0 227.329 2.183 50 0 BEAARN Cc1sc(N)c(C(N)=O)c1-c1ccccc1 ZINC000000333131 383853251 /nfs/dbraw/zinc/85/32/51/383853251.db2.gz WGLYCORMRHJGNI-UHFFFAOYSA-N 0 0 232.308 2.405 50 0 BEAARN CC(=O)Nc1nc2c(cc(N)cc2C)s1 ZINC000000321732 383853334 /nfs/dbraw/zinc/85/33/34/383853334.db2.gz ZKRPTWWWAIQIRD-UHFFFAOYSA-N 0 0 221.285 2.145 50 0 BEAARN O=c1oc2c3c(nn2c2ccccc12)CCCC3 ZINC000000302825 383854523 /nfs/dbraw/zinc/85/45/23/383854523.db2.gz PPOQXUHEEJOLMI-UHFFFAOYSA-N 0 0 240.262 2.320 50 0 BEAARN Nc1ncncc1-c1ccccc1Cl ZINC000000392349 383861795 /nfs/dbraw/zinc/86/17/95/383861795.db2.gz ADTRWRAHTJEMCT-UHFFFAOYSA-N 0 0 205.648 2.379 50 0 BEAARN c1ccc(Cn2nnnc2-c2ccccc2)cc1 ZINC000000388903 383861947 /nfs/dbraw/zinc/86/19/47/383861947.db2.gz YTRHEDWQEBRFOU-UHFFFAOYSA-N 0 0 236.278 2.388 50 0 BEAARN Cc1nnc2sc(-c3ccc(F)cc3)nn12 ZINC000000385103 383862203 /nfs/dbraw/zinc/86/22/03/383862203.db2.gz IDAOCOHSZYGHEU-UHFFFAOYSA-N 0 0 234.259 2.300 50 0 BEAARN Cn1ccnc1C(=O)c1ccc(Cl)cc1 ZINC000000398483 383864151 /nfs/dbraw/zinc/86/41/51/383864151.db2.gz SDDUQCWOAVSVHV-UHFFFAOYSA-N 0 0 220.659 2.305 50 0 BEAARN CC(C)COC(=O)c1cc(N)c(Cl)c(N)c1 ZINC000000404063 383864268 /nfs/dbraw/zinc/86/42/68/383864268.db2.gz KHUIRIRTZCOEMK-UHFFFAOYSA-N 0 0 242.706 2.317 50 0 BEAARN COC(=O)c1cc(Cl)ccc1NC(C)=O ZINC000000403513 383864779 /nfs/dbraw/zinc/86/47/79/383864779.db2.gz TVAAIYFBEWHVCV-UHFFFAOYSA-N 0 0 227.647 2.085 50 0 BEAARN CCc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000000454207 383868028 /nfs/dbraw/zinc/86/80/28/383868028.db2.gz INEPHMKILQSWBD-UHFFFAOYSA-N 0 0 241.356 2.280 50 0 BEAARN c1ccc2c3nnc(-c4ccncc4)n3ncc2c1 ZINC000000018011 383870943 /nfs/dbraw/zinc/87/09/43/383870943.db2.gz OUKBOSDMCLJBCO-UHFFFAOYSA-N 0 0 247.261 2.340 50 0 BEAARN Cc1ccc(C(=O)NCc2ccco2)o1 ZINC000000474810 383871216 /nfs/dbraw/zinc/87/12/16/383871216.db2.gz FXHBMOWNAZBSSC-UHFFFAOYSA-N 0 0 205.213 2.111 50 0 BEAARN COC(=O)c1cc(Cl)cc(Cl)c1O ZINC000000610980 383878318 /nfs/dbraw/zinc/87/83/18/383878318.db2.gz WFPHSUSTKMYQDI-UHFFFAOYSA-N 0 0 221.039 2.486 50 0 BEAARN c1ccc([C@H]2CN3CCSC3=N2)cc1 ZINC000000119839 383831175 /nfs/dbraw/zinc/83/11/75/383831175.db2.gz HLFSDGLLUJUHTE-SNVBAGLBSA-N 0 0 204.298 2.146 50 0 world BEAARN CC(=O)NCc1c(F)cccc1Cl ZINC000000138968 383832530 /nfs/dbraw/zinc/83/25/30/383832530.db2.gz QCKJMNXZVNHGJN-UHFFFAOYSA-N 0 0 201.628 2.115 50 0 BEAARN COC(=O)c1ccc(NC(=O)C=C(C)C)cc1 ZINC000000145625 383833231 /nfs/dbraw/zinc/83/32/31/383833231.db2.gz ZQMBJRSLSYDZPD-UHFFFAOYSA-N 0 0 233.267 2.378 50 0 BEAARN O=C1Nc2ccccc2[C@H]1Cc1ccccn1 ZINC000000157100 383835161 /nfs/dbraw/zinc/83/51/61/383835161.db2.gz PUNDIKJAFURLNT-GFCCVEGCSA-N 0 0 224.263 2.360 50 0 BEAARN CSCCOC(=O)C1CCCCC1 ZINC000098070457 383907659 /nfs/dbraw/zinc/90/76/59/383907659.db2.gz JJGOQTYGOONGBK-UHFFFAOYSA-N 0 0 202.319 2.473 50 0 BEAARN CSCCOC(=O)CC1CCCC1 ZINC000098070249 383908370 /nfs/dbraw/zinc/90/83/70/383908370.db2.gz UUTCKDUBQDLQNE-UHFFFAOYSA-N 0 0 202.319 2.473 50 0 BEAARN CCCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000001598997 383909062 /nfs/dbraw/zinc/90/90/62/383909062.db2.gz XFMKHPRAQATSFB-UHFFFAOYSA-N 0 0 247.747 2.418 50 0 BEAARN O=C1Nc2c(cc(Cl)cc2Cl)C1=O ZINC000001628160 383915649 /nfs/dbraw/zinc/91/56/49/383915649.db2.gz AYGGQJHJRFZDFH-UHFFFAOYSA-N 0 0 216.023 2.128 50 0 in-vivo BEAARN CCSCCSCc1nc(C)no1 ZINC000091617167 383919375 /nfs/dbraw/zinc/91/93/75/383919375.db2.gz NBETVHZAJZTOPJ-UHFFFAOYSA-N 0 0 218.347 2.364 50 0 BEAARN CC(=O)NC(=S)Nc1c(C)cc(C)cc1C ZINC000001003787 383886043 /nfs/dbraw/zinc/88/60/43/383886043.db2.gz XSWDVYWNTZNOHF-UHFFFAOYSA-N 0 0 236.340 2.445 50 0 BEAARN O=C1O[C@H]([C@H]2CCCCC2=O)C(Cl)=C1Cl ZINC000001028787 383886136 /nfs/dbraw/zinc/88/61/36/383886136.db2.gz BVTPNHNQOIOZQK-SSDLBLMSSA-N 0 0 249.093 2.360 50 0 BEAARN CC(C)Cc1nc2ccccc2n1CC(=O)[O-] ZINC000001079376 383889291 /nfs/dbraw/zinc/88/92/91/383889291.db2.gz WVTDHCOOWHHKHF-UHFFFAOYSA-N 0 0 232.283 2.319 50 0 BEAARN CC(C)(C)OC(=O)N[C@H]1CCCCC1=O ZINC000001442795 383900565 /nfs/dbraw/zinc/90/05/65/383900565.db2.gz GHIGUHHFUUAJJN-QMMMGPOBSA-N 0 0 213.277 2.023 50 0 BEAARN Cc1n[nH]c(C)c1NC(=O)OCC(F)(F)F ZINC000036736597 383906134 /nfs/dbraw/zinc/90/61/34/383906134.db2.gz FMWVFGOHIHSJNX-UHFFFAOYSA-N 0 0 237.181 2.137 50 0 BEAARN CCOP(=O)(OCC)c1cccc(O)c1 ZINC000002573152 383978566 /nfs/dbraw/zinc/97/85/66/383978566.db2.gz NXNQMKQLDMKXGY-UHFFFAOYSA-N 0 0 230.200 2.284 50 0 BEAARN O=C(c1cc(C2CC2)on1)N1C[C@H]2CCC[C@@H]2C1 ZINC000089764796 383993468 /nfs/dbraw/zinc/99/34/68/383993468.db2.gz UOLJWEZUSWHMQY-GHMZBOCLSA-N 0 0 246.310 2.424 50 0 BEAARN Cc1cc(C)c(NC(=O)C(=O)NC(C)C)c(C)c1 ZINC000002993922 383995877 /nfs/dbraw/zinc/99/58/77/383995877.db2.gz KYVKILYKMUMAQM-UHFFFAOYSA-N 0 0 248.326 2.075 50 0 BEAARN O=C(c1cccnc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000089793927 383996570 /nfs/dbraw/zinc/99/65/70/383996570.db2.gz PEYXARVGHKTKPT-AAEUAGOBSA-N 0 0 230.311 2.486 50 0 BEAARN O=C(c1cccnc1)N1CCC[C@H]2CCC[C@H]21 ZINC000089793928 383997378 /nfs/dbraw/zinc/99/73/78/383997378.db2.gz PEYXARVGHKTKPT-DGCLKSJQSA-N 0 0 230.311 2.486 50 0 BEAARN Cc1nc(C(=O)C(F)(F)F)c2ccccn12 ZINC000068575442 383999751 /nfs/dbraw/zinc/99/97/51/383999751.db2.gz TXPTYBILHJJZGF-UHFFFAOYSA-N 0 0 228.173 2.388 50 0 BEAARN Clc1nccc2n[nH]c(Br)c21 ZINC000089220189 383950247 /nfs/dbraw/zinc/95/02/47/383950247.db2.gz CTZAGTLJGOBGEJ-UHFFFAOYSA-N 0 0 232.468 2.374 50 0 BEAARN Cn1cc(/C=C\C(=O)NCC2CCCCC2)cn1 ZINC000096845179 383952578 /nfs/dbraw/zinc/95/25/78/383952578.db2.gz SZRNTFJBEUSAMD-FPLPWBNLSA-N 0 0 247.342 2.130 50 0 BEAARN CCCC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000002168320 383954744 /nfs/dbraw/zinc/95/47/44/383954744.db2.gz FJQCWUDEVCYMRZ-NSHDSACASA-N 0 0 248.351 2.467 50 0 BEAARN Cc1ccc(C(F)(F)F)cc1C(N)=O ZINC000002382161 383958687 /nfs/dbraw/zinc/95/86/87/383958687.db2.gz WPKYOPRYNZOLOF-UHFFFAOYSA-N 0 0 203.163 2.113 50 0 BEAARN Brc1ncnc2ccccc12 ZINC000037715804 384000994 /nfs/dbraw/zinc/00/09/94/384000994.db2.gz WJYKTNSYMVJDBR-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Cc1cc(N)n(-c2cc(C)ccc2C)n1 ZINC000003278430 384001310 /nfs/dbraw/zinc/00/13/10/384001310.db2.gz OAECJVRTCWGNCR-UHFFFAOYSA-N 0 0 201.273 2.380 50 0 BEAARN C=Cn1ccnc1[C@H](O)c1ccc(C)cc1 ZINC000002506018 383967326 /nfs/dbraw/zinc/96/73/26/383967326.db2.gz HXAFPTPHVXHNSL-GFCCVEGCSA-N 0 0 214.268 2.374 50 0 BEAARN c1ccc(CSc2nnc3n2CCCN3)cc1 ZINC000002509660 383969917 /nfs/dbraw/zinc/96/99/17/383969917.db2.gz BPMPZEZAULBBEZ-UHFFFAOYSA-N 0 0 246.339 2.386 50 0 BEAARN Nc1ncn(Cc2c(Cl)cccc2Cl)n1 ZINC000002558435 383974235 /nfs/dbraw/zinc/97/42/35/383974235.db2.gz ITSGRBOJRXXVKJ-UHFFFAOYSA-N 0 0 243.097 2.215 50 0 BEAARN CC(C)(C)OC(=O)n1nnc2ccccc21 ZINC000002564748 383976415 /nfs/dbraw/zinc/97/64/15/383976415.db2.gz NWMQPTCDOIQMHM-UHFFFAOYSA-N 0 0 219.244 2.215 50 0 BEAARN Cc1cccc(Cc2nnc(N)s2)c1 ZINC000003716266 384025610 /nfs/dbraw/zinc/02/56/10/384025610.db2.gz PBMJDOZBOLDGHG-UHFFFAOYSA-N 0 0 205.286 2.020 50 0 BEAARN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccon1 ZINC000089922479 384009817 /nfs/dbraw/zinc/00/98/17/384009817.db2.gz ZCAVDMUAONDKEQ-FOGDFJRCSA-N 0 0 234.299 2.468 50 0 BEAARN CC(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000089930018 384010504 /nfs/dbraw/zinc/01/05/04/384010504.db2.gz GJUKTYBODLUOKD-SNVBAGLBSA-N 0 0 218.300 2.268 50 0 BEAARN CO[C@@H]1CCC12CCN(C(=O)c1ccco1)CC2 ZINC000257182827 384042801 /nfs/dbraw/zinc/04/28/01/384042801.db2.gz QFFGSECNYSOSKI-GFCCVEGCSA-N 0 0 249.310 2.311 50 0 BEAARN COC(=O)c1ccc(-n2cccn2)cc1Cl ZINC000003883594 384030932 /nfs/dbraw/zinc/03/09/32/384030932.db2.gz HXJXLEKOOHNJOB-UHFFFAOYSA-N 0 0 236.658 2.312 50 0 BEAARN CCCCOC(=O)/C=C/C(=O)OCCCC ZINC000003875744 384031428 /nfs/dbraw/zinc/03/14/28/384031428.db2.gz JBSLOWBPDRZSMB-BQYQJAHWSA-N 0 0 228.288 2.229 50 0 BEAARN C[C@@H](NC(N)=O)C12CC3CC(CC(C3)C1)C2 ZINC000003995671 384035709 /nfs/dbraw/zinc/03/57/09/384035709.db2.gz NMBVEIZNXHUWAS-SEOMOHDOSA-N 0 0 222.332 2.260 50 0 BEAARN c1ccc2c(c1)ccc1c2[C@H]2NOC[C@H]2CO1 ZINC000004040072 384039286 /nfs/dbraw/zinc/03/92/86/384039286.db2.gz QAXKEZGOMLRGLA-YGRLFVJLSA-N 0 0 227.263 2.424 50 0 BEAARN COC(=O)c1[nH]c2ccc(OC)cc2c1C ZINC000004073070 384039923 /nfs/dbraw/zinc/03/99/23/384039923.db2.gz FXCIBIGWCGHVPM-UHFFFAOYSA-N 0 0 219.240 2.272 50 0 BEAARN C[C@H](O)CN(C)c1nc2ccccc2s1 ZINC000049776508 384042697 /nfs/dbraw/zinc/04/26/97/384042697.db2.gz QJPBEAZYMPLOBM-QMMMGPOBSA-N 0 0 222.313 2.113 50 0 BEAARN COC(=O)c1cccc(NC(=O)CC(C)C)c1 ZINC000004809061 384084551 /nfs/dbraw/zinc/08/45/51/384084551.db2.gz TTZGQOOJYRLYCR-UHFFFAOYSA-N 0 0 235.283 2.458 50 0 BEAARN Brc1n[nH]nc1-c1ccccc1 ZINC000038665631 384092121 /nfs/dbraw/zinc/09/21/21/384092121.db2.gz JHODODBNOMARQV-UHFFFAOYSA-N 0 0 224.061 2.234 50 0 BEAARN CCCCNc1ncc(Br)cn1 ZINC000038537687 384086812 /nfs/dbraw/zinc/08/68/12/384086812.db2.gz AEIXIQHMEZRXJD-UHFFFAOYSA-N 0 0 230.109 2.451 50 0 BEAARN COc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000000327030 384059562 /nfs/dbraw/zinc/05/95/62/384059562.db2.gz TUHIVTRFRSFSQP-UHFFFAOYSA-N 0 0 217.203 2.259 50 0 BEAARN Cc1nnc2sc(CCc3ccccc3)nn12 ZINC000004487547 384062718 /nfs/dbraw/zinc/06/27/18/384062718.db2.gz IPHWDXJSBLBOMU-UHFFFAOYSA-N 0 0 244.323 2.279 50 0 BEAARN FC(F)(F)Cn1cc(Br)cn1 ZINC000038074760 384065117 /nfs/dbraw/zinc/06/51/17/384065117.db2.gz ODBMLKPFRGSZSG-UHFFFAOYSA-N 0 0 228.999 2.208 50 0 BEAARN C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000090635813 384065134 /nfs/dbraw/zinc/06/51/34/384065134.db2.gz MAKWYVSEDPFHGW-AWEZNQCLSA-N 0 0 249.310 2.170 50 0 BEAARN Cc1cccc(C(=O)Nc2ncccc2O)c1 ZINC000004759445 384080174 /nfs/dbraw/zinc/08/01/74/384080174.db2.gz LVVRTGDZXCNJBK-UHFFFAOYSA-N 0 0 228.251 2.348 50 0 BEAARN Nc1ncccc1C(=O)c1cc(F)cc(F)c1 ZINC000070319969 384102160 /nfs/dbraw/zinc/10/21/60/384102160.db2.gz VDMGBKKHGAPVIW-UHFFFAOYSA-N 0 0 234.205 2.173 50 0 BEAARN COC(=O)[C@H](NC(=O)C(C)(C)C)c1ccccc1 ZINC000005495965 384118957 /nfs/dbraw/zinc/11/89/57/384118957.db2.gz VEFCLBBOUMFNEI-LLVKDONJSA-N 0 0 249.310 2.063 50 0 BEAARN O=C1O[C@H]([C@@H]2CCCCC2=O)C(Cl)=C1Cl ZINC000005223948 384107480 /nfs/dbraw/zinc/10/74/80/384107480.db2.gz BVTPNHNQOIOZQK-MLUIRONXSA-N 0 0 249.093 2.360 50 0 BEAARN COC(=O)c1cc(Br)c(Cl)o1 ZINC000039189353 384107818 /nfs/dbraw/zinc/10/78/18/384107818.db2.gz FPYRTJHIEIYRJQ-UHFFFAOYSA-N 0 0 239.452 2.482 50 0 BEAARN FC(F)c1nnc(Br)s1 ZINC000071051418 384147854 /nfs/dbraw/zinc/14/78/54/384147854.db2.gz GQUADXWTZXHNAT-UHFFFAOYSA-N 0 0 215.022 2.238 50 0 BEAARN O=Cc1c(Cl)nccc1Br ZINC000071254881 384154601 /nfs/dbraw/zinc/15/46/01/384154601.db2.gz KHGMGNDNTOOOLP-UHFFFAOYSA-N 0 0 220.453 2.310 50 0 BEAARN COC(=O)c1ccc2ncn(C(C)C)c2c1 ZINC000040456642 384154931 /nfs/dbraw/zinc/15/49/31/384154931.db2.gz WSQONGVHLXDVAQ-UHFFFAOYSA-N 0 0 218.256 2.404 50 0 BEAARN Nc1nccc(Cl)c1Br ZINC000071256013 384156965 /nfs/dbraw/zinc/15/69/65/384156965.db2.gz CNOIGNSHTUNNGC-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)[O-] ZINC000237356795 384157229 /nfs/dbraw/zinc/15/72/29/384157229.db2.gz OEWXNAJKFYKSEP-KOLCDFICSA-N 0 0 237.274 2.088 50 0 BEAARN CC[C@H](C)[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005925331 384138305 /nfs/dbraw/zinc/13/83/05/384138305.db2.gz NMRFWXLNHGJLIU-GXSJLCMTSA-N 0 0 248.351 2.322 50 0 BEAARN CSc1nccn2c(Br)cnc12 ZINC000091692495 384138547 /nfs/dbraw/zinc/13/85/47/384138547.db2.gz XBYIGALBZPSWNX-UHFFFAOYSA-N 0 0 244.117 2.214 50 0 BEAARN O=C1CCc2cc(Br)cc(F)c2N1 ZINC000091692735 384139131 /nfs/dbraw/zinc/13/91/31/384139131.db2.gz GTFNRAZIYBSYOI-UHFFFAOYSA-N 0 0 244.063 2.473 50 0 BEAARN Cc1ccc(C(=O)Nc2nnc(C)s2)o1 ZINC000000369284 384145887 /nfs/dbraw/zinc/14/58/87/384145887.db2.gz WJWKILYODWMPPG-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN CC(C)(C)OC(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000071606078 384172819 /nfs/dbraw/zinc/17/28/19/384172819.db2.gz QZMUVNRDYLNZDA-VIFPVBQESA-N 0 0 229.320 2.014 50 0 BEAARN Cc1nccc(NCCOCc2ccccc2)n1 ZINC000080686263 384174047 /nfs/dbraw/zinc/17/40/47/384174047.db2.gz BNWZQNZDMFSWPN-UHFFFAOYSA-N 0 0 243.310 2.414 50 0 BEAARN COC(=O)c1ccc(NC(C)(C)C)c(N)c1 ZINC000041046088 384175349 /nfs/dbraw/zinc/17/53/49/384175349.db2.gz GPVIASMXBGDGOU-UHFFFAOYSA-N 0 0 222.288 2.266 50 0 BEAARN O=C1c2ccccc2NC(=S)[C@@H]2CCCN12 ZINC000006583009 384158809 /nfs/dbraw/zinc/15/88/09/384158809.db2.gz BZHZJGWHSFMMMN-JTQLQIEISA-N 0 0 232.308 2.044 50 0 BEAARN C=CN1CCCC[C@@H](C(=O)c2cccnc2)C1=O ZINC000006658281 384160788 /nfs/dbraw/zinc/16/07/88/384160788.db2.gz VEXBMZNDUMZNBA-LBPRGKRZSA-N 0 0 244.294 2.037 50 0 BEAARN COC(=O)c1cc2nc(C)[nH]c2c(Cl)c1 ZINC000117019611 384161620 /nfs/dbraw/zinc/16/16/20/384161620.db2.gz PXDVDEFZBWZDRO-UHFFFAOYSA-N 0 0 224.647 2.311 50 0 BEAARN CC[C@@H](NC(=O)c1ccnn1C)c1ccccc1 ZINC000006698825 384162395 /nfs/dbraw/zinc/16/23/95/384162395.db2.gz GATWOYFTFLMHNX-GFCCVEGCSA-N 0 0 243.310 2.301 50 0 BEAARN O=Cc1cccc(OCc2ccccn2)c1 ZINC000006660576 384163350 /nfs/dbraw/zinc/16/33/50/384163350.db2.gz SFDUHLLXTUKHRY-UHFFFAOYSA-N 0 0 213.236 2.473 50 0 BEAARN COc1ccc(OCCn2cccc2C=O)cc1 ZINC000006674231 384163845 /nfs/dbraw/zinc/16/38/45/384163845.db2.gz QFVKALHFMKIHDU-UHFFFAOYSA-N 0 0 245.278 2.388 50 0 BEAARN Cn1ccnc1SCc1cncc(F)c1 ZINC000336223061 384170613 /nfs/dbraw/zinc/17/06/13/384170613.db2.gz URSHGTMOMXDCGU-UHFFFAOYSA-N 0 0 223.276 2.247 50 0 BEAARN CSCCn1cc(NC(=O)C(C)(C)C)cn1 ZINC000097378075 384185008 /nfs/dbraw/zinc/18/50/08/384185008.db2.gz JWLRPNKYCBOPRJ-UHFFFAOYSA-N 0 0 241.360 2.231 50 0 BEAARN C/C(N)=C/C(=O)Nc1ccccc1Cl ZINC000071773058 384177905 /nfs/dbraw/zinc/17/79/05/384177905.db2.gz WECZNVJWJNDWNE-SREVYHEPSA-N 0 0 210.664 2.141 50 0 BEAARN COC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000071790764 384179670 /nfs/dbraw/zinc/17/96/70/384179670.db2.gz XOYPOULSHGDOMD-ZDUSSCGKSA-N 0 0 204.269 2.355 50 0 BEAARN CCc1ccc(Cn2cc(CCO)cn2)cc1 ZINC000097375715 384180587 /nfs/dbraw/zinc/18/05/87/384180587.db2.gz USLNOUCGUGCFSW-UHFFFAOYSA-N 0 0 230.311 2.029 50 0 BEAARN Cc1ccc(C(=O)n2nnc3ccccc32)o1 ZINC000002737640 384181863 /nfs/dbraw/zinc/18/18/63/384181863.db2.gz VAPSWOUHVVVZAG-UHFFFAOYSA-N 0 0 227.223 2.021 50 0 BEAARN COc1cncc(Br)c1C ZINC000071864016 384183801 /nfs/dbraw/zinc/18/38/01/384183801.db2.gz HOJSFKYTLBAFCV-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2ccn(C)n2)cc1 ZINC000002760861 384184332 /nfs/dbraw/zinc/18/43/32/384184332.db2.gz QZDFVEQFHGZRHR-LLVKDONJSA-N 0 0 243.310 2.220 50 0 BEAARN COC(=O)c1cc2cc(C)ccc2n1C ZINC000008414201 384201099 /nfs/dbraw/zinc/20/10/99/384201099.db2.gz XCLVWEJWFCVZCT-UHFFFAOYSA-N 0 0 203.241 2.273 50 0 BEAARN Nc1nnc(Cc2cccc3ccccc32)o1 ZINC000008655124 384206998 /nfs/dbraw/zinc/20/69/98/384206998.db2.gz MHVBKEOAWZXBES-UHFFFAOYSA-N 0 0 225.251 2.396 50 0 BEAARN c1ccc2c(c1)C[C@@H]1[C@@H](CNc3cnccn3)[C@H]21 ZINC000132493155 384190711 /nfs/dbraw/zinc/19/07/11/384190711.db2.gz NDMFNBVIEPJMCG-UMVBOHGHSA-N 0 0 237.306 2.474 50 0 BEAARN Cc1ccc(O[C@H](C)C(=O)NC2CC2)c(C)c1 ZINC000008049095 384192012 /nfs/dbraw/zinc/19/20/12/384192012.db2.gz ZNAZPKNZPSPHEW-LLVKDONJSA-N 0 0 233.311 2.349 50 0 BEAARN C1CC1Nc1nc(C2CCCC2)nc2c1CNC2 ZINC000072171440 384198725 /nfs/dbraw/zinc/19/87/25/384198725.db2.gz DPTUPSDQTVMGRB-UHFFFAOYSA-N 0 0 244.342 2.312 50 0 BEAARN CC(C)n1ccc(I)n1 ZINC000072339573 384208155 /nfs/dbraw/zinc/20/81/55/384208155.db2.gz OQIHVCDANZPVDQ-UHFFFAOYSA-N 0 0 236.056 2.069 50 0 BEAARN O=Cc1ccc(-n2cccn2)cc1Cl ZINC000042684261 384236821 /nfs/dbraw/zinc/23/68/21/384236821.db2.gz SLALOCOMXZNERI-UHFFFAOYSA-N 0 0 206.632 2.338 50 0 BEAARN COC(=O)c1cc(C)cc(Br)c1N ZINC000008703130 384209750 /nfs/dbraw/zinc/20/97/50/384209750.db2.gz DHWLYKLRXJWJJM-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN Cc1ccc(C(=O)c2cc(C=O)n(C)c2)cc1 ZINC000009280517 384240132 /nfs/dbraw/zinc/24/01/32/384240132.db2.gz HJSNZFJOGNZNAM-UHFFFAOYSA-N 0 0 227.263 2.377 50 0 BEAARN Nc1cc(-c2cccc(Br)c2)[nH]n1 ZINC000008729812 384212322 /nfs/dbraw/zinc/21/23/22/384212322.db2.gz NQFSHBKZGKSELV-UHFFFAOYSA-N 0 0 238.088 2.421 50 0 BEAARN CNC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000008722943 384213014 /nfs/dbraw/zinc/21/30/14/384213014.db2.gz YZRUGTLIEQRAQS-UHFFFAOYSA-N 0 0 234.299 2.031 50 0 BEAARN Cc1ccc(C)c(OCCc2nnc(N)s2)c1 ZINC000008728309 384213223 /nfs/dbraw/zinc/21/32/23/384213223.db2.gz PSWAPJYIOHBQFB-UHFFFAOYSA-N 0 0 249.339 2.359 50 0 BEAARN CCOCCOc1ccc(Br)cn1 ZINC000042389195 384218203 /nfs/dbraw/zinc/21/82/03/384218203.db2.gz ZBVGEMXJEOQTAF-UHFFFAOYSA-N 0 0 246.104 2.259 50 0 BEAARN CCCC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000010474023 384277213 /nfs/dbraw/zinc/27/72/13/384277213.db2.gz ZNXHVOVIEXZWQB-UHFFFAOYSA-N 0 0 207.273 2.275 50 0 BEAARN Cc1nc2cc(C)ccn2c1-c1nnco1 ZINC000000160129 384268083 /nfs/dbraw/zinc/26/80/83/384268083.db2.gz ZYGPTBXIWFIKSY-UHFFFAOYSA-N 0 0 214.228 2.001 50 0 BEAARN COC(=O)c1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000043367974 384271791 /nfs/dbraw/zinc/27/17/91/384271791.db2.gz PLJUNKFWSHGRNI-MRVPVSSYSA-N 0 0 234.173 2.069 50 0 BEAARN Cc1ccccc1NC(=O)Cn1cccc1 ZINC000012341583 384309197 /nfs/dbraw/zinc/30/91/97/384309197.db2.gz KEEJSYMHRNDPEP-UHFFFAOYSA-N 0 0 214.268 2.435 50 0 BEAARN COC(=O)c1ccc(Cl)cc1NC(C)=O ZINC000000092843 384314395 /nfs/dbraw/zinc/31/43/95/384314395.db2.gz DKFAYQCXBCDRFR-UHFFFAOYSA-N 0 0 227.647 2.085 50 0 BEAARN O=Cc1ccc(OC2CCOCC2)cc1 ZINC000012370468 384314527 /nfs/dbraw/zinc/31/45/27/384314527.db2.gz SIHCMIVOQNBOFV-UHFFFAOYSA-N 0 0 206.241 2.057 50 0 BEAARN CC(C)(C)NS(=O)(=O)C1(CC2CC2)CC1 ZINC000097758676 384284272 /nfs/dbraw/zinc/28/42/72/384284272.db2.gz BXVAGNDPQWGKII-UHFFFAOYSA-N 0 0 231.361 2.037 50 0 BEAARN Nc1cccc2oc(C(F)(F)F)nc21 ZINC000074413131 384284476 /nfs/dbraw/zinc/28/44/76/384284476.db2.gz FXORYKCMDPURQG-UHFFFAOYSA-N 0 0 202.135 2.429 50 0 BEAARN O=c1[nH]c2cc(OCC[C@H]3CCCO3)ccc2o1 ZINC000408524975 384290611 /nfs/dbraw/zinc/29/06/11/384290611.db2.gz FEGQBJNNFCMZHN-SECBINFHSA-N 0 0 249.266 2.481 50 0 BEAARN CC(C)C(=O)OCCCc1cccnc1 ZINC000097044180 384299806 /nfs/dbraw/zinc/29/98/06/384299806.db2.gz WUILVJAATLZUPO-UHFFFAOYSA-N 0 0 207.273 2.213 50 0 BEAARN O=C(CC1CCCCC1)NC[C@H]1CCCO1 ZINC000000780042 384341503 /nfs/dbraw/zinc/34/15/03/384341503.db2.gz QFQXFFWYUUVKIN-GFCCVEGCSA-N 0 0 225.332 2.252 50 0 BEAARN COC(=O)c1c(N)scc1-c1ccncc1 ZINC000012949942 384343263 /nfs/dbraw/zinc/34/32/63/384343263.db2.gz VKXUCDRKQIJIRQ-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN COC(=O)c1cccc(NC(=O)C(C)C)c1C ZINC000012984709 384344842 /nfs/dbraw/zinc/34/48/42/384344842.db2.gz GQGZANZMBDHNLR-UHFFFAOYSA-N 0 0 235.283 2.376 50 0 BEAARN C[C@@H](NC(=O)CC(F)(F)F)c1cccnc1 ZINC000044604023 384347769 /nfs/dbraw/zinc/34/77/69/384347769.db2.gz KSQZTFMCGMXBRJ-SSDOTTSWSA-N 0 0 232.205 2.211 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCO2)cc1 ZINC000013327700 384355946 /nfs/dbraw/zinc/35/59/46/384355946.db2.gz HLHIJMBYGLSGPE-YPMHNXCESA-N 0 0 233.311 2.351 50 0 BEAARN COc1ccc(CCNC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000013327931 384356166 /nfs/dbraw/zinc/35/61/66/384356166.db2.gz GRXVUOWENPEAJM-GWCFXTLKSA-N 0 0 233.311 2.010 50 0 BEAARN CC(=O)N(C)c1cccc(NC(=O)C2CC2)c1 ZINC000044821762 384358862 /nfs/dbraw/zinc/35/88/62/384358862.db2.gz SPNLDNONAQUDNI-UHFFFAOYSA-N 0 0 232.283 2.018 50 0 BEAARN Cc1n[nH]c(C)c1CC(=O)Nc1ccccc1 ZINC000044803139 384359240 /nfs/dbraw/zinc/35/92/40/384359240.db2.gz JRUBKVJMIPOXIP-UHFFFAOYSA-N 0 0 229.283 2.208 50 0 BEAARN NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000335766107 384374271 /nfs/dbraw/zinc/37/42/71/384374271.db2.gz WCMBTDLMEJETBP-UHFFFAOYSA-N 0 0 218.178 2.282 50 0 BEAARN Clc1nc(Cl)n([C@@H]2CCCCO2)n1 ZINC000044902861 384364324 /nfs/dbraw/zinc/36/43/24/384364324.db2.gz COQOQVXWURFPDT-YFKPBYRVSA-N 0 0 222.075 2.284 50 0 BEAARN Cc1cccnc1NC(=S)NCc1ccco1 ZINC000013523055 384365976 /nfs/dbraw/zinc/36/59/76/384365976.db2.gz YMNXBZJVOSEXJN-UHFFFAOYSA-N 0 0 247.323 2.470 50 0 BEAARN Cc1ccnc(NCCCNc2cccnc2)n1 ZINC000095353642 384371018 /nfs/dbraw/zinc/37/10/18/384371018.db2.gz RTQKCGIMWXNXGT-UHFFFAOYSA-N 0 0 243.314 2.094 50 0 BEAARN Cc1ccc2c(n1)OCCN2Cc1nccs1 ZINC000097109948 384371702 /nfs/dbraw/zinc/37/17/02/384371702.db2.gz PZEAKKFBKGMYCS-UHFFFAOYSA-N 0 0 247.323 2.246 50 0 BEAARN Nc1ccc(OC(F)F)c2cccnc12 ZINC000095883758 384405686 /nfs/dbraw/zinc/40/56/86/384405686.db2.gz JWTQKVKKARCGCQ-UHFFFAOYSA-N 0 0 210.183 2.418 50 0 BEAARN Nc1cc(Br)cc(Cl)n1 ZINC000095929560 384410440 /nfs/dbraw/zinc/41/04/40/384410440.db2.gz LTMVAXRYNDYCBC-UHFFFAOYSA-N 0 0 207.458 2.080 50 0 BEAARN CSc1n[nH]c(-c2ccnc3c2ccn3C)n1 ZINC000077538436 384411537 /nfs/dbraw/zinc/41/15/37/384411537.db2.gz KMPOMFOUBKJRFS-UHFFFAOYSA-N 0 0 245.311 2.080 50 0 BEAARN COC(=O)c1cc(Br)cc(N)c1C ZINC000014985563 384411590 /nfs/dbraw/zinc/41/15/90/384411590.db2.gz NMLOSXSDLWFBKT-UHFFFAOYSA-N 0 0 244.088 2.126 50 0 BEAARN C[C@@H]1Sc2nncn2N=C1c1ccccc1 ZINC000033737638 384415632 /nfs/dbraw/zinc/41/56/32/384415632.db2.gz DSDMCHWFBNYULG-QMMMGPOBSA-N 0 0 230.296 2.025 50 0 BEAARN CN(CC1CC1)C(=O)Nc1ccncc1F ZINC000095940254 384416724 /nfs/dbraw/zinc/41/67/24/384416724.db2.gz KIUFSAABLNWXMY-UHFFFAOYSA-N 0 0 223.251 2.094 50 0 BEAARN C[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000096026220 384421273 /nfs/dbraw/zinc/42/12/73/384421273.db2.gz CJGCFSACALSTJS-YPMHNXCESA-N 0 0 233.311 2.085 50 0 BEAARN Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237761440 384376906 /nfs/dbraw/zinc/37/69/06/384376906.db2.gz LCBNQFDBNSJXTJ-CYBMUJFWSA-N 0 0 233.311 2.087 50 0 BEAARN Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000237761195 384377014 /nfs/dbraw/zinc/37/70/14/384377014.db2.gz LCBNQFDBNSJXTJ-ZDUSSCGKSA-N 0 0 233.311 2.087 50 0 BEAARN FC1(F)CCC[C@H](Nc2ncccn2)C1 ZINC000308857972 384379412 /nfs/dbraw/zinc/37/94/12/384379412.db2.gz UOBYQGXBYDRGQV-QMMMGPOBSA-N 0 0 213.231 2.466 50 0 BEAARN Cc1noc(C)c1CN1C(=O)OC[C@@H]1C(C)C ZINC000095505384 384380546 /nfs/dbraw/zinc/38/05/46/384380546.db2.gz FWSVNSQTWBYDOC-LLVKDONJSA-N 0 0 238.287 2.268 50 0 BEAARN O=C(Nc1nccs1)c1ccc2c(c1)CCO2 ZINC000032795170 384381082 /nfs/dbraw/zinc/38/10/82/384381082.db2.gz PTONUNDBGQCDJK-UHFFFAOYSA-N 0 0 246.291 2.330 50 0 BEAARN Cc1cnc(Cl)c(Br)n1 ZINC000095616332 384383572 /nfs/dbraw/zinc/38/35/72/384383572.db2.gz YSIAGBFCCBWKPA-UHFFFAOYSA-N 0 0 207.458 2.201 50 0 BEAARN CCc1ccc(NC(=O)c2ccc[nH]c2=O)cc1 ZINC000014240829 384388010 /nfs/dbraw/zinc/38/80/10/384388010.db2.gz UGCHXFBKCHAKGG-UHFFFAOYSA-N 0 0 242.278 2.190 50 0 BEAARN Cc1cccc(N2CCC[C@@H](n3cccn3)C2)n1 ZINC000097163284 384388582 /nfs/dbraw/zinc/38/85/82/384388582.db2.gz QYZIGWACRQDPPW-CYBMUJFWSA-N 0 0 242.326 2.428 50 0 BEAARN O=C(O[C@H]1CCOC1)C1=CCCCCC1 ZINC000097164141 384389700 /nfs/dbraw/zinc/38/97/00/384389700.db2.gz ZXOUOLLSQRYBBZ-NSHDSACASA-N 0 0 210.273 2.209 50 0 BEAARN Clc1ncc2ccc(Br)n2n1 ZINC000095707382 384390072 /nfs/dbraw/zinc/39/00/72/384390072.db2.gz GNBPRRMUWCRCOC-UHFFFAOYSA-N 0 0 232.468 2.145 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@](C)(CO)C1 ZINC000095707233 384390969 /nfs/dbraw/zinc/39/09/69/384390969.db2.gz ZGNKCYOZCJEKOH-LBPRGKRZSA-N 0 0 229.320 2.016 50 0 BEAARN FC(F)(F)c1cnc(Br)nc1 ZINC000047212289 384444447 /nfs/dbraw/zinc/44/44/47/384444447.db2.gz FEAGCADVLQYESC-UHFFFAOYSA-N 0 0 226.983 2.258 50 0 BEAARN CCCO[C@H]1CCC[N@@H+]([C@H](CC)C(=O)[O-])CC1 ZINC000248988767 384446852 /nfs/dbraw/zinc/44/68/52/384446852.db2.gz WDUTZPAJISAQHM-NWDGAFQWSA-N 0 0 243.347 2.131 50 0 BEAARN CC(=O)c1cc2c(cc1C)OCCCO2 ZINC000096295111 384449216 /nfs/dbraw/zinc/44/92/16/384449216.db2.gz IOEUSKOJOKJCKH-UHFFFAOYSA-N 0 0 206.241 2.359 50 0 BEAARN Cc1ccc(C)c(OCc2nnc(N)s2)c1 ZINC000000052826 384456388 /nfs/dbraw/zinc/45/63/88/384456388.db2.gz ANSVDSMQFXEIAG-UHFFFAOYSA-N 0 0 235.312 2.316 50 0 BEAARN COC(=O)c1cccc(F)c1Br ZINC000047202229 384443582 /nfs/dbraw/zinc/44/35/82/384443582.db2.gz UDCCTNIBELHUQN-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN COC(=O)c1c(F)cccc1Br ZINC000047202231 384443822 /nfs/dbraw/zinc/44/38/22/384443822.db2.gz TZQFXIYFLBBLQJ-UHFFFAOYSA-N 0 0 233.036 2.375 50 0 BEAARN CC(C)(C)c1noc(NCc2cscn2)n1 ZINC000097231718 384460268 /nfs/dbraw/zinc/46/02/68/384460268.db2.gz ZKDDWMNFTPGVSI-UHFFFAOYSA-N 0 0 238.316 2.436 50 0 BEAARN C[C@@H](NC(=O)C(C)(C)C)c1ccncc1 ZINC000016603600 384462198 /nfs/dbraw/zinc/46/21/98/384462198.db2.gz DYSCDQSOFROIGV-SECBINFHSA-N 0 0 206.289 2.305 50 0 BEAARN CC(C)CC(=O)NOCc1ccccc1 ZINC000061509068 384468211 /nfs/dbraw/zinc/46/82/11/384468211.db2.gz CDMDWDOOUCLPST-UHFFFAOYSA-N 0 0 207.273 2.281 50 0 BEAARN O=C1NCCc2c(Cl)c(Cl)ccc21 ZINC000047844244 384468612 /nfs/dbraw/zinc/46/86/12/384468612.db2.gz SBVHUZPHJVYZAN-UHFFFAOYSA-N 0 0 216.067 2.279 50 0 BEAARN Cc1ccc(F)cc1Cn1ccccc1=O ZINC000097856068 384474048 /nfs/dbraw/zinc/47/40/48/384474048.db2.gz HPSLQMOESNYVHB-UHFFFAOYSA-N 0 0 217.243 2.344 50 0 BEAARN Cc1ccc(NC(=S)NC2CC2)c(O)c1 ZINC000016970592 384475376 /nfs/dbraw/zinc/47/53/76/384475376.db2.gz MFNPMJVBCDISKE-UHFFFAOYSA-N 0 0 222.313 2.149 50 0 BEAARN COCOc1cccc(C(=O)c2ccncc2)c1 ZINC000019087651 384509943 /nfs/dbraw/zinc/50/99/43/384509943.db2.gz WYSOVAPOWHZNAG-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN CC(C)(CNc1nc2ccccc2s1)C(N)=O ZINC000071955509 384510678 /nfs/dbraw/zinc/51/06/78/384510678.db2.gz INUYMTPSZSIXRV-UHFFFAOYSA-N 0 0 249.339 2.220 50 0 BEAARN CC(C)CSCCN1C(=O)[C@@H](C)[C@H](C)C1=O ZINC000097032628 384535242 /nfs/dbraw/zinc/53/52/42/384535242.db2.gz OFZIRYUZDABPHR-UWVGGRQHSA-N 0 0 243.372 2.017 50 0 BEAARN Nc1nnc(-c2cccc3ccccc32)o1 ZINC000019281077 384516395 /nfs/dbraw/zinc/51/63/95/384516395.db2.gz VYISJPAVHRPXIH-UHFFFAOYSA-N 0 0 211.224 2.472 50 0 BEAARN C[C@@H]1OCCN(c2nc3ccccc3[nH]2)[C@H]1C ZINC000270561994 384535985 /nfs/dbraw/zinc/53/59/85/384535985.db2.gz JZIAIMDPJNHGMK-UWVGGRQHSA-N 0 0 231.299 2.177 50 0 BEAARN CC(C)CCNC(=O)c1cccc(N)c1 ZINC000019395275 384518076 /nfs/dbraw/zinc/51/80/76/384518076.db2.gz GVLBLVWVHCBNSB-UHFFFAOYSA-N 0 0 206.289 2.045 50 0 BEAARN O=C(N[C@@H]1CCCC(F)(F)C1)[C@H]1CC12CC2 ZINC000335065216 384522412 /nfs/dbraw/zinc/52/24/12/384522412.db2.gz VKUNXBTWEUZHHD-RKDXNWHRSA-N 0 0 229.270 2.481 50 0 BEAARN Cc1ccc(Br)c(CO)c1 ZINC000080052595 384528656 /nfs/dbraw/zinc/52/86/56/384528656.db2.gz OWPARZXOXYSXQB-UHFFFAOYSA-N 0 0 201.063 2.250 50 0 BEAARN Cc1cc(C)c(OCCN2CCOCC2)c(C)c1 ZINC000019638353 384531513 /nfs/dbraw/zinc/53/15/13/384531513.db2.gz BMCNSNITRUYHLG-UHFFFAOYSA-N 0 0 249.354 2.323 50 0 BEAARN O=Cc1ccccc1C(=O)c1ccco1 ZINC000019873001 384548414 /nfs/dbraw/zinc/54/84/14/384548414.db2.gz ZJTMVYUUJQISBJ-UHFFFAOYSA-N 0 0 200.193 2.323 50 0 BEAARN c1cn(Cc2noc(-c3ccsc3)n2)cn1 ZINC000095427797 384557455 /nfs/dbraw/zinc/55/74/55/384557455.db2.gz WMIIVUYOMYSVMU-UHFFFAOYSA-N 0 0 232.268 2.043 50 0 BEAARN CCc1cc(NCC(=O)NC2CC2)ccc1F ZINC000253417858 384538410 /nfs/dbraw/zinc/53/84/10/384538410.db2.gz PTGVEABUWMKFJX-UHFFFAOYSA-N 0 0 236.290 2.079 50 0 BEAARN Nc1ncnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000020153839 384585817 /nfs/dbraw/zinc/58/58/17/384585817.db2.gz KBTKYYMAFMYCNV-UHFFFAOYSA-N 0 0 245.673 2.027 50 0 BEAARN O=C1CC(=O)CC(c2ccc(F)cc2)C1 ZINC000100014339 384609030 /nfs/dbraw/zinc/60/90/30/384609030.db2.gz LBTLJACXBCUFEF-UHFFFAOYSA-N 0 0 206.216 2.231 50 0 BEAARN Nc1cccc(F)c1OCC(F)(F)F ZINC000124075444 384610320 /nfs/dbraw/zinc/61/03/20/384610320.db2.gz SXHURUGIWYJCRA-UHFFFAOYSA-N 0 0 209.142 2.349 50 0 BEAARN CC(C)Cn1c2ccccc2nc1NCCO ZINC000100114746 384617149 /nfs/dbraw/zinc/61/71/49/384617149.db2.gz KPIHRCJUUUOYGO-UHFFFAOYSA-N 0 0 233.315 2.097 50 0 BEAARN COC(=O)c1cccc2c(CCC(C)=O)c[nH]c21 ZINC000000491332 384623650 /nfs/dbraw/zinc/62/36/50/384623650.db2.gz NXLHEBOOJSDPTB-UHFFFAOYSA-N 0 0 245.278 2.476 50 0 biogenic BEAARN Cc1nnc2ccc(NC3CCCCC3)nn12 ZINC000020721766 384630859 /nfs/dbraw/zinc/63/08/59/384630859.db2.gz LITOZMKWDAYRBL-UHFFFAOYSA-N 0 0 231.303 2.177 50 0 BEAARN CCc1c(O)c2ccccc2n(CC)c1=O ZINC000100294419 384631881 /nfs/dbraw/zinc/63/18/81/384631881.db2.gz CCOQWQKTSCZAPD-UHFFFAOYSA-N 0 0 217.268 2.289 50 0 BEAARN FC(F)(F)C1CCN(Cc2ccno2)CC1 ZINC000072802167 384593905 /nfs/dbraw/zinc/59/39/05/384593905.db2.gz QNCRELYHTIIWTF-UHFFFAOYSA-N 0 0 234.221 2.449 50 0 BEAARN O=C1N[C@H](c2ccc(C(F)(F)F)cc2)CO1 ZINC000083965786 384664278 /nfs/dbraw/zinc/66/42/78/384664278.db2.gz WONDZQDQIYMEDF-QMMMGPOBSA-N 0 0 231.173 2.486 50 0 BEAARN COC(=O)Cc1cc(Br)ccc1C ZINC000140364686 384647582 /nfs/dbraw/zinc/64/75/82/384647582.db2.gz NYEYWFMQNOBQNA-UHFFFAOYSA-N 0 0 243.100 2.473 50 0 BEAARN Brc1ncc(-c2ccncc2)o1 ZINC000075842687 384648626 /nfs/dbraw/zinc/64/86/26/384648626.db2.gz UYHMTORKIWFNKE-UHFFFAOYSA-N 0 0 225.045 2.499 50 0 BEAARN Cn1ccnc1CC(=O)c1ccc(Cl)cc1 ZINC000086486067 384654883 /nfs/dbraw/zinc/65/48/83/384654883.db2.gz IZUJXVRZYDUZJT-UHFFFAOYSA-N 0 0 234.686 2.499 50 0 BEAARN Cc1cc(C(=O)Nc2nncs2)c(C)s1 ZINC000021214736 384655314 /nfs/dbraw/zinc/65/53/14/384655314.db2.gz VPPTYEYNDWJONV-UHFFFAOYSA-N 0 0 239.325 2.469 50 0 BEAARN CC(=O)c1scnc1Br ZINC000082379235 384675781 /nfs/dbraw/zinc/67/57/81/384675781.db2.gz CFQYIIOBFFFTLJ-UHFFFAOYSA-N 0 0 206.064 2.108 50 0 BEAARN C=C(c1ccc(Br)cn1)N(C)C ZINC000100994755 384660727 /nfs/dbraw/zinc/66/07/27/384660727.db2.gz VPEFVMHIGFXEJF-UHFFFAOYSA-N 0 0 227.105 2.376 50 0 BEAARN CCc1ccc(C(=O)NO[C@H]2CCCCO2)o1 ZINC000072059941 384679407 /nfs/dbraw/zinc/67/94/07/384679407.db2.gz JSEZIPBMLLTKHK-NSHDSACASA-N 0 0 239.271 2.030 50 0 BEAARN CC(=O)c1c(O)ccc2ccc(O)cc21 ZINC000003161482 384680268 /nfs/dbraw/zinc/68/02/68/384680268.db2.gz ZOYVGUWHHQKHID-UHFFFAOYSA-N 0 0 202.209 2.454 50 0 BEAARN [NH3+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000082452141 384682533 /nfs/dbraw/zinc/68/25/33/384682533.db2.gz RDXURUGZGUGFNH-UHFFFAOYSA-N 0 0 225.089 2.389 50 0 BEAARN Cc1ccc(NC(=O)CC(F)(F)F)cn1 ZINC000124866989 384682551 /nfs/dbraw/zinc/68/25/51/384682551.db2.gz ROXYIHPITQKXHG-UHFFFAOYSA-N 0 0 218.178 2.281 50 0 BEAARN CC(C)Cc1nnc(Br)s1 ZINC000082433773 384683112 /nfs/dbraw/zinc/68/31/12/384683112.db2.gz AAEFMTYTUYIGHL-UHFFFAOYSA-N 0 0 221.123 2.499 50 0 BEAARN CC[C@H]1C[N@H+](Cc2cccnc2)CCS1 ZINC000076071886 384693437 /nfs/dbraw/zinc/69/34/37/384693437.db2.gz FNMYTTKYEITSCI-LBPRGKRZSA-N 0 0 222.357 2.409 50 0 BEAARN C[C@H]1CCC[C@@H](C(=O)OCc2cnn(C)c2)C1 ZINC000076871832 384699952 /nfs/dbraw/zinc/69/99/52/384699952.db2.gz HSFNQUKCFDYQPY-CMPLNLGQSA-N 0 0 236.315 2.290 50 0 BEAARN c1cn2cc(-c3cccnc3)nc2s1 ZINC000051951701 384703457 /nfs/dbraw/zinc/70/34/57/384703457.db2.gz MRFYTTHVEHXHTL-UHFFFAOYSA-N 0 0 201.254 2.458 50 0 BEAARN O=C([O-])CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000021951548 384708536 /nfs/dbraw/zinc/70/85/36/384708536.db2.gz SPAAQZCDJCPMDE-UHFFFAOYSA-N 0 0 245.681 2.434 50 0 BEAARN CCN(CC)c1ccc(C(=O)N[C@@H]2C[C@@H]2C)cn1 ZINC000072094590 384727608 /nfs/dbraw/zinc/72/76/08/384727608.db2.gz WBZZJFMIJREPNF-CMPLNLGQSA-N 0 0 247.342 2.066 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)N2CCCCCC2)c1 ZINC000007754236 384730471 /nfs/dbraw/zinc/73/04/71/384730471.db2.gz HQBRXRYFTHTRPD-UHFFFAOYSA-N 0 0 234.299 2.234 50 0 BEAARN COC(=O)c1cccc(Cc2cnc(N)s2)c1 ZINC000022151206 384739176 /nfs/dbraw/zinc/73/91/76/384739176.db2.gz TWGISNRGIQWJDB-UHFFFAOYSA-N 0 0 248.307 2.103 50 0 BEAARN Cc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)s1 ZINC000082717661 384744586 /nfs/dbraw/zinc/74/45/86/384744586.db2.gz DNAVDVSWKTXDCI-UHFFFAOYSA-N 0 0 227.329 2.352 50 0 BEAARN CC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000042026307 384746607 /nfs/dbraw/zinc/74/66/07/384746607.db2.gz KABXUVJKLGJJGA-CYBMUJFWSA-N 0 0 203.285 2.240 50 0 BEAARN CC(C)[C@H](CCO)NC(=O)CC1CCCCC1 ZINC000084410222 384759117 /nfs/dbraw/zinc/75/91/17/384759117.db2.gz HXNYYTFXUJHQOD-ZDUSSCGKSA-N 0 0 241.375 2.480 50 0 BEAARN COC[C@@H](C)Nc1cncc(Br)c1 ZINC000084640436 384762906 /nfs/dbraw/zinc/76/29/06/384762906.db2.gz IDKPZYGOZMWVBE-SSDOTTSWSA-N 0 0 245.120 2.291 50 0 BEAARN CC[C@H](CCO)NC(=O)[C@H](CC)c1ccccc1 ZINC000084733328 384763785 /nfs/dbraw/zinc/76/37/85/384763785.db2.gz QPVWTYMPZPFXNL-ZIAGYGMSSA-N 0 0 249.354 2.457 50 0 BEAARN CCC[C@H](C)CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000084740126 384764135 /nfs/dbraw/zinc/76/41/35/384764135.db2.gz KOEZMIJNCLOAJQ-TUAOUCFPSA-N 0 0 227.348 2.496 50 0 BEAARN C[C@@H](CCO)CNC(=O)c1cccc(Cl)c1 ZINC000084637338 384764336 /nfs/dbraw/zinc/76/43/36/384764336.db2.gz NVGQALCBZQMQJC-VIFPVBQESA-N 0 0 241.718 2.088 50 0 BEAARN COc1ccccc1NC(=O)NOCC(C)C ZINC000084544445 384764836 /nfs/dbraw/zinc/76/48/36/384764836.db2.gz ISSBIQKPBRXUPU-UHFFFAOYSA-N 0 0 238.287 2.404 50 0 BEAARN COC[C@@H](C)Nc1cc(F)ccc1F ZINC000053172106 384766734 /nfs/dbraw/zinc/76/67/34/384766734.db2.gz VSBGTXMYUUYIHU-SSDOTTSWSA-N 0 0 201.216 2.412 50 0 BEAARN C[C@@H]([NH2+]Cc1ccccc1F)[C@@H](C)C(=O)[O-] ZINC000086297928 384772784 /nfs/dbraw/zinc/77/27/84/384772784.db2.gz ONLCLSFGQPCXLO-RKDXNWHRSA-N 0 0 225.263 2.025 50 0 BEAARN COC(=O)c1c(C)ccc2c1NCCC2 ZINC000095929770 384830978 /nfs/dbraw/zinc/83/09/78/384830978.db2.gz YLQVNDCOKDIINR-UHFFFAOYSA-N 0 0 205.257 2.140 50 0 BEAARN Clc1ccc(-c2cnc3n2CCNC3)cc1 ZINC000084039657 384833179 /nfs/dbraw/zinc/83/31/79/384833179.db2.gz HSEPXCGSFZTBDU-UHFFFAOYSA-N 0 0 233.702 2.307 50 0 BEAARN FC[C@H]1CCCN1c1ccnc(C2CC2)n1 ZINC000292667453 384781126 /nfs/dbraw/zinc/78/11/26/384781126.db2.gz CWYXXRXIUWJRHZ-SNVBAGLBSA-N 0 0 221.279 2.292 50 0 BEAARN Cc1cc(C)cc(C(=O)NC[C@H]2CCCO2)c1 ZINC000000496692 384782325 /nfs/dbraw/zinc/78/23/25/384782325.db2.gz MGNQSUMUPWDDEG-CYBMUJFWSA-N 0 0 233.311 2.212 50 0 BEAARN CCC[C@H](C(=O)Nc1nc[nH]n1)c1ccccc1 ZINC000023143430 384790541 /nfs/dbraw/zinc/79/05/41/384790541.db2.gz FRIAFDDZWMXNLU-NSHDSACASA-N 0 0 244.298 2.327 50 0 BEAARN COC(=O)[C@@H]1CCCN1Cc1ccccc1C ZINC000055142205 384869951 /nfs/dbraw/zinc/86/99/51/384869951.db2.gz DSXOYFMVIQNJJQ-ZDUSSCGKSA-N 0 0 233.311 2.132 50 0 BEAARN [NH3+]C[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000026895686 384885748 /nfs/dbraw/zinc/88/57/48/384885748.db2.gz OWUCQTYNFQLYOY-ZETCQYMHSA-N 0 0 248.109 2.195 50 0 BEAARN COC(=O)/C=C\C(=O)Nc1ccccc1C(C)C ZINC000033312486 384887257 /nfs/dbraw/zinc/88/72/57/384887257.db2.gz WCMUUUVUFONBEZ-HJWRWDBZSA-N 0 0 247.294 2.478 50 0 BEAARN CSCC[C@@H](N)c1nc(-c2ccco2)no1 ZINC000054444961 384839223 /nfs/dbraw/zinc/83/92/23/384839223.db2.gz RZHBWVJCJXDDOZ-SSDOTTSWSA-N 0 0 239.300 2.083 50 0 BEAARN FC(F)(F)c1ccc(-c2cc[nH]n2)cn1 ZINC000025336469 384845422 /nfs/dbraw/zinc/84/54/22/384845422.db2.gz KJRKHVPNKQRJPQ-UHFFFAOYSA-N 0 0 213.162 2.491 50 0 BEAARN CSCCC(=O)Nc1nc(C)cs1 ZINC000025404728 384848159 /nfs/dbraw/zinc/84/81/59/384848159.db2.gz KTRWYHOFIIVWAU-UHFFFAOYSA-N 0 0 216.331 2.143 50 0 BEAARN C[C@H]1CCC[C@@H](Nc2ncnc3c2cnn3C)C1 ZINC000025571758 384853971 /nfs/dbraw/zinc/85/39/71/384853971.db2.gz DRMYJUKLZOQQMY-VHSXEESVSA-N 0 0 245.330 2.354 50 0 BEAARN O=S(=O)(NCC1CC1)c1ccc(Cl)cc1 ZINC000025671953 384858159 /nfs/dbraw/zinc/85/81/59/384858159.db2.gz IHJPUIKWWDBLEY-UHFFFAOYSA-N 0 0 245.731 2.028 50 0 BEAARN CCOc1ccc(-c2cccc(N)c2)nn1 ZINC000061966075 384864046 /nfs/dbraw/zinc/86/40/46/384864046.db2.gz VJZZQFGYRBEPRL-UHFFFAOYSA-N 0 0 215.256 2.125 50 0 BEAARN CS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000002511098 384951456 /nfs/dbraw/zinc/95/14/56/384951456.db2.gz JKBCENKBTQPCCH-UHFFFAOYSA-N 0 0 224.203 2.109 50 0 BEAARN COC(=O)[C@@H](N)Cc1ccc(Cl)cc1Cl ZINC000057536691 384952864 /nfs/dbraw/zinc/95/28/64/384952864.db2.gz VSZLVRSHQJSDSG-VIFPVBQESA-N 0 0 248.109 2.036 50 0 BEAARN O=C1NCC[C@@H]1c1cccc(Br)c1 ZINC000057533296 384953908 /nfs/dbraw/zinc/95/39/08/384953908.db2.gz CLYILMPDEBXAEY-SECBINFHSA-N 0 0 240.100 2.053 50 0 BEAARN Clc1ccccc1-c1ccnc2ncnn21 ZINC000057530915 384954344 /nfs/dbraw/zinc/95/43/44/384954344.db2.gz MYMNDLNQZJHOQW-UHFFFAOYSA-N 0 0 230.658 2.445 50 0 BEAARN CC(=O)c1sc(-n2cccc2)nc1C ZINC000149934691 384955260 /nfs/dbraw/zinc/95/52/60/384955260.db2.gz MVARLJMFRDOZSU-UHFFFAOYSA-N 0 0 206.270 2.445 50 0 BEAARN CC(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000095351076 384900154 /nfs/dbraw/zinc/90/01/54/384900154.db2.gz KLUIWCDXHSQAMT-UHFFFAOYSA-N 0 0 221.304 2.491 50 0 BEAARN O=c1nc[nH]c2scc(-c3ccncc3)c21 ZINC000084846930 384903743 /nfs/dbraw/zinc/90/37/43/384903743.db2.gz DUWHOSMEYMIDKJ-UHFFFAOYSA-N 0 0 229.264 2.047 50 0 BEAARN CCS(=O)(=O)c1ccc(F)cc1Cl ZINC000085223816 384927870 /nfs/dbraw/zinc/92/78/70/384927870.db2.gz HIFDKQFTMWBLBZ-UHFFFAOYSA-N 0 0 222.668 2.273 50 0 BEAARN COC(=O)Cc1ccc(Br)cc1F ZINC000085210739 384928139 /nfs/dbraw/zinc/92/81/39/384928139.db2.gz QBGQCRUYARHQGO-UHFFFAOYSA-N 0 0 247.063 2.304 50 0 BEAARN Cc1nc(Cl)cnc1Br ZINC000085210606 384929083 /nfs/dbraw/zinc/92/90/83/384929083.db2.gz DDXSLISYCFTQCY-UHFFFAOYSA-N 0 0 207.458 2.201 50 0 BEAARN CCc1cc(=O)[nH]c(-c2ccnc(Cl)c2)n1 ZINC000057218690 384930972 /nfs/dbraw/zinc/93/09/72/384930972.db2.gz SKRMXIZHRLRCHG-UHFFFAOYSA-N 0 0 235.674 2.048 50 0 BEAARN COC(=O)c1scc(-c2ccccn2)c1N ZINC000085346591 384938617 /nfs/dbraw/zinc/93/86/17/384938617.db2.gz DBJFGECPIMWXQK-UHFFFAOYSA-N 0 0 234.280 2.179 50 0 BEAARN CC(O)=CC(=O)Cc1nc2ccccc2s1 ZINC000085389107 384943235 /nfs/dbraw/zinc/94/32/35/384943235.db2.gz BLBPASCAJYMJNZ-UHFFFAOYSA-N 0 0 233.292 2.387 50 0 BEAARN CC(C)CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000028270837 384943710 /nfs/dbraw/zinc/94/37/10/384943710.db2.gz UYHPXNGQJVMVTD-UHFFFAOYSA-N 0 0 247.298 2.446 50 0 BEAARN Cc1c[nH]c(=S)c(Br)c1 ZINC000086032233 384981233 /nfs/dbraw/zinc/98/12/33/384981233.db2.gz QWWOOQUQMGJUTP-UHFFFAOYSA-N 0 0 204.092 2.441 50 0 BEAARN Cc1noc(CN(Cc2ccco2)C2CC2)n1 ZINC000058213992 384987611 /nfs/dbraw/zinc/98/76/11/384987611.db2.gz FEPYNVUHOLGTMM-UHFFFAOYSA-N 0 0 233.271 2.136 50 0 BEAARN CN(Cc1ccccc1Cl)[C@@H]1CCOC1=O ZINC000058203071 384989713 /nfs/dbraw/zinc/98/97/13/384989713.db2.gz RLRBFGDOIBLOEV-LLVKDONJSA-N 0 0 239.702 2.087 50 0 BEAARN CC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000072283669 384990534 /nfs/dbraw/zinc/99/05/34/384990534.db2.gz JKORQXZZEVRKKJ-UHFFFAOYSA-N 0 0 246.310 2.156 50 0 BEAARN Cc1csc(NC(=O)[C@H]2CC2(F)F)n1 ZINC000294535810 384990442 /nfs/dbraw/zinc/99/04/42/384990442.db2.gz RFTDTWORXHLKST-RXMQYKEDSA-N 0 0 218.228 2.045 50 0 BEAARN CSCC(=O)Nc1cc(F)ccc1F ZINC000058251660 384993093 /nfs/dbraw/zinc/99/30/93/384993093.db2.gz RSODCCLLJZZLNF-UHFFFAOYSA-N 0 0 217.240 2.266 50 0 BEAARN CO[C@@H](C)CC(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000058330924 384994472 /nfs/dbraw/zinc/99/44/72/384994472.db2.gz HNBGIPHKLUNZIG-QMMMGPOBSA-N 0 0 239.319 2.071 50 0 BEAARN CC(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000058314444 384995911 /nfs/dbraw/zinc/99/59/11/384995911.db2.gz ZTWBOEFHVMJFIG-SNVBAGLBSA-N 0 0 243.310 2.378 50 0 BEAARN CC(C)c1nnc(NC(=O)CCc2ccco2)[nH]1 ZINC000058358202 384999598 /nfs/dbraw/zinc/99/95/98/384999598.db2.gz NQDRHPACVMILER-UHFFFAOYSA-N 0 0 248.286 2.092 50 0 BEAARN Cc1noc(CCNc2nc3ccccc3o2)n1 ZINC000058427184 385003547 /nfs/dbraw/zinc/00/35/47/385003547.db2.gz RXYFVZKCZORWQP-UHFFFAOYSA-N 0 0 244.254 2.174 50 0 BEAARN C[C@H](NC(=O)[C@H](C)n1cccn1)c1cccs1 ZINC000028428754 384963194 /nfs/dbraw/zinc/96/31/94/384963194.db2.gz BVERBSAYYGAHSN-UWVGGRQHSA-N 0 0 249.339 2.383 50 0 BEAARN FC1(F)CCC[C@@H]1CNc1ncccn1 ZINC000336232662 385055819 /nfs/dbraw/zinc/05/58/19/385055819.db2.gz DUDQVVSXVJJJNM-MRVPVSSYSA-N 0 0 213.231 2.324 50 0 BEAARN C[C@H](C(=O)N(C)C)n1ccc(-c2ccccc2)n1 ZINC000060203312 385072026 /nfs/dbraw/zinc/07/20/26/385072026.db2.gz VRFGLULHXXYUTA-LLVKDONJSA-N 0 0 243.310 2.199 50 0 BEAARN CC/C=C\CCn1cc(NC(C)=O)cn1 ZINC000516177435 385076561 /nfs/dbraw/zinc/07/65/61/385076561.db2.gz NGWSHMAIIHFOAZ-PLNGDYQASA-N 0 0 207.277 2.198 50 0 BEAARN Cc1ccc(C)c(/C=C2/SC(=N)NC2=O)c1 ZINC000005578267 385038852 /nfs/dbraw/zinc/03/88/52/385038852.db2.gz BOCZLMBEMRIVSW-UXBLZVDNSA-N 0 0 232.308 2.442 50 0 BEAARN Nc1ccc2[nH]nc(-c3ccncc3)c2c1 ZINC000031991971 385116758 /nfs/dbraw/zinc/11/67/58/385116758.db2.gz QBTFQADXLLIEFR-UHFFFAOYSA-N 0 0 210.240 2.207 50 0 BEAARN CC1(C)C[C@H]1C(=O)NCCc1cccs1 ZINC000151620833 385120689 /nfs/dbraw/zinc/12/06/89/385120689.db2.gz CGNQKZJGTMNYOG-JTQLQIEISA-N 0 0 223.341 2.453 50 0 BEAARN CN(C)c1cc(C(C)(C)C)nc(Cl)n1 ZINC000032234039 385137406 /nfs/dbraw/zinc/13/74/06/385137406.db2.gz DTIXERBFPRGSBX-UHFFFAOYSA-N 0 0 213.712 2.494 50 0 BEAARN CN(Cc1cccc(F)c1)C(=O)NC1CC1 ZINC000032843664 385186260 /nfs/dbraw/zinc/18/62/60/385186260.db2.gz CATJDDOOCBQTNR-UHFFFAOYSA-N 0 0 222.263 2.130 50 0 BEAARN O=C([O-])C[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000032918862 385189546 /nfs/dbraw/zinc/18/95/46/385189546.db2.gz RFTKGUMQAKDOFH-LBPRGKRZSA-N 0 0 234.299 2.083 50 0 BEAARN Nc1nc(Cl)c(Cl)c(N)c1Cl ZINC000062152186 385163419 /nfs/dbraw/zinc/16/34/19/385163419.db2.gz FGIUJKXQIISHOO-UHFFFAOYSA-N 0 0 212.467 2.206 50 0 BEAARN Cc1cnn(CCOc2ccccc2F)c1 ZINC000096428957 385166400 /nfs/dbraw/zinc/16/64/00/385166400.db2.gz ZXZBJFWHFASDDQ-UHFFFAOYSA-N 0 0 220.247 2.410 50 0 BEAARN O=C(c1ccccn1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000089878919 385167110 /nfs/dbraw/zinc/16/71/10/385167110.db2.gz PWPVVAVHNDUVIK-RYUDHWBXSA-N 0 0 230.311 2.344 50 0 BEAARN O=C(OCCOc1cccnc1)c1ccsc1 ZINC000096442238 385167654 /nfs/dbraw/zinc/16/76/54/385167654.db2.gz HLLNRPFMHURMNU-UHFFFAOYSA-N 0 0 249.291 2.379 50 0 BEAARN Cc1ccnc(N(C)Cc2cc(C3CC3)n[nH]2)n1 ZINC000032511701 385170341 /nfs/dbraw/zinc/17/03/41/385170341.db2.gz HAURZCLDWYBMPP-UHFFFAOYSA-N 0 0 243.314 2.022 50 0 BEAARN Cc1nc(COC(=O)[C@H]2C[C@@H]2C)sc1C ZINC000096442725 385171131 /nfs/dbraw/zinc/17/11/31/385171131.db2.gz QJBXIPPMUWFIFT-RCOVLWMOSA-N 0 0 225.313 2.459 50 0 BEAARN Cc1noc(C)c1C(=O)OCC1CCC1 ZINC000096442563 385171320 /nfs/dbraw/zinc/17/13/20/385171320.db2.gz BOVYRKSRSURKEQ-UHFFFAOYSA-N 0 0 209.245 2.248 50 0 BEAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000021787332 385172526 /nfs/dbraw/zinc/17/25/26/385172526.db2.gz GZSLMVKWOQNHHM-GFCCVEGCSA-N 0 0 229.283 2.246 50 0 BEAARN CC(C)(C)CC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000096450824 385173137 /nfs/dbraw/zinc/17/31/37/385173137.db2.gz MNWSFYMSUJVIJD-SMDDNHRTSA-N 0 0 241.375 2.480 50 0 BEAARN CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccoc1 ZINC000096454452 385176152 /nfs/dbraw/zinc/17/61/52/385176152.db2.gz OHUVNAZTIWFMJE-JQWIXIFHSA-N 0 0 237.299 2.071 50 0 BEAARN Cc1cc(-c2nc(CC(C)C)no2)no1 ZINC000109561550 385177768 /nfs/dbraw/zinc/17/77/68/385177768.db2.gz FKNYECNAGPBOHF-UHFFFAOYSA-N 0 0 207.233 2.232 50 0 BEAARN CC(C)(C)c1csc(Cn2cncn2)n1 ZINC000089725255 385212508 /nfs/dbraw/zinc/21/25/08/385212508.db2.gz YOWOCZQWNXBYDW-UHFFFAOYSA-N 0 0 222.317 2.080 50 0 BEAARN C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000000474479 385213204 /nfs/dbraw/zinc/21/32/04/385213204.db2.gz IMKSUXZGXPOISN-JQWIXIFHSA-N 0 0 219.284 2.043 50 0 BEAARN CC[C@H](NCC(=O)OC)c1ccc(F)cc1F ZINC000096491950 385232194 /nfs/dbraw/zinc/23/21/94/385232194.db2.gz STQURMRUTSWTMB-NSHDSACASA-N 0 0 243.253 2.179 50 0 BEAARN Cc1ccc(OCCOCC(F)(F)F)cn1 ZINC000096501077 385237257 /nfs/dbraw/zinc/23/72/57/385237257.db2.gz JOPAYQPLWXDZCH-UHFFFAOYSA-N 0 0 235.205 2.348 50 0 BEAARN O=C1Cc2cc(Br)cc(F)c2N1 ZINC000064033785 385243338 /nfs/dbraw/zinc/24/33/38/385243338.db2.gz WWYUGKFXALMFOC-UHFFFAOYSA-N 0 0 230.036 2.083 50 0 BEAARN Nc1nc2cc(Br)cnc2s1 ZINC000064033550 385243646 /nfs/dbraw/zinc/24/36/46/385243646.db2.gz WZQLBSAXHYDIEQ-UHFFFAOYSA-N 0 0 230.090 2.036 50 0 BEAARN C[C@H]1S[C@@H](c2ccc(F)cc2)NC1=O ZINC000000128951 385246127 /nfs/dbraw/zinc/24/61/27/385246127.db2.gz GIWCGQHJMAJOSI-LDWIPMOCSA-N 0 0 211.261 2.076 50 0 BEAARN CCCCC(=O)Nc1ccc(-n2cnnc2)cc1 ZINC000065385246 385304264 /nfs/dbraw/zinc/30/42/64/385304264.db2.gz GTQVQBCYJPRMBH-UHFFFAOYSA-N 0 0 244.298 2.396 50 0 BEAARN CCCCc1n[nH]c(=O)n1-c1cccc(C)c1 ZINC000065435081 385313071 /nfs/dbraw/zinc/31/30/71/385313071.db2.gz VJRCNBKHYGIDBZ-UHFFFAOYSA-N 0 0 231.299 2.212 50 0 BEAARN Cc1nnc(NC(=O)c2ccccc2)s1 ZINC000009045027 385322760 /nfs/dbraw/zinc/32/27/60/385322760.db2.gz KGDDBWOFFAWDJA-UHFFFAOYSA-N 0 0 219.269 2.099 50 0 BEAARN CC(C)[C@@H]1C[C@@](C)(c2csc(N)n2)OC1=O ZINC000000181087 385277997 /nfs/dbraw/zinc/27/79/97/385277997.db2.gz HKFLYRJFMVGMAU-CPCISQLKSA-N 0 0 240.328 2.160 50 0 biogenic BEAARN CC1=NN(C(=O)C(C)C)[C@](O)(c2ccccc2)C1 ZINC000000108453 385278497 /nfs/dbraw/zinc/27/84/97/385278497.db2.gz UFPTWLYHJAIQLX-CQSZACIVSA-N 0 0 246.310 2.096 50 0 BEAARN CC(=O)NC1c2cc(C)ccc2NC1=O ZINC000008047427 385286003 /nfs/dbraw/zinc/28/60/03/385286003.db2.gz MMIVFNNQGSQCIO-UHFFFAOYSA-N 0 0 204.229 2.140 50 0 BEAARN Cc1ccc(F)cc1NC(=O)C1(C)COC1 ZINC000272774264 385331890 /nfs/dbraw/zinc/33/18/90/385331890.db2.gz VVTZMFPBBJKUEV-UHFFFAOYSA-N 0 0 223.247 2.109 50 0 BEAARN CCC[C@@H](O)CNC(=O)C1(CC)CCCC1 ZINC000131490769 385338646 /nfs/dbraw/zinc/33/86/46/385338646.db2.gz LCVZBJJXQHJWLF-LLVKDONJSA-N 0 0 227.348 2.234 50 0 BEAARN c1ccc(Cc2noc([C@H]3CCOC3)n2)cc1 ZINC000098010023 385356114 /nfs/dbraw/zinc/35/61/14/385356114.db2.gz GZLUEWYNFTVZHG-NSHDSACASA-N 0 0 230.267 2.164 50 0 BEAARN CN1CCN(C(=O)C2CCC2)c2ccc(F)cc21 ZINC000098014053 385357256 /nfs/dbraw/zinc/35/72/56/385357256.db2.gz STOJSKYGZVUKMH-UHFFFAOYSA-N 0 0 248.301 2.409 50 0 BEAARN Cc1noc(C)c1Cn1cc(-n2cccc2)cn1 ZINC000098016368 385360427 /nfs/dbraw/zinc/36/04/27/385360427.db2.gz PLLLCFDNLCHXAD-UHFFFAOYSA-N 0 0 242.282 2.327 50 0 BEAARN C(=C/c1cccc2c1OCCO2)\c1ccncn1 ZINC000179442308 385374386 /nfs/dbraw/zinc/37/43/86/385374386.db2.gz OLGWWCGZVJSKSN-SNAWJCMRSA-N 0 0 240.262 2.418 50 0 BEAARN CC(=O)Nc1nc2c(c(C)n1)[C@H]1[C@@H](C2)C1(C)C ZINC000000519374 385412103 /nfs/dbraw/zinc/41/21/03/385412103.db2.gz BESMNXKBNDKJBW-LDYMZIIASA-N 0 0 231.299 2.039 50 0 biogenic BEAARN FC1(F)CN(c2cccc(Br)n2)C1 ZINC000169725494 385418642 /nfs/dbraw/zinc/41/86/42/385418642.db2.gz FSNHHQGTBYRWTK-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN FC1(F)CN(c2ccnc(Br)c2)C1 ZINC000169725566 385418776 /nfs/dbraw/zinc/41/87/76/385418776.db2.gz KZAMOVDYDYMNCP-UHFFFAOYSA-N 0 0 249.058 2.299 50 0 BEAARN COc1cc(Br)c(OC)c(C=O)c1 ZINC000000522670 385443539 /nfs/dbraw/zinc/44/35/39/385443539.db2.gz CNIRVMKPXOOBEV-UHFFFAOYSA-N 0 0 245.072 2.279 50 0 BEAARN CC(C)c1nc(CN2CCO[C@@H](C)C2)cs1 ZINC000051160482 385430703 /nfs/dbraw/zinc/43/07/03/385430703.db2.gz RQYFAQXXTIAADF-JTQLQIEISA-N 0 0 240.372 2.487 50 0 BEAARN CC(C)c1nc(CN2CCO[C@H](C)C2)cs1 ZINC000051160480 385431220 /nfs/dbraw/zinc/43/12/20/385431220.db2.gz RQYFAQXXTIAADF-SNVBAGLBSA-N 0 0 240.372 2.487 50 0 BEAARN CCOc1cccc2[nH]cc(CC(=O)OC)c21 ZINC000188631917 385533542 /nfs/dbraw/zinc/53/35/42/385533542.db2.gz MCFIANHZKQPDIQ-UHFFFAOYSA-N 0 0 233.267 2.282 50 0 BEAARN CCCCC(=O)N(C)CC1CCOCC1 ZINC000074915249 385523160 /nfs/dbraw/zinc/52/31/60/385523160.db2.gz QSULMIXWNJNDJE-UHFFFAOYSA-N 0 0 213.321 2.062 50 0 BEAARN CCc1cccc(NC(=O)C2=COCCO2)c1 ZINC000005465582 385596330 /nfs/dbraw/zinc/59/63/30/385596330.db2.gz BRUHHRIUJAGNPB-UHFFFAOYSA-N 0 0 233.267 2.076 50 0 BEAARN Cc1ccn2cc(-c3ccc(N)cc3)nc2n1 ZINC000206580078 385663130 /nfs/dbraw/zinc/66/31/30/385663130.db2.gz KLQCXQKNKXHJQF-UHFFFAOYSA-N 0 0 224.267 2.287 50 0 BEAARN Cc1ccc(C)c(C(=O)N(C)C[C@H]2CCOC2)c1 ZINC000177241714 385673174 /nfs/dbraw/zinc/67/31/74/385673174.db2.gz XMCQOKQMFSWKNG-CYBMUJFWSA-N 0 0 247.338 2.412 50 0 BEAARN Cc1cnn(CC2CC2)c1NC(=O)[C@H]1C[C@H]1C ZINC000069137061 385681073 /nfs/dbraw/zinc/68/10/73/385681073.db2.gz BHPRHTUNUBTSRF-KCJUWKMLSA-N 0 0 233.315 2.196 50 0 BEAARN Cc1nsc(N[C@@H]2CC[C@@H](F)C2)n1 ZINC000307464956 385691440 /nfs/dbraw/zinc/69/14/40/385691440.db2.gz CTNBWJLKQDAINK-RNFRBKRXSA-N 0 0 201.270 2.149 50 0 BEAARN Cc1n[nH]c(C)c1CNc1cncc(F)c1 ZINC000281729509 385696784 /nfs/dbraw/zinc/69/67/84/385696784.db2.gz CRQIQBRAIWMTME-UHFFFAOYSA-N 0 0 220.251 2.173 50 0 BEAARN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000001055871 385728520 /nfs/dbraw/zinc/72/85/20/385728520.db2.gz ZKNSBSDCIZSLCO-ONGXEEELSA-N 0 0 239.340 2.354 50 0 BEAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC1 ZINC000051315798 385748838 /nfs/dbraw/zinc/74/88/38/385748838.db2.gz CIDGMGJQDQIEPW-UHFFFAOYSA-N 0 0 247.323 2.374 50 0 BEAARN Cc1ccc([C@H](C)NC(=O)c2cnc(C)cn2)o1 ZINC000039975807 385772308 /nfs/dbraw/zinc/77/23/08/385772308.db2.gz BWCRMCRJNFPOMD-JTQLQIEISA-N 0 0 245.282 2.177 50 0 BEAARN COC(=O)C[C@H](C)c1c(Cl)ncnc1Cl ZINC000116800236 385801552 /nfs/dbraw/zinc/80/15/52/385801552.db2.gz BKTSPYPORGPMQE-YFKPBYRVSA-N 0 0 249.097 2.450 50 0 BEAARN O=C(Cc1ccncc1)Nc1cc(F)ccc1O ZINC000182162225 385805021 /nfs/dbraw/zinc/80/50/21/385805021.db2.gz BEJJSYGILQAWTM-UHFFFAOYSA-N 0 0 246.241 2.108 50 0 BEAARN Cc1nnc(CN2CCn3cccc3[C@H]2C)s1 ZINC000271452040 385830737 /nfs/dbraw/zinc/83/07/37/385830737.db2.gz RXHKWKXRBWQWCE-SECBINFHSA-N 0 0 248.355 2.225 50 0 BEAARN O=C1Nc2ccc(SC(F)(F)F)cc2C1=O ZINC000216074518 385858205 /nfs/dbraw/zinc/85/82/05/385858205.db2.gz IWYVFRLMRWDBPI-UHFFFAOYSA-N 0 0 247.197 2.433 50 0 BEAARN COC(C)(C)C(=O)Nc1cccc(C)c1F ZINC000271943861 385863194 /nfs/dbraw/zinc/86/31/94/385863194.db2.gz XAEHVFUJMRBICE-UHFFFAOYSA-N 0 0 225.263 2.498 50 0 BEAARN CC(C)(C)OC(=O)c1ccc(O)c(C=O)c1 ZINC000095626832 385871694 /nfs/dbraw/zinc/87/16/94/385871694.db2.gz LBSSNJFKFJEHIA-UHFFFAOYSA-N 0 0 222.240 2.160 50 0 BEAARN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000262677904 385872608 /nfs/dbraw/zinc/87/26/08/385872608.db2.gz UULAQUWBKLGTQA-DMDPSCGWSA-N 0 0 233.311 2.338 50 0 BEAARN CN(Cc1cncs1)Cc1ccncc1 ZINC000183736879 385878548 /nfs/dbraw/zinc/87/85/48/385878548.db2.gz GSRHDZQAPPICAV-UHFFFAOYSA-N 0 0 219.313 2.170 50 0 BEAARN Cn1cc(OC[C@@H]2CCCC2(F)F)cn1 ZINC000334569214 386016790 /nfs/dbraw/zinc/01/67/90/386016790.db2.gz GCJOFLKEUFCQSX-QMMMGPOBSA-N 0 0 216.231 2.234 50 0 BEAARN CSCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000033028707 386017679 /nfs/dbraw/zinc/01/76/79/386017679.db2.gz WEJVIVQDRMLGCH-IUCAKERBSA-N 0 0 201.335 2.044 50 0 BEAARN O=C(/C=C\c1nc2ccccc2o1)N1CCC1 ZINC000222027742 386033311 /nfs/dbraw/zinc/03/33/11/386033311.db2.gz LBSRDTPJBLNYGV-SREVYHEPSA-N 0 0 228.251 2.073 50 0 BEAARN O=C(/C=C\c1ccccc1)NCc1ccccn1 ZINC000033285487 386033351 /nfs/dbraw/zinc/03/33/51/386033351.db2.gz ALUSNWUJBBQZDH-KTKRTIGZSA-N 0 0 238.290 2.411 50 0 BEAARN C/C=C\CCNC(=O)CC1(O)CCCCC1 ZINC000222081162 386033603 /nfs/dbraw/zinc/03/36/03/386033603.db2.gz REWGOIQTCAXDQQ-IHWYPQMZSA-N 0 0 225.332 2.154 50 0 BEAARN Cc1cc(=O)[nH]c(C=Cc2ccnn2C(C)C)n1 ZINC000287177892 386099876 /nfs/dbraw/zinc/09/98/76/386099876.db2.gz JZZQXAWXKBYDQQ-SNAWJCMRSA-N 0 0 244.298 2.438 50 0 BEAARN CO/C=C(/Oc1ccccc1C)C(=O)OC ZINC000000366708 386144356 /nfs/dbraw/zinc/14/43/56/386144356.db2.gz DDILYMIVQHECQR-DHZHZOJOSA-N 0 0 222.240 2.035 50 0 BEAARN Cc1cc(C(N)=O)cc(Cl)c1Cl ZINC000263624003 386157382 /nfs/dbraw/zinc/15/73/82/386157382.db2.gz MNCSONARRRNYRT-UHFFFAOYSA-N 0 0 204.056 2.401 50 0 BEAARN Cc1ccc2oc(C(=O)c3cnn(C)c3)cc2n1 ZINC000086507388 386162208 /nfs/dbraw/zinc/16/22/08/386162208.db2.gz PQIXWGSFCOTMSS-UHFFFAOYSA-N 0 0 241.250 2.101 50 0 BEAARN Cn1cncc1Cc1nc(-c2ccccc2)no1 ZINC000225404495 386190452 /nfs/dbraw/zinc/19/04/52/386190452.db2.gz RRBPLRDDJLCDAY-UHFFFAOYSA-N 0 0 240.266 2.061 50 0 BEAARN COC(=O)c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1=O ZINC000038213063 386128085 /nfs/dbraw/zinc/12/80/85/386128085.db2.gz PQQBYYODTLQHRT-WDEREUQCSA-N 0 0 244.290 2.167 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2ccncc2)o1 ZINC000023305496 386142600 /nfs/dbraw/zinc/14/26/00/386142600.db2.gz RCPDFSXBYKFRBF-SNVBAGLBSA-N 0 0 230.267 2.474 50 0 BEAARN C/C(=C\C(=O)OCCCCCO)C1CC1 ZINC000225665667 386211014 /nfs/dbraw/zinc/21/10/14/386211014.db2.gz XJOWOOCRUXTACD-MDZDMXLPSA-N 0 0 212.289 2.049 50 0 BEAARN C[C@]1(CO)CCC[C@@H]1Nc1ccccn1 ZINC000098013795 386215318 /nfs/dbraw/zinc/21/53/18/386215318.db2.gz DOBSILVWMKGTTF-CMPLNLGQSA-N 0 0 206.289 2.045 50 0 BEAARN Cc1nnsc1Sc1ccccn1 ZINC000001385545 386230182 /nfs/dbraw/zinc/23/01/82/386230182.db2.gz HDDGGIGDYXLRNJ-UHFFFAOYSA-N 0 0 209.299 2.393 50 0 BEAARN CC(C)C[C@H](C)OCCC(=O)Nc1cn[nH]c1 ZINC000087103374 386238229 /nfs/dbraw/zinc/23/82/29/386238229.db2.gz OUMIPTQLIHXVAF-JTQLQIEISA-N 0 0 239.319 2.190 50 0 BEAARN CC[C@H](O)COc1cccc(-c2noc(C)n2)c1 ZINC000225418554 386192975 /nfs/dbraw/zinc/19/29/75/386192975.db2.gz CFJGDKYHFSMDFS-NSHDSACASA-N 0 0 248.282 2.195 50 0 BEAARN CCc1ccc2nc(-c3ccc[nH]3)[nH]c(=O)c2c1 ZINC000225525857 386200375 /nfs/dbraw/zinc/20/03/75/386200375.db2.gz QZMPBVBHZNMOLW-UHFFFAOYSA-N 0 0 239.278 2.481 50 0 BEAARN Cc1nc(-n2cccc2)sc1C(=O)NC1CC1 ZINC000012391237 386296877 /nfs/dbraw/zinc/29/68/77/386296877.db2.gz GFFNDRGRXKVOEU-UHFFFAOYSA-N 0 0 247.323 2.134 50 0 BEAARN CC(C)c1ccc(CSC[C@H](O)CO)cc1 ZINC000086660150 386268973 /nfs/dbraw/zinc/26/89/73/386268973.db2.gz WJPZBSPGDZAWQL-CYBMUJFWSA-N 0 0 240.368 2.396 50 0 BEAARN COCc1ccccc1C(=O)O[C@@H](C)COC ZINC000073836745 386349369 /nfs/dbraw/zinc/34/93/69/386349369.db2.gz KWWUSUFZPUPFDB-JTQLQIEISA-N 0 0 238.283 2.025 50 0 BEAARN COC[C@H]1CCN(C(=O)Nc2ccccc2C)C1 ZINC000265878793 386381614 /nfs/dbraw/zinc/38/16/14/386381614.db2.gz PFKKLOKDIVJUQG-LBPRGKRZSA-N 0 0 248.326 2.495 50 0 BEAARN Cc1ccc(CNC(=O)CCn2cccc2)o1 ZINC000015771312 386437743 /nfs/dbraw/zinc/43/77/43/386437743.db2.gz WGVLQKGMCVQIDU-UHFFFAOYSA-N 0 0 232.283 2.096 50 0 BEAARN CS(=O)(=O)c1cccc2nccc(Cl)c21 ZINC000238387263 386474719 /nfs/dbraw/zinc/47/47/19/386474719.db2.gz HHRCCDXHJSJKTR-UHFFFAOYSA-N 0 0 241.699 2.292 50 0 BEAARN COC(=O)c1cnoc1-c1ccc(OC)cc1 ZINC000328579124 386526770 /nfs/dbraw/zinc/52/67/70/386526770.db2.gz SNMOWBLWASEFDN-UHFFFAOYSA-N 0 0 233.223 2.137 50 0 BEAARN CC(C)Cc1cccc([C@H](C)C(N)=O)c1 ZINC000242317071 386546367 /nfs/dbraw/zinc/54/63/67/386546367.db2.gz YXBKCZDRXBCHDL-JTQLQIEISA-N 0 0 205.301 2.474 50 0 BEAARN CCON=c1nc[nH]c2cc(OC)c(OC)cc21 ZINC000004042591 386682035 /nfs/dbraw/zinc/68/20/35/386682035.db2.gz KKWQRWIRKJTAND-UHFFFAOYSA-N 0 0 249.270 2.010 50 0 BEAARN O=C(CCC1(O)CCC1)NCc1cccs1 ZINC000585135296 386685509 /nfs/dbraw/zinc/68/55/09/386685509.db2.gz AKYRSNXIAMKTPL-UHFFFAOYSA-N 0 0 239.340 2.060 50 0 BEAARN C[C@H](F)CCNC(=O)N1CCC(C)CC1 ZINC000334423443 386751761 /nfs/dbraw/zinc/75/17/61/386751761.db2.gz SBLYEKLSWAVZNC-JTQLQIEISA-N 0 0 216.300 2.176 50 0 BEAARN Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1cnn2C ZINC000049548991 386771496 /nfs/dbraw/zinc/77/14/96/386771496.db2.gz WQTZQBMDHOLGQX-MRVPVSSYSA-N 0 0 246.270 2.149 50 0 BEAARN C[C@@H]1C[C@@H]1CC(=O)N1CC(C(F)(F)F)C1 ZINC000334773728 386825139 /nfs/dbraw/zinc/82/51/39/386825139.db2.gz VOXAMLIHPNWCEU-RNFRBKRXSA-N 0 0 221.222 2.053 50 0 BEAARN CSCC[C@H](C(=O)NC1CC1)n1cccc1 ZINC000263587925 386863520 /nfs/dbraw/zinc/86/35/20/386863520.db2.gz MXFJHNMRGKCOJY-LLVKDONJSA-N 0 0 238.356 2.061 50 0 BEAARN CN(Cc1ccccc1F)C(=O)c1ccccn1 ZINC000032960780 386884599 /nfs/dbraw/zinc/88/45/99/386884599.db2.gz FYKVJTKKHQSSSZ-UHFFFAOYSA-N 0 0 244.269 2.493 50 0 BEAARN CO[C@H]1CCC[C@H]1CNc1nc(C)cnc1C ZINC000358329436 386932663 /nfs/dbraw/zinc/93/26/63/386932663.db2.gz MGQOKSURFDELSW-RYUDHWBXSA-N 0 0 235.331 2.320 50 0 BEAARN Cc1ccc([C@@H](C)NC(=O)c2ccn[nH]2)cc1F ZINC000088235034 386934383 /nfs/dbraw/zinc/93/43/83/386934383.db2.gz SYOPHKSLRHRPMB-SECBINFHSA-N 0 0 247.273 2.348 50 0 BEAARN C[C@H](NC(=O)c1cnns1)c1ccccc1 ZINC000047409723 386972874 /nfs/dbraw/zinc/97/28/74/386972874.db2.gz RBZILIKTJFWPFE-QMMMGPOBSA-N 0 0 233.296 2.029 50 0 BEAARN C[C@@]1(F)CCCN(Cc2cscn2)C1 ZINC000296057660 387048933 /nfs/dbraw/zinc/04/89/33/387048933.db2.gz PDBFOMAAGOOICU-SNVBAGLBSA-N 0 0 214.309 2.467 50 0 BEAARN CC(C)(C)C(=O)NC[C@@](C)(O)c1cccs1 ZINC000075155802 387056310 /nfs/dbraw/zinc/05/63/10/387056310.db2.gz RUUAKJAZMWDFOH-GFCCVEGCSA-N 0 0 241.356 2.118 50 0 BEAARN Nc1c(O)c(F)cc(Br)c1F ZINC000575409812 387014871 /nfs/dbraw/zinc/01/48/71/387014871.db2.gz RODPKXTYOOZJPI-UHFFFAOYSA-N 0 0 224.004 2.015 50 0 BEAARN CC(=O)c1ccc(C(=O)NCc2ccoc2)s1 ZINC000045835444 387016293 /nfs/dbraw/zinc/01/62/93/387016293.db2.gz WPTNUBQDSSKWMX-UHFFFAOYSA-N 0 0 249.291 2.474 50 0 BEAARN Cc1cnc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)o1 ZINC000333230989 387022862 /nfs/dbraw/zinc/02/28/62/387022862.db2.gz BYMJBXSVQWCDBS-QWRGUYRKSA-N 0 0 234.299 2.149 50 0 BEAARN COC(=O)NC[C@H](OC)c1cc2ccccc2o1 ZINC000575415642 387023144 /nfs/dbraw/zinc/02/31/44/387023144.db2.gz MBNLKMYLRCSBLU-LBPRGKRZSA-N 0 0 249.266 2.476 50 0 BEAARN COC(=O)NC[C@@H](OC)c1cc2ccccc2o1 ZINC000575415641 387023305 /nfs/dbraw/zinc/02/33/05/387023305.db2.gz MBNLKMYLRCSBLU-GFCCVEGCSA-N 0 0 249.266 2.476 50 0 BEAARN Cc1cc(CN2CCC[C@](C)(F)C2)ncn1 ZINC000295305617 387084602 /nfs/dbraw/zinc/08/46/02/387084602.db2.gz FOTXSTUTDLZDFK-LBPRGKRZSA-N 0 0 223.295 2.109 50 0 BEAARN O=C(NC[C@@H]1CC12CC2)N1CCC=C(F)C1 ZINC000334994808 387086444 /nfs/dbraw/zinc/08/64/44/387086444.db2.gz ZMANKVURUDPNKF-VIFPVBQESA-N 0 0 224.279 2.055 50 0 BEAARN Cc1nnc(CN2CCC(CF)CC2)s1 ZINC000336260090 387095941 /nfs/dbraw/zinc/09/59/41/387095941.db2.gz UMQCYKBCDGLIBG-UHFFFAOYSA-N 0 0 229.324 2.028 50 0 BEAARN Cc1cc(CN2CCC[C@](C)(F)C2)no1 ZINC000295400412 387145765 /nfs/dbraw/zinc/14/57/65/387145765.db2.gz LZLISYXGUNGUDY-NSHDSACASA-N 0 0 212.268 2.307 50 0 BEAARN O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000129728794 387156663 /nfs/dbraw/zinc/15/66/63/387156663.db2.gz DFKKUEFSFQEOQT-ZDUSSCGKSA-N 0 0 245.322 2.373 50 0 BEAARN CC(C)(C)[C@@H](O)CCNC(=O)[C@@H]1CC=CCC1 ZINC000075170580 387157363 /nfs/dbraw/zinc/15/73/63/387157363.db2.gz ONCJMTMBEOKBKK-NEPJUHHUSA-N 0 0 239.359 2.256 50 0 BEAARN Cc1cc(C)nc(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000089599440 387181881 /nfs/dbraw/zinc/18/18/81/387181881.db2.gz NOMODSJDPNITDZ-VXGBXAGGSA-N 0 0 217.316 2.330 50 0 BEAARN O=C(c1ccccn1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000089878917 387185285 /nfs/dbraw/zinc/18/52/85/387185285.db2.gz PWPVVAVHNDUVIK-TXEJJXNPSA-N 0 0 230.311 2.344 50 0 BEAARN FC(F)c1nnc(N2CCCC2)s1 ZINC000089819108 387185592 /nfs/dbraw/zinc/18/55/92/387185592.db2.gz OZCPGDPCNCZSLG-UHFFFAOYSA-N 0 0 205.233 2.076 50 0 BEAARN C[C@H]1SCCN(C(=O)C2CCC2)[C@H]1C ZINC000089920009 387188449 /nfs/dbraw/zinc/18/84/49/387188449.db2.gz SSPODGTZOLVENR-DTWKUNHWSA-N 0 0 213.346 2.139 50 0 BEAARN Cc1cnn(CC2CC2)c1NC(=O)[C@@H]1C[C@@H]1C ZINC000063848981 387134384 /nfs/dbraw/zinc/13/43/84/387134384.db2.gz BHPRHTUNUBTSRF-GZMMTYOYSA-N 0 0 233.315 2.196 50 0 BEAARN Fc1cccc(-c2noc(Cn3ccnc3)n2)c1 ZINC000064542868 387211819 /nfs/dbraw/zinc/21/18/19/387211819.db2.gz XKUVRKGWJHQVSB-UHFFFAOYSA-N 0 0 244.229 2.121 50 0 BEAARN CCCn1ccc(NC(=O)NC(C)(C)C)n1 ZINC000064555928 387221474 /nfs/dbraw/zinc/22/14/74/387221474.db2.gz BBEPBEWHYLVVBX-UHFFFAOYSA-N 0 0 224.308 2.213 50 0 BEAARN Fc1cc(Br)ccc1OC[C@H]1CO1 ZINC000034957314 387247507 /nfs/dbraw/zinc/24/75/07/387247507.db2.gz GQGJOZRFBLNFIN-SSDOTTSWSA-N 0 0 247.063 2.366 50 0 BEAARN c1ccc2sc(CN3CCOCC3)nc2c1 ZINC000058874575 387196740 /nfs/dbraw/zinc/19/67/40/387196740.db2.gz CJONNVIVNXRRPQ-UHFFFAOYSA-N 0 0 234.324 2.129 50 0 BEAARN O=C1CC[C@@]2(CCCCO2)[C@@]12CCCCO2 ZINC000043763666 387274185 /nfs/dbraw/zinc/27/41/85/387274185.db2.gz AVUWCHTZCZDRQN-QWHCGFSZSA-N 0 0 224.300 2.228 50 0 BEAARN CC(C)(C)O[C@@H]1CC[C@@H]2CCC[C@H]1S2(=O)=O ZINC000071785418 387287781 /nfs/dbraw/zinc/28/77/81/387287781.db2.gz PBAIRLMVYAJJDE-HBNTYKKESA-N 0 0 246.372 2.300 50 0 BEAARN Cc1n[nH]cc1C(=O)NCC1(CC(C)C)CC1 ZINC000089544439 387303042 /nfs/dbraw/zinc/30/30/42/387303042.db2.gz LUTIAWBQYYMDPO-UHFFFAOYSA-N 0 0 235.331 2.274 50 0 BEAARN O=S1(=O)C[C@@H]2CC=C3CCCC[C@@H]3[C@@H]2C1 ZINC000216391953 387325915 /nfs/dbraw/zinc/32/59/15/387325915.db2.gz IDUKJPBRTFHNFG-SDDRHHMPSA-N 0 0 226.341 2.168 50 0 BEAARN Cn1cc(Br)c2ccccc2c1=O ZINC000001755226 322810692 /nfs/dbraw/zinc/81/06/92/322810692.db2.gz YCYRWLPOFCNZPY-UHFFFAOYSA-N 0 0 238.084 2.301 50 0 BEAARN Cc1cc(C(=O)Nc2nc(C)c(C)s2)no1 ZINC000013331445 387346369 /nfs/dbraw/zinc/34/63/69/387346369.db2.gz NCUWDNGWHOBFTA-UHFFFAOYSA-N 0 0 237.284 2.309 50 0 BEAARN CONC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053720886 387448380 /nfs/dbraw/zinc/44/83/80/387448380.db2.gz UXQZWUSTBKOIGL-WPRPVWTQSA-N 0 0 223.272 2.013 50 0 BEAARN CC(C)(C)C(=O)NCC[C@@H](O)c1cccs1 ZINC000077113095 387448604 /nfs/dbraw/zinc/44/86/04/387448604.db2.gz CYJFSXBCWJRYAK-SECBINFHSA-N 0 0 241.356 2.334 50 0 BEAARN CC(=O)c1c(F)cccc1N[C@@H](C)CCO ZINC000077226349 387451182 /nfs/dbraw/zinc/45/11/82/387451182.db2.gz MPTAEAYQHLJSKQ-QMMMGPOBSA-N 0 0 225.263 2.211 50 0 BEAARN CC(=O)c1c(F)cccc1N(C)CC[C@H](C)O ZINC000078416958 387451701 /nfs/dbraw/zinc/45/17/01/387451701.db2.gz ROPVVNSELUFZHJ-VIFPVBQESA-N 0 0 239.290 2.235 50 0 BEAARN C[C@@H](Cc1ccoc1)NC(=O)c1ccco1 ZINC000084835683 387454558 /nfs/dbraw/zinc/45/45/58/387454558.db2.gz PLSWUAVRQXFAOL-VIFPVBQESA-N 0 0 219.240 2.234 50 0 BEAARN C[C@H](Cc1ccoc1)NC(=O)C(C)(C)C ZINC000084827291 387454935 /nfs/dbraw/zinc/45/49/35/387454935.db2.gz NLNAPPPLXBDJQE-SECBINFHSA-N 0 0 209.289 2.373 50 0 BEAARN CC(C)=CC/C=C1\CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000004718871 387455891 /nfs/dbraw/zinc/45/58/91/387455891.db2.gz XPGHNXMVHVOVHW-RGEGJOEESA-N 0 0 233.311 2.342 50 0 BEAARN CC[C@](CNC(C)=O)(OC)c1ccccc1 ZINC000096123673 387457233 /nfs/dbraw/zinc/45/72/33/387457233.db2.gz RJSGVGWKQPNAKY-CYBMUJFWSA-N 0 0 221.300 2.074 50 0 BEAARN CC[C@@H](C(=O)[O-])[N@H+](C)CCc1ccc(F)cc1 ZINC000191410062 387389405 /nfs/dbraw/zinc/38/94/05/387389405.db2.gz DCTMUYCNFKFLSP-LBPRGKRZSA-N 0 0 239.290 2.163 50 0 BEAARN Cn1ccc([C@@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000575606179 387392916 /nfs/dbraw/zinc/39/29/16/387392916.db2.gz DDJUCMHUUISJPX-SECBINFHSA-N 0 0 247.264 2.162 50 0 BEAARN c1nnc(N2Cc3ccccc3C2)s1 ZINC000575607352 387393622 /nfs/dbraw/zinc/39/36/22/387393622.db2.gz NKHMBGPLUSNDQJ-UHFFFAOYSA-N 0 0 203.270 2.058 50 0 BEAARN CCSCCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121783469 387406627 /nfs/dbraw/zinc/40/66/27/387406627.db2.gz MCWROVXHEVBKAF-SNVBAGLBSA-N 0 0 240.376 2.085 50 0 BEAARN COCCn1c2ccc(C)cc2sc1=N ZINC000100969229 387472613 /nfs/dbraw/zinc/47/26/13/387472613.db2.gz IWKPDYFXGZYGMD-UHFFFAOYSA-N 0 0 222.313 2.137 50 0 BEAARN Cc1cc(C)n(C[C@H](O)CCc2ccccc2)n1 ZINC000146643265 387480061 /nfs/dbraw/zinc/48/00/61/387480061.db2.gz XLKXBZWJWXDQNP-OAHLLOKOSA-N 0 0 244.338 2.494 50 0 BEAARN CC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000000407884 387488620 /nfs/dbraw/zinc/48/86/20/387488620.db2.gz CXEGEDUUGOIOEM-UHFFFAOYSA-N 0 0 232.235 2.335 50 0 biogenic BEAARN CC(=O)Oc1ccc2oc(=O)cc(C)c2c1 ZINC000000366477 387488777 /nfs/dbraw/zinc/48/87/77/387488777.db2.gz IJNCWCFCIOPZPE-UHFFFAOYSA-N 0 0 218.208 2.027 50 0 biogenic BEAARN CCN(CC)c1nc(N)cc(-c2ccsc2)n1 ZINC000426544542 387580536 /nfs/dbraw/zinc/58/05/36/387580536.db2.gz WZOZUQYHZWPIRV-UHFFFAOYSA-N 0 0 248.355 2.464 50 0 BEAARN Cc1cccc(-c2nc(N(C)C)n(C)n2)c1C ZINC000426589766 387581246 /nfs/dbraw/zinc/58/12/46/387581246.db2.gz LKAWIJLZTVLNQG-UHFFFAOYSA-N 0 0 230.315 2.165 50 0 BEAARN N=c1ncnc2[nH][nH]c(/C=C/C3CCCCC3)c1-2 ZINC000426597198 387581349 /nfs/dbraw/zinc/58/13/49/387581349.db2.gz IWMZJKSSCSYBPV-VOTSOKGWSA-N 0 0 243.314 2.311 50 0 BEAARN CC(C)n1ncnc1-c1ccc2c(c1)OCCO2 ZINC000426652874 387583823 /nfs/dbraw/zinc/58/38/23/387583823.db2.gz JSCNXQUDVHCPND-UHFFFAOYSA-N 0 0 245.282 2.297 50 0 BEAARN c1c(CSc2ncccn2)nc2ccccn12 ZINC000006698393 387625951 /nfs/dbraw/zinc/62/59/51/387625951.db2.gz PDOACFVNPHRPNW-UHFFFAOYSA-N 0 0 242.307 2.417 50 0 BEAARN Cc1ccc(C(=O)NCc2ccccc2)cn1 ZINC000032895315 387549504 /nfs/dbraw/zinc/54/95/04/387549504.db2.gz ITSPLAIXFHSVHR-UHFFFAOYSA-N 0 0 226.279 2.320 50 0 BEAARN CC[C@H](C)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000032899812 387553217 /nfs/dbraw/zinc/55/32/17/387553217.db2.gz SEWUZTWDSHAJJR-QMMMGPOBSA-N 0 0 246.314 2.261 50 0 BEAARN Cc1ccc(C)c(C(=O)Nc2cn[nH]c2)c1 ZINC000035237580 387561091 /nfs/dbraw/zinc/56/10/91/387561091.db2.gz OHVVBGKKFWSXEQ-UHFFFAOYSA-N 0 0 215.256 2.279 50 0 BEAARN COc1ccc(Cl)cc1-c1nc(C)nn1C ZINC000426383719 387562027 /nfs/dbraw/zinc/56/20/27/387562027.db2.gz CNRHRKJOLBFDSW-UHFFFAOYSA-N 0 0 237.690 2.453 50 0 BEAARN CCOc1cccc(-c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000426392720 387562427 /nfs/dbraw/zinc/56/24/27/387562427.db2.gz FVQISTXOQBWAMU-UHFFFAOYSA-N 0 0 246.266 2.262 50 0 BEAARN CCc1nc(-c2ccc(OC)c(C)c2)n(C)n1 ZINC000426390018 387562616 /nfs/dbraw/zinc/56/26/16/387562616.db2.gz YQPAJFHAFVZTHP-UHFFFAOYSA-N 0 0 231.299 2.362 50 0 BEAARN CC[C@H]1C=CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC000426414199 387567406 /nfs/dbraw/zinc/56/74/06/387567406.db2.gz BIHHKXDQYSIHFD-ZETCQYMHSA-N 0 0 241.241 2.138 50 0 BEAARN CC(=O)c1c(-c2cccc(N(C)C)c2)cnn1C ZINC000426440294 387570261 /nfs/dbraw/zinc/57/02/61/387570261.db2.gz OZXCJJNFCOHDHR-UHFFFAOYSA-N 0 0 243.310 2.356 50 0 BEAARN Cc1nccn1[C@@H](C)C(=O)NCC1=CCCCC1 ZINC000426465167 387572291 /nfs/dbraw/zinc/57/22/91/387572291.db2.gz KZGMDZOCYLMYDL-NSHDSACASA-N 0 0 247.342 2.369 50 0 BEAARN CCc1nn(C)cc1-c1ccc2c(c1)OCCO2 ZINC000426479150 387574980 /nfs/dbraw/zinc/57/49/80/387574980.db2.gz WGADLRAMXAICCQ-UHFFFAOYSA-N 0 0 244.294 2.421 50 0 BEAARN CC(C)COc1ccccc1-c1cncc(=O)[nH]1 ZINC000426507896 387577079 /nfs/dbraw/zinc/57/70/79/387577079.db2.gz OAMMZFVESHYHPD-UHFFFAOYSA-N 0 0 244.294 2.472 50 0 BEAARN CCCn1ncnc1-c1ccnc2[nH]ccc21 ZINC000426509321 387577136 /nfs/dbraw/zinc/57/71/36/387577136.db2.gz GPRIJXRUPCCUHG-UHFFFAOYSA-N 0 0 227.271 2.183 50 0 BEAARN COCc1nnc(-c2ccc([C@@H](C)OC)cc2)[nH]1 ZINC000426518409 387578024 /nfs/dbraw/zinc/57/80/24/387578024.db2.gz WBYZPFRAHBSLDO-SECBINFHSA-N 0 0 247.298 2.326 50 0 BEAARN Cn1nc(-c2cc(F)cc(Cl)c2)ccc1=O ZINC000426531535 387578676 /nfs/dbraw/zinc/57/86/76/387578676.db2.gz DWLQHYUSYGVUCV-UHFFFAOYSA-N 0 0 238.649 2.240 50 0 BEAARN COc1cccc(-c2cn(C)nc2C)c1OC ZINC000426541177 387579853 /nfs/dbraw/zinc/57/98/53/387579853.db2.gz ACBBSOWFVLTKHY-UHFFFAOYSA-N 0 0 232.283 2.413 50 0 BEAARN Cc1noc([C@@H](C)N2CCc3ccccc3C2)n1 ZINC000042651693 387634666 /nfs/dbraw/zinc/63/46/66/387634666.db2.gz TUFZBPOGGCBNHK-SNVBAGLBSA-N 0 0 243.310 2.497 50 0 BEAARN CC(C)[C@@H]([NH2+]CC1CCCCC1)C(=O)[O-] ZINC000035391148 387670820 /nfs/dbraw/zinc/67/08/20/387670820.db2.gz UIZOFHYSVUAIKV-LLVKDONJSA-N 0 0 213.321 2.266 50 0 BEAARN CC(C)(C)C(=O)N1CCOc2ccccc2C1 ZINC000070263984 387673646 /nfs/dbraw/zinc/67/36/46/387673646.db2.gz PJSQQLCEJQRHCQ-UHFFFAOYSA-N 0 0 233.311 2.454 50 0 BEAARN CCc1cccc(OCC(=O)NCC(C)C)c1 ZINC000036391951 387785018 /nfs/dbraw/zinc/78/50/18/387785018.db2.gz IJECEYNDCZMQSG-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN Cc1cc(C)c2c(n1)sc1c2ncn(C)c1=O ZINC000000157390 177884210 /nfs/dbraw/zinc/88/42/10/177884210.db2.gz REXLXKBWRXZWEQ-UHFFFAOYSA-N 0 0 245.307 2.160 50 0 BEAARN CCCCN(C)C(=O)c1cn2c(n1)CCCC2 ZINC000075531248 387837107 /nfs/dbraw/zinc/83/71/07/387837107.db2.gz WVXYYBDQWPTBTA-UHFFFAOYSA-N 0 0 235.331 2.092 50 0 BEAARN Nc1cccc(-c2nccnc2N2CCCC2)c1 ZINC000169676900 387853753 /nfs/dbraw/zinc/85/37/53/387853753.db2.gz SMLWJCSRLOPXHH-UHFFFAOYSA-N 0 0 240.310 2.326 50 0 BEAARN Cc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2C(=O)[O-] ZINC000395636651 387865922 /nfs/dbraw/zinc/86/59/22/387865922.db2.gz AHYHJWKUOLTNOU-LLVKDONJSA-N 0 0 219.284 2.002 50 0 biogenic BEAARN Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2O)cc1 ZINC000006922965 387871970 /nfs/dbraw/zinc/87/19/70/387871970.db2.gz WYQVMNNOJHPEAF-RYUDHWBXSA-N 0 0 234.299 2.030 50 0 BEAARN CC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1C ZINC000019505547 387916345 /nfs/dbraw/zinc/91/63/45/387916345.db2.gz BMSVXURYDSJPDJ-LDYMZIIASA-N 0 0 217.268 2.484 50 0 BEAARN Cc1cc(C)c(-n2cccn2)c(C=O)c1 ZINC000019089527 177835729 /nfs/dbraw/zinc/83/57/29/177835729.db2.gz ANDWMSARSMGVCR-UHFFFAOYSA-N 0 0 200.241 2.302 50 0 BEAARN CCC[C@H](O)CNC(=O)Nc1ccc(C)s1 ZINC000075416766 387954651 /nfs/dbraw/zinc/95/46/51/387954651.db2.gz TWKAQDQECIRTHS-VIFPVBQESA-N 0 0 242.344 2.339 50 0 BEAARN Cc1cc(C(=O)Nc2ccccc2N(C)C)n[nH]1 ZINC000054762195 177818392 /nfs/dbraw/zinc/81/83/92/177818392.db2.gz FHPPEVPYVFUEIR-UHFFFAOYSA-N 0 0 244.298 2.036 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCO1 ZINC000245696624 387973278 /nfs/dbraw/zinc/97/32/78/387973278.db2.gz QAXXGJLIECIBIL-XQHKEYJVSA-N 0 0 237.343 2.345 50 0 BEAARN O=C1OCC[C@H]1N1CCC2(CCCCC2)CC1 ZINC000065592189 388112062 /nfs/dbraw/zinc/11/20/62/388112062.db2.gz CFKMCRNPZYKYSV-GFCCVEGCSA-N 0 0 237.343 2.348 50 0 BEAARN CCC[C@H](C)N(C)c1cc(=O)n2ccccc2n1 ZINC000169943889 388112295 /nfs/dbraw/zinc/11/22/95/388112295.db2.gz WCHJXNHVJQBRJE-NSHDSACASA-N 0 0 245.326 2.319 50 0 BEAARN FC(F)(F)C1CCN(c2cnccn2)CC1 ZINC000172785500 388170738 /nfs/dbraw/zinc/17/07/38/388170738.db2.gz ZWKQRYLJVMJKOL-UHFFFAOYSA-N 0 0 231.221 2.255 50 0 BEAARN Cc1cc(C(=O)NC2CC(C)(F)C2)co1 ZINC000334836214 177775247 /nfs/dbraw/zinc/77/52/47/177775247.db2.gz ZWKYKSDQZWZWJE-UHFFFAOYSA-N 0 0 211.236 2.208 50 0 BEAARN Cc1cc(C(=O)Nc2ncc(C)s2)no1 ZINC000013329787 388129340 /nfs/dbraw/zinc/12/93/40/388129340.db2.gz DIHLNYDAOMBLRD-UHFFFAOYSA-N 0 0 223.257 2.000 50 0 BEAARN c1csc(-c2nc(Cn3ccnc3)no2)c1 ZINC000065288300 388255829 /nfs/dbraw/zinc/25/58/29/388255829.db2.gz NIQCOYTZQLMCFR-UHFFFAOYSA-N 0 0 232.268 2.043 50 0 BEAARN CN(Cc1ccccn1)C(=O)c1ccccc1O ZINC000036778418 388260891 /nfs/dbraw/zinc/26/08/91/388260891.db2.gz PMBPMYHFBTZTBB-UHFFFAOYSA-N 0 0 242.278 2.059 50 0 BEAARN Cc1cnn(Cc2cc(C)cc(C)c2)c(=O)c1 ZINC000170615776 388257717 /nfs/dbraw/zinc/25/77/17/388257717.db2.gz VOAYNDLJNSMNCG-UHFFFAOYSA-N 0 0 228.295 2.217 50 0 BEAARN CC(C)(C)n1cc(NC(=S)NC2CC2)cn1 ZINC000065710564 388245460 /nfs/dbraw/zinc/24/54/60/388245460.db2.gz RKKUMPQJMNFBHO-UHFFFAOYSA-N 0 0 238.360 2.087 50 0 BEAARN C[C@H](Nc1ncnc2c1cnn2C)c1ccco1 ZINC000014266519 388291774 /nfs/dbraw/zinc/29/17/74/388291774.db2.gz VPGQDYPJSSEPRN-QMMMGPOBSA-N 0 0 243.270 2.129 50 0 BEAARN CN=c1scc(-c2ccccc2)n1C ZINC000382598764 388273544 /nfs/dbraw/zinc/27/35/44/388273544.db2.gz LWDHTVXEUMSTHI-UHFFFAOYSA-N 0 0 204.298 2.284 50 0 BEAARN CCOP(=O)(OCC)c1ccc(O)cc1 ZINC000002573153 388344987 /nfs/dbraw/zinc/34/49/87/388344987.db2.gz RKDQFNLPHKSPGL-UHFFFAOYSA-N 0 0 230.200 2.284 50 0 BEAARN Cc1nc2ccc(Cl)cc2nc(C)c1=NO ZINC000254630143 388347471 /nfs/dbraw/zinc/34/74/71/388347471.db2.gz AYFILULTYUPOAQ-UHFFFAOYSA-N 0 0 235.674 2.190 50 0 BEAARN O=C1Nc2ccccc2C12O[C@H]1CCCC[C@@H]1O2 ZINC000001461250 388349591 /nfs/dbraw/zinc/34/95/91/388349591.db2.gz BXNQCLJYOVTQDD-RYUDHWBXSA-N 0 0 245.278 2.150 50 0 BEAARN Cc1c(NC(=O)c2ccc(C)cc2)cnn1C ZINC000002796268 388350620 /nfs/dbraw/zinc/35/06/20/388350620.db2.gz RRNIGBSRXZUSBG-UHFFFAOYSA-N 0 0 229.283 2.289 50 0 BEAARN CC/C=C(/C)C(=O)NCc1ccccn1 ZINC000056672552 388351267 /nfs/dbraw/zinc/35/12/67/388351267.db2.gz GHOIRBMLPJPXRA-POHAHGRESA-N 0 0 204.273 2.054 50 0 BEAARN CCOc1ccc(CNc2nc(C)nn2C)cc1 ZINC000162497656 388353738 /nfs/dbraw/zinc/35/37/38/388353738.db2.gz UOMDFNGVHNBOCZ-UHFFFAOYSA-N 0 0 246.314 2.134 50 0 BEAARN Cc1ccc(CCc2nc([C@H]3CCOC3)no2)o1 ZINC000089652927 388358467 /nfs/dbraw/zinc/35/84/67/388358467.db2.gz CCCUNAHVYUXITP-JTQLQIEISA-N 0 0 248.282 2.260 50 0 BEAARN O=C(c1cn(-c2ccccc2)cn1)N1CCCC1 ZINC000227116043 388358537 /nfs/dbraw/zinc/35/85/37/388358537.db2.gz CSANXWFCOABJOQ-UHFFFAOYSA-N 0 0 241.294 2.108 50 0 BEAARN Cc1cnc([C@H](NC(=O)C2CC2)C2CC2)s1 ZINC000089702370 388362595 /nfs/dbraw/zinc/36/25/95/388362595.db2.gz BNWIBYWNJKQNCC-SNVBAGLBSA-N 0 0 236.340 2.429 50 0 BEAARN COCc1nc2ccc(C(C)C)cc2c(=O)[nH]1 ZINC000057771793 388368969 /nfs/dbraw/zinc/36/89/69/388368969.db2.gz DOYYNRFFWYNGSM-UHFFFAOYSA-N 0 0 232.283 2.193 50 0 BEAARN Cc1ccc(O[C@@H](C)CNC(=O)NC2CC2)cc1 ZINC000076066432 388372178 /nfs/dbraw/zinc/37/21/78/388372178.db2.gz UTEHFWVHLMMWAD-NSHDSACASA-N 0 0 248.326 2.224 50 0 BEAARN CC(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000008447127 388405638 /nfs/dbraw/zinc/40/56/38/388405638.db2.gz KGJZGHHOKMIDIM-LLVKDONJSA-N 0 0 249.310 2.181 50 0 BEAARN Cn1c(CO)cnc1SCCCCCF ZINC000252500339 388375836 /nfs/dbraw/zinc/37/58/36/388375836.db2.gz SSNGUEUTNSSPDM-UHFFFAOYSA-N 0 0 232.324 2.144 50 0 BEAARN CCO[C@@H]1C[C@H](NC(=O)C2CC2)C12CCCC2 ZINC000089986040 388379271 /nfs/dbraw/zinc/37/92/71/388379271.db2.gz CNPBHIFLTQFHAA-NWDGAFQWSA-N 0 0 237.343 2.250 50 0 BEAARN Cc1nnnn1CCCSCc1ccccc1 ZINC000090192517 388395538 /nfs/dbraw/zinc/39/55/38/388395538.db2.gz NWMZRILTZIJASE-UHFFFAOYSA-N 0 0 248.355 2.305 50 0 BEAARN CCCn1cc(NCC2CCOCC2)cn1 ZINC000090190821 388395671 /nfs/dbraw/zinc/39/56/71/388395671.db2.gz JVORIPPZLNHNJN-UHFFFAOYSA-N 0 0 223.320 2.132 50 0 BEAARN Cc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1N ZINC000009737697 388442025 /nfs/dbraw/zinc/44/20/25/388442025.db2.gz JAJYERYIDWIJGK-UHFFFAOYSA-N 0 0 249.310 2.349 50 0 BEAARN CC(C)=CC(=O)NCc1nc(C)cs1 ZINC000042038152 388442479 /nfs/dbraw/zinc/44/24/79/388442479.db2.gz OSENCEUEDMOLPS-UHFFFAOYSA-N 0 0 210.302 2.034 50 0 BEAARN O=C(Nc1nccs1)NC1CCCC1 ZINC000042652165 388444256 /nfs/dbraw/zinc/44/42/56/388444256.db2.gz KXKOQGHLNLXYPY-UHFFFAOYSA-N 0 0 211.290 2.207 50 0 BEAARN C[C@@H](NC(=O)Nc1nccs1)C1CC1 ZINC000042652205 388444405 /nfs/dbraw/zinc/44/44/05/388444405.db2.gz SZCZYSJIUFBERM-ZCFIWIBFSA-N 0 0 211.290 2.063 50 0 BEAARN C[C@@H](NC(=O)Nc1nccs1)c1ccccn1 ZINC000042652264 388444431 /nfs/dbraw/zinc/44/44/31/388444431.db2.gz RPLJAMFXYGJZJP-MRVPVSSYSA-N 0 0 248.311 2.421 50 0 BEAARN Cc1ccc(CCn2ncc(C)cc2=O)cc1 ZINC000195435075 388471691 /nfs/dbraw/zinc/47/16/91/388471691.db2.gz CSQNIEIDBXVWQZ-UHFFFAOYSA-N 0 0 228.295 2.103 50 0 BEAARN CSCCC(=O)NCc1sccc1C ZINC000040070961 388411686 /nfs/dbraw/zinc/41/16/86/388411686.db2.gz NITLBDXCYYESCV-UHFFFAOYSA-N 0 0 229.370 2.426 50 0 BEAARN O=C(/C=C/c1cccnc1)Nc1ccccn1 ZINC000040051007 388411955 /nfs/dbraw/zinc/41/19/55/388411955.db2.gz QILQPJFHMUUJIW-VOTSOKGWSA-N 0 0 225.251 2.129 50 0 BEAARN CC(C)=CC(=O)NCCc1cccs1 ZINC000040161016 388412750 /nfs/dbraw/zinc/41/27/50/388412750.db2.gz BAIGCPRFARLKBX-UHFFFAOYSA-N 0 0 209.314 2.373 50 0 BEAARN O=C(C[C@@H]1C=CCC1)NCCc1ccccn1 ZINC000040465339 388416309 /nfs/dbraw/zinc/41/63/09/388416309.db2.gz PAYUCKKNRZWOOF-GFCCVEGCSA-N 0 0 230.311 2.097 50 0 BEAARN CO[C@@H](C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000069456200 388416780 /nfs/dbraw/zinc/41/67/80/388416780.db2.gz PZHQAJBZYMSLEE-NSHDSACASA-N 0 0 244.294 2.451 50 0 BEAARN c1cc(N2CCCCC2)nnc1N1CCCCC1 ZINC000000416431 388416883 /nfs/dbraw/zinc/41/68/83/388416883.db2.gz KCFMAKKBGFUHBB-UHFFFAOYSA-N 0 0 246.358 2.457 50 0 BEAARN CCO[C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000040523424 388419958 /nfs/dbraw/zinc/41/99/58/388419958.db2.gz PYCPAPAWSJBDMI-DTWKUNHWSA-N 0 0 227.329 2.350 50 0 BEAARN O=C(CCC(=O)c1cccs1)Nc1cn[nH]c1 ZINC000040512160 388420155 /nfs/dbraw/zinc/42/01/55/388420155.db2.gz YSTPCMIUUQDAAZ-UHFFFAOYSA-N 0 0 249.295 2.073 50 0 BEAARN CCc1cccc(C)c1NC(=O)N[C@H](C)CO ZINC000040525490 388420956 /nfs/dbraw/zinc/42/09/56/388420956.db2.gz SSEBFDPRGGXPHA-SNVBAGLBSA-N 0 0 236.315 2.060 50 0 BEAARN Cc1ccc(Cl)cc1NCC(=O)NC1CC1 ZINC000009315332 388428154 /nfs/dbraw/zinc/42/81/54/388428154.db2.gz GLPUWMBPEMHEIP-UHFFFAOYSA-N 0 0 238.718 2.339 50 0 BEAARN COC(=O)c1c(Cl)ncn1-c1ccccc1 ZINC000069949520 388431191 /nfs/dbraw/zinc/43/11/91/388431191.db2.gz BGDYGSKHJAWQHJ-UHFFFAOYSA-N 0 0 236.658 2.312 50 0 BEAARN Cc1nc(CNC(=O)c2ccncc2)sc1C ZINC000041569106 388438030 /nfs/dbraw/zinc/43/80/30/388438030.db2.gz CXFJIIVHHVUHEW-UHFFFAOYSA-N 0 0 247.323 2.085 50 0 BEAARN Cc1noc(CCCC(=O)Nc2ccccc2)n1 ZINC000041618588 388438058 /nfs/dbraw/zinc/43/80/58/388438058.db2.gz IJAHMCVVVIZPOS-UHFFFAOYSA-N 0 0 245.282 2.339 50 0 BEAARN C[C@@](O)(CNC(=O)C1CCCC1)c1ccccc1 ZINC000070639498 388438929 /nfs/dbraw/zinc/43/89/29/388438929.db2.gz FXSGCLNFCNFVFB-OAHLLOKOSA-N 0 0 247.338 2.201 50 0 BEAARN CC(C)(C)CC(=O)NC[C@H](O)Cc1ccccc1 ZINC000070639123 388439060 /nfs/dbraw/zinc/43/90/60/388439060.db2.gz RYDJJJWAKWEXNY-CYBMUJFWSA-N 0 0 249.354 2.142 50 0 BEAARN CNc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000009606418 388439278 /nfs/dbraw/zinc/43/92/78/388439278.db2.gz HUMVUPGVFSYPPJ-UHFFFAOYSA-N 0 0 247.279 2.286 50 0 BEAARN CC(=O)c1c(C)[nH]c(C(=O)OC(C)C)c1C ZINC000009583476 388439378 /nfs/dbraw/zinc/43/93/78/388439378.db2.gz BEPPMWOQIDNRPJ-UHFFFAOYSA-N 0 0 223.272 2.399 50 0 BEAARN Cc1n[nH]c(C)c1CN(C)Cc1ccncc1 ZINC000195562018 388483821 /nfs/dbraw/zinc/48/38/21/388483821.db2.gz YNICCQTYWQZCKE-UHFFFAOYSA-N 0 0 230.315 2.054 50 0 BEAARN CN(CCC1OCCO1)c1ccc(F)cc1 ZINC000195565924 388486022 /nfs/dbraw/zinc/48/60/22/388486022.db2.gz WVIDJRWKQJEWDL-UHFFFAOYSA-N 0 0 225.263 2.025 50 0 BEAARN Cc1cc(C(=O)O[C@@H]2CCc3cccnc32)on1 ZINC000195579203 388497841 /nfs/dbraw/zinc/49/78/41/388497841.db2.gz ZZLDMCGQAIWDRI-SNVBAGLBSA-N 0 0 244.250 2.222 50 0 BEAARN Cc1ccc(C(=O)NCC(F)(F)C(F)F)o1 ZINC000195580127 388501452 /nfs/dbraw/zinc/50/14/52/388501452.db2.gz FVUDLJIOLZKHLW-UHFFFAOYSA-N 0 0 239.168 2.218 50 0 BEAARN Fc1cccnc1N1CCO[C@H]2CCCC[C@H]21 ZINC000253370151 388589352 /nfs/dbraw/zinc/58/93/52/388589352.db2.gz MTIQZORFXGLLSD-NEPJUHHUSA-N 0 0 236.290 2.369 50 0 BEAARN O=C(CCc1ncc[nH]1)NCC1(C2CC2)CCC1 ZINC000253407794 388591187 /nfs/dbraw/zinc/59/11/87/388591187.db2.gz KZKMLBPWUOWFOM-UHFFFAOYSA-N 0 0 247.342 2.039 50 0 BEAARN CCc1cc(O)ccc1NC(=O)[C@@H]1CCO[C@H]1C ZINC000253427872 388592257 /nfs/dbraw/zinc/59/22/57/388592257.db2.gz BDFQHJHVFITYEN-JOYOIKCWSA-N 0 0 249.310 2.318 50 0 BEAARN CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1F ZINC000055004671 388595491 /nfs/dbraw/zinc/59/54/91/388595491.db2.gz HRGPLBXYHZBXQI-IUCAKERBSA-N 0 0 225.263 2.038 50 0 BEAARN O=C([C@H]1Cc2cc(F)ccc2O1)N1CCCCC1 ZINC000076938310 388671278 /nfs/dbraw/zinc/67/12/78/388671278.db2.gz VDPJEVYFQHDOKY-CYBMUJFWSA-N 0 0 249.285 2.142 50 0 BEAARN Cc1ccc(OCc2ccccn2)nc1 ZINC000079021305 388742815 /nfs/dbraw/zinc/74/28/15/388742815.db2.gz RKQIYEDJRRNBRS-UHFFFAOYSA-N 0 0 200.241 2.364 50 0 BEAARN COC[C@H](C)CNc1ccc(C)nc1C ZINC000153373644 388743389 /nfs/dbraw/zinc/74/33/89/388743389.db2.gz CCOUEXUKKKTELW-SECBINFHSA-N 0 0 208.305 2.393 50 0 BEAARN O=C(Nc1ccc2scnc2c1)[C@H]1CCOC1 ZINC000195382499 388707553 /nfs/dbraw/zinc/70/75/53/388707553.db2.gz ZOQNIUHHQHUTOI-QMMMGPOBSA-N 0 0 248.307 2.271 50 0 BEAARN Cn1cccc1C(=O)N1CC(C)(CC(F)F)C1 ZINC000649021009 388719181 /nfs/dbraw/zinc/71/91/81/388719181.db2.gz MQKFZRJKVBFLGE-UHFFFAOYSA-N 0 0 242.269 2.142 50 0 BEAARN CCCCC(=O)N[C@@H](C)c1nnc(C)s1 ZINC000095940066 388792104 /nfs/dbraw/zinc/79/21/04/388792104.db2.gz QJHYKTOMTCUMGE-ZETCQYMHSA-N 0 0 227.333 2.214 50 0 BEAARN O=C(CCc1cscn1)O[C@H]1CCSC1 ZINC000095959364 388794536 /nfs/dbraw/zinc/79/45/36/388794536.db2.gz MRNIACBDISLBGN-VIFPVBQESA-N 0 0 243.353 2.124 50 0 BEAARN COCc1nsc(N2[C@H](C)CC[C@@H]2C)n1 ZINC000095978563 388797763 /nfs/dbraw/zinc/79/77/63/388797763.db2.gz JLPOSRJRZSEDSJ-OCAPTIKFSA-N 0 0 227.333 2.062 50 0 BEAARN CCOc1ccccc1N(C)Cc1noc(C)n1 ZINC000095974429 388798445 /nfs/dbraw/zinc/79/84/45/388798445.db2.gz SXYYQZANGUXFRT-UHFFFAOYSA-N 0 0 247.298 2.413 50 0 BEAARN COC[C@@H](C)SCCC(=O)N1CCCCC1 ZINC000096005550 388802022 /nfs/dbraw/zinc/80/20/22/388802022.db2.gz RDZVKSYAVDMYDC-LLVKDONJSA-N 0 0 245.388 2.157 50 0 BEAARN Cc1cc(N=NC2CCn3cccc32)nc(C)n1 ZINC000254505589 388807710 /nfs/dbraw/zinc/80/77/10/388807710.db2.gz KQUVASBKJJPIRB-UHFFFAOYSA-N 0 0 241.298 2.115 50 0 BEAARN O=C(/C=C/c1ccoc1)NCCc1ccoc1 ZINC000096120585 388810703 /nfs/dbraw/zinc/81/07/03/388810703.db2.gz LSWZUGSXFNBJGF-OWOJBTEDSA-N 0 0 231.251 2.245 50 0 BEAARN CC(C)c1cc(C(=O)OCc2ccoc2)nn1C ZINC000080283359 388763272 /nfs/dbraw/zinc/76/32/72/388763272.db2.gz FLFHKBWDQWVVEJ-UHFFFAOYSA-N 0 0 248.282 2.494 50 0 BEAARN CCc1ccccc1NC(=O)[C@@H](C)n1cncn1 ZINC000095349198 388763971 /nfs/dbraw/zinc/76/39/71/388763971.db2.gz NYFYLRJLYVSCRP-SNVBAGLBSA-N 0 0 244.298 2.040 50 0 BEAARN CCC[C@@H]1C[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000095404374 388765577 /nfs/dbraw/zinc/76/55/77/388765577.db2.gz YKRUPRJIPZPYDD-RNFRBKRXSA-N 0 0 227.695 2.024 50 0 BEAARN CCC1(CC)[C@H](N(C)C(C)=O)C[C@@H]1OC ZINC000095423384 388768806 /nfs/dbraw/zinc/76/88/06/388768806.db2.gz OVCBAGNIFOUREM-MNOVXSKESA-N 0 0 213.321 2.058 50 0 BEAARN Fc1ccc(Cl)cc1CNCc1cc[nH]n1 ZINC000095435695 388772047 /nfs/dbraw/zinc/77/20/47/388772047.db2.gz DMLPBBLUXINDTJ-UHFFFAOYSA-N 0 0 239.681 2.492 50 0 BEAARN CCC[C@@](C)(O)C(=O)Nc1cccc(C)c1O ZINC000095443695 388773353 /nfs/dbraw/zinc/77/33/53/388773353.db2.gz IVCZCKHHZBRMQF-CYBMUJFWSA-N 0 0 237.299 2.190 50 0 BEAARN CCCCCNC(=O)N1CCCC[C@@H]1CCO ZINC000095461048 388774096 /nfs/dbraw/zinc/77/40/96/388774096.db2.gz CCPPMWMHCXZCDV-GFCCVEGCSA-N 0 0 242.363 2.123 50 0 BEAARN Cc1ccc(C(=O)N=c2ccccn2C)cc1C ZINC000254478864 388775296 /nfs/dbraw/zinc/77/52/96/388775296.db2.gz OZWYAAQAQUQVFW-UHFFFAOYSA-N 0 0 240.306 2.383 50 0 BEAARN C/C=C/C=C\C(=O)Nc1ccnc(C)c1 ZINC000096298441 388814841 /nfs/dbraw/zinc/81/48/41/388814841.db2.gz CGIPFYWRRWKCOQ-ICWBMWKASA-N 0 0 202.257 2.461 50 0 BEAARN O=C(c1cnccn1)N1CCC2(CCCC2)CC1 ZINC000096414626 388818437 /nfs/dbraw/zinc/81/84/37/388818437.db2.gz STWKGULZUKLDMN-UHFFFAOYSA-N 0 0 245.326 2.273 50 0 BEAARN CSc1c(F)cc(NC(N)=O)cc1F ZINC000097107721 388834096 /nfs/dbraw/zinc/83/40/96/388834096.db2.gz PGSLXCRPIAXGQW-UHFFFAOYSA-N 0 0 218.228 2.177 50 0 BEAARN CCCCNc1ncnc2c1ccc(=O)n2CC ZINC000225549187 388837949 /nfs/dbraw/zinc/83/79/49/388837949.db2.gz SYBNDKFWQXRJIN-UHFFFAOYSA-N 0 0 246.314 2.023 50 0 BEAARN C[C@@H]1CC(C(=O)NCc2ccco2)C[C@@H](C)O1 ZINC000093899921 388855085 /nfs/dbraw/zinc/85/50/85/388855085.db2.gz DFVGVVYPUZSASE-NXEZZACHSA-N 0 0 237.299 2.099 50 0 BEAARN Nc1ccc(CNc2nc3ccccc3o2)cn1 ZINC000193385911 388865033 /nfs/dbraw/zinc/86/50/33/388865033.db2.gz AWXHWSAQJIRDPK-UHFFFAOYSA-N 0 0 240.266 2.417 50 0 BEAARN CC(C)[C@H]1CN(C(=O)c2ccc[nH]2)CCS1 ZINC000170643686 388850287 /nfs/dbraw/zinc/85/02/87/388850287.db2.gz XPLFVOXBEGXORB-LLVKDONJSA-N 0 0 238.356 2.228 50 0 BEAARN Cc1cc(-c2cccnc2)nc(N2CCCC2)n1 ZINC000032573466 177686689 /nfs/dbraw/zinc/68/66/89/177686689.db2.gz YEYNPZHVNXFLNY-UHFFFAOYSA-N 0 0 240.310 2.447 50 0 BEAARN CCN(C(C)=O)c1ccc(Br)cn1 ZINC000089969468 169664009 /nfs/dbraw/zinc/66/40/09/169664009.db2.gz DGKHMKNVCCYOMA-UHFFFAOYSA-N 0 0 243.104 2.217 50 0 BEAARN CCN(C)C(=O)Nc1cc(C)cc(C)n1 ZINC000097143031 169684828 /nfs/dbraw/zinc/68/48/28/169684828.db2.gz JRXBUUNKBHXHHE-UHFFFAOYSA-N 0 0 207.277 2.182 50 0 BEAARN COc1cc(C)c(Br)c(C)n1 ZINC000039109732 533565367 /nfs/dbraw/zinc/56/53/67/533565367.db2.gz SZDHVOMPLABLPW-UHFFFAOYSA-N 0 0 216.078 2.470 50 0 BEAARN FC(F)(F)C1=CCN(c2ncccn2)CC1 ZINC000270221035 132195995 /nfs/dbraw/zinc/19/59/95/132195995.db2.gz NDCGSCVBUFOYFT-UHFFFAOYSA-N 0 0 229.205 2.175 50 0 BEAARN C[C@H]1CN(c2ncnc3ccsc32)C[C@H](C)O1 ZINC000000080545 132312677 /nfs/dbraw/zinc/31/26/77/132312677.db2.gz SVUFRCMCWNRJQQ-IUCAKERBSA-N 0 0 249.339 2.305 50 0 BEAARN O=C1Cc2ccccc2C(=O)N1c1ccccc1 ZINC000000340087 132313510 /nfs/dbraw/zinc/31/35/10/132313510.db2.gz QIUJEIYANWQBLO-UHFFFAOYSA-N 0 0 237.258 2.416 50 0 BEAARN COc1c(C=O)cc2c3c1CCCN3CCC2 ZINC000000336544 132313532 /nfs/dbraw/zinc/31/35/32/132313532.db2.gz IUBIQSNHMJUCRI-UHFFFAOYSA-N 0 0 231.295 2.207 50 0 BEAARN CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001561649 132314220 /nfs/dbraw/zinc/31/42/20/132314220.db2.gz FGZISPCFLHSBOQ-UHFFFAOYSA-N 0 0 238.718 2.009 50 0 BEAARN CC(=O)N1c2ccccc2N(C(C)=O)[C@H](C)[C@H]1C ZINC000004779431 132317044 /nfs/dbraw/zinc/31/70/44/132317044.db2.gz UFBHMUGOJWNUJZ-NXEZZACHSA-N 0 0 246.310 2.183 50 0 BEAARN CC[C@H]1CCCCN1c1ccc(N)cn1 ZINC000011568757 132319773 /nfs/dbraw/zinc/31/97/73/132319773.db2.gz IUMXSODXNVPVLC-NSHDSACASA-N 0 0 205.305 2.433 50 0 BEAARN Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000012778440 132321376 /nfs/dbraw/zinc/32/13/76/132321376.db2.gz VEJCYGREDNZFMG-UHFFFAOYSA-N 0 0 231.324 2.288 50 0 BEAARN CCCN1CNC(=S)N(c2cccc(C)c2)C1 ZINC000013636083 132321896 /nfs/dbraw/zinc/32/18/96/132321896.db2.gz SAEIYLNGMCDNQL-UHFFFAOYSA-N 0 0 249.383 2.317 50 0 BEAARN CC[C@@H]1CCCCN1c1ncnc2c1cnn2C ZINC000014140785 132322553 /nfs/dbraw/zinc/32/25/53/132322553.db2.gz QZVFMRIEWXZPHP-SNVBAGLBSA-N 0 0 245.330 2.132 50 0 BEAARN COc1ccnc(N2CCc3sccc3C2)n1 ZINC000014141409 132322674 /nfs/dbraw/zinc/32/26/74/132322674.db2.gz PKOMZHCUPUKAIP-UHFFFAOYSA-N 0 0 247.323 2.109 50 0 BEAARN CCCCN1CNC(=S)N(c2ccccc2)C1 ZINC000020189545 132330266 /nfs/dbraw/zinc/33/02/66/132330266.db2.gz YUELQDSFDSZWTB-UHFFFAOYSA-N 0 0 249.383 2.398 50 0 BEAARN Nc1cc(Cl)ccc1N1CCSCC1 ZINC000020256819 132330475 /nfs/dbraw/zinc/33/04/75/132330475.db2.gz MZUQCNJZUIWBAJ-UHFFFAOYSA-N 0 0 228.748 2.475 50 0 BEAARN Cc1noc2ncnc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000021531581 132331948 /nfs/dbraw/zinc/33/19/48/132331948.db2.gz QPPMQKODPQYCNE-IUCAKERBSA-N 0 0 246.314 2.409 50 0 BEAARN CC1CCN(c2ccnc(Cl)n2)CC1 ZINC000024747341 132333363 /nfs/dbraw/zinc/33/33/63/132333363.db2.gz LQEQJGAJOSEQFL-UHFFFAOYSA-N 0 0 211.696 2.366 50 0 BEAARN Cc1cc(C)cc(N2C(=O)CCCC2=O)c1 ZINC000003086197 132334073 /nfs/dbraw/zinc/33/40/73/132334073.db2.gz CKGAQMSMBLBTFJ-UHFFFAOYSA-N 0 0 217.268 2.347 50 0 BEAARN COC(=O)c1cccnc1N1CCC(C)CC1 ZINC000032895061 132335625 /nfs/dbraw/zinc/33/56/25/132335625.db2.gz NCPLOAIFJTXIMA-UHFFFAOYSA-N 0 0 234.299 2.105 50 0 BEAARN CCCCN1c2ccc(N)cc2CCC1=O ZINC000034936252 132337249 /nfs/dbraw/zinc/33/72/49/132337249.db2.gz FGNRIFONNUAXBE-UHFFFAOYSA-N 0 0 218.300 2.348 50 0 BEAARN C[C@H]1CN(c2ncnc3ccccc32)C[C@H](C)O1 ZINC000041476130 132350256 /nfs/dbraw/zinc/35/02/56/132350256.db2.gz NONTWCXZCNNCBF-QWRGUYRKSA-N 0 0 243.310 2.243 50 0 BEAARN CCn1nc(C)c2ncnc(N3CCCCC3)c21 ZINC000057280125 132365607 /nfs/dbraw/zinc/36/56/07/132365607.db2.gz PUUUSOSPGCOCNY-UHFFFAOYSA-N 0 0 245.330 2.145 50 0 BEAARN CC(C)CC(=O)N1CCCc2ncccc21 ZINC000069378367 132390142 /nfs/dbraw/zinc/39/01/42/132390142.db2.gz FXUHCAXHLBHQGJ-UHFFFAOYSA-N 0 0 218.300 2.407 50 0 BEAARN Fc1cccc(N2CCC(n3ccnc3)CC2)n1 ZINC000071899523 132395236 /nfs/dbraw/zinc/39/52/36/132395236.db2.gz RPLXPOQEUSFGLT-UHFFFAOYSA-N 0 0 246.289 2.259 50 0 BEAARN Cc1cnc(C)c(N2CCC3(CCCO3)CC2)n1 ZINC000071748596 132395347 /nfs/dbraw/zinc/39/53/47/132395347.db2.gz ZMNNTUOPPRULPR-UHFFFAOYSA-N 0 0 247.342 2.243 50 0 BEAARN Fc1cncc(N2CCC(F)(F)CC2)c1 ZINC000169725436 132445511 /nfs/dbraw/zinc/44/55/11/132445511.db2.gz OZTHZLPMTDCDDZ-UHFFFAOYSA-N 0 0 216.206 2.456 50 0 BEAARN O=C(Nc1nncs1)[C@@H]1CCC[C@H](F)C1 ZINC000335099073 133764490 /nfs/dbraw/zinc/76/44/90/133764490.db2.gz UAQPOMBAGPFOBD-RQJHMYQMSA-N 0 0 229.280 2.005 50 0 BEAARN Cn1cccc1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000335438997 133846063 /nfs/dbraw/zinc/84/60/63/133846063.db2.gz ACDZTBVSXNXAGO-RYUDHWBXSA-N 0 0 232.327 2.430 50 0 BEAARN N#CN(C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000335791670 133908630 /nfs/dbraw/zinc/90/86/30/133908630.db2.gz PJFPGSJWQQMROO-SNVBAGLBSA-N 0 0 220.247 2.150 50 0 BEAARN Cc1cc(N2CCC(F)(F)[C@@H](C)C2)ncn1 ZINC000336026714 134057273 /nfs/dbraw/zinc/05/72/73/134057273.db2.gz UWBNQTBLPIZREW-QMMMGPOBSA-N 0 0 227.258 2.267 50 0 BEAARN C[C@H]1CCN(C(=O)c2ccc[nH]2)CC1(F)F ZINC000336100988 134083375 /nfs/dbraw/zinc/08/33/75/134083375.db2.gz VSZVFOWHZPNJQM-QMMMGPOBSA-N 0 0 228.242 2.132 50 0 BEAARN Oc1ccc(-c2noc(C3CC3)n2)cc1F ZINC000336179935 134118285 /nfs/dbraw/zinc/11/82/85/134118285.db2.gz CNRLNHSPAAMTSS-UHFFFAOYSA-N 0 0 220.203 2.459 50 0 BEAARN FC1(F)CC[C@H](CSc2nc[nH]n2)C1 ZINC000336195223 134125555 /nfs/dbraw/zinc/12/55/55/134125555.db2.gz VIWFARJSEGJTFP-LURJTMIESA-N 0 0 219.260 2.332 50 0 BEAARN C[C@@]1(F)CCCN(Cc2cncs2)C1 ZINC000336215584 134137027 /nfs/dbraw/zinc/13/70/27/134137027.db2.gz ZINLBMKCMKDPRH-SNVBAGLBSA-N 0 0 214.309 2.467 50 0 BEAARN Cn1cncc1CNc1cccc(F)c1 ZINC000085167696 134224626 /nfs/dbraw/zinc/22/46/26/134224626.db2.gz DFQQULPFSNHCPE-UHFFFAOYSA-N 0 0 205.236 2.171 50 0 BEAARN CN(CCCn1cccn1)C(=O)c1cccs1 ZINC000067690497 134398202 /nfs/dbraw/zinc/39/82/02/134398202.db2.gz ZMNZSPOGTQAUHM-UHFFFAOYSA-N 0 0 249.339 2.107 50 0 BEAARN CC(C)COc1ccc(NCc2cc[nH]n2)cn1 ZINC000095430914 134441799 /nfs/dbraw/zinc/44/17/99/134441799.db2.gz GQNRPACCQQAJDC-UHFFFAOYSA-N 0 0 246.314 2.452 50 0 BEAARN NC(=O)CCSc1ncc(-c2ccccc2)o1 ZINC000095413669 134441895 /nfs/dbraw/zinc/44/18/95/134441895.db2.gz UQWPWCPSHWHAKY-UHFFFAOYSA-N 0 0 248.307 2.309 50 0 BEAARN Cc1ccc(CNC(=O)c2ccc(C)nc2)cn1 ZINC000047556765 134612983 /nfs/dbraw/zinc/61/29/83/134612983.db2.gz NTBCLDHDUFKZCR-UHFFFAOYSA-N 0 0 241.294 2.023 50 0 BEAARN CCOC(=O)c1c(C)cc2ccccn21 ZINC000001591193 134832810 /nfs/dbraw/zinc/83/28/10/134832810.db2.gz DOYCJNQDDMPBRR-UHFFFAOYSA-N 0 0 203.241 2.424 50 0 BEAARN O=C(NC[C@H]1COc2ccccc21)c1ccco1 ZINC000074913459 134951241 /nfs/dbraw/zinc/95/12/41/134951241.db2.gz USKJRGQAWHMVGA-JTQLQIEISA-N 0 0 243.262 2.186 50 0 BEAARN O=C(C1CC=CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000077737537 135075931 /nfs/dbraw/zinc/07/59/31/135075931.db2.gz GXSJENUXPIHDHD-CHWSQXEVSA-N 0 0 235.327 2.123 50 0 BEAARN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000262272609 135289192 /nfs/dbraw/zinc/28/91/92/135289192.db2.gz UENXXFXKAOJOPS-GXTWGEPZSA-N 0 0 247.338 2.414 50 0 BEAARN O=C(N[C@H]1CC[C@@H](F)C1)c1ccsc1 ZINC000334287248 135340091 /nfs/dbraw/zinc/34/00/91/135340091.db2.gz XTYJNFXJNRSLRC-BDAKNGLRSA-N 0 0 213.277 2.369 50 0 BEAARN CC(C)CC[N@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263347495 135348392 /nfs/dbraw/zinc/34/83/92/135348392.db2.gz OYUBWBMWWPJJHR-WDEREUQCSA-N 0 0 213.321 2.075 50 0 BEAARN CNC(=O)Nc1cccc(F)c1Cl ZINC000306925784 135380099 /nfs/dbraw/zinc/38/00/99/135380099.db2.gz NMCPXNZYRCBQHG-UHFFFAOYSA-N 0 0 202.616 2.230 50 0 BEAARN O=C(Cc1ccoc1)N1CCC[C@@H]1C(F)F ZINC000334466949 135422549 /nfs/dbraw/zinc/42/25/49/135422549.db2.gz DRULCWPFGQHOJI-SECBINFHSA-N 0 0 229.226 2.078 50 0 BEAARN C[C@@H](F)CCNC(=O)N1CCCC2(CC2)C1 ZINC000334564862 135724870 /nfs/dbraw/zinc/72/48/70/135724870.db2.gz ORLBXKPRWIJBFT-SNVBAGLBSA-N 0 0 228.311 2.320 50 0 BEAARN C[C@H]1C[C@@H]1CC(=O)N1CC(C(F)(F)F)C1 ZINC000334773726 135808998 /nfs/dbraw/zinc/80/89/98/135808998.db2.gz VOXAMLIHPNWCEU-NKWVEPMBSA-N 0 0 221.222 2.053 50 0 BEAARN O=C(CC1CC(F)(F)C1)Nc1cccnc1 ZINC000335164853 135925766 /nfs/dbraw/zinc/92/57/66/135925766.db2.gz UTMPXFHPVUTFOK-UHFFFAOYSA-N 0 0 226.226 2.456 50 0 BEAARN O=C(N[C@@H]1CC[C@H](F)C1)c1cccs1 ZINC000335316403 136025350 /nfs/dbraw/zinc/02/53/50/136025350.db2.gz NNCGANMDTDTWMC-JGVFFNPUSA-N 0 0 213.277 2.369 50 0 BEAARN CCCC(=O)N1CC[C@@H](C)C(F)(F)C1 ZINC000335341696 136064338 /nfs/dbraw/zinc/06/43/38/136064338.db2.gz SRQOJKFWDGFSTO-MRVPVSSYSA-N 0 0 205.248 2.290 50 0 BEAARN CC1(C(=O)N2CC(CC(F)F)C2)CCC1 ZINC000335384831 136088648 /nfs/dbraw/zinc/08/86/48/136088648.db2.gz OVQPWHLYABLYBT-UHFFFAOYSA-N 0 0 217.259 2.290 50 0 BEAARN O=c1ccc(F)cn1CC1CC(F)(F)C1 ZINC000335593295 136103895 /nfs/dbraw/zinc/10/38/95/136103895.db2.gz AVYSTSLKIHNVQP-UHFFFAOYSA-N 0 0 217.190 2.033 50 0 BEAARN C[C@H](F)CCNC(=O)N1CCC=C(F)C1 ZINC000335575667 136110806 /nfs/dbraw/zinc/11/08/06/136110806.db2.gz HVJDHACVRWETLF-QMMMGPOBSA-N 0 0 218.247 2.003 50 0 BEAARN CCN(C)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000098013148 397804295 /nfs/dbraw/zinc/80/42/95/397804295.db2.gz CTKJAIPALBCVFU-UHFFFAOYSA-N 0 0 244.298 2.356 50 0 BEAARN c1ncn(Cc2csc(C3CCCC3)n2)n1 ZINC000098012705 397804593 /nfs/dbraw/zinc/80/45/93/397804593.db2.gz AVIUTZDYUYLREA-UHFFFAOYSA-N 0 0 234.328 2.441 50 0 BEAARN COC(=O)c1c(O)ccn1Cc1ccccc1 ZINC000170610876 397824823 /nfs/dbraw/zinc/82/48/23/397824823.db2.gz ULIHNFNWZYJDMA-UHFFFAOYSA-N 0 0 231.251 2.029 50 0 BEAARN COc1ccc(SCC(=O)NC(C)C)cc1 ZINC000020455570 397965643 /nfs/dbraw/zinc/96/56/43/397965643.db2.gz PTKKHPOJDCEJLU-UHFFFAOYSA-N 0 0 239.340 2.312 50 0 BEAARN CC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000036179060 397947773 /nfs/dbraw/zinc/94/77/73/397947773.db2.gz CQNHNXCOMPLCEV-UHFFFAOYSA-N 0 0 218.256 2.173 50 0 BEAARN CC1(C)CN(C(=O)NCC2CC2)C1(C)C ZINC000170015545 397962569 /nfs/dbraw/zinc/96/25/69/397962569.db2.gz SMWGIHJAGGUFFL-UHFFFAOYSA-N 0 0 210.321 2.226 50 0 BEAARN COC(=O)c1cccc2c(C(=O)OC)cccc12 ZINC000000346171 397914663 /nfs/dbraw/zinc/91/46/63/397914663.db2.gz CUDOKCQJXWWKTD-UHFFFAOYSA-N 0 0 244.246 2.413 50 0 BEAARN c1n[nH]cc1Nc1ncnc2ccccc21 ZINC000029588419 397994133 /nfs/dbraw/zinc/99/41/33/397994133.db2.gz GSHKOLGPUZGHPO-UHFFFAOYSA-N 0 0 211.228 2.097 50 0 BEAARN COc1ncccc1CNC(=O)C1CCCCC1 ZINC000030307572 397998381 /nfs/dbraw/zinc/99/83/81/397998381.db2.gz ARPRCLWDCRSHHZ-UHFFFAOYSA-N 0 0 248.326 2.287 50 0 BEAARN COc1ncccc1CNC(=O)C[C@H]1C=CCC1 ZINC000030306352 397998613 /nfs/dbraw/zinc/99/86/13/397998613.db2.gz FWVKAKSBJJXPNV-NSHDSACASA-N 0 0 246.310 2.063 50 0 BEAARN Clc1ccc2ncnc(Cl)c2n1 ZINC000039039393 398026726 /nfs/dbraw/zinc/02/67/26/398026726.db2.gz FCNJEINFWXOLQY-UHFFFAOYSA-N 0 0 200.028 2.332 50 0 BEAARN CC(C)CCNC(=O)c1[nH]nc2ccccc21 ZINC000012519515 398042627 /nfs/dbraw/zinc/04/26/27/398042627.db2.gz JLSKBRCVZONBCW-UHFFFAOYSA-N 0 0 231.299 2.339 50 0 BEAARN O=C(c1ccncc1)N1Cc2ccccc2C1 ZINC000082279011 398067290 /nfs/dbraw/zinc/06/72/90/398067290.db2.gz RSKNUVGOXSYNPG-UHFFFAOYSA-N 0 0 224.263 2.238 50 0 BEAARN CC[C@@H](C)NC(=O)CCc1ccccc1O ZINC000058156453 398070839 /nfs/dbraw/zinc/07/08/39/398070839.db2.gz BNJBRDNALPVPKW-SNVBAGLBSA-N 0 0 221.300 2.240 50 0 BEAARN COc1ncc(Br)c2c1CCCN2 ZINC000217428101 398096029 /nfs/dbraw/zinc/09/60/29/398096029.db2.gz YEOCLMGLLJUOMF-UHFFFAOYSA-N 0 0 243.104 2.211 50 0 BEAARN CSc1ccc(C[N@H+](C)C[C@H](C)O)cc1 ZINC000051821359 398105786 /nfs/dbraw/zinc/10/57/86/398105786.db2.gz YCQZNHLQCWETEC-JTQLQIEISA-N 0 0 225.357 2.221 50 0 BEAARN Nc1c(O)cc(Br)cc1Cl ZINC000217958074 398098005 /nfs/dbraw/zinc/09/80/05/398098005.db2.gz HGZMYFOCTYYGCG-UHFFFAOYSA-N 0 0 222.469 2.390 50 0 BEAARN Cc1cc(CN2CCC[C@@H]2C(F)F)on1 ZINC000334877766 398113159 /nfs/dbraw/zinc/11/31/59/398113159.db2.gz FKXXGQMAHCIWGU-SECBINFHSA-N 0 0 216.231 2.213 50 0 BEAARN CCSC[C@@H](C)N(C)c1nnc(C)s1 ZINC000089275220 398113521 /nfs/dbraw/zinc/11/35/21/398113521.db2.gz JCGMLLLSZNMGEF-SSDOTTSWSA-N 0 0 231.390 2.424 50 0 BEAARN CC[C@H](NC(=O)C=C(C)C1CC1)c1ncc[nH]1 ZINC000222333533 398123965 /nfs/dbraw/zinc/12/39/65/398123965.db2.gz AFBLHSUZGGPFAN-FBOQAHMBSA-N 0 0 233.315 2.333 50 0 BEAARN Cc1cc(=O)[nH]c(C=Cc2ccnn2C(C)C)n1 ZINC000571907383 398126782 /nfs/dbraw/zinc/12/67/82/398126782.db2.gz JZZQXAWXKBYDQQ-PLNGDYQASA-N 0 0 244.298 2.438 50 0 BEAARN C[C@@H](NC(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000043728369 398123137 /nfs/dbraw/zinc/12/31/37/398123137.db2.gz SYQCDGBJUOGBID-DGCLKSJQSA-N 0 0 248.326 2.053 50 0 BEAARN CC(C)(C)CCn1nnnc1-c1ccncc1 ZINC000195572947 398133734 /nfs/dbraw/zinc/13/37/34/398133734.db2.gz GRAGJJICVKYCBY-UHFFFAOYSA-N 0 0 231.303 2.171 50 0 BEAARN CC(C)OC(=O)c1ccc2c[nH]nc2c1 ZINC000025786113 167171370 /nfs/dbraw/zinc/17/13/70/167171370.db2.gz XVBNXMVASCERMS-UHFFFAOYSA-N 0 0 204.229 2.128 50 0 BEAARN c1cn(Cc2cccc3ccccc32)nn1 ZINC000039366346 322897651 /nfs/dbraw/zinc/89/76/51/322897651.db2.gz ZJQQLCLITFXRAN-UHFFFAOYSA-N 0 0 209.252 2.480 50 0 BEAARN CC(C)OCCC(=O)Nc1cccc(O)c1 ZINC000095431583 167202580 /nfs/dbraw/zinc/20/25/80/167202580.db2.gz OBRRSQISQVKPLN-UHFFFAOYSA-N 0 0 223.272 2.146 50 0 BEAARN CC[C@H]1COC(C)(C)CN1c1cc(C)nc(C)n1 ZINC000585090392 487573398 /nfs/dbraw/zinc/57/33/98/487573398.db2.gz IHUZFKVZZSMFON-LBPRGKRZSA-N 0 0 249.358 2.487 50 0 BEAARN C=Cc1ccccc1-c1cc(C(N)=O)ccn1 ZINC000032537416 322898411 /nfs/dbraw/zinc/89/84/11/322898411.db2.gz PZWYMWNDCDGKJB-UHFFFAOYSA-N 0 0 224.263 2.491 50 0 BEAARN CC(C)OCCS[C@H](C)C(=O)NC(C)(C)C ZINC000089887888 167251382 /nfs/dbraw/zinc/25/13/82/167251382.db2.gz GIXXGLYGEDQSLZ-SNVBAGLBSA-N 0 0 247.404 2.448 50 0 BEAARN CCc1ccccc1NC(=O)C(=O)N[C@@H](C)CC ZINC000010327116 487588941 /nfs/dbraw/zinc/58/89/41/487588941.db2.gz SHEZFFPBPMNUOR-JTQLQIEISA-N 0 0 248.326 2.102 50 0 BEAARN CC(C)S(=O)(=O)NC[C@H](C)c1ccccc1 ZINC000013473525 167319990 /nfs/dbraw/zinc/31/99/90/167319990.db2.gz HIYDOWJVBIJBQF-NSHDSACASA-N 0 0 241.356 2.118 50 0 BEAARN CC[C@H](NC(C)=O)c1ccc2c(c1)OCCO2 ZINC000048812737 409918929 /nfs/dbraw/zinc/91/89/29/409918929.db2.gz SDVREEGDUBEYNN-NSHDSACASA-N 0 0 235.283 2.045 50 0 BEAARN CCCCOCC(=O)Nc1c(O)cccc1F ZINC000096436580 409984891 /nfs/dbraw/zinc/98/48/91/409984891.db2.gz DEGCHIWWLURWIU-UHFFFAOYSA-N 0 0 241.262 2.287 50 0 BEAARN CSC[C@H](C)C(=O)Nc1c(O)cccc1F ZINC000096436577 409985339 /nfs/dbraw/zinc/98/53/39/409985339.db2.gz TWJNYKKFVUJFQH-ZETCQYMHSA-N 0 0 243.303 2.469 50 0 BEAARN Cc1cc(C)n(-c2ccc(-n3cnnc3)cc2)n1 ZINC000065503832 409994475 /nfs/dbraw/zinc/99/44/75/409994475.db2.gz YXJJHDVXBRUHTF-UHFFFAOYSA-N 0 0 239.282 2.070 50 0 BEAARN NNc1ccc(OC(F)(F)Cl)cc1 ZINC000000036449 410065063 /nfs/dbraw/zinc/06/50/63/410065063.db2.gz CEFKZHDTKDZZPY-UHFFFAOYSA-N 0 0 208.595 2.140 50 0 BEAARN Brc1ccc(Br)nn1 ZINC000000967267 166097754 /nfs/dbraw/zinc/09/77/54/166097754.db2.gz VQAFMTSSCUETHA-UHFFFAOYSA-N 0 0 237.882 2.002 50 0 BEAARN Brc1ccc(N2CCSC2)nc1 ZINC000169725483 166098093 /nfs/dbraw/zinc/09/80/93/166098093.db2.gz WMGGDKXLJQVZFC-UHFFFAOYSA-N 0 0 245.145 2.355 50 0 BEAARN Brc1cnc2scnc2c1 ZINC000040448082 166104678 /nfs/dbraw/zinc/10/46/78/166104678.db2.gz DBDUQNAKRDIQJF-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Brc1cnc2ncccc2c1 ZINC000002526890 166104266 /nfs/dbraw/zinc/10/42/66/166104266.db2.gz PDZZZAWKYMHGLA-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1ccnc2ncccc12 ZINC000036533204 166102888 /nfs/dbraw/zinc/10/28/88/166102888.db2.gz QYXNSNJTMIEAPG-UHFFFAOYSA-N 0 0 209.046 2.392 50 0 BEAARN Brc1cnc(OCC2CC2)nc1 ZINC000082663843 166104647 /nfs/dbraw/zinc/10/46/47/166104647.db2.gz IPOGGNFPMGFIFL-UHFFFAOYSA-N 0 0 229.077 2.028 50 0 BEAARN Brc1scc2c1OCCO2 ZINC000039953818 166108462 /nfs/dbraw/zinc/10/84/62/166108462.db2.gz LECGHFZOZHNNCP-UHFFFAOYSA-N 0 0 221.075 2.282 50 0 BEAARN Brc1csc2ncncc12 ZINC000091301623 166106168 /nfs/dbraw/zinc/10/61/68/166106168.db2.gz YWKOMSVMLIYEKS-UHFFFAOYSA-N 0 0 215.075 2.454 50 0 BEAARN Brc1cnccc1N1CCCC1 ZINC000034416449 166106250 /nfs/dbraw/zinc/10/62/50/166106250.db2.gz MBBBWYVLXDPSHM-UHFFFAOYSA-N 0 0 227.105 2.444 50 0 BEAARN COc1ccc(C(N)=CC(=O)OC(C)(C)C)cc1 ZINC000100664238 410294353 /nfs/dbraw/zinc/29/43/53/410294353.db2.gz WIUMKJSFJIHMAS-XFXZXTDPSA-N 0 0 249.310 2.337 50 0 BEAARN CC(=O)c1c[nH]c(C(=O)NC2CCCCC2)c1 ZINC000007070995 166438128 /nfs/dbraw/zinc/43/81/28/166438128.db2.gz PFNCMIXUOVGMCB-UHFFFAOYSA-N 0 0 234.299 2.280 50 0 BEAARN CC(=O)c1cc(F)c(Br)cc1N ZINC000040441636 166445487 /nfs/dbraw/zinc/44/54/87/166445487.db2.gz PORVOUVGROIGTM-UHFFFAOYSA-N 0 0 232.052 2.373 50 0 BEAARN CC(=O)c1ccc(-n2cccc2C=O)cc1 ZINC000002581755 166451481 /nfs/dbraw/zinc/45/14/81/166451481.db2.gz TYHQAUHEAPTDNR-UHFFFAOYSA-N 0 0 213.236 2.492 50 0 BEAARN CC(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000008447128 166468454 /nfs/dbraw/zinc/46/84/54/166468454.db2.gz KGJZGHHOKMIDIM-NSHDSACASA-N 0 0 249.310 2.181 50 0 BEAARN CC(=O)c1cccc(-c2cncc(C(N)=O)c2)c1 ZINC000032561062 166471276 /nfs/dbraw/zinc/47/12/76/166471276.db2.gz AATYFQCVCYHPOQ-UHFFFAOYSA-N 0 0 240.262 2.050 50 0 BEAARN CC(=O)c1ncc(-c2ccccc2)n1C ZINC000075844442 166489842 /nfs/dbraw/zinc/48/98/42/166489842.db2.gz CPZRUVUCDAEGGV-UHFFFAOYSA-N 0 0 200.241 2.290 50 0 BEAARN CC(C)(C)NC(=O)CCCn1cccc1 ZINC000269599899 166611236 /nfs/dbraw/zinc/61/12/36/166611236.db2.gz VTHSGXUZCGLHQJ-UHFFFAOYSA-N 0 0 208.305 2.183 50 0 BEAARN CC(C)(C)NC(=O)CCn1ncc2ccccc21 ZINC000040757855 166613566 /nfs/dbraw/zinc/61/35/66/166613566.db2.gz FRRJDIIVVXAATD-UHFFFAOYSA-N 0 0 245.326 2.341 50 0 BEAARN CC(C)CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000009954778 166793911 /nfs/dbraw/zinc/79/39/11/166793911.db2.gz KARMSTOUWMRFQA-UHFFFAOYSA-N 0 0 249.310 2.468 50 0 BEAARN CC(C)CN(C)C(=O)Cc1[nH]nc2ccccc21 ZINC000050561813 166930710 /nfs/dbraw/zinc/93/07/10/166930710.db2.gz AGTYXXJXNZSXEC-UHFFFAOYSA-N 0 0 245.326 2.220 50 0 BEAARN CC(C)CNC(=O)[C@@H]1Cc2ccccc2S1 ZINC000012921922 166995876 /nfs/dbraw/zinc/99/58/76/166995876.db2.gz WCGHMGJSMRFGOT-LBPRGKRZSA-N 0 0 235.352 2.476 50 0 BEAARN CC(C)CNC(=O)c1cc(N)ccc1Cl ZINC000020193961 166997230 /nfs/dbraw/zinc/99/72/30/166997230.db2.gz BBJSEBCVTSKMQQ-UHFFFAOYSA-N 0 0 226.707 2.308 50 0 BEAARN CC(C)N1CNc2nc3ccccc3n2C1 ZINC000005858880 167027818 /nfs/dbraw/zinc/02/78/18/167027818.db2.gz FWTUBIMXHVVJAR-UHFFFAOYSA-N 0 0 216.288 2.087 50 0 BEAARN CC(C)NC(=O)/C=C/c1ccc(F)cc1 ZINC000005909763 167037103 /nfs/dbraw/zinc/03/71/03/167037103.db2.gz SHFFIABZLAWJRK-VMPITWQZSA-N 0 0 207.248 2.364 50 0 BEAARN CC(C)NC(=O)CCc1ccc(F)cc1 ZINC000062061233 167046561 /nfs/dbraw/zinc/04/65/61/167046561.db2.gz MVFGAPLXVWFYNV-UHFFFAOYSA-N 0 0 209.264 2.283 50 0 BEAARN CC(C)NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000146292 167063479 /nfs/dbraw/zinc/06/34/79/167063479.db2.gz HAKHHWLDLPYERB-UHFFFAOYSA-N 0 0 249.339 2.180 50 0 BEAARN CC(C)NC(=O)N(C)Cc1ccsc1 ZINC000064554207 167066300 /nfs/dbraw/zinc/06/63/00/167066300.db2.gz ZXIJHPVNEFLQOY-UHFFFAOYSA-N 0 0 212.318 2.298 50 0 BEAARN CC(C)NC(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000048922366 167076260 /nfs/dbraw/zinc/07/62/60/167076260.db2.gz SJKIPJNJTHREBP-JTQLQIEISA-N 0 0 236.315 2.031 50 0 BEAARN CC(C)NC(=O)Oc1noc2ccccc21 ZINC000000075955 167079093 /nfs/dbraw/zinc/07/90/93/167079093.db2.gz CNUXFOJAJRDUSS-UHFFFAOYSA-N 0 0 220.228 2.325 50 0 BEAARN CC(C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000001456902 167081215 /nfs/dbraw/zinc/08/12/15/167081215.db2.gz DDEQUIASKFRODF-VXGBXAGGSA-N 0 0 203.285 2.315 50 0 BEAARN CC(C)NC(=O)c1cc(-c2ccccc2)on1 ZINC000000815041 167084864 /nfs/dbraw/zinc/08/48/64/167084864.db2.gz IJRFYRIYWKYKTC-UHFFFAOYSA-N 0 0 230.267 2.480 50 0 BEAARN CC(C)NC(=O)c1cc(Cl)ccc1O ZINC000019837106 167085669 /nfs/dbraw/zinc/08/56/69/167085669.db2.gz TZWCTMXUYQLVSW-UHFFFAOYSA-N 0 0 213.664 2.184 50 0 BEAARN CC(C)NC(=O)c1cc(-c2ccccc2)no1 ZINC000065403064 167086176 /nfs/dbraw/zinc/08/61/76/167086176.db2.gz MRUSLRAYFQDVPJ-UHFFFAOYSA-N 0 0 230.267 2.480 50 0 BEAARN CC(C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000013017571 167086960 /nfs/dbraw/zinc/08/69/60/167086960.db2.gz BZRPEEBCJYMYHV-UHFFFAOYSA-N 0 0 246.310 2.173 50 0 BEAARN CC(C)NC(=O)c1ccc(Cl)c(N)c1 ZINC000019092930 167087569 /nfs/dbraw/zinc/08/75/69/167087569.db2.gz HUSJCHWWMFRTEK-UHFFFAOYSA-N 0 0 212.680 2.060 50 0 BEAARN CC(C)NC(=O)c1c[nH]nc1-c1cccs1 ZINC000072329434 167091355 /nfs/dbraw/zinc/09/13/55/167091355.db2.gz AVZUAFOUJKEEHU-UHFFFAOYSA-N 0 0 235.312 2.276 50 0 BEAARN CC(C)OCc1nc2ccccc2n1C ZINC000021175923 167272562 /nfs/dbraw/zinc/27/25/62/167272562.db2.gz IYXLTMBTKWJRPH-UHFFFAOYSA-N 0 0 204.273 2.498 50 0 BEAARN CC(C)Oc1cccc(CN2CCOCC2)c1 ZINC000051151155 167304465 /nfs/dbraw/zinc/30/44/65/167304465.db2.gz XFFXYXXEKOPIPT-UHFFFAOYSA-N 0 0 235.327 2.306 50 0 BEAARN CC(C)Sc1nnnn1Cc1cccs1 ZINC000040468475 167337977 /nfs/dbraw/zinc/33/79/77/167337977.db2.gz PFHHFABHSYJMTO-UHFFFAOYSA-N 0 0 240.357 2.283 50 0 BEAARN CC(C)c1cc(NC(=O)c2ccncc2)n[nH]1 ZINC000049044562 167575978 /nfs/dbraw/zinc/57/59/78/167575978.db2.gz JLRTXYZXJFNEBR-UHFFFAOYSA-N 0 0 230.271 2.180 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000044575026 411138080 /nfs/dbraw/zinc/13/80/80/411138080.db2.gz RKDGWGVZONGCQA-GZMMTYOYSA-N 0 0 243.266 2.331 50 0 BEAARN CC(C)C(=O)NCCCOc1ccccc1F ZINC000044891446 411141676 /nfs/dbraw/zinc/14/16/76/411141676.db2.gz YYJSRTMEXFAXSW-UHFFFAOYSA-N 0 0 239.290 2.367 50 0 BEAARN Cc1cc(NC(=O)N[C@@H](C)c2ccncc2)no1 ZINC000044889563 411142288 /nfs/dbraw/zinc/14/22/88/411142288.db2.gz USBXWOBIOJHSID-VIFPVBQESA-N 0 0 246.270 2.261 50 0 BEAARN Fc1cccc(CSc2nc[nH]n2)c1F ZINC000045560276 411147281 /nfs/dbraw/zinc/14/72/81/411147281.db2.gz CKDHDKBPROTUNV-UHFFFAOYSA-N 0 0 227.239 2.375 50 0 BEAARN CC(C)c1nnc(SCCCO)n1C1CC1 ZINC000069433785 167714287 /nfs/dbraw/zinc/71/42/87/167714287.db2.gz SHODEOAZBVFAJL-UHFFFAOYSA-N 0 0 241.360 2.211 50 0 BEAARN C(CCO[C@H]1CCCO1)CO[C@H]1CCCO1 ZINC000197904543 411123821 /nfs/dbraw/zinc/12/38/21/411123821.db2.gz IUTBSRFVMUCRTN-VXGBXAGGSA-N 0 0 230.304 2.073 50 0 BEAARN CC(C)n1cc(-c2nc([C@@H]3CCOC3)no2)cn1 ZINC000096161836 167740639 /nfs/dbraw/zinc/74/06/39/167740639.db2.gz HFDHHYMZHYFAGP-SECBINFHSA-N 0 0 248.286 2.018 50 0 BEAARN C[C@@H](NC(=O)OCC(F)(F)F)c1ccncc1 ZINC000048300889 411186653 /nfs/dbraw/zinc/18/66/53/411186653.db2.gz IXTOVYGLRSQHFZ-SSDOTTSWSA-N 0 0 248.204 2.431 50 0 BEAARN CCC[C@@H](C)NC(=O)Nc1cccnc1OC ZINC000048302003 411186843 /nfs/dbraw/zinc/18/68/43/411186843.db2.gz XZXBESVOFCCXBD-SECBINFHSA-N 0 0 237.303 2.400 50 0 BEAARN CCN(CC)c1ccc(NC(=O)C2CC2)cn1 ZINC000020371630 169803967 /nfs/dbraw/zinc/80/39/67/169803967.db2.gz ZWFHNGDKOTUAFD-UHFFFAOYSA-N 0 0 233.315 2.276 50 0 BEAARN CCN(CC)c1ccc(NC(C)=O)cc1 ZINC000000146479 169804354 /nfs/dbraw/zinc/80/43/54/169804354.db2.gz MBLHLTGHXCTWAO-UHFFFAOYSA-N 0 0 206.289 2.491 50 0 BEAARN O=C(NCc1cccs1)NCc1cccnc1 ZINC000048727678 411213729 /nfs/dbraw/zinc/21/37/29/411213729.db2.gz YQKZRLRXDYOVPI-UHFFFAOYSA-N 0 0 247.323 2.143 50 0 BEAARN CC(C)c1cc(NC(=O)c2ccco2)n[nH]1 ZINC000049044583 411223821 /nfs/dbraw/zinc/22/38/21/411223821.db2.gz MAIJMSMUVMAYTN-UHFFFAOYSA-N 0 0 219.244 2.378 50 0 BEAARN CCSc1ccc(NC(=O)CSC)cn1 ZINC000049479763 411236800 /nfs/dbraw/zinc/23/68/00/411236800.db2.gz GCOSYTVZUMTACD-UHFFFAOYSA-N 0 0 242.369 2.495 50 0 BEAARN CC/C=C(/C)C(=O)NCCc1nccs1 ZINC000050450977 167827885 /nfs/dbraw/zinc/82/78/85/167827885.db2.gz ZDHJNUVAEQSARK-WTKPLQERSA-N 0 0 224.329 2.158 50 0 BEAARN O=C(c1cc2ccccc2[nH]1)N1CCCC1 ZINC000012919870 411275901 /nfs/dbraw/zinc/27/59/01/411275901.db2.gz WYJPNUJRKBJZKM-UHFFFAOYSA-N 0 0 214.268 2.404 50 0 BEAARN CN(Cc1cccs1)C(=O)[C@@]1(C)C[C@@H]1F ZINC000335070648 411322247 /nfs/dbraw/zinc/32/22/47/411322247.db2.gz SEYZUBFZFBEDFP-ONGXEEELSA-N 0 0 227.304 2.455 50 0 BEAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(N)=O ZINC000027989622 168005052 /nfs/dbraw/zinc/00/50/52/168005052.db2.gz LGLPSKCJXYYLMZ-INEUFUBQSA-N 0 0 208.088 2.063 50 0 BEAARN CC1(C)[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]21 ZINC000098013445 168012584 /nfs/dbraw/zinc/01/25/84/168012584.db2.gz KYQOOIQRIRKMNX-AOOOYVTPSA-N 0 0 205.257 2.008 50 0 BEAARN CC1(CCc2nnc([C@@H]3CCOC3)[nH]2)CC1 ZINC000097602157 168022696 /nfs/dbraw/zinc/02/26/96/168022696.db2.gz NHKVTJCHDQSJDD-SECBINFHSA-N 0 0 221.304 2.041 50 0 BEAARN CC12CN3CC(C)(CN(C1)C3c1ccncc1)C2 ZINC000019331448 168073722 /nfs/dbraw/zinc/07/37/22/168073722.db2.gz UHPMKINRRZZUNP-UHFFFAOYSA-N 0 0 243.354 2.128 50 0 biogenic BEAARN CC1=C(C)[C@@]2(C)NC(=O)[C@]3(C)[C@@]2(C)[C@]13C ZINC000253595412 168087184 /nfs/dbraw/zinc/08/71/84/168087184.db2.gz DAMHKCOHRUYAPL-YVECIDJPSA-N 0 0 205.301 2.257 50 0 BEAARN CC1=CC(=O)N([C@H](C)c2ccsc2)C1=O ZINC000061363991 168092103 /nfs/dbraw/zinc/09/21/03/168092103.db2.gz UNVZTFXPQAANNM-MRVPVSSYSA-N 0 0 221.281 2.124 50 0 BEAARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(O)cc1c32 ZINC000002149855 168092618 /nfs/dbraw/zinc/09/26/18/168092618.db2.gz OWHKINNCJFAQPU-UHFFFAOYSA-N 0 0 243.262 2.117 50 0 biogenic BEAARN CC1=CC[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 ZINC000071785596 168120414 /nfs/dbraw/zinc/12/04/14/168120414.db2.gz NZRUDSFCUBXEEP-WDEREUQCSA-N 0 0 214.330 2.168 50 0 BEAARN CC1=CC[C@H]([NH2+][C@H]2CCCn3ncnc32)CC1 ZINC000242338955 168121979 /nfs/dbraw/zinc/12/19/79/168121979.db2.gz ZDUDSLQDDVRZIX-RYUDHWBXSA-N 0 0 232.331 2.201 50 0 BEAARN CC1=N/C(=C\c2cccc(F)c2)C(=O)O1 ZINC000005296570 168132534 /nfs/dbraw/zinc/13/25/34/168132534.db2.gz HMKQATJQXAJREQ-POHAHGRESA-N 0 0 205.188 2.142 50 0 BEAARN CC1=N/C(=C\c2cc(F)cc(F)c2)C(=O)O1 ZINC000000128201 168132844 /nfs/dbraw/zinc/13/28/44/168132844.db2.gz KWTSPKKTGXLFSH-WMZJFQQLSA-N 0 0 223.178 2.281 50 0 BEAARN CC1=NN(c2ccccc2)C(=O)C1(C)C ZINC000000295023 168135654 /nfs/dbraw/zinc/13/56/54/168135654.db2.gz MZYISAKYPPUWJG-UHFFFAOYSA-N 0 0 202.257 2.435 50 0 BEAARN CC1=NO[C@@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC000064555792 168135970 /nfs/dbraw/zinc/13/59/70/168135970.db2.gz OFSZLSGVEUKYHA-GFCCVEGCSA-N 0 0 246.310 2.198 50 0 BEAARN CC1CC(C(=O)N2CCS[C@@H](C)[C@@H]2C)C1 ZINC000084766866 168139135 /nfs/dbraw/zinc/13/91/35/168139135.db2.gz IJDTUOJQTXCTLD-SEQHWMEXSA-N 0 0 227.373 2.385 50 0 BEAARN CC1CCC(N(C)C(=O)[C@@H]2CCCO2)CC1 ZINC000032819181 168158639 /nfs/dbraw/zinc/15/86/39/168158639.db2.gz NDNNRWKQKJOMIP-MCIGGMRASA-N 0 0 225.332 2.203 50 0 BEAARN CC1CCC(NC(=O)/C=C/c2cnn(C)c2)CC1 ZINC000044868254 168159623 /nfs/dbraw/zinc/15/96/23/168159623.db2.gz GHERZNKYUAQVGA-VMPITWQZSA-N 0 0 247.342 2.128 50 0 BEAARN CC1CCN(C(=O)CCc2ccco2)CC1 ZINC000032819399 168170905 /nfs/dbraw/zinc/17/09/05/168170905.db2.gz WXNBMYFXKPCZFQ-UHFFFAOYSA-N 0 0 221.300 2.471 50 0 BEAARN CCC(=O)N(CC)c1cc(C)ccc1O ZINC000016286177 168212478 /nfs/dbraw/zinc/21/24/78/168212478.db2.gz LZFDEDDBBLIKRU-UHFFFAOYSA-N 0 0 207.273 2.464 50 0 BEAARN CCC(=O)N(CCOC)Cc1cccs1 ZINC000052843253 168213981 /nfs/dbraw/zinc/21/39/81/168213981.db2.gz KCXRDBHIKYARNN-UHFFFAOYSA-N 0 0 227.329 2.133 50 0 BEAARN CCC(=O)NCCCc1nc2ccccc2n1C ZINC000002601772 168228708 /nfs/dbraw/zinc/22/87/08/168228708.db2.gz ICSSYUNGHBUTSH-UHFFFAOYSA-N 0 0 245.326 2.032 50 0 BEAARN CCC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000067086374 168234370 /nfs/dbraw/zinc/23/43/70/168234370.db2.gz ALVCBKLPAKZVLL-NSHDSACASA-N 0 0 221.300 2.289 50 0 BEAARN CCC(=O)N[C@@H](C)c1ccccc1OC ZINC000049940556 168236269 /nfs/dbraw/zinc/23/62/69/168236269.db2.gz SNGIFPOGMAENKV-VIFPVBQESA-N 0 0 207.273 2.282 50 0 BEAARN CCC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000032843433 168236433 /nfs/dbraw/zinc/23/64/33/168236433.db2.gz RQDKAYWTNPUQIT-ZDUSSCGKSA-N 0 0 243.310 2.036 50 0 BEAARN CCC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000006730725 168236809 /nfs/dbraw/zinc/23/68/09/168236809.db2.gz ZQNPWUFSVXXMFD-VIFPVBQESA-N 0 0 207.273 2.282 50 0 BEAARN CCC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000089941769 168241516 /nfs/dbraw/zinc/24/15/16/168241516.db2.gz LHLGGXZHTCHQKJ-UHFFFAOYSA-N 0 0 215.256 2.425 50 0 BEAARN CCC(=O)Nc1cc2c(cc1C(C)=O)OCCO2 ZINC000003667514 168243053 /nfs/dbraw/zinc/24/30/53/168243053.db2.gz KKMQHNYYZJQPDS-UHFFFAOYSA-N 0 0 249.266 2.009 50 0 BEAARN CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000029066128 168246778 /nfs/dbraw/zinc/24/67/78/168246778.db2.gz NGHAAHBCZYXBOS-UHFFFAOYSA-N 0 0 232.287 2.361 50 0 BEAARN CCC(=O)Nc1ccccc1-c1nc(C)no1 ZINC000022462856 168246797 /nfs/dbraw/zinc/24/67/97/168246797.db2.gz SJCUOPZHEXQBPB-UHFFFAOYSA-N 0 0 231.255 2.394 50 0 BEAARN CCC(=O)Nc1nn(C)c2cccc(F)c21 ZINC000000114797 168249062 /nfs/dbraw/zinc/24/90/62/168249062.db2.gz CAWNPJKZOKHACT-UHFFFAOYSA-N 0 0 221.235 2.061 50 0 BEAARN CCC(=O)C1C(C)=NN(c2ccccc2)C1=O ZINC000005781268 168254143 /nfs/dbraw/zinc/25/41/43/168254143.db2.gz HXMPEMJPEGPOPB-UHFFFAOYSA-N 0 0 230.267 2.479 50 0 BEAARN CCC(=O)c1ccccc1-n1cccn1 ZINC000038251813 168259264 /nfs/dbraw/zinc/25/92/64/168259264.db2.gz GWKJMQIZQXISSV-UHFFFAOYSA-N 0 0 200.241 2.465 50 0 BEAARN CCC(C)(C)C(=O)Nc1nnc(C)s1 ZINC000000285396 168271066 /nfs/dbraw/zinc/27/10/66/168271066.db2.gz JAZNFKRWFMSUPU-UHFFFAOYSA-N 0 0 213.306 2.221 50 0 BEAARN CCC(C)(C)c1ccc(OCC(N)=O)cc1 ZINC000009777668 168305213 /nfs/dbraw/zinc/30/52/13/168305213.db2.gz RKFFNYXREXTJAA-UHFFFAOYSA-N 0 0 221.300 2.238 50 0 BEAARN CCN1C(=O)CS[C@@H]1c1ccccc1 ZINC000044124404 169945857 /nfs/dbraw/zinc/94/58/57/169945857.db2.gz VZFDRRJZWBSDAC-LLVKDONJSA-N 0 0 207.298 2.281 50 0 BEAARN CCN1C(=S)S[C@H]2N=C(C)S[C@@H]21 ZINC000003121928 169949529 /nfs/dbraw/zinc/94/95/29/169949529.db2.gz VTYKDLHVCGDXJY-RITPCOANSA-N 0 0 218.372 2.157 50 0 BEAARN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H](O)C2 ZINC000114828756 411503968 /nfs/dbraw/zinc/50/39/68/411503968.db2.gz GGTYYYZFCWRSSG-URLYPYJESA-N 0 0 241.331 2.299 50 0 BEAARN CCN1C[C@@H](COc2ccc(C)cc2)OC1=O ZINC000071773766 170030662 /nfs/dbraw/zinc/03/06/62/170030662.db2.gz XXBAQHMELHKEDA-LBPRGKRZSA-N 0 0 235.283 2.215 50 0 BEAARN CCn1cc2[nH]c3ccccc3cc-2c1=O ZINC000096026290 170040430 /nfs/dbraw/zinc/04/04/30/170040430.db2.gz YXPXTRXJJFISJP-UHFFFAOYSA-N 0 0 212.252 2.211 50 0 BEAARN CCNC(=O)NCC1(c2ccccc2OC)CC1 ZINC000069569609 170078470 /nfs/dbraw/zinc/07/84/70/170078470.db2.gz YNODKDLLAMEDHU-UHFFFAOYSA-N 0 0 248.326 2.046 50 0 BEAARN CCNC(=O)[C@@H](CC)OC1CCCCC1 ZINC000089941877 170089912 /nfs/dbraw/zinc/08/99/12/170089912.db2.gz PCLVLBRZIBRXLC-LLVKDONJSA-N 0 0 213.321 2.250 50 0 BEAARN CCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000008558555 170090262 /nfs/dbraw/zinc/09/02/62/170090262.db2.gz ZSSCBAYVGNQTKP-LLVKDONJSA-N 0 0 221.300 2.207 50 0 BEAARN CCNC(=O)[C@H](C)Sc1ccccc1 ZINC000000443612 170097050 /nfs/dbraw/zinc/09/70/50/170097050.db2.gz CKTULYXYWWQWEU-VIFPVBQESA-N 0 0 209.314 2.303 50 0 BEAARN CCNC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000045165534 170100558 /nfs/dbraw/zinc/10/05/58/170100558.db2.gz GLSKDGKJPPNQKY-UHFFFAOYSA-N 0 0 240.306 2.473 50 0 BEAARN CCNC(=O)c1ccc(OC(C)C)cc1 ZINC000008324140 170102880 /nfs/dbraw/zinc/10/28/80/170102880.db2.gz KLQKHHRCDSVUQP-UHFFFAOYSA-N 0 0 207.273 2.224 50 0 BEAARN CCNC(=O)c1cccc(Br)c1 ZINC000005456579 170103626 /nfs/dbraw/zinc/10/36/26/170103626.db2.gz BYCKUGXGVHIJFY-UHFFFAOYSA-N 0 0 228.089 2.199 50 0 BEAARN CCNC(=O)c1n[nH]c2c1C[C@H](C(C)(C)C)CC2 ZINC000075337232 170105354 /nfs/dbraw/zinc/10/53/54/170105354.db2.gz MEUCARWRMJXZPZ-SECBINFHSA-N 0 0 249.358 2.310 50 0 BEAARN CCNC(=S)NNc1ccc(C)cc1C ZINC000003261061 170106567 /nfs/dbraw/zinc/10/65/67/170106567.db2.gz LQEKTQRTMCYRCS-UHFFFAOYSA-N 0 0 223.345 2.114 50 0 BEAARN CCNC(=S)Nc1ccc(F)cc1F ZINC000000397699 170106733 /nfs/dbraw/zinc/10/67/33/170106733.db2.gz VWETUTNWDJXAMP-UHFFFAOYSA-N 0 0 216.256 2.271 50 0 BEAARN CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000002883399 170136056 /nfs/dbraw/zinc/13/60/56/170136056.db2.gz QOTDPUPOUQAKSU-UHFFFAOYSA-N 0 0 241.356 2.218 50 0 BEAARN CCNc1cc(Cl)nc(SC)n1 ZINC000001398319 170172738 /nfs/dbraw/zinc/17/27/38/170172738.db2.gz DSESJTDYBTVWQY-UHFFFAOYSA-N 0 0 203.698 2.284 50 0 BEAARN CCO/C=C1/N=C(c2ccc(C)cc2)OC1=O ZINC000005591940 170179560 /nfs/dbraw/zinc/17/95/60/170179560.db2.gz KVPONSNRADDPRX-DHZHZOJOSA-N 0 0 231.251 2.176 50 0 BEAARN CCOC(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000003895979 170184253 /nfs/dbraw/zinc/18/42/53/170184253.db2.gz JMLSOLASIDZFTF-UHFFFAOYSA-N 0 0 243.262 2.341 50 0 BEAARN CCOC(=O)C(=O)c1ccc2c(c1)CCCC2 ZINC000038342045 170184586 /nfs/dbraw/zinc/18/45/86/170184586.db2.gz FSFBUINHZSBSIG-UHFFFAOYSA-N 0 0 232.279 2.311 50 0 BEAARN CCOC(=O)C(=O)c1c(C)[nH]c2ccccc21 ZINC000001690320 170184828 /nfs/dbraw/zinc/18/48/28/170184828.db2.gz RDKVWTARRVILKC-UHFFFAOYSA-N 0 0 231.251 2.222 50 0 BEAARN CCOC(=O)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000004255787 170184846 /nfs/dbraw/zinc/18/48/46/170184846.db2.gz GSOLYJCSFYLVCS-UHFFFAOYSA-N 0 0 236.267 2.058 50 0 BEAARN CCOC(=O)C(C(=O)OCC)C1CCCCC1 ZINC000001678934 170185519 /nfs/dbraw/zinc/18/55/19/170185519.db2.gz FUOPELSDMOAUBM-UHFFFAOYSA-N 0 0 242.315 2.309 50 0 BEAARN CCOC(=O)CC(=O)[C@H](C)c1ccccc1 ZINC000038284060 170197020 /nfs/dbraw/zinc/19/70/20/170197020.db2.gz KSMHHMZHHCZPSP-SNVBAGLBSA-N 0 0 220.268 2.312 50 0 BEAARN CCOC(=O)CCC(=O)c1ccc(N(C)C)cc1 ZINC000034213664 170198889 /nfs/dbraw/zinc/19/88/89/170198889.db2.gz RXVGONBQPPYGOK-UHFFFAOYSA-N 0 0 249.310 2.279 50 0 BEAARN CCOC(=O)CCC(=O)c1ccccc1F ZINC000002378985 170198953 /nfs/dbraw/zinc/19/89/53/170198953.db2.gz NIHGNYNVGSYZIG-UHFFFAOYSA-N 0 0 224.231 2.352 50 0 BEAARN CCOC(=O)CCCC(=O)C(C)(C)C ZINC000002379042 170199004 /nfs/dbraw/zinc/19/90/04/170199004.db2.gz RXCGRTUSZXCZBY-UHFFFAOYSA-N 0 0 200.278 2.335 50 0 BEAARN CCOC(=O)CCC(C)(C)CC(=O)OCC ZINC000045071196 170199065 /nfs/dbraw/zinc/19/90/65/170199065.db2.gz SGGLTMFHZSMVIB-UHFFFAOYSA-N 0 0 230.304 2.309 50 0 BEAARN CCOC(=O)CCNc1ccc(F)cc1 ZINC000036985674 170209962 /nfs/dbraw/zinc/20/99/62/170209962.db2.gz YYSGZZDJIUQIMF-UHFFFAOYSA-N 0 0 211.236 2.191 50 0 BEAARN CCOC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000042635272 170216010 /nfs/dbraw/zinc/21/60/10/170216010.db2.gz NGAUZZFSEGBMCE-ZDUSSCGKSA-N 0 0 233.311 2.169 50 0 BEAARN CCOC(=O)CN1CCC[C@@H]1c1ccsc1 ZINC000065624326 170218880 /nfs/dbraw/zinc/21/88/80/170218880.db2.gz ARKPDSSPTOQELQ-LLVKDONJSA-N 0 0 239.340 2.448 50 0 BEAARN CCOC(=O)CN1CCCC[C@H]1c1cccnc1 ZINC000061989698 170219344 /nfs/dbraw/zinc/21/93/44/170219344.db2.gz KXYPOEDEFIOOHR-ZDUSSCGKSA-N 0 0 248.326 2.172 50 0 biogenic BEAARN CCOC(=O)CN1CCCC[C@@H]1c1cccnc1 ZINC000061989697 170219538 /nfs/dbraw/zinc/21/95/38/170219538.db2.gz KXYPOEDEFIOOHR-CYBMUJFWSA-N 0 0 248.326 2.172 50 0 biogenic BEAARN CCOC(=O)CNc1ccc(Cl)cc1 ZINC000001732044 170227329 /nfs/dbraw/zinc/22/73/29/170227329.db2.gz ZNVVKZDSSWMTGQ-UHFFFAOYSA-N 0 0 213.664 2.315 50 0 BEAARN CCOC(=O)COc1cc(Cl)ccc1F ZINC000075880773 170228671 /nfs/dbraw/zinc/22/86/71/170228671.db2.gz QXIYHHNMVIGDOF-UHFFFAOYSA-N 0 0 232.638 2.421 50 0 BEAARN CCOC(=O)COc1ccc(C)c2c1CCC2 ZINC000004336035 170228858 /nfs/dbraw/zinc/22/88/58/170228858.db2.gz WISKQBAKYBNDPB-UHFFFAOYSA-N 0 0 234.295 2.426 50 0 BEAARN CCOC(=O)COc1cc(C)cc(C)c1 ZINC000002549399 170228925 /nfs/dbraw/zinc/22/89/25/170228925.db2.gz MHZVZOKBGRVMIN-UHFFFAOYSA-N 0 0 208.257 2.245 50 0 BEAARN CCOC(=O)COc1cccc(Cl)c1 ZINC000000151729 170229433 /nfs/dbraw/zinc/22/94/33/170229433.db2.gz HBPWQKZOBIRMFA-UHFFFAOYSA-N 0 0 214.648 2.282 50 0 BEAARN CCOC(=O)COc1ccccc1-c1ccno1 ZINC000000482018 170229455 /nfs/dbraw/zinc/22/94/55/170229455.db2.gz KQKQDESNIIVFAK-UHFFFAOYSA-N 0 0 247.250 2.284 50 0 BEAARN CCOC(=O)CSc1nc2ccccc2[nH]1 ZINC000000060651 170229737 /nfs/dbraw/zinc/22/97/37/170229737.db2.gz TZMSMSYMMHOSOE-UHFFFAOYSA-N 0 0 236.296 2.218 50 0 BEAARN CCOC(=O)C[C@@H](C)Nc1ccccc1 ZINC000034076797 170231252 /nfs/dbraw/zinc/23/12/52/170231252.db2.gz YBISWBSFVLJVLN-SNVBAGLBSA-N 0 0 207.273 2.440 50 0 BEAARN CCOC(=O)Cc1cc(F)cc(C)c1F ZINC000263623665 170235252 /nfs/dbraw/zinc/23/52/52/170235252.db2.gz JMIQUAPQTDBGJS-UHFFFAOYSA-N 0 0 214.211 2.379 50 0 BEAARN CCOC(=O)Cc1cc(OC)c(F)cc1F ZINC000260218900 170235378 /nfs/dbraw/zinc/23/53/78/170235378.db2.gz RNUPNJVTAAVUFV-UHFFFAOYSA-N 0 0 230.210 2.079 50 0 BEAARN CCOC(=O)Cc1ccc2ccccc2n1 ZINC000039235540 170236111 /nfs/dbraw/zinc/23/61/11/170236111.db2.gz OQQYMAOGIWMABG-UHFFFAOYSA-N 0 0 215.252 2.340 50 0 BEAARN CCOC(=O)Cc1nc(C(F)(F)F)cs1 ZINC000035739953 170236124 /nfs/dbraw/zinc/23/61/24/170236124.db2.gz CURBFAAXYYCLQH-UHFFFAOYSA-N 0 0 239.218 2.268 50 0 BEAARN CCOC(=O)Cc1nc2ccccc2nc1C ZINC000000052997 170237330 /nfs/dbraw/zinc/23/73/30/170237330.db2.gz ZTJBBLDJQXJLCI-UHFFFAOYSA-N 0 0 230.267 2.044 50 0 BEAARN CCOC(=O)Cn1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C ZINC000000337560 170237601 /nfs/dbraw/zinc/23/76/01/170237601.db2.gz BZXRYLCGBSWIIS-NOZJJQNGSA-N 0 0 248.326 2.050 50 0 biogenic BEAARN CCOC(=O)N[C@@H](C)Cc1ccccc1 ZINC000000184597 170242289 /nfs/dbraw/zinc/24/22/89/170242289.db2.gz ZLJPEGDLROEOBC-JTQLQIEISA-N 0 0 207.273 2.364 50 0 BEAARN CCOC(=O)NC[C@H](OC)c1ccccc1C ZINC000096104900 170242722 /nfs/dbraw/zinc/24/27/22/170242722.db2.gz HLEANHNMLHUQDF-LBPRGKRZSA-N 0 0 237.299 2.429 50 0 BEAARN CCOC(=O)Nc1ccc(C(C)=O)cc1 ZINC000001665850 170243658 /nfs/dbraw/zinc/24/36/58/170243658.db2.gz YAVJICIKBWUEAJ-UHFFFAOYSA-N 0 0 207.229 2.458 50 0 BEAARN CCOC(=O)N=c1[nH]c2ccc(N)cc2s1 ZINC000019401638 170243740 /nfs/dbraw/zinc/24/37/40/170243740.db2.gz BYHHBCFFWHVHDZ-UHFFFAOYSA-N 0 0 237.284 2.447 50 0 BEAARN CCOC(=O)Nc1cccc(NC(C)=O)c1 ZINC000013327589 170244112 /nfs/dbraw/zinc/24/41/12/170244112.db2.gz KZVOSWGZVBGVRS-UHFFFAOYSA-N 0 0 222.244 2.213 50 0 BEAARN CCOC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000005440635 170244220 /nfs/dbraw/zinc/24/42/20/170244220.db2.gz REWYJOVCCMQOJW-UHFFFAOYSA-N 0 0 248.282 2.382 50 0 BEAARN CCOC(=O)OCC(F)(F)C(F)(F)F ZINC000015443008 170244445 /nfs/dbraw/zinc/24/44/45/170244445.db2.gz NBYIBDCXTMTKLX-UHFFFAOYSA-N 0 0 222.109 2.357 50 0 BEAARN CCOC(=O)[C@@H](C)CC1CCOCC1 ZINC000095829233 170245208 /nfs/dbraw/zinc/24/52/08/170245208.db2.gz CQSBWIZPUJXIKT-VIFPVBQESA-N 0 0 200.278 2.002 50 0 BEAARN CCOC(=O)[C@@H](CC)Sc1ncco1 ZINC000233671882 170251187 /nfs/dbraw/zinc/25/11/87/170251187.db2.gz ACJHGTDKKXTPGQ-SSDOTTSWSA-N 0 0 215.274 2.108 50 0 BEAARN CCOC(=O)[C@@H](Cc1ccc(F)cc1)C(C)=O ZINC000001403707 170253071 /nfs/dbraw/zinc/25/30/71/170253071.db2.gz FPUWDEBQJSMTIY-LBPRGKRZSA-N 0 0 238.258 2.137 50 0 BEAARN CCOC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000003112114 170254771 /nfs/dbraw/zinc/25/47/71/170254771.db2.gz DUYTUNJNNLBNMT-LBPRGKRZSA-N 0 0 249.310 2.004 50 0 BEAARN CCOC(=O)[C@@H](O)[C@H](C)c1c[nH]c2ccccc21 ZINC000044122716 170256658 /nfs/dbraw/zinc/25/66/58/170256658.db2.gz BIFYNMVQOPJLSO-RNCFNFMXSA-N 0 0 247.294 2.195 50 0 BEAARN CCOC(=O)[C@@H]1CNc2cc(Cl)ccc2O1 ZINC000001395438 170259741 /nfs/dbraw/zinc/25/97/41/170259741.db2.gz YQUPYAAIKGIVAV-JTQLQIEISA-N 0 0 241.674 2.076 50 0 BEAARN CCOC(=O)[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC000067910641 170267462 /nfs/dbraw/zinc/26/74/62/170267462.db2.gz VRFPFDNXSDOUIR-MNOVXSKESA-N 0 0 243.347 2.127 50 0 BEAARN CCOC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000055279099 170268971 /nfs/dbraw/zinc/26/89/71/170268971.db2.gz ZGFMBUHREWMBOI-VIFPVBQESA-N 0 0 224.256 2.026 50 0 BEAARN CCOC(=O)[C@H](C)n1nc(C)c(CC)c1C ZINC000047218795 170270570 /nfs/dbraw/zinc/27/05/70/170270570.db2.gz YTGIDAVTNPREAJ-JTQLQIEISA-N 0 0 224.304 2.186 50 0 BEAARN CCOC(=O)[C@H](CC(C)C)NCC(F)(F)F ZINC000037973883 170270770 /nfs/dbraw/zinc/27/07/70/170270770.db2.gz XUDJHSSJGMTCBT-QMMMGPOBSA-N 0 0 241.253 2.116 50 0 BEAARN CCOC(=O)[C@H](Cc1ccccc1C)C(C)=O ZINC000034594981 170273836 /nfs/dbraw/zinc/27/38/36/170273836.db2.gz XBKZCOOJZSZDOB-CYBMUJFWSA-N 0 0 234.295 2.306 50 0 BEAARN CCOC(=O)[C@H](C[Si](C)(C)C)C(C)=O ZINC000169795085 170273929 /nfs/dbraw/zinc/27/39/29/170273929.db2.gz GITWIISZAZCPJE-SECBINFHSA-N 0 0 216.353 2.093 50 0 BEAARN CCOC(=O)[C@H](O)[C@@H](C)c1c[nH]c2ccccc21 ZINC000044122700 170278087 /nfs/dbraw/zinc/27/80/87/170278087.db2.gz BIFYNMVQOPJLSO-TVQRCGJNSA-N 0 0 247.294 2.195 50 0 BEAARN CCOC(=O)c1c(C)[nH]c2c1CCCC2 ZINC000009942919 170287518 /nfs/dbraw/zinc/28/75/18/170287518.db2.gz KIJNMEYGCXHNRS-UHFFFAOYSA-N 0 0 207.273 2.379 50 0 BEAARN CCOC(=O)c1c(C)nc2cc(C)ccn21 ZINC000000047740 170288054 /nfs/dbraw/zinc/28/80/54/170288054.db2.gz CQNUHMHESISBRX-UHFFFAOYSA-N 0 0 218.256 2.128 50 0 BEAARN CCOC(=O)c1c(C)oc2c1C(=O)CCC2 ZINC000022126453 170288149 /nfs/dbraw/zinc/28/81/49/170288149.db2.gz CIAJETLBWXWCLU-UHFFFAOYSA-N 0 0 222.240 2.284 50 0 BEAARN CCOC(=O)c1c(C)n(C2CC2)c(C)c1C=O ZINC000002509364 170288356 /nfs/dbraw/zinc/28/83/56/170288356.db2.gz RVFNMIRKPZAHOV-UHFFFAOYSA-N 0 0 235.283 2.429 50 0 BEAARN CCOC(=O)c1cc(-c2ccc(F)cc2)nn1C ZINC000015442874 170289787 /nfs/dbraw/zinc/28/97/87/170289787.db2.gz XGXNILPHEHLPMZ-UHFFFAOYSA-N 0 0 248.257 2.403 50 0 BEAARN CCOC(=O)c1cc(Br)ccc1O ZINC000000265717 170290864 /nfs/dbraw/zinc/29/08/64/170290864.db2.gz OGILVZCKMMXBJI-UHFFFAOYSA-N 0 0 245.072 2.331 50 0 biogenic BEAARN CCOC(=O)c1cc(CC)nc2onc(C)c21 ZINC000012399104 170291694 /nfs/dbraw/zinc/29/16/94/170291694.db2.gz CIDNJWQOJHLSPX-UHFFFAOYSA-N 0 0 234.255 2.270 50 0 BEAARN CCOC(=O)c1cc(F)c(F)c(F)c1 ZINC000043503702 170292103 /nfs/dbraw/zinc/29/21/03/170292103.db2.gz UWHPRVLGRIWCQQ-UHFFFAOYSA-N 0 0 204.147 2.281 50 0 BEAARN CCOC(=O)c1cc2cccnc2s1 ZINC000004271721 170293500 /nfs/dbraw/zinc/29/35/00/170293500.db2.gz LDFDUMUSLKWQIQ-UHFFFAOYSA-N 0 0 207.254 2.473 50 0 BEAARN CCOC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000015684360 170293855 /nfs/dbraw/zinc/29/38/55/170293855.db2.gz HYFAOIAKHGVBMX-UHFFFAOYSA-N 0 0 219.240 2.353 50 0 BEAARN CCOC(=O)c1ccc(Br)cn1 ZINC000002559913 170294533 /nfs/dbraw/zinc/29/45/33/170294533.db2.gz MVJPVDSRSXLJNQ-UHFFFAOYSA-N 0 0 230.061 2.021 50 0 BEAARN CCOC(=O)c1ccc(OC(F)F)cc1 ZINC000032911426 170296714 /nfs/dbraw/zinc/29/67/14/170296714.db2.gz DDRAFABMUFWMMW-UHFFFAOYSA-N 0 0 216.183 2.465 50 0 BEAARN CCOC(=O)c1ccc2ncccc2c1 ZINC000013282938 170298345 /nfs/dbraw/zinc/29/83/45/170298345.db2.gz SVHHAAQTOHCWJX-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1ccc2cccnc2c1 ZINC000004773471 170298939 /nfs/dbraw/zinc/29/89/39/170298939.db2.gz PPZOEUCJAYRMHY-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1cccc2ncccc21 ZINC000000298340 170299581 /nfs/dbraw/zinc/29/95/81/170299581.db2.gz ZNPJEEKRBNYZQQ-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1cnc2cccnc2c1Cl ZINC000034308078 170302172 /nfs/dbraw/zinc/30/21/72/170302172.db2.gz ZAUJIZUBUCDAEU-UHFFFAOYSA-N 0 0 236.658 2.460 50 0 BEAARN CCOC(=O)c1cnc2ccccc2c1 ZINC000000340843 170302819 /nfs/dbraw/zinc/30/28/19/170302819.db2.gz OTTDACPMYLDVTL-UHFFFAOYSA-N 0 0 201.225 2.412 50 0 BEAARN CCOC(=O)c1nc(C)sc1-c1cc[nH]n1 ZINC000000123761 170306844 /nfs/dbraw/zinc/30/68/44/170306844.db2.gz KPKSGPQGVHATHY-UHFFFAOYSA-N 0 0 237.284 2.018 50 0 BEAARN CCOC(=O)c1ncoc1-c1scnc1C ZINC000043304381 170308516 /nfs/dbraw/zinc/30/85/16/170308516.db2.gz OIZCQZBBMPYVLN-UHFFFAOYSA-N 0 0 238.268 2.283 50 0 BEAARN CCOC(=O)c1nnc(-c2ccc(C)cc2)o1 ZINC000091692028 170309043 /nfs/dbraw/zinc/30/90/43/170309043.db2.gz LCSNENGYBUHMCF-UHFFFAOYSA-N 0 0 232.239 2.222 50 0 BEAARN CCOC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000043179024 170310058 /nfs/dbraw/zinc/31/00/58/170310058.db2.gz LOCJRPXLTCICKU-UHFFFAOYSA-N 0 0 236.202 2.052 50 0 BEAARN CCOC(=O)c1sc(Cl)nc1C ZINC000004287782 170310513 /nfs/dbraw/zinc/31/05/13/170310513.db2.gz VUARUZUFHDNJSY-UHFFFAOYSA-N 0 0 205.666 2.282 50 0 BEAARN CCOC(=O)c1snnc1-c1ccccc1 ZINC000000159328 170310812 /nfs/dbraw/zinc/31/08/12/170310812.db2.gz MGNPWNGXBGYBQJ-UHFFFAOYSA-N 0 0 234.280 2.382 50 0 BEAARN CCOC(=O)c1sc(N2CCCC2)nc1C ZINC000013366029 170310863 /nfs/dbraw/zinc/31/08/63/170310863.db2.gz TTXFULTVAWSAME-UHFFFAOYSA-N 0 0 240.328 2.228 50 0 BEAARN CCOC(=O)n1c2ccccc2c(N)c1C(C)=O ZINC000043190981 170311933 /nfs/dbraw/zinc/31/19/33/170311933.db2.gz OTBIRPFLHHKNJU-UHFFFAOYSA-N 0 0 246.266 2.431 50 0 BEAARN CCOC(CC(OCC)OCC)OCC ZINC000001747949 170315060 /nfs/dbraw/zinc/31/50/60/170315060.db2.gz KVJHGPAAOUGYJX-UHFFFAOYSA-N 0 0 220.309 2.175 50 0 BEAARN CCOC(Cn1nc(C)c(CC)c1C)OCC ZINC000066324247 170315963 /nfs/dbraw/zinc/31/59/63/170315963.db2.gz FPFZYYLOMPTRIM-UHFFFAOYSA-N 0 0 240.347 2.461 50 0 BEAARN CCOCCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000096423519 170361895 /nfs/dbraw/zinc/36/18/95/170361895.db2.gz PVMMYHAUPJJPDX-QWHCGFSZSA-N 0 0 239.359 2.498 50 0 BEAARN CCOCCC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000096423520 170363043 /nfs/dbraw/zinc/36/30/43/170363043.db2.gz PVMMYHAUPJJPDX-STQMWFEESA-N 0 0 239.359 2.498 50 0 BEAARN CCOCCCC(=O)Nc1ccc(O)cc1C ZINC000085810780 170366304 /nfs/dbraw/zinc/36/63/04/170366304.db2.gz QHAFEAPPPVTUOD-UHFFFAOYSA-N 0 0 237.299 2.456 50 0 BEAARN CCOCCOc1ccc(Br)nc1 ZINC000181691249 170422915 /nfs/dbraw/zinc/42/29/15/170422915.db2.gz NHBJCTSAFFEMDY-UHFFFAOYSA-N 0 0 246.104 2.259 50 0 BEAARN CCOC[C@H](O)COc1cccc2cccnc21 ZINC000193819821 170454935 /nfs/dbraw/zinc/45/49/35/170454935.db2.gz SCTHIIZPPSMPGM-LBPRGKRZSA-N 0 0 247.294 2.011 50 0 BEAARN CCOCn1c2ccc(Cl)cc2oc1=O ZINC000002274102 170461079 /nfs/dbraw/zinc/46/10/79/170461079.db2.gz UFNDUPDGWRQJQC-UHFFFAOYSA-N 0 0 227.647 2.242 50 0 BEAARN CCOc1cc(-c2ccccc2)nc(N)n1 ZINC000000040667 170515670 /nfs/dbraw/zinc/51/56/70/170515670.db2.gz YPEHVZHWDUELGC-UHFFFAOYSA-N 0 0 215.256 2.125 50 0 BEAARN CCOc1ccc(-c2cc(C(=O)OC)n[nH]2)cc1 ZINC000004383836 170530812 /nfs/dbraw/zinc/53/08/12/170530812.db2.gz JMEPAPLKSXTCMF-UHFFFAOYSA-N 0 0 246.266 2.262 50 0 BEAARN CCOc1ccc(C(=O)N(CC)C2CC2)cn1 ZINC000070037902 170536821 /nfs/dbraw/zinc/53/68/21/170536821.db2.gz KFQCJJVINBUKDU-UHFFFAOYSA-N 0 0 234.299 2.105 50 0 BEAARN CCOc1ncccc1NC(=O)c1cccnc1 ZINC000027587720 170605257 /nfs/dbraw/zinc/60/52/57/170605257.db2.gz FTNCUFWFAIMBGG-UHFFFAOYSA-N 0 0 243.266 2.128 50 0 BEAARN CCOc1nn(C)c2ccc(NC(=O)CC)cc21 ZINC000227164232 170605309 /nfs/dbraw/zinc/60/53/09/170605309.db2.gz IRHROAWQUGCSGF-UHFFFAOYSA-N 0 0 247.298 2.321 50 0 BEAARN CCSCCN1C(=O)CC(CC)(CC)C1=O ZINC000095993920 170630903 /nfs/dbraw/zinc/63/09/03/170630903.db2.gz XJHCCVWWEDFNJC-UHFFFAOYSA-N 0 0 243.372 2.305 50 0 BEAARN CCSc1nnc([C@@H](N)CC(C)C)o1 ZINC000005069921 170658470 /nfs/dbraw/zinc/65/84/70/170658470.db2.gz PKYKSQZHJQFFBY-ZETCQYMHSA-N 0 0 215.322 2.228 50 0 BEAARN CC[C@@H](C)C(=O)NCc1ccccc1COC ZINC000036394861 170681108 /nfs/dbraw/zinc/68/11/08/170681108.db2.gz WQXVOPBPLHYTSD-LLVKDONJSA-N 0 0 235.327 2.495 50 0 BEAARN Cc1cc(OCc2cc(C3CC3)no2)nn1C ZINC000663983564 411801067 /nfs/dbraw/zinc/80/10/67/411801067.db2.gz HPKSJGNUFIRZCL-UHFFFAOYSA-N 0 0 233.271 2.173 50 0 BEAARN CC[C@@H](C)NC(=O)Cc1ccc(C)cc1 ZINC000000578082 170741539 /nfs/dbraw/zinc/74/15/39/170741539.db2.gz FQMPCKQIRZULPV-LLVKDONJSA-N 0 0 205.301 2.452 50 0 BEAARN CC[C@@H](C)NS(=O)(=O)Cc1cccc(C)c1 ZINC000016577710 170755010 /nfs/dbraw/zinc/75/50/10/170755010.db2.gz BJIUKLHUGKLLGK-LLVKDONJSA-N 0 0 241.356 2.213 50 0 BEAARN CC[C@@H](O)Cn1nc(C(C)C)nc1C(C)(C)C ZINC000095497918 170937523 /nfs/dbraw/zinc/93/75/23/170937523.db2.gz IJCIVFDIWZHQQC-SNVBAGLBSA-N 0 0 239.363 2.470 50 0 BEAARN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000069476397 171067192 /nfs/dbraw/zinc/06/71/92/171067192.db2.gz HGJKZGGZDSJORL-SECBINFHSA-N 0 0 227.304 2.223 50 0 BEAARN CC[C@@H]1CN(C(=O)Nc2ccccc2)CCO1 ZINC000032779457 171067363 /nfs/dbraw/zinc/06/73/63/171067363.db2.gz KPOZWHAIJAZNPA-GFCCVEGCSA-N 0 0 234.299 2.329 50 0 BEAARN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1COc2ccccc21 ZINC000170627004 171139285 /nfs/dbraw/zinc/13/92/85/171139285.db2.gz WOFIRLDXWZDIPP-YUSALJHKSA-N 0 0 231.295 2.077 50 0 BEAARN CC[C@H](C(=O)N[C@@H](C)COC)c1ccccc1 ZINC000002739445 171232231 /nfs/dbraw/zinc/23/22/31/171232231.db2.gz XVBFXHJPAUEZEI-AAEUAGOBSA-N 0 0 235.327 2.331 50 0 BEAARN CC[C@H](C)C(=O)NCCCn1nc(C)cc1C ZINC000055312432 171250900 /nfs/dbraw/zinc/25/09/00/171250900.db2.gz KKWAUGGIMNWORT-JTQLQIEISA-N 0 0 237.347 2.052 50 0 BEAARN CC[C@H](C)C(=O)Nc1ccc(OC)nc1 ZINC000012537898 171255483 /nfs/dbraw/zinc/25/54/83/171255483.db2.gz URKZJDXDWQXZPM-QMMMGPOBSA-N 0 0 208.261 2.075 50 0 BEAARN CC[C@H](C)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033670388 171321809 /nfs/dbraw/zinc/32/18/09/171321809.db2.gz TUZSOGIKSSQALH-BXKUYDPTSA-N 0 0 247.294 2.343 50 0 BEAARN CC[C@H](C)NC(=O)CCc1c(C)noc1C ZINC000044715672 171323567 /nfs/dbraw/zinc/32/35/67/171323567.db2.gz GRRVHROCOFTYOJ-QMMMGPOBSA-N 0 0 224.304 2.139 50 0 BEAARN CC[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC000012977007 171327499 /nfs/dbraw/zinc/32/74/99/171327499.db2.gz QPFNELFGWJSJGL-VIFPVBQESA-N 0 0 225.263 2.119 50 0 BEAARN CC[C@H](C)NC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000020573114 171329297 /nfs/dbraw/zinc/32/92/97/171329297.db2.gz FKAUWSRENDMFMI-MXWKQRLJSA-N 0 0 212.337 2.472 50 0 BEAARN CC[C@H](C)NC(=O)NCc1ccccc1 ZINC000010277339 171330199 /nfs/dbraw/zinc/33/01/99/171330199.db2.gz BXLJGDWVRRHQKX-JTQLQIEISA-N 0 0 206.289 2.284 50 0 BEAARN CC[C@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000000218095 171333878 /nfs/dbraw/zinc/33/38/78/171333878.db2.gz KZLUGLBSRLDCHB-GXSJLCMTSA-N 0 0 246.310 2.027 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000012853801 171336420 /nfs/dbraw/zinc/33/64/20/171336420.db2.gz HVQWPFLCLMMRFW-NSHDSACASA-N 0 0 243.310 2.401 50 0 BEAARN CC[C@H](C)NC(=O)c1ccc(F)cc1F ZINC000023119837 171337492 /nfs/dbraw/zinc/33/74/92/171337492.db2.gz CORSVMYPTOHKSX-ZETCQYMHSA-N 0 0 213.227 2.493 50 0 BEAARN CC[C@H](C)NC(=O)c1cccnc1Cl ZINC000006121007 171338345 /nfs/dbraw/zinc/33/83/45/171338345.db2.gz QFLXUEXNFXGGKP-ZETCQYMHSA-N 0 0 212.680 2.263 50 0 BEAARN CC[C@H](C)Nc1c(=O)c(=O)c1-c1ccc(C)cc1 ZINC000006749068 171349915 /nfs/dbraw/zinc/34/99/15/171349915.db2.gz OBHLOOKIVWMVSK-JTQLQIEISA-N 0 0 243.306 2.468 50 0 BEAARN CC[C@H](C)Nc1ncnc2c(C)nn(CC)c21 ZINC000057312366 171350730 /nfs/dbraw/zinc/35/07/30/171350730.db2.gz BBCXNRUNTBOLPP-QMMMGPOBSA-N 0 0 233.319 2.365 50 0 BEAARN CC[C@H](C)[C@@H](CO)CNC(=O)OC(C)(C)C ZINC000091690228 171369679 /nfs/dbraw/zinc/36/96/79/171369679.db2.gz MXVCFABRFLLSSB-VHSXEESVSA-N 0 0 231.336 2.166 50 0 BEAARN Cc1noc(C)c1-c1cc2ncn(C)c2cn1 ZINC000665148079 412111385 /nfs/dbraw/zinc/11/13/85/412111385.db2.gz GFPKGWPJTXKALD-UHFFFAOYSA-N 0 0 228.255 2.240 50 0 BEAARN CC[C@](CNC(=O)OC)(OC)c1ccccc1 ZINC000096123675 171709556 /nfs/dbraw/zinc/70/95/56/171709556.db2.gz ZMIQNLCVRNTZHP-CYBMUJFWSA-N 0 0 237.299 2.294 50 0 BEAARN CCc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)o1 ZINC000046437208 171785037 /nfs/dbraw/zinc/78/50/37/171785037.db2.gz WLRMJTPTUDAEKF-VHSXEESVSA-N 0 0 237.299 2.091 50 0 BEAARN CCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000008447645 171828225 /nfs/dbraw/zinc/82/82/25/171828225.db2.gz BXWYBSZNSQLBHN-UHFFFAOYSA-N 0 0 241.356 2.183 50 0 BEAARN CCc1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000020106404 171891113 /nfs/dbraw/zinc/89/11/13/171891113.db2.gz VIMMKWAOZXAEQJ-SNVBAGLBSA-N 0 0 233.311 2.295 50 0 BEAARN CCc1nc(CN2CCC(OC)CC2)cs1 ZINC000042623865 171977570 /nfs/dbraw/zinc/97/75/70/171977570.db2.gz NIJUJCBRVJXEAY-UHFFFAOYSA-N 0 0 240.372 2.316 50 0 BEAARN CCc1nc(CN[C@@H](C)c2ccc(C)o2)no1 ZINC000097373965 171986926 /nfs/dbraw/zinc/98/69/26/171986926.db2.gz YSOUQIFDAXGCKC-VIFPVBQESA-N 0 0 235.287 2.384 50 0 BEAARN CCc1nc([C@H]2CCCO2)sc1C(=O)OC ZINC000136489094 172009470 /nfs/dbraw/zinc/00/94/70/172009470.db2.gz JIRGPAHPKFWLGB-MRVPVSSYSA-N 0 0 241.312 2.344 50 0 BEAARN CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000016944828 172014754 /nfs/dbraw/zinc/01/47/54/172014754.db2.gz CHYVJDICXWIFSO-UHFFFAOYSA-N 0 0 234.324 2.426 50 0 BEAARN CCc1ncc(C(=O)NC(C)(C)C)s1 ZINC000049157917 172016101 /nfs/dbraw/zinc/01/61/01/172016101.db2.gz GQYHRIDUKUMDMH-UHFFFAOYSA-N 0 0 212.318 2.234 50 0 BEAARN CCc1ncc2c(NCc3ccco3)nccn12 ZINC000065240152 172023559 /nfs/dbraw/zinc/02/35/59/172023559.db2.gz GBAMAVUSYNTMEY-UHFFFAOYSA-N 0 0 242.282 2.497 50 0 BEAARN CCc1nnc(N(C)Cc2cc(C)cc(C)n2)o1 ZINC000095360584 172056599 /nfs/dbraw/zinc/05/65/99/172056599.db2.gz ZHBUOVDQWWPCAM-UHFFFAOYSA-N 0 0 246.314 2.280 50 0 BEAARN CCc1nnc(NC(=O)c2cccs2)s1 ZINC000000187521 172059437 /nfs/dbraw/zinc/05/94/37/172059437.db2.gz ANQRKABCVGPWKY-UHFFFAOYSA-N 0 0 239.325 2.414 50 0 BEAARN CCc1nnc2sc(-c3cccs3)nn12 ZINC000004857168 172068860 /nfs/dbraw/zinc/06/88/60/172068860.db2.gz AUXNRKGAJQMDGW-UHFFFAOYSA-N 0 0 236.325 2.477 50 0 BEAARN CCc1noc(C)c1-c1nc([C@H]2CCOC2)no1 ZINC000096131275 172073886 /nfs/dbraw/zinc/07/38/86/172073886.db2.gz BOFBKVPMFLAQCZ-QMMMGPOBSA-N 0 0 249.270 2.099 50 0 BEAARN CCc1noc(C)c1C(=O)N(CC)CC ZINC000058306142 172074550 /nfs/dbraw/zinc/07/45/50/172074550.db2.gz RCKZIVAVGLBEMG-UHFFFAOYSA-N 0 0 210.277 2.027 50 0 BEAARN CCc1noc(CN2CCCC[C@H]2CC)n1 ZINC000058283195 172085203 /nfs/dbraw/zinc/08/52/03/172085203.db2.gz RPKPDZWWELXKDR-SNVBAGLBSA-N 0 0 223.320 2.397 50 0 BEAARN CCc1noc([C@H](C)Nc2cnn(CC)c2)n1 ZINC000097139942 172091844 /nfs/dbraw/zinc/09/18/44/172091844.db2.gz BDOIKVSINVPELC-QMMMGPOBSA-N 0 0 235.291 2.022 50 0 BEAARN CCc1noc([C@H](C)Sc2ncc[nH]2)n1 ZINC000078931883 172092033 /nfs/dbraw/zinc/09/20/33/172092033.db2.gz DEBCGJJHNZQYMI-LURJTMIESA-N 0 0 224.289 2.208 50 0 BEAARN CCc1nonc1NC(=O)c1ccccc1F ZINC000009200330 172103682 /nfs/dbraw/zinc/10/36/82/172103682.db2.gz FAFJFEHFXBWXHB-UHFFFAOYSA-N 0 0 235.218 2.023 50 0 BEAARN CCn1c(C(=O)OC)cc2oc(C)cc21 ZINC000005135014 172133630 /nfs/dbraw/zinc/13/36/30/172133630.db2.gz XLROFFIDDFBCIS-UHFFFAOYSA-N 0 0 207.229 2.349 50 0 BEAARN CCn1cc(CCC(=O)NC2CCCC2)c(C)n1 ZINC000028575460 172158403 /nfs/dbraw/zinc/15/84/03/172158403.db2.gz MGBTZZLNYPSSAM-UHFFFAOYSA-N 0 0 249.358 2.203 50 0 BEAARN CCn1cc(CN(C)C(=O)c2ccoc2C)cn1 ZINC000028221987 172159986 /nfs/dbraw/zinc/15/99/86/172159986.db2.gz AEEVAZYUVLEDLD-UHFFFAOYSA-N 0 0 247.298 2.077 50 0 BEAARN CCn1cc(CCn2cnc3ccccc32)cn1 ZINC000328591141 172160045 /nfs/dbraw/zinc/16/00/45/172160045.db2.gz SXKICACNQCIRMD-UHFFFAOYSA-N 0 0 240.310 2.495 50 0 BEAARN CCn1cc(NC(=O)C[C@H]2C=CCC2)ccc1=O ZINC000047181527 172179626 /nfs/dbraw/zinc/17/96/26/172179626.db2.gz LPXDESHSFRVYSL-NSHDSACASA-N 0 0 246.310 2.163 50 0 BEAARN CCn1cc(NC(=O)c2cccc(OC)c2)cn1 ZINC000058379843 172183930 /nfs/dbraw/zinc/18/39/30/172183930.db2.gz LRTFCOXKMRJFND-UHFFFAOYSA-N 0 0 245.282 2.164 50 0 BEAARN CCn1cc(SCC(N)=O)c2ccccc21 ZINC000004060574 172192332 /nfs/dbraw/zinc/19/23/32/172192332.db2.gz QQKFBEYPOFJABE-UHFFFAOYSA-N 0 0 234.324 2.239 50 0 BEAARN CCn1cc([C@H](O)C(Cl)(Cl)Cl)cn1 ZINC000074934404 172199473 /nfs/dbraw/zinc/19/94/73/172199473.db2.gz RTSAZLRUGDHKFO-LURJTMIESA-N 0 0 243.521 2.307 50 0 BEAARN CCn1ccc(CNC(=O)c2cccc(C)c2)n1 ZINC000002800003 172200884 /nfs/dbraw/zinc/20/08/84/172200884.db2.gz SCLHEOMMQJZGDF-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000000143682 172233778 /nfs/dbraw/zinc/23/37/78/172233778.db2.gz KRHVSDUNLZMMEB-UHFFFAOYSA-N 0 0 234.324 2.357 50 0 BEAARN CCn1nc(C(C)C)cc1C(=O)NCC(C)C ZINC000040505576 172241753 /nfs/dbraw/zinc/24/17/53/172241753.db2.gz KZCFIRTYLDFBIU-UHFFFAOYSA-N 0 0 237.347 2.412 50 0 BEAARN CCn1nc(C)c(N[C@H]2CCSC2)c1C ZINC000097046020 172249078 /nfs/dbraw/zinc/24/90/78/172249078.db2.gz VPPHYSTULYYONV-JTQLQIEISA-N 0 0 225.361 2.437 50 0 BEAARN CCn1ncc2c1nc(SC)nc2Cl ZINC000091302206 172256097 /nfs/dbraw/zinc/25/60/97/172256097.db2.gz GJICGEFYYJMUBA-UHFFFAOYSA-N 0 0 228.708 2.222 50 0 BEAARN CCn1nccc1CNC(=O)c1ccccc1C ZINC000002796443 172269071 /nfs/dbraw/zinc/26/90/71/172269071.db2.gz DSTVVCSMKWJVDE-UHFFFAOYSA-N 0 0 243.310 2.141 50 0 BEAARN CCn1nnnc1Oc1ccc(Cl)cc1 ZINC000001111188 172292581 /nfs/dbraw/zinc/29/25/81/172292581.db2.gz POCWNUXGKKXDSD-UHFFFAOYSA-N 0 0 224.651 2.139 50 0 BEAARN CCn1nnnc1SCc1ccccc1F ZINC000040004958 172292705 /nfs/dbraw/zinc/29/27/05/172292705.db2.gz VDEJRXRJVKMOHP-UHFFFAOYSA-N 0 0 238.291 2.124 50 0 BEAARN CN(C(=O)C1CC1)c1nc2ccccc2o1 ZINC000012908884 172297965 /nfs/dbraw/zinc/29/79/65/172297965.db2.gz KBVYTFFVMGJYML-UHFFFAOYSA-N 0 0 216.240 2.201 50 0 BEAARN CN(C(=O)[C@H]1CC1(C)C)c1cccnc1 ZINC000178912411 172332794 /nfs/dbraw/zinc/33/27/94/172332794.db2.gz TVMZQESCEGRMKC-SNVBAGLBSA-N 0 0 204.273 2.091 50 0 BEAARN CN(C(=O)c1cccn1C)c1ccccc1 ZINC000039969183 172343269 /nfs/dbraw/zinc/34/32/69/172343269.db2.gz JQMHYYLELZTQHW-UHFFFAOYSA-N 0 0 214.268 2.302 50 0 BEAARN CN(C)/C=C1\SC(=O)c2ccccc21 ZINC000052518725 172351367 /nfs/dbraw/zinc/35/13/67/172351367.db2.gz RWXKBXGDRRFSFU-YFHOEESVSA-N 0 0 205.282 2.434 50 0 BEAARN CN(C)C(=O)C1=C(c2ccccc2)OCCS1 ZINC000064551609 172354188 /nfs/dbraw/zinc/35/41/88/172354188.db2.gz SDKNULRLUGXHMR-UHFFFAOYSA-N 0 0 249.335 2.207 50 0 BEAARN CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004743439 172354353 /nfs/dbraw/zinc/35/43/53/172354353.db2.gz RMRZPLJAVNSFCJ-UHFFFAOYSA-N 0 0 207.317 2.291 50 0 BEAARN CN(C)C(=O)CCc1cc2ccccc2o1 ZINC000069325585 172361154 /nfs/dbraw/zinc/36/11/54/172361154.db2.gz MHSMFQWRINCBFY-UHFFFAOYSA-N 0 0 217.268 2.454 50 0 BEAARN CN(C)C(=O)COc1c(Cl)cccc1Cl ZINC000097603230 172372592 /nfs/dbraw/zinc/37/25/92/172372592.db2.gz DRMPKCSMQVXTPP-UHFFFAOYSA-N 0 0 248.109 2.460 50 0 BEAARN CN(C)C(=O)CSc1ccc(F)cc1 ZINC000032910963 172374634 /nfs/dbraw/zinc/37/46/34/172374634.db2.gz LDFMRWNQRLOQKP-UHFFFAOYSA-N 0 0 213.277 2.006 50 0 BEAARN CN(C)C(=O)C[C@H]1CNc2ccc(Cl)cc21 ZINC000071372287 172375766 /nfs/dbraw/zinc/37/57/66/172375766.db2.gz PTXOWJMPCITEGY-QMMMGPOBSA-N 0 0 238.718 2.327 50 0 BEAARN CN(C)C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000011535908 172377235 /nfs/dbraw/zinc/37/72/35/172377235.db2.gz NCJUHIQDGITYSQ-LBPRGKRZSA-N 0 0 233.315 2.290 50 0 biogenic BEAARN CN(C)C(=O)Nc1c[nH]c2ccccc12 ZINC000005299767 172382817 /nfs/dbraw/zinc/38/28/17/172382817.db2.gz JLGWSLQGZYDRMS-UHFFFAOYSA-N 0 0 203.245 2.261 50 0 BEAARN CN(C)C(=O)c1ccc(OC(=O)C2CCC2)cc1 ZINC000095949159 172389563 /nfs/dbraw/zinc/38/95/63/172389563.db2.gz NYXICXOWTPTZQJ-UHFFFAOYSA-N 0 0 247.294 2.094 50 0 BEAARN CN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000005957335 172389598 /nfs/dbraw/zinc/38/95/98/172389598.db2.gz NOFXHGGTQGRTTJ-UHFFFAOYSA-N 0 0 217.190 2.407 50 0 BEAARN CN(C)C(=O)c1ccc(F)cc1Cl ZINC000020443104 172389870 /nfs/dbraw/zinc/38/98/70/172389870.db2.gz HPQMQUVYSPXVRJ-UHFFFAOYSA-N 0 0 201.628 2.181 50 0 BEAARN CN(C)C(=O)c1cccc(Br)c1 ZINC000005508934 172390678 /nfs/dbraw/zinc/39/06/78/172390678.db2.gz CGEIMYMVLYZNRJ-UHFFFAOYSA-N 0 0 228.089 2.151 50 0 BEAARN CN(C)C(=O)c1ccccc1Br ZINC000004208978 172392068 /nfs/dbraw/zinc/39/20/68/172392068.db2.gz JYWWETIYYPKRBZ-UHFFFAOYSA-N 0 0 228.089 2.151 50 0 BEAARN CN(C)C(=O)c1cccn1Cc1ccccc1 ZINC000089312152 172392300 /nfs/dbraw/zinc/39/23/00/172392300.db2.gz JKPBTMMYDPETED-UHFFFAOYSA-N 0 0 228.295 2.238 50 0 BEAARN CN(C)C(=O)c1coc2nc3ccccc3nc12 ZINC000002198003 172392522 /nfs/dbraw/zinc/39/25/22/172392522.db2.gz UGBAFGRQWAFJMM-UHFFFAOYSA-N 0 0 241.250 2.078 50 0 BEAARN CN(C)NC(=S)Nc1ccccc1Cl ZINC000004670529 172510107 /nfs/dbraw/zinc/51/01/07/172510107.db2.gz ABWVRVNCELZDQW-UHFFFAOYSA-N 0 0 229.736 2.103 50 0 BEAARN CN(C)c1cccc(NC(=O)CC(F)(F)F)n1 ZINC000097081971 172567118 /nfs/dbraw/zinc/56/71/18/172567118.db2.gz INEJWRIRFFZHTM-UHFFFAOYSA-N 0 0 247.220 2.039 50 0 BEAARN CN(C)c1nc(Cl)nn1Cc1ccccc1 ZINC000049538519 172576052 /nfs/dbraw/zinc/57/60/52/172576052.db2.gz PUXWWPWSZKLATN-UHFFFAOYSA-N 0 0 236.706 2.046 50 0 BEAARN CN1C(=S)S[C@@H]2c3ccccc3CCN21 ZINC000000348073 172973788 /nfs/dbraw/zinc/97/37/88/172973788.db2.gz SMDHFGUHDNXTIT-SNVBAGLBSA-N 0 0 236.365 2.422 50 0 BEAARN CN1CC[C@@H](Sc2cccs2)C1=O ZINC000089375060 173127640 /nfs/dbraw/zinc/12/76/40/173127640.db2.gz VOZQZUGIQMQAQR-SSDOTTSWSA-N 0 0 213.327 2.071 50 0 BEAARN CN1CC[C@@H](SC2=Nc3ccccc3C2)C1=O ZINC000097212600 173127680 /nfs/dbraw/zinc/12/76/80/173127680.db2.gz ZIEQGAXNTTYICD-LLVKDONJSA-N 0 0 246.335 2.237 50 0 BEAARN CN1CCc2[nH]c3c(cccc3F)c2C1 ZINC000044901842 173168279 /nfs/dbraw/zinc/16/82/79/173168279.db2.gz FVEVVXZRMUMEOX-UHFFFAOYSA-N 0 0 204.248 2.295 50 0 BEAARN CN1CCc2cc(Br)ccc2C1=O ZINC000071494625 173169385 /nfs/dbraw/zinc/16/93/85/173169385.db2.gz CXTSDEBVHHLITG-UHFFFAOYSA-N 0 0 240.100 2.077 50 0 in-vitro BEAARN CN1CCn2c(nc3cccc(Cl)c32)C1 ZINC000021799887 173176490 /nfs/dbraw/zinc/17/64/90/173176490.db2.gz PEPBELAXPHOOTO-UHFFFAOYSA-N 0 0 221.691 2.135 50 0 BEAARN CN1c2ccccc2C(C)(C)[C@@]12CCCC(=O)N2 ZINC000000517714 173208389 /nfs/dbraw/zinc/20/83/89/173208389.db2.gz FNUNAZPEIZDMSI-OAHLLOKOSA-N 0 0 244.338 2.410 50 0 biogenic BEAARN CN=c1scc(-c2cccs2)n1C ZINC000308221885 173210234 /nfs/dbraw/zinc/21/02/34/173210234.db2.gz CWHBAMLWSGDGIS-UHFFFAOYSA-N 0 0 210.327 2.346 50 0 BEAARN CNC(=O)C1(c2ccccc2F)CCCC1 ZINC000032999466 173223195 /nfs/dbraw/zinc/22/31/95/173223195.db2.gz LSQOWVDGKMXEJA-UHFFFAOYSA-N 0 0 221.275 2.384 50 0 BEAARN CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000064554912 173223135 /nfs/dbraw/zinc/22/31/35/173223135.db2.gz CRCBRPPPHSQCCW-UHFFFAOYSA-N 0 0 243.228 2.483 50 0 BEAARN CNC(=O)CCc1cc(Br)cs1 ZINC000089386078 173262970 /nfs/dbraw/zinc/26/29/70/173262970.db2.gz CGQTZNKPBZIHDJ-UHFFFAOYSA-N 0 0 248.145 2.189 50 0 BEAARN CNC(=O)CSCC1CCCCCC1 ZINC000097115487 173279635 /nfs/dbraw/zinc/27/96/35/173279635.db2.gz FRELLFNOEHGMQY-UHFFFAOYSA-N 0 0 215.362 2.436 50 0 BEAARN CNC(=O)CSCc1ccc(Cl)c(F)c1 ZINC000190868372 173280043 /nfs/dbraw/zinc/28/00/43/173280043.db2.gz GJARHJFMBNGYPC-UHFFFAOYSA-N 0 0 247.722 2.458 50 0 BEAARN CNC(=O)C[C@H]1CCCc2ccccc21 ZINC000041212038 173283490 /nfs/dbraw/zinc/28/34/90/173283490.db2.gz SCVPVDOBZDUAPT-LLVKDONJSA-N 0 0 203.285 2.243 50 0 BEAARN CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000055472921 173284965 /nfs/dbraw/zinc/28/49/65/173284965.db2.gz MVUOQBOCDNIEBG-LLVKDONJSA-N 0 0 222.263 2.302 50 0 BEAARN CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000080585720 173285573 /nfs/dbraw/zinc/28/55/73/173285573.db2.gz RKWAVFIDUBBHCR-DGCLKSJQSA-N 0 0 232.327 2.451 50 0 BEAARN CNC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000080613998 173290964 /nfs/dbraw/zinc/29/09/64/173290964.db2.gz KTIUCMLEHOTUSL-MRVPVSSYSA-N 0 0 242.706 2.036 50 0 BEAARN CNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000020110825 173304239 /nfs/dbraw/zinc/30/42/39/173304239.db2.gz CZAMVSXQQJOJNI-JTQLQIEISA-N 0 0 221.300 2.323 50 0 BEAARN CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000058342435 173308483 /nfs/dbraw/zinc/30/84/83/173308483.db2.gz XYXPDHMUPJSMRW-ZJUUUORDSA-N 0 0 209.676 2.190 50 0 BEAARN CNC(=O)c1c(C)onc1-c1ccc(F)cc1 ZINC000000405332 173309274 /nfs/dbraw/zinc/30/92/74/173309274.db2.gz DVDZYPBJVUNUKM-UHFFFAOYSA-N 0 0 234.230 2.149 50 0 BEAARN CNC(=O)c1c(N)sc2c1-c1ccccc1C2 ZINC000100619597 173309275 /nfs/dbraw/zinc/30/92/75/173309275.db2.gz UTGUUVLQOMRBEF-UHFFFAOYSA-N 0 0 244.319 2.261 50 0 BEAARN CNC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000044870545 173309522 /nfs/dbraw/zinc/30/95/22/173309522.db2.gz NTOWVFCTDUCHBY-UHFFFAOYSA-N 0 0 234.082 2.362 50 0 BEAARN CNC(=O)c1ccc(C)c(Br)c1 ZINC000077342006 173310529 /nfs/dbraw/zinc/31/05/29/173310529.db2.gz JLCHRMSLYFGXER-UHFFFAOYSA-N 0 0 228.089 2.117 50 0 BEAARN CNC(=O)c1ccc(OCC(=O)C(C)(C)C)cc1 ZINC000032784257 173311196 /nfs/dbraw/zinc/31/11/96/173311196.db2.gz QHGLZDQFXIVAEP-UHFFFAOYSA-N 0 0 249.310 2.040 50 0 BEAARN CNC(=O)c1ccc(OCc2ccccc2)nc1 ZINC000069485055 173311385 /nfs/dbraw/zinc/31/13/85/173311385.db2.gz FGNALJBAOGHPHH-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN CNC(=O)c1cccc(CSc2ncc[nH]2)c1 ZINC000079006659 173311740 /nfs/dbraw/zinc/31/17/40/173311740.db2.gz IILLKGKJNSZJRQ-UHFFFAOYSA-N 0 0 247.323 2.062 50 0 BEAARN CNC(=S)SCCOc1ccccc1 ZINC000013655954 173317267 /nfs/dbraw/zinc/31/72/67/173317267.db2.gz QNSQVNLKRRVQPK-UHFFFAOYSA-N 0 0 227.354 2.303 50 0 BEAARN CNC(=S)Nc1ccc2nc(C)oc2c1 ZINC000013571583 173316931 /nfs/dbraw/zinc/31/69/31/173316931.db2.gz NINZMKKXHNOYNP-UHFFFAOYSA-N 0 0 221.285 2.052 50 0 BEAARN CNC(=S)Nc1ccc(Cl)cc1F ZINC000006333137 173316987 /nfs/dbraw/zinc/31/69/87/173316987.db2.gz AQJVPHHLNSGQIN-UHFFFAOYSA-N 0 0 218.684 2.395 50 0 BEAARN CN[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000037458419 173443166 /nfs/dbraw/zinc/44/31/66/173443166.db2.gz AUZGIVMULMRHBJ-VIFPVBQESA-N 0 0 248.109 2.427 50 0 biogenic BEAARN COC(=O)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000000334963 173525760 /nfs/dbraw/zinc/52/57/60/173525760.db2.gz VEBGUMNCJSRABC-UHFFFAOYSA-N 0 0 235.283 2.195 50 0 BEAARN COC(=O)CSc1ccc2ccccc2n1 ZINC000032537671 173617524 /nfs/dbraw/zinc/61/75/24/173617524.db2.gz ZYWCPBUXYWIYRD-UHFFFAOYSA-N 0 0 233.292 2.500 50 0 BEAARN COC(=O)N[C@]12CC[C@H]3CC[C@@H](CC1)[C@@H]32 ZINC000254387385 173660261 /nfs/dbraw/zinc/66/02/61/173660261.db2.gz XRKQDMZKLRBVKI-GOCCLTDMSA-N 0 0 209.289 2.311 50 0 BEAARN COC(=O)c1c(O)c(C)nc2ccccc21 ZINC000097756705 173844651 /nfs/dbraw/zinc/84/46/51/173844651.db2.gz QJHDNWZFADKDFR-UHFFFAOYSA-N 0 0 217.224 2.035 50 0 BEAARN COC(=O)c1cc(-c2ccccc2)no1 ZINC000000347966 173847268 /nfs/dbraw/zinc/84/72/68/173847268.db2.gz SSDKYDGBJLXLAO-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 BEAARN COC(=O)c1cc(-c2ccccc2)on1 ZINC000000487561 173847446 /nfs/dbraw/zinc/84/74/46/173847446.db2.gz XMPLCJOQBDGMKT-UHFFFAOYSA-N 0 0 203.197 2.128 50 0 biogenic BEAARN COC(=O)c1cc(O)c2ccccc2c1O ZINC000013335462 173860308 /nfs/dbraw/zinc/86/03/08/173860308.db2.gz CRMAPJSLKLVFBT-UHFFFAOYSA-N 0 0 218.208 2.038 50 0 BEAARN COC(=O)c1ccc(NC(=O)C(C)C)c(C)c1 ZINC000029698601 173883613 /nfs/dbraw/zinc/88/36/13/173883613.db2.gz FHWYLOGNERSAQS-UHFFFAOYSA-N 0 0 235.283 2.376 50 0 BEAARN COC(=O)c1ccc2nc(Cl)ncc2c1 ZINC000072193745 173891943 /nfs/dbraw/zinc/89/19/43/173891943.db2.gz NURBZIINUBTMRI-UHFFFAOYSA-N 0 0 222.631 2.070 50 0 BEAARN COC(C)(C)C(=O)OCc1ccccc1 ZINC000090514730 173929460 /nfs/dbraw/zinc/92/94/60/173929460.db2.gz POWWFYBNJKTQHX-UHFFFAOYSA-N 0 0 208.257 2.155 50 0 BEAARN COC1(C(N)=O)CCC(c2ccccc2)CC1 ZINC000225493770 173973820 /nfs/dbraw/zinc/97/38/20/173973820.db2.gz PKDFKTNITDMZNE-UHFFFAOYSA-N 0 0 233.311 2.215 50 0 BEAARN COCC(=O)N(CC1CCC1)c1ccccc1 ZINC000084243676 174038253 /nfs/dbraw/zinc/03/82/53/174038253.db2.gz XFZNYCOWHKPIMB-UHFFFAOYSA-N 0 0 233.311 2.466 50 0 BEAARN COCC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000046913978 174041292 /nfs/dbraw/zinc/04/12/92/174041292.db2.gz BZDQKEMGWPFMAL-SNVBAGLBSA-N 0 0 225.313 2.058 50 0 BEAARN COCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000042688795 174053610 /nfs/dbraw/zinc/05/36/10/174053610.db2.gz OERCAHLTVMGVMC-CYBMUJFWSA-N 0 0 221.300 2.146 50 0 BEAARN COCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000045868394 174053734 /nfs/dbraw/zinc/05/37/34/174053734.db2.gz RVXXGELHNUTCHH-VIFPVBQESA-N 0 0 233.267 2.256 50 0 BEAARN COCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1 ZINC000040107886 174054171 /nfs/dbraw/zinc/05/41/71/174054171.db2.gz AVTLPRITMAYAHC-VIFPVBQESA-N 0 0 241.718 2.034 50 0 BEAARN COCC(=O)N[C@H](C)Cc1ccccc1Cl ZINC000040107881 174056168 /nfs/dbraw/zinc/05/61/68/174056168.db2.gz MVIVUOSLMANTQW-SECBINFHSA-N 0 0 241.718 2.034 50 0 BEAARN COCC(=O)Nc1ccc(C(C)C)cc1 ZINC000000209698 174058330 /nfs/dbraw/zinc/05/83/30/174058330.db2.gz DZVQMJGZDYWXMI-UHFFFAOYSA-N 0 0 207.273 2.395 50 0 BEAARN COCC(=O)Nc1cccc(Br)c1 ZINC000000458452 174059738 /nfs/dbraw/zinc/05/97/38/174059738.db2.gz CWUFAQUGJVSSBQ-UHFFFAOYSA-N 0 0 244.088 2.034 50 0 BEAARN COCC(=O)Nc1ccc2ccccc2c1 ZINC000000210745 174060226 /nfs/dbraw/zinc/06/02/26/174060226.db2.gz OPTFSXBYPNKAQE-UHFFFAOYSA-N 0 0 215.252 2.425 50 0 BEAARN COCC1(CNc2nccc(C)n2)CCC1 ZINC000309765326 174105946 /nfs/dbraw/zinc/10/59/46/174105946.db2.gz NLTVFVCGBFPJFC-UHFFFAOYSA-N 0 0 221.304 2.014 50 0 BEAARN COCCCNC(=O)N[C@@H](C)c1ccccc1 ZINC000040477783 174242532 /nfs/dbraw/zinc/24/25/32/174242532.db2.gz HEBFVIVZPRFRAE-NSHDSACASA-N 0 0 236.315 2.083 50 0 BEAARN COCCCNC(=O)Nc1c(C)cccc1C ZINC000040526405 174242950 /nfs/dbraw/zinc/24/29/50/174242950.db2.gz VUSAGQOQXYEUTF-UHFFFAOYSA-N 0 0 236.315 2.461 50 0 BEAARN COCCCNC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000013826976 174246481 /nfs/dbraw/zinc/24/64/81/174246481.db2.gz YIJYNRMUUBIRAZ-PHIMTYICSA-N 0 0 244.404 2.160 50 0 BEAARN COCCCOc1ccc(N(C)C(C)=O)cc1 ZINC000097114880 174256943 /nfs/dbraw/zinc/25/69/43/174256943.db2.gz KYDFNDOMSOTXDN-UHFFFAOYSA-N 0 0 237.299 2.085 50 0 BEAARN COCCCn1c(C)c(C)c(C=O)c1C ZINC000022122327 174266053 /nfs/dbraw/zinc/26/60/53/174266053.db2.gz NFOCPBRXSIZUOJ-UHFFFAOYSA-N 0 0 209.289 2.262 50 0 BEAARN COCCCn1ccc(=O)c2ccccc21 ZINC000097114864 174266322 /nfs/dbraw/zinc/26/63/22/174266322.db2.gz RRJXJYOWAMWRIO-UHFFFAOYSA-N 0 0 217.268 2.038 50 0 BEAARN COCCCn1ccc2sccc2c1=O ZINC000097114998 174266662 /nfs/dbraw/zinc/26/66/62/174266662.db2.gz HSQVHFJGIOCMPA-UHFFFAOYSA-N 0 0 223.297 2.100 50 0 BEAARN COCCN(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000071998189 174271416 /nfs/dbraw/zinc/27/14/16/174271416.db2.gz WEVCSVVJYYKSOZ-QJPTWQEYSA-N 0 0 242.363 2.099 50 0 BEAARN COCCNC(=O)C1(c2ccccc2)CCCC1 ZINC000002512632 174319768 /nfs/dbraw/zinc/31/97/68/174319768.db2.gz FCNOBDJUTNVJQA-UHFFFAOYSA-N 0 0 247.338 2.261 50 0 BEAARN COCCNC(=O)c1ccc(C)cc1Cl ZINC000002882615 174328169 /nfs/dbraw/zinc/32/81/69/174328169.db2.gz NEJSMSJTUIBGPL-UHFFFAOYSA-N 0 0 227.691 2.025 50 0 BEAARN COCCNc1ncnc2sc(C)c(C)c21 ZINC000001776843 174342636 /nfs/dbraw/zinc/34/26/36/174342636.db2.gz AQHJIQZPNCTCAD-UHFFFAOYSA-N 0 0 237.328 2.366 50 0 BEAARN COCCOCCSc1ccc(C)cn1 ZINC000095964266 174360793 /nfs/dbraw/zinc/36/07/93/174360793.db2.gz QWIXOKSGRLVPIV-UHFFFAOYSA-N 0 0 227.329 2.145 50 0 BEAARN COCCOc1ccc(CNCC(F)F)cc1 ZINC000328593543 174368386 /nfs/dbraw/zinc/36/83/86/174368386.db2.gz HZSKDSIXCQAOHB-UHFFFAOYSA-N 0 0 245.269 2.067 50 0 BEAARN COCCSCC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000040508873 174373984 /nfs/dbraw/zinc/37/39/84/174373984.db2.gz LKFPSBHBQCEICC-GHMZBOCLSA-N 0 0 245.388 2.061 50 0 BEAARN COCCSc1ccc(OC)c(OC)c1 ZINC000077495820 174376822 /nfs/dbraw/zinc/37/68/22/174376822.db2.gz YZJQVVOQTHALRR-UHFFFAOYSA-N 0 0 228.313 2.442 50 0 BEAARN COCC[C@@H](NC(=O)NC1(C)CCC1)C(C)C ZINC000095974508 174393143 /nfs/dbraw/zinc/39/31/43/174393143.db2.gz QZLFCAROMCFKAE-LLVKDONJSA-N 0 0 242.363 2.289 50 0 BEAARN COCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000077559651 174404122 /nfs/dbraw/zinc/40/41/22/174404122.db2.gz HTFGYHDJXIFHMC-GRYCIOLGSA-N 0 0 242.363 2.241 50 0 BEAARN COCOc1ccc(C(=O)c2ccncc2)cc1 ZINC000019087654 174432261 /nfs/dbraw/zinc/43/22/61/174432261.db2.gz GFLVNFFIWIMYBW-UHFFFAOYSA-N 0 0 243.262 2.295 50 0 BEAARN CO[C@@H](C(=O)Nc1nccs1)c1ccccc1 ZINC000022017668 174675266 /nfs/dbraw/zinc/67/52/66/174675266.db2.gz RUOHRUCPPLYRBA-SNVBAGLBSA-N 0 0 248.307 2.469 50 0 BEAARN CO[C@@H]1CCc2oc3ccccc3c(=O)c2C1 ZINC000004973159 174766141 /nfs/dbraw/zinc/76/61/41/174766141.db2.gz IRNILVBASYLHOO-SECBINFHSA-N 0 0 230.263 2.297 50 0 BEAARN CO[C@H](C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000069456202 174807854 /nfs/dbraw/zinc/80/78/54/174807854.db2.gz PZHQAJBZYMSLEE-LLVKDONJSA-N 0 0 244.294 2.451 50 0 BEAARN CO[C@H](C)CC(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000058330927 174809580 /nfs/dbraw/zinc/80/95/80/174809580.db2.gz HNBGIPHKLUNZIG-MRVPVSSYSA-N 0 0 239.319 2.071 50 0 BEAARN CO[C@H](C)CCOC(=O)c1ccnc(Cl)c1 ZINC000096442894 174819514 /nfs/dbraw/zinc/81/95/14/174819514.db2.gz BRVFPDDFZGYVDH-MRVPVSSYSA-N 0 0 243.690 2.317 50 0 BEAARN CO[C@H](C)c1ccc(-c2cnc(N)nc2)cc1 ZINC000032513783 174853113 /nfs/dbraw/zinc/85/31/13/174853113.db2.gz WLAKRCALYMFHCG-SECBINFHSA-N 0 0 229.283 2.433 50 0 BEAARN CO[C@H](CNC(=O)C1CC1)c1ccc(C)s1 ZINC000096104632 174861666 /nfs/dbraw/zinc/86/16/66/174861666.db2.gz VATXPNOKIIDBGD-SNVBAGLBSA-N 0 0 239.340 2.270 50 0 BEAARN CO[C@H]1CCC[C@H](n2nnc3ccccc32)O1 ZINC000005356651 174883174 /nfs/dbraw/zinc/88/31/74/174883174.db2.gz PAKSAYRGTYTQEJ-VXGBXAGGSA-N 0 0 233.271 2.103 50 0 BEAARN COc1c(O)cc2c(C)cc(=O)oc2c1C(C)=O ZINC000075260213 174934201 /nfs/dbraw/zinc/93/42/01/174934201.db2.gz SXKAYWOFFNGERY-UHFFFAOYSA-N 0 0 248.234 2.018 50 0 BEAARN COc1cc(-c2ccc(Cl)cc2)nc(N)n1 ZINC000004323873 174938193 /nfs/dbraw/zinc/93/81/93/174938193.db2.gz PRZDKABWAYGWES-UHFFFAOYSA-N 0 0 235.674 2.388 50 0 BEAARN COc1cc(C(F)(F)F)ccc1CO ZINC000002528362 174952335 /nfs/dbraw/zinc/95/23/35/174952335.db2.gz OHEBPFPPZUWWHD-UHFFFAOYSA-N 0 0 206.163 2.206 50 0 BEAARN COc1cc(C=O)c(OC)cc1Cl ZINC000034599824 174975758 /nfs/dbraw/zinc/97/57/58/174975758.db2.gz VWSPFJJLIGAHLK-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN COc1cc(OC(F)(F)F)ccc1N ZINC000038529719 175006178 /nfs/dbraw/zinc/00/61/78/175006178.db2.gz UHSZMPDNKZEQRZ-UHFFFAOYSA-N 0 0 207.151 2.176 50 0 BEAARN COc1cc(OC)c2c(cccc2OC)n1 ZINC000000384429 175008593 /nfs/dbraw/zinc/00/85/93/175008593.db2.gz KCZIYFVJTLHOFN-UHFFFAOYSA-N 0 0 219.240 2.261 50 0 BEAARN COc1cc(SC)ccc1C(=O)NC1CC1 ZINC000000132081 175012866 /nfs/dbraw/zinc/01/28/66/175012866.db2.gz NFBWKJNEBZTSEF-UHFFFAOYSA-N 0 0 237.324 2.309 50 0 BEAARN COc1cc2nc[nH]c2cc1Br ZINC000074926433 175019038 /nfs/dbraw/zinc/01/90/38/175019038.db2.gz BAAJXZAAZDCTGW-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1cc2c(cc1OC)C(=O)CCS2 ZINC000000384055 175023353 /nfs/dbraw/zinc/02/33/53/175023353.db2.gz WOVHGMBVSIIGQA-UHFFFAOYSA-N 0 0 224.281 2.382 50 0 BEAARN COc1ccc(-c2cc(C)nc3ncnn32)cc1 ZINC000000520872 175030922 /nfs/dbraw/zinc/03/09/22/175030922.db2.gz AWOVHXGFCKDQIJ-UHFFFAOYSA-N 0 0 240.266 2.108 50 0 BEAARN COc1ccc(-c2ccc(=O)[nH]c2)c(C)c1 ZINC000065339156 175032217 /nfs/dbraw/zinc/03/22/17/175032217.db2.gz BZGPFIHUOQHWIH-UHFFFAOYSA-N 0 0 215.252 2.359 50 0 BEAARN COc1ccc(-c2ccc(CO)o2)cc1 ZINC000000188708 175033082 /nfs/dbraw/zinc/03/30/82/175033082.db2.gz DHAPZNMAHAPRNZ-UHFFFAOYSA-N 0 0 204.225 2.448 50 0 BEAARN COc1ccc(-c2ccc(CO)o2)cc1N ZINC000004414585 175033282 /nfs/dbraw/zinc/03/32/82/175033282.db2.gz MFISSPNBPYMOEQ-UHFFFAOYSA-N 0 0 219.240 2.030 50 0 BEAARN COc1ccc(-c2ccc(C)cn2)cn1 ZINC000067871678 175033353 /nfs/dbraw/zinc/03/33/53/175033353.db2.gz KYGJCOSBJBMWEL-UHFFFAOYSA-N 0 0 200.241 2.461 50 0 BEAARN COc1ccc(-c2ccc(O)cc2)cn1 ZINC000156638587 175034424 /nfs/dbraw/zinc/03/44/24/175034424.db2.gz ACKKXJFBNSXZBZ-UHFFFAOYSA-N 0 0 201.225 2.463 50 0 BEAARN COc1ccc(-c2ccnc3ccnn32)cc1 ZINC000002788146 175036327 /nfs/dbraw/zinc/03/63/27/175036327.db2.gz FTNFIVVUCDEENS-UHFFFAOYSA-N 0 0 225.251 2.405 50 0 BEAARN COc1ccc(-c2n[nH]c(=S)[nH]2)cc1OC ZINC000006556075 175038093 /nfs/dbraw/zinc/03/80/93/175038093.db2.gz GOAFWCLLGUXBRK-UHFFFAOYSA-N 0 0 237.284 2.151 50 0 BEAARN COc1ccc(-c2nc(C3CC3)no2)cn1 ZINC000075609934 175038532 /nfs/dbraw/zinc/03/85/32/175038532.db2.gz WDTLHKXCYLHEIL-UHFFFAOYSA-N 0 0 217.228 2.018 50 0 BEAARN COc1ccc(-c2nc(C)no2)cc1NC(C)=O ZINC000227153871 175038983 /nfs/dbraw/zinc/03/89/83/175038983.db2.gz PBTPBPUXGGRDJS-UHFFFAOYSA-N 0 0 247.254 2.012 50 0 BEAARN COc1ccc(-c2ncc(CO)s2)cc1 ZINC000045205731 175040680 /nfs/dbraw/zinc/04/06/80/175040680.db2.gz IRMQVKDKXVMCHU-UHFFFAOYSA-N 0 0 221.281 2.311 50 0 BEAARN COc1ccc(-c2ncnc3[nH]cnc32)cc1C ZINC000067872674 175041888 /nfs/dbraw/zinc/04/18/88/175041888.db2.gz LBIHIXMDMSOJEU-UHFFFAOYSA-N 0 0 240.266 2.337 50 0 BEAARN COc1ccc(-c2nnc(Cl)o2)cc1 ZINC000000384331 175042790 /nfs/dbraw/zinc/04/27/90/175042790.db2.gz RJPGUWVAVNXPNW-UHFFFAOYSA-N 0 0 210.620 2.399 50 0 BEAARN COc1ccc(-c2noc([C@H](N)C(C)C)n2)cc1 ZINC000019785565 175042980 /nfs/dbraw/zinc/04/29/80/175042980.db2.gz RZHLEXZWVUWVDL-LLVKDONJSA-N 0 0 247.298 2.401 50 0 BEAARN COc1ccc(-n2ncc(C(C)=O)c2C)cc1 ZINC000020342968 175044759 /nfs/dbraw/zinc/04/47/59/175044759.db2.gz JEKVULQFAWKJBG-UHFFFAOYSA-N 0 0 230.267 2.392 50 0 BEAARN COc1ccc(-n2nc(C)c(C=O)c2C)cc1 ZINC000032015891 175044933 /nfs/dbraw/zinc/04/49/33/175044933.db2.gz LPRRTGSYYWBDDW-UHFFFAOYSA-N 0 0 230.267 2.310 50 0 BEAARN COc1ccc(/C=C/C(=O)N2CCCC2)cc1 ZINC000000258869 175046433 /nfs/dbraw/zinc/04/64/33/175046433.db2.gz JYEDISZKFNNREA-RMKNXTFCSA-N 0 0 231.295 2.331 50 0 biogenic,in-vitro BEAARN COc1ccc(/C=C/C(=O)NC(C)C)cc1 ZINC000000444185 175046629 /nfs/dbraw/zinc/04/66/29/175046629.db2.gz SFGBJVZZMINCSF-RMKNXTFCSA-N 0 0 219.284 2.233 50 0 BEAARN COc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1 ZINC000005659726 175048112 /nfs/dbraw/zinc/04/81/12/175048112.db2.gz LQCLLWWODNPCCK-JXMROGBWSA-N 0 0 249.291 2.361 50 0 BEAARN COc1ccc(Br)c2c1OCCO2 ZINC000004367649 175051399 /nfs/dbraw/zinc/05/13/99/175051399.db2.gz ZJNULBCPSOSUHJ-UHFFFAOYSA-N 0 0 245.072 2.229 50 0 BEAARN COc1ccc(C(=O)CCn2ccnc2)cc1 ZINC000095348301 175054141 /nfs/dbraw/zinc/05/41/41/175054141.db2.gz OXLAPCYQIDDYBW-UHFFFAOYSA-N 0 0 230.267 2.165 50 0 BEAARN COc1ccc(C(=O)NCc2ccco2)cc1 ZINC000000054847 175060979 /nfs/dbraw/zinc/06/09/79/175060979.db2.gz PWFJLOUYYUBYOS-UHFFFAOYSA-N 0 0 231.251 2.218 50 0 BEAARN COc1ccc(C(=O)Nc2cc(C)on2)cc1 ZINC000000030952 175063552 /nfs/dbraw/zinc/06/35/52/175063552.db2.gz NCSMCVZNYCCOGI-UHFFFAOYSA-N 0 0 232.239 2.244 50 0 BEAARN COc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000000011133 175063608 /nfs/dbraw/zinc/06/36/08/175063608.db2.gz PJCYIPIOMMKQMC-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccc(C(=O)Nc2ccccn2)c(F)c1 ZINC000009364504 175063633 /nfs/dbraw/zinc/06/36/33/175063633.db2.gz PXTGDSYWNZLKHG-UHFFFAOYSA-N 0 0 246.241 2.482 50 0 BEAARN COc1ccc(C(=O)Nc2cc(C)ccn2)cn1 ZINC000009314284 175063894 /nfs/dbraw/zinc/06/38/94/175063894.db2.gz VTUUHXIKYIGFPZ-UHFFFAOYSA-N 0 0 243.266 2.046 50 0 BEAARN COc1ccc(C(=O)OC2CCOCC2)cc1 ZINC000071780039 175065352 /nfs/dbraw/zinc/06/53/52/175065352.db2.gz IDFCPNNPOHZGAV-UHFFFAOYSA-N 0 0 236.267 2.031 50 0 BEAARN COc1ccc(C(N)=S)cc1Br ZINC000011960550 175069986 /nfs/dbraw/zinc/06/99/86/175069986.db2.gz VRDJYJJQTOXWMP-UHFFFAOYSA-N 0 0 246.129 2.092 50 0 BEAARN COc1ccc(C)cc1-c1ccc[nH]c1=O ZINC000065339147 175072622 /nfs/dbraw/zinc/07/26/22/175072622.db2.gz QKONBOVQGYLEQA-UHFFFAOYSA-N 0 0 215.252 2.359 50 0 BEAARN COc1ccc(C)cc1-n1cnnc1[C@H](C)OC ZINC000071278590 175073257 /nfs/dbraw/zinc/07/32/57/175073257.db2.gz OBUKKNLEZBFBMH-JTQLQIEISA-N 0 0 247.298 2.292 50 0 BEAARN COc1ccc(C)cc1NC(=O)c1cc(C)[nH]n1 ZINC000006736873 175077523 /nfs/dbraw/zinc/07/75/23/175077523.db2.gz FJTLECYGCWZQJE-UHFFFAOYSA-N 0 0 245.282 2.287 50 0 BEAARN COc1ccc(C=O)c(OC)c1Cl ZINC000039615184 175086337 /nfs/dbraw/zinc/08/63/37/175086337.db2.gz XBWCSKPPTSIOOA-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN COc1ccc(C=O)c(Cl)c1OC ZINC000002575161 175086401 /nfs/dbraw/zinc/08/64/01/175086401.db2.gz SAWHDJTZESXNMM-UHFFFAOYSA-N 0 0 200.621 2.170 50 0 BEAARN COc1ccc(CCCNC(=O)C(C)C)cc1 ZINC000036113223 175089690 /nfs/dbraw/zinc/08/96/90/175089690.db2.gz UYGWJRGNFNPJEI-UHFFFAOYSA-N 0 0 235.327 2.400 50 0 BEAARN COc1ccc(CCNc2ccc(C)nn2)cc1 ZINC000032624599 175092689 /nfs/dbraw/zinc/09/26/89/175092689.db2.gz PQGOFDPUWNFFRG-UHFFFAOYSA-N 0 0 243.310 2.448 50 0 BEAARN COc1ccc(CN2CCO[C@H](C)C2)cc1F ZINC000054172154 175101855 /nfs/dbraw/zinc/10/18/55/175101855.db2.gz LVBXPUAOGCBZSA-SNVBAGLBSA-N 0 0 239.290 2.055 50 0 BEAARN COc1ccc(CNCc2cscn2)cc1 ZINC000040420202 175108595 /nfs/dbraw/zinc/10/85/95/175108595.db2.gz ZUVNXMWBTCKRLP-UHFFFAOYSA-N 0 0 234.324 2.442 50 0 BEAARN COc1ccc(COC(=O)[C@@H]2CC=CCC2)cn1 ZINC000096442967 175113060 /nfs/dbraw/zinc/11/30/60/175113060.db2.gz VVIWPFYYAHCFPX-GFCCVEGCSA-N 0 0 247.294 2.490 50 0 BEAARN COc1ccc(Cl)cc1C(=O)N(C)C ZINC000005668128 175119526 /nfs/dbraw/zinc/11/95/26/175119526.db2.gz UNLOLUVEODAMNT-UHFFFAOYSA-N 0 0 213.664 2.050 50 0 BEAARN COc1ccc(N)cc1NC(=O)c1ccco1 ZINC000013945745 175138825 /nfs/dbraw/zinc/13/88/25/175138825.db2.gz YCNHDBQRHMUSOJ-UHFFFAOYSA-N 0 0 232.239 2.123 50 0 BEAARN COc1ccc(NC(=O)C(C)C)cc1OC ZINC000000711703 175140906 /nfs/dbraw/zinc/14/09/06/175140906.db2.gz VSZJULNJPLJSJH-UHFFFAOYSA-N 0 0 223.272 2.298 50 0 BEAARN COc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000000124554 175142123 /nfs/dbraw/zinc/14/21/23/175142123.db2.gz LTAOSVFYEKWEFM-UHFFFAOYSA-N 0 0 248.326 2.120 50 0 BEAARN COc1ccc(NC(=O)Cc2cccnc2)cc1 ZINC000069699597 175142663 /nfs/dbraw/zinc/14/26/63/175142663.db2.gz XFEYBXDGXYMCFH-UHFFFAOYSA-N 0 0 242.278 2.271 50 0 BEAARN COc1ccc(NC(=O)N2CCCC2)cc1 ZINC000012916663 175143394 /nfs/dbraw/zinc/14/33/94/175143394.db2.gz RHJVDHVGMVIFPG-UHFFFAOYSA-N 0 0 220.272 2.323 50 0 BEAARN COc1ccc(NC(=O)NCC2CC2)cc1 ZINC000012927401 175143987 /nfs/dbraw/zinc/14/39/87/175143987.db2.gz DSTLPXAOXQCGGK-UHFFFAOYSA-N 0 0 220.272 2.227 50 0 BEAARN COc1ccc(NC(=O)Nc2cnccn2)cc1 ZINC000006725325 175144492 /nfs/dbraw/zinc/14/44/92/175144492.db2.gz NQIXULKWUYQEIB-UHFFFAOYSA-N 0 0 244.254 2.129 50 0 BEAARN COc1ccc(NC(=O)NCc2ccoc2)cn1 ZINC000044950818 175144878 /nfs/dbraw/zinc/14/48/78/175144878.db2.gz XWFITHMHHKKWPN-UHFFFAOYSA-N 0 0 247.254 2.005 50 0 BEAARN COc1ccc(NC(=O)c2cccnc2)cc1 ZINC000000242097 175147684 /nfs/dbraw/zinc/14/76/84/175147684.db2.gz BIIGKWRZEOUZSI-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1ccc(Nc2ncccc2N)cc1 ZINC000015830922 175156610 /nfs/dbraw/zinc/15/66/10/175156610.db2.gz GAKVHRACPVAOAC-UHFFFAOYSA-N 0 0 215.256 2.416 50 0 BEAARN COc1ccc(OC(=O)c2ccccc2N)cc1 ZINC000012370938 175162714 /nfs/dbraw/zinc/16/27/14/175162714.db2.gz LTTDMCVZRDICBS-UHFFFAOYSA-N 0 0 243.262 2.497 50 0 BEAARN COc1ccc(OC(=O)C2CCC2)cc1 ZINC000000363620 175162747 /nfs/dbraw/zinc/16/27/47/175162747.db2.gz DNZCZKNTHJOOQO-UHFFFAOYSA-N 0 0 206.241 2.401 50 0 BEAARN COc1ccc(OC)c(C(=O)c2ccccn2)c1 ZINC000000386905 175164110 /nfs/dbraw/zinc/16/41/10/175164110.db2.gz UTUZWWABOJAYHY-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1ccc(Oc2cc(C)nc(N)n2)cc1 ZINC000002562028 175174034 /nfs/dbraw/zinc/17/40/34/175174034.db2.gz SLTWEZDKMKRHHE-UHFFFAOYSA-N 0 0 231.255 2.168 50 0 BEAARN COc1ccc([C@@H](N)C(F)(F)F)cc1OC ZINC000019429507 175178978 /nfs/dbraw/zinc/17/89/78/175178978.db2.gz JJNFDHBWILGMKH-SECBINFHSA-N 0 0 235.205 2.266 50 0 BEAARN COc1ccc([C@@](C)(O)C2CC2)cc1OC ZINC000055192068 175186626 /nfs/dbraw/zinc/18/66/26/175186626.db2.gz OCZAPVLUWFLFSB-ZDUSSCGKSA-N 0 0 222.284 2.321 50 0 BEAARN COc1ccc([C@H](N)C(=O)OC(C)(C)C)cc1 ZINC000025665301 175190933 /nfs/dbraw/zinc/19/09/33/175190933.db2.gz HHLVYXCZQVDRKB-NSHDSACASA-N 0 0 237.299 2.037 50 0 BEAARN COc1ccc([C@H]2CCCN2C(C)=O)cc1OC ZINC000032904675 175194904 /nfs/dbraw/zinc/19/49/04/175194904.db2.gz FUKMPIJOBJEHBJ-GFCCVEGCSA-N 0 0 249.310 2.387 50 0 BEAARN COc1ccc2[nH]c3c(ncnc3N(C)C)c2c1 ZINC000000117475 175202237 /nfs/dbraw/zinc/20/22/37/175202237.db2.gz MALMEVUZLXCESV-UHFFFAOYSA-N 0 0 242.282 2.186 50 0 BEAARN COc1ccc2[nH]cc(Cl)c(=O)c2c1 ZINC000019721548 175203275 /nfs/dbraw/zinc/20/32/75/175203275.db2.gz RDNOZYLIMZPTDV-UHFFFAOYSA-N 0 0 209.632 2.190 50 0 BEAARN COc1ccc2c(c1)OCCC[C@@H]2NC(C)=O ZINC000094992635 175212897 /nfs/dbraw/zinc/21/28/97/175212897.db2.gz SFKVWTHLMQTRCF-LBPRGKRZSA-N 0 0 235.283 2.045 50 0 BEAARN COc1ccc2c(c1)c1nnc(=S)[nH]c1n2C ZINC000002480508 175218668 /nfs/dbraw/zinc/21/86/68/175218668.db2.gz ZSHQNWOKQSHIOL-UHFFFAOYSA-N 0 0 246.295 2.188 50 0 BEAARN COc1ccc2cc3c(nc2c1)NCC3 ZINC000011847799 175225325 /nfs/dbraw/zinc/22/53/25/175225325.db2.gz RXPJQHXCCTXKCT-UHFFFAOYSA-N 0 0 200.241 2.211 50 0 BEAARN COc1ccc2nc(Cl)c(CO)cc2c1 ZINC000000421640 175229310 /nfs/dbraw/zinc/22/93/10/175229310.db2.gz AKKPSGFLKITYGV-UHFFFAOYSA-N 0 0 223.659 2.389 50 0 BEAARN COc1cccc(-c2csc(=O)[nH]2)c1 ZINC000034669817 175235492 /nfs/dbraw/zinc/23/54/92/175235492.db2.gz FMROXOWLZSPZIM-UHFFFAOYSA-N 0 0 207.254 2.112 50 0 BEAARN COc1cccc(-c2nnc(SC)n2C)c1 ZINC000001332805 175237754 /nfs/dbraw/zinc/23/77/54/175237754.db2.gz LXEFNMZOYBGHPE-UHFFFAOYSA-N 0 0 235.312 2.213 50 0 BEAARN COc1cccc(-n2cnc3ccccc32)n1 ZINC000065396740 175239557 /nfs/dbraw/zinc/23/95/57/175239557.db2.gz NDHNZJJWVJRDAT-UHFFFAOYSA-N 0 0 225.251 2.429 50 0 BEAARN COc1cccc(=O)c2c(C)n(C)c(C)c21 ZINC000000312641 175241421 /nfs/dbraw/zinc/24/14/21/175241421.db2.gz NNDJOLZOKXFLEA-UHFFFAOYSA-N 0 0 217.268 2.164 50 0 biogenic BEAARN COc1cccc(C(=O)Nc2nc(C)ns2)c1 ZINC000027664475 175246163 /nfs/dbraw/zinc/24/61/63/175246163.db2.gz AXENVLQTHNPPAD-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1cccc(C(=O)Nc2nnc(C)s2)c1 ZINC000000353952 175246569 /nfs/dbraw/zinc/24/65/69/175246569.db2.gz UGPMQUSFCMNYID-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1cccc(C(=S)N2CCCC2)c1 ZINC000009189011 175246883 /nfs/dbraw/zinc/24/68/83/175246883.db2.gz QQIPXBORDIYZSR-UHFFFAOYSA-N 0 0 221.325 2.467 50 0 BEAARN COc1cccc(C(=O)c2ccccc2F)n1 ZINC000045028722 175247367 /nfs/dbraw/zinc/24/73/67/175247367.db2.gz MTEAYXGTJOOIAK-UHFFFAOYSA-N 0 0 231.226 2.460 50 0 BEAARN COc1cccc(C=O)c1OC(F)F ZINC000003278006 175249237 /nfs/dbraw/zinc/24/92/37/175249237.db2.gz DDAGGCKTGNIEIG-UHFFFAOYSA-N 0 0 202.156 2.109 50 0 BEAARN COc1cccc(NC(C)=C2CCOC2=O)c1 ZINC000012478392 175275249 /nfs/dbraw/zinc/27/52/49/175275249.db2.gz YDJSYIKTEDQCHR-XFXZXTDPSA-N 0 0 233.267 2.328 50 0 BEAARN COc1cccc(NC(=O)c2ccncc2)c1 ZINC000000235919 175278512 /nfs/dbraw/zinc/27/85/12/175278512.db2.gz AQDFOWWIQOKIRU-UHFFFAOYSA-N 0 0 228.251 2.343 50 0 BEAARN COc1cccc(OC)c1C(=O)c1ccccn1 ZINC000033994629 175281928 /nfs/dbraw/zinc/28/19/28/175281928.db2.gz KHNSWAXUEXNSSW-UHFFFAOYSA-N 0 0 243.262 2.330 50 0 BEAARN COc1cccc([C@@H](C)NC(=O)[C@H]2CCCO2)c1 ZINC000006731219 175286445 /nfs/dbraw/zinc/28/64/45/175286445.db2.gz HISIBKDWWABLJR-ZWNOBZJWSA-N 0 0 249.310 2.051 50 0 BEAARN COc1cccc2c(OC(C)=O)coc21 ZINC000000163162 175299860 /nfs/dbraw/zinc/29/98/60/175299860.db2.gz MBHSRSCNOOHRLB-UHFFFAOYSA-N 0 0 206.197 2.367 50 0 BEAARN COc1ccccc1-n1cc(C(C)=O)cn1 ZINC000019087995 175312940 /nfs/dbraw/zinc/31/29/40/175312940.db2.gz DWNLGWZAVQITML-UHFFFAOYSA-N 0 0 216.240 2.084 50 0 BEAARN COc1ccccc1/C=C/C(=O)NCC(C)C ZINC000000149587 175314521 /nfs/dbraw/zinc/31/45/21/175314521.db2.gz RKPVWCBVVAKITD-CMDGGOBGSA-N 0 0 233.311 2.481 50 0 BEAARN COc1ccccc1C(=O)C(F)(F)F ZINC000002565655 175316708 /nfs/dbraw/zinc/31/67/08/175316708.db2.gz SKDHRHGYJIMXRJ-UHFFFAOYSA-N 0 0 204.147 2.440 50 0 BEAARN COc1ccccc1C(=O)Nc1nnc(C)s1 ZINC000001418541 175319323 /nfs/dbraw/zinc/31/93/23/175319323.db2.gz XRMRKVNQMBDQKR-UHFFFAOYSA-N 0 0 249.295 2.107 50 0 BEAARN COc1ccccc1CC(=O)Nc1nccs1 ZINC000000117114 175321881 /nfs/dbraw/zinc/32/18/81/175321881.db2.gz ATXNOCFSHOUKOM-UHFFFAOYSA-N 0 0 248.307 2.333 50 0 BEAARN COc1ccccc1CNC(=O)CC(F)(F)F ZINC000040490333 175328555 /nfs/dbraw/zinc/32/85/55/175328555.db2.gz SARIFRQGASWSAI-UHFFFAOYSA-N 0 0 247.216 2.264 50 0 BEAARN COc1ccccc1CNC(=O)N1CCCC1 ZINC000030981381 175328700 /nfs/dbraw/zinc/32/87/00/175328700.db2.gz MWTXICRRCGFENN-UHFFFAOYSA-N 0 0 234.299 2.001 50 0 BEAARN COc1ccccc1CNC(=O)c1ccccn1 ZINC000003614915 175329451 /nfs/dbraw/zinc/32/94/51/175329451.db2.gz IGAJGEZVRGTGAG-UHFFFAOYSA-N 0 0 242.278 2.020 50 0 BEAARN COc1ccccc1C[C@@H](NC(C)=O)C(C)C ZINC000096448310 175333159 /nfs/dbraw/zinc/33/31/59/175333159.db2.gz HTHRBPMQUMZQRG-CYBMUJFWSA-N 0 0 235.327 2.398 50 0 BEAARN COc1ccccc1Nc1nc(C)c(C)c(=O)[nH]1 ZINC000072406645 175339534 /nfs/dbraw/zinc/33/95/34/175339534.db2.gz OFYOORMYFDKGQR-UHFFFAOYSA-N 0 0 245.282 2.139 50 0 BEAARN COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCO1 ZINC000049940464 175351274 /nfs/dbraw/zinc/35/12/74/175351274.db2.gz HSGMJJFPEWFTBR-GWCFXTLKSA-N 0 0 249.310 2.051 50 0 BEAARN COc1cccnc1NCc1ccccn1 ZINC000095978142 175357346 /nfs/dbraw/zinc/35/73/46/175357346.db2.gz LSIHKCRMVZINQZ-UHFFFAOYSA-N 0 0 215.256 2.097 50 0 BEAARN COc1ccnc(CN(C)Cc2cc(C)on2)c1 ZINC000106933514 175358628 /nfs/dbraw/zinc/35/86/28/175358628.db2.gz WVIIKZKEOKHWLU-UHFFFAOYSA-N 0 0 247.298 2.019 50 0 BEAARN COc1ccnc2[nH]cc(Br)c21 ZINC000030678176 175369021 /nfs/dbraw/zinc/36/90/21/175369021.db2.gz YUODGIIDEORCCN-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1cnc(-c2ccccc2)nc1OC ZINC000004050313 175380567 /nfs/dbraw/zinc/38/05/67/175380567.db2.gz WEZMXXMSIFOFDN-UHFFFAOYSA-N 0 0 216.240 2.161 50 0 BEAARN COc1cnc(C(F)(F)F)nc1Cl ZINC000016698762 175380842 /nfs/dbraw/zinc/38/08/42/175380842.db2.gz AFHSLKLRYUXPOA-UHFFFAOYSA-N 0 0 212.558 2.157 50 0 BEAARN COc1cnc2[nH]ccc2c1Br ZINC000044713372 175382738 /nfs/dbraw/zinc/38/27/38/175382738.db2.gz RZUBLQHBEOAUAQ-UHFFFAOYSA-N 0 0 227.061 2.334 50 0 BEAARN COc1nc(C)ccc1Br ZINC000008698261 175390830 /nfs/dbraw/zinc/39/08/30/175390830.db2.gz KSFXMDCBPCLNCM-UHFFFAOYSA-N 0 0 202.051 2.161 50 0 BEAARN COc1nc(C)nc2sc3c(c21)CCC3 ZINC000003069822 175391697 /nfs/dbraw/zinc/39/16/97/175391697.db2.gz WHKWDKMXQDQHGV-UHFFFAOYSA-N 0 0 220.297 2.497 50 0 BEAARN COc1nc(Cl)c(C=O)n1-c1ccccc1 ZINC000058177661 175392130 /nfs/dbraw/zinc/39/21/30/175392130.db2.gz GFZPCIVYBQCNID-UHFFFAOYSA-N 0 0 236.658 2.347 50 0 BEAARN CSCC(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000107064936 175462389 /nfs/dbraw/zinc/46/23/89/175462389.db2.gz JCOXCATWCBUZFZ-DVVUODLYSA-N 0 0 244.356 2.096 50 0 BEAARN CSCCCN1CCC[C@H]1c1noc(C)n1 ZINC000076047169 175482457 /nfs/dbraw/zinc/48/24/57/175482457.db2.gz FFOQFAGJABFGCT-JTQLQIEISA-N 0 0 241.360 2.268 50 0 BEAARN CSCc1cc(N2CCCC2)nc(C)n1 ZINC000005423335 175531027 /nfs/dbraw/zinc/53/10/27/175531027.db2.gz OFKWAMKPTSPOHR-UHFFFAOYSA-N 0 0 223.345 2.248 50 0 BEAARN CS[C@@H](C)C(=O)N(C)Cc1ccsc1 ZINC000042850149 175534857 /nfs/dbraw/zinc/53/48/57/175534857.db2.gz KTUJZLHCMCTIJM-QMMMGPOBSA-N 0 0 229.370 2.458 50 0 BEAARN CSc1nc(Cl)c(N)c(Cl)n1 ZINC000095616375 175588092 /nfs/dbraw/zinc/58/80/92/175588092.db2.gz RYDZQZVTGOIZNX-UHFFFAOYSA-N 0 0 210.089 2.088 50 0 BEAARN COC(=O)c1ccc(C)c2cccnc12 ZINC000095929764 487631168 /nfs/dbraw/zinc/63/11/68/487631168.db2.gz NEQZIQJSHJZFON-UHFFFAOYSA-N 0 0 201.225 2.330 50 0 BEAARN C[C@@H](CO)NC(=O)Nc1cccc2ccccc21 ZINC000012977305 175754395 /nfs/dbraw/zinc/75/43/95/175754395.db2.gz ABGHUIZNIMFHLG-JTQLQIEISA-N 0 0 244.294 2.342 50 0 BEAARN C[C@@H](COc1cccc(F)c1)Nc1ncccn1 ZINC000095394314 175763209 /nfs/dbraw/zinc/76/32/09/175763209.db2.gz KVVDSGCYAAEQLO-JTQLQIEISA-N 0 0 247.273 2.495 50 0 BEAARN C[C@@H](NC(=O)c1cnccn1)c1cccc(F)c1 ZINC000012877522 175853229 /nfs/dbraw/zinc/85/32/29/175853229.db2.gz LFGMLIRTFGFSDF-SECBINFHSA-N 0 0 245.257 2.107 50 0 BEAARN C[C@@H](Oc1ccccc1)C(=O)N1CCCCC1 ZINC000006468726 176005907 /nfs/dbraw/zinc/00/59/07/176005907.db2.gz IYIPXJOGNYSNJP-GFCCVEGCSA-N 0 0 233.311 2.466 50 0 BEAARN C[C@@H](Oc1ccccc1)c1ccnc(N)n1 ZINC000003017395 176005946 /nfs/dbraw/zinc/00/59/46/176005946.db2.gz PGIJNPSOZSWWBZ-SECBINFHSA-N 0 0 215.256 2.199 50 0 BEAARN C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC1 ZINC000012380576 176006602 /nfs/dbraw/zinc/00/66/02/176006602.db2.gz XTWYFYBYEHDNFG-MRVPVSSYSA-N 0 0 239.702 2.386 50 0 BEAARN C[C@@H](SC(F)(F)F)C(=O)NCC1CC1 ZINC000040514066 176007646 /nfs/dbraw/zinc/00/76/46/176007646.db2.gz HZXSHVCAPXIBQZ-RXMQYKEDSA-N 0 0 227.251 2.154 50 0 BEAARN C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)[O-] ZINC000082249579 176013648 /nfs/dbraw/zinc/01/36/48/176013648.db2.gz RPNWETGVFDFBSQ-ZETCQYMHSA-N 0 0 229.226 2.042 50 0 BEAARN C[C@@H](c1ccccc1)N1CN=NC1=S ZINC000020583452 176023657 /nfs/dbraw/zinc/02/36/57/176023657.db2.gz IYZFIFLYDCCUFS-QMMMGPOBSA-N 0 0 205.286 2.176 50 0 BEAARN C[C@@H](c1cccnc1)N(C)Cc1csnn1 ZINC000183718353 176029402 /nfs/dbraw/zinc/02/94/02/176029402.db2.gz ZKYZKNMGCJFXNF-VIFPVBQESA-N 0 0 234.328 2.126 50 0 BEAARN C[C@@H](c1nc(C2CC2)no1)N1CCCC1 ZINC000044974228 176038358 /nfs/dbraw/zinc/03/83/58/176038358.db2.gz PYUPBRSOQFXKMS-QMMMGPOBSA-N 0 0 207.277 2.104 50 0 BEAARN C[C@@H]1C(=O)N(CCC(C)(C)C)C(=O)[C@H]1C ZINC000195572898 176043889 /nfs/dbraw/zinc/04/38/89/176043889.db2.gz MHPSOYMHARAAOD-IUCAKERBSA-N 0 0 211.305 2.064 50 0 BEAARN C[C@@H]1CC(=O)C[C@@H]2c3ccccc3OC(=O)[C@H]12 ZINC000004671054 176048521 /nfs/dbraw/zinc/04/85/21/176048521.db2.gz ANOJDUHFBKNOAI-XTWCZFFVSA-N 0 0 230.263 2.304 50 0 BEAARN C[C@@H]1CC=NN1C(=S)Nc1ccccc1 ZINC000004676479 176061258 /nfs/dbraw/zinc/06/12/58/176061258.db2.gz HJLVLYBSZJORNY-SECBINFHSA-N 0 0 219.313 2.463 50 0 BEAARN C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000011864417 176072717 /nfs/dbraw/zinc/07/27/17/176072717.db2.gz XTYBWMHGFSKJEL-SECBINFHSA-N 0 0 223.272 2.352 50 0 BEAARN C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccn1 ZINC000047824100 176078935 /nfs/dbraw/zinc/07/89/35/176078935.db2.gz WZYVDHDGBNQEQH-NEPJUHHUSA-N 0 0 248.326 2.155 50 0 BEAARN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)n1cccn1 ZINC000040496964 176087581 /nfs/dbraw/zinc/08/75/81/176087581.db2.gz VKPKOVXGEYVTHX-IJLUTSLNSA-N 0 0 235.331 2.139 50 0 BEAARN C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000005672592 176095819 /nfs/dbraw/zinc/09/58/19/176095819.db2.gz QMACGMRTSBRYQY-SNVBAGLBSA-N 0 0 247.294 2.287 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)c2ccon2)CC1 ZINC000188924380 176143651 /nfs/dbraw/zinc/14/36/51/176143651.db2.gz CCIJOPQVZMTSRE-ZJUUUORDSA-N 0 0 222.288 2.373 50 0 BEAARN C[C@@H]1CCCc2sc3[nH]cnc(=O)c3c21 ZINC000017057436 176154210 /nfs/dbraw/zinc/15/42/10/176154210.db2.gz CXWKTYCQWBZDGO-ZCFIWIBFSA-N 0 0 220.297 2.424 50 0 BEAARN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1O ZINC000253396649 176174375 /nfs/dbraw/zinc/17/43/75/176174375.db2.gz BBHRTIFJOOBMSJ-NOZJJQNGSA-N 0 0 241.281 2.168 50 0 BEAARN C[C@@H]1CCN(Cc2ccccc2)CC1=O ZINC000038847047 176176159 /nfs/dbraw/zinc/17/61/59/176176159.db2.gz BSBVJNUGGBQEPO-LLVKDONJSA-N 0 0 203.285 2.098 50 0 BEAARN C[C@@H]1CC[C@H](COC(=O)c2ccoc2)O1 ZINC000095446122 176227896 /nfs/dbraw/zinc/22/78/96/176227896.db2.gz FBKKYUZIFOVWBS-PSASIEDQSA-N 0 0 210.229 2.004 50 0 BEAARN C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@@H](C)O1 ZINC000002856421 176245145 /nfs/dbraw/zinc/24/51/45/176245145.db2.gz UMVAVRMPPPMAQU-CHWSQXEVSA-N 0 0 247.338 2.255 50 0 BEAARN C[C@@H]1CN(C(=O)c2cccs2)C(C)(C)CO1 ZINC000036075956 176262756 /nfs/dbraw/zinc/26/27/56/176262756.db2.gz HNNJDXUMQBZHAW-SECBINFHSA-N 0 0 239.340 2.388 50 0 BEAARN C[C@@H]1C[C@@H](CNC(=O)Nc2cccnc2)CCO1 ZINC000095457622 176369088 /nfs/dbraw/zinc/36/90/88/176369088.db2.gz KBLYHTUHHRWCNZ-MNOVXSKESA-N 0 0 249.314 2.018 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N(C)c1nc2ccccc2n1C ZINC000097377805 176384886 /nfs/dbraw/zinc/38/48/86/176384886.db2.gz VHVNIXDJXNEZLR-ZJUUUORDSA-N 0 0 243.310 2.192 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000194750908 176386301 /nfs/dbraw/zinc/38/63/01/176386301.db2.gz KQRVPAGTJIGPEE-ZJNJWXDTSA-N 0 0 233.286 2.454 50 0 BEAARN C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000040457425 176386332 /nfs/dbraw/zinc/38/63/32/176386332.db2.gz SSVHQJDZKYMPPD-SKDRFNHKSA-N 0 0 221.275 2.140 50 0 BEAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCO1 ZINC000078795581 176408556 /nfs/dbraw/zinc/40/85/56/176408556.db2.gz QAXXGJLIECIBIL-VOAKCMCISA-N 0 0 237.343 2.345 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2occc21 ZINC000012925542 176431860 /nfs/dbraw/zinc/43/18/60/176431860.db2.gz RCFKXNULFSPASJ-FBIMIBRVSA-N 0 0 219.284 2.429 50 0 BEAARN C[C@@H]1CCC[C@H](NC(=O)CCn2cccn2)[C@H]1C ZINC000106560165 176494927 /nfs/dbraw/zinc/49/49/27/176494927.db2.gz XNLOBKHIBPEABL-AGIUHOORSA-N 0 0 249.358 2.214 50 0 BEAARN C[C@@]1(F)CCCN(C(=O)c2cccnc2)C1 ZINC000295558834 176535758 /nfs/dbraw/zinc/53/57/58/176535758.db2.gz LCSLQGLDFZYAMM-GFCCVEGCSA-N 0 0 222.263 2.046 50 0 BEAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)CS1 ZINC000004893326 176545994 /nfs/dbraw/zinc/54/59/94/176545994.db2.gz BIXRBYVMLQQWKE-SNVBAGLBSA-N 0 0 227.716 2.376 50 0 BEAARN C[C@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000011962362 176583337 /nfs/dbraw/zinc/58/33/37/176583337.db2.gz RURDNKWWNOLVMF-GFCCVEGCSA-N 0 0 247.338 2.414 50 0 BEAARN C[C@H](CCn1cccn1)OC(=O)c1ccoc1 ZINC000097050254 176643785 /nfs/dbraw/zinc/64/37/85/176643785.db2.gz DPEUQRGCEQSEND-SNVBAGLBSA-N 0 0 234.255 2.112 50 0 BEAARN C[C@H](Nc1ncccn1)c1ccc2c(c1)OCO2 ZINC000058368047 176940127 /nfs/dbraw/zinc/94/01/27/176940127.db2.gz JJEGVYTXKKLKMD-VIFPVBQESA-N 0 0 243.266 2.378 50 0 BEAARN C[C@H](O)c1ccc(Oc2cnccn2)cc1 ZINC000004108381 177017073 /nfs/dbraw/zinc/01/70/73/177017073.db2.gz VCRGSWFVKGVGHD-VIFPVBQESA-N 0 0 216.240 2.322 50 0 BEAARN C[C@H](O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000035646044 177017425 /nfs/dbraw/zinc/01/74/25/177017425.db2.gz NAENVABPRSOQSB-JTQLQIEISA-N 0 0 242.278 2.387 50 0 BEAARN C[C@H](OCC1CC1)C(=O)N1CCC[C@@H](C)C1 ZINC000119535108 177020224 /nfs/dbraw/zinc/02/02/24/177020224.db2.gz ONLGCIZUVIEQQF-MNOVXSKESA-N 0 0 225.332 2.060 50 0 BEAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccncc1 ZINC000000030670 177024658 /nfs/dbraw/zinc/02/46/58/177024658.db2.gz UABOLCGPVMFSLX-NSHDSACASA-N 0 0 242.278 2.488 50 0 BEAARN C[C@H](SC[C@@H](O)CO)c1ccccc1Cl ZINC000095407561 177027670 /nfs/dbraw/zinc/02/76/70/177027670.db2.gz CBFZXGWCUUALQN-IUCAKERBSA-N 0 0 246.759 2.487 50 0 BEAARN C[C@H](c1nncn1-c1ccccc1)n1cccn1 ZINC000067817932 177054094 /nfs/dbraw/zinc/05/40/94/177054094.db2.gz WRYAAVGTHIBGRZ-LLVKDONJSA-N 0 0 239.282 2.073 50 0 BEAARN C[C@H]1C(=O)CCCN1Cc1ccccc1 ZINC000068592826 177056352 /nfs/dbraw/zinc/05/63/52/177056352.db2.gz WYHHURGFXKJVKA-NSHDSACASA-N 0 0 203.285 2.240 50 0 BEAARN C[C@H]1CC=NN1C(=S)Nc1ccccc1 ZINC000004676481 177069098 /nfs/dbraw/zinc/06/90/98/177069098.db2.gz HJLVLYBSZJORNY-VIFPVBQESA-N 0 0 219.313 2.463 50 0 BEAARN C[C@H]1CCCCN1C(=O)NCC[C@@H]1CCCO1 ZINC000071925625 177073207 /nfs/dbraw/zinc/07/32/07/177073207.db2.gz JDBYKZAQKFGNDU-RYUDHWBXSA-N 0 0 240.347 2.140 50 0 BEAARN C[C@H]1CCCC[C@H]1OCCNC(=O)C1CC1 ZINC000040108280 177089591 /nfs/dbraw/zinc/08/95/91/177089591.db2.gz IRCUBLHLRPNCNJ-CMPLNLGQSA-N 0 0 225.332 2.108 50 0 BEAARN C[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000032873656 177092228 /nfs/dbraw/zinc/09/22/28/177092228.db2.gz JXHREVOMJPSJNB-NSHDSACASA-N 0 0 221.300 2.471 50 0 BEAARN C[C@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1 ZINC000040513676 177095527 /nfs/dbraw/zinc/09/55/27/177095527.db2.gz OIHBMEBIGWWMPH-NSHDSACASA-N 0 0 247.342 2.020 50 0 BEAARN C[C@H]1CCC[C@H](C)N1Cn1ncn(C)c1=S ZINC000003276957 177132201 /nfs/dbraw/zinc/13/22/01/177132201.db2.gz TXDUKDIGBMQASO-UWVGGRQHSA-N 0 0 240.376 2.171 50 0 BEAARN C[C@H]1CCC[C@H](CCn2ncccc2=O)C1 ZINC000195417879 177132955 /nfs/dbraw/zinc/13/29/55/177132955.db2.gz RZIXIEBXGSTWQJ-NWDGAFQWSA-N 0 0 220.316 2.460 50 0 BEAARN C[C@H]1CCN(C(=O)NCc2ccoc2)C[C@H]1C ZINC000179304726 177150253 /nfs/dbraw/zinc/15/02/53/177150253.db2.gz KPWCPHNQQPMQQA-WDEREUQCSA-N 0 0 236.315 2.467 50 0 BEAARN C[C@H]1CCO[C@H]1C(=O)Nc1ncccc1Cl ZINC000195552817 177179801 /nfs/dbraw/zinc/17/98/01/177179801.db2.gz PNHZRXVYZNPDSK-IONNQARKSA-N 0 0 240.690 2.099 50 0 BEAARN C[C@H]1CN(C(=O)CC2CCCC2)C[C@H](C)O1 ZINC000003258470 177214141 /nfs/dbraw/zinc/21/41/41/177214141.db2.gz NPSIAOPIMUGOAK-QWRGUYRKSA-N 0 0 225.332 2.203 50 0 BEAARN C[C@H]1CN(C(=O)c2ccccc2F)C[C@H](C)O1 ZINC000000029748 177228482 /nfs/dbraw/zinc/22/84/82/177228482.db2.gz WIRZYKIFMJGHTQ-UWVGGRQHSA-N 0 0 237.274 2.075 50 0 BEAARN C[C@H]1CN(C)N[C@@H](c2ccccc2)S1 ZINC000102195095 177238611 /nfs/dbraw/zinc/23/86/11/177238611.db2.gz RGECSILYOSYVJM-GXSJLCMTSA-N 0 0 208.330 2.257 50 0 BEAARN C[C@@H]1CN(CC(=O)c2cccs2)C[C@H](C)O1 ZINC000012409071 177244798 /nfs/dbraw/zinc/24/47/98/177244798.db2.gz FBZPIFAWZWCJQW-AOOOYVTPSA-N 0 0 239.340 2.040 50 0 BEAARN C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000019398957 177261893 /nfs/dbraw/zinc/26/18/93/177261893.db2.gz AXOVDTKFYUKNAE-UWVGGRQHSA-N 0 0 240.734 2.344 50 0 BEAARN C[C@H]1CN(Cc2cncs2)C(C)(C)CO1 ZINC000097139475 177269206 /nfs/dbraw/zinc/26/92/06/177269206.db2.gz YUCVMCRUUJAJJV-VIFPVBQESA-N 0 0 226.345 2.142 50 0 BEAARN C[C@H]1CN(Cc2cscn2)C[C@H](C)S1 ZINC000098015858 177271082 /nfs/dbraw/zinc/27/10/82/177271082.db2.gz GTUHFJUZVODZDL-IUCAKERBSA-N 0 0 228.386 2.469 50 0 BEAARN C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1F ZINC000012979415 177339629 /nfs/dbraw/zinc/33/96/29/177339629.db2.gz NDKGSXPHKMSDJX-ONGXEEELSA-N 0 0 221.275 2.440 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCCc1ccccc1 ZINC000013327821 177376372 /nfs/dbraw/zinc/37/63/72/177376372.db2.gz HLIGIRHLLXJEBJ-CMPLNLGQSA-N 0 0 203.285 2.001 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005555649 177376705 /nfs/dbraw/zinc/37/67/05/177376705.db2.gz IUNLWISKZNCPQG-IONNQARKSA-N 0 0 219.240 2.010 50 0 BEAARN C[C@H]1C[C@H]1C(=O)NCc1ccccc1F ZINC000021269946 177377037 /nfs/dbraw/zinc/37/70/37/177377037.db2.gz ZSUNDFGRFWRAHX-WCBMZHEXSA-N 0 0 207.248 2.098 50 0 BEAARN C[C@H]1C[C@H]1C(=O)Nc1ccccc1C[NH+](C)C ZINC000024809721 177377347 /nfs/dbraw/zinc/37/73/47/177377347.db2.gz JWAIKRXJJRYWQJ-CMPLNLGQSA-N 0 0 232.327 2.343 50 0 BEAARN C[C@H]1Cc2c(Br)cccc2C(=O)N1 ZINC000070587825 177388278 /nfs/dbraw/zinc/38/82/78/177388278.db2.gz TXSSOAPEHHIASE-LURJTMIESA-N 0 0 240.100 2.124 50 0 BEAARN C[C@H]1Cn2c(nnc2-c2cccc(N)c2)S1 ZINC000000105604 177392232 /nfs/dbraw/zinc/39/22/32/177392232.db2.gz VLBWKJSSFSOVEN-ZETCQYMHSA-N 0 0 232.312 2.022 50 0 BEAARN Cc1[nH]ccc1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000089536729 177522511 /nfs/dbraw/zinc/52/25/11/177522511.db2.gz PLPWAAHGWYBNPK-GHMZBOCLSA-N 0 0 218.300 2.195 50 0 BEAARN Cc1c(C(=O)N2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000012886230 177562109 /nfs/dbraw/zinc/56/21/09/177562109.db2.gz XVYWAJBEFBQURX-UHFFFAOYSA-N 0 0 246.310 2.078 50 0 BEAARN Cc1c(C(=O)c2ccccc2)cnc2ccnn21 ZINC000067640868 177574235 /nfs/dbraw/zinc/57/42/35/177574235.db2.gz LDKNPTXSGRAHJS-UHFFFAOYSA-N 0 0 237.262 2.269 50 0 BEAARN Cc1c(N)cccc1NC(=O)c1ccncc1 ZINC000022147661 177614120 /nfs/dbraw/zinc/61/41/20/177614120.db2.gz VJXSSENPFPBRPN-UHFFFAOYSA-N 0 0 227.267 2.225 50 0 BEAARN COc1cccc(CN[C@H](C)c2cn[nH]c2)c1F ZINC000669683875 487647450 /nfs/dbraw/zinc/64/74/50/487647450.db2.gz BUIQOZYWVYAYOC-SECBINFHSA-N 0 0 249.289 2.408 50 0 BEAARN OC1CC23CC(O)CC2(C1)CCCCC3 ZINC000045072060 262790426 /nfs/dbraw/zinc/79/04/26/262790426.db2.gz OQGOYXLCNMLZIU-UHFFFAOYSA-N 0 0 210.317 2.233 50 0 BEAARN CCCCN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000102846824 487701077 /nfs/dbraw/zinc/70/10/77/487701077.db2.gz SHHQWCFPXBMQNF-VHSXEESVSA-N 0 0 241.718 2.304 50 0 BEAARN COc1ccc(N[C@H](C)C2CCOCC2)cn1 ZINC000097104541 487831777 /nfs/dbraw/zinc/83/17/77/487831777.db2.gz LYFCRJHHGVIOOD-SNVBAGLBSA-N 0 0 236.315 2.317 50 0 BEAARN C[C@@H]1C[C@H]1C(=O)NCCc1ccccc1F ZINC000045293370 487834208 /nfs/dbraw/zinc/83/42/08/487834208.db2.gz CGUXFWWFPRLSKX-MWLCHTKSSA-N 0 0 221.275 2.140 50 0 BEAARN COC(=O)c1c(C)cccc1NC(=O)C(C)C ZINC000048311675 487897409 /nfs/dbraw/zinc/89/74/09/487897409.db2.gz IGETYXZMIALMLH-UHFFFAOYSA-N 0 0 235.283 2.376 50 0 BEAARN CC(=O)c1nc(Br)ccc1F ZINC000117322271 322988587 /nfs/dbraw/zinc/98/85/87/322988587.db2.gz MXBFVOYREPRONK-UHFFFAOYSA-N 0 0 218.025 2.186 50 0 BEAARN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H](C)S1 ZINC000531135500 323032588 /nfs/dbraw/zinc/03/25/88/323032588.db2.gz UYWPEYIDKMHZRM-YYNVLWEHSA-N 0 0 239.384 2.385 50 0 BEAARN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@@H](C)S1 ZINC000531135498 323032685 /nfs/dbraw/zinc/03/26/85/323032685.db2.gz UYWPEYIDKMHZRM-JCIQBVFBSA-N 0 0 239.384 2.385 50 0 BEAARN CC(C)(C)c1ccc(Nc2cnnc(=O)[nH]2)cc1 ZINC000012112613 323080599 /nfs/dbraw/zinc/08/05/99/323080599.db2.gz ZLBXYUSCKTYDNW-UHFFFAOYSA-N 0 0 244.298 2.206 50 0 BEAARN c1nc(CNC2CSCCSC2)cs1 ZINC000534583473 323153969 /nfs/dbraw/zinc/15/39/69/323153969.db2.gz YIDCOVJMTMHUFY-UHFFFAOYSA-N 0 0 246.426 2.081 50 0 BEAARN CCc1ccc2c(c1)C(=O)N(C)[C@@H](CC)C(=O)N2 ZINC000534638573 323157139 /nfs/dbraw/zinc/15/71/39/323157139.db2.gz OQDDBQZUGUXIIB-LBPRGKRZSA-N 0 0 246.310 2.052 50 0 BEAARN O=C(C[C@H]1CCOC1)NC1(C2CCCC2)CC1 ZINC000534667016 323158402 /nfs/dbraw/zinc/15/84/02/323158402.db2.gz HHPOAXUJZHQIHL-LLVKDONJSA-N 0 0 237.343 2.252 50 0 BEAARN CC(C)SCC(=O)NCC[C@@H]1CCCOC1 ZINC000534676755 323159159 /nfs/dbraw/zinc/15/91/59/323159159.db2.gz YPTLZJCSSOUBSS-NSHDSACASA-N 0 0 245.388 2.061 50 0 BEAARN CCOC(=O)[C@H]1CCCc2ccccc2[C@H]1O ZINC000043198973 323236827 /nfs/dbraw/zinc/23/68/27/323236827.db2.gz XMLSLHNKCHYIOP-QWHCGFSZSA-N 0 0 234.295 2.236 50 0 BEAARN COc1nc(-c2ccccc2Cl)no1 ZINC000069389700 324944068 /nfs/dbraw/zinc/94/40/68/324944068.db2.gz BSQMNQUFRFJWGC-UHFFFAOYSA-N 0 0 210.620 2.399 50 0 BEAARN O=C(NCCc1ccc[nH]1)c1ccncc1Cl ZINC000089352087 325665272 /nfs/dbraw/zinc/66/52/72/325665272.db2.gz OGCPEMIADOSQGR-UHFFFAOYSA-N 0 0 249.701 2.036 50 0 BEAARN O=C(c1cc(Cl)ccn1)C(F)(F)F ZINC000091356061 488030698 /nfs/dbraw/zinc/03/06/98/488030698.db2.gz GVZHTULAQCNBCU-UHFFFAOYSA-N 0 0 209.554 2.480 50 0 BEAARN Cc1cccc(CN2C(=O)N[C@@H](C(C)C)C2=O)c1 ZINC000012984082 488054297 /nfs/dbraw/zinc/05/42/97/488054297.db2.gz UPOOBQUMTKZHRJ-LBPRGKRZSA-N 0 0 246.310 2.071 50 0 BEAARN Cc1cc(C)cc(-n2ncnc2[C@H]2CCOC2)c1 ZINC000091563410 488056440 /nfs/dbraw/zinc/05/64/40/488056440.db2.gz CDHDYZPXXPJKJE-LBPRGKRZSA-N 0 0 243.310 2.388 50 0 BEAARN Fc1cnc(NCC2(c3ccncc3)CC2)nc1 ZINC000091624398 488056935 /nfs/dbraw/zinc/05/69/35/488056935.db2.gz KVUZRDUWQTVOHR-UHFFFAOYSA-N 0 0 244.273 2.154 50 0 BEAARN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CC1 ZINC000084640682 488075160 /nfs/dbraw/zinc/07/51/60/488075160.db2.gz GXGQIOTUVYBAGD-SNVBAGLBSA-N 0 0 248.326 2.127 50 0 BEAARN CC[C@@]1(CO)CCCN(c2ccncc2F)C1 ZINC000092106967 488081778 /nfs/dbraw/zinc/08/17/78/488081778.db2.gz ALIXLWFJYRSGBC-CYBMUJFWSA-N 0 0 238.306 2.210 50 0 BEAARN CC[C@@H](C)C(=O)NCC(=O)O[C@H](C)CC(C)C ZINC000084721274 488084219 /nfs/dbraw/zinc/08/42/19/488084219.db2.gz GDODYPIUPOBQBO-GHMZBOCLSA-N 0 0 243.347 2.127 50 0 BEAARN CCC1(CC)CN(Cc2cnc(C)cn2)CCO1 ZINC000670441042 487489163 /nfs/dbraw/zinc/48/91/63/487489163.db2.gz CWIBDMLMTANOHP-UHFFFAOYSA-N 0 0 249.358 2.176 50 0 BEAARN CC[C@H](NC(=O)c1ccon1)c1cccc(C)n1 ZINC000670447690 487497990 /nfs/dbraw/zinc/49/79/90/487497990.db2.gz ZROAOVJBYLZTBS-JTQLQIEISA-N 0 0 245.282 2.259 50 0 BEAARN Cc1cnc(CN2CCO[C@H](CC(C)C)C2)cn1 ZINC000670458235 487510708 /nfs/dbraw/zinc/51/07/08/487510708.db2.gz OVJQWQVWFIABAQ-CQSZACIVSA-N 0 0 249.358 2.032 50 0 BEAARN CCCCn1nc(COC)nc1-c1ccncc1 ZINC000670463617 487517252 /nfs/dbraw/zinc/51/72/52/487517252.db2.gz LCZJZYGBORLDJT-UHFFFAOYSA-N 0 0 246.314 2.287 50 0 BEAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000005900584 487521901 /nfs/dbraw/zinc/52/19/01/487521901.db2.gz UWDFEVOJJPJGLF-LBPRGKRZSA-N 0 0 233.267 2.007 50 0 BEAARN Cc1nc(-c2c(C)ncn2C)n(C(C)(C)C)n1 ZINC000670468716 487523479 /nfs/dbraw/zinc/52/34/79/487523479.db2.gz BXOVNDPZDVWDJI-UHFFFAOYSA-N 0 0 233.319 2.050 50 0 BEAARN C[C@@H](C1CC1)[N@H+](CC(=O)[O-])Cc1ccccc1 ZINC000237508612 488047758 /nfs/dbraw/zinc/04/77/58/488047758.db2.gz LBISHEJXFTYVHQ-NSHDSACASA-N 0 0 233.311 2.372 50 0 BEAARN COC(=O)c1cc(C(C)(C)C)sc1N ZINC000034580016 490106279 /nfs/dbraw/zinc/10/62/79/490106279.db2.gz FMRKIVIZYXHGAO-UHFFFAOYSA-N 0 0 213.302 2.414 50 0 BEAARN CC[C@@H](O)Cn1nc(C(C)C)nc1C1CCC1 ZINC000670458868 490299482 /nfs/dbraw/zinc/29/94/82/490299482.db2.gz IHJPIYBUJQMYQD-LLVKDONJSA-N 0 0 237.347 2.440 50 0 BEAARN COC(=O)[C@@H](NCc1ccsc1)C(C)(C)C ZINC000097162279 490326329 /nfs/dbraw/zinc/32/63/29/490326329.db2.gz MNOPMORBIRYDBI-SNVBAGLBSA-N 0 0 241.356 2.425 50 0 BEAARN CC[C@@H](C)[C@H](O)CNc1cccc(C)n1 ZINC000157543004 491087094 /nfs/dbraw/zinc/08/70/94/491087094.db2.gz XQEGDIUYULCXIN-MWLCHTKSSA-N 0 0 208.305 2.209 50 0 BEAARN CC(C)c1cnc(N2CC[C@@H](C(C)(C)O)C2)nc1 ZINC000670459553 491106396 /nfs/dbraw/zinc/10/63/96/491106396.db2.gz UGQAZMLZMVETET-GFCCVEGCSA-N 0 0 249.358 2.197 50 0 BEAARN COC(=O)Cc1ccc(-c2ccccn2)cc1 ZINC000038854475 491110233 /nfs/dbraw/zinc/11/02/33/491110233.db2.gz NZYZPIFLGYZYJD-UHFFFAOYSA-N 0 0 227.263 2.464 50 0 BEAARN Cc1cc(C2CCC2)nc(N[C@@H]2CCOC2)n1 ZINC000071754683 491121874 /nfs/dbraw/zinc/12/18/74/491121874.db2.gz UPDAEBYJEHNVHR-LLVKDONJSA-N 0 0 233.315 2.253 50 0 BEAARN Cc1cnc(CNc2ccc3cc[nH]c3n2)cn1 ZINC000072121621 491122340 /nfs/dbraw/zinc/12/23/40/491122340.db2.gz MVUHXVURHOIWOA-UHFFFAOYSA-N 0 0 239.282 2.273 50 0 BEAARN CCCC[C@H](CC)C(=O)NC[C@H]1CCCO1 ZINC000002741662 521160230 /nfs/dbraw/zinc/16/02/30/521160230.db2.gz PVEUPUAPZWVDHP-NWDGAFQWSA-N 0 0 227.348 2.498 50 0 BEAARN CCCC(=O)O[C@H](C)c1nc(C2CC2)no1 ZINC000060794233 519881415 /nfs/dbraw/zinc/88/14/15/519881415.db2.gz PNSABJZZLHSABJ-SSDOTTSWSA-N 0 0 224.260 2.351 50 0 BEAARN CCCCOCCCNC(=O)c1ccco1 ZINC000002739625 520755536 /nfs/dbraw/zinc/75/55/36/520755536.db2.gz WCAFLCCAORVITL-UHFFFAOYSA-N 0 0 225.288 2.216 50 0 BEAARN COCCSCc1noc(-c2ccoc2)n1 ZINC000089420238 521777641 /nfs/dbraw/zinc/77/76/41/521777641.db2.gz AKCAXKYRMLYPEP-UHFFFAOYSA-N 0 0 240.284 2.209 50 0 BEAARN CCc1noc(CN(C)Cc2ccccc2F)n1 ZINC000069451376 522897059 /nfs/dbraw/zinc/89/70/59/522897059.db2.gz MNQYVHBIQSEQSS-UHFFFAOYSA-N 0 0 249.289 2.403 50 0 BEAARN CN(Cc1ccco1)C(=O)c1cc(C2CC2)on1 ZINC000069350404 523433517 /nfs/dbraw/zinc/43/35/17/523433517.db2.gz JUSGUDILQQHQJX-UHFFFAOYSA-N 0 0 246.266 2.417 50 0 BEAARN CN(Cc1ccno1)[C@H](CCO)c1ccccc1 ZINC000072772814 523466928 /nfs/dbraw/zinc/46/69/28/523466928.db2.gz ANSVMSRUTQCYFJ-CQSZACIVSA-N 0 0 246.310 2.230 50 0 BEAARN COC(=O)C1=C(O)CC[C@H](C(C)(C)C)C1 ZINC000084199438 523761708 /nfs/dbraw/zinc/76/17/08/523761708.db2.gz VIIDTQNSMYMAIY-DTWKUNHWSA-N 0 0 212.289 2.191 50 0 BEAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1C[C@H]1C ZINC000246724986 524642444 /nfs/dbraw/zinc/64/24/44/524642444.db2.gz UAAQTDBOUWOZSO-OXHZDVMGSA-N 0 0 247.338 2.271 50 0 BEAARN Cc1ccc(OCCN(C)C(=O)[C@@H]2C[C@H]2C)cc1 ZINC000040001080 525416195 /nfs/dbraw/zinc/41/61/95/525416195.db2.gz NIIFKDHUSNQLMD-TZMCWYRMSA-N 0 0 247.338 2.488 50 0 BEAARN O=C(C1CCC1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000257177878 526294701 /nfs/dbraw/zinc/29/47/01/526294701.db2.gz FLTGLMRMDQWKMU-CQSZACIVSA-N 0 0 245.322 2.466 50 0 BEAARN Cc1nnc(CN2CC[C@H]2c2ccc(F)cc2)o1 ZINC000244884363 526340901 /nfs/dbraw/zinc/34/09/01/526340901.db2.gz YLDNZLGEERNHCW-LBPRGKRZSA-N 0 0 247.273 2.464 50 0 BEAARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000498050892 526402389 /nfs/dbraw/zinc/40/23/89/526402389.db2.gz LBNUWTQWUYDRNB-SNVBAGLBSA-N 0 0 237.303 2.482 50 0 BEAARN NC(=O)Nc1c(Cl)cccc1Cl ZINC000083847726 526947157 /nfs/dbraw/zinc/94/71/57/526947157.db2.gz OODROUUHJQWALW-UHFFFAOYSA-N 0 0 205.044 2.484 50 0 BEAARN O=C(COc1cccc(F)c1)NCc1ccco1 ZINC000017304927 526977707 /nfs/dbraw/zinc/97/77/07/526977707.db2.gz ULRIHFAGLNZHAY-UHFFFAOYSA-N 0 0 249.241 2.114 50 0 BEAARN O=C1C[C@@H](c2ccc(Br)cc2)N1 ZINC000084128145 527023401 /nfs/dbraw/zinc/02/34/01/527023401.db2.gz YSIKXVRYGIZALB-QMMMGPOBSA-N 0 0 226.073 2.010 50 0 BEAARN Nc1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000165947907 527539673 /nfs/dbraw/zinc/53/96/73/527539673.db2.gz AGFAAXQMRYPNMV-UHFFFAOYSA-N 0 0 225.654 2.306 50 0 BEAARN O[C@@H](CNc1ccc(F)cn1)Cc1ccccc1 ZINC000253415454 527655666 /nfs/dbraw/zinc/65/56/66/527655666.db2.gz FKJSJGOKCGLHSJ-CYBMUJFWSA-N 0 0 246.285 2.236 50 0 BEAARN CC(C)n1ccc(C(=O)N[C@@H]2CCC[C@@H]2F)n1 ZINC000336023063 535089266 /nfs/dbraw/zinc/08/92/66/535089266.db2.gz KZDLWTGAMNJSEU-VHSXEESVSA-N 0 0 239.294 2.084 50 0 BEAARN CC1CN(C(=O)[C@H]2CCCCC2(F)F)C1 ZINC000335577240 535291147 /nfs/dbraw/zinc/29/11/47/535291147.db2.gz UJCRARAGFDGFDX-SECBINFHSA-N 0 0 217.259 2.290 50 0 BEAARN CC1(C)CCc2sc(N3CCOCC3)nc21 ZINC000334603034 535331603 /nfs/dbraw/zinc/33/16/03/535331603.db2.gz OHDAFLOIHPAQTJ-UHFFFAOYSA-N 0 0 238.356 2.204 50 0 BEAARN CC[C@@]1(C)CN(c2cc(C)ccn2)CCO1 ZINC000276046860 536060065 /nfs/dbraw/zinc/06/00/65/536060065.db2.gz ODRMLUGEGVKEBY-ZDUSSCGKSA-N 0 0 220.316 2.395 50 0 BEAARN COC(=O)c1ccc2c(c1)CCCCN2 ZINC000115698499 537905257 /nfs/dbraw/zinc/90/52/57/537905257.db2.gz VBECDLULMQOODI-UHFFFAOYSA-N 0 0 205.257 2.221 50 0 BEAARN c1cc2nc(-c3nc(C4CCC4)no3)ccn2n1 ZINC000685943610 537932751 /nfs/dbraw/zinc/93/27/51/537932751.db2.gz ZXTYZQBMPVLMCO-UHFFFAOYSA-N 0 0 241.254 2.047 50 0 BEAARN CC[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000013948957 566478116 /nfs/dbraw/zinc/47/81/16/566478116.db2.gz BJBFVXVGFMWRFF-SECBINFHSA-N 0 0 227.329 2.108 50 0 BEAARN C1CC1c1noc(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000098019116 566473448 /nfs/dbraw/zinc/47/34/48/566473448.db2.gz QXNIGHYTTLBUKF-UWVGGRQHSA-N 0 0 219.288 2.183 50 0 BEAARN CC(C)(C)c1ccc(NC(=O)N2CCCC2)nn1 ZINC000098020435 566473622 /nfs/dbraw/zinc/47/36/22/566473622.db2.gz NESLTRSIASZUTA-UHFFFAOYSA-N 0 0 248.330 2.402 50 0 BEAARN COCCn1cc(-c2ncccc2Cl)cn1 ZINC000888099563 583181050 /nfs/dbraw/zinc/18/10/50/583181050.db2.gz AWGQSEMMEKVBSU-UHFFFAOYSA-N 0 0 237.690 2.245 50 0 BEAARN CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000000488387 582965832 /nfs/dbraw/zinc/96/58/32/582965832.db2.gz WJIFPSFOSMKSAB-UHFFFAOYSA-N 0 0 236.702 2.500 50 0 BEAARN C/C=C\C(=O)OCC(=O)Nc1cc(C)ccc1C ZINC000006502635 583110983 /nfs/dbraw/zinc/11/09/83/583110983.db2.gz NMMATILOKNOFNM-PLNGDYQASA-N 0 0 247.294 2.361 50 0 BEAARN C=CC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000888098995 583180827 /nfs/dbraw/zinc/18/08/27/583180827.db2.gz ZAWOGSOJUVRTCB-UHFFFAOYSA-N 0 0 223.316 2.123 50 0 BEAARN C=CC(=O)Nc1ccc2sncc2c1 ZINC000888098826 583180857 /nfs/dbraw/zinc/18/08/57/583180857.db2.gz VYXZMSHSSRXQPP-UHFFFAOYSA-N 0 0 204.254 2.421 50 0 BEAARN C=CC(=O)N1CCCOc2ccc(C)cc21 ZINC000888098902 583180928 /nfs/dbraw/zinc/18/09/28/583180928.db2.gz WVPYSZIAPRFEDP-UHFFFAOYSA-N 0 0 217.268 2.297 50 0 BEAARN C=CC(=O)NC[C@@H]1CCc2ccccc21 ZINC000888102396 583182508 /nfs/dbraw/zinc/18/25/08/583182508.db2.gz UTWYGEYVWRFMCK-NSHDSACASA-N 0 0 201.269 2.019 50 0 BEAARN CC(C)[C@@](C)(O)CNc1cccc(F)n1 ZINC000075050855 583974604 /nfs/dbraw/zinc/97/46/04/583974604.db2.gz CGGZNOTWVIIQHL-NSHDSACASA-N 0 0 212.268 2.040 50 0 BEAARN C=CC(=O)N[C@H]1C[C@H](OCC)C12CCCC2 ZINC000791377752 585979455 /nfs/dbraw/zinc/97/94/55/585979455.db2.gz VGSJLFHHQXFYQQ-QWRGUYRKSA-N 0 0 223.316 2.026 50 0 BEAARN C=CC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000848978984 588422689 /nfs/dbraw/zinc/42/26/89/588422689.db2.gz GBTDCKIPILNTSR-JSGCOSHPSA-N 0 0 249.285 2.348 50 0 BEAARN C=CC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000848979151 588422768 /nfs/dbraw/zinc/42/27/68/588422768.db2.gz GZDMOAGERHNOCP-SECBINFHSA-N 0 0 249.314 2.481 50 0 BEAARN C=CC(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000848979251 588422772 /nfs/dbraw/zinc/42/27/72/588422772.db2.gz RETNQBYMUKIKTQ-SNVBAGLBSA-N 0 0 247.298 2.187 50 0 BEAARN C=CC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000848979015 588422914 /nfs/dbraw/zinc/42/29/14/588422914.db2.gz IAWAMSLMSGLQSR-OCCSQVGLSA-N 0 0 231.295 2.209 50 0 BEAARN C=CC(=O)N[C@@H]1CSc2ccccc21 ZINC000863970128 589329639 /nfs/dbraw/zinc/32/96/39/589329639.db2.gz ALFJMPKXYBXUAH-SECBINFHSA-N 0 0 205.282 2.136 50 0 BEAARN C=CC(=O)N1Cc2ccc(Cl)cc2C1 ZINC000863970413 589329957 /nfs/dbraw/zinc/32/99/57/589329957.db2.gz IQYHTHRYYULWGA-UHFFFAOYSA-N 0 0 207.660 2.368 50 0 BEAARN C=CC(=O)N1CCc2cccc(Cl)c2C1 ZINC000863971209 589330071 /nfs/dbraw/zinc/33/00/71/589330071.db2.gz JGOILDSOAAMWSX-UHFFFAOYSA-N 0 0 221.687 2.411 50 0 BEAARN C=CC(=O)N[C@H]1CCCc2nc(C)sc21 ZINC000863971237 589330183 /nfs/dbraw/zinc/33/01/83/589330183.db2.gz KWSNVHVOFNNSRL-VIFPVBQESA-N 0 0 222.313 2.131 50 0 BEAARN C=CC(=O)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000863971057 589330300 /nfs/dbraw/zinc/33/03/00/589330300.db2.gz DCYNGHMRYKCEFR-JTQLQIEISA-N 0 0 233.286 2.500 50 0 BEAARN C=CC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000863971434 589330704 /nfs/dbraw/zinc/33/07/04/589330704.db2.gz SZGICWRBDLZGMI-SECBINFHSA-N 0 0 223.659 2.076 50 0 BEAARN C=CC(=O)N1CCOc2c(C)cc(C)cc21 ZINC000863971464 589330764 /nfs/dbraw/zinc/33/07/64/589330764.db2.gz UJRIRXGFNQHVJD-UHFFFAOYSA-N 0 0 217.268 2.215 50 0 BEAARN CCn1cnnc1NCc1ccc(F)c(F)c1 ZINC000871001680 589708702 /nfs/dbraw/zinc/70/87/02/589708702.db2.gz GEDMEESUHSTYRB-UHFFFAOYSA-N 0 0 238.241 2.188 50 0 BEAARN Cn1ccnc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000871596260 589771436 /nfs/dbraw/zinc/77/14/36/589771436.db2.gz AVGZHGUVCILLEK-CYBMUJFWSA-N 0 0 244.294 2.255 50 0 BEAARN Nc1cc(-c2ccc(Br)o2)[nH]n1 ZINC000019487309 589939756 /nfs/dbraw/zinc/93/97/56/589939756.db2.gz JWLTUNHSNWSTDG-UHFFFAOYSA-N 0 0 228.049 2.014 50 0 BEAARN O=C1CCCc2c1cnn2-c1ccccc1 ZINC000000018556 591707090 /nfs/dbraw/zinc/70/70/90/591707090.db2.gz PSXCLWPFIRHOJO-UHFFFAOYSA-N 0 0 212.252 2.391 50 0 BEAARN O=C(O[C@@H]1CCCC(=O)C1)c1ccccc1 ZINC000140374411 592468314 /nfs/dbraw/zinc/46/83/14/592468314.db2.gz SWVSKVATFCRHJX-GFCCVEGCSA-N 0 0 218.252 2.355 50 0 BEAARN CC(=O)Nc1ccccc1-c1noc(C)n1 ZINC000076162797 631288504 /nfs/dbraw/zinc/28/85/04/631288504.db2.gz KIIQPHYXPNJOFZ-UHFFFAOYSA-N 0 0 217.228 2.003 50 0 BEAARN C[C@@H]1Oc2ccccc2O[C@]1(O)c1ccccn1 ZINC000000041333 631316200 /nfs/dbraw/zinc/31/62/00/631316200.db2.gz AUKQTOHWBPYLGE-HZMBPMFUSA-N 0 0 243.262 2.087 50 0 BEAARN CCn1nc(-c2cc(C)cc(F)c2)nc1N(C)C ZINC000426531503 635727097 /nfs/dbraw/zinc/72/70/97/635727097.db2.gz AEUJSHWIVFBIEO-UHFFFAOYSA-N 0 0 248.305 2.479 50 0 BEAARN Cc1n[nH]c(C)c1-c1cncc(C(C)(C)O)c1 ZINC000426705695 635759543 /nfs/dbraw/zinc/75/95/43/635759543.db2.gz MPTHYKSBBAUQII-UHFFFAOYSA-N 0 0 231.299 2.316 50 0 BEAARN C[C@H](C[NH2+][C@@H](C)c1ccccc1)C(=O)[O-] ZINC000000270458 632947936 /nfs/dbraw/zinc/94/79/36/632947936.db2.gz RLDYLNBTVOECPS-ZJUUUORDSA-N 0 0 207.273 2.058 50 0 BEAARN Cc1cc(C)n(C(=O)c2ccccc2C)n1 ZINC000005943158 635293516 /nfs/dbraw/zinc/29/35/16/635293516.db2.gz VFJINESDGVRQDM-UHFFFAOYSA-N 0 0 214.268 2.497 50 0 BEAARN C=CC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000888093253 635364037 /nfs/dbraw/zinc/36/40/37/635364037.db2.gz WQTNEJOCLGDWLE-ZDUSSCGKSA-N 0 0 215.296 2.264 50 0 BEAARN C=CC(=O)Nc1ccc2cccc(OC)c2n1 ZINC000888098465 635375862 /nfs/dbraw/zinc/37/58/62/635375862.db2.gz IKPDKUWESZADIC-UHFFFAOYSA-N 0 0 228.251 2.368 50 0 BEAARN COCc1nc(-c2cccc3cnccc32)n[nH]1 ZINC000426511542 635725756 /nfs/dbraw/zinc/72/57/56/635725756.db2.gz CTHZZLBDVSEJIH-UHFFFAOYSA-N 0 0 240.266 2.166 50 0 BEAARN C=CC(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000863971487 636733136 /nfs/dbraw/zinc/73/31/36/636733136.db2.gz VFEZUZDMSSANJL-ZDUSSCGKSA-N 0 0 228.295 2.321 50 0 BEAARN O=C([O-])[C@@H]1CCC[C@@H](C2CCCCC2)[NH2+]1 ZINC000163959844 640430469 /nfs/dbraw/zinc/43/04/69/640430469.db2.gz BJBYQSKVOHCNGF-QWRGUYRKSA-N 0 0 211.305 2.162 50 0 BEAARN Cc1noc(-c2c[nH]nc2-c2ccccc2)n1 ZINC000032511620 641340398 /nfs/dbraw/zinc/34/03/98/641340398.db2.gz VVZKGVIBLJKRSB-UHFFFAOYSA-N 0 0 226.239 2.435 50 0 BEAARN CC(=O)Oc1c(C)nc2c3ccccc3ncn21 ZINC000000143695 642749219 /nfs/dbraw/zinc/74/92/19/642749219.db2.gz JUBKIXBAFYMCGL-UHFFFAOYSA-N 0 0 241.250 2.116 50 0 BEAARN Cc1[nH]c2ccc(C)cc2c1CCC(N)=O ZINC000000184792 642751067 /nfs/dbraw/zinc/75/10/67/642751067.db2.gz YHOPEJQBTWDDCH-UHFFFAOYSA-N 0 0 216.284 2.203 50 0 BEAARN Cc1cc(C)nc(S[C@@H]2CCCC[C@@H]2O)n1 ZINC000000470355 642780390 /nfs/dbraw/zinc/78/03/90/642780390.db2.gz DQPQJMNHVCKZCS-WDEREUQCSA-N 0 0 238.356 2.489 50 0 BEAARN S=c1[nH]cnc2nc3n(c21)CCCCC3 ZINC000016511537 642979656 /nfs/dbraw/zinc/97/96/56/642979656.db2.gz ONFQFFURCDKQAT-UHFFFAOYSA-N 0 0 220.301 2.215 50 0 BEAARN Nc1cc(-c2nc(-c3ccsc3)no2)ccn1 ZINC000020109859 643056382 /nfs/dbraw/zinc/05/63/82/643056382.db2.gz OXJROXLFRXPOLG-UHFFFAOYSA-N 0 0 244.279 2.442 50 0 BEAARN CC(C)C1CCC(C(CO)CO)CC1 ZINC000757190750 643363508 /nfs/dbraw/zinc/36/35/08/643363508.db2.gz FZTCYQYZYAKRHL-UHFFFAOYSA-N 0 0 200.322 2.050 50 0 BEAARN CO[C@H]1CCC12CCN(C(=O)CC(C)C)CC2 ZINC000257181350 643648973 /nfs/dbraw/zinc/64/89/73/643648973.db2.gz MYFFXZAJQUNKJN-LBPRGKRZSA-N 0 0 239.359 2.450 50 0 BEAARN CC(C)c1nocc1-c1nc(-c2cc[nH]n2)no1 ZINC000952993286 643787049 /nfs/dbraw/zinc/78/70/49/643787049.db2.gz VHAUAEZADRLHDI-UHFFFAOYSA-N 0 0 245.242 2.238 50 0 BEAARN CS/C=C/C(=O)OCc1ccccn1 ZINC000083990446 644415602 /nfs/dbraw/zinc/41/56/02/644415602.db2.gz VNZXONBEVLDJAY-FNORWQNLSA-N 0 0 209.270 2.002 50 0 BEAARN CCCC[C@H]1C=CCN1C(=O)Cn1ccnc1C ZINC000952977100 644446189 /nfs/dbraw/zinc/44/61/89/644446189.db2.gz OMBPDCNDVPMQOA-ZDUSSCGKSA-N 0 0 247.342 2.149 50 0 BEAARN CCC[C@H](C(=O)Nc1ccncc1)n1cccc1 ZINC000952963690 644446596 /nfs/dbraw/zinc/44/65/96/644446596.db2.gz XOZYJEBAWJTKRX-CYBMUJFWSA-N 0 0 243.310 2.285 50 0 BEAARN Fc1cc(N2CC[C@H](c3ccccn3)C2)ncn1 ZINC000952994760 644452271 /nfs/dbraw/zinc/45/22/71/644452271.db2.gz LMULMXHWGGKDRG-JTQLQIEISA-N 0 0 244.273 2.005 50 0 BEAARN C/C=C/C=C/C(=O)Nc1cc(OC)ccn1 ZINC000095446325 644749804 /nfs/dbraw/zinc/74/98/04/644749804.db2.gz FKYSCNPMWCSIDP-VNKDHWASSA-N 0 0 218.256 2.161 50 0 BEAARN C/C=C/C=C\C(=O)Oc1c(C)nn(C)c1C ZINC000096424019 644812307 /nfs/dbraw/zinc/81/23/07/644812307.db2.gz AVSNYHLMAVSXQY-MDAAKZFYSA-N 0 0 220.272 2.075 50 0 BEAARN CCOc1cc(C(F)(F)F)cc(NC(C)=O)n1 ZINC000252496035 644859792 /nfs/dbraw/zinc/85/97/92/644859792.db2.gz PEIQHLGXJBFSQV-UHFFFAOYSA-N 0 0 248.204 2.458 50 0 BEAARN Cc1cc(C)n([C@@H]2CC(=O)CC[C@@H]2C)n1 ZINC000725361875 711664266 /nfs/dbraw/zinc/66/42/66/711664266.db2.gz PYPZCFUNCZGBGA-QPUJVOFHSA-N 0 0 206.289 2.430 50 0 BEAARN C[Si](C)(C)N1C(=O)c2ccccc2C1=O ZINC000169811102 711783837 /nfs/dbraw/zinc/78/38/37/711783837.db2.gz ZRAPHEBMDYQXKR-UHFFFAOYSA-N 0 0 219.316 2.118 50 0 BEAARN