smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)CN[C@@H](C)c1nnc2n1CCC2 ZINC000037148544 711480342 /nfs/dbraw/zinc/48/03/42/711480342.db2.gz MHYANPWCTJRESC-QWRGUYRKSA-N 0 3 236.363 2.311 10 0 BEAEHN C[C@H](O)[C@H](C)NCc1ccsc1Cl ZINC000308282187 711520248 /nfs/dbraw/zinc/52/02/48/711520248.db2.gz XJYNBDJRXSTUFI-BQBZGAKWSA-N 0 3 219.737 2.260 10 0 BEAEHN Cc1cnc(CN[C@H]2CCSC2)c(C)c1 ZINC000724047704 711557505 /nfs/dbraw/zinc/55/75/05/711557505.db2.gz JVNAXLCEOYLZNU-NSHDSACASA-N 0 3 222.357 2.294 10 0 BEAEHN CC[C@H]([NH2+][C@H](C)c1nnc(C)[n-]1)[C@H]1C[C@H]1C ZINC000321925880 712080758 /nfs/dbraw/zinc/08/07/58/712080758.db2.gz RTYYAHKQUHHGRL-HZQMYPQZSA-N 0 3 222.336 2.198 10 0 BEAEHN C(c1noc([C@@H]2CCCN2)n1)C1CCCC1 ZINC000379107353 712369631 /nfs/dbraw/zinc/36/96/31/712369631.db2.gz RXHOCSDBLBKFNM-JTQLQIEISA-N 0 3 221.304 2.227 10 0 BEAEHN c1cc2c(s1)CCO[C@@H]2CNC1CSC1 ZINC000380097024 712685887 /nfs/dbraw/zinc/68/58/87/712685887.db2.gz KOCWYXCHIAIFCU-SNVBAGLBSA-N 0 3 241.381 2.067 10 0 BEAEHN Cn1ncc(CN[C@H]2CCCCCC2(C)C)n1 ZINC000719308488 712804122 /nfs/dbraw/zinc/80/41/22/712804122.db2.gz NRLNSSOYEQANOS-LBPRGKRZSA-N 0 3 236.363 2.264 10 0 BEAEHN CC1=C[C@H](C)C[C@@H](CN[C@@H](C)c2cn(C)nn2)C1 ZINC000720603420 712857963 /nfs/dbraw/zinc/85/79/63/712857963.db2.gz QFTNRKITQYKWRX-WCFLWFBJSA-N 0 3 248.374 2.458 10 0 BEAEHN CCc1ccccc1CN[C@@H]1CCCCNC1=O ZINC000052201486 1171947333 /nfs/dbraw/zinc/94/73/33/1171947333.db2.gz WDLLBZUAZRHOIG-CQSZACIVSA-N 0 3 246.354 2.007 10 0 BEAEHN Cc1cnc(C(Cl)(Cl)Cl)nc1CN ZINC000685959547 538906878 /nfs/dbraw/zinc/90/68/78/538906878.db2.gz PHZVHEHQKQXDQL-UHFFFAOYSA-N 0 3 240.521 2.070 10 0 BEAEHN CNCC(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962475 538909077 /nfs/dbraw/zinc/90/90/77/538909077.db2.gz JQBCVQSABKSXLD-GFCCVEGCSA-N 0 3 235.327 2.018 10 0 BEAEHN CCNCC(=O)C[C@H](C)COCc1ccccc1 ZINC000685962820 538909868 /nfs/dbraw/zinc/90/98/68/538909868.db2.gz WHRXGGMPUGRWQC-ZDUSSCGKSA-N 0 3 249.354 2.408 10 0 BEAEHN CCOC[C@H](C)NCc1ccc(CC)o1 ZINC000051724985 136210007 /nfs/dbraw/zinc/21/00/07/136210007.db2.gz BGXOXNSMYROVLI-JTQLQIEISA-N 0 3 211.305 2.357 10 0 BEAEHN CCN1CCc2ccccc2[C@@H]1c1cnc[nH]1 ZINC000616587924 349462043 /nfs/dbraw/zinc/46/20/43/349462043.db2.gz NYIZBWDSPVIDGY-CQSZACIVSA-N 0 3 227.311 2.377 10 0 BEAEHN c1ccc(CN2CC[C@@H](c3ccncn3)C2)cc1 ZINC000616612203 349478604 /nfs/dbraw/zinc/47/86/04/349478604.db2.gz WUHOWCLFTOKQEZ-CQSZACIVSA-N 0 3 239.322 2.466 10 0 BEAEHN Cc1cc(CNC2CC2)nc(CC(F)(F)F)n1 ZINC000054831989 178019309 /nfs/dbraw/zinc/01/93/09/178019309.db2.gz DGQOZJHWNWLBOK-UHFFFAOYSA-N 0 3 245.248 2.142 10 0 BEAEHN Cc1cc(CN[C@@H]2CCO[C@H]2C)cs1 ZINC000285817388 178035229 /nfs/dbraw/zinc/03/52/29/178035229.db2.gz HTYKYMDNYLVUTJ-GXSJLCMTSA-N 0 3 211.330 2.324 10 0 BEAEHN Cc1cc(CN[C@H](C)CO)ccc1OC(C)C ZINC000098126319 178037069 /nfs/dbraw/zinc/03/70/69/178037069.db2.gz QZSOZKBRTJFMDY-GFCCVEGCSA-N 0 3 237.343 2.253 10 0 BEAEHN Cn1cc([C@H]2NCC23CCC(F)(F)CC3)cn1 ZINC000536960016 398199271 /nfs/dbraw/zinc/19/92/71/398199271.db2.gz NJKJHEFABOPPFA-SNVBAGLBSA-N 0 3 241.285 2.260 10 0 BEAEHN Cc1cc(F)ccc1N[C@@H]1CCN(C)C1 ZINC000061984673 178091290 /nfs/dbraw/zinc/09/12/90/178091290.db2.gz GOICFBFRLWURIG-LLVKDONJSA-N 0 3 208.280 2.250 10 0 BEAEHN Cc1cc(N(C)C)nc2cc(N)ccc12 ZINC000001871585 178096627 /nfs/dbraw/zinc/09/66/27/178096627.db2.gz LAFRRPGYWLOFST-UHFFFAOYSA-N 0 3 201.273 2.191 10 0 BEAEHN CCn1cc([C@H]2NCC23CCCCC3)cn1 ZINC000380674327 398196519 /nfs/dbraw/zinc/19/65/19/398196519.db2.gz COBTWUXGHPHDFM-GFCCVEGCSA-N 0 3 219.332 2.498 10 0 BEAEHN CCn1cc([C@H]2NCC23CCCC3)cn1 ZINC000380071449 398196538 /nfs/dbraw/zinc/19/65/38/398196538.db2.gz IXRGZTBYBLQQCC-LLVKDONJSA-N 0 3 205.305 2.108 10 0 BEAEHN Cc1cc(N)ccc1NC(=O)[C@@H](C)N(C)C(C)C ZINC000019257431 178105954 /nfs/dbraw/zinc/10/59/54/178105954.db2.gz YMZCOQKIUAXPPL-LLVKDONJSA-N 0 3 249.358 2.244 10 0 BEAEHN CCC(CC)C(=O)N[C@H](CN)c1ccccc1 ZINC000104316711 168340462 /nfs/dbraw/zinc/34/04/62/168340462.db2.gz NXTHXVBQOMTNGZ-CYBMUJFWSA-N 0 3 234.343 2.239 10 0 BEAEHN Cc1cc(NC(=O)c2cccc(CN)c2)ccn1 ZINC000082698010 178150135 /nfs/dbraw/zinc/15/01/35/178150135.db2.gz QJXMZNPSWQXPAI-UHFFFAOYSA-N 0 3 241.294 2.101 10 0 BEAEHN Cc1cc(NC[C@H](C)N2CCCCC2)nc(C)n1 ZINC000038029311 178168358 /nfs/dbraw/zinc/16/83/58/178168358.db2.gz LBLPRQAMBXNUEQ-LBPRGKRZSA-N 0 3 248.374 2.380 10 0 BEAEHN Cc1cc(N[C@H](CC(C)C)CN(C)C)ncn1 ZINC000049558090 178187275 /nfs/dbraw/zinc/18/72/75/178187275.db2.gz BUSSFNKICQRATO-GFCCVEGCSA-N 0 3 236.363 2.173 10 0 BEAEHN Cc1cc(OC[C@H]2CNCCO2)ccc1Cl ZINC000011587442 178212622 /nfs/dbraw/zinc/21/26/22/178212622.db2.gz VKDUOJBKBUAHED-LLVKDONJSA-N 0 3 241.718 2.016 10 0 BEAEHN Cc1cc([C@@H](C)NC(C)(C)C(N)=O)c(C)s1 ZINC000040674391 178222153 /nfs/dbraw/zinc/22/21/53/178222153.db2.gz JPWRDEYLAZYOGU-MRVPVSSYSA-N 0 3 240.372 2.279 10 0 BEAEHN Cc1cc([C@@H](CO)NC2CC2)c(C)s1 ZINC000049688086 178236167 /nfs/dbraw/zinc/23/61/67/178236167.db2.gz VUWALXLEMQEITQ-LLVKDONJSA-N 0 3 211.330 2.150 10 0 BEAEHN Cc1cc([C@@]2(O)CCN(C3CC3)C2)ccc1F ZINC000061988352 178244435 /nfs/dbraw/zinc/24/44/35/178244435.db2.gz JNVFCRQZQCKZCC-CQSZACIVSA-N 0 3 235.302 2.190 10 0 BEAEHN Cc1cc([C@H](N)[C@H]2CCCCO2)c(C)o1 ZINC000050963129 178262308 /nfs/dbraw/zinc/26/23/08/178262308.db2.gz DCHSYWPCUSJMDY-NEPJUHHUSA-N 0 3 209.289 2.465 10 0 BEAEHN Cc1cc2nc(CN)[nH]c2cc1Br ZINC000062152751 178277225 /nfs/dbraw/zinc/27/72/25/178277225.db2.gz ROZUZNCEWSCBBE-UHFFFAOYSA-N 0 3 240.104 2.093 10 0 BEAEHN COc1c(CNC[C@@H]2CC=CCC2)c(C)nn1C ZINC000134150327 398240678 /nfs/dbraw/zinc/24/06/78/398240678.db2.gz AYEVJOJPCFPJJU-GFCCVEGCSA-N 0 3 249.358 2.183 10 0 BEAEHN Cc1cc2c(n1CCN(C)C1CC1)CCCC2=O ZINC000062011358 178293264 /nfs/dbraw/zinc/29/32/64/178293264.db2.gz VXKWGZUJXSDYCI-UHFFFAOYSA-N 0 3 246.354 2.410 10 0 BEAEHN Cc1ccc(-c2cc(CN)nc(C)n2)cc1 ZINC000020388384 178320179 /nfs/dbraw/zinc/32/01/79/178320179.db2.gz GTQQQNDVXZZJMW-UHFFFAOYSA-N 0 3 213.284 2.219 10 0 BEAEHN CCC(CC)N(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000037504891 168367510 /nfs/dbraw/zinc/36/75/10/168367510.db2.gz BIAFAZMZTKJRQI-CQSZACIVSA-N 0 3 248.370 2.203 10 0 BEAEHN CN1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616612502 349566484 /nfs/dbraw/zinc/56/64/84/349566484.db2.gz DROBPISLOLYALC-LLVKDONJSA-N 0 3 213.284 2.049 10 0 BEAEHN Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000170863197 178395339 /nfs/dbraw/zinc/39/53/39/178395339.db2.gz GFWWBFTUURSTQJ-CYBMUJFWSA-N 0 3 246.354 2.080 10 0 BEAEHN COC(=O)c1csc(CN[C@H]2C[C@H]2C)c1 ZINC000602538832 349604759 /nfs/dbraw/zinc/60/47/59/349604759.db2.gz COSBMMKXVXBKII-XCBNKYQSSA-N 0 3 225.313 2.033 10 0 BEAEHN COC(=O)c1csc(CN[C@@H]2C[C@H]2C)c1 ZINC000602538830 349604825 /nfs/dbraw/zinc/60/48/25/349604825.db2.gz COSBMMKXVXBKII-GMSGAONNSA-N 0 3 225.313 2.033 10 0 BEAEHN C[C@H](NCC[C@@H]1CCCO1)c1ccco1 ZINC000038095478 538964783 /nfs/dbraw/zinc/96/47/83/538964783.db2.gz PVSPACSMLYIPEY-QWRGUYRKSA-N 0 3 209.289 2.499 10 0 BEAEHN N[C@H]1COc2c1cc(Cl)cc2Br ZINC000035655138 342754235 /nfs/dbraw/zinc/75/42/35/342754235.db2.gz XCQGMCQQUZKXNJ-ZETCQYMHSA-N 0 3 248.507 2.495 10 0 BEAEHN C[C@@H](N)c1cnc(N2CCC[C@H]2C)s1 ZINC000054863904 398283936 /nfs/dbraw/zinc/28/39/36/398283936.db2.gz FIQHMERAQBIHLL-HTQZYQBOSA-N 0 3 211.334 2.152 10 0 BEAEHN Fc1cc2c(cc1C1CCOCC1)CNC2 ZINC000145700707 342762847 /nfs/dbraw/zinc/76/28/47/342762847.db2.gz OUDVTUDZUSITED-UHFFFAOYSA-N 0 3 221.275 2.323 10 0 BEAEHN CCC(CC)NCc1c(C)nn(C)c1OC ZINC000135054712 168387919 /nfs/dbraw/zinc/38/79/19/168387919.db2.gz IASIXRGUVHMLPX-UHFFFAOYSA-N 0 3 225.336 2.015 10 0 BEAEHN N[C@@H](c1ccncc1)c1ccc(F)c(F)c1 ZINC000008699674 342802544 /nfs/dbraw/zinc/80/25/44/342802544.db2.gz BAVHAHNPJBRMCE-LBPRGKRZSA-N 0 3 220.222 2.408 10 0 BEAEHN CCN1CCN(C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255222 342795168 /nfs/dbraw/zinc/79/51/68/342795168.db2.gz CGDOSHBKKLEQKC-RYUDHWBXSA-N 0 3 246.345 2.448 10 0 BEAEHN COc1ccc(CNC2=NCCCS2)cc1 ZINC000008729597 342803842 /nfs/dbraw/zinc/80/38/42/342803842.db2.gz UZFATJOIOKLAFY-UHFFFAOYSA-N 0 3 236.340 2.278 10 0 BEAEHN CC(=O)Nc1ccccc1CN[C@H]1C[C@H]1C ZINC000085573331 398289411 /nfs/dbraw/zinc/28/94/11/398289411.db2.gz SVKZVZOFHPPKCU-RNCFNFMXSA-N 0 3 218.300 2.143 10 0 BEAEHN CCCN[C@H](C)c1cn(C2CCCC2)nn1 ZINC000380974631 538994266 /nfs/dbraw/zinc/99/42/66/538994266.db2.gz BENFFGDALPZOAR-SNVBAGLBSA-N 0 3 222.336 2.454 10 0 BEAEHN C[C@@H](NCc1ccccn1)[C@@H]1CCCCO1 ZINC000381448990 539000894 /nfs/dbraw/zinc/00/08/94/539000894.db2.gz GKHJAPGOTHKFSG-YPMHNXCESA-N 0 3 220.316 2.129 10 0 BEAEHN c1csc(CNC[C@H]2CC23CCOCC3)n1 ZINC000381464393 539001269 /nfs/dbraw/zinc/00/12/69/539001269.db2.gz KTDZBDDKHCEQON-SNVBAGLBSA-N 0 3 238.356 2.049 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000192547725 538995862 /nfs/dbraw/zinc/99/58/62/538995862.db2.gz CSBNUAKHAAXIRB-SCZZXKLOSA-N 0 3 248.351 2.098 10 0 BEAEHN Cc1ccsc1C(=O)C[C@@H]1CSCCN1 ZINC000226587929 342843344 /nfs/dbraw/zinc/84/33/44/342843344.db2.gz RXQLRRCYGBSEGW-SECBINFHSA-N 0 3 241.381 2.334 10 0 BEAEHN CC(C)[C@@H]1CCC[C@@](N)(c2ncc[nH]2)C1 ZINC000521401599 398305229 /nfs/dbraw/zinc/30/52/29/398305229.db2.gz LGWXCSHYQJEQSW-PWSUYJOCSA-N 0 3 207.321 2.410 10 0 BEAEHN CS[C@@H]1CCC[C@H](NCc2cncnc2)C1 ZINC000117393720 398311410 /nfs/dbraw/zinc/31/14/10/398311410.db2.gz RWYUTHGVVSMAQF-NWDGAFQWSA-N 0 3 237.372 2.240 10 0 BEAEHN C[C@H](N)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000406544759 342871353 /nfs/dbraw/zinc/87/13/53/342871353.db2.gz IHOLKOFROGOORH-QMMMGPOBSA-N 0 3 237.303 2.448 10 0 BEAEHN COc1ccc([C@H](N)c2cccs2)cn1 ZINC000309096886 342890620 /nfs/dbraw/zinc/89/06/20/342890620.db2.gz DEQLJVXFHPJIMO-NSHDSACASA-N 0 3 220.297 2.200 10 0 BEAEHN COc1c(CNCCC2(C)CC2)c(C)nn1C ZINC000355111575 398331392 /nfs/dbraw/zinc/33/13/92/398331392.db2.gz HQNDMKJDEJWIQB-UHFFFAOYSA-N 0 3 237.347 2.017 10 0 BEAEHN CC[C@@H]1CSC(NC[C@H]2CCSC2)=N1 ZINC000228589095 362006792 /nfs/dbraw/zinc/00/67/92/362006792.db2.gz NBSQGOYCBSLPHG-RKDXNWHRSA-N 0 3 230.402 2.211 10 0 BEAEHN CSc1nc2c(cc1CN)CCCC2 ZINC000043410093 343064958 /nfs/dbraw/zinc/06/49/58/343064958.db2.gz ZBMHYHXWNWTDJM-UHFFFAOYSA-N 0 3 208.330 2.141 10 0 BEAEHN N[C@@H](CO)c1cccc(OCc2ccccc2)c1 ZINC000072198969 343069232 /nfs/dbraw/zinc/06/92/32/343069232.db2.gz ZJSLKMMZWDWGKU-HNNXBMFYSA-N 0 3 243.306 2.258 10 0 BEAEHN C[C@H]1C[C@H](C)CC2(C1)NCCc1nc[nH]c12 ZINC000400462051 343078906 /nfs/dbraw/zinc/07/89/06/343078906.db2.gz OXRLYJVDSUWDSD-UWVGGRQHSA-N 0 3 219.332 2.207 10 0 BEAEHN CNc1c(N)cnc2ccc(OCC3CC3)cc21 ZINC000584882513 343085174 /nfs/dbraw/zinc/08/51/74/343085174.db2.gz JCYJXJZQLBLJFB-UHFFFAOYSA-N 0 3 243.310 2.069 10 0 BEAEHN CN1CCC([C@@H]2Cc3ccccc3C2=O)CC1 ZINC000013449589 343088628 /nfs/dbraw/zinc/08/86/28/343088628.db2.gz MYHFJXQJXDZOAD-AWEZNQCLSA-N 0 3 229.323 2.383 10 0 BEAEHN Cn1cc([C@H](N)c2ccc(Cl)cc2)cn1 ZINC000026514844 343106587 /nfs/dbraw/zinc/10/65/87/343106587.db2.gz QONFVVQUYMJQQR-LLVKDONJSA-N 0 3 221.691 2.122 10 0 BEAEHN CCC[C@H](NC(=O)[C@@H](C)NC)c1ccccc1 ZINC000049753050 343116813 /nfs/dbraw/zinc/11/68/13/343116813.db2.gz CTHGNDLKDDRCBM-YPMHNXCESA-N 0 3 234.343 2.252 10 0 BEAEHN CN[C@H](C)C(=O)NCC1(CC(C)C)CCCC1 ZINC000094876114 343154115 /nfs/dbraw/zinc/15/41/15/343154115.db2.gz HMLFIDRLCBDOGY-GFCCVEGCSA-N 0 3 240.391 2.317 10 0 BEAEHN CCN(CC)CC(=O)NC(C)(CC)CC ZINC000001851811 136273717 /nfs/dbraw/zinc/27/37/17/136273717.db2.gz SBTAYXXUCKSRKC-UHFFFAOYSA-N 0 3 214.353 2.023 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000054073537 488205759 /nfs/dbraw/zinc/20/57/59/488205759.db2.gz YNNZCHADZHXWMJ-RQJHMYQMSA-N 0 3 246.763 2.187 10 0 BEAEHN CN(C)[C@@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC000149884282 323038210 /nfs/dbraw/zinc/03/82/10/323038210.db2.gz MUXRYFSHCZLEER-GFCCVEGCSA-N 0 3 240.391 2.365 10 0 BEAEHN Cc1nn(Cc2ccsc2)c(C)c1CN ZINC000036868381 187249235 /nfs/dbraw/zinc/24/92/35/187249235.db2.gz ZEVUADSHSMIZIO-UHFFFAOYSA-N 0 3 221.329 2.068 10 0 BEAEHN CC(C)[C@H](C)N(C)c1ncccc1CN ZINC000036786384 187250044 /nfs/dbraw/zinc/25/00/44/187250044.db2.gz ZCFQPYBVZRMLEU-JTQLQIEISA-N 0 3 207.321 2.021 10 0 BEAEHN C[C@H]1CC(N)=NN1c1cccc(Cl)c1 ZINC000034090141 343264289 /nfs/dbraw/zinc/26/42/89/343264289.db2.gz CBBMDRWTCCWIAE-ZETCQYMHSA-N 0 3 209.680 2.211 10 0 BEAEHN OC[C@H](NC1CC1)c1ccc(Cl)cc1 ZINC000038124252 187254720 /nfs/dbraw/zinc/25/47/20/187254720.db2.gz ZYPKEXALBZCKQP-NSHDSACASA-N 0 3 211.692 2.125 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1cccs1 ZINC000035736825 343303028 /nfs/dbraw/zinc/30/30/28/343303028.db2.gz VWMURHUMHCYYAZ-VHSXEESVSA-N 0 3 240.372 2.299 10 0 BEAEHN COc1cccc2c1C(=O)[C@@]1(CCCCN1)CC2 ZINC000146588078 343304788 /nfs/dbraw/zinc/30/47/88/343304788.db2.gz YQISCFMBRFGVIB-OAHLLOKOSA-N 0 3 245.322 2.336 10 0 BEAEHN NCc1ccccc1OCC(F)(F)C(F)F ZINC000020352424 187253578 /nfs/dbraw/zinc/25/35/78/187253578.db2.gz XWBARHMJMKUDCS-UHFFFAOYSA-N 0 3 237.196 2.425 10 0 BEAEHN C[C@H]1OCC[C@@H]1c1ccc2c(c1)CNC2 ZINC000147808058 343380806 /nfs/dbraw/zinc/38/08/06/343380806.db2.gz BQCBSDHTCZGICW-RNCFNFMXSA-N 0 3 203.285 2.182 10 0 BEAEHN N[C@H]1c2cc(C(F)(F)F)ccc2CCC[C@@H]1O ZINC000039941544 343393883 /nfs/dbraw/zinc/39/38/83/343393883.db2.gz TXQOOWJKBQMOQK-QWRGUYRKSA-N 0 3 245.244 2.402 10 0 BEAEHN Cc1nccc(CNCCCC(C)C)n1 ZINC000054790797 136373027 /nfs/dbraw/zinc/37/30/27/136373027.db2.gz RTGAJVHQTDPQMC-UHFFFAOYSA-N 0 3 207.321 2.311 10 0 BEAEHN CCOC(=O)[C@H](C)CN(C)Cc1ccccc1 ZINC000043615099 343467463 /nfs/dbraw/zinc/46/74/63/343467463.db2.gz WXUFFHBLYVJDHQ-GFCCVEGCSA-N 0 3 235.327 2.318 10 0 BEAEHN N[C@@H](c1cn[nH]c1)c1ccc(Cl)c(F)c1 ZINC000203875191 343547349 /nfs/dbraw/zinc/54/73/49/343547349.db2.gz VTFYYBIAJQLYJM-SNVBAGLBSA-N 0 3 225.654 2.250 10 0 BEAEHN C[C@@]1([C@H]2CCCO2)NCCc2ccsc21 ZINC000712512442 537788173 /nfs/dbraw/zinc/78/81/73/537788173.db2.gz KKZAWNUUKFWGOY-PWSUYJOCSA-N 0 3 223.341 2.288 10 0 BEAEHN COC(=O)c1ccc(/C=C/CN(C)C)cc1 ZINC000168902986 343622105 /nfs/dbraw/zinc/62/21/05/343622105.db2.gz DONMYTJZNYWXOF-SNAWJCMRSA-N 0 3 219.284 2.048 10 0 BEAEHN CC1(C)C[C@]2(CO1)NCCc1ccsc12 ZINC000712562581 537792132 /nfs/dbraw/zinc/79/21/32/537792132.db2.gz JAMDLYXEPSRQAS-GFCCVEGCSA-N 0 3 223.341 2.288 10 0 BEAEHN COC(C)(C)[C@@H]1NCCc2ccsc21 ZINC000712559654 537792349 /nfs/dbraw/zinc/79/23/49/537792349.db2.gz YDULVSQWKSKOKM-SNVBAGLBSA-N 0 3 211.330 2.360 10 0 BEAEHN CC[C@@H](OC)[C@H]1NCCc2ccsc21 ZINC000712559373 537793195 /nfs/dbraw/zinc/79/31/95/537793195.db2.gz QZKJMTUIVXGEIR-NXEZZACHSA-N 0 3 211.330 2.360 10 0 BEAEHN Cc1ccc(CN)c(Oc2cccnc2)n1 ZINC000043396381 178562140 /nfs/dbraw/zinc/56/21/40/178562140.db2.gz PGESLKIPPZGPDR-UHFFFAOYSA-N 0 3 215.256 2.036 10 0 BEAEHN COC(C)(C)C[C@H]1NC[C@@H](C)CS1 ZINC000234656736 343627518 /nfs/dbraw/zinc/62/75/18/343627518.db2.gz OPHADAUENBYTOI-BDAKNGLRSA-N 0 3 203.351 2.100 10 0 BEAEHN COC(=O)C[C@@](C)(N)c1cccc(Cl)c1 ZINC000086851529 343631126 /nfs/dbraw/zinc/63/11/26/343631126.db2.gz HCLPAOARYVKXGO-LLVKDONJSA-N 0 3 227.691 2.077 10 0 BEAEHN O[C@]12CCCC[C@H]1CN(C/C=C/Cl)CC2 ZINC000088023418 343693619 /nfs/dbraw/zinc/69/36/19/343693619.db2.gz YFFFRCZWKOHWOI-UEUCCFLYSA-N 0 3 229.751 2.366 10 0 BEAEHN CC(C)[C@H](CN(C)C)N[C@@H](C)c1ccccn1 ZINC000049195685 187270051 /nfs/dbraw/zinc/27/00/51/187270051.db2.gz GHNVCADAYLPREW-JSGCOSHPSA-N 0 3 235.375 2.318 10 0 BEAEHN CC(C)Cc1ccc(C2(CN)OCCO2)cc1 ZINC000049827626 187270492 /nfs/dbraw/zinc/27/04/92/187270492.db2.gz XESGBIPUTSDTIE-UHFFFAOYSA-N 0 3 235.327 2.043 10 0 BEAEHN CC(C)(C)c1ccc([C@@H](N)[C@@H]2COCCO2)cc1 ZINC000055298813 187272456 /nfs/dbraw/zinc/27/24/56/187272456.db2.gz VBSGYLCHKPQABM-UONOGXRCSA-N 0 3 249.354 2.399 10 0 BEAEHN C1CC[C@@H](c2[nH]nc3c2CCCC3)NC1 ZINC000107242178 343785776 /nfs/dbraw/zinc/78/57/76/343785776.db2.gz WVKPIHGWEVUJAW-NSHDSACASA-N 0 3 205.305 2.103 10 0 BEAEHN CNc1cc(N2C[C@H](C)C[C@H](C)C2)nc(C)n1 ZINC000127843674 343787932 /nfs/dbraw/zinc/78/79/32/343787932.db2.gz QYBNMRYAZRJWRY-AOOOYVTPSA-N 0 3 234.347 2.309 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N[C@H](C)Cc1ccccc1 ZINC000062188858 187273327 /nfs/dbraw/zinc/27/33/27/187273327.db2.gz CGVSQTRGDNKLBZ-TZMCWYRMSA-N 0 3 248.370 2.107 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NC[C@H]1CCC=CO1 ZINC000070528347 187274954 /nfs/dbraw/zinc/27/49/54/187274954.db2.gz PQBZICJNCKEXGM-YPMHNXCESA-N 0 3 231.295 2.402 10 0 BEAEHN CCCCN(CC(=N)NO)Cc1ccccc1 ZINC000409429220 343805313 /nfs/dbraw/zinc/80/53/13/343805313.db2.gz QFCMITUCFJIYIK-UHFFFAOYSA-N 0 3 235.331 2.245 10 0 BEAEHN NCc1cc(-c2c(F)cccc2Cl)ncn1 ZINC000409436638 343839414 /nfs/dbraw/zinc/83/94/14/343839414.db2.gz OOSOBSBJYHEPSM-UHFFFAOYSA-N 0 3 237.665 2.395 10 0 BEAEHN CC[C@H](c1ccccc1)c1cc(CN)ncn1 ZINC000409436592 343839419 /nfs/dbraw/zinc/83/94/19/343839419.db2.gz LOOUDNHFXOQETM-CYBMUJFWSA-N 0 3 227.311 2.477 10 0 BEAEHN CC[C@@H](c1ccccc1)c1cc(CN)ncn1 ZINC000409436593 343839501 /nfs/dbraw/zinc/83/95/01/343839501.db2.gz LOOUDNHFXOQETM-ZDUSSCGKSA-N 0 3 227.311 2.477 10 0 BEAEHN Cc1nc(CN)cc([C@@H](C)c2ccccc2)n1 ZINC000409437114 343842399 /nfs/dbraw/zinc/84/23/99/343842399.db2.gz CCRUKYHORCYFRD-JTQLQIEISA-N 0 3 227.311 2.396 10 0 BEAEHN CN1C[C@H](CO)C[C@@H]1c1ccccc1Cl ZINC000409438922 343846068 /nfs/dbraw/zinc/84/60/68/343846068.db2.gz FACRMOQYPDSYGX-BXKDBHETSA-N 0 3 225.719 2.325 10 0 BEAEHN Cc1ccc(-c2cc(CN)nc(C)n2)cc1F ZINC000409439378 343847328 /nfs/dbraw/zinc/84/73/28/343847328.db2.gz RNGXTEMTSUAYMK-UHFFFAOYSA-N 0 3 231.274 2.358 10 0 BEAEHN CC[C@@H](NCc1ncccn1)C(C)(C)C ZINC000309206057 346991976 /nfs/dbraw/zinc/99/19/76/346991976.db2.gz SAYYAPSRRHPSOZ-SNVBAGLBSA-N 0 3 207.321 2.391 10 0 BEAEHN CNCc1cc(-c2ccncc2)nn1C(C)C ZINC000409443393 343867181 /nfs/dbraw/zinc/86/71/81/343867181.db2.gz MCWVJYHSPVNGPN-UHFFFAOYSA-N 0 3 230.315 2.245 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)NCC1CCCCC1 ZINC000040459680 187354672 /nfs/dbraw/zinc/35/46/72/187354672.db2.gz NVQMLZHRTHILJC-LLVKDONJSA-N 0 3 226.364 2.056 10 0 BEAEHN c1cn2c(n1)CC[C@H](NCc1ccsc1)C2 ZINC000309640941 343938972 /nfs/dbraw/zinc/93/89/72/343938972.db2.gz UNVWBRFMQSBFSR-NSHDSACASA-N 0 3 233.340 2.049 10 0 BEAEHN CC(C)(C)[C@@H](N)C(=O)NC1CCCCCC1 ZINC000077488151 187280605 /nfs/dbraw/zinc/28/06/05/187280605.db2.gz VGPOHXQLSVIKEH-NSHDSACASA-N 0 3 226.364 2.199 10 0 BEAEHN CCCN1CCN[C@@H](c2ccccc2)C1 ZINC000082926144 362271502 /nfs/dbraw/zinc/27/15/02/362271502.db2.gz BXEHXSDQYIJADL-CYBMUJFWSA-N 0 3 204.317 2.043 10 0 BEAEHN O[C@H]1CCCC[C@H]1N1CC=C(C(F)(F)F)CC1 ZINC000335919688 344087099 /nfs/dbraw/zinc/08/70/99/344087099.db2.gz UEVSTUYBTLCFNQ-MNOVXSKESA-N 0 3 249.276 2.484 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nnc(C2CCC2)[nH]1 ZINC000616569382 344170460 /nfs/dbraw/zinc/17/04/60/344170460.db2.gz IZHSMQHCNSEJSC-CBAPKCEASA-N 0 3 208.309 2.118 10 0 BEAEHN CC[C@H](C)[C@H](N)c1n[nH]c(C2CCC2)n1 ZINC000616569382 344170462 /nfs/dbraw/zinc/17/04/62/344170462.db2.gz IZHSMQHCNSEJSC-CBAPKCEASA-N 0 3 208.309 2.118 10 0 BEAEHN CC(C)(C)c1nc(CN)ccc1OC1CC1 ZINC000095738011 187287946 /nfs/dbraw/zinc/28/79/46/187287946.db2.gz HZUHFVFRNULETO-UHFFFAOYSA-N 0 3 220.316 2.379 10 0 BEAEHN CC[C@@H]1CCC[C@@H]1NCc1nccn1C ZINC000130524650 344222345 /nfs/dbraw/zinc/22/23/45/344222345.db2.gz WCDCWTGAHWPVAY-MNOVXSKESA-N 0 3 207.321 2.088 10 0 BEAEHN O=C1C[C@H]2C[C@@H](C1)CN(Cc1ccccc1)C2 ZINC000084310733 344190894 /nfs/dbraw/zinc/19/08/94/344190894.db2.gz WGWTUZFDBXXSMZ-OKILXGFUSA-N 0 3 229.323 2.488 10 0 BEAEHN CCC[C@@H](N)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400075530 344278564 /nfs/dbraw/zinc/27/85/64/344278564.db2.gz OCBUCINDWPHLGN-FIYWTHMPSA-N 0 3 238.375 2.056 10 0 BEAEHN c1c[nH]c([C@@H]2CCCCN2CC2CCOCC2)n1 ZINC000152034598 344476012 /nfs/dbraw/zinc/47/60/12/344476012.db2.gz NXAIPKHPTZIKLO-ZDUSSCGKSA-N 0 3 249.358 2.363 10 0 BEAEHN C[C@@](F)(CN)Cc1ccc(F)c(F)c1 ZINC000158221874 344570118 /nfs/dbraw/zinc/57/01/18/344570118.db2.gz RIFAGNNPKWAHNF-JTQLQIEISA-N 0 3 203.207 2.194 10 0 BEAEHN CN(C)c1c(CN)cccc1OC(F)(F)F ZINC000396117931 344606931 /nfs/dbraw/zinc/60/69/31/344606931.db2.gz GOFSKVYBWSROMF-UHFFFAOYSA-N 0 3 234.221 2.110 10 0 BEAEHN CC[C@]1([C@@H]2CC2(C)C)NCCc2nc[nH]c21 ZINC000400399311 537853988 /nfs/dbraw/zinc/85/39/88/537853988.db2.gz SEAWKWRPRJIUPS-ZWNOBZJWSA-N 0 3 219.332 2.207 10 0 BEAEHN CSC[C@@H](C)NC1=N[C@@H](C)CCS1 ZINC000127845481 344666806 /nfs/dbraw/zinc/66/68/06/344666806.db2.gz LVIGVVIUUHTQPU-JGVFFNPUSA-N 0 3 218.391 2.209 10 0 BEAEHN C[C@@H]1C[C@@H](Nc2nsnc2Cl)CCN1C ZINC000158598324 344687641 /nfs/dbraw/zinc/68/76/41/344687641.db2.gz CECONFHYKQHXGL-RQJHMYQMSA-N 0 3 246.767 2.086 10 0 BEAEHN CC(C)=C[C@@](C)(F)C[C@@H]1COCCN1 ZINC000166351473 344870655 /nfs/dbraw/zinc/87/06/55/344870655.db2.gz HXQIMFBUPNYITM-GHMZBOCLSA-N 0 3 201.285 2.059 10 0 BEAEHN C[C@@H](c1csc(Cl)c1)N1CC(N)C1 ZINC000235515763 344929054 /nfs/dbraw/zinc/92/90/54/344929054.db2.gz SEDHUHQWOSXBCL-LURJTMIESA-N 0 3 216.737 2.105 10 0 BEAEHN CC(C)[C@@H](N)c1cc(Br)ccn1 ZINC000238168604 344980731 /nfs/dbraw/zinc/98/07/31/344980731.db2.gz ZSDJKZPFHQXXHV-SECBINFHSA-N 0 3 229.121 2.500 10 0 BEAEHN Cc1csc([C@@]2(N)CCS[C@@H]2C)n1 ZINC000235671461 345008221 /nfs/dbraw/zinc/00/82/21/345008221.db2.gz OAQYDMYYJBOQSI-VXNVDRBHSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1cc(C)nc(Oc2ccccc2CN)n1 ZINC000011849364 345031986 /nfs/dbraw/zinc/03/19/86/345031986.db2.gz JSTBRERPSSLGJS-UHFFFAOYSA-N 0 3 229.283 2.344 10 0 BEAEHN CC1(C)C[C@@H](N)c2ccc3c(c2O1)OCCO3 ZINC000011848982 345034237 /nfs/dbraw/zinc/03/42/37/345034237.db2.gz ASVARAWDKRCXPQ-SECBINFHSA-N 0 3 235.283 2.019 10 0 BEAEHN NC1(c2ncc(Br)cc2Cl)CC1 ZINC000238570292 345080523 /nfs/dbraw/zinc/08/05/23/345080523.db2.gz GIXBLTZHWHGHDG-UHFFFAOYSA-N 0 3 247.523 2.445 10 0 BEAEHN NC[C@@H](N)c1ccccc1OCc1ccccc1 ZINC000044468992 345084955 /nfs/dbraw/zinc/08/49/55/345084955.db2.gz CADMDHLGOQJMJH-CQSZACIVSA-N 0 3 242.322 2.224 10 0 BEAEHN NCc1noc2cc(Br)ccc21 ZINC000238614367 345092846 /nfs/dbraw/zinc/09/28/46/345092846.db2.gz CMNUQAAZOWXGLK-UHFFFAOYSA-N 0 3 227.061 2.049 10 0 BEAEHN NC[C@H](F)Cc1cccc(Br)c1 ZINC000156357063 345152420 /nfs/dbraw/zinc/15/24/20/345152420.db2.gz BGZSRTRBAKXXOU-SECBINFHSA-N 0 3 232.096 2.288 10 0 BEAEHN C[C@H](O)C(C)(C)NCc1cnc(C2CC2)s1 ZINC000127136209 345158896 /nfs/dbraw/zinc/15/88/96/345158896.db2.gz VVRBXQDSJDEUEJ-QMMMGPOBSA-N 0 3 240.372 2.270 10 0 BEAEHN CCC(C)(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000159118398 345410905 /nfs/dbraw/zinc/41/09/05/345410905.db2.gz ICFHSGDYSTXLDW-NWDGAFQWSA-N 0 3 240.391 2.268 10 0 BEAEHN Cc1ccc([C@@H](NC2CCCC2)C(N)=O)cc1C ZINC000037969107 178863170 /nfs/dbraw/zinc/86/31/70/178863170.db2.gz JKUYLYYFKAAWBV-CQSZACIVSA-N 0 3 246.354 2.362 10 0 BEAEHN C[C@H]1c2ccccc2C[C@H]1N1CCOCC1 ZINC000213188649 345481936 /nfs/dbraw/zinc/48/19/36/345481936.db2.gz KPJZLIJJCUHHGC-SMDDNHRTSA-N 0 3 217.312 2.047 10 0 BEAEHN Cc1nn(C(F)F)c(C)c1CNC(C)C ZINC000040544402 187307537 /nfs/dbraw/zinc/30/75/37/187307537.db2.gz UQJRZPQWUCJTCH-UHFFFAOYSA-N 0 3 217.263 2.393 10 0 BEAEHN CC[C@H]1CN(Cc2cccc(F)c2)CC[C@H]1O ZINC000253258974 345638793 /nfs/dbraw/zinc/63/87/93/345638793.db2.gz HGBZITKGXRUALW-GXTWGEPZSA-N 0 3 237.318 2.419 10 0 BEAEHN COC(=O)c1cc(CN2CCCCC2)ccc1N ZINC000113961712 345755356 /nfs/dbraw/zinc/75/53/56/345755356.db2.gz MVESZUMOHVVVTQ-UHFFFAOYSA-N 0 3 248.326 2.041 10 0 BEAEHN CN1CCCC[C@@](CCO)(c2cccc(O)c2)C1 ZINC000114058042 345755607 /nfs/dbraw/zinc/75/56/07/345755607.db2.gz PRKJAKUJSREAEX-HNNXBMFYSA-N 0 3 249.354 2.128 10 0 BEAEHN CC(=O)[C@H](CN(C)C)c1ccc(C)cc1 ZINC000164618806 345785874 /nfs/dbraw/zinc/78/58/74/345785874.db2.gz BOORFFOYOCTLQX-ZDUSSCGKSA-N 0 3 205.301 2.229 10 0 BEAEHN CC(=O)[C@@H](CN(C)C)c1ccc(C)cc1 ZINC000164618929 345786036 /nfs/dbraw/zinc/78/60/36/345786036.db2.gz BOORFFOYOCTLQX-CYBMUJFWSA-N 0 3 205.301 2.229 10 0 BEAEHN CCOC(=O)N1CC[C@@H](N)c2ccccc21 ZINC000070601219 345789793 /nfs/dbraw/zinc/78/97/93/345789793.db2.gz UKBDZSBYVQNGRC-SNVBAGLBSA-N 0 3 220.272 2.053 10 0 BEAEHN CC(C)CNc1cc(N)nc(C2CC2)n1 ZINC000087908948 345939898 /nfs/dbraw/zinc/93/98/98/345939898.db2.gz CZPHHXXOMIKNMO-UHFFFAOYSA-N 0 3 206.293 2.004 10 0 BEAEHN CNc1cc(N2CCC[C@@H](C)C2)nc(C)n1 ZINC000087805984 345941063 /nfs/dbraw/zinc/94/10/63/345941063.db2.gz FMMITGYKQZIDNC-SECBINFHSA-N 0 3 220.320 2.063 10 0 BEAEHN Cc1nc(N)cc(NCCc2cccs2)n1 ZINC000087808264 345941921 /nfs/dbraw/zinc/94/19/21/345941921.db2.gz KHSGRALCOJYILC-UHFFFAOYSA-N 0 3 234.328 2.083 10 0 BEAEHN C[C@H](C(=O)N1CC(NC2CCC2)C1)C(C)(C)C ZINC000675054600 537947479 /nfs/dbraw/zinc/94/74/79/537947479.db2.gz IDCXIPVBKAVASB-SNVBAGLBSA-N 0 3 238.375 2.022 10 0 BEAEHN C[C@@H]1CC[C@@H](C)[C@H](n2cnc(CN)c2)C1 ZINC000669375217 537953153 /nfs/dbraw/zinc/95/31/53/537953153.db2.gz VOABZTQMTFYKNN-CKYFFXLPSA-N 0 3 207.321 2.339 10 0 BEAEHN CC(C)(N)C(=O)Cc1cccc(Cl)c1 ZINC000136388252 346207022 /nfs/dbraw/zinc/20/70/22/346207022.db2.gz MFCPHRFQCMRVMN-UHFFFAOYSA-N 0 3 211.692 2.189 10 0 BEAEHN N[C@H](CC1OCCO1)c1ccc(Cl)cc1F ZINC000236317179 346225004 /nfs/dbraw/zinc/22/50/04/346225004.db2.gz CBZUIZJOHKEKFK-SNVBAGLBSA-N 0 3 245.681 2.242 10 0 BEAEHN Cc1ncc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000628260639 346260454 /nfs/dbraw/zinc/26/04/54/346260454.db2.gz PBUPNIORXAXGFD-PEGIJTEDSA-N 0 3 238.331 2.276 10 0 BEAEHN C[C@H]1NCCO[C@@H]1c1ccccc1Cl ZINC000082964535 187318498 /nfs/dbraw/zinc/31/84/98/187318498.db2.gz DHZHDGAPDQINBW-KCJUWKMLSA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1c2ccccc2N(C2CCN(C)CC2)C1=O ZINC000167635034 346293683 /nfs/dbraw/zinc/29/36/83/346293683.db2.gz GJTDDMXNSDGENN-LLVKDONJSA-N 0 3 244.338 2.231 10 0 BEAEHN CC(=O)N1CCN([C@@H]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000336467256 187368420 /nfs/dbraw/zinc/36/84/20/187368420.db2.gz VREXJRVXOAHYHS-DGCLKSJQSA-N 0 3 238.375 2.118 10 0 BEAEHN C[C@@](F)(CN)Cc1cccc(F)c1F ZINC000158254956 346392192 /nfs/dbraw/zinc/39/21/92/346392192.db2.gz RVTWKBVTFOBHDJ-JTQLQIEISA-N 0 3 203.207 2.194 10 0 BEAEHN NC1(c2cc(Cl)cnc2F)CCC1 ZINC000725241224 537977172 /nfs/dbraw/zinc/97/71/72/537977172.db2.gz DQZURMIJTQYPFH-UHFFFAOYSA-N 0 3 200.644 2.212 10 0 BEAEHN Cc1cccc(CNC[C@H]2CCCCO2)n1 ZINC000051575927 179094638 /nfs/dbraw/zinc/09/46/38/179094638.db2.gz VNPICCGISYKSMZ-CYBMUJFWSA-N 0 3 220.316 2.049 10 0 BEAEHN Cc1nc[nH]c1CNCc1cccc(C)c1 ZINC000054794177 179095502 /nfs/dbraw/zinc/09/55/02/179095502.db2.gz CREMPFOSHQBGDS-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN Cc1cccc(CN[C@@H]2CCO[C@@H]2C)c1F ZINC000294995229 179097246 /nfs/dbraw/zinc/09/72/46/179097246.db2.gz HHOPLOZDPDVGMC-ZYHUDNBSSA-N 0 3 223.291 2.401 10 0 BEAEHN C[C@@](F)(CN)Cc1ccc(Br)cn1 ZINC000161977186 346504715 /nfs/dbraw/zinc/50/47/15/346504715.db2.gz FISABJNHUVBCDH-VIFPVBQESA-N 0 3 247.111 2.074 10 0 BEAEHN Cc1cccc(C[C@H](N)c2cncnc2)c1 ZINC000052887397 179106155 /nfs/dbraw/zinc/10/61/55/179106155.db2.gz DUNMSTKOMOUJJI-ZDUSSCGKSA-N 0 3 213.284 2.028 10 0 BEAEHN CCSCC[C@@H](CO)NCc1ccccc1 ZINC000164062137 346588138 /nfs/dbraw/zinc/58/81/38/346588138.db2.gz LOUBJRVRDMMRBR-ZDUSSCGKSA-N 0 3 239.384 2.280 10 0 BEAEHN Cc1cccc(NC(=O)CN[C@H](C)C2CC2)c1 ZINC000035142253 179128809 /nfs/dbraw/zinc/12/88/09/179128809.db2.gz KPDZPTMMFXJMAA-LLVKDONJSA-N 0 3 232.327 2.322 10 0 BEAEHN C[C@@H](NCc1n[nH]c2ccccc21)[C@@H]1CCCO1 ZINC000589641343 346722242 /nfs/dbraw/zinc/72/22/42/346722242.db2.gz NKSYFBKULBVPBK-YGRLFVJLSA-N 0 3 245.326 2.220 10 0 BEAEHN C[C@@H](NCc1[nH]nc2ccccc21)[C@@H]1CCCO1 ZINC000589641343 346722244 /nfs/dbraw/zinc/72/22/44/346722244.db2.gz NKSYFBKULBVPBK-YGRLFVJLSA-N 0 3 245.326 2.220 10 0 BEAEHN CNCc1ccccc1NC(=O)C1CC(C)C1 ZINC000582057191 347152552 /nfs/dbraw/zinc/15/25/52/347152552.db2.gz RLWZKYSSBGVEIR-UHFFFAOYSA-N 0 3 232.327 2.391 10 0 BEAEHN Cc1cccc2c(NC[C@@H](C)O)ccnc12 ZINC000120435593 179212293 /nfs/dbraw/zinc/21/22/93/179212293.db2.gz ZZLVRMMUDNLRJH-SNVBAGLBSA-N 0 3 216.284 2.336 10 0 BEAEHN Cc1ccccc1CN(C)c1ccnc(CN)c1 ZINC000051397897 179271710 /nfs/dbraw/zinc/27/17/10/179271710.db2.gz AOYKEGYOTUYAGN-UHFFFAOYSA-N 0 3 241.338 2.485 10 0 BEAEHN Cc1ccccc1NC(=O)[C@](C)(N)C1CC1 ZINC000037478838 179303567 /nfs/dbraw/zinc/30/35/67/179303567.db2.gz CUZBYFUMAAXMDV-CYBMUJFWSA-N 0 3 218.300 2.061 10 0 BEAEHN Cc1ccccc1[C@@H]1CNCC(C)(C)O1 ZINC000011803097 179329397 /nfs/dbraw/zinc/32/93/97/179329397.db2.gz FGCRXQZEHMFYFN-LBPRGKRZSA-N 0 3 205.301 2.435 10 0 BEAEHN Cc1ccccc1[C@@](C)(N)c1cncnc1 ZINC000052887664 179332752 /nfs/dbraw/zinc/33/27/52/179332752.db2.gz OCYXRIKHCBNCKN-ZDUSSCGKSA-N 0 3 213.284 2.007 10 0 BEAEHN Cc1ccccc1[C@H](N)COC[C@H]1CCCO1 ZINC000019394068 179343372 /nfs/dbraw/zinc/34/33/72/179343372.db2.gz VOBDFOVCKJPFBK-TZMCWYRMSA-N 0 3 235.327 2.190 10 0 BEAEHN CC[C@H](C)NC[C@@H](O)C(Cl)(Cl)Cl ZINC000669381948 537999293 /nfs/dbraw/zinc/99/92/93/537999293.db2.gz BMEHLAYRRXAJGD-NTSWFWBYSA-N 0 3 234.554 2.106 10 0 BEAEHN Cc1cccnc1CN1CCC[C@H]1CCCO ZINC000093170905 179374863 /nfs/dbraw/zinc/37/48/63/179374863.db2.gz BVQPLVPKKHHUIO-ZDUSSCGKSA-N 0 3 234.343 2.127 10 0 BEAEHN CCCN(C)c1nc(CN)ccc1Cl ZINC000669381953 538000525 /nfs/dbraw/zinc/00/05/25/538000525.db2.gz BOZQZDALZOOXRQ-UHFFFAOYSA-N 0 3 213.712 2.040 10 0 BEAEHN Cc1cccnc1CN[C@H](C)[C@H]1CCCO1 ZINC000161797525 179384731 /nfs/dbraw/zinc/38/47/31/179384731.db2.gz RLPILNWNZXBFEB-DGCLKSJQSA-N 0 3 220.316 2.047 10 0 BEAEHN CCCCNC[C@@H](O)C(Cl)(Cl)Cl ZINC000669382948 538006291 /nfs/dbraw/zinc/00/62/91/538006291.db2.gz PMUICSZCFDTNHY-ZCFIWIBFSA-N 0 3 234.554 2.107 10 0 BEAEHN Cc1cnc(CN2C[C@@H]3CCCCN3C[C@H]2C)o1 ZINC000300404649 179598396 /nfs/dbraw/zinc/59/83/96/179598396.db2.gz UJBZIRGSKUVYBT-YPMHNXCESA-N 0 3 249.358 2.042 10 0 BEAEHN CC(C)CN1C[C@@]2(C[C@@H]2N)c2ccccc21 ZINC000725246920 538008584 /nfs/dbraw/zinc/00/85/84/538008584.db2.gz BAQKMAWXSPRXCI-KBPBESRZSA-N 0 3 216.328 2.131 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000054071898 490191154 /nfs/dbraw/zinc/19/11/54/490191154.db2.gz DSNUPUCOXBPSLF-SNVBAGLBSA-N 0 3 220.316 2.356 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)[C@@]1(C[C@H]1N)CN2 ZINC000725246990 538012305 /nfs/dbraw/zinc/01/23/05/538012305.db2.gz CPGFOMCYNGSSPO-TZMCWYRMSA-N 0 3 216.328 2.378 10 0 BEAEHN Cc1cc2c(c(Cl)c1)NC[C@]21C[C@H]1N ZINC000725247657 538014489 /nfs/dbraw/zinc/01/44/89/538014489.db2.gz UBMJZBUCFKWSTC-MWLCHTKSSA-N 0 3 208.692 2.043 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000054072952 348888246 /nfs/dbraw/zinc/88/82/46/348888246.db2.gz DEDQGUMUNCQPRM-WOPDTQHZSA-N 0 3 240.391 2.315 10 0 BEAEHN C[C@H]1CC[C@H](O)CN1Cc1cccc(F)c1 ZINC000399300859 323203003 /nfs/dbraw/zinc/20/30/03/323203003.db2.gz XFNYFWNKFMWGNQ-GWCFXTLKSA-N 0 3 223.291 2.171 10 0 BEAEHN CC[C@@H](C)c1nnc([C@@H](N)[C@@H](C)CC)[nH]1 ZINC000616573301 349069643 /nfs/dbraw/zinc/06/96/43/349069643.db2.gz ZWRAZIVBBAEYLO-YIZRAAEISA-N 0 3 210.325 2.364 10 0 BEAEHN CC[C@@H](C)c1nc([C@@H](N)[C@@H](C)CC)n[nH]1 ZINC000616573301 349069645 /nfs/dbraw/zinc/06/96/45/349069645.db2.gz ZWRAZIVBBAEYLO-YIZRAAEISA-N 0 3 210.325 2.364 10 0 BEAEHN Cc1cc(C(F)F)nc([C@H]2CCCN2)n1 ZINC000616577089 349105273 /nfs/dbraw/zinc/10/52/73/349105273.db2.gz IHWHPYQNCDJIRQ-SSDOTTSWSA-N 0 3 213.231 2.147 10 0 BEAEHN CCOc1cccc(OC(F)(F)F)c1CN ZINC000616580587 349258081 /nfs/dbraw/zinc/25/80/81/349258081.db2.gz ZITAXNFVHAKXKN-UHFFFAOYSA-N 0 3 235.205 2.443 10 0 BEAEHN Cc1ccc([C@@H](N)c2cccs2)cn1 ZINC000062949791 349270074 /nfs/dbraw/zinc/27/00/74/349270074.db2.gz RBRKHLJEBCCDGF-LLVKDONJSA-N 0 3 204.298 2.500 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]CCCC2CC2)n1 ZINC000124953514 349394952 /nfs/dbraw/zinc/39/49/52/349394952.db2.gz BYOTUUCVVBQHEG-UHFFFAOYSA-N 0 3 220.316 2.375 10 0 BEAEHN NCc1nsc2cc(F)cc(F)c21 ZINC000725254048 538042900 /nfs/dbraw/zinc/04/29/00/538042900.db2.gz CQZFFXLVXRAGNR-UHFFFAOYSA-N 0 3 200.213 2.033 10 0 BEAEHN CC1(C)CCN2CCNCc3cccc1c32 ZINC000216788534 350015580 /nfs/dbraw/zinc/01/55/80/350015580.db2.gz SZJDWGJWDXVDAG-UHFFFAOYSA-N 0 3 216.328 2.278 10 0 BEAEHN CC(=O)C[C@@H](C)N1C[C@@H](C)S[C@@H](C)C1 ZINC000218144557 350084396 /nfs/dbraw/zinc/08/43/96/350084396.db2.gz AUNOGDBODLOHTB-IEBDPFPHSA-N 0 3 215.362 2.180 10 0 BEAEHN Cc1nc(N2CCCC[C@@H]2C)sc1CN ZINC000054995272 180001945 /nfs/dbraw/zinc/00/19/45/180001945.db2.gz ZNHURCGSQFSSCE-QMMMGPOBSA-N 0 3 225.361 2.289 10 0 BEAEHN Cc1nc(NC(=O)[C@H](N)C(C)(C)C)sc1C ZINC000077499042 180011963 /nfs/dbraw/zinc/01/19/63/180011963.db2.gz FPMOSACXZHRYPS-QMMMGPOBSA-N 0 3 241.360 2.072 10 0 BEAEHN Cc1nc([C@@]2(N)CCSC2)sc1C ZINC000041059986 180047369 /nfs/dbraw/zinc/04/73/69/180047369.db2.gz TYBSCZJHEHPFIF-SECBINFHSA-N 0 3 214.359 2.051 10 0 BEAEHN Cc1cccc(CNCC[C@H](C)[S@](C)=O)c1 ZINC000132568253 191033776 /nfs/dbraw/zinc/03/37/76/191033776.db2.gz BMKDOULFJJPOEN-BLLLJJGKSA-N 0 3 239.384 2.242 10 0 BEAEHN Cc1nc2cc(N[C@@H]3CCCN(C)C3)ccc2[nH]1 ZINC000075184395 180095864 /nfs/dbraw/zinc/09/58/64/180095864.db2.gz STLXGWQEALCTGQ-GFCCVEGCSA-N 0 3 244.342 2.377 10 0 BEAEHN C[C@@H](NCC1(CCO)CC1)c1ccco1 ZINC000133128268 191037610 /nfs/dbraw/zinc/03/76/10/191037610.db2.gz UNHNMMDYUQTPKP-SNVBAGLBSA-N 0 3 209.289 2.093 10 0 BEAEHN C[C@H](NCC1(CCO)CC1)c1ccco1 ZINC000133128098 191038384 /nfs/dbraw/zinc/03/83/84/191038384.db2.gz UNHNMMDYUQTPKP-JTQLQIEISA-N 0 3 209.289 2.093 10 0 BEAEHN Cc1ncc(CNC2=NC[C@@H](C)S2)s1 ZINC000049534276 180150456 /nfs/dbraw/zinc/15/04/56/180150456.db2.gz AIWJTYHLSHCLPQ-ZCFIWIBFSA-N 0 3 227.358 2.032 10 0 BEAEHN Cc1nccc(CN[C@@H](C)C2CCCC2)n1 ZINC000054080880 180191831 /nfs/dbraw/zinc/19/18/31/180191831.db2.gz KALXMGNYLQFWFM-JTQLQIEISA-N 0 3 219.332 2.453 10 0 BEAEHN Cc1nccc(CNC[C@@H]2CCC(F)(F)C2)n1 ZINC000302364046 180189635 /nfs/dbraw/zinc/18/96/35/180189635.db2.gz GXOQJIOBNONZQZ-SNVBAGLBSA-N 0 3 241.285 2.310 10 0 BEAEHN Cc1ncsc1[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000134126675 180327210 /nfs/dbraw/zinc/32/72/10/180327210.db2.gz ZEMRJARRMDLFHT-NRPADANISA-N 0 3 228.361 2.119 10 0 BEAEHN C[C@@H](NCc1nnc(C2CC2)n1C)C(C)(C)C ZINC000172263291 490490279 /nfs/dbraw/zinc/49/02/79/490490279.db2.gz KTEDJSYHXJPBID-SECBINFHSA-N 0 3 236.363 2.217 10 0 BEAEHN Cc1nn(C)c(C)c1[C@H](N)c1ccc(F)cc1 ZINC000075871758 180348669 /nfs/dbraw/zinc/34/86/69/180348669.db2.gz AVTCKHKCLXJKBQ-CYBMUJFWSA-N 0 3 233.290 2.224 10 0 BEAEHN Cc1nn(C)c(N(CC(C)C)C(C)C)c1CN ZINC000042588883 180354006 /nfs/dbraw/zinc/35/40/06/180354006.db2.gz GPXDMOMFQARINL-UHFFFAOYSA-N 0 3 238.379 2.058 10 0 BEAEHN CC(C)[C@@H]1CCCCN1Cc1cncnc1 ZINC000126987465 490531491 /nfs/dbraw/zinc/53/14/91/490531491.db2.gz PSXAZVALELCYQX-ZDUSSCGKSA-N 0 3 219.332 2.487 10 0 BEAEHN C[C@@H](c1ccccc1)c1cc(CN)ncn1 ZINC000409436499 350479492 /nfs/dbraw/zinc/47/94/92/350479492.db2.gz CKRBQTDADMJIQW-JTQLQIEISA-N 0 3 213.284 2.087 10 0 BEAEHN C[C@@H](Oc1ccccc1)c1cc(CN)ncn1 ZINC000409436510 350479787 /nfs/dbraw/zinc/47/97/87/350479787.db2.gz CURSELSIULOERU-SNVBAGLBSA-N 0 3 229.283 2.075 10 0 BEAEHN Cc1nn([C@@H](CN)c2ccccc2F)c(C)c1C ZINC000043046348 180391926 /nfs/dbraw/zinc/39/19/26/180391926.db2.gz SENHEZUPTSWBJP-AWEZNQCLSA-N 0 3 247.317 2.496 10 0 BEAEHN Cc1nn([C@@H]2CCN(C(C)C)C2)c(N)c1Cl ZINC000045658302 180392235 /nfs/dbraw/zinc/39/22/35/180392235.db2.gz DRSHLQBATSGWMW-SECBINFHSA-N 0 3 242.754 2.082 10 0 BEAEHN Cc1nn(Cc2occc2CN)c(C)c1Cl ZINC000052573877 180392326 /nfs/dbraw/zinc/39/23/26/180392326.db2.gz PAGDFBSNATYYRN-UHFFFAOYSA-N 0 3 239.706 2.253 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2cncnc2)CC1 ZINC000616596235 350631026 /nfs/dbraw/zinc/63/10/26/350631026.db2.gz SWASMSZYYDFEKD-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CCN1CCOCC[C@@H]1c1ccccc1CCO ZINC000616598259 350659196 /nfs/dbraw/zinc/65/91/96/350659196.db2.gz JDCHZHOYRBXXKL-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CCCN1C[C@H]2CCCCN2C[C@H]1CC ZINC000252693094 538098775 /nfs/dbraw/zinc/09/87/75/538098775.db2.gz GTNHXGFCZYSWGZ-CHWSQXEVSA-N 0 3 210.365 2.345 10 0 BEAEHN CN1CCOC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616599457 350749403 /nfs/dbraw/zinc/74/94/03/350749403.db2.gz YNSSSBJZROPJJB-AWEZNQCLSA-N 0 3 242.322 2.280 10 0 BEAEHN CCN1CCN[C@@H](c2ccnc3ccccc32)C1 ZINC000616602097 350790992 /nfs/dbraw/zinc/79/09/92/350790992.db2.gz WVUPSSZIDSMOLH-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN OCCN1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616603946 350795615 /nfs/dbraw/zinc/79/56/15/350795615.db2.gz KTNCLPCXQLBJBP-ZDUSSCGKSA-N 0 3 237.318 2.388 10 0 BEAEHN N=C(NC1CC1)c1ccc(Cl)s1 ZINC000306678116 350833705 /nfs/dbraw/zinc/83/37/05/350833705.db2.gz HLTNWOKCFONJRJ-UHFFFAOYSA-N 0 3 200.694 2.479 10 0 BEAEHN CN(C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000306700523 350848983 /nfs/dbraw/zinc/84/89/83/350848983.db2.gz FOMPSHSWRMNRHU-JTQLQIEISA-N 0 3 211.692 2.205 10 0 BEAEHN NCc1cnn(Cc2csc(Cl)c2)c1 ZINC000306728012 350898803 /nfs/dbraw/zinc/89/88/03/350898803.db2.gz NEADPJILYQBCMI-UHFFFAOYSA-N 0 3 227.720 2.105 10 0 BEAEHN CCON[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000306727927 350898859 /nfs/dbraw/zinc/89/88/59/350898859.db2.gz MZEFPICFRQAWPS-GXTWGEPZSA-N 0 3 234.343 2.191 10 0 BEAEHN CC(C)N1CCC[C@H](c2cncnc2)C1 ZINC000616618436 350910059 /nfs/dbraw/zinc/91/00/59/350910059.db2.gz VBYFVYZDOHQZGO-NSHDSACASA-N 0 3 205.305 2.064 10 0 BEAEHN CN1CCC(c2cnnc3ccccc32)CC1 ZINC000616618967 350925723 /nfs/dbraw/zinc/92/57/23/350925723.db2.gz AVGGLTAGFUYKTH-UHFFFAOYSA-N 0 3 227.311 2.439 10 0 BEAEHN CN(Cc1ccc(CN)o1)Cc1ccccc1 ZINC000052417454 350991897 /nfs/dbraw/zinc/99/18/97/350991897.db2.gz CSPSMFZXBLCINB-UHFFFAOYSA-N 0 3 230.311 2.370 10 0 BEAEHN CC(C)(C)N1CCC[C@@H](c2conn2)C1 ZINC000616621312 351027407 /nfs/dbraw/zinc/02/74/07/351027407.db2.gz QTHMZKHLFPHCGD-SECBINFHSA-N 0 3 209.293 2.048 10 0 BEAEHN CC(C)(C)N1CCN[C@@H](c2cccc(N)c2)C1 ZINC000616631801 351108562 /nfs/dbraw/zinc/10/85/62/351108562.db2.gz DCDXQAQGPMOBQF-CYBMUJFWSA-N 0 3 233.359 2.014 10 0 BEAEHN COc1cccc([C@H]2CN(C(C)(C)C)CCN2)c1 ZINC000616631861 351109031 /nfs/dbraw/zinc/10/90/31/351109031.db2.gz HJRJGWDNFUBBOW-CQSZACIVSA-N 0 3 248.370 2.440 10 0 BEAEHN CCCN(CC(=O)NC(C)(C)CC)CC1CC1 ZINC000052891246 351076657 /nfs/dbraw/zinc/07/66/57/351076657.db2.gz HEHBHNRBXYVHNZ-UHFFFAOYSA-N 0 3 240.391 2.413 10 0 BEAEHN CCN1CCCOC[C@H]1c1ccccc1OC ZINC000616649976 351172401 /nfs/dbraw/zinc/17/24/01/351172401.db2.gz SDHADLPPWZQVRO-ZDUSSCGKSA-N 0 3 235.327 2.479 10 0 BEAEHN CCN1CCCO[C@H](c2ccc(N)cc2)C1 ZINC000616648816 351177154 /nfs/dbraw/zinc/17/71/54/351177154.db2.gz CZFYKLPFTALVES-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)N1CCCO[C@H](c2cccc(CO)c2)C1 ZINC000616649365 351177681 /nfs/dbraw/zinc/17/76/81/351177681.db2.gz GBHZZVQJKWFJBZ-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CN1CCCOC[C@H]1c1ccc2nnccc2c1 ZINC000616649598 351178486 /nfs/dbraw/zinc/17/84/86/351178486.db2.gz MVOKXYSKVZSWRS-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN COc1ccc([C@H]2CN(C)CCCO2)cc1 ZINC000616652540 351185353 /nfs/dbraw/zinc/18/53/53/351185353.db2.gz PUKCJMWNFGLLCK-CYBMUJFWSA-N 0 3 221.300 2.088 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc2ccccc2n1 ZINC000616636903 351130757 /nfs/dbraw/zinc/13/07/57/351130757.db2.gz GJFPXUXAJCDSOQ-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN c1cc(CNC2=NCCCS2)cs1 ZINC000063154058 351263771 /nfs/dbraw/zinc/26/37/71/351263771.db2.gz JFMGTBUELFDNKH-UHFFFAOYSA-N 0 3 212.343 2.331 10 0 BEAEHN c1cnc2c(c1)cccc2[C@H]1CCOCCN1 ZINC000616658551 351204496 /nfs/dbraw/zinc/20/44/96/351204496.db2.gz IPTJPAFOZBWATL-CYBMUJFWSA-N 0 3 228.295 2.286 10 0 BEAEHN c1ccc2c(c1)cncc2[C@H]1CCOCCN1 ZINC000616658776 351205036 /nfs/dbraw/zinc/20/50/36/351205036.db2.gz KPQBXYJJWRPOCI-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN CCN1CCOC[C@@H](c2ccc(NC)cc2)C1 ZINC000616659504 351207026 /nfs/dbraw/zinc/20/70/26/351207026.db2.gz BGBBPMRRYJWNRN-ZDUSSCGKSA-N 0 3 234.343 2.164 10 0 BEAEHN CN1CCOCC[C@H]1c1cccc2ccnnc21 ZINC000616659375 351207369 /nfs/dbraw/zinc/20/73/69/351207369.db2.gz RGHOLDSVFXBPCP-ZDUSSCGKSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCOC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616661348 351209715 /nfs/dbraw/zinc/20/97/15/351209715.db2.gz QWGOIRYGSWACMS-AWEZNQCLSA-N 0 3 242.322 2.280 10 0 BEAEHN CCN1CCOC[C@@H](c2ccccc2OC)C1 ZINC000616662188 351217460 /nfs/dbraw/zinc/21/74/60/351217460.db2.gz XQTWEJZQYUDAFC-LBPRGKRZSA-N 0 3 235.327 2.131 10 0 BEAEHN CN1CCOC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616662183 351217567 /nfs/dbraw/zinc/21/75/67/351217567.db2.gz XITNWTXDHGFBLA-AWEZNQCLSA-N 0 3 242.322 2.280 10 0 BEAEHN Cc1ccc([C@@](C)(F)CN)c(F)c1F ZINC000231740304 351278866 /nfs/dbraw/zinc/27/88/66/351278866.db2.gz MAFFWFFWEHJPQU-JTQLQIEISA-N 0 3 203.207 2.417 10 0 BEAEHN N[C@H](c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000034939670 351355601 /nfs/dbraw/zinc/35/56/01/351355601.db2.gz LHFSWWSCRXMSHM-ZIAGYGMSSA-N 0 3 217.312 2.354 10 0 BEAEHN N[C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000034939667 351355820 /nfs/dbraw/zinc/35/58/20/351355820.db2.gz LHFSWWSCRXMSHM-KBPBESRZSA-N 0 3 217.312 2.354 10 0 BEAEHN NCc1cc(OC(F)F)c(F)cc1F ZINC000307038559 351436420 /nfs/dbraw/zinc/43/64/20/351436420.db2.gz HZLBNMWBOZPEFE-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN C[C@@H]1CCSC(NCc2cscn2)=N1 ZINC000133653202 351441499 /nfs/dbraw/zinc/44/14/99/351441499.db2.gz BXGPMNPRTNDAIU-SSDOTTSWSA-N 0 3 227.358 2.114 10 0 BEAEHN C[C@H](NCC1CC(O)C1)c1cccc(F)c1F ZINC000235506615 351462620 /nfs/dbraw/zinc/46/26/20/351462620.db2.gz BDUGLPGHSMQVIC-IDKOKCKLSA-N 0 3 241.281 2.386 10 0 BEAEHN C[C@@H]1CCSC2(C[C@@H](C)O[C@H](C)C2)N1 ZINC000133635863 351425493 /nfs/dbraw/zinc/42/54/93/351425493.db2.gz WFCSHSXCBCJPII-OPRDCNLKSA-N 0 3 215.362 2.385 10 0 BEAEHN NCc1cc(Sc2cccs2)ncn1 ZINC000307082405 351470978 /nfs/dbraw/zinc/47/09/78/351470978.db2.gz AUNCGNTXIALUKO-UHFFFAOYSA-N 0 3 223.326 2.148 10 0 BEAEHN C[C@@]1([C@H]2NCCCS2)CCCS1 ZINC000307167327 351536893 /nfs/dbraw/zinc/53/68/93/351536893.db2.gz RGHHWPOIJVGIBE-IUCAKERBSA-N 0 3 203.376 2.325 10 0 BEAEHN N[C@@H](c1cnsc1)C1CC(F)(F)C1 ZINC000404625674 351628702 /nfs/dbraw/zinc/62/87/02/351628702.db2.gz RAOQKHPCBSFVOL-SSDOTTSWSA-N 0 3 204.245 2.188 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@H](CC)c1ccccc1 ZINC000637904266 351774011 /nfs/dbraw/zinc/77/40/11/351774011.db2.gz IAIDEWCZVWDXDV-WCQYABFASA-N 0 3 234.343 2.252 10 0 BEAEHN Cc1csc(C(N)(C2CC2)C2CC2)n1 ZINC000307269122 351814142 /nfs/dbraw/zinc/81/41/42/351814142.db2.gz MKUAWLRZOOLWDN-UHFFFAOYSA-N 0 3 208.330 2.426 10 0 BEAEHN CC1(C)CS[C@H]([C@@H]2CCSC2)N1 ZINC000224676196 363117337 /nfs/dbraw/zinc/11/73/37/363117337.db2.gz XUVDSWDTMMMHHZ-HTQZYQBOSA-N 0 3 203.376 2.181 10 0 BEAEHN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)C1CC1 ZINC000037140745 358469010 /nfs/dbraw/zinc/46/90/10/358469010.db2.gz NTNKWPWOJOATRH-MNOVXSKESA-N 0 3 248.374 2.454 10 0 BEAEHN CC[C@@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000037140709 358468681 /nfs/dbraw/zinc/46/86/81/358468681.db2.gz RICICBYIETXHDI-GHMZBOCLSA-N 0 3 236.363 2.454 10 0 BEAEHN NCc1ccn(Cc2sccc2Cl)n1 ZINC000307350825 352248605 /nfs/dbraw/zinc/24/86/05/352248605.db2.gz UBJRFNUAQDKLBN-UHFFFAOYSA-N 0 3 227.720 2.105 10 0 BEAEHN C[C@H]1CNCCN1c1ccsc1Cl ZINC000307365174 352449992 /nfs/dbraw/zinc/44/99/92/352449992.db2.gz LSXBVDKIWAGKIS-ZETCQYMHSA-N 0 3 216.737 2.200 10 0 BEAEHN COC(=O)CCN[C@@H](C)c1cccc(C)c1 ZINC000037252152 358471595 /nfs/dbraw/zinc/47/15/95/358471595.db2.gz JVJCCZJUPPVJTQ-NSHDSACASA-N 0 3 221.300 2.209 10 0 BEAEHN CCn1ccc(-c2ccc(CN)s2)n1 ZINC000300878490 352577563 /nfs/dbraw/zinc/57/75/63/352577563.db2.gz MHYFYYCEHJCPSZ-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN CC[C@]1(C)CN[C@@H]1c1cnc(OC)s1 ZINC000307574761 352658552 /nfs/dbraw/zinc/65/85/52/352658552.db2.gz HPWARQGLGDEJMH-PSASIEDQSA-N 0 3 212.318 2.212 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000638807420 352984054 /nfs/dbraw/zinc/98/40/54/352984054.db2.gz LXWFBYSPDQJADB-VXGBXAGGSA-N 0 3 238.375 2.056 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCCC(C)(C)CC ZINC000638865386 353039334 /nfs/dbraw/zinc/03/93/34/353039334.db2.gz GBGINQFVPGLBLS-GHMZBOCLSA-N 0 3 228.380 2.302 10 0 BEAEHN CC(C)N(C)c1ccc(CN[C@@H]2C[C@@H]2C)cn1 ZINC000190952205 188003490 /nfs/dbraw/zinc/00/34/90/188003490.db2.gz WUHSXTHIJSBBNV-WCQYABFASA-N 0 3 233.359 2.424 10 0 BEAEHN CC(C)CO[C@@H]1Cc2ccccc2[C@@H]1N ZINC000019268632 188002403 /nfs/dbraw/zinc/00/24/03/188002403.db2.gz ZRMVKXRSZHWSTQ-OLZOCXBDSA-N 0 3 205.301 2.284 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284215349 188032981 /nfs/dbraw/zinc/03/29/81/188032981.db2.gz CLOVHIIRWIGOPW-GXSJLCMTSA-N 0 3 219.332 2.272 10 0 BEAEHN CC1(C)CC[C@@H]1N[C@H](CO)CC(F)(F)F ZINC000336760306 353171871 /nfs/dbraw/zinc/17/18/71/353171871.db2.gz MDXVVHRFKIWJHY-YUMQZZPRSA-N 0 3 225.254 2.078 10 0 BEAEHN CC(C)c1csc(NC(=O)[C@@H](N)C(C)C)n1 ZINC000049237173 353161689 /nfs/dbraw/zinc/16/16/89/353161689.db2.gz JHHICUNNIRRRIP-VIFPVBQESA-N 0 3 241.360 2.188 10 0 BEAEHN C[C@@H](CC1CCC1)NC(=O)[C@@]1(C)CCCCN1 ZINC000638995746 353238333 /nfs/dbraw/zinc/23/83/33/353238333.db2.gz FRWBOBFBABGDIU-SMDDNHRTSA-N 0 3 238.375 2.214 10 0 BEAEHN CC(C)CO[C@H]1COc2ccccc2[C@H]1N ZINC000019267845 188280591 /nfs/dbraw/zinc/28/05/91/188280591.db2.gz UQTSJVORLBCQOH-QWHCGFSZSA-N 0 3 221.300 2.120 10 0 BEAEHN COc1ccc([C@@H](N)[C@H](C)n2ccnc2)cc1 ZINC000023069217 188283316 /nfs/dbraw/zinc/28/33/16/188283316.db2.gz MNSMZEBWLTZVCR-GWCFXTLKSA-N 0 3 231.299 2.153 10 0 BEAEHN CC(C)[C@H](C)N(C)C(=O)c1cccc(CN)c1 ZINC000036786598 188286625 /nfs/dbraw/zinc/28/66/25/188286625.db2.gz CFGDZUAMKJJOKZ-NSHDSACASA-N 0 3 234.343 2.262 10 0 BEAEHN CC(C)C[C@H](C)N(C)C(=O)[C@](C)(N)C1CC1 ZINC000037807376 188288217 /nfs/dbraw/zinc/28/82/17/188288217.db2.gz OBOSXILGHYDXTK-GXFFZTMASA-N 0 3 226.364 2.007 10 0 BEAEHN CC(C)C[C@@H](CN[C@@H](C)c1cc[nH]n1)N(C)C ZINC000037906979 188288831 /nfs/dbraw/zinc/28/88/31/188288831.db2.gz FENJJGHNAPZYNG-RYUDHWBXSA-N 0 3 238.379 2.037 10 0 BEAEHN CC(C)(CO)CN1CCc2ccccc2C1 ZINC000049817521 188298617 /nfs/dbraw/zinc/29/86/17/188298617.db2.gz MVGFVLONDKQUAN-UHFFFAOYSA-N 0 3 219.328 2.063 10 0 BEAEHN COc1ccc(C(=O)CNCC(C)C)cc1F ZINC000049829653 188298935 /nfs/dbraw/zinc/29/89/35/188298935.db2.gz SDVAECOJIUISNX-UHFFFAOYSA-N 0 3 239.290 2.263 10 0 BEAEHN CC1CCC(Oc2ccnc(CN)c2)CC1 ZINC000051524619 188299875 /nfs/dbraw/zinc/29/98/75/188299875.db2.gz MEIMJFDWRXSULU-UHFFFAOYSA-N 0 3 220.316 2.498 10 0 BEAEHN CCN(C)c1ccc(F)cc1CNCCOC ZINC000062735050 188303180 /nfs/dbraw/zinc/30/31/80/188303180.db2.gz NMWYFQYZFOHWDS-UHFFFAOYSA-N 0 3 240.322 2.018 10 0 BEAEHN CC(C)COc1ccc([C@H](N)CN(C)C)cc1 ZINC000071547427 188306350 /nfs/dbraw/zinc/30/63/50/188306350.db2.gz AIVDBSFOMVKBSF-CQSZACIVSA-N 0 3 236.359 2.283 10 0 BEAEHN CC(C)N1CCC[C@@H](CNC(F)(F)F)C1 ZINC000095088270 188318795 /nfs/dbraw/zinc/31/87/95/188318795.db2.gz MCNWSZVBWGZHEF-VIFPVBQESA-N 0 3 224.270 2.216 10 0 BEAEHN COc1ncc(C(F)(F)F)cc1[C@@H](C)N ZINC000095756627 188320288 /nfs/dbraw/zinc/32/02/88/188320288.db2.gz FXESPSURMBYAFY-RXMQYKEDSA-N 0 3 220.194 2.129 10 0 BEAEHN CC(C)Cc1ncc2c(n1)CCC[C@@H]2N ZINC000050094068 188328271 /nfs/dbraw/zinc/32/82/71/188328271.db2.gz NEXMYOMUIALKTI-JTQLQIEISA-N 0 3 205.305 2.011 10 0 BEAEHN CC(C)[C@H](CNC1COC1)c1ccccc1 ZINC000231359693 188364253 /nfs/dbraw/zinc/36/42/53/188364253.db2.gz KTTOLEQVYWZFOZ-AWEZNQCLSA-N 0 3 219.328 2.415 10 0 BEAEHN Fc1ccc(Cc2noc([C@H]3CCCN3)n2)cc1 ZINC000036925430 180972693 /nfs/dbraw/zinc/97/26/93/180972693.db2.gz IYILMVBHWCQFTO-LLVKDONJSA-N 0 3 247.273 2.224 10 0 BEAEHN Cc1c(CNC2(C3(C)CC3)CC2)cnn1C ZINC000398117715 324218065 /nfs/dbraw/zinc/21/80/65/324218065.db2.gz BCDCIIQAPOQBSJ-UHFFFAOYSA-N 0 3 219.332 2.151 10 0 BEAEHN COC1CC(N[C@H](C)c2ccc(C)o2)C1 ZINC000230675827 363320125 /nfs/dbraw/zinc/32/01/25/363320125.db2.gz KGTOLFHWCIRUJT-KPPDAEKUSA-N 0 3 209.289 2.416 10 0 BEAEHN COC1CC(N[C@@H](C)c2ccc(C)o2)C1 ZINC000230675825 363319668 /nfs/dbraw/zinc/31/96/68/363319668.db2.gz KGTOLFHWCIRUJT-WHXUTIOJSA-N 0 3 209.289 2.416 10 0 BEAEHN Cc1nc([C@@H](C)N2CC3(CCC3)C[C@@H]2C)n[nH]1 ZINC000334645877 354435783 /nfs/dbraw/zinc/43/57/83/354435783.db2.gz PQMYGWOJJRBDTF-VHSXEESVSA-N 0 3 234.347 2.439 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cncn1CC ZINC000233410980 363400861 /nfs/dbraw/zinc/40/08/61/363400861.db2.gz HGTMIZKKYZJFNZ-CMPLNLGQSA-N 0 3 207.321 2.181 10 0 BEAEHN CCN1CCC[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000040502181 358493391 /nfs/dbraw/zinc/49/33/91/358493391.db2.gz FKGLHLPHZGNEAS-STQMWFEESA-N 0 3 233.359 2.217 10 0 BEAEHN N=C(N)c1cc(Oc2cccc(F)c2)ccn1 ZINC000061814478 181193511 /nfs/dbraw/zinc/19/35/11/181193511.db2.gz NCKLUGCQGJOVCU-UHFFFAOYSA-N 0 3 231.230 2.297 10 0 BEAEHN N=C(N)c1cc(OC2CCCCCC2)ccn1 ZINC000061814635 181194059 /nfs/dbraw/zinc/19/40/59/181194059.db2.gz ZCIWOJSUIWRQNX-UHFFFAOYSA-N 0 3 233.315 2.467 10 0 BEAEHN CN[C@@H]1COc2cc(F)c(Cl)cc21 ZINC000134374197 355591599 /nfs/dbraw/zinc/59/15/99/355591599.db2.gz QDYMHIKNNLXPAB-MRVPVSSYSA-N 0 3 201.628 2.132 10 0 BEAEHN CCc1ccc(CN[C@H]2CCN(CC)C2)o1 ZINC000389197266 355838804 /nfs/dbraw/zinc/83/88/04/355838804.db2.gz XOXVPMPXOIBMCD-NSHDSACASA-N 0 3 222.332 2.026 10 0 BEAEHN CCN1CC[C@H](NCc2cc(C)ccc2OC)C1 ZINC000389249837 355936073 /nfs/dbraw/zinc/93/60/73/355936073.db2.gz MNYVBRAUUMCRBL-AWEZNQCLSA-N 0 3 248.370 2.187 10 0 BEAEHN Cc1nc(C)c(CN2C[C@H](O)CC[C@@H]2C)s1 ZINC000421003672 192297387 /nfs/dbraw/zinc/29/73/87/192297387.db2.gz COEGBDFEZHFWNX-GZMMTYOYSA-N 0 3 240.372 2.105 10 0 BEAEHN FC1(F)CCC[C@@H]1CN1CCN(C2CC2)CC1 ZINC000336202011 134130680 /nfs/dbraw/zinc/13/06/80/134130680.db2.gz YWCSUECLYFRTAL-LLVKDONJSA-N 0 3 244.329 2.202 10 0 BEAEHN O[C@H]([C@@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000336215224 134136437 /nfs/dbraw/zinc/13/64/37/134136437.db2.gz MUULAJOEQHHKRI-PSASIEDQSA-N 0 3 237.265 2.174 10 0 BEAEHN c1nn(CC2CCC2)cc1CNC1CCC1 ZINC000675056676 538479042 /nfs/dbraw/zinc/47/90/42/538479042.db2.gz VBCFPBOJUSZBKC-UHFFFAOYSA-N 0 3 219.332 2.325 10 0 BEAEHN CCNCc1c(N)cc(Cl)cc1F ZINC000675051057 538473660 /nfs/dbraw/zinc/47/36/60/538473660.db2.gz ISAOOHIRASTYDW-UHFFFAOYSA-N 0 3 202.660 2.171 10 0 BEAEHN CCCc1cn2c(n1)[C@@H](CCF)NCCC2 ZINC000675068733 538496866 /nfs/dbraw/zinc/49/68/66/538496866.db2.gz SEWIINJKSDECFP-LLVKDONJSA-N 0 3 225.311 2.230 10 0 BEAEHN CC[C@H](C)c1nnc([C@H](N)[C@@H](C)CC)[nH]1 ZINC000675061372 538487197 /nfs/dbraw/zinc/48/71/97/538487197.db2.gz ZWRAZIVBBAEYLO-XHNCKOQMSA-N 0 3 210.325 2.364 10 0 BEAEHN CC[C@H](C)c1nc([C@H](N)[C@@H](C)CC)n[nH]1 ZINC000675061372 538487198 /nfs/dbraw/zinc/48/71/98/538487198.db2.gz ZWRAZIVBBAEYLO-XHNCKOQMSA-N 0 3 210.325 2.364 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cc(OC)ns1 ZINC000399097637 366324715 /nfs/dbraw/zinc/32/47/15/366324715.db2.gz ZGCGAPVZSNDNEX-WPRPVWTQSA-N 0 3 226.345 2.430 10 0 BEAEHN COc1nc2cc(C)cc(C)c2cc1CN ZINC000675070472 538502298 /nfs/dbraw/zinc/50/22/98/538502298.db2.gz ZJKNAMIUXPJWOH-UHFFFAOYSA-N 0 3 216.284 2.319 10 0 BEAEHN CC(C)C(=O)CCCN1CCC[C@H](N(C)C)C1 ZINC000675075290 538509004 /nfs/dbraw/zinc/50/90/04/538509004.db2.gz KQGSMYABJPCDHL-ZDUSSCGKSA-N 0 3 240.391 2.018 10 0 BEAEHN CC(C)C1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675078826 538515733 /nfs/dbraw/zinc/51/57/33/538515733.db2.gz UHFOFBAYDIRUBY-NSHDSACASA-N 0 3 240.347 2.147 10 0 BEAEHN COc1ccc([C@@H]2C[C@@H](F)CN2)cc1OC ZINC000675082641 538523300 /nfs/dbraw/zinc/52/33/00/538523300.db2.gz RNRNPNYBVVKFSV-ZJUUUORDSA-N 0 3 225.263 2.076 10 0 BEAEHN Cc1nc(-c2ccoc2C)sc1CN ZINC000160435231 356971901 /nfs/dbraw/zinc/97/19/01/356971901.db2.gz UVNIBZIDBMSAJT-UHFFFAOYSA-N 0 3 208.286 2.479 10 0 BEAEHN CO[C@@H](CN)c1ccc(C)cc1Br ZINC000129814206 356975090 /nfs/dbraw/zinc/97/50/90/356975090.db2.gz MSIDPZZKMIQNFC-JTQLQIEISA-N 0 3 244.132 2.404 10 0 BEAEHN CCN1CCC[C@H](NCc2nc(C)cs2)C1 ZINC000117383642 356979342 /nfs/dbraw/zinc/97/93/42/356979342.db2.gz JOFHCUVLQOOJEJ-NSHDSACASA-N 0 3 239.388 2.025 10 0 BEAEHN C[C@H]1Oc2cc(Br)c(F)cc2[C@@H]1N ZINC000137656169 357223983 /nfs/dbraw/zinc/22/39/83/357223983.db2.gz HWDIASYDIKRVTK-ALFREKQPSA-N 0 3 246.079 2.369 10 0 BEAEHN CC(C)=C(F)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188682716 357572046 /nfs/dbraw/zinc/57/20/46/357572046.db2.gz AAKBQBQYSDZRSU-UHFFFAOYSA-N 0 3 248.301 2.169 10 0 BEAEHN COC1CC(N[C@H]2CCOc3ccccc32)C1 ZINC000230673801 357548596 /nfs/dbraw/zinc/54/85/96/357548596.db2.gz JWCVECCHYFERCG-XIVSLSHWSA-N 0 3 233.311 2.277 10 0 BEAEHN C[C@@H]1CC[C@H](CN2CCC[C@@H]2c2cnn(C)c2)O1 ZINC000188576058 357562675 /nfs/dbraw/zinc/56/26/75/357562675.db2.gz GRUVHJDPCXUKDL-MRVWCRGKSA-N 0 3 249.358 2.125 10 0 BEAEHN CCC1(C)CCN([C@H]2CCNC[C@H]2F)CC1 ZINC000685948674 538891207 /nfs/dbraw/zinc/89/12/07/538891207.db2.gz SVDTUHWELQOJEN-NEPJUHHUSA-N 0 3 228.355 2.199 10 0 BEAEHN CC[C@H](C)CC(=O)N1CCCN(C2CC2)CC1 ZINC000190744851 357729957 /nfs/dbraw/zinc/72/99/57/357729957.db2.gz GTXXLDBACUFWAA-LBPRGKRZSA-N 0 3 238.375 2.119 10 0 BEAEHN CC[C@@H](c1ccccc1)N1CCCN(C)C(=O)C1 ZINC000191084095 357748620 /nfs/dbraw/zinc/74/86/20/357748620.db2.gz YNWORIJVAAXLEE-AWEZNQCLSA-N 0 3 246.354 2.302 10 0 BEAEHN NC[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000038436485 358152948 /nfs/dbraw/zinc/15/29/48/358152948.db2.gz KACYEBSXIWUJQN-AWEZNQCLSA-N 0 3 240.306 2.116 10 0 BEAEHN CN(Cc1ccc[nH]1)C[C@H](O)c1ccccc1 ZINC000584596190 358253982 /nfs/dbraw/zinc/25/39/82/358253982.db2.gz ZPTSDXLQVUMSRU-AWEZNQCLSA-N 0 3 230.311 2.180 10 0 BEAEHN COC(=O)c1ccc([C@@H]2CCCCN2)c(OC)c1 ZINC000584597847 358255786 /nfs/dbraw/zinc/25/57/86/358255786.db2.gz PHKBIZKJYRCNGN-LBPRGKRZSA-N 0 3 249.310 2.296 10 0 BEAEHN CCC[C@H](C(=O)N1CC[C@@H](N(C)C)C1)C(C)C ZINC000134602004 325366834 /nfs/dbraw/zinc/36/68/34/325366834.db2.gz GBDIGNIMVXPYHK-OLZOCXBDSA-N 0 3 240.391 2.221 10 0 BEAEHN O=C(CCN1CCCCC1)c1ccncc1 ZINC000584620990 358288034 /nfs/dbraw/zinc/28/80/34/358288034.db2.gz AHWRQOMOGJVTEJ-UHFFFAOYSA-N 0 3 218.300 2.140 10 0 BEAEHN C[C@@H]1Cn2ncc(-c3ccc(F)cc3F)c2CN1 ZINC000584648255 358302646 /nfs/dbraw/zinc/30/26/46/358302646.db2.gz FFCZJRFUQVSEBX-MRVPVSSYSA-N 0 3 249.264 2.320 10 0 BEAEHN Cc1nnc(CN[C@@H](C(C)C)C2CC2)s1 ZINC000134721601 325373175 /nfs/dbraw/zinc/37/31/75/325373175.db2.gz GTNJOLOUFIEFRF-NSHDSACASA-N 0 3 225.361 2.371 10 0 BEAEHN CCOC(=O)C[C@@H](C)N1CCc2ccccc2C1 ZINC000043622523 358384510 /nfs/dbraw/zinc/38/45/10/358384510.db2.gz XKUWPCSHXBZPCA-GFCCVEGCSA-N 0 3 247.338 2.386 10 0 BEAEHN CC[C@H](COC)N[C@@H](CO)c1sccc1C ZINC000130453696 358626427 /nfs/dbraw/zinc/62/64/27/358626427.db2.gz OYOMEPGBEVEQSV-MNOVXSKESA-N 0 3 243.372 2.105 10 0 BEAEHN COc1cc(C)nc(CNCCc2ccco2)c1 ZINC000214149099 358760691 /nfs/dbraw/zinc/76/06/91/358760691.db2.gz IWSDJSYUYQIQGC-UHFFFAOYSA-N 0 3 246.310 2.324 10 0 BEAEHN OCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000132102191 358708187 /nfs/dbraw/zinc/70/81/87/358708187.db2.gz OIOWCEJBIRLZNH-NSHDSACASA-N 0 3 241.718 2.136 10 0 BEAEHN CC[C@@H](N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050394464 358726106 /nfs/dbraw/zinc/72/61/06/358726106.db2.gz WLEPUDXUIVQSMC-CHWSQXEVSA-N 0 3 232.327 2.006 10 0 BEAEHN O=C1NCCC[C@@H]1N[C@H](c1ccccc1)C1CC1 ZINC000050395480 358726313 /nfs/dbraw/zinc/72/63/13/358726313.db2.gz JCZVTTPZIVTYCM-UONOGXRCSA-N 0 3 244.338 2.006 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCCNC2=O)cc1C ZINC000050394557 358726587 /nfs/dbraw/zinc/72/65/87/358726587.db2.gz JQBRJQMSLVJHLI-TZMCWYRMSA-N 0 3 246.354 2.233 10 0 BEAEHN CS[C@H]1CCCC[C@H]1NC1=NCCS1 ZINC000300385323 358981127 /nfs/dbraw/zinc/98/11/27/358981127.db2.gz KJPWBMMTHAZRID-BDAKNGLRSA-N 0 3 230.402 2.353 10 0 BEAEHN C[C@@]1([C@H](N)c2ccsn2)CCCS1 ZINC000306179919 358990784 /nfs/dbraw/zinc/99/07/84/358990784.db2.gz IYXJRSBOJJVFFN-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@@H]1CC[C@@](N)(c2ncc(Cl)cn2)C1 ZINC000306212410 359307115 /nfs/dbraw/zinc/30/71/15/359307115.db2.gz VQTMFMTXAWTZBI-XCBNKYQSSA-N 0 3 211.696 2.104 10 0 BEAEHN FCCNC1=N[C@@H]2CCCC[C@@H]2CS1 ZINC000306226567 359354777 /nfs/dbraw/zinc/35/47/77/359354777.db2.gz VYNOQOPKFTUGSA-RKDXNWHRSA-N 0 3 216.325 2.207 10 0 BEAEHN C[C@@H](O)C1CCN(Cc2ccccc2)CC1 ZINC000001723274 359632225 /nfs/dbraw/zinc/63/22/25/359632225.db2.gz APLPFTYDMDHGAR-GFCCVEGCSA-N 0 3 219.328 2.279 10 0 BEAEHN CCN1C[C@H](Nc2ncc(C)s2)[C@@H](C)C1 ZINC000309030410 491142597 /nfs/dbraw/zinc/14/25/97/491142597.db2.gz DHIZXVZRYWDFJG-WPRPVWTQSA-N 0 3 225.361 2.204 10 0 BEAEHN O=C1C[C@@H](N2CCCCC2)CN1c1ccccc1 ZINC000006096780 359664291 /nfs/dbraw/zinc/66/42/91/359664291.db2.gz HXYYSKMOHXXOAW-CQSZACIVSA-N 0 3 244.338 2.278 10 0 BEAEHN CNC(C)(C)C(=O)c1ccc(F)cc1C ZINC000169198213 359749914 /nfs/dbraw/zinc/74/99/14/359749914.db2.gz USEYHCUELWOKRN-UHFFFAOYSA-N 0 3 209.264 2.315 10 0 BEAEHN CCc1nnc(CNC2(CC)CCCC2)n1C ZINC000451276500 202395498 /nfs/dbraw/zinc/39/54/98/202395498.db2.gz ORBJCCALTPDBPE-UHFFFAOYSA-N 0 3 236.363 2.190 10 0 BEAEHN CCCC(=O)Nc1cccc2c1CNCC2 ZINC000087521309 359916760 /nfs/dbraw/zinc/91/67/60/359916760.db2.gz JPEQQDFGOCTTEV-UHFFFAOYSA-N 0 3 218.300 2.071 10 0 BEAEHN CSC1([C@H]2NC[C@@H](C)CS2)CC1 ZINC000306446623 360013294 /nfs/dbraw/zinc/01/32/94/360013294.db2.gz BOXSHDNABCMLLV-SFYZADRCSA-N 0 3 203.376 2.181 10 0 BEAEHN CC(C)n1cncc1CN[C@@H](C)[C@H]1CCCO1 ZINC000090207727 360064764 /nfs/dbraw/zinc/06/47/64/360064764.db2.gz DIGGXQZONJBPNI-WCQYABFASA-N 0 3 237.347 2.121 10 0 BEAEHN CC1(NC2=NC[C@@H](C3CCC3)S2)CC1 ZINC000306468919 360084019 /nfs/dbraw/zinc/08/40/19/360084019.db2.gz ONQXVTFEEVSHPI-VIFPVBQESA-N 0 3 210.346 2.400 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(F)cn1 ZINC000092196583 360156029 /nfs/dbraw/zinc/15/60/29/360156029.db2.gz FXGJJSAMNALPFM-SBMIAAHKSA-N 0 3 224.279 2.049 10 0 BEAEHN CCO[C@H]1C[C@H](NC2COC2)C12CCCCC2 ZINC000094710077 360316303 /nfs/dbraw/zinc/31/63/03/360316303.db2.gz MQPRFZHQCYLRCW-STQMWFEESA-N 0 3 239.359 2.103 10 0 BEAEHN C[C@@H](n1cncc1[C@H](C)N)C(F)(F)F ZINC000306523718 360360999 /nfs/dbraw/zinc/36/09/99/360360999.db2.gz UQRZUFYPDJBXJW-NTSWFWBYSA-N 0 3 207.199 2.026 10 0 BEAEHN CC(C)[C@H]1OCC[C@@H]1CNCc1nccs1 ZINC000309414663 491148973 /nfs/dbraw/zinc/14/89/73/491148973.db2.gz YNWKTOZLCLIBRO-ZYHUDNBSSA-N 0 3 240.372 2.294 10 0 BEAEHN C[C@@H](c1cccs1)n1cnc(CN)c1 ZINC000300735729 360423371 /nfs/dbraw/zinc/42/33/71/360423371.db2.gz LCGFNHWUWKGGJJ-QMMMGPOBSA-N 0 3 207.302 2.013 10 0 BEAEHN CC1(C)[C@@H](N)[C@H]1c1occc1Br ZINC000300783138 360502741 /nfs/dbraw/zinc/50/27/41/360502741.db2.gz VSBLRHNQQWOQKM-SVRRBLITSA-N 0 3 230.105 2.493 10 0 BEAEHN NC(=S)CCCN1CCc2sccc2C1 ZINC000019476681 181314991 /nfs/dbraw/zinc/31/49/91/181314991.db2.gz HNAOXQWENACUST-UHFFFAOYSA-N 0 3 240.397 2.173 10 0 BEAEHN N[C@H]1CCC[S@](=O)c2c(Cl)cccc21 ZINC000040973848 360983287 /nfs/dbraw/zinc/98/32/87/360983287.db2.gz BASJHFHBNVWQNC-LKFCYVNXSA-N 0 3 229.732 2.241 10 0 BEAEHN COc1c(CN)cccc1OC(F)(F)F ZINC000238382723 360987799 /nfs/dbraw/zinc/98/77/99/360987799.db2.gz TUYZDOJTZPDVGQ-UHFFFAOYSA-N 0 3 221.178 2.053 10 0 BEAEHN NC1(C(=O)N2C[C@H]3CCCCC[C@H]32)CCCC1 ZINC000368396565 181323697 /nfs/dbraw/zinc/32/36/97/181323697.db2.gz DTQZMGPBTWRYNC-VXGBXAGGSA-N 0 3 236.359 2.049 10 0 BEAEHN NCc1nc(OC(F)(F)F)ccc1Cl ZINC000238594552 361161024 /nfs/dbraw/zinc/16/10/24/361161024.db2.gz SZLLZKZKOPXNAR-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN CN[C@@H](c1nc2c(s1)CCC2)C1CC1 ZINC000041060843 361241665 /nfs/dbraw/zinc/24/16/65/361241665.db2.gz GOWQHPDSKKGIBP-SNVBAGLBSA-N 0 3 208.330 2.302 10 0 BEAEHN C[C@@H]1C[C@@]1(N)c1ccncc1Br ZINC000306637883 361585564 /nfs/dbraw/zinc/58/55/64/361585564.db2.gz MPNVPPYKUXDUTH-MUWHJKNJSA-N 0 3 227.105 2.038 10 0 BEAEHN C[C@@H](NCc1cn[nH]c1)c1cccs1 ZINC000038005771 361639093 /nfs/dbraw/zinc/63/90/93/361639093.db2.gz DISHWHJUHABMMA-MRVPVSSYSA-N 0 3 207.302 2.322 10 0 BEAEHN C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC000171236898 365182164 /nfs/dbraw/zinc/18/21/64/365182164.db2.gz YBEMJUYJDZEYKC-BJDJZHNGSA-N 0 3 238.375 2.162 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1nnc(C2CCC2)[nH]1 ZINC000675060560 541464261 /nfs/dbraw/zinc/46/42/61/541464261.db2.gz IZHSMQHCNSEJSC-APPZFPTMSA-N 0 3 208.309 2.118 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1n[nH]c(C2CCC2)n1 ZINC000675060560 541464266 /nfs/dbraw/zinc/46/42/66/541464266.db2.gz IZHSMQHCNSEJSC-APPZFPTMSA-N 0 3 208.309 2.118 10 0 BEAEHN CC(C)(C)c1ccc2[nH]c(=O)c(CN)cc2c1 ZINC000011980174 541482000 /nfs/dbraw/zinc/48/20/00/541482000.db2.gz AOZAQOMIUGLIND-UHFFFAOYSA-N 0 3 230.311 2.284 10 0 BEAEHN CN(C)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224892025 368367907 /nfs/dbraw/zinc/36/79/07/368367907.db2.gz YBKBOXXUWCPULQ-UHFFFAOYSA-N 0 3 244.678 2.189 10 0 BEAEHN C[C@H]([C@@H]1COc2ccccc2O1)N1CCCC1 ZINC000001843856 368708196 /nfs/dbraw/zinc/70/81/96/368708196.db2.gz KAXULGXUSBBIMN-RISCZKNCSA-N 0 3 233.311 2.311 10 0 BEAEHN CN(C)CC[C@@H](O)c1cc(-c2ccccc2)no1 ZINC000002029655 368740311 /nfs/dbraw/zinc/74/03/11/368740311.db2.gz KWJLXLLJFQTXHJ-CYBMUJFWSA-N 0 3 246.310 2.327 10 0 BEAEHN CN(C)CCOc1cc(N)cc(C(F)(F)F)c1 ZINC000114063340 368919566 /nfs/dbraw/zinc/91/95/66/368919566.db2.gz UFTCFHSUULJWFB-UHFFFAOYSA-N 0 3 248.248 2.228 10 0 BEAEHN NCc1ccnc(Oc2cccc(F)c2)c1 ZINC000022170684 181491009 /nfs/dbraw/zinc/49/10/09/181491009.db2.gz FCQFGNYQBCVQPF-UHFFFAOYSA-N 0 3 218.231 2.472 10 0 BEAEHN C[C@@H](NCc1cncc(Cl)c1)[C@H]1CCCO1 ZINC000621277312 370208111 /nfs/dbraw/zinc/20/81/11/370208111.db2.gz GWBHHIPNVUBFAQ-BXKDBHETSA-N 0 3 240.734 2.392 10 0 BEAEHN CC1=[N+]([O-])C2(CCCC2)[N+]([O-])=C1c1ccccc1 ZINC000225412293 370579314 /nfs/dbraw/zinc/57/93/14/370579314.db2.gz JEMHQWLFKSNTEO-UHFFFAOYSA-N 0 3 246.310 2.024 10 0 BEAEHN CC(C)c1ccc(CN[C@H]2CCOC[C@H]2O)cc1 ZINC000623763781 371086078 /nfs/dbraw/zinc/08/60/78/371086078.db2.gz OYIUJBPHHQTZIP-LSDHHAIUSA-N 0 3 249.354 2.049 10 0 BEAEHN CCC[C@@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000389961604 371183923 /nfs/dbraw/zinc/18/39/23/371183923.db2.gz WAZLYDKAASZLKO-ZYHUDNBSSA-N 0 3 207.321 2.468 10 0 BEAEHN N[C@H](CC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000049716770 181610633 /nfs/dbraw/zinc/61/06/33/181610633.db2.gz ZYVBJDLDOBBLJV-IACUBPJLSA-N 0 3 244.338 2.087 10 0 BEAEHN N[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000035679624 181638113 /nfs/dbraw/zinc/63/81/13/181638113.db2.gz OKCYLTHMIGWZCQ-ZETCQYMHSA-N 0 3 245.109 2.057 10 0 BEAEHN N[C@H]1CCC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000001767157 181639897 /nfs/dbraw/zinc/63/98/97/181639897.db2.gz VVTSGBJOOHVOBF-DZGCQCFKSA-N 0 3 240.306 2.118 10 0 BEAEHN CNCc1cnc(-c2csc(C)n2)s1 ZINC000126770475 371548995 /nfs/dbraw/zinc/54/89/95/371548995.db2.gz CMFGTARWIMTZFI-UHFFFAOYSA-N 0 3 225.342 2.294 10 0 BEAEHN CN[C@@H](c1ccsc1C)[C@@H]1CCCO1 ZINC000227792262 371939742 /nfs/dbraw/zinc/93/97/42/371939742.db2.gz FAJQFURLYQRIIA-QWRGUYRKSA-N 0 3 211.330 2.496 10 0 BEAEHN CCOC(=O)C[C@H](N)c1cc(Cl)ccc1F ZINC000163017823 371911208 /nfs/dbraw/zinc/91/12/08/371911208.db2.gz NBPWLPKLBGERLA-JTQLQIEISA-N 0 3 245.681 2.432 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000627727945 371916198 /nfs/dbraw/zinc/91/61/98/371916198.db2.gz WMHKZZPDATVEMQ-RYUDHWBXSA-N 0 3 234.343 2.170 10 0 BEAEHN Cc1cncc([C@H](N)c2cccs2)c1 ZINC000227952430 371962620 /nfs/dbraw/zinc/96/26/20/371962620.db2.gz DKVUKWYBRYFLNI-NSHDSACASA-N 0 3 204.298 2.500 10 0 BEAEHN Cc1ccc(Br)c(OC2CNC2)c1 ZINC000217406454 371949159 /nfs/dbraw/zinc/94/91/59/371949159.db2.gz ZLXVABVRIZGXEK-UHFFFAOYSA-N 0 3 242.116 2.108 10 0 BEAEHN C[C@@H]1C[C@]1(N)c1ccc(Br)cn1 ZINC000133347747 372027846 /nfs/dbraw/zinc/02/78/46/372027846.db2.gz RCXAGVMYYZARSM-HZGVNTEJSA-N 0 3 227.105 2.038 10 0 BEAEHN CC[C@H]1C[C@@]1(N)c1ccc(Br)cn1 ZINC000133350785 372028137 /nfs/dbraw/zinc/02/81/37/372028137.db2.gz YJKWBIDIDHFNNE-XVKPBYJWSA-N 0 3 241.132 2.428 10 0 BEAEHN N[C@@H](c1cscn1)[C@H]1CCCS1 ZINC000306279258 372006268 /nfs/dbraw/zinc/00/62/68/372006268.db2.gz RSYYLUQEFBDRGP-SFYZADRCSA-N 0 3 200.332 2.039 10 0 BEAEHN Cc1cc([C@H](F)[C@H]2CCCN2)sn1 ZINC000306346975 372012489 /nfs/dbraw/zinc/01/24/89/372012489.db2.gz BUKOBZFDIOFKGO-VXNVDRBHSA-N 0 3 200.282 2.214 10 0 BEAEHN CC1(C)CCC[C@@H]1CN1CCC(=O)CC1 ZINC000306875759 372074315 /nfs/dbraw/zinc/07/43/15/372074315.db2.gz HEAPVIGGFBCXHA-LLVKDONJSA-N 0 3 209.333 2.478 10 0 BEAEHN Cc1nc(C[C@@H](N)c2ccoc2)cs1 ZINC000068980117 373100302 /nfs/dbraw/zinc/10/03/02/373100302.db2.gz BOSFMSWVQQUYKQ-SNVBAGLBSA-N 0 3 208.286 2.287 10 0 BEAEHN Nc1ncccc1[C@@H](N)C1CCCCC1 ZINC000069845089 373876530 /nfs/dbraw/zinc/87/65/30/373876530.db2.gz KOIRDNORLOHJSK-NSHDSACASA-N 0 3 205.305 2.244 10 0 BEAEHN CNCc1nc2c(s1)CC(C)(C)CC2 ZINC000070654374 374171835 /nfs/dbraw/zinc/17/18/35/374171835.db2.gz SBJNFAFRJVOMTL-UHFFFAOYSA-N 0 3 210.346 2.377 10 0 BEAEHN O=C(Nc1cc(F)ccc1F)[C@@H]1CCCCN1 ZINC000019408798 182350326 /nfs/dbraw/zinc/35/03/26/182350326.db2.gz HVROYXHSOVFQPM-JTQLQIEISA-N 0 3 240.253 2.045 10 0 BEAEHN OCCN(Cc1ccoc1)C1CCCCC1 ZINC000122267817 183070197 /nfs/dbraw/zinc/07/01/97/183070197.db2.gz XHQJRIDIWLASDN-UHFFFAOYSA-N 0 3 223.316 2.407 10 0 BEAEHN OCC[C@@H](NC1CC1)c1nccc2ccccc21 ZINC000095078779 183089833 /nfs/dbraw/zinc/08/98/33/183089833.db2.gz CAXATLMYAYWTEM-CQSZACIVSA-N 0 3 242.322 2.410 10 0 BEAEHN OC[C@@H]1CCCCN(Cc2ccc(F)cc2)C1 ZINC000374048563 183115589 /nfs/dbraw/zinc/11/55/89/183115589.db2.gz FSRHVZTWRUHBIT-CYBMUJFWSA-N 0 3 237.318 2.420 10 0 BEAEHN O[C@@H]1CCN[C@@H](c2ccccc2Cl)C1 ZINC000041225876 183200260 /nfs/dbraw/zinc/20/02/60/183200260.db2.gz JPIKAVDNAZTEIW-LDYMZIIASA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H]1CC[C@H](NCc2cnc(Cl)s2)CC1 ZINC000100178337 183201966 /nfs/dbraw/zinc/20/19/66/183201966.db2.gz SQONRQLNHUZFGN-OCAPTIKFSA-N 0 3 246.763 2.190 10 0 BEAEHN O[C@@H]1CCCN[C@H]1c1cccc(Cl)c1 ZINC000060114281 183194583 /nfs/dbraw/zinc/19/45/83/183194583.db2.gz FWZXKAJWPUSUIW-MNOVXSKESA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2cccc(F)c2F)C1 ZINC000104238350 183195140 /nfs/dbraw/zinc/19/51/40/183195140.db2.gz UVBRAHASPKQPHQ-GHMZBOCLSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000037509513 183195440 /nfs/dbraw/zinc/19/54/40/183195440.db2.gz WIWJGYIWKYXNMS-RKDXNWHRSA-N 0 3 229.707 2.326 10 0 BEAEHN O[C@@]12CCCC[C@H]1CN(Cc1cccnc1)CC2 ZINC000019339008 183218177 /nfs/dbraw/zinc/21/81/77/183218177.db2.gz YLXVDEWNLHNDPV-LSDHHAIUSA-N 0 3 246.354 2.209 10 0 BEAEHN O[C@H](C1=NCCN1)c1c(Cl)cccc1Cl ZINC000003649867 183218245 /nfs/dbraw/zinc/21/82/45/183218245.db2.gz ODBTYWLKQRMUBB-VIFPVBQESA-N 0 3 245.109 2.029 10 0 BEAEHN O[C@@]12CCCC[C@@H]1CN(Cc1ccncc1)CC2 ZINC000019405211 183218269 /nfs/dbraw/zinc/21/82/69/183218269.db2.gz DFQPELNVIXKUCR-HUUCEWRRSA-N 0 3 246.354 2.209 10 0 BEAEHN O[C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000306645869 183238858 /nfs/dbraw/zinc/23/88/58/183238858.db2.gz FYGATCWFCMOQQG-ZDUSSCGKSA-N 0 3 217.312 2.176 10 0 BEAEHN O[C@H]1c2ccccc2C[C@H]1NCc1ccccc1 ZINC000082312728 183250318 /nfs/dbraw/zinc/25/03/18/183250318.db2.gz KYGXIHHOKOKQPH-CVEARBPZSA-N 0 3 239.318 2.435 10 0 BEAEHN O[C@H]1CCCN[C@H]1c1ccccc1Cl ZINC000082372980 183235283 /nfs/dbraw/zinc/23/52/83/183235283.db2.gz ALSKCVLWZUYSNV-QWRGUYRKSA-N 0 3 211.692 2.125 10 0 BEAEHN CCCN(CCC)[C@@H](CN)c1ccccn1 ZINC000019279626 169151251 /nfs/dbraw/zinc/15/12/51/169151251.db2.gz BJHHMOPZESIFOB-ZDUSSCGKSA-N 0 3 221.348 2.203 10 0 BEAEHN CCCN(CCC)[C@H](CN)c1ccco1 ZINC000019795929 169152938 /nfs/dbraw/zinc/15/29/38/169152938.db2.gz GXWBYYWMBFLSPJ-LLVKDONJSA-N 0 3 210.321 2.401 10 0 BEAEHN Oc1cccc([C@@H]2CN3CCC2CC3)c1 ZINC000029247261 183294863 /nfs/dbraw/zinc/29/48/63/183294863.db2.gz XJFROBCJDBLYRU-CYBMUJFWSA-N 0 3 203.285 2.201 10 0 BEAEHN CCCN(c1nc2ccccn2c1CN)C(C)C ZINC000035449222 169183864 /nfs/dbraw/zinc/18/38/64/169183864.db2.gz ZNLONLCPCCRDTO-UHFFFAOYSA-N 0 3 246.358 2.418 10 0 BEAEHN c1c([C@H]2CCCCN2)nc2n1CCCC2 ZINC000082931201 183322228 /nfs/dbraw/zinc/32/22/28/183322228.db2.gz ZBMDMBRTQUAAIA-SNVBAGLBSA-N 0 3 205.305 2.034 10 0 BEAEHN c1nc(-c2ccncc2)sc1CNC1CC1 ZINC000040996783 183332416 /nfs/dbraw/zinc/33/24/16/183332416.db2.gz YHXLYKRMLCGOPR-UHFFFAOYSA-N 0 3 231.324 2.457 10 0 BEAEHN CCCN1CCc2nc(NCC)sc2C1 ZINC000061714358 169208856 /nfs/dbraw/zinc/20/88/56/169208856.db2.gz IBWLAMLDEZJSPN-UHFFFAOYSA-N 0 3 225.361 2.343 10 0 BEAEHN CCCNC(=O)Nc1ccccc1[C@@H](C)N ZINC000020256741 169240164 /nfs/dbraw/zinc/24/01/64/169240164.db2.gz IULPFTSSZSYWAN-SECBINFHSA-N 0 3 221.304 2.238 10 0 BEAEHN CCCNCc1nc2c(cccc2C)[nH]1 ZINC000044624191 169269530 /nfs/dbraw/zinc/26/95/30/169269530.db2.gz KTJPYORCHWXVNE-UHFFFAOYSA-N 0 3 203.289 2.371 10 0 BEAEHN CCCN[C@@H](C)c1nc2ccccc2n1CCO ZINC000062366648 169276647 /nfs/dbraw/zinc/27/66/47/169276647.db2.gz GKCMDRNTCBQXQI-NSHDSACASA-N 0 3 247.342 2.089 10 0 BEAEHN CCCN[C@@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647117 169282870 /nfs/dbraw/zinc/28/28/70/169282870.db2.gz JNVIRDPFCMSFQY-CYBMUJFWSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCN[C@@H]1COc2c1cc(F)cc2F ZINC000035653401 169282905 /nfs/dbraw/zinc/28/29/05/169282905.db2.gz ZXWCBLWJHHHWOS-SNVBAGLBSA-N 0 3 213.227 2.398 10 0 BEAEHN CCCN[C@@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976237 169283093 /nfs/dbraw/zinc/28/30/93/169283093.db2.gz KXBWDHBFPYXWCO-BZNIZROVSA-N 0 3 241.331 2.378 10 0 BEAEHN CCCN[C@@H]1CCN(c2cccc(CC)c2)C1=O ZINC000049647839 169283517 /nfs/dbraw/zinc/28/35/17/169283517.db2.gz ITCIGFXWYLMRDQ-CQSZACIVSA-N 0 3 246.354 2.354 10 0 BEAEHN CCCO[C@@H]1CCCN(Cc2cncnc2)CC1 ZINC000124011372 169311719 /nfs/dbraw/zinc/31/17/19/169311719.db2.gz ZYSPGJZMCVNRTJ-CQSZACIVSA-N 0 3 249.358 2.258 10 0 BEAEHN CCCO[C@H]1CCCN(Cc2cncnc2)CC1 ZINC000124011604 169312911 /nfs/dbraw/zinc/31/29/11/169312911.db2.gz ZYSPGJZMCVNRTJ-AWEZNQCLSA-N 0 3 249.358 2.258 10 0 BEAEHN CCCNc1cc2c(nn1)CCN(CCC)C2 ZINC000054931221 169294213 /nfs/dbraw/zinc/29/42/13/169294213.db2.gz HISGKWGLSGGDSY-UHFFFAOYSA-N 0 3 234.347 2.067 10 0 BEAEHN CCCSc1nnc(C)c(C)c1CN ZINC000040290657 169341922 /nfs/dbraw/zinc/34/19/22/169341922.db2.gz SFNYRANYLULPTD-UHFFFAOYSA-N 0 3 211.334 2.054 10 0 BEAEHN CCCOc1ccc([C@H](CO)NC2CC2)cc1 ZINC000052920681 169322417 /nfs/dbraw/zinc/32/24/17/169322417.db2.gz XFXIAXWGLUNAAC-AWEZNQCLSA-N 0 3 235.327 2.261 10 0 BEAEHN CCCOc1ccc2c(c1)[C@@H](N)[C@@H](C)O2 ZINC000043634441 169323614 /nfs/dbraw/zinc/32/36/14/169323614.db2.gz XEPCSDIGGSISEX-PELKAZGASA-N 0 3 207.273 2.256 10 0 BEAEHN CCCOc1ccnc2c1CCC[C@@H]2N ZINC000095221072 169328295 /nfs/dbraw/zinc/32/82/95/169328295.db2.gz IDRFVJHAMVSERQ-JTQLQIEISA-N 0 3 206.289 2.207 10 0 BEAEHN CCC[C@@H](C)NCc1nc2ccccc2c(=O)[nH]1 ZINC000036803864 169370236 /nfs/dbraw/zinc/37/02/36/169370236.db2.gz NOQACGMWMGPDDE-SNVBAGLBSA-N 0 3 245.326 2.201 10 0 BEAEHN CCC[C@@H](C)N(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000037505085 169363147 /nfs/dbraw/zinc/36/31/47/169363147.db2.gz CZTWNRHXEFLALG-TZMCWYRMSA-N 0 3 248.370 2.203 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1nc(C(C)C)cs1 ZINC000049237318 169392661 /nfs/dbraw/zinc/39/26/61/169392661.db2.gz WDRZHBGBSRTURW-MRVPVSSYSA-N 0 3 241.360 2.332 10 0 BEAEHN CCC[C@@H](N)c1nc(-c2ccccn2)c[nH]1 ZINC000036873800 169393756 /nfs/dbraw/zinc/39/37/56/169393756.db2.gz JDULDDKDLKLQCR-SECBINFHSA-N 0 3 216.288 2.272 10 0 BEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1ccccc1F ZINC000037764229 169502022 /nfs/dbraw/zinc/50/20/22/169502022.db2.gz MOPJJHFAOOWNFJ-SKDRFNHKSA-N 0 3 238.306 2.130 10 0 BEAEHN CCCc1ccc([C@@H](C)NCCC(N)=O)cc1 ZINC000036746937 169573328 /nfs/dbraw/zinc/57/33/28/169573328.db2.gz FIIZCJDOWXJDRI-LLVKDONJSA-N 0 3 234.343 2.165 10 0 BEAEHN CC(C)(C)Oc1ncc(CN)cc1Cl ZINC000051527138 166687410 /nfs/dbraw/zinc/68/74/10/166687410.db2.gz SCUARFXQJUMBFS-UHFFFAOYSA-N 0 3 214.696 2.371 10 0 BEAEHN COC1(CN2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000336419621 383837112 /nfs/dbraw/zinc/83/71/12/383837112.db2.gz YBVTUAVIIPNWTJ-RYUDHWBXSA-N 0 3 227.348 2.055 10 0 BEAEHN CN(C)C[C@]1(F)CCN(Cc2ccccc2)C1 ZINC000575622613 383877986 /nfs/dbraw/zinc/87/79/86/383877986.db2.gz XSUCJUFRUZLKAZ-CQSZACIVSA-N 0 3 236.334 2.162 10 0 BEAEHN CCOc1cc(C[NH3+])cc(Br)c1[O-] ZINC000050273167 383988353 /nfs/dbraw/zinc/98/83/53/383988353.db2.gz VQKBBYXRWOXFNA-UHFFFAOYSA-N 0 3 246.104 2.012 10 0 BEAEHN CN(C)CCOc1cccc2cc[nH]c21 ZINC000089209371 383946049 /nfs/dbraw/zinc/94/60/49/383946049.db2.gz BSPKOYKPBJJEMA-UHFFFAOYSA-N 0 3 204.273 2.108 10 0 BEAEHN C[C@H](Cc1cccs1)NCc1cncnc1 ZINC000054767481 383957121 /nfs/dbraw/zinc/95/71/21/383957121.db2.gz MLWLZGKEVSKRCR-SNVBAGLBSA-N 0 3 233.340 2.259 10 0 BEAEHN NCc1cc(Br)cc(F)c1F ZINC000002539992 383974027 /nfs/dbraw/zinc/97/40/27/383974027.db2.gz MXMVBKWCJOEYTR-UHFFFAOYSA-N 0 3 222.032 2.186 10 0 BEAEHN C(CN1CCCCC1)c1[nH]nc2c1CCCCN2 ZINC000003698253 384022926 /nfs/dbraw/zinc/02/29/26/384022926.db2.gz MHPRABLGGLJHJP-UHFFFAOYSA-N 0 3 248.374 2.186 10 0 BEAEHN NCc1ccc(C(=O)c2ccco2)s1 ZINC000090397612 384044475 /nfs/dbraw/zinc/04/44/75/384044475.db2.gz AHVHODLTLNNKRP-UHFFFAOYSA-N 0 3 207.254 2.031 10 0 BEAEHN CC(C)Cc1ccc([C@@H](C)N[C@H](C)C(N)=O)cc1 ZINC000038386214 384089314 /nfs/dbraw/zinc/08/93/14/384089314.db2.gz UUZNJWGRKGDDDT-VXGBXAGGSA-N 0 3 248.370 2.410 10 0 BEAEHN COC(=O)c1coc([C@H](C)N[C@H]2C[C@H]2C)c1 ZINC000278683510 384105369 /nfs/dbraw/zinc/10/53/69/384105369.db2.gz JZXRRDNIZLODST-WEDXCCLWSA-N 0 3 223.272 2.125 10 0 BEAEHN COC(=O)c1coc([C@H](C)N[C@@H]2C[C@H]2C)c1 ZINC000278683505 384106893 /nfs/dbraw/zinc/10/68/93/384106893.db2.gz JZXRRDNIZLODST-KHQFGBGNSA-N 0 3 223.272 2.125 10 0 BEAEHN c1csc(C2CCN([C@@H]3CCOC3)CC2)n1 ZINC000336553065 384115324 /nfs/dbraw/zinc/11/53/24/384115324.db2.gz YCOJTGBIXLNXIT-LLVKDONJSA-N 0 3 238.356 2.111 10 0 BEAEHN NCc1cncc(-c2cc(F)ccc2F)c1 ZINC000091351606 384120419 /nfs/dbraw/zinc/12/04/19/384120419.db2.gz MFEGFGGTBNYJMQ-UHFFFAOYSA-N 0 3 220.222 2.486 10 0 BEAEHN CC(C)[C@]1(NCc2ccccc2)CCCNC1=O ZINC000071973774 384190990 /nfs/dbraw/zinc/19/09/90/384190990.db2.gz PZYJFMSZSNSGGE-OAHLLOKOSA-N 0 3 246.354 2.081 10 0 BEAEHN CN(C[C@H]1OCCc2ccccc21)CC(C)(C)O ZINC000118224169 384195220 /nfs/dbraw/zinc/19/52/20/384195220.db2.gz QFMLXROKIICHIT-CQSZACIVSA-N 0 3 249.354 2.003 10 0 BEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000282284923 384211398 /nfs/dbraw/zinc/21/13/98/384211398.db2.gz LHEHZHRJYLFHIC-IQJOONFLSA-N 0 3 238.356 2.066 10 0 BEAEHN CN(C)CCNCc1ccc(Cl)c(F)c1 ZINC000043388164 384270051 /nfs/dbraw/zinc/27/00/51/384270051.db2.gz YASWDDNCYHBGER-UHFFFAOYSA-N 0 3 230.714 2.130 10 0 BEAEHN C[C@H](N[C@@H]1COc2ccccc21)[C@@H]1CCOC1 ZINC000119734763 384298292 /nfs/dbraw/zinc/29/82/92/384298292.db2.gz DVELRUXAPYETNV-DMDPSCGWSA-N 0 3 233.311 2.135 10 0 BEAEHN Cc1ccsc1[C@H](CCO)NC1CC1 ZINC000095089754 384360173 /nfs/dbraw/zinc/36/01/73/384360173.db2.gz QTGAMOXBZHYIMP-JTQLQIEISA-N 0 3 211.330 2.232 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cc(C)nn1C ZINC000300394461 384369613 /nfs/dbraw/zinc/36/96/13/384369613.db2.gz YYIBAJOFTDAOTC-PWSUYJOCSA-N 0 3 207.321 2.007 10 0 BEAEHN NCc1nc(Cl)ccc1C(F)(F)F ZINC000095763673 384395199 /nfs/dbraw/zinc/39/51/99/384395199.db2.gz XKDOBOYVKJZVBM-UHFFFAOYSA-N 0 3 210.586 2.213 10 0 BEAEHN Cn1nc(CNC(C)(C)C)c(-c2ccccc2)n1 ZINC000045944724 384413916 /nfs/dbraw/zinc/41/39/16/384413916.db2.gz MPRCQGMEWNOHHS-UHFFFAOYSA-N 0 3 244.342 2.370 10 0 BEAEHN CC[C@@H](N)c1cccc(Br)n1 ZINC000095671584 384387837 /nfs/dbraw/zinc/38/78/37/384387837.db2.gz YIGYLEOPRNZMCB-ZCFIWIBFSA-N 0 3 215.094 2.254 10 0 BEAEHN CC[C@H]1CNCCN1c1nc2ccccc2o1 ZINC000096300906 384453588 /nfs/dbraw/zinc/45/35/88/384453588.db2.gz JWYNOPKTWSEZLT-JTQLQIEISA-N 0 3 231.299 2.016 10 0 BEAEHN Cc1cc(C(=O)[C@H]2CCCN2)ccc1F ZINC000011630664 384508098 /nfs/dbraw/zinc/50/80/98/384508098.db2.gz AGECOYPWOGLZNW-LLVKDONJSA-N 0 3 207.248 2.069 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000052395602 384536094 /nfs/dbraw/zinc/53/60/94/384536094.db2.gz IOTDUGBQEGLERQ-MRVPVSSYSA-N 0 3 226.707 2.195 10 0 BEAEHN Clc1cnccc1CNCC[C@@H]1CCCO1 ZINC000084084839 384570838 /nfs/dbraw/zinc/57/08/38/384570838.db2.gz AFWRDEXOPIGRHW-NSHDSACASA-N 0 3 240.734 2.394 10 0 BEAEHN C[C@@H](NCC1CC(O)C1)c1ccccc1F ZINC000084446477 384619725 /nfs/dbraw/zinc/61/97/25/384619725.db2.gz JEFZEOINMMJVJX-KPPDAEKUSA-N 0 3 223.291 2.247 10 0 BEAEHN C[C@@H](N[C@H]1CC[C@H](O)CC1)c1ccccn1 ZINC000100248189 384627987 /nfs/dbraw/zinc/62/79/87/384627987.db2.gz RXKDTWWGWWWTCN-UTUOFQBUSA-N 0 3 220.316 2.036 10 0 BEAEHN C[C@H]1CN(CCOC(C)(C)C)CCS1 ZINC000171687132 384628130 /nfs/dbraw/zinc/62/81/30/384628130.db2.gz JBWAZLLQLBYXGU-JTQLQIEISA-N 0 3 217.378 2.239 10 0 BEAEHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)NC2CC2)c1 ZINC000160223771 384665234 /nfs/dbraw/zinc/66/52/34/384665234.db2.gz ZAYSTHHSEFVCPR-NEPJUHHUSA-N 0 3 246.354 2.313 10 0 BEAEHN CCc1cccc2c(C(=O)CNC)c[nH]c21 ZINC000082369660 384674378 /nfs/dbraw/zinc/67/43/78/384674378.db2.gz BUXYIDANMRPBGE-UHFFFAOYSA-N 0 3 216.284 2.132 10 0 BEAEHN C[C@@H]1Oc2c(cc(F)cc2Cl)[C@@H]1N ZINC000043635493 384725573 /nfs/dbraw/zinc/72/55/73/384725573.db2.gz HHIWXEYYJQJZBP-RNHFCUEFSA-N 0 3 201.628 2.260 10 0 BEAEHN Cc1nc([C@@H]2CCSC2)sc1CN ZINC000258925264 384694997 /nfs/dbraw/zinc/69/49/97/384694997.db2.gz QBFBDWFUIAXQSC-SSDOTTSWSA-N 0 3 214.359 2.131 10 0 BEAEHN CCC[C@H](C)CN1CCC[C@@H]1C(=O)OCC ZINC000051323750 384704051 /nfs/dbraw/zinc/70/40/51/384704051.db2.gz WVULPWVQXHINAZ-NWDGAFQWSA-N 0 3 227.348 2.450 10 0 BEAEHN C[C@H]1Oc2c(cc(Br)cc2F)[C@H]1N ZINC000043634300 384717027 /nfs/dbraw/zinc/71/70/27/384717027.db2.gz CJFMUEWOSUPUCM-VHWMUFPASA-N 0 3 246.079 2.369 10 0 BEAEHN C[C@@H]1Oc2c(cccc2Br)[C@H]1N ZINC000043634676 384718630 /nfs/dbraw/zinc/71/86/30/384718630.db2.gz HLPWSUNIMSZLKN-XNCJUZBTSA-N 0 3 228.089 2.230 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cccc2c1OCCCO2 ZINC000052273114 384727909 /nfs/dbraw/zinc/72/79/09/384727909.db2.gz GKVAQVAGGZXXBM-ZYHUDNBSSA-N 0 3 233.311 2.346 10 0 BEAEHN CCC[C@@H]1CCC[C@@H]1NCc1ccn(C)n1 ZINC000310038296 384807413 /nfs/dbraw/zinc/80/74/13/384807413.db2.gz VYKLFGNBUGJACF-YPMHNXCESA-N 0 3 221.348 2.479 10 0 BEAEHN COC(=O)c1coc(CNCCC(C)C)c1 ZINC000126909479 384841797 /nfs/dbraw/zinc/84/17/97/384841797.db2.gz PACVMKZYNXTNEN-UHFFFAOYSA-N 0 3 225.288 2.202 10 0 BEAEHN C[C@@H]1[C@H](NC2COC2)C[C@H]1c1ccccc1 ZINC000376862588 384934548 /nfs/dbraw/zinc/93/45/48/384934548.db2.gz YHVUAORSDLVZST-ZLKJLUDKSA-N 0 3 217.312 2.167 10 0 BEAEHN CCc1ccc([C@H](C)NCC[C@@H](C)O)o1 ZINC000119090792 384968319 /nfs/dbraw/zinc/96/83/19/384968319.db2.gz MJDLNEFDPOAGNS-ZJUUUORDSA-N 0 3 211.305 2.264 10 0 BEAEHN CN(Cc1ccc2c[nH]nc2c1)C[C@H]1CCCO1 ZINC000128009424 384980594 /nfs/dbraw/zinc/98/05/94/384980594.db2.gz FNKHHUARPHRMKN-CYBMUJFWSA-N 0 3 245.326 2.174 10 0 BEAEHN Cc1cc(C(C)C)nc(N2C[C@@H](C)NC[C@@H]2C)n1 ZINC000156889832 384995396 /nfs/dbraw/zinc/99/53/96/384995396.db2.gz RCPMUFIOIHECJY-NEPJUHHUSA-N 0 3 248.374 2.095 10 0 BEAEHN Cc1cc(CN[C@@H](C)[C@H]2CCCO2)sn1 ZINC000404460017 385002010 /nfs/dbraw/zinc/00/20/10/385002010.db2.gz NVEMVUVAMIJHEJ-GXSJLCMTSA-N 0 3 226.345 2.109 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1nccs1 ZINC000129220034 385122404 /nfs/dbraw/zinc/12/24/04/385122404.db2.gz IZSUFPGBTZPSGB-AXFHLTTASA-N 0 3 240.372 2.345 10 0 BEAEHN CC[C@H](N[C@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676856 385128385 /nfs/dbraw/zinc/12/83/85/385128385.db2.gz FZLAJAZMEOGKMC-KCJUWKMLSA-N 0 3 240.734 2.255 10 0 BEAEHN CCSCCN[C@@H]1COc2ccccc21 ZINC000128969477 385094653 /nfs/dbraw/zinc/09/46/53/385094653.db2.gz HCYRTHIALLWZDY-LLVKDONJSA-N 0 3 223.341 2.463 10 0 BEAEHN CSCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000157798138 385282855 /nfs/dbraw/zinc/28/28/55/385282855.db2.gz YWHGKLPVQQPMAZ-RYUDHWBXSA-N 0 3 229.389 2.383 10 0 BEAEHN C[C@](F)(CN)c1occc1Br ZINC000156450117 385285078 /nfs/dbraw/zinc/28/50/78/385285078.db2.gz LANHHVLGLJMZMT-ZETCQYMHSA-N 0 3 222.057 2.186 10 0 BEAEHN CN[C@@H](C)c1cnc(N2CCCC2)s1 ZINC000054899997 385293818 /nfs/dbraw/zinc/29/38/18/385293818.db2.gz IKHOPKLGCVPZRS-QMMMGPOBSA-N 0 3 211.334 2.024 10 0 BEAEHN O=C1OCC[C@H]1CCN1CCC[C@@H]1c1ccco1 ZINC000120629744 385345242 /nfs/dbraw/zinc/34/52/42/385345242.db2.gz RUXWAEPQWFTMFY-VXGBXAGGSA-N 0 3 249.310 2.370 10 0 BEAEHN CN(C)Nc1cc(Cl)nc(C(C)(C)C)n1 ZINC000149616085 385353516 /nfs/dbraw/zinc/35/35/16/385353516.db2.gz DFIRSMFNKHQFKM-UHFFFAOYSA-N 0 3 228.727 2.316 10 0 BEAEHN C[C@@H](CN(CC(N)=O)C(C)(C)C)c1ccccc1 ZINC000131337025 385326728 /nfs/dbraw/zinc/32/67/28/385326728.db2.gz JNGBHAZEWZRGRU-LBPRGKRZSA-N 0 3 248.370 2.376 10 0 BEAEHN N[C@@H](c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000062775760 385415435 /nfs/dbraw/zinc/41/54/35/385415435.db2.gz OWSADGTXTKDODN-SNVBAGLBSA-N 0 3 207.664 2.111 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000644089407 385440592 /nfs/dbraw/zinc/44/05/92/385440592.db2.gz LIAYEPXIISIBQN-AAEUAGOBSA-N 0 3 246.354 2.170 10 0 BEAEHN COc1ccccc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037164434 385597000 /nfs/dbraw/zinc/59/70/00/385597000.db2.gz BMUIEJDPPHFNOQ-CHWSQXEVSA-N 0 3 235.327 2.088 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000037164328 385597365 /nfs/dbraw/zinc/59/73/65/385597365.db2.gz PLQDWJFDJVJENU-VXGBXAGGSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000037164548 385597463 /nfs/dbraw/zinc/59/74/63/385597463.db2.gz FZAABRAAHNYLIW-GHMZBOCLSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000037164325 385597882 /nfs/dbraw/zinc/59/78/82/385597882.db2.gz PLQDWJFDJVJENU-RYUDHWBXSA-N 0 3 241.281 2.358 10 0 BEAEHN NC[C@H](c1ccc(Cl)s1)N1CCCC1 ZINC000036906788 385589618 /nfs/dbraw/zinc/58/96/18/385589618.db2.gz APWFHIAUSLIRSB-MRVPVSSYSA-N 0 3 230.764 2.497 10 0 BEAEHN CC[C@H](NCc1nncn1CC)C(C)(C)C ZINC000336734348 385666396 /nfs/dbraw/zinc/66/63/96/385666396.db2.gz KVRJGXOLZYWUHS-JTQLQIEISA-N 0 3 224.352 2.212 10 0 BEAEHN Cn1ccc(CN[C@H]2CCC[C@@H]2CCF)n1 ZINC000309553254 385685877 /nfs/dbraw/zinc/68/58/77/385685877.db2.gz GRTTYHQXFWPVOD-PWSUYJOCSA-N 0 3 225.311 2.038 10 0 BEAEHN Cn1ccnc1CN[C@H]1CCC[C@@H]1CCF ZINC000336688105 385708250 /nfs/dbraw/zinc/70/82/50/385708250.db2.gz JMTSPTDQRVWQKI-MNOVXSKESA-N 0 3 225.311 2.038 10 0 BEAEHN Cn1ccnc1CN[C@H]1CCC[C@H]1CCF ZINC000336688107 385708431 /nfs/dbraw/zinc/70/84/31/385708431.db2.gz JMTSPTDQRVWQKI-QWRGUYRKSA-N 0 3 225.311 2.038 10 0 BEAEHN CCc1ccc(CN[C@H]2CCCC[C@@H]2CO)o1 ZINC000230197250 385716317 /nfs/dbraw/zinc/71/63/17/385716317.db2.gz JRQILWXUUHRMCA-RISCZKNCSA-N 0 3 237.343 2.483 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000052395687 385732027 /nfs/dbraw/zinc/73/20/27/385732027.db2.gz BALNFLLNRJMQGH-RKDXNWHRSA-N 0 3 240.734 2.125 10 0 BEAEHN CC(C)N1CCCCC[C@H]1c1cnno1 ZINC000616621286 385747478 /nfs/dbraw/zinc/74/74/78/385747478.db2.gz MODAZMICICQJSL-JTQLQIEISA-N 0 3 209.293 2.395 10 0 BEAEHN NCc1cnc(OC2CCC2)c(Cl)c1 ZINC000051521770 385840750 /nfs/dbraw/zinc/84/07/50/385840750.db2.gz UPNAKXMFPHGZBV-UHFFFAOYSA-N 0 3 212.680 2.125 10 0 BEAEHN CCC[C@@H](N)C(=O)N(CCC)CC(C)C ZINC000309011550 385937570 /nfs/dbraw/zinc/93/75/70/385937570.db2.gz PEFFVWFTKBIMNH-LLVKDONJSA-N 0 3 214.353 2.008 10 0 BEAEHN CN[C@H]1COc2c1c(C)ccc2Br ZINC000575543249 385956406 /nfs/dbraw/zinc/95/64/06/385956406.db2.gz VSCJOVNPBNGFNE-QMMMGPOBSA-N 0 3 242.116 2.410 10 0 BEAEHN COC1CC(N)(c2ccc(Cl)s2)C1 ZINC000575561909 386025682 /nfs/dbraw/zinc/02/56/82/386025682.db2.gz VMKOYQPLTGOOKV-UHFFFAOYSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@](N)(CO)c1cc(Cl)ccc1Cl ZINC000038124568 386123635 /nfs/dbraw/zinc/12/36/35/386123635.db2.gz OOULGQNIGGEKQD-VIFPVBQESA-N 0 3 220.099 2.160 10 0 BEAEHN Cc1cc([C@]2(N)CS[C@H](C)C2)sn1 ZINC000575572822 386156488 /nfs/dbraw/zinc/15/64/88/386156488.db2.gz QOMMISYIFJATOD-VXNVDRBHSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@@H]1CC[C@](N)(c2cscn2)CS1 ZINC000575573671 386160126 /nfs/dbraw/zinc/16/01/26/386160126.db2.gz ZDIAEBLIUQPQCE-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN CCN[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000083616299 386129317 /nfs/dbraw/zinc/12/93/17/386129317.db2.gz MCNBDOXWTFDEJI-LLVKDONJSA-N 0 3 225.263 2.039 10 0 BEAEHN C[C@@H](NCc1ccccc1Cl)[C@H](C)CO ZINC000125764457 386311376 /nfs/dbraw/zinc/31/13/76/386311376.db2.gz GGVRADGHKUAEPL-NXEZZACHSA-N 0 3 227.735 2.447 10 0 BEAEHN Cn1ncc2c1CCC[C@H]2NC1CC(F)(F)C1 ZINC000277140842 386410247 /nfs/dbraw/zinc/41/02/47/386410247.db2.gz PGNKBRBGXOFULB-SNVBAGLBSA-N 0 3 241.285 2.185 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000519613921 386512308 /nfs/dbraw/zinc/51/23/08/386512308.db2.gz NLMSQBBXOWQJIH-FDYHWXHSSA-N 0 3 238.375 2.069 10 0 BEAEHN Cc1ccc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000414450566 386533286 /nfs/dbraw/zinc/53/32/86/386533286.db2.gz XYZCPRKMPIARKP-CLLJXQQHSA-N 0 3 249.358 2.078 10 0 BEAEHN CCC[C@H](C(=O)N(CCC)CCC)N(C)C ZINC000179332867 386637566 /nfs/dbraw/zinc/63/75/66/386637566.db2.gz VHZDITLWNMFURF-GFCCVEGCSA-N 0 3 228.380 2.365 10 0 BEAEHN C[C@H](N[C@H]1COc2ccccc21)[C@H]1CCOC1 ZINC000246891275 386685769 /nfs/dbraw/zinc/68/57/69/386685769.db2.gz DVELRUXAPYETNV-GVXVVHGQSA-N 0 3 233.311 2.135 10 0 BEAEHN c1n[nH]cc1[C@H]1CCCCN1C[C@@H]1CCCO1 ZINC000114484091 386784302 /nfs/dbraw/zinc/78/43/02/386784302.db2.gz MIPMHIUCNIFMTH-QWHCGFSZSA-N 0 3 235.331 2.116 10 0 BEAEHN C[C@@H]1SCCC[C@]1(N)c1ccns1 ZINC000575453041 386813964 /nfs/dbraw/zinc/81/39/64/386813964.db2.gz DLSIZOFJAMYNHF-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1ccncc1[C@@H](C)N[C@@H]1CCO[C@@H]1C ZINC000293358575 386826826 /nfs/dbraw/zinc/82/68/26/386826826.db2.gz HHWVNNGGIKAKMJ-NQBHXWOUSA-N 0 3 220.316 2.218 10 0 BEAEHN O[C@@H]1CC[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000398695626 386952551 /nfs/dbraw/zinc/95/25/51/386952551.db2.gz DKNKAZTUBTVRGE-GZBFAFLISA-N 0 3 249.329 2.419 10 0 BEAEHN Cc1ncc([C@H](N)[C@@]2(C)C[C@H]2F)s1 ZINC000575466694 387060837 /nfs/dbraw/zinc/06/08/37/387060837.db2.gz PWNLPTIZNDHVCB-VGMNWLOBSA-N 0 3 200.282 2.199 10 0 BEAEHN CC[C@H]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000117342857 387016675 /nfs/dbraw/zinc/01/66/75/387016675.db2.gz DDOKLDXIMQMXQS-LBPRGKRZSA-N 0 3 240.391 2.413 10 0 BEAEHN COc1ccc(OC)c([C@H](N)CC(F)F)c1 ZINC000575437464 387107651 /nfs/dbraw/zinc/10/76/51/387107651.db2.gz GGUAZWXNEROOEY-SECBINFHSA-N 0 3 231.242 2.359 10 0 BEAEHN [NH3+][C@H](CC(F)F)c1ccc([O-])c(F)c1 ZINC000575437635 387109551 /nfs/dbraw/zinc/10/95/51/387109551.db2.gz LAGWQVDQFJTPFK-SSDOTTSWSA-N 0 3 205.179 2.186 10 0 BEAEHN COc1ccc([C@@H](N)CCF)c(OC)c1 ZINC000575440144 387127454 /nfs/dbraw/zinc/12/74/54/387127454.db2.gz KIRIGUAZMDWKDV-JTQLQIEISA-N 0 3 213.252 2.063 10 0 BEAEHN C[C@@H]1C[C@H](c2ccccc2)C[C@H](O)N1C ZINC000536949855 387160894 /nfs/dbraw/zinc/16/08/94/387160894.db2.gz GMAAEVUSVBNALE-WXHSDQCUSA-N 0 3 205.301 2.203 10 0 BEAEHN C[C@@H]1OCC[C@H]1N[C@H]1CCOc2ccccc21 ZINC000252688311 387237174 /nfs/dbraw/zinc/23/71/74/387237174.db2.gz NYPGCBXIOMBYGQ-UHTWSYAYSA-N 0 3 233.311 2.277 10 0 BEAEHN CCC[C@H](N)C(=O)NCCCC(C)(C)C ZINC000161592713 387247815 /nfs/dbraw/zinc/24/78/15/387247815.db2.gz MJQGFMYPIJEDPP-JTQLQIEISA-N 0 3 214.353 2.056 10 0 BEAEHN CCC[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000121475858 387354315 /nfs/dbraw/zinc/35/43/15/387354315.db2.gz KEHQKGMMKQEZHP-UWVGGRQHSA-N 0 3 239.281 2.422 10 0 BEAEHN Cc1c(F)c(Br)ccc1C(=N)NO ZINC000575508325 387378507 /nfs/dbraw/zinc/37/85/07/387378507.db2.gz PPNJKXZOHUVOMR-UHFFFAOYSA-N 0 3 247.067 2.201 10 0 BEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CCCF ZINC000303392613 387350085 /nfs/dbraw/zinc/35/00/85/387350085.db2.gz DBHKGKZOQHKXMZ-STQMWFEESA-N 0 3 228.355 2.295 10 0 BEAEHN CC[C@H]1CCc2nc(CNC)sc2C1 ZINC000053294104 387429627 /nfs/dbraw/zinc/42/96/27/387429627.db2.gz PRTVVJXXIWKMBF-QMMMGPOBSA-N 0 3 210.346 2.377 10 0 BEAEHN C[C@@H]1CS[C@@]2(CCCSCC2)N1 ZINC000575518009 387433426 /nfs/dbraw/zinc/43/34/26/387433426.db2.gz JAZWLXJGWSFRCI-RKDXNWHRSA-N 0 3 203.376 2.325 10 0 BEAEHN N[C@H](c1cncs1)[C@H]1CCCS1 ZINC000575514537 387390138 /nfs/dbraw/zinc/39/01/38/387390138.db2.gz KRPBRWAMRFAEOC-SVRRBLITSA-N 0 3 200.332 2.039 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000083502062 387412642 /nfs/dbraw/zinc/41/26/42/387412642.db2.gz YAUGVNJVVFTFKF-LLVKDONJSA-N 0 3 244.379 2.487 10 0 BEAEHN CC(C)(C)CCN1CCN(CCCF)CC1 ZINC000121809406 387418755 /nfs/dbraw/zinc/41/87/55/387418755.db2.gz MDDOAULDUSOQID-UHFFFAOYSA-N 0 3 230.371 2.400 10 0 BEAEHN CN[C@@H]1COc2c1c(C)ccc2Br ZINC000575543248 387591831 /nfs/dbraw/zinc/59/18/31/387591831.db2.gz VSCJOVNPBNGFNE-MRVPVSSYSA-N 0 3 242.116 2.410 10 0 BEAEHN Cc1cc(C)n2c(CN(C)CC3CC3)cnc2n1 ZINC000122918062 387616631 /nfs/dbraw/zinc/61/66/31/387616631.db2.gz IPCDNAYLYJHBFP-UHFFFAOYSA-N 0 3 244.342 2.188 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cc(C(N)=O)cs1 ZINC000124536073 387620051 /nfs/dbraw/zinc/62/00/51/387620051.db2.gz KMHYOVZPJHRSBB-GZMMTYOYSA-N 0 3 238.356 2.125 10 0 BEAEHN C[C@H]1Oc2c(ccc(F)c2Br)[C@H]1N ZINC000575547396 387640003 /nfs/dbraw/zinc/64/00/03/387640003.db2.gz ZFLLGBLNEBTUDJ-VHWMUFPASA-N 0 3 246.079 2.369 10 0 BEAEHN NC1(c2cc(F)ccc2Cl)CSC1 ZINC000575550391 387643426 /nfs/dbraw/zinc/64/34/26/387643426.db2.gz UFBJYMHSAQEIHR-UHFFFAOYSA-N 0 3 217.696 2.380 10 0 BEAEHN Cc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)o1 ZINC000128404362 387744103 /nfs/dbraw/zinc/74/41/03/387744103.db2.gz JJMVSTBDYXZBBQ-LBPRGKRZSA-N 0 3 245.326 2.311 10 0 BEAEHN C[C@H]1CC[C@](N)(c2cncs2)CS1 ZINC000575571852 387745912 /nfs/dbraw/zinc/74/59/12/387745912.db2.gz PJDQOHYYRHKXJM-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1OCC[C@@]1(N)c1ccc(Cl)s1 ZINC000575560692 387697784 /nfs/dbraw/zinc/69/77/84/387697784.db2.gz LKZHTBPBOVNCGZ-RCOVLWMOSA-N 0 3 217.721 2.364 10 0 BEAEHN Cc1cc([C@]2(N)CCS[C@@H]2C)sn1 ZINC000575560188 387701729 /nfs/dbraw/zinc/70/17/29/387701729.db2.gz JDENQBIJCXTZSA-APPZFPTMSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@H]1CC[C@@](N)(c2ccns2)CS1 ZINC000575567812 387736684 /nfs/dbraw/zinc/73/66/84/387736684.db2.gz AGLAWHSYLLZHLI-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1CC[C@](N)(c2ccns2)CS1 ZINC000575567817 387736740 /nfs/dbraw/zinc/73/67/40/387736740.db2.gz AGLAWHSYLLZHLI-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1COC[C@]1(N)c1ccc(Cl)s1 ZINC000575570542 387739096 /nfs/dbraw/zinc/73/90/96/387739096.db2.gz KOAFXEJPUSMCRN-HZGVNTEJSA-N 0 3 217.721 2.222 10 0 BEAEHN CCc1ccc([C@H](C)N[C@@H]2CCCNC2=O)cc1 ZINC000050393725 387793805 /nfs/dbraw/zinc/79/38/05/387793805.db2.gz IUWSHCKIAABVDD-SMDDNHRTSA-N 0 3 246.354 2.178 10 0 BEAEHN C[C@H](NCc1nccn1C)C1CCCCC1 ZINC000052334150 387804223 /nfs/dbraw/zinc/80/42/23/387804223.db2.gz XKWHNGNNOKMKIC-NSHDSACASA-N 0 3 221.348 2.479 10 0 BEAEHN C[C@H]1CC[C@](N)(c2ccsn2)CS1 ZINC000575573658 387758038 /nfs/dbraw/zinc/75/80/38/387758038.db2.gz ZAKFPCHRQFPLBQ-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1ncc(CN2CCC[C@@H]2CCCO)s1 ZINC000062337299 387853710 /nfs/dbraw/zinc/85/37/10/387853710.db2.gz PYWKIBSICADPAH-LLVKDONJSA-N 0 3 240.372 2.188 10 0 BEAEHN Cc1csc(C2CCN(C[C@H](C)O)CC2)n1 ZINC000194951403 387900994 /nfs/dbraw/zinc/90/09/94/387900994.db2.gz XTUMKSIEPACPPP-JTQLQIEISA-N 0 3 240.372 2.012 10 0 BEAEHN N[C@@H](Cc1cccs1)c1ccccn1 ZINC000053816991 387915551 /nfs/dbraw/zinc/91/55/51/387915551.db2.gz UWALIAKJLWFZHV-JTQLQIEISA-N 0 3 204.298 2.386 10 0 BEAEHN Cc1cccc(CN2CCC[C@@H]2CCCO)n1 ZINC000080961113 388003540 /nfs/dbraw/zinc/00/35/40/388003540.db2.gz PNHMCLINPPMJOT-CQSZACIVSA-N 0 3 234.343 2.127 10 0 BEAEHN c1ncn([C@H]2CCCN([C@@H]3C=CCCC3)C2)n1 ZINC000246282172 388027924 /nfs/dbraw/zinc/02/79/24/388027924.db2.gz SQOSOKJVZSZJFB-OLZOCXBDSA-N 0 3 232.331 2.024 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccnc1 ZINC000083704992 388060601 /nfs/dbraw/zinc/06/06/01/388060601.db2.gz JHEBYCNPQKMHEU-UKRRQHHQSA-N 0 3 245.370 2.140 10 0 BEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1CC(F)(F)F ZINC000086930607 388111635 /nfs/dbraw/zinc/11/16/35/388111635.db2.gz HDMQXWFULGEORO-NXEZZACHSA-N 0 3 236.281 2.107 10 0 BEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CC1CC1 ZINC000086929426 388111644 /nfs/dbraw/zinc/11/16/44/388111644.db2.gz CMPTWQXDHNFCLT-UONOGXRCSA-N 0 3 222.376 2.345 10 0 BEAEHN C[C@@H](NC[C@@H](O)C(C)(C)C)c1cncs1 ZINC000164043858 388138537 /nfs/dbraw/zinc/13/85/37/388138537.db2.gz IZCZVNFQYXZTBH-PSASIEDQSA-N 0 3 228.361 2.201 10 0 BEAEHN CC(C)n1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000646089166 388139800 /nfs/dbraw/zinc/13/98/00/388139800.db2.gz JSRFPHVRDNUMKQ-CYZMBNFOSA-N 0 3 234.347 2.137 10 0 BEAEHN O=C(CN[C@@H]1CCC[C@H]2C[C@H]21)Nc1ccccc1 ZINC000646093287 388140869 /nfs/dbraw/zinc/14/08/69/388140869.db2.gz ZPKCXUXXTNFZGV-IACUBPJLSA-N 0 3 244.338 2.403 10 0 BEAEHN CCC[C@@H]1NCC[C@H](C)[S@](=O)[C@H]1CC ZINC000251201694 388254819 /nfs/dbraw/zinc/25/48/19/388254819.db2.gz VLLGXMHTKGLYGG-RMIALFOJSA-N 0 3 217.378 2.064 10 0 BEAEHN Cc1ccc(CN[C@@H](C)[C@@H]2CCCO2)nc1 ZINC000087782222 256573514 /nfs/dbraw/zinc/57/35/14/256573514.db2.gz CBXPNKHTSAGPLS-AAEUAGOBSA-N 0 3 220.316 2.047 10 0 BEAEHN C[C@@H]1[C@@H](O)CCCN1Cc1ccc(F)cc1 ZINC000295130103 388408821 /nfs/dbraw/zinc/40/88/21/388408821.db2.gz YINOMVVUPVXFKV-MFKMUULPSA-N 0 3 223.291 2.171 10 0 BEAEHN C[C@H]1CCC[C@H](NCc2ccn(C)n2)CC1 ZINC000124707136 388665795 /nfs/dbraw/zinc/66/57/95/388665795.db2.gz DCRQAWDEEQNBIU-RYUDHWBXSA-N 0 3 221.348 2.479 10 0 BEAEHN C[C@@H](NCCCn1ccnn1)c1ccccc1F ZINC000125625062 388673000 /nfs/dbraw/zinc/67/30/00/388673000.db2.gz QFCBGUNAKYNFRN-LLVKDONJSA-N 0 3 248.305 2.158 10 0 BEAEHN N[C@@H](CC(F)F)c1cccc2c1OCO2 ZINC000575437696 388621641 /nfs/dbraw/zinc/62/16/41/388621641.db2.gz OZXCIJXZDVFYSY-ZETCQYMHSA-N 0 3 215.199 2.070 10 0 BEAEHN CC1CCC(CN2CCCNC(=O)[C@H]2C)CC1 ZINC000189087816 388621767 /nfs/dbraw/zinc/62/17/67/388621767.db2.gz CZBSALLYHCBISN-OTTFEQOBSA-N 0 3 238.375 2.023 10 0 BEAEHN COc1ccc(F)c([C@H](N)CCF)c1F ZINC000575438170 388622829 /nfs/dbraw/zinc/62/28/29/388622829.db2.gz GLPWDAOQVWKRLX-SSDOTTSWSA-N 0 3 219.206 2.333 10 0 BEAEHN Cc1ccc(CNC[C@@H]2CCc3nccn3C2)o1 ZINC000328626510 388739473 /nfs/dbraw/zinc/73/94/73/388739473.db2.gz FDVYFNRCHALUMJ-LBPRGKRZSA-N 0 3 245.326 2.137 10 0 BEAEHN Cc1ccc(CNC[C@H]2CCc3nccn3C2)o1 ZINC000328626508 388739892 /nfs/dbraw/zinc/73/98/92/388739892.db2.gz FDVYFNRCHALUMJ-GFCCVEGCSA-N 0 3 245.326 2.137 10 0 BEAEHN CCN(C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000126250301 388692463 /nfs/dbraw/zinc/69/24/63/388692463.db2.gz REQCSMXLMKEMRE-JTQLQIEISA-N 0 3 235.327 2.470 10 0 BEAEHN CCC[C@H](C(=O)NCC1(CC)CCC1)N(C)C ZINC000152789381 388882101 /nfs/dbraw/zinc/88/21/01/388882101.db2.gz IYOHHQAFSMSPRK-GFCCVEGCSA-N 0 3 240.391 2.413 10 0 BEAEHN CCC1CCN(c2ccnc(CN)c2)CC1 ZINC000051398146 132360495 /nfs/dbraw/zinc/36/04/95/132360495.db2.gz XASVZHXOCZELQJ-UHFFFAOYSA-N 0 3 219.332 2.167 10 0 BEAEHN CCN[C@@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962930 132300469 /nfs/dbraw/zinc/30/04/69/132300469.db2.gz YZRSVNSURHIRAF-NSHDSACASA-N 0 3 248.374 2.446 10 0 BEAEHN CCCCOc1ccccc1N1CCNCC1 ZINC000025997855 132311981 /nfs/dbraw/zinc/31/19/81/132311981.db2.gz YNPHKRWUIFAKLL-UHFFFAOYSA-N 0 3 234.343 2.275 10 0 in-vivo BEAEHN CC(C)CCN1CCN(c2cccc(N)c2)CC1 ZINC000020265198 132330404 /nfs/dbraw/zinc/33/04/04/132330404.db2.gz PPCSVHGFSCWVJK-UHFFFAOYSA-N 0 3 247.386 2.437 10 0 BEAEHN NCc1c(Cl)cccc1N1CCSCC1 ZINC000020469779 132331668 /nfs/dbraw/zinc/33/16/68/132331668.db2.gz IPVYYOPMZTUGJQ-UHFFFAOYSA-N 0 3 242.775 2.352 10 0 BEAEHN C[C@@H]1C[C@@H](C)CN(c2ncccc2CN)C1 ZINC000022169119 132332490 /nfs/dbraw/zinc/33/24/90/132332490.db2.gz JTSAUHPRADRHPT-GHMZBOCLSA-N 0 3 219.332 2.023 10 0 BEAEHN C[C@H]1CNCCN1c1cccc(Cl)c1 ZINC000033606561 132336129 /nfs/dbraw/zinc/33/61/29/132336129.db2.gz KPPRCTGPPHBIJY-VIFPVBQESA-N 0 3 210.708 2.138 10 0 BEAEHN C[C@@H](N[C@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259673 132344292 /nfs/dbraw/zinc/34/42/92/132344292.db2.gz XIJKYBJRCUTBMO-MFKMUULPSA-N 0 3 244.338 2.482 10 0 BEAEHN Cc1ccc(CN)c(N2CCCC[C@H]2C)n1 ZINC000043395449 132352883 /nfs/dbraw/zinc/35/28/83/132352883.db2.gz QEODFXCZWBMAIT-LLVKDONJSA-N 0 3 219.332 2.228 10 0 BEAEHN C[C@@H]1[C@@H](C)CCCN1c1ncccc1CN ZINC000050562855 132359107 /nfs/dbraw/zinc/35/91/07/132359107.db2.gz AERQDUOJRDOIRT-WDEREUQCSA-N 0 3 219.332 2.165 10 0 BEAEHN CNCc1cnc(N2CCCCC2)c(Cl)c1 ZINC000051436149 132361095 /nfs/dbraw/zinc/36/10/95/132361095.db2.gz WENMOUQXLKOBHL-UHFFFAOYSA-N 0 3 239.750 2.445 10 0 BEAEHN Cc1ccc(CN)c(N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000051578569 132361317 /nfs/dbraw/zinc/36/13/17/132361317.db2.gz PGRRIKGUAGECNZ-VXGBXAGGSA-N 0 3 234.343 2.067 10 0 BEAEHN Cc1ccc(CN)c(N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000051578571 132361397 /nfs/dbraw/zinc/36/13/97/132361397.db2.gz PGRRIKGUAGECNZ-RYUDHWBXSA-N 0 3 234.343 2.067 10 0 BEAEHN C[C@H]1COCCN1c1cc(Cl)ccc1CN ZINC000062786802 132388752 /nfs/dbraw/zinc/38/87/52/132388752.db2.gz CMEJYXRHWLPVOB-VIFPVBQESA-N 0 3 240.734 2.024 10 0 BEAEHN FC1(F)CCC[C@H]1CN1CCc2n[nH]cc2C1 ZINC000336195194 134125877 /nfs/dbraw/zinc/12/58/77/134125877.db2.gz RNZSDBXPMYPRQL-JTQLQIEISA-N 0 3 241.285 2.203 10 0 BEAEHN FC1(F)CCC[C@@H]1CN1CCc2n[nH]cc2C1 ZINC000336195195 134125941 /nfs/dbraw/zinc/12/59/41/134125941.db2.gz RNZSDBXPMYPRQL-SNVBAGLBSA-N 0 3 241.285 2.203 10 0 BEAEHN CCC[C@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000177035833 134294148 /nfs/dbraw/zinc/29/41/48/134294148.db2.gz KMRGEGQVSRFYHO-STQMWFEESA-N 0 3 240.391 2.365 10 0 BEAEHN COC1CC(N[C@H](CN(C)C)c2ccccc2)C1 ZINC000220830551 134316028 /nfs/dbraw/zinc/31/60/28/134316028.db2.gz KPNDPOCINOLHIP-YMAMQOFZSA-N 0 3 248.370 2.056 10 0 BEAEHN CCc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000225377464 134355104 /nfs/dbraw/zinc/35/51/04/134355104.db2.gz ZWFUZXSYXHXZHY-CQSZACIVSA-N 0 3 246.354 2.007 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1ccon1 ZINC000251704300 135075046 /nfs/dbraw/zinc/07/50/46/135075046.db2.gz JDBBDSNCBMWHMA-KGLIPLIRSA-N 0 3 249.358 2.123 10 0 BEAEHN CC[C@@H]1CC[C@@H](N[C@H](C)c2nncn2C)C1 ZINC000251817382 135078244 /nfs/dbraw/zinc/07/82/44/135078244.db2.gz ZIKAKHDLBGITOO-GMTAPVOTSA-N 0 3 222.336 2.044 10 0 BEAEHN Cc1nccc(CN[C@H]2CC[C@H](C)CC2)n1 ZINC000253138425 135122374 /nfs/dbraw/zinc/12/23/74/135122374.db2.gz VHEOGFHQHZIXFI-UMSPYCQHSA-N 0 3 219.332 2.453 10 0 BEAEHN Cc1sc([C@@H](C)N)nc1C1CCOCC1 ZINC000259364636 135142880 /nfs/dbraw/zinc/14/28/80/135142880.db2.gz VAQALDZSLLMJNK-SSDOTTSWSA-N 0 3 226.345 2.365 10 0 BEAEHN CC[C@H]1CCC[C@H]1NCc1nnc(C)n1CC ZINC000348171731 136042797 /nfs/dbraw/zinc/04/27/97/136042797.db2.gz VQOHJZVOJILSRT-NWDGAFQWSA-N 0 3 236.363 2.275 10 0 BEAEHN CCOc1ccc(CN2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000295118450 397758424 /nfs/dbraw/zinc/75/84/24/397758424.db2.gz WZNLNGUIVHYVLL-SWLSCSKDSA-N 0 3 249.354 2.431 10 0 BEAEHN C[C@@H](O)CCNCc1cc(Cl)ccc1F ZINC000119230917 397882802 /nfs/dbraw/zinc/88/28/02/397882802.db2.gz SDPYQJGAWNBIJZ-MRVPVSSYSA-N 0 3 231.698 2.340 10 0 BEAEHN C[C@H]1CSC(N[C@@H]2CC23CCCC3)=N1 ZINC000306884126 397935554 /nfs/dbraw/zinc/93/55/54/397935554.db2.gz PZDUGKCBZDHOMZ-DTWKUNHWSA-N 0 3 210.346 2.400 10 0 BEAEHN Cc1ccc([C@@H](N)CC2OCCO2)c(F)c1F ZINC000231748173 397935678 /nfs/dbraw/zinc/93/56/78/397935678.db2.gz NABMHMAARVQUGC-VIFPVBQESA-N 0 3 243.253 2.036 10 0 BEAEHN CC[C@@](C)(N)c1ccc(Br)cn1 ZINC000306893911 397945265 /nfs/dbraw/zinc/94/52/65/397945265.db2.gz KISMXRMBYWMIPV-SECBINFHSA-N 0 3 229.121 2.428 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1c(C)n[nH]c1C ZINC000165024543 398001848 /nfs/dbraw/zinc/00/18/48/398001848.db2.gz PDEJLEZPKBFTBU-JQWIXIFHSA-N 0 3 207.321 2.305 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000054073907 398025298 /nfs/dbraw/zinc/02/52/98/398025298.db2.gz JBJCARXMODPCEF-ZCFIWIBFSA-N 0 3 230.670 2.026 10 0 BEAEHN CC[C@@H]1C[C@@]1(N)c1ccncc1Br ZINC000307316958 398077223 /nfs/dbraw/zinc/07/72/23/398077223.db2.gz OAKNSZLXFHPCRF-XCBNKYQSSA-N 0 3 241.132 2.428 10 0 BEAEHN CC(C)NCc1cccc(N2CCCC2)n1 ZINC000051399083 167118408 /nfs/dbraw/zinc/11/84/08/167118408.db2.gz QMCYURORWSUWAS-UHFFFAOYSA-N 0 3 219.332 2.180 10 0 BEAEHN CC(C)N[C@](C)(CO)c1ccc(F)cc1F ZINC000038115506 167141977 /nfs/dbraw/zinc/14/19/77/167141977.db2.gz SBNJBCTZZSLZFP-GFCCVEGCSA-N 0 3 229.270 2.170 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@H](C)C2CCC2)n1 ZINC000119644486 487559930 /nfs/dbraw/zinc/55/99/30/487559930.db2.gz IMSRAUCCAVLYDH-SNVBAGLBSA-N 0 3 220.316 2.374 10 0 BEAEHN C[C@@H]1C[C@@H](O)CN(Cc2ccc3c(c2)CCC3)C1 ZINC000401585444 533676885 /nfs/dbraw/zinc/67/68/85/533676885.db2.gz MQSUSITWOOHLEW-MLGOLLRUSA-N 0 3 245.366 2.378 10 0 BEAEHN Brc1cc2c(o1)CNCCC2 ZINC000082370067 166095891 /nfs/dbraw/zinc/09/58/91/166095891.db2.gz XCZRWLVZWFMFIZ-UHFFFAOYSA-N 0 3 216.078 2.078 10 0 BEAEHN Brc1cccc2c1CNCCC2 ZINC000082360160 166101267 /nfs/dbraw/zinc/10/12/67/166101267.db2.gz MOWSELWMYMXVBE-UHFFFAOYSA-N 0 3 226.117 2.485 10 0 BEAEHN Cc1ccc(Cn2cc(C(C)(C)N)nn2)cc1C ZINC000070117950 410664363 /nfs/dbraw/zinc/66/43/63/410664363.db2.gz GKCKFEHLLLIXKK-UHFFFAOYSA-N 0 3 244.342 2.137 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccccc1Cl ZINC000040853890 410894441 /nfs/dbraw/zinc/89/44/41/410894441.db2.gz MSRSRTCOUDKJEE-LDYMZIIASA-N 0 3 240.734 2.255 10 0 BEAEHN CC(C)CNCc1nc2ccccc2[nH]1 ZINC000048409105 167009690 /nfs/dbraw/zinc/00/96/90/167009690.db2.gz OKQOLVWYTPXODI-UHFFFAOYSA-N 0 3 203.289 2.309 10 0 BEAEHN CC(C)N1C[C@H](N[C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000152428948 167032923 /nfs/dbraw/zinc/03/29/23/167032923.db2.gz UDSRNGOPELWAJJ-YDHLFZDLSA-N 0 3 247.386 2.461 10 0 BEAEHN CC(C)N[C@@H](CO)c1ccccc1Cl ZINC000038115775 167132364 /nfs/dbraw/zinc/13/23/64/167132364.db2.gz QHKHWWNWFJZHMK-NSHDSACASA-N 0 3 213.708 2.371 10 0 BEAEHN CC(C)N[C@@](C)(CO)c1ccc(F)cc1 ZINC000038115443 167136519 /nfs/dbraw/zinc/13/65/19/167136519.db2.gz OIGNGYIQWJDTMN-LBPRGKRZSA-N 0 3 211.280 2.031 10 0 BEAEHN CC(C)N[C@H]1CC[S@](=O)c2ccccc21 ZINC000040973559 167142763 /nfs/dbraw/zinc/14/27/63/167142763.db2.gz NJXMGUSDMLLRST-XHDPSFHLSA-N 0 3 223.341 2.237 10 0 BEAEHN CC(C)N[C@H]1COc2c1ccc(F)c2F ZINC000062611325 167143035 /nfs/dbraw/zinc/14/30/35/167143035.db2.gz DWFYWWDKQFBWBH-VIFPVBQESA-N 0 3 213.227 2.396 10 0 BEAEHN CC(C)OCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000114483560 167230615 /nfs/dbraw/zinc/23/06/15/167230615.db2.gz PYYOOXRWCUTWQE-ZDUSSCGKSA-N 0 3 237.347 2.362 10 0 BEAEHN CC(C)OCCN[C@@H]1CCc2c1cccc2O ZINC000160043990 167243868 /nfs/dbraw/zinc/24/38/68/167243868.db2.gz LAMLIZCCLDPSCX-CYBMUJFWSA-N 0 3 235.327 2.394 10 0 BEAEHN CC(C)Oc1c(CN)cccc1OC1CC1 ZINC000095738087 167285271 /nfs/dbraw/zinc/28/52/71/167285271.db2.gz QOABXEQSKAXYOP-UHFFFAOYSA-N 0 3 221.300 2.474 10 0 BEAEHN CC(C)Oc1ccc(CN)c(OC2CC2)c1 ZINC000095737979 167292661 /nfs/dbraw/zinc/29/26/61/167292661.db2.gz BTMZPFOZGMBCJO-UHFFFAOYSA-N 0 3 221.300 2.474 10 0 BEAEHN CC(C)Oc1ccc([C@@H](N)Cn2ccnc2)cc1 ZINC000023068021 167298966 /nfs/dbraw/zinc/29/89/66/167298966.db2.gz LMOZWKJGTUMZMA-AWEZNQCLSA-N 0 3 245.326 2.370 10 0 BEAEHN CC(C)[C@@H](C)N(C)c1ncc(CN)s1 ZINC000054895924 167371785 /nfs/dbraw/zinc/37/17/85/167371785.db2.gz NAFPODUIFJIFMX-MRVPVSSYSA-N 0 3 213.350 2.083 10 0 BEAEHN CC(C)[C@@H](C)NCc1cnc([C@H](C)O)s1 ZINC000289313692 167383246 /nfs/dbraw/zinc/38/32/46/167383246.db2.gz SIKGPMIQVWKDIR-BDAKNGLRSA-N 0 3 228.361 2.331 10 0 BEAEHN CC(C)[C@@H](C)NCc1cn2c(n1)CCCC2 ZINC000309314325 167384098 /nfs/dbraw/zinc/38/40/98/167384098.db2.gz CQAVXTTXKCERDM-LLVKDONJSA-N 0 3 221.348 2.354 10 0 BEAEHN CC(C)n1ncnc1CN[C@@H](C)C1CCC1 ZINC000124026752 411194461 /nfs/dbraw/zinc/19/44/61/411194461.db2.gz DJGMCBIXCJQMEU-JTQLQIEISA-N 0 3 222.336 2.137 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NCCCC(C)(C)C ZINC000313456200 411229601 /nfs/dbraw/zinc/22/96/01/411229601.db2.gz DHSIXRCIZVQDNZ-WDEREUQCSA-N 0 3 228.380 2.302 10 0 BEAEHN Cc1cc([C@H](C)NC2CC(CO)C2)c(C)o1 ZINC000658355443 411298336 /nfs/dbraw/zinc/29/83/36/411298336.db2.gz HRDVKYQUULYHBM-GCVQQVDUSA-N 0 3 223.316 2.318 10 0 BEAEHN CCC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000660135010 411252506 /nfs/dbraw/zinc/25/25/06/411252506.db2.gz VHWWBDKCZDDZDU-MGPQQGTHSA-N 0 3 241.375 2.038 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1cc(F)cc(F)c1 ZINC000658350599 411352532 /nfs/dbraw/zinc/35/25/32/411352532.db2.gz GOKXOOGMPYGNKX-BGQFSCJGSA-N 0 3 241.281 2.386 10 0 BEAEHN OCC1CC(N[C@H]2CCCc3occc32)C1 ZINC000658351833 411353456 /nfs/dbraw/zinc/35/34/56/411353456.db2.gz ASNCGZASGXUIBV-CBINBANVSA-N 0 3 221.300 2.018 10 0 BEAEHN CC1(NC(=O)C2(N)CCCCC2)CCCC1 ZINC000042188034 168054436 /nfs/dbraw/zinc/05/44/36/168054436.db2.gz CWDLZIXTPFCGIA-UHFFFAOYSA-N 0 3 224.348 2.097 10 0 BEAEHN CC1(NCc2ccncn2)CCCCC1 ZINC000054789871 168064100 /nfs/dbraw/zinc/06/41/00/168064100.db2.gz UKEWGSYVQAYTIY-UHFFFAOYSA-N 0 3 205.305 2.289 10 0 BEAEHN CC1CCC(NC(=O)[C@@H]2CCC[C@@H](C)N2)CC1 ZINC000019506514 168161343 /nfs/dbraw/zinc/16/13/43/168161343.db2.gz HBGVDUCNWCTXBC-KPFVRQRISA-N 0 3 238.375 2.212 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000659359023 411401406 /nfs/dbraw/zinc/40/14/06/411401406.db2.gz VRCWVXWRRRTJEQ-LLVKDONJSA-N 0 3 240.391 2.269 10 0 BEAEHN CN1CCCOC[C@H]1c1ccc2ccnnc2c1 ZINC000616648270 411410917 /nfs/dbraw/zinc/41/09/17/411410917.db2.gz CYQVSYKJMXSFSH-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCO[C@H](c2cccc3ccnnc32)CC1 ZINC000616687256 411414957 /nfs/dbraw/zinc/41/49/57/411414957.db2.gz QLONRKMLCLTABT-ZDUSSCGKSA-N 0 3 243.310 2.023 10 0 BEAEHN CCN(c1cc(C)ccc1CN)[C@H](C)COC ZINC000051579791 169941193 /nfs/dbraw/zinc/94/11/93/169941193.db2.gz GUAGLZFEENQIFR-GFCCVEGCSA-N 0 3 236.359 2.315 10 0 BEAEHN Cc1c[nH]c(CNCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000657456643 411517719 /nfs/dbraw/zinc/51/77/19/411517719.db2.gz WCVBLGLGVOAEGA-QWRGUYRKSA-N 0 3 237.347 2.011 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc(C)s1 ZINC000083346377 170000062 /nfs/dbraw/zinc/00/00/62/170000062.db2.gz NFUYPHIFHFZGEQ-SNVBAGLBSA-N 0 3 210.346 2.023 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc(Cl)cc1 ZINC000071531934 170000368 /nfs/dbraw/zinc/00/03/68/170000368.db2.gz FZVXVQLEWBXOGI-LBPRGKRZSA-N 0 3 224.735 2.306 10 0 BEAEHN CCN1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000056894771 170000886 /nfs/dbraw/zinc/00/08/86/170000886.db2.gz ULOKDMONFNPDPB-GFCCVEGCSA-N 0 3 224.735 2.306 10 0 BEAEHN CCN1CC[C@@H](N[C@H](C)c2ccco2)C1 ZINC000328200512 170013945 /nfs/dbraw/zinc/01/39/45/170013945.db2.gz RUQXYLCEWICUMR-GHMZBOCLSA-N 0 3 208.305 2.024 10 0 BEAEHN CCN1CC[C@H](N[C@@H](C)c2ccsc2)C1 ZINC000328339210 170022703 /nfs/dbraw/zinc/02/27/03/170022703.db2.gz KIAZMQWXSLBHQD-JQWIXIFHSA-N 0 3 224.373 2.493 10 0 BEAEHN CCN1CCc2nc([C@](C)(N)CC)sc2C1 ZINC000041059529 170025822 /nfs/dbraw/zinc/02/58/22/170025822.db2.gz NYYBVURATATFMQ-GFCCVEGCSA-N 0 3 239.388 2.105 10 0 BEAEHN CCNC(=O)CCN[C@@H](C)c1ccccc1F ZINC000047848311 170052894 /nfs/dbraw/zinc/05/28/94/170052894.db2.gz ALTOUJYIBQSQOG-JTQLQIEISA-N 0 3 238.306 2.003 10 0 BEAEHN CCNC(=O)CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000036780361 170064560 /nfs/dbraw/zinc/06/45/60/170064560.db2.gz QGDFFYDTFSWFKV-LBPRGKRZSA-N 0 3 234.343 2.090 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1ccccc1C ZINC000061287959 170107791 /nfs/dbraw/zinc/10/77/91/170107791.db2.gz NFGDQIAKYTWGNJ-UHFFFAOYSA-N 0 3 220.316 2.322 10 0 BEAEHN CCNCc1c(Cl)nc2sccn12 ZINC000040538461 170124507 /nfs/dbraw/zinc/12/45/07/170124507.db2.gz XSJQNJDZPOCMAX-UHFFFAOYSA-N 0 3 215.709 2.159 10 0 BEAEHN CCNCc1ccc(N2CCC[C@H](C)CC2)nn1 ZINC000104352142 170127328 /nfs/dbraw/zinc/12/73/28/170127328.db2.gz WCBQGVPQHJBXBS-LBPRGKRZSA-N 0 3 248.374 2.213 10 0 BEAEHN CCNCc1cccc(N(C)CC(F)(F)F)n1 ZINC000051447798 170128258 /nfs/dbraw/zinc/12/82/58/170128258.db2.gz OGYIGSKXOJYDGA-UHFFFAOYSA-N 0 3 247.264 2.190 10 0 BEAEHN CCNCc1cccc(N2CC[C@H](C)C2)n1 ZINC000051448249 170128582 /nfs/dbraw/zinc/12/85/82/170128582.db2.gz RXHMWCJHNBMICX-NSHDSACASA-N 0 3 219.332 2.037 10 0 BEAEHN CCNCc1ccnc(-c2ccccc2)n1 ZINC000045206103 170129447 /nfs/dbraw/zinc/12/94/47/170129447.db2.gz SPLOXRITNYLTCO-UHFFFAOYSA-N 0 3 213.284 2.253 10 0 BEAEHN CCNCc1cnc(Cc2ccc(F)cc2)nc1 ZINC000054855602 170130565 /nfs/dbraw/zinc/13/05/65/170130565.db2.gz QPERUVWPUNYKAK-UHFFFAOYSA-N 0 3 245.301 2.316 10 0 BEAEHN CCNCc1cnc(N2CC[C@H](C)C2)s1 ZINC000054905902 170130904 /nfs/dbraw/zinc/13/09/04/170130904.db2.gz YTPPYDYQMGQFLB-VIFPVBQESA-N 0 3 225.361 2.099 10 0 BEAEHN CCNCc1occc1COc1cccnc1 ZINC000052646481 170133120 /nfs/dbraw/zinc/13/31/20/170133120.db2.gz SZNUCQGVLQMKMP-UHFFFAOYSA-N 0 3 232.283 2.363 10 0 BEAEHN CCN[C@@H](C)c1cnc(N2CCCC2)nc1C ZINC000054962916 170142809 /nfs/dbraw/zinc/14/28/09/170142809.db2.gz VKPRYNZUOGZGQL-JTQLQIEISA-N 0 3 234.347 2.056 10 0 BEAEHN CCN[C@@H](C)c1cnc(N2CCCC2)s1 ZINC000054900004 170142876 /nfs/dbraw/zinc/14/28/76/170142876.db2.gz HSUXAEJHENMAHH-VIFPVBQESA-N 0 3 225.361 2.414 10 0 BEAEHN CCN[C@@H](CO[C@H]1CCOC1)c1ccccc1 ZINC000104102763 170145956 /nfs/dbraw/zinc/14/59/56/170145956.db2.gz NTNFBYCYLBXAKV-KBPBESRZSA-N 0 3 235.327 2.143 10 0 BEAEHN CCN[C@@H](Cc1cnn(C)c1)c1cc(C)ccn1 ZINC000104407197 170146456 /nfs/dbraw/zinc/14/64/56/170146456.db2.gz JVEKPECGQUOWFS-AWEZNQCLSA-N 0 3 244.342 2.017 10 0 BEAEHN CCN[C@@H](Cc1ncc[nH]1)c1ccccc1OC ZINC000035570357 170146540 /nfs/dbraw/zinc/14/65/40/170146540.db2.gz WRGDXUHRVYHKRF-LBPRGKRZSA-N 0 3 245.326 2.312 10 0 BEAEHN CCN[C@@H](c1cc(C)ccc1C)[C@H]1COCCO1 ZINC000055300049 170147534 /nfs/dbraw/zinc/14/75/34/170147534.db2.gz DHHYXXNKXQERLW-CABCVRRESA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@@H](c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000035542419 170148483 /nfs/dbraw/zinc/14/84/83/170148483.db2.gz WPOMMKNOIMVUGT-GJZGRUSLSA-N 0 3 247.338 2.451 10 0 BEAEHN CCN[C@@H](c1ccncc1)c1cccnc1 ZINC000037761936 170148735 /nfs/dbraw/zinc/14/87/35/170148735.db2.gz WRUBYHLJTUCAAL-ZDUSSCGKSA-N 0 3 213.284 2.176 10 0 BEAEHN CCN[C@@H]1CCC[S@](=O)c2c(F)cccc21 ZINC000040976274 170151401 /nfs/dbraw/zinc/15/14/01/170151401.db2.gz NHCKQJDJQDTBDJ-BDJLRTHQSA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@@H]1CCN([C@@H]2CCC[C@H](C)[C@@H]2C)C1=O ZINC000049647821 170153151 /nfs/dbraw/zinc/15/31/51/170153151.db2.gz YCQCFDCFLZAWHJ-WUHRBBMRSA-N 0 3 238.375 2.022 10 0 BEAEHN CCN[C@@H]1CCc2cc(OC)cc(OC)c21 ZINC000042405372 170153703 /nfs/dbraw/zinc/15/37/03/170153703.db2.gz RHOJIDVPEKIDTN-LLVKDONJSA-N 0 3 221.300 2.301 10 0 BEAEHN CCN[C@@H]1COc2c1cccc2Br ZINC000035654534 170153983 /nfs/dbraw/zinc/15/39/83/170153983.db2.gz IOKLBDAWJDGNMH-SECBINFHSA-N 0 3 242.116 2.492 10 0 BEAEHN CCN[C@@H]1COc2ccc(OCC)cc21 ZINC000035654094 170154215 /nfs/dbraw/zinc/15/42/15/170154215.db2.gz RZAZDTISVWETNW-LLVKDONJSA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@@H]1c2cccc(OC)c2O[C@@H]1C ZINC000043633334 170154801 /nfs/dbraw/zinc/15/48/01/170154801.db2.gz ILSHZDCFJHPWAH-KCJUWKMLSA-N 0 3 207.273 2.127 10 0 BEAEHN CCN[C@H](Cc1ccccc1F)c1cnn(C)c1 ZINC000035556054 170163218 /nfs/dbraw/zinc/16/32/18/170163218.db2.gz MXPSFAPNKKWWLT-CQSZACIVSA-N 0 3 247.317 2.453 10 0 BEAEHN CCN[C@H](Cc1ncc[nH]1)c1ccccc1OC ZINC000035570359 170163272 /nfs/dbraw/zinc/16/32/72/170163272.db2.gz WRGDXUHRVYHKRF-GFCCVEGCSA-N 0 3 245.326 2.312 10 0 BEAEHN CCN[C@@H](c1cnn(C)c1)c1cccc(OC)c1 ZINC000035555922 170164213 /nfs/dbraw/zinc/16/42/13/170164213.db2.gz QFWHIWKMUWUTHE-CQSZACIVSA-N 0 3 245.326 2.128 10 0 BEAEHN CCN[C@H](c1ncccn1)C1CCCC1 ZINC000037469184 170165237 /nfs/dbraw/zinc/16/52/37/170165237.db2.gz NIFCGIQDRLSQGL-NSHDSACASA-N 0 3 205.305 2.317 10 0 BEAEHN CCN[C@H](c1ccncc1)c1cccnc1 ZINC000037761937 170165325 /nfs/dbraw/zinc/16/53/25/170165325.db2.gz WRUBYHLJTUCAAL-CYBMUJFWSA-N 0 3 213.284 2.176 10 0 BEAEHN CCN[C@H]1CCC[S@](=O)c2ccc(F)cc21 ZINC000040974230 170166377 /nfs/dbraw/zinc/16/63/77/170166377.db2.gz KMKOGNQFSHIOJN-MEDUHNTESA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647790 170167464 /nfs/dbraw/zinc/16/74/64/170167464.db2.gz QIVHGTLDNZRTRF-LBPRGKRZSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@H]1CCOc2c(F)c(F)ccc21 ZINC000062611258 170168608 /nfs/dbraw/zinc/16/86/08/170168608.db2.gz BPSQAGJFFGREHS-VIFPVBQESA-N 0 3 213.227 2.398 10 0 BEAEHN CCN[C@H]1CCOc2c(OC)cc(C)cc21 ZINC000035652535 170168910 /nfs/dbraw/zinc/16/89/10/170168910.db2.gz JPDYRQRBKFLMJU-NSHDSACASA-N 0 3 221.300 2.437 10 0 BEAEHN CCN[C@H]1c2cc(F)cc(F)c2O[C@H]1C ZINC000043634001 170170043 /nfs/dbraw/zinc/17/00/43/170170043.db2.gz ROERELUNIAYFDG-QUBYGPBYSA-N 0 3 213.227 2.396 10 0 BEAEHN CCN[C@](C)(CO)c1ccc(F)c(Cl)c1 ZINC000038120277 170170550 /nfs/dbraw/zinc/17/05/50/170170550.db2.gz CDSFFITXCCMFDQ-LLVKDONJSA-N 0 3 231.698 2.296 10 0 BEAEHN CCNc1cc(CN2CCC[C@H]2C)ccn1 ZINC000052709426 170171873 /nfs/dbraw/zinc/17/18/73/170171873.db2.gz MTZYOEJDVWYGKS-LLVKDONJSA-N 0 3 219.332 2.498 10 0 BEAEHN CCNc1nc2c(s1)CN(C(C)C)CC2 ZINC000061714373 170177099 /nfs/dbraw/zinc/17/70/99/170177099.db2.gz RUZPPAXDMDPJPY-UHFFFAOYSA-N 0 3 225.361 2.341 10 0 BEAEHN CCOC(=O)C1=C(C)CN(Cc2ccccc2)C1 ZINC000033338905 170191578 /nfs/dbraw/zinc/19/15/78/170191578.db2.gz CHKHVYMGUQOCPB-UHFFFAOYSA-N 0 3 245.322 2.382 10 0 BEAEHN CCOC(=O)CCNCc1cc(F)cc(F)c1 ZINC000083371215 170208786 /nfs/dbraw/zinc/20/87/86/170208786.db2.gz KFFAQQHJKXQYQP-UHFFFAOYSA-N 0 3 243.253 2.008 10 0 BEAEHN CCOC(=O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000034463617 170231952 /nfs/dbraw/zinc/23/19/52/170231952.db2.gz ULRZIHFFTUGEJT-AWEZNQCLSA-N 0 3 247.338 2.462 10 0 BEAEHN CCOC(=O)C[C@H]1NCCc2ccc(C)cc21 ZINC000049453867 170234541 /nfs/dbraw/zinc/23/45/41/170234541.db2.gz BWTFLVSPENULBC-CYBMUJFWSA-N 0 3 233.311 2.135 10 0 BEAEHN CCOC(=O)N[C@H](CN)c1ccc(C)cc1C ZINC000019421457 170242942 /nfs/dbraw/zinc/24/29/42/170242942.db2.gz WKCSAYSVBQZJAR-GFCCVEGCSA-N 0 3 236.315 2.049 10 0 BEAEHN CCOC(=O)[C@@]1(c2ccccc2)CCCN(C)C1 ZINC000005857817 170263110 /nfs/dbraw/zinc/26/31/10/170263110.db2.gz KYWYUHIJUSFICD-HNNXBMFYSA-N 0 3 247.338 2.213 10 0 BEAEHN CCOCCCn1c(N)nc2ccc(F)cc21 ZINC000052122809 170385795 /nfs/dbraw/zinc/38/57/95/170385795.db2.gz XWBRUYTWOWYYNN-UHFFFAOYSA-N 0 3 237.278 2.184 10 0 BEAEHN CCCc1nccnc1NC1CCN(CC)CC1 ZINC000663354018 411635921 /nfs/dbraw/zinc/63/59/21/411635921.db2.gz IQXIJTGOGKBQJH-UHFFFAOYSA-N 0 3 248.374 2.325 10 0 BEAEHN CCCc1nccnc1N[C@H]1CCN(C2CC2)C1 ZINC000663450371 411659394 /nfs/dbraw/zinc/65/93/94/411659394.db2.gz YBJQVKSCHJVPSO-NSHDSACASA-N 0 3 246.358 2.078 10 0 BEAEHN Cc1cccc(NC(=O)[C@]2(C)CCCCN2)c1O ZINC000133552799 411815777 /nfs/dbraw/zinc/81/57/77/411815777.db2.gz KZFLNSOKKHKDNZ-AWEZNQCLSA-N 0 3 248.326 2.171 10 0 BEAEHN CC[C@@H](C)NCc1sc(OC)nc1C ZINC000045205489 170755530 /nfs/dbraw/zinc/75/55/30/170755530.db2.gz TZMNXGZREDIGTI-SSDOTTSWSA-N 0 3 214.334 2.348 10 0 BEAEHN CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC)N1 ZINC000095752881 171066465 /nfs/dbraw/zinc/06/64/65/171066465.db2.gz XZTTYDZWKRHNEG-GHMZBOCLSA-N 0 3 242.363 2.384 10 0 BEAEHN CC[C@@H]1CN2CCC[C@H]2CN1CC(F)(F)F ZINC000246433801 171098891 /nfs/dbraw/zinc/09/88/91/171098891.db2.gz HDMQXWFULGEORO-ZJUUUORDSA-N 0 3 236.281 2.107 10 0 BEAEHN CC[C@@H]1CO[C@@H](C)CN1CC1(CO)CCCC1 ZINC000051295471 171110140 /nfs/dbraw/zinc/11/01/40/171110140.db2.gz WCVPMVOIUMMGLV-QWHCGFSZSA-N 0 3 241.375 2.038 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2nc3ccccc3n2C)CN1 ZINC000036672786 171110579 /nfs/dbraw/zinc/11/05/79/171110579.db2.gz HIRCSYMWWBMASB-ZWNOBZJWSA-N 0 3 245.326 2.013 10 0 BEAEHN CC[C@@H]1Cc2c(OC)ccc(OC)c2CN1 ZINC000052095295 171143319 /nfs/dbraw/zinc/14/33/19/171143319.db2.gz DCYZYUWMVHYESW-SECBINFHSA-N 0 3 221.300 2.128 10 0 BEAEHN CC[C@@H]1[C@H](CC)NCCN1C(=O)OC(C)(C)C ZINC000095752824 171145995 /nfs/dbraw/zinc/14/59/95/171145995.db2.gz LWQBEZTZVBCXBH-WDEREUQCSA-N 0 3 242.363 2.384 10 0 BEAEHN CC[C@@H]1NCCc2cc(OC)cc(OC)c21 ZINC000052095452 171150047 /nfs/dbraw/zinc/15/00/47/171150047.db2.gz RZRLAWOWVDYSIY-NSHDSACASA-N 0 3 221.300 2.301 10 0 BEAEHN CC[C@@](C)(O)CN[C@H](COC)c1ccccc1 ZINC000233980817 171186208 /nfs/dbraw/zinc/18/62/08/171186208.db2.gz CMWYILDKMXCIRW-ZIAGYGMSSA-N 0 3 237.343 2.125 10 0 BEAEHN CC[C@H](C)C(=O)N(C)c1cccc(CN)c1 ZINC000061950082 171247045 /nfs/dbraw/zinc/24/70/45/171247045.db2.gz ZONJAABARSWGPE-JTQLQIEISA-N 0 3 220.316 2.154 10 0 BEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1ccc(C)c(C)c1 ZINC000038065111 171345245 /nfs/dbraw/zinc/34/52/45/171345245.db2.gz HFJPLJPQDRAFQV-WCQYABFASA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1ccc(F)c(C)c1 ZINC000050559007 171345454 /nfs/dbraw/zinc/34/54/54/171345454.db2.gz RXPDBBHYCCUEIB-JOYOIKCWSA-N 0 3 238.306 2.049 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000040490630 171392799 /nfs/dbraw/zinc/39/27/99/171392799.db2.gz JMAZYJQNTUHYKK-CYDGBPFRSA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037017807 171395497 /nfs/dbraw/zinc/39/54/97/171395497.db2.gz UYSUOJLEXCPYQR-PEXQALLHSA-N 0 3 238.331 2.139 10 0 BEAEHN CC[C@H](N)c1cccc(Br)n1 ZINC000095685638 171490894 /nfs/dbraw/zinc/49/08/94/171490894.db2.gz YIGYLEOPRNZMCB-LURJTMIESA-N 0 3 215.094 2.254 10 0 BEAEHN CC[C@](N)(c1ccccc1)c1cncnc1 ZINC000052887701 171709107 /nfs/dbraw/zinc/70/91/07/171709107.db2.gz AJMLQRHQXBCRQI-ZDUSSCGKSA-N 0 3 213.284 2.089 10 0 BEAEHN CCc1ccc([C@@H](N)[C@H](C)n2cncn2)cc1 ZINC000037223904 171834410 /nfs/dbraw/zinc/83/44/10/171834410.db2.gz WGLVHFFOVYUFGE-GWCFXTLKSA-N 0 3 230.315 2.102 10 0 BEAEHN CCc1nc([C@H](NC)[C@H]2CCOC2)sc1C ZINC000041060665 172007382 /nfs/dbraw/zinc/00/73/82/172007382.db2.gz UTAQTWBNQJUQTL-GXSJLCMTSA-N 0 3 240.372 2.311 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)CC ZINC000122880710 172013984 /nfs/dbraw/zinc/01/39/84/172013984.db2.gz NNYSYVRAYYCBMC-NXEZZACHSA-N 0 3 222.336 2.064 10 0 BEAEHN CCc1ncc2c(n1)CC(C)(C)C[C@H]2NC ZINC000050101091 172024298 /nfs/dbraw/zinc/02/42/98/172024298.db2.gz FGQYMUYFWQCFEI-SNVBAGLBSA-N 0 3 219.332 2.272 10 0 BEAEHN CCc1nccn1C[C@H](N)c1ccccc1 ZINC000042419741 172026093 /nfs/dbraw/zinc/02/60/93/172026093.db2.gz FXBVTRZAUBZWNE-LBPRGKRZSA-N 0 3 215.300 2.146 10 0 BEAEHN CCc1nccn1Cc1cc(C)c(CNC)o1 ZINC000052593310 172028262 /nfs/dbraw/zinc/02/82/62/172028262.db2.gz JZWYCGKXTQBVKE-UHFFFAOYSA-N 0 3 233.315 2.115 10 0 BEAEHN CCn1cc(-c2ccc(CN)c(F)c2)cn1 ZINC000043462666 172149730 /nfs/dbraw/zinc/14/97/30/172149730.db2.gz LAUGIFNROYYPGA-UHFFFAOYSA-N 0 3 219.263 2.168 10 0 BEAEHN CCn1cc([C@@H](N)Cc2cccs2)cn1 ZINC000052900431 172193881 /nfs/dbraw/zinc/19/38/81/172193881.db2.gz BVPIOOGRRXCOBC-NSHDSACASA-N 0 3 221.329 2.207 10 0 BEAEHN CCn1cccc1C(=O)Nc1cccc(CN)c1 ZINC000063190868 172202991 /nfs/dbraw/zinc/20/29/91/172202991.db2.gz WTCRPWMSBLQKJD-UHFFFAOYSA-N 0 3 243.310 2.219 10 0 BEAEHN CCn1cccc1CNCc1cccc(CO)c1 ZINC000227457479 172208154 /nfs/dbraw/zinc/20/81/54/172208154.db2.gz KKLMSGGFBFBKJH-UHFFFAOYSA-N 0 3 244.338 2.290 10 0 BEAEHN CCn1ccnc1Nc1cccc(N)c1 ZINC000050608108 172227067 /nfs/dbraw/zinc/22/70/67/172227067.db2.gz LNJSJMWYONMIJI-UHFFFAOYSA-N 0 3 202.261 2.229 10 0 BEAEHN CCn1nccc1CNCC1(C(C)C)CC1 ZINC000119513913 172269036 /nfs/dbraw/zinc/26/90/36/172269036.db2.gz ROQDMOGZIOYSHI-UHFFFAOYSA-N 0 3 221.348 2.429 10 0 BEAEHN CN([C@@H](CN)c1ccccc1Cl)C1CC1 ZINC000037080869 172596556 /nfs/dbraw/zinc/59/65/56/172596556.db2.gz NLRQHVNRERIYPI-LBPRGKRZSA-N 0 3 224.735 2.434 10 0 BEAEHN CN1CCCC[C@H]1CNc1cc(Cl)ncn1 ZINC000044565937 173009637 /nfs/dbraw/zinc/00/96/37/173009637.db2.gz WOLZFEHVHCWASU-VIFPVBQESA-N 0 3 240.738 2.026 10 0 BEAEHN CN1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000336144924 173085476 /nfs/dbraw/zinc/08/54/76/173085476.db2.gz ZEHQUIVMQDZENI-NSHDSACASA-N 0 3 232.318 2.059 10 0 BEAEHN CN1CC[C@@H](Nc2cc(F)cc(F)c2)C1 ZINC000061984676 173125820 /nfs/dbraw/zinc/12/58/20/173125820.db2.gz NYQNIQRPGHYALV-SNVBAGLBSA-N 0 3 212.243 2.081 10 0 BEAEHN CN1CC[C@@]2(c3cccc(O)c3)CC(=O)C[C@@H]1C2 ZINC000013738630 173140777 /nfs/dbraw/zinc/14/07/77/173140777.db2.gz CHWUTFJMLXHAEH-DOMZBBRYSA-N 0 3 245.322 2.087 10 0 BEAEHN CN1CC[C@H](N[C@@H]2CSCc3ccccc32)C1 ZINC000042545983 173155140 /nfs/dbraw/zinc/15/51/40/173155140.db2.gz SVZULZVHRHRBEM-GXTWGEPZSA-N 0 3 248.395 2.268 10 0 BEAEHN CNC(=O)CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037224819 173278150 /nfs/dbraw/zinc/27/81/50/173278150.db2.gz LMTBJDYVBCHLLQ-LLVKDONJSA-N 0 3 248.370 2.381 10 0 BEAEHN CNC(=O)Oc1cccc([C@H](C)N(C)C)c1 ZINC000000967934 173293513 /nfs/dbraw/zinc/29/35/13/173293513.db2.gz KQOUPMYYRQWZLI-VIFPVBQESA-N 0 3 222.288 2.027 10 0 in-vitro BEAEHN CNC(C)(C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000061300328 173318245 /nfs/dbraw/zinc/31/82/45/173318245.db2.gz RYHHODUMPZTWRH-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(C)cc1C ZINC000061300188 173318466 /nfs/dbraw/zinc/31/84/66/173318466.db2.gz VKAJDSDSEAFZDT-UHFFFAOYSA-N 0 3 220.316 2.240 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccccc1SC ZINC000061300756 173319323 /nfs/dbraw/zinc/31/93/23/173319323.db2.gz HUXXEKOVEXSLTI-UHFFFAOYSA-N 0 3 238.356 2.345 10 0 BEAEHN CNC1(c2nccs2)CCN(C(C)C)CC1 ZINC000041060327 173321924 /nfs/dbraw/zinc/32/19/24/173321924.db2.gz FVHKYPVSWOSFME-UHFFFAOYSA-N 0 3 239.388 2.062 10 0 BEAEHN CNCc1cc(C(F)(F)F)cnc1Cl ZINC000095756636 173386224 /nfs/dbraw/zinc/38/62/24/173386224.db2.gz HCCNNUZSXJUFQH-UHFFFAOYSA-N 0 3 224.613 2.473 10 0 BEAEHN CNCc1c(C)nc(-c2cc(C)ccn2)nc1C ZINC000104429246 173383894 /nfs/dbraw/zinc/38/38/94/173383894.db2.gz WAZMNUVZSZCBJS-UHFFFAOYSA-N 0 3 242.326 2.183 10 0 BEAEHN CNCc1c(C)nc(C2CCCC2)nc1C ZINC000054854021 173383951 /nfs/dbraw/zinc/38/39/51/173383951.db2.gz HNNSRAPNEWMIMM-UHFFFAOYSA-N 0 3 219.332 2.470 10 0 BEAEHN CNCc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000054830975 173385754 /nfs/dbraw/zinc/38/57/54/173385754.db2.gz PEFHOCLANSGYLO-UHFFFAOYSA-N 0 3 231.274 2.311 10 0 BEAEHN CNCc1cc(C)ccc1OCc1cnn(C)c1 ZINC000071403554 173385936 /nfs/dbraw/zinc/38/59/36/173385936.db2.gz XHDQWXUSIYWYTK-UHFFFAOYSA-N 0 3 245.326 2.027 10 0 BEAEHN CNCc1cc(Cn2nc(C)c(C)c2C)c(C)o1 ZINC000052591679 173387177 /nfs/dbraw/zinc/38/71/77/173387177.db2.gz XQDWZYUPXNMZKD-UHFFFAOYSA-N 0 3 247.342 2.477 10 0 BEAEHN CNCc1cc(Cl)cc(OC)c1OC ZINC000040722117 173387595 /nfs/dbraw/zinc/38/75/95/173387595.db2.gz SURCRPLZALWVGX-UHFFFAOYSA-N 0 3 215.680 2.077 10 0 BEAEHN CNCc1ccc(OCc2ccccc2)nc1 ZINC000051523315 173388723 /nfs/dbraw/zinc/38/87/23/173388723.db2.gz CNCOSMNBDAFJOJ-UHFFFAOYSA-N 0 3 228.295 2.380 10 0 BEAEHN CNCc1cccc(NC(=O)c2ccncc2)c1 ZINC000036282576 173389500 /nfs/dbraw/zinc/38/95/00/173389500.db2.gz FDMFBEUZPLHOFQ-UHFFFAOYSA-N 0 3 241.294 2.053 10 0 BEAEHN CNCc1cccnc1N(C)CC(C)(C)C ZINC000051518101 173390193 /nfs/dbraw/zinc/39/01/93/173390193.db2.gz INYWUNUNAHBFLW-UHFFFAOYSA-N 0 3 221.348 2.283 10 0 BEAEHN CNCc1ccccc1NC(=O)c1ccncc1 ZINC000036280767 173390354 /nfs/dbraw/zinc/39/03/54/173390354.db2.gz DYKXKPFRZNKRNT-UHFFFAOYSA-N 0 3 241.294 2.053 10 0 BEAEHN CNCc1ccccc1NC(=O)c1cccnc1 ZINC000036280778 173390744 /nfs/dbraw/zinc/39/07/44/173390744.db2.gz UJFDWTICPJOYAM-UHFFFAOYSA-N 0 3 241.294 2.053 10 0 BEAEHN CNCc1cnc(N2CC[C@H](C)C[C@H]2C)s1 ZINC000054905297 173392671 /nfs/dbraw/zinc/39/26/71/173392671.db2.gz AYOQETAOMFVKRF-VHSXEESVSA-N 0 3 239.388 2.487 10 0 BEAEHN CNCc1cnn(Cc2cccc(Cl)c2)c1 ZINC000054719154 173393042 /nfs/dbraw/zinc/39/30/42/173393042.db2.gz XKXQOATVPNGZSM-UHFFFAOYSA-N 0 3 235.718 2.304 10 0 BEAEHN CNCc1cnn(Cc2ccc(C)cc2)c1C ZINC000042355804 173393150 /nfs/dbraw/zinc/39/31/50/173393150.db2.gz DKDMCEBRAINKMY-UHFFFAOYSA-N 0 3 229.327 2.268 10 0 BEAEHN CNCc1nc(-c2ccc(C)cc2)c[nH]1 ZINC000036877322 173394367 /nfs/dbraw/zinc/39/43/67/173394367.db2.gz KWGOVLASVBWYCU-UHFFFAOYSA-N 0 3 201.273 2.105 10 0 BEAEHN CNCc1nc(CN2CCCCCC2)cs1 ZINC000052381714 173395457 /nfs/dbraw/zinc/39/54/57/173395457.db2.gz OMYMQDYDYXXHFF-UHFFFAOYSA-N 0 3 239.388 2.239 10 0 BEAEHN CNCc1nc(-c2ccc(F)cc2)c(C)[nH]1 ZINC000036877249 173395638 /nfs/dbraw/zinc/39/56/38/173395638.db2.gz XFLXSECCSWWGQL-UHFFFAOYSA-N 0 3 219.263 2.244 10 0 BEAEHN CN[C@@H](C)c1cc2c(cc1Cl)OCCO2 ZINC000035501344 173418457 /nfs/dbraw/zinc/41/84/57/173418457.db2.gz QZIDCPFQMPFGCK-ZETCQYMHSA-N 0 3 227.691 2.392 10 0 BEAEHN CN[C@@H](Cc1cccs1)c1cnccn1 ZINC000053828561 173425659 /nfs/dbraw/zinc/42/56/59/173425659.db2.gz TZBWAECGPUZFSE-JTQLQIEISA-N 0 3 219.313 2.041 10 0 BEAEHN COCCN(CC(=O)C(C)(C)C)[C@H](C)C1CC1 ZINC000042680725 174284819 /nfs/dbraw/zinc/28/48/19/174284819.db2.gz HLAYDZVFAZIQNT-LLVKDONJSA-N 0 3 241.375 2.349 10 0 BEAEHN COCCN(CCC(C)=O)Cc1ccccc1 ZINC000121018961 174289818 /nfs/dbraw/zinc/28/98/18/174289818.db2.gz SBNTVEFOIFNKTF-UHFFFAOYSA-N 0 3 235.327 2.114 10 0 BEAEHN COCCN(Cc1ccc2c(c1)CCN2)C1CC1 ZINC000042519659 174299464 /nfs/dbraw/zinc/29/94/64/174299464.db2.gz UUKUMPGLAWKRIS-UHFFFAOYSA-N 0 3 246.354 2.265 10 0 BEAEHN COCCNCCOc1cc(C)ccc1Cl ZINC000041289590 174333861 /nfs/dbraw/zinc/33/38/61/174333861.db2.gz JNPPDSRUJWXMMF-UHFFFAOYSA-N 0 3 243.734 2.263 10 0 BEAEHN COCCNCc1oc2ccccc2c1C ZINC000045206667 174336919 /nfs/dbraw/zinc/33/69/19/174336919.db2.gz DMQIEZUBSLRUTC-UHFFFAOYSA-N 0 3 219.284 2.477 10 0 BEAEHN COCCOc1ccc(Cl)cc1[C@@H](C)N ZINC000041251979 174368990 /nfs/dbraw/zinc/36/89/90/174368990.db2.gz CYKFLPCGPGHGIG-MRVPVSSYSA-N 0 3 229.707 2.385 10 0 BEAEHN COCC[C@@H](N)c1ccc(F)c(F)c1F ZINC000061838581 174393060 /nfs/dbraw/zinc/39/30/60/174393060.db2.gz AKMYWHZYJOLPRK-MRVPVSSYSA-N 0 3 219.206 2.140 10 0 BEAEHN COc1cc(NC2=NCCC2)cc(OC)c1 ZINC000003866634 175001249 /nfs/dbraw/zinc/00/12/49/175001249.db2.gz HBKPBBQXFVCDTP-UHFFFAOYSA-N 0 3 220.272 2.308 10 0 BEAEHN COc1cc(OC)c2c(c1)OC(C)(C)C[C@H]2N ZINC000059315849 175008613 /nfs/dbraw/zinc/00/86/13/175008613.db2.gz GULJGIRKVRSGOB-SECBINFHSA-N 0 3 237.299 2.265 10 0 BEAEHN COc1cc2nc(CNC(C)C)[nH]c2cc1OC ZINC000042173123 175027920 /nfs/dbraw/zinc/02/79/20/175027920.db2.gz WYCSABIDAREMTN-UHFFFAOYSA-N 0 3 249.314 2.078 10 0 BEAEHN COc1ccc(-c2c[nH]c([C@@H](C)N)n2)cc1 ZINC000036872236 175029699 /nfs/dbraw/zinc/02/96/99/175029699.db2.gz GGLVKEPXVANSAQ-MRVPVSSYSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccc(-c2n[nH]c3c2CN(C)CC3)cc1 ZINC000082807630 175037990 /nfs/dbraw/zinc/03/79/90/175037990.db2.gz LMQSROFFRWSNIM-UHFFFAOYSA-N 0 3 243.310 2.073 10 0 BEAEHN COc1ccc(-c2nc(C)c(CN)c(C)n2)cc1 ZINC000054836860 175038366 /nfs/dbraw/zinc/03/83/66/175038366.db2.gz SOLZPQUNZVMPOO-UHFFFAOYSA-N 0 3 243.310 2.228 10 0 BEAEHN COc1ccc(C)cc1[C@@H](CN)N(C)CC1CC1 ZINC000077424048 175080543 /nfs/dbraw/zinc/08/05/43/175080543.db2.gz AZCMZPQPPANWAA-CQSZACIVSA-N 0 3 248.370 2.345 10 0 BEAEHN COc1ccc(C)cc1[C@@H](O)CN(C)C1CC1 ZINC000042250727 175080670 /nfs/dbraw/zinc/08/06/70/175080670.db2.gz RCEGWXLOKFIAQU-ZDUSSCGKSA-N 0 3 235.327 2.131 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)c1cccnc1 ZINC000011832187 175082081 /nfs/dbraw/zinc/08/20/81/175082081.db2.gz BHHPYKFJZCJLBC-CQSZACIVSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1ccc(Cl)c2c1NCC[C@H]2N ZINC000082372187 175118413 /nfs/dbraw/zinc/11/84/13/175118413.db2.gz MMGMVAJEPJAXRO-SSDOTTSWSA-N 0 3 212.680 2.164 10 0 BEAEHN COc1ccc(NC(=O)[C@@H]2CCC[C@H](C)N2)cc1 ZINC000019505812 175145709 /nfs/dbraw/zinc/14/57/09/175145709.db2.gz ODXQOPHQNYPDDB-GWCFXTLKSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1ccc(NC(=O)[C@H]2CCC[C@H](C)N2)cc1 ZINC000019505813 175146700 /nfs/dbraw/zinc/14/67/00/175146700.db2.gz ODXQOPHQNYPDDB-GXFFZTMASA-N 0 3 248.326 2.164 10 0 BEAEHN COc1ccc(N[C@H]2CCN(C)C2)cc1C ZINC000061989630 175155333 /nfs/dbraw/zinc/15/53/33/175155333.db2.gz FQXDUQRZAPUOAF-LBPRGKRZSA-N 0 3 220.316 2.120 10 0 BEAEHN COc1ccc(OC)c2c1CCN[C@@H]2C1CC1 ZINC000028429929 175170695 /nfs/dbraw/zinc/17/06/95/175170695.db2.gz BUFVEHPXNPTIRG-CQSZACIVSA-N 0 3 233.311 2.301 10 0 BEAEHN COc1ccc(OC)c2c1CCCC[C@H]2N ZINC000019727445 175170869 /nfs/dbraw/zinc/17/08/69/175170869.db2.gz LXYUWDXJHHKIIZ-SNVBAGLBSA-N 0 3 221.300 2.430 10 0 BEAEHN COc1ccc([C@@H](N)c2ccncc2)c(OC)c1 ZINC000011832590 175180323 /nfs/dbraw/zinc/18/03/23/175180323.db2.gz RPCSNYLFYCGIDC-AWEZNQCLSA-N 0 3 244.294 2.147 10 0 BEAEHN COc1ccc([C@H](C)N[C@@H]2C[C@H]2C)cc1O ZINC000289822280 175189048 /nfs/dbraw/zinc/18/90/48/175189048.db2.gz PXHSNUVYICEARC-WCABBAIRSA-N 0 3 221.300 2.460 10 0 BEAEHN COc1ccc([C@H](N)c2ccc[nH]2)cc1 ZINC000011848739 175192804 /nfs/dbraw/zinc/19/28/04/175192804.db2.gz VCESYOUEWJYREN-LBPRGKRZSA-N 0 3 202.257 2.071 10 0 BEAEHN COc1ccc([C@H]2CNC[C@H](C)O2)cc1C ZINC000071523074 175196622 /nfs/dbraw/zinc/19/66/22/175196622.db2.gz CMJLOXIOSXREED-GXFFZTMASA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc([C@](C)(N)c2cccnc2)cc1 ZINC000037761483 175199810 /nfs/dbraw/zinc/19/98/10/175199810.db2.gz MPHFTOVJGRGZCA-AWEZNQCLSA-N 0 3 228.295 2.312 10 0 BEAEHN COc1ccc2c(c1)C1(CC1)CN[C@@H]2C ZINC000071508635 175206883 /nfs/dbraw/zinc/20/68/83/175206883.db2.gz UXERRNWJAJPMEO-SECBINFHSA-N 0 3 203.285 2.391 10 0 BEAEHN COc1ccc2c(c1)C1(CCC1)CNC2 ZINC000211576858 175207161 /nfs/dbraw/zinc/20/71/61/175207161.db2.gz VGSDIFWDMJPJNJ-UHFFFAOYSA-N 0 3 203.285 2.220 10 0 BEAEHN COc1cccc(CC[C@@H]2COC[C@H](C)N2)c1 ZINC000071545512 175253406 /nfs/dbraw/zinc/25/34/06/175253406.db2.gz DRQQIIYYXXWLIP-WCQYABFASA-N 0 3 235.327 2.005 10 0 BEAEHN COc1cccc(CC[C@H]2COC[C@H](C)N2)c1 ZINC000071545510 175253972 /nfs/dbraw/zinc/25/39/72/175253972.db2.gz DRQQIIYYXXWLIP-AAEUAGOBSA-N 0 3 235.327 2.005 10 0 BEAEHN COc1cccc(CN)c1OCc1ccccn1 ZINC000035413028 175256532 /nfs/dbraw/zinc/25/65/32/175256532.db2.gz NNEZISVSGYSCGY-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1cccc(CN)c1OCc1cccnc1 ZINC000035413027 175256859 /nfs/dbraw/zinc/25/68/59/175256859.db2.gz YEVPWYBHLXPYCG-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1cccc(COc2ccc(CN)cn2)c1 ZINC000019426787 175270069 /nfs/dbraw/zinc/27/00/69/175270069.db2.gz YVUZMWSBTBQSLC-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1cccc(C[C@@H](N)c2cncc(F)c2)c1 ZINC000049576506 175271810 /nfs/dbraw/zinc/27/18/10/175271810.db2.gz OOUXLRVTNZXLQQ-CQSZACIVSA-N 0 3 246.285 2.472 10 0 BEAEHN COc1cccc([C@@H](O)[C@H](N)c2ccccc2)c1 ZINC000054682503 175289840 /nfs/dbraw/zinc/28/98/40/175289840.db2.gz SBACAJZJLBCZAU-HUUCEWRRSA-N 0 3 243.306 2.429 10 0 BEAEHN COc1cccc([C@H](N)c2ccc[nH]2)c1 ZINC000011848743 175294784 /nfs/dbraw/zinc/29/47/84/175294784.db2.gz DJDHUBHXLRFUJY-LBPRGKRZSA-N 0 3 202.257 2.071 10 0 BEAEHN COc1cccc2[nH]c3c(c21)CCN=C3 ZINC000013587963 175297531 /nfs/dbraw/zinc/29/75/31/175297531.db2.gz UXOCVYNVGBOVRY-UHFFFAOYSA-N 0 3 200.241 2.152 10 0 in-vivo BEAEHN COc1ccccc1-c1c[nH]c([C@@H](C)N)n1 ZINC000036872266 175310299 /nfs/dbraw/zinc/31/02/99/175310299.db2.gz SZGDWXYBPODKLJ-MRVPVSSYSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccccc1CN(C[C@H](C)O)C(C)C ZINC000036102853 175325644 /nfs/dbraw/zinc/32/56/44/175325644.db2.gz YCIREIJVARIFSF-LBPRGKRZSA-N 0 3 237.343 2.286 10 0 BEAEHN COc1ccccc1CN1CCCC[C@@H]1CCO ZINC000049801466 175325939 /nfs/dbraw/zinc/32/59/39/175325939.db2.gz PKBBTFXERYDXMT-CQSZACIVSA-N 0 3 249.354 2.432 10 0 BEAEHN COc1ccccc1CNC1CCC(O)CC1 ZINC000019918482 175329259 /nfs/dbraw/zinc/32/92/59/175329259.db2.gz VWRBHGMSRRZIMI-UHFFFAOYSA-N 0 3 235.327 2.088 10 0 BEAEHN COc1ccccc1C[C@H](N)c1cncc(F)c1 ZINC000049576497 175333913 /nfs/dbraw/zinc/33/39/13/175333913.db2.gz QBUQDJQSGLERNN-ZDUSSCGKSA-N 0 3 246.285 2.472 10 0 BEAEHN COc1ccccc1[C@@H](N)CN1CCC[C@H](C)C1 ZINC000036878858 175347113 /nfs/dbraw/zinc/34/71/13/175347113.db2.gz UTBJSFFCQBRZOO-JSGCOSHPSA-N 0 3 248.370 2.427 10 0 BEAEHN COc1ccccc1[C@@H](N)CN(C)CC(C)C ZINC000037108346 175347407 /nfs/dbraw/zinc/34/74/07/175347407.db2.gz FSSKDXJMNXOQOU-ZDUSSCGKSA-N 0 3 236.359 2.283 10 0 BEAEHN COc1ccccc1[C@@H]1CNCCN1C(C)C ZINC000077369926 175348516 /nfs/dbraw/zinc/34/85/16/175348516.db2.gz ZKWFBHXEHCYSET-ZDUSSCGKSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccccc1[C@H](C)N[C@@H](C)[C@@H](C)CO ZINC000131734364 175352045 /nfs/dbraw/zinc/35/20/45/175352045.db2.gz QSFCUCNEKRQPNN-SRVKXCTJSA-N 0 3 237.343 2.363 10 0 BEAEHN COc1ccccc1[C@H](CN)N(C)C[C@H]1C[C@H]1C ZINC000111765790 175353039 /nfs/dbraw/zinc/35/30/39/175353039.db2.gz LMCYWDHXBDCWLA-BZPMIXESSA-N 0 3 248.370 2.283 10 0 BEAEHN COc1ccccc1[C@H](CN)N(C)CC1CC1 ZINC000020225781 175353252 /nfs/dbraw/zinc/35/32/52/175353252.db2.gz MYJYRISYEWYOTQ-ZDUSSCGKSA-N 0 3 234.343 2.037 10 0 BEAEHN C[C@@H](CN(C)C)C(=O)c1ccc(F)cc1 ZINC000049814531 175695626 /nfs/dbraw/zinc/69/56/26/175695626.db2.gz SRKRSCMXPYMZCR-VIFPVBQESA-N 0 3 209.264 2.206 10 0 BEAEHN C[C@@H](NC1=NCCCS1)c1ccncc1 ZINC000035694076 175857588 /nfs/dbraw/zinc/85/75/88/175857588.db2.gz FQZJWHMSWBAQIK-SECBINFHSA-N 0 3 221.329 2.225 10 0 BEAEHN C[C@@H](c1ccc(Cl)s1)N1CC[C@H](N)C1=O ZINC000049649063 176014363 /nfs/dbraw/zinc/01/43/63/176014363.db2.gz ADKXGVQTJWMXLM-BQBZGAKWSA-N 0 3 244.747 2.022 10 0 BEAEHN C[C@@H](c1cccc(N)c1)N1CCSCC1 ZINC000040908096 176017938 /nfs/dbraw/zinc/01/79/38/176017938.db2.gz MDLLDXVAINOCJW-JTQLQIEISA-N 0 3 222.357 2.379 10 0 BEAEHN C[C@@H]1CCCC[C@H]1Oc1ccnc(CN)c1 ZINC000051524784 176090556 /nfs/dbraw/zinc/09/05/56/176090556.db2.gz RBMSLZATAMUSSX-ZWNOBZJWSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCCCC2)N1 ZINC000019514189 176112382 /nfs/dbraw/zinc/11/23/82/176112382.db2.gz IDLATLGKYILAAP-YPMHNXCESA-N 0 3 238.375 2.308 10 0 BEAEHN C[C@@H]1CCCN[C@H]1C(=O)Nc1ccccc1 ZINC000051791922 176112776 /nfs/dbraw/zinc/11/27/76/176112776.db2.gz WOSWUXGBZWFEER-ZYHUDNBSSA-N 0 3 218.300 2.013 10 0 BEAEHN C[C@@H]1CCC[C@@H](C)N(CC(=O)NC(C)(C)C)C1 ZINC000125168350 176114662 /nfs/dbraw/zinc/11/46/62/176114662.db2.gz BRGVGINVVDYODH-VXGBXAGGSA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@@H]1CCC[C@@](NCc2ccccc2)(C(N)=O)C1 ZINC000037941238 176134186 /nfs/dbraw/zinc/13/41/86/176134186.db2.gz XGDBVUADWFMIDR-DOMZBBRYSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2)N1 ZINC000019479802 176134439 /nfs/dbraw/zinc/13/44/39/176134439.db2.gz ULIPTJZIMZIANI-TZMCWYRMSA-N 0 3 246.354 2.176 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2)N1 ZINC000019518965 176136076 /nfs/dbraw/zinc/13/60/76/176136076.db2.gz KCCYVMHRXKHSFG-ZYHUDNBSSA-N 0 3 218.300 2.156 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2F)N1 ZINC000019509173 176136280 /nfs/dbraw/zinc/13/62/80/176136280.db2.gz NPZYWUWVHUZOLS-BXKDBHETSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@@H]1CCC[C@H](Oc2cccc(CN)n2)C1 ZINC000051542214 176145991 /nfs/dbraw/zinc/14/59/91/176145991.db2.gz ALZZHSAXWVSHEJ-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@H](c2nccc(CN)n2)C1 ZINC000054791063 176146524 /nfs/dbraw/zinc/14/65/24/176146524.db2.gz MJOUPGHWWBAVRX-ZJUUUORDSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@@H]1CCC[C@H](c2ncc(CN)cn2)C1 ZINC000054855302 176146769 /nfs/dbraw/zinc/14/67/69/176146769.db2.gz IRMNLMIQENOPMT-KOLCDFICSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@@H]1CN(C[C@@H]2CCCCC2=O)CC(C)(C)O1 ZINC000060720374 176297311 /nfs/dbraw/zinc/29/73/11/176297311.db2.gz BTPSNZFDHYZVSS-NEPJUHHUSA-N 0 3 239.359 2.245 10 0 BEAEHN C[C@@H]1CN(c2ccc(Cl)cc2)N=C1N ZINC000034592821 176318970 /nfs/dbraw/zinc/31/89/70/176318970.db2.gz DKGDVRCBCBXYMF-SSDOTTSWSA-N 0 3 209.680 2.068 10 0 BEAEHN C[C@@H]1CSC(NCc2cccs2)=N1 ZINC000035295321 176349404 /nfs/dbraw/zinc/34/94/04/176349404.db2.gz FUGXAVPWEKWVFR-SSDOTTSWSA-N 0 3 212.343 2.329 10 0 BEAEHN C[C@@H]1C[C@@H](C)CN(Cc2csc(CN)n2)C1 ZINC000052420735 176362134 /nfs/dbraw/zinc/36/21/34/176362134.db2.gz CJMICXHDRQAMEA-NXEZZACHSA-N 0 3 239.388 2.080 10 0 BEAEHN C[C@@H]1C[C@@H]1CN[C@@H]1COc2ccccc21 ZINC000336769545 176397994 /nfs/dbraw/zinc/39/79/94/176397994.db2.gz VSMOEONOHQICJE-CKYFFXLPSA-N 0 3 203.285 2.366 10 0 BEAEHN C[C@@H]1C[C@@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000052287796 176403896 /nfs/dbraw/zinc/40/38/96/176403896.db2.gz UFUQKNCLTVSVDB-KCJUWKMLSA-N 0 3 238.718 2.277 10 0 BEAEHN C[C@H](O)c1cc(Cl)ccc1OCCN(C)C ZINC000041289599 177016559 /nfs/dbraw/zinc/01/65/59/177016559.db2.gz VNVPAMGZIZOEMB-VIFPVBQESA-N 0 3 243.734 2.334 10 0 BEAEHN C[C@H](c1ccc(N)cc1)N1CCSCC1 ZINC000040908761 177035415 /nfs/dbraw/zinc/03/54/15/177035415.db2.gz DIKOMBGMUWMJQU-SNVBAGLBSA-N 0 3 222.357 2.379 10 0 BEAEHN C[C@H](c1cccs1)N(C)C(=O)C(C)(C)N ZINC000040923975 177049383 /nfs/dbraw/zinc/04/93/83/177049383.db2.gz DYJRSFIGACKGCH-MRVPVSSYSA-N 0 3 226.345 2.005 10 0 BEAEHN C[C@H]1CCCC[C@@H]1CNCc1ccncn1 ZINC000054789832 177080234 /nfs/dbraw/zinc/08/02/34/177080234.db2.gz IGJLTZGUMUGVDG-NWDGAFQWSA-N 0 3 219.332 2.393 10 0 BEAEHN C[C@H]1CCCC[C@@H]1NCc1ccncn1 ZINC000054788660 177083561 /nfs/dbraw/zinc/08/35/61/177083561.db2.gz JETFDLPEBCNVBU-JQWIXIFHSA-N 0 3 205.305 2.145 10 0 BEAEHN C[C@H]1CCCC[C@@H]1Oc1ncccc1C(=N)N ZINC000019423989 177084048 /nfs/dbraw/zinc/08/40/48/177084048.db2.gz HZQCLDIBKMRTTG-ONGXEEELSA-N 0 3 233.315 2.323 10 0 BEAEHN C[C@H]1CCCC[C@H]1Oc1cccc(CN)n1 ZINC000051524766 177090650 /nfs/dbraw/zinc/09/06/50/177090650.db2.gz CPQYWYKPDVWPQP-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(CN)o1 ZINC000052373315 177102356 /nfs/dbraw/zinc/10/23/56/177102356.db2.gz OMEXHCWLITZGBI-WDEREUQCSA-N 0 3 222.332 2.359 10 0 BEAEHN C[C@H]1CCCN1[C@@H](CN)c1cccc(F)c1F ZINC000104247805 177111949 /nfs/dbraw/zinc/11/19/49/177111949.db2.gz WGSMHZYVZFTFJO-CABZTGNLSA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2F)N1 ZINC000019509171 177114296 /nfs/dbraw/zinc/11/42/96/177114296.db2.gz NPZYWUWVHUZOLS-CABZTGNLSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2)N1 ZINC000019425535 177129255 /nfs/dbraw/zinc/12/92/55/177129255.db2.gz YGXGPIQISVLDPM-JOYOIKCWSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@H]1CN(CCCNc2ccccc2)CCN1C ZINC000104132453 177249719 /nfs/dbraw/zinc/24/97/19/177249719.db2.gz TWNIJFLASWCRLA-AWEZNQCLSA-N 0 3 247.386 2.125 10 0 BEAEHN C[C@H]1CN(C[C@@H](O)c2ccccc2)CCS1 ZINC000221540197 177257371 /nfs/dbraw/zinc/25/73/71/177257371.db2.gz LQDHDQHYTSDRQJ-WCQYABFASA-N 0 3 237.368 2.157 10 0 BEAEHN C[C@H](NC1=NC[C@H](C)S1)c1cccnc1 ZINC000035692469 177281952 /nfs/dbraw/zinc/28/19/52/177281952.db2.gz KJSPEXHLZQCLNN-IUCAKERBSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@H]1CSC(NCc2cccs2)=N1 ZINC000035295322 177303175 /nfs/dbraw/zinc/30/31/75/177303175.db2.gz FUGXAVPWEKWVFR-ZETCQYMHSA-N 0 3 212.343 2.329 10 0 BEAEHN C[C@H]1CSC(NCc2ccccc2)=N1 ZINC000035294407 177303350 /nfs/dbraw/zinc/30/33/50/177303350.db2.gz BXPGWSKMTAYXJF-VIFPVBQESA-N 0 3 206.314 2.268 10 0 BEAEHN C[C@H]1CSC(NCCc2cccs2)=N1 ZINC000035294984 177303370 /nfs/dbraw/zinc/30/33/70/177303370.db2.gz ACCLSCXDEQDJAB-QMMMGPOBSA-N 0 3 226.370 2.372 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1nccn1-c1ccccc1 ZINC000190952112 177349691 /nfs/dbraw/zinc/34/96/91/177349691.db2.gz JGUKRVQZKVZLJO-AAEUAGOBSA-N 0 3 227.311 2.370 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000052273024 177386125 /nfs/dbraw/zinc/38/61/25/177386125.db2.gz MMQFQGQMIHBUQH-SWLSCSKDSA-N 0 3 241.338 2.429 10 0 BEAEHN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCCN1 ZINC000019426700 177389431 /nfs/dbraw/zinc/38/94/31/177389431.db2.gz IYTBDYNESDWFOW-WCQYABFASA-N 0 3 244.338 2.106 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000054074546 487681186 /nfs/dbraw/zinc/68/11/86/487681186.db2.gz SHLVTOGVMIMSRF-RYUDHWBXSA-N 0 3 234.343 2.089 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cccc2c1CCCC2 ZINC000054071557 487681021 /nfs/dbraw/zinc/68/10/21/487681021.db2.gz CLFIWGMRUZMLIU-SNVBAGLBSA-N 0 3 232.327 2.112 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000054076396 487683603 /nfs/dbraw/zinc/68/36/03/487683603.db2.gz ABADRQMBLOWTKL-RKDXNWHRSA-N 0 3 240.734 2.125 10 0 BEAEHN COc1ccc(CN[C@H]2C[C@H]2C)c(F)c1 ZINC000228597728 487684636 /nfs/dbraw/zinc/68/46/36/487684636.db2.gz RAQCCCVFACIBGL-PELKAZGASA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc([C@@H](N)CF)cc1Cl ZINC000306821711 262775631 /nfs/dbraw/zinc/77/56/31/262775631.db2.gz PMJDMECQABLWPR-QMMMGPOBSA-N 0 3 203.644 2.318 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCC[C@@H](O)C2)o1 ZINC000051724154 487783822 /nfs/dbraw/zinc/78/38/22/487783822.db2.gz APRVYTLTCHIPMU-GHMZBOCLSA-N 0 3 223.316 2.235 10 0 BEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000048769037 323154951 /nfs/dbraw/zinc/15/49/51/323154951.db2.gz KDGMEGSRTGYEIQ-CYBMUJFWSA-N 0 3 247.342 2.292 10 0 BEAEHN CSCCCCNCc1cncs1 ZINC000136174557 323181147 /nfs/dbraw/zinc/18/11/47/323181147.db2.gz MJEUODKFJWFEEZ-UHFFFAOYSA-N 0 3 216.375 2.376 10 0 BEAEHN NCc1nccc2c(F)cc(F)c(F)c21 ZINC000521401942 323201141 /nfs/dbraw/zinc/20/11/41/323201141.db2.gz SGAVOURRTUJNNX-UHFFFAOYSA-N 0 3 212.174 2.111 10 0 BEAEHN C[C@H]1CC[C@@H](O)CN1Cc1ccc(F)cc1 ZINC000399292583 323203123 /nfs/dbraw/zinc/20/31/23/323203123.db2.gz SMNBJBAVGQFGFS-GXFFZTMASA-N 0 3 223.291 2.171 10 0 BEAEHN COc1ccc(C)cc1CN1C[C@H](O)CC[C@@H]1C ZINC000399310286 323203338 /nfs/dbraw/zinc/20/33/38/323203338.db2.gz QVCKREMUELAQFP-GXTWGEPZSA-N 0 3 249.354 2.349 10 0 BEAEHN CC[C@@H](NCC1CC(O)C1)c1ccc(F)cn1 ZINC000161345752 323496138 /nfs/dbraw/zinc/49/61/38/323496138.db2.gz YWFIUWCMXICSDM-QEWOUOOISA-N 0 3 238.306 2.032 10 0 BEAEHN CC(C)c1ncc(CNCC[C@@H](C)O)s1 ZINC000132653523 325233209 /nfs/dbraw/zinc/23/32/09/325233209.db2.gz CQVLJFCYVRWZIN-SECBINFHSA-N 0 3 228.361 2.127 10 0 BEAEHN CCCCN(CC)CC(=O)NC(C)(C)C ZINC000052877693 488019058 /nfs/dbraw/zinc/01/90/58/488019058.db2.gz YOGRPKNNGURTAJ-UHFFFAOYSA-N 0 3 214.353 2.023 10 0 BEAEHN CC(C)[C@@H](NC(=O)[C@]1(C)CCCCN1)C1CC1 ZINC000324195402 487553771 /nfs/dbraw/zinc/55/37/71/487553771.db2.gz XIMACSCRYXTBRY-OCCSQVGLSA-N 0 3 238.375 2.069 10 0 BEAEHN CN(Cc1ccoc1)C[C@H]1CCC[C@@H](O)C1 ZINC000381690456 487520260 /nfs/dbraw/zinc/52/02/60/487520260.db2.gz ZQUNXPUTZLELFW-WCQYABFASA-N 0 3 223.316 2.263 10 0 BEAEHN Cc1cccc(CN(C)C[C@H]2CCC[C@@H](O)C2)n1 ZINC000386733515 487892928 /nfs/dbraw/zinc/89/29/28/487892928.db2.gz BGDCHCSEGQUMDH-DZGCQCFKSA-N 0 3 248.370 2.373 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000054073533 488205782 /nfs/dbraw/zinc/20/57/82/488205782.db2.gz YNNZCHADZHXWMJ-RNFRBKRXSA-N 0 3 246.763 2.187 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000037163967 490145980 /nfs/dbraw/zinc/14/59/80/490145980.db2.gz QYCFDFKNLCAOQB-NEPJUHHUSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2cc(F)ccc2F)C1 ZINC000037163974 490145999 /nfs/dbraw/zinc/14/59/99/490145999.db2.gz QYCFDFKNLCAOQB-NWDGAFQWSA-N 0 3 241.281 2.358 10 0 BEAEHN CC(C)[C@@H](C)N1CCN2CCCC[C@@H]2C1 ZINC000086929293 491065241 /nfs/dbraw/zinc/06/52/41/491065241.db2.gz DOENEUMWYMJDBD-CHWSQXEVSA-N 0 3 210.365 2.201 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NC(=O)Nc1cccc(CN)c1 ZINC000233303441 491121827 /nfs/dbraw/zinc/12/18/27/491121827.db2.gz ZLRAISBCGPSHIN-YPMHNXCESA-N 0 3 247.342 2.455 10 0 BEAEHN COc1cccc([C@@H](C)NC2CSC2)c1 ZINC000215965968 491124807 /nfs/dbraw/zinc/12/48/07/491124807.db2.gz LKIIREOFXJQPRZ-SECBINFHSA-N 0 3 223.341 2.461 10 0 BEAEHN C[C@@H](NCC[C@H]1CCCO1)c1cncs1 ZINC000132339609 491135239 /nfs/dbraw/zinc/13/52/39/491135239.db2.gz RAEGWEUXRQSAGP-NXEZZACHSA-N 0 3 226.345 2.363 10 0 BEAEHN CCC1(CC)CN[C@]2(COC(C)(C)C2)OC1 ZINC000757151786 582536234 /nfs/dbraw/zinc/53/62/34/582536234.db2.gz TVQWEDPHPILVTH-ZDUSSCGKSA-N 0 3 227.348 2.308 10 0 BEAEHN CC[C@@H](C)N1CCN(c2cccc(N)c2)CC1 ZINC000020265174 535566496 /nfs/dbraw/zinc/56/64/96/535566496.db2.gz DHBFMPPCHWETTO-GFCCVEGCSA-N 0 3 233.359 2.189 10 0 BEAEHN CNCc1cccnc1N1CCCC[C@H]1C ZINC000051399344 536470870 /nfs/dbraw/zinc/47/08/70/536470870.db2.gz CXVGFXYYMWILHK-LLVKDONJSA-N 0 3 219.332 2.180 10 0 BEAEHN CNCc1cc(N2CC[C@H](C)C[C@H]2C)ccn1 ZINC000051748750 536468858 /nfs/dbraw/zinc/46/88/58/536468858.db2.gz JEWNBMXEJWMFOH-NWDGAFQWSA-N 0 3 233.359 2.426 10 0 BEAEHN CNCc1cc(F)ccc1N1CCSCC1 ZINC000037236486 536468955 /nfs/dbraw/zinc/46/89/55/536468955.db2.gz CGIAFQZOBVKRQS-UHFFFAOYSA-N 0 3 240.347 2.098 10 0 BEAEHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000214949213 535059208 /nfs/dbraw/zinc/05/92/08/535059208.db2.gz FCZRQKWTNYPHEB-AVGNSLFASA-N 0 3 240.391 2.301 10 0 BEAEHN CC(C)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252662137 535140791 /nfs/dbraw/zinc/14/07/91/535140791.db2.gz VBFKZBKDFGZFOU-OLZOCXBDSA-N 0 3 210.365 2.201 10 0 BEAEHN CCNCc1ccc(N2C[C@H](C)C[C@H](C)C2)nn1 ZINC000051435696 535479570 /nfs/dbraw/zinc/47/95/70/535479570.db2.gz IMBSJLRIEYLBIR-TXEJJXNPSA-N 0 3 248.374 2.068 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC000176994816 535584247 /nfs/dbraw/zinc/58/42/47/535584247.db2.gz IXDJJPNZRQAHLU-LBPRGKRZSA-N 0 3 240.391 2.365 10 0 BEAEHN CC[C@@H](O)CN1CCC[C@H]1c1ccco1 ZINC000173758240 535812743 /nfs/dbraw/zinc/81/27/43/535812743.db2.gz OMPAAYDBFXWUNV-MNOVXSKESA-N 0 3 209.289 2.187 10 0 BEAEHN CN(C)CCN1CCCc2ccccc21 ZINC000001622061 535873560 /nfs/dbraw/zinc/87/35/60/535873560.db2.gz IVHOSOFUEVLNPA-UHFFFAOYSA-N 0 3 204.317 2.001 10 0 BEAEHN CC[C@H](CC(=O)N1CC[C@H](N(C)C)C1)C(C)C ZINC000171508566 536063694 /nfs/dbraw/zinc/06/36/94/536063694.db2.gz UXLZFGKFJXJLNT-OLZOCXBDSA-N 0 3 240.391 2.221 10 0 BEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CCSC ZINC000086929616 536162185 /nfs/dbraw/zinc/16/21/85/536162185.db2.gz PSSMYUISDWGELX-QWHCGFSZSA-N 0 3 242.432 2.298 10 0 BEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1ccon1 ZINC000251704296 536164358 /nfs/dbraw/zinc/16/43/58/536164358.db2.gz JDBBDSNCBMWHMA-KBPBESRZSA-N 0 3 249.358 2.123 10 0 BEAEHN CN[C@@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962737 536351189 /nfs/dbraw/zinc/35/11/89/536351189.db2.gz HGBBKBFUOYSIPJ-JTQLQIEISA-N 0 3 234.347 2.056 10 0 BEAEHN COc1ccc(Cl)cc1N1CCN[C@@H](C)C1 ZINC000054348246 536567212 /nfs/dbraw/zinc/56/72/12/536567212.db2.gz CMNSWFLFMWHMDG-VIFPVBQESA-N 0 3 240.734 2.147 10 0 BEAEHN COC1(CN2CCO[C@H]3CCCC[C@H]32)CCC1 ZINC000336187006 536629898 /nfs/dbraw/zinc/62/98/98/536629898.db2.gz KQLRZAYCBRPOBX-OLZOCXBDSA-N 0 3 239.359 2.199 10 0 BEAEHN CCN(CCOC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000216967148 588825733 /nfs/dbraw/zinc/82/57/33/588825733.db2.gz OPEJPMSBYDMHAN-TZMCWYRMSA-N 0 3 237.343 2.077 10 0 BEAEHN CC(C)(C)[C@@H]1CCO[C@@]2(COC(C)(C)C2)N1 ZINC000757141423 582521836 /nfs/dbraw/zinc/52/18/36/582521836.db2.gz PBRLTCCDXGICSJ-GWCFXTLKSA-N 0 3 227.348 2.306 10 0 BEAEHN C1C[C@@]2(CS1)NCC1(CCCCC1)CO2 ZINC000757143724 582523884 /nfs/dbraw/zinc/52/38/84/582523884.db2.gz FGAYTPDXXACNRW-GFCCVEGCSA-N 0 3 227.373 2.390 10 0 BEAEHN C[C@@H]1C[C@@H](C)OC2(CC(CF)(CF)C2)N1 ZINC000757144686 582525399 /nfs/dbraw/zinc/52/53/99/582525399.db2.gz HBESDEZJIREZHZ-RKDXNWHRSA-N 0 3 219.275 2.189 10 0 BEAEHN CC(C)[C@@H]1N[C@@]2(CCSC2)OCC1(C)C ZINC000757144792 582525317 /nfs/dbraw/zinc/52/53/17/582525317.db2.gz HISMWOVUOUALRJ-JQWIXIFHSA-N 0 3 229.389 2.490 10 0 BEAEHN CCC1(CC)CCN[C@@]2(COC(C)(C)C2)O1 ZINC000757150219 582533752 /nfs/dbraw/zinc/53/37/52/582533752.db2.gz XICMVVCJNYCKTN-CYBMUJFWSA-N 0 3 227.348 2.450 10 0 BEAEHN Cc1cc(CN(C)CC(N)=S)ccc1Cl ZINC000757160570 582543998 /nfs/dbraw/zinc/54/39/98/582543998.db2.gz ROEAKEZNEOOYTC-UHFFFAOYSA-N 0 3 242.775 2.366 10 0 BEAEHN CCN1C[C@@H](C)[C@H](NCc2ccc(C)o2)C1 ZINC000393736917 582921546 /nfs/dbraw/zinc/92/15/46/582921546.db2.gz CLMBWRKXTQDPKU-ZWNOBZJWSA-N 0 3 222.332 2.018 10 0 BEAEHN CCN(CCOC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000216967133 583171123 /nfs/dbraw/zinc/17/11/23/583171123.db2.gz OPEJPMSBYDMHAN-GXTWGEPZSA-N 0 3 237.343 2.077 10 0 BEAEHN CC(C)N1CCC=C(c2ccc(C(N)=O)cc2)C1 ZINC000757572678 586463024 /nfs/dbraw/zinc/46/30/24/586463024.db2.gz SNZJPWSQYMBDIR-UHFFFAOYSA-N 0 3 244.338 2.283 10 0 BEAEHN O=C(O[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000117101495 589074502 /nfs/dbraw/zinc/07/45/02/589074502.db2.gz SSIYTEZJZWJGLY-AWEZNQCLSA-N 0 3 245.322 2.214 10 0 BEAEHN C[C@@H]1CN(CC2(O)CCCCC2)CC(C)(C)O1 ZINC000106383869 588269473 /nfs/dbraw/zinc/26/94/73/588269473.db2.gz JODNHWGHBMXKRX-GFCCVEGCSA-N 0 3 241.375 2.181 10 0 BEAEHN C[C@H](CN1CCCC1)OC(=O)/C=C\c1ccco1 ZINC000847848819 588337007 /nfs/dbraw/zinc/33/70/07/588337007.db2.gz WBVUULMKYNVCAE-ZHRWSRJISA-N 0 3 249.310 2.320 10 0 BEAEHN CC(=O)CCN(C)CCN(C)c1ccccc1 ZINC000107681657 588398634 /nfs/dbraw/zinc/39/86/34/588398634.db2.gz SAAWIYUMUVOWHI-UHFFFAOYSA-N 0 3 234.343 2.034 10 0 BEAEHN O[C@@H](CN[C@H]1CSc2ccccc21)C1CC1 ZINC000123557946 589752523 /nfs/dbraw/zinc/75/25/23/589752523.db2.gz ZISYMJHAVGVRGG-RYUDHWBXSA-N 0 3 235.352 2.194 10 0 BEAEHN CC[C@@H](C)NC(=O)[C@@H](C)NCCc1ccccc1 ZINC000020364212 590104832 /nfs/dbraw/zinc/10/48/32/590104832.db2.gz MMCKBFXELFGFLY-CHWSQXEVSA-N 0 3 248.370 2.122 10 0 BEAEHN CSCC[C@@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000125025767 590114421 /nfs/dbraw/zinc/11/44/21/590114421.db2.gz IBSZBOWCZXYWSJ-SECBINFHSA-N 0 3 240.372 2.327 10 0 BEAEHN CC(C)(C)C[C@@H](CO)NCc1ccoc1 ZINC000125106948 590120812 /nfs/dbraw/zinc/12/08/12/590120812.db2.gz AYSIUOQAAZHXGA-NSHDSACASA-N 0 3 211.305 2.166 10 0 BEAEHN CC[C@@H](NCc1ccoc1)[C@H]1CCCO1 ZINC000126312513 590272787 /nfs/dbraw/zinc/27/27/87/590272787.db2.gz VQYBROFGLVJERR-VXGBXAGGSA-N 0 3 209.289 2.327 10 0 BEAEHN CO[C@@H]1CCC[C@@H]1NCc1occc1C ZINC000126732709 590429158 /nfs/dbraw/zinc/42/91/58/590429158.db2.gz RFVVJPSIOZYWHJ-WDEREUQCSA-N 0 3 209.289 2.245 10 0 BEAEHN COC(=O)/C(C)=C\CN1CCCCC[C@H]1C ZINC000214563790 591634781 /nfs/dbraw/zinc/63/47/81/591634781.db2.gz AKRFPAJHWURNSC-NXIHDVOMSA-N 0 3 225.332 2.370 10 0 BEAEHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CCC(C)=O ZINC000133435074 591792194 /nfs/dbraw/zinc/79/21/94/591792194.db2.gz IQMAZMXZEPTFDA-QWHCGFSZSA-N 0 3 241.375 2.491 10 0 BEAEHN C[C@@H](NCC[S@](C)=O)c1cccc(Cl)c1 ZINC000133820727 591862718 /nfs/dbraw/zinc/86/27/18/591862718.db2.gz HUVOPEBUIBDSSJ-RFAUZJTJSA-N 0 3 245.775 2.369 10 0 BEAEHN Cc1cnc([C@H](C)Nc2cc(C)nc(N)n2)s1 ZINC000134931083 591962079 /nfs/dbraw/zinc/96/20/79/591962079.db2.gz DLNWVTPGBHRXEY-QMMMGPOBSA-N 0 3 249.343 2.305 10 0 BEAEHN CO[C@H]1CCC[C@@H]1NCc1cnccc1C ZINC000135458233 592012122 /nfs/dbraw/zinc/01/21/22/592012122.db2.gz WXWDCELNKFPXSL-STQMWFEESA-N 0 3 220.316 2.047 10 0 BEAEHN C[C@H](CNC(=O)[C@]1(C)CCCCN1)C(C)(C)C ZINC000136188479 592100673 /nfs/dbraw/zinc/10/06/73/592100673.db2.gz UUFLPVNNAAWZPA-RISCZKNCSA-N 0 3 240.391 2.317 10 0 BEAEHN FC1(F)CC[C@H](c2noc([C@H]3CCCN3)n2)C1 ZINC000302392737 592547960 /nfs/dbraw/zinc/54/79/60/592547960.db2.gz POTMBQVYXRLKIB-JGVFFNPUSA-N 0 3 243.257 2.397 10 0 BEAEHN C[C@H](N[C@@H]1CCc2cccnc21)[C@H]1CCCO1 ZINC000299930353 634401795 /nfs/dbraw/zinc/40/17/95/634401795.db2.gz YTLRHYWYSHSMAD-CYZMBNFOSA-N 0 3 232.327 2.226 10 0 BEAEHN CCN1CC[C@@H](N[C@@H](C)c2c(C)noc2C)C1 ZINC000328177719 633734286 /nfs/dbraw/zinc/73/42/86/633734286.db2.gz LQNFNEPSCRABKM-JOYOIKCWSA-N 0 3 237.347 2.036 10 0 BEAEHN c1cc(CNCCN2CCc3ccccc32)co1 ZINC000053344381 634171010 /nfs/dbraw/zinc/17/10/10/634171010.db2.gz KLQJTPNNFAFACL-UHFFFAOYSA-N 0 3 242.322 2.432 10 0 BEAEHN C[C@@H](NCc1cc(Cl)ccc1F)[C@H](C)O ZINC000336764591 634250998 /nfs/dbraw/zinc/25/09/98/634250998.db2.gz QGXQKSIZZBTQHN-SFYZADRCSA-N 0 3 231.698 2.338 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccoc1 ZINC000162905689 635177143 /nfs/dbraw/zinc/17/71/43/635177143.db2.gz BVSANWJYIKVISR-TZMCWYRMSA-N 0 3 234.343 2.338 10 0 BEAEHN Cc1cc([C@H](C)N[C@H](C)[C@H](C)O)oc1C ZINC000336756639 635282983 /nfs/dbraw/zinc/28/29/83/635282983.db2.gz IWPFZAWNWGKLRB-UTLUCORTSA-N 0 3 211.305 2.316 10 0 BEAEHN COc1ccc([C@H](C)N[C@H](C)[C@@H](C)O)c(F)c1 ZINC000348310550 638997575 /nfs/dbraw/zinc/99/75/75/638997575.db2.gz CGSVYWCEVLVNOJ-KXUCPTDWSA-N 0 3 241.306 2.254 10 0 BEAEHN CCC[C@H](N)c1nc(-c2cccs2)nn1C ZINC000054699738 640320306 /nfs/dbraw/zinc/32/03/06/640320306.db2.gz JUWLEJLKTTTYAC-QMMMGPOBSA-N 0 3 236.344 2.344 10 0 BEAEHN CCC[C@@H](N)c1nc(C2CCCC2)nn1C ZINC000054699133 640320910 /nfs/dbraw/zinc/32/09/10/640320910.db2.gz WOOSCWIZHKEPIF-SNVBAGLBSA-N 0 3 222.336 2.273 10 0 BEAEHN Cn1nc(C2CCCCC2)nc1C(C)(C)N ZINC000054699383 640321784 /nfs/dbraw/zinc/32/17/84/640321784.db2.gz PNLPGASURSJXPR-UHFFFAOYSA-N 0 3 222.336 2.057 10 0 BEAEHN CCC[C@@H](N)c1nc(-c2cccs2)nn1C ZINC000054699739 640321888 /nfs/dbraw/zinc/32/18/88/640321888.db2.gz JUWLEJLKTTTYAC-MRVPVSSYSA-N 0 3 236.344 2.344 10 0 BEAEHN C1CN[C@@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000087699714 640976554 /nfs/dbraw/zinc/97/65/54/640976554.db2.gz AWCMYEPLEOWLCP-SFYZADRCSA-N 0 3 225.317 2.062 10 0 BEAEHN C[C@H]1CN(CCCCCCCO)C[C@H](C)O1 ZINC000173453514 641178186 /nfs/dbraw/zinc/17/81/86/641178186.db2.gz QXQMYCVGFMAVDQ-STQMWFEESA-N 0 3 229.364 2.038 10 0 BEAEHN c1cc2c(s1)[C@H](c1ccncc1)NCC2 ZINC000084483337 641359531 /nfs/dbraw/zinc/35/95/31/641359531.db2.gz OJSFUBLAYKCIKY-NSHDSACASA-N 0 3 216.309 2.378 10 0 BEAEHN CC1(C)C[C@H]1c1noc([C@@H]2CCCN2)n1 ZINC000232863222 641885183 /nfs/dbraw/zinc/88/51/83/641885183.db2.gz DHGBQOLPJJFHDA-YUMQZZPRSA-N 0 3 207.277 2.008 10 0 BEAEHN CC(C)(C)Cc1noc([C@@]2(C)CCCN2)n1 ZINC000070617942 642437153 /nfs/dbraw/zinc/43/71/53/642437153.db2.gz MALXSGZUPQIOFB-GFCCVEGCSA-N 0 3 223.320 2.257 10 0 BEAEHN COC(=O)C[C@H](N)c1ccc(C)cc1Cl ZINC000238361094 642804958 /nfs/dbraw/zinc/80/49/58/642804958.db2.gz PSNZLHQOVKRERO-JTQLQIEISA-N 0 3 227.691 2.211 10 0 BEAEHN C[C@H]1C[C@@H](N)[C@](F)(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000757182468 643357847 /nfs/dbraw/zinc/35/78/47/643357847.db2.gz JIIRQWJMCSLJOP-COMAGPEQSA-N 0 3 245.338 2.430 10 0 BEAEHN COc1ccccc1OCCNCc1ccoc1 ZINC000053567023 643659347 /nfs/dbraw/zinc/65/93/47/643659347.db2.gz SQKTZIKTPMAHEM-UHFFFAOYSA-N 0 3 247.294 2.457 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccoc1 ZINC000252738530 644896923 /nfs/dbraw/zinc/89/69/23/644896923.db2.gz BVSANWJYIKVISR-JSGCOSHPSA-N 0 3 234.343 2.338 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[S@](C)=O)cc1F ZINC000133802270 645867390 /nfs/dbraw/zinc/86/73/90/645867390.db2.gz DIKLNNGRBZWHOA-QLJPJBMISA-N 0 3 243.347 2.163 10 0 BEAEHN C[C@@]1(O)CCCN(CCSC(F)(F)F)C1 ZINC000123715228 645920778 /nfs/dbraw/zinc/92/07/78/645920778.db2.gz YCYYJOGQQHPOIQ-MRVPVSSYSA-N 0 3 243.294 2.086 10 0 BEAEHN COCc1nc(CNC[C@@H]2C=CCC2)cs1 ZINC000711681956 712316923 /nfs/dbraw/zinc/31/69/23/712316923.db2.gz ZCOMCUPUVHKPKU-SNVBAGLBSA-N 0 3 238.356 2.345 10 0 BEAEHN Cc1c(CNC2(C)CC(F)(F)C2)cnn1C ZINC000720949851 712881819 /nfs/dbraw/zinc/88/18/19/712881819.db2.gz RSBUIYOTFOZVRZ-UHFFFAOYSA-N 0 3 229.274 2.006 10 0 BEAEHN CCCCCCNc1cc(C)nc(N)n1 ZINC000038586029 710687303 /nfs/dbraw/zinc/68/73/03/710687303.db2.gz MPRYYGUHSJVJLH-UHFFFAOYSA-N 0 3 208.309 2.359 10 0 BEAEHN Cc1cnc(CN[C@@H]2CCSC2)c(C)c1 ZINC000724047702 711557381 /nfs/dbraw/zinc/55/73/81/711557381.db2.gz JVNAXLCEOYLZNU-LLVKDONJSA-N 0 3 222.357 2.294 10 0 BEAEHN Cc1cnc(CN[C@H]2CO[C@H](C3CC3)C2)c(C)c1 ZINC000724094891 711560497 /nfs/dbraw/zinc/56/04/97/711560497.db2.gz CQVBSEOWAMUISB-HIFRSBDPSA-N 0 3 246.354 2.356 10 0 BEAEHN CSC1CC(NCc2ccc(C)cn2)C1 ZINC000706887636 712159008 /nfs/dbraw/zinc/15/90/08/712159008.db2.gz KLOOVIDVYFXDDS-UHFFFAOYSA-N 0 3 222.357 2.374 10 0 BEAEHN CSC1CC(NCc2ccns2)C1 ZINC000706887706 712159055 /nfs/dbraw/zinc/15/90/55/712159055.db2.gz LPOKBRJZFGZPTP-UHFFFAOYSA-N 0 3 214.359 2.127 10 0 BEAEHN CSC1CC([NH2+]Cc2nc(C)ccc2[O-])C1 ZINC000708290262 712185777 /nfs/dbraw/zinc/18/57/77/712185777.db2.gz USRGABCKPULYOX-UHFFFAOYSA-N 0 3 238.356 2.079 10 0 BEAEHN CCCn1cc(CN[C@@H](CC)C(C)C)nn1 ZINC000714487346 712492249 /nfs/dbraw/zinc/49/22/49/712492249.db2.gz MLSUFFGYEOQVJK-LBPRGKRZSA-N 0 3 224.352 2.212 10 0 BEAEHN C[C@@H](NCCOC1CC1)c1cncc(F)c1 ZINC000714985640 712502892 /nfs/dbraw/zinc/50/28/92/712502892.db2.gz KMUGGIODQQIYIA-SECBINFHSA-N 0 3 224.279 2.050 10 0 BEAEHN CCn1c(C)nnc1CNC1(C2CC2)CCC1 ZINC000717842710 712692363 /nfs/dbraw/zinc/69/23/63/712692363.db2.gz HWBLTCOEXPFLMJ-UHFFFAOYSA-N 0 3 234.347 2.029 10 0 BEAEHN Cc1conc1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000720365531 712835942 /nfs/dbraw/zinc/83/59/42/712835942.db2.gz CCDSJSXBHQSCNH-STQMWFEESA-N 0 3 249.358 2.042 10 0 BEAEHN C[C@H](N[C@@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592197 712855865 /nfs/dbraw/zinc/85/58/65/712855865.db2.gz UMVXUZVWBGQXNS-CMPLNLGQSA-N 0 3 234.347 2.189 10 0 BEAEHN C[C@@H]1CCC[C@H](N(C)CN2CCOC2=S)C1 ZINC000124598358 1168382168 /nfs/dbraw/zinc/38/21/68/1168382168.db2.gz BFOPEMZMJMBCAG-MNOVXSKESA-N 0 3 242.388 2.072 10 0 BEAEHN CCc1ccccc1CN[C@H]1CCCCNC1=O ZINC000052201489 1171949005 /nfs/dbraw/zinc/94/90/05/1171949005.db2.gz WDLLBZUAZRHOIG-AWEZNQCLSA-N 0 3 246.354 2.007 10 0 BEAEHN CCNCc1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685958695 538906442 /nfs/dbraw/zinc/90/64/42/538906442.db2.gz DSANXKOUDDVOFJ-UHFFFAOYSA-N 0 3 242.537 2.346 10 0 BEAEHN CCNCc1cnc(C(Cl)(Cl)Cl)[nH]1 ZINC000685958695 538906443 /nfs/dbraw/zinc/90/64/43/538906443.db2.gz DSANXKOUDDVOFJ-UHFFFAOYSA-N 0 3 242.537 2.346 10 0 BEAEHN CN[C@@H](C)C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962436 538908932 /nfs/dbraw/zinc/90/89/32/538908932.db2.gz IBIXXPRIDCGSQH-OLZOCXBDSA-N 0 3 249.354 2.406 10 0 BEAEHN C=Cn1cc(CN[C@@H]2C[C@H]2CCC)cn1 ZINC000219389581 192025827 /nfs/dbraw/zinc/02/58/27/192025827.db2.gz KXRRXVYUCNLLHW-VXGBXAGGSA-N 0 3 205.305 2.262 10 0 BEAEHN CC(C)(C)N1CCOCC[C@H]1c1ccc(N)nc1 ZINC000616598047 398145742 /nfs/dbraw/zinc/14/57/42/398145742.db2.gz MRKXZEQPFVHPQK-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN OCC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC000161599960 349484349 /nfs/dbraw/zinc/48/43/49/349484349.db2.gz BZFSVVBUJKLRFT-LLVKDONJSA-N 0 3 223.291 2.030 10 0 BEAEHN Cc1cc(CN[C@H]2CCO[C@@H]2C)cs1 ZINC000285817392 178039532 /nfs/dbraw/zinc/03/95/32/178039532.db2.gz HTYKYMDNYLVUTJ-KOLCDFICSA-N 0 3 211.330 2.324 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1snnc1C ZINC000379657527 398160474 /nfs/dbraw/zinc/16/04/74/398160474.db2.gz MNHKERVLNGBVCS-IUCAKERBSA-N 0 3 211.334 2.125 10 0 BEAEHN CCC(CC)(CC)NCc1nnnn1C(C)C ZINC000118989960 398190746 /nfs/dbraw/zinc/19/07/46/398190746.db2.gz HLKWRUWTFXUSGV-UHFFFAOYSA-N 0 3 239.367 2.312 10 0 BEAEHN Cc1cnc([C@H](C)NC[C@@H]2CCCN2C)s1 ZINC000386253346 398202848 /nfs/dbraw/zinc/20/28/48/398202848.db2.gz SFRHTISLCRBCIT-QWRGUYRKSA-N 0 3 239.388 2.196 10 0 BEAEHN Cc1cnc([C@@H](C)NC[C@@H]2CCCN2C)s1 ZINC000386253345 398202859 /nfs/dbraw/zinc/20/28/59/398202859.db2.gz SFRHTISLCRBCIT-MNOVXSKESA-N 0 3 239.388 2.196 10 0 BEAEHN Cc1cc(NC(=O)[C@@](C)(N)C2CC2)ccc1F ZINC000061119356 178147121 /nfs/dbraw/zinc/14/71/21/178147121.db2.gz XHYDHMIBMUQAIP-ZDUSSCGKSA-N 0 3 236.290 2.200 10 0 BEAEHN Cc1cc(NCc2ccc3c(c2)CNC3)ncn1 ZINC000097829689 178173813 /nfs/dbraw/zinc/17/38/13/178173813.db2.gz PNFQOKQBBAIPBV-UHFFFAOYSA-N 0 3 240.310 2.000 10 0 BEAEHN Cc1cc(NN)nc(Cc2ccc(Cl)cc2)n1 ZINC000051152282 178177761 /nfs/dbraw/zinc/17/77/61/178177761.db2.gz NKEZZUCECXPCLM-UHFFFAOYSA-N 0 3 248.717 2.315 10 0 BEAEHN C[C@H](N)c1csc(CC(F)(F)F)n1 ZINC000070840010 361782158 /nfs/dbraw/zinc/78/21/58/361782158.db2.gz VMROLCVUHCITTM-BYPYZUCNSA-N 0 3 210.224 2.268 10 0 BEAEHN Cc1cc([C@H](C)NC(C)(C)C(N)=O)c(C)s1 ZINC000040674392 178245529 /nfs/dbraw/zinc/24/55/29/178245529.db2.gz JPWRDEYLAZYOGU-QMMMGPOBSA-N 0 3 240.372 2.279 10 0 BEAEHN Cc1cc2c(cc1C)[S@](=O)CCC[C@@H]2N ZINC000040974996 178287097 /nfs/dbraw/zinc/28/70/97/178287097.db2.gz WONRZYBSIWCUNT-NHYWBVRUSA-N 0 3 223.341 2.205 10 0 BEAEHN COc1c(CNC[C@H]2CC=CCC2)c(C)nn1C ZINC000134150120 398240593 /nfs/dbraw/zinc/24/05/93/398240593.db2.gz AYEVJOJPCFPJJU-LBPRGKRZSA-N 0 3 249.358 2.183 10 0 BEAEHN Cc1cc2nc(C(C)(C)N)[nH]c2cc1C ZINC000051848086 178300667 /nfs/dbraw/zinc/30/06/67/178300667.db2.gz VOQMQSVMEHWMAS-UHFFFAOYSA-N 0 3 203.289 2.374 10 0 BEAEHN Cc1ccc(-c2n[nH]c3c2CN(C)CC3)cc1 ZINC000028022542 178316758 /nfs/dbraw/zinc/31/67/58/178316758.db2.gz VCSQYSFKBXAEFY-UHFFFAOYSA-N 0 3 227.311 2.373 10 0 BEAEHN CCC(CC)N(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC000037504892 168367163 /nfs/dbraw/zinc/36/71/63/168367163.db2.gz BIAFAZMZTKJRQI-AWEZNQCLSA-N 0 3 248.370 2.203 10 0 BEAEHN CCC(CC)N(C)C(=O)c1cccc(CN)c1 ZINC000036788532 168367420 /nfs/dbraw/zinc/36/74/20/168367420.db2.gz IWSJXLUVLCLKQF-UHFFFAOYSA-N 0 3 234.343 2.406 10 0 BEAEHN Cc1c(CN)cnn1-c1ccc(C)cc1C ZINC000048218334 178349284 /nfs/dbraw/zinc/34/92/84/178349284.db2.gz DQDLIWQCYMKMQV-UHFFFAOYSA-N 0 3 215.300 2.256 10 0 BEAEHN C[C@@H]1NCCO[C@@H]1c1cccc(Cl)c1 ZINC000037405043 538962889 /nfs/dbraw/zinc/96/28/89/538962889.db2.gz BOFUZZAQNVYZFF-KWQFWETISA-N 0 3 211.692 2.389 10 0 BEAEHN Cc1ccc2c(cccc2N2CCN[C@@H](C)C2)n1 ZINC000083369690 398278127 /nfs/dbraw/zinc/27/81/27/398278127.db2.gz MYNPYFPLJSFGGY-LBPRGKRZSA-N 0 3 241.338 2.341 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1ccco1 ZINC000037165960 538961748 /nfs/dbraw/zinc/96/17/48/538961748.db2.gz QYLRZEGIXWRCLA-AXFHLTTASA-N 0 3 209.289 2.234 10 0 BEAEHN Cc1cc2c(c(Br)c1)OC[C@H]2N ZINC000035653842 342754139 /nfs/dbraw/zinc/75/41/39/342754139.db2.gz RDKIDNXSTFYSBI-MRVPVSSYSA-N 0 3 228.089 2.150 10 0 BEAEHN COc1ccc2c(c1)CC[C@@]1(CCCCN1)C2=O ZINC000146586305 342770005 /nfs/dbraw/zinc/77/00/05/342770005.db2.gz GBSSQDLOVJWBJA-HNNXBMFYSA-N 0 3 245.322 2.336 10 0 BEAEHN Cn1ccnc1NCc1cccc(F)c1 ZINC000008699740 342802535 /nfs/dbraw/zinc/80/25/35/342802535.db2.gz JNWFELRZCGGAPE-UHFFFAOYSA-N 0 3 205.236 2.171 10 0 BEAEHN N[C@H]1COc2c1cc(Cl)cc2Cl ZINC000008699628 342802639 /nfs/dbraw/zinc/80/26/39/342802639.db2.gz OKEOLIUJGZJCIX-ZETCQYMHSA-N 0 3 204.056 2.386 10 0 BEAEHN COCc1nc(CNC[C@H]2CC2(C)C)cs1 ZINC000309684450 342787744 /nfs/dbraw/zinc/78/77/44/342787744.db2.gz GZSZJQCDGLLLRV-SECBINFHSA-N 0 3 240.372 2.425 10 0 BEAEHN N[C@H](c1ccsn1)C1CCSCC1 ZINC000401488842 342827065 /nfs/dbraw/zinc/82/70/65/342827065.db2.gz WRBODNVFUUHTTP-VIFPVBQESA-N 0 3 214.359 2.286 10 0 BEAEHN CC(C)CNCc1nc(CN2CCC2)cs1 ZINC000390605701 539026521 /nfs/dbraw/zinc/02/65/21/539026521.db2.gz XOLYQZGOFWEGJZ-UHFFFAOYSA-N 0 3 239.388 2.094 10 0 BEAEHN CC[C@@](C)(OC)[C@H]1NCCc2occc21 ZINC000709945850 539027896 /nfs/dbraw/zinc/02/78/96/539027896.db2.gz WWXKPCBQSXIIAK-NWDGAFQWSA-N 0 3 209.289 2.282 10 0 BEAEHN N[C@@]1(c2sccc2Cl)CCCOC1 ZINC000229927364 342855690 /nfs/dbraw/zinc/85/56/90/342855690.db2.gz FRQMQQPJTTUGFM-VIFPVBQESA-N 0 3 217.721 2.366 10 0 BEAEHN CS[C@H]1CCC[C@H](NCc2cncnc2)C1 ZINC000117393723 398311488 /nfs/dbraw/zinc/31/14/88/398311488.db2.gz RWYUTHGVVSMAQF-RYUDHWBXSA-N 0 3 237.372 2.240 10 0 BEAEHN N[C@@H]1CSCc2cc(F)cc(F)c21 ZINC000165053569 342872175 /nfs/dbraw/zinc/87/21/75/342872175.db2.gz YURPOXJXYMGNJX-MRVPVSSYSA-N 0 3 201.241 2.211 10 0 BEAEHN N[C@H]1CSCc2cc(F)cc(F)c21 ZINC000165053451 342872194 /nfs/dbraw/zinc/87/21/94/342872194.db2.gz YURPOXJXYMGNJX-QMMMGPOBSA-N 0 3 201.241 2.211 10 0 BEAEHN C[C@](F)(CN)Cc1cc(F)cc(F)c1 ZINC000165061824 342873349 /nfs/dbraw/zinc/87/33/49/342873349.db2.gz MFOHBRQIDWCXKL-SNVBAGLBSA-N 0 3 203.207 2.194 10 0 BEAEHN C[C@@H]1CN(c2sccc2Cl)CCN1 ZINC000229947125 342858381 /nfs/dbraw/zinc/85/83/81/342858381.db2.gz MXOIZTWJCXYSIX-SSDOTTSWSA-N 0 3 216.737 2.200 10 0 BEAEHN NCc1c(Br)cccc1NC1CC1 ZINC000164949773 342860542 /nfs/dbraw/zinc/86/05/42/342860542.db2.gz XBYNGODFUZDZOW-UHFFFAOYSA-N 0 3 241.132 2.482 10 0 BEAEHN N[C@H]1CCOc2ccc(C(F)(F)F)cc21 ZINC000016082998 342905897 /nfs/dbraw/zinc/90/58/97/342905897.db2.gz UPEDVFHMBQZINU-QMMMGPOBSA-N 0 3 217.190 2.488 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000047980083 342930365 /nfs/dbraw/zinc/93/03/65/342930365.db2.gz YVGZXEAEUBHFKN-SSDOTTSWSA-N 0 3 246.232 2.252 10 0 BEAEHN CC[C@H](N)c1coc(Br)c1 ZINC000238320085 398338589 /nfs/dbraw/zinc/33/85/89/398338589.db2.gz HKFIFIBCVZAWTA-LURJTMIESA-N 0 3 204.067 2.452 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000037765415 398334270 /nfs/dbraw/zinc/33/42/70/398334270.db2.gz ITFRPVOKVAOERY-DGCLKSJQSA-N 0 3 234.343 2.218 10 0 BEAEHN c1cc2c(c(CNCC[C@H]3CCCO3)c1)OCO2 ZINC000037991374 398335470 /nfs/dbraw/zinc/33/54/70/398335470.db2.gz VDMABBAEXKFQSN-GFCCVEGCSA-N 0 3 249.310 2.074 10 0 BEAEHN CCc1nnc(CN[C@H]2CCCC[C@@H]2C)n1C ZINC000162375439 349677295 /nfs/dbraw/zinc/67/72/95/349677295.db2.gz NUZCRLULROUBGL-QWRGUYRKSA-N 0 3 236.363 2.046 10 0 BEAEHN CCC(CC)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158837178 398341563 /nfs/dbraw/zinc/34/15/63/398341563.db2.gz JTMQCCDPGLUWAN-WCQYABFASA-N 0 3 240.391 2.268 10 0 BEAEHN CC(C)CN1C[C@H](N)c2cc(F)ccc21 ZINC000019795820 342958331 /nfs/dbraw/zinc/95/83/31/342958331.db2.gz BOJBTFAOPRSYFI-NSHDSACASA-N 0 3 208.280 2.302 10 0 BEAEHN Cc1ccc(C)c(Cn2cnc(CN)c2)c1 ZINC000071519344 178478303 /nfs/dbraw/zinc/47/83/03/178478303.db2.gz XIXKDXSIYGOISJ-UHFFFAOYSA-N 0 3 215.300 2.007 10 0 BEAEHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC000042205078 342995738 /nfs/dbraw/zinc/99/57/38/342995738.db2.gz NVFDGSNBFSLHNN-RYUDHWBXSA-N 0 3 246.354 2.313 10 0 BEAEHN Cc1ccc(CN)c(OCc2ccccc2)n1 ZINC000043396106 343062713 /nfs/dbraw/zinc/06/27/13/343062713.db2.gz MHIGPPAESXKCQE-UHFFFAOYSA-N 0 3 228.295 2.428 10 0 BEAEHN N[C@H](CO)c1cccc(C(F)(F)F)c1Cl ZINC000072198896 343068901 /nfs/dbraw/zinc/06/89/01/343068901.db2.gz JOXZGGCLGYXDON-SSDOTTSWSA-N 0 3 239.624 2.351 10 0 BEAEHN CC[C@@H]1CSC(NC[C@@H]2CCSC2)=N1 ZINC000228589085 362006254 /nfs/dbraw/zinc/00/62/54/362006254.db2.gz NBSQGOYCBSLPHG-DTWKUNHWSA-N 0 3 230.402 2.211 10 0 BEAEHN Nc1cnc2ccc(OC(F)(F)F)cc2c1N ZINC000584882272 343084701 /nfs/dbraw/zinc/08/47/01/343084701.db2.gz YJWNPKZBVLXIGM-UHFFFAOYSA-N 0 3 243.188 2.128 10 0 BEAEHN Cc1cccc(-c2cc3c(nc2N)NCCC3)c1 ZINC000584883326 343086192 /nfs/dbraw/zinc/08/61/92/343086192.db2.gz PUZPJYVOIYJTDA-UHFFFAOYSA-N 0 3 239.322 2.344 10 0 BEAEHN CO[C@H]1Cc2ccccc2C2(CCN(C)CC2)O1 ZINC000013472037 343089374 /nfs/dbraw/zinc/08/93/74/343089374.db2.gz BMBFJAYAIYTGJO-CQSZACIVSA-N 0 3 247.338 2.153 10 0 BEAEHN CC(C)(C)c1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000071534907 362007582 /nfs/dbraw/zinc/00/75/82/362007582.db2.gz TVXINOQPAUENGI-UHFFFAOYSA-N 0 3 230.315 2.228 10 0 BEAEHN N[C@@H]1CCOc2c(OC(F)(F)F)cccc21 ZINC000095639005 343075455 /nfs/dbraw/zinc/07/54/55/343075455.db2.gz DDCZLPCCTJEGSL-SSDOTTSWSA-N 0 3 233.189 2.368 10 0 BEAEHN COc1ccc(C(C)C)cc1[C@H](N)CCO ZINC000071525219 362008099 /nfs/dbraw/zinc/00/80/99/362008099.db2.gz DUFGLNUXQJIGPG-GFCCVEGCSA-N 0 3 223.316 2.201 10 0 BEAEHN N[C@H]1CCOc2c(OC(F)(F)F)cccc21 ZINC000095638869 343075629 /nfs/dbraw/zinc/07/56/29/343075629.db2.gz DDCZLPCCTJEGSL-ZETCQYMHSA-N 0 3 233.189 2.368 10 0 BEAEHN Cc1cc(N(C)Cc2ccccc2)nc(N)n1 ZINC000043531905 343130807 /nfs/dbraw/zinc/13/08/07/343130807.db2.gz MAJRFKKTARZMPY-UHFFFAOYSA-N 0 3 228.299 2.004 10 0 BEAEHN CCC[C@H](N)c1cnc2c(C)cccn12 ZINC000031911678 343225949 /nfs/dbraw/zinc/22/59/49/343225949.db2.gz ZQSSIPQIUVJZCK-JTQLQIEISA-N 0 3 203.289 2.443 10 0 BEAEHN Cc1c(CNC[C@@H]2CCCCS2)cnn1C ZINC000087684289 136282237 /nfs/dbraw/zinc/28/22/37/136282237.db2.gz XZQILWUKUAPFTP-LBPRGKRZSA-N 0 3 239.388 2.104 10 0 BEAEHN CC(C)c1ccc([C@@H](C)N[C@@H](C)C(N)=O)cc1 ZINC000035138479 343286421 /nfs/dbraw/zinc/28/64/21/343286421.db2.gz SMQLVNPHQHVTMH-MNOVXSKESA-N 0 3 234.343 2.334 10 0 BEAEHN CN1CC=C(Cc2ccc(O)cc2)CC1 ZINC000238360614 343255833 /nfs/dbraw/zinc/25/58/33/343255833.db2.gz RAHTYEFRBBUIAT-UHFFFAOYSA-N 0 3 203.285 2.197 10 0 BEAEHN CC1CCC(Oc2ncccc2C(=N)N)CC1 ZINC000019475248 187252811 /nfs/dbraw/zinc/25/28/11/187252811.db2.gz HBORQTKJDZPGPX-UHFFFAOYSA-N 0 3 233.315 2.323 10 0 BEAEHN CNCc1cnn(-c2ccc(F)cc2)c1C ZINC000020439440 187253711 /nfs/dbraw/zinc/25/37/11/187253711.db2.gz VCAJVHNKEBLJMR-UHFFFAOYSA-N 0 3 219.263 2.039 10 0 BEAEHN Cc1cnccc1[C@H]1NCCc2cc(O)ccc21 ZINC000038805227 343379572 /nfs/dbraw/zinc/37/95/72/343379572.db2.gz OOJUAVZVMJFJJV-OAHLLOKOSA-N 0 3 240.306 2.331 10 0 BEAEHN N[C@@H](CO)c1cccc(Oc2ccccc2)c1 ZINC000038124688 343371897 /nfs/dbraw/zinc/37/18/97/343371897.db2.gz VHTXXANHTMMDDV-AWEZNQCLSA-N 0 3 229.279 2.471 10 0 BEAEHN Cc1c2sccc2nc2c1CNCC2 ZINC000039105320 343384938 /nfs/dbraw/zinc/38/49/38/343384938.db2.gz SSRUZQZXCRSSBK-UHFFFAOYSA-N 0 3 204.298 2.250 10 0 BEAEHN C[C@@H](CCCC(F)(F)F)NC1COC1 ZINC000166686372 136362783 /nfs/dbraw/zinc/36/27/83/136362783.db2.gz YTKUHAZKTHOITA-ZETCQYMHSA-N 0 3 211.227 2.096 10 0 BEAEHN C[C@@H]1c2ccccc2C[C@@H]1N1CCOCC1 ZINC000150154137 343469969 /nfs/dbraw/zinc/46/99/69/343469969.db2.gz KPJZLIJJCUHHGC-RISCZKNCSA-N 0 3 217.312 2.047 10 0 BEAEHN CCN1CCO[C@H](c2cccc(N)c2)CC1 ZINC000616687467 343537017 /nfs/dbraw/zinc/53/70/17/343537017.db2.gz ZOYKUZXWZPIDDP-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN COC[C@@]1(C2CC2)NCCc2ccsc21 ZINC000712514802 537787031 /nfs/dbraw/zinc/78/70/31/537787031.db2.gz HCWICHDLUHCMNV-LBPRGKRZSA-N 0 3 223.341 2.146 10 0 BEAEHN COC[C@]1(C(C)C)NCCc2ccsc21 ZINC000712512362 537786575 /nfs/dbraw/zinc/78/65/75/537786575.db2.gz HEYHVLMGXWSEKJ-GFCCVEGCSA-N 0 3 225.357 2.392 10 0 BEAEHN Cc1n[nH]c(C)c1[C@H]1NCCc2ccsc21 ZINC000712501282 537786717 /nfs/dbraw/zinc/78/67/17/537786717.db2.gz XYDRPRPJZLNCCE-LLVKDONJSA-N 0 3 233.340 2.323 10 0 BEAEHN CN[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000052395696 343600132 /nfs/dbraw/zinc/60/01/32/343600132.db2.gz XGXYFCNXAMBRIP-GFCCVEGCSA-N 0 3 234.343 2.032 10 0 BEAEHN FC1(F)CC[C@@H]([C@H]2NCCc3nc[nH]c32)C1 ZINC000712970868 537796335 /nfs/dbraw/zinc/79/63/35/537796335.db2.gz MGIJDAIWYZWYQU-VXNVDRBHSA-N 0 3 227.258 2.032 10 0 BEAEHN COC(=O)C[C@](C)(N)c1cccc(Cl)c1 ZINC000086851530 343631047 /nfs/dbraw/zinc/63/10/47/343631047.db2.gz HCLPAOARYVKXGO-NSHDSACASA-N 0 3 227.691 2.077 10 0 BEAEHN CC1Oc2c(cc(F)cc2Cl)C1=O ZINC000043633279 343632003 /nfs/dbraw/zinc/63/20/03/343632003.db2.gz JNCGFEAIVWQPIP-BYPYZUCNSA-N 0 3 200.596 2.443 10 0 BEAEHN Cc1nc(N)cc(NCCc2ccccc2)n1 ZINC000128492462 343787478 /nfs/dbraw/zinc/78/74/78/343787478.db2.gz KXYPNBGYBUDFSQ-UHFFFAOYSA-N 0 3 228.299 2.022 10 0 BEAEHN Cc1nc(N)cc(NCc2ccccc2F)n1 ZINC000128593849 343787600 /nfs/dbraw/zinc/78/76/00/343787600.db2.gz ZSDZYBVYNOTMQU-UHFFFAOYSA-N 0 3 232.262 2.118 10 0 BEAEHN Cc1ccc(CNc2cc(N)nc(C)n2)cc1 ZINC000128637932 343787712 /nfs/dbraw/zinc/78/77/12/343787712.db2.gz UJQXDPMUJPHWGJ-UHFFFAOYSA-N 0 3 228.299 2.288 10 0 BEAEHN Cc1nc(CN)cc(CC2CCCCC2)n1 ZINC000409439976 343854083 /nfs/dbraw/zinc/85/40/83/343854083.db2.gz USLFZADLNGEPHG-UHFFFAOYSA-N 0 3 219.332 2.367 10 0 BEAEHN Cc1nc(CN)cc(Cc2ccc(Cl)cc2)n1 ZINC000409438739 343845400 /nfs/dbraw/zinc/84/54/00/343845400.db2.gz ODCSMDCPNVDPNT-UHFFFAOYSA-N 0 3 247.729 2.488 10 0 BEAEHN Cc1nc(CN)cc(CCc2ccccc2)n1 ZINC000409439142 343846616 /nfs/dbraw/zinc/84/66/16/343846616.db2.gz PWRQDVVASKWBQT-UHFFFAOYSA-N 0 3 227.311 2.029 10 0 BEAEHN CN1C[C@H](CO)C[C@H]1c1cccc(Cl)c1 ZINC000409442301 343857977 /nfs/dbraw/zinc/85/79/77/343857977.db2.gz UPUMMBCBMAMHRE-SKDRFNHKSA-N 0 3 225.719 2.325 10 0 BEAEHN CCn1nc(-c2cccs2)cc1CNC ZINC000409443623 343862477 /nfs/dbraw/zinc/86/24/77/343862477.db2.gz QOHWCJKGCQVWNV-UHFFFAOYSA-N 0 3 221.329 2.351 10 0 BEAEHN NCc1cc(-c2ccsc2)nn1CC1CC1 ZINC000409442888 343864913 /nfs/dbraw/zinc/86/49/13/343864913.db2.gz COJYETQFBSISQM-UHFFFAOYSA-N 0 3 233.340 2.480 10 0 BEAEHN CNCc1cc(-c2ccsc2)nn1CCF ZINC000409443047 343865619 /nfs/dbraw/zinc/86/56/19/343865619.db2.gz FZWMJSMLLLLOLF-UHFFFAOYSA-N 0 3 239.319 2.301 10 0 BEAEHN NCc1cc(-c2ccccc2)nn1CC1CC1 ZINC000409443195 343866016 /nfs/dbraw/zinc/86/60/16/343866016.db2.gz IPBJFGILUCMMGU-UHFFFAOYSA-N 0 3 227.311 2.419 10 0 BEAEHN CSc1ccc(CN)c(OC2CC2)c1 ZINC000095738050 187287354 /nfs/dbraw/zinc/28/73/54/187287354.db2.gz OXTPTBXILIAENO-UHFFFAOYSA-N 0 3 209.314 2.408 10 0 BEAEHN c1ncc(CN(C2CC2)C2CCCC2)cn1 ZINC000130207547 344122507 /nfs/dbraw/zinc/12/25/07/344122507.db2.gz MQJHLHUNIOWLJF-UHFFFAOYSA-N 0 3 217.316 2.384 10 0 BEAEHN CCN1CCC[C@@](O)(c2ccc(F)cc2)C1 ZINC000616577446 344200780 /nfs/dbraw/zinc/20/07/80/344200780.db2.gz XCJXWWRRTKJFFN-ZDUSSCGKSA-N 0 3 223.291 2.129 10 0 BEAEHN Fc1cc(F)cc(CCNCc2cncnc2)c1 ZINC000054768256 344250181 /nfs/dbraw/zinc/25/01/81/344250181.db2.gz SZLUPSDKJMEXIX-UHFFFAOYSA-N 0 3 249.264 2.087 10 0 BEAEHN C[C@H](N)c1csc(-c2cccnc2)n1 ZINC000011568395 344376478 /nfs/dbraw/zinc/37/64/78/344376478.db2.gz FUACUQFNXGWFTO-ZETCQYMHSA-N 0 3 205.286 2.225 10 0 BEAEHN Nc1c2cccc(CO)c2nc2c1CCCC2 ZINC000028638355 344380079 /nfs/dbraw/zinc/38/00/79/344380079.db2.gz LUWHOGXZYIVPJP-UHFFFAOYSA-N 0 3 228.295 2.188 10 0 BEAEHN CC(C)(C)OC(=O)N1CC(C)(C)NCC1(C)C ZINC000258082429 344463249 /nfs/dbraw/zinc/46/32/49/344463249.db2.gz VWFVTERSSBCUMP-UHFFFAOYSA-N 0 3 242.363 2.384 10 0 BEAEHN Cc1nc(C[C@]2(F)CCCNC2)cs1 ZINC000158090783 344479334 /nfs/dbraw/zinc/47/93/34/344479334.db2.gz UGOCPQYMXIRDQP-SNVBAGLBSA-N 0 3 214.309 2.086 10 0 BEAEHN Cc1ccc(F)c([C@](C)(F)CN)c1F ZINC000158241205 344570839 /nfs/dbraw/zinc/57/08/39/344570839.db2.gz OFOLNUMIMYAURO-SNVBAGLBSA-N 0 3 203.207 2.417 10 0 BEAEHN C[C@](F)(CN)Cc1ccc(F)cc1F ZINC000158247663 344574499 /nfs/dbraw/zinc/57/44/99/344574499.db2.gz DWYUADQISSZOLE-SNVBAGLBSA-N 0 3 203.207 2.194 10 0 BEAEHN Cc1ccc(F)c(NC(=O)[C@](C)(N)C2CC2)c1 ZINC000037614428 178674515 /nfs/dbraw/zinc/67/45/15/178674515.db2.gz FJDABVZYLQYJDZ-CYBMUJFWSA-N 0 3 236.290 2.200 10 0 BEAEHN CC(C)[C@@](F)(CN)c1cncc(F)c1 ZINC000158391512 344639762 /nfs/dbraw/zinc/63/97/62/344639762.db2.gz SFOVMFLIBVAEER-JTQLQIEISA-N 0 3 200.232 2.000 10 0 BEAEHN CCCC1(CCC)NCCc2nc[nH]c21 ZINC000400410442 537855022 /nfs/dbraw/zinc/85/50/22/537855022.db2.gz WESMYJXXLRHEER-UHFFFAOYSA-N 0 3 207.321 2.351 10 0 BEAEHN CC1CCC([C@@H]2NCCc3nc[nH]c32)CC1 ZINC000400399062 537855189 /nfs/dbraw/zinc/85/51/89/537855189.db2.gz NIYGNRVXNAXHRS-CBINBANVSA-N 0 3 219.332 2.423 10 0 BEAEHN C[C@@H]1C[C@H](Nc2nsnc2Cl)CCN1C ZINC000158598063 344689712 /nfs/dbraw/zinc/68/97/12/344689712.db2.gz CECONFHYKQHXGL-RNFRBKRXSA-N 0 3 246.767 2.086 10 0 BEAEHN C[C@H]1C[C@H](Nc2nsnc2Cl)CCN1C ZINC000158598190 344690437 /nfs/dbraw/zinc/69/04/37/344690437.db2.gz CECONFHYKQHXGL-NKWVEPMBSA-N 0 3 246.767 2.086 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1[C@H]1NCCc2nc[nH]c21 ZINC000400378088 537855243 /nfs/dbraw/zinc/85/52/43/537855243.db2.gz DLCVRMBCDXDIPS-JFGNBEQYSA-N 0 3 219.332 2.423 10 0 BEAEHN CS[C@@H]1CCCC[C@@H]1NC1=NCCS1 ZINC000235083144 344774817 /nfs/dbraw/zinc/77/48/17/344774817.db2.gz KJPWBMMTHAZRID-DTWKUNHWSA-N 0 3 230.402 2.353 10 0 BEAEHN Cc1ccc(NC(=O)[C@@H]2NCCC[C@@H]2C)cc1 ZINC000051791609 178745315 /nfs/dbraw/zinc/74/53/15/178745315.db2.gz YOTOZWIGYXSFTJ-WCQYABFASA-N 0 3 232.327 2.322 10 0 BEAEHN C[C@H]1SCC[C@@]12NC(C)(C)CS2 ZINC000235643973 344965487 /nfs/dbraw/zinc/96/54/87/344965487.db2.gz NPAFOKYPBICJCG-APPZFPTMSA-N 0 3 203.376 2.323 10 0 BEAEHN Cc1nc([C@H](NC(C)C)c2ccccc2)n[nH]1 ZINC000154161474 345015154 /nfs/dbraw/zinc/01/51/54/345015154.db2.gz ULWBPRKSZDFWIR-GFCCVEGCSA-N 0 3 230.315 2.201 10 0 BEAEHN CCC[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155364600 345077296 /nfs/dbraw/zinc/07/72/96/345077296.db2.gz KPNANEFQAQQMBJ-AVGNSLFASA-N 0 3 240.391 2.268 10 0 BEAEHN N[C@H](CC(F)(F)F)c1ccc(F)cn1 ZINC000238606900 345091402 /nfs/dbraw/zinc/09/14/02/345091402.db2.gz ISUJAWCIRHRXGO-ZCFIWIBFSA-N 0 3 208.158 2.173 10 0 BEAEHN NCc1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238679926 345108320 /nfs/dbraw/zinc/10/83/20/345108320.db2.gz OXKKPIZBMIXPSC-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN NCc1ccnc(Cl)c1OC(F)(F)F ZINC000238690280 345112780 /nfs/dbraw/zinc/11/27/80/345112780.db2.gz GLMPFKITAAOMSQ-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN N[C@@H](c1ccoc1Br)C1CC1 ZINC000229299671 345484811 /nfs/dbraw/zinc/48/48/11/345484811.db2.gz BQYIYFCHLDGWQK-SSDOTTSWSA-N 0 3 216.078 2.452 10 0 BEAEHN Nc1cnc2ccccc2c1N1CCCC1 ZINC000040539507 187307383 /nfs/dbraw/zinc/30/73/83/187307383.db2.gz BYIZEOQWPJAZDP-UHFFFAOYSA-N 0 3 213.284 2.417 10 0 BEAEHN Cc1ccc([C@H](O)CCN(C)C)c(C)c1 ZINC000041166249 178911612 /nfs/dbraw/zinc/91/16/12/178911612.db2.gz AHUXBNFDRREZQG-CYBMUJFWSA-N 0 3 207.317 2.289 10 0 BEAEHN CC[C@@H](O)CCN(C)Cc1ccccc1 ZINC000219154215 345856968 /nfs/dbraw/zinc/85/69/68/345856968.db2.gz YWKPWLUQHKQVEA-CYBMUJFWSA-N 0 3 207.317 2.279 10 0 BEAEHN CCOC(=O)/C=C/[C@@H](C)NCc1ccccc1 ZINC000143507977 345866133 /nfs/dbraw/zinc/86/61/33/345866133.db2.gz NCHVQJOWFMPMDV-BZYZDCJZSA-N 0 3 233.311 2.284 10 0 BEAEHN CC(C)CO[C@@H]1Cc2ccccc2[C@H]1N ZINC000019268636 187312848 /nfs/dbraw/zinc/31/28/48/187312848.db2.gz ZRMVKXRSZHWSTQ-CHWSQXEVSA-N 0 3 205.301 2.284 10 0 BEAEHN Cc1cc(C)c([C@H]2NCCc3nc[nH]c32)s1 ZINC000719502515 537931614 /nfs/dbraw/zinc/93/16/14/537931614.db2.gz ZGTGDKVRZVEMGP-NSHDSACASA-N 0 3 233.340 2.323 10 0 BEAEHN Cc1ccc(-c2cccc(N)c2)c(CN)n1 ZINC000669371970 537948157 /nfs/dbraw/zinc/94/81/57/537948157.db2.gz DSLDECKNHLHRFK-UHFFFAOYSA-N 0 3 213.284 2.098 10 0 BEAEHN CCN1CCC[C@H]1CNc1ccnc(Cl)n1 ZINC000051849418 346148178 /nfs/dbraw/zinc/14/81/78/346148178.db2.gz NCKDHCANHPIPIJ-VIFPVBQESA-N 0 3 240.738 2.026 10 0 BEAEHN CC(C)(N)c1csc(C(F)(F)F)n1 ZINC000083289604 187319296 /nfs/dbraw/zinc/31/92/96/187319296.db2.gz CNKJOKRUPOLIGM-UHFFFAOYSA-N 0 3 210.224 2.356 10 0 BEAEHN N[C@H](c1cscn1)C1CCSCC1 ZINC000401706829 362701186 /nfs/dbraw/zinc/70/11/86/362701186.db2.gz QZAURDVUGQRAIK-VIFPVBQESA-N 0 3 214.359 2.286 10 0 BEAEHN CCn1c(C)nnc1CN[C@H](C)C(C)(C)C ZINC000172263628 346387512 /nfs/dbraw/zinc/38/75/12/346387512.db2.gz QUVVJKMGGGJQMY-SECBINFHSA-N 0 3 224.352 2.131 10 0 BEAEHN CC[C@@](O)(CN(C)C(C)C)C(F)(F)F ZINC000669379718 537980846 /nfs/dbraw/zinc/98/08/46/537980846.db2.gz KQHVYLXRGOIXFX-MRVPVSSYSA-N 0 3 213.243 2.030 10 0 BEAEHN Cc1cccc(CNCCN(C)C)c1Cl ZINC000083355108 179092826 /nfs/dbraw/zinc/09/28/26/179092826.db2.gz ZFZQNJWWHHIQDO-UHFFFAOYSA-N 0 3 226.751 2.300 10 0 BEAEHN CCCN(CC)C[C@](O)(CC)C(F)(F)F ZINC000669379827 537982252 /nfs/dbraw/zinc/98/22/52/537982252.db2.gz KUCROASUPWCBHQ-SECBINFHSA-N 0 3 227.270 2.422 10 0 BEAEHN CCCN(CC)C[C@@](O)(CC)C(F)(F)F ZINC000669379828 537983055 /nfs/dbraw/zinc/98/30/55/537983055.db2.gz KUCROASUPWCBHQ-VIFPVBQESA-N 0 3 227.270 2.422 10 0 BEAEHN CCN1CCC[C@H](Nc2ncc(C)s2)C1 ZINC000302769171 346610376 /nfs/dbraw/zinc/61/03/76/346610376.db2.gz AZYATQXARUVQSX-JTQLQIEISA-N 0 3 225.361 2.348 10 0 BEAEHN N[C@@H](c1ccccc1)[C@H](O)Cc1ccccc1 ZINC000034505586 346657806 /nfs/dbraw/zinc/65/78/06/346657806.db2.gz ATWURDULSBRNEK-CABCVRRESA-N 0 3 227.307 2.290 10 0 BEAEHN CCC[C@H](C)[C@@H]1NCCc2ncn(C)c21 ZINC000725242754 537986468 /nfs/dbraw/zinc/98/64/68/537986468.db2.gz QAWMGLHVVCDMLS-ONGXEEELSA-N 0 3 207.321 2.043 10 0 BEAEHN CCCCC1=N[C@@H](C)C(C(=O)OCC)=C(C)N1 ZINC000038437479 347164510 /nfs/dbraw/zinc/16/45/10/347164510.db2.gz VZTGMOQLYBPPBY-VIFPVBQESA-N 0 3 238.331 2.404 10 0 BEAEHN Cc1cccc([C@@H]2CC3(CCN2)OCCO3)c1 ZINC000041260662 179189510 /nfs/dbraw/zinc/18/95/10/179189510.db2.gz ICQLNJAQQMMHIW-ZDUSSCGKSA-N 0 3 233.311 2.163 10 0 BEAEHN Cc1cccc([C@H]2CC3(CCN2)OCCO3)c1 ZINC000041260664 179204177 /nfs/dbraw/zinc/20/41/77/179204177.db2.gz ICQLNJAQQMMHIW-CYBMUJFWSA-N 0 3 233.311 2.163 10 0 BEAEHN c1cc2c(o1)CCN[C@]21C[C@@H]2CCC[C@@H]21 ZINC000725242867 537988756 /nfs/dbraw/zinc/98/87/56/537988756.db2.gz HIBWAUBCRGTXDN-KWBADKCTSA-N 0 3 203.285 2.441 10 0 BEAEHN Cc1cccc2c(NCCCO)ccnc12 ZINC000301663192 179211910 /nfs/dbraw/zinc/21/19/10/179211910.db2.gz KHPNYBNZYRDZMA-UHFFFAOYSA-N 0 3 216.284 2.338 10 0 BEAEHN Cc1ccccc1CN(C)c1cccc(CN)n1 ZINC000051397895 179271396 /nfs/dbraw/zinc/27/13/96/179271396.db2.gz DDSQGIBNBQWWJH-UHFFFAOYSA-N 0 3 241.338 2.485 10 0 BEAEHN Cc1ccccc1C[C@H](C)NCc1nccn1C ZINC000051923723 179290925 /nfs/dbraw/zinc/29/09/25/179290925.db2.gz LJNSGITWIIRWNB-ZDUSSCGKSA-N 0 3 243.354 2.449 10 0 BEAEHN Cc1ccccc1C[C@H](CN)C(=O)NC(C)(C)C ZINC000050304477 179291761 /nfs/dbraw/zinc/29/17/61/179291761.db2.gz NOZXRYISMBGFHT-CYBMUJFWSA-N 0 3 248.370 2.027 10 0 BEAEHN Cc1ccccc1Oc1ccnc(C(=N)N)c1 ZINC000061814464 179314626 /nfs/dbraw/zinc/31/46/26/179314626.db2.gz ZRCXWYNSIAKVRY-UHFFFAOYSA-N 0 3 227.267 2.466 10 0 BEAEHN COc1ccc(C)cc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037166120 348024963 /nfs/dbraw/zinc/02/49/63/348024963.db2.gz XTZCDDHMCCCFKA-ZIAGYGMSSA-N 0 3 249.354 2.397 10 0 BEAEHN Cc1ccccc1[C@H](NC1CCCCC1)C(N)=O ZINC000037969721 179343513 /nfs/dbraw/zinc/34/35/13/179343513.db2.gz NLKVWGRGXNUCAN-AWEZNQCLSA-N 0 3 246.354 2.444 10 0 BEAEHN Cc1nccn1C[C@@H](N)c1ccccc1C ZINC000023067421 179344023 /nfs/dbraw/zinc/34/40/23/179344023.db2.gz BFOZONSTONXGKD-CYBMUJFWSA-N 0 3 215.300 2.200 10 0 BEAEHN Cc1ccccc1[C@H](N)CN1C[C@H](C)OC[C@@H]1C ZINC000035784151 179344282 /nfs/dbraw/zinc/34/42/82/179344282.db2.gz YUNUVWSBCYWIND-KCQAQPDRSA-N 0 3 248.370 2.104 10 0 BEAEHN CCN1CCN(CC)c2ccccc2C1 ZINC000196895298 348053903 /nfs/dbraw/zinc/05/39/03/348053903.db2.gz KOLSWCJZPKTQOG-UHFFFAOYSA-N 0 3 204.317 2.348 10 0 BEAEHN CC(C)CN(Cc1cncnc1)C1CC1 ZINC000122148724 490127334 /nfs/dbraw/zinc/12/73/34/490127334.db2.gz CSRQPEWMFFELHE-UHFFFAOYSA-N 0 3 205.305 2.097 10 0 BEAEHN CCSC1(CNCc2cnn(C)c2C)CC1 ZINC000594987098 348166441 /nfs/dbraw/zinc/16/64/41/348166441.db2.gz RMLDTJRAOUQIMD-UHFFFAOYSA-N 0 3 239.388 2.104 10 0 BEAEHN Cc1cccnc1CN[C@@H](C)[C@H]1CCCO1 ZINC000161797392 179382088 /nfs/dbraw/zinc/38/20/88/179382088.db2.gz RLPILNWNZXBFEB-WCQYABFASA-N 0 3 220.316 2.047 10 0 BEAEHN CC(C)N(C)c1nc(CN)ccc1Cl ZINC000669382886 538005110 /nfs/dbraw/zinc/00/51/10/538005110.db2.gz NGVRIQKVGPTNJN-UHFFFAOYSA-N 0 3 213.712 2.038 10 0 BEAEHN CC[C@@H](C)c1nc([C@@H]2CCC[NH2+]2)cc(=O)[n-]1 ZINC000669382888 538005356 /nfs/dbraw/zinc/00/53/56/538005356.db2.gz NHHYARQSCFKOAX-BDAKNGLRSA-N 0 3 221.304 2.120 10 0 BEAEHN Cc1ccnc(Oc2cccc(F)c2CN)n1 ZINC000061859849 179463495 /nfs/dbraw/zinc/46/34/95/179463495.db2.gz FWTMKURVLHGTMP-UHFFFAOYSA-N 0 3 233.246 2.175 10 0 BEAEHN Cc1ccc2c(c1Cl)NC[C@@]21C[C@@H]1N ZINC000725246900 538008125 /nfs/dbraw/zinc/00/81/25/538008125.db2.gz ADUCDHONSHYVOH-KWQFWETISA-N 0 3 208.692 2.043 10 0 BEAEHN C[C@H]1CS[C@@]2(CCN(Cc3ccccc3)C2)N1 ZINC000159143010 348624961 /nfs/dbraw/zinc/62/49/61/348624961.db2.gz LJQODBBJMSUZCS-GXTWGEPZSA-N 0 3 248.395 2.314 10 0 BEAEHN CC(C)CN1C[C@@]2(C[C@H]2N)c2ccccc21 ZINC000725246921 538008425 /nfs/dbraw/zinc/00/84/25/538008425.db2.gz BAQKMAWXSPRXCI-KGLIPLIRSA-N 0 3 216.328 2.131 10 0 BEAEHN CCCN1C[C@]2(C[C@@H]2N)c2cc(C)ccc21 ZINC000725246944 538008871 /nfs/dbraw/zinc/00/88/71/538008871.db2.gz BJWJKNXVHFYOCV-UONOGXRCSA-N 0 3 216.328 2.194 10 0 BEAEHN CC(C)CN1C[C@]2(C[C@@H]2N)c2ccccc21 ZINC000725246922 538009650 /nfs/dbraw/zinc/00/96/50/538009650.db2.gz BAQKMAWXSPRXCI-UONOGXRCSA-N 0 3 216.328 2.131 10 0 BEAEHN CC(C)c1ccc2c(c1)[C@]1(C[C@H]1N)CN2 ZINC000725247814 538013962 /nfs/dbraw/zinc/01/39/62/538013962.db2.gz ZMFWDDIVVICYAF-OLZOCXBDSA-N 0 3 202.301 2.204 10 0 BEAEHN CC(C)c1cccc2c1NC[C@@]21C[C@@H]1N ZINC000725247783 538013846 /nfs/dbraw/zinc/01/38/46/538013846.db2.gz YBIFVVKPINJEDY-AAEUAGOBSA-N 0 3 202.301 2.204 10 0 BEAEHN CC(C)c1ccc2c(c1)[C@]1(C[C@@H]1N)CN2 ZINC000725247816 538014437 /nfs/dbraw/zinc/01/44/37/538014437.db2.gz ZMFWDDIVVICYAF-STQMWFEESA-N 0 3 202.301 2.204 10 0 BEAEHN Cc1ccc(OC(F)(F)F)c(CN)c1 ZINC000616575993 349094864 /nfs/dbraw/zinc/09/48/64/349094864.db2.gz KFDKTOIJIRBNJE-UHFFFAOYSA-N 0 3 205.179 2.352 10 0 BEAEHN CCCCC[C@H](C)N[C@@H]1COC[C@H]1F ZINC000616581449 349264194 /nfs/dbraw/zinc/26/41/94/349264194.db2.gz RPFCUZSDLLHAFP-HBNTYKKESA-N 0 3 203.301 2.282 10 0 BEAEHN Cn1c(C(C)(C)C)nc2c1[C@H](N)CCC2 ZINC000725253508 538038088 /nfs/dbraw/zinc/03/80/88/538038088.db2.gz OPKCWYXSBFKLBI-MRVPVSSYSA-N 0 3 207.321 2.054 10 0 BEAEHN Cc1nc(N2CCCCC2)sc1[C@H](C)N ZINC000040543792 180001346 /nfs/dbraw/zinc/00/13/46/180001346.db2.gz UODSFEHHQUMWGQ-QMMMGPOBSA-N 0 3 225.361 2.462 10 0 BEAEHN Cc1nc(N2CCC[C@H]2C)sc1[C@@H](C)N ZINC000054863886 180002790 /nfs/dbraw/zinc/00/27/90/180002790.db2.gz RPPYKNSWXWGTFL-HTQZYQBOSA-N 0 3 225.361 2.460 10 0 BEAEHN Cc1nc([C@H](C)N[C@@H]2CN(C)C[C@@H]2C)cs1 ZINC000336731346 180050463 /nfs/dbraw/zinc/05/04/63/180050463.db2.gz FFYBSETZPDNCPO-ATZCPNFKSA-N 0 3 239.388 2.052 10 0 BEAEHN Cc1nc([C@H]2CCCO2)sc1[C@@H](C)N ZINC000082420716 180057841 /nfs/dbraw/zinc/05/78/41/180057841.db2.gz NEMSDFLEDKFITB-HTRCEHHLSA-N 0 3 212.318 2.323 10 0 BEAEHN Cc1nc2cccc(Cl)n2c1[C@@H](C)N ZINC000074375099 180099387 /nfs/dbraw/zinc/09/93/87/180099387.db2.gz SDIAKFFUTYFGLY-ZCFIWIBFSA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1noc(CCNCc2cc(C)ccc2C)n1 ZINC000105470482 191067215 /nfs/dbraw/zinc/06/72/15/191067215.db2.gz JGMXXTVZSWQIAK-UHFFFAOYSA-N 0 3 245.326 2.327 10 0 BEAEHN Cc1ncc([C@H](C)N[C@@H]2C[C@@H]2C)c(C)n1 ZINC000120456942 180174407 /nfs/dbraw/zinc/17/44/07/180174407.db2.gz RUYQTIZAUDVDSE-QOSJWCAFSA-N 0 3 205.305 2.152 10 0 BEAEHN Cc1ncc(CNC2=NCCCS2)s1 ZINC000049534269 180150757 /nfs/dbraw/zinc/15/07/57/180150757.db2.gz GEUSHOHLGGNYIM-UHFFFAOYSA-N 0 3 227.358 2.034 10 0 BEAEHN Cc1nccc(CN[C@H](C)C2CCCC2)n1 ZINC000054080883 180191495 /nfs/dbraw/zinc/19/14/95/180191495.db2.gz KALXMGNYLQFWFM-SNVBAGLBSA-N 0 3 219.332 2.453 10 0 BEAEHN Cc1cccc(-c2cc(CN)nc(C)n2)c1 ZINC000074141476 350238630 /nfs/dbraw/zinc/23/86/30/350238630.db2.gz HVFPRDPQBDCFEZ-UHFFFAOYSA-N 0 3 213.284 2.219 10 0 BEAEHN Cc1ncn([C@@H]2Cc3ccccc3[C@H]2N)c1C ZINC000051926451 180289749 /nfs/dbraw/zinc/28/97/49/180289749.db2.gz LDMPNTXERQRTJD-ZIAGYGMSSA-N 0 3 227.311 2.297 10 0 BEAEHN Cc1ncn([C@H]2COc3ccccc3[C@@H]2N)c1C ZINC000051926484 180290100 /nfs/dbraw/zinc/29/01/00/180290100.db2.gz OWPDHQGHSRHIOS-JSGCOSHPSA-N 0 3 243.310 2.133 10 0 BEAEHN Cc1nccnc1[C@H](C)NC1CC(C)C1 ZINC000219195423 180282280 /nfs/dbraw/zinc/28/22/80/180282280.db2.gz BTRBHMBDGVLRJG-JZQLECPJSA-N 0 3 205.305 2.234 10 0 BEAEHN Cc1ncsc1[C@@H](C)NC[C@@H]1CCCO1 ZINC000037215349 180326208 /nfs/dbraw/zinc/32/62/08/180326208.db2.gz VHRDKMBPVSLZQN-SCZZXKLOSA-N 0 3 226.345 2.281 10 0 BEAEHN Cc1ncsc1[C@H](C)NC[C@H]1CCCO1 ZINC000037215352 180327174 /nfs/dbraw/zinc/32/71/74/180327174.db2.gz VHRDKMBPVSLZQN-WCBMZHEXSA-N 0 3 226.345 2.281 10 0 BEAEHN CN1CCC[C@@H]1CNc1cccc(Cl)n1 ZINC000226138246 350401919 /nfs/dbraw/zinc/40/19/19/350401919.db2.gz LXOWWMRPEFOBHE-SECBINFHSA-N 0 3 225.723 2.241 10 0 BEAEHN CC(C)(C)OC(=O)c1ccc2c(c1)OCCNC2 ZINC000725265174 538091274 /nfs/dbraw/zinc/09/12/74/538091274.db2.gz LQIIZGIXEOHLFC-UHFFFAOYSA-N 0 3 249.310 2.124 10 0 BEAEHN Cc1nn(C)c(C)c1[C@@H](C)N[C@@H]1CC1(C)C ZINC000045172924 180347491 /nfs/dbraw/zinc/34/74/91/180347491.db2.gz URKWWFQWIJTTDW-LDYMZIIASA-N 0 3 221.348 2.486 10 0 BEAEHN c1ncc(CN2CCC[C@@H]2C2CCC2)cn1 ZINC000127242993 490542143 /nfs/dbraw/zinc/54/21/43/490542143.db2.gz QOCZLBBPMTZDNY-CYBMUJFWSA-N 0 3 217.316 2.241 10 0 BEAEHN CN1CCO[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616592585 350467692 /nfs/dbraw/zinc/46/76/92/350467692.db2.gz CNXGBGBXGKJQIH-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN C[C@@H]1CC[C@H](C)CN1Cc1cncnc1 ZINC000127772980 490558230 /nfs/dbraw/zinc/55/82/30/490558230.db2.gz QPTGELZUHGPEKY-WDEREUQCSA-N 0 3 205.305 2.097 10 0 BEAEHN NCc1cnc(-c2cccnc2)c(Cl)c1 ZINC000409436572 350479888 /nfs/dbraw/zinc/47/98/88/350479888.db2.gz JTQJLAWSFBABGC-UHFFFAOYSA-N 0 3 219.675 2.256 10 0 BEAEHN CCN1CCO[C@@H](c2ccccc2N)CC1 ZINC000616593404 350580336 /nfs/dbraw/zinc/58/03/36/350580336.db2.gz JWGFAMXJCDSNIG-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CN1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616595476 350608053 /nfs/dbraw/zinc/60/80/53/350608053.db2.gz WCEYMBSNCCJEQU-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(=O)Nc1ccccc1[C@@H]1CCN(C)CCO1 ZINC000616595861 350611402 /nfs/dbraw/zinc/61/14/02/350611402.db2.gz ZJKQIKIXTUXNIU-AWEZNQCLSA-N 0 3 248.326 2.038 10 0 BEAEHN CC(=O)Nc1ccc([C@@H]2COCCCN2C)cc1 ZINC000616597136 350640616 /nfs/dbraw/zinc/64/06/16/350640616.db2.gz NQOIBTCOYJQFCT-AWEZNQCLSA-N 0 3 248.326 2.038 10 0 BEAEHN c1cc2ccncc2c([C@@H]2COCCCN2)c1 ZINC000616597218 350646350 /nfs/dbraw/zinc/64/63/50/350646350.db2.gz OBIYSAWXUJYXJC-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)N1CCOCC[C@H]1c1ccc(CO)cc1 ZINC000616597874 350653148 /nfs/dbraw/zinc/65/31/48/350653148.db2.gz LWSRFQAQQVJMMS-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CCN1CCOCC[C@H]1c1cccc(N)c1 ZINC000616597742 350653343 /nfs/dbraw/zinc/65/33/43/350653343.db2.gz JQTWHBGRJPAGKT-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)N1CCOCC[C@@H]1c1ccccc1N ZINC000616598312 350660055 /nfs/dbraw/zinc/66/00/55/350660055.db2.gz KFZVHOUMXVGQGD-CQSZACIVSA-N 0 3 234.343 2.441 10 0 BEAEHN CCN1CCN[C@@H](c2cncc3ccccc32)C1 ZINC000616600786 350780197 /nfs/dbraw/zinc/78/01/97/350780197.db2.gz MADLUWMLKTYRKF-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@H](c2cccc3ncccc32)C1 ZINC000616602605 350791547 /nfs/dbraw/zinc/79/15/47/350791547.db2.gz LTIKGWPBAGFHQK-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(=O)Nc1ccccc1[C@H]1CCN(C)C1 ZINC000616610299 350808649 /nfs/dbraw/zinc/80/86/49/350808649.db2.gz MYDKUZIZPJONGG-NSHDSACASA-N 0 3 218.300 2.064 10 0 BEAEHN c1onnc1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000616611659 350810216 /nfs/dbraw/zinc/81/02/16/350810216.db2.gz ITMGLEGZWACRAW-GFCCVEGCSA-N 0 3 229.283 2.059 10 0 BEAEHN CC(C)(C)N1CCCC[C@@H]1c1cn[nH]n1 ZINC000616614844 350840458 /nfs/dbraw/zinc/84/04/58/350840458.db2.gz WVJZQRXMRUCQCM-SNVBAGLBSA-N 0 3 208.309 2.130 10 0 BEAEHN CC(C)(C)N1CCCC[C@H]1c1c[nH]nc1N ZINC000616615212 350845455 /nfs/dbraw/zinc/84/54/55/350845455.db2.gz GLPQVSDCVPLWEO-JTQLQIEISA-N 0 3 222.336 2.148 10 0 BEAEHN CSC1([C@H]2NC[C@H](C)S2)CCC1 ZINC000306727420 350898646 /nfs/dbraw/zinc/89/86/46/350898646.db2.gz AUJWGUWYJXNTLI-YUMQZZPRSA-N 0 3 203.376 2.323 10 0 BEAEHN CC(C)N1CCC[C@H](OC(F)(F)F)C1 ZINC000616618515 350918020 /nfs/dbraw/zinc/91/80/20/350918020.db2.gz YEDNTIQBUUIQSN-QMMMGPOBSA-N 0 3 211.227 2.396 10 0 BEAEHN Brc1ncccc1[C@H]1CCCN1 ZINC000003732498 350870774 /nfs/dbraw/zinc/87/07/74/350870774.db2.gz SNCRTOHSYUOHKO-MRVPVSSYSA-N 0 3 227.105 2.269 10 0 BEAEHN CC(C)N1CCC[C@H](c2ccccc2C(N)=O)C1 ZINC000616617740 350872554 /nfs/dbraw/zinc/87/25/54/350872554.db2.gz ICQNVSNPKVHALT-LBPRGKRZSA-N 0 3 246.354 2.373 10 0 BEAEHN CN[C@@H]1COc2c1cc(Cl)cc2F ZINC000306721324 350888447 /nfs/dbraw/zinc/88/84/47/350888447.db2.gz DPMFSTXKESTUDQ-MRVPVSSYSA-N 0 3 201.628 2.132 10 0 BEAEHN CN1CCCCC[C@H]1c1ccc(N)nc1 ZINC000616620961 350948572 /nfs/dbraw/zinc/94/85/72/350948572.db2.gz INUUQJVBXMEVTB-NSHDSACASA-N 0 3 205.305 2.041 10 0 BEAEHN CC1(C)CN(Cc2ccc(CN)s2)C1 ZINC000306777489 351018564 /nfs/dbraw/zinc/01/85/64/351018564.db2.gz NRVQGBRAVFMMPK-UHFFFAOYSA-N 0 3 210.346 2.049 10 0 BEAEHN CNc1ccccc1[C@H]1CN(C(C)C)CCN1 ZINC000616631650 351106125 /nfs/dbraw/zinc/10/61/25/351106125.db2.gz ATERPYJNFIQVFA-CQSZACIVSA-N 0 3 233.359 2.083 10 0 BEAEHN COc1ccccc1[C@H]1CN(C(C)(C)C)CCN1 ZINC000616631810 351108531 /nfs/dbraw/zinc/10/85/31/351108531.db2.gz DWBUXIFTGTWMMI-CYBMUJFWSA-N 0 3 248.370 2.440 10 0 BEAEHN CCN1CCN[C@H](c2ccc3ccncc3c2)C1 ZINC000616632039 351110286 /nfs/dbraw/zinc/11/02/86/351110286.db2.gz FGUCAQNPZHQPDO-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN OCCN1CCC[C@H]1c1nccc2ccccc21 ZINC000616633663 351115966 /nfs/dbraw/zinc/11/59/66/351115966.db2.gz RBKUONCKLXQNBN-AWEZNQCLSA-N 0 3 242.322 2.364 10 0 BEAEHN CCCCN(CC)CC(=O)NC(C)(C)CC ZINC000052889763 351075524 /nfs/dbraw/zinc/07/55/24/351075524.db2.gz QJBKVTKIOJXTRC-UHFFFAOYSA-N 0 3 228.380 2.413 10 0 BEAEHN CC(C)N1CCCCC[C@H]1c1cc(N)n[nH]1 ZINC000616622430 351086036 /nfs/dbraw/zinc/08/60/36/351086036.db2.gz YDVQPYMSVAHYRY-NSHDSACASA-N 0 3 222.336 2.148 10 0 BEAEHN CC(C)N1CCCOC[C@@H]1c1ccncc1 ZINC000616644730 351161975 /nfs/dbraw/zinc/16/19/75/351161975.db2.gz DAOOKDDOGQKZLT-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)(C)N1CCCOC[C@@H]1c1cccnc1N ZINC000616645983 351169264 /nfs/dbraw/zinc/16/92/64/351169264.db2.gz MOJMDRCITFBMLF-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)N1CCCOC[C@@H]1c1ccccc1CO ZINC000616646574 351171370 /nfs/dbraw/zinc/17/13/70/351171370.db2.gz QYVZFKWMFPOCHW-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ccc(N)nc2)C1 ZINC000616650348 351176185 /nfs/dbraw/zinc/17/61/85/351176185.db2.gz YGUQCTBVHMDAOO-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN CC(C)N1CCCO[C@H](c2ccccc2N)C1 ZINC000616648718 351176413 /nfs/dbraw/zinc/17/64/13/351176413.db2.gz AFKAOJYIZOWFPC-AWEZNQCLSA-N 0 3 234.343 2.441 10 0 BEAEHN CCN1CCCO[C@H](c2ccccc2OC)C1 ZINC000616648716 351176501 /nfs/dbraw/zinc/17/65/01/351176501.db2.gz AERUUCTXINANDP-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CN1CCCO[C@H](c2cccc3ccnnc32)C1 ZINC000616648772 351177047 /nfs/dbraw/zinc/17/70/47/351177047.db2.gz BNVNJJHPYCHIGU-ZDUSSCGKSA-N 0 3 243.310 2.023 10 0 BEAEHN CCN1CCCO[C@H](c2cccc(N)c2)C1 ZINC000616648799 351177249 /nfs/dbraw/zinc/17/72/49/351177249.db2.gz CMIOJNTVBKOPFE-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ncco2)C1 ZINC000616649478 351178647 /nfs/dbraw/zinc/17/86/47/351178647.db2.gz KNQSNRORGIIWMJ-JTQLQIEISA-N 0 3 224.304 2.237 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ccnnc2)C1 ZINC000616652653 351186123 /nfs/dbraw/zinc/18/61/23/351186123.db2.gz IFWKXWODKRINKM-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CNc1ccc([C@@H]2CN(C)CCCO2)cc1 ZINC000616653032 351186815 /nfs/dbraw/zinc/18/68/15/351186815.db2.gz WYMRAYJRUWHNEC-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCCN(C)C1 ZINC000616651978 351190151 /nfs/dbraw/zinc/19/01/51/351190151.db2.gz CFQKCZREOAQUPJ-LLVKDONJSA-N 0 3 242.363 2.338 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc2ccncc2c1 ZINC000616636746 351128077 /nfs/dbraw/zinc/12/80/77/351128077.db2.gz BWZKTUKJTQNZSO-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN C[C@H]1C[C@H]1Nc1cc(N)ncc1Br ZINC000306829642 351139193 /nfs/dbraw/zinc/13/91/93/351139193.db2.gz KFKAGVNAMAAVID-CAHLUQPWSA-N 0 3 242.120 2.247 10 0 BEAEHN C[C@@H]1C[C@@H]1Nc1cc(N)ncc1Br ZINC000306829645 351139205 /nfs/dbraw/zinc/13/92/05/351139205.db2.gz KFKAGVNAMAAVID-VDTYLAMSSA-N 0 3 242.120 2.247 10 0 BEAEHN OCc1ccccc1[C@H]1NCCc2ccccc21 ZINC000616679534 351250563 /nfs/dbraw/zinc/25/05/63/351250563.db2.gz CHZKLIDINMFLRI-INIZCTEOSA-N 0 3 239.318 2.414 10 0 BEAEHN CCN1CCO[C@H](c2ccccc2N)CC1 ZINC000616686409 351256996 /nfs/dbraw/zinc/25/69/96/351256996.db2.gz JWGFAMXJCDSNIG-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CN1CCO[C@H](c2cnnc3ccccc32)CC1 ZINC000616687422 351258543 /nfs/dbraw/zinc/25/85/43/351258543.db2.gz YCIAFPVLYJDWDX-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCOC[C@H](c2cccc3cccnc32)C1 ZINC000616657181 351198273 /nfs/dbraw/zinc/19/82/73/351198273.db2.gz BHUQTZOCYGFLFE-CYBMUJFWSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)N1CCOC[C@H](c2ccccc2CO)C1 ZINC000616658081 351200860 /nfs/dbraw/zinc/20/08/60/351200860.db2.gz BGCFWFJYBCVJLJ-CQSZACIVSA-N 0 3 249.354 2.003 10 0 BEAEHN CCN1CCOC[C@H](c2cccc(NC)c2)C1 ZINC000616658453 351204241 /nfs/dbraw/zinc/20/42/41/351204241.db2.gz FQZBJTPFPUGIHW-CYBMUJFWSA-N 0 3 234.343 2.164 10 0 BEAEHN c1ccc2c(c1)ccnc2[C@@H]1CCOCCN1 ZINC000616661258 351213832 /nfs/dbraw/zinc/21/38/32/351213832.db2.gz YHCOYOLTGWHQAS-ZDUSSCGKSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](C(F)F)CC1 ZINC000616666253 351225854 /nfs/dbraw/zinc/22/58/54/351225854.db2.gz LSAKEWATFRZHDZ-MRVPVSSYSA-N 0 3 207.264 2.141 10 0 BEAEHN Cc1nc([C@H](N)[C@]2(C)C[C@@H]2F)cs1 ZINC000306879710 351271390 /nfs/dbraw/zinc/27/13/90/351271390.db2.gz FCRNBTASBNUTDY-XHNCKOQMSA-N 0 3 200.282 2.199 10 0 BEAEHN CCOC(=O)C[C@H](N)c1cc(F)cc(Cl)c1 ZINC000168293985 351368369 /nfs/dbraw/zinc/36/83/69/351368369.db2.gz JYDSJHXENCLIGB-JTQLQIEISA-N 0 3 245.681 2.432 10 0 BEAEHN CN[C@H](C1=CCCO1)[C@H]1CCCCS1 ZINC000168246381 351352371 /nfs/dbraw/zinc/35/23/71/351352371.db2.gz UPACIEAOYXDUSL-GHMZBOCLSA-N 0 3 213.346 2.164 10 0 BEAEHN Cn1cc([C@H](N)c2cccc(Cl)c2)cn1 ZINC000034957676 351362716 /nfs/dbraw/zinc/36/27/16/351362716.db2.gz NBALQFDCQRRWCN-LLVKDONJSA-N 0 3 221.691 2.122 10 0 BEAEHN Cc1nc([C@@H](N)C[C@@H]2CCCO2)cs1 ZINC000307052601 351451468 /nfs/dbraw/zinc/45/14/68/351451468.db2.gz USUCDDNHARBGRA-IUCAKERBSA-N 0 3 212.318 2.020 10 0 BEAEHN CCSc1ncc(Br)cc1CN ZINC000307009499 351416604 /nfs/dbraw/zinc/41/66/04/351416604.db2.gz ILCSYTSPLABZBX-UHFFFAOYSA-N 0 3 247.161 2.415 10 0 BEAEHN C[C@H]1CC2(C[C@H](C)O1)NC(C)(C)CS2 ZINC000133638740 351425270 /nfs/dbraw/zinc/42/52/70/351425270.db2.gz HVKVQKXTHSMSGQ-IUCAKERBSA-N 0 3 215.362 2.385 10 0 BEAEHN C[C@@H]1Oc2c(c(F)ccc2Cl)[C@H]1N ZINC000307100170 351479305 /nfs/dbraw/zinc/47/93/05/351479305.db2.gz GPVIRXNKQQVPFN-NVNXEXLPSA-N 0 3 201.628 2.260 10 0 BEAEHN Cc1cnc(C(C)(C)N)c(Br)c1 ZINC000307197429 351597792 /nfs/dbraw/zinc/59/77/92/351597792.db2.gz RQBWNYVCJPCBFJ-UHFFFAOYSA-N 0 3 229.121 2.346 10 0 BEAEHN N[C@H](c1cnsc1)C1CC(F)(F)C1 ZINC000404625678 351629044 /nfs/dbraw/zinc/62/90/44/351629044.db2.gz RAOQKHPCBSFVOL-ZETCQYMHSA-N 0 3 204.245 2.188 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000637917301 351792091 /nfs/dbraw/zinc/79/20/91/351792091.db2.gz INEZSNGVEHOVAN-OLZOCXBDSA-N 0 3 248.370 2.479 10 0 BEAEHN c1snnc1CNC1C2CC3CC(C2)CC1C3 ZINC000037067675 358467573 /nfs/dbraw/zinc/46/75/73/358467573.db2.gz ZSPSXNYYDDBHEB-UHFFFAOYSA-N 0 3 249.383 2.452 10 0 BEAEHN C[C@@H]1CO[C@@H](c2cc(F)ccc2F)CN1 ZINC000036673464 187587001 /nfs/dbraw/zinc/58/70/01/187587001.db2.gz LQUOGVNESKSVEG-RDDDGLTNSA-N 0 3 213.227 2.014 10 0 BEAEHN CC[C@@H]1CN=C(N[C@@H]2CS[C@@H](C)C2)S1 ZINC000307347511 352102309 /nfs/dbraw/zinc/10/23/09/352102309.db2.gz QEJFBPQYGHRVFJ-XHNCKOQMSA-N 0 3 230.402 2.351 10 0 BEAEHN CC(C)(C)c1ccnc([C@@H]2CCCN2)n1 ZINC000070951602 187596725 /nfs/dbraw/zinc/59/67/25/187596725.db2.gz NFADZQOZLPKUHQ-VIFPVBQESA-N 0 3 205.305 2.199 10 0 BEAEHN NCc1ccccc1OCc1ccco1 ZINC000020075983 187660348 /nfs/dbraw/zinc/66/03/48/187660348.db2.gz BIQOJVIQKWKZIN-UHFFFAOYSA-N 0 3 203.241 2.317 10 0 BEAEHN NCc1cc(F)cc(F)c1OC(F)F ZINC000307467675 352616721 /nfs/dbraw/zinc/61/67/21/352616721.db2.gz PUIPHIDGSBZKAP-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN CCC[C@](C)(N)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044678666 352655653 /nfs/dbraw/zinc/65/56/53/352655653.db2.gz YNUUZLDGVFCTFC-IPYPFGDCSA-N 0 3 246.354 2.176 10 0 BEAEHN C[C@@H](COCc1ccccc1)NCc1cn[nH]c1 ZINC000608067105 352662864 /nfs/dbraw/zinc/66/28/64/352662864.db2.gz VTACXHKOTKNVPH-LBPRGKRZSA-N 0 3 245.326 2.105 10 0 BEAEHN CN(C)[C@@H](CN)c1cccc(Cl)c1F ZINC000229239995 352664996 /nfs/dbraw/zinc/66/49/96/352664996.db2.gz HODLUOJBEIFNCY-VIFPVBQESA-N 0 3 216.687 2.041 10 0 BEAEHN CSC[C@@H](N)c1cc(F)c(F)cc1F ZINC000307526787 352634771 /nfs/dbraw/zinc/63/47/71/352634771.db2.gz IVZUOPJCKOMNST-SECBINFHSA-N 0 3 221.247 2.467 10 0 BEAEHN C[C@@H]1CSC[C@@]12NC(C)(C)CS2 ZINC000307621304 352691396 /nfs/dbraw/zinc/69/13/96/352691396.db2.gz BVLVBJUWQANWJX-APPZFPTMSA-N 0 3 203.376 2.181 10 0 BEAEHN CCCN(CCC)c1nc2c(s1)CNCC2 ZINC000086662854 323941254 /nfs/dbraw/zinc/94/12/54/323941254.db2.gz QIGUDIZVDLIMLD-UHFFFAOYSA-N 0 3 239.388 2.415 10 0 BEAEHN CC(C)[C@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000319011029 538106131 /nfs/dbraw/zinc/10/61/31/538106131.db2.gz PJESMXHPGHOUCU-DTWKUNHWSA-N 0 3 225.254 2.030 10 0 BEAEHN CC(C)[C@@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000319011032 538106150 /nfs/dbraw/zinc/10/61/50/538106150.db2.gz PJESMXHPGHOUCU-RKDXNWHRSA-N 0 3 225.254 2.030 10 0 BEAEHN COc1ccc([C@@H](C)CNCCF)cc1 ZINC000280589281 188031583 /nfs/dbraw/zinc/03/15/83/188031583.db2.gz AZQXJTDGQUSISZ-JTQLQIEISA-N 0 3 211.280 2.358 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1csc(C)c1 ZINC000638999990 353248409 /nfs/dbraw/zinc/24/84/09/353248409.db2.gz PCGJJBVMJPKHIZ-SECBINFHSA-N 0 3 212.318 2.122 10 0 BEAEHN CN[C@H](c1cncs1)C1=COCCC1 ZINC000160137226 353250108 /nfs/dbraw/zinc/25/01/08/353250108.db2.gz SCVNFFPDFDOOGG-JTQLQIEISA-N 0 3 210.302 2.098 10 0 BEAEHN NCc1ccccc1CN1CCCCCCC1=O ZINC000019385176 188280375 /nfs/dbraw/zinc/28/03/75/188280375.db2.gz FZYCXCVEOBDTNV-UHFFFAOYSA-N 0 3 246.354 2.438 10 0 BEAEHN CC(C)C[C@H](C)Oc1ncccc1C(=N)N ZINC000019518404 188281737 /nfs/dbraw/zinc/28/17/37/188281737.db2.gz MLYNUTXZDOMKKS-VIFPVBQESA-N 0 3 221.304 2.179 10 0 BEAEHN CCOc1ccccc1[C@@H](O)CN(CC)CC ZINC000019784835 188281941 /nfs/dbraw/zinc/28/19/41/188281941.db2.gz PKTXZBBOMNLFKQ-ZDUSSCGKSA-N 0 3 237.343 2.461 10 0 BEAEHN CNCc1ccc(Br)cc1OC ZINC000034825791 188284709 /nfs/dbraw/zinc/28/47/09/188284709.db2.gz HOEKNIQDUPEVDW-UHFFFAOYSA-N 0 3 230.105 2.177 10 0 BEAEHN CC(C)N1CCNC[C@H]1c1ccccc1F ZINC000077334350 188290911 /nfs/dbraw/zinc/29/09/11/188290911.db2.gz JVSOSQPHZQHMNN-ZDUSSCGKSA-N 0 3 222.307 2.180 10 0 BEAEHN CNCc1cnn(-c2ccc(C)cc2C)c1 ZINC000040932530 188293041 /nfs/dbraw/zinc/29/30/41/188293041.db2.gz YISQEUCNDVOPMK-UHFFFAOYSA-N 0 3 215.300 2.209 10 0 BEAEHN CC(C)N(CCO)c1cccc(F)c1[C@H](C)N ZINC000042479753 188294204 /nfs/dbraw/zinc/29/42/04/188294204.db2.gz DEOVCMVUNCKNJU-JTQLQIEISA-N 0 3 240.322 2.053 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccncc1 ZINC000252677275 353303489 /nfs/dbraw/zinc/30/34/89/353303489.db2.gz ZELGFJWVYZUHOM-HIFRSBDPSA-N 0 3 245.370 2.140 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cccnc1 ZINC000252661388 353303845 /nfs/dbraw/zinc/30/38/45/353303845.db2.gz JHEBYCNPQKMHEU-ZFWWWQNUSA-N 0 3 245.370 2.140 10 0 BEAEHN Cc1cccc(C(=O)[C@@H]2CCCCN2)c1 ZINC000071508662 188305475 /nfs/dbraw/zinc/30/54/75/188305475.db2.gz PCWKGIFCATZCSJ-LBPRGKRZSA-N 0 3 203.285 2.320 10 0 BEAEHN COc1ncc(C(F)(F)F)cc1[C@H](C)N ZINC000095756625 188320523 /nfs/dbraw/zinc/32/05/23/188320523.db2.gz FXESPSURMBYAFY-YFKPBYRVSA-N 0 3 220.194 2.129 10 0 BEAEHN CC(C)(C)[C@@](F)(CN)C1=COCCC1 ZINC000160172577 353374623 /nfs/dbraw/zinc/37/46/23/353374623.db2.gz LLFRHXJYKACOJT-LLVKDONJSA-N 0 3 201.285 2.394 10 0 BEAEHN CCn1cccc1CNC[C@H](O)CC(C)(C)C ZINC000226071146 188358242 /nfs/dbraw/zinc/35/82/42/188358242.db2.gz JALAKUKYIJSRIK-CYBMUJFWSA-N 0 3 238.375 2.395 10 0 BEAEHN C[C@H](N[C@H]1CCCCC[C@@H]1O)c1ccccn1 ZINC000037889252 358479045 /nfs/dbraw/zinc/47/90/45/358479045.db2.gz YJMKRUFZKGKVOS-UBHSHLNASA-N 0 3 234.343 2.426 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2NCCC(C)C ZINC000190778975 353723859 /nfs/dbraw/zinc/72/38/59/353723859.db2.gz ANAOMNFVIVWBMV-NSHDSACASA-N 0 3 222.336 2.057 10 0 BEAEHN Fc1ccccc1Cc1noc([C@@H]2CCCN2)n1 ZINC000049671267 181013893 /nfs/dbraw/zinc/01/38/93/181013893.db2.gz NLLSZDMZALLIEY-NSHDSACASA-N 0 3 247.273 2.224 10 0 BEAEHN Fc1ccccc1Cc1noc([C@H]2CCCN2)n1 ZINC000049671268 181014126 /nfs/dbraw/zinc/01/41/26/181014126.db2.gz NLLSZDMZALLIEY-LLVKDONJSA-N 0 3 247.273 2.224 10 0 BEAEHN CO[C@H]1CCCN(Cc2cccc3c2NCC3)C1 ZINC000220364889 353837067 /nfs/dbraw/zinc/83/70/67/353837067.db2.gz ADBZNJHDCLYOQJ-AWEZNQCLSA-N 0 3 246.354 2.265 10 0 BEAEHN CO[C@@H]1CCCN(Cc2cccc3c2NCC3)C1 ZINC000220364823 353837389 /nfs/dbraw/zinc/83/73/89/353837389.db2.gz ADBZNJHDCLYOQJ-CQSZACIVSA-N 0 3 246.354 2.265 10 0 BEAEHN CC(C)(N)C(=O)C[C@H]1CCC(F)(F)C1 ZINC000301028960 363338481 /nfs/dbraw/zinc/33/84/81/363338481.db2.gz UADLGSUMKONUEX-SSDOTTSWSA-N 0 3 205.248 2.118 10 0 BEAEHN CCNc1cc(Br)ccc1CN ZINC000165953583 354385611 /nfs/dbraw/zinc/38/56/11/354385611.db2.gz QJJALYKXEQAGQF-UHFFFAOYSA-N 0 3 229.121 2.340 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cncn1CC ZINC000233416693 363400653 /nfs/dbraw/zinc/40/06/53/363400653.db2.gz HGTMIZKKYZJFNZ-JQWIXIFHSA-N 0 3 207.321 2.181 10 0 BEAEHN CCN1CCC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000040502206 358492843 /nfs/dbraw/zinc/49/28/43/358492843.db2.gz TYSUAUATUFGURP-NWDGAFQWSA-N 0 3 222.332 2.415 10 0 BEAEHN Cc1nc(CNC(C)C)c2n1CCCC2 ZINC000134037754 355366145 /nfs/dbraw/zinc/36/61/45/355366145.db2.gz PBBNVJYKKIPXPO-UHFFFAOYSA-N 0 3 207.321 2.026 10 0 BEAEHN N=C(N)c1c(F)cccc1C(F)(F)F ZINC000001443063 181192155 /nfs/dbraw/zinc/19/21/55/181192155.db2.gz APYHNPYRPUZYAD-UHFFFAOYSA-N 0 3 206.142 2.129 10 0 BEAEHN CCN1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC000389197801 355839587 /nfs/dbraw/zinc/83/95/87/355839587.db2.gz XUZSUFBXXMLVGJ-ZDUSSCGKSA-N 0 3 236.334 2.318 10 0 BEAEHN C/C=C/C=C/C(=O)Nc1cccc2c1CNCC2 ZINC000167355623 355984591 /nfs/dbraw/zinc/98/45/91/355984591.db2.gz FMLGCLJZJWRFAC-CRBCFSCISA-N 0 3 242.322 2.403 10 0 BEAEHN CCN1CC[C@@H](Nc2ncnc3sccc32)C1 ZINC000389268902 355943505 /nfs/dbraw/zinc/94/35/05/355943505.db2.gz QNSYFTFGMRYVJD-SECBINFHSA-N 0 3 248.355 2.197 10 0 BEAEHN CCN1CC[C@@H](Nc2cc(C(C)C)ncn2)C1 ZINC000389326172 355966086 /nfs/dbraw/zinc/96/60/86/355966086.db2.gz HBCSHSJLXAAKNE-LLVKDONJSA-N 0 3 234.347 2.106 10 0 BEAEHN CCN1CC[C@H](Nc2ncnc3ccccc32)C1 ZINC000389341858 355972936 /nfs/dbraw/zinc/97/29/36/355972936.db2.gz JITWQALHNXAEGF-NSHDSACASA-N 0 3 242.326 2.136 10 0 BEAEHN NC(=O)CC[C@H](N)c1cc(Cl)ccc1Cl ZINC000037483927 181227971 /nfs/dbraw/zinc/22/79/71/181227971.db2.gz ZYARZEFMXKVZRK-VIFPVBQESA-N 0 3 247.125 2.259 10 0 BEAEHN CCC(F)(F)CN1C[C@@H]2CCCN2C[C@@H]1C ZINC000639489705 356306695 /nfs/dbraw/zinc/30/66/95/356306695.db2.gz SOUVJMAZHMDJNU-QWRGUYRKSA-N 0 3 232.318 2.200 10 0 BEAEHN CCC(F)(F)CN1C[C@H]2CCCN2C[C@H]1C ZINC000639489701 356306729 /nfs/dbraw/zinc/30/67/29/356306729.db2.gz SOUVJMAZHMDJNU-GHMZBOCLSA-N 0 3 232.318 2.200 10 0 BEAEHN Fc1cccc2cccc(N3CCNCC3)c12 ZINC000139234219 356435096 /nfs/dbraw/zinc/43/50/96/356435096.db2.gz CIRXNMWOLOTGND-UHFFFAOYSA-N 0 3 230.286 2.389 10 0 BEAEHN COc1c(CNCCCC2CC2)c(C)nn1C ZINC000130613425 363520201 /nfs/dbraw/zinc/52/02/01/363520201.db2.gz GJVHXMAYSMCRKZ-UHFFFAOYSA-N 0 3 237.347 2.017 10 0 BEAEHN CCOc1ccc([C@H](C)NCCCOC)o1 ZINC000675056130 538477728 /nfs/dbraw/zinc/47/77/28/538477728.db2.gz CVZHJLYFJFKCMS-JTQLQIEISA-N 0 3 227.304 2.365 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1nnc([C@@H](C)CC)[nH]1 ZINC000675061370 538487161 /nfs/dbraw/zinc/48/71/61/538487161.db2.gz ZWRAZIVBBAEYLO-HRDYMLBCSA-N 0 3 210.325 2.364 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1n[nH]c([C@@H](C)CC)n1 ZINC000675061370 538487164 /nfs/dbraw/zinc/48/71/64/538487164.db2.gz ZWRAZIVBBAEYLO-HRDYMLBCSA-N 0 3 210.325 2.364 10 0 BEAEHN Cc1cn2c(n1)[C@H](C(C)(C)C)NCCC2 ZINC000675068207 538495781 /nfs/dbraw/zinc/49/57/81/538495781.db2.gz NPXNHZHRIJRYJA-SNVBAGLBSA-N 0 3 207.321 2.272 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cc(OC)ns1 ZINC000399097630 366324591 /nfs/dbraw/zinc/32/45/91/366324591.db2.gz ZGCGAPVZSNDNEX-PSASIEDQSA-N 0 3 226.345 2.430 10 0 BEAEHN CCc1cn2c(n1)[C@H](CC1CC1)NCCC2 ZINC000675070030 538499736 /nfs/dbraw/zinc/49/97/36/538499736.db2.gz ZTUJTGXLDJYVQV-LBPRGKRZSA-N 0 3 219.332 2.280 10 0 BEAEHN COc1nc2c(C)c(F)ccc2cc1CN ZINC000675070248 538499920 /nfs/dbraw/zinc/49/99/20/538499920.db2.gz TXWPCMPBSMLDBT-UHFFFAOYSA-N 0 3 220.247 2.150 10 0 BEAEHN COc1ncccc1[C@H]1CCC[C@@H](C)N1 ZINC000675072299 538502624 /nfs/dbraw/zinc/50/26/24/538502624.db2.gz BFLOLNUPNRBJNJ-MWLCHTKSSA-N 0 3 206.289 2.293 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)C(C)C ZINC000167766720 134153907 /nfs/dbraw/zinc/15/39/07/134153907.db2.gz LQVXGMSKJZTRLH-MNOVXSKESA-N 0 3 236.363 2.310 10 0 BEAEHN Clc1cncc(OCCN2CCCC2)c1 ZINC000675076018 538510494 /nfs/dbraw/zinc/51/04/94/538510494.db2.gz IMPZYQDFPCQDBT-UHFFFAOYSA-N 0 3 226.707 2.210 10 0 BEAEHN COc1nc2c(F)cc(F)c(F)c2cc1CN ZINC000675069197 538498683 /nfs/dbraw/zinc/49/86/83/538498683.db2.gz CUHYUYNFBFBIFY-UHFFFAOYSA-N 0 3 242.200 2.119 10 0 BEAEHN CCCCOc1ccc(CNC2(CO)CC2)cc1 ZINC000120369477 357045970 /nfs/dbraw/zinc/04/59/70/357045970.db2.gz RLMGDYCHKMLOKG-UHFFFAOYSA-N 0 3 249.354 2.480 10 0 BEAEHN N[C@H]1c2cc(C(F)(F)F)ccc2CCC[C@H]1O ZINC000039941542 491110668 /nfs/dbraw/zinc/11/06/68/491110668.db2.gz TXQOOWJKBQMOQK-MNOVXSKESA-N 0 3 245.244 2.402 10 0 BEAEHN C[C@@H]1CN(C[C@H](O)C2CCCCC2)CCS1 ZINC000190515555 357713682 /nfs/dbraw/zinc/71/36/82/357713682.db2.gz YMTPEICVMZBCRA-YPMHNXCESA-N 0 3 243.416 2.365 10 0 BEAEHN CC[C@H](c1ccccc1)N1CCCN(C)C(=O)C1 ZINC000191084113 357748686 /nfs/dbraw/zinc/74/86/86/357748686.db2.gz YNWORIJVAAXLEE-CQSZACIVSA-N 0 3 246.354 2.302 10 0 BEAEHN OCCCCN1CCC[C@@H](c2nccs2)C1 ZINC000171065505 134257246 /nfs/dbraw/zinc/25/72/46/134257246.db2.gz HSYYIMPGPCWZOW-LLVKDONJSA-N 0 3 240.372 2.095 10 0 BEAEHN Cc1ccc(C)c2c1OC[C@H]([C@@H](C)N(C)C)O2 ZINC000584615055 358279443 /nfs/dbraw/zinc/27/94/43/358279443.db2.gz IOCBSRRBFCLPNI-VXGBXAGGSA-N 0 3 235.327 2.393 10 0 BEAEHN C[C@@H](NCc1ccc[nH]1)[C@@H](O)c1ccccc1 ZINC000584596089 358253960 /nfs/dbraw/zinc/25/39/60/358253960.db2.gz MXSFBJQVSIKKTL-BXUZGUMPSA-N 0 3 230.311 2.226 10 0 BEAEHN CCCC[C@H]1C[S@](=O)C[C@@H](CCC)N1 ZINC000584607373 358267761 /nfs/dbraw/zinc/26/77/61/358267761.db2.gz ZSGAFOHYCGFXFP-UHIISALHSA-N 0 3 217.378 2.066 10 0 BEAEHN CN1CCC[C@@H]([C@H](O)c2ccccc2)C1 ZINC000584631652 358314248 /nfs/dbraw/zinc/31/42/48/358314248.db2.gz ICUIFJSALYQOQF-CHWSQXEVSA-N 0 3 205.301 2.062 10 0 BEAEHN CC(C)(C(=N)c1ccccc1)N1CCOCC1 ZINC000584636045 358320534 /nfs/dbraw/zinc/32/05/34/358320534.db2.gz SUBLQIGHQQPIHV-UHFFFAOYSA-N 0 3 232.327 2.165 10 0 BEAEHN O=C1C[C@@H]2CCCCN2[C@@H]2CCCC[C@@H]12 ZINC000584640294 358326105 /nfs/dbraw/zinc/32/61/05/358326105.db2.gz WCDUTRLMENMCKQ-QJPTWQEYSA-N 0 3 207.317 2.373 10 0 BEAEHN COC[C@H](C)N1CCC[C@@H]1c1ccco1 ZINC000173414382 134274308 /nfs/dbraw/zinc/27/43/08/134274308.db2.gz WRVMWWPXRBFTES-WDEREUQCSA-N 0 3 209.289 2.451 10 0 BEAEHN CCC(=O)CN1CCSC(C)(C)CC1 ZINC000231055648 358579365 /nfs/dbraw/zinc/57/93/65/358579365.db2.gz GPXIFVQOOBUGLG-UHFFFAOYSA-N 0 3 215.362 2.183 10 0 BEAEHN C[C@@H]1CCS[C@H]([C@H]2CCSC2)N1 ZINC000300210487 358539158 /nfs/dbraw/zinc/53/91/58/358539158.db2.gz LQLIJEPBHNYBSU-HRDYMLBCSA-N 0 3 203.376 2.181 10 0 BEAEHN COC(=O)c1coc(CN[C@H](C)CC2CC2)c1 ZINC000130785213 358643633 /nfs/dbraw/zinc/64/36/33/358643633.db2.gz LIUSCTZGCBABGG-SECBINFHSA-N 0 3 237.299 2.344 10 0 BEAEHN CC[C@H](COC)N[C@H](CO)c1sccc1C ZINC000130454082 358626392 /nfs/dbraw/zinc/62/63/92/358626392.db2.gz OYOMEPGBEVEQSV-GHMZBOCLSA-N 0 3 243.372 2.105 10 0 BEAEHN CC(C)[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000130873279 358650684 /nfs/dbraw/zinc/65/06/84/358650684.db2.gz GVEROQBXUHZDIB-MNOVXSKESA-N 0 3 236.363 2.310 10 0 BEAEHN CC[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000131030976 358657799 /nfs/dbraw/zinc/65/77/99/358657799.db2.gz ONNXTAHFIVIHKE-VHSXEESVSA-N 0 3 222.336 2.064 10 0 BEAEHN COC(=O)c1coc(CN[C@H]2CC[C@H](C)C2)c1 ZINC000131276967 358667422 /nfs/dbraw/zinc/66/74/22/358667422.db2.gz QDIUKKIPIGMVOJ-ONGXEEELSA-N 0 3 237.299 2.344 10 0 BEAEHN c1ccc2oc(N3CCN4CCC[C@@H]4C3)nc2c1 ZINC000049320842 358682560 /nfs/dbraw/zinc/68/25/60/358682560.db2.gz SPAYTAIOGBTFKG-LLVKDONJSA-N 0 3 243.310 2.112 10 0 BEAEHN Cc1ccc(O)c(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000133562611 358758891 /nfs/dbraw/zinc/75/88/91/358758891.db2.gz JBFRPPZUOYPAJI-AWEZNQCLSA-N 0 3 248.326 2.171 10 0 BEAEHN COCCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000052011961 358771529 /nfs/dbraw/zinc/77/15/29/358771529.db2.gz GBCFZEXAEYEURJ-AWEZNQCLSA-N 0 3 237.318 2.479 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCCNC2=O)c(C)c1 ZINC000050394361 358726204 /nfs/dbraw/zinc/72/62/04/358726204.db2.gz GPNSLEIWCOHGAM-TZMCWYRMSA-N 0 3 246.354 2.233 10 0 BEAEHN CC[C@H](N[C@@H]1CCCNC1=O)c1cccs1 ZINC000050394686 358726339 /nfs/dbraw/zinc/72/63/39/358726339.db2.gz RESAWFSTGDUSGT-VHSXEESVSA-N 0 3 238.356 2.067 10 0 BEAEHN CC[C@@H](N[C@@H]1CCCNC1=O)c1cccs1 ZINC000050394687 358726606 /nfs/dbraw/zinc/72/66/06/358726606.db2.gz RESAWFSTGDUSGT-NXEZZACHSA-N 0 3 238.356 2.067 10 0 BEAEHN c1c(CNC2CC2)[nH]nc1-c1ccccc1 ZINC000050479241 358729954 /nfs/dbraw/zinc/72/99/54/358729954.db2.gz PMUJOIKZRAJTMV-UHFFFAOYSA-N 0 3 213.284 2.329 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1cncs1 ZINC000132632050 491137425 /nfs/dbraw/zinc/13/74/25/491137425.db2.gz JGVRKPDWYGORGA-GUBZILKMSA-N 0 3 226.345 2.097 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N[C@H](C)c1cccs1 ZINC000035736827 358948683 /nfs/dbraw/zinc/94/86/83/358948683.db2.gz VWMURHUMHCYYAZ-NXEZZACHSA-N 0 3 240.372 2.299 10 0 BEAEHN N[C@@H](c1ccsn1)[C@@H]1CCCCS1 ZINC000306184751 359002295 /nfs/dbraw/zinc/00/22/95/359002295.db2.gz FBOIDNVUBFRSKC-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NC[C@H]1CCCOC1 ZINC000070528884 359058571 /nfs/dbraw/zinc/05/85/71/359058571.db2.gz JVXUBWCXXSGCJC-YPMHNXCESA-N 0 3 233.311 2.136 10 0 BEAEHN CCCCCN1CCN(CCOCC)[C@@H](C)C1 ZINC000246725528 359159775 /nfs/dbraw/zinc/15/97/75/359159775.db2.gz OTNJEGGTXMEENO-AWEZNQCLSA-N 0 3 242.407 2.219 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1N[C@H]1CCCn2ncnc21 ZINC000246869123 359171078 /nfs/dbraw/zinc/17/10/78/359171078.db2.gz CVWYNKGSKLAJEI-WOPDTQHZSA-N 0 3 234.347 2.281 10 0 BEAEHN C[C@@H]1CCCC[C@H]1N[C@H]1CCCn2ncnc21 ZINC000246869097 359171503 /nfs/dbraw/zinc/17/15/03/359171503.db2.gz CVWYNKGSKLAJEI-UTUOFQBUSA-N 0 3 234.347 2.281 10 0 BEAEHN CCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248087884 359252630 /nfs/dbraw/zinc/25/26/30/359252630.db2.gz SYDDIGFZSNQYMV-ZFWWWQNUSA-N 0 3 246.354 2.348 10 0 BEAEHN C[C@H](c1ccccc1)N1CCO[C@@H](CN(C)C)C1 ZINC000247215518 359202399 /nfs/dbraw/zinc/20/23/99/359202399.db2.gz QBTIMEJJLHPLGP-HIFRSBDPSA-N 0 3 248.370 2.010 10 0 BEAEHN Cc1ccc(CN[C@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000247479208 359223329 /nfs/dbraw/zinc/22/33/29/359223329.db2.gz VZBLLNPKQPHVSA-RISCZKNCSA-N 0 3 236.359 2.406 10 0 BEAEHN C[C@H]1CN(CCCCO)[C@H]1c1ccccc1 ZINC000248339484 359265944 /nfs/dbraw/zinc/26/59/44/359265944.db2.gz IEPRMVLFPRAKJU-GXTWGEPZSA-N 0 3 219.328 2.452 10 0 BEAEHN C[C@@H](N)[C@@](C)(F)c1ccc(F)c(F)c1 ZINC000306216067 359323011 /nfs/dbraw/zinc/32/30/11/359323011.db2.gz PCNKCOQDFRIFJO-LHLIQPBNSA-N 0 3 203.207 2.497 10 0 BEAEHN C[C@H]1CN=C(NCCC(C)(F)F)S1 ZINC000306221643 359343577 /nfs/dbraw/zinc/34/35/77/359343577.db2.gz QDNPDQJTIUWKSJ-LURJTMIESA-N 0 3 208.277 2.113 10 0 BEAEHN C[C@@H]1OCC[C@@H]1NCC1(F)CCCC1 ZINC000306232636 359389132 /nfs/dbraw/zinc/38/91/32/359389132.db2.gz DUILJOBAVPRAGE-UWVGGRQHSA-N 0 3 201.285 2.036 10 0 BEAEHN Brc1ccc(C=C2CNC2)cc1 ZINC000086882143 359582365 /nfs/dbraw/zinc/58/23/65/359582365.db2.gz AXCXKLYWCHOJAC-UHFFFAOYSA-N 0 3 224.101 2.436 10 0 BEAEHN N[C@@H](c1ccoc1Br)C1=COCC1 ZINC000306369167 359698837 /nfs/dbraw/zinc/69/88/37/359698837.db2.gz IDAQYYQLIUKXFU-MRVPVSSYSA-N 0 3 244.088 2.346 10 0 BEAEHN FC(F)(F)[C@@H]1CC[C@H]1NC1CSC1 ZINC000306449334 360015526 /nfs/dbraw/zinc/01/55/26/360015526.db2.gz YDALIYLCYSILGP-RNFRBKRXSA-N 0 3 211.252 2.032 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)C1CCC1 ZINC000090227138 360067181 /nfs/dbraw/zinc/06/71/81/360067181.db2.gz KOJUOGQFIDNDLE-JOYOIKCWSA-N 0 3 234.347 2.200 10 0 BEAEHN CC[C@H](C)CN(C)Cc1c(C)nn(C)c1OC ZINC000091796478 360130798 /nfs/dbraw/zinc/13/07/98/360130798.db2.gz DZHLATFNBNEIOG-JTQLQIEISA-N 0 3 239.363 2.215 10 0 BEAEHN c1coc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810921 360201231 /nfs/dbraw/zinc/20/12/31/360201231.db2.gz ZUNGPTORLFPKMF-UHFFFAOYSA-N 0 3 231.299 2.382 10 0 BEAEHN COc1cc(C2(N)CCCCC2)sn1 ZINC000306532859 360392337 /nfs/dbraw/zinc/39/23/37/360392337.db2.gz GVIXKMARTXUUAR-UHFFFAOYSA-N 0 3 212.318 2.270 10 0 BEAEHN C[C@@H](n1cncc1[C@H](C)N)C(C)(F)F ZINC000306521580 360359186 /nfs/dbraw/zinc/35/91/86/360359186.db2.gz NHVYLSSMWSVWLY-NKWVEPMBSA-N 0 3 203.236 2.119 10 0 BEAEHN COC1([C@H]2NC[C@@H](C)S2)CCCCC1 ZINC000306536964 360403091 /nfs/dbraw/zinc/40/30/91/360403091.db2.gz KYGOBGDORRYVBI-ZJUUUORDSA-N 0 3 215.362 2.387 10 0 BEAEHN COC1([C@@H]2NC[C@@H](C)S2)CCCCC1 ZINC000306536961 360403187 /nfs/dbraw/zinc/40/31/87/360403187.db2.gz KYGOBGDORRYVBI-NXEZZACHSA-N 0 3 215.362 2.387 10 0 BEAEHN CC[C@]1([C@H]2CCOC2)N[C@@H](C)CCS1 ZINC000306545437 360414464 /nfs/dbraw/zinc/41/44/64/360414464.db2.gz VXDIKEWZBNMVPI-DCAQKATOSA-N 0 3 215.362 2.244 10 0 BEAEHN CN[C@H](C)c1ccncc1Br ZINC000238338593 360884425 /nfs/dbraw/zinc/88/44/25/360884425.db2.gz GFHCDVNFANIQAO-ZCFIWIBFSA-N 0 3 215.094 2.125 10 0 BEAEHN CCCCN(C(=O)[C@@H](C)NC)c1ccccc1 ZINC000081581324 360943709 /nfs/dbraw/zinc/94/37/09/360943709.db2.gz YJUALWWBHSUWDR-GFCCVEGCSA-N 0 3 234.343 2.428 10 0 BEAEHN NCc1cnc(-c2ccc3c(c2)CCO3)s1 ZINC000040996886 361068286 /nfs/dbraw/zinc/06/82/86/361068286.db2.gz LTRCNPXOGRESRB-UHFFFAOYSA-N 0 3 232.308 2.204 10 0 BEAEHN C[C@H]1CCC[C@H](NCc2cnns2)C1 ZINC000306617400 361173285 /nfs/dbraw/zinc/17/32/85/361173285.db2.gz QOGZDRMAFHGVOT-IUCAKERBSA-N 0 3 211.334 2.206 10 0 BEAEHN CC[C@H](C)[C@H](N)c1cc(Cl)cnc1N ZINC000069943637 361178096 /nfs/dbraw/zinc/17/80/96/361178096.db2.gz PHVAJJONPAGZFQ-RCOVLWMOSA-N 0 3 213.712 2.363 10 0 BEAEHN N[C@@H](c1nc2c(s1)CCCC2)C1CC1 ZINC000041059400 361221379 /nfs/dbraw/zinc/22/13/79/361221379.db2.gz SONKJVIYOOMHOJ-SNVBAGLBSA-N 0 3 208.330 2.432 10 0 BEAEHN NC1(c2nc3cccnc3[nH]2)CCCCC1 ZINC000044264489 181335068 /nfs/dbraw/zinc/33/50/68/181335068.db2.gz ILBKKNIPYHNFPC-UHFFFAOYSA-N 0 3 216.288 2.076 10 0 BEAEHN [NH3+]C1(c2nc3cccnc3[n-]2)CCCCC1 ZINC000044264489 181335070 /nfs/dbraw/zinc/33/50/70/181335070.db2.gz ILBKKNIPYHNFPC-UHFFFAOYSA-N 0 3 216.288 2.076 10 0 BEAEHN NC1(c2nncn2-c2ccccc2)CCCCC1 ZINC000054526709 181336599 /nfs/dbraw/zinc/33/65/99/181336599.db2.gz WFPYYVKZFKICHJ-UHFFFAOYSA-N 0 3 242.326 2.385 10 0 BEAEHN C[C@H](NCC1(O)CCCC1)c1cncs1 ZINC000133627936 491158473 /nfs/dbraw/zinc/15/84/73/491158473.db2.gz OOKCACXOAFMLGL-VIFPVBQESA-N 0 3 226.345 2.099 10 0 BEAEHN Cc1ccc(CNCc2cn[nH]c2)c(C)c1 ZINC000038005569 361513197 /nfs/dbraw/zinc/51/31/97/361513197.db2.gz PMXJKOSFNZYEND-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN C[C@@H]1C[C@]1(N)c1ccncc1Br ZINC000306637881 361585693 /nfs/dbraw/zinc/58/56/93/361585693.db2.gz MPNVPPYKUXDUTH-HZGVNTEJSA-N 0 3 227.105 2.038 10 0 BEAEHN CC(C)C[C@H](C)CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170868576 364546651 /nfs/dbraw/zinc/54/66/51/364546651.db2.gz DJFDXFVSDUOVMQ-QWHCGFSZSA-N 0 3 240.391 2.221 10 0 BEAEHN CN(C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000170868215 364546927 /nfs/dbraw/zinc/54/69/27/364546927.db2.gz DKSSMZLUGUBYSJ-ZDUSSCGKSA-N 0 3 238.375 2.119 10 0 BEAEHN CC(C)C[C@@H](C)CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170868575 364546996 /nfs/dbraw/zinc/54/69/96/364546996.db2.gz DJFDXFVSDUOVMQ-CHWSQXEVSA-N 0 3 240.391 2.221 10 0 BEAEHN CC(C)C[C@@H](C)CC(=O)N1CC[C@H](N(C)C)C1 ZINC000170868571 364547064 /nfs/dbraw/zinc/54/70/64/364547064.db2.gz DJFDXFVSDUOVMQ-OLZOCXBDSA-N 0 3 240.391 2.221 10 0 BEAEHN O[C@@H]1CCC[C@@H](N[C@H]2CCCc3cccnc32)C1 ZINC000252545763 541450040 /nfs/dbraw/zinc/45/00/40/541450040.db2.gz JRLOWOSKDNLSAZ-MCIONIFRSA-N 0 3 246.354 2.352 10 0 BEAEHN COc1c(CN[C@H]2CC23CCCC3)c(C)nn1C ZINC000386901910 368032803 /nfs/dbraw/zinc/03/28/03/368032803.db2.gz LYRACLPTZXSWMB-LBPRGKRZSA-N 0 3 249.358 2.159 10 0 BEAEHN C[C@H]1CN(C[C@H]2CCCCC2=O)CCS1 ZINC000252980716 368176871 /nfs/dbraw/zinc/17/68/71/368176871.db2.gz NSNAJGSINAMNIW-WDEREUQCSA-N 0 3 227.373 2.183 10 0 BEAEHN CC(=O)Nc1cccc(C(=O)[C@H](C)NC(C)C)c1 ZINC000033638438 368320809 /nfs/dbraw/zinc/32/08/09/368320809.db2.gz CIYUJYPWSOZEMA-JTQLQIEISA-N 0 3 248.326 2.214 10 0 BEAEHN C[C@H](N)c1nn(C)c2c1cccc2Cl ZINC000107449094 368489281 /nfs/dbraw/zinc/48/92/81/368489281.db2.gz VZZANOOMKCPQQS-LURJTMIESA-N 0 3 209.680 2.246 10 0 BEAEHN CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000000346678 368539611 /nfs/dbraw/zinc/53/96/11/368539611.db2.gz ISGZTZNRWOQFNW-UHFFFAOYSA-N 0 3 221.275 2.350 10 0 BEAEHN CN(C)CC[C@H](O)c1cc(-c2ccccc2)no1 ZINC000002029653 368740458 /nfs/dbraw/zinc/74/04/58/368740458.db2.gz KWJLXLLJFQTXHJ-ZDUSSCGKSA-N 0 3 246.310 2.327 10 0 BEAEHN CCO[C@@H](C1=NC[C@@H](C)N1)c1ccccc1 ZINC000002010280 368734451 /nfs/dbraw/zinc/73/44/51/368734451.db2.gz QQBOGZMGQOAYOZ-ZYHUDNBSSA-N 0 3 218.300 2.154 10 0 BEAEHN Cc1cccc(CN[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085637647 368867568 /nfs/dbraw/zinc/86/75/68/368867568.db2.gz GAIKMRXLJLWJHI-IHRRRGAJSA-N 0 3 246.354 2.293 10 0 BEAEHN COc1cc2c(c(F)c1)NC(=O)C2SC ZINC000088325338 368910956 /nfs/dbraw/zinc/91/09/56/368910956.db2.gz BNMMWQHUVIAAQH-VIFPVBQESA-N 0 3 227.260 2.191 10 0 BEAEHN COc1ccc2c(c1)[C@H](N)CC(C)(C)C2=O ZINC000114854652 368956668 /nfs/dbraw/zinc/95/66/68/368956668.db2.gz OUESEJKQHNDBKF-LLVKDONJSA-N 0 3 219.284 2.308 10 0 BEAEHN NC[C@H](O)c1cc2cccc(Cl)c2o1 ZINC000082964463 181451355 /nfs/dbraw/zinc/45/13/55/181451355.db2.gz JWYXPTOZKCLOJY-QMMMGPOBSA-N 0 3 211.648 2.078 10 0 BEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccccc2)C1 ZINC000078642185 370583078 /nfs/dbraw/zinc/58/30/78/370583078.db2.gz NDKHNGAJTAXILL-ZFWWWQNUSA-N 0 3 248.370 2.058 10 0 BEAEHN N[C@@H](Cc1cccc(Cl)c1)c1cncnc1 ZINC000052886985 181555589 /nfs/dbraw/zinc/55/55/89/181555589.db2.gz ITKKUUDDAMQBFS-LBPRGKRZSA-N 0 3 233.702 2.373 10 0 BEAEHN N[C@@H]1CCC[S@@](=O)c2c(Cl)cccc21 ZINC000040973855 181586510 /nfs/dbraw/zinc/58/65/10/181586510.db2.gz BASJHFHBNVWQNC-OTYXRUKQSA-N 0 3 229.732 2.241 10 0 BEAEHN N[C@H](COC[C@@H]1CCCCO1)c1ccccc1 ZINC000019268775 181621480 /nfs/dbraw/zinc/62/14/80/181621480.db2.gz DTUISGFGHVXWRI-UONOGXRCSA-N 0 3 235.327 2.272 10 0 BEAEHN N[C@H](Cc1cccs1)c1cscn1 ZINC000082374055 181627046 /nfs/dbraw/zinc/62/70/46/181627046.db2.gz CSIWMQJBPFJUOB-MRVPVSSYSA-N 0 3 210.327 2.447 10 0 BEAEHN N[C@H](Cc1ccccn1)c1ccccc1F ZINC000020429132 181627325 /nfs/dbraw/zinc/62/73/25/181627325.db2.gz MGYXVXSZAHLGDM-CYBMUJFWSA-N 0 3 216.259 2.463 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1c(C)cccc1C ZINC000126526342 371532142 /nfs/dbraw/zinc/53/21/42/371532142.db2.gz DAFSIGBANZHXSM-LLVKDONJSA-N 0 3 221.300 2.256 10 0 BEAEHN C[C@@H]1C[C@@H]2CN(Cc3ccccn3)CC[C@@H]2O1 ZINC000249701304 259547398 /nfs/dbraw/zinc/54/73/98/259547398.db2.gz YJUILXHWEKGUKU-BZPMIXESSA-N 0 3 232.327 2.081 10 0 BEAEHN Nc1ccccc1SCCN1CCCC1 ZINC000020254075 181758287 /nfs/dbraw/zinc/75/82/87/181758287.db2.gz LAWVXRHTWFAOCE-UHFFFAOYSA-N 0 3 222.357 2.457 10 0 BEAEHN C[C@H]1C[C@]1(N)c1ccc(Br)cn1 ZINC000133347909 372027728 /nfs/dbraw/zinc/02/77/28/372027728.db2.gz RCXAGVMYYZARSM-IMTBSYHQSA-N 0 3 227.105 2.038 10 0 BEAEHN CC[C@@H]1C[C@@]1(N)c1ncccc1Br ZINC000133348934 372027775 /nfs/dbraw/zinc/02/77/75/372027775.db2.gz NZSFFWIJHCSJKT-XCBNKYQSSA-N 0 3 241.132 2.428 10 0 BEAEHN Nc1ccncc1NCc1ccsc1 ZINC000306562609 372037340 /nfs/dbraw/zinc/03/73/40/372037340.db2.gz OHMJMHHSEHKUMS-UHFFFAOYSA-N 0 3 205.286 2.337 10 0 BEAEHN C1C[C@H]2CC3(C[C@@H]1S2)NCCCS3 ZINC000403559853 372006179 /nfs/dbraw/zinc/00/61/79/372006179.db2.gz CCDCHQGEWVIKLG-ULKQDVFKSA-N 0 3 215.387 2.467 10 0 BEAEHN NCc1c(F)cccc1OC(F)(F)F ZINC000306297180 372007819 /nfs/dbraw/zinc/00/78/19/372007819.db2.gz MKYAKLHWZUQYBP-UHFFFAOYSA-N 0 3 209.142 2.183 10 0 BEAEHN Cc1cc([C@H](F)[C@@H]2CCCN2)sn1 ZINC000306346974 372012867 /nfs/dbraw/zinc/01/28/67/372012867.db2.gz BUKOBZFDIOFKGO-IONNQARKSA-N 0 3 200.282 2.214 10 0 BEAEHN N[C@@H](c1nscc1Br)C1CC1 ZINC000404804737 372116825 /nfs/dbraw/zinc/11/68/25/372116825.db2.gz MOZFGMFTWZLUNC-ZCFIWIBFSA-N 0 3 233.134 2.315 10 0 BEAEHN CC(C)(N)c1nc(-c2cncs2)cs1 ZINC000229139369 372122685 /nfs/dbraw/zinc/12/26/85/372122685.db2.gz IEZMJIDAWLANHK-UHFFFAOYSA-N 0 3 225.342 2.460 10 0 BEAEHN C[C@@H]1CCSC(NC[C@H]2CCCS2)=N1 ZINC000133718597 372095089 /nfs/dbraw/zinc/09/50/89/372095089.db2.gz VXRIQZBIAYHWQN-RKDXNWHRSA-N 0 3 230.402 2.353 10 0 BEAEHN CC[C@@H](N)c1ccoc1Br ZINC000229299909 372138007 /nfs/dbraw/zinc/13/80/07/372138007.db2.gz FJJXROTWFJZFCQ-ZCFIWIBFSA-N 0 3 204.067 2.452 10 0 BEAEHN Cc1cc([C@H](N)[C@@H]2OCC[C@@H]2C)cs1 ZINC000229451635 372153002 /nfs/dbraw/zinc/15/30/02/372153002.db2.gz ZEUPLSQHQUUIRV-BKDNQFJXSA-N 0 3 211.330 2.481 10 0 BEAEHN C[C@@H](C1CCCC1)N1CCC(=O)[C@H](C)C1 ZINC000069805182 373812490 /nfs/dbraw/zinc/81/24/90/373812490.db2.gz SCUOXWHJRIMWCV-MNOVXSKESA-N 0 3 209.333 2.476 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000040854136 373837207 /nfs/dbraw/zinc/83/72/07/373837207.db2.gz GPPCICGSVGYVCX-TVQRCGJNSA-N 0 3 248.326 2.201 10 0 BEAEHN O[C@@]12CCCC[C@@H]1CN(C/C=C/Cl)CC2 ZINC000220393488 134306322 /nfs/dbraw/zinc/30/63/22/134306322.db2.gz YFFFRCZWKOHWOI-BKZLJMBUSA-N 0 3 229.751 2.366 10 0 BEAEHN C[C@H]1CCCC[C@H]1CN1CCC(=O)CC1 ZINC000042863749 374295096 /nfs/dbraw/zinc/29/50/96/374295096.db2.gz LHZRHDMATNZBID-RYUDHWBXSA-N 0 3 209.333 2.478 10 0 BEAEHN Cc1cc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000459544149 206133142 /nfs/dbraw/zinc/13/31/42/206133142.db2.gz QGDLJNUKRFLTMY-PEGIJTEDSA-N 0 3 238.331 2.276 10 0 BEAEHN Cc1cc(CNCC2C[C@@H](C)O[C@H](C)C2)no1 ZINC000459544147 206134377 /nfs/dbraw/zinc/13/43/77/206134377.db2.gz QGDLJNUKRFLTMY-NXEZZACHSA-N 0 3 238.331 2.276 10 0 BEAEHN OCCNC1c2ccccc2Cc2ccccc21 ZINC000061669812 183076435 /nfs/dbraw/zinc/07/64/35/183076435.db2.gz UMEYTRIJHYNYQY-UHFFFAOYSA-N 0 3 239.318 2.262 10 0 BEAEHN OC[C@@H]1CCCCN(Cc2ccccc2F)C1 ZINC000374051015 183116230 /nfs/dbraw/zinc/11/62/30/183116230.db2.gz NVTRZAOTHNLJGR-GFCCVEGCSA-N 0 3 237.318 2.420 10 0 BEAEHN OC[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC000219011702 183118544 /nfs/dbraw/zinc/11/85/44/183118544.db2.gz IDDOLDGPUGJXJA-GXTWGEPZSA-N 0 3 237.318 2.466 10 0 BEAEHN CCCC[C@H](N)c1nc2ccccc2n1CCO ZINC000019750294 169009618 /nfs/dbraw/zinc/00/96/18/169009618.db2.gz BDPVFNDXFXFWFF-NSHDSACASA-N 0 3 247.342 2.219 10 0 BEAEHN OC[C@@H](NC1CCCC1)c1ccsc1 ZINC000038122869 183107093 /nfs/dbraw/zinc/10/70/93/183107093.db2.gz CAQFKGHKIHHTIM-LLVKDONJSA-N 0 3 211.330 2.314 10 0 BEAEHN CCCCc1ccc(N2CC[C@@H](NC)C2=O)cc1 ZINC000049648134 169021160 /nfs/dbraw/zinc/02/11/60/169021160.db2.gz FFWLTHSQOJRUAG-CQSZACIVSA-N 0 3 246.354 2.354 10 0 BEAEHN OC[C@H](NC1CCCC1)c1ccsc1 ZINC000038122870 183140044 /nfs/dbraw/zinc/14/00/44/183140044.db2.gz CAQFKGHKIHHTIM-NSHDSACASA-N 0 3 211.330 2.314 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2cccc(F)c2F)C1 ZINC000104238355 183196224 /nfs/dbraw/zinc/19/62/24/183196224.db2.gz UVBRAHASPKQPHQ-WDEREUQCSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC000041225906 183201702 /nfs/dbraw/zinc/20/17/02/183201702.db2.gz XRZQAVLNSRKLHS-MNOVXSKESA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1F ZINC000051017291 183188820 /nfs/dbraw/zinc/18/88/20/183188820.db2.gz JHFJIAYKZJCHAW-QWHCGFSZSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1ccccc1F ZINC000037490890 183189565 /nfs/dbraw/zinc/18/95/65/183189565.db2.gz BPAIEUUQGPYDQR-QWHCGFSZSA-N 0 3 223.291 2.219 10 0 BEAEHN O[C@H](CNC1CC1)c1cc(Cl)ccc1F ZINC000083264710 183222757 /nfs/dbraw/zinc/22/27/57/183222757.db2.gz LZLKCBFEYWYLJM-LLVKDONJSA-N 0 3 229.682 2.265 10 0 BEAEHN CCCN(C)[C@H](CN)c1ccccc1OCC ZINC000020226159 169087891 /nfs/dbraw/zinc/08/78/91/169087891.db2.gz KVXQGZSHIZXKPW-CYBMUJFWSA-N 0 3 236.359 2.427 10 0 BEAEHN O[C@H](c1ccccc1)[C@@H]1CC2CCN1CC2 ZINC000029489160 183229738 /nfs/dbraw/zinc/22/97/38/183229738.db2.gz PWPTXBISWPQFLV-UONOGXRCSA-N 0 3 217.312 2.204 10 0 BEAEHN CCCN(C/C=C\c1ccccc1OC)CCO ZINC000005870665 169090625 /nfs/dbraw/zinc/09/06/25/169090625.db2.gz YRFDGJPOYVTSQM-VURMDHGXSA-N 0 3 249.354 2.413 10 0 BEAEHN O[C@H]1CCCC[C@@H]1N1CCc2ccc(F)cc2C1 ZINC000270544783 183231893 /nfs/dbraw/zinc/23/18/93/183231893.db2.gz SBISLWQYZAWJBQ-GJZGRUSLSA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H]1CCCC[C@H]1N1CCc2ccc(F)cc2C1 ZINC000270544780 183232408 /nfs/dbraw/zinc/23/24/08/183232408.db2.gz SBISLWQYZAWJBQ-CABCVRRESA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H]1CCCN[C@H]1c1cccc(Cl)c1 ZINC000060114287 183235825 /nfs/dbraw/zinc/23/58/25/183235825.db2.gz FWZXKAJWPUSUIW-QWRGUYRKSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H]1CCCN[C@@H]1c1cccc(Cl)c1 ZINC000060114285 183235929 /nfs/dbraw/zinc/23/59/29/183235929.db2.gz FWZXKAJWPUSUIW-WDEREUQCSA-N 0 3 211.692 2.125 10 0 BEAEHN CCCN(CC(F)(F)F)c1cccc(CN)n1 ZINC000051397242 169107573 /nfs/dbraw/zinc/10/75/73/169107573.db2.gz NJAZAIYZSVSNIU-UHFFFAOYSA-N 0 3 247.264 2.319 10 0 BEAEHN CCCN(CC)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000037094464 169132686 /nfs/dbraw/zinc/13/26/86/169132686.db2.gz QSDIZJTYOPFVNG-LLVKDONJSA-N 0 3 249.358 2.328 10 0 BEAEHN CCCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)NC ZINC000054074771 169174482 /nfs/dbraw/zinc/17/44/82/169174482.db2.gz WXOYPRPAFLQBNM-CYBMUJFWSA-N 0 3 248.370 2.342 10 0 BEAEHN c1cc(CCNC2=NC[C@H](C3CC3)S2)ccn1 ZINC000071307301 183338431 /nfs/dbraw/zinc/33/84/31/183338431.db2.gz CTZCNNPKAXVBFS-GFCCVEGCSA-N 0 3 247.367 2.095 10 0 BEAEHN CCCNC(=O)CNCC[C@@H](C)c1ccccc1 ZINC000043533469 169226304 /nfs/dbraw/zinc/22/63/04/169226304.db2.gz FLPFWDSMLYTOGD-CYBMUJFWSA-N 0 3 248.370 2.296 10 0 BEAEHN CCCNCC(=O)c1ccc(CC)cc1 ZINC000041611804 169256236 /nfs/dbraw/zinc/25/62/36/169256236.db2.gz PAGAXEPJPPLXLI-UHFFFAOYSA-N 0 3 205.301 2.431 10 0 BEAEHN c1nc(-c2ccccn2)sc1CNC1CC1 ZINC000040996764 183383715 /nfs/dbraw/zinc/38/37/15/183383715.db2.gz CKZAXXFOYBXFIE-UHFFFAOYSA-N 0 3 231.324 2.457 10 0 BEAEHN CCCN[C@H](C)c1csc(CCN(C)C)n1 ZINC000076810805 169288016 /nfs/dbraw/zinc/28/80/16/169288016.db2.gz KMGNVPBOMGGGGK-SNVBAGLBSA-N 0 3 241.404 2.308 10 0 BEAEHN CCCN[C@H](C)c1nc2cccnc2[nH]1 ZINC000062366689 169288249 /nfs/dbraw/zinc/28/82/49/169288249.db2.gz BOASYROIPMOVHF-MRVPVSSYSA-N 0 3 204.277 2.019 10 0 BEAEHN CCC[NH2+][C@H](C)c1nc2cccnc2[n-]1 ZINC000062366689 169288250 /nfs/dbraw/zinc/28/82/50/169288250.db2.gz BOASYROIPMOVHF-MRVPVSSYSA-N 0 3 204.277 2.019 10 0 BEAEHN c1ccc(C2CC(CNC3COC3)C2)cc1 ZINC000309627226 183389565 /nfs/dbraw/zinc/38/95/65/183389565.db2.gz QKLFBJCZIZRDCH-UHFFFAOYSA-N 0 3 217.312 2.169 10 0 BEAEHN CCCNCc1cc(NC(C)=O)ccc1OC ZINC000096890684 169265360 /nfs/dbraw/zinc/26/53/60/169265360.db2.gz ZAFUIOCLLAZDNU-UHFFFAOYSA-N 0 3 236.315 2.153 10 0 BEAEHN CCCNCc1csc(N(CC)CC)n1 ZINC000070681758 169268879 /nfs/dbraw/zinc/26/88/79/169268879.db2.gz FDMTWFJWADLXLQ-UHFFFAOYSA-N 0 3 227.377 2.489 10 0 BEAEHN CCCNCc1sc(COC)nc1CC ZINC000082424763 169270015 /nfs/dbraw/zinc/27/00/15/169270015.db2.gz NKINZOVSBAOBKS-UHFFFAOYSA-N 0 3 228.361 2.352 10 0 BEAEHN CCCN[C@@H](CC(=O)OC)c1ccccc1 ZINC000083351356 169277040 /nfs/dbraw/zinc/27/70/40/169277040.db2.gz FZPTVQGQIZVXEV-LBPRGKRZSA-N 0 3 221.300 2.290 10 0 BEAEHN CCCN[C@@H](C[C@@H]1CCCO1)c1cncnc1 ZINC000052887143 169278842 /nfs/dbraw/zinc/27/88/42/169278842.db2.gz MQWQYOYANPJBDV-STQMWFEESA-N 0 3 235.331 2.086 10 0 BEAEHN CCCN[C@@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976242 169283145 /nfs/dbraw/zinc/28/31/45/169283145.db2.gz KXBWDHBFPYXWCO-BDJLRTHQSA-N 0 3 241.331 2.378 10 0 BEAEHN CCCOc1ccc(C(=O)[C@H]2CCCN2)cc1 ZINC000071536945 169317221 /nfs/dbraw/zinc/31/72/21/169317221.db2.gz CQCDEMDXFAAXBK-CYBMUJFWSA-N 0 3 233.311 2.410 10 0 BEAEHN CCCO[C@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000037024987 169312823 /nfs/dbraw/zinc/31/28/23/169312823.db2.gz IOWJCHVCCUZEAF-KBPBESRZSA-N 0 3 235.327 2.436 10 0 BEAEHN CCCN[C@H]1CCN(c2cccc(CC)c2)C1=O ZINC000049647840 169292027 /nfs/dbraw/zinc/29/20/27/169292027.db2.gz ITCIGFXWYLMRDQ-AWEZNQCLSA-N 0 3 246.354 2.354 10 0 BEAEHN CCCN[C@H]1COc2c1cc(C)cc2OC ZINC000035652543 169292922 /nfs/dbraw/zinc/29/29/22/169292922.db2.gz DZGRSOVNCBQJIZ-NSHDSACASA-N 0 3 221.300 2.437 10 0 BEAEHN CCCOc1ccc([C@@H](O)CN(C)C)cc1 ZINC000044122500 169321314 /nfs/dbraw/zinc/32/13/14/169321314.db2.gz JGFUQEHTYFXFAG-ZDUSSCGKSA-N 0 3 223.316 2.070 10 0 BEAEHN CCCOc1cccc2c1OC[C@H]2NC ZINC000035655258 169327023 /nfs/dbraw/zinc/32/70/23/169327023.db2.gz CRAMDXIHUCVXIW-SNVBAGLBSA-N 0 3 207.273 2.128 10 0 BEAEHN CCC[C@@H](C)C(=O)N[C@@H](CN)c1ccccc1 ZINC000104319329 169352289 /nfs/dbraw/zinc/35/22/89/169352289.db2.gz LDTBSLAGJOVYIP-YPMHNXCESA-N 0 3 234.343 2.239 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NC[C@H]1CCSC1 ZINC000224427571 134347111 /nfs/dbraw/zinc/34/71/11/134347111.db2.gz UDDHEENFTIDDPP-ZYHUDNBSSA-N 0 3 235.352 2.463 10 0 BEAEHN CCOCCN[C@H]1CCc2c1cccc2O ZINC000036852843 383913499 /nfs/dbraw/zinc/91/34/99/383913499.db2.gz HXGYEUVWOJKMEO-LBPRGKRZSA-N 0 3 221.300 2.006 10 0 BEAEHN N[C@@H](COC(F)(F)F)c1ccccc1 ZINC000068576568 383999158 /nfs/dbraw/zinc/99/91/58/383999158.db2.gz LRUXMHNYRNKJEM-QMMMGPOBSA-N 0 3 205.179 2.223 10 0 BEAEHN C[C@@H](CCc1ccco1)NCc1cncnc1 ZINC000054767123 383954751 /nfs/dbraw/zinc/95/47/51/383954751.db2.gz YOAHGVMGASOXQS-NSHDSACASA-N 0 3 231.299 2.181 10 0 BEAEHN NCc1ccc(C(=O)c2ccsc2)s1 ZINC000090397614 384044790 /nfs/dbraw/zinc/04/47/90/384044790.db2.gz FIJWNBRMTBKCFS-UHFFFAOYSA-N 0 3 223.322 2.499 10 0 BEAEHN CN(C)C[C@]1(C)Cc2sccc2C1=O ZINC000004934687 384091578 /nfs/dbraw/zinc/09/15/78/384091578.db2.gz WBSYDCDKHPIOFZ-NSHDSACASA-N 0 3 209.314 2.055 10 0 BEAEHN COC(=O)c1ccc(-c2cnccc2N)cc1 ZINC000091351952 384121312 /nfs/dbraw/zinc/12/13/12/384121312.db2.gz XIAQEULQNRTMIE-UHFFFAOYSA-N 0 3 228.251 2.117 10 0 BEAEHN CC[C@H](COC)N[C@H]1COc2ccccc21 ZINC000070624490 384124674 /nfs/dbraw/zinc/12/46/74/384124674.db2.gz XDMUTOJXWQWLJR-PWSUYJOCSA-N 0 3 221.300 2.135 10 0 BEAEHN c1cn2c(n1)[C@H](C1CCCC1)NCCC2 ZINC000257196338 384145879 /nfs/dbraw/zinc/14/58/79/384145879.db2.gz YAPYVPQZPIXNLJ-NSHDSACASA-N 0 3 205.305 2.108 10 0 BEAEHN N[C@@H]1CCOc2cc(F)c(Br)cc21 ZINC000116924320 384161014 /nfs/dbraw/zinc/16/10/14/384161014.db2.gz SBMBPLQOIUUGJK-MRVPVSSYSA-N 0 3 246.079 2.371 10 0 BEAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(F)cn1 ZINC000092195564 384167395 /nfs/dbraw/zinc/16/73/95/384167395.db2.gz PHAXSFRYJUURLX-KWBADKCTSA-N 0 3 238.306 2.439 10 0 BEAEHN Cc1ccc([O-])c(C[NH+]2C[C@@H](C)[C@H](C)C2)n1 ZINC000132752125 384249117 /nfs/dbraw/zinc/24/91/17/384249117.db2.gz MAAAYZDEEFLEDW-NXEZZACHSA-N 0 3 220.316 2.183 10 0 BEAEHN CCc1ccc(CNC[C@H](O)C(C)(C)C)o1 ZINC000133699325 384308674 /nfs/dbraw/zinc/30/86/74/384308674.db2.gz HPILEMABVIVNJB-LBPRGKRZSA-N 0 3 225.332 2.339 10 0 BEAEHN CCSCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000300045858 384285751 /nfs/dbraw/zinc/28/57/51/384285751.db2.gz AVRJUHZSLKBSMX-CHWSQXEVSA-N 0 3 242.432 2.298 10 0 BEAEHN CCC[C@@H](C(=O)NC[C@@H](C)C(C)C)N(C)C ZINC000179404204 384286614 /nfs/dbraw/zinc/28/66/14/384286614.db2.gz TZFGYNXHOZMLCW-NEPJUHHUSA-N 0 3 228.380 2.125 10 0 BEAEHN C[C@@H]1Sc2cc(F)c(F)cc2[C@H]1N ZINC000043636038 384290108 /nfs/dbraw/zinc/29/01/08/384290108.db2.gz OUOGPHPRMJHWJU-IGJIYHIXSA-N 0 3 201.241 2.459 10 0 BEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1cccs1 ZINC000282498947 384297343 /nfs/dbraw/zinc/29/73/43/384297343.db2.gz YADXDOIWVNXOSI-LPEHRKFASA-N 0 3 238.356 2.066 10 0 BEAEHN C[C@@H]1OCC[C@@H]1NCc1cc(F)c(F)c(F)c1 ZINC000134244475 384342550 /nfs/dbraw/zinc/34/25/50/384342550.db2.gz OODLEELZDBEJMN-CPCISQLKSA-N 0 3 245.244 2.371 10 0 BEAEHN C[C@@H]1C[C@@H](N[C@H](CN(C)C)c2ccccc2)CO1 ZINC000401961353 384344793 /nfs/dbraw/zinc/34/47/93/384344793.db2.gz WUALGIJVVNNWQF-BPLDGKMQSA-N 0 3 248.370 2.056 10 0 BEAEHN COC[C@H](N)c1cccc(Br)c1 ZINC000077358930 384404700 /nfs/dbraw/zinc/40/47/00/384404700.db2.gz OXIKOZKITYOZAS-VIFPVBQESA-N 0 3 230.105 2.095 10 0 BEAEHN FC(F)(F)[C@H]1CNCCN1Cc1ccccc1 ZINC000095930327 384410531 /nfs/dbraw/zinc/41/05/31/384410531.db2.gz CTFBUVNLDHEKNL-LLVKDONJSA-N 0 3 244.260 2.023 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc2c(c1)OCO2 ZINC000135300547 384434734 /nfs/dbraw/zinc/43/47/34/384434734.db2.gz UBSCRJBEUIZFKU-JBLDHEPKSA-N 0 3 249.310 2.243 10 0 BEAEHN COc1ccc(C)cc1CN1C[C@H](C)C[C@@H](O)C1 ZINC000334746164 384486704 /nfs/dbraw/zinc/48/67/04/384486704.db2.gz OHGOXMWVUZSJSD-TZMCWYRMSA-N 0 3 249.354 2.206 10 0 BEAEHN C[C@H](NC(=O)[C@H](C)N1CCCC1)c1ccccc1 ZINC000048419030 384489667 /nfs/dbraw/zinc/48/96/67/384489667.db2.gz NSYHBMRVQMRYRE-STQMWFEESA-N 0 3 246.354 2.348 10 0 BEAEHN NC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 ZINC000026014257 384511270 /nfs/dbraw/zinc/51/12/70/384511270.db2.gz BPDAOPLNZXIVQI-JKSUJKDBSA-N 0 3 236.318 2.089 10 0 BEAEHN Cc1c(CN[C@@H]2CC23CCCC3)cnn1C ZINC000335868490 384531109 /nfs/dbraw/zinc/53/11/09/384531109.db2.gz PZIRHANQGCWPPA-GFCCVEGCSA-N 0 3 219.332 2.151 10 0 BEAEHN CCc1cccc(C)c1NC(=O)[C@@H](C)NC ZINC000052395622 384537440 /nfs/dbraw/zinc/53/74/40/384537440.db2.gz JORPPYMZDZTTDY-SNVBAGLBSA-N 0 3 220.316 2.104 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@H]2CCCNC2=O)c(C)c1 ZINC000050394363 384622284 /nfs/dbraw/zinc/62/22/84/384622284.db2.gz GPNSLEIWCOHGAM-OCCSQVGLSA-N 0 3 246.354 2.233 10 0 BEAEHN Nc1nc2c(s1)CN(C1CCCCC1)CC2 ZINC000098179870 384600671 /nfs/dbraw/zinc/60/06/71/384600671.db2.gz JSONDQZTTLQUQL-UHFFFAOYSA-N 0 3 237.372 2.416 10 0 BEAEHN Clc1cccc2c1cc1n2CCNC1 ZINC000082378383 384674835 /nfs/dbraw/zinc/67/48/35/384674835.db2.gz SEKFVHALSLGJKW-UHFFFAOYSA-N 0 3 206.676 2.398 10 0 BEAEHN c1nc2n(n1)CCC[C@H]2NC[C@@H]1CC=CCC1 ZINC000124480751 384646307 /nfs/dbraw/zinc/64/63/07/384646307.db2.gz KIDYKOZBJSZDHM-VXGBXAGGSA-N 0 3 232.331 2.059 10 0 BEAEHN Cn1ccnc1CNCCC1=CCCC1 ZINC000125985024 384723277 /nfs/dbraw/zinc/72/32/77/384723277.db2.gz YDHMGXJNIDGJLK-UHFFFAOYSA-N 0 3 205.305 2.010 10 0 BEAEHN C[C@H](Cc1cccs1)NCc1nccn1C ZINC000051922145 384705624 /nfs/dbraw/zinc/70/56/24/384705624.db2.gz ZOQSWEYPGRUSLY-SNVBAGLBSA-N 0 3 235.356 2.202 10 0 BEAEHN CN(C)C[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000052554713 384736315 /nfs/dbraw/zinc/73/63/15/384736315.db2.gz IQSOQDUSBRYMFD-AWEZNQCLSA-N 0 3 246.354 2.206 10 0 BEAEHN CC(C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052852868 384749697 /nfs/dbraw/zinc/74/96/97/384749697.db2.gz SDLUVJBMFMRGAJ-CYBMUJFWSA-N 0 3 234.343 2.062 10 0 BEAEHN Cc1cnn([C@H]2CCCN(C[C@@H]3CCCO3)C2)c1 ZINC000105900972 384815598 /nfs/dbraw/zinc/81/55/98/384815598.db2.gz UUFJOKAYXUBXFD-KBPBESRZSA-N 0 3 249.358 2.007 10 0 BEAEHN C[C@H](NCc1cn2c(n1)CCCC2)C1CC1 ZINC000309737594 384782170 /nfs/dbraw/zinc/78/21/70/384782170.db2.gz CRRHZFMNGLQUSJ-JTQLQIEISA-N 0 3 219.332 2.108 10 0 BEAEHN C[C@H]1Sc2c(c(F)ccc2F)[C@@H]1N ZINC000043641003 384806180 /nfs/dbraw/zinc/80/61/80/384806180.db2.gz ZPWJGQHUSPVZDI-SPGJFGJESA-N 0 3 201.241 2.459 10 0 BEAEHN C[C@@H]1Cc2c(nc3ccccc3c2N)[C@@]1(C)O ZINC000013766029 384874044 /nfs/dbraw/zinc/87/40/44/384874044.db2.gz LEKKTQIRJGFRFP-CLAHSXSESA-N 0 3 228.295 2.217 10 0 BEAEHN Cc1ccoc1CNC[C@@H]1CCCC[C@@H]1O ZINC000126958244 384843833 /nfs/dbraw/zinc/84/38/33/384843833.db2.gz PICUYSARBKOGHM-RYUDHWBXSA-N 0 3 223.316 2.229 10 0 BEAEHN CCc1ccc(CNC[C@@H]2CCC[C@@H]2O)o1 ZINC000084225628 384848944 /nfs/dbraw/zinc/84/89/44/384848944.db2.gz DOVPHHBKZPZAAS-GWCFXTLKSA-N 0 3 223.316 2.093 10 0 BEAEHN CC[C@@H](NCC(C)(C)O)c1nc(C)cs1 ZINC000112544272 384858548 /nfs/dbraw/zinc/85/85/48/384858548.db2.gz XMCGRYGEUTWUKO-SECBINFHSA-N 0 3 228.361 2.263 10 0 BEAEHN CC[C@@H](CN[C@@H]1CCc2c1cccc2O)OC ZINC000310150576 384862626 /nfs/dbraw/zinc/86/26/26/384862626.db2.gz HZPNBXSNTQAZIP-GXFFZTMASA-N 0 3 235.327 2.394 10 0 BEAEHN C[C@@H]1C[C@@H](O)CN(c2ccnc3ccccc32)C1 ZINC000335239222 384865546 /nfs/dbraw/zinc/86/55/46/384865546.db2.gz RYBDIEQFJFRUJT-VXGBXAGGSA-N 0 3 242.322 2.442 10 0 BEAEHN Cc1nnsc1CN[C@H]1CCC[C@H]1CCF ZINC000309895566 384895127 /nfs/dbraw/zinc/89/51/27/384895127.db2.gz FUEYCPUAXDRDGP-UWVGGRQHSA-N 0 3 243.351 2.464 10 0 BEAEHN C[C@@H]1[C@H](NC2COC2)C[C@@H]1c1ccccc1 ZINC000376862587 384935123 /nfs/dbraw/zinc/93/51/23/384935123.db2.gz YHVUAORSDLVZST-LEWSCRJBSA-N 0 3 217.312 2.167 10 0 BEAEHN CC(C)(C)SCCN1CCN2CCC[C@@H]2C1 ZINC000370507001 384972017 /nfs/dbraw/zinc/97/20/17/384972017.db2.gz HQDMAUNFGDHIHP-GFCCVEGCSA-N 0 3 242.432 2.298 10 0 BEAEHN CCc1ccc(CNC[C@@H]2CCCC[C@@H]2O)o1 ZINC000085973537 384976204 /nfs/dbraw/zinc/97/62/04/384976204.db2.gz QXTLHEMKICSNKE-FZMZJTMJSA-N 0 3 237.343 2.483 10 0 BEAEHN COc1ncc(CN[C@H](C)C(C)C)s1 ZINC000308711788 385008957 /nfs/dbraw/zinc/00/89/57/385008957.db2.gz ZHADAXKXXJUMCC-MRVPVSSYSA-N 0 3 214.334 2.286 10 0 BEAEHN Cc1c[nH]c(CN2CCCCCC2)c(C)c1=O ZINC000058823370 385024578 /nfs/dbraw/zinc/02/45/78/385024578.db2.gz XYHIZMIQIUEESS-UHFFFAOYSA-N 0 3 234.343 2.368 10 0 BEAEHN CCCCCNCc1nccc(OC)c1OC ZINC000058824392 385025181 /nfs/dbraw/zinc/02/51/81/385025181.db2.gz HSEDQZAXPPCEKE-UHFFFAOYSA-N 0 3 238.331 2.379 10 0 BEAEHN Cc1ccc(NC2CCN(C)CC2)cc1N ZINC000061701180 385131047 /nfs/dbraw/zinc/13/10/47/385131047.db2.gz DEWOODISYGYZHA-UHFFFAOYSA-N 0 3 219.332 2.083 10 0 BEAEHN C/C=C\[C@@H]1NCCc2cc(OC)c(OC)cc21 ZINC000062722349 385185188 /nfs/dbraw/zinc/18/51/88/385185188.db2.gz UOCYGISMICKYAI-RXNFCKPNSA-N 0 3 233.311 2.467 10 0 BEAEHN C[C@H]1C[C@H](O)CN(Cc2ccc(F)cc2)C1 ZINC000334748764 385211057 /nfs/dbraw/zinc/21/10/57/385211057.db2.gz YWCXJZOMTNQDOO-GWCFXTLKSA-N 0 3 223.291 2.028 10 0 BEAEHN Cc1nc(-c2ccc3c(c2)OCO3)sc1CN ZINC000057536956 385318998 /nfs/dbraw/zinc/31/89/98/385318998.db2.gz MTZLTGISLITGQF-UHFFFAOYSA-N 0 3 248.307 2.306 10 0 BEAEHN Cc1ccncc1CN[C@@H]1CCCCC[C@H]1O ZINC000130675886 385274790 /nfs/dbraw/zinc/27/47/90/385274790.db2.gz KPMYMWHLMZSIRJ-ZIAGYGMSSA-N 0 3 234.343 2.173 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1cncs1 ZINC000153754145 385278777 /nfs/dbraw/zinc/27/87/77/385278777.db2.gz SXAVDJHHKJCBGH-AXFHLTTASA-N 0 3 240.372 2.345 10 0 BEAEHN CC[C@@H](NCCn1cncn1)c1ccsc1 ZINC000294160623 385288558 /nfs/dbraw/zinc/28/85/58/385288558.db2.gz AYXDPPUYVJTRRM-LLVKDONJSA-N 0 3 236.344 2.081 10 0 BEAEHN CC[C@H](NCCn1cncn1)c1ccsc1 ZINC000294160626 385288838 /nfs/dbraw/zinc/28/88/38/385288838.db2.gz AYXDPPUYVJTRRM-NSHDSACASA-N 0 3 236.344 2.081 10 0 BEAEHN CN[C@H](c1cn[nH]c1)c1sccc1C ZINC000062777207 385416161 /nfs/dbraw/zinc/41/61/61/385416161.db2.gz IHZWZQQYHXEQCR-SECBINFHSA-N 0 3 207.302 2.088 10 0 BEAEHN CSCCN1CCC[C@H](n2cc(C)cn2)C1 ZINC000171635749 385504064 /nfs/dbraw/zinc/50/40/64/385504064.db2.gz BLVDYTLJEBPLTA-LBPRGKRZSA-N 0 3 239.388 2.191 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000054075282 385594561 /nfs/dbraw/zinc/59/45/61/385594561.db2.gz QDJRIEWSDYYGKM-DGCLKSJQSA-N 0 3 238.375 2.166 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000054072745 385596169 /nfs/dbraw/zinc/59/61/69/385596169.db2.gz DUGXFOUJNZYZOF-DTWKUNHWSA-N 0 3 240.372 2.150 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2c(F)cccc2F)C1 ZINC000037164539 385597498 /nfs/dbraw/zinc/59/74/98/385597498.db2.gz XBOPWRVNKPSTHH-VHSXEESVSA-N 0 3 241.281 2.358 10 0 BEAEHN N[C@H](c1coc(Br)c1)C1=COCC1 ZINC000306946161 385660797 /nfs/dbraw/zinc/66/07/97/385660797.db2.gz LBXCHBYGSXYQRA-VIFPVBQESA-N 0 3 244.088 2.346 10 0 BEAEHN Cn1ccnc1CN[C@@H]1CCC[C@@H]1CCF ZINC000336688100 385708063 /nfs/dbraw/zinc/70/80/63/385708063.db2.gz JMTSPTDQRVWQKI-GHMZBOCLSA-N 0 3 225.311 2.038 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCCC[C@@H]2CO)o1 ZINC000230197246 385716767 /nfs/dbraw/zinc/71/67/67/385716767.db2.gz JRQILWXUUHRMCA-BXUZGUMPSA-N 0 3 237.343 2.483 10 0 BEAEHN CCN1CCCCC[C@H]1c1cncnc1 ZINC000616621712 385806393 /nfs/dbraw/zinc/80/63/93/385806393.db2.gz ODPIIZDRDJWFEK-LBPRGKRZSA-N 0 3 205.305 2.414 10 0 BEAEHN NCc1cc(OCc2ccccc2)ccn1 ZINC000051523241 385841185 /nfs/dbraw/zinc/84/11/85/385841185.db2.gz AHSTYWKFBZIPLI-UHFFFAOYSA-N 0 3 214.268 2.119 10 0 BEAEHN CC(C)CCN1CCCC[C@H]1c1nnc[nH]1 ZINC000121686151 385899172 /nfs/dbraw/zinc/89/91/72/385899172.db2.gz JFUZMOZVZCNZIQ-NSHDSACASA-N 0 3 222.336 2.378 10 0 BEAEHN CCOC(=O)c1ccccc1[C@@H]1CCN(C)C1 ZINC000260465615 385866475 /nfs/dbraw/zinc/86/64/75/385866475.db2.gz RKLFFWDNPBIXSE-LLVKDONJSA-N 0 3 233.311 2.282 10 0 BEAEHN CCC[C@H](N)C(=O)N(CCC)CC(C)C ZINC000309011551 385936001 /nfs/dbraw/zinc/93/60/01/385936001.db2.gz PEFFVWFTKBIMNH-NSHDSACASA-N 0 3 214.353 2.008 10 0 BEAEHN C[C@@H]1OCC[C@@]1(N)c1ccsc1Cl ZINC000575559573 386008334 /nfs/dbraw/zinc/00/83/34/386008334.db2.gz IMYCYVDQVMPZJB-RCOVLWMOSA-N 0 3 217.721 2.364 10 0 BEAEHN CC[C@H](C)[C@](C)(NCc1ccccc1)C(N)=O ZINC000037941177 386104709 /nfs/dbraw/zinc/10/47/09/386104709.db2.gz CUJTWMHGMFJWCB-FZMZJTMJSA-N 0 3 234.343 2.066 10 0 BEAEHN CCC[C@H]1CCC[C@@H]1NCc1nccn1C ZINC000336738559 386106046 /nfs/dbraw/zinc/10/60/46/386106046.db2.gz OIZBZTITDNFVPZ-RYUDHWBXSA-N 0 3 221.348 2.479 10 0 BEAEHN CC[C@@H](N)c1c(F)cc(OC)cc1F ZINC000037998954 386107366 /nfs/dbraw/zinc/10/73/66/386107366.db2.gz BBNSXXWUWJDDJK-SECBINFHSA-N 0 3 201.216 2.383 10 0 BEAEHN C[C@@H](N)c1cnc(-c2ccncc2)s1 ZINC000054159291 386112249 /nfs/dbraw/zinc/11/22/49/386112249.db2.gz QJJRTXALWSPHIW-SSDOTTSWSA-N 0 3 205.286 2.225 10 0 BEAEHN C[C@@H]1COC[C@]1(N)c1ccsc1Cl ZINC000575573297 386162966 /nfs/dbraw/zinc/16/29/66/386162966.db2.gz WSVOSOPBGOYRHM-HZGVNTEJSA-N 0 3 217.721 2.222 10 0 BEAEHN Cc1ncc([C@]2(N)CCS[C@@H]2C)s1 ZINC000575571401 386142085 /nfs/dbraw/zinc/14/20/85/386142085.db2.gz UZKAKMVCDADOMK-MUWHJKNJSA-N 0 3 214.359 2.131 10 0 BEAEHN CC(C)C[C@H](N)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366346260 386375867 /nfs/dbraw/zinc/37/58/67/386375867.db2.gz KSEJRHUFJRVJEY-FRRDWIJNSA-N 0 3 238.375 2.151 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366344216 386379963 /nfs/dbraw/zinc/37/99/63/386379963.db2.gz FFARPEPLDYMTHL-QJPTWQEYSA-N 0 3 238.375 2.151 10 0 BEAEHN Cc1nocc1CNCC1C[C@H](C)O[C@@H](C)C1 ZINC000339387132 386398454 /nfs/dbraw/zinc/39/84/54/386398454.db2.gz DXEPVVWLRNDIGU-UWVGGRQHSA-N 0 3 238.331 2.276 10 0 BEAEHN Cn1ncc2c1CCC[C@@H]2NC1CC(F)(F)C1 ZINC000277140840 386410669 /nfs/dbraw/zinc/41/06/69/386410669.db2.gz PGNKBRBGXOFULB-JTQLQIEISA-N 0 3 241.285 2.185 10 0 BEAEHN CO[C@H](CN1C[C@H](O)CC[C@@H]1C)c1ccccc1 ZINC000399323995 386504535 /nfs/dbraw/zinc/50/45/35/386504535.db2.gz KBVWLPLLJRSCRZ-NWANDNLSSA-N 0 3 249.354 2.219 10 0 BEAEHN N[C@@H]1CCOc2cc(F)cc(Br)c21 ZINC000238619824 386512859 /nfs/dbraw/zinc/51/28/59/386512859.db2.gz YSWPWJMKDVVYGT-SSDOTTSWSA-N 0 3 246.079 2.371 10 0 BEAEHN Cc1cc(CN2C[C@@H](O)CC[C@@H]2C)cs1 ZINC000399209647 386455798 /nfs/dbraw/zinc/45/57/98/386455798.db2.gz QFOLGVOUNZXTFN-CABZTGNLSA-N 0 3 225.357 2.402 10 0 BEAEHN CC(C)(C)[C@@H]1CCC[C@@]1(N)c1ncc[nH]1 ZINC000521401703 386460772 /nfs/dbraw/zinc/46/07/72/386460772.db2.gz NATQVRRMWWNESM-CABZTGNLSA-N 0 3 207.321 2.410 10 0 BEAEHN N[C@H](Cc1cccnc1)c1cccs1 ZINC000053130858 386664450 /nfs/dbraw/zinc/66/44/50/386664450.db2.gz PNJOOJXMPPETQT-SNVBAGLBSA-N 0 3 204.298 2.386 10 0 BEAEHN c1cc2c(s1)CCC[C@H]2NCCn1cncn1 ZINC000268807984 386665719 /nfs/dbraw/zinc/66/57/19/386665719.db2.gz IGUPTTMHEYRMFE-LLVKDONJSA-N 0 3 248.355 2.007 10 0 BEAEHN C[C@@H](CNC(=O)Nc1ccccc1)N1CCCC1 ZINC000027350773 386681074 /nfs/dbraw/zinc/68/10/74/386681074.db2.gz BKYGPBVPKHMCBR-LBPRGKRZSA-N 0 3 247.342 2.292 10 0 BEAEHN Cc1c(CN[C@@H]2CCCC(F)(F)C2)cnn1C ZINC000334148469 386744903 /nfs/dbraw/zinc/74/49/03/386744903.db2.gz GDYRCWCLUTWYPB-LLVKDONJSA-N 0 3 243.301 2.396 10 0 BEAEHN C[C@H]1CC2(CCC2)CN1C[C@@H](O)C(F)(F)F ZINC000335747225 386869944 /nfs/dbraw/zinc/86/99/44/386869944.db2.gz HQZASUICNCXOKG-DTWKUNHWSA-N 0 3 237.265 2.174 10 0 BEAEHN CCCCCN1CCN(CCOC)[C@H](CC)C1 ZINC000117880088 387030173 /nfs/dbraw/zinc/03/01/73/387030173.db2.gz NHVBXJWQHJASAW-CQSZACIVSA-N 0 3 242.407 2.219 10 0 BEAEHN Cc1ncsc1[C@H](N)[C@]1(C)C[C@@H]1F ZINC000575457681 387030222 /nfs/dbraw/zinc/03/02/22/387030222.db2.gz KWSSLPDNYLWHBH-CNUIFLNQSA-N 0 3 200.282 2.199 10 0 BEAEHN N[C@H](c1cncs1)C1CC(F)(F)C1 ZINC000575462872 387041769 /nfs/dbraw/zinc/04/17/69/387041769.db2.gz XQLGRXALWGMRAZ-ZETCQYMHSA-N 0 3 204.245 2.188 10 0 BEAEHN CC[C@H](N[C@@H]1CCCNC1=O)c1cccc(C)c1 ZINC000336785386 387050713 /nfs/dbraw/zinc/05/07/13/387050713.db2.gz DCWKMGXEDKEPMM-UONOGXRCSA-N 0 3 246.354 2.314 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1ccccc1F ZINC000119406712 387130322 /nfs/dbraw/zinc/13/03/22/387130322.db2.gz YCOZVRSLUBTYLY-ZDUSSCGKSA-N 0 3 225.307 2.419 10 0 BEAEHN NCc1csc2c1CCC(F)(F)C2 ZINC000575467643 387077353 /nfs/dbraw/zinc/07/73/53/387077353.db2.gz QIQOPKVIOHRJJR-UHFFFAOYSA-N 0 3 203.257 2.331 10 0 BEAEHN c1coc(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000228348929 387083295 /nfs/dbraw/zinc/08/32/95/387083295.db2.gz SVJDKBOMLLMHLU-XQQFMLRXSA-N 0 3 221.300 2.327 10 0 BEAEHN COc1ccc(F)c([C@H](N)CC(F)F)c1 ZINC000575437642 387109810 /nfs/dbraw/zinc/10/98/10/387109810.db2.gz LMWQHSCFFSFFJY-SECBINFHSA-N 0 3 219.206 2.489 10 0 BEAEHN COc1cccc(F)c1[C@@H](N)CCF ZINC000575437876 387110593 /nfs/dbraw/zinc/11/05/93/387110593.db2.gz AVQDCEWJEBPPAO-QMMMGPOBSA-N 0 3 201.216 2.194 10 0 BEAEHN COc1cccc(F)c1[C@H](N)CC(F)F ZINC000575437906 387112794 /nfs/dbraw/zinc/11/27/94/387112794.db2.gz XZYBQDXIOLMLOR-SSDOTTSWSA-N 0 3 219.206 2.489 10 0 BEAEHN N[C@H](CCF)c1cc(F)cc(F)c1F ZINC000575438873 387119038 /nfs/dbraw/zinc/11/90/38/387119038.db2.gz DTBAAZXWBIEKRL-MRVPVSSYSA-N 0 3 207.170 2.463 10 0 BEAEHN N[C@@H](CC[NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575440171 387127983 /nfs/dbraw/zinc/12/79/83/387127983.db2.gz MEDFFGYKCPXMGK-QMMMGPOBSA-N 0 3 235.114 2.048 10 0 BEAEHN CC(C)(C)OC[C@H](O)CN1CCCC2(CC2)C1 ZINC000186978342 387159630 /nfs/dbraw/zinc/15/96/30/387159630.db2.gz XZGYJJRGBOYREV-GFCCVEGCSA-N 0 3 241.375 2.038 10 0 BEAEHN CC1(C)Cc2cccc(CNC3(CO)CC3)c2O1 ZINC000120350682 387231896 /nfs/dbraw/zinc/23/18/96/387231896.db2.gz LFQOJUZMPNHTKS-UHFFFAOYSA-N 0 3 247.338 2.015 10 0 BEAEHN Cc1cc(C)c(CNC2(CO)CC2)cc1C ZINC000120371411 387234538 /nfs/dbraw/zinc/23/45/38/387234538.db2.gz BWXHULLLNZYNIT-UHFFFAOYSA-N 0 3 219.328 2.226 10 0 BEAEHN Cc1ccc(CN[C@@H](C)[C@H]2CCCO2)c(C)n1 ZINC000187496020 387199862 /nfs/dbraw/zinc/19/98/62/387199862.db2.gz NAIFCSMVIOXLCB-GXTWGEPZSA-N 0 3 234.343 2.356 10 0 BEAEHN Cc1ncc([C@H](N)[C@H]2CCSC2)s1 ZINC000575491560 387277026 /nfs/dbraw/zinc/27/70/26/387277026.db2.gz XQHLUWLDVGSQSO-IONNQARKSA-N 0 3 214.359 2.204 10 0 BEAEHN N[C@]1(c2nccs2)CCCSCC1 ZINC000575517343 387429466 /nfs/dbraw/zinc/42/94/66/387429466.db2.gz DTKKFFJCBDGMJR-SECBINFHSA-N 0 3 214.359 2.214 10 0 BEAEHN CCOc1cc(OCC)c(CN)cc1F ZINC000575720556 387443447 /nfs/dbraw/zinc/44/34/47/387443447.db2.gz AFMJCWSQDDFXMR-UHFFFAOYSA-N 0 3 213.252 2.082 10 0 BEAEHN N[C@@H](c1cncs1)[C@@H]1CCCS1 ZINC000575514533 387390106 /nfs/dbraw/zinc/39/01/06/387390106.db2.gz KRPBRWAMRFAEOC-POYBYMJQSA-N 0 3 200.332 2.039 10 0 BEAEHN N[C@H](c1cncs1)[C@@H]1CCCS1 ZINC000575514541 387390266 /nfs/dbraw/zinc/39/02/66/387390266.db2.gz KRPBRWAMRFAEOC-XPUUQOCRSA-N 0 3 200.332 2.039 10 0 BEAEHN C[C@@]1([C@H](N)c2cncs2)CCCS1 ZINC000575515262 387422079 /nfs/dbraw/zinc/42/20/79/387422079.db2.gz PRSXKYVIARDAGT-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN CCN(CC)Cc1c(O)c(=O)oc2ccccc21 ZINC000584626207 387503952 /nfs/dbraw/zinc/50/39/52/387503952.db2.gz GMCDGBLJPYLCFN-UHFFFAOYSA-N 0 3 247.294 2.340 10 0 BEAEHN CCCCC(=O)Nc1cccc2c1CNCC2 ZINC000123540628 387586699 /nfs/dbraw/zinc/58/66/99/387586699.db2.gz SIOANTUMNHDEGS-UHFFFAOYSA-N 0 3 232.327 2.461 10 0 BEAEHN C/C(=C/Br)[C@@H]1CCCCN1 ZINC000575545579 387628867 /nfs/dbraw/zinc/62/88/67/387628867.db2.gz MPBHJBWAXICQGP-UAPHAKCISA-N 0 3 204.111 2.427 10 0 BEAEHN Cc1cc([C@@]2(N)CS[C@@H](C)C2)sn1 ZINC000575572819 387750465 /nfs/dbraw/zinc/75/04/65/387750465.db2.gz QOMMISYIFJATOD-CBAPKCEASA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1nc([C@]2(N)CS[C@H](C)C2)cs1 ZINC000575572897 387751683 /nfs/dbraw/zinc/75/16/83/387751683.db2.gz RWVLVOUBVLXVBZ-HZGVNTEJSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1ccc2c(c1)[C@H](N[C@@H](C)CO)CCCO2 ZINC000127579600 387718119 /nfs/dbraw/zinc/71/81/19/387718119.db2.gz KNOWMQAQNCQSNC-WCQYABFASA-N 0 3 235.327 2.179 10 0 BEAEHN Cc1ncsc1[C@@]1(N)CS[C@H](C)C1 ZINC000575569101 387731062 /nfs/dbraw/zinc/73/10/62/387731062.db2.gz BVZFLUVBSDGLIF-MUWHJKNJSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1ncsc1[C@]1(N)CCS[C@@H]1C ZINC000575565583 387732939 /nfs/dbraw/zinc/73/29/39/387732939.db2.gz ALCZUXLIMQFQGN-APPZFPTMSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@@H]1C[C@@](N)(c2ccc(Cl)s2)CO1 ZINC000575567769 387736251 /nfs/dbraw/zinc/73/62/51/387736251.db2.gz ZTJMUGRRCYPNTP-MUWHJKNJSA-N 0 3 217.721 2.364 10 0 BEAEHN Cc1ccc2c(c1)[C@H](N[C@H](C)CO)CCCO2 ZINC000129341559 387766907 /nfs/dbraw/zinc/76/69/07/387766907.db2.gz KNOWMQAQNCQSNC-DGCLKSJQSA-N 0 3 235.327 2.179 10 0 BEAEHN C[C@@H](CCN[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395559 387793748 /nfs/dbraw/zinc/79/37/48/387793748.db2.gz SHCLVFNRVFDPDF-GXTWGEPZSA-N 0 3 246.354 2.048 10 0 BEAEHN CC(C)(C)OC(=O)[C@](C)(CN)c1ccccc1 ZINC000390821986 387840100 /nfs/dbraw/zinc/84/01/00/387840100.db2.gz WIOFDFKVQCVYNS-CQSZACIVSA-N 0 3 235.327 2.245 10 0 BEAEHN COc1cccc2c1CCN(CCC(C)=O)CC2 ZINC000193714077 387862983 /nfs/dbraw/zinc/86/29/83/387862983.db2.gz OCVRHVUTBFQDQO-UHFFFAOYSA-N 0 3 247.338 2.075 10 0 BEAEHN c1cc(C2CCN(Cc3cscn3)CC2)[nH]n1 ZINC000195505709 387918323 /nfs/dbraw/zinc/91/83/23/387918323.db2.gz BVQYUPKXZMIXNB-UHFFFAOYSA-N 0 3 248.355 2.246 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)C(C)C ZINC000245426694 387945979 /nfs/dbraw/zinc/94/59/79/387945979.db2.gz GKUMBEOFYGOSSD-CHWSQXEVSA-N 0 3 240.391 2.221 10 0 BEAEHN CCc1nnc(CNCC2CCC(C)CC2)[nH]1 ZINC000392357675 387958272 /nfs/dbraw/zinc/95/82/72/387958272.db2.gz OGKBJUPCMOGNCJ-UHFFFAOYSA-N 0 3 236.363 2.283 10 0 BEAEHN CCc1nnc(C[NH2+]CC2CCC(C)CC2)[n-]1 ZINC000392357675 387958276 /nfs/dbraw/zinc/95/82/76/387958276.db2.gz OGKBJUPCMOGNCJ-UHFFFAOYSA-N 0 3 236.363 2.283 10 0 BEAEHN CO[C@@H]1CC[C@H]2OCCN(CC(C)(C)C)[C@@H]2C1 ZINC000245719350 387977090 /nfs/dbraw/zinc/97/70/90/387977090.db2.gz DEMOPUKHCDYRKD-JHJVBQTASA-N 0 3 241.375 2.301 10 0 BEAEHN CC(C)OCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000245842766 387986735 /nfs/dbraw/zinc/98/67/35/387986735.db2.gz HNDZHHUSYGBIDS-ZIAGYGMSSA-N 0 3 241.375 2.445 10 0 BEAEHN CCc1ccc([C@H]2CN[C@@H](C)CO2)s1 ZINC000041062366 388017972 /nfs/dbraw/zinc/01/79/72/388017972.db2.gz DJPFIRLDTDXPQH-WCBMZHEXSA-N 0 3 211.330 2.360 10 0 BEAEHN Cc1cc(CN2C[C@@H]3CCCCN3C[C@@H]2C)no1 ZINC000083704390 388059446 /nfs/dbraw/zinc/05/94/46/388059446.db2.gz VGBBSHPNAMSFSW-FZMZJTMJSA-N 0 3 249.358 2.042 10 0 BEAEHN CCC[C@@H]1NCC[C@H](C)[S@](=O)[C@@H]1CC ZINC000251201690 388254912 /nfs/dbraw/zinc/25/49/12/388254912.db2.gz VLLGXMHTKGLYGG-DYNIEEOBSA-N 0 3 217.378 2.064 10 0 BEAEHN CC[C@@H](NC1CC(F)(F)C1)c1cnn(C)c1 ZINC000277024455 388352252 /nfs/dbraw/zinc/35/22/52/388352252.db2.gz DPLOOYIEDOOJRC-SNVBAGLBSA-N 0 3 229.274 2.259 10 0 BEAEHN C[C@H]1OCC[C@H]1N[C@H]1CCCc2occc21 ZINC000293348989 388387983 /nfs/dbraw/zinc/38/79/83/388387983.db2.gz GVPBUZVBFGGCSP-JLLWLGSASA-N 0 3 221.300 2.424 10 0 BEAEHN CC(C)C[C@@H](C)Cn1cc(C(C)(C)N)nn1 ZINC000300974606 388396668 /nfs/dbraw/zinc/39/66/68/388396668.db2.gz SPVGDRSABDWKHF-SNVBAGLBSA-N 0 3 224.352 2.154 10 0 BEAEHN Cc1cnc(CN2C[C@@H]3CCCCN3C[C@@H]2C)o1 ZINC000229726638 388396879 /nfs/dbraw/zinc/39/68/79/388396879.db2.gz UJBZIRGSKUVYBT-AAEUAGOBSA-N 0 3 249.358 2.042 10 0 BEAEHN CC[C@H](N)c1nc2c(s1)CSCC2 ZINC000042335324 388443715 /nfs/dbraw/zinc/44/37/15/388443715.db2.gz LYKAJPNEMRLSDG-LURJTMIESA-N 0 3 214.359 2.342 10 0 BEAEHN CCC(C)(C)NC(=O)CN(C)CCC1CC1 ZINC000135248409 388486711 /nfs/dbraw/zinc/48/67/11/388486711.db2.gz UGARQKHFJDJGAN-UHFFFAOYSA-N 0 3 226.364 2.023 10 0 BEAEHN CCc1ccc(CN[C@@H](C)[C@H]2CCCO2)nc1 ZINC000345102977 388510741 /nfs/dbraw/zinc/51/07/41/388510741.db2.gz OUTMESNILOSISL-SMDDNHRTSA-N 0 3 234.343 2.301 10 0 BEAEHN CSCc1nc2c(s1)[C@H](N)CCC2 ZINC000054496964 388593935 /nfs/dbraw/zinc/59/39/35/388593935.db2.gz JSUHDCGKDLCECV-ZCFIWIBFSA-N 0 3 214.359 2.342 10 0 BEAEHN C[C@H](NCCCn1ccnn1)c1ccccc1F ZINC000125624857 388673223 /nfs/dbraw/zinc/67/32/23/388673223.db2.gz QFCBGUNAKYNFRN-NSHDSACASA-N 0 3 248.305 2.158 10 0 BEAEHN COc1cc(O)ccc1[C@@H](N)CC(F)F ZINC000575438384 388623815 /nfs/dbraw/zinc/62/38/15/388623815.db2.gz JTGZTXQKOQWDII-QMMMGPOBSA-N 0 3 217.215 2.056 10 0 BEAEHN NCc1c(F)ccc(F)c1Br ZINC000238606887 388624446 /nfs/dbraw/zinc/62/44/46/388624446.db2.gz CDBKFFLLILQXDI-UHFFFAOYSA-N 0 3 222.032 2.186 10 0 BEAEHN CCc1cccc(CN[C@@H](C(=O)NC)C(C)C)c1 ZINC000189847746 388643969 /nfs/dbraw/zinc/64/39/69/388643969.db2.gz OUTDNQQADZCKBA-CQSZACIVSA-N 0 3 248.370 2.109 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)OCC1CC1 ZINC000192912659 388689178 /nfs/dbraw/zinc/68/91/78/388689178.db2.gz SHLSPEPMFAVAHY-GFCCVEGCSA-N 0 3 242.363 2.099 10 0 BEAEHN CCN(C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000126250013 388692674 /nfs/dbraw/zinc/69/26/74/388692674.db2.gz REQCSMXLMKEMRE-SNVBAGLBSA-N 0 3 235.327 2.470 10 0 BEAEHN CCCC[C@@H](CCC)NC(=O)[C@@H](C)NC ZINC000226064642 388699717 /nfs/dbraw/zinc/69/97/17/388699717.db2.gz RUNHOQANRUKKHA-GHMZBOCLSA-N 0 3 214.353 2.069 10 0 BEAEHN C[C@@H](NCC1CC(O)C1)c1cc(F)ccc1F ZINC000091415972 388763192 /nfs/dbraw/zinc/76/31/92/388763192.db2.gz JVDVPTINLBDYCA-FKTRJACZSA-N 0 3 241.281 2.386 10 0 BEAEHN COc1ccccc1[C@@H](C)NCC1CC(O)C1 ZINC000091424962 388763760 /nfs/dbraw/zinc/76/37/60/388763760.db2.gz LXTKFXBHRTZISR-VOMCLLRMSA-N 0 3 235.327 2.117 10 0 BEAEHN C[C@@H]1C[C@H]1c1ccc(CNCC2CC(O)C2)o1 ZINC000091538268 388767207 /nfs/dbraw/zinc/76/72/07/388767207.db2.gz QGDQIBFPCVLETN-ZUYNKMSQSA-N 0 3 235.327 2.264 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cnn(C)c1 ZINC000252732913 388778013 /nfs/dbraw/zinc/77/80/13/388778013.db2.gz XDCOKJUGXUTLML-CKYFFXLPSA-N 0 3 207.321 2.259 10 0 BEAEHN CCN1CCC[C@@H](N[C@H](C)c2cscn2)C1 ZINC000252787490 388782732 /nfs/dbraw/zinc/78/27/32/388782732.db2.gz AETUNCZGALNFNL-GHMZBOCLSA-N 0 3 239.388 2.278 10 0 BEAEHN C[C@@H]1C[C@H](NCCn2cncn2)c2ccccc21 ZINC000288536570 388788546 /nfs/dbraw/zinc/78/85/46/388788546.db2.gz ADNZNMMIMZFAAL-RISCZKNCSA-N 0 3 242.326 2.116 10 0 BEAEHN Cc1cc(C)cc(N2CCN[C@H](C)C2)c1 ZINC000016944768 132323599 /nfs/dbraw/zinc/32/35/99/132323599.db2.gz JXUAAUHXRNBYNU-GFCCVEGCSA-N 0 3 204.317 2.102 10 0 BEAEHN C[C@@H]1CCCN(c2ncc(CN)cc2Cl)C1 ZINC000051396207 132360021 /nfs/dbraw/zinc/36/00/21/132360021.db2.gz OOZMLGYWNTXGIT-SECBINFHSA-N 0 3 239.750 2.430 10 0 BEAEHN NCc1cc(Cl)ccc1N1CCSCC1 ZINC000052856741 132362722 /nfs/dbraw/zinc/36/27/22/132362722.db2.gz SOAZDRDOJBSQLE-UHFFFAOYSA-N 0 3 242.775 2.352 10 0 BEAEHN CC[C@@H]1NCCc2c(OC)ccc(OC)c21 ZINC000019626242 171151088 /nfs/dbraw/zinc/15/10/88/171151088.db2.gz CJUCSLSYTLSBKR-JTQLQIEISA-N 0 3 221.300 2.301 10 0 BEAEHN CC(C)CCN(C[C@H](O)C(F)(F)F)C1CC1 ZINC000109706766 166835146 /nfs/dbraw/zinc/83/51/46/166835146.db2.gz YDRLBKADGJWCOS-JTQLQIEISA-N 0 3 239.281 2.420 10 0 BEAEHN Cc1cc(N2CCNCC2)nc2ccc(F)cc12 ZINC000040175217 132295954 /nfs/dbraw/zinc/29/59/54/132295954.db2.gz SXMHMRBDAMOJOV-UHFFFAOYSA-N 0 3 245.301 2.092 10 0 BEAEHN CCc1ccccc1N1CCN[C@H](C)C1 ZINC000016944703 132323437 /nfs/dbraw/zinc/32/34/37/132323437.db2.gz MKKFSOBJPUSXMR-LLVKDONJSA-N 0 3 204.317 2.047 10 0 BEAEHN CCCCN1CCN(c2cccc(N)c2)CC1 ZINC000020265093 132330502 /nfs/dbraw/zinc/33/05/02/132330502.db2.gz GLFDTFRAQNPQHE-UHFFFAOYSA-N 0 3 233.359 2.191 10 0 BEAEHN CC[C@H]1CNCCN1c1cccc(F)c1F ZINC000035785003 132339790 /nfs/dbraw/zinc/33/97/90/132339790.db2.gz VMOCESUGFYLALB-VIFPVBQESA-N 0 3 226.270 2.153 10 0 BEAEHN C[C@@H]1CNCCN1c1ccc(F)cc1Cl ZINC000035976231 132340102 /nfs/dbraw/zinc/34/01/02/132340102.db2.gz YXSBPRDHVUGCQV-MRVPVSSYSA-N 0 3 228.698 2.277 10 0 BEAEHN CC(C)N1CCN(c2ccccc2[C@H](C)O)CC1 ZINC000036190424 132340766 /nfs/dbraw/zinc/34/07/66/132340766.db2.gz ZIASMMZQSUHOPF-ZDUSSCGKSA-N 0 3 248.370 2.270 10 0 BEAEHN NCc1cc(F)ccc1N1CCCCC1 ZINC000037236375 132343883 /nfs/dbraw/zinc/34/38/83/132343883.db2.gz SONOXTMQSRSULU-UHFFFAOYSA-N 0 3 208.280 2.275 10 0 BEAEHN C[C@H](N[C@@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259668 132344309 /nfs/dbraw/zinc/34/43/09/132344309.db2.gz XIJKYBJRCUTBMO-GXFFZTMASA-N 0 3 244.338 2.482 10 0 BEAEHN Nc1cccc2c1CCN(c1ccncc1)C2 ZINC000038032958 132345782 /nfs/dbraw/zinc/34/57/82/132345782.db2.gz RIEGRPHPZAICJM-UHFFFAOYSA-N 0 3 225.295 2.227 10 0 BEAEHN CC1(C)CN(c2ccccc2F)CCN1 ZINC000041217541 132349599 /nfs/dbraw/zinc/34/95/99/132349599.db2.gz MZZWFBYUXHMKSJ-UHFFFAOYSA-N 0 3 208.280 2.014 10 0 BEAEHN Cc1ccc(CN)c(N2CCC[C@H](C)C2)n1 ZINC000043395461 132352881 /nfs/dbraw/zinc/35/28/81/132352881.db2.gz GOJBTTSLCQDTOU-JTQLQIEISA-N 0 3 219.332 2.085 10 0 BEAEHN CC[C@@H](C)CN1CCN(c2ccccc2N)CC1 ZINC000050425194 132358986 /nfs/dbraw/zinc/35/89/86/132358986.db2.gz DSMMFWCWYCOFKX-CYBMUJFWSA-N 0 3 247.386 2.437 10 0 BEAEHN CNCc1cccc(N2CCCC[C@@H]2C)n1 ZINC000051399339 132360733 /nfs/dbraw/zinc/36/07/33/132360733.db2.gz PGKBENVYTRXUTG-NSHDSACASA-N 0 3 219.332 2.180 10 0 BEAEHN O=C(N[C@H]1CC12CCCC2)C12CCCN1CCC2 ZINC000336011996 134051919 /nfs/dbraw/zinc/05/19/19/134051919.db2.gz MQIPGCSIIBPVJF-LBPRGKRZSA-N 0 3 248.370 2.064 10 0 BEAEHN O[C@@H]([C@@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000336215225 134136199 /nfs/dbraw/zinc/13/61/99/134136199.db2.gz MUULAJOEQHHKRI-SCZZXKLOSA-N 0 3 237.265 2.174 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C1CC1 ZINC000167854729 134154127 /nfs/dbraw/zinc/15/41/27/134154127.db2.gz XRKJTIYSTMVKOQ-ONGXEEELSA-N 0 3 234.347 2.064 10 0 BEAEHN CCC[C@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000177035855 134293957 /nfs/dbraw/zinc/29/39/57/134293957.db2.gz KMRGEGQVSRFYHO-QWHCGFSZSA-N 0 3 240.391 2.365 10 0 BEAEHN C[C@H](N[C@@H](C)C1CC1)c1nnc2n1CCCC2 ZINC000177386751 134297868 /nfs/dbraw/zinc/29/78/68/134297868.db2.gz UQFHGNZCXRRBQU-UWVGGRQHSA-N 0 3 234.347 2.064 10 0 BEAEHN C[C@@H](N[C@H](C)C1CCC1)c1nnc2n1CCCC2 ZINC000178075052 134302895 /nfs/dbraw/zinc/30/28/95/134302895.db2.gz DWZNCKRENSNTLC-GHMZBOCLSA-N 0 3 248.374 2.454 10 0 BEAEHN CO[C@@H](C)CN1CCC[C@@H]1c1ccco1 ZINC000182176807 134342565 /nfs/dbraw/zinc/34/25/65/134342565.db2.gz MRIOYZYMHUVRGC-WDEREUQCSA-N 0 3 209.289 2.451 10 0 BEAEHN CC(C)n1cc(CN[C@H](C)[C@H]2CCCO2)cn1 ZINC000226240994 134362142 /nfs/dbraw/zinc/36/21/42/134362142.db2.gz CSYMIXWSBXVSHQ-DGCLKSJQSA-N 0 3 237.347 2.121 10 0 BEAEHN COc1ccc(C)cc1CN1CC[C@H](CCO)C1 ZINC000227565977 134383307 /nfs/dbraw/zinc/38/33/07/134383307.db2.gz WDJMSPKBOVCHRE-CYBMUJFWSA-N 0 3 249.354 2.208 10 0 BEAEHN CCOC1CC(N[C@H](C)c2cncc(F)c2)C1 ZINC000227834791 134390023 /nfs/dbraw/zinc/39/00/23/134390023.db2.gz FRZMGGLZKXFQBB-UHEGKEBESA-N 0 3 238.306 2.439 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCC1CC1 ZINC000252520620 135092002 /nfs/dbraw/zinc/09/20/02/135092002.db2.gz XCMAOHZLRWTTCU-JSGCOSHPSA-N 0 3 222.376 2.345 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCC1CC1 ZINC000252520621 135092335 /nfs/dbraw/zinc/09/23/35/135092335.db2.gz XCMAOHZLRWTTCU-OCCSQVGLSA-N 0 3 222.376 2.345 10 0 BEAEHN CCCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252660555 135093836 /nfs/dbraw/zinc/09/38/36/135093836.db2.gz AGEKQSOBLQJZEL-OLZOCXBDSA-N 0 3 210.365 2.345 10 0 BEAEHN CCC[C@H](N)C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262584968 135306912 /nfs/dbraw/zinc/30/69/12/135306912.db2.gz SCTBBQCGDMDARB-NEPJUHHUSA-N 0 3 238.375 2.153 10 0 BEAEHN COC[C@H](C)NCc1cc(C)c(O)c(C)c1 ZINC000020305274 135651245 /nfs/dbraw/zinc/65/12/45/135651245.db2.gz YMCLUSGZXPONCZ-NSHDSACASA-N 0 3 223.316 2.134 10 0 BEAEHN CCc1nnc(CN[C@@H]2CCC[C@@H]2CC)n1C ZINC000348149138 136040014 /nfs/dbraw/zinc/04/00/14/136040014.db2.gz IZAZXXNNNJQIIT-WDEREUQCSA-N 0 3 236.363 2.046 10 0 BEAEHN Cc1ccc([C@H](N)CC2OCCO2)c(F)c1F ZINC000231748177 397935933 /nfs/dbraw/zinc/93/59/33/397935933.db2.gz NABMHMAARVQUGC-SECBINFHSA-N 0 3 243.253 2.036 10 0 BEAEHN CC[C@](C)(N)c1ccc(Br)cn1 ZINC000306893912 397945057 /nfs/dbraw/zinc/94/50/57/397945057.db2.gz KISMXRMBYWMIPV-VIFPVBQESA-N 0 3 229.121 2.428 10 0 BEAEHN C[C@H](NC[C@@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550857 397966690 /nfs/dbraw/zinc/96/66/90/397966690.db2.gz ZXIYVLSDDBRGRI-ONGXEEELSA-N 0 3 238.306 2.238 10 0 BEAEHN c1ccc([C@@H]2C[C@H]2CNCc2cncnc2)cc1 ZINC000111398092 397906320 /nfs/dbraw/zinc/90/63/20/397906320.db2.gz ZSZVMZQTAYZGRI-GJZGRUSLSA-N 0 3 239.322 2.370 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000054073239 398025533 /nfs/dbraw/zinc/02/55/33/398025533.db2.gz IXZZRYXRPYJDSZ-SSDOTTSWSA-N 0 3 249.339 2.151 10 0 BEAEHN CCCOc1cccc(NC(=O)[C@@H](C)NC)c1 ZINC000054073590 398025595 /nfs/dbraw/zinc/02/55/95/398025595.db2.gz XLGUKVIEOHODRV-SNVBAGLBSA-N 0 3 236.315 2.022 10 0 BEAEHN N[C@H](c1ccsn1)C1CC(F)(F)C1 ZINC000307087935 397978979 /nfs/dbraw/zinc/97/89/79/397978979.db2.gz SKMHNDOQMVYLRI-ZETCQYMHSA-N 0 3 204.245 2.188 10 0 BEAEHN F[C@@H]1CCCC[C@H]1NC[C@H]1CCCO1 ZINC000616581269 398043320 /nfs/dbraw/zinc/04/33/20/398043320.db2.gz KWKWVKSNUXPUBK-GMTAPVOTSA-N 0 3 201.285 2.036 10 0 BEAEHN CC[C@H]1C[C@]1(N)c1ccncc1Br ZINC000307316957 398077143 /nfs/dbraw/zinc/07/71/43/398077143.db2.gz OAKNSZLXFHPCRF-OIBJUYFYSA-N 0 3 241.132 2.428 10 0 BEAEHN CC(C)N1C[C@@H](C)[C@@H](NCc2ccco2)C1 ZINC000088668903 167028141 /nfs/dbraw/zinc/02/81/41/167028141.db2.gz OIVJWASEHOGFHN-YPMHNXCESA-N 0 3 222.332 2.098 10 0 BEAEHN CC(C)N[C@@](C)(CO)c1cccc(F)c1 ZINC000038115642 167136543 /nfs/dbraw/zinc/13/65/43/167136543.db2.gz AXYXFDNFEWZDFM-LBPRGKRZSA-N 0 3 211.280 2.031 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094956506 487565311 /nfs/dbraw/zinc/56/53/11/487565311.db2.gz HOFYCNWPIZMXRF-BXKDBHETSA-N 0 3 238.306 2.049 10 0 BEAEHN CC(C)OCCO[C@H](CN)c1cccc(F)c1 ZINC000042973788 167249203 /nfs/dbraw/zinc/24/92/03/167249203.db2.gz ZLJLPNSAEIWRAY-CYBMUJFWSA-N 0 3 241.306 2.267 10 0 BEAEHN CC[C@@H](NC(=O)c1cccc2c1CNC2)C(C)C ZINC000662410389 409701922 /nfs/dbraw/zinc/70/19/22/409701922.db2.gz YZAKXEFYBLEBJZ-CQSZACIVSA-N 0 3 246.354 2.454 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NCCCC1CCC1 ZINC000662665530 409826447 /nfs/dbraw/zinc/82/64/47/409826447.db2.gz JVOLZRNRMOQIAO-CMPLNLGQSA-N 0 3 226.364 2.056 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000040852366 410894592 /nfs/dbraw/zinc/89/45/92/410894592.db2.gz WOCIJGCOGUTDAX-LDYMZIIASA-N 0 3 240.734 2.255 10 0 BEAEHN CC(C)CNCc1cc(N2CCCC2)ccn1 ZINC000051399131 167008052 /nfs/dbraw/zinc/00/80/52/167008052.db2.gz ROSIIOCPDZFCOZ-UHFFFAOYSA-N 0 3 233.359 2.427 10 0 BEAEHN CC(C)NC1(c2nccs2)CCN(C)CC1 ZINC000041061597 167094624 /nfs/dbraw/zinc/09/46/24/167094624.db2.gz CIIQNBPNJPJFOP-UHFFFAOYSA-N 0 3 239.388 2.062 10 0 BEAEHN CC(C)NCc1cc(Cl)ccc1OCCO ZINC000034815492 167117375 /nfs/dbraw/zinc/11/73/75/167117375.db2.gz NBZKURHHMVYUKC-UHFFFAOYSA-N 0 3 243.734 2.209 10 0 BEAEHN CC(C)OCCN1C[C@H](C)NCc2ccccc21 ZINC000062623426 167238135 /nfs/dbraw/zinc/23/81/35/167238135.db2.gz ZQQSIGVOJHXNQZ-ZDUSSCGKSA-N 0 3 248.370 2.410 10 0 BEAEHN CC(C)OCCO[C@H]1Cc2ccccc2[C@H]1N ZINC000019282837 167249123 /nfs/dbraw/zinc/24/91/23/167249123.db2.gz NKHKRQIQNKMOLD-UONOGXRCSA-N 0 3 235.327 2.053 10 0 BEAEHN CC(C)Oc1c(CN)cnc2ccccc21 ZINC000036913728 167283884 /nfs/dbraw/zinc/28/38/84/167283884.db2.gz JREHNGBTELKRDY-UHFFFAOYSA-N 0 3 216.284 2.481 10 0 BEAEHN CC(C)Oc1ccc(C(=O)[C@H]2CCCN2)cc1 ZINC000041260914 167291064 /nfs/dbraw/zinc/29/10/64/167291064.db2.gz NECDVAJNFOFUJL-CYBMUJFWSA-N 0 3 233.311 2.409 10 0 BEAEHN CC(C)Oc1ccc([C@H](O)CCN(C)C)cc1 ZINC000041146310 167301210 /nfs/dbraw/zinc/30/12/10/167301210.db2.gz JLVDDJSJYOCSBL-CQSZACIVSA-N 0 3 237.343 2.459 10 0 BEAEHN CC(C)Oc1cccc([C@H](O)CCN(C)C)c1 ZINC000041629330 167308705 /nfs/dbraw/zinc/30/87/05/167308705.db2.gz YEPGBRXWPHNMSK-CQSZACIVSA-N 0 3 237.343 2.459 10 0 BEAEHN CC(C)Oc1ncccc1CNc1nccn1C ZINC000050606278 167313969 /nfs/dbraw/zinc/31/39/69/167313969.db2.gz NTKCPQBYTRASIN-UHFFFAOYSA-N 0 3 246.314 2.214 10 0 BEAEHN CC(C)Sc1ccc(CNCCO)cc1 ZINC000098125018 167336877 /nfs/dbraw/zinc/33/68/77/167336877.db2.gz LBYRMLZWQABYIJ-UHFFFAOYSA-N 0 3 225.357 2.269 10 0 BEAEHN CC(C)[C@@H](CNC1COC1)c1ccccc1 ZINC000231359689 167398303 /nfs/dbraw/zinc/39/83/03/167398303.db2.gz KTTOLEQVYWZFOZ-CQSZACIVSA-N 0 3 219.328 2.415 10 0 BEAEHN Cc1cc(C)c([C@@H](C)N[C@@H]2CCNC2=O)cc1C ZINC000658055679 411222397 /nfs/dbraw/zinc/22/23/97/411222397.db2.gz UALZZMRSMGGEHU-TZMCWYRMSA-N 0 3 246.354 2.151 10 0 BEAEHN CCc1ccc([C@H](CC)N[C@@H]2CCNC2=O)cc1 ZINC000658054222 411223533 /nfs/dbraw/zinc/22/35/33/411223533.db2.gz OXBREOGTNHARGC-UONOGXRCSA-N 0 3 246.354 2.178 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1ccc(F)c(F)c1 ZINC000658350588 411352019 /nfs/dbraw/zinc/35/20/19/411352019.db2.gz GKTTYTXCGCJQOP-SILCLGDVSA-N 0 3 241.281 2.386 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1cccc(F)c1 ZINC000658352063 411355424 /nfs/dbraw/zinc/35/54/24/411355424.db2.gz SCFVKCQGWFRFTE-TTXORMCVSA-N 0 3 223.291 2.247 10 0 BEAEHN CC1(CN[C@@H]2CCOc3ccccc32)COC1 ZINC000079475267 168044969 /nfs/dbraw/zinc/04/49/69/168044969.db2.gz KJBIPXHLZFEBNR-GFCCVEGCSA-N 0 3 233.311 2.136 10 0 BEAEHN CC(C)(C)[C@@H](N)C(=O)NC1(C)CCCCC1 ZINC000077503799 168060210 /nfs/dbraw/zinc/06/02/10/168060210.db2.gz PVLHKQKHUIHETN-JTQLQIEISA-N 0 3 226.364 2.199 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000659359113 411375278 /nfs/dbraw/zinc/37/52/78/411375278.db2.gz WMXMKRGJUZSRNY-YPMHNXCESA-N 0 3 238.375 2.023 10 0 BEAEHN CC1CCN(Cn2nnc3ccccc32)CC1 ZINC000002016786 168184504 /nfs/dbraw/zinc/18/45/04/168184504.db2.gz XVKUXOGKVYMCFD-UHFFFAOYSA-N 0 3 230.315 2.121 10 0 BEAEHN CC1CCN([C@H]2COc3ccccc3[C@H]2N)CC1 ZINC000019272116 168188133 /nfs/dbraw/zinc/18/81/33/168188133.db2.gz ODRLCXPWCDQCLZ-DZGCQCFKSA-N 0 3 246.354 2.179 10 0 BEAEHN c1cnc2cc([C@@H]3COCCCN3)ccc2c1 ZINC000616648966 411411529 /nfs/dbraw/zinc/41/15/29/411411529.db2.gz YRKFQMHECDOKHS-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1ccc(Cl)cn1 ZINC000658354218 411475129 /nfs/dbraw/zinc/47/51/29/411475129.db2.gz YBEMTTZVQCHRNT-SILCLGDVSA-N 0 3 240.734 2.157 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnc2n1CCC2 ZINC000657385594 411489115 /nfs/dbraw/zinc/48/91/15/411489115.db2.gz UPYPHWTYNSDWEY-CMPLNLGQSA-N 0 3 219.332 2.108 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2cccnc21 ZINC000217742925 411529995 /nfs/dbraw/zinc/52/99/95/411529995.db2.gz WUPKADMPQJFLKB-BFHYXJOUSA-N 0 3 246.354 2.352 10 0 BEAEHN CCN1CC[C@@H](CNCc2ccccc2)OC1=O ZINC000021987992 170008453 /nfs/dbraw/zinc/00/84/53/170008453.db2.gz WCEZIUVJQVCEAC-ZDUSSCGKSA-N 0 3 248.326 2.007 10 0 BEAEHN CCN1CC[C@@H](N[C@H](C)c2ccc(C)o2)C1 ZINC000328355345 170014587 /nfs/dbraw/zinc/01/45/87/170014587.db2.gz OTQWKQQFLALOQA-VXGBXAGGSA-N 0 3 222.332 2.333 10 0 BEAEHN CCN1C[C@@H](C)NC[C@@H]1c1cccs1 ZINC000083346380 170030722 /nfs/dbraw/zinc/03/07/22/170030722.db2.gz FZGMRMMTWOPYJU-NXEZZACHSA-N 0 3 210.346 2.103 10 0 BEAEHN CCNC(=O)CCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000135716896 170053145 /nfs/dbraw/zinc/05/31/45/170053145.db2.gz SOSFCFHMODYLAD-ZDUSSCGKSA-N 0 3 248.370 2.480 10 0 BEAEHN CCNC(=O)CN[C@H](C)c1ccc(CC)cc1 ZINC000035138690 170065559 /nfs/dbraw/zinc/06/55/59/170065559.db2.gz CLOAAXHBQQXTCK-LLVKDONJSA-N 0 3 234.343 2.036 10 0 BEAEHN CCNC(c1cccnc1)c1cccnc1 ZINC000037761926 170107615 /nfs/dbraw/zinc/10/76/15/170107615.db2.gz AGPUJFLRCHJGIM-UHFFFAOYSA-N 0 3 213.284 2.176 10 0 BEAEHN CCNCC(=O)c1ccc(OCC)c(C)c1 ZINC000071523209 170110352 /nfs/dbraw/zinc/11/03/52/170110352.db2.gz YSCKTLZUKJKBIB-UHFFFAOYSA-N 0 3 221.300 2.186 10 0 BEAEHN CCNCc1cc(OC)c(CC)cc1OC ZINC000096890019 170125860 /nfs/dbraw/zinc/12/58/60/170125860.db2.gz OGHUSEVJDOKOTQ-UHFFFAOYSA-N 0 3 223.316 2.376 10 0 BEAEHN CCNCc1cccnc1N(C)[C@H](C)C1CC1 ZINC000051445408 170128866 /nfs/dbraw/zinc/12/88/66/170128866.db2.gz ICCDOSXOEXBUIS-LLVKDONJSA-N 0 3 233.359 2.426 10 0 BEAEHN CCNCc1cnn(C2CCCC2)c1C ZINC000042355973 170129850 /nfs/dbraw/zinc/12/98/50/170129850.db2.gz UZTPDCIVTSXUIL-UHFFFAOYSA-N 0 3 207.321 2.416 10 0 BEAEHN CCNCc1cnc(-n2ccnc2)c(Cl)c1 ZINC000051489933 170130083 /nfs/dbraw/zinc/13/00/83/170130083.db2.gz JLBRQBXKBXJREE-UHFFFAOYSA-N 0 3 236.706 2.030 10 0 BEAEHN CCNCc1cnn(-c2cccc(F)c2)c1 ZINC000049668146 170130145 /nfs/dbraw/zinc/13/01/45/170130145.db2.gz VNAMSUWRBKDVJS-UHFFFAOYSA-N 0 3 219.263 2.121 10 0 BEAEHN CCNCc1cnn(-c2ccc(OC)cc2)c1C ZINC000062986683 170130182 /nfs/dbraw/zinc/13/01/82/170130182.db2.gz SWTDWURVSRHXTM-UHFFFAOYSA-N 0 3 245.326 2.299 10 0 BEAEHN CCNCc1cnn(-c2ccccc2)c1C ZINC000042355325 170130426 /nfs/dbraw/zinc/13/04/26/170130426.db2.gz HKFHQLPINNUTLW-UHFFFAOYSA-N 0 3 215.300 2.290 10 0 BEAEHN CCNCc1cnn(-c2cccc(F)c2)c1C ZINC000042356148 170130486 /nfs/dbraw/zinc/13/04/86/170130486.db2.gz IQCWXUBNJZLZJN-UHFFFAOYSA-N 0 3 233.290 2.429 10 0 BEAEHN CCNCc1nc(-n2cccn2)ccc1Cl ZINC000051489103 170131507 /nfs/dbraw/zinc/13/15/07/170131507.db2.gz MVAXLFHZFAWODT-UHFFFAOYSA-N 0 3 236.706 2.030 10 0 BEAEHN CCN[C@@H](C)c1ccc(F)cc1OCCCO ZINC000062746734 170141820 /nfs/dbraw/zinc/14/18/20/170141820.db2.gz LGFQTGBCRHCMMX-JTQLQIEISA-N 0 3 241.306 2.257 10 0 BEAEHN CCN[C@@H](C)c1cnc([C@@H]2CCOC2)s1 ZINC000054160282 170142627 /nfs/dbraw/zinc/14/26/27/170142627.db2.gz JDLMJPCCHKUQMK-DTWKUNHWSA-N 0 3 226.345 2.318 10 0 BEAEHN CCN[C@@H](C)c1nc2cc(F)ccc2[nH]1 ZINC000062366133 170143375 /nfs/dbraw/zinc/14/33/75/170143375.db2.gz NPULCHLQNBNVNR-ZETCQYMHSA-N 0 3 207.252 2.373 10 0 BEAEHN CCN[C@@H](CC)C(=O)c1ccc(OC)cc1 ZINC000071523043 170144273 /nfs/dbraw/zinc/14/42/73/170144273.db2.gz SZBBAOZTUVSHKF-LBPRGKRZSA-N 0 3 221.300 2.266 10 0 BEAEHN CCN[C@@H](CO)c1ccc(OC(C)C)c(F)c1 ZINC000071550655 170144694 /nfs/dbraw/zinc/14/46/94/170144694.db2.gz IHAUZVKNOMGOTI-LBPRGKRZSA-N 0 3 241.306 2.256 10 0 BEAEHN CCN[C@@H](c1ccc(C)cc1C)[C@H]1COCCO1 ZINC000055299979 170147195 /nfs/dbraw/zinc/14/71/95/170147195.db2.gz RKICHPIMUIPRSE-CABCVRRESA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@@H](c1ccc(C)cc1)[C@H]1COCCO1 ZINC000055299918 170147365 /nfs/dbraw/zinc/14/73/65/170147365.db2.gz BQQSAMNZRBMDAC-KGLIPLIRSA-N 0 3 235.327 2.061 10 0 BEAEHN CCN[C@H](c1cnn(C)c1)c1cccc(C)c1 ZINC000035556002 170148503 /nfs/dbraw/zinc/14/85/03/170148503.db2.gz OMXKAQKWFGCVIY-AWEZNQCLSA-N 0 3 229.327 2.427 10 0 BEAEHN CCN[C@@H](c1ccco1)[C@H]1CCCOC1 ZINC000062234555 170148785 /nfs/dbraw/zinc/14/87/85/170148785.db2.gz UGRFARVEKRSUDG-CMPLNLGQSA-N 0 3 209.289 2.357 10 0 BEAEHN CCN[C@@H](c1nc(C)cs1)[C@@H]1CCOC1 ZINC000041061044 170149225 /nfs/dbraw/zinc/14/92/25/170149225.db2.gz KYJIKLBERHWDNE-NXEZZACHSA-N 0 3 226.345 2.139 10 0 BEAEHN CCN[C@@H](c1cnn(C)c1)c1ccccc1C ZINC000035556096 170149416 /nfs/dbraw/zinc/14/94/16/170149416.db2.gz AVIHWPXCJIZNQI-AWEZNQCLSA-N 0 3 229.327 2.427 10 0 BEAEHN CCN[C@@H]1CCCOc2cc3c(cc21)OCO3 ZINC000035654439 170150322 /nfs/dbraw/zinc/15/03/22/170150322.db2.gz BHGVORYERMPAIL-SNVBAGLBSA-N 0 3 235.283 2.239 10 0 BEAEHN CCN[C@@H]1CCCc2nc(CSC)ncc21 ZINC000054497124 170152103 /nfs/dbraw/zinc/15/21/03/170152103.db2.gz ZPEHULBMEYMIFV-SNVBAGLBSA-N 0 3 237.372 2.327 10 0 BEAEHN CCN[C@@](C)(C(N)=O)c1ccc2ccccc2c1 ZINC000037447672 170154712 /nfs/dbraw/zinc/15/47/12/170154712.db2.gz FEJRXROUHRGZMR-OAHLLOKOSA-N 0 3 242.322 2.150 10 0 BEAEHN CCN[C@@](CC(C)C)(C(N)=O)c1ccccc1 ZINC000037447546 170154722 /nfs/dbraw/zinc/15/47/22/170154722.db2.gz BCMQVBQHCIQOSV-CQSZACIVSA-N 0 3 234.343 2.023 10 0 BEAEHN CCN[C@@](C)(CO)c1cccc(Cl)c1 ZINC000038120182 170154792 /nfs/dbraw/zinc/15/47/92/170154792.db2.gz QCWGIESPURXKKN-NSHDSACASA-N 0 3 213.708 2.157 10 0 BEAEHN CCN[C@H](CC)C(=O)c1ccccc1OC ZINC000071523113 170160902 /nfs/dbraw/zinc/16/09/02/170160902.db2.gz VXTCJBRVZUORLR-LLVKDONJSA-N 0 3 221.300 2.266 10 0 BEAEHN CCN[C@H](C[C@H]1CCCO1)c1cncc(F)c1 ZINC000049576348 170162722 /nfs/dbraw/zinc/16/27/22/170162722.db2.gz YRBDTSWDKNQQBW-CHWSQXEVSA-N 0 3 238.306 2.440 10 0 BEAEHN CCN[C@H](c1nc(C)c(C)s1)[C@H]1CCOC1 ZINC000041061111 170165401 /nfs/dbraw/zinc/16/54/01/170165401.db2.gz NWGPQXKLACXNMF-QWRGUYRKSA-N 0 3 240.372 2.447 10 0 BEAEHN CCN[C@H]1CC[S@@](=O)c2cc(C)c(C)cc21 ZINC000040975102 170168815 /nfs/dbraw/zinc/16/88/15/170168815.db2.gz VDBKWOHFGIGVGE-LRDDRELGSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@](CC(C)C)(C(N)=O)c1ccccc1 ZINC000037447544 170170642 /nfs/dbraw/zinc/17/06/42/170170642.db2.gz BCMQVBQHCIQOSV-AWEZNQCLSA-N 0 3 234.343 2.023 10 0 BEAEHN CCNc1cc(CN2CCCCC2)ccn1 ZINC000052716881 170172451 /nfs/dbraw/zinc/17/24/51/170172451.db2.gz NYJRDMIFYLJOSL-UHFFFAOYSA-N 0 3 219.332 2.499 10 0 BEAEHN CCOC(=O)CCN1CCC[C@@H]1c1ccco1 ZINC000116404670 170206510 /nfs/dbraw/zinc/20/65/10/170206510.db2.gz FFQLBHBEAMGXJS-LLVKDONJSA-N 0 3 237.299 2.370 10 0 BEAEHN CCOC(=O)CCNCc1ccc(F)c(C)c1 ZINC000049957211 170209156 /nfs/dbraw/zinc/20/91/56/170209156.db2.gz QEMUAWOLFAISGN-UHFFFAOYSA-N 0 3 239.290 2.177 10 0 BEAEHN Cc1c(CNCCCOC(C)(C)C)cnn1C ZINC000657637234 411567650 /nfs/dbraw/zinc/56/76/50/411567650.db2.gz DQRPYUYMNFXOPK-UHFFFAOYSA-N 0 3 239.363 2.023 10 0 BEAEHN CCOC(=O)C[C@H](N)c1cc(C)cc(C)c1 ZINC000003678320 170233656 /nfs/dbraw/zinc/23/36/56/170233656.db2.gz HLCCNLBRPAQXEI-LBPRGKRZSA-N 0 3 221.300 2.256 10 0 BEAEHN CCOC(=O)[C@H](C)N1CCCCC[C@H]1C ZINC000250668890 170266417 /nfs/dbraw/zinc/26/64/17/170266417.db2.gz KGURDCFEXZQRQY-MNOVXSKESA-N 0 3 213.321 2.203 10 0 BEAEHN CCOC(=O)[C@H](C)Oc1ccccc1[C@@H](C)N ZINC000049954623 170269077 /nfs/dbraw/zinc/26/90/77/170269077.db2.gz LKPQOJJLNFDTNM-ZJUUUORDSA-N 0 3 237.299 2.037 10 0 BEAEHN CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1N ZINC000032154111 170286318 /nfs/dbraw/zinc/28/63/18/170286318.db2.gz BTKAMSWFNMGLGM-HIFRSBDPSA-N 0 3 245.322 2.165 10 0 BEAEHN OCC1CC(NCc2ccccc2Cl)C1 ZINC000657808774 411600918 /nfs/dbraw/zinc/60/09/18/411600918.db2.gz OFNDCSPGVDSOSF-UHFFFAOYSA-N 0 3 225.719 2.201 10 0 BEAEHN C[C@@H]1C[C@@H]1c1ccc(CNC2CC(CO)C2)o1 ZINC000657808996 411601420 /nfs/dbraw/zinc/60/14/20/411601420.db2.gz RPPTUIAXLLWNOS-PGHLRGPGSA-N 0 3 235.327 2.264 10 0 BEAEHN OCC1CC(NCc2cc3ccccc3o2)C1 ZINC000657809436 411601637 /nfs/dbraw/zinc/60/16/37/411601637.db2.gz YBJHFMGNXYVVDT-UHFFFAOYSA-N 0 3 231.295 2.293 10 0 BEAEHN OCC1CC(NCc2cc(Cl)ccc2F)C1 ZINC000657812314 411603725 /nfs/dbraw/zinc/60/37/25/411603725.db2.gz HUQUQSGIEZCGQS-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN c1ccc(CN[C@H]2CCCSCC2)nc1 ZINC000657814511 411605055 /nfs/dbraw/zinc/60/50/55/411605055.db2.gz APJLHUIZMRKSJR-NSHDSACASA-N 0 3 222.357 2.457 10 0 BEAEHN CCCc1nccnc1NC[C@H]1CCCN(C)C1 ZINC000663579451 411705427 /nfs/dbraw/zinc/70/54/27/411705427.db2.gz ZSBSGKCLFMBTRX-GFCCVEGCSA-N 0 3 248.374 2.183 10 0 BEAEHN CCOc1ccc([C@@H](CO)NC2CC2)cc1F ZINC000071549375 170558521 /nfs/dbraw/zinc/55/85/21/170558521.db2.gz GMIRQRGJLQKBFI-GFCCVEGCSA-N 0 3 239.290 2.010 10 0 BEAEHN CCc1nnc(CN[C@@H](C)C(C)(C)CC)n1C ZINC000661232329 411737171 /nfs/dbraw/zinc/73/71/71/411737171.db2.gz DEMZDIFVQWNMED-JTQLQIEISA-N 0 3 238.379 2.292 10 0 BEAEHN c1nc(C2CC2)sc1CNC[C@@H]1CCCO1 ZINC000133545686 411815656 /nfs/dbraw/zinc/81/56/56/411815656.db2.gz AWVDQZVEDYEKBC-JTQLQIEISA-N 0 3 238.356 2.289 10 0 BEAEHN CC[C@@H]1CN(Cc2ccc(N)c(C)c2)CCN1C ZINC000104355866 171089186 /nfs/dbraw/zinc/08/91/86/171089186.db2.gz AJSGKQITPFJCNV-CQSZACIVSA-N 0 3 247.386 2.103 10 0 BEAEHN CC[C@@H]1CO[C@@H](C)CN1CC(CC)(CC)CO ZINC000051295432 171110538 /nfs/dbraw/zinc/11/05/38/171110538.db2.gz GNEHJWDCVCXBFJ-QWHCGFSZSA-N 0 3 243.391 2.284 10 0 BEAEHN CC[C@@H]1CSC(NCc2ccc(C)nc2)=N1 ZINC000062057078 171113292 /nfs/dbraw/zinc/11/32/92/171113292.db2.gz OVBSBWOCGOGLMY-LLVKDONJSA-N 0 3 235.356 2.361 10 0 BEAEHN CC[C@@H]1CO[C@H](c2cccc(F)c2)CN1 ZINC000036672756 171114753 /nfs/dbraw/zinc/11/47/53/171114753.db2.gz ALYPCOPSVXIWIW-NEPJUHHUSA-N 0 3 209.264 2.265 10 0 BEAEHN CC[C@@H]1Cc2cc(OC)cc(OC)c2CN1 ZINC000052095343 171143609 /nfs/dbraw/zinc/14/36/09/171143609.db2.gz ZYGWXAWREUAUSY-SNVBAGLBSA-N 0 3 221.300 2.128 10 0 BEAEHN CCc1sc(Nc2ccc(O)cc2)nc1O ZINC000011638038 171154250 /nfs/dbraw/zinc/15/42/50/171154250.db2.gz WKOPBCAECANQIW-VIFPVBQESA-N 0 3 236.296 2.212 10 0 BEAEHN CCC1SC(Nc2ccc(O)cc2)=NC1=O ZINC000011638038 171154252 /nfs/dbraw/zinc/15/42/52/171154252.db2.gz WKOPBCAECANQIW-VIFPVBQESA-N 0 3 236.296 2.212 10 0 BEAEHN CC[C@H](C)N(C)c1nc(C)cc(C)c1CN ZINC000040509397 171309096 /nfs/dbraw/zinc/30/90/96/171309096.db2.gz DBISWAXVIWMMSQ-NSHDSACASA-N 0 3 221.348 2.392 10 0 BEAEHN CC[C@H](C)N(C)c1nc2ccccn2c1CNC ZINC000035449330 171309886 /nfs/dbraw/zinc/30/98/86/171309886.db2.gz RYTZQMUCNVFVQO-NSHDSACASA-N 0 3 246.358 2.288 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1ccccc1F ZINC000020036572 171339564 /nfs/dbraw/zinc/33/95/64/171339564.db2.gz OAUHXHYPIKIDEB-VIFPVBQESA-N 0 3 224.279 2.152 10 0 BEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1ccc(C)cc1C ZINC000038064893 171345495 /nfs/dbraw/zinc/34/54/95/171345495.db2.gz KVPGMAGJCMUWNE-WCQYABFASA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@H](C)N[C@@H]1COc2cc(O)ccc21 ZINC000019882706 171347483 /nfs/dbraw/zinc/34/74/83/171347483.db2.gz RUQFRMFGYJYARF-GZMMTYOYSA-N 0 3 207.273 2.214 10 0 BEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1ccc(C)c(C)c1 ZINC000038065749 171348777 /nfs/dbraw/zinc/34/87/77/171348777.db2.gz KQGQOBDJDQWFCS-WFASDCNBSA-N 0 3 248.370 2.392 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)[C@@H](C)CC(C)C ZINC000037807306 171369965 /nfs/dbraw/zinc/36/99/65/171369965.db2.gz ZAPSZWBQNQPBHC-SDDRHHMPSA-N 0 3 228.380 2.253 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000042494730 171392822 /nfs/dbraw/zinc/39/28/22/171392822.db2.gz IXXRPJONFAAAKV-VOAKCMCISA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000042494724 171392865 /nfs/dbraw/zinc/39/28/65/171392865.db2.gz IXXRPJONFAAAKV-RVMXOQNASA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1OC ZINC000011959915 171396553 /nfs/dbraw/zinc/39/65/53/171396553.db2.gz SRMHWLICVOYIIQ-CABZTGNLSA-N 0 3 236.315 2.007 10 0 BEAEHN CC[C@H](N)C(=O)N[C@@H](CC)c1cccs1 ZINC000049532178 171480954 /nfs/dbraw/zinc/48/09/54/171480954.db2.gz ZJVCDVQERKQGDC-IUCAKERBSA-N 0 3 226.345 2.053 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662517111 412202473 /nfs/dbraw/zinc/20/24/73/412202473.db2.gz QVIHGFBVBBNTCY-YGRLFVJLSA-N 0 3 244.338 2.208 10 0 BEAEHN CC[C@H](O)C1(c2cccc(O)c2)CCN(C)CC1 ZINC000082312290 171553695 /nfs/dbraw/zinc/55/36/95/171553695.db2.gz CUWNYXLTWXEDNK-AWEZNQCLSA-N 0 3 249.354 2.127 10 0 BEAEHN CCC[C@H](N)C(=O)NCc1cc(C)cc(C)c1 ZINC000662647866 412254800 /nfs/dbraw/zinc/25/48/00/412254800.db2.gz SZIBLJUJROCQMH-ZDUSSCGKSA-N 0 3 234.343 2.047 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NCc1cc(C)cc(C)c1 ZINC000662646322 412255630 /nfs/dbraw/zinc/25/56/30/412255630.db2.gz INZFHJBFUPOYOU-GXTWGEPZSA-N 0 3 248.370 2.293 10 0 BEAEHN CCC[C@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662712550 412280127 /nfs/dbraw/zinc/28/01/27/412280127.db2.gz GEXRKYIIOAMJEQ-OLZOCXBDSA-N 0 3 238.375 2.153 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662712545 412280153 /nfs/dbraw/zinc/28/01/53/412280153.db2.gz GEXRKYIIOAMJEQ-CHWSQXEVSA-N 0 3 238.375 2.153 10 0 BEAEHN CC[C@@H](C)CCNC(=O)[C@]1(C)CCCCN1 ZINC000662628437 412246076 /nfs/dbraw/zinc/24/60/76/412246076.db2.gz ZRAQXFUEZXPAAS-YPMHNXCESA-N 0 3 226.364 2.071 10 0 BEAEHN CCc1nc([C@@H](NC)[C@@H]2CCOC2)sc1C ZINC000041060664 172003606 /nfs/dbraw/zinc/00/36/06/172003606.db2.gz UTAQTWBNQJUQTL-KOLCDFICSA-N 0 3 240.372 2.311 10 0 BEAEHN CCn1c2ccc(F)cc2nc1C(C)(C)N ZINC000040911256 172134996 /nfs/dbraw/zinc/13/49/96/172134996.db2.gz NOINCXUMISYIHM-UHFFFAOYSA-N 0 3 221.279 2.389 10 0 BEAEHN CCn1cc(C2CCN(CCC(C)=O)CC2)cn1 ZINC000103473288 172158557 /nfs/dbraw/zinc/15/85/57/172158557.db2.gz YCOPVVWURMCPHZ-UHFFFAOYSA-N 0 3 249.358 2.062 10 0 BEAEHN CCn1cc(CNCCc2ccsc2)cn1 ZINC000050539681 172170103 /nfs/dbraw/zinc/17/01/03/172170103.db2.gz LANLQOWFEROJFS-UHFFFAOYSA-N 0 3 235.356 2.297 10 0 BEAEHN CCn1cc([C@@H](N)c2cccc(C)c2)cn1 ZINC000043469276 172193887 /nfs/dbraw/zinc/19/38/87/172193887.db2.gz HLJLLOPSRWFJHE-ZDUSSCGKSA-N 0 3 215.300 2.260 10 0 BEAEHN CCn1cccc1CNCCOCC1CC1 ZINC000234190192 172207616 /nfs/dbraw/zinc/20/76/16/172207616.db2.gz YPODCELUSDWPJS-UHFFFAOYSA-N 0 3 222.332 2.024 10 0 BEAEHN CCn1cccc1CNCCc1nccs1 ZINC000085609579 172207854 /nfs/dbraw/zinc/20/78/54/172207854.db2.gz BZGJRITUJCUYES-UHFFFAOYSA-N 0 3 235.356 2.297 10 0 BEAEHN CCn1nc(-c2ccc(F)cc2)c2c1CCNC2 ZINC000028011173 172241459 /nfs/dbraw/zinc/24/14/59/172241459.db2.gz NSAMZZPPLXKFND-UHFFFAOYSA-N 0 3 245.301 2.355 10 0 BEAEHN CN(C)[C@@H](CN)c1cc(Cl)ccc1F ZINC000082596382 172518538 /nfs/dbraw/zinc/51/85/38/172518538.db2.gz XEVSAPLLPAIHJU-JTQLQIEISA-N 0 3 216.687 2.041 10 0 BEAEHN CN(Cc1cccnc1)C[C@@H](N)c1ccccc1 ZINC000036771164 172884488 /nfs/dbraw/zinc/88/44/88/172884488.db2.gz MSBSYPLQQATNQM-OAHLLOKOSA-N 0 3 241.338 2.213 10 0 BEAEHN CN1CCCN(c2ccc(Cl)cc2N)CC1 ZINC000020217458 173018256 /nfs/dbraw/zinc/01/82/56/173018256.db2.gz ILBKFOIXCCHGJM-UHFFFAOYSA-N 0 3 239.750 2.064 10 0 BEAEHN CN1CCC[C@H]1COc1cccc(F)c1 ZINC000026387348 173057647 /nfs/dbraw/zinc/05/76/47/173057647.db2.gz YMSPBBGEZQILFC-NSHDSACASA-N 0 3 209.264 2.299 10 0 BEAEHN CN1CCOCC12C1CC3CC(C1)CC2C3 ZINC000026987381 173097976 /nfs/dbraw/zinc/09/79/76/173097976.db2.gz QUHRYIAHSALUPF-UHFFFAOYSA-N 0 3 221.344 2.143 10 0 BEAEHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000026143652 173128567 /nfs/dbraw/zinc/12/85/67/173128567.db2.gz MVNHJEXPDKVMJY-AAEUAGOBSA-N 0 3 239.746 2.368 10 0 BEAEHN CN1CC[C@H](Nc2ccc(Cl)cc2N)C1 ZINC000042545179 173154377 /nfs/dbraw/zinc/15/43/77/173154377.db2.gz QOKYWDLDLLHNEH-VIFPVBQESA-N 0 3 225.723 2.038 10 0 BEAEHN CN1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000082807626 173168813 /nfs/dbraw/zinc/16/88/13/173168813.db2.gz ABKUFOHGGVDEEB-UHFFFAOYSA-N 0 3 231.274 2.204 10 0 BEAEHN CN1Cc2c(c(Cl)ccc2Cl)[C@H]1CN ZINC000082702808 173199992 /nfs/dbraw/zinc/19/99/92/173199992.db2.gz MNOVYNHTMPZYMU-SECBINFHSA-N 0 3 231.126 2.439 10 0 BEAEHN CNC(=O)CCN[C@H](C)c1ccc(C)cc1C ZINC000044988248 173260370 /nfs/dbraw/zinc/26/03/70/173260370.db2.gz RVSSSEFYTAQJLE-GFCCVEGCSA-N 0 3 234.343 2.090 10 0 BEAEHN CNC(=O)CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037207570 173277348 /nfs/dbraw/zinc/27/73/48/173277348.db2.gz LXBGCXJKGFPRHO-LBPRGKRZSA-N 0 3 248.370 2.282 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(C)c(F)c1 ZINC000061300219 173318495 /nfs/dbraw/zinc/31/84/95/173318495.db2.gz ACASQTSLLCEOFI-UHFFFAOYSA-N 0 3 224.279 2.071 10 0 BEAEHN CNC(C)(C)C(=O)Nc1c(C)cccc1C ZINC000061300230 173318587 /nfs/dbraw/zinc/31/85/87/173318587.db2.gz UEAQAEOKHXWHGC-UHFFFAOYSA-N 0 3 220.316 2.240 10 0 BEAEHN CNC(C)(C)c1nc2ccc(F)cc2n1C ZINC000061149875 173320927 /nfs/dbraw/zinc/32/09/27/173320927.db2.gz FWYMPESWJHLIFS-UHFFFAOYSA-N 0 3 221.279 2.167 10 0 BEAEHN CNCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000045919743 173324950 /nfs/dbraw/zinc/32/49/50/173324950.db2.gz JSYPSYXJOVJJML-UHFFFAOYSA-N 0 3 234.343 2.033 10 0 BEAEHN CNCC(=O)Nc1cc(Cl)ccc1Cl ZINC000019431608 173334004 /nfs/dbraw/zinc/33/40/04/173334004.db2.gz ZGMFOFQHICORTN-UHFFFAOYSA-N 0 3 233.098 2.151 10 0 BEAEHN CNC[C@@H](O)c1cc2cc(Cl)ccc2o1 ZINC000083048787 173365656 /nfs/dbraw/zinc/36/56/56/173365656.db2.gz NAWKHDGCPHCBHQ-SECBINFHSA-N 0 3 225.675 2.339 10 0 BEAEHN CNCc1c(C)nn(-c2cccc(F)c2)c1C ZINC000049668137 173384184 /nfs/dbraw/zinc/38/41/84/173384184.db2.gz JDKRTGZOHRSURQ-UHFFFAOYSA-N 0 3 233.290 2.348 10 0 BEAEHN CNCc1cc(C)nc(-c2cccs2)n1 ZINC000054830982 173385673 /nfs/dbraw/zinc/38/56/73/173385673.db2.gz NNQIHNBVZPPENL-UHFFFAOYSA-N 0 3 219.313 2.233 10 0 BEAEHN CNCc1cc(C)ccc1O[C@@H]1CCC[C@@H]1O ZINC000071403596 173385736 /nfs/dbraw/zinc/38/57/36/173385736.db2.gz QRBMFYJAEJNBTC-GXTWGEPZSA-N 0 3 235.327 2.007 10 0 BEAEHN CNCc1cc(C)nc(-c2ccccc2)n1 ZINC000054830889 173385964 /nfs/dbraw/zinc/38/59/64/173385964.db2.gz VSDMUVVCYMJOCM-UHFFFAOYSA-N 0 3 213.284 2.171 10 0 BEAEHN CNCc1cc2c(cc1OC1CCCC1)OCO2 ZINC000042874080 173387040 /nfs/dbraw/zinc/38/70/40/173387040.db2.gz NGMVDSZPWOHQDU-UHFFFAOYSA-N 0 3 249.310 2.456 10 0 BEAEHN CNCc1cc(N2CCc3ccccc32)ccn1 ZINC000051435155 173387305 /nfs/dbraw/zinc/38/73/05/173387305.db2.gz SGYCBBKPRCVVEB-UHFFFAOYSA-N 0 3 239.322 2.495 10 0 BEAEHN CNCc1cc(N2CCCCCC2)ccn1 ZINC000051400054 173387573 /nfs/dbraw/zinc/38/75/73/173387573.db2.gz BLVWYSKTOHAGJX-UHFFFAOYSA-N 0 3 219.332 2.181 10 0 BEAEHN C[NH2+]Cc1ccc([O-])c(C(F)(F)F)c1 ZINC000070953324 173388590 /nfs/dbraw/zinc/38/85/90/173388590.db2.gz WVNGGOJDGUNUAF-UHFFFAOYSA-N 0 3 205.179 2.130 10 0 BEAEHN CNCc1ccc(O[C@@H](C)c2ccccc2)nn1 ZINC000051526122 173388969 /nfs/dbraw/zinc/38/89/69/173388969.db2.gz IHLCVNRTJNMYMC-NSHDSACASA-N 0 3 243.310 2.336 10 0 BEAEHN CNCc1ccccc1NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000131123055 173390203 /nfs/dbraw/zinc/39/02/03/173390203.db2.gz CVEHDTCVJXJGSZ-ONXXMXGDSA-N 0 3 244.338 2.391 10 0 BEAEHN CNCc1ccnc(Cc2cccc(Cl)c2)n1 ZINC000054791193 173391377 /nfs/dbraw/zinc/39/13/77/173391377.db2.gz WAALJTJJCQALEC-UHFFFAOYSA-N 0 3 247.729 2.440 10 0 BEAEHN CNCc1ccoc1Cn1ncc2ccccc21 ZINC000052574109 173391751 /nfs/dbraw/zinc/39/17/51/173391751.db2.gz AQJYFWFMRPISOG-UHFFFAOYSA-N 0 3 241.294 2.397 10 0 BEAEHN CNCc1cnc(N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000054899689 173392207 /nfs/dbraw/zinc/39/22/07/173392207.db2.gz FTSKHYNBSXNPNE-UWVGGRQHSA-N 0 3 239.388 2.345 10 0 BEAEHN CNCc1cnc(N2CCC(C)CC2)s1 ZINC000054899877 173392309 /nfs/dbraw/zinc/39/23/09/173392309.db2.gz FPCWWJUAWNBYGW-UHFFFAOYSA-N 0 3 225.361 2.099 10 0 BEAEHN CNCc1cnc(C2CCCCC2)nc1 ZINC000054855527 173392333 /nfs/dbraw/zinc/39/23/33/173392333.db2.gz TZHHWHNEWMLKKZ-UHFFFAOYSA-N 0 3 205.305 2.244 10 0 BEAEHN CNCc1cnc(Cc2ccccc2OC)s1 ZINC000040996594 173392527 /nfs/dbraw/zinc/39/25/27/173392527.db2.gz GOUSYUFUTJEWLJ-UHFFFAOYSA-N 0 3 248.351 2.462 10 0 BEAEHN CNCc1nc(-c2ccccc2Cl)c[nH]1 ZINC000036877282 173397636 /nfs/dbraw/zinc/39/76/36/173397636.db2.gz LKCFVFAUUDRWPI-UHFFFAOYSA-N 0 3 221.691 2.450 10 0 BEAEHN CN[C@@H](C)c1cnc(CSC)s1 ZINC000054497017 173419996 /nfs/dbraw/zinc/41/99/96/173419996.db2.gz YFKCEKBKMBQYAA-LURJTMIESA-N 0 3 202.348 2.287 10 0 BEAEHN COCCCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000117883815 174189700 /nfs/dbraw/zinc/18/97/00/174189700.db2.gz AVDKMNNTQPMZRL-ZDUSSCGKSA-N 0 3 237.347 2.363 10 0 BEAEHN COCCCN(C)C[C@H](C)C(=O)c1ccccc1 ZINC000062035229 174218241 /nfs/dbraw/zinc/21/82/41/174218241.db2.gz HBFUELSRGWSHKX-ZDUSSCGKSA-N 0 3 249.354 2.474 10 0 BEAEHN COCCCOC[C@H](N)c1ccc(C)c(C)c1 ZINC000037747188 174255392 /nfs/dbraw/zinc/25/53/92/174255392.db2.gz QQMWCPMIXMVOCY-AWEZNQCLSA-N 0 3 237.343 2.356 10 0 BEAEHN COCCCO[C@H](C)[C@@H](N)c1ccc(C)cc1 ZINC000037747093 174256060 /nfs/dbraw/zinc/25/60/60/174256060.db2.gz WMRLSMTXSCDDCV-TZMCWYRMSA-N 0 3 237.343 2.436 10 0 BEAEHN COCCCO[C@@H]1CCc2ccccc2[C@H]1N ZINC000037747209 174256201 /nfs/dbraw/zinc/25/62/01/174256201.db2.gz UQBGBWCNBWCZCX-ZIAGYGMSSA-N 0 3 235.327 2.054 10 0 BEAEHN COCCN(C)C[C@H](C)C(=O)c1ccccc1 ZINC000053936478 174279718 /nfs/dbraw/zinc/27/97/18/174279718.db2.gz VXEHWUOQSYQLBD-LBPRGKRZSA-N 0 3 235.327 2.084 10 0 BEAEHN COCCN([C@@H](C)[C@H](N)c1ccccc1)C1CC1 ZINC000042518140 174285159 /nfs/dbraw/zinc/28/51/59/174285159.db2.gz FVKNOARXDDTBTB-WFASDCNBSA-N 0 3 248.370 2.186 10 0 BEAEHN COCCN(C[C@H](N)c1ccccc1C)C1CC1 ZINC000042518167 174297576 /nfs/dbraw/zinc/29/75/76/174297576.db2.gz IYLRTCXTFGZLNU-HNNXBMFYSA-N 0 3 248.370 2.106 10 0 BEAEHN COCCN(Cc1ccccc1N)C(C)C ZINC000035365792 174299144 /nfs/dbraw/zinc/29/91/44/174299144.db2.gz MIFFPUCQNMZZPK-UHFFFAOYSA-N 0 3 222.332 2.126 10 0 BEAEHN COCCN([C@@H](C)C1CC1)[C@@H]1CCCCC1=O ZINC000042680790 174302555 /nfs/dbraw/zinc/30/25/55/174302555.db2.gz RHDGPCHZWQWBET-WCQYABFASA-N 0 3 239.359 2.245 10 0 BEAEHN COCC[NH2+]Cc1ccc([O-])c(C(F)(F)F)c1 ZINC000071398841 174336432 /nfs/dbraw/zinc/33/64/32/174336432.db2.gz HMSXIYPWYPNGNJ-UHFFFAOYSA-N 0 3 249.232 2.147 10 0 BEAEHN COCC[C@@H](N)c1nc2c(cccc2Cl)[nH]1 ZINC000052785272 174393081 /nfs/dbraw/zinc/39/30/81/174393081.db2.gz GCKQGWDNAQYZCH-MRVPVSSYSA-N 0 3 239.706 2.253 10 0 BEAEHN COc1cc(OC)c([C@@H](N)C(C)C)c(OC)c1 ZINC000019967916 175007967 /nfs/dbraw/zinc/00/79/67/175007967.db2.gz LTYZEQZMTRHVIY-ZDUSSCGKSA-N 0 3 239.315 2.368 10 0 BEAEHN COc1cc2c(c(C(C)(C)C)c1)OC[C@@H]2N ZINC000035652776 175019241 /nfs/dbraw/zinc/01/92/41/175019241.db2.gz MLQJKWZWQUVLQS-NSHDSACASA-N 0 3 221.300 2.385 10 0 BEAEHN COc1cc2c(c(OC)c1)[C@H](C1CC1)NCC2 ZINC000052095649 175020476 /nfs/dbraw/zinc/02/04/76/175020476.db2.gz QOQLYRQKDQSEAX-AWEZNQCLSA-N 0 3 233.311 2.301 10 0 BEAEHN COc1ccc(C(=O)[C@@H]2CCCN2)cc1Cl ZINC000036164263 175065037 /nfs/dbraw/zinc/06/50/37/175065037.db2.gz LWMHNPWILCUUDC-JTQLQIEISA-N 0 3 239.702 2.283 10 0 BEAEHN COc1ccc(C)cc1[C@@H]1CN[C@H](C)CO1 ZINC000036673450 175080454 /nfs/dbraw/zinc/08/04/54/175080454.db2.gz ZPBUEGBBIKKHAP-MFKMUULPSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(C)cc1[C@H](CN)N(C)CC1CC1 ZINC000077424053 175082292 /nfs/dbraw/zinc/08/22/92/175082292.db2.gz AZCMZPQPPANWAA-AWEZNQCLSA-N 0 3 248.370 2.345 10 0 BEAEHN COc1ccc(NC(=O)C2(N)CCCC2)cc1C ZINC000049532033 175140805 /nfs/dbraw/zinc/14/08/05/175140805.db2.gz CXTFPXVTRQGPAB-UHFFFAOYSA-N 0 3 248.326 2.214 10 0 BEAEHN COc1ccc(OC)c([C@@H](N)[C@@H]2C[C@@H]2C)c1 ZINC000019967532 175167917 /nfs/dbraw/zinc/16/79/17/175167917.db2.gz GRLDNURJYBKDQY-PLMOITTCSA-N 0 3 221.300 2.360 10 0 BEAEHN COc1ccc(OC)c([C@@H](N)[C@H]2C[C@@H]2C)c1 ZINC000019967534 175168279 /nfs/dbraw/zinc/16/82/79/175168279.db2.gz GRLDNURJYBKDQY-FWDPORAESA-N 0 3 221.300 2.360 10 0 BEAEHN COc1ccc(OC)c2c1CCC[C@@H]2N ZINC000001998464 175170806 /nfs/dbraw/zinc/17/08/06/175170806.db2.gz BFKGQFXJSRWVQK-VIFPVBQESA-N 0 3 207.273 2.040 10 0 BEAEHN COc1ccc([C@@H](C)O)cc1CN1CCCC1 ZINC000050682532 175177910 /nfs/dbraw/zinc/17/79/10/175177910.db2.gz JKZRAZAFIIHGQO-LLVKDONJSA-N 0 3 235.327 2.344 10 0 BEAEHN COc1ccc([C@@H](N)c2cccnc2)cc1OC ZINC000011737287 175180385 /nfs/dbraw/zinc/18/03/85/175180385.db2.gz XMILNLLZSOEZFQ-CQSZACIVSA-N 0 3 244.294 2.147 10 0 BEAEHN COc1ccc([C@H](N)c2cccnc2)c(F)c1 ZINC000036766568 175192596 /nfs/dbraw/zinc/19/25/96/175192596.db2.gz DUZAYCPXYKCQAR-CYBMUJFWSA-N 0 3 232.258 2.277 10 0 BEAEHN COc1ccc([C@H](N)c2cccnc2)cc1OC ZINC000011737288 175192854 /nfs/dbraw/zinc/19/28/54/175192854.db2.gz XMILNLLZSOEZFQ-AWEZNQCLSA-N 0 3 244.294 2.147 10 0 BEAEHN COc1ccc2c(c1)CC[C@H](n1ccnc1)[C@@H]2N ZINC000019264104 175209671 /nfs/dbraw/zinc/20/96/71/175209671.db2.gz ZXNARMDEXQMJAQ-UONOGXRCSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1ccc2c(c1)[C@H](N)CC1(CCC1)O2 ZINC000095616563 175216112 /nfs/dbraw/zinc/21/61/12/175216112.db2.gz CEYIVUSYTKCSHN-LLVKDONJSA-N 0 3 219.284 2.400 10 0 BEAEHN COc1cccc(-c2nc(CNC3CC3)c[nH]2)c1 ZINC000062821406 175236014 /nfs/dbraw/zinc/23/60/14/175236014.db2.gz OJAPTQRJDCNETP-UHFFFAOYSA-N 0 3 243.310 2.337 10 0 BEAEHN COc1cccc(-c2ncc(CNC3CC3)[nH]2)c1 ZINC000062821406 175236017 /nfs/dbraw/zinc/23/60/17/175236017.db2.gz OJAPTQRJDCNETP-UHFFFAOYSA-N 0 3 243.310 2.337 10 0 BEAEHN COc1cccc(CNC2=N[C@H](C)CS2)c1 ZINC000038078036 175263355 /nfs/dbraw/zinc/26/33/55/175263355.db2.gz OOGJCSJSDASYHU-SECBINFHSA-N 0 3 236.340 2.276 10 0 BEAEHN COc1cccc(C[C@H](N)c2ccccn2)c1 ZINC000053816988 175272686 /nfs/dbraw/zinc/27/26/86/175272686.db2.gz HWKPDUSKRKSPGV-ZDUSSCGKSA-N 0 3 228.295 2.333 10 0 BEAEHN COc1cccc([C@@H]2CNCCS2)c1 ZINC000041218901 175291176 /nfs/dbraw/zinc/29/11/76/175291176.db2.gz UZPFXPXQLTUAKF-NSHDSACASA-N 0 3 209.314 2.073 10 0 BEAEHN COc1cccc([C@H](N)c2cccn2C)c1 ZINC000011848702 175294944 /nfs/dbraw/zinc/29/49/44/175294944.db2.gz ODKJAZLAOBDMHB-ZDUSSCGKSA-N 0 3 216.284 2.082 10 0 BEAEHN COc1cccc([C@](C)(N)c2cncc(F)c2)c1 ZINC000049576013 175297084 /nfs/dbraw/zinc/29/70/84/175297084.db2.gz RYWIVRTWVSUMCE-AWEZNQCLSA-N 0 3 246.285 2.452 10 0 BEAEHN COc1cccc2c3c([nH]c21)C=NCC3 ZINC000011919626 175306431 /nfs/dbraw/zinc/30/64/31/175306431.db2.gz LIUNAKJFUYIJFE-UHFFFAOYSA-N 0 3 200.241 2.152 10 0 in-vivo BEAEHN COc1ccccc1-c1nc(CNC2CC2)c[nH]1 ZINC000062821410 175310422 /nfs/dbraw/zinc/31/04/22/175310422.db2.gz AZFJAUXICQEHPY-UHFFFAOYSA-N 0 3 243.310 2.337 10 0 BEAEHN COc1ccccc1-c1ncc(CNC2CC2)[nH]1 ZINC000062821410 175310424 /nfs/dbraw/zinc/31/04/24/175310424.db2.gz AZFJAUXICQEHPY-UHFFFAOYSA-N 0 3 243.310 2.337 10 0 BEAEHN COc1ccccc1-c1nc([C@@H](C)N)c[nH]1 ZINC000082517049 175310912 /nfs/dbraw/zinc/31/09/12/175310912.db2.gz PTVCCQUBUZROIA-MRVPVSSYSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccccc1-c1n[nH]c2c1CN(C)CC2 ZINC000082807632 175311109 /nfs/dbraw/zinc/31/11/09/175311109.db2.gz LEUSCWWBRWWRIP-UHFFFAOYSA-N 0 3 243.310 2.073 10 0 BEAEHN COc1ccccc1CN[C@H]1CCCC[C@@H]1CO ZINC000152307438 175331282 /nfs/dbraw/zinc/33/12/82/175331282.db2.gz BQRYUQBQCZVWMN-KGLIPLIRSA-N 0 3 249.354 2.336 10 0 BEAEHN COc1ccccc1CN[C@H]1CCCC[C@H]1CO ZINC000152307584 175331400 /nfs/dbraw/zinc/33/14/00/175331400.db2.gz BQRYUQBQCZVWMN-KBPBESRZSA-N 0 3 249.354 2.336 10 0 BEAEHN COc1ccccc1Cc1ncc(CN)s1 ZINC000040996544 175334871 /nfs/dbraw/zinc/33/48/71/175334871.db2.gz XQHIUYAEVMMLFS-UHFFFAOYSA-N 0 3 234.324 2.201 10 0 BEAEHN COc1ccccc1[C@@H]1CNCC(C)(C)O1 ZINC000011803120 175348475 /nfs/dbraw/zinc/34/84/75/175348475.db2.gz IHUTXWDIXVHILB-LBPRGKRZSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccccc1[C@H](C)N[C@H](C)[C@H](C)CO ZINC000131734162 175351926 /nfs/dbraw/zinc/35/19/26/175351926.db2.gz QSFCUCNEKRQPNN-UTUOFQBUSA-N 0 3 237.343 2.363 10 0 BEAEHN COc1ccccc1[C@H](N)C[C@@H]1CCCO1 ZINC000037466768 175352936 /nfs/dbraw/zinc/35/29/36/175352936.db2.gz DYTYLICZXXAQEH-CMPLNLGQSA-N 0 3 221.300 2.264 10 0 BEAEHN COc1ccccc1[C@H](N)Cc1ccccn1 ZINC000020429148 175353044 /nfs/dbraw/zinc/35/30/44/175353044.db2.gz DWRKSLGDUDSAIF-CYBMUJFWSA-N 0 3 228.295 2.333 10 0 BEAEHN COc1ccccc1[C@H](N)Cn1nc(C)cc1C ZINC000023066710 175353226 /nfs/dbraw/zinc/35/32/26/175353226.db2.gz PMLCWDKWKZWRIC-CYBMUJFWSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccsc1CN[C@@H]1CCO[C@H]1C ZINC000127312700 175378122 /nfs/dbraw/zinc/37/81/22/175378122.db2.gz OMYYZLYQEOHJMW-DTWKUNHWSA-N 0 3 227.329 2.024 10 0 BEAEHN COc1ccsc1CN[C@H]1CCO[C@H]1C ZINC000127313196 175379734 /nfs/dbraw/zinc/37/97/34/175379734.db2.gz OMYYZLYQEOHJMW-IUCAKERBSA-N 0 3 227.329 2.024 10 0 BEAEHN C[C@@H]1CCCN(c2nc3ccccn3c2CN)C1 ZINC000035433964 176104051 /nfs/dbraw/zinc/10/40/51/176104051.db2.gz FMBPITMPURTXRR-LLVKDONJSA-N 0 3 244.342 2.029 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N2CCc3ccccc32)N1 ZINC000019473945 176112704 /nfs/dbraw/zinc/11/27/04/176112704.db2.gz OKBDVQZEEQZMEZ-YPMHNXCESA-N 0 3 244.338 2.106 10 0 BEAEHN C[C@@H]1CCC[C@@](CO)(NCc2ccco2)C1 ZINC000053115448 176133785 /nfs/dbraw/zinc/13/37/85/176133785.db2.gz FKIFQNVIQXVQSR-DGCLKSJQSA-N 0 3 223.316 2.310 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N2CCc3ccccc32)N1 ZINC000019473949 176135413 /nfs/dbraw/zinc/13/54/13/176135413.db2.gz OKBDVQZEEQZMEZ-DGCLKSJQSA-N 0 3 244.338 2.106 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2)N1 ZINC000019425533 176136303 /nfs/dbraw/zinc/13/63/03/176136303.db2.gz YGXGPIQISVLDPM-BXKDBHETSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@@H]1CCC[C@H](CCNCc2cnnn2C)C1 ZINC000122011931 176137912 /nfs/dbraw/zinc/13/79/12/176137912.db2.gz WHOPLSKYTZUGNQ-VXGBXAGGSA-N 0 3 236.363 2.121 10 0 BEAEHN C[C@@H]1CCC[C@H](NCc2nccn2C)[C@@H]1C ZINC000036804639 176144627 /nfs/dbraw/zinc/14/46/27/176144627.db2.gz YKEVKKSZDXCMAY-UTUOFQBUSA-N 0 3 221.348 2.334 10 0 BEAEHN C[C@@H]1CCC[C@](CO)(NCc2cncs2)C1 ZINC000054788483 176152460 /nfs/dbraw/zinc/15/24/60/176152460.db2.gz TUEGWIZIJWOCFW-PWSUYJOCSA-N 0 3 240.372 2.174 10 0 BEAEHN C[C@@H]1CCN(c2ncccc2CNC2CC2)C1 ZINC000051448275 176182517 /nfs/dbraw/zinc/18/25/17/176182517.db2.gz IISYFHWIJFUCNL-LLVKDONJSA-N 0 3 231.343 2.180 10 0 BEAEHN C[C@@H]1CCN[C@@H](C(=O)NCCC2CCCC2)C1 ZINC000126478470 176186112 /nfs/dbraw/zinc/18/61/12/176186112.db2.gz XNCYOGVNXISGAT-DGCLKSJQSA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@@H]1CCN[C@H](C(=O)NCC2CCCCC2)C1 ZINC000126108172 176187423 /nfs/dbraw/zinc/18/74/23/176187423.db2.gz UZULDVZGGXHSNY-YPMHNXCESA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@@H]1CN(C)C[C@H]1N[C@@H]1CCOc2ccccc21 ZINC000358091782 176277831 /nfs/dbraw/zinc/27/78/31/176277831.db2.gz VWIROWHZCDCPTK-MRVWCRGKSA-N 0 3 246.354 2.050 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1nccn1-c1ccccc1 ZINC000190952093 176404928 /nfs/dbraw/zinc/40/49/28/176404928.db2.gz JGUKRVQZKVZLJO-YPMHNXCESA-N 0 3 227.311 2.370 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1ccccn1 ZINC000231634798 176895140 /nfs/dbraw/zinc/89/51/40/176895140.db2.gz PRMXIGTZMDONRN-OUCADQQQSA-N 0 3 234.343 2.283 10 0 BEAEHN C[C@H](O)c1ccccc1NC1CCN(C)CC1 ZINC000049541993 177018094 /nfs/dbraw/zinc/01/80/94/177018094.db2.gz BTJCTKFTQHEQJD-NSHDSACASA-N 0 3 234.343 2.246 10 0 BEAEHN C[C@H](c1ccc(Cl)s1)N1CC[C@H](N)C1=O ZINC000049649064 177033443 /nfs/dbraw/zinc/03/34/43/177033443.db2.gz ADKXGVQTJWMXLM-RQJHMYQMSA-N 0 3 244.747 2.022 10 0 BEAEHN C[C@H](c1ccc(N)cc1)N1CCCOCC1 ZINC000061914062 177035498 /nfs/dbraw/zinc/03/54/98/177035498.db2.gz ZNRUWZFLFSQIQU-LLVKDONJSA-N 0 3 220.316 2.052 10 0 BEAEHN C[C@H]1CCCCN1CCNCc1cccnc1 ZINC000053343420 177075090 /nfs/dbraw/zinc/07/50/90/177075090.db2.gz FYYQZBXWYTYPOK-ZDUSSCGKSA-N 0 3 233.359 2.046 10 0 BEAEHN C[C@H]1CCCCN1Cc1ccoc1CN ZINC000052378759 177076858 /nfs/dbraw/zinc/07/68/58/177076858.db2.gz CDZVPMKDVFVWQB-JTQLQIEISA-N 0 3 208.305 2.113 10 0 BEAEHN C[C@H]1CCCC[C@H]1NCc1nccn1C ZINC000034937815 177088607 /nfs/dbraw/zinc/08/86/07/177088607.db2.gz CSUDAPHSSUXYJZ-WDEREUQCSA-N 0 3 207.321 2.088 10 0 BEAEHN C[C@@H]1[C@@H](C)CCCN1[C@@H](CN)c1ccccn1 ZINC000050563371 177103412 /nfs/dbraw/zinc/10/34/12/177103412.db2.gz RQQXXCADADSYNI-SCRDCRAPSA-N 0 3 233.359 2.202 10 0 BEAEHN C[C@H]1CCCN1c1ccc(Cl)c(CN)n1 ZINC000051396081 177111903 /nfs/dbraw/zinc/11/19/03/177111903.db2.gz ATYCMJOOWXADGY-QMMMGPOBSA-N 0 3 225.723 2.182 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N2Cc3ccccc3C2)N1 ZINC000050912609 177112960 /nfs/dbraw/zinc/11/29/60/177112960.db2.gz WMRUMDZKXGIQII-FZMZJTMJSA-N 0 3 244.338 2.059 10 0 BEAEHN C[C@@H]1CCC[C@H](C)N1Cc1cccnc1N ZINC000052717081 177116709 /nfs/dbraw/zinc/11/67/09/177116709.db2.gz YOFKIBUSDNTFSW-PHIMTYICSA-N 0 3 219.332 2.427 10 0 BEAEHN C[C@H]1CCC[C@@H](CCNCc2cnnn2C)C1 ZINC000122012603 177119126 /nfs/dbraw/zinc/11/91/26/177119126.db2.gz WHOPLSKYTZUGNQ-RYUDHWBXSA-N 0 3 236.363 2.121 10 0 BEAEHN C[C@H]1CCC[C@@H](Oc2ccnc(CN)c2)C1 ZINC000051542239 177123402 /nfs/dbraw/zinc/12/34/02/177123402.db2.gz LNQBBWZJLDAFQM-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@@](CO)(NCc2cncs2)C1 ZINC000054788482 177127756 /nfs/dbraw/zinc/12/77/56/177127756.db2.gz TUEGWIZIJWOCFW-CMPLNLGQSA-N 0 3 240.372 2.174 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)NC2CCCCCC2)N1 ZINC000037390419 177129289 /nfs/dbraw/zinc/12/92/89/177129289.db2.gz VXAVNDLLJOGWCD-WCQYABFASA-N 0 3 238.375 2.356 10 0 BEAEHN C[C@H]1CCC[C@H](Oc2ccc(CN)cn2)C1 ZINC000034958114 177139283 /nfs/dbraw/zinc/13/92/83/177139283.db2.gz HKRBUKILSDYFOM-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H](Cc1ccco1)NC1=N[C@@H](C)CS1 ZINC000042592121 177303027 /nfs/dbraw/zinc/30/30/27/177303027.db2.gz QFDFBZMYMHQPFV-IUCAKERBSA-N 0 3 224.329 2.292 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000052273020 177349666 /nfs/dbraw/zinc/34/96/66/177349666.db2.gz MMQFQGQMIHBUQH-WFASDCNBSA-N 0 3 241.338 2.429 10 0 BEAEHN C[C@@H](N)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000022178089 177377077 /nfs/dbraw/zinc/37/70/77/177377077.db2.gz HNLCRFUWFYNICK-IQJOONFLSA-N 0 3 218.300 2.301 10 0 BEAEHN C[C@H]1C[C@H]1CN(C)[C@@H](CN)c1ccccc1F ZINC000104428410 177379536 /nfs/dbraw/zinc/37/95/36/177379536.db2.gz XLUXKQHBEPTBAB-MJVIPROJSA-N 0 3 236.334 2.413 10 0 BEAEHN C[C@H]1C[C@H]1NCC1=Cc2ccccc2OC1 ZINC000105437105 177385326 /nfs/dbraw/zinc/38/53/26/177385326.db2.gz XMOMPUVJHGXNEG-GXFFZTMASA-N 0 3 215.296 2.460 10 0 BEAEHN C[C@H]1C[C@H]1NCc1nccn1-c1ccccc1 ZINC000190952141 177386375 /nfs/dbraw/zinc/38/63/75/177386375.db2.gz JGUKRVQZKVZLJO-WCQYABFASA-N 0 3 227.311 2.370 10 0 BEAEHN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2CCN(C)C2)o1 ZINC000042543990 177387500 /nfs/dbraw/zinc/38/75/00/177387500.db2.gz GGTYLLIEZDTAMZ-DMDPSCGWSA-N 0 3 234.343 2.197 10 0 BEAEHN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCCN1 ZINC000019426696 177389640 /nfs/dbraw/zinc/38/96/40/177389640.db2.gz IYTBDYNESDWFOW-AAEUAGOBSA-N 0 3 244.338 2.106 10 0 BEAEHN NCc1cc2cc[nH]c2cc1Br ZINC000082360982 417338037 /nfs/dbraw/zinc/33/80/37/417338037.db2.gz YHVYHRSGUQORLG-UHFFFAOYSA-N 0 3 225.089 2.389 10 0 BEAEHN CCN(Cc1ccoc1)CC1(O)CCC1 ZINC000675131393 487672701 /nfs/dbraw/zinc/67/27/01/487672701.db2.gz JRVVLQSMVVJSCR-UHFFFAOYSA-N 0 3 209.289 2.017 10 0 BEAEHN CN(Cc1cccnc1)C[C@H]1CCC[C@H](O)C1 ZINC000383923940 487681125 /nfs/dbraw/zinc/68/11/25/487681125.db2.gz RKJQZNPOIVSSAI-JSGCOSHPSA-N 0 3 234.343 2.065 10 0 BEAEHN CCC1CCC(NC(=O)CNC(C)C)CC1 ZINC000042581978 487760983 /nfs/dbraw/zinc/76/09/83/487760983.db2.gz HFXVJAAGIGCHPF-UHFFFAOYSA-N 0 3 226.364 2.069 10 0 BEAEHN CCc1ccc(CN[C@H]2CCC[C@@H](O)C2)o1 ZINC000051724155 487783965 /nfs/dbraw/zinc/78/39/65/487783965.db2.gz APRVYTLTCHIPMU-WDEREUQCSA-N 0 3 223.316 2.235 10 0 BEAEHN CCC[C@H](N)C(=O)N(CC)c1ccccc1C ZINC000223761283 487793194 /nfs/dbraw/zinc/79/31/94/487793194.db2.gz ZVRJAZMJDWGXCQ-LBPRGKRZSA-N 0 3 234.343 2.475 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2c1cccc2C ZINC000153951770 487843252 /nfs/dbraw/zinc/84/32/52/487843252.db2.gz QUYBRACNLQGEKC-QMTHXVAHSA-N 0 3 246.354 2.258 10 0 BEAEHN CCCCCCNC(=O)[C@H](CCC)N(C)C ZINC000161408580 632002932 /nfs/dbraw/zinc/00/29/32/632002932.db2.gz BBUBTPFMGDAWEC-LBPRGKRZSA-N 0 3 228.380 2.413 10 0 BEAEHN CC[C@@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC000125206244 323000809 /nfs/dbraw/zinc/00/08/09/323000809.db2.gz DSWWNBZPLUSTKY-LLVKDONJSA-N 0 3 226.364 2.023 10 0 BEAEHN CCN1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC000394739161 323096852 /nfs/dbraw/zinc/09/68/52/323096852.db2.gz WNFFLYZFIAFCFR-LLVKDONJSA-N 0 3 239.388 2.025 10 0 BEAEHN C[C@H]1CC(C)(C)C[C@](N)(c2ncc[nH]2)C1 ZINC000521402110 323201149 /nfs/dbraw/zinc/20/11/49/323201149.db2.gz VLQQUOXDKUDNEY-CABZTGNLSA-N 0 3 207.321 2.410 10 0 BEAEHN CCC[C@H](C)N(C)CC(=O)NC(C)(C)C ZINC000042147509 323243924 /nfs/dbraw/zinc/24/39/24/323243924.db2.gz JKYVXPXEMNMAMT-JTQLQIEISA-N 0 3 214.353 2.022 10 0 BEAEHN N[C@@]1(c2c(Cl)cccc2Cl)C[C@@H](O)C1 ZINC000536961002 323974079 /nfs/dbraw/zinc/97/40/79/323974079.db2.gz UPVUOGNZUULGEZ-XGAOUMNUSA-N 0 3 232.110 2.302 10 0 BEAEHN CCC[C@@H](C(=O)NCC1(C)CCC1)N(C)C ZINC000133885626 325326744 /nfs/dbraw/zinc/32/67/44/325326744.db2.gz RSMSRFSMMIDVHZ-NSHDSACASA-N 0 3 226.364 2.023 10 0 BEAEHN Cc1ccc(CN[C@H]2CCCC[C@H]2CO)nc1 ZINC000134349603 325354881 /nfs/dbraw/zinc/35/48/81/325354881.db2.gz XDCOLQGWTCPNMU-JSGCOSHPSA-N 0 3 234.343 2.031 10 0 BEAEHN CC[C@@H](NCc1ncnn1C(C)C)C(C)C ZINC000083977873 487979262 /nfs/dbraw/zinc/97/92/62/487979262.db2.gz LVDYBSSWZCBLQB-LLVKDONJSA-N 0 3 224.352 2.383 10 0 BEAEHN CC(C)CCN(C)C(=O)[C@]1(C)CCCCN1 ZINC000159565713 488062062 /nfs/dbraw/zinc/06/20/62/488062062.db2.gz AJOKPBDDKFUYCL-ZDUSSCGKSA-N 0 3 226.364 2.023 10 0 BEAEHN CC(C)(C)[C@H](CO)NCc1n[nH]c2ccccc12 ZINC000683723835 488213040 /nfs/dbraw/zinc/21/30/40/488213040.db2.gz ICNNFTGBJJYTLI-ZDUSSCGKSA-N 0 3 247.342 2.060 10 0 BEAEHN CC(C)(C)[C@H](CO)NCc1[nH]nc2ccccc21 ZINC000683723835 488213044 /nfs/dbraw/zinc/21/30/44/488213044.db2.gz ICNNFTGBJJYTLI-ZDUSSCGKSA-N 0 3 247.342 2.060 10 0 BEAEHN CC(C)NCC(=O)Nc1nc(C(C)C)cs1 ZINC000049237326 488277056 /nfs/dbraw/zinc/27/70/56/488277056.db2.gz XGPXWFBDVJZGFU-UHFFFAOYSA-N 0 3 241.360 2.203 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000037163972 490146031 /nfs/dbraw/zinc/14/60/31/490146031.db2.gz QYCFDFKNLCAOQB-VXGBXAGGSA-N 0 3 241.281 2.358 10 0 BEAEHN Fc1cc2c(cc1Br)CCNC2 ZINC000216460976 490392462 /nfs/dbraw/zinc/39/24/62/490392462.db2.gz ARASSUFLYYKDGN-UHFFFAOYSA-N 0 3 230.080 2.234 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccccn1 ZINC000217637608 490476907 /nfs/dbraw/zinc/47/69/07/490476907.db2.gz YFLUNZHRXGGYBV-SDDRHHMPSA-N 0 3 220.316 2.036 10 0 BEAEHN OCC1(NCc2ccc(C(F)F)cc2)CC1 ZINC000126344677 490491512 /nfs/dbraw/zinc/49/15/12/490491512.db2.gz MNOZEEJCYXHXGN-UHFFFAOYSA-N 0 3 227.254 2.239 10 0 BEAEHN CC(C)[C@H]1CCCCN1Cc1cncnc1 ZINC000126987716 490531589 /nfs/dbraw/zinc/53/15/89/490531589.db2.gz PSXAZVALELCYQX-CYBMUJFWSA-N 0 3 219.332 2.487 10 0 BEAEHN N[C@@H]1c2c(Cl)cc(Cl)cc2CC[C@H]1O ZINC000039941507 491110666 /nfs/dbraw/zinc/11/06/66/491110666.db2.gz QASZXAAVJFJJSX-SCZZXKLOSA-N 0 3 232.110 2.300 10 0 BEAEHN Cc1cc([C@@H](C)NCCc2nc(C)no2)c(C)o1 ZINC000219284142 491132900 /nfs/dbraw/zinc/13/29/00/491132900.db2.gz KDEMAPFKLJKXGA-SECBINFHSA-N 0 3 249.314 2.481 10 0 BEAEHN Cc1cc([C@H](C)NCCc2nc(C)no2)c(C)o1 ZINC000219284679 491132906 /nfs/dbraw/zinc/13/29/06/491132906.db2.gz KDEMAPFKLJKXGA-VIFPVBQESA-N 0 3 249.314 2.481 10 0 BEAEHN CCN1C[C@@H](C)[C@@H](Nc2ncc(C)s2)C1 ZINC000309030408 491142617 /nfs/dbraw/zinc/14/26/17/491142617.db2.gz DHIZXVZRYWDFJG-SCZZXKLOSA-N 0 3 225.361 2.204 10 0 BEAEHN CC(C)[C@@H]1O[C@]2(COC(C)(C)C2)NCC12CC2 ZINC000757141239 582521616 /nfs/dbraw/zinc/52/16/16/582521616.db2.gz JJFDEMSLZHTIBY-SMDDNHRTSA-N 0 3 239.359 2.306 10 0 BEAEHN CCC1(CC)CN[C@]2(CCSC2)OC1 ZINC000757145723 582528641 /nfs/dbraw/zinc/52/86/41/582528641.db2.gz IJMJDGKUUIHLJI-LLVKDONJSA-N 0 3 215.362 2.246 10 0 BEAEHN CC[C@H]([NH3+])c1ccc([O-])c2ccncc21 ZINC000757146832 582530304 /nfs/dbraw/zinc/53/03/04/582530304.db2.gz VPZSUCUYFRIASU-NSHDSACASA-N 0 3 202.257 2.350 10 0 BEAEHN CC1(C)CCNC2(CC(CF)(CF)C2)O1 ZINC000757153658 582538169 /nfs/dbraw/zinc/53/81/69/582538169.db2.gz YNZKRPZCTJPSET-UHFFFAOYSA-N 0 3 219.275 2.190 10 0 BEAEHN C1CC2(C1)CCN[C@@]1(CCCSC1)O2 ZINC000757153557 582538190 /nfs/dbraw/zinc/53/81/90/582538190.db2.gz XOFZFVCQTFNLSS-NSHDSACASA-N 0 3 213.346 2.142 10 0 BEAEHN C[C@H]1CC(C)(C)O[C@]2(COC(C)(C)C2)N1 ZINC000757154258 582539075 /nfs/dbraw/zinc/53/90/75/582539075.db2.gz ZQIVZGSPZXDTCQ-JOYOIKCWSA-N 0 3 213.321 2.059 10 0 BEAEHN Cc1ccc(Nc2nc(=NN)c(C)c(C)[nH]2)cc1 ZINC000057331507 525324409 /nfs/dbraw/zinc/32/44/09/525324409.db2.gz CAPORBLETOCUDK-UHFFFAOYSA-N 0 3 243.314 2.431 10 0 BEAEHN Cc1ccc(Nc2nc(C)c(C)c(NN)n2)cc1 ZINC000057331507 525324420 /nfs/dbraw/zinc/32/44/20/525324420.db2.gz CAPORBLETOCUDK-UHFFFAOYSA-N 0 3 243.314 2.431 10 0 BEAEHN CNCc1cc(N2CCC(C)CC2)ccn1 ZINC000051399041 536469164 /nfs/dbraw/zinc/46/91/64/536469164.db2.gz ODRIAHMDPGNBBO-UHFFFAOYSA-N 0 3 219.332 2.037 10 0 BEAEHN CNCc1cccnc1N1CCCC[C@@H]1C ZINC000051399345 536470355 /nfs/dbraw/zinc/47/03/55/536470355.db2.gz CXVGFXYYMWILHK-NSHDSACASA-N 0 3 219.332 2.180 10 0 BEAEHN CC1(C)[C@H](NCc2cncs2)[C@H]2CCO[C@H]21 ZINC000227977558 535075016 /nfs/dbraw/zinc/07/50/16/535075016.db2.gz SUAROUUWDFNPMV-GMTAPVOTSA-N 0 3 238.356 2.046 10 0 BEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C ZINC000175835891 535165387 /nfs/dbraw/zinc/16/53/87/535165387.db2.gz XAUPVQSSBDJAAR-QWHCGFSZSA-N 0 3 238.375 2.260 10 0 BEAEHN CC(C)[C@@H](N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395349 535226157 /nfs/dbraw/zinc/22/61/57/535226157.db2.gz JZPXWTBERVMVTH-ZIAGYGMSSA-N 0 3 246.354 2.252 10 0 BEAEHN CCN1CCC[C@@H](N[C@H](C)c2ccco2)C1 ZINC000249614944 535541647 /nfs/dbraw/zinc/54/16/47/535541647.db2.gz TYSUAUATUFGURP-VXGBXAGGSA-N 0 3 222.332 2.415 10 0 BEAEHN CC[C@@H]1CNCCN1c1cccc(F)c1F ZINC000035785000 535825295 /nfs/dbraw/zinc/82/52/95/535825295.db2.gz VMOCESUGFYLALB-SECBINFHSA-N 0 3 226.270 2.153 10 0 BEAEHN CCc1cccc(N2CCN[C@@H](C)C2)c1 ZINC000016944706 535892823 /nfs/dbraw/zinc/89/28/23/535892823.db2.gz DBWKTAJLPVRTQP-NSHDSACASA-N 0 3 204.317 2.047 10 0 BEAEHN CC[C@H]1CCC[C@@H]1NCc1nnc(C)n1CC ZINC000348171733 536075921 /nfs/dbraw/zinc/07/59/21/536075921.db2.gz VQOHJZVOJILSRT-RYUDHWBXSA-N 0 3 236.363 2.275 10 0 BEAEHN CCc1ccc(N2CCN[C@H](C)C2)cc1 ZINC000016944718 536184961 /nfs/dbraw/zinc/18/49/61/536184961.db2.gz VLSBBWDTQXQXNQ-LLVKDONJSA-N 0 3 204.317 2.047 10 0 BEAEHN C[C@H]1C[C@@]2(CCN1C)NCCc1sccc12 ZINC000397268322 583099705 /nfs/dbraw/zinc/09/97/05/583099705.db2.gz CFHKSBXMPGRABL-GXFFZTMASA-N 0 3 236.384 2.203 10 0 BEAEHN Cc1cccc(CCNc2cc(C)nc(N)n2)c1 ZINC000111249318 588737068 /nfs/dbraw/zinc/73/70/68/588737068.db2.gz ZXENVKKBKKVBHT-UHFFFAOYSA-N 0 3 242.326 2.330 10 0 BEAEHN CNCc1sc(C(=O)C2CCC2)nc1C ZINC000757125660 582499867 /nfs/dbraw/zinc/49/98/67/582499867.db2.gz SDXZZYVKHHIJCY-UHFFFAOYSA-N 0 3 224.329 2.154 10 0 BEAEHN CNCc1sc(C(=O)CC(C)C)nc1C ZINC000757127283 582502100 /nfs/dbraw/zinc/50/21/00/582502100.db2.gz YIJRBBCDBMCDHN-UHFFFAOYSA-N 0 3 226.345 2.400 10 0 BEAEHN FC(F)(F)CN1CCC[C@@]12CN1CCC2CC1 ZINC000757132582 582507949 /nfs/dbraw/zinc/50/79/49/582507949.db2.gz RLPDQCLWOFYAQC-NSHDSACASA-N 0 3 248.292 2.109 10 0 BEAEHN FCC1(CF)CC2(C1)NCC[C@@H](C(F)F)O2 ZINC000757139175 582519448 /nfs/dbraw/zinc/51/94/48/582519448.db2.gz GBXJNWCMMTTWAC-ZETCQYMHSA-N 0 3 241.228 2.046 10 0 BEAEHN CC(C)[C@@H]1N[C@@]2(CCCOC2)OCC1(C)C ZINC000757140805 582520711 /nfs/dbraw/zinc/52/07/11/582520711.db2.gz CARVZMJNGDFECI-AAEUAGOBSA-N 0 3 227.348 2.164 10 0 BEAEHN c1ccc([C@@H]2CCOC3(CCOCC3)N2)cc1 ZINC000757143049 582523286 /nfs/dbraw/zinc/52/32/86/582523286.db2.gz VAFZKFYRTSRKEE-ZDUSSCGKSA-N 0 3 233.311 2.244 10 0 BEAEHN CC(C)(C)[C@@H]1CN[C@]2(CCCSC2)OC1 ZINC000757152405 582536724 /nfs/dbraw/zinc/53/67/24/582536724.db2.gz RZXWORYEFQFPGW-ZYHUDNBSSA-N 0 3 229.389 2.492 10 0 BEAEHN CC(C)[C@@H]1O[C@]2(CCCOC2)NCC1(C)C ZINC000757152606 582537552 /nfs/dbraw/zinc/53/75/52/582537552.db2.gz SYCLMLJFRRCWFL-AAEUAGOBSA-N 0 3 227.348 2.164 10 0 BEAEHN C[C@@H]1O[C@]2(CCCSC2)NCC1(C)C ZINC000757153528 582538354 /nfs/dbraw/zinc/53/83/54/582538354.db2.gz XEXVTGXWDPFJOA-ONGXEEELSA-N 0 3 215.362 2.244 10 0 BEAEHN CN[C@H](C)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757157492 582540253 /nfs/dbraw/zinc/54/02/53/582540253.db2.gz LWYZXENMIFIETO-SECBINFHSA-N 0 3 225.719 2.368 10 0 BEAEHN O=C1CCCN1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114445499 588874636 /nfs/dbraw/zinc/87/46/36/588874636.db2.gz XGVSQDGLILXVKI-HNNXBMFYSA-N 0 3 248.370 2.389 10 0 BEAEHN C[C@@H]1C[C@]2(CCO1)NCCc1sccc12 ZINC000397127302 583097240 /nfs/dbraw/zinc/09/72/40/583097240.db2.gz CIWWESKFAGSEGM-SKDRFNHKSA-N 0 3 223.341 2.288 10 0 BEAEHN C[C@@H]1C[C@@]2(CCO1)NCCc1sccc12 ZINC000397127293 583097253 /nfs/dbraw/zinc/09/72/53/583097253.db2.gz CIWWESKFAGSEGM-BXKDBHETSA-N 0 3 223.341 2.288 10 0 BEAEHN C[C@@H]1CC[C@H](N)[C@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183299 586433470 /nfs/dbraw/zinc/43/34/70/586433470.db2.gz NMQANSDCKSXIPH-PTRXPTGYSA-N 0 3 231.311 2.184 10 0 BEAEHN CCOC(=O)[C@@H]1CC[C@@H](c2ccsc2)NC1 ZINC000757219360 586442213 /nfs/dbraw/zinc/44/22/13/586442213.db2.gz YETYJJCYMAYTKL-KOLCDFICSA-N 0 3 239.340 2.352 10 0 BEAEHN Cc1cc(CNC[C@@H]2CCCN2C)c(C)o1 ZINC000119233225 589252243 /nfs/dbraw/zinc/25/22/43/589252243.db2.gz BANBFKWMQVXGNK-ZDUSSCGKSA-N 0 3 222.332 2.080 10 0 BEAEHN Cc1cc(CNC[C@H]2CCC[C@@H]2O)c(C)o1 ZINC000121059737 589492140 /nfs/dbraw/zinc/49/21/40/589492140.db2.gz XKTKPJNTZCVYIC-YPMHNXCESA-N 0 3 223.316 2.147 10 0 BEAEHN COc1c(CNCCC2CCC2)c(C)nn1C ZINC000122996705 589647979 /nfs/dbraw/zinc/64/79/79/589647979.db2.gz ZGEVIVBBMBRFTK-UHFFFAOYSA-N 0 3 237.347 2.017 10 0 BEAEHN CCc1cc(CN[C@@H]2CCCSC2)on1 ZINC000128291099 590965488 /nfs/dbraw/zinc/96/54/88/590965488.db2.gz HYFCOIAURDQDJU-SNVBAGLBSA-N 0 3 226.345 2.222 10 0 BEAEHN CCSCCN1CCC[C@@H](C(C)=O)C1 ZINC000129173875 591267111 /nfs/dbraw/zinc/26/71/11/591267111.db2.gz YHIPZSMDNLVPNB-LLVKDONJSA-N 0 3 215.362 2.041 10 0 BEAEHN Cc1cc([O-])c(Br)cc1[C@H](C)[NH3+] ZINC000212233081 591329264 /nfs/dbraw/zinc/32/92/64/591329264.db2.gz HEJWTBOIEYGQJY-LURJTMIESA-N 0 3 230.105 2.483 10 0 BEAEHN O[C@H](CN[C@@H]1CCc2c1cccc2F)C1CC1 ZINC000214665428 591701622 /nfs/dbraw/zinc/70/16/22/591701622.db2.gz YHPZSABRPMSIBK-ZIAGYGMSSA-N 0 3 235.302 2.174 10 0 BEAEHN CCC1(CC)[C@H](N(C)CCC(C)=O)C[C@@H]1OC ZINC000133434446 591791381 /nfs/dbraw/zinc/79/13/81/591791381.db2.gz IQMAZMXZEPTFDA-OLZOCXBDSA-N 0 3 241.375 2.491 10 0 BEAEHN Clc1ccc2c(c1)C[C@@H](NCc1cn[nH]c1)C2 ZINC000134848962 591953480 /nfs/dbraw/zinc/95/34/80/591953480.db2.gz KWCXBQRFPXOHQR-ZDUSSCGKSA-N 0 3 247.729 2.320 10 0 BEAEHN CO[C@@H]1CCC[C@@H]1NCc1cnccc1C ZINC000135458270 592013477 /nfs/dbraw/zinc/01/34/77/592013477.db2.gz WXWDCELNKFPXSL-QWHCGFSZSA-N 0 3 220.316 2.047 10 0 BEAEHN CC[C@@H]1C[C@H](N[C@@H](C)c2ncc[nH]2)CCO1 ZINC000124663450 634431425 /nfs/dbraw/zinc/43/14/25/634431425.db2.gz LCUYJZRGPRYDEU-HBNTYKKESA-N 0 3 223.320 2.018 10 0 BEAEHN C[C@H](O)[C@H](C)NCc1ccc(F)cc1Cl ZINC000309058026 631832764 /nfs/dbraw/zinc/83/27/64/631832764.db2.gz VGPZHLHMPZQXRM-YUMQZZPRSA-N 0 3 231.698 2.338 10 0 BEAEHN CO[C@H](C)[C@H](C)N[C@@H]1COc2ccccc21 ZINC000161576340 632092317 /nfs/dbraw/zinc/09/23/17/632092317.db2.gz VCBQMKGQLQOPPD-HOSYDEDBSA-N 0 3 221.300 2.133 10 0 BEAEHN COc1c(C)cnc(CN[C@H]2C[C@@H]2C)c1C ZINC000052287937 632116333 /nfs/dbraw/zinc/11/63/33/632116333.db2.gz YZLPGSCLBHHFTJ-KWQFWETISA-N 0 3 220.316 2.205 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccoc1 ZINC000162905785 635176348 /nfs/dbraw/zinc/17/63/48/635176348.db2.gz BVSANWJYIKVISR-GXTWGEPZSA-N 0 3 234.343 2.338 10 0 BEAEHN CC(C)c1ncc(CN[C@H](C)[C@H](C)O)s1 ZINC000336772863 635288560 /nfs/dbraw/zinc/28/85/60/635288560.db2.gz YKVZYOQFZGKTMB-BDAKNGLRSA-N 0 3 228.361 2.125 10 0 BEAEHN COC(=O)C[C@H](N)c1cccc(Cl)c1F ZINC000095638499 636885560 /nfs/dbraw/zinc/88/55/60/636885560.db2.gz ZINRNMSTBOUEOE-QMMMGPOBSA-N 0 3 231.654 2.042 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)nc1 ZINC000149154434 638164448 /nfs/dbraw/zinc/16/44/48/638164448.db2.gz VFUAOPSEKDONSA-OIBJUYFYSA-N 0 3 241.722 2.047 10 0 BEAEHN COc1ccc([C@H](C)N[C@@H](C)[C@H](C)O)c(F)c1 ZINC000348310548 638998269 /nfs/dbraw/zinc/99/82/69/638998269.db2.gz CGSVYWCEVLVNOJ-GUBZILKMSA-N 0 3 241.306 2.254 10 0 BEAEHN CCC[C@](C)(N)c1nc(C(C)(C)C)nn1C ZINC000054698540 640711011 /nfs/dbraw/zinc/71/10/11/640711011.db2.gz PBKSGSHKZDOVLA-LBPRGKRZSA-N 0 3 224.352 2.087 10 0 BEAEHN C1CN[C@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000087699716 640977899 /nfs/dbraw/zinc/97/78/99/640977899.db2.gz AWCMYEPLEOWLCP-YUMQZZPRSA-N 0 3 225.317 2.062 10 0 BEAEHN Cc1ccc([C@@H](C)NC[C@H]2COC(C)(C)O2)o1 ZINC000230203215 641037287 /nfs/dbraw/zinc/03/72/87/641037287.db2.gz SDIQTTDHLSMAMX-MNOVXSKESA-N 0 3 239.315 2.390 10 0 BEAEHN c1cc2c(s1)[C@@H](c1cccnc1)NCC2 ZINC000084483331 641358489 /nfs/dbraw/zinc/35/84/89/641358489.db2.gz BHMPREZFTBOBBR-LLVKDONJSA-N 0 3 216.309 2.378 10 0 BEAEHN Cc1ccc(CN(C)c2ccnc(CO)c2)o1 ZINC000040877768 641539246 /nfs/dbraw/zinc/53/92/46/641539246.db2.gz VQXBPNCKVPSUBV-UHFFFAOYSA-N 0 3 232.283 2.112 10 0 BEAEHN Cc1cc(N[C@H]2CCCC[C@@H]2C)nc(N)n1 ZINC000043532286 641565742 /nfs/dbraw/zinc/56/57/42/641565742.db2.gz HDYAUZPFJDOXNF-WPRPVWTQSA-N 0 3 220.320 2.358 10 0 BEAEHN c1ccc(C[C@@H]2CCO[C@]3(CCSC3)N2)cc1 ZINC000757149077 643334151 /nfs/dbraw/zinc/33/41/51/643334151.db2.gz OOIYJYFOELXNAJ-KBPBESRZSA-N 0 3 249.379 2.441 10 0 BEAEHN CCCCOCCN1CCC[C@@H](C(C)=O)C1 ZINC000082644572 643360513 /nfs/dbraw/zinc/36/05/13/643360513.db2.gz PTJGNCLFEBBCPY-CYBMUJFWSA-N 0 3 227.348 2.104 10 0 BEAEHN COc1c(C)cnc(CN[C@@H]2C[C@H]2C)c1C ZINC000052287940 643646934 /nfs/dbraw/zinc/64/69/34/643646934.db2.gz YZLPGSCLBHHFTJ-LDYMZIIASA-N 0 3 220.316 2.205 10 0 BEAEHN CCCNCc1nc(CN(C)C(C)C)cs1 ZINC000052419454 644536734 /nfs/dbraw/zinc/53/67/34/644536734.db2.gz AWIBIPXNEAAZAA-UHFFFAOYSA-N 0 3 241.404 2.483 10 0 BEAEHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1cccs1 ZINC000304383787 644898736 /nfs/dbraw/zinc/89/87/36/644898736.db2.gz RIGSJVNDWUYKBH-WCBMZHEXSA-N 0 3 238.356 2.053 10 0 BEAEHN CC[C@H]([NH2+][C@H](C)c1nnc(C)[n-]1)[C@@H]1C[C@@H]1C ZINC000321925883 712080713 /nfs/dbraw/zinc/08/07/13/712080713.db2.gz RTYYAHKQUHHGRL-URPMGSGRSA-N 0 3 222.336 2.198 10 0 BEAEHN COc1cccc(CNC2CC(SC)C2)n1 ZINC000708289765 712185358 /nfs/dbraw/zinc/18/53/58/712185358.db2.gz UHBFREWWYKGYTR-UHFFFAOYSA-N 0 3 238.356 2.074 10 0 BEAEHN COCC1CC(N[C@@H](C)c2nccs2)C1 ZINC000714005454 712476969 /nfs/dbraw/zinc/47/69/69/712476969.db2.gz BIVPWBILWXVFNN-IDKOKCKLSA-N 0 3 226.345 2.219 10 0 BEAEHN C[C@H](CC1CCCC1)N[C@H](C)c1cn(C)nn1 ZINC000715874232 712538096 /nfs/dbraw/zinc/53/80/96/712538096.db2.gz DWMDEXUOLXPVAD-GHMZBOCLSA-N 0 3 236.363 2.435 10 0 BEAEHN Cc1cnc(CNC[C@H]2CCC=CO2)c(C)c1 ZINC000724033391 711556727 /nfs/dbraw/zinc/55/67/27/711556727.db2.gz JGLXPGHIICLONE-CYBMUJFWSA-N 0 3 232.327 2.481 10 0 BEAEHN CC[C@@H]1C[C@H](NCc2ncc(C)cc2C)CO1 ZINC000724098708 711560361 /nfs/dbraw/zinc/56/03/61/711560361.db2.gz UMAPZKOACBITCS-QWHCGFSZSA-N 0 3 234.343 2.356 10 0 BEAEHN CSC1CC(N[C@H](C)c2cnccn2)C1 ZINC000708243288 712185016 /nfs/dbraw/zinc/18/50/16/712185016.db2.gz LRAXBEPACLXFNY-XNWIYYODSA-N 0 3 223.345 2.021 10 0 BEAEHN COC1(OC)CC[C@H]1N[C@H]1CCc2ccccc21 ZINC000710991666 712273216 /nfs/dbraw/zinc/27/32/16/712273216.db2.gz ZKHOFCYCXFGZPM-UONOGXRCSA-N 0 3 247.338 2.415 10 0 BEAEHN CC(C)[C@@H](C)NCc1nccn1C1CC1 ZINC000711782819 712329699 /nfs/dbraw/zinc/32/96/99/712329699.db2.gz HJZVEXVWJQDEQT-SNVBAGLBSA-N 0 3 207.321 2.352 10 0 BEAEHN CCCC[C@H](C)N[C@H](C)c1cn(C)nn1 ZINC000715841225 712533018 /nfs/dbraw/zinc/53/30/18/712533018.db2.gz HVSUKOPBLYORNP-VHSXEESVSA-N 0 3 210.325 2.044 10 0 BEAEHN CC(=O)CCN(C)Cc1ccc(C)cc1 ZINC000047979736 712722930 /nfs/dbraw/zinc/72/29/30/712722930.db2.gz YJLAJEVEMNEEKM-UHFFFAOYSA-N 0 3 205.301 2.406 10 0 BEAEHN CC1=C[C@H](C)C[C@H](CN[C@@H](C)c2cn(C)nn2)C1 ZINC000720603416 712857874 /nfs/dbraw/zinc/85/78/74/712857874.db2.gz QFTNRKITQYKWRX-DRZSPHRISA-N 0 3 248.374 2.458 10 0 BEAEHN CCC(CC)CN(CC)CN1CCOC1=S ZINC000123902217 960581423 /nfs/dbraw/zinc/58/14/23/960581423.db2.gz HMXASWPGSAUVKX-UHFFFAOYSA-N 0 3 244.404 2.319 10 0 BEAEHN C[C@@H](N)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962724 538909529 /nfs/dbraw/zinc/90/95/29/538909529.db2.gz RKJNCTHFOIQXTG-NWDGAFQWSA-N 0 3 235.327 2.146 10 0 BEAEHN N[C@@H]1c2ccccc2[C@@H]2CCCC[C@H]2[C@@H]1O ZINC000309057651 349439345 /nfs/dbraw/zinc/43/93/45/349439345.db2.gz FJULULWKKOSKMQ-ASEORRQLSA-N 0 3 217.312 2.335 10 0 BEAEHN C[C@@H]1CN(c2cc(F)ccc2Cl)CCN1 ZINC000083356424 132452765 /nfs/dbraw/zinc/45/27/65/132452765.db2.gz RSLCSEZIOLLJQJ-MRVPVSSYSA-N 0 3 228.698 2.277 10 0 BEAEHN C=C(OCC)c1cncc([C@@H](C)NC)c1 ZINC000685965187 538911320 /nfs/dbraw/zinc/91/13/20/538911320.db2.gz SHCXPBDBWWOVPG-SECBINFHSA-N 0 3 206.289 2.369 10 0 BEAEHN CCn1nc(-c2ccccc2)cc1CN ZINC000213483182 349486441 /nfs/dbraw/zinc/48/64/41/349486441.db2.gz YQGBHJLGNJJRCQ-UHFFFAOYSA-N 0 3 201.273 2.029 10 0 BEAEHN CNC[C@H](F)Cc1ccc(Cl)cc1 ZINC000257875007 349487497 /nfs/dbraw/zinc/48/74/97/349487497.db2.gz RAEMJKNUGSFVDC-SNVBAGLBSA-N 0 3 201.672 2.440 10 0 BEAEHN Cc1cc(CN[C@@H](C)CO)ccc1OC(C)C ZINC000098126318 178028878 /nfs/dbraw/zinc/02/88/78/178028878.db2.gz QZSOZKBRTJFMDY-LBPRGKRZSA-N 0 3 237.343 2.253 10 0 BEAEHN Cc1cc(CN[C@H]2CCC[C@H]2O)cs1 ZINC000294083594 178040347 /nfs/dbraw/zinc/04/03/47/178040347.db2.gz ALWJXWJGJUWCQI-WDEREUQCSA-N 0 3 211.330 2.060 10 0 BEAEHN F[C@@H](c1cncs1)[C@H]1CCCCN1 ZINC000575517671 398178084 /nfs/dbraw/zinc/17/80/84/398178084.db2.gz GXHUGBBDYZAZLS-VXNVDRBHSA-N 0 3 200.282 2.296 10 0 BEAEHN Cc1cc(F)ccc1CN1CC[C@H](CCO)C1 ZINC000128036700 178085101 /nfs/dbraw/zinc/08/51/01/178085101.db2.gz REKKCLGFYNEYGK-GFCCVEGCSA-N 0 3 237.318 2.338 10 0 BEAEHN Cc1cc(N)ccc1N[C@@H]1CCCN(C)C1 ZINC000040715752 178106418 /nfs/dbraw/zinc/10/64/18/178106418.db2.gz ATOGJYHWTNXAAA-GFCCVEGCSA-N 0 3 219.332 2.083 10 0 BEAEHN CO[C@@H](C(C)C)[C@@H]1NC(C)(C)CS1 ZINC000306788998 398200840 /nfs/dbraw/zinc/20/08/40/398200840.db2.gz SQTYLPSVRYCMJE-DTWKUNHWSA-N 0 3 203.351 2.099 10 0 BEAEHN Cc1nc(CNC[C@@H](O)C(C)(C)C)sc1C ZINC000324392876 398202517 /nfs/dbraw/zinc/20/25/17/398202517.db2.gz ZGRDPSDUWWIXKI-SNVBAGLBSA-N 0 3 242.388 2.257 10 0 BEAEHN Brc1ccc(C=C2CNC2)o1 ZINC000306641379 361753887 /nfs/dbraw/zinc/75/38/87/361753887.db2.gz QQAPFWDIGGGCTA-UHFFFAOYSA-N 0 3 214.062 2.029 10 0 BEAEHN Cc1cc([C@@H](C)N[C@@H](C)C(C)C)nn1C ZINC000282176990 178229486 /nfs/dbraw/zinc/22/94/86/178229486.db2.gz MODHEAJYIRLDBN-WDEREUQCSA-N 0 3 209.337 2.424 10 0 BEAEHN Cc1cc([C@@H](CN)N(C)C2CC2)c(C)s1 ZINC000049687289 178235384 /nfs/dbraw/zinc/23/53/84/178235384.db2.gz DMWRESWPYPRFLM-GFCCVEGCSA-N 0 3 224.373 2.459 10 0 BEAEHN Cc1cc2c(cc1C)[C@@H](N[C@@H](C)CO)CCCO2 ZINC000127581442 178287729 /nfs/dbraw/zinc/28/77/29/178287729.db2.gz JDYQZNSXFZTJAT-JSGCOSHPSA-N 0 3 249.354 2.488 10 0 BEAEHN Cc1cc2c(cc1C)[S@@](=O)CCC[C@H]2N ZINC000040974998 178288067 /nfs/dbraw/zinc/28/80/67/178288067.db2.gz WONRZYBSIWCUNT-IAQYHMDHSA-N 0 3 223.341 2.205 10 0 BEAEHN Cc1ccc(-c2cccc(C(=N)N)n2)cc1 ZINC000071186715 178326535 /nfs/dbraw/zinc/32/65/35/178326535.db2.gz GWGFQSAUVFSBBC-UHFFFAOYSA-N 0 3 211.268 2.341 10 0 BEAEHN Cc1ccc(-c2nc(C)cc(CN)n2)cc1 ZINC000020388264 178333520 /nfs/dbraw/zinc/33/35/20/178333520.db2.gz VGYZUMDQUJFICX-UHFFFAOYSA-N 0 3 213.284 2.219 10 0 BEAEHN Cc1ccc(-n2cc(CN)cn2)cc1Cl ZINC000019481649 178346344 /nfs/dbraw/zinc/34/63/44/178346344.db2.gz FLGWBPIEKOWTAR-UHFFFAOYSA-N 0 3 221.691 2.293 10 0 BEAEHN Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000082284063 178396372 /nfs/dbraw/zinc/39/63/72/178396372.db2.gz CXUDIIQPQSZCBI-CQSZACIVSA-N 0 3 246.354 2.080 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1ccco1 ZINC000037165962 538961637 /nfs/dbraw/zinc/96/16/37/538961637.db2.gz QYLRZEGIXWRCLA-DCAQKATOSA-N 0 3 209.289 2.234 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1ccccn1 ZINC000037165119 538961728 /nfs/dbraw/zinc/96/17/28/538961728.db2.gz YFLUNZHRXGGYBV-TUAOUCFPSA-N 0 3 220.316 2.036 10 0 BEAEHN Nc1cc(CN2CCCCC2)cc2[nH]cnc21 ZINC000004343982 342746903 /nfs/dbraw/zinc/74/69/03/342746903.db2.gz SEKARZMERHWIHZ-UHFFFAOYSA-N 0 3 230.315 2.131 10 0 BEAEHN C[C@@H](NCC[C@@H]1CCCO1)c1ccco1 ZINC000038095479 538964600 /nfs/dbraw/zinc/96/46/00/538964600.db2.gz PVSPACSMLYIPEY-MNOVXSKESA-N 0 3 209.289 2.499 10 0 BEAEHN C[C@H](NCC[C@H]1CCCO1)c1ccco1 ZINC000038095480 538964735 /nfs/dbraw/zinc/96/47/35/538964735.db2.gz PVSPACSMLYIPEY-WDEREUQCSA-N 0 3 209.289 2.499 10 0 BEAEHN C[C@H](N)c1cnc(N2CCCCC2)s1 ZINC000054864390 398283897 /nfs/dbraw/zinc/28/38/97/398283897.db2.gz ZCFNOPGILYGZBA-QMMMGPOBSA-N 0 3 211.334 2.153 10 0 BEAEHN C[C@H](O)C1CCN(Cc2ccccc2)CC1 ZINC000005641387 342767781 /nfs/dbraw/zinc/76/77/81/342767781.db2.gz APLPFTYDMDHGAR-LBPRGKRZSA-N 0 3 219.328 2.279 10 0 BEAEHN N[C@H](CCC(F)(F)F)c1ccccn1 ZINC000070917647 361885382 /nfs/dbraw/zinc/88/53/82/361885382.db2.gz IRBRCLYCGMBJRH-SSDOTTSWSA-N 0 3 204.195 2.424 10 0 BEAEHN CCC(C)(CC)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000185519228 538970917 /nfs/dbraw/zinc/97/09/17/538970917.db2.gz KDIKBPJUVRWVTK-GFCCVEGCSA-N 0 3 238.375 2.119 10 0 BEAEHN CCN1CCN(C[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000336255223 342795095 /nfs/dbraw/zinc/79/50/95/342795095.db2.gz CGDOSHBKKLEQKC-VXGBXAGGSA-N 0 3 246.345 2.448 10 0 BEAEHN CCN1CCN(C[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000336255220 342795108 /nfs/dbraw/zinc/79/51/08/342795108.db2.gz CGDOSHBKKLEQKC-NEPJUHHUSA-N 0 3 246.345 2.448 10 0 BEAEHN CCN1C[C@H](Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000381466794 539001331 /nfs/dbraw/zinc/00/13/31/539001331.db2.gz MTOCUOPYIYLJQA-ONGXEEELSA-N 0 3 239.750 2.487 10 0 BEAEHN CN1CCC=C[C@H]1C[C@H](O)c1ccccc1 ZINC000138415678 342839210 /nfs/dbraw/zinc/83/92/10/342839210.db2.gz GWPTZCOGIWPPRH-KBPBESRZSA-N 0 3 217.312 2.370 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000192547740 538995608 /nfs/dbraw/zinc/99/56/08/538995608.db2.gz CSBNUAKHAAXIRB-WPRPVWTQSA-N 0 3 248.351 2.098 10 0 BEAEHN CCc1ccc([C@H](C)NC(=O)[C@H](N)CC)cc1 ZINC000037016594 398299575 /nfs/dbraw/zinc/29/95/75/398299575.db2.gz AYZXZRHELGLNJQ-GXFFZTMASA-N 0 3 234.343 2.164 10 0 BEAEHN NC1(c2sccc2Cl)CCOCC1 ZINC000229927345 342855659 /nfs/dbraw/zinc/85/56/59/342855659.db2.gz XDQUFZPBAWTRPG-UHFFFAOYSA-N 0 3 217.721 2.366 10 0 BEAEHN CC(C)[C@H]1CCC[C@](N)(c2ncc[nH]2)C1 ZINC000521401597 398305158 /nfs/dbraw/zinc/30/51/58/398305158.db2.gz LGWXCSHYQJEQSW-CMPLNLGQSA-N 0 3 207.321 2.410 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H](C)CC(N)=O)cc1F ZINC000132662701 398307966 /nfs/dbraw/zinc/30/79/66/398307966.db2.gz HIXOXOODJDHSJX-ZJUUUORDSA-N 0 3 238.306 2.049 10 0 BEAEHN N[C@@H](c1ncccc1Br)C1CC1 ZINC000134754950 342882503 /nfs/dbraw/zinc/88/25/03/342882503.db2.gz IMXZHLJEAVHAQC-MRVPVSSYSA-N 0 3 227.105 2.254 10 0 BEAEHN COC(=O)CCCN[C@H](C)c1cccs1 ZINC000035737045 342891401 /nfs/dbraw/zinc/89/14/01/342891401.db2.gz SYWXNFNMTRPZHM-SECBINFHSA-N 0 3 227.329 2.352 10 0 BEAEHN N[C@@H]1CCOc2ccc(C(F)(F)F)cc21 ZINC000016082997 342905820 /nfs/dbraw/zinc/90/58/20/342905820.db2.gz UPEDVFHMBQZINU-MRVPVSSYSA-N 0 3 217.190 2.488 10 0 BEAEHN CCc1nnc(CN[C@H]2CCCC[C@H]2C)n1C ZINC000162375686 349677032 /nfs/dbraw/zinc/67/70/32/349677032.db2.gz NUZCRLULROUBGL-MNOVXSKESA-N 0 3 236.363 2.046 10 0 BEAEHN CCc1nnc(CN[C@@H]2CCCC[C@H]2C)n1C ZINC000162375559 349677066 /nfs/dbraw/zinc/67/70/66/349677066.db2.gz NUZCRLULROUBGL-GHMZBOCLSA-N 0 3 236.363 2.046 10 0 BEAEHN CCc1nnc(CN[C@@H]2CCCC[C@@H]2C)n1C ZINC000162375314 349677249 /nfs/dbraw/zinc/67/72/49/349677249.db2.gz NUZCRLULROUBGL-WDEREUQCSA-N 0 3 236.363 2.046 10 0 BEAEHN Cc1nc([C@H](C)NCC2CC(O)C2)c(C)s1 ZINC000084446392 342986231 /nfs/dbraw/zinc/98/62/31/342986231.db2.gz IPBTYFSKKZEBQS-ARTQYDKTSA-N 0 3 240.372 2.181 10 0 BEAEHN CCOC(=O)C[C@H](N)c1ccc(Cl)c(F)c1 ZINC000043388706 343061533 /nfs/dbraw/zinc/06/15/33/343061533.db2.gz KVXLQQGXKDKPTI-JTQLQIEISA-N 0 3 245.681 2.432 10 0 BEAEHN CC[C@H](N)C(=O)Nc1ccsc1Cl ZINC000306664394 362021553 /nfs/dbraw/zinc/02/15/53/362021553.db2.gz RXXIBVZQEAYVGW-YFKPBYRVSA-N 0 3 218.709 2.077 10 0 BEAEHN CCCOc1ccc2ncc(N)c(N)c2c1 ZINC000584882202 343084146 /nfs/dbraw/zinc/08/41/46/343084146.db2.gz UHFDFVSWMNVYDK-UHFFFAOYSA-N 0 3 217.272 2.018 10 0 BEAEHN CCCOc1ccc2ncc(N)c(NC)c2c1 ZINC000584882627 343085105 /nfs/dbraw/zinc/08/51/05/343085105.db2.gz MHUUNHZMGUKPMI-UHFFFAOYSA-N 0 3 231.299 2.069 10 0 BEAEHN CCNc1c(N)cnc2ccc(OC(C)C)cc21 ZINC000584882536 343085218 /nfs/dbraw/zinc/08/52/18/343085218.db2.gz JQVDCPHVAYPBSB-UHFFFAOYSA-N 0 3 245.326 2.458 10 0 BEAEHN CSc1ccc(C)c(NC(=O)[C@@H](C)N)c1 ZINC000261549674 187234179 /nfs/dbraw/zinc/23/41/79/187234179.db2.gz OYYRZJPZRPDJIS-MRVPVSSYSA-N 0 3 224.329 2.003 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1cccc2ccncc21 ZINC000131153647 343182626 /nfs/dbraw/zinc/18/26/26/343182626.db2.gz LZXUXHGJKMOHEE-GFCCVEGCSA-N 0 3 243.310 2.301 10 0 BEAEHN C[C@H](CCNC1COC1)c1ccccc1 ZINC000082488685 136276595 /nfs/dbraw/zinc/27/65/95/136276595.db2.gz GFPXOHPDHDYZAR-LLVKDONJSA-N 0 3 205.301 2.169 10 0 BEAEHN CC(C)[C@H](N)C(=O)Nc1ccc(F)c(F)c1F ZINC000011959163 187250869 /nfs/dbraw/zinc/25/08/69/187250869.db2.gz ZQHQVGFYRBCLNP-JTQLQIEISA-N 0 3 246.232 2.026 10 0 BEAEHN Cc1c(CNC[C@H]2CCCCS2)cnn1C ZINC000087684291 136282314 /nfs/dbraw/zinc/28/23/14/136282314.db2.gz XZQILWUKUAPFTP-GFCCVEGCSA-N 0 3 239.388 2.104 10 0 BEAEHN COc1ccc([C@H](N)c2ccncc2)c(OC)c1 ZINC000011832592 187250492 /nfs/dbraw/zinc/25/04/92/187250492.db2.gz RPCSNYLFYCGIDC-CQSZACIVSA-N 0 3 244.294 2.147 10 0 BEAEHN CC[C@H](N[C@H](C)c1nncn1C)[C@@H]1CC1(C)C ZINC000397653104 262928736 /nfs/dbraw/zinc/92/87/36/262928736.db2.gz BBBYWYLLJUXIAM-VWYCJHECSA-N 0 3 236.363 2.290 10 0 BEAEHN CC(C)CO[C@@H]1COc2ccccc2[C@@H]1N ZINC000019267839 187251520 /nfs/dbraw/zinc/25/15/20/187251520.db2.gz UQTSJVORLBCQOH-OLZOCXBDSA-N 0 3 221.300 2.120 10 0 BEAEHN COC(=O)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC000036803978 343324401 /nfs/dbraw/zinc/32/44/01/343324401.db2.gz SVNHTXYQINJLML-MRVPVSSYSA-N 0 3 243.253 2.179 10 0 BEAEHN Cn1nc(-c2ccc(Cl)cc2)c2c1CCNC2 ZINC000028009053 187255756 /nfs/dbraw/zinc/25/57/56/187255756.db2.gz PKABKNYAOQJPHD-UHFFFAOYSA-N 0 3 247.729 2.386 10 0 BEAEHN NCc1ccccc1[C@@H](O)c1ccccc1 ZINC000039216967 187256036 /nfs/dbraw/zinc/25/60/36/187256036.db2.gz ORINBWURJJMNPP-AWEZNQCLSA-N 0 3 213.280 2.227 10 0 BEAEHN CO[C@@H]1CCN[C@H](c2ccc(F)cc2)C1 ZINC000201869817 343391788 /nfs/dbraw/zinc/39/17/88/343391788.db2.gz YPGXFZXEZBGZLM-NEPJUHHUSA-N 0 3 209.264 2.265 10 0 BEAEHN CC1(C)CN(C2CCC2)C[C@]2(CCCOC2)O1 ZINC000335738180 136350928 /nfs/dbraw/zinc/35/09/28/136350928.db2.gz KTNAYENNJCISGU-AWEZNQCLSA-N 0 3 239.359 2.199 10 0 BEAEHN CC(C)CN1C[C@H]2CCCCN2C[C@H]1C ZINC000082725346 343461093 /nfs/dbraw/zinc/46/10/93/343461093.db2.gz VBFKZBKDFGZFOU-CHWSQXEVSA-N 0 3 210.365 2.201 10 0 BEAEHN CN1CCCO[C@H](c2ccc(F)cc2)C1 ZINC000616650872 343530848 /nfs/dbraw/zinc/53/08/48/343530848.db2.gz IAJNNYFDADHSQB-LBPRGKRZSA-N 0 3 209.264 2.219 10 0 BEAEHN c1cc2ccc([C@H]3CCOCCN3)cc2cn1 ZINC000616657507 343532027 /nfs/dbraw/zinc/53/20/27/343532027.db2.gz DBBHNFWZVZBTNV-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN COc1cc(C(=N)NO)cc(C2CCCC2)n1 ZINC000167262968 343589611 /nfs/dbraw/zinc/58/96/11/343589611.db2.gz WVDHWXNFUGTCJB-UHFFFAOYSA-N 0 3 235.287 2.052 10 0 BEAEHN Cc1ncc([C@H]2NCCc3ccsc32)n1C ZINC000712523676 537789473 /nfs/dbraw/zinc/78/94/73/537789473.db2.gz PMJNMOWSTFJBBW-LLVKDONJSA-N 0 3 233.340 2.025 10 0 BEAEHN CC(=O)Nc1ccc(C(=O)[C@H](C)CN(C)C)cc1 ZINC000198480989 343671255 /nfs/dbraw/zinc/67/12/55/343671255.db2.gz UQYHQZCJEOICST-SNVBAGLBSA-N 0 3 248.326 2.025 10 0 BEAEHN Nc1cc(NCc2ccco2)nc(C2CC2)n1 ZINC000126884249 343786732 /nfs/dbraw/zinc/78/67/32/343786732.db2.gz YDLVSHUQCAEQOO-UHFFFAOYSA-N 0 3 230.271 2.141 10 0 BEAEHN C[C@@H](c1ccncc1)N1CCN2CCCC[C@@H]2C1 ZINC000093952457 537815469 /nfs/dbraw/zinc/81/54/69/537815469.db2.gz MVMIQTZTLIYTRI-DZGCQCFKSA-N 0 3 245.370 2.313 10 0 BEAEHN CNc1cc(N2CCC(F)(F)CC2)nc(C)n1 ZINC000405053001 343812083 /nfs/dbraw/zinc/81/20/83/343812083.db2.gz JAZDWGRXNNOLTC-UHFFFAOYSA-N 0 3 242.273 2.062 10 0 BEAEHN NCc1cn(C2CCCCCCC2)nn1 ZINC000409423891 343816461 /nfs/dbraw/zinc/81/64/61/343816461.db2.gz QYYRTJKWVKIVSG-UHFFFAOYSA-N 0 3 208.309 2.022 10 0 BEAEHN Cc1nc(N)cc(NCCC2=CCCCC2)n1 ZINC000409428470 343803545 /nfs/dbraw/zinc/80/35/45/343803545.db2.gz FXBWDISSPOIADP-UHFFFAOYSA-N 0 3 232.331 2.092 10 0 BEAEHN CC(C)[C@@]1(NCc2ccccc2)CCCNC1=O ZINC000071973775 187277031 /nfs/dbraw/zinc/27/70/31/187277031.db2.gz PZYJFMSZSNSGGE-HNNXBMFYSA-N 0 3 246.354 2.081 10 0 BEAEHN CN1C[C@@H](CO)C[C@H]1c1ccccc1Cl ZINC000409438923 343846089 /nfs/dbraw/zinc/84/60/89/343846089.db2.gz FACRMOQYPDSYGX-CABZTGNLSA-N 0 3 225.719 2.325 10 0 BEAEHN CNC[C@@H](F)CCOCc1ccccc1 ZINC000575623228 343875860 /nfs/dbraw/zinc/87/58/60/343875860.db2.gz AKWLHCWCBMENIF-LBPRGKRZSA-N 0 3 211.280 2.151 10 0 BEAEHN CNC[C@H](F)CCOCc1ccccc1 ZINC000575623227 343875919 /nfs/dbraw/zinc/87/59/19/343875919.db2.gz AKWLHCWCBMENIF-GFCCVEGCSA-N 0 3 211.280 2.151 10 0 BEAEHN CCn1nc(-c2ccsc2)cc1CNC ZINC000409443912 343863457 /nfs/dbraw/zinc/86/34/57/343863457.db2.gz WKTSIPZPPGVKKG-UHFFFAOYSA-N 0 3 221.329 2.351 10 0 BEAEHN Cc1ccc(CNC2=NCCS2)s1 ZINC000050225738 178601005 /nfs/dbraw/zinc/60/10/05/178601005.db2.gz SVTQFUQWTDVSQF-UHFFFAOYSA-N 0 3 212.343 2.249 10 0 BEAEHN CC(C)Cn1nc(-c2ccncc2)cc1CN ZINC000409444080 343867746 /nfs/dbraw/zinc/86/77/46/343867746.db2.gz ZRRIITLBZCNLDK-UHFFFAOYSA-N 0 3 230.315 2.060 10 0 BEAEHN CNCc1cc(C(F)(F)F)nn1CC1CC1 ZINC000409443561 343867790 /nfs/dbraw/zinc/86/77/90/343867790.db2.gz PQKBGKCEAXKCRQ-UHFFFAOYSA-N 0 3 233.237 2.031 10 0 BEAEHN CC(=O)Nc1cccc([C@H]2CCCN(C)C2)c1 ZINC000075906542 187278776 /nfs/dbraw/zinc/27/87/76/187278776.db2.gz CKVKULWZRWKXMS-ZDUSSCGKSA-N 0 3 232.327 2.454 10 0 BEAEHN Cc1ncsc1CNC1=NC[C@H](C)S1 ZINC000070837387 343956368 /nfs/dbraw/zinc/95/63/68/343956368.db2.gz CFGLWWGHARFGKH-LURJTMIESA-N 0 3 227.358 2.032 10 0 BEAEHN CNCc1ccc(F)c(F)c1Br ZINC000216941484 344130900 /nfs/dbraw/zinc/13/09/00/344130900.db2.gz UMSKUCNYDJVOJF-UHFFFAOYSA-N 0 3 236.059 2.447 10 0 BEAEHN CCC(=O)Nc1ccc(C)c(CN)c1C ZINC000616572422 344183683 /nfs/dbraw/zinc/18/36/83/344183683.db2.gz MLONOXSBCRYJCG-UHFFFAOYSA-N 0 3 206.289 2.111 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1cnc(C2CC2)s1 ZINC000127315292 344190858 /nfs/dbraw/zinc/19/08/58/344190858.db2.gz MSHMIEFNHPMPRJ-LDYMZIIASA-N 0 3 238.356 2.288 10 0 BEAEHN OCCC1(CNCc2ccc(Cl)o2)CC1 ZINC000133078162 344313402 /nfs/dbraw/zinc/31/34/02/344313402.db2.gz UHPCFKFSHNXDNJ-UHFFFAOYSA-N 0 3 229.707 2.185 10 0 BEAEHN C[C@H]1C[C@H](C(=O)NCCN(C)C)CC(C)(C)C1 ZINC000162145496 133518660 /nfs/dbraw/zinc/51/86/60/133518660.db2.gz YLOIIPFEJBNPJU-RYUDHWBXSA-N 0 3 240.391 2.127 10 0 BEAEHN CCCN(CCC)Cc1c(C)nn(C)c1OC ZINC000158052721 323071796 /nfs/dbraw/zinc/07/17/96/323071796.db2.gz JJHLVGLLDKZZPQ-UHFFFAOYSA-N 0 3 239.363 2.359 10 0 BEAEHN CCC[C@](C)(N)C(=O)NCCC1CCCC1 ZINC000037740143 344575207 /nfs/dbraw/zinc/57/52/07/344575207.db2.gz HSYBVQAGWHIURL-ZDUSSCGKSA-N 0 3 226.364 2.200 10 0 BEAEHN CC[C@@](F)(CN)c1ccc(F)c(F)c1 ZINC000158355572 344614100 /nfs/dbraw/zinc/61/41/00/344614100.db2.gz WIUMNFDZHQRDEA-SNVBAGLBSA-N 0 3 203.207 2.498 10 0 BEAEHN CN(C)c1cccc(CN)c1OC(F)(F)F ZINC000396116517 344606938 /nfs/dbraw/zinc/60/69/38/344606938.db2.gz DAEAFDCGDBVIGZ-UHFFFAOYSA-N 0 3 234.221 2.110 10 0 BEAEHN CN(C)c1ccc(OC(F)(F)F)c(CN)c1 ZINC000396118141 344607435 /nfs/dbraw/zinc/60/74/35/344607435.db2.gz HBLZARKGXCWCQM-UHFFFAOYSA-N 0 3 234.221 2.110 10 0 BEAEHN CSC[C@@H](C)NC1=N[C@H](C)CCS1 ZINC000127845241 344666908 /nfs/dbraw/zinc/66/69/08/344666908.db2.gz LVIGVVIUUHTQPU-HTQZYQBOSA-N 0 3 218.391 2.209 10 0 BEAEHN Cc1ccc(N(C)C(=O)[C@@H]2NCCC[C@@H]2C)cc1 ZINC000051813219 178695112 /nfs/dbraw/zinc/69/51/12/178695112.db2.gz JQSOMUKPDVZPBV-GXTWGEPZSA-N 0 3 246.354 2.346 10 0 BEAEHN CN[C@@H](c1cnns1)C1CCCCC1 ZINC000158661917 344712299 /nfs/dbraw/zinc/71/22/99/344712299.db2.gz MNVPRBDDTVXRAC-SNVBAGLBSA-N 0 3 211.334 2.379 10 0 BEAEHN NCc1ccccc1Oc1ccncc1 ZINC000043558593 187293198 /nfs/dbraw/zinc/29/31/98/187293198.db2.gz JCWBHVFYLDPVCD-UHFFFAOYSA-N 0 3 200.241 2.333 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1ccc(F)cc1C ZINC000050568792 344879997 /nfs/dbraw/zinc/87/99/97/344879997.db2.gz TVRRLBXSOWJART-LLVKDONJSA-N 0 3 225.263 2.087 10 0 BEAEHN CCC[C@H](C(=O)N(C)CCC(C)C)N(C)C ZINC000179465591 537871443 /nfs/dbraw/zinc/87/14/43/537871443.db2.gz FVTCIPQOKHOYSB-GFCCVEGCSA-N 0 3 228.380 2.221 10 0 BEAEHN Brc1cnsc1CNCC1CC1 ZINC000667413111 537875459 /nfs/dbraw/zinc/87/54/59/537875459.db2.gz KEBLHLMVHDEXET-UHFFFAOYSA-N 0 3 247.161 2.405 10 0 BEAEHN N[C@H](CCO)c1cccc(C(F)(F)F)c1F ZINC000044233018 344988458 /nfs/dbraw/zinc/98/84/58/344988458.db2.gz UCTGVFVBETVPMF-MRVPVSSYSA-N 0 3 237.196 2.227 10 0 BEAEHN CCOc1ccc(OC(F)(F)F)cc1CN ZINC000044249068 344993452 /nfs/dbraw/zinc/99/34/52/344993452.db2.gz YOHMKKGTUFRFKV-UHFFFAOYSA-N 0 3 235.205 2.443 10 0 BEAEHN N[C@@H](CCO)c1c(Cl)cccc1Cl ZINC000044396344 345050999 /nfs/dbraw/zinc/05/09/99/345050999.db2.gz RWDWDNMIKIBVGZ-QMMMGPOBSA-N 0 3 220.099 2.376 10 0 BEAEHN COC[C@H](N)c1c(F)ccc(F)c1Cl ZINC000238356883 345029353 /nfs/dbraw/zinc/02/93/53/345029353.db2.gz HPYUYGRGUHFGRH-ZETCQYMHSA-N 0 3 221.634 2.264 10 0 BEAEHN Cc1ccc(Br)c2c1[C@H](N)CO2 ZINC000238533058 345071163 /nfs/dbraw/zinc/07/11/63/345071163.db2.gz WVZRIHJQUQFGTI-SSDOTTSWSA-N 0 3 228.089 2.150 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1nn(C)c2ccccc12 ZINC000082432804 345060220 /nfs/dbraw/zinc/06/02/20/345060220.db2.gz KZDFSZQRCXODTG-ONGXEEELSA-N 0 3 215.300 2.071 10 0 BEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@](C)(N)C2CC2)cc1 ZINC000037765011 178837877 /nfs/dbraw/zinc/83/78/77/178837877.db2.gz BMAMWXWALSUQKP-ABAIWWIYSA-N 0 3 246.354 2.300 10 0 BEAEHN CO[C@H](CN)c1ccc(C)cc1Br ZINC000129813974 345262880 /nfs/dbraw/zinc/26/28/80/345262880.db2.gz MSIDPZZKMIQNFC-SNVBAGLBSA-N 0 3 244.132 2.404 10 0 BEAEHN CCCCN(CC)C(=O)[C@]1(C)CCCCN1 ZINC000159555508 345440423 /nfs/dbraw/zinc/44/04/23/345440423.db2.gz IDLMHXMUGXOHTQ-ZDUSSCGKSA-N 0 3 226.364 2.167 10 0 BEAEHN Cc1ccc([C@@](C)(NCC2CC2)C(N)=O)c(C)c1 ZINC000037952110 178879737 /nfs/dbraw/zinc/87/97/37/178879737.db2.gz BIWPMUCMDKSEKS-OAHLLOKOSA-N 0 3 246.354 2.004 10 0 BEAEHN CC[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1O ZINC000253258976 345638502 /nfs/dbraw/zinc/63/85/02/345638502.db2.gz HGBZITKGXRUALW-TZMCWYRMSA-N 0 3 237.318 2.419 10 0 BEAEHN N[C@H]1CCOc2cc(OC(F)(F)F)ccc21 ZINC000147916825 345757483 /nfs/dbraw/zinc/75/74/83/345757483.db2.gz SEOUBRKETCCMIL-QMMMGPOBSA-N 0 3 233.189 2.368 10 0 BEAEHN CC(C)CCNc1cc(N)nc(C2CC2)n1 ZINC000087908998 345940216 /nfs/dbraw/zinc/94/02/16/345940216.db2.gz LQPNDQFHPDCJEO-UHFFFAOYSA-N 0 3 220.320 2.394 10 0 BEAEHN CCCCN(CC)c1cc(NC)nc(C)n1 ZINC000087800887 345941165 /nfs/dbraw/zinc/94/11/65/345941165.db2.gz HWLWLKXVAVOURR-UHFFFAOYSA-N 0 3 222.336 2.453 10 0 BEAEHN Cc1nc(N)cc(N[C@@H]2CCCC[C@@H]2C)n1 ZINC000087808215 345941874 /nfs/dbraw/zinc/94/18/74/345941874.db2.gz QYJBYPDUTCEYJY-WCBMZHEXSA-N 0 3 220.320 2.358 10 0 BEAEHN CNc1cc(NCCC(C)C)nc(C)n1 ZINC000087808023 345942019 /nfs/dbraw/zinc/94/20/19/345942019.db2.gz CZMOSZHLRVJOLV-UHFFFAOYSA-N 0 3 208.309 2.285 10 0 BEAEHN Cc1ccc2c(c1)[C@H](N)CC1(CCOCC1)O2 ZINC000019219300 178955114 /nfs/dbraw/zinc/95/51/14/178955114.db2.gz HVKDPZWGHHLWJR-GFCCVEGCSA-N 0 3 233.311 2.327 10 0 BEAEHN C[C@@H]1CC[C@@H](C)[C@@H](n2cnc(CN)c2)C1 ZINC000669375219 537953395 /nfs/dbraw/zinc/95/33/95/537953395.db2.gz VOABZTQMTFYKNN-FOGDFJRCSA-N 0 3 207.321 2.339 10 0 BEAEHN CC(C)(N)C(=O)Cc1ccccc1Cl ZINC000136388199 346206864 /nfs/dbraw/zinc/20/68/64/346206864.db2.gz ZECRODLCRZBLCU-UHFFFAOYSA-N 0 3 211.692 2.189 10 0 BEAEHN CC(C)[C@H](C)N(C)c1ncc(CN)s1 ZINC000054895926 187318274 /nfs/dbraw/zinc/31/82/74/187318274.db2.gz NAFPODUIFJIFMX-QMMMGPOBSA-N 0 3 213.350 2.083 10 0 BEAEHN C[C@H]1NCCO[C@H]1c1ccccc1Cl ZINC000082964533 187318652 /nfs/dbraw/zinc/31/86/52/187318652.db2.gz DHZHDGAPDQINBW-LDYMZIIASA-N 0 3 211.692 2.389 10 0 BEAEHN Cc1ccc(CN[C@H]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000641767290 362700614 /nfs/dbraw/zinc/70/06/14/362700614.db2.gz YORIECPHHUNQCQ-IMRBUKKESA-N 0 3 234.343 2.436 10 0 BEAEHN Cc1cccc(CN[C@@H]2CCO[C@H]2C)c1F ZINC000294995222 179097791 /nfs/dbraw/zinc/09/77/91/179097791.db2.gz HHOPLOZDPDVGMC-CMPLNLGQSA-N 0 3 223.291 2.401 10 0 BEAEHN C[C@H]1Oc2c(c(F)ccc2Br)[C@H]1N ZINC000160407530 346452426 /nfs/dbraw/zinc/45/24/26/346452426.db2.gz YUBQFJXFSKVORU-VHWMUFPASA-N 0 3 246.079 2.369 10 0 BEAEHN Cc1nc(CNCc2cccc(C)c2)c[nH]1 ZINC000054798428 179094433 /nfs/dbraw/zinc/09/44/33/179094433.db2.gz RFPILEYIECDJNV-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN Cc1ncc(CNCc2cccc(C)c2)[nH]1 ZINC000054798428 179094434 /nfs/dbraw/zinc/09/44/34/179094434.db2.gz RFPILEYIECDJNV-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN CC(C)[C@H](N)C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000262593435 535049750 /nfs/dbraw/zinc/04/97/50/535049750.db2.gz VREHTBHPBFBHMP-RYUDHWBXSA-N 0 3 238.375 2.008 10 0 BEAEHN Cc1cccc(CN[C@H]2CCO[C@H]2C)c1F ZINC000294995225 179101036 /nfs/dbraw/zinc/10/10/36/179101036.db2.gz HHOPLOZDPDVGMC-JQWIXIFHSA-N 0 3 223.291 2.401 10 0 BEAEHN Fc1cccc2c1[C@@H](NCC1CC1)CO2 ZINC000374674328 346543325 /nfs/dbraw/zinc/54/33/25/346543325.db2.gz CACINCQCSYVFIW-JTQLQIEISA-N 0 3 207.248 2.259 10 0 BEAEHN Cc1cccc(NC(=O)CNC2CCC2)c1 ZINC000052210470 179127929 /nfs/dbraw/zinc/12/79/29/179127929.db2.gz ALNYFYYKDLGYHQ-UHFFFAOYSA-N 0 3 218.300 2.076 10 0 BEAEHN Cc1ncsc1[C@H](N)Cc1nccs1 ZINC000164528008 346608211 /nfs/dbraw/zinc/60/82/11/346608211.db2.gz IQUUKLPYQDTPJD-SSDOTTSWSA-N 0 3 225.342 2.151 10 0 BEAEHN N[C@H](c1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000034505577 346657861 /nfs/dbraw/zinc/65/78/61/346657861.db2.gz ATWURDULSBRNEK-LSDHHAIUSA-N 0 3 227.307 2.290 10 0 BEAEHN CNc1cccc(N[C@@H](C)CSC)n1 ZINC000128308416 346670729 /nfs/dbraw/zinc/67/07/29/346670729.db2.gz ZEJMJIXPXPPCFW-QMMMGPOBSA-N 0 3 211.334 2.287 10 0 BEAEHN CCC(CC)[C@@H]1NCCc2ncn(C)c21 ZINC000725242533 537985090 /nfs/dbraw/zinc/98/50/90/537985090.db2.gz CKGSGTKILWNUBR-NSHDSACASA-N 0 3 207.321 2.043 10 0 BEAEHN Cc1cccc(NC(=O)[C@](C)(N)C2CC2)c1 ZINC000037478832 179141665 /nfs/dbraw/zinc/14/16/65/179141665.db2.gz NIGPXTSKVFLEBM-CYBMUJFWSA-N 0 3 218.300 2.061 10 0 BEAEHN CCN1CCN(CC)[C@H](c2ccccc2)C1 ZINC000019366322 347212257 /nfs/dbraw/zinc/21/22/57/347212257.db2.gz GKSICERYUXFYML-AWEZNQCLSA-N 0 3 218.344 2.385 10 0 BEAEHN CN1CCC2(COc3cc4c(cc32)NCC4)CC1 ZINC000039151408 347181374 /nfs/dbraw/zinc/18/13/74/347181374.db2.gz FSMAYISEEYGVRG-UHFFFAOYSA-N 0 3 244.338 2.010 10 0 BEAEHN Cc1cccc([C@](O)(CN)C(F)(F)F)c1C ZINC000062784584 179205003 /nfs/dbraw/zinc/20/50/03/179205003.db2.gz KCGMXFSRQCOMFS-SNVBAGLBSA-N 0 3 233.233 2.012 10 0 BEAEHN Cc1cccc([C@H](N)c2cnn(C)c2)c1C ZINC000034957672 179200900 /nfs/dbraw/zinc/20/09/00/179200900.db2.gz YEKFTSDOGUQZOO-CYBMUJFWSA-N 0 3 215.300 2.085 10 0 BEAEHN O=C1CCC[C@]2(C1)NCCc1ccsc12 ZINC000725242899 537988886 /nfs/dbraw/zinc/98/88/86/537988886.db2.gz VPNAONJKRBXQBL-GFCCVEGCSA-N 0 3 221.325 2.232 10 0 BEAEHN Cc1ccccc1-c1c[nH]c([C@H](C)N)n1 ZINC000036872193 179236296 /nfs/dbraw/zinc/23/62/96/179236296.db2.gz WREZJOXWAGWJLS-VIFPVBQESA-N 0 3 201.273 2.405 10 0 BEAEHN CCC[C@@H]1N[C@H](C)CC[S@@](=O)[C@H]1CC ZINC000251173315 362842605 /nfs/dbraw/zinc/84/26/05/362842605.db2.gz QCGOZGXXPYFGFN-YAMSLAJTSA-N 0 3 217.378 2.064 10 0 BEAEHN c1ccc(CN2CCC[C@@]3(C2)NCCS3)cc1 ZINC000159130271 347479812 /nfs/dbraw/zinc/47/98/12/347479812.db2.gz SQKCAGTYUGSRQB-CQSZACIVSA-N 0 3 248.395 2.315 10 0 BEAEHN Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000048265960 179280161 /nfs/dbraw/zinc/28/01/61/179280161.db2.gz KSYZTDQFWIHRIZ-OCCSQVGLSA-N 0 3 246.354 2.142 10 0 BEAEHN Cc1ccccc1CNCc1cn[nH]c1 ZINC000038005610 179283011 /nfs/dbraw/zinc/28/30/11/179283011.db2.gz IQWXVVVEPDOVCN-UHFFFAOYSA-N 0 3 201.273 2.008 10 0 BEAEHN Cc1ccccc1NC(=O)[C@@](C)(N)C1CC1 ZINC000037478839 179301427 /nfs/dbraw/zinc/30/14/27/179301427.db2.gz CUZBYFUMAAXMDV-ZDUSSCGKSA-N 0 3 218.300 2.061 10 0 BEAEHN Cc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000019439670 179302222 /nfs/dbraw/zinc/30/22/22/179302222.db2.gz SUHYMVVYTIPOSB-DGCLKSJQSA-N 0 3 232.327 2.464 10 0 BEAEHN Cc1ccccc1NC(=O)[C@H](N)C(C)(C)C ZINC000077488094 179302347 /nfs/dbraw/zinc/30/23/47/179302347.db2.gz ZFYQEURKABSGRJ-NSHDSACASA-N 0 3 220.316 2.307 10 0 BEAEHN Cc1ccccc1Oc1ncccc1C(=N)N ZINC000019511744 179314657 /nfs/dbraw/zinc/31/46/57/179314657.db2.gz FHYQPFPHQIVOBL-UHFFFAOYSA-N 0 3 227.267 2.466 10 0 BEAEHN Cc1ccccc1[C@@H](N)COC[C@H]1CCCO1 ZINC000019394065 179325333 /nfs/dbraw/zinc/32/53/33/179325333.db2.gz VOBDFOVCKJPFBK-OCCSQVGLSA-N 0 3 235.327 2.190 10 0 BEAEHN Cc1ccccc1[C@H](N)CN(C)C1CC1 ZINC000037081027 179343495 /nfs/dbraw/zinc/34/34/95/179343495.db2.gz XGRYIZUESXAFEY-CYBMUJFWSA-N 0 3 204.317 2.089 10 0 BEAEHN Cc1ccccc1[C@H](N)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000023069421 179343930 /nfs/dbraw/zinc/34/39/30/179343930.db2.gz UEYBYDANMMMVHK-VNHYZAJKSA-N 0 3 248.370 2.104 10 0 BEAEHN Cc1nc(-c2ncccc2C)sc1CN ZINC000052330040 179355846 /nfs/dbraw/zinc/35/58/46/179355846.db2.gz SUKLAWRKHZSWRC-UHFFFAOYSA-N 0 3 219.313 2.281 10 0 BEAEHN C[C@H]1CCCN(c2nc(CN)ccc2Cl)C1 ZINC000669381918 537998290 /nfs/dbraw/zinc/99/82/90/537998290.db2.gz ADFZGSGSJKUDQT-VIFPVBQESA-N 0 3 239.750 2.430 10 0 BEAEHN Cc1cccnc1[C@@H](N)CC1CCOCC1 ZINC000060700663 179398422 /nfs/dbraw/zinc/39/84/22/179398422.db2.gz HGEFLZSHLDJFHQ-LBPRGKRZSA-N 0 3 220.316 2.207 10 0 BEAEHN CCc1ccc([C@H](C)NC(=O)CNC(C)C)cc1 ZINC000037389739 348404144 /nfs/dbraw/zinc/40/41/44/348404144.db2.gz ONEZTDMETDNHHY-LBPRGKRZSA-N 0 3 248.370 2.424 10 0 BEAEHN Cc1cnc(CN[C@H](C)C2(C)CC2)cn1 ZINC000061320421 179609937 /nfs/dbraw/zinc/60/99/37/179609937.db2.gz PHTGAGJWLXRPDC-SNVBAGLBSA-N 0 3 205.305 2.063 10 0 BEAEHN N[C@H]1C[C@@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247689 538013151 /nfs/dbraw/zinc/01/31/51/538013151.db2.gz USPJSFCLUODZPH-UWVGGRQHSA-N 0 3 228.217 2.100 10 0 BEAEHN Cc1ccc(Cl)c2c1[C@@]1(C[C@H]1N)CN2 ZINC000725247602 538013796 /nfs/dbraw/zinc/01/37/96/538013796.db2.gz RVHRZLXDSIDEQA-KCJUWKMLSA-N 0 3 208.692 2.043 10 0 BEAEHN Cc1cc2c(c(Cl)c1)NC[C@@]21C[C@@H]1N ZINC000725247658 538014031 /nfs/dbraw/zinc/01/40/31/538014031.db2.gz UBMJZBUCFKWSTC-ONGXEEELSA-N 0 3 208.692 2.043 10 0 BEAEHN O[C@H]1CCC[C@H](Nc2ccnc3ccccc32)C1 ZINC000599516514 349205206 /nfs/dbraw/zinc/20/52/06/349205206.db2.gz HSABMUJLFBWOIL-RYUDHWBXSA-N 0 3 242.322 2.372 10 0 BEAEHN CC[C@@H](C)c1nc2c(n1C)[C@@H](N)CCC2 ZINC000725253376 538037539 /nfs/dbraw/zinc/03/75/39/538037539.db2.gz JRVUMDZGUVFQLS-BDAKNGLRSA-N 0 3 207.321 2.270 10 0 BEAEHN Cn1c(C(C)(C)C)nc2c1[C@@H](N)CCC2 ZINC000725253509 538037659 /nfs/dbraw/zinc/03/76/59/538037659.db2.gz OPKCWYXSBFKLBI-QMMMGPOBSA-N 0 3 207.321 2.054 10 0 BEAEHN NCc1noc2ccc(Br)cc21 ZINC000020221761 349253564 /nfs/dbraw/zinc/25/35/64/349253564.db2.gz YQPBSHZZRACKMN-UHFFFAOYSA-N 0 3 227.061 2.049 10 0 BEAEHN NCc1nsc2cc(F)c(F)cc21 ZINC000725254071 538042869 /nfs/dbraw/zinc/04/28/69/538042869.db2.gz FOBUNCVDSYVGRU-UHFFFAOYSA-N 0 3 200.213 2.033 10 0 BEAEHN Cc1nc(C[C@H](N)c2cccnc2)sc1C ZINC000036279593 179984471 /nfs/dbraw/zinc/98/44/71/179984471.db2.gz HEOJHTJKLVPFHE-NSHDSACASA-N 0 3 233.340 2.397 10 0 BEAEHN Cc1nc(N(C)C2CC2)sc1[C@H](C)N ZINC000054895000 179996492 /nfs/dbraw/zinc/99/64/92/179996492.db2.gz MGLWUSSANDZEMD-LURJTMIESA-N 0 3 211.334 2.070 10 0 BEAEHN CCc1ccc(CNCC[C@H](C)[S@@](C)=O)o1 ZINC000132574653 191034537 /nfs/dbraw/zinc/03/45/37/191034537.db2.gz GKZPVOWZSOTYOO-QFYYESIMSA-N 0 3 243.372 2.089 10 0 BEAEHN Cc1ccc([C@H](C)NCC2(CCO)CC2)o1 ZINC000133152332 191038057 /nfs/dbraw/zinc/03/80/57/191038057.db2.gz HBLQCGWUZRGSAC-NSHDSACASA-N 0 3 223.316 2.401 10 0 BEAEHN Cc1ncc(CN[C@@H]2CCCC[C@H]2CO)s1 ZINC000152331157 180156260 /nfs/dbraw/zinc/15/62/60/180156260.db2.gz FLVOIHYEGWSQFE-CMPLNLGQSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1ncc([C@H](C)N[C@H]2C[C@H]2C)c(C)n1 ZINC000252714366 180174427 /nfs/dbraw/zinc/17/44/27/180174427.db2.gz RUYQTIZAUDVDSE-FDOIEUKUSA-N 0 3 205.305 2.152 10 0 BEAEHN Cc1nccc(CNC2(C)CCCC2)n1 ZINC000054790834 180188378 /nfs/dbraw/zinc/18/83/78/180188378.db2.gz QLDBTKLOOPHHMA-UHFFFAOYSA-N 0 3 205.305 2.207 10 0 BEAEHN Cc1nccc(CNCCC(C)(C)C)n1 ZINC000038037864 180189191 /nfs/dbraw/zinc/18/91/91/180189191.db2.gz NHABFTKEENKHBM-UHFFFAOYSA-N 0 3 207.321 2.311 10 0 BEAEHN Cc1nccc(CNC[C@@H]2CC=CCC2)n1 ZINC000037997776 180189391 /nfs/dbraw/zinc/18/93/91/180189391.db2.gz WJULZOIGPMEYGM-GFCCVEGCSA-N 0 3 217.316 2.231 10 0 BEAEHN Cc1ccccc1-c1cc(CN)nc(C)n1 ZINC000074141479 350238565 /nfs/dbraw/zinc/23/85/65/350238565.db2.gz JYUCGUGGVFJOCJ-UHFFFAOYSA-N 0 3 213.284 2.219 10 0 BEAEHN C=Cc1cncc(C[C@H]2CCCN(C)C2)n1 ZINC000725262151 538087703 /nfs/dbraw/zinc/08/77/03/538087703.db2.gz YVYDCTNSRYGEPP-LLVKDONJSA-N 0 3 217.316 2.004 10 0 BEAEHN Cc1nccn1C[C@H]1CCCN1C/C=C/Cl ZINC000178293891 180267827 /nfs/dbraw/zinc/26/78/27/180267827.db2.gz DSOKJAIHGONLGB-OGOUPESXSA-N 0 3 239.750 2.408 10 0 BEAEHN Cc1nccnc1C1CCN(C(C)C)CC1 ZINC000072356949 180271210 /nfs/dbraw/zinc/27/12/10/180271210.db2.gz MZWLWOZNGDNTIS-UHFFFAOYSA-N 0 3 219.332 2.373 10 0 BEAEHN Cc1ncn([C@@H]2COc3ccccc3[C@@H]2N)c1C ZINC000051926483 180289891 /nfs/dbraw/zinc/28/98/91/180289891.db2.gz OWPDHQGHSRHIOS-OCCSQVGLSA-N 0 3 243.310 2.133 10 0 BEAEHN Cc1nccnc1[C@@H](C)NCCc1ccncc1 ZINC000219181123 180279946 /nfs/dbraw/zinc/27/99/46/180279946.db2.gz PTSXRIXVYUXLIP-LLVKDONJSA-N 0 3 242.326 2.073 10 0 BEAEHN Cc1nccnc1[C@H](C)NCCc1ccncc1 ZINC000219181211 180282772 /nfs/dbraw/zinc/28/27/72/180282772.db2.gz PTSXRIXVYUXLIP-NSHDSACASA-N 0 3 242.326 2.073 10 0 BEAEHN Cc1ncsc1CNC[C@@H]1CCCC[C@@H]1O ZINC000084149461 180321031 /nfs/dbraw/zinc/32/10/31/180321031.db2.gz XOYFJEWFFRJYLD-QWRGUYRKSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1nn(C)c(N(C)[C@H](C)CC(C)C)c1CN ZINC000042588509 180353142 /nfs/dbraw/zinc/35/31/42/180353142.db2.gz XFRQLPLJAMVEKV-SNVBAGLBSA-N 0 3 238.379 2.058 10 0 BEAEHN C[C@H](CCNCc1ccc(F)cc1)[S@](C)=O ZINC000132575053 191103022 /nfs/dbraw/zinc/10/30/22/191103022.db2.gz WPPUYROIJFTKKP-QLJPJBMISA-N 0 3 243.347 2.072 10 0 BEAEHN CC[C@H](C)c1cc(CN)nc(C2CC2)n1 ZINC000409437389 350481319 /nfs/dbraw/zinc/48/13/19/350481319.db2.gz FZPQFLJXNVJLJP-QMMMGPOBSA-N 0 3 205.305 2.326 10 0 BEAEHN Cc1nn(Cc2cc(CN)co2)c(C)c1Cl ZINC000052573918 180391500 /nfs/dbraw/zinc/39/15/00/180391500.db2.gz JTWAXKQMDDGQQN-UHFFFAOYSA-N 0 3 239.706 2.253 10 0 BEAEHN CC(C)N1CCO[C@@H](c2ccccn2)CC1 ZINC000616593716 350584130 /nfs/dbraw/zinc/58/41/30/350584130.db2.gz LBARIZRYEBILJV-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ccnnc2)CC1 ZINC000616594292 350593163 /nfs/dbraw/zinc/59/31/63/350593163.db2.gz FAALZKONHHEJAW-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CCN1CCO[C@@H](c2ccccc2OC)CC1 ZINC000616595245 350606881 /nfs/dbraw/zinc/60/68/81/350606881.db2.gz VFSIJTLISTVFQN-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)(C)N1CCCOC[C@H]1c1cccc(N)n1 ZINC000616596800 350637537 /nfs/dbraw/zinc/63/75/37/350637537.db2.gz HPVBXQBPROQQLT-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN CCN1CCOC[C@@H](c2cccc(F)c2)C1 ZINC000616598869 350687157 /nfs/dbraw/zinc/68/71/57/350687157.db2.gz UHSUEDYBZBWCAQ-LBPRGKRZSA-N 0 3 223.291 2.261 10 0 BEAEHN CC(C)N1CCOCC[C@H]1c1cccc(CO)c1 ZINC000616599419 350746888 /nfs/dbraw/zinc/74/68/88/350746888.db2.gz ZCAQXIVYBNZVTB-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CCN1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616599782 350758287 /nfs/dbraw/zinc/75/82/87/350758287.db2.gz PHFGQKJDPXPISS-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CCN1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616599861 350762271 /nfs/dbraw/zinc/76/22/71/350762271.db2.gz RMUGJYFCKSDQQP-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CCN1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616599303 350742823 /nfs/dbraw/zinc/74/28/23/350742823.db2.gz YFSMJIHOZGQTRV-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN COc1ccc(Br)c2c1[C@@H](N)CC2 ZINC000222258555 350767778 /nfs/dbraw/zinc/76/77/78/350767778.db2.gz VILHRYHMNSXHPY-QMMMGPOBSA-N 0 3 242.116 2.404 10 0 BEAEHN OCCN1CCCC[C@H](c2ccccc2F)C1 ZINC000616605021 350794171 /nfs/dbraw/zinc/79/41/71/350794171.db2.gz VUWAGVWNENBIEJ-LBPRGKRZSA-N 0 3 237.318 2.388 10 0 BEAEHN CC(C)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616606374 350797285 /nfs/dbraw/zinc/79/72/85/350797285.db2.gz GUINBFPEMKNTSB-NSHDSACASA-N 0 3 242.363 2.384 10 0 BEAEHN CC(=O)Nc1cccc([C@@H]2CCCN2C)c1 ZINC000616607467 350801119 /nfs/dbraw/zinc/80/11/19/350801119.db2.gz SFCALAUPONZGLL-ZDUSSCGKSA-N 0 3 218.300 2.412 10 0 BEAEHN CC(C)(C)N1CCC[C@H]1c1cccnn1 ZINC000616607469 350801314 /nfs/dbraw/zinc/80/13/14/350801314.db2.gz IDKZGJHPFDIPST-NSHDSACASA-N 0 3 205.305 2.412 10 0 BEAEHN OCCN1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616608454 350804392 /nfs/dbraw/zinc/80/43/92/350804392.db2.gz STXJPZVMHZGMDO-OAHLLOKOSA-N 0 3 242.322 2.364 10 0 BEAEHN OCCN1CC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616614336 350831890 /nfs/dbraw/zinc/83/18/90/350831890.db2.gz ISVMZSYCCINIHE-CYBMUJFWSA-N 0 3 242.322 2.016 10 0 BEAEHN CCN1CCCC[C@@H]1c1cccc(N)n1 ZINC000616614525 350834885 /nfs/dbraw/zinc/83/48/85/350834885.db2.gz UJNINOZFZRJCAV-LLVKDONJSA-N 0 3 205.305 2.211 10 0 BEAEHN Cc1sc(N(C)C2CC2)nc1[C@@H](C)N ZINC000306683530 350841285 /nfs/dbraw/zinc/84/12/85/350841285.db2.gz WDFSPKJCSSULJM-ZCFIWIBFSA-N 0 3 211.334 2.070 10 0 BEAEHN CC(C)(C)[C@@H](N)c1ncncc1Br ZINC000306703837 350852047 /nfs/dbraw/zinc/85/20/47/350852047.db2.gz BQZQXLLOOZQWNM-QMMMGPOBSA-N 0 3 244.136 2.285 10 0 BEAEHN CC(C)N1CCCCC[C@H]1c1nc[nH]n1 ZINC000616620336 350938241 /nfs/dbraw/zinc/93/82/41/350938241.db2.gz HGOALQIIIDJFPU-JTQLQIEISA-N 0 3 208.309 2.130 10 0 BEAEHN CC(C)N1CCCCC[C@H]1c1nnc[nH]1 ZINC000616620336 350938242 /nfs/dbraw/zinc/93/82/42/350938242.db2.gz HGOALQIIIDJFPU-JTQLQIEISA-N 0 3 208.309 2.130 10 0 BEAEHN N[C@@H](Cc1cncs1)c1ccsc1 ZINC000159709468 350981482 /nfs/dbraw/zinc/98/14/82/350981482.db2.gz YLLMLQPRHHJIJZ-VIFPVBQESA-N 0 3 210.327 2.447 10 0 BEAEHN CN[C@H](c1ccsc1)[C@@H]1OCC[C@H]1C ZINC000129229905 351008906 /nfs/dbraw/zinc/00/89/06/351008906.db2.gz XJSGDDWEAPKOPJ-FBIMIBRVSA-N 0 3 211.330 2.434 10 0 BEAEHN CN[C@H](c1ccsc1)[C@@H]1OCC[C@@H]1C ZINC000129230129 351008929 /nfs/dbraw/zinc/00/89/29/351008929.db2.gz XJSGDDWEAPKOPJ-JMJZKYOTSA-N 0 3 211.330 2.434 10 0 BEAEHN Cc1cc(Br)cc2c1OC[C@@H]2N ZINC000063061402 350948926 /nfs/dbraw/zinc/94/89/26/350948926.db2.gz PBWUFDLPDBDAJQ-QMMMGPOBSA-N 0 3 228.089 2.150 10 0 BEAEHN CSC1(CNC2=N[C@H](C)[C@H](C)S2)CC1 ZINC000306781105 351025873 /nfs/dbraw/zinc/02/58/73/351025873.db2.gz BOXGZPUPFOWGAP-SFYZADRCSA-N 0 3 230.402 2.351 10 0 BEAEHN CNC1(C(=O)c2ccc[nH]2)CCCCC1 ZINC000306806298 351056331 /nfs/dbraw/zinc/05/63/31/351056331.db2.gz JGCMVEAEUSKXJR-UHFFFAOYSA-N 0 3 206.289 2.120 10 0 BEAEHN CSC(C)(C)c1nc(CN)cs1 ZINC000306773767 351014903 /nfs/dbraw/zinc/01/49/03/351014903.db2.gz JBOZFGHCKRDYGI-UHFFFAOYSA-N 0 3 202.348 2.200 10 0 BEAEHN CNc1ccccc1[C@H]1CN(C(C)(C)C)CCN1 ZINC000616631779 351108522 /nfs/dbraw/zinc/10/85/22/351108522.db2.gz CCVWTZOHVRZQCO-CQSZACIVSA-N 0 3 247.386 2.473 10 0 BEAEHN CC(C)(C)N1CCN[C@H](c2cccc(N)c2)C1 ZINC000616632009 351110019 /nfs/dbraw/zinc/11/00/19/351110019.db2.gz DCDXQAQGPMOBQF-ZDUSSCGKSA-N 0 3 233.359 2.014 10 0 BEAEHN COc1cccc([C@@H]2CN(C(C)(C)C)CCN2)c1 ZINC000616632089 351110301 /nfs/dbraw/zinc/11/03/01/351110301.db2.gz HJRJGWDNFUBBOW-AWEZNQCLSA-N 0 3 248.370 2.440 10 0 BEAEHN CCN1CCN[C@@H](c2ccc3cnccc3c2)C1 ZINC000616632693 351111994 /nfs/dbraw/zinc/11/19/94/351111994.db2.gz XPUZNTPGODQRQR-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN c1ccc(CN2CC[C@H](c3ccncn3)C2)cc1 ZINC000616634663 351117964 /nfs/dbraw/zinc/11/79/64/351117964.db2.gz WUHOWCLFTOKQEZ-AWEZNQCLSA-N 0 3 239.322 2.466 10 0 BEAEHN CC(=O)Nc1ccccc1[C@H]1CCCN1C ZINC000616634638 351118077 /nfs/dbraw/zinc/11/80/77/351118077.db2.gz WCTORZKWQZZMAB-CYBMUJFWSA-N 0 3 218.300 2.412 10 0 BEAEHN CC(C)N1CCCCC[C@@H]1c1cc(N)n[nH]1 ZINC000616624323 351091299 /nfs/dbraw/zinc/09/12/99/351091299.db2.gz YDVQPYMSVAHYRY-LLVKDONJSA-N 0 3 222.336 2.148 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ccc(N)nc2)C1 ZINC000616653894 351195029 /nfs/dbraw/zinc/19/50/29/351195029.db2.gz YGUQCTBVHMDAOO-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](C(F)F)C1 ZINC000616653637 351193891 /nfs/dbraw/zinc/19/38/91/351193891.db2.gz RKLAUNAAPDLQQH-MRVPVSSYSA-N 0 3 207.264 2.141 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ccnc(N)c2)C1 ZINC000616650358 351177763 /nfs/dbraw/zinc/17/77/63/351177763.db2.gz YPCXMWHMMQXCEO-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ccnnc2)C1 ZINC000616649405 351178787 /nfs/dbraw/zinc/17/87/87/351178787.db2.gz IFWKXWODKRINKM-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ccno2)C1 ZINC000616649919 351179804 /nfs/dbraw/zinc/17/98/04/351179804.db2.gz PVVUXUJMASHSIU-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN CC(=O)Nc1ccc([C@@H]2CN(C)CCCO2)cc1 ZINC000616651701 351189297 /nfs/dbraw/zinc/18/92/97/351189297.db2.gz OKWFFWWFAPNPFQ-AWEZNQCLSA-N 0 3 248.326 2.038 10 0 BEAEHN C[C@@H]1CSC(NCCC(F)(F)F)=N1 ZINC000063100810 351140740 /nfs/dbraw/zinc/14/07/40/351140740.db2.gz NNNPSAPMMVHIDS-RXMQYKEDSA-N 0 3 212.240 2.020 10 0 BEAEHN OCc1cccc([C@H]2NCCc3ccccc32)c1 ZINC000616680311 351247241 /nfs/dbraw/zinc/24/72/41/351247241.db2.gz MOYUZRMOTFKCBA-MRXNPFEDSA-N 0 3 239.318 2.414 10 0 BEAEHN NC[C@H](F)CCCOCc1ccccc1 ZINC000306866380 351251630 /nfs/dbraw/zinc/25/16/30/351251630.db2.gz NRSMIDPBSZYKHR-GFCCVEGCSA-N 0 3 211.280 2.280 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ccon2)CC1 ZINC000616684145 351255201 /nfs/dbraw/zinc/25/52/01/351255201.db2.gz DSRALHVDPKCNLD-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN CN1CCOC[C@H](c2ccnc3ccccc32)C1 ZINC000616657224 351198337 /nfs/dbraw/zinc/19/83/37/351198337.db2.gz CLSBORMWYZEQHZ-GFCCVEGCSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)(C)N1CCOCC[C@H]1c1cccnc1N ZINC000616655803 351201813 /nfs/dbraw/zinc/20/18/13/351201813.db2.gz CQDGETJZOFGTMO-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)(C)N1CCOC[C@@H](c2ccccn2)C1 ZINC000616659295 351207440 /nfs/dbraw/zinc/20/74/40/351207440.db2.gz FHSSSPXCPOHLNF-LBPRGKRZSA-N 0 3 234.343 2.296 10 0 BEAEHN CC(C)(C)N1CCOC[C@H](c2cccnc2)C1 ZINC000616661545 351210545 /nfs/dbraw/zinc/21/05/45/351210545.db2.gz ULSNIUVBHKSXMG-CYBMUJFWSA-N 0 3 234.343 2.296 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ccncn2)CC1 ZINC000616665653 351223456 /nfs/dbraw/zinc/22/34/56/351223456.db2.gz QPHXHMRNLMLPAI-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)N1CCO[C@@H](c2ccc(CO)cc2)CC1 ZINC000616666156 351225868 /nfs/dbraw/zinc/22/58/68/351225868.db2.gz JSXALRRQAJAGQT-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN NCc1cc(F)c(OC(F)F)cc1F ZINC000306906006 351320243 /nfs/dbraw/zinc/32/02/43/351320243.db2.gz YFYBHNATICLTSE-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN COc1ccc(CN)c(Br)c1F ZINC000231841176 351405737 /nfs/dbraw/zinc/40/57/37/351405737.db2.gz VHUIAEJQLMTYDL-UHFFFAOYSA-N 0 3 234.068 2.056 10 0 BEAEHN C[C@@]1([C@H](N)c2ccns2)CCCS1 ZINC000306981182 351400869 /nfs/dbraw/zinc/40/08/69/351400869.db2.gz HLUWDBDYYSRBEN-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN CCOc1ccc([C@@H](F)CN)cc1OC ZINC000380106955 351355650 /nfs/dbraw/zinc/35/56/50/351355650.db2.gz QXVZZIBIOKHCAF-VIFPVBQESA-N 0 3 213.252 2.063 10 0 BEAEHN C[C@H]1CCSC(NCCC(F)(F)F)=N1 ZINC000133641707 351427681 /nfs/dbraw/zinc/42/76/81/351427681.db2.gz VUMGWLGRFZBDNN-LURJTMIESA-N 0 3 226.267 2.410 10 0 BEAEHN Cc1nc([C@H](N)C[C@@H]2CCCO2)cs1 ZINC000307052600 351451233 /nfs/dbraw/zinc/45/12/33/351451233.db2.gz USUCDDNHARBGRA-DTWKUNHWSA-N 0 3 212.318 2.020 10 0 BEAEHN C[C@H](N)c1cnc(-c2ccns2)s1 ZINC000404449872 351459366 /nfs/dbraw/zinc/45/93/66/351459366.db2.gz HTGFBJAMOGUQHJ-YFKPBYRVSA-N 0 3 211.315 2.286 10 0 BEAEHN CO[C@H](CN)c1csc(Br)c1 ZINC000306994637 351410949 /nfs/dbraw/zinc/41/09/49/351410949.db2.gz OFHQDZYIDQSRQK-ZCFIWIBFSA-N 0 3 236.134 2.157 10 0 BEAEHN O[C@@]1(c2ccoc2)CCN(Cc2ccccc2)C1 ZINC000307160203 351512227 /nfs/dbraw/zinc/51/22/27/351512227.db2.gz JWLXBUHKPVVSHV-HNNXBMFYSA-N 0 3 243.306 2.373 10 0 BEAEHN C[C@]1([C@H](N)c2cnsc2)CCCS1 ZINC000404592646 351593654 /nfs/dbraw/zinc/59/36/54/351593654.db2.gz MHOIQYVSAHGBOQ-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN Nc1c(F)cccc1CN1C[C@@H]2CCC[C@@H]21 ZINC000638084976 351961148 /nfs/dbraw/zinc/96/11/48/351961148.db2.gz SIMIJIYNWMDITN-CABZTGNLSA-N 0 3 220.291 2.392 10 0 BEAEHN Nc1c(F)cccc1CN1C[C@@H]2CCC[C@H]21 ZINC000638084977 351961300 /nfs/dbraw/zinc/96/13/00/351961300.db2.gz SIMIJIYNWMDITN-JOYOIKCWSA-N 0 3 220.291 2.392 10 0 BEAEHN CC[C@@H]1CN=C(N[C@H]2CS[C@@H](C)C2)S1 ZINC000307347507 352102354 /nfs/dbraw/zinc/10/23/54/352102354.db2.gz QEJFBPQYGHRVFJ-DJLDLDEBSA-N 0 3 230.402 2.351 10 0 BEAEHN C[C@@H]1CN[C@@H]([C@@H]2CCSC2)SC1 ZINC000224675528 363117444 /nfs/dbraw/zinc/11/74/44/363117444.db2.gz FVLHYXLDYYZLQJ-IWSPIJDZSA-N 0 3 203.376 2.038 10 0 BEAEHN Cn1ccnc1CNCC1CCCCC1 ZINC000035373188 180746545 /nfs/dbraw/zinc/74/65/45/180746545.db2.gz WBSVWUNOWVVTQD-UHFFFAOYSA-N 0 3 207.321 2.090 10 0 BEAEHN C[C@@H](N)c1c[nH]c(-c2ncc(Cl)s2)n1 ZINC000307425284 352592803 /nfs/dbraw/zinc/59/28/03/352592803.db2.gz PIYBEODJXHOWND-SCSAIBSYSA-N 0 3 228.708 2.206 10 0 BEAEHN N[C@H](c1ccns1)[C@@H]1CCCS1 ZINC000307456184 352608190 /nfs/dbraw/zinc/60/81/90/352608190.db2.gz DHTDIUASCSJVSK-XPUUQOCRSA-N 0 3 200.332 2.039 10 0 BEAEHN N[C@H](c1ccns1)[C@H]1CCCS1 ZINC000307456183 352608225 /nfs/dbraw/zinc/60/82/25/352608225.db2.gz DHTDIUASCSJVSK-SVRRBLITSA-N 0 3 200.332 2.039 10 0 BEAEHN CNCc1c(Br)cccc1N(C)C ZINC000307474503 352613909 /nfs/dbraw/zinc/61/39/09/352613909.db2.gz JMTYFGUGUUTBNG-UHFFFAOYSA-N 0 3 243.148 2.235 10 0 BEAEHN NCc1ccc2ccc(Cl)c(F)c2n1 ZINC000307557249 352650154 /nfs/dbraw/zinc/65/01/54/352650154.db2.gz BHPXDMRPYCGIFB-UHFFFAOYSA-N 0 3 210.639 2.486 10 0 BEAEHN NCc1cccc(OC(F)F)c1Cl ZINC000307608701 352667162 /nfs/dbraw/zinc/66/71/62/352667162.db2.gz HCXPNJRJSOWDKE-UHFFFAOYSA-N 0 3 207.607 2.400 10 0 BEAEHN C[C@@H]1CC[C@@](N)(c2ncncc2Cl)C1 ZINC000307495164 352625387 /nfs/dbraw/zinc/62/53/87/352625387.db2.gz MAXFLYUPTOTRNS-XCBNKYQSSA-N 0 3 211.696 2.104 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000638755720 352689357 /nfs/dbraw/zinc/68/93/57/352689357.db2.gz FRSCKNPFLXADKQ-VXGBXAGGSA-N 0 3 238.375 2.153 10 0 BEAEHN C[C@H]1CSC[C@]12NC(C)(C)CS2 ZINC000307621309 352691551 /nfs/dbraw/zinc/69/15/51/352691551.db2.gz BVLVBJUWQANWJX-IONNQARKSA-N 0 3 203.376 2.181 10 0 BEAEHN CSC1([C@H]2N[C@@H](C)CS2)CCC1 ZINC000307626771 352707628 /nfs/dbraw/zinc/70/76/28/352707628.db2.gz IALHFJRWSBCCSS-YUMQZZPRSA-N 0 3 203.376 2.323 10 0 BEAEHN CC(C)(N)c1cnc(C(F)(F)F)s1 ZINC000232520585 353106220 /nfs/dbraw/zinc/10/62/20/353106220.db2.gz VVFNJMMUMMSWMT-UHFFFAOYSA-N 0 3 210.224 2.356 10 0 BEAEHN CC(C)=CCNCc1ccc2c(c1)OCO2 ZINC000200871744 188007738 /nfs/dbraw/zinc/00/77/38/188007738.db2.gz NIWYNYWDAWMZMZ-UHFFFAOYSA-N 0 3 219.284 2.471 10 0 BEAEHN Clc1ccc(CC[C@@H]2COCCN2)s1 ZINC000129424381 353118622 /nfs/dbraw/zinc/11/86/22/353118622.db2.gz VQCFMUQPRGIPRG-MRVPVSSYSA-N 0 3 231.748 2.323 10 0 BEAEHN CC(C)(C)C1CCN(C(=O)C(C)(C)N)CC1 ZINC000050348658 188045880 /nfs/dbraw/zinc/04/58/80/188045880.db2.gz REPWASJSJJBZQE-UHFFFAOYSA-N 0 3 226.364 2.008 10 0 BEAEHN C[C@@H]1C[C@H](NC[C@H]2CCCC[C@H]2O)c2nccn21 ZINC000329303891 538108925 /nfs/dbraw/zinc/10/89/25/538108925.db2.gz WZOYEJGEBVSORS-FVCCEPFGSA-N 0 3 249.358 2.030 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N[C@H](C)CC1CCC1 ZINC000638996131 353239363 /nfs/dbraw/zinc/23/93/63/353239363.db2.gz JOLJXLBYNVKJHF-ZYHUDNBSSA-N 0 3 226.364 2.055 10 0 BEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)C(C)C ZINC000121653345 188249178 /nfs/dbraw/zinc/24/91/78/188249178.db2.gz DRNCVDTXRXDXLX-LBPRGKRZSA-N 0 3 243.395 2.013 10 0 BEAEHN C1OCC1N[C@H]1CCCCC12CCCC2 ZINC000368178967 188253749 /nfs/dbraw/zinc/25/37/49/188253749.db2.gz UXEDNZXVAXDCKC-LBPRGKRZSA-N 0 3 209.333 2.478 10 0 BEAEHN C1OCC1N[C@@H]1CCCCC12CCCC2 ZINC000368178966 188254532 /nfs/dbraw/zinc/25/45/32/188254532.db2.gz UXEDNZXVAXDCKC-GFCCVEGCSA-N 0 3 209.333 2.478 10 0 BEAEHN CC(C)[C@@H](N)c1nc(-c2ccco2)c[nH]1 ZINC000036877036 188278800 /nfs/dbraw/zinc/27/88/00/188278800.db2.gz YOVAKYQKRMWEHW-SNVBAGLBSA-N 0 3 205.261 2.326 10 0 BEAEHN Cc1nn(Cc2cccs2)c(C)c1CN ZINC000036868278 188278881 /nfs/dbraw/zinc/27/88/81/188278881.db2.gz JRWKSONAZBHYQG-UHFFFAOYSA-N 0 3 221.329 2.068 10 0 BEAEHN NC(=S)c1cccc(CN2CCCCC2)c1 ZINC000019435301 188280324 /nfs/dbraw/zinc/28/03/24/188280324.db2.gz HHEVHOIZDJFICO-UHFFFAOYSA-N 0 3 234.368 2.307 10 0 BEAEHN COc1ccc(Cl)cc1NC(=O)C(C)(C)N ZINC000019672585 188281949 /nfs/dbraw/zinc/28/19/49/188281949.db2.gz LQPYENNUJFWRHE-UHFFFAOYSA-N 0 3 242.706 2.024 10 0 BEAEHN NCc1ccccc1[C@H](O)c1ccccc1 ZINC000039216968 188283086 /nfs/dbraw/zinc/28/30/86/188283086.db2.gz ORINBWURJJMNPP-CQSZACIVSA-N 0 3 213.280 2.227 10 0 BEAEHN COc1ccc(CNc2ccncc2)cc1N ZINC000037905989 188289270 /nfs/dbraw/zinc/28/92/70/188289270.db2.gz MHHGUJUROAABTJ-UHFFFAOYSA-N 0 3 229.283 2.285 10 0 BEAEHN CC(C)N1CCNC[C@H]1c1cccc(F)c1 ZINC000077334355 188290701 /nfs/dbraw/zinc/29/07/01/188290701.db2.gz MJDVKYSMXXRNOR-ZDUSSCGKSA-N 0 3 222.307 2.180 10 0 BEAEHN CC(C)N1CCN[C@@H](c2ccccc2F)C1 ZINC000077334364 188290982 /nfs/dbraw/zinc/29/09/82/188290982.db2.gz PHVFZRCSTVRTNJ-CYBMUJFWSA-N 0 3 222.307 2.180 10 0 BEAEHN CC(C)N(CCO)c1cccc(F)c1[C@@H](C)N ZINC000042479751 188293799 /nfs/dbraw/zinc/29/37/99/188293799.db2.gz DEOVCMVUNCKNJU-SNVBAGLBSA-N 0 3 240.322 2.053 10 0 BEAEHN Cc1cccc(Oc2ccnc(C(=N)N)c2)c1 ZINC000061814462 188302793 /nfs/dbraw/zinc/30/27/93/188302793.db2.gz CSPAYXHZNOZBTR-UHFFFAOYSA-N 0 3 227.267 2.466 10 0 BEAEHN CC(C)c1nccc(CNC(C)(C)C)n1 ZINC000054792104 188355077 /nfs/dbraw/zinc/35/50/77/188355077.db2.gz LQODGMKOZWTYHK-UHFFFAOYSA-N 0 3 207.321 2.488 10 0 BEAEHN Cc1ccc(F)c(CNC[C@H]2CCC[C@H]2O)c1 ZINC000230702648 188363655 /nfs/dbraw/zinc/36/36/55/188363655.db2.gz HIZFDSQVIVGARC-BXUZGUMPSA-N 0 3 237.318 2.385 10 0 BEAEHN CC[C@@H]1CCSC(N[C@@H]2CCSC2)=N1 ZINC000231359885 353596157 /nfs/dbraw/zinc/59/61/57/353596157.db2.gz VSYYQRVZJXNFKU-RKDXNWHRSA-N 0 3 230.402 2.353 10 0 BEAEHN Fc1cccc(-c2cc(CNC3CC3)[nH]n2)c1 ZINC000050479250 180993282 /nfs/dbraw/zinc/99/32/82/180993282.db2.gz FOHOEIZBLWRVGL-UHFFFAOYSA-N 0 3 231.274 2.468 10 0 BEAEHN FC(F)(F)COc1ccc2c(c1)CNC2 ZINC000147489165 353717982 /nfs/dbraw/zinc/71/79/82/353717982.db2.gz DOOIZTNNUVWWQT-UHFFFAOYSA-N 0 3 217.190 2.231 10 0 BEAEHN CN([C@@H]1CCSC1)[C@H]1CCCCCC1=O ZINC000252439831 363249445 /nfs/dbraw/zinc/24/94/45/363249445.db2.gz TWJLVFWRYMETTG-MNOVXSKESA-N 0 3 227.373 2.326 10 0 BEAEHN CCC[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000113229783 354295155 /nfs/dbraw/zinc/29/51/55/354295155.db2.gz XGBNUFBLPAXUHJ-AVGNSLFASA-N 0 3 238.375 2.118 10 0 BEAEHN COc1ccc([C@H](N)CF)cc1Br ZINC000238349193 259454326 /nfs/dbraw/zinc/45/43/26/259454326.db2.gz DUZLNEWFKVCWJF-MRVPVSSYSA-N 0 3 248.095 2.427 10 0 BEAEHN CCN1CCC[C@H](NCc2ccccc2F)C1 ZINC000040502379 358493996 /nfs/dbraw/zinc/49/39/96/358493996.db2.gz POVYAURBDUCNTH-ZDUSSCGKSA-N 0 3 236.334 2.400 10 0 BEAEHN CCN1CCC[C@@H](NCc2ccccc2F)C1 ZINC000040502380 358494192 /nfs/dbraw/zinc/49/41/92/358494192.db2.gz POVYAURBDUCNTH-CYBMUJFWSA-N 0 3 236.334 2.400 10 0 BEAEHN N=C(N)c1c(F)cccc1OC1CCCC1 ZINC000036307575 181192815 /nfs/dbraw/zinc/19/28/15/181192815.db2.gz FLHUOLDHGLGJJZ-UHFFFAOYSA-N 0 3 222.263 2.431 10 0 BEAEHN N=C(N)c1cccc(-c2ccc(F)cc2F)n1 ZINC000071186741 181194950 /nfs/dbraw/zinc/19/49/50/181194950.db2.gz CKTLWKLFMVHFIQ-UHFFFAOYSA-N 0 3 233.221 2.311 10 0 BEAEHN N=C(N)c1ncccc1COCC1CCCCC1 ZINC000061658875 181198016 /nfs/dbraw/zinc/19/80/16/181198016.db2.gz CIYHEKOJVDDUGR-UHFFFAOYSA-N 0 3 247.342 2.463 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccoc1 ZINC000227301196 491084511 /nfs/dbraw/zinc/08/45/11/491084511.db2.gz ZOIJDNSPYHECRJ-ZMLRMANQSA-N 0 3 209.289 2.234 10 0 BEAEHN CC[C@@H](N[C@@H]1CCCNC1=O)c1cccc(C)c1 ZINC000336785387 355847018 /nfs/dbraw/zinc/84/70/18/355847018.db2.gz DCWKMGXEDKEPMM-ZIAGYGMSSA-N 0 3 246.354 2.314 10 0 BEAEHN Cc1cc(C#N)ccc1CN1C[C@@H](O)CC[C@@H]1C ZINC000399297809 355921464 /nfs/dbraw/zinc/92/14/64/355921464.db2.gz NZWAIOXLPBEFAY-WFASDCNBSA-N 0 3 244.338 2.212 10 0 BEAEHN C[C@@H](C(=O)Nc1cccc2c1CNCC2)C1CC1 ZINC000167366273 355985503 /nfs/dbraw/zinc/98/55/03/355985503.db2.gz UYIBSVIKURSUPW-SNVBAGLBSA-N 0 3 244.338 2.317 10 0 BEAEHN CCN1CC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000389287446 355957006 /nfs/dbraw/zinc/95/70/06/355957006.db2.gz WKYVVVVXQLGPHF-SECBINFHSA-N 0 3 248.355 2.197 10 0 BEAEHN NC(=O)CC[C@@H](N)c1cc(Cl)ccc1Cl ZINC000037483926 181226920 /nfs/dbraw/zinc/22/69/20/181226920.db2.gz ZYARZEFMXKVZRK-SECBINFHSA-N 0 3 247.125 2.259 10 0 BEAEHN CCN1CCC[C@H](Nc2ccc(F)cn2)C1 ZINC000041045451 358504801 /nfs/dbraw/zinc/50/48/01/358504801.db2.gz LLSKDLFXCKWESJ-NSHDSACASA-N 0 3 223.295 2.117 10 0 BEAEHN C[C@H]1CC[C@H](O)CN1CCOCC1CCCC1 ZINC000421028835 192308877 /nfs/dbraw/zinc/30/88/77/192308877.db2.gz UQTWQVAUNVDPPV-JSGCOSHPSA-N 0 3 241.375 2.038 10 0 BEAEHN O[C@H]([C@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000336215226 134136105 /nfs/dbraw/zinc/13/61/05/134136105.db2.gz MUULAJOEQHHKRI-WCBMZHEXSA-N 0 3 237.265 2.174 10 0 BEAEHN CCCNCc1nc(CN(C)CC)cs1 ZINC000052445721 538470497 /nfs/dbraw/zinc/47/04/97/538470497.db2.gz SWCOQKZHUPJDAC-UHFFFAOYSA-N 0 3 227.377 2.094 10 0 BEAEHN CCN(C)Cc1csc(CNCC(C)C)n1 ZINC000052445779 538470510 /nfs/dbraw/zinc/47/05/10/538470510.db2.gz QWNLKKVEPKJYNU-UHFFFAOYSA-N 0 3 241.404 2.340 10 0 BEAEHN CCCN(CCC)Cc1csc(CN)n1 ZINC000052416796 538470557 /nfs/dbraw/zinc/47/05/57/538470557.db2.gz ZZTRSBUAHQWJON-UHFFFAOYSA-N 0 3 227.377 2.224 10 0 BEAEHN NC1(c2ccc(Cl)cc2Cl)CC(O)C1 ZINC000675058419 538481427 /nfs/dbraw/zinc/48/14/27/538481427.db2.gz FBNJYZWCXHHEIT-UHFFFAOYSA-N 0 3 232.110 2.302 10 0 BEAEHN CN(C)CCOc1ccc(C=O)c(Cl)c1 ZINC000090669237 363552796 /nfs/dbraw/zinc/55/27/96/363552796.db2.gz ILJLLQWHRGTMOY-UHFFFAOYSA-N 0 3 227.691 2.093 10 0 BEAEHN CCc1cn2c(n1)[C@H](C(C)C)NCCC2 ZINC000675067343 538493698 /nfs/dbraw/zinc/49/36/98/538493698.db2.gz AMEVDHZMTGFMFR-NSHDSACASA-N 0 3 207.321 2.136 10 0 BEAEHN CCCC[C@@H]1NCCCn2cc(C)nc21 ZINC000675067829 538494984 /nfs/dbraw/zinc/49/49/84/538494984.db2.gz JYHZLFCZKAMORJ-NSHDSACASA-N 0 3 207.321 2.416 10 0 BEAEHN CC[C@H](C)[C@H]1NCCCn2cc(C)nc21 ZINC000675067779 538495379 /nfs/dbraw/zinc/49/53/79/538495379.db2.gz JKKRPTPXWIHLBU-GXSJLCMTSA-N 0 3 207.321 2.272 10 0 BEAEHN CCc1cn2c(n1)[C@@H](C1CCC1)NCCC2 ZINC000675067873 538495670 /nfs/dbraw/zinc/49/56/70/538495670.db2.gz KONMKWVGYSEZMU-GFCCVEGCSA-N 0 3 219.332 2.280 10 0 BEAEHN Cc1cn2c(n1)[C@@H](C(C)(C)C)NCCC2 ZINC000675068206 538495732 /nfs/dbraw/zinc/49/57/32/538495732.db2.gz NPXNHZHRIJRYJA-JTQLQIEISA-N 0 3 207.321 2.272 10 0 BEAEHN CC(C)C(=O)CCCN1CCC[C@@H](N(C)C)C1 ZINC000675075289 538509099 /nfs/dbraw/zinc/50/90/99/538509099.db2.gz KQGSMYABJPCDHL-CYBMUJFWSA-N 0 3 240.391 2.018 10 0 BEAEHN CCN1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000389428901 356667873 /nfs/dbraw/zinc/66/78/73/356667873.db2.gz XOVVVAUBRTVVSQ-LLVKDONJSA-N 0 3 242.326 2.136 10 0 BEAEHN CC(C)C1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675078825 538515838 /nfs/dbraw/zinc/51/58/38/538515838.db2.gz UHFOFBAYDIRUBY-LLVKDONJSA-N 0 3 240.347 2.147 10 0 BEAEHN COc1ccc([C@H]2C[C@H](F)CN2)cc1OC ZINC000675082640 538523455 /nfs/dbraw/zinc/52/34/55/538523455.db2.gz RNRNPNYBVVKFSV-VHSXEESVSA-N 0 3 225.263 2.076 10 0 BEAEHN CC(C)c1nn(C)cc1-c1cnccc1N ZINC000127008208 538538289 /nfs/dbraw/zinc/53/82/89/538538289.db2.gz WZIGUILWIGGYRQ-UHFFFAOYSA-N 0 3 216.288 2.188 10 0 BEAEHN Cn1cnc2c1C1(CCCCCC1)NCC2 ZINC000084259031 538528921 /nfs/dbraw/zinc/52/89/21/538528921.db2.gz ZJDHDQDZORNHOE-UHFFFAOYSA-N 0 3 219.332 2.115 10 0 BEAEHN Cc1cc(C#N)ccc1CN1CCC[C@H](O)[C@H]1C ZINC000384955043 356815019 /nfs/dbraw/zinc/81/50/19/356815019.db2.gz VUVPZLXDNPFHLP-DOMZBBRYSA-N 0 3 244.338 2.212 10 0 BEAEHN CCCn1cc(CN(C)[C@H]2CCSC2)cn1 ZINC000130557144 325066670 /nfs/dbraw/zinc/06/66/70/325066670.db2.gz PITXSNDBBFAKKC-LBPRGKRZSA-N 0 3 239.388 2.230 10 0 BEAEHN COC[C@H](C)CN(C)Cc1ccccc1OC ZINC000131914107 325190261 /nfs/dbraw/zinc/19/02/61/325190261.db2.gz AVDDTIWTPLCUSF-GFCCVEGCSA-N 0 3 237.343 2.410 10 0 BEAEHN COC1CC(N[C@@H]2CCOc3ccccc32)C1 ZINC000230673798 357548542 /nfs/dbraw/zinc/54/85/42/357548542.db2.gz JWCVECCHYFERCG-GCZXYKMCSA-N 0 3 233.311 2.277 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CC1CCC1 ZINC000085697058 357553481 /nfs/dbraw/zinc/55/34/81/357553481.db2.gz ASGNGTXMRFXJSZ-GXTWGEPZSA-N 0 3 222.376 2.345 10 0 BEAEHN CC(C)=CCN[C@H]1CCN(c2ncccc2F)C1 ZINC000191109437 357750836 /nfs/dbraw/zinc/75/08/36/357750836.db2.gz VIDHNBNOXQQZPE-LBPRGKRZSA-N 0 3 249.333 2.355 10 0 BEAEHN C[C@@H]1C[C@H](O)CCN1CCOCC1CCCC1 ZINC000639938558 357944102 /nfs/dbraw/zinc/94/41/02/357944102.db2.gz CNVMWCDGVMLNON-TZMCWYRMSA-N 0 3 241.375 2.038 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCCc2ccccc21 ZINC000036872959 358055327 /nfs/dbraw/zinc/05/53/27/358055327.db2.gz NQUOXNSBAPLGKU-GFCCVEGCSA-N 0 3 232.327 2.093 10 0 BEAEHN CC[C@@H](CC(=O)N1CC[C@H](N(C)C)C1)C(C)C ZINC000171508562 134258794 /nfs/dbraw/zinc/25/87/94/134258794.db2.gz UXLZFGKFJXJLNT-STQMWFEESA-N 0 3 240.391 2.221 10 0 BEAEHN CC(C)OCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000171499347 134259056 /nfs/dbraw/zinc/25/90/56/134259056.db2.gz HNDZHHUSYGBIDS-KBPBESRZSA-N 0 3 241.375 2.445 10 0 BEAEHN Cc1ccc(C)c2c1OC[C@@H]([C@@H](C)N(C)C)O2 ZINC000584615049 358279434 /nfs/dbraw/zinc/27/94/34/358279434.db2.gz IOCBSRRBFCLPNI-NEPJUHHUSA-N 0 3 235.327 2.393 10 0 BEAEHN CCN(CC)C[C@@H]1Oc2cccc(C)c2O1 ZINC000584614802 358279632 /nfs/dbraw/zinc/27/96/32/358279632.db2.gz KZOMWVFKBGRANZ-GFCCVEGCSA-N 0 3 221.300 2.434 10 0 BEAEHN N=C(NO)c1ccc(C(F)(F)F)c(F)c1 ZINC000584594965 358252115 /nfs/dbraw/zinc/25/21/15/358252115.db2.gz HKNNBUXPQWGATC-UHFFFAOYSA-N 0 3 222.141 2.149 10 0 BEAEHN C[C@H](NCc1ccc[nH]1)[C@@H](O)c1ccccc1 ZINC000584596092 358254000 /nfs/dbraw/zinc/25/40/00/358254000.db2.gz MXSFBJQVSIKKTL-SMDDNHRTSA-N 0 3 230.311 2.226 10 0 BEAEHN O=C(N[C@H]1CCCCN1)OCc1ccccc1 ZINC000584627079 358296657 /nfs/dbraw/zinc/29/66/57/358296657.db2.gz GBXBJHOAWMQCSY-LBPRGKRZSA-N 0 3 234.299 2.012 10 0 BEAEHN CN(CC1CC1)C[C@@H]1NCCc2ccccc21 ZINC000043596110 358383396 /nfs/dbraw/zinc/38/33/96/358383396.db2.gz CXJFQGRGOVCITA-HNNXBMFYSA-N 0 3 230.355 2.215 10 0 BEAEHN CCOC(=O)C[C@H](C)N1CCc2ccccc2C1 ZINC000043622525 358384417 /nfs/dbraw/zinc/38/44/17/358384417.db2.gz XKUWPCSHXBZPCA-LBPRGKRZSA-N 0 3 247.338 2.386 10 0 BEAEHN C[C@@H]1CCS[C@@H]([C@H]2CCSC2)N1 ZINC000300210488 358538764 /nfs/dbraw/zinc/53/87/64/358538764.db2.gz LQLIJEPBHNYBSU-VGMNWLOBSA-N 0 3 203.376 2.181 10 0 BEAEHN OCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000132102365 358707493 /nfs/dbraw/zinc/70/74/93/358707493.db2.gz OIOWCEJBIRLZNH-LLVKDONJSA-N 0 3 241.718 2.136 10 0 BEAEHN O=C1NCCC[C@H]1N[C@H](c1ccccc1)C1CC1 ZINC000050395478 358726139 /nfs/dbraw/zinc/72/61/39/358726139.db2.gz JCZVTTPZIVTYCM-ZIAGYGMSSA-N 0 3 244.338 2.006 10 0 BEAEHN COc1cccc(F)c1[C@H](C)NCC[C@@H](C)O ZINC000135146236 358822358 /nfs/dbraw/zinc/82/23/58/358822358.db2.gz VIAAQOOLMWWWGB-ZJUUUORDSA-N 0 3 241.306 2.256 10 0 BEAEHN CC(=O)CCN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134232215 358784118 /nfs/dbraw/zinc/78/41/18/358784118.db2.gz AOCHWBIBLZWYAM-WFASDCNBSA-N 0 3 247.338 2.290 10 0 BEAEHN CC[C@H]1CCCCCN1C(=O)[C@@H](N)C(C)C ZINC000134359654 358787766 /nfs/dbraw/zinc/78/77/66/358787766.db2.gz QUHKWVAHLFYUFK-RYUDHWBXSA-N 0 3 226.364 2.151 10 0 BEAEHN CCN1CCC[C@H](Nc2ncccc2F)C1 ZINC000054700711 358872339 /nfs/dbraw/zinc/87/23/39/358872339.db2.gz SJKRBWDRUYXXNN-JTQLQIEISA-N 0 3 223.295 2.117 10 0 BEAEHN c1cc(CN[C@H]2CCOC3(CCCCC3)C2)n[nH]1 ZINC000136732057 358885757 /nfs/dbraw/zinc/88/57/57/358885757.db2.gz SCAUICDZXNZOQZ-LBPRGKRZSA-N 0 3 249.358 2.381 10 0 BEAEHN CC(C)CCOCCN(C)C[C@H]1CCCO1 ZINC000056494955 358897913 /nfs/dbraw/zinc/89/79/13/358897913.db2.gz MRRSVPROUBSXCE-CYBMUJFWSA-N 0 3 229.364 2.160 10 0 BEAEHN NC1(c2ncc(Cl)cc2F)CCC1 ZINC000306166140 358975229 /nfs/dbraw/zinc/97/52/29/358975229.db2.gz MBNQLDHPYGRCJJ-UHFFFAOYSA-N 0 3 200.644 2.212 10 0 BEAEHN C[C@]1([C@@H](N)c2ccsn2)CCCS1 ZINC000306179920 358991192 /nfs/dbraw/zinc/99/11/92/358991192.db2.gz IYXJRSBOJJVFFN-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN COCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000074352198 359116222 /nfs/dbraw/zinc/11/62/22/359116222.db2.gz ZWJDXYGWDNBOHP-STQMWFEESA-N 0 3 227.348 2.056 10 0 BEAEHN Cc1ccc(Cl)c([C@H](N)CN(C)C)c1 ZINC000306214681 359314825 /nfs/dbraw/zinc/31/48/25/359314825.db2.gz NMMZMBNJDOWTMC-LLVKDONJSA-N 0 3 212.724 2.210 10 0 BEAEHN C1=C[C@@H](N2CCN3CCCC[C@@H]3C2)CCC1 ZINC000248368771 359271222 /nfs/dbraw/zinc/27/12/22/359271222.db2.gz VOBUJXFOKVJJEZ-ZIAGYGMSSA-N 0 3 220.360 2.265 10 0 BEAEHN C[C@@H]1CSC[C@]12NC[C@@H](C)CS2 ZINC000306349156 359670099 /nfs/dbraw/zinc/67/00/99/359670099.db2.gz JFALHFAUEYJNTO-IWSPIJDZSA-N 0 3 203.376 2.038 10 0 BEAEHN CSC1([C@H]2NC[C@H](C)CS2)CC1 ZINC000306446624 360013303 /nfs/dbraw/zinc/01/33/03/360013303.db2.gz BOXSHDNABCMLLV-YUMQZZPRSA-N 0 3 203.376 2.181 10 0 BEAEHN COc1ccc(C)cc1CNC[C@H]1CCC[C@H]1O ZINC000089163091 359995247 /nfs/dbraw/zinc/99/52/47/359995247.db2.gz WAJMJWOSXKUWSN-TZMCWYRMSA-N 0 3 249.354 2.254 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)C(C)(C)C ZINC000090224339 360066872 /nfs/dbraw/zinc/06/68/72/360066872.db2.gz BCWFWXOBROBEFR-MWLCHTKSSA-N 0 3 236.363 2.446 10 0 BEAEHN C[C@H]1CN(C)C[C@H]1Nc1ncc(Cl)s1 ZINC000306466077 360079732 /nfs/dbraw/zinc/07/97/32/360079732.db2.gz KHFPBAMUVZSYIL-NKWVEPMBSA-N 0 3 231.752 2.159 10 0 BEAEHN NCC[S@@](=O)c1ccc(Cl)cc1Cl ZINC000306482620 360157134 /nfs/dbraw/zinc/15/71/34/360157134.db2.gz DUHVSBJKRSGNFO-CYBMUJFWSA-N 0 3 238.139 2.060 10 0 BEAEHN C[C@H]1C[C@]2(CN1Cc1ccccc1)NCCS2 ZINC000306485962 360162352 /nfs/dbraw/zinc/16/23/52/360162352.db2.gz OGBQLBKULWLTOK-JSGCOSHPSA-N 0 3 248.395 2.314 10 0 BEAEHN CC[C@@H](C)CN[C@H]1CCCn2c(C)nnc21 ZINC000093079928 360215117 /nfs/dbraw/zinc/21/51/17/360215117.db2.gz UIZSFFBQYPWYGA-KOLCDFICSA-N 0 3 222.336 2.057 10 0 BEAEHN CSC[C@H](N)c1c(F)cccc1F ZINC000069759095 360396095 /nfs/dbraw/zinc/39/60/95/360396095.db2.gz JIAKRENVCJUWBZ-QMMMGPOBSA-N 0 3 203.257 2.328 10 0 BEAEHN COc1cc([C@H]2CCCCCN2)sn1 ZINC000306534378 360396911 /nfs/dbraw/zinc/39/69/11/360396911.db2.gz IQNAYBSKJGPQEU-MRVPVSSYSA-N 0 3 212.318 2.356 10 0 BEAEHN C[C@@H]1CSCCN([C@H]2CCCCC2=O)C1 ZINC000306566738 360446204 /nfs/dbraw/zinc/44/62/04/360446204.db2.gz YWZJTPXIUCZWDR-QWRGUYRKSA-N 0 3 227.373 2.183 10 0 BEAEHN COc1cc(-c2csc(CN)c2)sn1 ZINC000306548808 360419571 /nfs/dbraw/zinc/41/95/71/360419571.db2.gz XUWLEOOIBWIRER-UHFFFAOYSA-N 0 3 226.326 2.339 10 0 BEAEHN CC(C)OC1CC(NCc2ccccn2)C1 ZINC000309529117 491149991 /nfs/dbraw/zinc/14/99/91/491149991.db2.gz CZYABEBYVPMVGU-UHFFFAOYSA-N 0 3 220.316 2.127 10 0 BEAEHN NC[C@H](c1sccc1Cl)N1CCCC1 ZINC000306613249 361080586 /nfs/dbraw/zinc/08/05/86/361080586.db2.gz KLEFGPSFXZNDRH-SECBINFHSA-N 0 3 230.764 2.497 10 0 BEAEHN NCc1cncc(Cl)c1OC(F)(F)F ZINC000238571627 361157665 /nfs/dbraw/zinc/15/76/65/361157665.db2.gz DRLJMTQHUWUYEX-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1cc(Cl)cnc1N ZINC000069943638 361177446 /nfs/dbraw/zinc/17/74/46/361177446.db2.gz PHVAJJONPAGZFQ-HZGVNTEJSA-N 0 3 213.712 2.363 10 0 BEAEHN NC1(c2c(F)cccc2Cl)CCOCC1 ZINC000036906428 181331718 /nfs/dbraw/zinc/33/17/18/181331718.db2.gz GZVSEKNUBAZZFM-UHFFFAOYSA-N 0 3 229.682 2.444 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@H](C)c2cscn2)C1 ZINC000309894960 491157893 /nfs/dbraw/zinc/15/78/93/491157893.db2.gz FMUYRRQMOFLWDQ-HBNTYKKESA-N 0 3 239.388 2.134 10 0 BEAEHN NC1(c2nc(-c3ccccn3)c[nH]2)CCCC1 ZINC000037616857 181334920 /nfs/dbraw/zinc/33/49/20/181334920.db2.gz OBHQREKYTCXMQQ-UHFFFAOYSA-N 0 3 228.299 2.200 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(CC)Cc1ccoc1 ZINC000629601235 361492819 /nfs/dbraw/zinc/49/28/19/361492819.db2.gz HZDYXVSRKGUTBG-ZYHUDNBSSA-N 0 3 238.331 2.002 10 0 BEAEHN Cc1c(CN[C@@]23C[C@@H]2CCCC3)cnn1C ZINC000631225508 361579200 /nfs/dbraw/zinc/57/92/00/361579200.db2.gz JSPOASODDRDYDL-STQMWFEESA-N 0 3 219.332 2.151 10 0 BEAEHN CNC(=N)c1ccc(Br)s1 ZINC000070598082 361582068 /nfs/dbraw/zinc/58/20/68/361582068.db2.gz WSQXHBBIHXUYFM-UHFFFAOYSA-N 0 3 219.107 2.055 10 0 BEAEHN Cc1sc(C(F)(F)F)nc1[C@@H](C)N ZINC000306638473 361586292 /nfs/dbraw/zinc/58/62/92/361586292.db2.gz CEDHBRSFHRQLSC-GSVOUGTGSA-N 0 3 210.224 2.490 10 0 BEAEHN CC(C)(N)C(=O)CCCOCc1ccccc1 ZINC000306477519 541313373 /nfs/dbraw/zinc/31/33/73/541313373.db2.gz ACLWOLHTDGPDEK-UHFFFAOYSA-N 0 3 235.327 2.290 10 0 BEAEHN Cc1cccc([C@@H](CN)C(=O)OC(C)(C)C)c1 ZINC000725264366 541337609 /nfs/dbraw/zinc/33/76/09/541337609.db2.gz IZYHMOXBDMRFMP-GFCCVEGCSA-N 0 3 235.327 2.379 10 0 BEAEHN CC[C@@H]1CC[C@@H](C)N1C[C@H](O)C(F)(F)F ZINC000136404526 364469745 /nfs/dbraw/zinc/46/97/45/364469745.db2.gz GANJIOAVRHWMLC-HLTSFMKQSA-N 0 3 225.254 2.173 10 0 BEAEHN COc1cccc(F)c1[C@@H](C)NC[C@@H](C)CO ZINC000135125864 541361745 /nfs/dbraw/zinc/36/17/45/541361745.db2.gz RRIPGLDGXXHUTN-NXEZZACHSA-N 0 3 241.306 2.113 10 0 BEAEHN CN(C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000170863398 364544961 /nfs/dbraw/zinc/54/49/61/364544961.db2.gz RQBYJMRBYCRGRK-ZDUSSCGKSA-N 0 3 238.375 2.119 10 0 BEAEHN CC[C@@H](N[C@@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898277 364721145 /nfs/dbraw/zinc/72/11/45/364721145.db2.gz VGTBPKKMYZCGST-WCQYABFASA-N 0 3 234.343 2.218 10 0 BEAEHN C[C@@H]1C[C@@H]1N[C@H]1CCCc2cccnc21 ZINC000252548979 541450226 /nfs/dbraw/zinc/45/02/26/541450226.db2.gz NFINELIEMYHCAE-USWWRNFRSA-N 0 3 202.301 2.457 10 0 BEAEHN NCCN(C(=O)c1ccccc1)c1ccccc1 ZINC000020234458 181391080 /nfs/dbraw/zinc/39/10/80/181391080.db2.gz WOCFMZOKSZZTHQ-UHFFFAOYSA-N 0 3 240.306 2.292 10 0 BEAEHN CCNCc1cnn2c1ccc(C)c2C ZINC000685947501 541496755 /nfs/dbraw/zinc/49/67/55/541496755.db2.gz OQEJRWYCKJPCBV-UHFFFAOYSA-N 0 3 203.289 2.061 10 0 BEAEHN COC[C@@H](N)c1ccc(C)cc1Br ZINC000161664725 370870985 /nfs/dbraw/zinc/87/09/85/370870985.db2.gz NTAKVBKPNJHSFV-SNVBAGLBSA-N 0 3 244.132 2.404 10 0 BEAEHN CN1CCC2(COc3ccccc32)CC1 ZINC000038951373 368327428 /nfs/dbraw/zinc/32/74/28/368327428.db2.gz LKMOKFJULSQBCR-UHFFFAOYSA-N 0 3 203.285 2.042 10 0 BEAEHN CCN1CCN(CC)[C@@H](c2ccccc2)C1 ZINC000105088111 368386672 /nfs/dbraw/zinc/38/66/72/368386672.db2.gz GKSICERYUXFYML-CQSZACIVSA-N 0 3 218.344 2.385 10 0 BEAEHN C[C@@H](N)c1nn(C)c2c1cccc2Cl ZINC000107449096 368489918 /nfs/dbraw/zinc/48/99/18/368489918.db2.gz VZZANOOMKCPQQS-ZCFIWIBFSA-N 0 3 209.680 2.246 10 0 BEAEHN C[C@@H](NCc1cn2cccnc2n1)C(C)(C)C ZINC000114474737 368941235 /nfs/dbraw/zinc/94/12/35/368941235.db2.gz FUFZAXCKBAZSOW-SNVBAGLBSA-N 0 3 232.331 2.254 10 0 BEAEHN N[C@]1(c2cccc(Br)c2)CCOC1 ZINC000105638714 369060531 /nfs/dbraw/zinc/06/05/31/369060531.db2.gz XLHVFJWPJVTGMG-SNVBAGLBSA-N 0 3 242.116 2.023 10 0 BEAEHN NC[C@H](c1ccco1)N1CCc2sccc2C1 ZINC000022223299 181454468 /nfs/dbraw/zinc/45/44/68/181454468.db2.gz AHUIVKSOFRUJHI-LLVKDONJSA-N 0 3 248.351 2.399 10 0 BEAEHN C[C@@H]1[C@@H](O)CCCN1CCOCC1CCCC1 ZINC000459521823 203294880 /nfs/dbraw/zinc/29/48/80/203294880.db2.gz UMEJDJQZDFOQIV-OCCSQVGLSA-N 0 3 241.375 2.038 10 0 BEAEHN C[C@H]1[C@H](O)CCCN1CCOCC1CCCC1 ZINC000459521821 203295629 /nfs/dbraw/zinc/29/56/29/203295629.db2.gz UMEJDJQZDFOQIV-GXTWGEPZSA-N 0 3 241.375 2.038 10 0 BEAEHN Cc1cc(CN2CCC[C@@H]2CCCO)ccn1 ZINC000621254258 370187191 /nfs/dbraw/zinc/18/71/91/370187191.db2.gz NOWKIRXMNPNAGT-CQSZACIVSA-N 0 3 234.343 2.127 10 0 BEAEHN CC(C)(C)c1cc(CN)n(-c2ccccn2)n1 ZINC000113515749 370417717 /nfs/dbraw/zinc/41/77/17/370417717.db2.gz UEBYLDWEXHKHFP-UHFFFAOYSA-N 0 3 230.315 2.024 10 0 BEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccccc2)C1 ZINC000092052822 371077880 /nfs/dbraw/zinc/07/78/80/371077880.db2.gz NDKHNGAJTAXILL-HIFRSBDPSA-N 0 3 248.370 2.058 10 0 BEAEHN CN[C@H]1COc2cc(F)c(Br)cc21 ZINC000131369751 371596070 /nfs/dbraw/zinc/59/60/70/371596070.db2.gz PDIBXVWVBBHSMN-QMMMGPOBSA-N 0 3 246.079 2.241 10 0 BEAEHN C[C@H](NCCC(N)=O)c1ccc2ccccc2c1 ZINC000028919624 371677028 /nfs/dbraw/zinc/67/70/28/371677028.db2.gz LSVWIKKCRUCXKK-NSHDSACASA-N 0 3 242.322 2.366 10 0 BEAEHN CC(C)(C)OC(=O)Nc1cc(C[NH3+])ccc1[O-] ZINC000217074050 371882467 /nfs/dbraw/zinc/88/24/67/371882467.db2.gz RFYOOTUDPNJAMA-UHFFFAOYSA-N 0 3 238.287 2.198 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1cc(Cl)ccc1F ZINC000163017933 371911885 /nfs/dbraw/zinc/91/18/85/371911885.db2.gz NBPWLPKLBGERLA-SNVBAGLBSA-N 0 3 245.681 2.432 10 0 BEAEHN CCc1nc(-c2cncs2)sc1CN ZINC000163336299 371977631 /nfs/dbraw/zinc/97/76/31/371977631.db2.gz RKJWZXGKNCJCPO-UHFFFAOYSA-N 0 3 225.342 2.288 10 0 BEAEHN Cc1cnccc1[C@H](N)c1ccsc1 ZINC000132911147 371947417 /nfs/dbraw/zinc/94/74/17/371947417.db2.gz VBHMEICNNKQXET-LLVKDONJSA-N 0 3 204.298 2.500 10 0 BEAEHN Cc1cnccc1[C@@H](N)c1ccsc1 ZINC000132911333 371947584 /nfs/dbraw/zinc/94/75/84/371947584.db2.gz VBHMEICNNKQXET-NSHDSACASA-N 0 3 204.298 2.500 10 0 BEAEHN C[C@@H]1CCC[C@H]([C@H](N)c2cnsn2)C1 ZINC000163533923 372009340 /nfs/dbraw/zinc/00/93/40/372009340.db2.gz UGMGHRWZFLFDBR-WEDXCCLWSA-N 0 3 211.334 2.364 10 0 BEAEHN CC(C)N1CC[C@H](NOCc2ccccc2)C1 ZINC000133501377 372064526 /nfs/dbraw/zinc/06/45/26/372064526.db2.gz RXNVRTFYWXCTBL-AWEZNQCLSA-N 0 3 234.343 2.191 10 0 BEAEHN CC(C)N1CC[C@@H](NOCc2ccccc2)C1 ZINC000133501592 372064683 /nfs/dbraw/zinc/06/46/83/372064683.db2.gz RXNVRTFYWXCTBL-CQSZACIVSA-N 0 3 234.343 2.191 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1cccc(Cl)c1F ZINC000229247216 372131708 /nfs/dbraw/zinc/13/17/08/372131708.db2.gz DZWHCZXLWKGPMD-SECBINFHSA-N 0 3 245.681 2.432 10 0 BEAEHN C/C=C/CNCc1ccc(OC)c(OC)c1 ZINC000038293670 372531197 /nfs/dbraw/zinc/53/11/97/372531197.db2.gz RDCSOXNFDYSZJY-SNAWJCMRSA-N 0 3 221.300 2.370 10 0 BEAEHN CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000037619931 168969758 /nfs/dbraw/zinc/96/97/58/168969758.db2.gz VWGMEEKQYMVASP-GHMZBOCLSA-N 0 3 238.331 2.283 10 0 BEAEHN OCC1(NCc2cc(Cl)cs2)CC1 ZINC000126355944 183037533 /nfs/dbraw/zinc/03/75/33/183037533.db2.gz VXBUNPHYCNJVIL-UHFFFAOYSA-N 0 3 217.721 2.016 10 0 BEAEHN CCCC[C@H](N)C(=O)NCC(CC)CC ZINC000083347979 169006396 /nfs/dbraw/zinc/00/63/96/169006396.db2.gz FKWHMMPGMVIUKH-NSHDSACASA-N 0 3 214.353 2.056 10 0 BEAEHN OC[C@@H](NCCCF)c1ccc(Cl)cc1 ZINC000272814268 183107872 /nfs/dbraw/zinc/10/78/72/183107872.db2.gz DAHYLASNPCANQW-LLVKDONJSA-N 0 3 231.698 2.323 10 0 BEAEHN CCCCn1c(N)nc2cc(OC)c(OC)cc21 ZINC000075415199 169033666 /nfs/dbraw/zinc/03/36/66/169033666.db2.gz HFSFBISKCNONTM-UHFFFAOYSA-N 0 3 249.314 2.436 10 0 BEAEHN CCCN(C(=O)C1(N)CCCCC1)C(C)C ZINC000037096214 169040662 /nfs/dbraw/zinc/04/06/62/169040662.db2.gz MXHAYDSLTJZSHW-UHFFFAOYSA-N 0 3 226.364 2.295 10 0 BEAEHN OC[C@]1(NCc2cccs2)CCCSC1 ZINC000061590908 183159115 /nfs/dbraw/zinc/15/91/15/183159115.db2.gz IBSGDNXNQHJYFY-LLVKDONJSA-N 0 3 243.397 2.096 10 0 BEAEHN O[C@@H](CNC1CC1)c1cc(Cl)ccc1F ZINC000083264713 183177127 /nfs/dbraw/zinc/17/71/27/183177127.db2.gz LZLKCBFEYWYLJM-NSHDSACASA-N 0 3 229.682 2.265 10 0 BEAEHN O[C@@H](CNC1CC1)c1c(F)cccc1Cl ZINC000032015824 183178072 /nfs/dbraw/zinc/17/80/72/183178072.db2.gz KYPZXOBWRODWDE-JTQLQIEISA-N 0 3 229.682 2.265 10 0 BEAEHN O[C@@H](CN1CCCC1)c1ccccc1Cl ZINC000019784881 183176562 /nfs/dbraw/zinc/17/65/62/183176562.db2.gz PIZOTVFAOKXIOI-LBPRGKRZSA-N 0 3 225.719 2.469 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1cccc(F)c1F ZINC000089164687 183196079 /nfs/dbraw/zinc/19/60/79/183196079.db2.gz DPICXMDLJDRMMY-BXKDBHETSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@@H]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC000041225908 183200294 /nfs/dbraw/zinc/20/02/94/183200294.db2.gz XRZQAVLNSRKLHS-GHMZBOCLSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H](CN1CCCC1)c1ccccc1Cl ZINC000019784882 183220630 /nfs/dbraw/zinc/22/06/30/183220630.db2.gz PIZOTVFAOKXIOI-GFCCVEGCSA-N 0 3 225.719 2.469 10 0 BEAEHN CCCN(C1CC1)[C@H]1COc2ccccc2[C@@H]1N ZINC000037097173 169091657 /nfs/dbraw/zinc/09/16/57/169091657.db2.gz MPEKAABXLNKUBC-ZFWWWQNUSA-N 0 3 246.354 2.322 10 0 BEAEHN O[C@]12CCCC[C@H]1CN(Cc1cccnc1)CC2 ZINC000019339012 183252535 /nfs/dbraw/zinc/25/25/35/183252535.db2.gz YLXVDEWNLHNDPV-GJZGRUSLSA-N 0 3 246.354 2.209 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1cc(F)cc(F)c1 ZINC000125645246 183232324 /nfs/dbraw/zinc/23/23/24/183232324.db2.gz IOCVGJKAJIXVFB-OLZOCXBDSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000049577626 183233553 /nfs/dbraw/zinc/23/35/53/183233553.db2.gz PDUBGGUAZAAGGU-OLZOCXBDSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCC[C@H]1NCc1ccccc1Cl ZINC000037489983 183237821 /nfs/dbraw/zinc/23/78/21/183237821.db2.gz IGYFYVCNGZIDTP-NEPJUHHUSA-N 0 3 225.719 2.343 10 0 BEAEHN Oc1ccc(CCNc2ccncc2)cc1 ZINC000040736759 183269232 /nfs/dbraw/zinc/26/92/32/183269232.db2.gz NTRCZHJPTXMNKD-UHFFFAOYSA-N 0 3 214.268 2.442 10 0 BEAEHN Oc1ccc2c(c1)OC[C@@H]2NCCc1ccco1 ZINC000035661586 183281621 /nfs/dbraw/zinc/28/16/21/183281621.db2.gz QMPCYDLCKOPXNY-ZDUSSCGKSA-N 0 3 245.278 2.251 10 0 BEAEHN CCCN(CCC)C(=O)[C@H]1CCC[C@H](C)N1 ZINC000019432147 169144749 /nfs/dbraw/zinc/14/47/49/169144749.db2.gz HBHXGDJOWYECMX-NWDGAFQWSA-N 0 3 226.364 2.166 10 0 BEAEHN CCCN1CCC[C@@H](c2csc(N)n2)C1 ZINC000026937343 169195260 /nfs/dbraw/zinc/19/52/60/169195260.db2.gz GOVJAWLZFVFXRD-SECBINFHSA-N 0 3 225.361 2.315 10 0 BEAEHN c1[nH]c(-c2ccccc2)nc1CNC1CC1 ZINC000062821384 183381801 /nfs/dbraw/zinc/38/18/01/183381801.db2.gz RHYOXCHUKFFRQK-UHFFFAOYSA-N 0 3 213.284 2.329 10 0 BEAEHN c1nc(-c2ccccc2)[nH]c1CNC1CC1 ZINC000062821384 183381802 /nfs/dbraw/zinc/38/18/02/183381802.db2.gz RHYOXCHUKFFRQK-UHFFFAOYSA-N 0 3 213.284 2.329 10 0 BEAEHN c1ccc(CCCNCc2cncnc2)cc1 ZINC000054767042 183391636 /nfs/dbraw/zinc/39/16/36/183391636.db2.gz ONNNANWIFYBYHU-UHFFFAOYSA-N 0 3 227.311 2.199 10 0 BEAEHN CCCNCc1ccc(N2CCC[C@H]2CC)nn1 ZINC000051398717 169266374 /nfs/dbraw/zinc/26/63/74/169266374.db2.gz OXMDPQSAWOPGCX-CYBMUJFWSA-N 0 3 248.374 2.355 10 0 BEAEHN CCCNCc1ccnc(-c2cccc(C)n2)n1 ZINC000104160084 169267554 /nfs/dbraw/zinc/26/75/54/169267554.db2.gz OHHKNCFWCIMQTL-UHFFFAOYSA-N 0 3 242.326 2.347 10 0 BEAEHN c1nc2c([nH]1)[C@H](CCc1ccccc1)NCC2 ZINC000065406394 183395414 /nfs/dbraw/zinc/39/54/14/183395414.db2.gz PQJZTJQBRRCCRW-LBPRGKRZSA-N 0 3 227.311 2.229 10 0 BEAEHN CCCN[C@@H](C)c1csc(CCN(C)C)n1 ZINC000076810804 169277339 /nfs/dbraw/zinc/27/73/39/169277339.db2.gz KMGNVPBOMGGGGK-JTQLQIEISA-N 0 3 241.404 2.308 10 0 BEAEHN CCCOC[C@H](N)c1ccc(OC)cc1OC ZINC000037025177 169309509 /nfs/dbraw/zinc/30/95/09/169309509.db2.gz AVXQBPCIHICKSJ-LBPRGKRZSA-N 0 3 239.315 2.130 10 0 BEAEHN CCCO[C@H]1CCc2ccccc2[C@H]1N ZINC000037024947 169312894 /nfs/dbraw/zinc/31/28/94/169312894.db2.gz JZNIIDPUPMUCPZ-QWHCGFSZSA-N 0 3 205.301 2.428 10 0 BEAEHN CCCO[C@H]1CCc2ccccc2[C@@H]1N ZINC000037024943 169313257 /nfs/dbraw/zinc/31/32/57/169313257.db2.gz JZNIIDPUPMUCPZ-STQMWFEESA-N 0 3 205.301 2.428 10 0 BEAEHN CCCN[C@H]1CCN(c2ccccc2C)C1=O ZINC000049647944 169291749 /nfs/dbraw/zinc/29/17/49/169291749.db2.gz SUVYRZFTRPQQEZ-LBPRGKRZSA-N 0 3 232.327 2.100 10 0 BEAEHN CCCN[C@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647792 169292153 /nfs/dbraw/zinc/29/21/53/169292153.db2.gz OCNQIJHNAVFKEL-ZDUSSCGKSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCN[C@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974193 169292419 /nfs/dbraw/zinc/29/24/19/169292419.db2.gz MCFCTBBRHDFZAV-ZBEGNZNMSA-N 0 3 241.331 2.378 10 0 BEAEHN CCCN[C@H]1COc2ccc(OC)cc21 ZINC000035652803 169292781 /nfs/dbraw/zinc/29/27/81/169292781.db2.gz RFNSXACMTXWQIQ-NSHDSACASA-N 0 3 207.273 2.128 10 0 BEAEHN CCC[C@@H](C(=O)NCC1(C2CC2)CC1)N(C)C ZINC000120512596 169343533 /nfs/dbraw/zinc/34/35/33/169343533.db2.gz NRHSJWIBBVNREV-LBPRGKRZSA-N 0 3 238.375 2.023 10 0 BEAEHN CCCOc1cccc2c1OCC[C@@H]2N ZINC000036928689 169326939 /nfs/dbraw/zinc/32/69/39/169326939.db2.gz DMSLUEZJEVGGLD-JTQLQIEISA-N 0 3 207.273 2.258 10 0 BEAEHN CCC[C@@H](N)C(=O)NCC(C)(C)C1CCCC1 ZINC000236937776 169389583 /nfs/dbraw/zinc/38/95/83/169389583.db2.gz CLBBJFIKKGUDQZ-GFCCVEGCSA-N 0 3 240.391 2.446 10 0 BEAEHN CC(C)(C)[C@H](O)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000222115651 134330244 /nfs/dbraw/zinc/33/02/44/134330244.db2.gz XZTVKXLLPWCRJM-YNEHKIRRSA-N 0 3 241.375 2.037 10 0 BEAEHN CCC[C@H](N)C(=O)NCC(C)(C)C1CCCC1 ZINC000236844848 169501321 /nfs/dbraw/zinc/50/13/21/169501321.db2.gz CLBBJFIKKGUDQZ-LBPRGKRZSA-N 0 3 240.391 2.446 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NC[C@H]1CCSC1 ZINC000224427527 134347258 /nfs/dbraw/zinc/34/72/58/134347258.db2.gz UDDHEENFTIDDPP-PWSUYJOCSA-N 0 3 235.352 2.463 10 0 BEAEHN CC[C@@H](N[C@H]1CCOC1)c1c(C)noc1C ZINC000131560092 383832744 /nfs/dbraw/zinc/83/27/44/383832744.db2.gz LSMILFBMAWTRQK-WDEREUQCSA-N 0 3 224.304 2.121 10 0 BEAEHN c1ncc(CNCCC2=CCCCC2)cn1 ZINC000054767012 383917483 /nfs/dbraw/zinc/91/74/83/383917483.db2.gz MQPRXTVZMICIRI-UHFFFAOYSA-N 0 3 217.316 2.457 10 0 BEAEHN Cc1ccc([C@@H](C)NCC(=O)N(C)C)c(C)c1 ZINC000037225374 383962037 /nfs/dbraw/zinc/96/20/37/383962037.db2.gz RVMBWIIARWGWDG-GFCCVEGCSA-N 0 3 234.343 2.042 10 0 BEAEHN CO[C@H](CN1CCC[C@@H](O)[C@@H]1C)c1ccccc1 ZINC000296313988 384046412 /nfs/dbraw/zinc/04/64/12/384046412.db2.gz PXAWWJKHSWNMEW-NWANDNLSSA-N 0 3 249.354 2.219 10 0 BEAEHN CN[C@@H]1COc2c1cc(Br)cc2F ZINC000035653899 384088990 /nfs/dbraw/zinc/08/89/90/384088990.db2.gz JXZWJGLZYIVOOM-MRVPVSSYSA-N 0 3 246.079 2.241 10 0 BEAEHN CN[C@H]1COc2c1cc(C)cc2Br ZINC000035653836 384089461 /nfs/dbraw/zinc/08/94/61/384089461.db2.gz NZVLETDDXHNJKP-VIFPVBQESA-N 0 3 242.116 2.410 10 0 BEAEHN CCC1(CC)N=C(C)C(CN(C)C)=C(C)N1 ZINC000039102431 384103454 /nfs/dbraw/zinc/10/34/54/384103454.db2.gz CCOAHWMUXIJDEX-UHFFFAOYSA-N 0 3 223.364 2.402 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CCN(C)C2=O)cc1C ZINC000116390564 384133126 /nfs/dbraw/zinc/13/31/26/384133126.db2.gz WXQGRMQGPPSJJK-GXTWGEPZSA-N 0 3 246.354 2.185 10 0 BEAEHN CC[C@H](NC1CC(C)C1)c1nccn1C ZINC000132294500 384184676 /nfs/dbraw/zinc/18/46/76/384184676.db2.gz OJYNPHMYJYBDET-ILDUYXDCSA-N 0 3 207.321 2.259 10 0 BEAEHN CO[C@H](CN)c1ccccc1Br ZINC000043094024 384181724 /nfs/dbraw/zinc/18/17/24/384181724.db2.gz VOIPGILBMJYRJP-SECBINFHSA-N 0 3 230.105 2.095 10 0 BEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccsc1 ZINC000282284918 384211286 /nfs/dbraw/zinc/21/12/86/384211286.db2.gz LHEHZHRJYLFHIC-ATZCPNFKSA-N 0 3 238.356 2.066 10 0 BEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccsc1 ZINC000282284931 384211488 /nfs/dbraw/zinc/21/14/88/384211488.db2.gz LHEHZHRJYLFHIC-QXEWZRGKSA-N 0 3 238.356 2.066 10 0 BEAEHN CCCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000082725343 384259636 /nfs/dbraw/zinc/25/96/36/384259636.db2.gz AGEKQSOBLQJZEL-QWHCGFSZSA-N 0 3 210.365 2.345 10 0 BEAEHN CCC[C@H](C(=O)NCCC1CCCC1)N(C)C ZINC000179438545 384292292 /nfs/dbraw/zinc/29/22/92/384292292.db2.gz HABHSICOCPOYDF-CYBMUJFWSA-N 0 3 240.391 2.413 10 0 BEAEHN Cc1nc(C)c(CN2CCC[C@H](O)[C@H]2C)s1 ZINC000295084348 384292382 /nfs/dbraw/zinc/29/23/82/384292382.db2.gz SIUGXTIDGLVHGR-KOLCDFICSA-N 0 3 240.372 2.105 10 0 BEAEHN CCC[C@@H](C(=O)NCCC1CCCC1)N(C)C ZINC000179438539 384292496 /nfs/dbraw/zinc/29/24/96/384292496.db2.gz HABHSICOCPOYDF-ZDUSSCGKSA-N 0 3 240.391 2.413 10 0 BEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1cccs1 ZINC000282498945 384297696 /nfs/dbraw/zinc/29/76/96/384297696.db2.gz YADXDOIWVNXOSI-GUBZILKMSA-N 0 3 238.356 2.066 10 0 BEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1cccs1 ZINC000282498946 384298397 /nfs/dbraw/zinc/29/83/97/384298397.db2.gz YADXDOIWVNXOSI-KXUCPTDWSA-N 0 3 238.356 2.066 10 0 BEAEHN CC(C)(C)OC(=O)N1CCc2cccc(CN)c21 ZINC000076188329 384362421 /nfs/dbraw/zinc/36/24/21/384362421.db2.gz YQAKBUMNCPAWNH-UHFFFAOYSA-N 0 3 248.326 2.443 10 0 BEAEHN CCOc1ccc(-c2n[nH]c3c2CNCC3)cc1 ZINC000077393447 384405679 /nfs/dbraw/zinc/40/56/79/384405679.db2.gz GSQJUYLOTPJFLZ-UHFFFAOYSA-N 0 3 243.310 2.121 10 0 BEAEHN C[C@@H]1OCC[C@@H]1N[C@@H]1CCOc2ccccc21 ZINC000135296570 384432122 /nfs/dbraw/zinc/43/21/22/384432122.db2.gz NYPGCBXIOMBYGQ-WCFLWFBJSA-N 0 3 233.311 2.277 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccc2c(c1)CCO2 ZINC000135311182 384434462 /nfs/dbraw/zinc/43/44/62/384434462.db2.gz GFYXLULFPXGNAZ-MJVIPROJSA-N 0 3 247.338 2.450 10 0 BEAEHN CSCC(=O)Nc1cccc(CN(C)C)c1 ZINC000047453178 384485880 /nfs/dbraw/zinc/48/58/80/384485880.db2.gz TVTVRNNHLJHBHY-UHFFFAOYSA-N 0 3 238.356 2.050 10 0 BEAEHN CC(=O)CCN1CC[C@H](Nc2ccccc2)C1 ZINC000103481099 384633297 /nfs/dbraw/zinc/63/32/97/384633297.db2.gz AFVCEHAAUBMBJE-AWEZNQCLSA-N 0 3 232.327 2.152 10 0 BEAEHN C[C@H](NCC1CC(O)C1)c1ccccc1F ZINC000084446474 384619909 /nfs/dbraw/zinc/61/99/09/384619909.db2.gz JEFZEOINMMJVJX-WHXUTIOJSA-N 0 3 223.291 2.247 10 0 BEAEHN CC[C@H](N[C@H]1CCCNC1=O)c1ccccc1 ZINC000050394465 384621175 /nfs/dbraw/zinc/62/11/75/384621175.db2.gz WLEPUDXUIVQSMC-STQMWFEESA-N 0 3 232.327 2.006 10 0 BEAEHN CCc1ccc([C@@H](C)N[C@H]2CCCNC2=O)cc1 ZINC000050393727 384621268 /nfs/dbraw/zinc/62/12/68/384621268.db2.gz IUWSHCKIAABVDD-RISCZKNCSA-N 0 3 246.354 2.178 10 0 BEAEHN CC(C)(C)Sc1cccc(C(=N)N)n1 ZINC000081622657 384626726 /nfs/dbraw/zinc/62/67/26/384626726.db2.gz WMZDCYOZVXCRNL-UHFFFAOYSA-N 0 3 209.318 2.256 10 0 BEAEHN Cc1ccc([C@@H](C)NCc2[nH]ncc2C)o1 ZINC000309833344 384652383 /nfs/dbraw/zinc/65/23/83/384652383.db2.gz ZFHLTJZGIKAUCI-SNVBAGLBSA-N 0 3 219.288 2.470 10 0 BEAEHN C[C@H]1Sc2c(cc(F)cc2F)[C@@H]1N ZINC000043636136 384728126 /nfs/dbraw/zinc/72/81/26/384728126.db2.gz QIJCZAJCUQGCOK-SPGJFGJESA-N 0 3 201.241 2.459 10 0 BEAEHN CCC[C@@H](C)CN1CCC[C@@H]1C(=O)OCC ZINC000051323748 384702142 /nfs/dbraw/zinc/70/21/42/384702142.db2.gz WVULPWVQXHINAZ-VXGBXAGGSA-N 0 3 227.348 2.450 10 0 BEAEHN Cc1c(CNCCC2(F)CCC2)cnn1C ZINC000309918805 384714472 /nfs/dbraw/zinc/71/44/72/384714472.db2.gz QUZIGRHNTGJEHP-UHFFFAOYSA-N 0 3 225.311 2.100 10 0 BEAEHN C[C@@H]1Oc2ccc(Br)cc2[C@H]1N ZINC000043635067 384721216 /nfs/dbraw/zinc/72/12/16/384721216.db2.gz UKVOIDKDARSJLE-CDUCUWFYSA-N 0 3 228.089 2.230 10 0 BEAEHN C[C@@H]1Oc2c(cc(F)cc2Br)[C@H]1N ZINC000043635012 384721882 /nfs/dbraw/zinc/72/18/82/384721882.db2.gz DSSJDNLFGWUGSY-NVNXEXLPSA-N 0 3 246.079 2.369 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cccc2c1OCCCO2 ZINC000052273110 384729601 /nfs/dbraw/zinc/72/96/01/384729601.db2.gz GKVAQVAGGZXXBM-PWSUYJOCSA-N 0 3 233.311 2.346 10 0 BEAEHN CC(C)CC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052554682 384736962 /nfs/dbraw/zinc/73/69/62/384736962.db2.gz KCCMFRHEIRLBAS-CQSZACIVSA-N 0 3 248.370 2.452 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnn(C)c1C ZINC000126277483 384759206 /nfs/dbraw/zinc/75/92/06/384759206.db2.gz MEOFCEJVBWGTEN-JQWIXIFHSA-N 0 3 207.321 2.007 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cn(C)nc1C ZINC000126274753 384759989 /nfs/dbraw/zinc/75/99/89/384759989.db2.gz PVXFESUJZOGPDL-ZYHUDNBSSA-N 0 3 207.321 2.007 10 0 BEAEHN Cn1nccc1CNC/C=C\c1ccccc1 ZINC000211957519 384771608 /nfs/dbraw/zinc/77/16/08/384771608.db2.gz CHQQLIFUUVUKFY-YVMONPNESA-N 0 3 227.311 2.223 10 0 BEAEHN C[C@@H](NCc1cn2c(n1)CCCC2)C1CC1 ZINC000309737595 384781455 /nfs/dbraw/zinc/78/14/55/384781455.db2.gz CRRHZFMNGLQUSJ-SNVBAGLBSA-N 0 3 219.332 2.108 10 0 BEAEHN COC[C@H](NC[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000300094653 533089044 /nfs/dbraw/zinc/08/90/44/533089044.db2.gz YOHNPTOOBVDPSD-SOUVJXGZSA-N 0 3 249.354 2.125 10 0 BEAEHN CCC[C@H]1CCC[C@@H]1NCc1ccn(C)n1 ZINC000310038293 384805367 /nfs/dbraw/zinc/80/53/67/384805367.db2.gz VYKLFGNBUGJACF-AAEUAGOBSA-N 0 3 221.348 2.479 10 0 BEAEHN CN(Cc1cccnc1)C[C@H]1CCCC[C@@H]1O ZINC000053883660 384809372 /nfs/dbraw/zinc/80/93/72/384809372.db2.gz AVTWDZJQFZJQOI-KGLIPLIRSA-N 0 3 234.343 2.065 10 0 BEAEHN Cc1csc(CN[C@H]2CCCC[C@H]2CO)n1 ZINC000164268268 384953020 /nfs/dbraw/zinc/95/30/20/384953020.db2.gz WBUPVUASEKFPGM-QWRGUYRKSA-N 0 3 240.372 2.092 10 0 BEAEHN Cl/C=C/CN1CCC(Cn2cccn2)CC1 ZINC000105920331 384890634 /nfs/dbraw/zinc/89/06/34/384890634.db2.gz QHTLSMCBVBRVHX-ORCRQEGFSA-N 0 3 239.750 2.348 10 0 BEAEHN CCOc1ccc(CN)c(OCC)c1C ZINC000575721488 384899909 /nfs/dbraw/zinc/89/99/09/384899909.db2.gz MRKWNAAXHSNXRY-UHFFFAOYSA-N 0 3 209.289 2.251 10 0 BEAEHN C[C@H]1CC[C@@H](O)CN1Cc1cccs1 ZINC000307333566 384989437 /nfs/dbraw/zinc/98/94/37/384989437.db2.gz QKXRZVHEHRMLLT-VHSXEESVSA-N 0 3 211.330 2.093 10 0 BEAEHN COc1ncc(CN[C@@H](C)C(C)C)s1 ZINC000308711789 385009062 /nfs/dbraw/zinc/00/90/62/385009062.db2.gz ZHADAXKXXJUMCC-QMMMGPOBSA-N 0 3 214.334 2.286 10 0 BEAEHN Cc1cnc(CCN2C[C@@H](O)CC[C@@H]2C)c(C)c1 ZINC000401021211 385034059 /nfs/dbraw/zinc/03/40/59/385034059.db2.gz GYNKIRHZGOTRTM-KBPBESRZSA-N 0 3 248.370 2.086 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cnn(C)c1 ZINC000090175233 385215874 /nfs/dbraw/zinc/21/58/74/385215874.db2.gz XDCOKJUGXUTLML-UMNHJUIQSA-N 0 3 207.321 2.259 10 0 BEAEHN CSCCN[C@H]1CCc2c1cccc2O ZINC000068996918 385240346 /nfs/dbraw/zinc/24/03/46/385240346.db2.gz HWJKIKBDXVRXSP-NSHDSACASA-N 0 3 223.341 2.332 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC000052274755 385270244 /nfs/dbraw/zinc/27/02/44/385270244.db2.gz OAUUHIYPGBQYHF-MWLCHTKSSA-N 0 3 207.321 2.136 10 0 BEAEHN CN[C@H](C)c1cnc(N2CCCC2)s1 ZINC000054900001 385293754 /nfs/dbraw/zinc/29/37/54/385293754.db2.gz IKHOPKLGCVPZRS-MRVPVSSYSA-N 0 3 211.334 2.024 10 0 BEAEHN CC(C)N1CCCC[C@H]1c1cccnn1 ZINC000259370903 385358944 /nfs/dbraw/zinc/35/89/44/385358944.db2.gz HJHLUNPKISSRGP-LBPRGKRZSA-N 0 3 205.305 2.412 10 0 BEAEHN CCC[C@@H](C(=O)N[C@@H](C)C1CCCC1)N(C)C ZINC000179326770 385375154 /nfs/dbraw/zinc/37/51/54/385375154.db2.gz GRAHJBKLJOGPOR-AAEUAGOBSA-N 0 3 240.391 2.412 10 0 BEAEHN CC[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1ccccc1 ZINC000644016922 385378884 /nfs/dbraw/zinc/37/88/84/385378884.db2.gz MSKUMDKCEMPOPX-OLZOCXBDSA-N 0 3 246.354 2.252 10 0 BEAEHN CCC1CCC(NC(=O)[C@@H]2NCC2(C)C)CC1 ZINC000644017827 385382435 /nfs/dbraw/zinc/38/24/35/385382435.db2.gz WERCCGUTPCTYRF-MCIGGMRASA-N 0 3 238.375 2.069 10 0 BEAEHN Cc1ccc([C@@H]2CNC(C)(C)CO2)s1 ZINC000036673114 385448758 /nfs/dbraw/zinc/44/87/58/385448758.db2.gz SPSUPOUHGAXXAT-VIFPVBQESA-N 0 3 211.330 2.496 10 0 BEAEHN C[C@@H]1C[C@@](O)(c2ccsc2)CCN1C ZINC000156794528 385469538 /nfs/dbraw/zinc/46/95/38/385469538.db2.gz SQMXRNSICPZYLX-MWLCHTKSSA-N 0 3 211.330 2.050 10 0 BEAEHN CN(C)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000106770376 385528524 /nfs/dbraw/zinc/52/85/24/385528524.db2.gz XMVPPBTUIVENRK-CYBMUJFWSA-N 0 3 236.359 2.039 10 0 BEAEHN CCOc1ccccc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037164404 385596966 /nfs/dbraw/zinc/59/69/66/385596966.db2.gz MYKAWWZQBBHUEK-ZIAGYGMSSA-N 0 3 249.354 2.478 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2c(F)cccc2F)C1 ZINC000037164534 385597794 /nfs/dbraw/zinc/59/77/94/385597794.db2.gz XBOPWRVNKPSTHH-UWVGGRQHSA-N 0 3 241.281 2.358 10 0 BEAEHN COC(=O)[C@H]1CCCCCN1C(C)(C)C ZINC000260019334 385649624 /nfs/dbraw/zinc/64/96/24/385649624.db2.gz JYDOLDNORDMGGB-SNVBAGLBSA-N 0 3 213.321 2.203 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCCC[C@H]2CO)o1 ZINC000230197255 385717472 /nfs/dbraw/zinc/71/74/72/385717472.db2.gz JRQILWXUUHRMCA-SMDDNHRTSA-N 0 3 237.343 2.483 10 0 BEAEHN Cc1nnc2n1CCC[C@H]2N[C@@H](C)C(C)C ZINC000309644667 385768037 /nfs/dbraw/zinc/76/80/37/385768037.db2.gz VPAHFVIJAALQRK-GXSJLCMTSA-N 0 3 222.336 2.056 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1ccccn1 ZINC000231634804 385809371 /nfs/dbraw/zinc/80/93/71/385809371.db2.gz PRMXIGTZMDONRN-SCRDCRAPSA-N 0 3 234.343 2.283 10 0 BEAEHN CSc1ncc(Br)cc1CN ZINC000307616461 386019398 /nfs/dbraw/zinc/01/93/98/386019398.db2.gz SSWSWBPFYFBLTA-UHFFFAOYSA-N 0 3 233.134 2.025 10 0 BEAEHN CC(C)C(C)(C)CNCc1nccn1C ZINC000218976648 386108905 /nfs/dbraw/zinc/10/89/05/386108905.db2.gz XGUGMXKRINBMOJ-UHFFFAOYSA-N 0 3 209.337 2.192 10 0 BEAEHN C[C@H]1SCCC[C@@]1(N)c1cscn1 ZINC000575566331 386079944 /nfs/dbraw/zinc/07/99/44/386079944.db2.gz ULXJXOJWLOJOLA-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@H]1SCCC[C@@]1(N)c1cncs1 ZINC000575567513 386092854 /nfs/dbraw/zinc/09/28/54/386092854.db2.gz YAAVYLBVCXTDDN-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1cc([C@]2(N)CS[C@@H](C)C2)sn1 ZINC000575572820 386155871 /nfs/dbraw/zinc/15/58/71/386155871.db2.gz QOMMISYIFJATOD-IONNQARKSA-N 0 3 214.359 2.131 10 0 BEAEHN CCCN(CC(C)C)C(=O)[C@@]1(C)CCCCN1 ZINC000310356674 386173390 /nfs/dbraw/zinc/17/33/90/386173390.db2.gz QZEDXYAEJYYXDH-CQSZACIVSA-N 0 3 240.391 2.413 10 0 BEAEHN CCC[C@H](C)CN1CCC[C@@]1(C)C(=O)OC ZINC000189993300 386140082 /nfs/dbraw/zinc/14/00/82/386140082.db2.gz GDEXZYJYQSHGMN-AAEUAGOBSA-N 0 3 227.348 2.450 10 0 BEAEHN Cc1ccc(CNC2=NCCCS2)o1 ZINC000053040753 386200199 /nfs/dbraw/zinc/20/01/99/386200199.db2.gz CGHQWQLKUPHOEG-UHFFFAOYSA-N 0 3 210.302 2.171 10 0 BEAEHN C[C@@H](N[C@@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787754 386298358 /nfs/dbraw/zinc/29/83/58/386298358.db2.gz YPFCJDTZJWGBEP-ZYHUDNBSSA-N 0 3 234.347 2.281 10 0 BEAEHN Cc1cnn(CCNCc2cc(F)ccc2C)c1 ZINC000226509680 386322627 /nfs/dbraw/zinc/32/26/27/386322627.db2.gz BVYXZTHVPWVFQV-UHFFFAOYSA-N 0 3 247.317 2.429 10 0 BEAEHN CN(C)c1ccc(F)c(Cl)c1CN ZINC000575583785 386266041 /nfs/dbraw/zinc/26/60/41/386266041.db2.gz MOPRMXLXUKCJLO-UHFFFAOYSA-N 0 3 202.660 2.004 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cccc(OC)n1 ZINC000276616274 386354223 /nfs/dbraw/zinc/35/42/23/386354223.db2.gz JZWUJBQJKIYBSU-PWSUYJOCSA-N 0 3 220.316 2.368 10 0 BEAEHN C[C@H](O)CCN1CCC(c2nccs2)CC1 ZINC000336688864 386354260 /nfs/dbraw/zinc/35/42/60/386354260.db2.gz YXXXBYCLQLXJHC-JTQLQIEISA-N 0 3 240.372 2.093 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366344215 386379011 /nfs/dbraw/zinc/37/90/11/386379011.db2.gz FFARPEPLDYMTHL-IJLUTSLNSA-N 0 3 238.375 2.151 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1c(C)nn(C)c1C ZINC000165032245 386496996 /nfs/dbraw/zinc/49/69/96/386496996.db2.gz GMLUKWFFMOCGNS-AAEUAGOBSA-N 0 3 221.348 2.315 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000519613927 386510925 /nfs/dbraw/zinc/51/09/25/386510925.db2.gz NLMSQBBXOWQJIH-MROQNXINSA-N 0 3 238.375 2.069 10 0 BEAEHN COC(=O)c1coc(CNC2CCCCC2)c1 ZINC000135411824 386511514 /nfs/dbraw/zinc/51/15/14/386511514.db2.gz KKOVEVSGRLAIBI-UHFFFAOYSA-N 0 3 237.299 2.489 10 0 BEAEHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1cccs1 ZINC000399218036 386458378 /nfs/dbraw/zinc/45/83/78/386458378.db2.gz BAIYQTIRDMGEIX-KCJUWKMLSA-N 0 3 238.356 2.053 10 0 BEAEHN COc1ccccc1CN1C[C@H](O)CC[C@@H]1C ZINC000399227398 386462405 /nfs/dbraw/zinc/46/24/05/386462405.db2.gz ZJVUSJMMXVBCKC-WCQYABFASA-N 0 3 235.327 2.040 10 0 BEAEHN Cc1ccc(CNCC2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000414450570 386532450 /nfs/dbraw/zinc/53/24/50/386532450.db2.gz XYZCPRKMPIARKP-VXGBXAGGSA-N 0 3 249.358 2.078 10 0 BEAEHN C[C@]1(C(=O)N2CCCCCCC2)CCCCN1 ZINC000136135439 386570927 /nfs/dbraw/zinc/57/09/27/386570927.db2.gz KBBXDTILYOJGDR-CQSZACIVSA-N 0 3 238.375 2.311 10 0 BEAEHN CC(C)(N)c1cn(CCC2CCCC2)nn1 ZINC000300718532 386608695 /nfs/dbraw/zinc/60/86/95/386608695.db2.gz AKXHFRBCTXXCGC-UHFFFAOYSA-N 0 3 222.336 2.052 10 0 BEAEHN Cc1nc([C@@H](N)[C@H]2CCSC2)cs1 ZINC000307496334 386687668 /nfs/dbraw/zinc/68/76/68/386687668.db2.gz RPEGVSIKKLCNOO-CBAPKCEASA-N 0 3 214.359 2.204 10 0 BEAEHN Cc1nc([C@@H](N)[C@@H]2CCSC2)cs1 ZINC000307496333 386689811 /nfs/dbraw/zinc/68/98/11/386689811.db2.gz RPEGVSIKKLCNOO-APPZFPTMSA-N 0 3 214.359 2.204 10 0 BEAEHN Cc1c(CN[C@H]2CCCC(F)(F)C2)cnn1C ZINC000334148472 386747014 /nfs/dbraw/zinc/74/70/14/386747014.db2.gz GDYRCWCLUTWYPB-NSHDSACASA-N 0 3 243.301 2.396 10 0 BEAEHN O=C(CN1CCC[C@@]2(CC=CCC2)C1)NC1CC1 ZINC000114493787 386791268 /nfs/dbraw/zinc/79/12/68/386791268.db2.gz IYBQYYDOLWUIEP-HNNXBMFYSA-N 0 3 248.370 2.087 10 0 BEAEHN OC[C@H]1Cc2occc2[C@@H](C2CCCCC2)N1 ZINC000575407939 387009378 /nfs/dbraw/zinc/00/93/78/387009378.db2.gz VVWZIFXAGMUNLB-BXUZGUMPSA-N 0 3 235.327 2.408 10 0 BEAEHN Fc1ccc2c(c1Br)OCCNC2 ZINC000575576992 387028958 /nfs/dbraw/zinc/02/89/58/387028958.db2.gz OAGYYLQVVMJIBL-UHFFFAOYSA-N 0 3 246.079 2.070 10 0 BEAEHN COc1ncccc1CN[C@H](C)[C@@H]1C[C@H]1C ZINC000322334494 259705218 /nfs/dbraw/zinc/70/52/18/259705218.db2.gz PPHOGBXIRGDWAV-CKYFFXLPSA-N 0 3 220.316 2.224 10 0 BEAEHN Clc1cnccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000334994940 387085728 /nfs/dbraw/zinc/08/57/28/387085728.db2.gz WOKSOHVGAZCUCD-AOOOYVTPSA-N 0 3 237.734 2.066 10 0 BEAEHN CC(C)N1C[C@H](C)[C@H](NCc2ccco2)C1 ZINC000228275977 387086537 /nfs/dbraw/zinc/08/65/37/387086537.db2.gz OIVJWASEHOGFHN-WCQYABFASA-N 0 3 222.332 2.098 10 0 BEAEHN COc1cccc([C@@H](N)CC(F)F)c1F ZINC000575437202 387104153 /nfs/dbraw/zinc/10/41/53/387104153.db2.gz AIKWWMQMJKMWMV-ZETCQYMHSA-N 0 3 219.206 2.489 10 0 BEAEHN CCN(C[C@H](C)CS(C)(=O)=O)[C@@H](C)C(C)C ZINC000119211400 387109285 /nfs/dbraw/zinc/10/92/85/387109285.db2.gz CLUZNUINGHEWTA-RYUDHWBXSA-N 0 3 249.420 2.034 10 0 BEAEHN CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C(C)C ZINC000119211269 387109474 /nfs/dbraw/zinc/10/94/74/387109474.db2.gz CLUZNUINGHEWTA-NEPJUHHUSA-N 0 3 249.420 2.034 10 0 BEAEHN COc1ccccc1[C@@H](N)CC(F)F ZINC000575437777 387110875 /nfs/dbraw/zinc/11/08/75/387110875.db2.gz UEHSTOIZSXNQML-QMMMGPOBSA-N 0 3 201.216 2.350 10 0 BEAEHN COc1c(F)cccc1[C@H](N)CC(F)F ZINC000575437860 387111462 /nfs/dbraw/zinc/11/14/62/387111462.db2.gz WVMWPGRSZNAODY-MRVPVSSYSA-N 0 3 219.206 2.489 10 0 BEAEHN COc1cc([C@H]([NH3+])CCF)cc(Cl)c1[O-] ZINC000575439217 387121717 /nfs/dbraw/zinc/12/17/17/387121717.db2.gz QBDNZBCHSFWKFX-MRVPVSSYSA-N 0 3 233.670 2.414 10 0 BEAEHN CC1CCN(c2nc3c(s2)CNCC3)CC1 ZINC000086662861 387153516 /nfs/dbraw/zinc/15/35/16/387153516.db2.gz MJJFLAPNOSVOJX-UHFFFAOYSA-N 0 3 237.372 2.025 10 0 BEAEHN C[C@@H]1C[C@@H](c2ccccc2)C[C@H](O)N1C ZINC000536949854 387160613 /nfs/dbraw/zinc/16/06/13/387160613.db2.gz GMAAEVUSVBNALE-RTXFEEFZSA-N 0 3 205.301 2.203 10 0 BEAEHN OCC[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000229350606 387164674 /nfs/dbraw/zinc/16/46/74/387164674.db2.gz OWIVLJPMCWGBQQ-GFCCVEGCSA-N 0 3 242.322 2.444 10 0 BEAEHN COCCn1ccnc1[C@H]1NCC12CCCCC2 ZINC000536953233 387166081 /nfs/dbraw/zinc/16/60/81/387166081.db2.gz GSXNRMNPCJKXKS-GFCCVEGCSA-N 0 3 249.358 2.124 10 0 BEAEHN CC(C)[C@@H](C)c1nc2n(c1CN)CCCC2 ZINC000536956039 387169029 /nfs/dbraw/zinc/16/90/29/387169029.db2.gz WVUNNJAMWFTDCM-SNVBAGLBSA-N 0 3 221.348 2.438 10 0 BEAEHN N[C@@H](CCF)c1c(F)cc(F)cc1F ZINC000575440504 387134854 /nfs/dbraw/zinc/13/48/54/387134854.db2.gz ZZHOFJZIRAFKAJ-QMMMGPOBSA-N 0 3 207.170 2.463 10 0 BEAEHN Cc1ncc([C@H](N)[C@@H]2CCSC2)s1 ZINC000575491562 387276725 /nfs/dbraw/zinc/27/67/25/387276725.db2.gz XQHLUWLDVGSQSO-VXNVDRBHSA-N 0 3 214.359 2.204 10 0 BEAEHN Cc1cnn(CCNCc2csc(C)c2)c1 ZINC000285831718 387281251 /nfs/dbraw/zinc/28/12/51/387281251.db2.gz ISNOKNGDJMWWNS-UHFFFAOYSA-N 0 3 235.356 2.351 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cncc(Br)c1 ZINC000160574122 387306831 /nfs/dbraw/zinc/30/68/31/387306831.db2.gz QPOJDJFRQPEENE-GMSGAONNSA-N 0 3 241.132 2.342 10 0 BEAEHN Cc1nn(CC(F)(F)F)cc1CNC(C)C ZINC000575601698 387361428 /nfs/dbraw/zinc/36/14/28/387361428.db2.gz BGVUMTIJZUAHRU-UHFFFAOYSA-N 0 3 235.253 2.252 10 0 BEAEHN C[C@@H]1C[C@]2(CC(=O)CO2)CN1Cc1ccccc1 ZINC000575500834 387348151 /nfs/dbraw/zinc/34/81/51/387348151.db2.gz XQLUEJIOSCQJQY-DOMZBBRYSA-N 0 3 245.322 2.009 10 0 BEAEHN CCOc1ccccc1CN(C)[C@H]1CCC[C@H]1O ZINC000352668925 387429240 /nfs/dbraw/zinc/42/92/40/387429240.db2.gz VYQKUVSMIQQDCG-UONOGXRCSA-N 0 3 249.354 2.431 10 0 BEAEHN c1ccc(O[C@H]2COCCN(C3CCC3)C2)cc1 ZINC000077265829 387450277 /nfs/dbraw/zinc/45/02/77/387450277.db2.gz QSDWUWOYZQJXKC-OAHLLOKOSA-N 0 3 247.338 2.319 10 0 biogenic BEAEHN CCCC(CCC)C(=O)N1CC[C@H](N(C)C)C1 ZINC000121680523 387392940 /nfs/dbraw/zinc/39/29/40/387392940.db2.gz SSEABFFGVUMHDJ-ZDUSSCGKSA-N 0 3 240.391 2.365 10 0 BEAEHN CC(=O)CCN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106211800 387526214 /nfs/dbraw/zinc/52/62/14/387526214.db2.gz ALVOVUBWVAQRQL-CYBMUJFWSA-N 0 3 249.358 2.153 10 0 BEAEHN CC(C)C(=O)N1CCCN(CC(C)(C)C)CC1 ZINC000123632608 387589089 /nfs/dbraw/zinc/58/90/89/387589089.db2.gz TYCHZXKGBXROBS-UHFFFAOYSA-N 0 3 240.391 2.223 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H]1O)c1ccccc1F ZINC000042237117 387623282 /nfs/dbraw/zinc/62/32/82/387623282.db2.gz OYBIMPCVGUEGGD-BIMULSAOSA-N 0 3 223.291 2.390 10 0 BEAEHN C/C(=C/Br)[C@H]1CCCCN1 ZINC000575545578 387627833 /nfs/dbraw/zinc/62/78/33/387627833.db2.gz MPBHJBWAXICQGP-NFXKFNAJSA-N 0 3 204.111 2.427 10 0 BEAEHN C[C@@H]1OCC[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284198476 387577244 /nfs/dbraw/zinc/57/72/44/387577244.db2.gz BPJZJYPCCVRPDD-CMPLNLGQSA-N 0 3 249.358 2.041 10 0 BEAEHN NC1(c2c(F)cccc2Cl)CSC1 ZINC000575548061 387642807 /nfs/dbraw/zinc/64/28/07/387642807.db2.gz APIWGTBWKYXXFC-UHFFFAOYSA-N 0 3 217.696 2.380 10 0 BEAEHN Cc1ncc([C@@]2(N)CS[C@@H](C)C2)s1 ZINC000575573109 387754471 /nfs/dbraw/zinc/75/44/71/387754471.db2.gz SRQJFTXUKPYILB-RCOVLWMOSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@@H]1OCC[C@]1(N)c1ccc(Cl)s1 ZINC000575560689 387699686 /nfs/dbraw/zinc/69/96/86/387699686.db2.gz LKZHTBPBOVNCGZ-IMTBSYHQSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@H]1OCC[C@@]1(N)c1ccsc1Cl ZINC000575559572 387701266 /nfs/dbraw/zinc/70/12/66/387701266.db2.gz IMYCYVDQVMPZJB-MUWHJKNJSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@H]1OCC[C@]1(N)c1ccsc1Cl ZINC000575559570 387702129 /nfs/dbraw/zinc/70/21/29/387702129.db2.gz IMYCYVDQVMPZJB-HZGVNTEJSA-N 0 3 217.721 2.364 10 0 BEAEHN Cc1ccc2c(c1)[C@@H](N[C@H](C)CO)CCCO2 ZINC000129341792 387768648 /nfs/dbraw/zinc/76/86/48/387768648.db2.gz KNOWMQAQNCQSNC-YPMHNXCESA-N 0 3 235.327 2.179 10 0 BEAEHN CC(C)(C)OC(=O)[C@@](C)(CN)c1ccccc1 ZINC000390821985 387839972 /nfs/dbraw/zinc/83/99/72/387839972.db2.gz WIOFDFKVQCVYNS-AWEZNQCLSA-N 0 3 235.327 2.245 10 0 BEAEHN Cc1ncc(CN2CCC[C@H]2CCCO)s1 ZINC000062337300 387853902 /nfs/dbraw/zinc/85/39/02/387853902.db2.gz PYWKIBSICADPAH-NSHDSACASA-N 0 3 240.372 2.188 10 0 BEAEHN Cc1nc(CN[C@@H](C)c2ccccc2C)n[nH]1 ZINC000293128038 387858645 /nfs/dbraw/zinc/85/86/45/387858645.db2.gz LDDUXMIZLBALFC-JTQLQIEISA-N 0 3 230.315 2.272 10 0 BEAEHN Cc1csc([C@@H]2CCCN(CCCO)C2)n1 ZINC000195441148 387917020 /nfs/dbraw/zinc/91/70/20/387917020.db2.gz MHQGQNKEILKEFH-LLVKDONJSA-N 0 3 240.372 2.013 10 0 BEAEHN Cc1occc1CN[C@H]1CCCC[C@H]1CO ZINC000321014206 387930631 /nfs/dbraw/zinc/93/06/31/387930631.db2.gz UZJWFYOFFGUYBS-STQMWFEESA-N 0 3 223.316 2.229 10 0 BEAEHN C[C@H](N)c1nc2ccccc2n1C[C@H]1CCCO1 ZINC000053994559 387976216 /nfs/dbraw/zinc/97/62/16/387976216.db2.gz CUASCTAGWGEWSG-WDEREUQCSA-N 0 3 245.326 2.235 10 0 BEAEHN COCCCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000245872900 387989378 /nfs/dbraw/zinc/98/93/78/387989378.db2.gz XCCGVGOTAFCVGT-KGLIPLIRSA-N 0 3 241.375 2.447 10 0 BEAEHN CCc1ccc([C@H]2CN[C@H](C)CO2)s1 ZINC000041062364 388018222 /nfs/dbraw/zinc/01/82/22/388018222.db2.gz DJPFIRLDTDXPQH-PSASIEDQSA-N 0 3 211.330 2.360 10 0 BEAEHN C1=C(CN2CCN3CCCC[C@@H]3C2)CCC1 ZINC000645828808 388040816 /nfs/dbraw/zinc/04/08/16/388040816.db2.gz AYEBEUVOUCRUNN-CQSZACIVSA-N 0 3 220.360 2.267 10 0 BEAEHN CC[C@H](C)[C@H](C)N[C@H]1CCCn2nc(C)nc21 ZINC000246280739 388026663 /nfs/dbraw/zinc/02/66/63/388026663.db2.gz BNDNFGLXJLRDRR-NHCYSSNCSA-N 0 3 236.363 2.446 10 0 BEAEHN c1ncn([C@@H]2CCCN([C@@H]3C=CCCC3)C2)n1 ZINC000246282165 388028077 /nfs/dbraw/zinc/02/80/77/388028077.db2.gz SQOSOKJVZSZJFB-CHWSQXEVSA-N 0 3 232.331 2.024 10 0 BEAEHN CN[C@H](C)C(=O)c1cc(C)c(C)cc1C ZINC000071509769 388096170 /nfs/dbraw/zinc/09/61/70/388096170.db2.gz LADJRHTVATTWAT-LLVKDONJSA-N 0 3 205.301 2.402 10 0 BEAEHN COC[C@H](N)c1cc(Br)cs1 ZINC000071546911 388098038 /nfs/dbraw/zinc/09/80/38/388098038.db2.gz VECGXKPVWFXFKF-LURJTMIESA-N 0 3 236.134 2.157 10 0 BEAEHN NCc1nccc2c(F)cc(Cl)cc21 ZINC000521402256 256517333 /nfs/dbraw/zinc/51/73/33/256517333.db2.gz ZCAHTTPOMSEYJR-UHFFFAOYSA-N 0 3 210.639 2.486 10 0 BEAEHN CCc1ccc(CN[C@H]2CCO[C@@H]2C)o1 ZINC000134244521 388474999 /nfs/dbraw/zinc/47/49/99/388474999.db2.gz JHHJYYSPTNLXSM-SKDRFNHKSA-N 0 3 209.289 2.109 10 0 BEAEHN CCOCCn1c2ccccc2nc1[C@@H](C)N ZINC000040163833 388412582 /nfs/dbraw/zinc/41/25/82/388412582.db2.gz QOHMKQMCRRAWEX-SNVBAGLBSA-N 0 3 233.315 2.093 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1ccnn1C ZINC000219286412 388590344 /nfs/dbraw/zinc/59/03/44/388590344.db2.gz SNXPXHDBJZAWSI-HBNTYKKESA-N 0 3 207.321 2.259 10 0 BEAEHN CSC[C@H](N)c1cc(F)ccc1F ZINC000055243544 388597241 /nfs/dbraw/zinc/59/72/41/388597241.db2.gz TWTCYZOGLONYMM-VIFPVBQESA-N 0 3 203.257 2.328 10 0 BEAEHN N[C@H](c1ccccc1)[C@@H](O)C1CCCC1 ZINC000054682287 388605489 /nfs/dbraw/zinc/60/54/89/388605489.db2.gz BMKCSBKAXSWVAK-OLZOCXBDSA-N 0 3 205.301 2.238 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CCO[C@H]2C)o1 ZINC000245940231 388611309 /nfs/dbraw/zinc/61/13/09/388611309.db2.gz MFRQYIAOTVKKAT-GARJFASQSA-N 0 3 209.289 2.416 10 0 BEAEHN COc1cccc([C@H](N)CC(F)F)c1F ZINC000575437201 388621184 /nfs/dbraw/zinc/62/11/84/388621184.db2.gz AIKWWMQMJKMWMV-SSDOTTSWSA-N 0 3 219.206 2.489 10 0 BEAEHN COc1ccc([C@@H](N)CC(F)F)c(F)c1 ZINC000575439342 388627193 /nfs/dbraw/zinc/62/71/93/388627193.db2.gz RYRCUIJVKQPAGF-VIFPVBQESA-N 0 3 219.206 2.489 10 0 BEAEHN CCC[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000246434125 388637142 /nfs/dbraw/zinc/63/71/42/388637142.db2.gz BMZHEDXHJHGCSP-JHJVBQTASA-N 0 3 240.391 2.221 10 0 BEAEHN Cc1cccc(CN[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000127301680 388720760 /nfs/dbraw/zinc/72/07/60/388720760.db2.gz NUGHEASZROADOM-TZMCWYRMSA-N 0 3 245.370 2.105 10 0 BEAEHN NC[C@H](O)c1cc(Cl)cc(Cl)c1F ZINC000575498071 388989501 /nfs/dbraw/zinc/98/95/01/388989501.db2.gz RCUOUBFAKCYOQV-ZETCQYMHSA-N 0 3 224.062 2.125 10 0 BEAEHN C[C@@H]1[C@@H](C)CCCN1c1ccnc(CN)c1 ZINC000051396021 132359977 /nfs/dbraw/zinc/35/99/77/132359977.db2.gz FROVZDXINZKCEI-WDEREUQCSA-N 0 3 219.332 2.165 10 0 BEAEHN Cc1cc([C@H](C)NCC2CC(O)C2)c(C)o1 ZINC000084447615 322836052 /nfs/dbraw/zinc/83/60/52/322836052.db2.gz DIBQOQFMBVYZIJ-GCVQQVDUSA-N 0 3 223.316 2.318 10 0 BEAEHN Cc1ccc(N2CCNCC2)c2occc21 ZINC000013741470 132244071 /nfs/dbraw/zinc/24/40/71/132244071.db2.gz UCNFTIGXPRJLHU-UHFFFAOYSA-N 0 3 216.284 2.151 10 0 BEAEHN Cc1ccc(N2CCN[C@@H](C)C2)c(C)c1 ZINC000016944752 132323740 /nfs/dbraw/zinc/32/37/40/132323740.db2.gz TVUHNTABQMFNFU-LBPRGKRZSA-N 0 3 204.317 2.102 10 0 BEAEHN C[C@H]1C[C@H](C)CN(c2ncccc2CN)C1 ZINC000022169125 132332353 /nfs/dbraw/zinc/33/23/53/132332353.db2.gz JTSAUHPRADRHPT-QWRGUYRKSA-N 0 3 219.332 2.023 10 0 BEAEHN CN1c2ccccc2[C@H](NCC2CC2)CC1=O ZINC000037187383 132343591 /nfs/dbraw/zinc/34/35/91/132343591.db2.gz OIXRTWAWNSVHRK-GFCCVEGCSA-N 0 3 230.311 2.094 10 0 BEAEHN C[C@H](N[C@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259671 132344114 /nfs/dbraw/zinc/34/41/14/132344114.db2.gz XIJKYBJRCUTBMO-GWCFXTLKSA-N 0 3 244.338 2.482 10 0 BEAEHN C[C@@H]1CN(c2ccc(Cl)cc2)CCN1 ZINC000039274038 132350867 /nfs/dbraw/zinc/35/08/67/132350867.db2.gz UECHCFXEJKAZEX-SECBINFHSA-N 0 3 210.708 2.138 10 0 BEAEHN NCc1nc(N2CCCCC2)ccc1Cl ZINC000051396455 132360210 /nfs/dbraw/zinc/36/02/10/132360210.db2.gz XQIMGXXJRHMTQL-UHFFFAOYSA-N 0 3 225.723 2.184 10 0 BEAEHN C[C@H]1COCCN1c1ccc(Cl)cc1CN ZINC000052856750 132362640 /nfs/dbraw/zinc/36/26/40/132362640.db2.gz RXPCKSGYMRZTCD-VIFPVBQESA-N 0 3 240.734 2.024 10 0 BEAEHN CC[C@H](C)N1CCN(c2ccc(CO)cc2)CC1 ZINC000055067961 132365261 /nfs/dbraw/zinc/36/52/61/132365261.db2.gz YHQRJVNIEBMUPQ-ZDUSSCGKSA-N 0 3 248.370 2.099 10 0 BEAEHN C[C@@H]1COCCN1c1cc(Cl)ccc1CN ZINC000062786801 132388791 /nfs/dbraw/zinc/38/87/91/132388791.db2.gz CMEJYXRHWLPVOB-SECBINFHSA-N 0 3 240.734 2.024 10 0 BEAEHN CCC1(CC)CCN(c2ccc(CN)nn2)CC1 ZINC000062957685 132388883 /nfs/dbraw/zinc/38/88/83/132388883.db2.gz HENKQPCDKRLSOX-UHFFFAOYSA-N 0 3 248.374 2.342 10 0 BEAEHN O=C(CC1CC1)Nc1cccc2c1CNCC2 ZINC000167389723 133969540 /nfs/dbraw/zinc/96/95/40/133969540.db2.gz PCVNPYMIYXTDSQ-UHFFFAOYSA-N 0 3 230.311 2.071 10 0 BEAEHN CC(C)(C)[C@H](O)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000216976095 134187680 /nfs/dbraw/zinc/18/76/80/134187680.db2.gz XZTVKXLLPWCRJM-JHJVBQTASA-N 0 3 241.375 2.037 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)C1CCC1 ZINC000178415584 134310066 /nfs/dbraw/zinc/31/00/66/134310066.db2.gz YGXTWEQKSKQTFM-CMPLNLGQSA-N 0 3 248.374 2.454 10 0 BEAEHN Cc1cnn([C@H]2CCCN(Cc3cc[nH]c3)C2)c1 ZINC000179544431 134321440 /nfs/dbraw/zinc/32/14/40/134321440.db2.gz IHYIFIPTQFNVPO-AWEZNQCLSA-N 0 3 244.342 2.357 10 0 BEAEHN c1cnn(CC2CCN(Cc3cc[nH]c3)CC2)c1 ZINC000179531931 134321595 /nfs/dbraw/zinc/32/15/95/134321595.db2.gz NQSTYQSEKXJLKZ-UHFFFAOYSA-N 0 3 244.342 2.123 10 0 BEAEHN COCC[C@H](C)N[C@@H]1COc2ccccc21 ZINC000070068801 134974731 /nfs/dbraw/zinc/97/47/31/134974731.db2.gz SJWVCFQWSGPKMU-CMPLNLGQSA-N 0 3 221.300 2.135 10 0 BEAEHN CCC[C@@H](C)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000250345982 135053000 /nfs/dbraw/zinc/05/30/00/135053000.db2.gz YFUVQONUIWLISS-OLZOCXBDSA-N 0 3 238.375 2.119 10 0 BEAEHN C[C@@H](CC(=O)N1C[C@@H](C)NC[C@H]1C)C(C)(C)C ZINC000251848190 135079004 /nfs/dbraw/zinc/07/90/04/135079004.db2.gz RDNMQVYIYNJKQW-QJPTWQEYSA-N 0 3 240.391 2.268 10 0 BEAEHN C[C@@H]1C[C@@H]1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000252948209 135117716 /nfs/dbraw/zinc/11/77/16/135117716.db2.gz AYGWJNLOXCBQPV-XJFOESAGSA-N 0 3 222.376 2.201 10 0 BEAEHN C[C@H](NC[C@H]1CCC[C@H]1O)c1cncc(F)c1 ZINC000268898156 135364045 /nfs/dbraw/zinc/36/40/45/135364045.db2.gz BYWDKQONGMCVIE-OPQQBVKSSA-N 0 3 238.306 2.032 10 0 BEAEHN CC[C@@](CO)(NC)c1cccc(Cl)c1 ZINC000038121088 171193027 /nfs/dbraw/zinc/19/30/27/171193027.db2.gz UWABUZDACBXKHX-NSHDSACASA-N 0 3 213.708 2.157 10 0 BEAEHN Cc1ccoc1CN[C@@H]1CCCC[C@H]1CO ZINC000164623106 397795039 /nfs/dbraw/zinc/79/50/39/397795039.db2.gz MZCHSZXNHIHNNQ-NWDGAFQWSA-N 0 3 223.316 2.229 10 0 BEAEHN Cc1ccoc1CN[C@@H]1CCCC[C@@H]1CO ZINC000164622881 397795095 /nfs/dbraw/zinc/79/50/95/397795095.db2.gz MZCHSZXNHIHNNQ-VXGBXAGGSA-N 0 3 223.316 2.229 10 0 BEAEHN CCN1CCO[C@H](c2ccc(CCO)cc2)CC1 ZINC000616686225 397927290 /nfs/dbraw/zinc/92/72/90/397927290.db2.gz GZECFHPKMZILAG-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN C[C@@H](NC[C@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550859 397966594 /nfs/dbraw/zinc/96/65/94/397966594.db2.gz ZXIYVLSDDBRGRI-MWLCHTKSSA-N 0 3 238.306 2.238 10 0 BEAEHN CC1(C)C[C@@]1(N)c1ccc(Br)cn1 ZINC000575592502 397992115 /nfs/dbraw/zinc/99/21/15/397992115.db2.gz VIDLPJNULYYWDN-SNVBAGLBSA-N 0 3 241.132 2.428 10 0 BEAEHN C[C@@H]1CCC[C@@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000383871785 398046875 /nfs/dbraw/zinc/04/68/75/398046875.db2.gz HXNNPKXASTWRBZ-GHMZBOCLSA-N 0 3 236.363 2.298 10 0 BEAEHN Fc1ccc2c(c1)[C@@H](NCC1CC1)CN2 ZINC000211929575 398051112 /nfs/dbraw/zinc/05/11/12/398051112.db2.gz LZHAJMFUXAYGBP-LBPRGKRZSA-N 0 3 206.264 2.292 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnc(OC)s1 ZINC000389738860 398131393 /nfs/dbraw/zinc/13/13/93/398131393.db2.gz VFNILYXJJLULSH-WCBMZHEXSA-N 0 3 226.345 2.430 10 0 BEAEHN CC(C)NCc1nc2c(s1)CSCC2 ZINC000053295588 167120816 /nfs/dbraw/zinc/12/08/16/167120816.db2.gz DMTWEUYXFAWMMA-UHFFFAOYSA-N 0 3 228.386 2.430 10 0 BEAEHN CC(C)N[C@@](C)(CO)c1ccccc1F ZINC000038115619 167136556 /nfs/dbraw/zinc/13/65/56/167136556.db2.gz GVDMZXNUUPLKIZ-LBPRGKRZSA-N 0 3 211.280 2.031 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C2CCC2)n1 ZINC000119644333 487558526 /nfs/dbraw/zinc/55/85/26/487558526.db2.gz IMSRAUCCAVLYDH-JTQLQIEISA-N 0 3 220.316 2.374 10 0 BEAEHN CC[C@@H](NCc1cncs1)[C@H]1CCCO1 ZINC000119665443 487559817 /nfs/dbraw/zinc/55/98/17/487559817.db2.gz REQYKAASJGJMEG-GHMZBOCLSA-N 0 3 226.345 2.190 10 0 BEAEHN COc1cc(C)ccc1[C@H](C)NC1CC(CO)C1 ZINC000658350113 487590641 /nfs/dbraw/zinc/59/06/41/487590641.db2.gz BEAAHXRQHNWPNN-HIFPTAJRSA-N 0 3 249.354 2.425 10 0 BEAEHN CC(C)Oc1ccc(CN[C@@H](C)CO)cc1F ZINC000098126654 167294948 /nfs/dbraw/zinc/29/49/48/167294948.db2.gz MEFOCOUPRRSILS-JTQLQIEISA-N 0 3 241.306 2.083 10 0 BEAEHN CC(C)Oc1ccc(OC2CC2)cc1CN ZINC000095737698 167297250 /nfs/dbraw/zinc/29/72/50/167297250.db2.gz KOFKQZRYUGEFIM-UHFFFAOYSA-N 0 3 221.300 2.474 10 0 BEAEHN Cc1cc(CNCC2(O)CCCCCC2)on1 ZINC000044991177 409871972 /nfs/dbraw/zinc/87/19/72/409871972.db2.gz PMLCIOMYNRYZJW-UHFFFAOYSA-N 0 3 238.331 2.158 10 0 BEAEHN Brc1ccc([C@H]2CNCO2)cc1 ZINC000071533577 166100281 /nfs/dbraw/zinc/10/02/81/166100281.db2.gz AFQOOQJEIISINR-SECBINFHSA-N 0 3 228.089 2.068 10 0 BEAEHN Brc1cn(-c2ccncc2)cn1 ZINC000072193511 166104467 /nfs/dbraw/zinc/10/44/67/166104467.db2.gz PJXIRCBKCFIQDX-UHFFFAOYSA-N 0 3 224.061 2.030 10 0 BEAEHN CCN(CC)CC(=O)NC/C=C/c1ccccc1 ZINC000112672009 169766230 /nfs/dbraw/zinc/76/62/30/169766230.db2.gz QTVMKMUICBTEIQ-DHZHZOJOSA-N 0 3 246.354 2.158 10 0 BEAEHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](N)C1 ZINC000082048300 166658749 /nfs/dbraw/zinc/65/87/49/166658749.db2.gz UQVRIGBITJSZJX-GFCCVEGCSA-N 0 3 248.326 2.437 10 0 BEAEHN Cc1cnc(CNCC[C@@H]2CCCO2)s1 ZINC000394727949 410818766 /nfs/dbraw/zinc/81/87/66/410818766.db2.gz LBHGLUVRWJAKAS-JTQLQIEISA-N 0 3 226.345 2.110 10 0 BEAEHN CC(C)CNCc1nc2c(cccc2F)[nH]1 ZINC000062742468 167009634 /nfs/dbraw/zinc/00/96/34/167009634.db2.gz IZMXJUTYWBPCIQ-UHFFFAOYSA-N 0 3 221.279 2.448 10 0 BEAEHN CC(C)CNCc1cnn(-c2ccccc2)n1 ZINC000020245921 167009821 /nfs/dbraw/zinc/00/98/21/167009821.db2.gz YVLGFLZTHVHVJP-UHFFFAOYSA-N 0 3 230.315 2.013 10 0 BEAEHN CC(C)NCc1c[nH]c(Cc2ccccc2)n1 ZINC000062821262 167116122 /nfs/dbraw/zinc/11/61/22/167116122.db2.gz GSJGOQRMKHUQNR-UHFFFAOYSA-N 0 3 229.327 2.499 10 0 BEAEHN CC(C)NCc1cnc(N2CC[C@H](C)C2)s1 ZINC000054905915 167121740 /nfs/dbraw/zinc/12/17/40/167121740.db2.gz DDWRMAZDFJSMKQ-JTQLQIEISA-N 0 3 239.388 2.487 10 0 BEAEHN CC(C)NCc1cnc(-c2ccccn2)nc1 ZINC000054856021 167121757 /nfs/dbraw/zinc/12/17/57/167121757.db2.gz SGWDWUHLZJMOLN-UHFFFAOYSA-N 0 3 228.299 2.037 10 0 BEAEHN CC(C)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000038115731 167132321 /nfs/dbraw/zinc/13/23/21/167132321.db2.gz RBBLEUAKMZQCRY-NSHDSACASA-N 0 3 213.708 2.371 10 0 BEAEHN CC(C)N[C@@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654449 167134666 /nfs/dbraw/zinc/13/46/66/167134666.db2.gz RAVHKCDGVSHINJ-SNVBAGLBSA-N 0 3 235.283 2.237 10 0 BEAEHN CC(C)OCCO[C@H]1Cc2ccccc2[C@@H]1N ZINC000019282833 167248968 /nfs/dbraw/zinc/24/89/68/167248968.db2.gz NKHKRQIQNKMOLD-KBPBESRZSA-N 0 3 235.327 2.053 10 0 BEAEHN CC(C)Oc1ccc(C(=O)[C@@H]2CCCN2)cc1 ZINC000041260912 167291157 /nfs/dbraw/zinc/29/11/57/167291157.db2.gz NECDVAJNFOFUJL-ZDUSSCGKSA-N 0 3 233.311 2.409 10 0 BEAEHN CC(C)Oc1ccc(OC2CC2)c(CN)c1 ZINC000095737936 167297170 /nfs/dbraw/zinc/29/71/70/167297170.db2.gz BTFCNJSRWWWPJL-UHFFFAOYSA-N 0 3 221.300 2.474 10 0 BEAEHN CC(C)Oc1ccccc1N1CCN[C@@H](C)C1 ZINC000077369617 167311509 /nfs/dbraw/zinc/31/15/09/167311509.db2.gz SFSATUNRGIYGJZ-LBPRGKRZSA-N 0 3 234.343 2.272 10 0 BEAEHN CC(C)Oc1nc(CN)cc2ccccc21 ZINC000051526511 167312337 /nfs/dbraw/zinc/31/23/37/167312337.db2.gz VEQUBUNEQKDTOL-UHFFFAOYSA-N 0 3 216.284 2.481 10 0 BEAEHN CC(C)[C@@H](C)NCc1cc(C(N)=O)ccc1F ZINC000020523407 167382255 /nfs/dbraw/zinc/38/22/55/167382255.db2.gz HDZGGQVXIRZMTJ-SECBINFHSA-N 0 3 238.306 2.059 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N(C)CCC(C)(C)C ZINC000399867611 411068128 /nfs/dbraw/zinc/06/81/28/411068128.db2.gz FGGJEDGHUISPLS-LLVKDONJSA-N 0 3 228.380 2.254 10 0 BEAEHN CC(C)n1ncnc1CN[C@H](C)C1CCC1 ZINC000124027018 411194630 /nfs/dbraw/zinc/19/46/30/411194630.db2.gz DJGMCBIXCJQMEU-SNVBAGLBSA-N 0 3 222.336 2.137 10 0 BEAEHN O=C(CCCN1CCCOCC1)c1ccccc1 ZINC000061919996 411200327 /nfs/dbraw/zinc/20/03/27/411200327.db2.gz KAJGQGSKRZRQJA-UHFFFAOYSA-N 0 3 247.338 2.372 10 0 BEAEHN CC(C)n1nccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000337202139 167794473 /nfs/dbraw/zinc/79/44/73/167794473.db2.gz GPCJYVNYSFHBCL-WCQYABFASA-N 0 3 237.347 2.121 10 0 BEAEHN CN1CCc2ccccc2[C@H]1c1ccnc(N)c1 ZINC000616585366 411292096 /nfs/dbraw/zinc/29/20/96/411292096.db2.gz PEBXOPYOIPCYEA-OAHLLOKOSA-N 0 3 239.322 2.071 10 0 BEAEHN CC(C)(C)c1ccc(Cn2cc(CN)nn2)cc1 ZINC000050224501 411254622 /nfs/dbraw/zinc/25/46/22/411254622.db2.gz MZNDTPBGNDCIMP-UHFFFAOYSA-N 0 3 244.342 2.083 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1cc(F)ccc1F ZINC000658350402 411352165 /nfs/dbraw/zinc/35/21/65/411352165.db2.gz DMQCLUJUPRNFSI-FKTRJACZSA-N 0 3 241.281 2.386 10 0 BEAEHN COc1ccc(C)cc1[C@@H](C)NC1CC(CO)C1 ZINC000658352094 411354625 /nfs/dbraw/zinc/35/46/25/411354625.db2.gz SKRXSDNGEJEIGF-PNESKVBLSA-N 0 3 249.354 2.425 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1cccc(F)c1 ZINC000658352061 411354632 /nfs/dbraw/zinc/35/46/32/411354632.db2.gz SCFVKCQGWFRFTE-JBLZRFIASA-N 0 3 223.291 2.247 10 0 BEAEHN CC1CCC(CO)(NCc2ccccn2)CC1 ZINC000053113528 168156475 /nfs/dbraw/zinc/15/64/75/168156475.db2.gz JDNAKRQBOBUPLW-UHFFFAOYSA-N 0 3 234.343 2.112 10 0 BEAEHN CC1CCC(NC(=O)[C@H]2CCC[C@@H](C)N2)CC1 ZINC000019506515 168162866 /nfs/dbraw/zinc/16/28/66/168162866.db2.gz HBGVDUCNWCTXBC-POOIEITISA-N 0 3 238.375 2.212 10 0 BEAEHN CC1CCN(C[C@@H](N)c2cccs2)CC1 ZINC000019821521 168182585 /nfs/dbraw/zinc/18/25/85/168182585.db2.gz OEQAKERCIGXHON-LLVKDONJSA-N 0 3 224.373 2.480 10 0 BEAEHN CC1CCN([C@@H]2COc3ccccc3[C@@H]2N)CC1 ZINC000019272110 168186095 /nfs/dbraw/zinc/18/60/95/168186095.db2.gz ODRLCXPWCDQCLZ-HIFRSBDPSA-N 0 3 246.354 2.179 10 0 BEAEHN CCC(C)(C)NCc1ccc(C(N)=O)cc1F ZINC000020036074 168298655 /nfs/dbraw/zinc/29/86/55/168298655.db2.gz PZDKETVUSJVWRB-UHFFFAOYSA-N 0 3 238.306 2.203 10 0 BEAEHN CCN1CCO[C@H](c2cccc(OC)c2)CC1 ZINC000616687285 411414847 /nfs/dbraw/zinc/41/48/47/411414847.db2.gz RWCVUADMGFVTSQ-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN Cc1cc(C(C)C)nc(NCCN(C)C2CC2)n1 ZINC000122442821 411432823 /nfs/dbraw/zinc/43/28/23/411432823.db2.gz PJSPPKODXIPHNH-UHFFFAOYSA-N 0 3 248.374 2.415 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1cc(F)ccc1C ZINC000061287666 170107571 /nfs/dbraw/zinc/10/75/71/170107571.db2.gz KGXSPYWZQIJTPB-UHFFFAOYSA-N 0 3 238.306 2.461 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1nc(C)c(C)s1 ZINC000061299030 170107801 /nfs/dbraw/zinc/10/78/01/170107801.db2.gz CMIHJYWHUMUVEY-UHFFFAOYSA-N 0 3 241.360 2.087 10 0 BEAEHN CCNC(C)(C)c1nnc(C2CCCC2)[nH]1 ZINC000061151998 170107846 /nfs/dbraw/zinc/10/78/46/170107846.db2.gz DEAWBTRCYBMEGZ-UHFFFAOYSA-N 0 3 222.336 2.307 10 0 BEAEHN CCNCc1c(N(C)C2CC2)nc2ccccn21 ZINC000035449110 170124140 /nfs/dbraw/zinc/12/41/40/170124140.db2.gz BJQOSKAXCUYMNI-UHFFFAOYSA-N 0 3 244.342 2.042 10 0 BEAEHN CCNCc1cc(C)ccc1O[C@@H]1CCC[C@@H]1O ZINC000071403909 170125200 /nfs/dbraw/zinc/12/52/00/170125200.db2.gz MSPQSAMPCBCCSI-DZGCQCFKSA-N 0 3 249.354 2.397 10 0 BEAEHN CCNCc1cc(Cl)cc(OC)c1OC ZINC000040722118 170125600 /nfs/dbraw/zinc/12/56/00/170125600.db2.gz VKLWKQFWTOBYNE-UHFFFAOYSA-N 0 3 229.707 2.467 10 0 BEAEHN CCNCc1cccc(-n2cc(Cl)cn2)n1 ZINC000051492414 170128398 /nfs/dbraw/zinc/12/83/98/170128398.db2.gz VTDFSFQQIYODLU-UHFFFAOYSA-N 0 3 236.706 2.030 10 0 BEAEHN CCNCc1cccc(N2CCC[C@H]2C)n1 ZINC000051398751 170128519 /nfs/dbraw/zinc/12/85/19/170128519.db2.gz AGIRDSNKILKSJJ-LLVKDONJSA-N 0 3 219.332 2.180 10 0 BEAEHN CCNCc1cnc(-c2ccncc2)s1 ZINC000040996619 170128887 /nfs/dbraw/zinc/12/88/87/170128887.db2.gz QQGPNPNTPXRUQI-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1ccnc(-c2ccc(OC)cc2)n1 ZINC000045206128 170129205 /nfs/dbraw/zinc/12/92/05/170129205.db2.gz UIFVFZRTVQYALG-UHFFFAOYSA-N 0 3 243.310 2.262 10 0 BEAEHN CCNCc1cnc(-c2ccsc2)nc1 ZINC000054855627 170129219 /nfs/dbraw/zinc/12/92/19/170129219.db2.gz MFMYJZOHGCZVLV-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1nc2cc(C)c(C)cc2n1C ZINC000045206642 170131191 /nfs/dbraw/zinc/13/11/91/170131191.db2.gz DRDLSRGOUKWMCA-UHFFFAOYSA-N 0 3 217.316 2.300 10 0 BEAEHN CCN[C@@H](CO)c1cc(C)c(OCC)cc1C ZINC000071548156 170145176 /nfs/dbraw/zinc/14/51/76/170145176.db2.gz UPRCGEHSDCEELO-ZDUSSCGKSA-N 0 3 237.343 2.345 10 0 BEAEHN CCN[C@@H](Cc1ccccc1F)c1cnn(C)c1 ZINC000035556052 170146007 /nfs/dbraw/zinc/14/60/07/170146007.db2.gz MXPSFAPNKKWWLT-AWEZNQCLSA-N 0 3 247.317 2.453 10 0 BEAEHN CCN[C@@H]1CC[S@@](=O)c2c(C)cccc21 ZINC000040988518 170154362 /nfs/dbraw/zinc/15/43/62/170154362.db2.gz JCLMCSIGOLITLG-ABAIWWIYSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@@H]1c2ccc(F)c(F)c2O[C@H]1C ZINC000062611527 170155328 /nfs/dbraw/zinc/15/53/28/170155328.db2.gz MOWNCBLLAQETIN-WKEGUHRASA-N 0 3 213.227 2.396 10 0 BEAEHN CCN[C@@](C)(C(N)=O)c1ccc(C(C)C)cc1 ZINC000037447688 170155563 /nfs/dbraw/zinc/15/55/63/170155563.db2.gz VJQPLHPRAIGWTL-CQSZACIVSA-N 0 3 234.343 2.120 10 0 BEAEHN CCN[C@H](C)c1cc2c(cc1F)NC(=O)CC2 ZINC000035571780 170159009 /nfs/dbraw/zinc/15/90/09/170159009.db2.gz UGTFJIONUUUCEV-MRVPVSSYSA-N 0 3 236.290 2.381 10 0 BEAEHN CCN[C@H](CO)c1cc(C(C)C)ccc1OC ZINC000071548120 170162160 /nfs/dbraw/zinc/16/21/60/170162160.db2.gz IMQOQQXNIFOALE-CYBMUJFWSA-N 0 3 237.343 2.462 10 0 BEAEHN CCN[C@H](c1ccc(C)s1)[C@@H]1COCCO1 ZINC000055299828 170163090 /nfs/dbraw/zinc/16/30/90/170163090.db2.gz YVXOFIUWMWOAIO-JQWIXIFHSA-N 0 3 241.356 2.123 10 0 BEAEHN CCN[C@H](Cc1cnn(C)c1)c1cc(C)ccn1 ZINC000104407203 170163236 /nfs/dbraw/zinc/16/32/36/170163236.db2.gz JVEKPECGQUOWFS-CQSZACIVSA-N 0 3 244.342 2.017 10 0 BEAEHN CCN[C@H](c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000035542425 170164040 /nfs/dbraw/zinc/16/40/40/170164040.db2.gz WPOMMKNOIMVUGT-HUUCEWRRSA-N 0 3 247.338 2.451 10 0 BEAEHN CCN[C@@H](c1cnn(C)c1)c1ccc(OC)cc1 ZINC000035556027 170164066 /nfs/dbraw/zinc/16/40/66/170164066.db2.gz OIJNUNROLGOWKJ-CQSZACIVSA-N 0 3 245.326 2.128 10 0 BEAEHN CCN[C@H](c1nc(C)c(C)s1)[C@@H]1CCOC1 ZINC000041061109 170164762 /nfs/dbraw/zinc/16/47/62/170164762.db2.gz NWGPQXKLACXNMF-MNOVXSKESA-N 0 3 240.372 2.447 10 0 BEAEHN CCN[C@H]1CCN([C@H](C)c2ccc(C)cc2)C1=O ZINC000049660303 170167933 /nfs/dbraw/zinc/16/79/33/170167933.db2.gz KKRNDMPBBVNEIW-OCCSQVGLSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@H]1CC[S@@](=O)c2c(C)cccc21 ZINC000040988521 170168559 /nfs/dbraw/zinc/16/85/59/170168559.db2.gz JCLMCSIGOLITLG-NHYWBVRUSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@H]1CC[S@](=O)c2cc(C)c(C)cc21 ZINC000040975106 170168789 /nfs/dbraw/zinc/16/87/89/170168789.db2.gz VDBKWOHFGIGVGE-BLLLJJGKSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@H]1CC[S@](=O)c2c(C)ccc(C)c21 ZINC000040974418 170168870 /nfs/dbraw/zinc/16/88/70/170168870.db2.gz FGXHCGGUUBNRNP-MEDUHNTESA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@H]1CC[S@](=O)c2c(C)cccc21 ZINC000040988527 170168900 /nfs/dbraw/zinc/16/89/00/170168900.db2.gz JCLMCSIGOLITLG-XHDPSFHLSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@H]1COc2c1ccc1c2OC(C)(C)C1 ZINC000035653961 170168924 /nfs/dbraw/zinc/16/89/24/170168924.db2.gz SFAGIYJFZIXQIF-NSHDSACASA-N 0 3 233.311 2.443 10 0 BEAEHN CC[C@]1(C)COCCN1C[C@H]1CCC[C@H](O)C1 ZINC000660150813 411547433 /nfs/dbraw/zinc/54/74/33/411547433.db2.gz ZWFUVOLGIBNWBI-MELADBBJSA-N 0 3 241.375 2.038 10 0 BEAEHN CCOC(=O)CCNCc1ccc(C)c(C)c1 ZINC000045688315 170208924 /nfs/dbraw/zinc/20/89/24/170208924.db2.gz LBYRRXWCKLTECY-UHFFFAOYSA-N 0 3 235.327 2.346 10 0 BEAEHN CCOC(=O)C[C@H](N)c1ccnc2ccccc21 ZINC000104390615 170233651 /nfs/dbraw/zinc/23/36/51/170233651.db2.gz BMRDWLCQGABSJB-LBPRGKRZSA-N 0 3 244.294 2.188 10 0 BEAEHN CCOC(=O)[C@@H](C)N1CCCCC[C@H]1C ZINC000250668887 170247046 /nfs/dbraw/zinc/24/70/46/170247046.db2.gz KGURDCFEXZQRQY-GHMZBOCLSA-N 0 3 213.321 2.203 10 0 BEAEHN CCOCCN1CCC[C@@H]1c1ccco1 ZINC000116404600 170397404 /nfs/dbraw/zinc/39/74/04/170397404.db2.gz ZWMBJZWBKAVPCN-LLVKDONJSA-N 0 3 209.289 2.453 10 0 BEAEHN CC[C@@H](C)Oc1cc2c(cc1CN)OCO2 ZINC000042873599 170765793 /nfs/dbraw/zinc/76/57/93/170765793.db2.gz OYJBWIUVQDBNRI-MRVPVSSYSA-N 0 3 223.272 2.051 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccc(C)cc2)CN1 ZINC000036672918 171109119 /nfs/dbraw/zinc/10/91/19/171109119.db2.gz OEINTKBGROAEND-CHWSQXEVSA-N 0 3 205.301 2.435 10 0 BEAEHN CC[C@@H]1CO[C@](C)(c2ccccc2)CN1 ZINC000052099049 171113642 /nfs/dbraw/zinc/11/36/42/171113642.db2.gz DJFYDRBPKADWRW-OLZOCXBDSA-N 0 3 205.301 2.300 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccccc2F)CN1 ZINC000036672736 171114125 /nfs/dbraw/zinc/11/41/25/171114125.db2.gz GMCWPAIWXMTKIU-SKDRFNHKSA-N 0 3 209.264 2.265 10 0 BEAEHN CC[C@@H]1CO[C@H](c2cccc(OC)c2)CN1 ZINC000036672744 171114386 /nfs/dbraw/zinc/11/43/86/171114386.db2.gz JIADQNGZVBEVIS-YPMHNXCESA-N 0 3 221.300 2.135 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1ccc(F)cc1 ZINC000119407121 171177224 /nfs/dbraw/zinc/17/72/24/171177224.db2.gz YSQNMYMUDDNEHK-CYBMUJFWSA-N 0 3 225.307 2.419 10 0 BEAEHN CC[C@@](C)(O)CN1CCC(C(F)(F)F)CC1 ZINC000119425311 171178245 /nfs/dbraw/zinc/17/82/45/171178245.db2.gz LNEHKISGTNREII-SNVBAGLBSA-N 0 3 239.281 2.422 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1ccccc1OC ZINC000119409311 171178940 /nfs/dbraw/zinc/17/89/40/171178940.db2.gz SUEPVVVIJDOPOD-CQSZACIVSA-N 0 3 237.343 2.288 10 0 BEAEHN CC[C@@](NCC(C)C)(C(N)=O)c1ccccc1 ZINC000037951910 171194469 /nfs/dbraw/zinc/19/44/69/171194469.db2.gz USPLDRRJJFHATI-AWEZNQCLSA-N 0 3 234.343 2.023 10 0 BEAEHN CC[C@@](NCC1CC1)(C(N)=O)c1ccc(C)cc1 ZINC000037952126 171194732 /nfs/dbraw/zinc/19/47/32/171194732.db2.gz DOEVEEBMYCBWHL-HNNXBMFYSA-N 0 3 246.354 2.085 10 0 BEAEHN CC[C@H](C)CNCc1cn2c(n1)CCCC2 ZINC000336750257 171286316 /nfs/dbraw/zinc/28/63/16/171286316.db2.gz ZJWHRCZSHHTUNN-NSHDSACASA-N 0 3 221.348 2.355 10 0 BEAEHN CC[C@H](C)N(CC)c1nc2ccccn2c1CN ZINC000035449407 171311561 /nfs/dbraw/zinc/31/15/61/171311561.db2.gz AHWNNRQESPNOPR-NSHDSACASA-N 0 3 246.358 2.418 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000020036580 171338834 /nfs/dbraw/zinc/33/88/34/171338834.db2.gz DVJKGGSUCBYTEK-VIFPVBQESA-N 0 3 224.279 2.152 10 0 BEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1ccc(C)cc1C ZINC000038065547 171347505 /nfs/dbraw/zinc/34/75/05/171347505.db2.gz NQWHABYWCJGJPS-SWLSCSKDSA-N 0 3 248.370 2.392 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000019486810 171370534 /nfs/dbraw/zinc/37/05/34/171370534.db2.gz PUIUEWYDEUIXQN-NNYUYHANSA-N 0 3 226.364 2.055 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)cn1 ZINC000077558694 171372272 /nfs/dbraw/zinc/37/22/72/171372272.db2.gz OZETUAZHRHYOMV-OIBJUYFYSA-N 0 3 241.722 2.047 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000042494726 171393187 /nfs/dbraw/zinc/39/31/87/171393187.db2.gz IXXRPJONFAAAKV-CYDGBPFRSA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000037806864 171393371 /nfs/dbraw/zinc/39/33/71/171393371.db2.gz JMAZYJQNTUHYKK-RVMXOQNASA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nncn1-c1ccccc1 ZINC000019508788 171397658 /nfs/dbraw/zinc/39/76/58/171397658.db2.gz KZCUSOCGPITGQY-JQWIXIFHSA-N 0 3 230.315 2.313 10 0 BEAEHN CCC[C@@H]1C[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662517110 412202808 /nfs/dbraw/zinc/20/28/08/412202808.db2.gz QVIHGFBVBBNTCY-QMTHXVAHSA-N 0 3 244.338 2.208 10 0 BEAEHN CCc1ccc(CNCCCC(=O)OC)cc1 ZINC000037416050 171805170 /nfs/dbraw/zinc/80/51/70/171805170.db2.gz LASWGAVJDOIJSV-UHFFFAOYSA-N 0 3 235.327 2.292 10 0 BEAEHN CCc1ccc([C@H]2OCCN[C@@H]2C)cc1 ZINC000037224394 171845214 /nfs/dbraw/zinc/84/52/14/171845214.db2.gz GXIBZQIMXQABJO-MFKMUULPSA-N 0 3 205.301 2.298 10 0 BEAEHN CCc1nc([C@H](N)[C@@H]2CCOC2)sc1C ZINC000041060238 172007492 /nfs/dbraw/zinc/00/74/92/172007492.db2.gz OJJJUZPGIMPQRP-PSASIEDQSA-N 0 3 226.345 2.050 10 0 BEAEHN CCc1nc([C@H](N)[C@H]2CCOC2)sc1C ZINC000041060240 172007539 /nfs/dbraw/zinc/00/75/39/172007539.db2.gz OJJJUZPGIMPQRP-WCBMZHEXSA-N 0 3 226.345 2.050 10 0 BEAEHN CCc1ncc(CN[C@@H]2CCC[C@H](O)C2)s1 ZINC000037924635 172019084 /nfs/dbraw/zinc/01/90/84/172019084.db2.gz QTYMNYQWEUSXKS-ZJUUUORDSA-N 0 3 240.372 2.099 10 0 BEAEHN CCn1c(C)nc(Cc2ccccc2)c1N ZINC000105032755 172137721 /nfs/dbraw/zinc/13/77/21/172137721.db2.gz BDGUQRRUXFEUPD-UHFFFAOYSA-N 0 3 215.300 2.384 10 0 BEAEHN CCn1c(CNC)nc2cc(C)c(C)cc21 ZINC000022864062 172144635 /nfs/dbraw/zinc/14/46/35/172144635.db2.gz HWIMEHZAJCHUNX-UHFFFAOYSA-N 0 3 217.316 2.392 10 0 BEAEHN CCn1cc(-c2csc(C(C)(C)N)n2)cn1 ZINC000044495458 172149104 /nfs/dbraw/zinc/14/91/04/172149104.db2.gz BXTZHRBOFQIQHS-UHFFFAOYSA-N 0 3 236.344 2.220 10 0 BEAEHN CCn1cc([C@@H](N)c2cc(F)ccc2C)cn1 ZINC000052139145 172193928 /nfs/dbraw/zinc/19/39/28/172193928.db2.gz ROHJJWKADJIAJL-CYBMUJFWSA-N 0 3 233.290 2.399 10 0 BEAEHN CCn1cc([C@@H](N)c2cccc(F)c2)cn1 ZINC000043468957 172194575 /nfs/dbraw/zinc/19/45/75/172194575.db2.gz QEEYEEXKIWRIIW-LBPRGKRZSA-N 0 3 219.263 2.090 10 0 BEAEHN CCn1cc([C@H](N)c2cc(F)ccc2C)cn1 ZINC000052139142 172199590 /nfs/dbraw/zinc/19/95/90/172199590.db2.gz ROHJJWKADJIAJL-ZDUSSCGKSA-N 0 3 233.290 2.399 10 0 BEAEHN CCn1cccc1CNC[C@@H](O)c1ccccc1 ZINC000091023363 172207145 /nfs/dbraw/zinc/20/71/45/172207145.db2.gz BHTROQBHMCJFHT-OAHLLOKOSA-N 0 3 244.338 2.331 10 0 BEAEHN CN(C(=O)OCc1ccccc1)[C@@H]1CCCCN1 ZINC000054965262 172325358 /nfs/dbraw/zinc/32/53/58/172325358.db2.gz QJBVAVPQTNRWIH-CYBMUJFWSA-N 0 3 248.326 2.355 10 0 BEAEHN CN(C(=O)[C@H](N)C(C)(C)C)c1ccccc1 ZINC000077488009 172332175 /nfs/dbraw/zinc/33/21/75/172332175.db2.gz JCZQIADGMPEGQW-NSHDSACASA-N 0 3 220.316 2.023 10 0 BEAEHN CN(Cc1ccc(F)cc1)c1cccc(CN)n1 ZINC000051398111 172853236 /nfs/dbraw/zinc/85/32/36/172853236.db2.gz OXSULGLYKCIBDN-UHFFFAOYSA-N 0 3 245.301 2.316 10 0 BEAEHN CN(Cc1ccncc1)[C@@H](CN)c1cccs1 ZINC000036775792 172900174 /nfs/dbraw/zinc/90/01/74/172900174.db2.gz UDOWMENYKBPVTB-LBPRGKRZSA-N 0 3 247.367 2.275 10 0 BEAEHN CN1CCCC[C@@H]1CNc1cc(Cl)ncn1 ZINC000044565934 173005046 /nfs/dbraw/zinc/00/50/46/173005046.db2.gz WOLZFEHVHCWASU-SECBINFHSA-N 0 3 240.738 2.026 10 0 BEAEHN CN1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000040673500 173020863 /nfs/dbraw/zinc/02/08/63/173020863.db2.gz CDBQPZAYNROGBZ-SNVBAGLBSA-N 0 3 225.723 2.241 10 0 BEAEHN CN1CC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000042548232 173125959 /nfs/dbraw/zinc/12/59/59/173125959.db2.gz UKPHLJFMPICURU-MRVPVSSYSA-N 0 3 245.248 2.216 10 0 BEAEHN CN1CC[C@@H](N[C@@H]2CSCc3ccccc32)C1 ZINC000042545985 173126125 /nfs/dbraw/zinc/12/61/25/173126125.db2.gz SVZULZVHRHRBEM-TZMCWYRMSA-N 0 3 248.395 2.268 10 0 BEAEHN CN1CC[C@H](Nc2ccc(Cl)cc2)C1 ZINC000061984637 173155211 /nfs/dbraw/zinc/15/52/11/173155211.db2.gz LVFARQMBEKPLTC-NSHDSACASA-N 0 3 210.708 2.456 10 0 BEAEHN CN1Cc2c(ccc(Cl)c2Cl)[C@@H]1CN ZINC000082702945 173199229 /nfs/dbraw/zinc/19/92/29/173199229.db2.gz UHNSOARRTSENCU-VIFPVBQESA-N 0 3 231.126 2.439 10 0 BEAEHN CN1Cc2c(cc(Cl)cc2Cl)[C@@H]1CN ZINC000082702853 173200001 /nfs/dbraw/zinc/20/00/01/173200001.db2.gz PSHCKSGTMGYJOU-JTQLQIEISA-N 0 3 231.126 2.439 10 0 BEAEHN CN1Cc2c(ccc(Cl)c2Cl)[C@H]1CN ZINC000082702946 173200045 /nfs/dbraw/zinc/20/00/45/173200045.db2.gz UHNSOARRTSENCU-SECBINFHSA-N 0 3 231.126 2.439 10 0 BEAEHN CN1[C@@H]2CC[C@H]1Cc1nc([C@@H]3CCCN3)sc12 ZINC000053251350 173207115 /nfs/dbraw/zinc/20/71/15/173207115.db2.gz XFTPMUWQCLSUJX-ATZCPNFKSA-N 0 3 249.383 2.259 10 0 BEAEHN CNC(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000037207591 173278594 /nfs/dbraw/zinc/27/85/94/173278594.db2.gz JKBUEZMPXWYBAF-LLVKDONJSA-N 0 3 242.322 2.236 10 0 BEAEHN CNC(C)(C)c1nc2cc(F)c(F)cc2[nH]1 ZINC000061149791 173321160 /nfs/dbraw/zinc/32/11/60/173321160.db2.gz AGHGEZMDTGIXJC-UHFFFAOYSA-N 0 3 225.242 2.296 10 0 BEAEHN CNCc1c(C)noc1-c1cccs1 ZINC000077302074 173385249 /nfs/dbraw/zinc/38/52/49/173385249.db2.gz TZLDILGBINNXLG-UHFFFAOYSA-N 0 3 208.286 2.431 10 0 BEAEHN CNCc1cc(-c2cc(C)ccc2C)n[nH]1 ZINC000050478982 173385300 /nfs/dbraw/zinc/38/53/00/173385300.db2.gz BPMGAYHZOHLULL-UHFFFAOYSA-N 0 3 215.300 2.413 10 0 BEAEHN CNCc1cc(C)nc(-c2cccc(OC)c2)n1 ZINC000054830842 173386149 /nfs/dbraw/zinc/38/61/49/173386149.db2.gz XBCIMKPCZGETSY-UHFFFAOYSA-N 0 3 243.310 2.180 10 0 BEAEHN CNCc1cc(F)ccc1N(C)C(C)C ZINC000037236248 173386624 /nfs/dbraw/zinc/38/66/24/173386624.db2.gz WAVGPVVOZRDNPY-UHFFFAOYSA-N 0 3 210.296 2.390 10 0 BEAEHN CNCc1cc(F)ccc1N1CCCC1 ZINC000037235935 173386770 /nfs/dbraw/zinc/38/67/70/173386770.db2.gz JEAZZZGRMOZKMW-UHFFFAOYSA-N 0 3 208.280 2.145 10 0 BEAEHN CNCc1cc(F)ccc1N1CC[C@H](C)C1 ZINC000040723635 173386977 /nfs/dbraw/zinc/38/69/77/173386977.db2.gz QTEVUQNQVRNLLM-JTQLQIEISA-N 0 3 222.307 2.391 10 0 BEAEHN CNCc1cc(OC)c(OC(F)F)c(OC)c1 ZINC000035121715 173387561 /nfs/dbraw/zinc/38/75/61/173387561.db2.gz DPALJGUJUAQOQP-UHFFFAOYSA-N 0 3 247.241 2.025 10 0 BEAEHN CNCc1cccc(NC(=O)c2ccccn2)c1 ZINC000036282571 173389708 /nfs/dbraw/zinc/38/97/08/173389708.db2.gz IHNAKUOSMMOENZ-UHFFFAOYSA-N 0 3 241.294 2.053 10 0 BEAEHN CNCc1cccnc1N(C)CC1CCC1 ZINC000061485381 173390235 /nfs/dbraw/zinc/39/02/35/173390235.db2.gz NQQWFOGIENOZFU-UHFFFAOYSA-N 0 3 219.332 2.037 10 0 BEAEHN CNCc1cccnc1N(C)Cc1ccoc1C ZINC000051520294 173391055 /nfs/dbraw/zinc/39/10/55/173391055.db2.gz NJSLVMMYZDTVHH-UHFFFAOYSA-N 0 3 245.326 2.339 10 0 BEAEHN CNCc1ccnc(C2CCC(C)CC2)n1 ZINC000054791152 173391141 /nfs/dbraw/zinc/39/11/41/173391141.db2.gz XIFXOQCZAFBBHC-UHFFFAOYSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cccnc1N(C)Cc1ccoc1 ZINC000051491898 173391629 /nfs/dbraw/zinc/39/16/29/173391629.db2.gz YETRCSHAFFCRQT-UHFFFAOYSA-N 0 3 231.299 2.030 10 0 BEAEHN CNCc1cnc(-c2cccc(C)c2)nc1 ZINC000054855525 173392260 /nfs/dbraw/zinc/39/22/60/173392260.db2.gz YXDOIRCASHRUHN-UHFFFAOYSA-N 0 3 213.284 2.171 10 0 BEAEHN CNCc1cnc(N2CCCCCC2)s1 ZINC000054900710 173392385 /nfs/dbraw/zinc/39/23/85/173392385.db2.gz HSEBLNQBUPFBKL-UHFFFAOYSA-N 0 3 225.361 2.243 10 0 BEAEHN CNCc1cnc(N2CCC(C)(C)CC2)s1 ZINC000061823589 173392631 /nfs/dbraw/zinc/39/26/31/173392631.db2.gz YNDQIPBZNHDQFR-UHFFFAOYSA-N 0 3 239.388 2.489 10 0 BEAEHN CNCc1cnn(C2CCCCC2)c1C ZINC000042355986 173392936 /nfs/dbraw/zinc/39/29/36/173392936.db2.gz DEYQBNUTTAPUQQ-UHFFFAOYSA-N 0 3 207.321 2.416 10 0 BEAEHN CNCc1cnn(-c2ccccc2C)c1C ZINC000042355364 173393662 /nfs/dbraw/zinc/39/36/62/173393662.db2.gz GDVYCEIHQCTPAY-UHFFFAOYSA-N 0 3 215.300 2.209 10 0 BEAEHN CNCc1nc(CN2CCCC[C@@H]2C)cs1 ZINC000052378459 173394230 /nfs/dbraw/zinc/39/42/30/173394230.db2.gz ZHEOCNFGPSVBAI-JTQLQIEISA-N 0 3 239.388 2.237 10 0 BEAEHN CNCc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000052381041 173394938 /nfs/dbraw/zinc/39/49/38/173394938.db2.gz LLYCQUSUYMOPCY-SNVBAGLBSA-N 0 3 239.388 2.094 10 0 BEAEHN CNCc1nc2ccc(OC)cc2s1 ZINC000082320563 173396422 /nfs/dbraw/zinc/39/64/22/173396422.db2.gz YDHJTMAHTJGVBR-UHFFFAOYSA-N 0 3 208.286 2.024 10 0 BEAEHN CNCc1nc2ccc(F)cc2n1C(C)C ZINC000052124982 173396721 /nfs/dbraw/zinc/39/67/21/173396721.db2.gz PIVPPUBWCCSYSA-UHFFFAOYSA-N 0 3 221.279 2.476 10 0 BEAEHN CNCc1occc1CN(C)Cc1ccccn1 ZINC000052478809 173399590 /nfs/dbraw/zinc/39/95/90/173399590.db2.gz JIJXMUIETLWYDC-UHFFFAOYSA-N 0 3 245.326 2.026 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000054075284 173444445 /nfs/dbraw/zinc/44/44/45/173444445.db2.gz QDJRIEWSDYYGKM-YPMHNXCESA-N 0 3 238.375 2.166 10 0 BEAEHN CN[C@H](CO[C@@H]1CCOC1)c1ccc(C)cc1C ZINC000104101474 173452393 /nfs/dbraw/zinc/45/23/93/173452393.db2.gz GRUUPRLBJJSZMR-UKRRQHHQSA-N 0 3 249.354 2.369 10 0 BEAEHN COCCCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000103226630 174177648 /nfs/dbraw/zinc/17/76/48/174177648.db2.gz XCCGVGOTAFCVGT-UONOGXRCSA-N 0 3 241.375 2.447 10 0 BEAEHN COCCCN(C)c1cccc(F)c1[C@H](C)N ZINC000062032062 174219897 /nfs/dbraw/zinc/21/98/97/174219897.db2.gz ZXEJSIWDJUZZBV-JTQLQIEISA-N 0 3 240.322 2.318 10 0 BEAEHN COCCN([C@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000042518143 174285614 /nfs/dbraw/zinc/28/56/14/174285614.db2.gz FVKNOARXDDTBTB-IUODEOHRSA-N 0 3 248.370 2.186 10 0 BEAEHN COCCN(C[C@@H](N)c1ccccc1C)C1CC1 ZINC000042518166 174297102 /nfs/dbraw/zinc/29/71/02/174297102.db2.gz IYLRTCXTFGZLNU-OAHLLOKOSA-N 0 3 248.370 2.106 10 0 BEAEHN COCCN(Cc1ccc(C)c(N)c1)C1CC1 ZINC000042519641 174299432 /nfs/dbraw/zinc/29/94/32/174299432.db2.gz QHHYMUAHDXZWGE-UHFFFAOYSA-N 0 3 234.343 2.188 10 0 BEAEHN COCCOCc1ccoc1CNC(C)(C)C ZINC000052628356 174364139 /nfs/dbraw/zinc/36/41/39/174364139.db2.gz YNLYOSCELYMBRO-UHFFFAOYSA-N 0 3 241.331 2.331 10 0 BEAEHN COCC[C@@H](N)c1cc(F)ccc1F ZINC000055243267 174392942 /nfs/dbraw/zinc/39/29/42/174392942.db2.gz HTYDTRKVXDKGQU-SNVBAGLBSA-N 0 3 201.216 2.001 10 0 BEAEHN COCC[C@@H](N)c1ccc(F)cc1F ZINC000055238978 174392964 /nfs/dbraw/zinc/39/29/64/174392964.db2.gz JNQRXIMKKOVKLV-SNVBAGLBSA-N 0 3 201.216 2.001 10 0 BEAEHN COc1cc(OC)c([C@H](N)C2CC2)c(OC)c1 ZINC000036960452 175007722 /nfs/dbraw/zinc/00/77/22/175007722.db2.gz ZPQBOWZFPHIXNE-CYBMUJFWSA-N 0 3 237.299 2.122 10 0 BEAEHN COc1cc2c(cc1OC)[C@@H](C)N[C@H](C)C2 ZINC000082785501 175025535 /nfs/dbraw/zinc/02/55/35/175025535.db2.gz PWKFIIODJAWALD-RKDXNWHRSA-N 0 3 221.300 2.299 10 0 BEAEHN COc1cc2c(cc1OC)[C@H](C)N[C@@H](C)C2 ZINC000082785500 175025894 /nfs/dbraw/zinc/02/58/94/175025894.db2.gz PWKFIIODJAWALD-IUCAKERBSA-N 0 3 221.300 2.299 10 0 BEAEHN COc1ccc(-c2cccc(C(=N)N)n2)cc1 ZINC000071186730 175034315 /nfs/dbraw/zinc/03/43/15/175034315.db2.gz XMCKNQPFJXAGHT-UHFFFAOYSA-N 0 3 227.267 2.041 10 0 BEAEHN COc1ccc(C(=O)[C@@H]2CCCCN2)cc1C ZINC000058327584 175065583 /nfs/dbraw/zinc/06/55/83/175065583.db2.gz UZUJCUKKCACHQG-LBPRGKRZSA-N 0 3 233.311 2.328 10 0 BEAEHN COc1ccc(C(C)C)cc1CNC[C@H](C)O ZINC000098126251 175069511 /nfs/dbraw/zinc/06/95/11/175069511.db2.gz YEGTWVKJFHGOSH-NSHDSACASA-N 0 3 237.343 2.289 10 0 BEAEHN COc1ccc(C)cc1[C@H](O)CN(C)C1CC1 ZINC000042250722 175082066 /nfs/dbraw/zinc/08/20/66/175082066.db2.gz RCEGWXLOKFIAQU-CYBMUJFWSA-N 0 3 235.327 2.131 10 0 BEAEHN COc1ccc(CC[C@H]2COC[C@@H](C)N2)cc1 ZINC000071545517 175093895 /nfs/dbraw/zinc/09/38/95/175093895.db2.gz CHLMCFVSTDKEHN-YPMHNXCESA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccc(CNC2=N[C@H](C)CS2)cc1 ZINC000035294670 175105401 /nfs/dbraw/zinc/10/54/01/175105401.db2.gz YNDBQODAUNFKAM-SECBINFHSA-N 0 3 236.340 2.276 10 0 BEAEHN COc1ccc(CN[C@@H](C)CO)cc1C(C)C ZINC000098126245 175109351 /nfs/dbraw/zinc/10/93/51/175109351.db2.gz VPTZDHQNVZYBSS-NSHDSACASA-N 0 3 237.343 2.289 10 0 BEAEHN COc1ccc(Cl)cc1N[C@H]1CCN(C)C1 ZINC000061984609 175122294 /nfs/dbraw/zinc/12/22/94/175122294.db2.gz ZAZRNPVLASSCAM-JTQLQIEISA-N 0 3 240.734 2.465 10 0 BEAEHN COc1ccc(F)c(CN[C@H]2C[C@@H]2C)c1 ZINC000293421970 175125521 /nfs/dbraw/zinc/12/55/21/175125521.db2.gz AMSUYYRATSQAHD-UFBFGSQYSA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(NC(=O)[C@H]2NCCC[C@H]2C)cc1 ZINC000051790686 175147210 /nfs/dbraw/zinc/14/72/10/175147210.db2.gz OROPGGHMJOUIMP-MFKMUULPSA-N 0 3 248.326 2.022 10 0 BEAEHN COc1ccc(N[C@H]2CN3CCC2CC3)cc1 ZINC000020441143 175155740 /nfs/dbraw/zinc/15/57/40/175155740.db2.gz INPKGLAUMXOZPT-AWEZNQCLSA-N 0 3 232.327 2.201 10 0 BEAEHN COc1ccc(OC)c(Nc2cc(N)ccn2)c1 ZINC000043568626 175167509 /nfs/dbraw/zinc/16/75/09/175167509.db2.gz SADYROMFQYQJNA-UHFFFAOYSA-N 0 3 245.282 2.425 10 0 BEAEHN COc1ccc(OC)c([C@@H](N)COC(C)C)c1 ZINC000019395327 175168043 /nfs/dbraw/zinc/16/80/43/175168043.db2.gz WENFNRGSWAQDRO-LBPRGKRZSA-N 0 3 239.315 2.129 10 0 BEAEHN COc1ccc([C@@H](N)c2ccncc2)c(F)c1 ZINC000036766567 175180361 /nfs/dbraw/zinc/18/03/61/175180361.db2.gz LMRIPZVXBQVZPQ-ZDUSSCGKSA-N 0 3 232.258 2.277 10 0 BEAEHN COc1ccc([C@H](N)[C@H](C)n2ccnc2C)cc1 ZINC000023068847 175192290 /nfs/dbraw/zinc/19/22/90/175192290.db2.gz JMMOPHZCIRCFCH-IINYFYTJSA-N 0 3 245.326 2.461 10 0 BEAEHN COc1ccc2c(c1)nc(N)n2C(C)C ZINC000075947257 175219738 /nfs/dbraw/zinc/21/97/38/175219738.db2.gz LTPMFRLFFBMSQQ-UHFFFAOYSA-N 0 3 205.261 2.208 10 0 BEAEHN COc1cccc(-c2nc([C@@H](C)N)c[nH]2)c1 ZINC000082517053 175235754 /nfs/dbraw/zinc/23/57/54/175235754.db2.gz WITHOMNMZMJIDU-MRVPVSSYSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1cccc(CNC2=NCCCS2)c1 ZINC000038078028 175263671 /nfs/dbraw/zinc/26/36/71/175263671.db2.gz VFLWILZUFPUVQV-UHFFFAOYSA-N 0 3 236.340 2.278 10 0 BEAEHN COc1cccc(NC(=O)[C@H]2CCC[C@H](C)N2)c1 ZINC000019511024 175277662 /nfs/dbraw/zinc/27/76/62/175277662.db2.gz WSSUKRIIZLMRHS-GXFFZTMASA-N 0 3 248.326 2.164 10 0 BEAEHN COc1cccc([C@@H]2CNCCN2C(C)C)c1 ZINC000077369931 175291191 /nfs/dbraw/zinc/29/11/91/175291191.db2.gz GHQQCXCGGHUEOY-AWEZNQCLSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccccc1C(=O)CNC(C)(C)C ZINC000033877730 175316391 /nfs/dbraw/zinc/31/63/91/175316391.db2.gz WPGRGQTXNPPLNE-UHFFFAOYSA-N 0 3 221.300 2.266 10 0 BEAEHN COc1ccccc1C(=O)c1ccc(CN)cc1 ZINC000019779680 175320186 /nfs/dbraw/zinc/32/01/86/175320186.db2.gz BRIVMIMIILNXPG-UHFFFAOYSA-N 0 3 241.290 2.385 10 0 BEAEHN COc1ccccc1CC[C@H]1COC[C@@H](C)N1 ZINC000071545501 175324677 /nfs/dbraw/zinc/32/46/77/175324677.db2.gz PTYIHTQDBBCHKQ-YPMHNXCESA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccccc1CN1CCCC[C@H](CO)C1 ZINC000378353021 175327273 /nfs/dbraw/zinc/32/72/73/175327273.db2.gz ZSCLTOMQQWHYAU-ZDUSSCGKSA-N 0 3 249.354 2.290 10 0 BEAEHN COc1ccccc1C[C@@H](N)c1cncc(F)c1 ZINC000049576498 175333013 /nfs/dbraw/zinc/33/30/13/175333013.db2.gz QBUQDJQSGLERNN-CYBMUJFWSA-N 0 3 246.285 2.472 10 0 BEAEHN COc1ccccc1Oc1ccnc(CN)c1 ZINC000051549695 175342524 /nfs/dbraw/zinc/34/25/24/175342524.db2.gz DIQLJDREOQJISS-UHFFFAOYSA-N 0 3 230.267 2.341 10 0 BEAEHN COc1ccccc1[C@@H](N)c1cccnc1 ZINC000037466408 175347159 /nfs/dbraw/zinc/34/71/59/175347159.db2.gz SPJBTAMBMVFZBA-ZDUSSCGKSA-N 0 3 214.268 2.138 10 0 BEAEHN COc1ccsc1CNC(C)(C)[C@@H](C)O ZINC000127133390 175377982 /nfs/dbraw/zinc/37/79/82/175377982.db2.gz QLCOFFFCFUYDMG-MRVPVSSYSA-N 0 3 229.345 2.006 10 0 BEAEHN C[C@@H](N[C@H]1CCCCC[C@@H]1O)c1ccccn1 ZINC000037889253 175924883 /nfs/dbraw/zinc/92/48/83/175924883.db2.gz YJMKRUFZKGKVOS-XBFCOCLRSA-N 0 3 234.343 2.426 10 0 BEAEHN C[C@@H](O)c1ccccc1OCCN1CCCC1 ZINC000035626940 176000058 /nfs/dbraw/zinc/00/00/58/176000058.db2.gz VBQZXYAPEOAXAH-GFCCVEGCSA-N 0 3 235.327 2.215 10 0 BEAEHN C[C@@H](O)c1ncc(CN[C@H](C)C2CC2)s1 ZINC000289265524 176000693 /nfs/dbraw/zinc/00/06/93/176000693.db2.gz NAEZHLNNGAIHLS-HTQZYQBOSA-N 0 3 226.345 2.085 10 0 BEAEHN C[C@@H]1CCCCN1CCNCc1ccccn1 ZINC000053343361 176071100 /nfs/dbraw/zinc/07/11/00/176071100.db2.gz NTYLEYXJPXUGNX-CYBMUJFWSA-N 0 3 233.359 2.046 10 0 BEAEHN C[C@@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1N ZINC000019270009 176075700 /nfs/dbraw/zinc/07/57/00/176075700.db2.gz RCZBRYRNGARONQ-KYOSRNDESA-N 0 3 246.354 2.322 10 0 BEAEHN C[C@@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044116171 176075875 /nfs/dbraw/zinc/07/58/75/176075875.db2.gz ZIAJAHNHZIKPEM-KYOSRNDESA-N 0 3 247.338 2.355 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1Oc1ccc(CN)cn1 ZINC000019280536 176082334 /nfs/dbraw/zinc/08/23/34/176082334.db2.gz BUNFRNZKPAUJIK-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCC[C@H]1CNCc1ccncn1 ZINC000054789833 176085567 /nfs/dbraw/zinc/08/55/67/176085567.db2.gz IGJLTZGUMUGVDG-NEPJUHHUSA-N 0 3 219.332 2.393 10 0 BEAEHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000042494736 176119687 /nfs/dbraw/zinc/11/96/87/176119687.db2.gz JIURMQFUUAPAMH-IJLUTSLNSA-N 0 3 240.391 2.397 10 0 BEAEHN C[C@@H]1CCC[C@@H](N2CCC(=O)CC2)[C@@H]1C ZINC000019436651 176120565 /nfs/dbraw/zinc/12/05/65/176120565.db2.gz PIMWGAJFYCFNOK-NQBHXWOUSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@@H]1CCC[C@H](N(C)C(=O)C2(N)CCCC2)C1 ZINC000042495041 176140586 /nfs/dbraw/zinc/14/05/86/176140586.db2.gz WAPOXYDTKFLJEZ-NEPJUHHUSA-N 0 3 238.375 2.295 10 0 BEAEHN C[C@@H]1CCN(Cc2csc(CN)n2)[C@H](C)C1 ZINC000052510108 176178137 /nfs/dbraw/zinc/17/81/37/176178137.db2.gz JQMQBIYQLBHYBB-NXEZZACHSA-N 0 3 239.388 2.222 10 0 BEAEHN C[C@@H]1COc2ccc(Br)cc2[C@@H]1N ZINC000035755119 176348337 /nfs/dbraw/zinc/34/83/37/176348337.db2.gz CVXUPCOBXAEVAE-LHLIQPBNSA-N 0 3 242.116 2.477 10 0 BEAEHN C[C@@H]1CSC(NCCc2cccs2)=N1 ZINC000035294983 176349454 /nfs/dbraw/zinc/34/94/54/176349454.db2.gz ACCLSCXDEQDJAB-MRVPVSSYSA-N 0 3 226.370 2.372 10 0 BEAEHN C[C@@H]1C[C@@H](C)CN(c2ncc(CN)s2)C1 ZINC000054864077 176361473 /nfs/dbraw/zinc/36/14/73/176361473.db2.gz WPOFQDJSAAALOE-RKDXNWHRSA-N 0 3 225.361 2.084 10 0 BEAEHN C[C@@H]1C[C@@H](NCc2nncn2C)CC(C)(C)C1 ZINC000037989080 176377881 /nfs/dbraw/zinc/37/78/81/176377881.db2.gz QWFGQBSMIVXVDS-GHMZBOCLSA-N 0 3 236.363 2.120 10 0 BEAEHN C[C@H](NC[C@H](O)COC(C)(C)C)c1ccco1 ZINC000037890373 176867324 /nfs/dbraw/zinc/86/73/24/176867324.db2.gz ACDOOHSTFQQWKY-QWRGUYRKSA-N 0 3 241.331 2.106 10 0 BEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000052272190 176929944 /nfs/dbraw/zinc/92/99/44/176929944.db2.gz ZARIFXRLTPQIAS-QXEWZRGKSA-N 0 3 246.310 2.077 10 0 BEAEHN C[C@@H](NCc1cnc([C@H](C)O)s1)C1CC1 ZINC000289265527 177019505 /nfs/dbraw/zinc/01/95/05/177019505.db2.gz NAEZHLNNGAIHLS-SFYZADRCSA-N 0 3 226.345 2.085 10 0 BEAEHN C[C@H](c1ccco1)N1CCCC[C@@H]1CO ZINC000095089116 177049369 /nfs/dbraw/zinc/04/93/69/177049369.db2.gz KNVFRZBZYOLLJH-GHMZBOCLSA-N 0 3 209.289 2.187 10 0 BEAEHN C[C@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1N ZINC000019270012 177078453 /nfs/dbraw/zinc/07/84/53/177078453.db2.gz RCZBRYRNGARONQ-LNSITVRQSA-N 0 3 246.354 2.322 10 0 BEAEHN C[C@H]1CCCC[C@@H]1CNCc1nccn1C ZINC000042862410 177079869 /nfs/dbraw/zinc/07/98/69/177079869.db2.gz DUKNSLJYPYHOGU-NWDGAFQWSA-N 0 3 221.348 2.336 10 0 BEAEHN C[C@H]1CCCC[C@@H]1N(C)Cc1cc(CN)no1 ZINC000052546782 177080340 /nfs/dbraw/zinc/08/03/40/177080340.db2.gz PAPRFCMAHHTBNA-GWCFXTLKSA-N 0 3 237.347 2.144 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2)N1 ZINC000019425532 177113566 /nfs/dbraw/zinc/11/35/66/177113566.db2.gz YGXGPIQISVLDPM-CABZTGNLSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N2[C@H](C)CCC[C@@H]2C)N1 ZINC000034651214 177115932 /nfs/dbraw/zinc/11/59/32/177115932.db2.gz YFGLFHHNUMDIQB-FVCCEPFGSA-N 0 3 238.375 2.307 10 0 BEAEHN C[C@H]1CCC[C@@H](Oc2ccc(CN)cn2)C1 ZINC000034958116 177123630 /nfs/dbraw/zinc/12/36/30/177123630.db2.gz HKRBUKILSDYFOM-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N2CCC[C@@H](C)CC2)N1 ZINC000104367410 177129182 /nfs/dbraw/zinc/12/91/82/177129182.db2.gz XDDHWFSJXJJXDY-FRRDWIJNSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@@H]1[C@@H](C)CCC[C@@H]1NCc1ncc[nH]1 ZINC000049714591 177136829 /nfs/dbraw/zinc/13/68/29/177136829.db2.gz OVMRKOBDLAOSIC-AXFHLTTASA-N 0 3 207.321 2.324 10 0 BEAEHN C[C@H]1CN(Cc2ccc(CO)cc2)CCS1 ZINC000163157426 177261798 /nfs/dbraw/zinc/26/17/98/177261798.db2.gz YWMASDRQBQFSGF-NSHDSACASA-N 0 3 237.368 2.116 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCCCF ZINC000367211694 177280538 /nfs/dbraw/zinc/28/05/38/177280538.db2.gz MJRBMBDYQXSWDF-STQMWFEESA-N 0 3 228.355 2.295 10 0 BEAEHN C[C@H]1CN=C(NCCc2cccs2)S1 ZINC000035294986 177281491 /nfs/dbraw/zinc/28/14/91/177281491.db2.gz AMKFCDMSCVBMJB-QMMMGPOBSA-N 0 3 226.370 2.372 10 0 BEAEHN C[C@H]1CNC[C@@H](c2ccc(F)cc2F)O1 ZINC000036673239 177285438 /nfs/dbraw/zinc/28/54/38/177285438.db2.gz DZZBMQZTFQSKLM-CPCISQLKSA-N 0 3 213.227 2.014 10 0 BEAEHN C[C@H]1CSC(NCCc2ccsc2)=N1 ZINC000049185319 177303500 /nfs/dbraw/zinc/30/35/00/177303500.db2.gz GHFBXIGOKLTZJK-QMMMGPOBSA-N 0 3 226.370 2.372 10 0 BEAEHN Cc1c(CN)nnn1-c1ccc(C(C)C)cc1 ZINC000020391588 177584972 /nfs/dbraw/zinc/58/49/72/177584972.db2.gz FRDAMNACMLMEPE-UHFFFAOYSA-N 0 3 230.315 2.158 10 0 BEAEHN CO[C@H](CN1C[C@@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401569606 226359706 /nfs/dbraw/zinc/35/97/06/226359706.db2.gz DDZQCPAGGSKPIJ-AEGPPILISA-N 0 3 249.354 2.077 10 0 BEAEHN Cc1cccc(OCCN2C[C@H](C)C[C@@H](O)C2)c1 ZINC000401853132 226362373 /nfs/dbraw/zinc/36/23/73/226362373.db2.gz VSLUINKXPLMYSJ-ZIAGYGMSSA-N 0 3 249.354 2.077 10 0 BEAEHN CO[C@@H]1C[C@H](N[C@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396007 229429174 /nfs/dbraw/zinc/42/91/74/229429174.db2.gz PPABHNZJJLJQEE-ADEWGFFLSA-N 0 3 235.331 2.018 10 0 BEAEHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1cccs1 ZINC000399218041 262780102 /nfs/dbraw/zinc/78/01/02/262780102.db2.gz BAIYQTIRDMGEIX-KWQFWETISA-N 0 3 238.356 2.053 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000054073570 487681855 /nfs/dbraw/zinc/68/18/55/487681855.db2.gz ORUAHDMQTSJETE-DGCLKSJQSA-N 0 3 248.370 2.498 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000054076398 487683423 /nfs/dbraw/zinc/68/34/23/487683423.db2.gz ABADRQMBLOWTKL-BDAKNGLRSA-N 0 3 240.734 2.125 10 0 BEAEHN CCCC1CCC(NC(=O)[C@@H](C)NC)CC1 ZINC000054076643 487683616 /nfs/dbraw/zinc/68/36/16/487683616.db2.gz HUHWRAYLKALDID-VOMCLLRMSA-N 0 3 226.364 2.069 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000054075687 487683637 /nfs/dbraw/zinc/68/36/37/487683637.db2.gz XNYPQQPPALMRJS-DTWKUNHWSA-N 0 3 240.734 2.125 10 0 BEAEHN CC[C@@H](NC(=O)[C@H]1NCCCC1(C)C)C(C)C ZINC000233891746 487751569 /nfs/dbraw/zinc/75/15/69/487751569.db2.gz HJLUNXWMFWHASI-VXGBXAGGSA-N 0 3 240.391 2.315 10 0 BEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc(Cl)ccn1 ZINC000233979018 487756329 /nfs/dbraw/zinc/75/63/29/487756329.db2.gz CTBLZQWEDDZRML-XCBNKYQSSA-N 0 3 241.722 2.047 10 0 BEAEHN CC[C@H](NC(=O)CNC(C)C)c1ccccc1 ZINC000051628613 487762659 /nfs/dbraw/zinc/76/26/59/487762659.db2.gz HUDKFVQUVAANOS-ZDUSSCGKSA-N 0 3 234.343 2.252 10 0 BEAEHN CCCCCCNC(=O)[C@@H](CCC)N(C)C ZINC000161408463 632002918 /nfs/dbraw/zinc/00/29/18/632002918.db2.gz BBUBTPFMGDAWEC-GFCCVEGCSA-N 0 3 228.380 2.413 10 0 BEAEHN c1ccc2c(c1)CCN[C@@H]2CN1CCCCC1 ZINC000034628817 487921099 /nfs/dbraw/zinc/92/10/99/487921099.db2.gz MWFDWWMMOCTHRI-OAHLLOKOSA-N 0 3 230.355 2.359 10 0 BEAEHN CC(C)(C)c1nccc(CN)c1OC1CC1 ZINC000095738097 322971902 /nfs/dbraw/zinc/97/19/02/322971902.db2.gz DWTPEDQGSAQWPT-UHFFFAOYSA-N 0 3 220.316 2.379 10 0 BEAEHN CCC[C@H](C(=O)NCC1(C)CCCC1)N(C)C ZINC000162068755 323591994 /nfs/dbraw/zinc/59/19/94/323591994.db2.gz AOYVPVDJFXWMAM-GFCCVEGCSA-N 0 3 240.391 2.413 10 0 BEAEHN C[C@@H](NCC1CC(O)C1)c1cccc(F)c1F ZINC000235203456 325252779 /nfs/dbraw/zinc/25/27/79/325252779.db2.gz BDUGLPGHSMQVIC-XNWIYYODSA-N 0 3 241.281 2.386 10 0 BEAEHN CCC[C@H](C(=O)NCC1(C)CCC1)N(C)C ZINC000133885831 325326512 /nfs/dbraw/zinc/32/65/12/325326512.db2.gz RSMSRFSMMIDVHZ-LLVKDONJSA-N 0 3 226.364 2.023 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCCC[C@@H]2CO)nc1 ZINC000134349538 325354990 /nfs/dbraw/zinc/35/49/90/325354990.db2.gz XDCOLQGWTCPNMU-TZMCWYRMSA-N 0 3 234.343 2.031 10 0 BEAEHN C[C@H](NCC1CC(O)C1)c1cc(F)ccc1F ZINC000091415971 325686520 /nfs/dbraw/zinc/68/65/20/325686520.db2.gz JVDVPTINLBDYCA-SILCLGDVSA-N 0 3 241.281 2.386 10 0 BEAEHN C[C@@H](NCC1CC(O)C1)c1cc(F)cc(F)c1 ZINC000094827799 325785930 /nfs/dbraw/zinc/78/59/30/325785930.db2.gz MDCNNKFHZLNXPH-BGQFSCJGSA-N 0 3 241.281 2.386 10 0 BEAEHN CC(C)N1C[C@H](NC(=O)C2CCCC2)[C@@H](C)C1 ZINC000155684917 326207736 /nfs/dbraw/zinc/20/77/36/326207736.db2.gz PMZWIOJEMAHAQO-AAEUAGOBSA-N 0 3 238.375 2.022 10 0 BEAEHN CC[C@H](NCc1ncnn1C(C)C)C(C)C ZINC000083977872 487978776 /nfs/dbraw/zinc/97/87/76/487978776.db2.gz LVDYBSSWZCBLQB-NSHDSACASA-N 0 3 224.352 2.383 10 0 BEAEHN Cc1cc(Br)cnc1[C@H](C)N ZINC000215338982 488009599 /nfs/dbraw/zinc/00/95/99/488009599.db2.gz DPNIINIKFQBHRO-LURJTMIESA-N 0 3 215.094 2.172 10 0 BEAEHN CC(C)CCN(C)C(=O)[C@@]1(C)CCCCN1 ZINC000159565846 488062097 /nfs/dbraw/zinc/06/20/97/488062097.db2.gz AJOKPBDDKFUYCL-CYBMUJFWSA-N 0 3 226.364 2.023 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)[C@@H](C)CO1 ZINC000403857809 488140838 /nfs/dbraw/zinc/14/08/38/488140838.db2.gz VGJUOIJGDHQAMF-RFQIPJPRSA-N 0 3 241.375 2.037 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1ccsc1 ZINC000119403437 490048379 /nfs/dbraw/zinc/04/83/79/490048379.db2.gz LIIWBTGSXTXFGQ-NSHDSACASA-N 0 3 213.346 2.341 10 0 BEAEHN C[C@@H]1N(C[C@@H]2CCC[C@H](O)C2)CCOC1(C)C ZINC000660006581 490131969 /nfs/dbraw/zinc/13/19/69/490131969.db2.gz PQHBMTYDKABBBZ-XQQFMLRXSA-N 0 3 241.375 2.037 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000313068476 490242973 /nfs/dbraw/zinc/24/29/73/490242973.db2.gz HENKEFQRDJJDSN-NEPJUHHUSA-N 0 3 238.375 2.214 10 0 BEAEHN CC[C@@]1(C)CCCN(Cc2cncnc2)C1 ZINC000127230071 490542218 /nfs/dbraw/zinc/54/22/18/490542218.db2.gz XSBTWDZYAJJIJC-ZDUSSCGKSA-N 0 3 219.332 2.489 10 0 BEAEHN N[C@H]1c2c(Cl)cc(Cl)cc2CC[C@@H]1O ZINC000039941508 491110643 /nfs/dbraw/zinc/11/06/43/491110643.db2.gz QASZXAAVJFJJSX-WCBMZHEXSA-N 0 3 232.110 2.300 10 0 BEAEHN CN1CCC[C@H](N[C@@H]2CCCc3occc32)C1 ZINC000124843864 491128674 /nfs/dbraw/zinc/12/86/74/491128674.db2.gz LLHHJYRBJYWGMZ-WCQYABFASA-N 0 3 234.343 2.341 10 0 BEAEHN CNCc1sc(C(=O)[C@H]2C[C@H]2C)nc1C ZINC000757126928 582502231 /nfs/dbraw/zinc/50/22/31/582502231.db2.gz WSWIAWRJSUDEFT-SVRRBLITSA-N 0 3 224.329 2.010 10 0 BEAEHN C[C@@H]1C[C@H](C)OC2(CC(CF)(CF)C2)N1 ZINC000757144682 582525568 /nfs/dbraw/zinc/52/55/68/582525568.db2.gz HBESDEZJIREZHZ-BDAKNGLRSA-N 0 3 219.275 2.189 10 0 BEAEHN c1ccc(C[C@@H]2CCOC3(CCC3)N2)cc1 ZINC000757151560 582535663 /nfs/dbraw/zinc/53/56/63/582535663.db2.gz QURRFPLVBCVMOU-ZDUSSCGKSA-N 0 3 217.312 2.488 10 0 BEAEHN CCC[C@@H]1CCN[C@]2(COC(C)(C)C2)O1 ZINC000757153862 582537928 /nfs/dbraw/zinc/53/79/28/582537928.db2.gz YDKKUUNLANPEIC-PWSUYJOCSA-N 0 3 213.321 2.060 10 0 BEAEHN CC(C)(C)C[C@@]1(C)NCCc2nc[nH]c21 ZINC000400363159 582569206 /nfs/dbraw/zinc/56/92/06/582569206.db2.gz BGNVULGVGONGOM-GFCCVEGCSA-N 0 3 207.321 2.207 10 0 BEAEHN CNCc1cc(N2CCCC[C@H]2C)ccn1 ZINC000051399412 536468965 /nfs/dbraw/zinc/46/89/65/536468965.db2.gz WLQMOCJLRLZIRW-LLVKDONJSA-N 0 3 219.332 2.180 10 0 BEAEHN Cc1[nH]c(Nc2ccc(F)cc2)nc(=NN)c1C ZINC000057331438 527003704 /nfs/dbraw/zinc/00/37/04/527003704.db2.gz QKSPGGDWIAUTKH-UHFFFAOYSA-N 0 3 247.277 2.262 10 0 BEAEHN Cc1nc(Nc2ccc(F)cc2)nc(NN)c1C ZINC000057331438 527003713 /nfs/dbraw/zinc/00/37/13/527003713.db2.gz QKSPGGDWIAUTKH-UHFFFAOYSA-N 0 3 247.277 2.262 10 0 BEAEHN CCC(CC)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000172060858 535006052 /nfs/dbraw/zinc/00/60/52/535006052.db2.gz CKVPKYGIIPPLEB-AAEUAGOBSA-N 0 3 238.375 2.118 10 0 BEAEHN CCNCc1ccc(N2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000051435701 535479052 /nfs/dbraw/zinc/47/90/52/535479052.db2.gz IMBSJLRIEYLBIR-VXGBXAGGSA-N 0 3 248.374 2.068 10 0 BEAEHN C[C@@H]1CC[C@@]2(CO1)NCCc1sccc12 ZINC000401665802 537886254 /nfs/dbraw/zinc/88/62/54/537886254.db2.gz OCIRUKWMWJAWCS-SKDRFNHKSA-N 0 3 223.341 2.288 10 0 BEAEHN C[C@H]1CC[C@]2(CO1)NCCc1sccc12 ZINC000401665800 537886658 /nfs/dbraw/zinc/88/66/58/537886658.db2.gz OCIRUKWMWJAWCS-JOYOIKCWSA-N 0 3 223.341 2.288 10 0 BEAEHN COC[C@@H](C)[C@H]1NCCc2sccc21 ZINC000307014147 566277590 /nfs/dbraw/zinc/27/75/90/566277590.db2.gz OSJBAQXJMBWONK-LDYMZIIASA-N 0 3 211.330 2.217 10 0 BEAEHN Nc1c2ccccc2nc2c1CCC[C@@H]2O ZINC000000011988 560176815 /nfs/dbraw/zinc/17/68/15/560176815.db2.gz BISIFJGUTDFVFR-NSHDSACASA-N 0 3 214.268 2.187 10 0 in-vitro BEAEHN CCCC[C@H](O)c1nc(C)c(CN)s1 ZINC000757127282 582502076 /nfs/dbraw/zinc/50/20/76/582502076.db2.gz IHBDDFFRRQUQHY-QMMMGPOBSA-N 0 3 214.334 2.134 10 0 BEAEHN CNCc1sc([C@H](O)C2CCC2)nc1C ZINC000757133930 582510505 /nfs/dbraw/zinc/51/05/05/582510505.db2.gz XSJJWWJSBDVRSB-SNVBAGLBSA-N 0 3 226.345 2.004 10 0 BEAEHN CC(C)[C@@H]1N[C@]2(CCCOC2)OCC12CCC2 ZINC000757138942 582518417 /nfs/dbraw/zinc/51/84/17/582518417.db2.gz FIENFZIWFBBLBY-GXTWGEPZSA-N 0 3 239.359 2.308 10 0 BEAEHN CC(C)(C)[C@@H]1CCO[C@]2(COC(C)(C)C2)N1 ZINC000757141471 582521971 /nfs/dbraw/zinc/52/19/71/582521971.db2.gz PBRLTCCDXGICSJ-GXFFZTMASA-N 0 3 227.348 2.306 10 0 BEAEHN CCC[C@H]1CCO[C@]2(COC(C)(C)C2)N1 ZINC000757143390 582523445 /nfs/dbraw/zinc/52/34/45/582523445.db2.gz MRDFRUUWHKANDM-CMPLNLGQSA-N 0 3 213.321 2.060 10 0 BEAEHN CC(=O)[C@@H]1CCCN(CCOCCC(C)C)C1 ZINC000111690373 582817863 /nfs/dbraw/zinc/81/78/63/582817863.db2.gz AQKKUJGYZDRPHD-CQSZACIVSA-N 0 3 241.375 2.350 10 0 BEAEHN C[C@H]1C[C@@]2(CCO1)NCCc1sccc12 ZINC000397127299 583096975 /nfs/dbraw/zinc/09/69/75/583096975.db2.gz CIWWESKFAGSEGM-JOYOIKCWSA-N 0 3 223.341 2.288 10 0 BEAEHN CCOC1CC2(C1)NCCc1sccc12 ZINC000397205404 583099194 /nfs/dbraw/zinc/09/91/94/583099194.db2.gz ZFXVJGATIQXJFJ-UHFFFAOYSA-N 0 3 223.341 2.288 10 0 BEAEHN CC1(C)CNC2(CC(CF)(CF)C2)OC1 ZINC000757139694 586427438 /nfs/dbraw/zinc/42/74/38/586427438.db2.gz JCWGDYHPRHTUQN-UHFFFAOYSA-N 0 3 219.275 2.048 10 0 BEAEHN Cc1cc(CNC2CN(C)C2)ccc1Cl ZINC000757154431 586430195 /nfs/dbraw/zinc/43/01/95/586430195.db2.gz YZPSIMNFXKEJAS-UHFFFAOYSA-N 0 3 224.735 2.052 10 0 BEAEHN Clc1ccc(CSC[C@H]2CNCCO2)o1 ZINC000757170893 586432892 /nfs/dbraw/zinc/43/28/92/586432892.db2.gz RVDBIQRNFZSEBU-SECBINFHSA-N 0 3 247.747 2.155 10 0 BEAEHN NCc1ccc(-c2cccc3cc[nH]c32)nn1 ZINC000757571570 586462637 /nfs/dbraw/zinc/46/26/37/586462637.db2.gz LMMOLBPKSUXXBF-UHFFFAOYSA-N 0 3 224.267 2.084 10 0 BEAEHN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000110119609 588611915 /nfs/dbraw/zinc/61/19/15/588611915.db2.gz SSIYTEZJZWJGLY-CQSZACIVSA-N 0 3 245.322 2.214 10 0 BEAEHN CCC(CC)CNc1cc(C)nc(N)n1 ZINC000122614098 589610033 /nfs/dbraw/zinc/61/00/33/589610033.db2.gz IQILVVJZNMIGAZ-UHFFFAOYSA-N 0 3 208.309 2.215 10 0 BEAEHN C[C@H]1CN(CCC(=O)C(C)(C)C)CCS1 ZINC000123708130 589773263 /nfs/dbraw/zinc/77/32/63/589773263.db2.gz YMJQHVIOIYFKCQ-JTQLQIEISA-N 0 3 229.389 2.429 10 0 BEAEHN Cc1ncc(CCNCc2ccoc2)s1 ZINC000125018085 590113633 /nfs/dbraw/zinc/11/36/33/590113633.db2.gz FXRZBFMQXUCOQQ-UHFFFAOYSA-N 0 3 222.313 2.377 10 0 BEAEHN CCCC[C@@H](CC)CCNCCS(C)(=O)=O ZINC000126971300 590526133 /nfs/dbraw/zinc/52/61/33/590526133.db2.gz SNYPMYRBVXPPMG-GFCCVEGCSA-N 0 3 249.420 2.227 10 0 BEAEHN Cc1cc(CNC[C@@H](O)C(C)(C)C)c(C)o1 ZINC000127640372 590727526 /nfs/dbraw/zinc/72/75/26/590727526.db2.gz NMKQWNHBTQZSGT-GFCCVEGCSA-N 0 3 225.332 2.393 10 0 BEAEHN Cc1cc([O-])c(Br)cc1[C@@H](C)[NH3+] ZINC000212233005 591329018 /nfs/dbraw/zinc/32/90/18/591329018.db2.gz HEJWTBOIEYGQJY-ZCFIWIBFSA-N 0 3 230.105 2.483 10 0 BEAEHN CC1(c2noc(-c3ccc4c(c3)CNC4)n2)CC1 ZINC000131242195 591577651 /nfs/dbraw/zinc/57/76/51/591577651.db2.gz VWTQRFOAZGAHLR-UHFFFAOYSA-N 0 3 241.294 2.391 10 0 BEAEHN Cc1ccccc1[C@H](C)NCC[S@](C)=O ZINC000133837177 591861834 /nfs/dbraw/zinc/86/18/34/591861834.db2.gz ZLWBUSGFIKQWHH-XHDPSFHLSA-N 0 3 225.357 2.024 10 0 BEAEHN CN(C)c1cccc(NCc2ccoc2)n1 ZINC000134747350 591948702 /nfs/dbraw/zinc/94/87/02/591948702.db2.gz XOEOJIQKKGHGDE-UHFFFAOYSA-N 0 3 217.272 2.353 10 0 BEAEHN CCc1ccc([C@H](C)N[C@H](C)[C@H](C)O)o1 ZINC000336757179 635284281 /nfs/dbraw/zinc/28/42/81/635284281.db2.gz JAKCFKNQQRZIBU-UTLUCORTSA-N 0 3 211.305 2.262 10 0 BEAEHN C[C@H](O)[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000336778190 635286442 /nfs/dbraw/zinc/28/64/42/635286442.db2.gz KPJITQGXIPAXTN-CIUDSAMLSA-N 0 3 229.270 2.385 10 0 BEAEHN C[C@@H](O)[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000336778191 635288200 /nfs/dbraw/zinc/28/82/00/635288200.db2.gz KPJITQGXIPAXTN-HRDYMLBCSA-N 0 3 229.270 2.385 10 0 BEAEHN C[C@@H](O)[C@@H](C)NCc1ccc(F)cc1Cl ZINC000309058020 631833381 /nfs/dbraw/zinc/83/33/81/631833381.db2.gz VGPZHLHMPZQXRM-HTQZYQBOSA-N 0 3 231.698 2.338 10 0 BEAEHN CO[C@H](C)[C@@H](C)N[C@@H]1COc2ccccc21 ZINC000161576473 632092303 /nfs/dbraw/zinc/09/23/03/632092303.db2.gz VCBQMKGQLQOPPD-CKYFFXLPSA-N 0 3 221.300 2.133 10 0 BEAEHN Cc1ccc(CNc2cc(C)nc(N)n2)s1 ZINC000052357409 632392677 /nfs/dbraw/zinc/39/26/77/632392677.db2.gz KAJNELRIDUYVCH-UHFFFAOYSA-N 0 3 234.328 2.349 10 0 BEAEHN CC[C@H](NC(=O)[C@@H](N)CC1CC1)c1ccccc1 ZINC000310698749 632889716 /nfs/dbraw/zinc/88/97/16/632889716.db2.gz XCFQPICJBOIGJN-KBPBESRZSA-N 0 3 246.354 2.381 10 0 BEAEHN CCN1CC[C@H](N[C@H](C)c2c(C)noc2C)C1 ZINC000328177720 633735219 /nfs/dbraw/zinc/73/52/19/633735219.db2.gz LQNFNEPSCRABKM-SKDRFNHKSA-N 0 3 237.347 2.036 10 0 BEAEHN CCc1cccnc1[C@H](C)N[C@H](C)[C@H](C)O ZINC000336751690 635258476 /nfs/dbraw/zinc/25/84/76/635258476.db2.gz CKRQPWQIFQVZKF-VWYCJHECSA-N 0 3 222.332 2.064 10 0 BEAEHN Cc1cc([C@H](C)N[C@@H](C)[C@H](C)O)oc1C ZINC000336756636 635281284 /nfs/dbraw/zinc/28/12/84/635281284.db2.gz IWPFZAWNWGKLRB-GUBZILKMSA-N 0 3 211.305 2.316 10 0 BEAEHN COC(OC)[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000079585274 636443608 /nfs/dbraw/zinc/44/36/08/636443608.db2.gz JSQSUKBDHORZCA-GXFFZTMASA-N 0 3 235.327 2.271 10 0 BEAEHN CCC1CCC(N)(c2ncnn2CC)CC1 ZINC000054498762 636744227 /nfs/dbraw/zinc/74/42/27/636744227.db2.gz QSLVXASZXJWWAD-UHFFFAOYSA-N 0 3 222.336 2.052 10 0 BEAEHN CC[C@@H](N)c1nc(C2CCCCC2)nn1C ZINC000054699467 640320743 /nfs/dbraw/zinc/32/07/43/640320743.db2.gz ZOVOARYJEJZOFL-SNVBAGLBSA-N 0 3 222.336 2.273 10 0 BEAEHN C[C@H](N[C@H]1CCc2cccnc21)[C@@H]1CCCO1 ZINC000226802963 640797573 /nfs/dbraw/zinc/79/75/73/640797573.db2.gz YTLRHYWYSHSMAD-DRZSPHRISA-N 0 3 232.327 2.226 10 0 BEAEHN CC[C@H](Nc1cc(C)nc(N)n1)C(C)C ZINC000088425565 641182893 /nfs/dbraw/zinc/18/28/93/641182893.db2.gz ZHKHTNFPTRBPHH-VIFPVBQESA-N 0 3 208.309 2.214 10 0 BEAEHN [O-]c1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1F ZINC000232422417 641276644 /nfs/dbraw/zinc/27/66/44/641276644.db2.gz TYDBWSHVNSGWHC-NSHDSACASA-N 0 3 239.290 2.190 10 0 BEAEHN CC1(C)C[C@@H]1c1noc([C@H]2CCCN2)n1 ZINC000232886435 642148932 /nfs/dbraw/zinc/14/89/32/642148932.db2.gz DHGBQOLPJJFHDA-HTQZYQBOSA-N 0 3 207.277 2.008 10 0 BEAEHN C[C@@H]1C[C@H](C)[C@@](F)(C(=O)OC(C)(C)C)[C@@H](N)C1 ZINC000757182470 643357112 /nfs/dbraw/zinc/35/71/12/643357112.db2.gz JIIRQWJMCSLJOP-QYTUQVAYSA-N 0 3 245.338 2.430 10 0 BEAEHN Cc1cc(NCc2ccc(F)cc2)nc(N)n1 ZINC000035994169 643455791 /nfs/dbraw/zinc/45/57/91/643455791.db2.gz BTRBWESADDZIJQ-UHFFFAOYSA-N 0 3 232.262 2.118 10 0 BEAEHN CO[C@H]1CCC[C@@H]1NCc1ccccc1F ZINC000049948757 643564631 /nfs/dbraw/zinc/56/46/31/643564631.db2.gz WKHBOKZVTYQEMC-STQMWFEESA-N 0 3 223.291 2.483 10 0 BEAEHN Cc1cc(N[C@H]2CCC[C@H](C)C2)nc(N)n1 ZINC000046484556 643572300 /nfs/dbraw/zinc/57/23/00/643572300.db2.gz LMQNDUWWLHXYCW-WPRPVWTQSA-N 0 3 220.320 2.358 10 0 BEAEHN CCN(C(=O)CNC1CC1)c1ccc(C)cc1 ZINC000049989009 643575174 /nfs/dbraw/zinc/57/51/74/643575174.db2.gz CDKUCUMQRAJKDO-UHFFFAOYSA-N 0 3 232.327 2.100 10 0 BEAEHN C[C@H]1COC[C@H](C)N1CCCCCCCO ZINC000173790610 644181553 /nfs/dbraw/zinc/18/15/53/644181553.db2.gz JCRZXIZLDFUSSA-STQMWFEESA-N 0 3 229.364 2.038 10 0 BEAEHN CSC1CC(N[C@@H](C)c2cnccn2)C1 ZINC000708243287 712184946 /nfs/dbraw/zinc/18/49/46/712184946.db2.gz LRAXBEPACLXFNY-IDKOKCKLSA-N 0 3 223.345 2.021 10 0 BEAEHN COCC1CC(NCc2cccc(F)c2F)C1 ZINC000713961712 712475212 /nfs/dbraw/zinc/47/52/12/712475212.db2.gz UJJPNECRTZAXQR-UHFFFAOYSA-N 0 3 241.281 2.479 10 0 BEAEHN CC[C@@H](COC)NCc1ncc(C)cc1C ZINC000724020824 711556840 /nfs/dbraw/zinc/55/68/40/711556840.db2.gz FGNIUTLGSNQCMX-LBPRGKRZSA-N 0 3 222.332 2.213 10 0 BEAEHN Cc1cnc(CN[C@@H]2COCC2(C)C)c(C)c1 ZINC000724074398 711559135 /nfs/dbraw/zinc/55/91/35/711559135.db2.gz YOVRSSMPXOMXFE-CYBMUJFWSA-N 0 3 234.343 2.213 10 0 BEAEHN CC[C@H]1C[C@@H](NCc2ncc(C)cc2C)CO1 ZINC000724098707 711560552 /nfs/dbraw/zinc/56/05/52/711560552.db2.gz UMAPZKOACBITCS-OLZOCXBDSA-N 0 3 234.343 2.356 10 0 BEAEHN CCC[C@H](N)C(=O)NCC(CC)(CC)SC ZINC000225536242 711829166 /nfs/dbraw/zinc/82/91/66/711829166.db2.gz QAIPHYGRYLZBGX-JTQLQIEISA-N 0 3 246.420 2.152 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000715816265 712533738 /nfs/dbraw/zinc/53/37/38/712533738.db2.gz XPXOABUGSYENSO-PWSUYJOCSA-N 0 3 240.734 2.128 10 0 BEAEHN CC[C@H](N[C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876959 712538324 /nfs/dbraw/zinc/53/83/24/712538324.db2.gz JBWUSDJZVOKVRG-ONGXEEELSA-N 0 3 222.336 2.044 10 0 BEAEHN CCCC[C@H](CC)N[C@@H](C)c1cn(C)nn1 ZINC000720584740 712854667 /nfs/dbraw/zinc/85/46/67/712854667.db2.gz UZBGKHPXAAPGIK-QWRGUYRKSA-N 0 3 224.352 2.435 10 0 BEAEHN C[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)c1cn(C)nn1 ZINC000720592686 712856145 /nfs/dbraw/zinc/85/61/45/712856145.db2.gz ZSKCJWBRJWMHJN-GARJFASQSA-N 0 3 236.363 2.290 10 0 BEAEHN C[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1cn(C)nn1 ZINC000720592685 712856148 /nfs/dbraw/zinc/85/61/48/712856148.db2.gz ZSKCJWBRJWMHJN-DCAQKATOSA-N 0 3 236.363 2.290 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)c1cn(C)nn1 ZINC000720602211 712857227 /nfs/dbraw/zinc/85/72/27/712857227.db2.gz KKEDXONMLJJDPQ-DRZSPHRISA-N 0 3 248.374 2.435 10 0 BEAEHN C[C@@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607911 712858499 /nfs/dbraw/zinc/85/84/99/712858499.db2.gz WZQZPTNRQPYLMS-WYUUTHIRSA-N 0 3 234.347 2.044 10 0 BEAEHN C[C@H]1CCC[C@H](N(C)CN2CCOC2=S)C1 ZINC000124598586 960747897 /nfs/dbraw/zinc/74/78/97/960747897.db2.gz BFOPEMZMJMBCAG-QWRGUYRKSA-N 0 3 242.388 2.072 10 0 BEAEHN c1cnn(CCNCc2cnc(C3CC3)s2)c1 ZINC000134219725 1167132318 /nfs/dbraw/zinc/13/23/18/1167132318.db2.gz LEJQDPWZONZTQG-UHFFFAOYSA-N 0 3 248.355 2.007 10 0 BEAEHN C[C@H](N)c1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956703 538899681 /nfs/dbraw/zinc/89/96/81/538899681.db2.gz ZNLHUVJSQXQUDJ-BYPYZUCNSA-N 0 3 240.521 2.323 10 0 BEAEHN C[C@@H](N)C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962726 538909532 /nfs/dbraw/zinc/90/95/32/538909532.db2.gz RKJNCTHFOIQXTG-VXGBXAGGSA-N 0 3 235.327 2.146 10 0 BEAEHN OCC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC000161600119 349484756 /nfs/dbraw/zinc/48/47/56/349484756.db2.gz BZFSVVBUJKLRFT-NSHDSACASA-N 0 3 223.291 2.030 10 0 BEAEHN Cc1cc(CN[C@H]2CCCOC2)cc(C)c1O ZINC000109544501 178040165 /nfs/dbraw/zinc/04/01/65/178040165.db2.gz TTZWTNQWZUMWLX-ZDUSSCGKSA-N 0 3 235.327 2.278 10 0 BEAEHN CCn1cc([C@@H]2NCC23CCCCC3)cn1 ZINC000380674328 398196572 /nfs/dbraw/zinc/19/65/72/398196572.db2.gz COBTWUXGHPHDFM-LBPRGKRZSA-N 0 3 219.332 2.498 10 0 BEAEHN Cc1cnccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000296230560 398208169 /nfs/dbraw/zinc/20/81/69/398208169.db2.gz CGSSCYTUIQKHDR-WCQYABFASA-N 0 3 220.316 2.047 10 0 BEAEHN CO[C@H](C(C)C)[C@@H]1NC(C)(C)CS1 ZINC000306789000 398200591 /nfs/dbraw/zinc/20/05/91/398200591.db2.gz SQTYLPSVRYCMJE-RKDXNWHRSA-N 0 3 203.351 2.099 10 0 BEAEHN Cc1cc(NC[C@@H](C)N2CCCCC2)nc(C)n1 ZINC000038029310 178165421 /nfs/dbraw/zinc/16/54/21/178165421.db2.gz LBLPRQAMBXNUEQ-GFCCVEGCSA-N 0 3 248.374 2.380 10 0 BEAEHN Cc1cc(Oc2ccccc2CN)ncn1 ZINC000011849405 178215831 /nfs/dbraw/zinc/21/58/31/178215831.db2.gz UGNRESCCYQGFKV-UHFFFAOYSA-N 0 3 215.256 2.036 10 0 BEAEHN Cc1cc([C@H]2CNC(C)(C)CO2)c(C)o1 ZINC000036672991 178268181 /nfs/dbraw/zinc/26/81/81/178268181.db2.gz BDXUUEYNMFIACK-LLVKDONJSA-N 0 3 209.289 2.336 10 0 BEAEHN CCC(CC)N(C)C(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000036789505 168367135 /nfs/dbraw/zinc/36/71/35/168367135.db2.gz DXCPABMNKVSHIZ-PWSUYJOCSA-N 0 3 226.364 2.164 10 0 BEAEHN Cc1ccc(-c2nccc(CN)n2)cc1F ZINC000054791079 178338440 /nfs/dbraw/zinc/33/84/40/178338440.db2.gz BXQCKLRVCYNKEJ-UHFFFAOYSA-N 0 3 217.247 2.050 10 0 BEAEHN C[C@@H]1CCC[C@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000383871827 398258843 /nfs/dbraw/zinc/25/88/43/398258843.db2.gz HXNNPKXASTWRBZ-MNOVXSKESA-N 0 3 236.363 2.298 10 0 BEAEHN Cc1ccc(C(=O)CNC(C)C)c(C)c1 ZINC000041612571 178373156 /nfs/dbraw/zinc/37/31/56/178373156.db2.gz INYBILBKABWLGL-UHFFFAOYSA-N 0 3 205.301 2.484 10 0 BEAEHN C[C@H]1C[C@@H](C(=O)NCCN(C)C)CC(C)(C)C1 ZINC000162145712 349575831 /nfs/dbraw/zinc/57/58/31/349575831.db2.gz YLOIIPFEJBNPJU-NWDGAFQWSA-N 0 3 240.391 2.127 10 0 BEAEHN Cc1cc(Cl)ccc1CN[C@@H]1C[C@H]1CO ZINC000378799574 346837146 /nfs/dbraw/zinc/83/71/46/346837146.db2.gz SQZXUGOIJIJZFZ-CMPLNLGQSA-N 0 3 225.719 2.119 10 0 BEAEHN Nc1nc(N2CCCC2)cc2ccccc21 ZINC000003603117 342735000 /nfs/dbraw/zinc/73/50/00/342735000.db2.gz XAOOYSYTTGMKJX-UHFFFAOYSA-N 0 3 213.284 2.417 10 0 BEAEHN CCC(CC)NCc1ccc(C(N)=O)cc1F ZINC000020037365 168389359 /nfs/dbraw/zinc/38/93/59/168389359.db2.gz HSIPAKDNTHNHGQ-UHFFFAOYSA-N 0 3 238.306 2.203 10 0 BEAEHN CC(C)(C)NC[C@H](O)C(Cl)(Cl)Cl ZINC000149361302 342793200 /nfs/dbraw/zinc/79/32/00/342793200.db2.gz OJNXQFKKSYASOY-YFKPBYRVSA-N 0 3 234.554 2.106 10 0 BEAEHN C/C(=C\c1ccccc1)CN[C@@H]1C[C@H]1CO ZINC000309709194 342794805 /nfs/dbraw/zinc/79/48/05/342794805.db2.gz WMZCAGWRRMGAMG-WANXEPPHSA-N 0 3 217.312 2.060 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@@H](C)c2ccoc2)C1 ZINC000381778253 539006919 /nfs/dbraw/zinc/00/69/19/539006919.db2.gz XKLAYXKOVBBCQH-GMXVVIOVSA-N 0 3 222.332 2.270 10 0 BEAEHN CC[C@@](C)(OC)[C@@H]1NCCc2occc21 ZINC000709945853 539027800 /nfs/dbraw/zinc/02/78/00/539027800.db2.gz WWXKPCBQSXIIAK-VXGBXAGGSA-N 0 3 209.289 2.282 10 0 BEAEHN CSCCNC1=N[C@H](C)C[C@@H](C)S1 ZINC000165018073 342868671 /nfs/dbraw/zinc/86/86/71/342868671.db2.gz GRMKZZGYFWJBHK-HTQZYQBOSA-N 0 3 218.391 2.209 10 0 BEAEHN CC(C)(CNC1COC1)c1cccs1 ZINC000087619459 259327308 /nfs/dbraw/zinc/32/73/08/259327308.db2.gz LYUMCIGGXKUDCG-UHFFFAOYSA-N 0 3 211.330 2.014 10 0 BEAEHN C[C@H]1CN(c2sccc2Cl)CCN1 ZINC000229947129 342858367 /nfs/dbraw/zinc/85/83/67/342858367.db2.gz MXOIZTWJCXYSIX-ZETCQYMHSA-N 0 3 216.737 2.200 10 0 BEAEHN CCC1(CN2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC000335646761 136243778 /nfs/dbraw/zinc/24/37/78/136243778.db2.gz SWFNZIWLMOUPQP-BETUJISGSA-N 0 3 239.359 2.056 10 0 BEAEHN CN1CCC2(CCc3ccccc3O2)CC1 ZINC000138510076 342899613 /nfs/dbraw/zinc/89/96/13/342899613.db2.gz PAIMQUPBQHYDIV-UHFFFAOYSA-N 0 3 217.312 2.476 10 0 BEAEHN CCCN[C@@H](C)c1cn(C(C)(C)C)nn1 ZINC000309117261 342893548 /nfs/dbraw/zinc/89/35/48/342893548.db2.gz RLMXHHXJVINQQG-VIFPVBQESA-N 0 3 210.325 2.094 10 0 BEAEHN C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000037491174 398329006 /nfs/dbraw/zinc/32/90/06/398329006.db2.gz GSBJMSNAVFJQTI-RTXFEEFZSA-N 0 3 220.316 2.036 10 0 BEAEHN CCn1c(C)nnc1CN[C@H]1CCCC[C@H]1C ZINC000162351775 349653167 /nfs/dbraw/zinc/65/31/67/349653167.db2.gz QLVZRKKPHBFAPF-PWSUYJOCSA-N 0 3 236.363 2.275 10 0 BEAEHN Cc1ccc(CNCC[C@@H]2CCCO2)o1 ZINC000037988760 398335574 /nfs/dbraw/zinc/33/55/74/398335574.db2.gz GPDLFKCHOHJOAD-NSHDSACASA-N 0 3 209.289 2.247 10 0 BEAEHN CC(C)CN1C[C@@H](N)c2cc(F)ccc21 ZINC000019795818 342958226 /nfs/dbraw/zinc/95/82/26/342958226.db2.gz BOJBTFAOPRSYFI-LLVKDONJSA-N 0 3 208.280 2.302 10 0 BEAEHN N[C@H](CF)c1ccc(OC(F)F)cc1 ZINC000020285866 342980499 /nfs/dbraw/zinc/98/04/99/342980499.db2.gz OMESPTLWAHBLEZ-MRVPVSSYSA-N 0 3 205.179 2.257 10 0 BEAEHN Cc1nc(CCc2ccccc2)n2c1CNCC2 ZINC000020444060 342985819 /nfs/dbraw/zinc/98/58/19/342985819.db2.gz OSNRCGFYYYVVTQ-UHFFFAOYSA-N 0 3 241.338 2.080 10 0 BEAEHN NC[C@H](OCc1ccccc1)c1ccncc1 ZINC000043355065 343055880 /nfs/dbraw/zinc/05/58/80/343055880.db2.gz YUYVNEYWUCFKDG-AWEZNQCLSA-N 0 3 228.295 2.298 10 0 BEAEHN CCSc1nc2c(cc1CN)CCC2 ZINC000043406100 343065109 /nfs/dbraw/zinc/06/51/09/343065109.db2.gz NLMGNDFWZXNERK-UHFFFAOYSA-N 0 3 208.330 2.141 10 0 BEAEHN N[C@H](CO)c1ccccc1SC(F)(F)F ZINC000072198814 343068763 /nfs/dbraw/zinc/06/87/63/343068763.db2.gz CSUVSDMPCFWKOV-SSDOTTSWSA-N 0 3 237.246 2.291 10 0 BEAEHN CC1(OCc2ccc(Cl)s2)CNC1 ZINC000214712310 349794244 /nfs/dbraw/zinc/79/42/44/349794244.db2.gz MNGJEKUYKUBGAN-UHFFFAOYSA-N 0 3 217.721 2.280 10 0 BEAEHN Cc1ccc2ncc(N)c(N)c2c1Cl ZINC000584882194 343084205 /nfs/dbraw/zinc/08/42/05/343084205.db2.gz SYFWPGLAPXLRCB-UHFFFAOYSA-N 0 3 207.664 2.191 10 0 BEAEHN CCc1ccc(CC)c2c1ncc(N)c2NC ZINC000584882309 343084595 /nfs/dbraw/zinc/08/45/95/343084595.db2.gz BCZHFGZMHXCONR-UHFFFAOYSA-N 0 3 229.327 2.405 10 0 BEAEHN CO[C@@H]1Cc2ccccc2C2(CCN(C)CC2)O1 ZINC000013472036 343089533 /nfs/dbraw/zinc/08/95/33/343089533.db2.gz BMBFJAYAIYTGJO-AWEZNQCLSA-N 0 3 247.338 2.153 10 0 BEAEHN CCC1CCC2(CC1)NCCc1nc[nH]c12 ZINC000400378261 343078574 /nfs/dbraw/zinc/07/85/74/343078574.db2.gz GGUUZVUHDQBVTG-UHFFFAOYSA-N 0 3 219.332 2.351 10 0 BEAEHN Fc1cccc2c1cccc2N1CCNCC1 ZINC000165173102 343138378 /nfs/dbraw/zinc/13/83/78/343138378.db2.gz WSPOIICUICIYNN-UHFFFAOYSA-N 0 3 230.286 2.389 10 0 BEAEHN COc1ccc2c(c1)O[C@@H](C1CC1)C[C@@H]2N ZINC000130805936 343182311 /nfs/dbraw/zinc/18/23/11/343182311.db2.gz LIAKNAIBMWJCBB-NWDGAFQWSA-N 0 3 219.284 2.256 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000122118010 343158179 /nfs/dbraw/zinc/15/81/79/343158179.db2.gz XXHPHVYFYKGZCC-UTUOFQBUSA-N 0 3 226.364 2.055 10 0 BEAEHN CC(C)Cc1ncc(CNCC[C@H](C)O)s1 ZINC000125060389 343165447 /nfs/dbraw/zinc/16/54/47/343165447.db2.gz KKVQVLYQHAMVJR-JTQLQIEISA-N 0 3 242.388 2.202 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000126046820 343168304 /nfs/dbraw/zinc/16/83/04/343168304.db2.gz XXHPHVYFYKGZCC-QJPTWQEYSA-N 0 3 226.364 2.055 10 0 BEAEHN Clc1ccc(N2CCNCC2)c2ncccc12 ZINC000145212872 343197869 /nfs/dbraw/zinc/19/78/69/343197869.db2.gz OJLJMQCYFKYVCL-UHFFFAOYSA-N 0 3 247.729 2.298 10 0 BEAEHN C[C@H](NCC1(CCO)CC1)c1ccoc1 ZINC000133146678 343189573 /nfs/dbraw/zinc/18/95/73/343189573.db2.gz RBCADYRCSBUVSZ-JTQLQIEISA-N 0 3 209.289 2.093 10 0 BEAEHN Cc1cc(F)ccc1CN[C@@H]1CCO[C@@H]1C ZINC000134531661 343195022 /nfs/dbraw/zinc/19/50/22/343195022.db2.gz MWAJMOWOOUVMRN-ZWNOBZJWSA-N 0 3 223.291 2.401 10 0 BEAEHN CC(C)[C@H](N)c1nc2cc(F)ccc2[nH]1 ZINC000037439137 187252091 /nfs/dbraw/zinc/25/20/91/187252091.db2.gz QNSUHQZCJSIWOE-JTQLQIEISA-N 0 3 207.252 2.358 10 0 BEAEHN CC(C)(C)O[C@@H]1COc2ccccc2[C@H]1N ZINC000020510656 187254134 /nfs/dbraw/zinc/25/41/34/187254134.db2.gz AICDOBDBZSNTAY-VXGBXAGGSA-N 0 3 221.300 2.263 10 0 BEAEHN C[C@H](N)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000036872271 343325784 /nfs/dbraw/zinc/32/57/84/343325784.db2.gz BZQHDPSKUBNQPA-ZETCQYMHSA-N 0 3 205.236 2.236 10 0 BEAEHN CC(C)N(C)[C@H](CN)c1c(F)cccc1F ZINC000022223566 187255083 /nfs/dbraw/zinc/25/50/83/187255083.db2.gz VNCROAJDUKBXEG-LLVKDONJSA-N 0 3 228.286 2.305 10 0 BEAEHN COC(=O)C[C@H](C)N[C@H](C)c1ccccc1 ZINC000035747505 343303478 /nfs/dbraw/zinc/30/34/78/343303478.db2.gz QRAFHBCFBWYWHQ-WDEREUQCSA-N 0 3 221.300 2.289 10 0 BEAEHN CN1CCC[C@@H](COc2ccc(N)cc2F)C1 ZINC000020352221 187253867 /nfs/dbraw/zinc/25/38/67/187253867.db2.gz IBILAMKTKFUTNM-SNVBAGLBSA-N 0 3 238.306 2.129 10 0 BEAEHN C[C@H]1CO[C@H](c2ccc(Cl)cc2)CN1 ZINC000032012615 187256328 /nfs/dbraw/zinc/25/63/28/187256328.db2.gz RONYGQJRABPXEL-KWQFWETISA-N 0 3 211.692 2.389 10 0 BEAEHN CCN1CCC(Oc2cccc(N)c2)CC1 ZINC000039102188 343384402 /nfs/dbraw/zinc/38/44/02/343384402.db2.gz MWCCJRLJIICLGF-UHFFFAOYSA-N 0 3 220.316 2.132 10 0 BEAEHN CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1 ZINC000037807239 187261229 /nfs/dbraw/zinc/26/12/29/187261229.db2.gz XDPDTVLNRHYQFG-NEPJUHHUSA-N 0 3 226.364 2.022 10 0 BEAEHN CCOc1ccc(CNCCCO)cc1Cl ZINC000040743690 343408810 /nfs/dbraw/zinc/40/88/10/343408810.db2.gz SBGOAQQPYKQHSJ-UHFFFAOYSA-N 0 3 243.734 2.211 10 0 BEAEHN C[C@H](NC(=O)C(C)(C)N)c1ccccc1Cl ZINC000040925494 343411099 /nfs/dbraw/zinc/41/10/99/343411099.db2.gz NSCUEJNUBNOCPD-QMMMGPOBSA-N 0 3 240.734 2.255 10 0 BEAEHN CCC(CC)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000177741800 346938428 /nfs/dbraw/zinc/93/84/28/346938428.db2.gz ADMNQHTZPZZPEY-ZDUSSCGKSA-N 0 3 238.375 2.119 10 0 BEAEHN N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000044232229 343495984 /nfs/dbraw/zinc/49/59/84/343495984.db2.gz GDDRJIHKCNSDRF-SECBINFHSA-N 0 3 220.099 2.376 10 0 BEAEHN CC1(C)[C@@H](NCc2nccs2)[C@@H]2CCO[C@@H]21 ZINC000082944253 343472143 /nfs/dbraw/zinc/47/21/43/343472143.db2.gz PAXOGBAWNAARRK-LSJOCFKGSA-N 0 3 238.356 2.046 10 0 BEAEHN CC[C@H](NC)c1nc2c(cccc2F)[nH]1 ZINC000044624016 343510239 /nfs/dbraw/zinc/51/02/39/343510239.db2.gz ZOOYTIQIYQZKSW-QMMMGPOBSA-N 0 3 207.252 2.373 10 0 BEAEHN Cc1cc(N[C@@H]2CCN(C)C2)nc(C(C)C)n1 ZINC000042548075 187265315 /nfs/dbraw/zinc/26/53/15/187265315.db2.gz UMUJBMQPTLNRJV-LLVKDONJSA-N 0 3 234.347 2.024 10 0 BEAEHN CC(C)N(Cc1cccs1)C(=O)C(C)(C)N ZINC000042519346 187265948 /nfs/dbraw/zinc/26/59/48/187265948.db2.gz LJDWGTRHTFAMCX-UHFFFAOYSA-N 0 3 240.372 2.222 10 0 BEAEHN COC[C@@]1(C(C)C)NCCc2ccsc21 ZINC000712512364 537786738 /nfs/dbraw/zinc/78/67/38/537786738.db2.gz HEYHVLMGXWSEKJ-LBPRGKRZSA-N 0 3 225.357 2.392 10 0 BEAEHN c1cc2c(s1)[C@@H]([C@@H]1CCCO1)NCC2 ZINC000712526229 537790535 /nfs/dbraw/zinc/79/05/35/537790535.db2.gz HQVQQLYPGMZOFA-VHSXEESVSA-N 0 3 209.314 2.114 10 0 BEAEHN c1cc2c(s1)[C@H]([C@H]1CCCO1)NCC2 ZINC000712526232 537790798 /nfs/dbraw/zinc/79/07/98/537790798.db2.gz HQVQQLYPGMZOFA-ZJUUUORDSA-N 0 3 209.314 2.114 10 0 BEAEHN CO[C@@H](C)[C@]1(C)NCCc2ccsc21 ZINC000712553344 537793473 /nfs/dbraw/zinc/79/34/73/537793473.db2.gz QNGKNLHYZHEMHY-KWQFWETISA-N 0 3 211.330 2.144 10 0 BEAEHN c1cc2c(s1)[C@]1(CO[C@H](C3CC3)C1)NCC2 ZINC000712523758 537790296 /nfs/dbraw/zinc/79/02/96/537790296.db2.gz SMZVVGQKYRCZRW-AAEUAGOBSA-N 0 3 235.352 2.288 10 0 BEAEHN FC1(F)CC[C@@H]([C@@H]2NCCc3nc[nH]c32)C1 ZINC000712970865 537796030 /nfs/dbraw/zinc/79/60/30/537796030.db2.gz MGIJDAIWYZWYQU-APPZFPTMSA-N 0 3 227.258 2.032 10 0 BEAEHN Cc1ccc2c(c1)C(=O)[C@@H]1CCN(C)C[C@H]21 ZINC000197987186 343656578 /nfs/dbraw/zinc/65/65/78/343656578.db2.gz KITDGEPUMMGWBK-DGCLKSJQSA-N 0 3 215.296 2.227 10 0 BEAEHN CC[C@@H](N[C@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676857 343727637 /nfs/dbraw/zinc/72/76/37/343727637.db2.gz FZLAJAZMEOGKMC-LDYMZIIASA-N 0 3 240.734 2.255 10 0 BEAEHN Cc1ccc(Cc2noc([C@@H]3CCCN3)n2)cc1 ZINC000051752386 187271488 /nfs/dbraw/zinc/27/14/88/187271488.db2.gz SKAISRWLFRXINA-LBPRGKRZSA-N 0 3 243.310 2.393 10 0 BEAEHN C[C@@H](N)c1cnc(N2CCC(C)CC2)s1 ZINC000054864122 187271781 /nfs/dbraw/zinc/27/17/81/187271781.db2.gz RIAYSXCSGZCRJN-SECBINFHSA-N 0 3 225.361 2.399 10 0 BEAEHN CCN1CCC[C@@H]1CNc1cc(Cl)ncn1 ZINC000048631191 343782046 /nfs/dbraw/zinc/78/20/46/343782046.db2.gz HRDAHJBBYRQTGU-SECBINFHSA-N 0 3 240.738 2.026 10 0 BEAEHN CCn1c2ncccc2nc1[C@@H](N)CC(C)C ZINC000111349106 343786352 /nfs/dbraw/zinc/78/63/52/343786352.db2.gz GGURNKRKVZFNHB-JTQLQIEISA-N 0 3 232.331 2.497 10 0 BEAEHN Cc1nc(N)cc(N(C)Cc2ccccc2)n1 ZINC000127236781 343787254 /nfs/dbraw/zinc/78/72/54/343787254.db2.gz YRVFMCFHKCMOTM-UHFFFAOYSA-N 0 3 228.299 2.004 10 0 BEAEHN NC[C@@H](F)Cc1ccc(Br)cc1 ZINC000156345247 343791147 /nfs/dbraw/zinc/79/11/47/343791147.db2.gz WPJBQHXNPIIBFF-VIFPVBQESA-N 0 3 232.096 2.288 10 0 BEAEHN NC[C@@H](F)Cc1ccccc1Br ZINC000156342149 343791329 /nfs/dbraw/zinc/79/13/29/343791329.db2.gz MZGQMDXXCVFCCO-QMMMGPOBSA-N 0 3 232.096 2.288 10 0 BEAEHN CC(C)Cc1cc(CN)nc(C2CC2)n1 ZINC000409440120 343854404 /nfs/dbraw/zinc/85/44/04/343854404.db2.gz VVTYNJCJNTZKNL-UHFFFAOYSA-N 0 3 205.305 2.011 10 0 BEAEHN CNCc1c(C(F)(F)F)n[nH]c1C(C)C ZINC000409440830 343855955 /nfs/dbraw/zinc/85/59/55/343855955.db2.gz VBXXYVNGLQROAC-UHFFFAOYSA-N 0 3 221.226 2.271 10 0 BEAEHN NCc1cnc(-c2ccco2)c(Cl)c1 ZINC000409436597 343839275 /nfs/dbraw/zinc/83/92/75/343839275.db2.gz LTXCDOXSIRHQFO-UHFFFAOYSA-N 0 3 208.648 2.454 10 0 BEAEHN CN[C@H](Cc1ccc(F)cc1)c1nccn1C ZINC000069473517 537821920 /nfs/dbraw/zinc/82/19/20/537821920.db2.gz KIBJDPKTDDWUAY-GFCCVEGCSA-N 0 3 233.290 2.062 10 0 BEAEHN CNCc1c(C(F)(F)F)n[nH]c1C1CCC1 ZINC000409439571 343847858 /nfs/dbraw/zinc/84/78/58/343847858.db2.gz PSUAZPWONQXOPH-UHFFFAOYSA-N 0 3 233.237 2.415 10 0 BEAEHN NCc1cc(Cc2ccsc2)nc(C2CC2)n1 ZINC000409439610 343847968 /nfs/dbraw/zinc/84/79/68/343847968.db2.gz SNCBPUUWOPXJAX-UHFFFAOYSA-N 0 3 245.351 2.465 10 0 BEAEHN CNCc1cc(-c2cccs2)nn1CCF ZINC000409444050 343863650 /nfs/dbraw/zinc/86/36/50/343863650.db2.gz ZIOALPXQBODFOF-UHFFFAOYSA-N 0 3 239.319 2.301 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)OC[C@@H](N)CO2 ZINC000409443112 343865469 /nfs/dbraw/zinc/86/54/69/343865469.db2.gz HESVYGNFZSIILG-JTQLQIEISA-N 0 3 221.300 2.083 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)OC[C@H](N)CO2 ZINC000409443113 343865539 /nfs/dbraw/zinc/86/55/39/343865539.db2.gz HESVYGNFZSIILG-SNVBAGLBSA-N 0 3 221.300 2.083 10 0 BEAEHN CC(C)Cn1nc(-c2ccccn2)cc1CN ZINC000409443346 343867211 /nfs/dbraw/zinc/86/72/11/343867211.db2.gz LMQWZLWBKBLWPT-UHFFFAOYSA-N 0 3 230.315 2.060 10 0 BEAEHN CNCc1cc(C(F)(F)F)nn1CC(C)C ZINC000409443356 343867273 /nfs/dbraw/zinc/86/72/73/343867273.db2.gz LOXDPURAUZBEJQ-UHFFFAOYSA-N 0 3 235.253 2.277 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)NCCC1CCCC1 ZINC000040464131 187354479 /nfs/dbraw/zinc/35/44/79/187354479.db2.gz DYJUPYUOGZCNJV-LLVKDONJSA-N 0 3 226.364 2.056 10 0 BEAEHN NCc1ccnn1Cc1ccc(Cl)s1 ZINC000070708232 343954788 /nfs/dbraw/zinc/95/47/88/343954788.db2.gz CAJLDFMFHWYRSI-UHFFFAOYSA-N 0 3 227.720 2.105 10 0 BEAEHN C/C=C/C(=O)N1CCCc2c(CN)cccc21 ZINC000616569640 344171126 /nfs/dbraw/zinc/17/11/26/344171126.db2.gz BQNZLUCKXFBNLS-GORDUTHDSA-N 0 3 230.311 2.001 10 0 BEAEHN COC(C)(C)C[C@H]1NC[C@H](C)CS1 ZINC000234656805 344174119 /nfs/dbraw/zinc/17/41/19/344174119.db2.gz OPHADAUENBYTOI-IUCAKERBSA-N 0 3 203.351 2.100 10 0 BEAEHN CCCCCNCc1cnc2ccnn2c1 ZINC000310002559 344155863 /nfs/dbraw/zinc/15/58/63/344155863.db2.gz FJJMEVXFTKQDLV-UHFFFAOYSA-N 0 3 218.304 2.009 10 0 BEAEHN CCC[C@H](C)CN1CCCC[C@@H]1C(=O)OC ZINC000131093077 344229357 /nfs/dbraw/zinc/22/93/57/344229357.db2.gz FRMHTFATAARHDN-NWDGAFQWSA-N 0 3 227.348 2.450 10 0 BEAEHN CC[C@@H](C)c1nc([C@H](N)C(C)(C)C)n[nH]1 ZINC000616573875 344186306 /nfs/dbraw/zinc/18/63/06/344186306.db2.gz LURSKXHDOOSSRV-SFYZADRCSA-N 0 3 210.325 2.364 10 0 BEAEHN C[C@@H](O)CN(C)Cc1ccnc2ccccc12 ZINC000092364539 344294240 /nfs/dbraw/zinc/29/42/40/344294240.db2.gz UNAOBNDYVIWPBQ-LLVKDONJSA-N 0 3 230.311 2.047 10 0 BEAEHN C[C@@H]1C[C@@H](C)N(CC(=O)C2CCCC2)C1 ZINC000158061281 344332640 /nfs/dbraw/zinc/33/26/40/344332640.db2.gz GTBXIQCGTYUWDQ-GHMZBOCLSA-N 0 3 209.333 2.476 10 0 BEAEHN Cc1cc(C)c2c(c1)[C@H](N)CCC[S@]2=O ZINC000040974538 187290724 /nfs/dbraw/zinc/29/07/24/187290724.db2.gz ZGDKHQZNOPRNSF-ABAIWWIYSA-N 0 3 223.341 2.205 10 0 BEAEHN C[C@@](F)(CN)[C@@H]1CCOC2(CCC2)C1 ZINC000158252503 344575229 /nfs/dbraw/zinc/57/52/29/344575229.db2.gz MNSSQPJTIIOEJO-NXEZZACHSA-N 0 3 201.285 2.023 10 0 BEAEHN Fc1ccc(F)c([C@@]2(F)CCNC2)c1 ZINC000158184574 344561226 /nfs/dbraw/zinc/56/12/26/344561226.db2.gz MATXFBAEOQTDFJ-SNVBAGLBSA-N 0 3 201.191 2.123 10 0 BEAEHN N#Cc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000381985938 347057605 /nfs/dbraw/zinc/05/76/05/347057605.db2.gz GOOFBNTYTVQHNU-ZWKOPEQDSA-N 0 3 216.284 2.429 10 0 BEAEHN C[C@H]1CCC[C@]2(CC1)NCCc1nc[nH]c12 ZINC000400386591 537853735 /nfs/dbraw/zinc/85/37/35/537853735.db2.gz NJUVMKOCGYUMAS-GXFFZTMASA-N 0 3 219.332 2.351 10 0 BEAEHN C[C@H]1CCC[C@@]2(CC1)NCCc1nc[nH]c12 ZINC000400386589 537855603 /nfs/dbraw/zinc/85/56/03/537855603.db2.gz NJUVMKOCGYUMAS-GWCFXTLKSA-N 0 3 219.332 2.351 10 0 BEAEHN CCCc1cccc(CN[C@@H]2C[C@H]2CO)c1 ZINC000309487943 347074480 /nfs/dbraw/zinc/07/44/80/347074480.db2.gz WBKWNAZSOSEAQY-UONOGXRCSA-N 0 3 219.328 2.110 10 0 BEAEHN CCN1c2ccccc2C2(CCN(C)CC2)C1=O ZINC000118591557 344808565 /nfs/dbraw/zinc/80/85/65/344808565.db2.gz VLHNEJBGTUICKX-UHFFFAOYSA-N 0 3 244.338 2.017 10 0 BEAEHN FC(F)(F)c1cccc(COC2CNC2)c1 ZINC000062809882 347082168 /nfs/dbraw/zinc/08/21/68/347082168.db2.gz DNRLEPKJQJABTA-UHFFFAOYSA-N 0 3 231.217 2.194 10 0 BEAEHN Cc1csc([C@]2(N)CCS[C@H]2C)n1 ZINC000235341787 344890356 /nfs/dbraw/zinc/89/03/56/344890356.db2.gz OAQYDMYYJBOQSI-CBAPKCEASA-N 0 3 214.359 2.131 10 0 BEAEHN Cn1cccc1[C@H](N)COc1ccccc1 ZINC000011848718 345031416 /nfs/dbraw/zinc/03/14/16/345031416.db2.gz VEWYHFIGTBDTJM-GFCCVEGCSA-N 0 3 216.284 2.104 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1nn(C)c2ccccc12 ZINC000082432805 345060575 /nfs/dbraw/zinc/06/05/75/345060575.db2.gz KZDFSZQRCXODTG-MWLCHTKSSA-N 0 3 215.300 2.071 10 0 BEAEHN CCN1CCC[C@H]1CN(C)Cc1nccs1 ZINC000135117744 345432762 /nfs/dbraw/zinc/43/27/62/345432762.db2.gz XMSZOBJGIHHAQH-NSHDSACASA-N 0 3 239.388 2.059 10 0 BEAEHN CC(C)CCCNC(=O)[C@]1(C)CCCCN1 ZINC000159565978 345442952 /nfs/dbraw/zinc/44/29/52/345442952.db2.gz HEGOUNQQHVIUEA-ZDUSSCGKSA-N 0 3 226.364 2.071 10 0 BEAEHN Clc1ccc(N2C[C@H]3CCC[C@@H](C2)N3)nc1 ZINC000139946351 345698950 /nfs/dbraw/zinc/69/89/50/345698950.db2.gz HMFSWEFOJYSNEA-PHIMTYICSA-N 0 3 237.734 2.066 10 0 BEAEHN C=Cn1c(CO)cc2c1[C@@H](C)CN(C)[C@H]2C ZINC000257354044 345774354 /nfs/dbraw/zinc/77/43/54/345774354.db2.gz VJWGFAWQJOZHCK-UWVGGRQHSA-N 0 3 220.316 2.191 10 0 BEAEHN C1CN[C@@H](c2nc(C3CCSCC3)no2)C1 ZINC000258886642 345787050 /nfs/dbraw/zinc/78/70/50/345787050.db2.gz NOIIJRSIDFPTSU-SECBINFHSA-N 0 3 239.344 2.105 10 0 BEAEHN NC1(c2nc3c(s2)CSCC3)CCC1 ZINC000061713598 345844540 /nfs/dbraw/zinc/84/45/40/345844540.db2.gz FRAWITKSWXYUGW-UHFFFAOYSA-N 0 3 226.370 2.270 10 0 BEAEHN CC[C@H]1CCC(=O)[C@H](CN(C)[C@@H](C)COC)C1 ZINC000053928613 187311498 /nfs/dbraw/zinc/31/14/98/187311498.db2.gz JYWIEWFGPHGLGX-AVGNSLFASA-N 0 3 241.375 2.349 10 0 BEAEHN CNc1cc(NCC(C)C)nc(C2CC2)n1 ZINC000087908950 345940297 /nfs/dbraw/zinc/94/02/97/345940297.db2.gz GHANWDNTQLLSRX-UHFFFAOYSA-N 0 3 220.320 2.464 10 0 BEAEHN CNc1cc(N2CCC[C@H](C)C2)nc(C)n1 ZINC000087805983 345940844 /nfs/dbraw/zinc/94/08/44/345940844.db2.gz FMMITGYKQZIDNC-VIFPVBQESA-N 0 3 220.320 2.063 10 0 BEAEHN Brc1c[nH]c(CNC2CC2)c1 ZINC000148363364 346061977 /nfs/dbraw/zinc/06/19/77/346061977.db2.gz SCUBDEHCHCKDPJ-UHFFFAOYSA-N 0 3 215.094 2.029 10 0 BEAEHN CCc1oc(C2CCOCC2)cc1CN ZINC000675054578 537947326 /nfs/dbraw/zinc/94/73/26/537947326.db2.gz OLNLUXNKTGORLT-UHFFFAOYSA-N 0 3 209.289 2.195 10 0 BEAEHN Cc1cc(Br)cc2nc(N)[nH]c21 ZINC000158921479 346200275 /nfs/dbraw/zinc/20/02/75/346200275.db2.gz HTXFZLGBGYXXBP-UHFFFAOYSA-N 0 3 226.077 2.216 10 0 BEAEHN Cc1cc(Br)cc2[nH]c(N)nc21 ZINC000158921479 346200277 /nfs/dbraw/zinc/20/02/77/346200277.db2.gz HTXFZLGBGYXXBP-UHFFFAOYSA-N 0 3 226.077 2.216 10 0 BEAEHN CC(C)N(C)c1nc2c(s1)[C@H](N)CCC2 ZINC000054864365 187318416 /nfs/dbraw/zinc/31/84/16/187318416.db2.gz PZRBVYZFURNIHX-MRVPVSSYSA-N 0 3 225.361 2.324 10 0 BEAEHN C[C@H]1c2ccccc2N(C2CCN(C)CC2)C1=O ZINC000167634922 346293287 /nfs/dbraw/zinc/29/32/87/346293287.db2.gz GJTDDMXNSDGENN-NSHDSACASA-N 0 3 244.338 2.231 10 0 BEAEHN Nc1ccncc1-c1cc(Cl)cnc1F ZINC000725241200 537977826 /nfs/dbraw/zinc/97/78/26/537977826.db2.gz ALXAEWLXVPTFGF-UHFFFAOYSA-N 0 3 223.638 2.349 10 0 BEAEHN CN[C@@H](C)c1cnc(C(F)(F)F)s1 ZINC000159601075 346426420 /nfs/dbraw/zinc/42/64/20/346426420.db2.gz RYGDQGQDXNNPPQ-BYPYZUCNSA-N 0 3 210.224 2.442 10 0 BEAEHN O=C(c1ccc(Cl)cc1F)[C@H]1CCCN1 ZINC000167665928 346456895 /nfs/dbraw/zinc/45/68/95/346456895.db2.gz XFPQNKKWUHGCOZ-SNVBAGLBSA-N 0 3 227.666 2.414 10 0 BEAEHN NC[C@@H](F)Cc1ccc(F)cc1Cl ZINC000162849271 346540383 /nfs/dbraw/zinc/54/03/83/346540383.db2.gz RRBXAFZFSNSGBE-QMMMGPOBSA-N 0 3 205.635 2.318 10 0 BEAEHN COC1CCC2(CC1)N[C@@H](C)CCS2 ZINC000164327362 346600443 /nfs/dbraw/zinc/60/04/43/346600443.db2.gz XHVAOUZLOQFAKR-WHXUTIOJSA-N 0 3 215.362 2.387 10 0 BEAEHN COC[C@@H](C)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000187304079 346568679 /nfs/dbraw/zinc/56/86/79/346568679.db2.gz FZPSPAMIGXUFPH-WCQYABFASA-N 0 3 237.347 2.219 10 0 BEAEHN COc1ccc(F)cc1-c1cncc(CN)c1 ZINC000166490361 346677738 /nfs/dbraw/zinc/67/77/38/346677738.db2.gz SAPXUUKQOUTSFY-UHFFFAOYSA-N 0 3 232.258 2.355 10 0 BEAEHN Cc1cccc(OCCN2CCC[C@@H](O)[C@@H]2C)c1 ZINC000295093504 179165856 /nfs/dbraw/zinc/16/58/56/179165856.db2.gz AHARWPSWWKWASW-DZGCQCFKSA-N 0 3 249.354 2.219 10 0 BEAEHN C[C@@]1(CCC(F)(F)F)NCCc2nc[nH]c21 ZINC000725242760 537986980 /nfs/dbraw/zinc/98/69/80/537986980.db2.gz QPEZXERBFSOWSJ-VIFPVBQESA-N 0 3 233.237 2.113 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1NCc1nnc(C2CC2)n1C ZINC000184586464 347168289 /nfs/dbraw/zinc/16/82/89/347168289.db2.gz FSKKGZWXTJOKMA-PWSUYJOCSA-N 0 3 248.374 2.361 10 0 BEAEHN Cc1cccc([C@@H](CO)NC2CC2)c1C ZINC000043316228 179185285 /nfs/dbraw/zinc/18/52/85/179185285.db2.gz QXZNWTQJMAPGQU-CYBMUJFWSA-N 0 3 205.301 2.089 10 0 BEAEHN CC[C@@H](NCc1ncnn1CC)C(C)(C)C ZINC000310038787 347222674 /nfs/dbraw/zinc/22/26/74/347222674.db2.gz WKLOHEGRXCFVGV-SNVBAGLBSA-N 0 3 224.352 2.212 10 0 BEAEHN c1cc2c(o1)[C@]1(C[C@H]3CCC[C@@H]31)NCC2 ZINC000725242874 537987868 /nfs/dbraw/zinc/98/78/68/537987868.db2.gz MGKWTTNDGRCWHT-NTZNESFSSA-N 0 3 203.285 2.441 10 0 BEAEHN N=C(N)c1cc(Br)c(Cl)s1 ZINC000227915837 347254286 /nfs/dbraw/zinc/25/42/86/347254286.db2.gz DULDPFCUMCRXFK-UHFFFAOYSA-N 0 3 239.525 2.448 10 0 BEAEHN Cc1cccc([C@H](C)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000133045051 179197715 /nfs/dbraw/zinc/19/77/15/179197715.db2.gz XYKUUYKVFSWHSL-JSGCOSHPSA-N 0 3 246.354 2.266 10 0 BEAEHN Cc1cccc2c(N[C@@H](C)CO)ccnc12 ZINC000091485283 179212498 /nfs/dbraw/zinc/21/24/98/179212498.db2.gz PEMZFOMYWUKCIR-JTQLQIEISA-N 0 3 216.284 2.336 10 0 BEAEHN CC(C)N1CCC([S@](=N)(=O)C(C)C)CC1 ZINC000616568190 347444632 /nfs/dbraw/zinc/44/46/32/347444632.db2.gz FUQSNFQXNVYIFL-OAHLLOKOSA-N 0 3 232.393 2.314 10 0 BEAEHN Cc1ccccc1C1CC(NCc2nc[nH]n2)C1 ZINC000037919692 179256334 /nfs/dbraw/zinc/25/63/34/179256334.db2.gz QXHPXJQDUYXQMI-UHFFFAOYSA-N 0 3 242.326 2.149 10 0 BEAEHN Cc1ccccc1C1CC([NH2+]Cc2nnc[n-]2)C1 ZINC000037919692 179256335 /nfs/dbraw/zinc/25/63/35/179256335.db2.gz QXHPXJQDUYXQMI-UHFFFAOYSA-N 0 3 242.326 2.149 10 0 BEAEHN Cc1ccccc1C1CC(NCc2nnc[nH]2)C1 ZINC000037919692 179256336 /nfs/dbraw/zinc/25/63/36/179256336.db2.gz QXHPXJQDUYXQMI-UHFFFAOYSA-N 0 3 242.326 2.149 10 0 BEAEHN Cc1ccccc1CN(CCC(C)C)C(=O)CN ZINC000076634872 179271992 /nfs/dbraw/zinc/27/19/92/179271992.db2.gz JUEFVDUKVAIMDM-UHFFFAOYSA-N 0 3 248.370 2.328 10 0 BEAEHN Cc1nn(Cc2ccccc2C)c(C)c1CN ZINC000036868350 179295155 /nfs/dbraw/zinc/29/51/55/179295155.db2.gz WWNTWWAPSMEXJT-UHFFFAOYSA-N 0 3 229.327 2.315 10 0 BEAEHN Cc1ccccc1C[C@@H](N)c1cnccn1 ZINC000037467137 179289522 /nfs/dbraw/zinc/28/95/22/179289522.db2.gz PJJRNUCVDCTFJU-GFCCVEGCSA-N 0 3 213.284 2.028 10 0 BEAEHN Cc1ccccc1[C@@H]1CNC(C)(C)CO1 ZINC000011803199 179330436 /nfs/dbraw/zinc/33/04/36/179330436.db2.gz LEZSNFRSMUMORM-LBPRGKRZSA-N 0 3 205.301 2.435 10 0 BEAEHN Cc1ccccc1[C@H](N)COC[C@@H]1CCCO1 ZINC000019394062 179343243 /nfs/dbraw/zinc/34/32/43/179343243.db2.gz VOBDFOVCKJPFBK-GXTWGEPZSA-N 0 3 235.327 2.190 10 0 BEAEHN Cc1c2c(ccc1Cl)[C@@]1(C[C@@H]1N)CN2 ZINC000725247084 538012253 /nfs/dbraw/zinc/01/22/53/538012253.db2.gz GUUNLCLDKACBFW-GXSJLCMTSA-N 0 3 208.692 2.043 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000054075301 348877767 /nfs/dbraw/zinc/87/77/67/348877767.db2.gz AVDAUUFKIPBFHK-OCCSQVGLSA-N 0 3 246.354 2.266 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccccc1OC(C)C ZINC000054072798 348888493 /nfs/dbraw/zinc/88/84/93/348888493.db2.gz PUZAURSLIUNWKB-SNVBAGLBSA-N 0 3 236.315 2.020 10 0 BEAEHN Cc1cccc(CN)c1OC(F)(F)F ZINC000616575260 349089894 /nfs/dbraw/zinc/08/98/94/349089894.db2.gz BFVNQTBEHMDWKG-UHFFFAOYSA-N 0 3 205.179 2.352 10 0 BEAEHN CCOc1c(CN)cccc1OC(F)(F)F ZINC000616579338 349134606 /nfs/dbraw/zinc/13/46/06/349134606.db2.gz BRPUCZBJDLUNNP-UHFFFAOYSA-N 0 3 235.205 2.443 10 0 BEAEHN COc1cc2cc(N)nc(C)c2cc1OC ZINC000059074297 349202559 /nfs/dbraw/zinc/20/25/59/349202559.db2.gz FJFREVVCARYUDZ-UHFFFAOYSA-N 0 3 218.256 2.143 10 0 BEAEHN CCOc1ccc(CN)c(OC(F)(F)F)c1 ZINC000616580575 349258039 /nfs/dbraw/zinc/25/80/39/349258039.db2.gz YYXDIOFNKZOABH-UHFFFAOYSA-N 0 3 235.205 2.443 10 0 BEAEHN FC1(CNC[C@H]2CCCO2)CCCC1 ZINC000616580936 349262679 /nfs/dbraw/zinc/26/26/79/349262679.db2.gz ACBYRBSCGQZDOU-SNVBAGLBSA-N 0 3 201.285 2.037 10 0 BEAEHN CCN1CCCC[C@@H]1c1ccccc1C(N)=O ZINC000616613784 350066813 /nfs/dbraw/zinc/06/68/13/350066813.db2.gz ALVBSCJHSBYISD-CYBMUJFWSA-N 0 3 232.327 2.332 10 0 BEAEHN CC(C)(C)CC[C@](C)(N)c1ncccn1 ZINC000725255069 538050049 /nfs/dbraw/zinc/05/00/49/538050049.db2.gz QKIDRHNVRRAVAR-LBPRGKRZSA-N 0 3 207.321 2.477 10 0 BEAEHN Cc1nc(N2CCCC2)nc(C)c1CNC(C)C ZINC000054854327 180001204 /nfs/dbraw/zinc/00/12/04/180001204.db2.gz PDUFUEXIBPOSIT-UHFFFAOYSA-N 0 3 248.374 2.192 10 0 BEAEHN Cc1nc(N2CCC[C@@H](C)C2)sc1CN ZINC000054995548 180002929 /nfs/dbraw/zinc/00/29/29/180002929.db2.gz JJKIILUXHFFTFE-MRVPVSSYSA-N 0 3 225.361 2.147 10 0 BEAEHN Cc1nc([C@@H](C)c2ccccc2)c(N)n1C ZINC000104912094 180039652 /nfs/dbraw/zinc/03/96/52/180039652.db2.gz RWLQIDMTWSFBSF-VIFPVBQESA-N 0 3 215.300 2.463 10 0 BEAEHN Cc1nc([C@@H](N)Cc2ccccc2)[nH]c1C ZINC000036873968 180039697 /nfs/dbraw/zinc/03/96/97/180039697.db2.gz PFGRACVBXDCHKR-LBPRGKRZSA-N 0 3 215.300 2.269 10 0 BEAEHN Cc1nc([C@@]2(N)CCCSC2)sc1C ZINC000061590698 180046885 /nfs/dbraw/zinc/04/68/85/180046885.db2.gz MTWYYMYSIAAZGA-SNVBAGLBSA-N 0 3 228.386 2.441 10 0 BEAEHN C=Cn1cc(CN[C@H]2C[C@@H]2CCC)cn1 ZINC000219389497 350125332 /nfs/dbraw/zinc/12/53/32/350125332.db2.gz KXRRXVYUCNLLHW-RYUDHWBXSA-N 0 3 205.305 2.262 10 0 BEAEHN C[C@@H](CCNCc1ccc(F)cc1)[S@@](C)=O ZINC000132575239 191033637 /nfs/dbraw/zinc/03/36/37/191033637.db2.gz WPPUYROIJFTKKP-QFYYESIMSA-N 0 3 243.347 2.072 10 0 BEAEHN Cc1nc2cc(Br)c(N)cc2[nH]1 ZINC000082360174 180075799 /nfs/dbraw/zinc/07/57/99/180075799.db2.gz GNKQZSUIRICSDH-UHFFFAOYSA-N 0 3 226.077 2.216 10 0 BEAEHN Cc1ncc(CN[C@@H]2CCCCC[C@@H]2O)s1 ZINC000040997924 180155747 /nfs/dbraw/zinc/15/57/47/180155747.db2.gz UJAOTFWMSYJIIQ-NEPJUHHUSA-N 0 3 240.372 2.235 10 0 BEAEHN Cc1ncc(N(C)C)n1-c1ccccc1 ZINC000039104999 180164390 /nfs/dbraw/zinc/16/43/90/180164390.db2.gz FKADWEUNBPGPDA-UHFFFAOYSA-N 0 3 201.273 2.247 10 0 BEAEHN Cc1nccc(CNCC2CCCCC2)n1 ZINC000037997788 180189365 /nfs/dbraw/zinc/18/93/65/180189365.db2.gz WMETWTNQKWHXHK-UHFFFAOYSA-N 0 3 219.332 2.455 10 0 BEAEHN Cc1nccnc1NCc1ccc2c(c1)CNC2 ZINC000097830167 180278172 /nfs/dbraw/zinc/27/81/72/180278172.db2.gz OITPNRVTVQRNTE-UHFFFAOYSA-N 0 3 240.310 2.000 10 0 BEAEHN Cc1nccnc1[C@H](C)NC[C@@H]1C[C@@H]1C ZINC000219113872 180283604 /nfs/dbraw/zinc/28/36/04/180283604.db2.gz JXZDRMIRQABUKB-LSJOCFKGSA-N 0 3 205.305 2.092 10 0 BEAEHN Cc1nccnc1[C@H](C)NC[C@H]1C[C@@H]1C ZINC000219114006 180284377 /nfs/dbraw/zinc/28/43/77/180284377.db2.gz JXZDRMIRQABUKB-INTQDDNPSA-N 0 3 205.305 2.092 10 0 BEAEHN Cc1nn(-c2ccccc2)c2ncc(CN)cc12 ZINC000104321606 180331080 /nfs/dbraw/zinc/33/10/80/180331080.db2.gz LSNKCHQZDWZERP-UHFFFAOYSA-N 0 3 238.294 2.188 10 0 BEAEHN C[C@]1(C(=O)c2cccc(F)c2)CCCN1 ZINC000226491950 350436671 /nfs/dbraw/zinc/43/66/71/350436671.db2.gz VIKQZTVPWDQCDC-GFCCVEGCSA-N 0 3 207.248 2.151 10 0 BEAEHN Cc1nn(C)c(C)c1[C@H](C)N[C@H]1CC1(C)C ZINC000045172930 180348923 /nfs/dbraw/zinc/34/89/23/180348923.db2.gz URKWWFQWIJTTDW-KWQFWETISA-N 0 3 221.348 2.486 10 0 BEAEHN CC(C)Nc1nc(NN)c(Cl)cc1Cl ZINC000226648876 350445175 /nfs/dbraw/zinc/44/51/75/350445175.db2.gz WVXFLXVNLGPMLC-UHFFFAOYSA-N 0 3 235.118 2.494 10 0 BEAEHN NCc1cc(C(F)(F)F)nn1C1CCCC1 ZINC000409444005 350483117 /nfs/dbraw/zinc/48/31/17/350483117.db2.gz YJTIBONSALJFAP-UHFFFAOYSA-N 0 3 233.237 2.476 10 0 BEAEHN Cc1nn(CC2CCCC2)c(C)c1CN ZINC000042375129 180386499 /nfs/dbraw/zinc/38/64/99/180386499.db2.gz XOXADOSSSZAHOE-UHFFFAOYSA-N 0 3 207.321 2.149 10 0 BEAEHN CCN1CCO[C@@H](c2ccc(N)cc2)CC1 ZINC000616593671 350583602 /nfs/dbraw/zinc/58/36/02/350583602.db2.gz KYSPAMASDONYJQ-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)N1CCO[C@@H](c2cccc(CO)c2)CC1 ZINC000616594310 350593911 /nfs/dbraw/zinc/59/39/11/350593911.db2.gz QAAGNFYLAVAAPK-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(=O)Nc1cccc([C@H]2CCN(C)CCO2)c1 ZINC000616595844 350611545 /nfs/dbraw/zinc/61/15/45/350611545.db2.gz ZBJSMSFRWUVSPT-CQSZACIVSA-N 0 3 248.326 2.038 10 0 BEAEHN CCN1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000112075770 350652506 /nfs/dbraw/zinc/65/25/06/350652506.db2.gz NCZGYXBOIYVRSP-LBPRGKRZSA-N 0 3 246.358 2.250 10 0 BEAEHN CCN1CCOCC[C@H]1c1ccccc1CCO ZINC000616597724 350652965 /nfs/dbraw/zinc/65/29/65/350652965.db2.gz JDCHZHOYRBXXKL-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CC(C)N1CCOCC[C@@H]1c1ccccn1 ZINC000616598131 350654808 /nfs/dbraw/zinc/65/48/08/350654808.db2.gz FZYWDWBYAYWJDE-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CN1CCCOC[C@@H]1c1cccc2ccnnc21 ZINC000616598424 350669206 /nfs/dbraw/zinc/66/92/06/350669206.db2.gz AEGYTYCWBFEMKT-CYBMUJFWSA-N 0 3 243.310 2.023 10 0 BEAEHN CCN1CCCOC[C@@H]1c1ccccc1CCO ZINC000616598443 350671029 /nfs/dbraw/zinc/67/10/29/350671029.db2.gz ATVCUXCHQWBQFJ-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN c1cc2ccncc2c([C@H]2COCCCN2)c1 ZINC000616599726 350755183 /nfs/dbraw/zinc/75/51/83/350755183.db2.gz OBIYSAWXUJYXJC-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN O=C1SC[C@@H]2N1CCCNC21CCCCC1 ZINC000005006832 191121343 /nfs/dbraw/zinc/12/13/43/191121343.db2.gz PDUXQYOMACFBNY-JTQLQIEISA-N 0 3 240.372 2.220 10 0 BEAEHN CCN1CCNC[C@H]1c1cncc2ccccc21 ZINC000616603156 350789378 /nfs/dbraw/zinc/78/93/78/350789378.db2.gz FLQYHTYRLHAZQW-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@H](c2cncc3ccccc32)C1 ZINC000616602629 350791744 /nfs/dbraw/zinc/79/17/44/350791744.db2.gz MADLUWMLKTYRKF-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@H](c2ccnc3ccccc32)C1 ZINC000616604594 350793386 /nfs/dbraw/zinc/79/33/86/350793386.db2.gz WVUPSSZIDSMOLH-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)(C)N1CCC[C@H]1c1cncnc1 ZINC000616607543 350801158 /nfs/dbraw/zinc/80/11/58/350801158.db2.gz JWEZMFYSBWMWOZ-NSHDSACASA-N 0 3 205.305 2.412 10 0 BEAEHN CC(C)(C)N1CCC[C@@H]1c1ccnnc1 ZINC000616608378 350804578 /nfs/dbraw/zinc/80/45/78/350804578.db2.gz SENABEAXUDADPG-LLVKDONJSA-N 0 3 205.305 2.412 10 0 BEAEHN CN1CC[C@H](c2cnnc3ccccc32)C1 ZINC000616610202 350808718 /nfs/dbraw/zinc/80/87/18/350808718.db2.gz KOQIEQCTNFSGQK-JTQLQIEISA-N 0 3 213.284 2.049 10 0 BEAEHN CN1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616611285 350810853 /nfs/dbraw/zinc/81/08/53/350810853.db2.gz AJXVQDYOFAAJMK-CYBMUJFWSA-N 0 3 205.301 2.336 10 0 BEAEHN CN1CCCC[C@H]1c1cccc(CO)c1 ZINC000616615049 350844558 /nfs/dbraw/zinc/84/45/58/350844558.db2.gz AJXVQDYOFAAJMK-ZDUSSCGKSA-N 0 3 205.301 2.336 10 0 BEAEHN CC(C)N1CCCC[C@H]1c1ccnnc1 ZINC000616615215 350845466 /nfs/dbraw/zinc/84/54/66/350845466.db2.gz GMXBVYCFHADBIJ-LBPRGKRZSA-N 0 3 205.305 2.412 10 0 BEAEHN CC(C)N1CCCC[C@H]1c1cncnc1 ZINC000616615773 350850443 /nfs/dbraw/zinc/85/04/43/350850443.db2.gz RZUABZOOMHZXAU-LBPRGKRZSA-N 0 3 205.305 2.412 10 0 BEAEHN CCN1CCCC[C@H]1c1cccc(N)n1 ZINC000616615820 350851384 /nfs/dbraw/zinc/85/13/84/350851384.db2.gz UJNINOZFZRJCAV-NSHDSACASA-N 0 3 205.305 2.211 10 0 BEAEHN CCON[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000306727931 350898593 /nfs/dbraw/zinc/89/85/93/350898593.db2.gz MZEFPICFRQAWPS-OCCSQVGLSA-N 0 3 234.343 2.191 10 0 BEAEHN NCc1c(F)c(F)ccc1OC(F)F ZINC000306717355 350877657 /nfs/dbraw/zinc/87/76/57/350877657.db2.gz HNUYDRMROBHKSM-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN CN1CCCCC[C@H]1c1cccc(N)n1 ZINC000616620239 350938624 /nfs/dbraw/zinc/93/86/24/350938624.db2.gz DPNBNRVAKCZBGV-NSHDSACASA-N 0 3 205.305 2.211 10 0 BEAEHN Cc1cc([C@H](N)[C@@H]2CCSC2)sn1 ZINC000306769251 351001857 /nfs/dbraw/zinc/00/18/57/351001857.db2.gz ATTZLICAFWHDIB-VXNVDRBHSA-N 0 3 214.359 2.204 10 0 BEAEHN CO[C@@H](C)[C@@]1(C)NCCc2sccc21 ZINC000306770568 351003994 /nfs/dbraw/zinc/00/39/94/351003994.db2.gz FXVRGCLXMRXQKR-GZMMTYOYSA-N 0 3 211.330 2.144 10 0 BEAEHN CNc1ccccc1[C@@H]1CN(C(C)(C)C)CCN1 ZINC000616631979 351109742 /nfs/dbraw/zinc/10/97/42/351109742.db2.gz CCVWTZOHVRZQCO-AWEZNQCLSA-N 0 3 247.386 2.473 10 0 BEAEHN COc1ccccc1[C@@H]1CN(C(C)(C)C)CCN1 ZINC000616632030 351110219 /nfs/dbraw/zinc/11/02/19/351110219.db2.gz DWBUXIFTGTWMMI-ZDUSSCGKSA-N 0 3 248.370 2.440 10 0 BEAEHN CCN1CCN[C@H](c2ccc3ccccc3n2)C1 ZINC000616633065 351114546 /nfs/dbraw/zinc/11/45/46/351114546.db2.gz ZCVJAQPHJVRENZ-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN OCCN1CCC[C@@H]1c1cncc2ccccc21 ZINC000616634549 351117123 /nfs/dbraw/zinc/11/71/23/351117123.db2.gz SSRXEYUQXZVBRH-OAHLLOKOSA-N 0 3 242.322 2.364 10 0 BEAEHN CC(C)(C)N1CCOCC[C@@H]1c1cccnc1N ZINC000616655384 351192760 /nfs/dbraw/zinc/19/27/60/351192760.db2.gz CQDGETJZOFGTMO-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2cccnn2)C1 ZINC000616653671 351193614 /nfs/dbraw/zinc/19/36/14/351193614.db2.gz TUHGGGSUYZSBDB-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CCN1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616649962 351172600 /nfs/dbraw/zinc/17/26/00/351172600.db2.gz RMUGJYFCKSDQQP-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN c1ccc2c(c1)ccnc2[C@@H]1COCCCN1 ZINC000616648657 351176245 /nfs/dbraw/zinc/17/62/45/351176245.db2.gz UHDPIHDLLIBSAQ-ZDUSSCGKSA-N 0 3 228.295 2.286 10 0 BEAEHN CCN1CCCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616649929 351180912 /nfs/dbraw/zinc/18/09/12/351180912.db2.gz QGGINHVMWJYFMF-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2ccncc2)C1 ZINC000616652753 351185795 /nfs/dbraw/zinc/18/57/95/351185795.db2.gz JNBPNLDSOYSKBT-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc2cnccc2c1 ZINC000616637300 351132357 /nfs/dbraw/zinc/13/23/57/351132357.db2.gz JGVMXSLXGOMCDA-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCNC[C@H]1c1cnc2ccccc2c1 ZINC000616637193 351133689 /nfs/dbraw/zinc/13/36/89/351133689.db2.gz IVZKJTZRVBSJKV-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN COc1cccc([C@H]2CNCCN2C(C)(C)C)c1 ZINC000616637857 351136193 /nfs/dbraw/zinc/13/61/93/351136193.db2.gz RZTKIUOPJQXSEC-CQSZACIVSA-N 0 3 248.370 2.440 10 0 BEAEHN C[C@H]1CN=C(NCCC(F)(F)F)S1 ZINC000063100807 351140523 /nfs/dbraw/zinc/14/05/23/351140523.db2.gz BLKAQYLYEWDUHY-YFKPBYRVSA-N 0 3 212.240 2.020 10 0 BEAEHN NC[C@@H](F)CCCOCc1ccccc1 ZINC000306866381 351251679 /nfs/dbraw/zinc/25/16/79/351251679.db2.gz NRSMIDPBSZYKHR-LBPRGKRZSA-N 0 3 211.280 2.280 10 0 BEAEHN CCN1CCO[C@H](c2ccc(OC)cc2)CC1 ZINC000616684125 351255192 /nfs/dbraw/zinc/25/51/92/351255192.db2.gz CSPCCTUOZRZPKS-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2cocn2)CC1 ZINC000616686946 351257434 /nfs/dbraw/zinc/25/74/34/351257434.db2.gz MIRYJVBNZPWIBQ-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN CCN1CCO[C@H](c2cccc(CCO)c2)CC1 ZINC000616687393 351258591 /nfs/dbraw/zinc/25/85/91/351258591.db2.gz XFHSWMOSNNXUST-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN COc1ccc([C@@H]2CCN(C)CCO2)cc1 ZINC000616687464 351258798 /nfs/dbraw/zinc/25/87/98/351258798.db2.gz ZMLLNIVBNLGXGE-ZDUSSCGKSA-N 0 3 221.300 2.088 10 0 BEAEHN COc1ccc([C@H]2CCOCCN2C)cc1 ZINC000616656747 351196772 /nfs/dbraw/zinc/19/67/72/351196772.db2.gz ZZDYFBAXFXNWBG-CYBMUJFWSA-N 0 3 221.300 2.088 10 0 BEAEHN CC(C)N1CCCC[C@@H](c2conn2)C1 ZINC000616657138 351198448 /nfs/dbraw/zinc/19/84/48/351198448.db2.gz ZKGCHSVBZFGLNI-SNVBAGLBSA-N 0 3 209.293 2.048 10 0 BEAEHN CC(C)(C)N1CCOCC[C@@H]1c1ccnnc1 ZINC000616655947 351201885 /nfs/dbraw/zinc/20/18/85/351201885.db2.gz NWEHBBYXSIYUEA-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CNc1cccc([C@@H]2CCOCCN2C)c1 ZINC000616656303 351202433 /nfs/dbraw/zinc/20/24/33/351202433.db2.gz FETTXJIQVWEJOI-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CCN1CCOC[C@H](c2cccc(F)c2)C1 ZINC000616661539 351209782 /nfs/dbraw/zinc/20/97/82/351209782.db2.gz UHSUEDYBZBWCAQ-GFCCVEGCSA-N 0 3 223.291 2.261 10 0 BEAEHN CC(C)N1CCOC[C@H](c2cccc(N)c2)C1 ZINC000616662008 351216710 /nfs/dbraw/zinc/21/67/10/351216710.db2.gz YMPZONYYQYMDIT-CYBMUJFWSA-N 0 3 234.343 2.093 10 0 BEAEHN N[C@@H](c1occc1Br)C1CC1 ZINC000068982356 351319593 /nfs/dbraw/zinc/31/95/93/351319593.db2.gz NGCOWSGLZFLACX-SSDOTTSWSA-N 0 3 216.078 2.452 10 0 BEAEHN Cc1nc([C@H](N)[C@@]2(C)C[C@@H]2F)cs1 ZINC000306879704 351271227 /nfs/dbraw/zinc/27/12/27/351271227.db2.gz FCRNBTASBNUTDY-CIUDSAMLSA-N 0 3 200.282 2.199 10 0 BEAEHN CN[C@H]1COc2cc(Br)c(C)cc21 ZINC000306975743 351396307 /nfs/dbraw/zinc/39/63/07/351396307.db2.gz AAYZGHKXRMZCQP-VIFPVBQESA-N 0 3 242.116 2.410 10 0 BEAEHN C[C@]1([C@@H](N)c2ccns2)CCCS1 ZINC000306981183 351400890 /nfs/dbraw/zinc/40/08/90/351400890.db2.gz HLUWDBDYYSRBEN-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN CN[C@H](C1=CCCO1)[C@@H]1CCCCS1 ZINC000168246173 351352005 /nfs/dbraw/zinc/35/20/05/351352005.db2.gz UPACIEAOYXDUSL-WDEREUQCSA-N 0 3 213.346 2.164 10 0 BEAEHN CCC[C@@H](CNCc1cnn(C)c1C)OCC ZINC000623598799 363035981 /nfs/dbraw/zinc/03/59/81/363035981.db2.gz NYNRZZZAMAVGLV-ZDUSSCGKSA-N 0 3 239.363 2.023 10 0 BEAEHN CC(C)Nc1ncc(CN)cc1Br ZINC000307012662 351420261 /nfs/dbraw/zinc/42/02/61/351420261.db2.gz LDDMJMPSWGQKHV-UHFFFAOYSA-N 0 3 244.136 2.123 10 0 BEAEHN Clc1ccccc1CC[C@@H]1COCCN1 ZINC000071532527 180594654 /nfs/dbraw/zinc/59/46/54/180594654.db2.gz NTVTYWLWDIVPJE-LLVKDONJSA-N 0 3 225.719 2.261 10 0 BEAEHN C[C@]1([C@@H]2NCCCS2)CCCS1 ZINC000307167328 351537272 /nfs/dbraw/zinc/53/72/72/351537272.db2.gz RGHHWPOIJVGIBE-RKDXNWHRSA-N 0 3 203.376 2.325 10 0 BEAEHN COCc1nc(CNCC2CC=CC2)cs1 ZINC000623613177 363052862 /nfs/dbraw/zinc/05/28/62/363052862.db2.gz DDRCFRCOPOQACQ-UHFFFAOYSA-N 0 3 238.356 2.345 10 0 BEAEHN N[C@@H](c1cnsc1)[C@@H]1CCCCS1 ZINC000404592659 351593624 /nfs/dbraw/zinc/59/36/24/351593624.db2.gz MIUJBLYJQKYFNB-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN CC[C@@H]1CSC(N[C@H]2CCS[C@H]2C)=N1 ZINC000307220064 351620576 /nfs/dbraw/zinc/62/05/76/351620576.db2.gz OPQCEAMDAWSCIT-YIZRAAEISA-N 0 3 230.402 2.351 10 0 BEAEHN CC[C@@H]1CSC(N[C@H]2CCS[C@@H]2C)=N1 ZINC000307220060 351621084 /nfs/dbraw/zinc/62/10/84/351621084.db2.gz OPQCEAMDAWSCIT-HLTSFMKQSA-N 0 3 230.402 2.351 10 0 BEAEHN CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000307237977 351727460 /nfs/dbraw/zinc/72/74/60/351727460.db2.gz OPTTWYSPCFWJGJ-MNOVXSKESA-N 0 3 240.347 2.090 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@H](CC)c1ccccc1 ZINC000637904265 351773667 /nfs/dbraw/zinc/77/36/67/351773667.db2.gz IAIDEWCZVWDXDV-DGCLKSJQSA-N 0 3 234.343 2.252 10 0 BEAEHN CC[C@H](NC(=O)[C@H](N)CCC(C)C)C(C)C ZINC000637950647 351824861 /nfs/dbraw/zinc/82/48/61/351824861.db2.gz HZEWCEPGEMTBNS-NEPJUHHUSA-N 0 3 228.380 2.301 10 0 BEAEHN O=C1CCCC[C@@H]1N1CC2CCC1CC2 ZINC000307278644 351834294 /nfs/dbraw/zinc/83/42/94/351834294.db2.gz VAJWQQXAVDOEIG-MCIGGMRASA-N 0 3 207.317 2.373 10 0 BEAEHN O=C1CCCC[C@H]1N1CC2CCC1CC2 ZINC000307278643 351834402 /nfs/dbraw/zinc/83/44/02/351834402.db2.gz VAJWQQXAVDOEIG-HTAVTVPLSA-N 0 3 207.317 2.373 10 0 BEAEHN CC(C)CC[C@@H](N)C(=O)N[C@H](C)C1CCCC1 ZINC000637991061 351865026 /nfs/dbraw/zinc/86/50/26/351865026.db2.gz MGDFICXXWRLHAD-DGCLKSJQSA-N 0 3 240.391 2.445 10 0 BEAEHN CCn1cnc(-c2ccc(CN)s2)c1 ZINC000307338648 352059261 /nfs/dbraw/zinc/05/92/61/352059261.db2.gz UWRWCBPGYPEZMQ-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN Cc1ccc([C@H](N)CN2CCOC[C@@H]2C)cc1C ZINC000035775423 187595390 /nfs/dbraw/zinc/59/53/90/187595390.db2.gz DIGAPXPPPFEMJO-DZGCQCFKSA-N 0 3 248.370 2.024 10 0 BEAEHN CC1(C)CS[C@@H]([C@H]2CCSC2)N1 ZINC000224676243 363117495 /nfs/dbraw/zinc/11/74/95/363117495.db2.gz XUVDSWDTMMMHHZ-YUMQZZPRSA-N 0 3 203.376 2.181 10 0 BEAEHN NCc1ccccc1Oc1nccs1 ZINC000043558602 187605898 /nfs/dbraw/zinc/60/58/98/187605898.db2.gz UTNRJNIEPWMBLY-UHFFFAOYSA-N 0 3 206.270 2.394 10 0 BEAEHN N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000044232233 352222210 /nfs/dbraw/zinc/22/22/10/352222210.db2.gz GDDRJIHKCNSDRF-VIFPVBQESA-N 0 3 220.099 2.376 10 0 BEAEHN C[C@@]1([C@@H](N)c2cscn2)CCCS1 ZINC000307367788 352452663 /nfs/dbraw/zinc/45/26/63/352452663.db2.gz MKNCCARNULNNJD-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@H](N)c1c[nH]c(-c2ncc(Cl)s2)n1 ZINC000307425277 352592508 /nfs/dbraw/zinc/59/25/08/352592508.db2.gz PIYBEODJXHOWND-BYPYZUCNSA-N 0 3 228.708 2.206 10 0 BEAEHN N[C@@H](c1ccns1)[C@@H]1CCCS1 ZINC000307456182 352608312 /nfs/dbraw/zinc/60/83/12/352608312.db2.gz DHTDIUASCSJVSK-POYBYMJQSA-N 0 3 200.332 2.039 10 0 BEAEHN CC[C@@]1(C)CN[C@H]1c1cnc(OC)s1 ZINC000307574764 352658401 /nfs/dbraw/zinc/65/84/01/352658401.db2.gz HPWARQGLGDEJMH-WPRPVWTQSA-N 0 3 212.318 2.212 10 0 BEAEHN CN(C)[C@H](CN)c1cccc(Cl)c1F ZINC000229240007 352664917 /nfs/dbraw/zinc/66/49/17/352664917.db2.gz HODLUOJBEIFNCY-SECBINFHSA-N 0 3 216.687 2.041 10 0 BEAEHN C[C@]1(c2ncc(CN)s2)CCCS1 ZINC000307500535 352627801 /nfs/dbraw/zinc/62/78/01/352627801.db2.gz HTAQCOJONRNSJH-SECBINFHSA-N 0 3 214.359 2.344 10 0 BEAEHN OCc1ccc(CN2C[C@H]3CCC[C@H]32)cc1 ZINC000334191396 352781856 /nfs/dbraw/zinc/78/18/56/352781856.db2.gz JTRWVEFUVHOAOK-ZIAGYGMSSA-N 0 3 217.312 2.163 10 0 BEAEHN CC(C)[C@@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000319011027 538106111 /nfs/dbraw/zinc/10/61/11/538106111.db2.gz PJESMXHPGHOUCU-BDAKNGLRSA-N 0 3 225.254 2.030 10 0 BEAEHN CC(C)CNc1cc(N)ncc1Br ZINC000307057320 353051966 /nfs/dbraw/zinc/05/19/66/353051966.db2.gz YEDBQXMUGGVOOO-UHFFFAOYSA-N 0 3 244.136 2.494 10 0 BEAEHN CCC1(CN2CCCC3(C2)OCCO3)CCC1 ZINC000307082971 353053245 /nfs/dbraw/zinc/05/32/45/353053245.db2.gz UZVSFRBQQJRFAD-UHFFFAOYSA-N 0 3 239.359 2.406 10 0 BEAEHN CC[C@@](C)(N)c1ncc(Cl)cc1F ZINC000307756268 353129337 /nfs/dbraw/zinc/12/93/37/353129337.db2.gz HKDGLBJRYZQFBE-SECBINFHSA-N 0 3 202.660 2.458 10 0 BEAEHN CC[C@](C)(N)c1ncc(Cl)cc1F ZINC000307756269 353129390 /nfs/dbraw/zinc/12/93/90/353129390.db2.gz HKDGLBJRYZQFBE-VIFPVBQESA-N 0 3 202.660 2.458 10 0 BEAEHN CCC[C@H](CC)NCc1c(C)nn(C)c1OC ZINC000105462100 188254420 /nfs/dbraw/zinc/25/44/20/188254420.db2.gz LPHINFUWFATNMH-NSHDSACASA-N 0 3 239.363 2.405 10 0 BEAEHN C[C@H]1NCCO[C@H]1c1ccc(Cl)cc1 ZINC000003604767 188276094 /nfs/dbraw/zinc/27/60/94/188276094.db2.gz LKRMGIFWZXHLGL-LDYMZIIASA-N 0 3 211.692 2.389 10 0 BEAEHN COc1ccc(N)cc1CN(C)C(C)C ZINC000036722223 188278898 /nfs/dbraw/zinc/27/88/98/188278898.db2.gz QFSCTNVSIIMGFC-UHFFFAOYSA-N 0 3 208.305 2.118 10 0 BEAEHN CC(C)[C@H](N)c1nc2c(cccc2F)[nH]1 ZINC000037442381 188280681 /nfs/dbraw/zinc/28/06/81/188280681.db2.gz KIONXDXSSDUOGF-VIFPVBQESA-N 0 3 207.252 2.358 10 0 BEAEHN CC(C)C[C@H](N)C(=O)Nc1cc(F)ccc1F ZINC000019474382 188281220 /nfs/dbraw/zinc/28/12/20/188281220.db2.gz VDADCUYSCBYSJY-JTQLQIEISA-N 0 3 242.269 2.277 10 0 BEAEHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccccc1N ZINC000036786514 188286290 /nfs/dbraw/zinc/28/62/90/188286290.db2.gz JOSSDHGMFSJIKR-NSHDSACASA-N 0 3 249.358 2.184 10 0 BEAEHN CCCCOC[C@H](N)c1ccc2c(c1)OCO2 ZINC000037093473 188286606 /nfs/dbraw/zinc/28/66/06/188286606.db2.gz SJLPNLOWZVTYSR-NSHDSACASA-N 0 3 237.299 2.232 10 0 BEAEHN CCCn1cnnc1[C@]1(N)CCC[C@H](C)C1 ZINC000054497873 188300264 /nfs/dbraw/zinc/30/02/64/188300264.db2.gz DYJGNQFVQCCFCM-JQWIXIFHSA-N 0 3 222.336 2.052 10 0 BEAEHN CC(=O)CCN(C)Cc1ccc(C)s1 ZINC000102774582 188322515 /nfs/dbraw/zinc/32/25/15/188322515.db2.gz XQKNALRNZHROCR-UHFFFAOYSA-N 0 3 211.330 2.467 10 0 BEAEHN Cc1ccc(Br)c(CN)c1F ZINC000075844817 188308942 /nfs/dbraw/zinc/30/89/42/188308942.db2.gz DOTIHHCSFFANIS-UHFFFAOYSA-N 0 3 218.069 2.355 10 0 BEAEHN CC(C)C[C@@H]1CO[C@H](c2ccco2)CN1 ZINC000040796991 188319732 /nfs/dbraw/zinc/31/97/32/188319732.db2.gz ATDXHZPFHHQKKN-PWSUYJOCSA-N 0 3 209.289 2.355 10 0 BEAEHN CC1(C)SC[C@@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000309754876 188346796 /nfs/dbraw/zinc/34/67/96/188346796.db2.gz HJFAZQBRCUFAIE-ONGXEEELSA-N 0 3 237.372 2.271 10 0 BEAEHN CC1(C)CC[C@H]1N[C@@H](CO)CC(F)(F)F ZINC000336760303 188348804 /nfs/dbraw/zinc/34/88/04/188348804.db2.gz MDXVVHRFKIWJHY-HTQZYQBOSA-N 0 3 225.254 2.078 10 0 BEAEHN CC(C)[C@@H](N)c1nncn1C1CCCC1 ZINC000054526415 188355092 /nfs/dbraw/zinc/35/50/92/188355092.db2.gz XNTBFTONAPTPQV-SNVBAGLBSA-N 0 3 208.309 2.049 10 0 BEAEHN CC(C)C[C@H](N)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366346258 188368745 /nfs/dbraw/zinc/36/87/45/188368745.db2.gz KSEJRHUFJRVJEY-AGIUHOORSA-N 0 3 238.375 2.151 10 0 BEAEHN CC(C)C(=O)CN1CCSC(C)(C)CC1 ZINC000231055951 353558514 /nfs/dbraw/zinc/55/85/14/353558514.db2.gz DEGVXYUUUBIWIY-UHFFFAOYSA-N 0 3 229.389 2.429 10 0 BEAEHN Cn1ncc(Cl)c1[C@H](N)CC1CCC1 ZINC000232184093 353705398 /nfs/dbraw/zinc/70/53/98/353705398.db2.gz OUXVELKBLCRBGS-SECBINFHSA-N 0 3 213.712 2.264 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2NCCC(C)C ZINC000190778992 353723619 /nfs/dbraw/zinc/72/36/19/353723619.db2.gz ANAOMNFVIVWBMV-LLVKDONJSA-N 0 3 222.336 2.057 10 0 BEAEHN CN([C@H]1CCSC1)[C@H]1CCCCCC1=O ZINC000252439832 363249863 /nfs/dbraw/zinc/24/98/63/363249863.db2.gz TWJLVFWRYMETTG-QWRGUYRKSA-N 0 3 227.373 2.326 10 0 BEAEHN Cc1nc([C@H](C)N2CC3(CCC3)C[C@H]2C)n[nH]1 ZINC000334645878 354435759 /nfs/dbraw/zinc/43/57/59/354435759.db2.gz PQMYGWOJJRBDTF-ZJUUUORDSA-N 0 3 234.347 2.439 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cc(C)nn1C ZINC000233307129 363398545 /nfs/dbraw/zinc/39/85/45/363398545.db2.gz YYIBAJOFTDAOTC-ZYHUDNBSSA-N 0 3 207.321 2.007 10 0 BEAEHN CCN1CCC[C@@H](N[C@@H](C)c2cccnc2)C1 ZINC000040502186 358493049 /nfs/dbraw/zinc/49/30/49/358493049.db2.gz JIIISOGSMPUZSM-GXTWGEPZSA-N 0 3 233.359 2.217 10 0 BEAEHN CCN1CCC[C@H](NCc2ccccc2OC)C1 ZINC000040502035 358493115 /nfs/dbraw/zinc/49/31/15/358493115.db2.gz KXHQRPZSIMGRFQ-AWEZNQCLSA-N 0 3 248.370 2.269 10 0 BEAEHN CCN1CCC[C@H](NCc2cnc(C)s2)C1 ZINC000040502995 358493798 /nfs/dbraw/zinc/49/37/98/358493798.db2.gz PORNHQTXJNSOQL-NSHDSACASA-N 0 3 239.388 2.025 10 0 BEAEHN N=C(N)c1cc(Oc2ccccc2)ccn1 ZINC000061814467 181193766 /nfs/dbraw/zinc/19/37/66/181193766.db2.gz TVIWUOCEYXJYSO-UHFFFAOYSA-N 0 3 213.240 2.158 10 0 BEAEHN N=C(N)c1cccnc1Oc1ccc(F)cc1F ZINC000019505458 181196077 /nfs/dbraw/zinc/19/60/77/181196077.db2.gz CFSOEGLJAAWEGV-UHFFFAOYSA-N 0 3 249.220 2.436 10 0 BEAEHN CC1Oc2cc(F)c(Cl)cc2C1=O ZINC000134373820 355590266 /nfs/dbraw/zinc/59/02/66/355590266.db2.gz QIXCQYWPKWRJNK-BYPYZUCNSA-N 0 3 200.596 2.443 10 0 BEAEHN CN[C@H]1COc2cc(F)c(Cl)cc21 ZINC000134374214 355591619 /nfs/dbraw/zinc/59/16/19/355591619.db2.gz QDYMHIKNNLXPAB-QMMMGPOBSA-N 0 3 201.628 2.132 10 0 BEAEHN C/C(=C/Cl)CN[C@H]1COC(C)(C)C1 ZINC000396559808 356482322 /nfs/dbraw/zinc/48/23/22/356482322.db2.gz SICRBWAWPUGVNI-BZJXQOFCSA-N 0 3 203.713 2.286 10 0 BEAEHN C[C@H]1CC[C@@H](O)CN1CCOCC1CCCC1 ZINC000421028834 192310286 /nfs/dbraw/zinc/31/02/86/192310286.db2.gz UQTWQVAUNVDPPV-GXTWGEPZSA-N 0 3 241.375 2.038 10 0 BEAEHN CCN(Cc1csc(CN)n1)CC(C)C ZINC000052449746 538470537 /nfs/dbraw/zinc/47/05/37/538470537.db2.gz MNMVPPGWQIVKRX-UHFFFAOYSA-N 0 3 227.377 2.080 10 0 BEAEHN CCOc1ccc([C@@H](C)NCCCOC)o1 ZINC000675056131 538477937 /nfs/dbraw/zinc/47/79/37/538477937.db2.gz CVZHJLYFJFKCMS-SNVBAGLBSA-N 0 3 227.304 2.365 10 0 BEAEHN Cc1cn2c(n1)[C@H](CC(C)C)NCCC2 ZINC000675068378 538496497 /nfs/dbraw/zinc/49/64/97/538496497.db2.gz PRNLISKVSDINQX-NSHDSACASA-N 0 3 207.321 2.272 10 0 BEAEHN CCc1cn2c(n1)[C@@H](CCSC)NCCC2 ZINC000675068600 538497215 /nfs/dbraw/zinc/49/72/15/538497215.db2.gz QYRLMFCUPHTLGS-LLVKDONJSA-N 0 3 239.388 2.233 10 0 BEAEHN Cc1cn2c(n1)[C@H](CC1CC1)NCCC2 ZINC000675067366 538493236 /nfs/dbraw/zinc/49/32/36/538493236.db2.gz BDQIKWLFXXGSQO-NSHDSACASA-N 0 3 205.305 2.026 10 0 BEAEHN CC(C)C(=O)O[C@H]1CCCN2CCCC[C@@H]12 ZINC000003631424 356676643 /nfs/dbraw/zinc/67/66/43/356676643.db2.gz AKINKDOLVIOTCB-RYUDHWBXSA-N 0 3 225.332 2.203 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)C1CC1 ZINC000167854831 134154269 /nfs/dbraw/zinc/15/42/69/134154269.db2.gz XRKJTIYSTMVKOQ-GXSJLCMTSA-N 0 3 234.347 2.064 10 0 BEAEHN CN(CCOc1cncc(Cl)c1)C1CC1 ZINC000675077124 538512665 /nfs/dbraw/zinc/51/26/65/538512665.db2.gz YFURFNLVFJNZOD-UHFFFAOYSA-N 0 3 226.707 2.208 10 0 BEAEHN C[C@]1(CC2CCCC2)NCCc2nc[nH]c21 ZINC000221389257 538559787 /nfs/dbraw/zinc/55/97/87/538559787.db2.gz UUZIWTBSEDJGLF-CYBMUJFWSA-N 0 3 219.332 2.351 10 0 BEAEHN C[C@@]1(CC2CCCC2)NCCc2nc[nH]c21 ZINC000221389199 538559798 /nfs/dbraw/zinc/55/97/98/538559798.db2.gz UUZIWTBSEDJGLF-ZDUSSCGKSA-N 0 3 219.332 2.351 10 0 BEAEHN COc1ccc([C@H]2C[C@@H](F)CN2)cc1OC ZINC000675082638 538523579 /nfs/dbraw/zinc/52/35/79/538523579.db2.gz RNRNPNYBVVKFSV-NXEZZACHSA-N 0 3 225.263 2.076 10 0 BEAEHN Cc1cc(C#N)ccc1CN1CCC[C@@H](O)[C@@H]1C ZINC000384955057 356815091 /nfs/dbraw/zinc/81/50/91/356815091.db2.gz VUVPZLXDNPFHLP-SWLSCSKDSA-N 0 3 244.338 2.212 10 0 BEAEHN CC[C@@H](O)CN1CCC(c2nccs2)CC1 ZINC000363286050 356953441 /nfs/dbraw/zinc/95/34/41/356953441.db2.gz AHVSXEVMMMCBKR-LLVKDONJSA-N 0 3 240.372 2.093 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCC1CC1 ZINC000085697066 357554571 /nfs/dbraw/zinc/55/45/71/357554571.db2.gz XCMAOHZLRWTTCU-TZMCWYRMSA-N 0 3 222.376 2.345 10 0 BEAEHN CSCCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000085697063 357554624 /nfs/dbraw/zinc/55/46/24/357554624.db2.gz QKKJJDPGHJXLNK-QWHCGFSZSA-N 0 3 242.432 2.298 10 0 BEAEHN O=C(CC1CCC1)Nc1cccc2c1CNCC2 ZINC000232165649 357652959 /nfs/dbraw/zinc/65/29/59/357652959.db2.gz AEPNQVUDGDFANT-UHFFFAOYSA-N 0 3 244.338 2.461 10 0 BEAEHN Cc1cncc(CN2CCCN(C3CC3)CC2)c1 ZINC000189825721 357673275 /nfs/dbraw/zinc/67/32/75/357673275.db2.gz JWSWLIKJVJFFMX-UHFFFAOYSA-N 0 3 245.370 2.060 10 0 BEAEHN C[C@@H]1C[C@H](O)CCN1CCCOc1ccccc1 ZINC000639941709 357952831 /nfs/dbraw/zinc/95/28/31/357952831.db2.gz OZCRXBQEJDENJP-ZIAGYGMSSA-N 0 3 249.354 2.301 10 0 BEAEHN C[C@H](CN(C)C)Nc1cc(Cl)nnc1Cl ZINC000169018135 358009310 /nfs/dbraw/zinc/00/93/10/358009310.db2.gz RNPOUCNHROYGCR-ZCFIWIBFSA-N 0 3 249.145 2.145 10 0 BEAEHN CCC[C@H](C(=O)NCC1(CC)CC1)N(C)C ZINC000133770765 325318427 /nfs/dbraw/zinc/31/84/27/325318427.db2.gz ALKIFWVMWREQMO-LLVKDONJSA-N 0 3 226.364 2.023 10 0 BEAEHN CCC[C@@H](N)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000037807174 358086704 /nfs/dbraw/zinc/08/67/04/358086704.db2.gz RJIDIYXASWHFPH-NXEZZACHSA-N 0 3 214.353 2.007 10 0 BEAEHN C[C@@H](NCc1ccc[nH]1)[C@H](O)c1ccccc1 ZINC000584596091 358253782 /nfs/dbraw/zinc/25/37/82/358253782.db2.gz MXSFBJQVSIKKTL-RISCZKNCSA-N 0 3 230.311 2.226 10 0 BEAEHN C[C@@H]1OC[C@]2(CCCN(Cc3ccccc3)C2)O1 ZINC000584615228 358279962 /nfs/dbraw/zinc/27/99/62/358279962.db2.gz TYZIYEJBPXZPLX-UKRRQHHQSA-N 0 3 247.338 2.414 10 0 BEAEHN CN(C)[C@@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000584625404 358294187 /nfs/dbraw/zinc/29/41/87/358294187.db2.gz OBINUSWGLHKRHV-UONOGXRCSA-N 0 3 219.328 2.338 10 0 BEAEHN c1cc2c3c(c1)[C@@H](C1CC1)CCN3CCNC2 ZINC000584640336 358326528 /nfs/dbraw/zinc/32/65/28/358326528.db2.gz YPASNLLLQIMLSM-CYBMUJFWSA-N 0 3 228.339 2.494 10 0 BEAEHN C[C@H](O)CCCN(C)Cc1ccc(F)cc1 ZINC000045620660 358564072 /nfs/dbraw/zinc/56/40/72/358564072.db2.gz GBXQVGJVWMURDN-NSHDSACASA-N 0 3 225.307 2.419 10 0 BEAEHN CC[C@@H]1CCCC[C@H]1NCc1nccn1C ZINC000042579258 358526720 /nfs/dbraw/zinc/52/67/20/358526720.db2.gz WTWJYJPWGDHOOR-VXGBXAGGSA-N 0 3 221.348 2.479 10 0 BEAEHN COc1cc([C@H](C)NCC[C@@H](C)O)ccc1F ZINC000212793485 358621979 /nfs/dbraw/zinc/62/19/79/358621979.db2.gz JBWPAYCQTSDOLQ-ZJUUUORDSA-N 0 3 241.306 2.256 10 0 BEAEHN CO[C@H](C)[C@H](C)N[C@@H](CO)c1sccc1C ZINC000130457425 358626376 /nfs/dbraw/zinc/62/63/76/358626376.db2.gz RBMZQQWPQHKDCD-AXFHLTTASA-N 0 3 243.372 2.103 10 0 BEAEHN ClC(Cl)=CCN[C@H]1CCSC1 ZINC000403334974 358629309 /nfs/dbraw/zinc/62/93/09/358629309.db2.gz BAKKVXQRRJCLTM-LURJTMIESA-N 0 3 212.145 2.401 10 0 BEAEHN C[C@H](NCC1(CCO)CCC1)c1nccs1 ZINC000130979170 358655470 /nfs/dbraw/zinc/65/54/70/358655470.db2.gz FCFQJUBXYANDQD-JTQLQIEISA-N 0 3 240.372 2.346 10 0 BEAEHN CC[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131030646 358657969 /nfs/dbraw/zinc/65/79/69/358657969.db2.gz ONNXTAHFIVIHKE-UWVGGRQHSA-N 0 3 222.336 2.064 10 0 BEAEHN COCc1cccc(CNc2nccn2C)c1 ZINC000050606053 358733996 /nfs/dbraw/zinc/73/39/96/358733996.db2.gz CQVHQGCJXRQTSY-UHFFFAOYSA-N 0 3 231.299 2.179 10 0 BEAEHN CCCNCc1nccn1Cc1ccccc1 ZINC000051005341 358742722 /nfs/dbraw/zinc/74/27/22/358742722.db2.gz XSSWGLPPARGEJZ-UHFFFAOYSA-N 0 3 229.327 2.431 10 0 BEAEHN CCOC[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000133991380 358775494 /nfs/dbraw/zinc/77/54/94/358775494.db2.gz KMTKUWKINMGDLA-NXEZZACHSA-N 0 3 226.295 2.296 10 0 BEAEHN c1c[nH]c(CN[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000136725548 358885665 /nfs/dbraw/zinc/88/56/65/358885665.db2.gz DFOXKNYNJRAYNL-GFCCVEGCSA-N 0 3 249.358 2.381 10 0 BEAEHN CN1c2ccccc2[C@@]2(C)CCN[C@]12C ZINC000053993794 358960236 /nfs/dbraw/zinc/96/02/36/358960236.db2.gz CGGSLHUYWLWRBD-CHWSQXEVSA-N 0 3 202.301 2.104 10 0 BEAEHN Cc1cc([C@H](N)[C@H]2CCCS2)sn1 ZINC000306158838 358952258 /nfs/dbraw/zinc/95/22/58/358952258.db2.gz DNJCZBOLGBENPU-VXNVDRBHSA-N 0 3 214.359 2.347 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cnccn1 ZINC000247146781 359196635 /nfs/dbraw/zinc/19/66/35/359196635.db2.gz RFAWCFZPEGSXOY-FMSGJZPZSA-N 0 3 247.342 2.085 10 0 BEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC1CC1 ZINC000248198604 359259007 /nfs/dbraw/zinc/25/90/07/359259007.db2.gz MQCVKTGYTCDIIO-UPJWGTAASA-N 0 3 237.343 2.203 10 0 BEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC1CC1 ZINC000248198605 359259112 /nfs/dbraw/zinc/25/91/12/359259112.db2.gz MQCVKTGYTCDIIO-XQQFMLRXSA-N 0 3 237.343 2.203 10 0 BEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCF ZINC000247304645 359211829 /nfs/dbraw/zinc/21/18/29/359211829.db2.gz UYUMKMUOCUSSAH-TUAOUCFPSA-N 0 3 243.322 2.152 10 0 BEAEHN CCNC(=O)CCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000248338660 359266004 /nfs/dbraw/zinc/26/60/04/359266004.db2.gz HWWAAKFGFGQFDV-WFASDCNBSA-N 0 3 246.354 2.206 10 0 BEAEHN FCCNC1=N[C@@H]2CCCC[C@H]2CS1 ZINC000306226565 359354411 /nfs/dbraw/zinc/35/44/11/359354411.db2.gz VYNOQOPKFTUGSA-DTWKUNHWSA-N 0 3 216.325 2.207 10 0 BEAEHN O=C1CSC(CN2CCCCCC2)=N1 ZINC000306249839 359450126 /nfs/dbraw/zinc/45/01/26/359450126.db2.gz YFBOAXZFDJKOJQ-UHFFFAOYSA-N 0 3 212.318 2.225 10 0 BEAEHN CC(C)Oc1nc(C(F)(F)F)ccc1CN ZINC000086880605 359582356 /nfs/dbraw/zinc/58/23/56/359582356.db2.gz PKDIEHLNBLBBKC-UHFFFAOYSA-N 0 3 234.221 2.346 10 0 BEAEHN N[C@H](c1ccsc1Cl)[C@H]1CCOC1 ZINC000306348021 359667446 /nfs/dbraw/zinc/66/74/46/359667446.db2.gz FYHDENZXAITUDF-XPUUQOCRSA-N 0 3 217.721 2.438 10 0 BEAEHN CC[C@@H]1CCSC(N[C@H]2CCSC2)=N1 ZINC000231359892 359915325 /nfs/dbraw/zinc/91/53/25/359915325.db2.gz VSYYQRVZJXNFKU-BDAKNGLRSA-N 0 3 230.402 2.353 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(F)cn1 ZINC000092196582 360156149 /nfs/dbraw/zinc/15/61/49/360156149.db2.gz FXGJJSAMNALPFM-HOTUBEGUSA-N 0 3 224.279 2.049 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cn(C)nc1C(C)(C)C ZINC000093963518 360292150 /nfs/dbraw/zinc/29/21/50/360292150.db2.gz CWDLLPFZFAAFOV-GXSJLCMTSA-N 0 3 221.348 2.216 10 0 BEAEHN CN[C@H](C)c1c[nH]c(-c2ccsc2)n1 ZINC000306540285 360405697 /nfs/dbraw/zinc/40/56/97/360405697.db2.gz ORONKCPLWFYXSI-SSDOTTSWSA-N 0 3 207.302 2.419 10 0 BEAEHN C[C@](F)([C@H]1CCCN1)C(F)(F)Br ZINC000306581833 360480292 /nfs/dbraw/zinc/48/02/92/360480292.db2.gz QAUALVBSSUOKIV-RITPCOANSA-N 0 3 246.070 2.454 10 0 BEAEHN COC[C@@H](CC(C)C)NCc1ccccn1 ZINC000309478558 491149411 /nfs/dbraw/zinc/14/94/11/491149411.db2.gz SIHQYSGZOYCNJJ-CYBMUJFWSA-N 0 3 222.332 2.232 10 0 BEAEHN CCN1C[C@@H](C)[C@@H](Nc2ncccc2Cl)C1 ZINC000309483173 491149535 /nfs/dbraw/zinc/14/95/35/491149535.db2.gz UITQATLUZDSSCK-KOLCDFICSA-N 0 3 239.750 2.487 10 0 BEAEHN CCc1csc(N[C@@H]2CN(CC)C[C@@H]2C)n1 ZINC000309463588 491149707 /nfs/dbraw/zinc/14/97/07/491149707.db2.gz OQEOTKCTUINMJL-GXSJLCMTSA-N 0 3 239.388 2.458 10 0 BEAEHN CCc1csc(N[C@@H]2CN(CC)C[C@H]2C)n1 ZINC000309463590 491149750 /nfs/dbraw/zinc/14/97/50/491149750.db2.gz OQEOTKCTUINMJL-MWLCHTKSSA-N 0 3 239.388 2.458 10 0 BEAEHN Cc1ccc(C2=N[C@H]3[C@H]4C=C[C@H](C4)[C@H]3N2)cc1 ZINC000064874254 360747910 /nfs/dbraw/zinc/74/79/10/360747910.db2.gz ZGHVOHNJZXNITQ-KPWCQOOUSA-N 0 3 224.307 2.288 10 0 BEAEHN Cc1ncc([C@H](C)N[C@@H]2CCC[C@@H](O)C2)s1 ZINC000309549241 491151096 /nfs/dbraw/zinc/15/10/96/491151096.db2.gz HPPNCCRSBDAXGO-JMJZKYOTSA-N 0 3 240.372 2.406 10 0 BEAEHN C[C@@H]1C[C@H](N)c2cc(Cl)ccc2[S@@]1=O ZINC000040973636 360983101 /nfs/dbraw/zinc/98/31/01/360983101.db2.gz LWTSPODBKHITGB-MIBRVMSUSA-N 0 3 229.732 2.240 10 0 BEAEHN C[C@@H]1CCC[C@H](NCc2cnns2)C1 ZINC000306617398 361173436 /nfs/dbraw/zinc/17/34/36/361173436.db2.gz QOGZDRMAFHGVOT-BDAKNGLRSA-N 0 3 211.334 2.206 10 0 BEAEHN N[C@H](c1nc2c(s1)CCCC2)C1CC1 ZINC000041059401 361221590 /nfs/dbraw/zinc/22/15/90/361221590.db2.gz SONKJVIYOOMHOJ-JTQLQIEISA-N 0 3 208.330 2.432 10 0 BEAEHN NC1(c2c(F)ccc(F)c2F)CCC1 ZINC000075934042 181332756 /nfs/dbraw/zinc/33/27/56/181332756.db2.gz UJNBNXKMMZLAIA-UHFFFAOYSA-N 0 3 201.191 2.442 10 0 BEAEHN Cc1nc(CN[C@H]2CCCC[C@@H]2CO)cs1 ZINC000152322989 201196706 /nfs/dbraw/zinc/19/67/06/201196706.db2.gz ZIXNKIKPAWVXBH-PWSUYJOCSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1c(CN[C@]23C[C@H]2CCCC3)cnn1C ZINC000631225505 361579262 /nfs/dbraw/zinc/57/92/62/361579262.db2.gz JSPOASODDRDYDL-CHWSQXEVSA-N 0 3 219.332 2.151 10 0 BEAEHN CCn1ccnc1-c1csc(CN)c1 ZINC000070601162 361583740 /nfs/dbraw/zinc/58/37/40/361583740.db2.gz ZLVVCNVHVPNGNA-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN COC(C)(C)c1nc([C@@H](C)N)c(C)s1 ZINC000306638988 361585438 /nfs/dbraw/zinc/58/54/38/361585438.db2.gz CMUSDWVUAONUGC-ZCFIWIBFSA-N 0 3 214.334 2.353 10 0 BEAEHN CCCOc1cncc(-c2ncc(CN)s2)c1 ZINC000629734703 361674456 /nfs/dbraw/zinc/67/44/56/361674456.db2.gz VMIMORXPFXOJRM-UHFFFAOYSA-N 0 3 249.339 2.453 10 0 BEAEHN Cc1ccc(CNC[C@H]2CCCC[C@H]2O)cn1 ZINC000156027439 201383368 /nfs/dbraw/zinc/38/33/68/201383368.db2.gz LNBCKRHNUVAFHC-ZIAGYGMSSA-N 0 3 234.343 2.031 10 0 BEAEHN CC[C@@H](C)c1nc([C@@H](N)C(C)(C)C)n[nH]1 ZINC000675060684 541464128 /nfs/dbraw/zinc/46/41/28/541464128.db2.gz LURSKXHDOOSSRV-HTQZYQBOSA-N 0 3 210.325 2.364 10 0 BEAEHN CC(C)c1cccc2cc(CN)c(=O)[nH]c21 ZINC000011980163 541481625 /nfs/dbraw/zinc/48/16/25/541481625.db2.gz IDKVCGIICZCMPG-UHFFFAOYSA-N 0 3 216.284 2.110 10 0 BEAEHN Cc1c(CNC[C@H]2CCCC2(F)F)cnn1C ZINC000381692392 367447130 /nfs/dbraw/zinc/44/71/30/367447130.db2.gz NQZFDRZLLWIAHX-LLVKDONJSA-N 0 3 243.301 2.254 10 0 BEAEHN Cc1c(CNC[C@@H]2CCCC2(F)F)cnn1C ZINC000381692404 367447815 /nfs/dbraw/zinc/44/78/15/367447815.db2.gz NQZFDRZLLWIAHX-NSHDSACASA-N 0 3 243.301 2.254 10 0 BEAEHN CCC(CC)N(CC(C)C)C(=O)[C@@H](C)NC ZINC000086453636 368881517 /nfs/dbraw/zinc/88/15/17/368881517.db2.gz ICWSUFLLDYNQAW-LLVKDONJSA-N 0 3 228.380 2.268 10 0 BEAEHN NCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000095761410 181477496 /nfs/dbraw/zinc/47/74/96/181477496.db2.gz RPUXBIDOELRMCG-UHFFFAOYSA-N 0 3 210.586 2.213 10 0 BEAEHN COc1ccc(CNC2(C3CCC3)CCC2)nn1 ZINC000459758331 203357801 /nfs/dbraw/zinc/35/78/01/203357801.db2.gz PUXXUYPNVVIWQS-UHFFFAOYSA-N 0 3 247.342 2.298 10 0 BEAEHN C[C@H](NCc1cncc(Cl)c1)[C@@H]1CCCO1 ZINC000621277313 370207980 /nfs/dbraw/zinc/20/79/80/370207980.db2.gz GWBHHIPNVUBFAQ-CABZTGNLSA-N 0 3 240.734 2.392 10 0 BEAEHN CC(C)(C)CCCNC(=O)[C@@]1(C)CCCCN1 ZINC000313481586 370590202 /nfs/dbraw/zinc/59/02/02/370590202.db2.gz LYPLJYMSBKBSQN-CQSZACIVSA-N 0 3 240.391 2.461 10 0 BEAEHN CC(C)c1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1 ZINC000623763778 371086268 /nfs/dbraw/zinc/08/62/68/371086268.db2.gz OYIUJBPHHQTZIP-CABCVRRESA-N 0 3 249.354 2.049 10 0 BEAEHN CCn1ccnc1CNCCCCSC ZINC000125257757 371309786 /nfs/dbraw/zinc/30/97/86/371309786.db2.gz DZQUQTLURXECTE-UHFFFAOYSA-N 0 3 227.377 2.136 10 0 BEAEHN F[C@@H]([C@@H]1CCCN1)C(F)(F)Br ZINC000225685580 371565486 /nfs/dbraw/zinc/56/54/86/371565486.db2.gz NDXYGLSYEZVOCJ-WHFBIAKZSA-N 0 3 232.043 2.064 10 0 BEAEHN CCCC(=O)[C@H]1CNCc2ccccc21 ZINC000226387743 371658051 /nfs/dbraw/zinc/65/80/51/371658051.db2.gz MXCGJXQPOWBQFU-LBPRGKRZSA-N 0 3 203.285 2.243 10 0 BEAEHN Cc1sccc1[C@H](N)[C@@H]1CSCCO1 ZINC000227798807 371939756 /nfs/dbraw/zinc/93/97/56/371939756.db2.gz COIXJCCHQBVZLW-UWVGGRQHSA-N 0 3 229.370 2.188 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000627727950 371916896 /nfs/dbraw/zinc/91/68/96/371916896.db2.gz WSFOLERYKYPYNH-VXGBXAGGSA-N 0 3 248.370 2.424 10 0 BEAEHN Cc1cc([C@@H](F)[C@@H]2CCCN2)sn1 ZINC000306346973 372012552 /nfs/dbraw/zinc/01/25/52/372012552.db2.gz BUKOBZFDIOFKGO-CBAPKCEASA-N 0 3 200.282 2.214 10 0 BEAEHN CC(C)(N)c1nc(-c2cscn2)cs1 ZINC000229139354 372122571 /nfs/dbraw/zinc/12/25/71/372122571.db2.gz JZCBRTGUASFJGC-UHFFFAOYSA-N 0 3 225.342 2.460 10 0 BEAEHN C[C@H]1CNC[C@H](c2cccc(Cl)c2)O1 ZINC000032012623 372134410 /nfs/dbraw/zinc/13/44/10/372134410.db2.gz NEOAXIQXEJQMLV-GZMMTYOYSA-N 0 3 211.692 2.389 10 0 BEAEHN O[C@H]1CC[C@H](NCc2cnc(Cl)s2)CC1 ZINC000245224227 373194982 /nfs/dbraw/zinc/19/49/82/373194982.db2.gz SQONRQLNHUZFGN-ZKCHVHJHSA-N 0 3 246.763 2.190 10 0 BEAEHN C(NC1=NC[C@@H](C2CC2)S1)C1CCC1 ZINC000070887696 374224394 /nfs/dbraw/zinc/22/43/94/374224394.db2.gz KKYPXXGSNDBRBN-JTQLQIEISA-N 0 3 210.346 2.258 10 0 BEAEHN Cc1cc(CNCC2C[C@H](C)O[C@@H](C)C2)no1 ZINC000459544150 206134392 /nfs/dbraw/zinc/13/43/92/206134392.db2.gz QGDLJNUKRFLTMY-UWVGGRQHSA-N 0 3 238.331 2.276 10 0 BEAEHN CCOC(=O)[C@H](C)N1CCCCC[C@@H]1C ZINC000001593045 170266558 /nfs/dbraw/zinc/26/65/58/170266558.db2.gz KGURDCFEXZQRQY-QWRGUYRKSA-N 0 3 213.321 2.203 10 0 BEAEHN CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000037619930 169007354 /nfs/dbraw/zinc/00/73/54/169007354.db2.gz VWGMEEKQYMVASP-MNOVXSKESA-N 0 3 238.331 2.283 10 0 BEAEHN OCC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000107980855 183098285 /nfs/dbraw/zinc/09/82/85/183098285.db2.gz YQUPUBCLSHWYSO-GFCCVEGCSA-N 0 3 223.291 2.030 10 0 BEAEHN CCCCc1ccc([C@H](C)NC(=O)CN)cc1 ZINC000107290024 169023393 /nfs/dbraw/zinc/02/33/93/169023393.db2.gz CAHFAEBJUVWULZ-NSHDSACASA-N 0 3 234.343 2.165 10 0 BEAEHN O[C@@H]1CCC[C@@H]1NCc1cc(Cl)cs1 ZINC000193116989 183195989 /nfs/dbraw/zinc/19/59/89/183195989.db2.gz OFWUAUGDTIVBFC-VHSXEESVSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000306645867 183197454 /nfs/dbraw/zinc/19/74/54/183197454.db2.gz FYGATCWFCMOQQG-CYBMUJFWSA-N 0 3 217.312 2.176 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1N1CCc2ccc(F)cc2C1 ZINC000270544789 183189059 /nfs/dbraw/zinc/18/90/59/183189059.db2.gz SBISLWQYZAWJBQ-LSDHHAIUSA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000051996328 183189259 /nfs/dbraw/zinc/18/92/59/183189259.db2.gz XCEUODVXDNSYHI-VHSXEESVSA-N 0 3 229.707 2.326 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccc(F)c(F)c1 ZINC000089164363 183195401 /nfs/dbraw/zinc/19/54/01/183195401.db2.gz CMIMLNNZWPCPDS-ZWNOBZJWSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@@H]1c2ccccc2C[C@@H]1NCc1ccccc1 ZINC000082312731 183214373 /nfs/dbraw/zinc/21/43/73/183214373.db2.gz KYGXIHHOKOKQPH-JKSUJKDBSA-N 0 3 239.318 2.435 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC000125655068 183237906 /nfs/dbraw/zinc/23/79/06/183237906.db2.gz SZUAFLVEZHZUAG-GWCFXTLKSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@H]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC000041225910 183240938 /nfs/dbraw/zinc/24/09/38/183240938.db2.gz XRZQAVLNSRKLHS-QWRGUYRKSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC000041225912 183241448 /nfs/dbraw/zinc/24/14/48/183241448.db2.gz XRZQAVLNSRKLHS-WDEREUQCSA-N 0 3 211.692 2.125 10 0 BEAEHN CCCN(CCN(C)C)[C@H]1CCCCCC1=O ZINC000045664210 169158596 /nfs/dbraw/zinc/15/85/96/169158596.db2.gz IIAAQNSEWHTJPI-ZDUSSCGKSA-N 0 3 240.391 2.162 10 0 BEAEHN Oc1cccc2c1CC[C@H]2NC[C@@H]1CCCO1 ZINC000036852172 183297405 /nfs/dbraw/zinc/29/74/05/183297405.db2.gz HOMOBSPFRSPMOS-GXFFZTMASA-N 0 3 233.311 2.148 10 0 BEAEHN CCCN1CC(c2cccc3n[nH]cc32)C1 ZINC000013987049 169185539 /nfs/dbraw/zinc/18/55/39/169185539.db2.gz UIGHCUQSQGCTBZ-UHFFFAOYSA-N 0 3 215.300 2.372 10 0 BEAEHN CCCN1CCC(N)(c2nc(C)cs2)CC1 ZINC000041059736 169186959 /nfs/dbraw/zinc/18/69/59/169186959.db2.gz MBALNHLDFFQVIS-UHFFFAOYSA-N 0 3 239.388 2.111 10 0 BEAEHN CCCN1CCN([C@H](C)c2ccc(N)cc2)CC1 ZINC000048607929 169203299 /nfs/dbraw/zinc/20/32/99/169203299.db2.gz WWFBOGIMCFGXPN-CYBMUJFWSA-N 0 3 247.386 2.357 10 0 BEAEHN CCCNCC(=O)Nc1ccccc1Cl ZINC000020056578 169255908 /nfs/dbraw/zinc/25/59/08/169255908.db2.gz YLNMPEBALPCAMG-UHFFFAOYSA-N 0 3 226.707 2.278 10 0 BEAEHN c1cc2c(c([C@H]3CCCCN3)c1)OCC2 ZINC000082925815 183366538 /nfs/dbraw/zinc/36/65/38/183366538.db2.gz VFFZSEJMRKCILF-GFCCVEGCSA-N 0 3 203.285 2.436 10 0 BEAEHN CCCN[C@@]1(CO)CCSc2ccccc21 ZINC000038123243 169284130 /nfs/dbraw/zinc/28/41/30/169284130.db2.gz SGEWKCFUBUTVEW-CYBMUJFWSA-N 0 3 237.368 2.370 10 0 BEAEHN CCCN[C@H](C)c1csc(CCOC)n1 ZINC000070841786 169288457 /nfs/dbraw/zinc/28/84/57/169288457.db2.gz PCXSHPQLXXKFGO-SECBINFHSA-N 0 3 228.361 2.393 10 0 BEAEHN CCCNCc1c(C)nc(C2CC2)nc1C ZINC000054854217 169265655 /nfs/dbraw/zinc/26/56/55/169265655.db2.gz PTNMDGWALGOECV-UHFFFAOYSA-N 0 3 219.332 2.470 10 0 BEAEHN CCCNCc1cc(-n2ccnc2C)ccn1 ZINC000051491053 169265722 /nfs/dbraw/zinc/26/57/22/169265722.db2.gz DGUDYZYIKOYKGS-UHFFFAOYSA-N 0 3 230.315 2.075 10 0 BEAEHN CCCNCc1cc(COCCOC)oc1C ZINC000052628189 169266036 /nfs/dbraw/zinc/26/60/36/169266036.db2.gz RDXPDHZZNROJPZ-UHFFFAOYSA-N 0 3 241.331 2.251 10 0 BEAEHN CCCNCc1csc(N2CCCC2)n1 ZINC000070681748 169268721 /nfs/dbraw/zinc/26/87/21/169268721.db2.gz BQLZUAPHKAMPRV-UHFFFAOYSA-N 0 3 225.361 2.243 10 0 BEAEHN CCCNCc1nn(CC)nc1-c1ccccc1 ZINC000045944833 169269607 /nfs/dbraw/zinc/26/96/07/169269607.db2.gz RPJTWOGXUKGQTQ-UHFFFAOYSA-N 0 3 244.342 2.465 10 0 BEAEHN CCCNCc1cnc(OCC)s1 ZINC000045205446 169269834 /nfs/dbraw/zinc/26/98/34/169269834.db2.gz QXBGOEQYCAXORH-UHFFFAOYSA-N 0 3 200.307 2.041 10 0 BEAEHN CCCN[C@@H](C(N)=O)c1csc2ccccc21 ZINC000054464963 169273449 /nfs/dbraw/zinc/27/34/49/169273449.db2.gz LIBCXLOTCAGNML-GFCCVEGCSA-N 0 3 248.351 2.427 10 0 BEAEHN CCCN[C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647799 169283177 /nfs/dbraw/zinc/28/31/77/169283177.db2.gz YEONQCPPXLGMSY-CQSZACIVSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCOCCOCc1occc1CNCC ZINC000111111240 169309628 /nfs/dbraw/zinc/30/96/28/169309628.db2.gz AGONUDMSSSDJNE-UHFFFAOYSA-N 0 3 241.331 2.332 10 0 BEAEHN CCCN[C@H]1CCN(c2ccc(CC)cc2)C1=O ZINC000049647694 169291880 /nfs/dbraw/zinc/29/18/80/169291880.db2.gz KRAIHBVEVFLAIA-AWEZNQCLSA-N 0 3 246.354 2.354 10 0 BEAEHN CCCN[C@H]1COc2c1ccc(F)c2F ZINC000062611351 169292266 /nfs/dbraw/zinc/29/22/66/169292266.db2.gz VRULUSHPKYFCQQ-VIFPVBQESA-N 0 3 213.227 2.398 10 0 BEAEHN CCCN[C@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974197 169292984 /nfs/dbraw/zinc/29/29/84/169292984.db2.gz MCFCTBBRHDFZAV-MEDUHNTESA-N 0 3 241.331 2.378 10 0 BEAEHN CCC[C@@H](C(=O)N1Cc2ccccc2C1)N(C)C ZINC000153093265 169343775 /nfs/dbraw/zinc/34/37/75/169343775.db2.gz NKUQTRPOJMDUNC-AWEZNQCLSA-N 0 3 246.354 2.259 10 0 BEAEHN CCCOc1ccc(NC(=O)[C@@H](C)NC)cc1 ZINC000054076969 169319874 /nfs/dbraw/zinc/31/98/74/169319874.db2.gz HBKMJYNQOKXGNU-SNVBAGLBSA-N 0 3 236.315 2.022 10 0 BEAEHN CCCOc1ccc2c(c1)[C@@H](N)[C@H](C)O2 ZINC000043634438 169323373 /nfs/dbraw/zinc/32/33/73/169323373.db2.gz XEPCSDIGGSISEX-UFBFGSQYSA-N 0 3 207.273 2.256 10 0 BEAEHN CCC[C@@H](C)N(C)c1nc2ccccn2c1CN ZINC000036791334 169366137 /nfs/dbraw/zinc/36/61/37/169366137.db2.gz WZNVSCWSAYKNBJ-LLVKDONJSA-N 0 3 246.358 2.418 10 0 BEAEHN CCC[C@@H](C)N(C)c1ncccc1CNC ZINC000051446297 169366169 /nfs/dbraw/zinc/36/61/69/169366169.db2.gz BMVLVMAXFLODLE-LLVKDONJSA-N 0 3 221.348 2.426 10 0 BEAEHN CCC[C@@H](C(=O)NC[C@H]1CC=CCC1)N(C)C ZINC000120644353 169345519 /nfs/dbraw/zinc/34/55/19/169345519.db2.gz LGBMFVNTXRWWHD-STQMWFEESA-N 0 3 238.375 2.189 10 0 BEAEHN CCN1CCC[C@H](Nc2nc(C(C)C)no2)C1 ZINC000180422925 134327217 /nfs/dbraw/zinc/32/72/17/134327217.db2.gz VGFBPSGXVIULQH-JTQLQIEISA-N 0 3 238.335 2.089 10 0 BEAEHN CCC[C@](C)(N)c1nncn1C1CCCC1 ZINC000054526336 169548682 /nfs/dbraw/zinc/54/86/82/169548682.db2.gz LTNVYOQWJMTUMW-LBPRGKRZSA-N 0 3 222.336 2.367 10 0 BEAEHN CCCc1ccc(OCCNCCOC)cc1 ZINC000053590283 169572388 /nfs/dbraw/zinc/57/23/88/169572388.db2.gz ZVOXXWGIEOEOCD-UHFFFAOYSA-N 0 3 237.343 2.254 10 0 BEAEHN CC(=O)c1cccc2c(CN(C)C)c[nH]c21 ZINC000035635679 383867333 /nfs/dbraw/zinc/86/73/33/383867333.db2.gz PXMCMWMCBGGDAT-UHFFFAOYSA-N 0 3 216.284 2.432 10 0 BEAEHN CN(C)C[C@@]1(F)CCN(Cc2ccccc2)C1 ZINC000575622611 383877012 /nfs/dbraw/zinc/87/70/12/383877012.db2.gz XSUCJUFRUZLKAZ-AWEZNQCLSA-N 0 3 236.334 2.162 10 0 BEAEHN C[C@H](NCC(=O)N1CCCC1)c1cccs1 ZINC000035138560 383834209 /nfs/dbraw/zinc/83/42/09/383834209.db2.gz IQAMYSIHGVMZMC-JTQLQIEISA-N 0 3 238.356 2.021 10 0 BEAEHN Clc1ccc2nc(CNCC3CC3)cn2c1 ZINC000112340551 383919606 /nfs/dbraw/zinc/91/96/06/383919606.db2.gz ZYLVYMRQVRROEY-UHFFFAOYSA-N 0 3 235.718 2.487 10 0 BEAEHN c1ncc(CNCCC2CCCC2)cn1 ZINC000054767906 383978397 /nfs/dbraw/zinc/97/83/97/383978397.db2.gz KCCOIWSQIIJZDW-UHFFFAOYSA-N 0 3 205.305 2.147 10 0 BEAEHN N[C@H](COC(F)(F)F)c1ccccc1F ZINC000068576539 383999257 /nfs/dbraw/zinc/99/92/57/383999257.db2.gz YQQFVVLWMGMLDD-MRVPVSSYSA-N 0 3 223.169 2.362 10 0 BEAEHN c1ccc2c(c1)CC[C@H](NCc1cncnc1)C2 ZINC000054768221 383975678 /nfs/dbraw/zinc/97/56/78/383975678.db2.gz DTQJTPYETABJCT-HNNXBMFYSA-N 0 3 239.322 2.124 10 0 BEAEHN Cn1ncc(Cl)c1CNCC1(C)CCC1 ZINC000132018132 384039402 /nfs/dbraw/zinc/03/94/02/384039402.db2.gz IKDMURFZAGBWAE-UHFFFAOYSA-N 0 3 227.739 2.353 10 0 BEAEHN CN[C@H]1COc2c1cc(Br)cc2F ZINC000035653901 384088881 /nfs/dbraw/zinc/08/88/81/384088881.db2.gz JXZWJGLZYIVOOM-QMMMGPOBSA-N 0 3 246.079 2.241 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1ccc(-c2cc[nH]n2)o1 ZINC000278661161 384071879 /nfs/dbraw/zinc/07/18/79/384071879.db2.gz NHUXRFAOUUZMTI-LDYMZIIASA-N 0 3 217.272 2.168 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc([C@H](C)O)s1 ZINC000290404968 384105926 /nfs/dbraw/zinc/10/59/26/384105926.db2.gz PRBVRDURQWBZDJ-NGZCFLSTSA-N 0 3 240.372 2.475 10 0 BEAEHN Nc1ccncc1-c1ccc(Cl)nc1 ZINC000091368477 384124077 /nfs/dbraw/zinc/12/40/77/384124077.db2.gz JCXARWNGQVTMJG-UHFFFAOYSA-N 0 3 205.648 2.379 10 0 BEAEHN CC[C@H](COC)N[C@@H]1COc2ccccc21 ZINC000070624488 384124238 /nfs/dbraw/zinc/12/42/38/384124238.db2.gz XDMUTOJXWQWLJR-ZYHUDNBSSA-N 0 3 221.300 2.135 10 0 BEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000282284927 384212188 /nfs/dbraw/zinc/21/21/88/384212188.db2.gz LHEHZHRJYLFHIC-NGZCFLSTSA-N 0 3 238.356 2.066 10 0 BEAEHN CN(Cc1ccc(Cl)cc1)C(=O)C(C)(C)N ZINC000042372736 384214183 /nfs/dbraw/zinc/21/41/83/384214183.db2.gz RJHONEMIJQJCOP-UHFFFAOYSA-N 0 3 240.734 2.036 10 0 BEAEHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](C)C2)n1 ZINC000132751918 384250081 /nfs/dbraw/zinc/25/00/81/384250081.db2.gz MAAAYZDEEFLEDW-AOOOYVTPSA-N 0 3 220.316 2.183 10 0 BEAEHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)n1 ZINC000132751918 384250084 /nfs/dbraw/zinc/25/00/84/384250084.db2.gz MAAAYZDEEFLEDW-AOOOYVTPSA-N 0 3 220.316 2.183 10 0 BEAEHN CC[C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1 ZINC000095752082 384393252 /nfs/dbraw/zinc/39/32/52/384393252.db2.gz HKBHWTZBSJEWCD-WDEREUQCSA-N 0 3 242.363 2.241 10 0 BEAEHN C[C@H]1OCC[C@H]1NC/C=C/c1ccccc1 ZINC000121146312 384401849 /nfs/dbraw/zinc/40/18/49/384401849.db2.gz APPSUDURCUISPS-VMIDCOPPSA-N 0 3 217.312 2.467 10 0 BEAEHN N[C@@H](CCO)c1cccc(Cl)c1Cl ZINC000044197967 384448614 /nfs/dbraw/zinc/44/86/14/384448614.db2.gz NECIZMMSSYEYPS-QMMMGPOBSA-N 0 3 220.099 2.376 10 0 BEAEHN c1ccc2c(c1)OCC[C@@H]2NCC1=CCCOC1 ZINC000175665145 384477304 /nfs/dbraw/zinc/47/73/04/384477304.db2.gz AYCZCLIYPUPYFE-AWEZNQCLSA-N 0 3 245.322 2.447 10 0 BEAEHN CC[C@H](NCc1ncccn1)C(C)(C)C ZINC000309206056 384483538 /nfs/dbraw/zinc/48/35/38/384483538.db2.gz SAYYAPSRRHPSOZ-JTQLQIEISA-N 0 3 207.321 2.391 10 0 BEAEHN C[C@H](N)c1cnc([C@@H]2CCSC2)s1 ZINC000258279418 384552160 /nfs/dbraw/zinc/55/21/60/384552160.db2.gz YKBMSSGTCQSPEW-NKWVEPMBSA-N 0 3 214.359 2.383 10 0 BEAEHN Cn1ccnc1CNCCC1=CCCCC1 ZINC000049854482 384576791 /nfs/dbraw/zinc/57/67/91/384576791.db2.gz JEXUJTRFIVNQNU-UHFFFAOYSA-N 0 3 219.332 2.400 10 0 BEAEHN C[C@@H](CCN[C@H]1CCCNC1=O)c1ccccc1 ZINC000050395561 384622839 /nfs/dbraw/zinc/62/28/39/384622839.db2.gz SHCLVFNRVFDPDF-JSGCOSHPSA-N 0 3 246.354 2.048 10 0 BEAEHN COc1c(CN[C@@H]2CC[C@H]3C[C@H]3C2)c(C)nn1C ZINC000403409094 384650484 /nfs/dbraw/zinc/65/04/84/384650484.db2.gz VNZXRRJZTNLETD-SDDRHHMPSA-N 0 3 249.358 2.015 10 0 BEAEHN COc1c(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)nn1C ZINC000403409086 384650625 /nfs/dbraw/zinc/65/06/25/384650625.db2.gz VNZXRRJZTNLETD-IJLUTSLNSA-N 0 3 249.358 2.015 10 0 BEAEHN CCc1ccc([C@H](N)C2CCOCC2)o1 ZINC000061672292 384652374 /nfs/dbraw/zinc/65/23/74/384652374.db2.gz SPOCIDCEFGEMJV-GFCCVEGCSA-N 0 3 209.289 2.268 10 0 BEAEHN N[C@H](Cc1ncc[nH]1)c1ccc(Cl)s1 ZINC000051171436 384659388 /nfs/dbraw/zinc/65/93/88/384659388.db2.gz FVCSIQJROJBHTB-ZCFIWIBFSA-N 0 3 227.720 2.367 10 0 BEAEHN CN[C@H]1c2cccc(Br)c2O[C@H]1C ZINC000043634688 384723060 /nfs/dbraw/zinc/72/30/60/384723060.db2.gz TVLOVFRBPVEHKO-IMTBSYHQSA-N 0 3 242.116 2.491 10 0 BEAEHN NCc1cncc(-c2ccc(F)cc2)c1 ZINC000082639054 384698682 /nfs/dbraw/zinc/69/86/82/384698682.db2.gz XIINCIMTFZJTCR-UHFFFAOYSA-N 0 3 202.232 2.346 10 0 BEAEHN CN(C)Cc1cccc(NCc2nccn2C)c1 ZINC000051922045 384704814 /nfs/dbraw/zinc/70/48/14/384704814.db2.gz YHECHNGZTFZSGD-UHFFFAOYSA-N 0 3 244.342 2.094 10 0 BEAEHN OC1CC(CNCc2cc3ccccc3o2)C1 ZINC000091538255 384707066 /nfs/dbraw/zinc/70/70/66/384707066.db2.gz PBMVTFOERHXQJZ-UHFFFAOYSA-N 0 3 231.295 2.293 10 0 BEAEHN COCc1nc(CN)c(-c2ccccc2)s1 ZINC000082817889 384719190 /nfs/dbraw/zinc/71/91/90/384719190.db2.gz APBTZXGPIAYMJX-UHFFFAOYSA-N 0 3 234.324 2.415 10 0 BEAEHN CN[C@@H]1c2cc(Br)ccc2O[C@@H]1C ZINC000043635072 384721009 /nfs/dbraw/zinc/72/10/09/384721009.db2.gz UMQWKRFDGMCMJB-LDWIPMOCSA-N 0 3 242.116 2.491 10 0 BEAEHN C[C@@H]1Sc2c(cc(F)cc2F)[C@H]1N ZINC000043636133 384728932 /nfs/dbraw/zinc/72/89/32/384728932.db2.gz QIJCZAJCUQGCOK-NVNXEXLPSA-N 0 3 201.241 2.459 10 0 BEAEHN CN[C@@H]1c2cccc(OC)c2S[C@H]1C ZINC000043636209 384729183 /nfs/dbraw/zinc/72/91/83/384729183.db2.gz OLVPTFCBAMJZRN-XVKPBYJWSA-N 0 3 209.314 2.450 10 0 BEAEHN Cc1nc(CC(F)(F)F)sc1CN ZINC000052330026 384730968 /nfs/dbraw/zinc/73/09/68/384730968.db2.gz UNSPJAWMBVWECI-UHFFFAOYSA-N 0 3 210.224 2.015 10 0 BEAEHN C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccco1 ZINC000082991259 384734526 /nfs/dbraw/zinc/73/45/26/384734526.db2.gz PRZYKHIHTPSNCI-SRVKXCTJSA-N 0 3 223.316 2.481 10 0 BEAEHN CCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052554666 384736094 /nfs/dbraw/zinc/73/60/94/384736094.db2.gz MZWCNYRIRPJMNG-ZDUSSCGKSA-N 0 3 234.343 2.206 10 0 BEAEHN CSc1ccc(-c2cnc(N)n2C)cc1 ZINC000022130285 384736479 /nfs/dbraw/zinc/73/64/79/384736479.db2.gz KLWFLHJCJRZTBX-UHFFFAOYSA-N 0 3 219.313 2.391 10 0 BEAEHN N[C@@H](CO)c1cc(C(F)(F)F)ccc1Cl ZINC000072198895 384816243 /nfs/dbraw/zinc/81/62/43/384816243.db2.gz YBEJKAIHGFKIIV-QMMMGPOBSA-N 0 3 239.624 2.351 10 0 BEAEHN CCN(C)Cc1ccccc1OCCOC ZINC000126306139 384787006 /nfs/dbraw/zinc/78/70/06/384787006.db2.gz BCIGCBDIZKZLJX-UHFFFAOYSA-N 0 3 223.316 2.164 10 0 BEAEHN CSC[C@H](N)c1ccc(F)c(F)c1F ZINC000061838754 384790966 /nfs/dbraw/zinc/79/09/66/384790966.db2.gz OVNFQYFOAPRWOT-ZETCQYMHSA-N 0 3 221.247 2.467 10 0 BEAEHN C[C@@H](O)CCN[C@@H](C)c1ccc(Cl)nc1 ZINC000126853225 384815075 /nfs/dbraw/zinc/81/50/75/384815075.db2.gz ZLUOFANBVYAOHK-BDAKNGLRSA-N 0 3 228.723 2.157 10 0 BEAEHN NC[C@@H](F)Cc1sccc1Br ZINC000156363849 384854873 /nfs/dbraw/zinc/85/48/73/384854873.db2.gz DRIVSTDLSVMZHH-YFKPBYRVSA-N 0 3 238.125 2.350 10 0 BEAEHN CCSCC[C@@H](C)NCc1nccn1C ZINC000127486240 384867428 /nfs/dbraw/zinc/86/74/28/384867428.db2.gz TYZPIHWOYDIQLM-SNVBAGLBSA-N 0 3 227.377 2.041 10 0 BEAEHN Cc1nnsc1CN[C@@H]1CCC[C@H]1CCF ZINC000309895567 384895744 /nfs/dbraw/zinc/89/57/44/384895744.db2.gz FUEYCPUAXDRDGP-VHSXEESVSA-N 0 3 243.351 2.464 10 0 BEAEHN Clc1ccc([C@H]2CN(C3CC3)CCN2)cc1 ZINC000056894765 384922258 /nfs/dbraw/zinc/92/22/58/384922258.db2.gz QQIAGCJMLMLXHR-CYBMUJFWSA-N 0 3 236.746 2.449 10 0 BEAEHN Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000085279368 384934796 /nfs/dbraw/zinc/93/47/96/384934796.db2.gz JKICBHBVAFWGNI-UHFFFAOYSA-N 0 3 217.316 2.460 10 0 BEAEHN Cc1cc(CNC[C@@H]2CCCC[C@@H]2O)sn1 ZINC000404416641 384981063 /nfs/dbraw/zinc/98/10/63/384981063.db2.gz DZXKINPWLHCJIG-JQWIXIFHSA-N 0 3 240.372 2.092 10 0 BEAEHN CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000062706488 384995014 /nfs/dbraw/zinc/99/50/14/384995014.db2.gz DJYBVXIZWSJAIN-ZETCQYMHSA-N 0 3 201.191 2.311 10 0 BEAEHN Cc1cc(CNCC[C@@H]2CCCO2)sn1 ZINC000404455943 384999643 /nfs/dbraw/zinc/99/96/43/384999643.db2.gz JPJOQFGCEWFBAF-JTQLQIEISA-N 0 3 226.345 2.110 10 0 BEAEHN NC[C@H](F)Cc1sccc1Br ZINC000156363966 385035955 /nfs/dbraw/zinc/03/59/55/385035955.db2.gz DRIVSTDLSVMZHH-RXMQYKEDSA-N 0 3 238.125 2.350 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cnccn1 ZINC000090175866 385215336 /nfs/dbraw/zinc/21/53/36/385215336.db2.gz LQJWFZFHHIIHQK-HBNTYKKESA-N 0 3 205.305 2.316 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1nccn1-c1ccccc1 ZINC000190952126 385271875 /nfs/dbraw/zinc/27/18/75/385271875.db2.gz JGUKRVQZKVZLJO-DGCLKSJQSA-N 0 3 227.311 2.370 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1cncs1 ZINC000153753890 385277970 /nfs/dbraw/zinc/27/79/70/385277970.db2.gz SXAVDJHHKJCBGH-HBNTYKKESA-N 0 3 240.372 2.345 10 0 BEAEHN CC(C)n1nc(-c2ccco2)c2c1CCNC2 ZINC000167541229 385323429 /nfs/dbraw/zinc/32/34/29/385323429.db2.gz ARPNOZDXWSRAJK-UHFFFAOYSA-N 0 3 231.299 2.370 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1ccco1 ZINC000167997609 385344871 /nfs/dbraw/zinc/34/48/71/385344871.db2.gz DWJBXTWYWORZSJ-TUAOUCFPSA-N 0 3 223.316 2.481 10 0 BEAEHN Cc1cnn(CCN[C@@H]2CCCc3occc32)c1 ZINC000192969168 385378923 /nfs/dbraw/zinc/37/89/23/385378923.db2.gz DXUJOYJYUWWOBA-CYBMUJFWSA-N 0 3 245.326 2.452 10 0 BEAEHN Cc1cc(C)cc(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170863371 385451046 /nfs/dbraw/zinc/45/10/46/385451046.db2.gz QWIKNIKSVPEEAK-AWEZNQCLSA-N 0 3 246.354 2.080 10 0 BEAEHN Cc1ccc(C)c(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170863368 385451137 /nfs/dbraw/zinc/45/11/37/385451137.db2.gz QVMALDOLYJHXHA-CYBMUJFWSA-N 0 3 246.354 2.080 10 0 BEAEHN CCc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170863464 385451188 /nfs/dbraw/zinc/45/11/88/385451188.db2.gz MYUXNPQQRMHROI-AWEZNQCLSA-N 0 3 246.354 2.025 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnc(C)nc1 ZINC000309186505 385459056 /nfs/dbraw/zinc/45/90/56/385459056.db2.gz OYEPDPUPELZYEN-RYUDHWBXSA-N 0 3 205.305 2.063 10 0 BEAEHN CN[C@H](C)c1coc(Br)c1 ZINC000257824161 385500306 /nfs/dbraw/zinc/50/03/06/385500306.db2.gz FEFQKDOORRRLHD-RXMQYKEDSA-N 0 3 204.067 2.323 10 0 BEAEHN C[C@H](NCc1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000183091180 385508601 /nfs/dbraw/zinc/50/86/01/385508601.db2.gz LDKYWNIUPGJVSI-GXSJLCMTSA-N 0 3 240.734 2.392 10 0 BEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606402 385532437 /nfs/dbraw/zinc/53/24/37/385532437.db2.gz MSOAHCLTHBKMPR-ONGXEEELSA-N 0 3 248.355 2.005 10 0 BEAEHN COC(=O)[C@H]1CCCCCC[C@H]1NCCF ZINC000309414998 385574861 /nfs/dbraw/zinc/57/48/61/385574861.db2.gz CLPBUAYLJOBTBS-WDEREUQCSA-N 0 3 231.311 2.058 10 0 BEAEHN CC(C)N1CCC[C@H](c2cccnn2)C1 ZINC000259601000 385587614 /nfs/dbraw/zinc/58/76/14/385587614.db2.gz ZRRWPKOMVWHZNX-NSHDSACASA-N 0 3 205.305 2.064 10 0 BEAEHN NCc1c[nH]c(-c2cccc(Cl)c2)n1 ZINC000062820808 385635054 /nfs/dbraw/zinc/63/50/54/385635054.db2.gz RBVNGRXRBXSHHY-UHFFFAOYSA-N 0 3 207.664 2.189 10 0 BEAEHN N[C@@H](c1coc(Br)c1)C1=COCC1 ZINC000306946160 385662120 /nfs/dbraw/zinc/66/21/20/385662120.db2.gz LBXCHBYGSXYQRA-SECBINFHSA-N 0 3 244.088 2.346 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cc(C(=O)OC)co1 ZINC000230684623 385750007 /nfs/dbraw/zinc/75/00/07/385750007.db2.gz KZWHALFPVTZEGM-BXKDBHETSA-N 0 3 237.299 2.344 10 0 BEAEHN C[C@H](N(C)C[C@H](O)C(F)(F)F)C1(C)CC1 ZINC000121459235 385842837 /nfs/dbraw/zinc/84/28/37/385842837.db2.gz XCSDCNPODMDXFW-YUMQZZPRSA-N 0 3 225.254 2.030 10 0 BEAEHN Cc1cnc(CN[C@H](CC(C)C)CN(C)C)o1 ZINC000638547637 385856210 /nfs/dbraw/zinc/85/62/10/385856210.db2.gz HRZNJRHPQGKYSN-GFCCVEGCSA-N 0 3 239.363 2.049 10 0 BEAEHN Cc1ccc2nc(CN[C@H]3C[C@@H]3C)cn2c1 ZINC000283826610 385794185 /nfs/dbraw/zinc/79/41/85/385794185.db2.gz GHXUBKUGLPAEKE-JQWIXIFHSA-N 0 3 215.300 2.141 10 0 BEAEHN Cc1ccc2nc(CN[C@@H]3C[C@@H]3C)cn2c1 ZINC000283826606 385795448 /nfs/dbraw/zinc/79/54/48/385795448.db2.gz GHXUBKUGLPAEKE-CMPLNLGQSA-N 0 3 215.300 2.141 10 0 BEAEHN COC[C@H](CN[C@@H](C)c1cc(C)oc1C)OC ZINC000219297656 385928644 /nfs/dbraw/zinc/92/86/44/385928644.db2.gz VCMHNHSAABGLOY-JQWIXIFHSA-N 0 3 241.331 2.208 10 0 BEAEHN CCC[C@@H]1CCC[C@@H]1NCc1nccn1C ZINC000336738557 386107240 /nfs/dbraw/zinc/10/72/40/386107240.db2.gz OIZBZTITDNFVPZ-NEPJUHHUSA-N 0 3 221.348 2.479 10 0 BEAEHN Cc1ncsc1[C@]1(N)CS[C@@H](C)C1 ZINC000575569100 386114407 /nfs/dbraw/zinc/11/44/07/386114407.db2.gz BVZFLUVBSDGLIF-IMTBSYHQSA-N 0 3 214.359 2.131 10 0 BEAEHN CC[C@@H](NCc1cc(C)n(C)n1)C(C)C ZINC000414312165 386115453 /nfs/dbraw/zinc/11/54/53/386115453.db2.gz WGJCAJMRWKAPLB-GFCCVEGCSA-N 0 3 209.337 2.253 10 0 BEAEHN Cc1ncsc1[C@@]1(N)CCS[C@H]1C ZINC000575565587 386071805 /nfs/dbraw/zinc/07/18/05/386071805.db2.gz ALCZUXLIMQFQGN-IONNQARKSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@H]1SCCC[C@@]1(N)c1cnsc1 ZINC000575567101 386085545 /nfs/dbraw/zinc/08/55/45/386085545.db2.gz XAZATJOPKUHJTA-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@H]1SCCC[C@@]1(N)c1ccsn1 ZINC000575571189 386145148 /nfs/dbraw/zinc/14/51/48/386145148.db2.gz IFRAPEHSRQLUPI-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CN(C)C[C@@H]2C)o1 ZINC000336742544 386200247 /nfs/dbraw/zinc/20/02/47/386200247.db2.gz OIXYXLXDKOOEFH-DLOVCJGASA-N 0 3 222.332 2.189 10 0 BEAEHN Cc1cc(Br)cc(F)c1CN ZINC000238460709 386482617 /nfs/dbraw/zinc/48/26/17/386482617.db2.gz WIIIKZGUDLDAIE-UHFFFAOYSA-N 0 3 218.069 2.355 10 0 BEAEHN CCN1CCCOC[C@@H]1c1ccccc1OC ZINC000616599893 386534081 /nfs/dbraw/zinc/53/40/81/386534081.db2.gz SDHADLPPWZQVRO-CYBMUJFWSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)N1CCO[C@H](c2ccc(CO)cc2)CC1 ZINC000616593187 386542136 /nfs/dbraw/zinc/54/21/36/386542136.db2.gz JSXALRRQAJAGQT-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN C[C@@]1(C(=O)N2CCCCCCC2)CCCCN1 ZINC000136135477 386568239 /nfs/dbraw/zinc/56/82/39/386568239.db2.gz KBBXDTILYOJGDR-AWEZNQCLSA-N 0 3 238.375 2.311 10 0 BEAEHN Cc1nc([C@H](N)[C@H]2CCSC2)cs1 ZINC000307496335 386688685 /nfs/dbraw/zinc/68/86/85/386688685.db2.gz RPEGVSIKKLCNOO-IONNQARKSA-N 0 3 214.359 2.204 10 0 BEAEHN CCC[C@H](N)C(=O)NC(CC)(C1CC1)C1CC1 ZINC000638507794 386730188 /nfs/dbraw/zinc/73/01/88/386730188.db2.gz AVTPZGRKAZZSQX-LBPRGKRZSA-N 0 3 238.375 2.199 10 0 BEAEHN Cc1cnc([C@@H](C)N[C@@H](C)C(C)C)cn1 ZINC000336760992 386747331 /nfs/dbraw/zinc/74/73/31/386747331.db2.gz MRRLPVUPSCWTJJ-WDEREUQCSA-N 0 3 207.321 2.480 10 0 BEAEHN CSC1([C@@H]2N[C@@H](C)CCS2)CC1 ZINC000307596084 386748295 /nfs/dbraw/zinc/74/82/95/386748295.db2.gz LZJHJVZPLVTSOR-JGVFFNPUSA-N 0 3 203.376 2.323 10 0 BEAEHN CSC1([C@H]2N[C@H](C)CCS2)CC1 ZINC000307596085 386749080 /nfs/dbraw/zinc/74/90/80/386749080.db2.gz LZJHJVZPLVTSOR-SFYZADRCSA-N 0 3 203.376 2.323 10 0 BEAEHN CO[C@H](N)Cc1ccc(Br)cc1F ZINC000575448856 386759579 /nfs/dbraw/zinc/75/95/79/386759579.db2.gz NOSOXHCFJSKCFA-VIFPVBQESA-N 0 3 248.095 2.062 10 0 BEAEHN Cc1nc2cc(Br)cc(N)c2[nH]1 ZINC000084499472 386944621 /nfs/dbraw/zinc/94/46/21/386944621.db2.gz SAYQPFYJLKZLHP-UHFFFAOYSA-N 0 3 226.077 2.216 10 0 BEAEHN N[C@@H](c1cncs1)[C@@H]1CCCCS1 ZINC000575463413 387043163 /nfs/dbraw/zinc/04/31/63/387043163.db2.gz ZYQAZJQTIVOYHB-IONNQARKSA-N 0 3 214.359 2.429 10 0 BEAEHN Cc1ncc(C2(N)CCSCC2)s1 ZINC000575579042 387046369 /nfs/dbraw/zinc/04/63/69/387046369.db2.gz VWRXIVFEWSBTOE-UHFFFAOYSA-N 0 3 214.359 2.133 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1ccc(C(=O)OC)[nH]1 ZINC000227836416 387058696 /nfs/dbraw/zinc/05/86/96/387058696.db2.gz YPVLVAUJDPRDRC-BXKDBHETSA-N 0 3 236.315 2.080 10 0 BEAEHN C[C@H](CCC1CC1)N[C@@H]1CCCn2ncnc21 ZINC000186377387 387099762 /nfs/dbraw/zinc/09/97/62/387099762.db2.gz DYWUREGEHBOSSL-ZYHUDNBSSA-N 0 3 234.347 2.281 10 0 BEAEHN COc1cccc(OC)c1[C@H](N)CC(F)F ZINC000575437210 387106842 /nfs/dbraw/zinc/10/68/42/387106842.db2.gz AQIAKWHMZKUKOR-SSDOTTSWSA-N 0 3 231.242 2.359 10 0 BEAEHN COc1ccc(F)cc1[C@@H](N)CC(F)F ZINC000575437692 387108886 /nfs/dbraw/zinc/10/88/86/387108886.db2.gz OYHRJXMVWXCXGI-QMMMGPOBSA-N 0 3 219.206 2.489 10 0 BEAEHN COc1cc(C)cc(OC)c1[C@H](N)CCF ZINC000575439311 387123067 /nfs/dbraw/zinc/12/30/67/387123067.db2.gz RGPNZQWAWLHLEK-SECBINFHSA-N 0 3 227.279 2.372 10 0 BEAEHN C[C@@H]1CCCCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000335029686 387124759 /nfs/dbraw/zinc/12/47/59/387124759.db2.gz PKGHIDSDSPDIOI-TZMCWYRMSA-N 0 3 238.375 2.167 10 0 BEAEHN C[C@@H]1CCCCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000335029685 387125033 /nfs/dbraw/zinc/12/50/33/387125033.db2.gz PKGHIDSDSPDIOI-OCCSQVGLSA-N 0 3 238.375 2.167 10 0 BEAEHN c1ccc([C@@]23CCN(C4CC4)C[C@@H]2O3)cc1 ZINC000536957574 387171297 /nfs/dbraw/zinc/17/12/97/387171297.db2.gz BXENOLFXUWXSMX-KBPBESRZSA-N 0 3 215.296 2.149 10 0 BEAEHN Cc1cc(N2CCN(CC3CCCC3)CC2)n[nH]1 ZINC000187204382 387179996 /nfs/dbraw/zinc/17/99/96/387179996.db2.gz JLGPBYFWUIHTTK-UHFFFAOYSA-N 0 3 248.374 2.030 10 0 BEAEHN Cn1cc(Br)c([C@@H](N)C(C)(C)C)n1 ZINC000575482087 387181995 /nfs/dbraw/zinc/18/19/95/387181995.db2.gz JGIXOJODYQAWIV-MRVPVSSYSA-N 0 3 246.152 2.229 10 0 BEAEHN Cc1ccc(CN[C@@H](C)[C@@H]2CCCO2)c(C)n1 ZINC000187495984 387200322 /nfs/dbraw/zinc/20/03/22/387200322.db2.gz NAIFCSMVIOXLCB-JSGCOSHPSA-N 0 3 234.343 2.356 10 0 BEAEHN Cc1ccc(CN[C@H](C)[C@H]2CCCO2)c(C)n1 ZINC000187496042 387200788 /nfs/dbraw/zinc/20/07/88/387200788.db2.gz NAIFCSMVIOXLCB-TZMCWYRMSA-N 0 3 234.343 2.356 10 0 BEAEHN COC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]32)cc1 ZINC000353896107 387291848 /nfs/dbraw/zinc/29/18/48/387291848.db2.gz DWODXIZWHYBWHC-KBPBESRZSA-N 0 3 245.322 2.458 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cncc(Br)c1 ZINC000160574238 387306249 /nfs/dbraw/zinc/30/62/49/387306249.db2.gz QPOJDJFRQPEENE-OIBJUYFYSA-N 0 3 241.132 2.342 10 0 BEAEHN C[C@@H](N[C@@H](C)c1nnc2ccccn21)[C@H]1C[C@@H]1C ZINC000321875607 387309424 /nfs/dbraw/zinc/30/94/24/387309424.db2.gz IFNOXDMKDIZDQD-USZNOCQGSA-N 0 3 244.342 2.424 10 0 BEAEHN NCc1ncoc1-c1occc1Br ZINC000575506354 387373335 /nfs/dbraw/zinc/37/33/35/387373335.db2.gz GFQOBBVWIUYINX-UHFFFAOYSA-N 0 3 243.060 2.156 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1c(C)cnn1C ZINC000286587167 387331542 /nfs/dbraw/zinc/33/15/42/387331542.db2.gz QMORHTPBLQRCHZ-QWRGUYRKSA-N 0 3 207.321 2.007 10 0 BEAEHN C[C@H]1N(Cc2ccccc2)CC[C@]12CC(=O)CO2 ZINC000575499343 387337505 /nfs/dbraw/zinc/33/75/05/387337505.db2.gz FNSOKCDQOJPIFH-DOMZBBRYSA-N 0 3 245.322 2.009 10 0 BEAEHN C[C@]1(c2ccc(Br)cn2)CCN1 ZINC000575499755 387344376 /nfs/dbraw/zinc/34/43/76/387344376.db2.gz OOLVFZOSZNRFAX-SECBINFHSA-N 0 3 227.105 2.053 10 0 BEAEHN CC[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000037804963 387438545 /nfs/dbraw/zinc/43/85/45/387438545.db2.gz MXZWVFYJMPJSHC-LLVKDONJSA-N 0 3 240.734 2.036 10 0 BEAEHN CNCc1ccc(Br)c(F)c1F ZINC000575520134 387444653 /nfs/dbraw/zinc/44/46/53/387444653.db2.gz GCZLZPNSJNQZIF-UHFFFAOYSA-N 0 3 236.059 2.447 10 0 BEAEHN CCOc1cc(F)c(CN)c(OCC)c1 ZINC000575721687 387445250 /nfs/dbraw/zinc/44/52/50/387445250.db2.gz RBVYEEHTZOVQOW-UHFFFAOYSA-N 0 3 213.252 2.082 10 0 BEAEHN CCOC[C@H](C)N[C@@H]1COc2ccccc21 ZINC000122371003 387515389 /nfs/dbraw/zinc/51/53/89/387515389.db2.gz RQUHBKWTKCADBJ-CMPLNLGQSA-N 0 3 221.300 2.135 10 0 BEAEHN CCCCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000123621132 387588525 /nfs/dbraw/zinc/58/85/25/387588525.db2.gz CTYAPNOFBWFUBH-GFCCVEGCSA-N 0 3 243.395 2.062 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cc(C(N)=O)cs1 ZINC000124535514 387621970 /nfs/dbraw/zinc/62/19/70/387621970.db2.gz KMHYOVZPJHRSBB-KCJUWKMLSA-N 0 3 238.356 2.125 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1ccccc1OC ZINC000119409199 387555415 /nfs/dbraw/zinc/55/54/15/387555415.db2.gz SUEPVVVIJDOPOD-AWEZNQCLSA-N 0 3 237.343 2.288 10 0 BEAEHN C[C@@H]1CN[C@]2(CC[C@@H](C)SC2)S1 ZINC000575533703 387556099 /nfs/dbraw/zinc/55/60/99/387556099.db2.gz DYYLPPORJHSOEM-IWSPIJDZSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@H](N[C@@H](C)C1CC1)c1nnc2n1CCCCC2 ZINC000037140743 387560458 /nfs/dbraw/zinc/56/04/58/387560458.db2.gz NTNKWPWOJOATRH-QWRGUYRKSA-N 0 3 248.374 2.454 10 0 BEAEHN Cc1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)cn1 ZINC000120685170 387573075 /nfs/dbraw/zinc/57/30/75/387573075.db2.gz JYFPNDYUGPUDDV-AAEUAGOBSA-N 0 3 231.343 2.427 10 0 BEAEHN NC1(c2ccc(Cl)s2)CSC1 ZINC000575549093 387647182 /nfs/dbraw/zinc/64/71/82/387647182.db2.gz HNYSBTKCNJREPD-UHFFFAOYSA-N 0 3 205.735 2.302 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](C)C2)n1 ZINC000128455571 387747034 /nfs/dbraw/zinc/74/70/34/387747034.db2.gz CDDDYVIVJAZTLN-ONGXEEELSA-N 0 3 220.316 2.374 10 0 BEAEHN C[C@@H]1CC[C@](N)(c2cncs2)CS1 ZINC000575571853 387747200 /nfs/dbraw/zinc/74/72/00/387747200.db2.gz PJDQOHYYRHKXJM-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1OCC[C@]1(N)c1ccsc1Cl ZINC000575559571 387702464 /nfs/dbraw/zinc/70/24/64/387702464.db2.gz IMYCYVDQVMPZJB-IMTBSYHQSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@@H]1COC[C@@]1(N)c1ccsc1Cl ZINC000575573300 387755419 /nfs/dbraw/zinc/75/54/19/387755419.db2.gz WSVOSOPBGOYRHM-MUWHJKNJSA-N 0 3 217.721 2.222 10 0 BEAEHN Cc1ncc([C@]2(N)CS[C@@H](C)C2)s1 ZINC000575573105 387755431 /nfs/dbraw/zinc/75/54/31/387755431.db2.gz SRQJFTXUKPYILB-IMTBSYHQSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@@H](CF)Nc1cc(N)ncc1Br ZINC000575568732 387730311 /nfs/dbraw/zinc/73/03/11/387730311.db2.gz AMACDHXDOOKYIH-YFKPBYRVSA-N 0 3 248.099 2.027 10 0 BEAEHN C[C@@H]1SCCC[C@]1(N)c1cscn1 ZINC000575566333 387734383 /nfs/dbraw/zinc/73/43/83/387734383.db2.gz ULXJXOJWLOJOLA-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@H](CCN[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395560 387793305 /nfs/dbraw/zinc/79/33/05/387793305.db2.gz SHCLVFNRVFDPDF-TZMCWYRMSA-N 0 3 246.354 2.048 10 0 BEAEHN NC[C@H](F)c1ccc(OC(F)F)cc1 ZINC000575623197 387806100 /nfs/dbraw/zinc/80/61/00/387806100.db2.gz TYEBXWQOVLGCCU-QMMMGPOBSA-N 0 3 205.179 2.257 10 0 BEAEHN NC[C@@H](F)c1ccccc1OC(F)F ZINC000575623202 387806702 /nfs/dbraw/zinc/80/67/02/387806702.db2.gz VNQSDZKIZQLAMU-SSDOTTSWSA-N 0 3 205.179 2.257 10 0 BEAEHN NC[C@H](F)c1ccccc1OC(F)F ZINC000575623203 387807056 /nfs/dbraw/zinc/80/70/56/387807056.db2.gz VNQSDZKIZQLAMU-ZETCQYMHSA-N 0 3 205.179 2.257 10 0 BEAEHN CC[C@H](N[C@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898278 387820326 /nfs/dbraw/zinc/82/03/26/387820326.db2.gz VGTBPKKMYZCGST-YPMHNXCESA-N 0 3 234.343 2.218 10 0 BEAEHN CCn1c(C)nnc1CN[C@H]1CC2CCC1CC2 ZINC000432990398 387848162 /nfs/dbraw/zinc/84/81/62/387848162.db2.gz FGNSEABBJXRBCJ-BPCQOVAHSA-N 0 3 248.374 2.275 10 0 BEAEHN N[C@@H](Cc1ccsc1)c1ccccn1 ZINC000053817021 387915181 /nfs/dbraw/zinc/91/51/81/387915181.db2.gz KDFIXDMDMODVJL-JTQLQIEISA-N 0 3 204.298 2.386 10 0 BEAEHN N[C@H](Cc1ccsc1)c1ccccn1 ZINC000053817020 387915373 /nfs/dbraw/zinc/91/53/73/387915373.db2.gz KDFIXDMDMODVJL-SNVBAGLBSA-N 0 3 204.298 2.386 10 0 BEAEHN Cc1occc1CN[C@@H]1CCCC[C@@H]1CO ZINC000321014199 387930753 /nfs/dbraw/zinc/93/07/53/387930753.db2.gz UZJWFYOFFGUYBS-CHWSQXEVSA-N 0 3 223.316 2.229 10 0 BEAEHN Cc1occc1CNC[C@@H]1CCCC[C@@H]1O ZINC000321042140 387936568 /nfs/dbraw/zinc/93/65/68/387936568.db2.gz ZORWYCLLMUJFGW-STQMWFEESA-N 0 3 223.316 2.229 10 0 BEAEHN COCCN1CCC(c2nc(C)cs2)CC1 ZINC000195319096 387920547 /nfs/dbraw/zinc/92/05/47/387920547.db2.gz WWEOMLQILIAJLE-UHFFFAOYSA-N 0 3 240.372 2.277 10 0 BEAEHN CN[C@H]1CC[S@](=O)c2c(Cl)cccc21 ZINC000040974072 387977912 /nfs/dbraw/zinc/97/79/12/387977912.db2.gz DBJCJGYVONEIKQ-LKFCYVNXSA-N 0 3 229.732 2.112 10 0 BEAEHN C[C@@H]1CC(CN[C@H]2CCn3ccnc32)C[C@@H](C)O1 ZINC000453204963 388009714 /nfs/dbraw/zinc/00/97/14/388009714.db2.gz CEPCUUDCXKPSLD-WZRBSPASSA-N 0 3 249.358 2.121 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1ccc(CO)o1 ZINC000165036091 388250184 /nfs/dbraw/zinc/25/01/84/388250184.db2.gz NBGGFFGTABLERX-SKDRFNHKSA-N 0 3 209.289 2.050 10 0 BEAEHN CCCC(=O)N[C@@H]1CCCN([C@@H](C)CC)C1 ZINC000181119346 256587052 /nfs/dbraw/zinc/58/70/52/256587052.db2.gz JJMCZALUEREYPX-NWDGAFQWSA-N 0 3 226.364 2.166 10 0 BEAEHN CC[C@H](NCCn1cncn1)c1cccc(F)c1 ZINC000275895774 388345821 /nfs/dbraw/zinc/34/58/21/388345821.db2.gz RKLRODVIFSTSRG-ZDUSSCGKSA-N 0 3 248.305 2.158 10 0 BEAEHN c1nc2c([nH]1)[C@@H](c1c[nH]c3ccccc31)NCC2 ZINC000067473241 388406188 /nfs/dbraw/zinc/40/61/88/388406188.db2.gz UZNPQKRCDLLMCU-CYBMUJFWSA-N 0 3 238.294 2.126 10 0 BEAEHN C[C@@H]1[C@@H](O)CCCN1Cc1cccc(F)c1 ZINC000295011783 388406369 /nfs/dbraw/zinc/40/63/69/388406369.db2.gz MDFMFKSYUDHZBF-MFKMUULPSA-N 0 3 223.291 2.171 10 0 BEAEHN CC(C)C[C@H](C)Cn1cc(C(C)(C)N)nn1 ZINC000300974605 388396881 /nfs/dbraw/zinc/39/68/81/388396881.db2.gz SPVGDRSABDWKHF-JTQLQIEISA-N 0 3 224.352 2.154 10 0 BEAEHN CC(C)(C)CCCn1cc(C(C)(C)N)nn1 ZINC000300869431 388398566 /nfs/dbraw/zinc/39/85/66/388398566.db2.gz NBXKOGCCDGVUPL-UHFFFAOYSA-N 0 3 224.352 2.298 10 0 BEAEHN COCCn1c2ccccc2nc1[C@@H](N)C(C)C ZINC000040163881 388412420 /nfs/dbraw/zinc/41/24/20/388412420.db2.gz SDHOXYAMMNHNPP-ZDUSSCGKSA-N 0 3 247.342 2.339 10 0 BEAEHN COc1ncccc1CN[C@H](C)[C@H]1C[C@H]1C ZINC000322334495 388432079 /nfs/dbraw/zinc/43/20/79/388432079.db2.gz PPHOGBXIRGDWAV-FOGDFJRCSA-N 0 3 220.316 2.224 10 0 BEAEHN c1nnsc1CNC1C2CC3CC(C2)CC1C3 ZINC000328325146 388606653 /nfs/dbraw/zinc/60/66/53/388606653.db2.gz GADORJBAZXBDIN-UHFFFAOYSA-N 0 3 249.383 2.452 10 0 BEAEHN CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)N(C)C ZINC000245514133 388585647 /nfs/dbraw/zinc/58/56/47/388585647.db2.gz PEWYGBYEHUOAGR-JHJVBQTASA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@@H](O)C(C)(C)NCc1cnc(C2CC2)s1 ZINC000127136466 388715724 /nfs/dbraw/zinc/71/57/24/388715724.db2.gz VVRBXQDSJDEUEJ-MRVPVSSYSA-N 0 3 240.372 2.270 10 0 BEAEHN CCC[C@@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000249393370 388719425 /nfs/dbraw/zinc/71/94/25/388719425.db2.gz SDJRYDGGPMWAIU-KGLIPLIRSA-N 0 3 242.407 2.218 10 0 BEAEHN Cc1ncsc1[C@@H](N)[C@@H]1CCCS1 ZINC000575461857 388820372 /nfs/dbraw/zinc/82/03/72/388820372.db2.gz ZAPDIEPTBMFWJN-YUMQZZPRSA-N 0 3 214.359 2.347 10 0 BEAEHN CCC[C@@H](C(=O)NCC1(CC)CCC1)N(C)C ZINC000152789286 388881751 /nfs/dbraw/zinc/88/17/51/388881751.db2.gz IYOHHQAFSMSPRK-LBPRGKRZSA-N 0 3 240.391 2.413 10 0 BEAEHN NC[C@@H](O)c1cc(Cl)cc(Cl)c1F ZINC000575498070 388989645 /nfs/dbraw/zinc/98/96/45/388989645.db2.gz RCUOUBFAKCYOQV-SSDOTTSWSA-N 0 3 224.062 2.125 10 0 BEAEHN Cc1ccc(CN)c(N2CCCCC2)c1 ZINC000051578582 132361292 /nfs/dbraw/zinc/36/12/92/132361292.db2.gz QLYPLCHRCHPMCL-UHFFFAOYSA-N 0 3 204.317 2.444 10 0 BEAEHN Cc1cc([C@@H](C)NCC2CC(O)C2)c(C)o1 ZINC000084447613 322836060 /nfs/dbraw/zinc/83/60/60/322836060.db2.gz DIBQOQFMBVYZIJ-OIKLOGQESA-N 0 3 223.316 2.318 10 0 BEAEHN C[C@H]1CN(c2ccc3ccccc3n2)CCN1 ZINC000052783330 132229059 /nfs/dbraw/zinc/22/90/59/132229059.db2.gz IPKIEXIYANRZNF-NSHDSACASA-N 0 3 227.311 2.033 10 0 BEAEHN Cc1ccc2nc(N3CCNCC3)cc(C)c2c1 ZINC000040175198 132296121 /nfs/dbraw/zinc/29/61/21/132296121.db2.gz OKXPMVLIHWFVFW-UHFFFAOYSA-N 0 3 241.338 2.261 10 0 BEAEHN O=C1CCN(c2ccnc3ccccc32)CC1 ZINC000041720100 132297286 /nfs/dbraw/zinc/29/72/86/132297286.db2.gz LQUFWIREUMPYKS-UHFFFAOYSA-N 0 3 226.279 2.404 10 0 BEAEHN Cc1ccc2c(c1)CCCN2C(=O)[C@H](N)C(C)C ZINC000019472150 132325240 /nfs/dbraw/zinc/32/52/40/132325240.db2.gz VUXDCHOJDURKLQ-CQSZACIVSA-N 0 3 246.354 2.258 10 0 BEAEHN C[C@@H](N)c1cc(F)ccc1N1CCO[C@@H](C)C1 ZINC000019872131 132328562 /nfs/dbraw/zinc/32/85/62/132328562.db2.gz VLYUWILTSYZFCH-VHSXEESVSA-N 0 3 238.306 2.071 10 0 BEAEHN C[C@@H](N)c1cc(F)ccc1N1CCO[C@H](C)C1 ZINC000035438964 132338574 /nfs/dbraw/zinc/33/85/74/132338574.db2.gz VLYUWILTSYZFCH-NXEZZACHSA-N 0 3 238.306 2.071 10 0 BEAEHN NCc1cccnc1N1CCc2sccc2C1 ZINC000035719750 132339171 /nfs/dbraw/zinc/33/91/71/132339171.db2.gz VRFRIIWBYZLAEZ-UHFFFAOYSA-N 0 3 245.351 2.165 10 0 BEAEHN C[C@@H](N)c1c(F)cccc1N1CCOC[C@H]1C ZINC000035776794 132339399 /nfs/dbraw/zinc/33/93/99/132339399.db2.gz BZIGBVYMZDKONY-NXEZZACHSA-N 0 3 238.306 2.071 10 0 BEAEHN C[C@H]1CNCCN1c1cccc(Cl)c1F ZINC000038302445 132346002 /nfs/dbraw/zinc/34/60/02/132346002.db2.gz GFJABTPAYSWQOD-QMMMGPOBSA-N 0 3 228.698 2.277 10 0 BEAEHN CC1(C)CN(c2ccc(F)cc2F)CCN1 ZINC000041247051 132349762 /nfs/dbraw/zinc/34/97/62/132349762.db2.gz YQJUPVBCEOLZJN-UHFFFAOYSA-N 0 3 226.270 2.153 10 0 BEAEHN C[C@@H]1CCCN(c2ncccc2CN)[C@@H]1C ZINC000050562854 132359076 /nfs/dbraw/zinc/35/90/76/132359076.db2.gz AERQDUOJRDOIRT-GHMZBOCLSA-N 0 3 219.332 2.165 10 0 BEAEHN C[C@H]1C[C@H](C)CN(c2ccnc(CN)c2)C1 ZINC000051396429 132360002 /nfs/dbraw/zinc/36/00/02/132360002.db2.gz BWNPSHPLZLDTET-QWRGUYRKSA-N 0 3 219.332 2.023 10 0 BEAEHN C[C@@H]1CCCN(c2ccc(Cl)c(CN)n2)C1 ZINC000051396201 132360175 /nfs/dbraw/zinc/36/01/75/132360175.db2.gz ILIAPUZDTAHFCM-SECBINFHSA-N 0 3 239.750 2.430 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)C1CCC1 ZINC000178415593 134309987 /nfs/dbraw/zinc/30/99/87/134309987.db2.gz YGXTWEQKSKQTFM-PWSUYJOCSA-N 0 3 248.374 2.454 10 0 BEAEHN Cc1ccc(CN2CCCN(C3CC3)CC2)o1 ZINC000179729305 134320324 /nfs/dbraw/zinc/32/03/24/134320324.db2.gz AUCDPRFCDZBPIO-UHFFFAOYSA-N 0 3 234.343 2.258 10 0 BEAEHN CN1c2ccccc2[C@@H](NCC2(C)CC2)CC1=O ZINC000222189270 134329924 /nfs/dbraw/zinc/32/99/24/134329924.db2.gz UTXNKCIRGCJLDS-LBPRGKRZSA-N 0 3 244.338 2.484 10 0 BEAEHN CCC[C@@H](C(=O)N1CCCC[C@@H](C)C1)N(C)C ZINC000184441591 134361276 /nfs/dbraw/zinc/36/12/76/134361276.db2.gz NXFAQASBJSTXNZ-OLZOCXBDSA-N 0 3 240.391 2.365 10 0 BEAEHN OCC[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000227567612 134383525 /nfs/dbraw/zinc/38/35/25/134383525.db2.gz ISGCDDSHIHSREW-NFBGWVBBSA-N 0 3 231.339 2.404 10 0 BEAEHN CCOC(=O)CN(CC1CC1)C(C)(C)C ZINC000130733560 134622432 /nfs/dbraw/zinc/62/24/32/134622432.db2.gz UNKWHCYLGCMPHM-UHFFFAOYSA-N 0 3 213.321 2.060 10 0 BEAEHN CC[C@H](N[C@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070732960 135010944 /nfs/dbraw/zinc/01/09/44/135010944.db2.gz GHSLGGDONJBTPK-DCAQKATOSA-N 0 3 240.372 2.487 10 0 BEAEHN Cn1cc([C@H]2CCCN2C[C@H]2CCC=CO2)cn1 ZINC000248828471 135022209 /nfs/dbraw/zinc/02/22/09/135022209.db2.gz GWGWRBPOIDZVSV-ZIAGYGMSSA-N 0 3 247.342 2.250 10 0 BEAEHN C[C@@H]1CC[C@H](CN2CCO[C@H]3CCCC[C@H]32)O1 ZINC000248955723 135027000 /nfs/dbraw/zinc/02/70/00/135027000.db2.gz OLIOHSDDAJFBGD-SYQHCUMBSA-N 0 3 239.359 2.197 10 0 BEAEHN CCC(=O)CCN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000248960135 135028577 /nfs/dbraw/zinc/02/85/77/135028577.db2.gz BWXYLWPEXUFDFJ-OCCSQVGLSA-N 0 3 249.358 2.135 10 0 BEAEHN Cc1cc(CN2C[C@@H]3CCCCN3C[C@H]2C)no1 ZINC000252662149 135094413 /nfs/dbraw/zinc/09/44/13/135094413.db2.gz VGBBSHPNAMSFSW-RISCZKNCSA-N 0 3 249.358 2.042 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1cncs1 ZINC000252714781 135101753 /nfs/dbraw/zinc/10/17/53/135101753.db2.gz SXAVDJHHKJCBGH-DCAQKATOSA-N 0 3 240.372 2.345 10 0 BEAEHN CC[C@@H]1CCC[C@H]1NCc1nnc(C)n1CC ZINC000348171734 136042889 /nfs/dbraw/zinc/04/28/89/136042889.db2.gz VQOHJZVOJILSRT-VXGBXAGGSA-N 0 3 236.363 2.275 10 0 BEAEHN CC[C@@H]1CCC[C@@H]1NCc1nnc(C)n1CC ZINC000348171730 136042925 /nfs/dbraw/zinc/04/29/25/136042925.db2.gz VQOHJZVOJILSRT-NEPJUHHUSA-N 0 3 236.363 2.275 10 0 BEAEHN CCOc1ccc(CN2CCC[C@H](O)[C@H]2C)cc1 ZINC000295118446 397758475 /nfs/dbraw/zinc/75/84/75/397758475.db2.gz WZNLNGUIVHYVLL-DOMZBBRYSA-N 0 3 249.354 2.431 10 0 BEAEHN Cc1ncc([C@]2(N)CCCSC2)s1 ZINC000575463839 397946766 /nfs/dbraw/zinc/94/67/66/397946766.db2.gz BHLJJSKZMPMGPP-VIFPVBQESA-N 0 3 214.359 2.133 10 0 BEAEHN CCN1CCC[C@H](Nc2ccnc(C(C)C)n2)C1 ZINC000110261064 397903837 /nfs/dbraw/zinc/90/38/37/397903837.db2.gz ZHAACOMKQPQQGC-LBPRGKRZSA-N 0 3 248.374 2.496 10 0 BEAEHN CC(C)NC(=O)Nc1ccccc1[C@H](C)N ZINC000020209395 167079818 /nfs/dbraw/zinc/07/98/18/167079818.db2.gz KOEUGASEEUHOQI-VIFPVBQESA-N 0 3 221.304 2.236 10 0 BEAEHN CC(C)NCc1cnc(N2CC[C@@H](C)C2)s1 ZINC000054905913 167121690 /nfs/dbraw/zinc/12/16/90/167121690.db2.gz DDWRMAZDFJSMKQ-SNVBAGLBSA-N 0 3 239.388 2.487 10 0 BEAEHN CC(C)[NH2+]Cc1nnc(C2CCCCC2)[n-]1 ZINC000041058850 167121946 /nfs/dbraw/zinc/12/19/46/167121946.db2.gz WZQNJSCXZVHDHF-UHFFFAOYSA-N 0 3 222.336 2.350 10 0 BEAEHN CC(C)NCc1cnn(C2CCCC2)c1 ZINC000040538518 167121968 /nfs/dbraw/zinc/12/19/68/167121968.db2.gz DSODZKDQCJHJKO-UHFFFAOYSA-N 0 3 207.321 2.496 10 0 BEAEHN CC(C)N[C@@H]1COc2c1cc(F)cc2F ZINC000035653397 167135797 /nfs/dbraw/zinc/13/57/97/167135797.db2.gz FRTSJZPKPHRVFL-SNVBAGLBSA-N 0 3 213.227 2.396 10 0 BEAEHN CC(C)N[C@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720349 167140425 /nfs/dbraw/zinc/14/04/25/167140425.db2.gz FJZCSQKKPBSNRN-SNVBAGLBSA-N 0 3 233.233 2.135 10 0 BEAEHN CC(C)N[C@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974246 167142950 /nfs/dbraw/zinc/14/29/50/167142950.db2.gz AOEMKSUXDQNSDR-MEDUHNTESA-N 0 3 241.331 2.376 10 0 BEAEHN CC[C@@H](NCc1cncs1)[C@@H]1CCCO1 ZINC000119665170 487559947 /nfs/dbraw/zinc/55/99/47/487559947.db2.gz REQYKAASJGJMEG-MNOVXSKESA-N 0 3 226.345 2.190 10 0 BEAEHN Cc1cc(C)cc(CNCc2cn[nH]c2)c1 ZINC000043393691 487574075 /nfs/dbraw/zinc/57/40/75/487574075.db2.gz XLZPOIHYQNIHLL-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN COc1cc(C)ccc1[C@@H](C)NC1CC(CO)C1 ZINC000658350114 487590392 /nfs/dbraw/zinc/59/03/92/487590392.db2.gz BEAAHXRQHNWPNN-PNESKVBLSA-N 0 3 249.354 2.425 10 0 BEAEHN C[C@@]1(C(=O)NCCCC2CCC2)CCCCN1 ZINC000662664549 409823035 /nfs/dbraw/zinc/82/30/35/409823035.db2.gz CHFQSGALAFIKGB-AWEZNQCLSA-N 0 3 238.375 2.215 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCCCC1CCC1 ZINC000662665550 409825496 /nfs/dbraw/zinc/82/54/96/409825496.db2.gz JVOLZRNRMOQIAO-ZYHUDNBSSA-N 0 3 226.364 2.056 10 0 BEAEHN CC(C)CN[C@H](C)c1nnc2n1CCCCC2 ZINC000035229509 167014008 /nfs/dbraw/zinc/01/40/08/167014008.db2.gz YCOUYGRPGHTKAM-LLVKDONJSA-N 0 3 236.363 2.311 10 0 BEAEHN CC(C)NCC(=O)c1ccc2c(c1)OCCCO2 ZINC000049836933 167097677 /nfs/dbraw/zinc/09/76/77/167097677.db2.gz IMGXJDVSTZTVKD-UHFFFAOYSA-N 0 3 249.310 2.029 10 0 BEAEHN CC(C)NCc1ccc(N2CCCCCC2)nn1 ZINC000051400078 167118890 /nfs/dbraw/zinc/11/88/90/167118890.db2.gz WDCWDEGJMMXWCZ-UHFFFAOYSA-N 0 3 248.374 2.355 10 0 BEAEHN CC(C)NCc1ccnc(-c2cccnc2)n1 ZINC000054791642 167121778 /nfs/dbraw/zinc/12/17/78/167121778.db2.gz AGUVGOIIYVYREG-UHFFFAOYSA-N 0 3 228.299 2.037 10 0 BEAEHN CC(C)N[C@@](C)(CO)c1cc(F)ccc1F ZINC000038115529 167135873 /nfs/dbraw/zinc/13/58/73/167135873.db2.gz UDZJQTZQOAQYJZ-LBPRGKRZSA-N 0 3 229.270 2.170 10 0 BEAEHN CC(C)Oc1ccc([C@@H]2CNCCO2)cc1 ZINC000037405130 167298890 /nfs/dbraw/zinc/29/88/90/167298890.db2.gz MMKDZSXHHKYOKM-ZDUSSCGKSA-N 0 3 221.300 2.135 10 0 BEAEHN CC(C)Oc1ccccc1N1CCN[C@H](C)C1 ZINC000077369614 167311502 /nfs/dbraw/zinc/31/15/02/167311502.db2.gz SFSATUNRGIYGJZ-GFCCVEGCSA-N 0 3 234.343 2.272 10 0 BEAEHN CC(C)[C@@H](C)NCc1nc2ccccc2c(=O)[nH]1 ZINC000016519133 167383842 /nfs/dbraw/zinc/38/38/42/167383842.db2.gz KRIQCXSDRFHWGO-SNVBAGLBSA-N 0 3 245.326 2.057 10 0 BEAEHN CC(C)[C@@H](C)NCc1cnc([C@@H](C)O)s1 ZINC000289313703 167384156 /nfs/dbraw/zinc/38/41/56/167384156.db2.gz SIKGPMIQVWKDIR-RKDXNWHRSA-N 0 3 228.361 2.331 10 0 BEAEHN CC(C)[C@@H](CCO)N[C@@H](C)c1cncs1 ZINC000123589255 167394020 /nfs/dbraw/zinc/39/40/20/167394020.db2.gz TUXOTGHOWATMMJ-VHSXEESVSA-N 0 3 228.361 2.201 10 0 BEAEHN CC(C)c1cc(N[C@@H](C)CN2CCCC2)ncn1 ZINC000049184090 167576637 /nfs/dbraw/zinc/57/66/37/167576637.db2.gz HHFFBEKOQKXGQW-LBPRGKRZSA-N 0 3 248.374 2.496 10 0 BEAEHN Cc1cc(F)ccc1CN1C[C@H](O)CC[C@@H]1C ZINC000399175697 411021864 /nfs/dbraw/zinc/02/18/64/411021864.db2.gz AZNVNJRLQPNOQR-SMDDNHRTSA-N 0 3 237.318 2.479 10 0 BEAEHN CC[C@@H](NC(=O)[C@H](CN)c1ccccc1)C(C)C ZINC000061612839 411169310 /nfs/dbraw/zinc/16/93/10/411169310.db2.gz NSJVHXJRBHKPAH-ZIAGYGMSSA-N 0 3 248.370 2.280 10 0 BEAEHN C1=CCC(CN2CCN3CCCC[C@H]3C2)C1 ZINC000660078475 411221579 /nfs/dbraw/zinc/22/15/79/411221579.db2.gz WDRZSGZXMUYAAI-AWEZNQCLSA-N 0 3 220.360 2.123 10 0 BEAEHN CCc1ccc([C@@H](CC)N[C@@H]2CCNC2=O)cc1 ZINC000658054223 411223603 /nfs/dbraw/zinc/22/36/03/411223603.db2.gz OXBREOGTNHARGC-ZIAGYGMSSA-N 0 3 246.354 2.178 10 0 BEAEHN C[C@@H]1CC[C@H](NCc2ccccn2)CS1 ZINC000655683271 411224148 /nfs/dbraw/zinc/22/41/48/411224148.db2.gz BRNPHGSQRNCDSB-PWSUYJOCSA-N 0 3 222.357 2.455 10 0 BEAEHN CO[C@@H]1CC[C@@H]2OCCN(CC(C)(C)C)[C@H]2C1 ZINC000092096158 411268535 /nfs/dbraw/zinc/26/85/35/411268535.db2.gz DEMOPUKHCDYRKD-AGIUHOORSA-N 0 3 241.375 2.301 10 0 BEAEHN CO[C@@H]1CC[C@H]2OCCN(C3CCCC3)[C@@H]2C1 ZINC000092097359 411268551 /nfs/dbraw/zinc/26/85/51/411268551.db2.gz DDVHQPVYZRFYQN-MGPQQGTHSA-N 0 3 239.359 2.197 10 0 BEAEHN Cc1cc([C@@H](C)NC2CC(CO)C2)c(C)o1 ZINC000658355445 411298450 /nfs/dbraw/zinc/29/84/50/411298450.db2.gz HRDVKYQUULYHBM-OIKLOGQESA-N 0 3 223.316 2.318 10 0 BEAEHN Cc1ncc([C@H](N)[C@]2(C)C[C@@H]2F)s1 ZINC000575466695 411312276 /nfs/dbraw/zinc/31/22/76/411312276.db2.gz PWNLPTIZNDHVCB-XHNCKOQMSA-N 0 3 200.282 2.199 10 0 BEAEHN CCC[C@@H]1CN(C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000660135009 411252612 /nfs/dbraw/zinc/25/26/12/411252612.db2.gz VHWWBDKCZDDZDU-MELADBBJSA-N 0 3 241.375 2.038 10 0 BEAEHN Cc1ccc([C@@H](C)NC2CC(CO)C2)o1 ZINC000658351989 411354768 /nfs/dbraw/zinc/35/47/68/411354768.db2.gz SADFXCLYPDSLBG-KPPDAEKUSA-N 0 3 209.289 2.010 10 0 BEAEHN COc1ccccc1[C@@H](C)NC1CC(CO)C1 ZINC000658352229 411355274 /nfs/dbraw/zinc/35/52/74/411355274.db2.gz VJTOFRZPOCAOOM-VOMCLLRMSA-N 0 3 235.327 2.117 10 0 BEAEHN COc1ccccc1[C@H](C)NC1CC(CO)C1 ZINC000658352228 411355460 /nfs/dbraw/zinc/35/54/60/411355460.db2.gz VJTOFRZPOCAOOM-UNXYVOJBSA-N 0 3 235.327 2.117 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)NC1(C)CCCCC1 ZINC000045047007 168058186 /nfs/dbraw/zinc/05/81/86/168058186.db2.gz PVLHKQKHUIHETN-SNVBAGLBSA-N 0 3 226.364 2.199 10 0 BEAEHN CC1CCC(CO)(Nc2ccncc2)CC1 ZINC000053109682 168156166 /nfs/dbraw/zinc/15/61/66/168156166.db2.gz FAKKYXYORUYLJW-UHFFFAOYSA-N 0 3 220.316 2.435 10 0 BEAEHN CC(C)n1cnnc1C1(N)CCC(C)CC1 ZINC000054498097 168159817 /nfs/dbraw/zinc/15/98/17/168159817.db2.gz IANNUQSYSICKTN-UHFFFAOYSA-N 0 3 222.336 2.223 10 0 BEAEHN CC(C)(C)N1CCCC[C@H]1c1cn[nH]n1 ZINC000616615883 411390923 /nfs/dbraw/zinc/39/09/23/411390923.db2.gz WVJZQRXMRUCQCM-JTQLQIEISA-N 0 3 208.309 2.130 10 0 BEAEHN CCC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000082368903 168253336 /nfs/dbraw/zinc/25/33/36/168253336.db2.gz YWWQSQGMLOADOH-ZDUSSCGKSA-N 0 3 217.312 2.488 10 0 BEAEHN Fc1ccc2c(c1)[C@H](N[C@@H]1CCOC1)CC2 ZINC000125941974 411408950 /nfs/dbraw/zinc/40/89/50/411408950.db2.gz DYAMITBGMNDTBP-DGCLKSJQSA-N 0 3 221.275 2.192 10 0 BEAEHN COc1ccc([C@@H]2COCCCN2C)cc1 ZINC000616648978 411411186 /nfs/dbraw/zinc/41/11/86/411411186.db2.gz ILVNVDJWHYCTKW-ZDUSSCGKSA-N 0 3 221.300 2.088 10 0 BEAEHN CCN1CCCOC[C@H]1c1ccc(OC)cc1 ZINC000616648251 411411289 /nfs/dbraw/zinc/41/12/89/411411289.db2.gz CQWUFPRAQKAHJR-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CCN(CCOC)c1ccc(F)cc1[C@H](C)N ZINC000042493439 169867570 /nfs/dbraw/zinc/86/75/70/169867570.db2.gz DQZYHLHLNAGGLU-JTQLQIEISA-N 0 3 240.322 2.318 10 0 BEAEHN CCN(Cc1ccoc1)[C@@H]1CCC[C@H]1O ZINC000659871032 411484008 /nfs/dbraw/zinc/48/40/08/411484008.db2.gz LMIQIHPJRDSAQO-VXGBXAGGSA-N 0 3 209.289 2.015 10 0 BEAEHN CCN(c1nc2ccccn2c1CN)C(C)C ZINC000035449135 169944698 /nfs/dbraw/zinc/94/46/98/169944698.db2.gz AZYUOHKSGYAOAR-UHFFFAOYSA-N 0 3 232.331 2.028 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnc2n1CCC2 ZINC000657385882 411489391 /nfs/dbraw/zinc/48/93/91/411489391.db2.gz UPYPHWTYNSDWEY-ZYHUDNBSSA-N 0 3 219.332 2.108 10 0 BEAEHN C([C@@H]1C[C@H]2C[C@H]2C1)N1CCN2CCCC[C@@H]2C1 ZINC000660078700 411534415 /nfs/dbraw/zinc/53/44/15/411534415.db2.gz YTPQCJDKCXUCDM-LXTVHRRPSA-N 0 3 234.387 2.203 10 0 BEAEHN CC[C@@H]1C[C@H](N[C@H](C)c2cncc(F)c2)CO1 ZINC000657430686 411507848 /nfs/dbraw/zinc/50/78/48/411507848.db2.gz ANXCWERSZOPVBP-JIMOISOXSA-N 0 3 238.306 2.439 10 0 BEAEHN CCN1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000028007144 170025028 /nfs/dbraw/zinc/02/50/28/170025028.db2.gz JTFQEMMAIKTXMV-UHFFFAOYSA-N 0 3 227.311 2.455 10 0 BEAEHN CCN1CCc2nc(CNC(C)C)sc2C1 ZINC000053295471 170025814 /nfs/dbraw/zinc/02/58/14/170025814.db2.gz QYXCTXMGBQPQFU-UHFFFAOYSA-N 0 3 239.388 2.019 10 0 BEAEHN CCNC(=O)CCN[C@H](C)c1ccc(F)cc1 ZINC000051758988 170053469 /nfs/dbraw/zinc/05/34/69/170053469.db2.gz XQWRDHCLKVZZGE-SNVBAGLBSA-N 0 3 238.306 2.003 10 0 BEAEHN CCNC(=O)CN[C@@H](CC)c1ccc(CC)cc1 ZINC000036780313 170065607 /nfs/dbraw/zinc/06/56/07/170065607.db2.gz UFILOMUKNKQZJT-AWEZNQCLSA-N 0 3 248.370 2.426 10 0 BEAEHN CCNC(C)(C)C(=O)N(C)c1cccc(F)c1 ZINC000061299330 170106087 /nfs/dbraw/zinc/10/60/87/170106087.db2.gz MEIBZWJQQORNMH-UHFFFAOYSA-N 0 3 238.306 2.177 10 0 BEAEHN CCNC(C)(C)C(=O)N(C)c1ccccc1C ZINC000061299322 170106657 /nfs/dbraw/zinc/10/66/57/170106657.db2.gz FRGUVDJBRWVNNT-UHFFFAOYSA-N 0 3 234.343 2.346 10 0 BEAEHN CC[NH2+]C(C)(C)c1nnc(-c2cccs2)[n-]1 ZINC000061152175 170107467 /nfs/dbraw/zinc/10/74/67/170107467.db2.gz WXXZEHJMKAVDKQ-UHFFFAOYSA-N 0 3 236.344 2.378 10 0 BEAEHN CCNC(C)(C)c1nc(-c2cccs2)n[nH]1 ZINC000061152175 170107469 /nfs/dbraw/zinc/10/74/69/170107469.db2.gz WXXZEHJMKAVDKQ-UHFFFAOYSA-N 0 3 236.344 2.378 10 0 BEAEHN CCNC1(c2nc(C)cs2)CCOCC1 ZINC000041061070 170108386 /nfs/dbraw/zinc/10/83/86/170108386.db2.gz GWQVQXWCZUXSAD-UHFFFAOYSA-N 0 3 226.345 2.067 10 0 BEAEHN CCNC1(c2nccs2)CCSCC1 ZINC000041061012 170108473 /nfs/dbraw/zinc/10/84/73/170108473.db2.gz SBCJTFDIBUBYTA-UHFFFAOYSA-N 0 3 228.386 2.475 10 0 BEAEHN CCNCC(=O)c1c[nH]c2ccc(OCC)cc12 ZINC000107292831 170109939 /nfs/dbraw/zinc/10/99/39/170109939.db2.gz DOKMVICUVTXEAN-UHFFFAOYSA-N 0 3 246.310 2.359 10 0 BEAEHN CCNCc1c(C)nc(-c2ccncc2)nc1C ZINC000054854132 170124201 /nfs/dbraw/zinc/12/42/01/170124201.db2.gz ONRMYOGTEDGBDJ-UHFFFAOYSA-N 0 3 242.326 2.265 10 0 BEAEHN CCNCc1cc(N2CCC[C@H]2C)ccn1 ZINC000051398841 170125773 /nfs/dbraw/zinc/12/57/73/170125773.db2.gz XHFLNWOHKOZQHD-LLVKDONJSA-N 0 3 219.332 2.180 10 0 BEAEHN CCNCc1ccc(-c2cnn(C)c2)cc1F ZINC000038073114 170126918 /nfs/dbraw/zinc/12/69/18/170126918.db2.gz RTDAYTDAVSTYNQ-UHFFFAOYSA-N 0 3 233.290 2.336 10 0 BEAEHN CCNCc1cccc(OC)c1OCC(F)F ZINC000037755554 170128462 /nfs/dbraw/zinc/12/84/62/170128462.db2.gz AZCOIFICBUNYAR-UHFFFAOYSA-N 0 3 245.269 2.449 10 0 BEAEHN CCNCc1ccnc(C2CCCC2)n1 ZINC000054791294 170129256 /nfs/dbraw/zinc/12/92/56/170129256.db2.gz UDRWIONBGMHTRN-UHFFFAOYSA-N 0 3 205.305 2.244 10 0 BEAEHN CCNCc1cnn(Cc2ccccc2)c1C ZINC000042355615 170129916 /nfs/dbraw/zinc/12/99/16/170129916.db2.gz MEDDZWVQAUFOKX-UHFFFAOYSA-N 0 3 229.327 2.349 10 0 BEAEHN CCNCc1cnc(N2CC[C@@H](C)C2)s1 ZINC000054905905 170130157 /nfs/dbraw/zinc/13/01/57/170130157.db2.gz YTPPYDYQMGQFLB-SECBINFHSA-N 0 3 225.361 2.099 10 0 BEAEHN CCNCc1cnc(N2CCC[C@H]2C)s1 ZINC000054899003 170130703 /nfs/dbraw/zinc/13/07/03/170130703.db2.gz NUJLOKQUDZFBAF-SECBINFHSA-N 0 3 225.361 2.241 10 0 BEAEHN CCNCc1cnn(-c2ccccc2F)c1C ZINC000042355627 170130793 /nfs/dbraw/zinc/13/07/93/170130793.db2.gz VTLMDCDSDZCHON-UHFFFAOYSA-N 0 3 233.290 2.429 10 0 BEAEHN CCNCc1cnc(N2CCC[C@H](C)C2)s1 ZINC000054900620 170130968 /nfs/dbraw/zinc/13/09/68/170130968.db2.gz HEOMQVYICOLDJP-JTQLQIEISA-N 0 3 239.388 2.489 10 0 BEAEHN CCNCc1nc2c(cccc2Cl)[nH]1 ZINC000044624092 170131585 /nfs/dbraw/zinc/13/15/85/170131585.db2.gz AQPPKSHKKSTOKT-UHFFFAOYSA-N 0 3 209.680 2.326 10 0 BEAEHN CCNCc1nccn1CCc1ccccc1 ZINC000051005014 170131785 /nfs/dbraw/zinc/13/17/85/170131785.db2.gz ONTSVPGIKVPWRY-UHFFFAOYSA-N 0 3 229.327 2.235 10 0 BEAEHN CCNCc1sc(CCOC)nc1C1CC1 ZINC000082435294 170132896 /nfs/dbraw/zinc/13/28/96/170132896.db2.gz VTBCMWJUSUFEHT-UHFFFAOYSA-N 0 3 240.372 2.319 10 0 BEAEHN CCN[C@@H](C)C(=O)c1ccc(OCC)c(F)c1 ZINC000071549355 170137642 /nfs/dbraw/zinc/13/76/42/170137642.db2.gz PHNABNVKWKALDS-VIFPVBQESA-N 0 3 239.290 2.405 10 0 BEAEHN CCN[C@@H](C)c1cnn(C[C@@H]2CCCCO2)c1 ZINC000054721250 170142715 /nfs/dbraw/zinc/14/27/15/170142715.db2.gz VKYGEAKLLMJJLF-AAEUAGOBSA-N 0 3 237.347 2.123 10 0 BEAEHN CCN[C@@H](C)c1cnc(-c2cnccn2)s1 ZINC000054159742 170143350 /nfs/dbraw/zinc/14/33/50/170143350.db2.gz HSGBRYAURJOINL-QMMMGPOBSA-N 0 3 234.328 2.271 10 0 BEAEHN CCN[C@@H]1CC(C)(C)Cc2ncncc21 ZINC000050101226 170150022 /nfs/dbraw/zinc/15/00/22/170150022.db2.gz KEQYYUXZOUZCBH-SNVBAGLBSA-N 0 3 205.305 2.100 10 0 BEAEHN CCN[C@@H]1CCC[S@](=O)c2ccc(F)cc21 ZINC000040974228 170151691 /nfs/dbraw/zinc/15/16/91/170151691.db2.gz KMKOGNQFSHIOJN-BDJLRTHQSA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@@H]1CCN([C@@H](C)c2ccc(C)cc2)C1=O ZINC000049660298 170151736 /nfs/dbraw/zinc/15/17/36/170151736.db2.gz KKRNDMPBBVNEIW-GXTWGEPZSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@@H]1CCN([C@H](C)c2ccc(C)cc2)C1=O ZINC000049660301 170152829 /nfs/dbraw/zinc/15/28/29/170152829.db2.gz KKRNDMPBBVNEIW-TZMCWYRMSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@@H]1CCN([C@H](C)c2ccccc2C)C1=O ZINC000049659969 170153138 /nfs/dbraw/zinc/15/31/38/170153138.db2.gz UZCUWDBAAICPHK-TZMCWYRMSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647877 170153306 /nfs/dbraw/zinc/15/33/06/170153306.db2.gz DIAJPDSZOFFGCX-CYBMUJFWSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@@H]1CC[S@@](=O)c2c(C)ccc(C)c21 ZINC000040974412 170153648 /nfs/dbraw/zinc/15/36/48/170153648.db2.gz FGXHCGGUUBNRNP-BZNIZROVSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@@H]1c2ccc(F)c(F)c2O[C@@H]1C ZINC000062611522 170154701 /nfs/dbraw/zinc/15/47/01/170154701.db2.gz MOWNCBLLAQETIN-LDWIPMOCSA-N 0 3 213.227 2.396 10 0 BEAEHN CCN[C@H](C)c1cnn(-c2ccccn2)c1C ZINC000040932710 170159708 /nfs/dbraw/zinc/15/97/08/170159708.db2.gz ZFEACAKNIYGUNP-SNVBAGLBSA-N 0 3 230.315 2.246 10 0 BEAEHN CCN[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000049648337 170167488 /nfs/dbraw/zinc/16/74/88/170167488.db2.gz CAAMTUUCZJOLDG-NSHDSACASA-N 0 3 238.718 2.055 10 0 BEAEHN CCN[C@H]1CCN([C@@H](C)C2CCCCC2)C1=O ZINC000052340298 170167895 /nfs/dbraw/zinc/16/78/95/170167895.db2.gz GWCOSLTZKUWRCM-AAEUAGOBSA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@H]1c2cccc(OC)c2O[C@@H]1C ZINC000043633335 170169973 /nfs/dbraw/zinc/16/99/73/170169973.db2.gz ILSHZDCFJHPWAH-LDYMZIIASA-N 0 3 207.273 2.127 10 0 BEAEHN CCNc1ncccc1CN1CC[C@@H](C)C1 ZINC000052723137 170178604 /nfs/dbraw/zinc/17/86/04/170178604.db2.gz XTTNQOQGRAKWEN-LLVKDONJSA-N 0 3 219.332 2.355 10 0 BEAEHN CCOC(=O)CCNCc1ccc(Cl)s1 ZINC000045686662 170209275 /nfs/dbraw/zinc/20/92/75/170209275.db2.gz CKKALPNLGWTMBW-UHFFFAOYSA-N 0 3 247.747 2.444 10 0 BEAEHN CCOC(=O)CCNCc1ccc2[nH]ccc2c1 ZINC000083375265 170209301 /nfs/dbraw/zinc/20/93/01/170209301.db2.gz MENGAHWDWMYNNV-UHFFFAOYSA-N 0 3 246.310 2.211 10 0 BEAEHN CCOC(=O)CCNCc1c[nH]c2ccccc12 ZINC000051754412 170209360 /nfs/dbraw/zinc/20/93/60/170209360.db2.gz ZUBRRKCCGVMDOA-UHFFFAOYSA-N 0 3 246.310 2.211 10 0 BEAEHN CCOC(=O)CCNCc1ccc2cc[nH]c2c1 ZINC000083375266 170209460 /nfs/dbraw/zinc/20/94/60/170209460.db2.gz CZBBGAUHCIQKEN-UHFFFAOYSA-N 0 3 246.310 2.211 10 0 BEAEHN CCOCCCn1c2ccccc2nc1[C@H](C)N ZINC000040163838 170385831 /nfs/dbraw/zinc/38/58/31/170385831.db2.gz GDSZQXBRDAJTHQ-NSHDSACASA-N 0 3 247.342 2.483 10 0 BEAEHN CCOCCN1CCN(C[C@H](C)CC)C[C@H]1C ZINC000120451982 170399326 /nfs/dbraw/zinc/39/93/26/170399326.db2.gz FZVRRBFYSVOLGY-ZIAGYGMSSA-N 0 3 242.407 2.075 10 0 BEAEHN CCOCCO[C@@H](C)[C@@H](N)c1ccc(C)cc1 ZINC000019406503 170421627 /nfs/dbraw/zinc/42/16/27/170421627.db2.gz FFJWMYCMCGJMPZ-GXTWGEPZSA-N 0 3 237.343 2.436 10 0 BEAEHN CCc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)[n-]1 ZINC000131642471 411581971 /nfs/dbraw/zinc/58/19/71/411581971.db2.gz NUTRUVJKRDTUOC-LPEHRKFASA-N 0 3 222.336 2.206 10 0 BEAEHN CCc1nnc([C@H](C)N[C@@H]2CCC[C@@H]2C)[nH]1 ZINC000131642471 411581972 /nfs/dbraw/zinc/58/19/72/411581972.db2.gz NUTRUVJKRDTUOC-LPEHRKFASA-N 0 3 222.336 2.206 10 0 BEAEHN OCC1CC(NCc2ccc(F)cc2Cl)C1 ZINC000657813129 411604370 /nfs/dbraw/zinc/60/43/70/411604370.db2.gz RBBAOKXSECJXEM-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN CCCc1nccnc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000663662279 411717615 /nfs/dbraw/zinc/71/76/15/411717615.db2.gz TZMUKJKPDVFEES-VXGBXAGGSA-N 0 3 248.374 2.324 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccc(C)s2)CN1 ZINC000036672934 171109537 /nfs/dbraw/zinc/10/95/37/171109537.db2.gz QUTDVMSSCDOOCP-NXEZZACHSA-N 0 3 211.330 2.496 10 0 BEAEHN CC[C@@H]1NCCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000095752820 171146935 /nfs/dbraw/zinc/14/69/35/171146935.db2.gz LWQBEZTZVBCXBH-QWRGUYRKSA-N 0 3 242.363 2.384 10 0 BEAEHN CC[C@@H]1NCCc2c(OC)cc(OC)cc21 ZINC000011599383 171150289 /nfs/dbraw/zinc/15/02/89/171150289.db2.gz DSJSEHXVRKMMMH-LBPRGKRZSA-N 0 3 221.300 2.301 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1ccccc1F ZINC000119406853 171177507 /nfs/dbraw/zinc/17/75/07/171177507.db2.gz YCOZVRSLUBTYLY-CYBMUJFWSA-N 0 3 225.307 2.419 10 0 BEAEHN CC[C@@]1(C)CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000121393369 171198723 /nfs/dbraw/zinc/19/87/23/171198723.db2.gz UJTZNISAXKJAJB-UWVGGRQHSA-N 0 3 239.281 2.422 10 0 BEAEHN CC[C@H](C)CNCc1cnn(-c2ccccc2)n1 ZINC000054467773 171286268 /nfs/dbraw/zinc/28/62/68/171286268.db2.gz GUVSECVSFUSFDL-LBPRGKRZSA-N 0 3 244.342 2.403 10 0 BEAEHN CC[C@H](C)N(C)CC(=O)Nc1ccc(N)cc1C ZINC000037109403 171304759 /nfs/dbraw/zinc/30/47/59/171304759.db2.gz QYKSJFYDLHZGCP-NSHDSACASA-N 0 3 249.358 2.246 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1cccc(OC)c1 ZINC000020036558 171339052 /nfs/dbraw/zinc/33/90/52/171339052.db2.gz QIYQKFVFQPPOKJ-JTQLQIEISA-N 0 3 236.315 2.022 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1ccccc1N(C)C ZINC000037617662 171339446 /nfs/dbraw/zinc/33/94/46/171339446.db2.gz DYLGPZDDNAYCSI-NSHDSACASA-N 0 3 249.358 2.079 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1cc(F)ccc1F ZINC000037386498 171339539 /nfs/dbraw/zinc/33/95/39/171339539.db2.gz YASNGXOAWUAPKU-QMMMGPOBSA-N 0 3 242.269 2.291 10 0 BEAEHN CC[C@H](C)NCC(=O)c1cccc(OC)c1 ZINC000041613343 171340008 /nfs/dbraw/zinc/34/00/08/171340008.db2.gz HLELUELPTAOFCA-JTQLQIEISA-N 0 3 221.300 2.266 10 0 BEAEHN CC[C@H](C)NCC(=O)c1ccc(OC)c(F)c1 ZINC000049829655 171340546 /nfs/dbraw/zinc/34/05/46/171340546.db2.gz WOEVWOVBWGDCKN-VIFPVBQESA-N 0 3 239.290 2.405 10 0 BEAEHN CC[C@H](C)NCc1csc(CN(C)C)n1 ZINC000082686661 171343752 /nfs/dbraw/zinc/34/37/52/171343752.db2.gz SDFPRSDASSOXKF-VIFPVBQESA-N 0 3 227.377 2.093 10 0 BEAEHN CC[C@H](C)NCc1nn(C)nc1-c1ccccc1 ZINC000045944769 171343926 /nfs/dbraw/zinc/34/39/26/171343926.db2.gz UQCUABXSDPSPPK-NSHDSACASA-N 0 3 244.342 2.370 10 0 BEAEHN CC[C@H](C)NCc1nc(-c2ccccn2)c[nH]1 ZINC000037618020 171344610 /nfs/dbraw/zinc/34/46/10/171344610.db2.gz QLCBNASSTYNFDI-JTQLQIEISA-N 0 3 230.315 2.360 10 0 BEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1ccccc1C ZINC000038065711 171347404 /nfs/dbraw/zinc/34/74/04/171347404.db2.gz LEPYVMPLGSXTSH-SMDDNHRTSA-N 0 3 234.343 2.084 10 0 BEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1ccccc1C ZINC000038065709 171348475 /nfs/dbraw/zinc/34/84/75/171348475.db2.gz LEPYVMPLGSXTSH-FZMZJTMJSA-N 0 3 234.343 2.084 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(C)(C)CC1 ZINC000061821055 171370054 /nfs/dbraw/zinc/37/00/54/171370054.db2.gz UAENOEUDCSVTEK-WDEREUQCSA-N 0 3 226.364 2.008 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccccc1OC ZINC000019519255 171372004 /nfs/dbraw/zinc/37/20/04/171372004.db2.gz SRMHWLICVOYIIQ-JOYOIKCWSA-N 0 3 236.315 2.007 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccccc1N(C)C ZINC000037508899 171372108 /nfs/dbraw/zinc/37/21/08/171372108.db2.gz VOCHYOUOBFIMHK-GXFFZTMASA-N 0 3 249.358 2.065 10 0 BEAEHN CC[C@H](C)[C@@](C)(NCc1ccccc1)C(N)=O ZINC000037941179 171381525 /nfs/dbraw/zinc/38/15/25/171381525.db2.gz CUJTWMHGMFJWCB-SMDDNHRTSA-N 0 3 234.343 2.066 10 0 BEAEHN CC[C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 ZINC000107090412 171382180 /nfs/dbraw/zinc/38/21/80/171382180.db2.gz HKBHWTZBSJEWCD-QWRGUYRKSA-N 0 3 242.363 2.241 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366343688 171394549 /nfs/dbraw/zinc/39/45/49/171394549.db2.gz CEHFQASNCMDTQR-RVMXOQNASA-N 0 3 238.375 2.151 10 0 BEAEHN C[C@@H](NCc1ccc(CO)o1)C(C)(C)C ZINC000133005293 412389326 /nfs/dbraw/zinc/38/93/26/412389326.db2.gz LQLSJXDESUOZDN-SECBINFHSA-N 0 3 211.305 2.296 10 0 BEAEHN CCc1ncc(CN[C@@H]2CCC[C@@H](O)C2)s1 ZINC000037924637 172019060 /nfs/dbraw/zinc/01/90/60/172019060.db2.gz QTYMNYQWEUSXKS-NXEZZACHSA-N 0 3 240.372 2.099 10 0 BEAEHN CCc1noc(C)c1CN(C[C@@H](C)O)C(C)C ZINC000119040703 172076023 /nfs/dbraw/zinc/07/60/23/172076023.db2.gz OJGJXZTXSNFNON-SNVBAGLBSA-N 0 3 240.347 2.137 10 0 BEAEHN CCn1cc(C[C@@H](NC)c2cccc(C)n2)cn1 ZINC000104167277 172176639 /nfs/dbraw/zinc/17/66/39/172176639.db2.gz FHQOCXOFQVGGFH-CQSZACIVSA-N 0 3 244.342 2.110 10 0 BEAEHN CCn1cc([C@@H](N)c2ccc(C)cc2)cn1 ZINC000043469100 172194170 /nfs/dbraw/zinc/19/41/70/172194170.db2.gz NOQAYLXCGLZEIR-ZDUSSCGKSA-N 0 3 215.300 2.260 10 0 BEAEHN CCn1cc([C@H](N)c2ccc(F)cc2)cn1 ZINC000043468923 172198967 /nfs/dbraw/zinc/19/89/67/172198967.db2.gz MPTBKTWDSNOJTL-GFCCVEGCSA-N 0 3 219.263 2.090 10 0 BEAEHN CCn1ccnc1Oc1ccccc1CN ZINC000050614533 172227979 /nfs/dbraw/zinc/22/79/79/172227979.db2.gz RVSNHTAAFTVBKO-UHFFFAOYSA-N 0 3 217.272 2.154 10 0 BEAEHN CCn1nccc1CNCCCCSC ZINC000119275315 172270032 /nfs/dbraw/zinc/27/00/32/172270032.db2.gz BRRVAJVNJPMXHW-UHFFFAOYSA-N 0 3 227.377 2.136 10 0 BEAEHN CN(CC1CCC1)c1ccccc1CN ZINC000061453018 172657076 /nfs/dbraw/zinc/65/70/76/172657076.db2.gz JIUSXPYDYNLOFR-UHFFFAOYSA-N 0 3 204.317 2.382 10 0 BEAEHN CN1CCCC[C@@H]1c1ccccc1CO ZINC000075907085 173006909 /nfs/dbraw/zinc/00/69/09/173006909.db2.gz NKXRYYHQOGGAED-CYBMUJFWSA-N 0 3 205.301 2.336 10 0 BEAEHN CN1CCCC[C@H]1c1ccccc1CO ZINC000075907087 173010230 /nfs/dbraw/zinc/01/02/30/173010230.db2.gz NKXRYYHQOGGAED-ZDUSSCGKSA-N 0 3 205.301 2.336 10 0 BEAEHN CN(C)c1ccc(N[C@@H]2CCCN(C)C2)cc1 ZINC000076680485 173021507 /nfs/dbraw/zinc/02/15/07/173021507.db2.gz SDYUNAGOAVBPLA-CYBMUJFWSA-N 0 3 233.359 2.259 10 0 BEAEHN CN1CCC[C@H](Nc2ccc(Cl)cc2N)C1 ZINC000040715828 173045837 /nfs/dbraw/zinc/04/58/37/173045837.db2.gz HYQHLKOXJPPMLD-JTQLQIEISA-N 0 3 239.750 2.428 10 0 BEAEHN CN1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000076641899 173046818 /nfs/dbraw/zinc/04/68/18/173046818.db2.gz VDPBYOPAUHUDQB-LBPRGKRZSA-N 0 3 208.280 2.332 10 0 BEAEHN CN1CCC[C@H](Nc2cnnc3ccccc32)C1 ZINC000104119446 173047032 /nfs/dbraw/zinc/04/70/32/173047032.db2.gz RVHNYBXFUKSZOU-NSHDSACASA-N 0 3 242.326 2.136 10 0 BEAEHN CN1CCC[C@](C)(c2cccc(O)c2)C1 ZINC000027564291 173062336 /nfs/dbraw/zinc/06/23/36/173062336.db2.gz IBRMGIQKMQEATN-ZDUSSCGKSA-N 0 3 205.301 2.376 10 0 BEAEHN CN1CC[C@@H](Nc2ccc(Cl)cc2N)C1 ZINC000042545181 173125218 /nfs/dbraw/zinc/12/52/18/173125218.db2.gz QOKYWDLDLLHNEH-SECBINFHSA-N 0 3 225.723 2.038 10 0 BEAEHN CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1 ZINC000013474999 173156292 /nfs/dbraw/zinc/15/62/92/173156292.db2.gz MVNHJEXPDKVMJY-DGCLKSJQSA-N 0 3 239.746 2.368 10 0 BEAEHN CN1CCc2cc(-c3ncc(CN)s3)ccc21 ZINC000050286211 173170041 /nfs/dbraw/zinc/17/00/41/173170041.db2.gz HCNCJGHCMWZUPO-UHFFFAOYSA-N 0 3 245.351 2.261 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@@H]1CCCCc2ccccc21 ZINC000042560199 173295292 /nfs/dbraw/zinc/29/52/92/173295292.db2.gz CDGLHAFKJFIALR-BXUZGUMPSA-N 0 3 246.354 2.178 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@H](C)c1c(C)cc(C)cc1C ZINC000042560578 173295855 /nfs/dbraw/zinc/29/58/55/173295855.db2.gz FPPDGPPGRCFVSU-CHWSQXEVSA-N 0 3 248.370 2.397 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cc(C)cc(C)c1 ZINC000061300215 173318350 /nfs/dbraw/zinc/31/83/50/173318350.db2.gz UXFZGKGMENISDT-UHFFFAOYSA-N 0 3 220.316 2.240 10 0 BEAEHN CNC(C)(C)C(=O)Nc1nc(C(C)C)cs1 ZINC000061318877 173319099 /nfs/dbraw/zinc/31/90/99/173319099.db2.gz YAXWPJYHAJBECE-UHFFFAOYSA-N 0 3 241.360 2.203 10 0 BEAEHN CNC(C)(C)c1nc2c(cccc2C)[nH]1 ZINC000061149867 173321067 /nfs/dbraw/zinc/32/10/67/173321067.db2.gz PPLYZGLHGXLIOX-UHFFFAOYSA-N 0 3 203.289 2.326 10 0 BEAEHN CNC(C)(C)c1nc2cccc(C)c2[nH]1 ZINC000061149867 173321069 /nfs/dbraw/zinc/32/10/69/173321069.db2.gz PPLYZGLHGXLIOX-UHFFFAOYSA-N 0 3 203.289 2.326 10 0 BEAEHN CNCc1c(C)nn(Cc2cccs2)c1C ZINC000036868412 173385053 /nfs/dbraw/zinc/38/50/53/173385053.db2.gz ZKOZIJGCXPWIOC-UHFFFAOYSA-N 0 3 235.356 2.329 10 0 BEAEHN CNCc1cc(-c2ccccc2Cl)n[nH]1 ZINC000050478930 173386092 /nfs/dbraw/zinc/38/60/92/173386092.db2.gz CKFUEOZKIGXRNB-UHFFFAOYSA-N 0 3 221.691 2.450 10 0 BEAEHN CNCc1cc(Br)oc1C ZINC000083284619 173386202 /nfs/dbraw/zinc/38/62/02/173386202.db2.gz DRDUUXMDLBJIRD-UHFFFAOYSA-N 0 3 204.067 2.070 10 0 BEAEHN CNCc1cccnc1N(C)CC1CCCC1 ZINC000104361432 173390184 /nfs/dbraw/zinc/39/01/84/173390184.db2.gz LUVPICXUGWEBMW-UHFFFAOYSA-N 0 3 233.359 2.427 10 0 BEAEHN CNCc1ccccc1NC(=O)CCSC ZINC000036280608 173390381 /nfs/dbraw/zinc/39/03/81/173390381.db2.gz AFLJHVMDSZLOCL-UHFFFAOYSA-N 0 3 238.356 2.098 10 0 BEAEHN CNCc1ccnc(C2CCCCC2)n1 ZINC000054791177 173391167 /nfs/dbraw/zinc/39/11/67/173391167.db2.gz OXCCZXQRHNWUIM-UHFFFAOYSA-N 0 3 205.305 2.244 10 0 BEAEHN CNCc1cnc([C@H]2CCC[C@@H](C)C2)nc1 ZINC000054855481 173392164 /nfs/dbraw/zinc/39/21/64/173392164.db2.gz DVQHRLRSCWARSX-PWSUYJOCSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cnc(-c2cc(F)ccc2C)nc1 ZINC000054855593 173392196 /nfs/dbraw/zinc/39/21/96/173392196.db2.gz QWEXVEXJYUAUET-UHFFFAOYSA-N 0 3 231.274 2.311 10 0 BEAEHN CNCc1cnc(N(C)C2CCCC2)s1 ZINC000054902543 173392701 /nfs/dbraw/zinc/39/27/01/173392701.db2.gz PPYGPQWMTFVCFJ-UHFFFAOYSA-N 0 3 225.361 2.241 10 0 BEAEHN CNCc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000052381042 173395659 /nfs/dbraw/zinc/39/56/59/173395659.db2.gz LLYCQUSUYMOPCY-JTQLQIEISA-N 0 3 239.388 2.094 10 0 BEAEHN CNCc1nc(-c2ccccc2C)c[nH]1 ZINC000036877235 173397149 /nfs/dbraw/zinc/39/71/49/173397149.db2.gz BTUKTIXGHRINGD-UHFFFAOYSA-N 0 3 201.273 2.105 10 0 BEAEHN CNCc1oc(Cn2cnc(C)c2C)cc1C ZINC000052593850 173399396 /nfs/dbraw/zinc/39/93/96/173399396.db2.gz SFYHTUGWFRXXDT-UHFFFAOYSA-N 0 3 233.315 2.169 10 0 BEAEHN CN[C@@H](Cc1ccccc1F)c1cnn(C)c1 ZINC000035500325 173426103 /nfs/dbraw/zinc/42/61/03/173426103.db2.gz ASWWOWBLHSKWBQ-ZDUSSCGKSA-N 0 3 233.290 2.062 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc2sccc2c1 ZINC000054073410 173444998 /nfs/dbraw/zinc/44/49/98/173444998.db2.gz JXFVVUNZISCWJT-MRVPVSSYSA-N 0 3 234.324 2.448 10 0 BEAEHN COCCC[NH2+][C@H](C)c1ccc([O-])c(F)c1 ZINC000020551078 174249824 /nfs/dbraw/zinc/24/98/24/174249824.db2.gz REISNIDXNUOLDM-SECBINFHSA-N 0 3 227.279 2.218 10 0 BEAEHN COCCCO[C@H]1CCCc2ccccc2[C@@H]1N ZINC000037747114 174257106 /nfs/dbraw/zinc/25/71/06/174257106.db2.gz HEMSXNJOFRNSBH-GJZGRUSLSA-N 0 3 249.354 2.444 10 0 BEAEHN COCCN([C@@H](C)c1cccc(N)c1)C1CC1 ZINC000042517320 174285603 /nfs/dbraw/zinc/28/56/03/174285603.db2.gz YIFLCUHLCOVRED-NSHDSACASA-N 0 3 234.343 2.441 10 0 BEAEHN COCCN(Cc1cccc(N)c1C)C1CC1 ZINC000042517315 174299460 /nfs/dbraw/zinc/29/94/60/174299460.db2.gz RVOPGRHGJSEINE-UHFFFAOYSA-N 0 3 234.343 2.188 10 0 BEAEHN COCCNCCOc1c(C)ccc(C)c1C ZINC000041279118 174333409 /nfs/dbraw/zinc/33/34/09/174333409.db2.gz LVKMQXQPKPAQFV-UHFFFAOYSA-N 0 3 237.343 2.227 10 0 BEAEHN COCCNC[C@@H](O)c1ccc(C(C)C)cc1 ZINC000033466128 174333976 /nfs/dbraw/zinc/33/39/76/174333976.db2.gz LEMHGQNJGAZJAW-CQSZACIVSA-N 0 3 237.343 2.079 10 0 BEAEHN COCCNCc1cc(C)c(OC)cc1C ZINC000057516182 174334733 /nfs/dbraw/zinc/33/47/33/174334733.db2.gz IPXKHMHFBJWBHW-UHFFFAOYSA-N 0 3 223.316 2.048 10 0 BEAEHN COCCOc1ccc(C(F)(F)F)cc1CN ZINC000036927013 174367993 /nfs/dbraw/zinc/36/79/93/174367993.db2.gz NFXYSVYMFTXKRL-UHFFFAOYSA-N 0 3 249.232 2.189 10 0 BEAEHN COc1cc(Cl)c(Cl)cc1CN ZINC000083139414 174989054 /nfs/dbraw/zinc/98/90/54/174989054.db2.gz LQPLYIVGXQPUPT-UHFFFAOYSA-N 0 3 206.072 2.461 10 0 BEAEHN COc1cc(OC)c([C@H](N)C(C)C)c(OC)c1 ZINC000019967917 175007663 /nfs/dbraw/zinc/00/76/63/175007663.db2.gz LTYZEQZMTRHVIY-CYBMUJFWSA-N 0 3 239.315 2.368 10 0 BEAEHN COc1ccc(C(=O)CNC(C)(C)C)cc1 ZINC000041613033 175053574 /nfs/dbraw/zinc/05/35/74/175053574.db2.gz SSPIHBAAHYNCCE-UHFFFAOYSA-N 0 3 221.300 2.266 10 0 BEAEHN COc1ccc(C)cc1C(=O)CNCC(C)C ZINC000049827484 175072872 /nfs/dbraw/zinc/07/28/72/175072872.db2.gz RPLXKANLXZVFND-UHFFFAOYSA-N 0 3 235.327 2.432 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)CSC ZINC000055264799 175079978 /nfs/dbraw/zinc/07/99/78/175079978.db2.gz LIHKXNHEZSYGOQ-JTQLQIEISA-N 0 3 211.330 2.366 10 0 BEAEHN COc1ccc(CNC2CCC2)c(F)c1 ZINC000076642468 175105328 /nfs/dbraw/zinc/10/53/28/175105328.db2.gz JCAMDGUZUKELLK-UHFFFAOYSA-N 0 3 209.264 2.476 10 0 BEAEHN COc1ccc(F)c(C(C)(C)N)c1F ZINC000075925403 175124132 /nfs/dbraw/zinc/12/41/32/175124132.db2.gz PKWZUBOZELBMKX-UHFFFAOYSA-N 0 3 201.216 2.167 10 0 BEAEHN COc1ccc(OC)c2c1CCN[C@H]2C1CC1 ZINC000028429934 175170843 /nfs/dbraw/zinc/17/08/43/175170843.db2.gz BUFVEHPXNPTIRG-AWEZNQCLSA-N 0 3 233.311 2.301 10 0 BEAEHN COc1ccc([C@H](N)[C@@H]2CCCO2)c(F)c1 ZINC000036766424 175191916 /nfs/dbraw/zinc/19/19/16/175191916.db2.gz JXEQINCPOYVQFU-RYUDHWBXSA-N 0 3 225.263 2.013 10 0 BEAEHN COc1ccc([C@H](N)[C@@H]2CCCCO2)cc1 ZINC000050960627 175192141 /nfs/dbraw/zinc/19/21/41/175192141.db2.gz NHXUGZQWFDXBTC-STQMWFEESA-N 0 3 221.300 2.264 10 0 BEAEHN COc1ccc([C@H](N)[C@H]2CCCCO2)c(F)c1 ZINC000050962714 175192332 /nfs/dbraw/zinc/19/23/32/175192332.db2.gz NDPOXHQGZOTJHY-OLZOCXBDSA-N 0 3 239.290 2.403 10 0 BEAEHN COc1ccc2c(c1)CCN[C@@H]2c1ccncc1 ZINC000019625655 175209200 /nfs/dbraw/zinc/20/92/00/175209200.db2.gz YTQCJMMJKRBJGA-OAHLLOKOSA-N 0 3 240.306 2.325 10 0 BEAEHN COc1ccc2c(c1OC)OC(C)(C)C[C@@H]2N ZINC000011848978 175223069 /nfs/dbraw/zinc/22/30/69/175223069.db2.gz JFGLESYTHHUHNS-VIFPVBQESA-N 0 3 237.299 2.265 10 0 BEAEHN COc1cccc(Cc2ncc(CN)s2)c1 ZINC000040996545 175273702 /nfs/dbraw/zinc/27/37/02/175273702.db2.gz IAWNVTIMMPTOSM-UHFFFAOYSA-N 0 3 234.324 2.201 10 0 BEAEHN COc1cccc(NC(=O)[C@H]2CCC[C@@H](C)N2)c1 ZINC000019511020 175277450 /nfs/dbraw/zinc/27/74/50/175277450.db2.gz WSSUKRIIZLMRHS-ZWNOBZJWSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1cccc(N[C@@H]2CN3CCC2CC3)c1 ZINC000020441103 175280010 /nfs/dbraw/zinc/28/00/10/175280010.db2.gz PYCNBQWMIAEVAL-CQSZACIVSA-N 0 3 232.327 2.201 10 0 BEAEHN COc1cccc([C@@H](CN)OCC(F)(F)F)c1 ZINC000043029107 175288212 /nfs/dbraw/zinc/28/82/12/175288212.db2.gz IWSPRFXGWDRHJM-SNVBAGLBSA-N 0 3 249.232 2.274 10 0 BEAEHN COc1cccc([C@@H](N)c2ccncc2)c1 ZINC000037466449 175288479 /nfs/dbraw/zinc/28/84/79/175288479.db2.gz DAKBYZAXNNKLCC-ZDUSSCGKSA-N 0 3 214.268 2.138 10 0 BEAEHN COc1cccc([C@H](N)Cn2nc(C)cc2C)c1 ZINC000011849913 175295256 /nfs/dbraw/zinc/29/52/56/175295256.db2.gz VTUMWVJWVLEIPQ-CQSZACIVSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccccc1-c1c[nH]c([C@H](C)N)n1 ZINC000036872265 175310206 /nfs/dbraw/zinc/31/02/06/175310206.db2.gz SZGDWXYBPODKLJ-QMMMGPOBSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccccc1CC[C@@H]1COC[C@H](C)N1 ZINC000071545504 175323222 /nfs/dbraw/zinc/32/32/22/175323222.db2.gz PTYIHTQDBBCHKQ-WCQYABFASA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccccc1CC[C@H]1COC[C@H](C)N1 ZINC000071545502 175325105 /nfs/dbraw/zinc/32/51/05/175325105.db2.gz PTYIHTQDBBCHKQ-AAEUAGOBSA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccccc1CN(C)[C@H]1CCC[C@@H]1O ZINC000042229858 175325967 /nfs/dbraw/zinc/32/59/67/175325967.db2.gz YRZGTTZBANNEMK-STQMWFEESA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000062622634 175329041 /nfs/dbraw/zinc/32/90/41/175329041.db2.gz KWIVNIFBPZJMAE-PBWFPOADSA-N 0 3 247.338 2.183 10 0 BEAEHN COc1ccccc1[C@@H](N)CN(C)CC1CC1 ZINC000037925474 175347226 /nfs/dbraw/zinc/34/72/26/175347226.db2.gz MARDTPMCVSUXBR-ZDUSSCGKSA-N 0 3 234.343 2.037 10 0 BEAEHN COc1ccccc1[C@@H](O)CN1CCC(C)CC1 ZINC000032104752 175347496 /nfs/dbraw/zinc/34/74/96/175347496.db2.gz NHWZREJTIFSZAJ-AWEZNQCLSA-N 0 3 249.354 2.461 10 0 BEAEHN COc1ccccc1[C@@H](N)Cc1nccs1 ZINC000036279103 175347872 /nfs/dbraw/zinc/34/78/72/175347872.db2.gz AUEGLMWIXWIWKT-JTQLQIEISA-N 0 3 234.324 2.394 10 0 BEAEHN COc1ccccc1[C@H](C)N[C@H](C)[C@@H](C)CO ZINC000131733969 175352253 /nfs/dbraw/zinc/35/22/53/175352253.db2.gz QSFCUCNEKRQPNN-TUAOUCFPSA-N 0 3 237.343 2.363 10 0 BEAEHN COc1ccccc1[C@H](N)C[C@H]1CCCO1 ZINC000037466772 175353478 /nfs/dbraw/zinc/35/34/78/175353478.db2.gz DYTYLICZXXAQEH-ZYHUDNBSSA-N 0 3 221.300 2.264 10 0 BEAEHN COc1ccccc1[C@H](N)Cc1nccs1 ZINC000036279100 175353835 /nfs/dbraw/zinc/35/38/35/175353835.db2.gz AUEGLMWIXWIWKT-SNVBAGLBSA-N 0 3 234.324 2.394 10 0 BEAEHN COc1ccccc1[C@H]1CNC(C)(C)CO1 ZINC000011803222 175355001 /nfs/dbraw/zinc/35/50/01/175355001.db2.gz DELZORBSUKCZJJ-GFCCVEGCSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1nc2sccn2c1CNC(C)(C)C ZINC000037184333 175397222 /nfs/dbraw/zinc/39/72/22/175397222.db2.gz KJPXKYNDYIITIS-UHFFFAOYSA-N 0 3 239.344 2.293 10 0 BEAEHN COc1ncccc1[C@H]1CCCCCN1 ZINC000006027181 175410910 /nfs/dbraw/zinc/41/09/10/175410910.db2.gz ZCFBPEPPNCGBKR-LLVKDONJSA-N 0 3 206.289 2.295 10 0 BEAEHN CSC(C)(C)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000128208090 175443316 /nfs/dbraw/zinc/44/33/16/175443316.db2.gz QTOVYYYYPCLKKQ-UHFFFAOYSA-N 0 3 240.372 2.327 10 0 BEAEHN CN[C@H](C)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000087287380 487631887 /nfs/dbraw/zinc/63/18/87/487631887.db2.gz CLSRTRMAFQHKCY-SNVBAGLBSA-N 0 3 226.364 2.022 10 0 BEAEHN C[C@@H](NC(=O)[C@](C)(N)C1CC1)c1cccs1 ZINC000037478989 175846705 /nfs/dbraw/zinc/84/67/05/175846705.db2.gz DFHLOJOCFURUNC-PRHODGIISA-N 0 3 238.356 2.053 10 0 BEAEHN C[C@@H](c1cccc(N)c1)N1CCN(C)C(C)(C)C1 ZINC000104136973 176018077 /nfs/dbraw/zinc/01/80/77/176018077.db2.gz IPDIIXLJKJMVNY-LBPRGKRZSA-N 0 3 247.386 2.356 10 0 BEAEHN C[C@@H](c1ccco1)N1CCCC[C@@H]1CO ZINC000095089115 176033313 /nfs/dbraw/zinc/03/33/13/176033313.db2.gz KNVFRZBZYOLLJH-WDEREUQCSA-N 0 3 209.289 2.187 10 0 BEAEHN C[C@@H](N)c1csc(N2CCC[C@@H](C)C2)n1 ZINC000070844447 176104512 /nfs/dbraw/zinc/10/45/12/176104512.db2.gz GBPIFIXGGIISBZ-RKDXNWHRSA-N 0 3 225.361 2.399 10 0 BEAEHN C[C@@H]1CCCN1[C@@H](CN)c1c(F)cccc1F ZINC000037910455 176109637 /nfs/dbraw/zinc/10/96/37/176109637.db2.gz XAKQWEOZCBGUIV-SKDRFNHKSA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@@H]1CCCN1[C@@H](CN)c1cccc(F)c1F ZINC000104247802 176109664 /nfs/dbraw/zinc/10/96/64/176109664.db2.gz WGSMHZYVZFTFJO-SKDRFNHKSA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@@H]1CCC[C@](NCc2ccccc2)(C(N)=O)C1 ZINC000037941236 176152001 /nfs/dbraw/zinc/15/20/01/176152001.db2.gz XGDBVUADWFMIDR-IUODEOHRSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@@H]1CCN(Cc2ccc(CN)o2)[C@H](C)C1 ZINC000052509985 176173895 /nfs/dbraw/zinc/17/38/95/176173895.db2.gz NQPKOEHWWUUCGV-GHMZBOCLSA-N 0 3 222.332 2.359 10 0 BEAEHN C[C@@H]1CC[C@H](CN2CCC(c3cc[nH]n3)CC2)O1 ZINC000188579650 176224229 /nfs/dbraw/zinc/22/42/29/176224229.db2.gz GMJQRLGZOMEXHW-DGCLKSJQSA-N 0 3 249.358 2.157 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCCCF ZINC000367211691 176323468 /nfs/dbraw/zinc/32/34/68/176323468.db2.gz MJRBMBDYQXSWDF-CHWSQXEVSA-N 0 3 228.355 2.295 10 0 BEAEHN C[C@@H]1CNC[C@@H](c2ccc(F)cc2F)O1 ZINC000036673238 176329054 /nfs/dbraw/zinc/32/90/54/176329054.db2.gz DZZBMQZTFQSKLM-HQJQHLMTSA-N 0 3 213.227 2.014 10 0 BEAEHN C[C@@H]1CNC[C@H](c2cccc(Cl)c2)O1 ZINC000032012622 176330237 /nfs/dbraw/zinc/33/02/37/176330237.db2.gz NEOAXIQXEJQMLV-LDYMZIIASA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1CSC[C@H]1N[C@@H]1COc2ccccc21 ZINC000287455437 176355835 /nfs/dbraw/zinc/35/58/35/176355835.db2.gz LPHCRFXGGHDMPO-YUSALJHKSA-N 0 3 235.352 2.461 10 0 BEAEHN C[C@@H]1C[C@@H]1CN[C@H]1COc2ccccc21 ZINC000336769546 176397419 /nfs/dbraw/zinc/39/74/19/176397419.db2.gz VSMOEONOHQICJE-FOGDFJRCSA-N 0 3 203.285 2.366 10 0 BEAEHN C[C@@H]1Cc2c(nc3ccccc3c2N)[C@]1(C)O ZINC000013766034 176449787 /nfs/dbraw/zinc/44/97/87/176449787.db2.gz LEKKTQIRJGFRFP-XLKFXECMSA-N 0 3 228.295 2.217 10 0 BEAEHN C[C@H](N)c1nc(-c2cccc(F)c2)c[nH]1 ZINC000036872356 176781268 /nfs/dbraw/zinc/78/12/68/176781268.db2.gz XAURDWDQMMXLHY-ZETCQYMHSA-N 0 3 205.236 2.236 10 0 BEAEHN C[C@H](c1cccs1)N1CCC[C@@H](O)C1 ZINC000095089038 177049020 /nfs/dbraw/zinc/04/90/20/177049020.db2.gz JEOARMHSRANYEO-NXEZZACHSA-N 0 3 211.330 2.266 10 0 BEAEHN C[C@H]1CCCCN1CCNCc1ccco1 ZINC000048326821 177074862 /nfs/dbraw/zinc/07/48/62/177074862.db2.gz CBSLLBUIYTZLIE-LBPRGKRZSA-N 0 3 222.332 2.244 10 0 BEAEHN C[C@H]1CCCC[C@H]1N(C)Cc1cc(CN)no1 ZINC000052546784 177087152 /nfs/dbraw/zinc/08/71/52/177087152.db2.gz PAPRFCMAHHTBNA-GXFFZTMASA-N 0 3 237.347 2.144 10 0 BEAEHN C[C@H]1CCCN[C@H]1C(=O)Nc1ccccc1 ZINC000051791924 177112508 /nfs/dbraw/zinc/11/25/08/177112508.db2.gz WOSWUXGBZWFEER-CMPLNLGQSA-N 0 3 218.300 2.013 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N(C)CC(C)(C)C)N1 ZINC000045089374 177112918 /nfs/dbraw/zinc/11/29/18/177112918.db2.gz RCPOBHHSQXJQLY-QWRGUYRKSA-N 0 3 226.364 2.022 10 0 BEAEHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H](C)N2)C1 ZINC000037256910 177113456 /nfs/dbraw/zinc/11/34/56/177113456.db2.gz VYJBZROZTXLCBY-VOAKCMCISA-N 0 3 238.375 2.212 10 0 BEAEHN C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000042494738 177120088 /nfs/dbraw/zinc/12/00/88/177120088.db2.gz JIURMQFUUAPAMH-QJPTWQEYSA-N 0 3 240.391 2.397 10 0 BEAEHN C[C@H]1CCC[C@@H](c2ncc(CN)cn2)C1 ZINC000054855305 177123444 /nfs/dbraw/zinc/12/34/44/177123444.db2.gz IRMNLMIQENOPMT-GXSJLCMTSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N2CCC(C)(C)CC2)N1 ZINC000061822071 177128894 /nfs/dbraw/zinc/12/88/94/177128894.db2.gz IFAHKTSEIMZUBT-NWDGAFQWSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)N1 ZINC000019431495 177129202 /nfs/dbraw/zinc/12/92/02/177129202.db2.gz AXBDMGYMFZZUTQ-JOYOIKCWSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@H]1CCC[C@H](C)N(CC(=O)NC(C)(C)C)C1 ZINC000125168106 177129946 /nfs/dbraw/zinc/12/99/46/177129946.db2.gz BRGVGINVVDYODH-RYUDHWBXSA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@H]1CCC[C@H](CCNCc2cnnn2C)C1 ZINC000122012205 177132627 /nfs/dbraw/zinc/13/26/27/177132627.db2.gz WHOPLSKYTZUGNQ-NWDGAFQWSA-N 0 3 236.363 2.121 10 0 BEAEHN C[C@H]1CCC[C@H](Oc2ccnc(CN)c2)C1 ZINC000051542235 177139359 /nfs/dbraw/zinc/13/93/59/177139359.db2.gz LNQBBWZJLDAFQM-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1C[C@@H](C)CCN1Cc1ccc(CN)o1 ZINC000052509987 177164182 /nfs/dbraw/zinc/16/41/82/177164182.db2.gz NQPKOEHWWUUCGV-WDEREUQCSA-N 0 3 222.332 2.359 10 0 BEAEHN C[C@@H]([C@H](N)c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000036879474 177274169 /nfs/dbraw/zinc/27/41/69/177274169.db2.gz XBQRGVITPWUCOB-XFMPKHEZSA-N 0 3 248.370 2.184 10 0 BEAEHN C[C@H]1CNc2ccc(Br)cc2CN1 ZINC000062620275 177287346 /nfs/dbraw/zinc/28/73/46/177287346.db2.gz WLVNAYLOTYBKJL-ZETCQYMHSA-N 0 3 241.132 2.353 10 0 BEAEHN C[C@H]1COC[C@@H](CCc2cccc(F)c2)N1 ZINC000071525005 177298895 /nfs/dbraw/zinc/29/88/95/177298895.db2.gz YJCLAYFHACVXAX-GXFFZTMASA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@H](NC1=N[C@@H](C)CS1)c1ccncc1 ZINC000035694040 177303494 /nfs/dbraw/zinc/30/34/94/177303494.db2.gz ICTQUUFKUWJGBW-IUCAKERBSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cnn(C(C)(C)C)c1 ZINC000052274753 177349760 /nfs/dbraw/zinc/34/97/60/177349760.db2.gz OAUUHIYPGBQYHF-ONGXEEELSA-N 0 3 207.321 2.136 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cncc(Br)c1 ZINC000160573996 177350286 /nfs/dbraw/zinc/35/02/86/177350286.db2.gz QPOJDJFRQPEENE-XVKPBYJWSA-N 0 3 241.132 2.342 10 0 BEAEHN C[C@H]1C[C@@H]1c1ccc([C@@H](CN)N2CCCC2)o1 ZINC000019260879 177351188 /nfs/dbraw/zinc/35/11/88/177351188.db2.gz DVIHAEYSQGMIII-SDDRHHMPSA-N 0 3 234.343 2.499 10 0 BEAEHN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2CCN(C)C2)o1 ZINC000042543987 177351196 /nfs/dbraw/zinc/35/11/96/177351196.db2.gz GGTYLLIEZDTAMZ-LOWVWBTDSA-N 0 3 234.343 2.197 10 0 BEAEHN C[C@H]1C[C@H]1CN(C)C(=O)Nc1cccc(CN)c1 ZINC000104416671 177378582 /nfs/dbraw/zinc/37/85/82/177378582.db2.gz AIIJLIARUHMICC-JQWIXIFHSA-N 0 3 247.342 2.265 10 0 BEAEHN C[C@H]1Cc2cc([C@@H](N)[C@@H]3CCCO3)ccc2O1 ZINC000037175966 177388678 /nfs/dbraw/zinc/38/86/78/177388678.db2.gz IPKOQYOWMUPEAF-QCZZGDTMSA-N 0 3 233.311 2.189 10 0 BEAEHN C[C@H]1Cc2cc([C@H](N)[C@@H]3CCCO3)ccc2O1 ZINC000037175962 177389130 /nfs/dbraw/zinc/38/91/30/177389130.db2.gz IPKOQYOWMUPEAF-HERUPUMHSA-N 0 3 233.311 2.189 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnc(C)n1C ZINC000568273314 322932872 /nfs/dbraw/zinc/93/28/72/322932872.db2.gz QSHGXNQSTBNIQQ-JQWIXIFHSA-N 0 3 207.321 2.007 10 0 BEAEHN Cc1nc([C@@H](C)NCC2CC(O)C2)c(C)s1 ZINC000084446391 322960658 /nfs/dbraw/zinc/96/06/58/322960658.db2.gz IPBTYFSKKZEBQS-CAZGOSDBSA-N 0 3 240.372 2.181 10 0 BEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)OC(C)(C)C ZINC000246953285 323011608 /nfs/dbraw/zinc/01/16/08/323011608.db2.gz DFGMFRKSFIJVLX-MNOVXSKESA-N 0 3 240.347 2.090 10 0 BEAEHN CCN1CCC[C@H](NC(=O)Nc2ccccc2)C1 ZINC000048769035 323154900 /nfs/dbraw/zinc/15/49/00/323154900.db2.gz KDGMEGSRTGYEIQ-ZDUSSCGKSA-N 0 3 247.342 2.292 10 0 BEAEHN CCO/[S-]=C/SC(C)(C)C(=O)[O-] ZINC000306122320 323169508 /nfs/dbraw/zinc/16/95/08/323169508.db2.gz SKNICFCGSBRUKE-UHFFFAOYSA-N 0 3 209.312 2.027 10 0 BEAEHN N[C@@H](CF)c1ccccc1Br ZINC000211414312 323195173 /nfs/dbraw/zinc/19/51/73/323195173.db2.gz HSWJPZQAKSROMN-QMMMGPOBSA-N 0 3 218.069 2.418 10 0 BEAEHN C[C@H]1CC[C@@H](O)CN1Cc1cccc(F)c1 ZINC000399300861 323202931 /nfs/dbraw/zinc/20/29/31/323202931.db2.gz XFNYFWNKFMWGNQ-GXFFZTMASA-N 0 3 223.291 2.171 10 0 BEAEHN Cn1cc([C@H]2NCC23CCCCC3)cn1 ZINC000389596936 323949748 /nfs/dbraw/zinc/94/97/48/323949748.db2.gz QEWBBXRRTJLAEG-LLVKDONJSA-N 0 3 205.305 2.015 10 0 BEAEHN OC1CC(CNCc2cc(Cl)ccc2F)C1 ZINC000162968227 324179693 /nfs/dbraw/zinc/17/96/93/324179693.db2.gz UDHFDUSNBOSIFU-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN C[C@@H](NCC1CC(O)C1)c1ccc(F)cc1F ZINC000091524752 325687312 /nfs/dbraw/zinc/68/73/12/325687312.db2.gz YZDCLFXIGNZUSV-FKTRJACZSA-N 0 3 241.281 2.386 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cnc2ccccc2n1 ZINC000052274185 488037133 /nfs/dbraw/zinc/03/71/33/488037133.db2.gz ZADJBNZBQUEWMS-TVQRCGJNSA-N 0 3 213.284 2.128 10 0 BEAEHN NCc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000667727183 488102741 /nfs/dbraw/zinc/10/27/41/488102741.db2.gz YSPDCRIXOLWVOK-AAEUAGOBSA-N 0 3 245.326 2.162 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(Cl)ccn1 ZINC000234022143 488128721 /nfs/dbraw/zinc/12/87/21/488128721.db2.gz CTBLZQWEDDZRML-OIBJUYFYSA-N 0 3 241.722 2.047 10 0 BEAEHN Cc1nc(C)c(CN2CCC[C@@H]2CCCO)o1 ZINC000685562424 487545304 /nfs/dbraw/zinc/54/53/04/487545304.db2.gz FFDSJYYBYXBGTI-GFCCVEGCSA-N 0 3 238.331 2.028 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1cccc(O)c1 ZINC000134056709 488165255 /nfs/dbraw/zinc/16/52/55/488165255.db2.gz MSNYANXPHBVKPX-OPQQBVKSSA-N 0 3 221.300 2.220 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000054073531 488205566 /nfs/dbraw/zinc/20/55/66/488205566.db2.gz YNNZCHADZHXWMJ-NKWVEPMBSA-N 0 3 246.763 2.187 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000036878719 488245315 /nfs/dbraw/zinc/24/53/15/488245315.db2.gz JYBKXQFXHNZGLT-LERXQTSPSA-N 0 3 246.354 2.164 10 0 BEAEHN c1ncc(CN2CCC[C@H]2C2CCC2)cn1 ZINC000127243225 490541883 /nfs/dbraw/zinc/54/18/83/490541883.db2.gz QOCZLBBPMTZDNY-ZDUSSCGKSA-N 0 3 217.316 2.241 10 0 BEAEHN CCNCc1cc(N2CCCCC2)ccn1 ZINC000051436100 535478503 /nfs/dbraw/zinc/47/85/03/535478503.db2.gz ZTDRALVLVFBLSM-UHFFFAOYSA-N 0 3 219.332 2.181 10 0 BEAEHN N[C@H]1c2cc(Cl)cc(Cl)c2CC[C@@H]1O ZINC000039941472 491110660 /nfs/dbraw/zinc/11/06/60/491110660.db2.gz IKXGQSRJGUAIKS-UWVGGRQHSA-N 0 3 232.110 2.300 10 0 BEAEHN CN(Cc1cncnc1)C(C1CC1)C1CC1 ZINC000123640965 491119942 /nfs/dbraw/zinc/11/99/42/491119942.db2.gz DOFVLMBRUBJMIH-UHFFFAOYSA-N 0 3 217.316 2.097 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1ccc(F)cn1 ZINC000133921382 491161037 /nfs/dbraw/zinc/16/10/37/491161037.db2.gz AMPFXKZQYQEAKI-WCQGTBRESA-N 0 3 238.306 2.175 10 0 BEAEHN CCN(CC)C(CC)(CC)C(=O)OC ZINC000095532562 520568078 /nfs/dbraw/zinc/56/80/78/520568078.db2.gz CFTDOHCRFZDLHH-UHFFFAOYSA-N 0 3 201.310 2.060 10 0 BEAEHN CNCc1sc([C@@H](O)C(C)(C)C)nc1C ZINC000757135058 582513586 /nfs/dbraw/zinc/51/35/86/582513586.db2.gz ZZIFWVNTSHUJBC-SECBINFHSA-N 0 3 228.361 2.250 10 0 BEAEHN CCOC(OCC)[C@H]1Cc2ccccc2CN1C ZINC000057354361 521632001 /nfs/dbraw/zinc/63/20/01/521632001.db2.gz CHYDJGVXJYNWNO-CQSZACIVSA-N 0 3 249.354 2.442 10 0 BEAEHN CCC[C@@H]1CCN[C@@]2(CCCSC2)O1 ZINC000757147657 582531383 /nfs/dbraw/zinc/53/13/83/582531383.db2.gz MNMKKRLHHCODJY-MNOVXSKESA-N 0 3 215.362 2.388 10 0 BEAEHN C[C@@H]1CC(CNCc2nccs2)C[C@@H](C)O1 ZINC000393742021 582921806 /nfs/dbraw/zinc/92/18/06/582921806.db2.gz FYXDCCKZCYBTAE-NXEZZACHSA-N 0 3 240.372 2.436 10 0 BEAEHN CC(C)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361491 535139757 /nfs/dbraw/zinc/13/97/57/535139757.db2.gz VBFKZBKDFGZFOU-STQMWFEESA-N 0 3 210.365 2.201 10 0 BEAEHN CCN(CC)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000079495189 535457428 /nfs/dbraw/zinc/45/74/28/535457428.db2.gz CXJCHRYGHDCLSC-GFCCVEGCSA-N 0 3 243.395 2.014 10 0 BEAEHN CC[C@@H](C)N1CCN(c2ccccc2N)CC1 ZINC000020265466 535565769 /nfs/dbraw/zinc/56/57/69/535565769.db2.gz GXLQHPJYBQVZGB-GFCCVEGCSA-N 0 3 233.359 2.189 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)C1CCCC1 ZINC000177025963 535583828 /nfs/dbraw/zinc/58/38/28/535583828.db2.gz CRNGUESONPTZAF-ZDUSSCGKSA-N 0 3 238.375 2.119 10 0 BEAEHN CN[C@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962736 536406819 /nfs/dbraw/zinc/40/68/19/536406819.db2.gz HGBBKBFUOYSIPJ-SNVBAGLBSA-N 0 3 234.347 2.056 10 0 BEAEHN COc1ccc(Cl)cc1N1CCNC[C@@H]1C ZINC000041284375 536567824 /nfs/dbraw/zinc/56/78/24/536567824.db2.gz YQQBANQZCDFQNP-VIFPVBQESA-N 0 3 240.734 2.147 10 0 BEAEHN COC1(CN2CCO[C@@H]3CCCC[C@H]32)CCC1 ZINC000336187005 536628270 /nfs/dbraw/zinc/62/82/70/536628270.db2.gz KQLRZAYCBRPOBX-CHWSQXEVSA-N 0 3 239.359 2.199 10 0 BEAEHN COc1ccc2cccc(N3CCNCC3)c2c1 ZINC000013530050 537041754 /nfs/dbraw/zinc/04/17/54/537041754.db2.gz XDYRIGIBUWJCMR-UHFFFAOYSA-N 0 3 242.322 2.258 10 0 BEAEHN CNCc1sc(C(=O)C(C)C)nc1C ZINC000757123728 582498188 /nfs/dbraw/zinc/49/81/88/582498188.db2.gz JNRJVZPJQWENDM-UHFFFAOYSA-N 0 3 212.318 2.010 10 0 BEAEHN FCC1(CF)CC2(C1)NCC[C@H](C(F)F)O2 ZINC000757139173 582519838 /nfs/dbraw/zinc/51/98/38/582519838.db2.gz GBXJNWCMMTTWAC-SSDOTTSWSA-N 0 3 241.228 2.046 10 0 BEAEHN CC(C)(C)[C@H]1CCO[C@@]2(COC(C)(C)C2)N1 ZINC000757141476 582521924 /nfs/dbraw/zinc/52/19/24/582521924.db2.gz PBRLTCCDXGICSJ-MFKMUULPSA-N 0 3 227.348 2.306 10 0 BEAEHN CC(C)[C@H]1O[C@@]2(CCSC2)NCC12CC2 ZINC000757145152 582527893 /nfs/dbraw/zinc/52/78/93/582527893.db2.gz OGJNRJRFXRVFDV-ZYHUDNBSSA-N 0 3 227.373 2.244 10 0 BEAEHN Cc1cc(COC2CNC2)ccc1Cl ZINC000757145455 582528134 /nfs/dbraw/zinc/52/81/34/582528134.db2.gz LQSATXPOLWQTNY-UHFFFAOYSA-N 0 3 211.692 2.137 10 0 BEAEHN CC1(C)CC2(C1)NCC[C@@H](C(F)F)O2 ZINC000757146071 582529444 /nfs/dbraw/zinc/52/94/44/582529444.db2.gz QDKIQHJDROVSQR-ZETCQYMHSA-N 0 3 205.248 2.146 10 0 BEAEHN CCCC1(CCC)N[C@H](COC)CCO1 ZINC000757151310 582535477 /nfs/dbraw/zinc/53/54/77/582535477.db2.gz SGYNCHXQMGFRHK-NSHDSACASA-N 0 3 215.337 2.308 10 0 BEAEHN Cc1cc(C[C@@H](F)CN)ccc1Cl ZINC000757155407 582539722 /nfs/dbraw/zinc/53/97/22/582539722.db2.gz AZJFZGGVYKFQKF-SECBINFHSA-N 0 3 201.672 2.488 10 0 BEAEHN CCO[C@@H](CN)c1cscc1Cl ZINC000757166131 582547982 /nfs/dbraw/zinc/54/79/82/582547982.db2.gz UNAWAQJAYOJUHH-QMMMGPOBSA-N 0 3 205.710 2.438 10 0 BEAEHN CCCC[C@]1(CC)NCCc2nc[nH]c21 ZINC000400486408 582579103 /nfs/dbraw/zinc/57/91/03/582579103.db2.gz ZDDDBVRIAPPGQZ-LBPRGKRZSA-N 0 3 207.321 2.351 10 0 BEAEHN CC(C)NC(=O)C[C@H](N)c1cccc(Cl)c1 ZINC000041284310 582685510 /nfs/dbraw/zinc/68/55/10/582685510.db2.gz ISCQFBXYTVAMCY-NSHDSACASA-N 0 3 240.734 2.255 10 0 BEAEHN CCN(CN1CCOC1=S)C1CCCCC1 ZINC000119552728 582770289 /nfs/dbraw/zinc/77/02/89/582770289.db2.gz QATDAZFCXFLRDN-UHFFFAOYSA-N 0 3 242.388 2.216 10 0 BEAEHN CC(C)(C)OC(=O)c1cccc2c1OCCNC2 ZINC000725260005 582804276 /nfs/dbraw/zinc/80/42/76/582804276.db2.gz LROSUWDHJOMPOK-UHFFFAOYSA-N 0 3 249.310 2.124 10 0 BEAEHN CN[C@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000125601344 582825568 /nfs/dbraw/zinc/82/55/68/582825568.db2.gz JELBHGMFANHFJT-SNVBAGLBSA-N 0 3 240.391 2.315 10 0 BEAEHN CSC1([C@H]2NCCc3ccoc32)CC1 ZINC000701384564 582916751 /nfs/dbraw/zinc/91/67/51/582916751.db2.gz GQCQHKDGJXFZMO-JTQLQIEISA-N 0 3 209.314 2.362 10 0 BEAEHN O=C1CCCN1CN1CCC[C@]2(CC=CCC2)C1 ZINC000114445500 588874511 /nfs/dbraw/zinc/87/45/11/588874511.db2.gz XGVSQDGLILXVKI-OAHLLOKOSA-N 0 3 248.370 2.389 10 0 BEAEHN CC(C)N1CC[C@@]2(C1)NCCc1sccc12 ZINC000397155379 583097666 /nfs/dbraw/zinc/09/76/66/583097666.db2.gz NKDANTHISUWJSX-ZDUSSCGKSA-N 0 3 236.384 2.203 10 0 BEAEHN c1cc2c(s1)CCN[C@H]2[C@@H]1CCCOC1 ZINC000397164753 583098238 /nfs/dbraw/zinc/09/82/38/583098238.db2.gz ZKRPAIFBXNTOKX-SKDRFNHKSA-N 0 3 223.341 2.362 10 0 BEAEHN CCCN1CC[C@@]2(C1)NCCc1sccc12 ZINC000397287726 583099590 /nfs/dbraw/zinc/09/95/90/583099590.db2.gz JYRNNNUZIPHPFA-ZDUSSCGKSA-N 0 3 236.384 2.205 10 0 BEAEHN c1cc(CNC2CCC2)n(C2CCC2)n1 ZINC000667555445 583925355 /nfs/dbraw/zinc/92/53/55/583925355.db2.gz YFBJIDPYXOXLFV-UHFFFAOYSA-N 0 3 205.305 2.250 10 0 BEAEHN CCCCCN(CN1CCOC1=S)C(C)C ZINC000116256263 588973990 /nfs/dbraw/zinc/97/39/90/588973990.db2.gz YMAVVJLQWVSTDX-UHFFFAOYSA-N 0 3 244.404 2.462 10 0 BEAEHN CCN(CC)c1ccnc(C2=CCOCC2)c1N ZINC000757567194 586306450 /nfs/dbraw/zinc/30/64/50/586306450.db2.gz NMJVGPZFDPSTAV-UHFFFAOYSA-N 0 3 247.342 2.314 10 0 BEAEHN CCCC1(CCC)N[C@@H](COC)CCO1 ZINC000757150788 586429001 /nfs/dbraw/zinc/42/90/01/586429001.db2.gz SGYNCHXQMGFRHK-LLVKDONJSA-N 0 3 215.337 2.308 10 0 BEAEHN Cc1ccc2n[nH]cc2c1-c1nccc(N)c1N ZINC000757564748 586461218 /nfs/dbraw/zinc/46/12/18/586461218.db2.gz CKNNIILOKUBVKL-UHFFFAOYSA-N 0 3 239.282 2.098 10 0 BEAEHN COc1ccccc1CCN(C)CCC(C)=O ZINC000104711135 588011027 /nfs/dbraw/zinc/01/10/27/588011027.db2.gz VRGKORJPBQFALQ-UHFFFAOYSA-N 0 3 235.327 2.149 10 0 BEAEHN Cc1cc(CNCC[C@H](C)[S@@](C)=O)c(C)o1 ZINC000122130319 589556813 /nfs/dbraw/zinc/55/68/13/589556813.db2.gz ZFAWIFNSNBSKJW-QFYYESIMSA-N 0 3 243.372 2.143 10 0 BEAEHN Cc1cc(N[C@H]2CCC(C)(C)C2)nc(N)n1 ZINC000122371669 589585142 /nfs/dbraw/zinc/58/51/42/589585142.db2.gz STKUJFSWZNXVHM-VIFPVBQESA-N 0 3 220.320 2.358 10 0 BEAEHN Cc1cc(CN[C@H]2CCO[C@H]2C)c(C)o1 ZINC000123716646 589776924 /nfs/dbraw/zinc/77/69/24/589776924.db2.gz CPLGLKZUHKNADP-JQWIXIFHSA-N 0 3 209.289 2.163 10 0 BEAEHN C[C@H](NCCc1ccccc1)C(=O)NC(C)(C)C ZINC000020312980 590097817 /nfs/dbraw/zinc/09/78/17/590097817.db2.gz IIURAUUVPURUEL-LBPRGKRZSA-N 0 3 248.370 2.122 10 0 BEAEHN COC(=O)C[C@H](N)c1c(C)cc(C)cc1C ZINC000020577608 590124942 /nfs/dbraw/zinc/12/49/42/590124942.db2.gz CWXWCWYPQMHAHS-NSHDSACASA-N 0 3 221.300 2.175 10 0 BEAEHN CC(C)[C@H](O)C(C)(C)CNCc1ccoc1 ZINC000126103019 590230483 /nfs/dbraw/zinc/23/04/83/590230483.db2.gz QYJLFGCTMIHODQ-LBPRGKRZSA-N 0 3 225.332 2.412 10 0 BEAEHN CCC1(O)CCC(NCc2ccoc2)CC1 ZINC000129155710 591260680 /nfs/dbraw/zinc/26/06/80/591260680.db2.gz NWDOQMLWLXKDGD-UHFFFAOYSA-N 0 3 223.316 2.453 10 0 BEAEHN CC[C@H](C)c1noc(-c2ccnc(CN)c2)n1 ZINC000129711205 591380358 /nfs/dbraw/zinc/38/03/58/591380358.db2.gz CLFQAPGJJLLOON-QMMMGPOBSA-N 0 3 232.287 2.104 10 0 BEAEHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CCC(C)=O ZINC000133434654 591792206 /nfs/dbraw/zinc/79/22/06/591792206.db2.gz IQMAZMXZEPTFDA-STQMWFEESA-N 0 3 241.375 2.491 10 0 BEAEHN Cc1ccc([C@H](C)NCC[S@](C)=O)cc1C ZINC000133808491 591860067 /nfs/dbraw/zinc/86/00/67/591860067.db2.gz MXQOPGZIIRXDGE-BLLLJJGKSA-N 0 3 239.384 2.333 10 0 BEAEHN C[C@H](NCC[S@](C)=O)c1cccc(Cl)c1 ZINC000133820557 591862135 /nfs/dbraw/zinc/86/21/35/591862135.db2.gz HUVOPEBUIBDSSJ-BJOHPYRUSA-N 0 3 245.775 2.369 10 0 BEAEHN CCCCCCNCc1c(C)nn(C)c1OC ZINC000134089168 591886356 /nfs/dbraw/zinc/88/63/56/591886356.db2.gz RARFRPUOEUMRSM-UHFFFAOYSA-N 0 3 239.363 2.407 10 0 BEAEHN COc1c(CNC2CCCCC2)c(C)nn1C ZINC000134093675 591886688 /nfs/dbraw/zinc/88/66/88/591886688.db2.gz BIRSEEZWAXVHGP-UHFFFAOYSA-N 0 3 237.347 2.159 10 0 BEAEHN O[C@H](CNCc1ccoc1)c1ccccc1F ZINC000134284674 591911761 /nfs/dbraw/zinc/91/17/61/591911761.db2.gz UDEKSIHRCNHHRY-CYBMUJFWSA-N 0 3 235.258 2.242 10 0 BEAEHN CC[C@]1(C)CN(CC2(O)CCCCC2)CCO1 ZINC000135605752 592025847 /nfs/dbraw/zinc/02/58/47/592025847.db2.gz APIRYSGZFPNVGJ-CYBMUJFWSA-N 0 3 241.375 2.183 10 0 BEAEHN NCc1ccc([C@H](O)c2cccs2)s1 ZINC000075468612 592313229 /nfs/dbraw/zinc/31/32/29/592313229.db2.gz JMPVNIPMSRUIQG-SNVBAGLBSA-N 0 3 225.338 2.350 10 0 BEAEHN FC1(F)CC[C@@H](c2noc([C@@H]3CCCN3)n2)C1 ZINC000302392739 592547495 /nfs/dbraw/zinc/54/74/95/592547495.db2.gz POTMBQVYXRLKIB-SFYZADRCSA-N 0 3 243.257 2.397 10 0 BEAEHN Cc1cc([C@H](C)N[C@@H](C)[C@@H](C)O)oc1C ZINC000336756638 635281999 /nfs/dbraw/zinc/28/19/99/635281999.db2.gz IWPFZAWNWGKLRB-LPEHRKFASA-N 0 3 211.305 2.316 10 0 BEAEHN CCc1cccc(F)c1CN[C@@H](C)[C@H](C)O ZINC000336765932 635286013 /nfs/dbraw/zinc/28/60/13/635286013.db2.gz OQAABOZPELNCQY-UWVGGRQHSA-N 0 3 225.307 2.247 10 0 BEAEHN CC1(C)C[C@@H]1c1noc(-c2ccnc(CN)c2)n1 ZINC000232889820 635521467 /nfs/dbraw/zinc/52/14/67/635521467.db2.gz FVFCEJQHGXOJRE-SNVBAGLBSA-N 0 3 244.298 2.104 10 0 BEAEHN COc1c(C)cnc(CN[C@H]2C[C@H]2C)c1C ZINC000052287942 632116936 /nfs/dbraw/zinc/11/69/36/632116936.db2.gz YZLPGSCLBHHFTJ-KCJUWKMLSA-N 0 3 220.316 2.205 10 0 BEAEHN CC[C@@H](NCc1nonc1C)C(C)(C)C ZINC000309166934 632657534 /nfs/dbraw/zinc/65/75/34/632657534.db2.gz JLSXNFHLSUCSCT-SNVBAGLBSA-N 0 3 211.309 2.292 10 0 BEAEHN CCC[C@H](N)C(=O)N1CCc2c(C)cccc2C1 ZINC000178115016 632946836 /nfs/dbraw/zinc/94/68/36/632946836.db2.gz DWFXFJMQJOLGKC-AWEZNQCLSA-N 0 3 246.354 2.007 10 0 BEAEHN CC(C)c1ncc(CN[C@H](C)[C@@H](C)O)s1 ZINC000336772866 635286798 /nfs/dbraw/zinc/28/67/98/635286798.db2.gz YKVZYOQFZGKTMB-RKDXNWHRSA-N 0 3 228.361 2.125 10 0 BEAEHN CC(C)c1nc(C2(N)CCCCC2)n(C)n1 ZINC000054697906 640305420 /nfs/dbraw/zinc/30/54/20/640305420.db2.gz WUBFJTPGNIQRTH-UHFFFAOYSA-N 0 3 222.336 2.057 10 0 BEAEHN c1ncc(CN[C@@H]2CCOc3ccccc32)[nH]1 ZINC000054764732 640404915 /nfs/dbraw/zinc/40/49/15/640404915.db2.gz JPLAFDGPCAAUMI-GFCCVEGCSA-N 0 3 229.283 2.023 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nc(C(C)(C)C)nn1C ZINC000054698701 640710929 /nfs/dbraw/zinc/71/09/29/640710929.db2.gz ABDNFRBMZPXXPK-DTWKUNHWSA-N 0 3 224.352 2.159 10 0 BEAEHN Cc1ccc([C@@H](C)NC[C@@H]2COC(C)(C)O2)o1 ZINC000230203209 641036196 /nfs/dbraw/zinc/03/61/96/641036196.db2.gz SDIQTTDHLSMAMX-GHMZBOCLSA-N 0 3 239.315 2.390 10 0 BEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000049185472 641712653 /nfs/dbraw/zinc/71/26/53/641712653.db2.gz DBPUTHNUUAAJSS-UWVGGRQHSA-N 0 3 240.372 2.361 10 0 BEAEHN CC1(C)C[C@H]1c1noc([C@H]2CCCN2)n1 ZINC000232865708 641885362 /nfs/dbraw/zinc/88/53/62/641885362.db2.gz DHGBQOLPJJFHDA-JGVFFNPUSA-N 0 3 207.277 2.008 10 0 BEAEHN CC(C)[C@H](C)NCc1nc(Br)c[nH]1 ZINC000308136797 642405192 /nfs/dbraw/zinc/40/51/92/642405192.db2.gz OVCZLQACRIXCRH-ZETCQYMHSA-N 0 3 246.152 2.306 10 0 BEAEHN CC[C@@H](C)C(=O)c1nc(C)c(CNC)s1 ZINC000757122009 643239561 /nfs/dbraw/zinc/23/95/61/643239561.db2.gz DEQCDTQKVRSVAV-SSDOTTSWSA-N 0 3 226.345 2.400 10 0 BEAEHN C[C@@H]1C[C@H](C)[C@](F)(C(=O)OC(C)(C)C)[C@@H](N)C1 ZINC000757182469 643357180 /nfs/dbraw/zinc/35/71/80/643357180.db2.gz JIIRQWJMCSLJOP-KEPMVKOISA-N 0 3 245.338 2.430 10 0 BEAEHN Cc1cc(N(C)C2CCC(C)CC2)nc(N)n1 ZINC000045724577 643559993 /nfs/dbraw/zinc/55/99/93/643559993.db2.gz UZTDQLIXBUUODK-UHFFFAOYSA-N 0 3 234.347 2.382 10 0 BEAEHN O[C@]12CCCC[C@@H]1CN(Cc1ccoc1)CC2 ZINC000093585962 644695806 /nfs/dbraw/zinc/69/58/06/644695806.db2.gz RNZQDLXWLBFAHO-KGLIPLIRSA-N 0 3 235.327 2.407 10 0 BEAEHN CCC/C=C\CN1CCC(CC(=O)NC)CC1 ZINC000096714143 644833188 /nfs/dbraw/zinc/83/31/88/644833188.db2.gz WQWIYQRWQWZCEG-WAYWQWQTSA-N 0 3 238.375 2.191 10 0 BEAEHN C[C@@H](NCCOC1CC1)c1cccc(O)c1 ZINC000711655645 712315179 /nfs/dbraw/zinc/31/51/79/712315179.db2.gz FMTGKZCDGHLNQE-SNVBAGLBSA-N 0 3 221.300 2.222 10 0 BEAEHN CCCCC[C@@H](C)NC(=O)[C@H](N)CCC ZINC000036873376 712506792 /nfs/dbraw/zinc/50/67/92/712506792.db2.gz CTTXLIRDCFOXEJ-GHMZBOCLSA-N 0 3 214.353 2.199 10 0 BEAEHN CC[C@@H](CN[C@H](C)c1cn(C)nn1)CC(F)F ZINC000720522813 712848744 /nfs/dbraw/zinc/84/87/44/712848744.db2.gz GPFGGWGYHOQCMJ-RKDXNWHRSA-N 0 3 246.305 2.147 10 0 BEAEHN CC[C@@H]1COC[C@H]1NCc1ncc(C)cc1C ZINC000724097954 711560548 /nfs/dbraw/zinc/56/05/48/711560548.db2.gz NMJMLJDVRWQTNY-TZMCWYRMSA-N 0 3 234.343 2.213 10 0 BEAEHN C[C@H](N[C@@H]1COc2ccccc21)[C@H]1CCCO1 ZINC000379765557 712398053 /nfs/dbraw/zinc/39/80/53/712398053.db2.gz IHNWKWIMOKRYGR-CYZMBNFOSA-N 0 3 233.311 2.277 10 0 BEAEHN C[C@@H](NCC1CC2(CCC2)C1)c1cn(C)nn1 ZINC000715935960 712544372 /nfs/dbraw/zinc/54/43/72/712544372.db2.gz AWBMZRVNGLMFQF-SNVBAGLBSA-N 0 3 234.347 2.046 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1cn(C)nn1 ZINC000720602213 712857499 /nfs/dbraw/zinc/85/74/99/712857499.db2.gz KKEDXONMLJJDPQ-UHTWSYAYSA-N 0 3 248.374 2.435 10 0 BEAEHN CC(C)Cn1nc(-c2cccnc2)cc1CN ZINC000409443951 958236090 /nfs/dbraw/zinc/23/60/90/958236090.db2.gz XGXYJWRHTMXRDB-UHFFFAOYSA-N 0 3 230.315 2.060 10 0 BEAEHN Cc1nc(CNC(C)(C)[C@@H](C)O)sc1C ZINC000128295092 964620788 /nfs/dbraw/zinc/62/07/88/964620788.db2.gz NQQMTJWVUVKPAR-SECBINFHSA-N 0 3 228.361 2.009 10 0 BEAEHN Cc1cc(CN)nc(C(Cl)(Cl)Cl)n1 ZINC000685959932 538907210 /nfs/dbraw/zinc/90/72/10/538907210.db2.gz VRZVTQGUIYGYHC-UHFFFAOYSA-N 0 3 240.521 2.070 10 0 BEAEHN C[C@@H](COCc1ccccc1)CC(=O)[C@H](C)N ZINC000685962723 538909774 /nfs/dbraw/zinc/90/97/74/538909774.db2.gz RKJNCTHFOIQXTG-NEPJUHHUSA-N 0 3 235.327 2.146 10 0 BEAEHN CCNCC(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962819 538909881 /nfs/dbraw/zinc/90/98/81/538909881.db2.gz WHRXGGMPUGRWQC-CYBMUJFWSA-N 0 3 249.354 2.408 10 0 BEAEHN C=C(OCC)c1cnccc1CNC1CC1 ZINC000685965100 538911357 /nfs/dbraw/zinc/91/13/57/538911357.db2.gz OVVAAZFQSGPABH-UHFFFAOYSA-N 0 3 218.300 2.341 10 0 BEAEHN C=C(OCC)c1ccc([C@H](C)NC)nc1 ZINC000685965095 538911537 /nfs/dbraw/zinc/91/15/37/538911537.db2.gz OTOKRPBAHPSIOX-VIFPVBQESA-N 0 3 206.289 2.369 10 0 BEAEHN CNC[C@@H](F)Cc1ccccc1Cl ZINC000257871027 349487169 /nfs/dbraw/zinc/48/71/69/349487169.db2.gz QLIBSSNHGHWHCE-VIFPVBQESA-N 0 3 201.672 2.440 10 0 BEAEHN COCc1ccc(CN[C@@H](C)[C@H]2CCCO2)o1 ZINC000125428198 398151136 /nfs/dbraw/zinc/15/11/36/398151136.db2.gz FBJBZWBMGYOEAL-GXFFZTMASA-N 0 3 239.315 2.083 10 0 BEAEHN COCc1ccc(CN[C@H](C)[C@H]2CCCO2)o1 ZINC000125428427 398151557 /nfs/dbraw/zinc/15/15/57/398151557.db2.gz FBJBZWBMGYOEAL-ZWNOBZJWSA-N 0 3 239.315 2.083 10 0 BEAEHN Cc1cc(CN2C[C@H]3CCCCN3C[C@H]2C)on1 ZINC000227704193 178007812 /nfs/dbraw/zinc/00/78/12/178007812.db2.gz ZUDUXFXBBWLIJM-CHWSQXEVSA-N 0 3 249.358 2.042 10 0 BEAEHN Cc1cc(CNC[C@@H](C)O)ccc1OC(C)C ZINC000098126316 178022052 /nfs/dbraw/zinc/02/20/52/178022052.db2.gz YVZYESDSROFNCA-GFCCVEGCSA-N 0 3 237.343 2.253 10 0 BEAEHN Cc1cc2ccccc2nc1N1CCN[C@@H](C)C1 ZINC000063105511 349505583 /nfs/dbraw/zinc/50/55/83/349505583.db2.gz WXXIWBPPNAMDRR-LBPRGKRZSA-N 0 3 241.338 2.341 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1snnc1C ZINC000379657525 398156248 /nfs/dbraw/zinc/15/62/48/398156248.db2.gz MNHKERVLNGBVCS-BDAKNGLRSA-N 0 3 211.334 2.125 10 0 BEAEHN Cc1cc(CN[C@H]2CCC[C@@H]2C)nc(C)n1 ZINC000309738699 178040624 /nfs/dbraw/zinc/04/06/24/178040624.db2.gz CXQHMQYJSPQRDS-ZANVPECISA-N 0 3 219.332 2.372 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1snnc1C ZINC000379657526 398160893 /nfs/dbraw/zinc/16/08/93/398160893.db2.gz MNHKERVLNGBVCS-DTWKUNHWSA-N 0 3 211.334 2.125 10 0 BEAEHN Cc1cc(Cn2cncn2)oc1CNC(C)(C)C ZINC000052575301 178074098 /nfs/dbraw/zinc/07/40/98/178074098.db2.gz GCDUKGZYCONBRN-UHFFFAOYSA-N 0 3 248.330 2.116 10 0 BEAEHN Cc1cc(F)ccc1N[C@H]1CCN(C)C1 ZINC000061984674 178090442 /nfs/dbraw/zinc/09/04/42/178090442.db2.gz GOICFBFRLWURIG-NSHDSACASA-N 0 3 208.280 2.250 10 0 BEAEHN CC[C@@H](NC[C@H]1CCCN1C)c1nccs1 ZINC000386271743 398204417 /nfs/dbraw/zinc/20/44/17/398204417.db2.gz ZUZNXYYQDJKHEM-GHMZBOCLSA-N 0 3 239.388 2.278 10 0 BEAEHN CC[C@H](N[C@@H](C)c1ccc(C)c(F)c1)C(N)=O ZINC000094955290 398207228 /nfs/dbraw/zinc/20/72/28/398207228.db2.gz WNGPGORGVYWFCO-CABZTGNLSA-N 0 3 238.306 2.049 10 0 BEAEHN NCc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC000075139296 398217090 /nfs/dbraw/zinc/21/70/90/398217090.db2.gz IJEVPBVWGABJNM-UHFFFAOYSA-N 0 3 215.178 2.040 10 0 BEAEHN F[C@H](c1ccsn1)[C@H]1CCCCN1 ZINC000306605458 398221976 /nfs/dbraw/zinc/22/19/76/398221976.db2.gz PVGGNFIWQSXEKD-APPZFPTMSA-N 0 3 200.282 2.296 10 0 BEAEHN Cc1cc(NN)nc(C2CCCCC2)n1 ZINC000051152290 178177728 /nfs/dbraw/zinc/17/77/28/178177728.db2.gz HOKQOUZHEPCPEV-UHFFFAOYSA-N 0 3 206.293 2.118 10 0 BEAEHN Cc1cc([C@@H](C)N[C@H](C)C(C)C)nn1C ZINC000282176979 178232728 /nfs/dbraw/zinc/23/27/28/178232728.db2.gz MODHEAJYIRLDBN-GHMZBOCLSA-N 0 3 209.337 2.424 10 0 BEAEHN Cc1cc([C@@H](N)c2cccnc2)c(C)o1 ZINC000043611437 178237423 /nfs/dbraw/zinc/23/74/23/178237423.db2.gz AOXZPTSTACUJGN-LBPRGKRZSA-N 0 3 202.257 2.340 10 0 BEAEHN C[C@@H](N)c1csc(CC(F)(F)F)n1 ZINC000070840012 361781876 /nfs/dbraw/zinc/78/18/76/361781876.db2.gz VMROLCVUHCITTM-SCSAIBSYSA-N 0 3 210.224 2.268 10 0 BEAEHN Cc1cc([C@@H]2CNC(C)(C)CO2)c(C)o1 ZINC000036672990 178243339 /nfs/dbraw/zinc/24/33/39/178243339.db2.gz BDXUUEYNMFIACK-NSHDSACASA-N 0 3 209.289 2.336 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2NCC(C)(C)C ZINC000165537211 538936035 /nfs/dbraw/zinc/93/60/35/538936035.db2.gz CZFJUBLEDGIHNI-JTQLQIEISA-N 0 3 222.336 2.057 10 0 BEAEHN Cc1cc([C@H](CO)NC2CC2)c(C)s1 ZINC000049688087 178261491 /nfs/dbraw/zinc/26/14/91/178261491.db2.gz VUWALXLEMQEITQ-NSHDSACASA-N 0 3 211.330 2.150 10 0 BEAEHN Cc1ccc(-c2c[nH]c(CNC(C)C)n2)o1 ZINC000037477453 178317824 /nfs/dbraw/zinc/31/78/24/178317824.db2.gz RPJLIASUNLLQDY-UHFFFAOYSA-N 0 3 219.288 2.476 10 0 BEAEHN Cc1ccc(-c2cc(CN)[nH]n2)c(C)c1 ZINC000050478900 178319984 /nfs/dbraw/zinc/31/99/84/178319984.db2.gz BLMOBOBUALJDFH-UHFFFAOYSA-N 0 3 201.273 2.152 10 0 BEAEHN CCC(CC)N(C)CC(=O)Nc1cccc(N)c1 ZINC000036788474 168367283 /nfs/dbraw/zinc/36/72/83/168367283.db2.gz CNEBWMUNOUCFST-UHFFFAOYSA-N 0 3 249.358 2.328 10 0 BEAEHN CCC(CC)N(CCO)[C@H]1CCCCCC1=O ZINC000042499916 168374052 /nfs/dbraw/zinc/37/40/52/168374052.db2.gz RGTZXPMNAGMKBD-ZDUSSCGKSA-N 0 3 241.375 2.371 10 0 BEAEHN Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000170863194 178397418 /nfs/dbraw/zinc/39/74/18/178397418.db2.gz GFWWBFTUURSTQJ-ZDUSSCGKSA-N 0 3 246.354 2.080 10 0 BEAEHN CN1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616613066 349605551 /nfs/dbraw/zinc/60/55/51/349605551.db2.gz KOQIEQCTNFSGQK-SNVBAGLBSA-N 0 3 213.284 2.049 10 0 BEAEHN C[C@@H](NCC[C@H]1CCCO1)c1ccco1 ZINC000038095481 538964892 /nfs/dbraw/zinc/96/48/92/538964892.db2.gz PVSPACSMLYIPEY-GHMZBOCLSA-N 0 3 209.289 2.499 10 0 BEAEHN CCN1CCC(c2[nH]nc3c2CCCCN3)CC1 ZINC000003698310 342736555 /nfs/dbraw/zinc/73/65/55/342736555.db2.gz PVSZDJBAZLLFKI-UHFFFAOYSA-N 0 3 248.374 2.357 10 0 BEAEHN Cc1nc(N(C)C(C)C)sc1[C@H](C)N ZINC000054864356 398284115 /nfs/dbraw/zinc/28/41/15/398284115.db2.gz XGOWKKGYOAGYEF-ZETCQYMHSA-N 0 3 213.350 2.316 10 0 BEAEHN COc1ccc2c(c1)CC[C@]1(CCCCN1)C2=O ZINC000146586121 342770063 /nfs/dbraw/zinc/77/00/63/342770063.db2.gz GBSSQDLOVJWBJA-OAHLLOKOSA-N 0 3 245.322 2.336 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)CNC(C)C ZINC000040419229 538971364 /nfs/dbraw/zinc/97/13/64/538971364.db2.gz CNUSRGVLIYCNQK-LBPRGKRZSA-N 0 3 234.343 2.170 10 0 BEAEHN CO[C@@H](CN)c1ccccc1Br ZINC000043094022 342792355 /nfs/dbraw/zinc/79/23/55/342792355.db2.gz VOIPGILBMJYRJP-VIFPVBQESA-N 0 3 230.105 2.095 10 0 BEAEHN CCN1CCN(C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255221 342795181 /nfs/dbraw/zinc/79/51/81/342795181.db2.gz CGDOSHBKKLEQKC-NWDGAFQWSA-N 0 3 246.345 2.448 10 0 BEAEHN CC1(C)CN([C@@H]2CCOC2)CC2(CCCC2)O1 ZINC000336437654 342805887 /nfs/dbraw/zinc/80/58/87/342805887.db2.gz RWXDKTREKOYLFN-GFCCVEGCSA-N 0 3 239.359 2.199 10 0 BEAEHN Cc1cccc([C@@H](O)CN(C)C2CC2)c1 ZINC000044129529 538986440 /nfs/dbraw/zinc/98/64/40/538986440.db2.gz KILKTGYNWFXKOG-ZDUSSCGKSA-N 0 3 205.301 2.123 10 0 BEAEHN CCN1C[C@@H](C)[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000381466789 539001386 /nfs/dbraw/zinc/00/13/86/539001386.db2.gz MTOCUOPYIYLJQA-KOLCDFICSA-N 0 3 239.750 2.487 10 0 BEAEHN CCN1C[C@H](N[C@@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739424 539006466 /nfs/dbraw/zinc/00/64/66/539006466.db2.gz ORCCGOZKFQTYCP-SRVKXCTJSA-N 0 3 222.332 2.270 10 0 BEAEHN N[C@]1(c2sccc2Cl)CCCOC1 ZINC000229927367 342855663 /nfs/dbraw/zinc/85/56/63/342855663.db2.gz FRQMQQPJTTUGFM-SECBINFHSA-N 0 3 217.721 2.366 10 0 BEAEHN C[C@@H]1C[C@@H]1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000167341233 136245668 /nfs/dbraw/zinc/24/56/68/136245668.db2.gz AYGWJNLOXCBQPV-RQJABVFESA-N 0 3 222.376 2.201 10 0 BEAEHN c1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCCOC1 ZINC000103956729 398323466 /nfs/dbraw/zinc/32/34/66/398323466.db2.gz BVZOEXXOFAHLHQ-YPMHNXCESA-N 0 3 233.311 2.279 10 0 BEAEHN C[C@H](N)c1cnc(-c2ccccn2)s1 ZINC000011760737 398338160 /nfs/dbraw/zinc/33/81/60/398338160.db2.gz KUKAKSPTAZEROC-ZETCQYMHSA-N 0 3 205.286 2.225 10 0 BEAEHN Fc1ccccc1CNCC[C@@H]1CCCO1 ZINC000037988680 398335498 /nfs/dbraw/zinc/33/54/98/398335498.db2.gz NGVZJOLKZGMXCX-LBPRGKRZSA-N 0 3 223.291 2.484 10 0 BEAEHN CCOc1ccccc1CNCCc1c[nH]cn1 ZINC000045946254 343013102 /nfs/dbraw/zinc/01/31/02/343013102.db2.gz VSVWINIBTLRPMH-UHFFFAOYSA-N 0 3 245.326 2.141 10 0 BEAEHN Nc1ccc2nc(N3CCCCC3)[nH]c2c1 ZINC000032500371 187229962 /nfs/dbraw/zinc/22/99/62/187229962.db2.gz NKAPXWIFLZNFAE-UHFFFAOYSA-N 0 3 216.288 2.135 10 0 BEAEHN N[C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000072198903 343069097 /nfs/dbraw/zinc/06/90/97/343069097.db2.gz REUIRPFEEJVRNN-QMMMGPOBSA-N 0 3 239.624 2.351 10 0 BEAEHN CC(C)Oc1ccc2ncc(N)c(N)c2c1 ZINC000584881890 343079752 /nfs/dbraw/zinc/07/97/52/343079752.db2.gz GWVKUAZHTJHIGF-UHFFFAOYSA-N 0 3 217.272 2.017 10 0 BEAEHN CC(C)(C)OC(=O)c1ccc2c(c1)CNCCO2 ZINC000584881661 343082755 /nfs/dbraw/zinc/08/27/55/343082755.db2.gz ZLFCBJAHNVJJOH-UHFFFAOYSA-N 0 3 249.310 2.124 10 0 BEAEHN CC(C)(C)OC(=O)c1ccc2c(c1)CNCC2 ZINC000126111077 343075616 /nfs/dbraw/zinc/07/56/16/343075616.db2.gz ZRUSJQIEIXQIRV-UHFFFAOYSA-N 0 3 233.311 2.288 10 0 BEAEHN CC(C)[C@@H](O)CCN[C@H](C)c1ccccn1 ZINC000127545289 187233258 /nfs/dbraw/zinc/23/32/58/187233258.db2.gz VWLMFORMOTUGEP-YPMHNXCESA-N 0 3 222.332 2.139 10 0 BEAEHN Nc1cccc(NCC=C(Cl)Cl)n1 ZINC000407422471 343144958 /nfs/dbraw/zinc/14/49/58/343144958.db2.gz ZZRYGDZSLMKVCX-UHFFFAOYSA-N 0 3 218.087 2.225 10 0 BEAEHN Cc1ccc(C)c([C@@](O)(CN)C(F)(F)F)c1 ZINC000062784535 178500191 /nfs/dbraw/zinc/50/01/91/178500191.db2.gz BPFCLEVACOBHHA-JTQLQIEISA-N 0 3 233.233 2.012 10 0 BEAEHN COc1ccc2c(c1)O[C@H](C1CC1)C[C@H]2N ZINC000130806150 343182354 /nfs/dbraw/zinc/18/23/54/343182354.db2.gz LIAKNAIBMWJCBB-NEPJUHHUSA-N 0 3 219.284 2.256 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000126047040 343168341 /nfs/dbraw/zinc/16/83/41/343168341.db2.gz XXHPHVYFYKGZCC-TUAOUCFPSA-N 0 3 226.364 2.055 10 0 BEAEHN CO[C@@H]1CC[C@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC000245719122 136272425 /nfs/dbraw/zinc/27/24/25/136272425.db2.gz DDVHQPVYZRFYQN-HZSPNIEDSA-N 0 3 239.359 2.197 10 0 BEAEHN C[C@@H](CCNC1COC1)c1ccccc1 ZINC000082488684 136276626 /nfs/dbraw/zinc/27/66/26/136276626.db2.gz GFPXOHPDHDYZAR-NSHDSACASA-N 0 3 205.301 2.169 10 0 BEAEHN C[C@@H](NCC1(CCO)CC1)c1ccoc1 ZINC000133146881 343189683 /nfs/dbraw/zinc/18/96/83/343189683.db2.gz RBCADYRCSBUVSZ-SNVBAGLBSA-N 0 3 209.289 2.093 10 0 BEAEHN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1cccs1 ZINC000035138581 343286258 /nfs/dbraw/zinc/28/62/58/343286258.db2.gz VPZZWQRHJIPXLS-BDAKNGLRSA-N 0 3 238.356 2.066 10 0 BEAEHN CC(C)c1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1 ZINC000035138481 343286394 /nfs/dbraw/zinc/28/63/94/343286394.db2.gz SMQLVNPHQHVTMH-QWRGUYRKSA-N 0 3 234.343 2.334 10 0 BEAEHN CC(C)[C@@H](N)c1nncn1C1CCCCC1 ZINC000019477101 187252542 /nfs/dbraw/zinc/25/25/42/187252542.db2.gz ZHPBQMARZSSISN-LLVKDONJSA-N 0 3 222.336 2.439 10 0 BEAEHN COC(=O)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000036803977 343324100 /nfs/dbraw/zinc/32/41/00/343324100.db2.gz SVNHTXYQINJLML-QMMMGPOBSA-N 0 3 243.253 2.179 10 0 BEAEHN N[C@@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000036949517 343328274 /nfs/dbraw/zinc/32/82/74/343328274.db2.gz DRGRSSFCCDTWRF-AWEZNQCLSA-N 0 3 213.280 2.346 10 0 BEAEHN CCc1[nH]c(=O)c2ccccc2c1CN(C)C ZINC000039102940 343384479 /nfs/dbraw/zinc/38/44/79/343384479.db2.gz DOKFFQBBXTWYCG-UHFFFAOYSA-N 0 3 230.311 2.152 10 0 BEAEHN N[C@@H]1c2cc(C(F)(F)F)ccc2CCC[C@H]1O ZINC000039941543 343393900 /nfs/dbraw/zinc/39/39/00/343393900.db2.gz TXQOOWJKBQMOQK-GHMZBOCLSA-N 0 3 245.244 2.402 10 0 BEAEHN N[C@H](CCO)c1c(F)ccc(Cl)c1F ZINC000044233439 343495960 /nfs/dbraw/zinc/49/59/60/343495960.db2.gz RELYCYOALAIZJR-SSDOTTSWSA-N 0 3 221.634 2.000 10 0 BEAEHN C1=Cc2cc3cc4c(cc3cc2=N1)SCN=4 ZINC000045236128 343526216 /nfs/dbraw/zinc/52/62/16/343526216.db2.gz YAPBWEYBYUSXLU-UHFFFAOYSA-N 0 3 224.288 2.127 10 0 BEAEHN CNc1cccc([C@@H]2CN(C(C)(C)C)CCN2)c1 ZINC000616632481 343527783 /nfs/dbraw/zinc/52/77/83/343527783.db2.gz JUOWZMDUTPRLRB-AWEZNQCLSA-N 0 3 247.386 2.473 10 0 BEAEHN CN1CCN=C1SCc1cccs1 ZINC000039109241 187263466 /nfs/dbraw/zinc/26/34/66/187263466.db2.gz LWSQGBLXMPXPBB-UHFFFAOYSA-N 0 3 212.343 2.283 10 0 BEAEHN CC(C)N1CCCOC[C@@H]1c1ccccn1 ZINC000616645274 343530643 /nfs/dbraw/zinc/53/06/43/343530643.db2.gz IZRXJRJBVLXCQO-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)N1CCOC[C@@H](c2ccccc2CO)C1 ZINC000616659025 343532536 /nfs/dbraw/zinc/53/25/36/343532536.db2.gz BGCFWFJYBCVJLJ-AWEZNQCLSA-N 0 3 249.354 2.003 10 0 BEAEHN CCc1ccc2c(CN(C)C)c[nH]c2n1 ZINC000045806096 343534538 /nfs/dbraw/zinc/53/45/38/343534538.db2.gz GUHVWEHQCSJGGA-UHFFFAOYSA-N 0 3 203.289 2.187 10 0 BEAEHN CCC(CC)Nc1cccnc1N1CCNCC1 ZINC000166729451 343571703 /nfs/dbraw/zinc/57/17/03/343571703.db2.gz MTIWBYZFJWTSKE-UHFFFAOYSA-N 0 3 248.374 2.092 10 0 BEAEHN Cc1ccc(CN)c(OC2CCCC2)n1 ZINC000043396104 178561366 /nfs/dbraw/zinc/56/13/66/178561366.db2.gz YCIVQACAIXDKPO-UHFFFAOYSA-N 0 3 206.289 2.170 10 0 BEAEHN COC(=O)C[C@](C)(N)c1ccc(Cl)cc1 ZINC000086851218 343631099 /nfs/dbraw/zinc/63/10/99/343631099.db2.gz VWMKAMWFGCFHCX-NSHDSACASA-N 0 3 227.691 2.077 10 0 BEAEHN CC(=O)CCCCN(C)CCc1ccncc1 ZINC000048260590 187269469 /nfs/dbraw/zinc/26/94/69/187269469.db2.gz CYPZKBISEKUCET-UHFFFAOYSA-N 0 3 234.343 2.315 10 0 BEAEHN Cc1nn(C)c(C)c1-c1ncc([C@H](C)N)s1 ZINC000054160527 187271894 /nfs/dbraw/zinc/27/18/94/187271894.db2.gz MMDHWSNLZBHSOL-LURJTMIESA-N 0 3 236.344 2.180 10 0 BEAEHN C[C@H](CO)CN(C)Cc1ccc(Cl)cc1 ZINC000128383230 346981066 /nfs/dbraw/zinc/98/10/66/346981066.db2.gz JQGULXLRORLSKV-JTQLQIEISA-N 0 3 227.735 2.400 10 0 BEAEHN CSCC[C@H](N)c1ncc2ccccn21 ZINC000409442154 343857190 /nfs/dbraw/zinc/85/71/90/343857190.db2.gz TVLHQTAVMVXUMZ-JTQLQIEISA-N 0 3 221.329 2.087 10 0 BEAEHN CCn1nc(-c2ccccc2)cc1CNC ZINC000409442926 343865058 /nfs/dbraw/zinc/86/50/58/343865058.db2.gz DIQRXUIZPNFQPW-UHFFFAOYSA-N 0 3 215.300 2.289 10 0 BEAEHN CNCc1cc(C(F)(F)F)nn1C(F)F ZINC000409443043 343865419 /nfs/dbraw/zinc/86/54/19/343865419.db2.gz FXGGQQOMJQCRDC-UHFFFAOYSA-N 0 3 229.152 2.016 10 0 BEAEHN NCc1cc(-c2ccsc2)nn1CCF ZINC000409443294 343866563 /nfs/dbraw/zinc/86/65/63/343866563.db2.gz KQEUQCYBJORXIB-UHFFFAOYSA-N 0 3 225.292 2.040 10 0 BEAEHN CNCc1cc(Br)ccc1N(C)C ZINC000234428490 343965938 /nfs/dbraw/zinc/96/59/38/343965938.db2.gz AJGPMGFKALFUNL-UHFFFAOYSA-N 0 3 243.148 2.235 10 0 BEAEHN CC[C@@H]1CCC[C@H]1NCc1nccn1C ZINC000130525071 344222360 /nfs/dbraw/zinc/22/23/60/344222360.db2.gz WCDCWTGAHWPVAY-GHMZBOCLSA-N 0 3 207.321 2.088 10 0 BEAEHN CC[C@H]1CCC[C@H]1NCc1nccn1C ZINC000130525298 344222468 /nfs/dbraw/zinc/22/24/68/344222468.db2.gz WCDCWTGAHWPVAY-WDEREUQCSA-N 0 3 207.321 2.088 10 0 BEAEHN Cc1ccccc1NC(=O)O[C@@H]1CCN(C)C1 ZINC000002010161 362373576 /nfs/dbraw/zinc/37/35/76/362373576.db2.gz DTAAMVZDTXCCDV-LLVKDONJSA-N 0 3 234.299 2.248 10 0 BEAEHN NC[C@H](F)Cc1nc2ccccc2s1 ZINC000158057652 344330816 /nfs/dbraw/zinc/33/08/16/344330816.db2.gz IQGXZCZRZZLDGM-SSDOTTSWSA-N 0 3 210.277 2.136 10 0 BEAEHN C[C@@H]1C[C@H](C)CN1CC(=O)C1CCCC1 ZINC000158061429 344333838 /nfs/dbraw/zinc/33/38/38/344333838.db2.gz GTBXIQCGTYUWDQ-WDEREUQCSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@H]1C[C@@H](N)c2nc(C(F)(F)F)ccc2N1 ZINC000218061654 344434192 /nfs/dbraw/zinc/43/41/92/344434192.db2.gz OMBQLJBDANDAIU-NTSWFWBYSA-N 0 3 231.221 2.304 10 0 BEAEHN COC[C@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000300094514 344388790 /nfs/dbraw/zinc/38/87/90/344388790.db2.gz WRWNIMNTIZGVHG-QLFBSQMISA-N 0 3 249.354 2.267 10 0 BEAEHN CC(C)[C@@H](N)c1nnc(C2CCCC2)[nH]1 ZINC000041058813 187291005 /nfs/dbraw/zinc/29/10/05/187291005.db2.gz YZDMXZPYHQGZJN-SECBINFHSA-N 0 3 208.309 2.118 10 0 BEAEHN CC(C)[C@@H](N)c1n[nH]c(C2CCCC2)n1 ZINC000041058813 187291006 /nfs/dbraw/zinc/29/10/06/187291006.db2.gz YZDMXZPYHQGZJN-SECBINFHSA-N 0 3 208.309 2.118 10 0 BEAEHN FC1(F)Oc2cccc([C@@H]3CCN3)c2O1 ZINC000044257957 344537069 /nfs/dbraw/zinc/53/70/69/344537069.db2.gz IJMBNYPHMRKFTA-ZETCQYMHSA-N 0 3 213.183 2.043 10 0 BEAEHN Fc1ccc(F)c([C@]2(F)CCNC2)c1 ZINC000158184438 344561307 /nfs/dbraw/zinc/56/13/07/344561307.db2.gz MATXFBAEOQTDFJ-JTQLQIEISA-N 0 3 201.191 2.123 10 0 BEAEHN C[C@](F)(CN)Cc1cc(F)ccc1F ZINC000158231858 344569791 /nfs/dbraw/zinc/56/97/91/344569791.db2.gz PIXORBAHICTHMX-SNVBAGLBSA-N 0 3 203.207 2.194 10 0 BEAEHN COc1ccc(CN(C)CCC(C)=O)cc1C ZINC000103145459 187291803 /nfs/dbraw/zinc/29/18/03/187291803.db2.gz VGEGCVJUOLFULX-UHFFFAOYSA-N 0 3 235.327 2.415 10 0 BEAEHN CC(C)C[C@@H](C)[C@@H]1NCCc2nc[nH]c21 ZINC000400408733 537853579 /nfs/dbraw/zinc/85/35/79/537853579.db2.gz ROMPDCYJOYENHL-KOLCDFICSA-N 0 3 207.321 2.279 10 0 BEAEHN CC(C)(C)[C@@](F)(CN)C1CCOCC1 ZINC000158366851 344611274 /nfs/dbraw/zinc/61/12/74/344611274.db2.gz RAQVYKIXIUPCNI-LLVKDONJSA-N 0 3 203.301 2.126 10 0 BEAEHN CC[C@@H]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000117342854 344744605 /nfs/dbraw/zinc/74/46/05/344744605.db2.gz DDOKLDXIMQMXQS-GFCCVEGCSA-N 0 3 240.391 2.413 10 0 BEAEHN CC(C)[C@H](O)CCN[C@H](C)c1ccccn1 ZINC000127545057 192075377 /nfs/dbraw/zinc/07/53/77/192075377.db2.gz VWLMFORMOTUGEP-DGCLKSJQSA-N 0 3 222.332 2.139 10 0 BEAEHN C[C@@H]1CCC[C@@H]([C@H]2NCCc3nc[nH]c32)C1 ZINC000400389285 537855703 /nfs/dbraw/zinc/85/57/03/537855703.db2.gz JURBAHRKGDTISC-CKYFFXLPSA-N 0 3 219.332 2.423 10 0 BEAEHN CNc1ncc(CNC2CC2)cc1Cl ZINC000166289301 344842670 /nfs/dbraw/zinc/84/26/70/344842670.db2.gz CMFXBQROYLWNPJ-UHFFFAOYSA-N 0 3 211.696 2.029 10 0 BEAEHN C[C@@H]1CNC[C@@H](c2csc(Cl)c2)O1 ZINC000235337535 344887299 /nfs/dbraw/zinc/88/72/99/344887299.db2.gz DNKSKKOOUVBFHE-SVRRBLITSA-N 0 3 217.721 2.451 10 0 BEAEHN C[C@H](CNCc1ccccc1)n1cccn1 ZINC000235452489 344916795 /nfs/dbraw/zinc/91/67/95/344916795.db2.gz XWTXDMZTLQVUKJ-GFCCVEGCSA-N 0 3 215.300 2.234 10 0 BEAEHN Cc1cc2[nH]c(N)nc2cc1Br ZINC000145009088 344983204 /nfs/dbraw/zinc/98/32/04/344983204.db2.gz WKHREOPKVCHIMR-UHFFFAOYSA-N 0 3 226.077 2.216 10 0 BEAEHN Cc1cc2nc(N)[nH]c2cc1Br ZINC000145009088 344983207 /nfs/dbraw/zinc/98/32/07/344983207.db2.gz WKHREOPKVCHIMR-UHFFFAOYSA-N 0 3 226.077 2.216 10 0 BEAEHN C[C@@H](CO)N(C)Cc1ccnc2ccccc12 ZINC000123151651 344987828 /nfs/dbraw/zinc/98/78/28/344987828.db2.gz DNKZHQDYDMPMOZ-NSHDSACASA-N 0 3 230.311 2.047 10 0 BEAEHN Cc1ccc(F)c([C@H](N)CCO)c1Cl ZINC000044233450 344988895 /nfs/dbraw/zinc/98/88/95/344988895.db2.gz IJZGAGRGKAALGD-MRVPVSSYSA-N 0 3 217.671 2.170 10 0 BEAEHN N[C@H](COc1ccccc1)c1ccc[nH]1 ZINC000011848759 345031269 /nfs/dbraw/zinc/03/12/69/345031269.db2.gz YFHCNOQOUMLYIC-LLVKDONJSA-N 0 3 202.257 2.094 10 0 BEAEHN COC[C@@H](N)c1c(F)ccc(F)c1Cl ZINC000238375418 345033383 /nfs/dbraw/zinc/03/33/83/345033383.db2.gz HPYUYGRGUHFGRH-SSDOTTSWSA-N 0 3 221.634 2.264 10 0 BEAEHN CC1(C)C[C@H](N)c2ccc3c(c2O1)OCCO3 ZINC000011848983 345034293 /nfs/dbraw/zinc/03/42/93/345034293.db2.gz ASVARAWDKRCXPQ-VIFPVBQESA-N 0 3 235.283 2.019 10 0 BEAEHN C[C@@H](N)c1ncccc1NC(=O)OC(C)(C)C ZINC000238380842 345036455 /nfs/dbraw/zinc/03/64/55/345036455.db2.gz LBHVZPGKBCQRMV-MRVPVSSYSA-N 0 3 237.303 2.448 10 0 BEAEHN NC1(c2ncc(Cl)cc2Br)CC1 ZINC000238570426 345080526 /nfs/dbraw/zinc/08/05/26/345080526.db2.gz YMJALDFWYZPPGF-UHFFFAOYSA-N 0 3 247.523 2.445 10 0 BEAEHN Cc1cc(C(C)(C)N)ncc1Br ZINC000238491742 345059529 /nfs/dbraw/zinc/05/95/29/345059529.db2.gz OZJSXQHVXDHTRK-UHFFFAOYSA-N 0 3 229.121 2.346 10 0 BEAEHN C[C@H](N)C(=O)Nc1cccc(Cl)c1Cl ZINC000011958159 345089604 /nfs/dbraw/zinc/08/96/04/345089604.db2.gz CXPJIRQABJDDGX-YFKPBYRVSA-N 0 3 233.098 2.279 10 0 BEAEHN NCc1cc(Cl)nc(OC(F)(F)F)c1 ZINC000238657717 345103236 /nfs/dbraw/zinc/10/32/36/345103236.db2.gz RQVDTFIYEZRGPC-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN NCc1ccc(Cl)nc1OC(F)(F)F ZINC000238680275 345108611 /nfs/dbraw/zinc/10/86/11/345108611.db2.gz MZHORQSQMSVVDC-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN OC[C@@H]1C[C@H]1NCc1ccc(C(F)F)cc1 ZINC000378675652 345452744 /nfs/dbraw/zinc/45/27/44/345452744.db2.gz OSFYBXQOJRILEI-WDEREUQCSA-N 0 3 227.254 2.095 10 0 BEAEHN CCCCN(CC)C(=O)[C@@]1(C)CCCCN1 ZINC000159555653 345440880 /nfs/dbraw/zinc/44/08/80/345440880.db2.gz IDLMHXMUGXOHTQ-CYBMUJFWSA-N 0 3 226.364 2.167 10 0 BEAEHN Cc1cc(Cl)cc(CN[C@@H]2C[C@H]2CO)c1 ZINC000378719291 345495345 /nfs/dbraw/zinc/49/53/45/345495345.db2.gz DZEFHMPGIPKZTO-CMPLNLGQSA-N 0 3 225.719 2.119 10 0 BEAEHN C[C@@H]1c2ccccc2C[C@H]1N1CCOCC1 ZINC000213188591 345481426 /nfs/dbraw/zinc/48/14/26/345481426.db2.gz KPJZLIJJCUHHGC-BXUZGUMPSA-N 0 3 217.312 2.047 10 0 BEAEHN Cc1ccc([C@@H]2CN[C@H](C)CO2)c(C)c1 ZINC000036673490 178875121 /nfs/dbraw/zinc/87/51/21/178875121.db2.gz NZZFYIPRVQXBJD-YPMHNXCESA-N 0 3 205.301 2.353 10 0 BEAEHN Cc1nc(N)cc(N[C@H]2CC[C@H](C)CC2)n1 ZINC000253135474 345616562 /nfs/dbraw/zinc/61/65/62/345616562.db2.gz RFWFJIAXCXFULW-CZMCAQCFSA-N 0 3 220.320 2.358 10 0 BEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1O ZINC000253290316 345641819 /nfs/dbraw/zinc/64/18/19/345641819.db2.gz PQRVAWUIQXVUHR-TZMCWYRMSA-N 0 3 237.318 2.419 10 0 BEAEHN CNC[C@H](F)Cc1ccccc1Cl ZINC000257871024 345778230 /nfs/dbraw/zinc/77/82/30/345778230.db2.gz QLIBSSNHGHWHCE-SECBINFHSA-N 0 3 201.672 2.440 10 0 BEAEHN C[C@H]1CN(C)CCCN1c1nc(Cl)cs1 ZINC000235702068 345782784 /nfs/dbraw/zinc/78/27/84/345782784.db2.gz OWZRPCLGLGFLIX-QMMMGPOBSA-N 0 3 245.779 2.327 10 0 BEAEHN C[C@H]1CCc2nc([C@@H]3CCCCN3)cn2C1 ZINC000258487927 345784287 /nfs/dbraw/zinc/78/42/87/345784287.db2.gz QUCSTXBJJMZJDV-QWRGUYRKSA-N 0 3 219.332 2.280 10 0 BEAEHN C[C@](F)(CN)Cc1c(F)cccc1F ZINC000166780363 345786862 /nfs/dbraw/zinc/78/68/62/345786862.db2.gz RWRMHHYSAMVMDD-SNVBAGLBSA-N 0 3 203.207 2.194 10 0 BEAEHN Cc1ccc([C@](C)(NCC2CC2)C(N)=O)c(C)c1 ZINC000037952109 178926156 /nfs/dbraw/zinc/92/61/56/178926156.db2.gz BIWPMUCMDKSEKS-HNNXBMFYSA-N 0 3 246.354 2.004 10 0 BEAEHN Cc1cc(OCCN(C)C)nc2ccccc12 ZINC000137738372 345850135 /nfs/dbraw/zinc/85/01/35/345850135.db2.gz YSANHXOVTCXEBH-UHFFFAOYSA-N 0 3 230.311 2.484 10 0 BEAEHN CCN1CC=C(c2c[nH]c3ccc(N)nc32)CC1 ZINC000034564806 345832160 /nfs/dbraw/zinc/83/21/60/345832160.db2.gz ANJMITTWHAIIIU-UHFFFAOYSA-N 0 3 242.326 2.254 10 0 BEAEHN Cc1ncc(CN[C@H](CC(C)C)CN(C)C)o1 ZINC000628213313 345873012 /nfs/dbraw/zinc/87/30/12/345873012.db2.gz GHYFEYLLDNILQT-GFCCVEGCSA-N 0 3 239.363 2.049 10 0 BEAEHN CC[C@H](C)Nc1cc(N)nc(C2CC2)n1 ZINC000087908933 345939987 /nfs/dbraw/zinc/93/99/87/345939987.db2.gz DBVPVXBSBLIVKP-ZETCQYMHSA-N 0 3 206.293 2.147 10 0 BEAEHN CNc1cc(N2CCCCCC2)nc(C)n1 ZINC000087806030 345940988 /nfs/dbraw/zinc/94/09/88/345940988.db2.gz KZNKWINNDPPRFE-UHFFFAOYSA-N 0 3 220.320 2.207 10 0 BEAEHN CNc1cc(N2CCC(C)CC2)nc(C)n1 ZINC000087805673 345941231 /nfs/dbraw/zinc/94/12/31/345941231.db2.gz AYKBAYRMGFXRTD-UHFFFAOYSA-N 0 3 220.320 2.063 10 0 BEAEHN CNc1cc(N2CCCC[C@@H]2C)nc(C)n1 ZINC000087805868 345941266 /nfs/dbraw/zinc/94/12/66/345941266.db2.gz ZKVMCOWSXGSFJV-VIFPVBQESA-N 0 3 220.320 2.206 10 0 BEAEHN [O-]c1ccc([C@@H]2CC[NH2+]C2)cc1Br ZINC000096877765 187362336 /nfs/dbraw/zinc/36/23/36/187362336.db2.gz UOEKEQJODWOJLN-MRVPVSSYSA-N 0 3 242.116 2.232 10 0 BEAEHN CC1(C)C[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000333318859 187365070 /nfs/dbraw/zinc/36/50/70/187365070.db2.gz MRBQLTMLWOCSRF-GFCCVEGCSA-N 0 3 245.326 2.210 10 0 BEAEHN Cc1ccc(-c2ccc(F)o2)c(CN)n1 ZINC000669372741 537950197 /nfs/dbraw/zinc/95/01/97/537950197.db2.gz YIJPCBKEXFXNHH-UHFFFAOYSA-N 0 3 206.220 2.248 10 0 BEAEHN C[C@@H]1CC[C@H](C)[C@H](n2cnc(CN)c2)C1 ZINC000669375221 537953028 /nfs/dbraw/zinc/95/30/28/537953028.db2.gz VOABZTQMTFYKNN-JFGNBEQYSA-N 0 3 207.321 2.339 10 0 BEAEHN Cc1cccc(-c2ocnc2CN)c1C ZINC000082639117 179000602 /nfs/dbraw/zinc/00/06/02/179000602.db2.gz FRAMAILWRIREBF-UHFFFAOYSA-N 0 3 202.257 2.417 10 0 BEAEHN CC[C@@H](NCc1nccn1CC)C(C)C ZINC000051924133 346209734 /nfs/dbraw/zinc/20/97/34/346209734.db2.gz QSVQZZWQMBFCRE-LLVKDONJSA-N 0 3 209.337 2.427 10 0 BEAEHN C[C@H]1CCCN(CC(=O)C2CCCC2)C1 ZINC000158169294 346390973 /nfs/dbraw/zinc/39/09/73/346390973.db2.gz MFWDHYIZFWCFQE-NSHDSACASA-N 0 3 209.333 2.478 10 0 BEAEHN CC[C@](O)(CN(C)C(C)C)C(F)(F)F ZINC000669379719 537981101 /nfs/dbraw/zinc/98/11/01/537981101.db2.gz KQHVYLXRGOIXFX-QMMMGPOBSA-N 0 3 213.243 2.030 10 0 BEAEHN Cc1noc(CCNCc2cccc(C)c2)n1 ZINC000105470258 179092289 /nfs/dbraw/zinc/09/22/89/179092289.db2.gz DIVKHBBURFWOQX-UHFFFAOYSA-N 0 3 231.299 2.019 10 0 BEAEHN C[C@](F)(CN)Cc1ccc(Br)cn1 ZINC000161977081 346504616 /nfs/dbraw/zinc/50/46/16/346504616.db2.gz FISABJNHUVBCDH-SECBINFHSA-N 0 3 247.111 2.074 10 0 BEAEHN OCc1csc(CNC2CCCCC2)n1 ZINC000669379711 537982022 /nfs/dbraw/zinc/98/20/22/537982022.db2.gz KISCJQRXUHJWGB-UHFFFAOYSA-N 0 3 226.345 2.058 10 0 BEAEHN CC(=O)c1ccc2[nH]cc(CN(C)C)c2c1 ZINC000002003144 346494393 /nfs/dbraw/zinc/49/43/93/346494393.db2.gz RGHWOYZPLAFYJX-UHFFFAOYSA-N 0 3 216.284 2.432 10 0 BEAEHN COC1CCC2(CC1)NCC[C@H](C)S2 ZINC000164327837 346601347 /nfs/dbraw/zinc/60/13/47/346601347.db2.gz QOHBTBUNSZFEDQ-WHXUTIOJSA-N 0 3 215.362 2.387 10 0 BEAEHN Cc1cccc(NC(=O)[C@H](N)C(C)(C)C)c1 ZINC000077488085 179140109 /nfs/dbraw/zinc/14/01/09/179140109.db2.gz GTBPNNKUJBANRZ-NSHDSACASA-N 0 3 220.316 2.307 10 0 BEAEHN C[C@@H](NCc1n[nH]c2ccccc21)[C@H]1CCCO1 ZINC000589641340 346722303 /nfs/dbraw/zinc/72/23/03/346722303.db2.gz NKSYFBKULBVPBK-QMTHXVAHSA-N 0 3 245.326 2.220 10 0 BEAEHN C[C@@H](NCc1[nH]nc2ccccc21)[C@H]1CCCO1 ZINC000589641340 346722306 /nfs/dbraw/zinc/72/23/06/346722306.db2.gz NKSYFBKULBVPBK-QMTHXVAHSA-N 0 3 245.326 2.220 10 0 BEAEHN CCC(CC)[C@H]1NCCc2ncn(C)c21 ZINC000725242532 537986767 /nfs/dbraw/zinc/98/67/67/537986767.db2.gz CKGSGTKILWNUBR-LLVKDONJSA-N 0 3 207.321 2.043 10 0 BEAEHN Cc1cccc(OCCN2CCC[C@H](O)[C@@H]2C)c1 ZINC000295093507 179167025 /nfs/dbraw/zinc/16/70/25/179167025.db2.gz AHARWPSWWKWASW-ZFWWWQNUSA-N 0 3 249.354 2.219 10 0 BEAEHN CC[C@@H](C)[C@H](C)NCc1nnc(C(C)C)n1C ZINC000183054737 347117433 /nfs/dbraw/zinc/11/74/33/347117433.db2.gz OUPKIYNUZZPZLC-MNOVXSKESA-N 0 3 238.379 2.463 10 0 BEAEHN CCC(C)(C)[C@H]1NCCc2ncn(C)c21 ZINC000725242560 537986931 /nfs/dbraw/zinc/98/69/31/537986931.db2.gz GAWOQLSATUJGKS-NSHDSACASA-N 0 3 207.321 2.043 10 0 BEAEHN CCCN[C@H](C)c1cn(Cc2ccccc2)nn1 ZINC000309813682 347171516 /nfs/dbraw/zinc/17/15/16/347171516.db2.gz NKAAYOQEHSMLLF-GFCCVEGCSA-N 0 3 244.342 2.387 10 0 BEAEHN Cc1cccc([C@H](CN)N2C[C@H](C)OC[C@@H]2C)c1 ZINC000035783318 179198290 /nfs/dbraw/zinc/19/82/90/179198290.db2.gz PAJCLHPDUGJBPI-YDHLFZDLSA-N 0 3 248.370 2.104 10 0 BEAEHN CCCCC[C@@]1(C)NCCc2ncn(C)c21 ZINC000725242836 537989370 /nfs/dbraw/zinc/98/93/70/537989370.db2.gz XKMVULVRJWLYKK-CYBMUJFWSA-N 0 3 221.348 2.361 10 0 BEAEHN Cc1cccc2c(N3CC[C@@H](CO)C3)ccnc12 ZINC000301675502 179211123 /nfs/dbraw/zinc/21/11/23/179211123.db2.gz PRVDIBSBQHELSX-GFCCVEGCSA-N 0 3 242.322 2.362 10 0 BEAEHN Cc1c(Cl)nc(C(C)C)nc1NN(C)C ZINC000149614389 347372970 /nfs/dbraw/zinc/37/29/70/347372970.db2.gz YSKOUXUSISZEBN-UHFFFAOYSA-N 0 3 228.727 2.450 10 0 BEAEHN CC(C)N1CCC([S@@](=N)(=O)C(C)C)CC1 ZINC000616568188 347444417 /nfs/dbraw/zinc/44/44/17/347444417.db2.gz FUQSNFQXNVYIFL-HNNXBMFYSA-N 0 3 232.393 2.314 10 0 BEAEHN CCC[C@@H]1N[C@H](C)CC[S@](=O)[C@@H]1CC ZINC000251173313 362842396 /nfs/dbraw/zinc/84/23/96/362842396.db2.gz QCGOZGXXPYFGFN-DEKYYXRVSA-N 0 3 217.378 2.064 10 0 BEAEHN Cc1ccccc1CC[C@@H]1COC[C@H](C)N1 ZINC000071521364 179267151 /nfs/dbraw/zinc/26/71/51/179267151.db2.gz IXPXNBFHSMTLQG-GXTWGEPZSA-N 0 3 219.328 2.305 10 0 BEAEHN Cc1ccccc1[C@@H]1CN(C2CC2)CCN1 ZINC000056894860 179329995 /nfs/dbraw/zinc/32/99/95/179329995.db2.gz MMXKCDKDRSLJLT-AWEZNQCLSA-N 0 3 216.328 2.104 10 0 BEAEHN COc1ccc(C)cc1CN[C@@H]1CCC[C@H](O)C1 ZINC000037166118 348024687 /nfs/dbraw/zinc/02/46/87/348024687.db2.gz XTZCDDHMCCCFKA-KGLIPLIRSA-N 0 3 249.354 2.397 10 0 BEAEHN Cc1ccccc1[C@](C)(N)c1cncnc1 ZINC000052887663 179350397 /nfs/dbraw/zinc/35/03/97/179350397.db2.gz OCYXRIKHCBNCKN-CYBMUJFWSA-N 0 3 213.284 2.007 10 0 BEAEHN CCc1nc(CNCCCOC)sc1CC ZINC000669382423 537999214 /nfs/dbraw/zinc/99/92/14/537999214.db2.gz LFQVTVFSUDLAOX-UHFFFAOYSA-N 0 3 242.388 2.394 10 0 BEAEHN OCCN1CC[C@H](c2cncc3ccccc32)C1 ZINC000616613569 349983280 /nfs/dbraw/zinc/98/32/80/349983280.db2.gz LTXYKAYGJWSUJN-ZDUSSCGKSA-N 0 3 242.322 2.016 10 0 BEAEHN CC[C@@H](C)c1nc([C@H]2CCC[NH2+]2)cc(=O)[n-]1 ZINC000669382892 538005122 /nfs/dbraw/zinc/00/51/22/538005122.db2.gz NHHYARQSCFKOAX-RKDXNWHRSA-N 0 3 221.304 2.120 10 0 BEAEHN Cc1ccnc(S[C@@H](CN)c2ccco2)n1 ZINC000051331490 179465007 /nfs/dbraw/zinc/46/50/07/179465007.db2.gz FLEYGJJCZFKODW-JTQLQIEISA-N 0 3 235.312 2.170 10 0 BEAEHN CCCN1C[C@@]2(C[C@H]2N)c2cc(C)ccc21 ZINC000725246943 538009291 /nfs/dbraw/zinc/00/92/91/538009291.db2.gz BJWJKNXVHFYOCV-KGLIPLIRSA-N 0 3 216.328 2.194 10 0 BEAEHN CN(Cc1cccs1)[C@@H]1CCC[C@@H]1O ZINC000037489584 348622533 /nfs/dbraw/zinc/62/25/33/348622533.db2.gz XHDOPRAORYBGNS-MNOVXSKESA-N 0 3 211.330 2.093 10 0 BEAEHN N[C@H]1C[C@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247690 538014093 /nfs/dbraw/zinc/01/40/93/538014093.db2.gz USPJSFCLUODZPH-VHSXEESVSA-N 0 3 228.217 2.100 10 0 BEAEHN COc1ccc(C)c2c(CN)nccc12 ZINC000521402199 323201281 /nfs/dbraw/zinc/20/12/81/323201281.db2.gz XLHNLAIPGHFHHZ-UHFFFAOYSA-N 0 3 202.257 2.011 10 0 BEAEHN Cc1ccc(Cl)c2c1[C@]1(C[C@H]1N)CN2 ZINC000725247604 538014619 /nfs/dbraw/zinc/01/46/19/538014619.db2.gz RVHRZLXDSIDEQA-LDYMZIIASA-N 0 3 208.692 2.043 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000054075302 348878059 /nfs/dbraw/zinc/87/80/59/348878059.db2.gz AVDAUUFKIPBFHK-TZMCWYRMSA-N 0 3 246.354 2.266 10 0 BEAEHN FCC[C@@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000308881622 349017578 /nfs/dbraw/zinc/01/75/78/349017578.db2.gz QNCJLYODXVEFJF-GXSJLCMTSA-N 0 3 211.284 2.028 10 0 BEAEHN NCc1c(C2CC2)cc(C2CC2)[nH]c1=O ZINC000616574743 349081134 /nfs/dbraw/zinc/08/11/34/349081134.db2.gz XDBPQGIZEPPDEV-UHFFFAOYSA-N 0 3 204.273 2.001 10 0 BEAEHN Cc1cc(C(F)F)nc([C@@H]2CCCN2)n1 ZINC000616577090 349106031 /nfs/dbraw/zinc/10/60/31/349106031.db2.gz IHWHPYQNCDJIRQ-ZETCQYMHSA-N 0 3 213.231 2.147 10 0 BEAEHN CC[C@H](C)c1nc2c(n1C)[C@@H](N)CCC2 ZINC000725253378 538037800 /nfs/dbraw/zinc/03/78/00/538037800.db2.gz JRVUMDZGUVFQLS-IUCAKERBSA-N 0 3 207.321 2.270 10 0 BEAEHN C[C@@H](c1ccncc1)N1CCN2CCCC[C@H]2C1 ZINC000251266746 538042219 /nfs/dbraw/zinc/04/22/19/538042219.db2.gz MVMIQTZTLIYTRI-ZFWWWQNUSA-N 0 3 245.370 2.313 10 0 BEAEHN Cc1nc(CNCC(C)C)c2n1CCCC2 ZINC000309668717 179968317 /nfs/dbraw/zinc/96/83/17/179968317.db2.gz IVOYIZJWUYTKTK-UHFFFAOYSA-N 0 3 221.348 2.273 10 0 BEAEHN C[C@@H]1CCCN(Cc2csc(CN)n2)[C@H]1C ZINC000251557341 538047718 /nfs/dbraw/zinc/04/77/18/538047718.db2.gz AEEQRUVKWMIWGF-ZJUUUORDSA-N 0 3 239.388 2.222 10 0 BEAEHN Cc1nc(N2CCCCC2)sc1[C@@H](C)N ZINC000040543789 180000530 /nfs/dbraw/zinc/00/05/30/180000530.db2.gz UODSFEHHQUMWGQ-MRVPVSSYSA-N 0 3 225.361 2.462 10 0 BEAEHN Cc1nc([C@@H]2CCCN2)nc2c1CCCC2 ZINC000082536272 180040912 /nfs/dbraw/zinc/04/09/12/180040912.db2.gz YPSYUPFRXSLRDT-LBPRGKRZSA-N 0 3 217.316 2.088 10 0 BEAEHN CCc1ccc(CNCC[C@@H](C)[S@@](C)=O)o1 ZINC000132574427 191033949 /nfs/dbraw/zinc/03/39/49/191033949.db2.gz GKZPVOWZSOTYOO-HWPZZCPQSA-N 0 3 243.372 2.089 10 0 BEAEHN Cc1nc2ccc(NCc3ncc[nH]3)cc2[nH]1 ZINC000049715400 180083556 /nfs/dbraw/zinc/08/35/56/180083556.db2.gz UQSBRTMZGXQKPQ-UHFFFAOYSA-N 0 3 227.271 2.207 10 0 BEAEHN OCCC1(CNCc2ccccc2F)CC1 ZINC000133051590 191036806 /nfs/dbraw/zinc/03/68/06/191036806.db2.gz SVUUDCGSHGYMOH-UHFFFAOYSA-N 0 3 223.291 2.078 10 0 BEAEHN Cc1ncc(CN[C@@H]2CCCC[C@@H]2CO)s1 ZINC000152331030 180157138 /nfs/dbraw/zinc/15/71/38/180157138.db2.gz FLVOIHYEGWSQFE-ZYHUDNBSSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1nccc(CN[C@H](C)CC(C)C)n1 ZINC000038037371 180191270 /nfs/dbraw/zinc/19/12/70/180191270.db2.gz SUWFMMWDQSALDQ-SNVBAGLBSA-N 0 3 207.321 2.309 10 0 BEAEHN Cc1nccc(N[C@@H](CC(C)C)CN(C)C)n1 ZINC000054936290 180202829 /nfs/dbraw/zinc/20/28/29/180202829.db2.gz MQQGMSTWIOLTIP-LBPRGKRZSA-N 0 3 236.363 2.173 10 0 BEAEHN Cc1nc(CN)cc(C2CCCCC2)n1 ZINC000074188593 350238424 /nfs/dbraw/zinc/23/84/24/350238424.db2.gz HJJRSJVPDHVSAM-UHFFFAOYSA-N 0 3 205.305 2.291 10 0 BEAEHN Cc1nccnc1[C@@H](C)NC[C@H]1CCCCO1 ZINC000219114311 180282225 /nfs/dbraw/zinc/28/22/25/180282225.db2.gz KNOXSZSTUALYKZ-VXGBXAGGSA-N 0 3 235.331 2.005 10 0 BEAEHN Cc1nn(C)c(C)c1CCCNCc1ccco1 ZINC000062808293 180336043 /nfs/dbraw/zinc/33/60/43/180336043.db2.gz VXXVKDOSYDTGOH-UHFFFAOYSA-N 0 3 247.342 2.352 10 0 BEAEHN Cc1nn(C)c(C)c1CNCCc1ccsc1 ZINC000042249151 180340471 /nfs/dbraw/zinc/34/04/71/180340471.db2.gz FKTQTOMKJJVGNO-UHFFFAOYSA-N 0 3 249.383 2.431 10 0 BEAEHN CCNc1nc(NN)c(Cl)cc1Cl ZINC000226648976 350445239 /nfs/dbraw/zinc/44/52/39/350445239.db2.gz TURNVSHCTRPLEB-UHFFFAOYSA-N 0 3 221.091 2.106 10 0 BEAEHN CCOP(=O)(OCC)[C@](C)(N)CC ZINC000034129883 350463688 /nfs/dbraw/zinc/46/36/88/350463688.db2.gz IWOZRWIRMMVBED-QMMMGPOBSA-N 0 3 209.226 2.337 10 0 BEAEHN NCc1cc(CCC2CCCCC2)ncn1 ZINC000409436570 350479432 /nfs/dbraw/zinc/47/94/32/350479432.db2.gz JPSUQKRWTYIQHR-UHFFFAOYSA-N 0 3 219.332 2.448 10 0 BEAEHN Cc1cncc([C@@H](N)c2cccs2)c1 ZINC000227952419 350520598 /nfs/dbraw/zinc/52/05/98/350520598.db2.gz DKVUKWYBRYFLNI-LLVKDONJSA-N 0 3 204.298 2.500 10 0 BEAEHN C[C@@H]1CCC[C@H](C)N(Cc2cncnc2)C1 ZINC000128188749 490575035 /nfs/dbraw/zinc/57/50/35/490575035.db2.gz APGWNHIOGYGCNL-NEPJUHHUSA-N 0 3 219.332 2.487 10 0 BEAEHN Cc1nnc(N(CC2CC2)C(C)C)c(CN)c1C ZINC000042561235 180421545 /nfs/dbraw/zinc/42/15/45/180421545.db2.gz USEBTERORYXBPN-UHFFFAOYSA-N 0 3 248.374 2.177 10 0 BEAEHN CNc1ccccc1[C@H]1CCN(C)CCO1 ZINC000616595201 350605630 /nfs/dbraw/zinc/60/56/30/350605630.db2.gz UOFPVGOWPOYUJA-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CNc1cccc([C@@H]2COCCCN2C)c1 ZINC000616597265 350650021 /nfs/dbraw/zinc/65/00/21/350650021.db2.gz OSGCVOXGFJYMNT-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CCN1CCCOC[C@@H]1c1ccc(OC)cc1 ZINC000616598509 350672755 /nfs/dbraw/zinc/67/27/55/350672755.db2.gz CQWUFPRAQKAHJR-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CCN1CCCOC[C@@H]1c1cccc(N)c1 ZINC000616598485 350673003 /nfs/dbraw/zinc/67/30/03/350673003.db2.gz BORVMRNLHRAVLN-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN c1ccc2c(c1)cncc2[C@@H]1COCCCN1 ZINC000616597863 350653751 /nfs/dbraw/zinc/65/37/51/350653751.db2.gz UINNQZWMMQKPMQ-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOC[C@@H](c2nccc3ccccc32)C1 ZINC000616598773 350688375 /nfs/dbraw/zinc/68/83/75/350688375.db2.gz RGRDUXPKABYTSG-ZDUSSCGKSA-N 0 3 242.322 2.280 10 0 BEAEHN CCN1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616599642 350754808 /nfs/dbraw/zinc/75/48/08/350754808.db2.gz TUOLAVTZDZUJPA-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN c1cnc2ccc([C@H]3COCCCN3)cc2c1 ZINC000616599756 350757614 /nfs/dbraw/zinc/75/76/14/350757614.db2.gz OPEZSFYJOWEFTD-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)(C)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000616613862 350816830 /nfs/dbraw/zinc/81/68/30/350816830.db2.gz CHSRHAGGISJANB-SECBINFHSA-N 0 3 208.309 2.130 10 0 BEAEHN CCN1CCNC[C@@H]1c1cncc2ccccc21 ZINC000616601081 350781378 /nfs/dbraw/zinc/78/13/78/350781378.db2.gz FLQYHTYRLHAZQW-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@H](c2nccc3ccccc32)C1 ZINC000616604661 350793333 /nfs/dbraw/zinc/79/33/33/350793333.db2.gz YFHAYLVZURWEME-AWEZNQCLSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)(C)N1CCC[C@H]1c1ccnnc1 ZINC000616608332 350804295 /nfs/dbraw/zinc/80/42/95/350804295.db2.gz SENABEAXUDADPG-NSHDSACASA-N 0 3 205.305 2.412 10 0 BEAEHN CCN1CCCC[C@H]1c1ccccc1C(N)=O ZINC000616615054 350844780 /nfs/dbraw/zinc/84/47/80/350844780.db2.gz ALVBSCJHSBYISD-ZDUSSCGKSA-N 0 3 232.327 2.332 10 0 BEAEHN CC(C)(C)N1CCCC[C@H]1c1cnno1 ZINC000616615418 350847096 /nfs/dbraw/zinc/84/70/96/350847096.db2.gz JRZZOLPBLZXHJF-VIFPVBQESA-N 0 3 209.293 2.395 10 0 BEAEHN CN1CCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616617216 350863353 /nfs/dbraw/zinc/86/33/53/350863353.db2.gz NOLKJDHROCINTB-GFCCVEGCSA-N 0 3 227.311 2.439 10 0 BEAEHN CCON[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000306727929 350898429 /nfs/dbraw/zinc/89/84/29/350898429.db2.gz MZEFPICFRQAWPS-JSGCOSHPSA-N 0 3 234.343 2.191 10 0 BEAEHN CSC1([C@H]2NC[C@@H](C)S2)CCC1 ZINC000306727418 350898787 /nfs/dbraw/zinc/89/87/87/350898787.db2.gz AUJWGUWYJXNTLI-SFYZADRCSA-N 0 3 203.376 2.323 10 0 BEAEHN N[C@@H]1CCCc2nc(C(F)(F)F)sc21 ZINC000159600825 350921246 /nfs/dbraw/zinc/92/12/46/350921246.db2.gz CIUWLNNJYVLYJW-SCSAIBSYSA-N 0 3 222.235 2.498 10 0 BEAEHN CC(C)(C)N1CCC(c2conn2)CC1 ZINC000616619149 350926644 /nfs/dbraw/zinc/92/66/44/350926644.db2.gz GPHIGULWCTUAPN-UHFFFAOYSA-N 0 3 209.293 2.048 10 0 BEAEHN N[C@H](Cc1cncs1)c1ccsc1 ZINC000159709353 350981706 /nfs/dbraw/zinc/98/17/06/350981706.db2.gz YLLMLQPRHHJIJZ-SECBINFHSA-N 0 3 210.327 2.447 10 0 BEAEHN C[C@@H]1CS[C@H]([C@]2(C)CCCS2)N1 ZINC000306803201 351057535 /nfs/dbraw/zinc/05/75/35/351057535.db2.gz VODGZUGGMAZVDB-HLTSFMKQSA-N 0 3 203.376 2.323 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc2ncccc2c1 ZINC000616636540 351126745 /nfs/dbraw/zinc/12/67/45/351126745.db2.gz DIPJZOHAIVJRPC-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN c1ccc2c(c1)ccnc2[C@H]1COCCCN1 ZINC000616646424 351171450 /nfs/dbraw/zinc/17/14/50/351171450.db2.gz UHDPIHDLLIBSAQ-CYBMUJFWSA-N 0 3 228.295 2.286 10 0 BEAEHN CNc1ccccc1[C@@H]1COCCCN1C ZINC000616650010 351173197 /nfs/dbraw/zinc/17/31/97/351173197.db2.gz UVLANEYQMLPOMJ-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2cncnc2)C1 ZINC000616650039 351173615 /nfs/dbraw/zinc/17/36/15/351173615.db2.gz QTJLPGKZUSBORF-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2cncnc2)C1 ZINC000616653498 351193858 /nfs/dbraw/zinc/19/38/58/351193858.db2.gz QTJLPGKZUSBORF-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2cccc(N)n2)C1 ZINC000616650349 351176536 /nfs/dbraw/zinc/17/65/36/351176536.db2.gz YHHXPSYTGFZEON-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(=O)Nc1ccc([C@H]2CN(C)CCCO2)cc1 ZINC000616652515 351185165 /nfs/dbraw/zinc/18/51/65/351185165.db2.gz OKWFFWWFAPNPFQ-CQSZACIVSA-N 0 3 248.326 2.038 10 0 BEAEHN C[C@@H]1C[C@H]1Nc1cc(N)ncc1Br ZINC000306829644 351139026 /nfs/dbraw/zinc/13/90/26/351139026.db2.gz KFKAGVNAMAAVID-IYSWYEEDSA-N 0 3 242.120 2.247 10 0 BEAEHN CCN1CCc2ccccc2[C@@H]1c1cn[nH]c1 ZINC000616677056 351241676 /nfs/dbraw/zinc/24/16/76/351241676.db2.gz GXXFVYIZHIFCAY-AWEZNQCLSA-N 0 3 227.311 2.377 10 0 BEAEHN CN1CCOC[C@H](c2ccc3ccccc3n2)C1 ZINC000616657228 351198285 /nfs/dbraw/zinc/19/82/85/351198285.db2.gz COGJNZGMFRHMQI-CYBMUJFWSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)(C)N1CCOCC[C@@H]1c1ccc(N)nc1 ZINC000616655925 351201842 /nfs/dbraw/zinc/20/18/42/351201842.db2.gz MRKXZEQPFVHPQK-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN CN1CCOC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616659642 351208225 /nfs/dbraw/zinc/20/82/25/351208225.db2.gz COGJNZGMFRHMQI-ZDUSSCGKSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)N1CCOC[C@@H](c2cccc(CO)c2)C1 ZINC000616660728 351213553 /nfs/dbraw/zinc/21/35/53/351213553.db2.gz NYXCJIKUXULWCR-HNNXBMFYSA-N 0 3 249.354 2.003 10 0 BEAEHN c1ccc2c(c1)ccnc2[C@H]1CCOCCN1 ZINC000616661074 351214308 /nfs/dbraw/zinc/21/43/08/351214308.db2.gz YHCOYOLTGWHQAS-CYBMUJFWSA-N 0 3 228.295 2.286 10 0 BEAEHN NCc1ccc2c(F)ccc(Cl)c2n1 ZINC000231838313 351399955 /nfs/dbraw/zinc/39/99/55/351399955.db2.gz GRYTZZRSRZFPHW-UHFFFAOYSA-N 0 3 210.639 2.486 10 0 BEAEHN Cc1nc(C2(N)CC2)ccc1Br ZINC000306922044 351342209 /nfs/dbraw/zinc/34/22/09/351342209.db2.gz SXKHPZIGYFLDGY-UHFFFAOYSA-N 0 3 227.105 2.100 10 0 BEAEHN CC(C)(C)OC(=O)N[C@@H]1CNCc2ccccc21 ZINC000228776028 351348013 /nfs/dbraw/zinc/34/80/13/351348013.db2.gz MQHAYLHGSZWLNR-GFCCVEGCSA-N 0 3 248.326 2.356 10 0 BEAEHN Cc1csc(CNc2nccn2C)c1 ZINC000306935609 351359866 /nfs/dbraw/zinc/35/98/66/351359866.db2.gz HGHWRAMFQYUSGU-UHFFFAOYSA-N 0 3 207.302 2.402 10 0 BEAEHN Cn1cc([C@H](N)c2ccccc2Cl)cn1 ZINC000034957684 351362894 /nfs/dbraw/zinc/36/28/94/351362894.db2.gz FQGMCLKNEMFIME-NSHDSACASA-N 0 3 221.691 2.122 10 0 BEAEHN C[C@@H]1CCSC(NCCC(F)(F)F)=N1 ZINC000133641500 351427689 /nfs/dbraw/zinc/42/76/89/351427689.db2.gz VUMGWLGRFZBDNN-ZCFIWIBFSA-N 0 3 226.267 2.410 10 0 BEAEHN Cn1ccnc1CNC12CC3CC(CC(C3)C1)C2 ZINC000036896220 358464908 /nfs/dbraw/zinc/46/49/08/358464908.db2.gz DCIUQHHVPFJAGD-UHFFFAOYSA-N 0 3 245.370 2.479 10 0 BEAEHN Cc1csc(CN[C@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000307008796 351416506 /nfs/dbraw/zinc/41/65/06/351416506.db2.gz HCWHRBFLYDFREL-UTLUCORTSA-N 0 3 208.330 2.340 10 0 BEAEHN C/C(=C\Cl)CN[C@H]1COC(C)(C)C1 ZINC000307093003 351473340 /nfs/dbraw/zinc/47/33/40/351473340.db2.gz SICRBWAWPUGVNI-WHXYTISESA-N 0 3 203.713 2.286 10 0 BEAEHN C[C@H](CN(C)C)Nc1cc(Cl)nc(Cl)n1 ZINC000307102914 351479926 /nfs/dbraw/zinc/47/99/26/351479926.db2.gz ZZSPRKLSWWMYQR-ZCFIWIBFSA-N 0 3 249.145 2.145 10 0 BEAEHN CCC[C@H](C(=O)N1CCC[C@@H](CC)C1)N(C)C ZINC000161543501 323545357 /nfs/dbraw/zinc/54/53/57/323545357.db2.gz NUXBVOFGWWVYDR-CHWSQXEVSA-N 0 3 240.391 2.365 10 0 BEAEHN CCN[C@@H](C)C(=O)NC1CCC(CC)CC1 ZINC000637920093 351795230 /nfs/dbraw/zinc/79/52/30/351795230.db2.gz WDIRZXKLQAAFGD-UNXYVOJBSA-N 0 3 226.364 2.069 10 0 BEAEHN [NH3+]Cc1ccc(-c2cccc([O-])c2F)nc1F ZINC000725270428 538102003 /nfs/dbraw/zinc/10/20/03/538102003.db2.gz KTVWETJRJRSABD-UHFFFAOYSA-N 0 3 236.221 2.191 10 0 BEAEHN Cc1ccc([C@H](C)NC(=O)C2(N)CCCC2)o1 ZINC000037616402 187597412 /nfs/dbraw/zinc/59/74/12/187597412.db2.gz NBYUTCGKXZMJKK-JTQLQIEISA-N 0 3 236.315 2.037 10 0 BEAEHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC#N ZINC000307389792 352546669 /nfs/dbraw/zinc/54/66/69/352546669.db2.gz REVFNKVXSJVMRX-AWEZNQCLSA-N 0 3 243.354 2.358 10 0 BEAEHN FC1(F)CC(NC[C@@H]2CCC=CO2)C1 ZINC000307474934 352618599 /nfs/dbraw/zinc/61/85/99/352618599.db2.gz AOQHFXLLWPFDBB-VIFPVBQESA-N 0 3 203.232 2.066 10 0 BEAEHN Cc1cc(Br)cnc1C(C)(C)N ZINC000307491009 352621279 /nfs/dbraw/zinc/62/12/79/352621279.db2.gz GHSUGHIYKXOLRZ-UHFFFAOYSA-N 0 3 229.121 2.346 10 0 BEAEHN c1c[nH]c(SCCNCc2ccccc2)n1 ZINC000232451372 352675230 /nfs/dbraw/zinc/67/52/30/352675230.db2.gz LULVDMDMZNVUKG-UHFFFAOYSA-N 0 3 233.340 2.292 10 0 BEAEHN CC[C@H](N)c1ccoc1Br ZINC000229299919 352933598 /nfs/dbraw/zinc/93/35/98/352933598.db2.gz FJJXROTWFJZFCQ-LURJTMIESA-N 0 3 204.067 2.452 10 0 BEAEHN CC(C)[C@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000319011030 538106101 /nfs/dbraw/zinc/10/61/01/538106101.db2.gz PJESMXHPGHOUCU-IUCAKERBSA-N 0 3 225.254 2.030 10 0 BEAEHN CCC[C@H](N)C(=O)NCCC(C)(C)CC ZINC000638865819 353039850 /nfs/dbraw/zinc/03/98/50/353039850.db2.gz KNRZBNUSCIUZNM-JTQLQIEISA-N 0 3 214.353 2.056 10 0 BEAEHN CC(C)N(C)c1ccc(CN[C@H]2C[C@H]2C)cn1 ZINC000190952164 188003153 /nfs/dbraw/zinc/00/31/53/188003153.db2.gz WUHSXTHIJSBBNV-YPMHNXCESA-N 0 3 233.359 2.424 10 0 BEAEHN N[C@@H](c1ccns1)[C@H]1CCCS1 ZINC000307456181 353077721 /nfs/dbraw/zinc/07/77/21/353077721.db2.gz DHTDIUASCSJVSK-HTRCEHHLSA-N 0 3 200.332 2.039 10 0 BEAEHN CC(C)(C)OC(=O)N1C[C@@H](N)[C@H]1c1ccccc1 ZINC000096962700 188051113 /nfs/dbraw/zinc/05/11/13/188051113.db2.gz PZZMEFXCTZWZFX-VXGBXAGGSA-N 0 3 248.326 2.306 10 0 BEAEHN CC1(C)CC[C@@H]1N[C@@H](CO)CC(F)(F)F ZINC000336760305 353171890 /nfs/dbraw/zinc/17/18/90/353171890.db2.gz MDXVVHRFKIWJHY-SFYZADRCSA-N 0 3 225.254 2.078 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)CC1CCC1 ZINC000638996525 353232990 /nfs/dbraw/zinc/23/29/90/353232990.db2.gz MRGNZKXEKQVYPZ-JBLDHEPKSA-N 0 3 226.364 2.055 10 0 BEAEHN CC(=O)CCN1CCC[C@H]1c1ccco1 ZINC000116293200 188246129 /nfs/dbraw/zinc/24/61/29/188246129.db2.gz BELSKLBWASFBAR-NSHDSACASA-N 0 3 207.273 2.396 10 0 BEAEHN CC(C)(C)c1ccc2oc([C@H](O)CN)nc2c1 ZINC000076166950 188269633 /nfs/dbraw/zinc/26/96/33/188269633.db2.gz PRDFQNZRSLDNQY-SNVBAGLBSA-N 0 3 234.299 2.117 10 0 BEAEHN COc1ccc([C@H](N)[C@H]2CCCO2)c(C)c1 ZINC000019972092 188282145 /nfs/dbraw/zinc/28/21/45/188282145.db2.gz ZUMVGZPMILJQCP-OLZOCXBDSA-N 0 3 221.300 2.182 10 0 BEAEHN CC(C)[C@H](C)N[C@@H]1COc2cc(O)ccc21 ZINC000020522819 188282458 /nfs/dbraw/zinc/28/24/58/188282458.db2.gz IXONMFKIKABNPL-JOYOIKCWSA-N 0 3 221.300 2.460 10 0 BEAEHN CC(C)[C@H](C)N(C)CC(=O)Nc1cccc(N)c1 ZINC000036786502 188286394 /nfs/dbraw/zinc/28/63/94/188286394.db2.gz YLAZZTINQZYCTQ-NSHDSACASA-N 0 3 249.358 2.184 10 0 BEAEHN CNCc1cnn(-c2cc(C)cc(C)c2)c1 ZINC000040932555 188293082 /nfs/dbraw/zinc/29/30/82/188293082.db2.gz FZZLSVUBOZORNJ-UHFFFAOYSA-N 0 3 215.300 2.209 10 0 BEAEHN CC[C@@H]1CCC(=O)[C@@H](CN(C)[C@@H](C)COC)C1 ZINC000053928615 188300364 /nfs/dbraw/zinc/30/03/64/188300364.db2.gz JYWIEWFGPHGLGX-YNEHKIRRSA-N 0 3 241.375 2.349 10 0 BEAEHN Cc1csc(CN[C@@H]2CCCSC2)n1 ZINC000061588876 188302069 /nfs/dbraw/zinc/30/20/69/188302069.db2.gz HCFMNDSBPPGXLO-SECBINFHSA-N 0 3 228.386 2.437 10 0 BEAEHN Cc1cc(N(C)C[C@H]2CCN(C)C2)ccc1C=O ZINC000071189482 188305605 /nfs/dbraw/zinc/30/56/05/188305605.db2.gz MPJKBQRONYDATI-ZDUSSCGKSA-N 0 3 246.354 2.195 10 0 BEAEHN C[C@@H]1Oc2c(ccc(Cl)c2F)[C@@H]1N ZINC000130685424 353359293 /nfs/dbraw/zinc/35/92/93/353359293.db2.gz HLKMBBLZLVGROU-RNHFCUEFSA-N 0 3 201.628 2.260 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]CCc2ccco2)n1 ZINC000112716324 188327711 /nfs/dbraw/zinc/32/77/11/188327711.db2.gz OBRUHBSMWJKIKM-UHFFFAOYSA-N 0 3 232.283 2.021 10 0 BEAEHN COc1ccc(Cl)cc1NCCN(C)C ZINC000020048766 188352431 /nfs/dbraw/zinc/35/24/31/188352431.db2.gz PGPDUISNTGVJED-UHFFFAOYSA-N 0 3 228.723 2.322 10 0 BEAEHN Fc1ccc([C@@H]2CNCO2)cc1Cl ZINC000082531574 180981814 /nfs/dbraw/zinc/98/18/14/180981814.db2.gz OLYLYLKTVUHABH-VIFPVBQESA-N 0 3 201.628 2.098 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cccc(C(N)=O)c1 ZINC000231675754 353642154 /nfs/dbraw/zinc/64/21/54/353642154.db2.gz LRXBDUXDJMFGMJ-DGCLKSJQSA-N 0 3 232.327 2.064 10 0 BEAEHN Fc1cccc2c1[C@@H](N1CCCC1)CNC2 ZINC000022812991 181006637 /nfs/dbraw/zinc/00/66/37/181006637.db2.gz IRQCXKCHEBQEES-LBPRGKRZSA-N 0 3 220.291 2.066 10 0 BEAEHN NCc1nccc2c(Cl)cc(F)cc21 ZINC000521401847 259455323 /nfs/dbraw/zinc/45/53/23/259455323.db2.gz QFNKACUEIWJRIQ-UHFFFAOYSA-N 0 3 210.639 2.486 10 0 BEAEHN CCC(C)(C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000335202666 355036906 /nfs/dbraw/zinc/03/69/06/355036906.db2.gz ILUWZRMVNJGAIS-VXGBXAGGSA-N 0 3 238.375 2.118 10 0 BEAEHN CCN1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC000040502996 358493795 /nfs/dbraw/zinc/49/37/95/358493795.db2.gz PORNHQTXJNSOQL-LLVKDONJSA-N 0 3 239.388 2.025 10 0 BEAEHN N=C(N)c1cccnc1Oc1ccccc1F ZINC000019440470 181195977 /nfs/dbraw/zinc/19/59/77/181195977.db2.gz SFSBJDLNIBTAJX-UHFFFAOYSA-N 0 3 231.230 2.297 10 0 BEAEHN N=C(N)c1cccnc1OC1CCCCC1 ZINC000019475055 181196636 /nfs/dbraw/zinc/19/66/36/181196636.db2.gz VSAPAQQOVZQOQC-UHFFFAOYSA-N 0 3 219.288 2.077 10 0 BEAEHN N=C(N)c1ncccc1COC1CCCCC1 ZINC000061658547 181197257 /nfs/dbraw/zinc/19/72/57/181197257.db2.gz MIFOEQNCKHTAHF-UHFFFAOYSA-N 0 3 233.315 2.215 10 0 BEAEHN CC(C)N(C)c1cc(CN)c(Cl)cn1 ZINC000166559228 355691998 /nfs/dbraw/zinc/69/19/98/355691998.db2.gz DNEHIASKMDAANA-UHFFFAOYSA-N 0 3 213.712 2.038 10 0 BEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H](C)C1 ZINC000336010820 134050641 /nfs/dbraw/zinc/05/06/41/134050641.db2.gz IIZCAHZTQQOVIN-QWHCGFSZSA-N 0 3 238.375 2.118 10 0 BEAEHN CCN1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000389197800 355839618 /nfs/dbraw/zinc/83/96/18/355839618.db2.gz XUZSUFBXXMLVGJ-CYBMUJFWSA-N 0 3 236.334 2.318 10 0 BEAEHN CC(C)=CCN[C@@H]1Cc2ccccc2[C@H]1O ZINC000192314400 355978798 /nfs/dbraw/zinc/97/87/98/355978798.db2.gz KIYNDZKXPIROGP-ZIAGYGMSSA-N 0 3 217.312 2.201 10 0 BEAEHN CC(C)=CC(=O)Nc1cccc2c1CNCC2 ZINC000167360554 355985541 /nfs/dbraw/zinc/98/55/41/355985541.db2.gz BXKIGNFEDBRREE-UHFFFAOYSA-N 0 3 230.311 2.237 10 0 BEAEHN CCC(F)(F)CN1C[C@H]2CCCN2C[C@@H]1C ZINC000639489706 356306624 /nfs/dbraw/zinc/30/66/24/356306624.db2.gz SOUVJMAZHMDJNU-WDEREUQCSA-N 0 3 232.318 2.200 10 0 BEAEHN NC(=O)[C@@H](NC1CCCCC1)c1ccsc1 ZINC000037969635 181264988 /nfs/dbraw/zinc/26/49/88/181264988.db2.gz BTXZYXLMIXNSER-NSHDSACASA-N 0 3 238.356 2.197 10 0 BEAEHN CN(C)c1ccc(CN)c(OC(F)(F)F)c1 ZINC000396123886 356454627 /nfs/dbraw/zinc/45/46/27/356454627.db2.gz XKZUFVOVLRVYHK-UHFFFAOYSA-N 0 3 234.221 2.110 10 0 BEAEHN NC(=O)[C@H](NC1CCCCC1)c1ccsc1 ZINC000037969636 181278152 /nfs/dbraw/zinc/27/81/52/181278152.db2.gz BTXZYXLMIXNSER-LLVKDONJSA-N 0 3 238.356 2.197 10 0 BEAEHN CCc1nc(CNC[C@@H]2CCCOC2)cs1 ZINC000049591330 356493165 /nfs/dbraw/zinc/49/31/65/356493165.db2.gz DUGCCQGFGZRXTE-JTQLQIEISA-N 0 3 240.372 2.222 10 0 BEAEHN CCCc1cn2c(n1)[C@H](CC)NCCC2 ZINC000675068147 538495660 /nfs/dbraw/zinc/49/56/60/538495660.db2.gz MZRVLEHOZOEZRG-NSHDSACASA-N 0 3 207.321 2.280 10 0 BEAEHN COc1ncccc1[C@@H]1CCC[C@H](C)N1 ZINC000675072300 538502679 /nfs/dbraw/zinc/50/26/79/538502679.db2.gz BFLOLNUPNRBJNJ-ONGXEEELSA-N 0 3 206.289 2.293 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)C(C)C ZINC000167766835 134153983 /nfs/dbraw/zinc/15/39/83/134153983.db2.gz LQVXGMSKJZTRLH-GHMZBOCLSA-N 0 3 236.363 2.310 10 0 BEAEHN C[C@]1(C2CCCCC2)NCCc2nc[nH]c21 ZINC000221392562 538561233 /nfs/dbraw/zinc/56/12/33/538561233.db2.gz IPIBEYISCKQWHX-CYBMUJFWSA-N 0 3 219.332 2.351 10 0 BEAEHN C[C@@H]1Oc2c(c(F)ccc2Br)[C@H]1N ZINC000160407643 356705977 /nfs/dbraw/zinc/70/59/77/356705977.db2.gz YUBQFJXFSKVORU-NVNXEXLPSA-N 0 3 246.079 2.369 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NC[C@@](C)(O)C(F)(F)F ZINC000389716468 357018842 /nfs/dbraw/zinc/01/88/42/357018842.db2.gz OBEDAFRXRJZCMO-HRDYMLBCSA-N 0 3 225.254 2.078 10 0 BEAEHN CC(C)(N)C(=O)Cc1cccc(F)c1Cl ZINC000168679495 357067453 /nfs/dbraw/zinc/06/74/53/357067453.db2.gz UGANMCKOQDQHOP-UHFFFAOYSA-N 0 3 229.682 2.328 10 0 BEAEHN C[C@@H]1Oc2cc(Br)c(F)cc2[C@H]1N ZINC000137656086 357224493 /nfs/dbraw/zinc/22/44/93/357224493.db2.gz HWDIASYDIKRVTK-IGJIYHIXSA-N 0 3 246.079 2.369 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC1CCC1 ZINC000085697055 357553724 /nfs/dbraw/zinc/55/37/24/357553724.db2.gz ASGNGTXMRFXJSZ-TZMCWYRMSA-N 0 3 222.376 2.345 10 0 BEAEHN CC[C@H](C)CC(=O)N(C)C[C@H]1CCCN1CC ZINC000188705408 357565911 /nfs/dbraw/zinc/56/59/11/357565911.db2.gz GIVIFJVZDPMCTR-QWHCGFSZSA-N 0 3 240.391 2.365 10 0 BEAEHN CC[C@@H](C)CC(=O)N(C)C[C@H]1CCCN1CC ZINC000188705386 357565941 /nfs/dbraw/zinc/56/59/41/357565941.db2.gz GIVIFJVZDPMCTR-CHWSQXEVSA-N 0 3 240.391 2.365 10 0 BEAEHN c1nc2n(n1)CCC[C@H]2N[C@@H]1CCC12CCCC2 ZINC000189147549 357606944 /nfs/dbraw/zinc/60/69/44/357606944.db2.gz NCKSIESBZUQBSN-VXGBXAGGSA-N 0 3 246.358 2.425 10 0 BEAEHN CC1(C)C[C@@H]1C(=O)Nc1cccc2c1CNCC2 ZINC000232854151 357685587 /nfs/dbraw/zinc/68/55/87/357685587.db2.gz YEMXXULLEAECRR-GFCCVEGCSA-N 0 3 244.338 2.317 10 0 BEAEHN Cn1c(CN[C@@H]2CCCC2(C)C)nnc1C1CC1 ZINC000191303918 357765304 /nfs/dbraw/zinc/76/53/04/357765304.db2.gz VXNPTHJWTLBIMS-LLVKDONJSA-N 0 3 248.374 2.361 10 0 BEAEHN CC(C)c1cc(=NN)nc(N2CCC(C)CC2)[nH]1 ZINC000057331587 535369952 /nfs/dbraw/zinc/36/99/52/535369952.db2.gz SSJPAMHFWJDGTB-UHFFFAOYSA-N 0 3 249.362 2.122 10 0 BEAEHN CCC[C@@H](N)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000037807172 358086550 /nfs/dbraw/zinc/08/65/50/358086550.db2.gz RJIDIYXASWHFPH-VHSXEESVSA-N 0 3 214.353 2.007 10 0 BEAEHN O=C(CC1=CCCCC1)N1CCN2CCC[C@@H]2C1 ZINC000170946071 134255939 /nfs/dbraw/zinc/25/59/39/134255939.db2.gz NNMWFCOMSIFQJM-CQSZACIVSA-N 0 3 248.370 2.184 10 0 BEAEHN CCN(CC)C[C@H]1Oc2cccc(C)c2O1 ZINC000584614804 358279580 /nfs/dbraw/zinc/27/95/80/358279580.db2.gz KZOMWVFKBGRANZ-LBPRGKRZSA-N 0 3 221.300 2.434 10 0 BEAEHN COC[C@H](N)c1ccc(-n2cccc2)c(F)c1 ZINC000584595261 358252424 /nfs/dbraw/zinc/25/24/24/358252424.db2.gz XQNUUHIDADPUNK-LBPRGKRZSA-N 0 3 234.274 2.263 10 0 BEAEHN Cc1nn(C)cc1-c1cc(F)c(CN)s1 ZINC000584630205 358299794 /nfs/dbraw/zinc/29/97/94/358299794.db2.gz OFZQDRIGTZDQIK-UHFFFAOYSA-N 0 3 225.292 2.055 10 0 BEAEHN CCN(CC)C[C@@H](O)c1cnc2ccccc2n1 ZINC000584630428 358300599 /nfs/dbraw/zinc/30/05/99/358300599.db2.gz XWHNXGATVHXQDL-CQSZACIVSA-N 0 3 245.326 2.005 10 0 BEAEHN C[C@H]1Cn2ncc(-c3ccc(F)cc3)c2CN1 ZINC000584648786 358303533 /nfs/dbraw/zinc/30/35/33/358303533.db2.gz RZTWDJYKEZQMHS-VIFPVBQESA-N 0 3 231.274 2.181 10 0 BEAEHN OCCCCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000173400535 134274328 /nfs/dbraw/zinc/27/43/28/134274328.db2.gz UQFIWJCFNMIMTQ-ZDUSSCGKSA-N 0 3 237.347 2.099 10 0 BEAEHN O=C1CCCCC[C@@H]1CN1CCSCC1 ZINC000053926074 358581061 /nfs/dbraw/zinc/58/10/61/358581061.db2.gz DDWQTNZDMLAQHR-LLVKDONJSA-N 0 3 227.373 2.185 10 0 BEAEHN CO[C@H](C)[C@H](C)N[C@H](CO)c1sccc1C ZINC000130457243 358626710 /nfs/dbraw/zinc/62/67/10/358626710.db2.gz RBMZQQWPQHKDCD-HBNTYKKESA-N 0 3 243.372 2.103 10 0 BEAEHN CC[C@@H](COC)N[C@H](CO)c1sccc1C ZINC000130453891 358626779 /nfs/dbraw/zinc/62/67/79/358626779.db2.gz OYOMEPGBEVEQSV-WDEREUQCSA-N 0 3 243.372 2.105 10 0 BEAEHN CC[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131030494 358657858 /nfs/dbraw/zinc/65/78/58/358657858.db2.gz ONNXTAHFIVIHKE-ZJUUUORDSA-N 0 3 222.336 2.064 10 0 BEAEHN O=C(Nc1cccc2c1CNCC2)C1CCCC1 ZINC000131146449 358662703 /nfs/dbraw/zinc/66/27/03/358662703.db2.gz DZWBDSVMMRPKOS-UHFFFAOYSA-N 0 3 244.338 2.461 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1ccsc1 ZINC000035719298 358686887 /nfs/dbraw/zinc/68/68/87/358686887.db2.gz IPPDDKBUZWGLRS-GXSJLCMTSA-N 0 3 240.372 2.080 10 0 BEAEHN CC[C@@H](C)CN[C@@H](C)c1nnc2n1CCCC2 ZINC000133573053 358759516 /nfs/dbraw/zinc/75/95/16/358759516.db2.gz CDBFUOAUPHOMHO-MNOVXSKESA-N 0 3 236.363 2.311 10 0 BEAEHN CC[C@H](C)CN[C@@H](C)c1nnc2n1CCCC2 ZINC000133573267 358759605 /nfs/dbraw/zinc/75/96/05/358759605.db2.gz CDBFUOAUPHOMHO-QWRGUYRKSA-N 0 3 236.363 2.311 10 0 BEAEHN CCc1ccc(CN[C@@H](C)[C@H]2CCCO2)o1 ZINC000051721982 358760078 /nfs/dbraw/zinc/76/00/78/358760078.db2.gz COWNTULAOAGMEN-GXFFZTMASA-N 0 3 223.316 2.499 10 0 BEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]1C ZINC000175835861 134289455 /nfs/dbraw/zinc/28/94/55/134289455.db2.gz XAUPVQSSBDJAAR-STQMWFEESA-N 0 3 238.375 2.260 10 0 BEAEHN CC(C)[C@@H](N[C@H]1CCOC1)c1cccnc1 ZINC000134009984 358775412 /nfs/dbraw/zinc/77/54/12/358775412.db2.gz FFCZFQDSZXFOMA-QWHCGFSZSA-N 0 3 220.316 2.157 10 0 BEAEHN COc1c(CNCCC(C)(C)C)c(C)nn1C ZINC000134147552 358781870 /nfs/dbraw/zinc/78/18/70/358781870.db2.gz JZWZOZONWASSFC-UHFFFAOYSA-N 0 3 239.363 2.263 10 0 BEAEHN CC(=O)CCN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134232236 358783649 /nfs/dbraw/zinc/78/36/49/358783649.db2.gz AOCHWBIBLZWYAM-DOMZBBRYSA-N 0 3 247.338 2.290 10 0 BEAEHN COc1ccc(C)cc1CN[C@@H]1CCO[C@H]1C ZINC000134242621 358784245 /nfs/dbraw/zinc/78/42/45/358784245.db2.gz VFJULZNEUVWAFL-WCQYABFASA-N 0 3 235.327 2.271 10 0 BEAEHN CCCCC(=O)N(C)C[C@@H]1CCCN1CC ZINC000176974174 134295178 /nfs/dbraw/zinc/29/51/78/134295178.db2.gz VZWCZCUUAIBISW-LBPRGKRZSA-N 0 3 226.364 2.119 10 0 BEAEHN c1cc(CN[C@@H]2CCOC3(CCCCC3)C2)n[nH]1 ZINC000136732010 358885871 /nfs/dbraw/zinc/88/58/71/358885871.db2.gz SCAUICDZXNZOQZ-GFCCVEGCSA-N 0 3 249.358 2.381 10 0 BEAEHN CC[C@H](C)[C@@H](C)N[C@H]1CCCn2ncnc21 ZINC000247129071 359196377 /nfs/dbraw/zinc/19/63/77/359196377.db2.gz QDGXPFUEQZJIPY-AXFHLTTASA-N 0 3 222.336 2.137 10 0 BEAEHN CCC(C)(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247042319 359190243 /nfs/dbraw/zinc/19/02/43/359190243.db2.gz ICFHSGDYSTXLDW-NEPJUHHUSA-N 0 3 240.391 2.268 10 0 BEAEHN CSCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000247122369 359195621 /nfs/dbraw/zinc/19/56/21/359195621.db2.gz YWHGKLPVQQPMAZ-VXGBXAGGSA-N 0 3 229.389 2.383 10 0 BEAEHN CC(C)N1C[C@H](C)[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000248042514 359253659 /nfs/dbraw/zinc/25/36/59/359253659.db2.gz UDSRNGOPELWAJJ-KCQAQPDRSA-N 0 3 247.386 2.461 10 0 BEAEHN CC(C)(CO)[C@@H](N)c1ccsc1Cl ZINC000306220329 359340167 /nfs/dbraw/zinc/34/01/67/359340167.db2.gz HTENTINAOLDQKT-ZETCQYMHSA-N 0 3 219.737 2.420 10 0 BEAEHN CCC[C@@H](N)C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000399512319 359341842 /nfs/dbraw/zinc/34/18/42/359341842.db2.gz LUJJCIBBFTXKJK-GHMZBOCLSA-N 0 3 228.380 2.254 10 0 BEAEHN C[C@](F)(CN)c1cc(F)c(F)cc1F ZINC000306240906 359419826 /nfs/dbraw/zinc/41/98/26/359419826.db2.gz LRFPAKVXBZNXIM-VIFPVBQESA-N 0 3 207.170 2.247 10 0 BEAEHN COC(=O)C[C@@](C)(N)c1ccccc1Cl ZINC000086851521 359553611 /nfs/dbraw/zinc/55/36/11/359553611.db2.gz QFWZURXLRVFLSG-LLVKDONJSA-N 0 3 227.691 2.077 10 0 BEAEHN C[C@H]1CSC2(C[C@H]3CC[C@@H](C2)S3)N1 ZINC000403582013 359554720 /nfs/dbraw/zinc/55/47/20/359554720.db2.gz KTKGAVRWQJNNEL-IZJGZUANSA-N 0 3 215.387 2.466 10 0 BEAEHN NCc1ncoc1-c1coc(Br)c1 ZINC000306422414 359862375 /nfs/dbraw/zinc/86/23/75/359862375.db2.gz ATAKFLSMKKZXMY-UHFFFAOYSA-N 0 3 243.060 2.156 10 0 BEAEHN C[C@H](C1CCCC1)N1CCC(=O)[C@@H](C)C1 ZINC000226496167 363707299 /nfs/dbraw/zinc/70/72/99/363707299.db2.gz SCUOXWHJRIMWCV-WDEREUQCSA-N 0 3 209.333 2.476 10 0 BEAEHN CCC1(NCc2nnnn2C(C)C)CCCC1 ZINC000451272350 202391014 /nfs/dbraw/zinc/39/10/14/202391014.db2.gz FRWSJXSKLNBLGK-UHFFFAOYSA-N 0 3 237.351 2.066 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000088077869 359936191 /nfs/dbraw/zinc/93/61/91/359936191.db2.gz ZELGFJWVYZUHOM-UKRRQHHQSA-N 0 3 245.370 2.140 10 0 BEAEHN C[C@@H]1CN[C@@H]([C@H]2CCCSC2)S1 ZINC000306448743 360015771 /nfs/dbraw/zinc/01/57/71/360015771.db2.gz JORGHSWCVDBLQS-HRDYMLBCSA-N 0 3 203.376 2.181 10 0 BEAEHN CCC[C@@H](C(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000119878780 359999822 /nfs/dbraw/zinc/99/98/22/359999822.db2.gz WFLKJDQDNNZLMI-QWHCGFSZSA-N 0 3 240.391 2.269 10 0 BEAEHN CC(C)n1cncc1CN[C@H](C)[C@H]1CCCO1 ZINC000090207728 360064648 /nfs/dbraw/zinc/06/46/48/360064648.db2.gz DIGGXQZONJBPNI-DGCLKSJQSA-N 0 3 237.347 2.121 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)C(C)(C)C ZINC000090224337 360066902 /nfs/dbraw/zinc/06/69/02/360066902.db2.gz BCWFWXOBROBEFR-KOLCDFICSA-N 0 3 236.363 2.446 10 0 BEAEHN CC[C@H](N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226984 360066933 /nfs/dbraw/zinc/06/69/33/360066933.db2.gz YLHPKPCNJKBTNI-NWDGAFQWSA-N 0 3 236.363 2.446 10 0 BEAEHN CC[C@@H](N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226990 360067232 /nfs/dbraw/zinc/06/72/32/360067232.db2.gz YLHPKPCNJKBTNI-NEPJUHHUSA-N 0 3 236.363 2.446 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2NC[C@H](C)CC ZINC000093081600 360215124 /nfs/dbraw/zinc/21/51/24/360215124.db2.gz FHTFJOLUDPLPGR-GHMZBOCLSA-N 0 3 236.363 2.311 10 0 BEAEHN COC(=O)CCN[C@@H](C)c1ccc(C)c(F)c1 ZINC000094836880 360322531 /nfs/dbraw/zinc/32/25/31/360322531.db2.gz XBDYBAXCERHVSH-JTQLQIEISA-N 0 3 239.290 2.348 10 0 BEAEHN CCN1C[C@@H](C)[C@@H](NCc2ccoc2C)C1 ZINC000309460671 491148670 /nfs/dbraw/zinc/14/86/70/491148670.db2.gz NVDUCKIMHIWKSY-MFKMUULPSA-N 0 3 222.332 2.018 10 0 BEAEHN CNC1(C(=O)c2cocc2C)CCCC1 ZINC000306522877 360365052 /nfs/dbraw/zinc/36/50/52/360365052.db2.gz QRCGBGPQGCKEKW-UHFFFAOYSA-N 0 3 207.273 2.303 10 0 BEAEHN NC1(c2ncc(Br)cc2F)CCC1 ZINC000306538830 360400881 /nfs/dbraw/zinc/40/08/81/360400881.db2.gz UABJISWTHFSTCH-UHFFFAOYSA-N 0 3 245.095 2.321 10 0 BEAEHN C[C@@H](N)c1cncn1[C@H](C)C(C)(F)F ZINC000306521581 360359365 /nfs/dbraw/zinc/35/93/65/360359365.db2.gz NHVYLSSMWSVWLY-RNFRBKRXSA-N 0 3 203.236 2.119 10 0 BEAEHN FC(F)C1CC(N2CCSCC2)C1 ZINC000306567927 360448546 /nfs/dbraw/zinc/44/85/46/360448546.db2.gz IOYPDOCVZPGLDZ-UHFFFAOYSA-N 0 3 207.289 2.079 10 0 BEAEHN NNc1nc(NCCF)c(Cl)cc1Cl ZINC000306541953 360412530 /nfs/dbraw/zinc/41/25/30/360412530.db2.gz QBFWFLAAOQCHJM-UHFFFAOYSA-N 0 3 239.081 2.055 10 0 BEAEHN C[C@@](F)([C@H]1CCCN1)C(F)(F)Br ZINC000306581831 360479745 /nfs/dbraw/zinc/47/97/45/360479745.db2.gz QAUALVBSSUOKIV-PHDIDXHHSA-N 0 3 246.070 2.454 10 0 BEAEHN C[C@H]1CN=C(Nc2ccsc2Cl)N1 ZINC000306593321 360513557 /nfs/dbraw/zinc/51/35/57/360513557.db2.gz ABMAMXYXFKOZMY-YFKPBYRVSA-N 0 3 215.709 2.161 10 0 BEAEHN NCc1csc(Cc2cccnc2)c1 ZINC000306595556 360516634 /nfs/dbraw/zinc/51/66/34/360516634.db2.gz YAERFBPTQNLDSH-UHFFFAOYSA-N 0 3 204.298 2.193 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1cc(Cl)cnc1N ZINC000069943636 361177588 /nfs/dbraw/zinc/17/75/88/361177588.db2.gz PHVAJJONPAGZFQ-MUWHJKNJSA-N 0 3 213.712 2.363 10 0 BEAEHN C[C@@H]1OCC[C@@H]1NCc1scnc1C1CC1 ZINC000309913220 491158154 /nfs/dbraw/zinc/15/81/54/491158154.db2.gz NXXIDJDSAFVEEF-WPRPVWTQSA-N 0 3 238.356 2.288 10 0 BEAEHN NC1(c2csc(C(F)(F)F)n2)CCC1 ZINC000083306816 181334667 /nfs/dbraw/zinc/33/46/67/181334667.db2.gz KOLQLPXXYPOIDM-UHFFFAOYSA-N 0 3 222.235 2.500 10 0 BEAEHN N=C1N[C@@H](c2ccco2)Nc2ccccc21 ZINC000013493535 181338982 /nfs/dbraw/zinc/33/89/82/181338982.db2.gz RIOVUWRMOKFDQS-LBPRGKRZSA-N 0 3 213.240 2.109 10 0 BEAEHN CNC(=N)c1cc(Br)cs1 ZINC000070599551 361583235 /nfs/dbraw/zinc/58/32/35/361583235.db2.gz PTJXHOZTGVIVTJ-UHFFFAOYSA-N 0 3 219.107 2.055 10 0 BEAEHN Cc1ccc(CNCc2cn[nH]c2)cc1 ZINC000038005611 361639339 /nfs/dbraw/zinc/63/93/39/361639339.db2.gz NCIKWIPYQYJBEG-UHFFFAOYSA-N 0 3 201.273 2.008 10 0 BEAEHN CC[C@@H](NCc1nccn1C)C(C)(C)C ZINC000163912348 361654639 /nfs/dbraw/zinc/65/46/39/361654639.db2.gz WQTHHNIKDOXAJA-SNVBAGLBSA-N 0 3 209.337 2.334 10 0 BEAEHN NCC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000037004548 181353136 /nfs/dbraw/zinc/35/31/36/181353136.db2.gz NMJCVIIYUFQKRJ-GFCCVEGCSA-N 0 3 238.356 2.054 10 0 BEAEHN NCC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000037004549 181355665 /nfs/dbraw/zinc/35/56/65/181355665.db2.gz NMJCVIIYUFQKRJ-LBPRGKRZSA-N 0 3 238.356 2.054 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)C(C)C ZINC000171970436 365264309 /nfs/dbraw/zinc/26/43/09/365264309.db2.gz SHXFAEGXQJMJAW-CHWSQXEVSA-N 0 3 242.407 2.371 10 0 BEAEHN C[C@H](NCC1CC(O)C1)c1cc(F)cc(F)c1 ZINC000094827798 325786003 /nfs/dbraw/zinc/78/60/03/325786003.db2.gz MDCNNKFHZLNXPH-BVDKZHGWSA-N 0 3 241.281 2.386 10 0 BEAEHN CC[C@@H](C)[C@@H](C)NCc1nnc(C(C)C)n1C ZINC000183054698 366970725 /nfs/dbraw/zinc/97/07/25/366970725.db2.gz OUPKIYNUZZPZLC-GHMZBOCLSA-N 0 3 238.379 2.463 10 0 BEAEHN CCN1CC[C@@H](NCc2csc(C)c2)C1 ZINC000381315550 367379857 /nfs/dbraw/zinc/37/98/57/367379857.db2.gz UZRCNCQHYQJITL-GFCCVEGCSA-N 0 3 224.373 2.240 10 0 BEAEHN CCSc1cccc(CN[C@@H]2C[C@H]2CO)c1 ZINC000381977577 367475687 /nfs/dbraw/zinc/47/56/87/367475687.db2.gz DLBLLCMMDHJJQO-WCQYABFASA-N 0 3 237.368 2.269 10 0 BEAEHN Cc1cc(C(C)C)nc(N2C[C@H](C)NC[C@H]2C)n1 ZINC000253030538 368304565 /nfs/dbraw/zinc/30/45/65/368304565.db2.gz RCPMUFIOIHECJY-NWDGAFQWSA-N 0 3 248.374 2.095 10 0 BEAEHN CCCCN[C@@H](Cc1ccccc1)NC(C)=O ZINC000048564395 368379635 /nfs/dbraw/zinc/37/96/35/368379635.db2.gz LQYLBYHPYXOACN-CQSZACIVSA-N 0 3 234.343 2.081 10 0 BEAEHN NCc1cccnc1N1CCCCCCC1 ZINC000020264925 181490785 /nfs/dbraw/zinc/49/07/85/181490785.db2.gz HIEYXGGJJQOBBC-UHFFFAOYSA-N 0 3 219.332 2.311 10 0 BEAEHN NCc1ccnc(-c2ccc3ncccc3c2)n1 ZINC000062802625 181490478 /nfs/dbraw/zinc/49/04/78/181490478.db2.gz CSSJXCFAKMRNKB-UHFFFAOYSA-N 0 3 236.278 2.151 10 0 BEAEHN N[C@@H](Cn1cccn1)c1ccc(Cl)s1 ZINC000077341998 181560003 /nfs/dbraw/zinc/56/00/03/181560003.db2.gz XLKKVQHABRHFEE-ZETCQYMHSA-N 0 3 227.720 2.298 10 0 BEAEHN N[C@@H]1CC(=O)c2cc(Br)ccc21 ZINC000057953135 181572227 /nfs/dbraw/zinc/57/22/27/181572227.db2.gz GJSLWXGTMFHIII-MRVPVSSYSA-N 0 3 226.073 2.035 10 0 BEAEHN C[C@@H]1Oc2c(c(Br)ccc2F)[C@H]1N ZINC000126647649 371541462 /nfs/dbraw/zinc/54/14/62/371541462.db2.gz QJQBPIKIGUJIRZ-NVNXEXLPSA-N 0 3 246.079 2.369 10 0 BEAEHN N[C@H](CCO)c1cccc(Cl)c1Cl ZINC000002530243 371573111 /nfs/dbraw/zinc/57/31/11/371573111.db2.gz NECIZMMSSYEYPS-MRVPVSSYSA-N 0 3 220.099 2.376 10 0 BEAEHN CC[C@H]1CN=C(NC[C@H]2CCCS2)S1 ZINC000230009688 371632541 /nfs/dbraw/zinc/63/25/41/371632541.db2.gz QHHAPCWDQSYKOY-DTWKUNHWSA-N 0 3 230.402 2.353 10 0 BEAEHN N[C@@H](c1ccns1)C1CCSCC1 ZINC000401699364 371800494 /nfs/dbraw/zinc/80/04/94/371800494.db2.gz MHUAHMCWMZQFIQ-SECBINFHSA-N 0 3 214.359 2.286 10 0 BEAEHN COc1cc(C[NH+](C)C)cc(Cl)c1[O-] ZINC000132500507 371841220 /nfs/dbraw/zinc/84/12/20/371841220.db2.gz MLARRTKBBOKWEA-UHFFFAOYSA-N 0 3 215.680 2.116 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1ccc(Cl)cc1F ZINC000163018188 371911274 /nfs/dbraw/zinc/91/12/74/371911274.db2.gz OGDRHNSAJJVVHU-SNVBAGLBSA-N 0 3 245.681 2.432 10 0 BEAEHN CN(C)[C@H](CN)c1sccc1Br ZINC000228001944 371972107 /nfs/dbraw/zinc/97/21/07/371972107.db2.gz QHZGKXIFIKTTCF-SSDOTTSWSA-N 0 3 249.177 2.072 10 0 BEAEHN C[C@H](N)[C@](C)(F)c1cc(F)ccc1F ZINC000306214719 371999826 /nfs/dbraw/zinc/99/98/26/371999826.db2.gz ZLHINMDBGWNWOQ-WKEGUHRASA-N 0 3 203.207 2.497 10 0 BEAEHN c1sc2c(c1CNC1CC1)CCOC2 ZINC000132911274 371947770 /nfs/dbraw/zinc/94/77/70/371947770.db2.gz MEKJZNRCUBJTOI-UHFFFAOYSA-N 0 3 209.314 2.073 10 0 BEAEHN CC[C@@H]1C[C@@]1(N)c1ccc(Br)cn1 ZINC000133350572 372027813 /nfs/dbraw/zinc/02/78/13/372027813.db2.gz YJKWBIDIDHFNNE-XCBNKYQSSA-N 0 3 241.132 2.428 10 0 BEAEHN CCCNC(=N)c1ccc(Br)cn1 ZINC000133375141 372033910 /nfs/dbraw/zinc/03/39/10/372033910.db2.gz KKWSMOFEINVBHI-UHFFFAOYSA-N 0 3 242.120 2.169 10 0 BEAEHN CCOC(=O)C[C@H](N)c1ccc(SC)cc1 ZINC000003678303 372051528 /nfs/dbraw/zinc/05/15/28/372051528.db2.gz JDCKIJHPCOAUKZ-NSHDSACASA-N 0 3 239.340 2.362 10 0 BEAEHN N[C@@H](c1cscn1)[C@@H]1CCCS1 ZINC000306279259 372005847 /nfs/dbraw/zinc/00/58/47/372005847.db2.gz RSYYLUQEFBDRGP-YUMQZZPRSA-N 0 3 200.332 2.039 10 0 BEAEHN Cc1cc([C@@H](F)[C@H]2CCCN2)sn1 ZINC000306346972 372012469 /nfs/dbraw/zinc/01/24/69/372012469.db2.gz BUKOBZFDIOFKGO-APPZFPTMSA-N 0 3 200.282 2.214 10 0 BEAEHN CCNCc1cc2ccccc2n(CC)c1=O ZINC000039288557 372932606 /nfs/dbraw/zinc/93/26/06/372932606.db2.gz XQOSXDPUFAMGSX-UHFFFAOYSA-N 0 3 230.311 2.131 10 0 BEAEHN COc1ccc(C)cc1CN[C@H]1CCCN(C)C1 ZINC000040672766 373591157 /nfs/dbraw/zinc/59/11/57/373591157.db2.gz KDWDIQOJRKSLJC-AWEZNQCLSA-N 0 3 248.370 2.187 10 0 BEAEHN Cc1ccsc1[C@@H]1CNC(C)(C)CO1 ZINC000069636490 373564163 /nfs/dbraw/zinc/56/41/63/373564163.db2.gz QROCJKQLKQCHJU-VIFPVBQESA-N 0 3 211.330 2.496 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000040854135 373837590 /nfs/dbraw/zinc/83/75/90/373837590.db2.gz GPPCICGSVGYVCX-NOZJJQNGSA-N 0 3 248.326 2.201 10 0 BEAEHN O=C(c1cccc(Cl)c1)[C@@H]1CCCN1 ZINC000041219092 374120353 /nfs/dbraw/zinc/12/03/53/374120353.db2.gz GDKUSMLBTLVDLG-JTQLQIEISA-N 0 3 209.676 2.275 10 0 BEAEHN C[C@@H](N)c1csc([C@@H]2CCCOC2)n1 ZINC000070842466 374204610 /nfs/dbraw/zinc/20/46/10/374204610.db2.gz CXEWNTJOWDLQKO-HTQZYQBOSA-N 0 3 212.318 2.057 10 0 BEAEHN CCOC(=O)CCN[C@H](C)c1ccc(C)o1 ZINC000038097822 170210401 /nfs/dbraw/zinc/21/04/01/170210401.db2.gz YEHJTVMVRMINCB-SNVBAGLBSA-N 0 3 225.288 2.192 10 0 BEAEHN O=C(c1c[nH]c2ccccc12)[C@H]1CCCCN1 ZINC000082295547 182646668 /nfs/dbraw/zinc/64/66/68/182646668.db2.gz XCYPEGBJQRXBBK-CYBMUJFWSA-N 0 3 228.295 2.493 10 0 BEAEHN OC1(CN2CCc3sccc3C2)CCC1 ZINC000336470967 183018935 /nfs/dbraw/zinc/01/89/35/183018935.db2.gz XOXFYRLUURWPAW-UHFFFAOYSA-N 0 3 223.341 2.021 10 0 BEAEHN OCC1(NCc2cc3ccccc3o2)CC1 ZINC000120341716 183038882 /nfs/dbraw/zinc/03/88/82/183038882.db2.gz FWANMMNCAMUUEU-UHFFFAOYSA-N 0 3 217.268 2.047 10 0 BEAEHN OCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC000119325472 183038906 /nfs/dbraw/zinc/03/89/06/183038906.db2.gz DISPFKBDTIGQGS-UHFFFAOYSA-N 0 3 229.682 2.094 10 0 BEAEHN OCC1(NCc2cccc(C(F)(F)F)c2)CC1 ZINC000120396865 183039022 /nfs/dbraw/zinc/03/90/22/183039022.db2.gz JPZNDSNOHHCIJX-UHFFFAOYSA-N 0 3 245.244 2.320 10 0 BEAEHN OC[C@@H](NC1CC1)c1ccc(F)c(Cl)c1 ZINC000083264187 183108090 /nfs/dbraw/zinc/10/80/90/183108090.db2.gz MCEGQYMDLMYNNC-LLVKDONJSA-N 0 3 229.682 2.265 10 0 BEAEHN CCCCc1ccc(N2CC[C@H](NC)C2=O)cc1 ZINC000049648133 169021112 /nfs/dbraw/zinc/02/11/12/169021112.db2.gz FFWLTHSQOJRUAG-AWEZNQCLSA-N 0 3 246.354 2.354 10 0 BEAEHN CCCCn1ccnc1CNCC1CC1 ZINC000045205661 169036778 /nfs/dbraw/zinc/03/67/78/169036778.db2.gz OVSRLWHOFJSURZ-UHFFFAOYSA-N 0 3 207.321 2.183 10 0 BEAEHN CCCN(C(=O)[C@H]1CCC[C@H](C)N1)C(C)C ZINC000037096442 169045838 /nfs/dbraw/zinc/04/58/38/169045838.db2.gz BQOWKQABNGKELA-NWDGAFQWSA-N 0 3 226.364 2.164 10 0 BEAEHN CCCN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000124827683 169055006 /nfs/dbraw/zinc/05/50/06/169055006.db2.gz PBHFDGJFMVSHDN-LBPRGKRZSA-N 0 3 243.395 2.014 10 0 BEAEHN O[C@@H](CCN1CCCCC1)c1ccco1 ZINC000026510465 183174251 /nfs/dbraw/zinc/17/42/51/183174251.db2.gz HNBCCCKACHQLRJ-NSHDSACASA-N 0 3 209.289 2.189 10 0 BEAEHN O[C@@H](CN1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000114469882 183175823 /nfs/dbraw/zinc/17/58/23/183175823.db2.gz AGTDPSVHXQJKJV-NSHDSACASA-N 0 3 245.244 2.445 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC000125655519 183195993 /nfs/dbraw/zinc/19/59/93/183195993.db2.gz SZUAFLVEZHZUAG-ZWNOBZJWSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@@H]1CCCCC[C@@H]1NCc1ccco1 ZINC000037882859 183188176 /nfs/dbraw/zinc/18/81/76/183188176.db2.gz OKDIDOCYEGKMSY-NWDGAFQWSA-N 0 3 209.289 2.063 10 0 BEAEHN O[C@@H]1CCC[C@@H]1NCc1ccccc1Cl ZINC000037489986 183195820 /nfs/dbraw/zinc/19/58/20/183195820.db2.gz IGYFYVCNGZIDTP-NWDGAFQWSA-N 0 3 225.719 2.343 10 0 BEAEHN CCCN(C)[C@@H](CN)c1ccccc1OCC ZINC000020226158 169087137 /nfs/dbraw/zinc/08/71/37/169087137.db2.gz KVXQGZSHIZXKPW-ZDUSSCGKSA-N 0 3 236.359 2.427 10 0 BEAEHN CCCN(C)c1nc(C)cc(C)c1CN ZINC000040509392 169089926 /nfs/dbraw/zinc/08/99/26/169089926.db2.gz PRPRTNBDPUEWFS-UHFFFAOYSA-N 0 3 207.321 2.003 10 0 BEAEHN O[C@H]1CCCC[C@H]1N1CCc2c(F)cccc2C1 ZINC000119453943 183232241 /nfs/dbraw/zinc/23/22/41/183232241.db2.gz IOJNABXQWLBDSB-CABCVRRESA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1cccc(F)c1F ZINC000052013719 183233906 /nfs/dbraw/zinc/23/39/06/183233906.db2.gz GGRWQDJZQHCGBG-NEPJUHHUSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCCN[C@@H]1c1ccccc1Cl ZINC000082372978 183235273 /nfs/dbraw/zinc/23/52/73/183235273.db2.gz ALSKCVLWZUYSNV-WDEREUQCSA-N 0 3 211.692 2.125 10 0 BEAEHN CCCN(CCC)C(=O)[C@H]1CCC[C@@H](C)N1 ZINC000019432144 169144851 /nfs/dbraw/zinc/14/48/51/169144851.db2.gz HBHXGDJOWYECMX-VXGBXAGGSA-N 0 3 226.364 2.166 10 0 BEAEHN CCCN(CCC)c1nc2ccccn2c1CN ZINC000035434025 169153519 /nfs/dbraw/zinc/15/35/19/169153519.db2.gz QZABASQOLHPVJJ-UHFFFAOYSA-N 0 3 246.358 2.419 10 0 BEAEHN CCCN(CCN(C)C)c1cc(N)ccc1C ZINC000053735550 169157328 /nfs/dbraw/zinc/15/73/28/169157328.db2.gz FITYUHZWXPIYPT-UHFFFAOYSA-N 0 3 235.375 2.355 10 0 BEAEHN Oc1cccc2c1CC[C@H]2NC[C@H]1CCCO1 ZINC000036852176 183297311 /nfs/dbraw/zinc/29/73/11/183297311.db2.gz HOMOBSPFRSPMOS-ZWNOBZJWSA-N 0 3 233.311 2.148 10 0 BEAEHN CCCN(c1ncccc1CNC)C(C)C ZINC000051440915 169183234 /nfs/dbraw/zinc/18/32/34/169183234.db2.gz CHLWTGFGBIMQEN-UHFFFAOYSA-N 0 3 221.348 2.426 10 0 BEAEHN CCCN(c1nc2ccccn2c1CN)C1CC1 ZINC000035449248 169183246 /nfs/dbraw/zinc/18/32/46/169183246.db2.gz YIFYCCCEAALHDY-UHFFFAOYSA-N 0 3 244.342 2.172 10 0 BEAEHN CCCNC(=O)CCN[C@@H](CC)c1ccco1 ZINC000054106573 169216775 /nfs/dbraw/zinc/21/67/75/169216775.db2.gz MNFKMLYLWBHCND-NSHDSACASA-N 0 3 238.331 2.237 10 0 BEAEHN CCCNC1(c2nccs2)CCN(C)CC1 ZINC000041061332 169254907 /nfs/dbraw/zinc/25/49/07/169254907.db2.gz MONVCFLTQZTYAL-UHFFFAOYSA-N 0 3 239.388 2.064 10 0 BEAEHN CCCNCC(=O)c1ccccc1OCC ZINC000041613792 169256274 /nfs/dbraw/zinc/25/62/74/169256274.db2.gz YWTJLBIQELHCMY-UHFFFAOYSA-N 0 3 221.300 2.268 10 0 BEAEHN c1cc2c3c(c1)CNCCN3[C@@H]1CCC[C@@H]21 ZINC000034279013 183373334 /nfs/dbraw/zinc/37/33/34/183373334.db2.gz XOSKJKGKWRIMGV-WCQYABFASA-N 0 3 214.312 2.246 10 0 BEAEHN CCCN[C@H](CC(=O)OC)c1ccccc1 ZINC000083351357 169288084 /nfs/dbraw/zinc/28/80/84/169288084.db2.gz FZPTVQGQIZVXEV-GFCCVEGCSA-N 0 3 221.300 2.290 10 0 BEAEHN CCCNCc1cc(C)nc(CC(F)(F)F)n1 ZINC000054831499 169265641 /nfs/dbraw/zinc/26/56/41/169265641.db2.gz ZSZQPOGEURTFRL-UHFFFAOYSA-N 0 3 247.264 2.389 10 0 BEAEHN CCCNCc1ccnc(-c2ccccn2)n1 ZINC000054791544 169267455 /nfs/dbraw/zinc/26/74/55/169267455.db2.gz UEBOAJWTYNAIAP-UHFFFAOYSA-N 0 3 228.299 2.038 10 0 BEAEHN CCCNCc1cccnc1N1CC[C@@H](C)C1 ZINC000051448270 169267574 /nfs/dbraw/zinc/26/75/74/169267574.db2.gz MFIOBOUFSFAVSW-GFCCVEGCSA-N 0 3 233.359 2.427 10 0 BEAEHN CCCNCc1sc(CN(C)C)nc1CC ZINC000082425493 169269161 /nfs/dbraw/zinc/26/91/61/169269161.db2.gz NANIOFQDCKWGCF-UHFFFAOYSA-N 0 3 241.404 2.267 10 0 BEAEHN CCCN[C@@H]1CCN(c2ccccc2C)C1=O ZINC000049647943 169283121 /nfs/dbraw/zinc/28/31/21/169283121.db2.gz SUVYRZFTRPQQEZ-GFCCVEGCSA-N 0 3 232.327 2.100 10 0 BEAEHN CCCN[C@@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974195 169283267 /nfs/dbraw/zinc/28/32/67/169283267.db2.gz MCFCTBBRHDFZAV-BDJLRTHQSA-N 0 3 241.331 2.378 10 0 BEAEHN CCCOC[C@@H](N)c1ccc(OC)cc1OC ZINC000037025179 169309471 /nfs/dbraw/zinc/30/94/71/169309471.db2.gz AVXQBPCIHICKSJ-GFCCVEGCSA-N 0 3 239.315 2.130 10 0 BEAEHN CCCOc1ccc(-c2cc(CN)[nH]n2)cc1 ZINC000041142351 169316130 /nfs/dbraw/zinc/31/61/30/169316130.db2.gz APDGYTHQLRSXNS-UHFFFAOYSA-N 0 3 231.299 2.324 10 0 BEAEHN CCCN[C@H]1CCN(c2cccc(C)c2)C1=O ZINC000049647912 169291795 /nfs/dbraw/zinc/29/17/95/169291795.db2.gz IMUFBROHWCOYOJ-ZDUSSCGKSA-N 0 3 232.327 2.100 10 0 BEAEHN CCCSc1nc2sccn2c1CN ZINC000031972556 169341890 /nfs/dbraw/zinc/34/18/90/169341890.db2.gz QOGFJHUUKTXIFP-UHFFFAOYSA-N 0 3 227.358 2.357 10 0 BEAEHN CCCOc1ccc([C@@H](N)CC(=O)OC)cc1 ZINC000052919382 169321239 /nfs/dbraw/zinc/32/12/39/169321239.db2.gz KXOQLWYFEOMBCU-LBPRGKRZSA-N 0 3 237.299 2.038 10 0 BEAEHN CCC[C@@H](C)NCc1cc(C(N)=O)ccc1F ZINC000020040757 169370501 /nfs/dbraw/zinc/37/05/01/169370501.db2.gz RVXRPSROQYLNGO-SECBINFHSA-N 0 3 238.306 2.203 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000036873401 169388435 /nfs/dbraw/zinc/38/84/35/169388435.db2.gz IWHWDAWGDFMCJC-KGLIPLIRSA-N 0 3 246.354 2.478 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@@H](CC)c1cccs1 ZINC000049532181 169390880 /nfs/dbraw/zinc/39/08/80/169390880.db2.gz AUFSRRKNWSDUFK-ZJUUUORDSA-N 0 3 240.372 2.443 10 0 BEAEHN CCC[C@@H](N)c1nc2cc(OC)ccc2n1C ZINC000074297802 169393495 /nfs/dbraw/zinc/39/34/95/169393495.db2.gz ZCNRSFGVPHKLDZ-SNVBAGLBSA-N 0 3 233.315 2.382 10 0 BEAEHN CCn1nc(C)c([C@@H](C)NC[C@H](C)OC)c1C ZINC000223969112 134343331 /nfs/dbraw/zinc/34/33/31/134343331.db2.gz YZAUKBJTLGMREW-VHSXEESVSA-N 0 3 239.363 2.205 10 0 BEAEHN CSCCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227328449 134378149 /nfs/dbraw/zinc/37/81/49/134378149.db2.gz QKKJJDPGHJXLNK-STQMWFEESA-N 0 3 242.432 2.298 10 0 BEAEHN C[C@@H](NCC(=O)N1CCCC1)c1cccs1 ZINC000035138562 383835447 /nfs/dbraw/zinc/83/54/47/383835447.db2.gz IQAMYSIHGVMZMC-SNVBAGLBSA-N 0 3 238.356 2.021 10 0 BEAEHN NCc1cnc2oc(Br)cc2c1 ZINC000035269756 383844867 /nfs/dbraw/zinc/84/48/67/383844867.db2.gz DAJKNUYKPWTXBE-UHFFFAOYSA-N 0 3 227.061 2.049 10 0 BEAEHN CCc1ccc([C@H](C)NCC(=O)NC2CC2)cc1 ZINC000035132984 383831493 /nfs/dbraw/zinc/83/14/93/383831493.db2.gz ZAUWMSONGPHYEO-NSHDSACASA-N 0 3 246.354 2.178 10 0 BEAEHN CC[C@H](N[C@@H]1CCOC1)c1c(C)noc1C ZINC000131559435 383833916 /nfs/dbraw/zinc/83/39/16/383833916.db2.gz LSMILFBMAWTRQK-MNOVXSKESA-N 0 3 224.304 2.121 10 0 BEAEHN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(N)=O ZINC000035138722 383835117 /nfs/dbraw/zinc/83/51/17/383835117.db2.gz KYZODSVXKZPITE-QWRGUYRKSA-N 0 3 242.322 2.364 10 0 BEAEHN CN[C@@H]1CCOc2c(Br)cccc21 ZINC000035654519 384089442 /nfs/dbraw/zinc/08/94/42/384089442.db2.gz NMAMDQFRRRJBPC-SECBINFHSA-N 0 3 242.116 2.492 10 0 BEAEHN Cc1ccc([C@@H](C)NC[C@H](O)COC(C)C)o1 ZINC000038097639 384069533 /nfs/dbraw/zinc/06/95/33/384069533.db2.gz BALNCZDQMVXALC-NEPJUHHUSA-N 0 3 241.331 2.025 10 0 BEAEHN CCc1ccc([C@H](O)CCN(C)C)cc1 ZINC000039101187 384102651 /nfs/dbraw/zinc/10/26/51/384102651.db2.gz LFPHJFLMDCHKFP-CYBMUJFWSA-N 0 3 207.317 2.234 10 0 BEAEHN COC(=O)c1coc([C@H](C)N[C@@H]2C[C@@H]2C)c1 ZINC000278683508 384105418 /nfs/dbraw/zinc/10/54/18/384105418.db2.gz JZXRRDNIZLODST-OYNCUSHFSA-N 0 3 223.272 2.125 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc([C@@H](C)O)s1 ZINC000290404964 384105484 /nfs/dbraw/zinc/10/54/84/384105484.db2.gz PRBVRDURQWBZDJ-KKZNHRDASA-N 0 3 240.372 2.475 10 0 BEAEHN COC(=O)c1coc([C@H](C)N[C@H]2C[C@@H]2C)c1 ZINC000278683507 384105877 /nfs/dbraw/zinc/10/58/77/384105877.db2.gz JZXRRDNIZLODST-NRPADANISA-N 0 3 223.272 2.125 10 0 BEAEHN CCC[C@@H]1NCc2sc(N)nc2[C@@H]1C ZINC000039109081 384106486 /nfs/dbraw/zinc/10/64/86/384106486.db2.gz ANZGPGIGZNKFSM-RQJHMYQMSA-N 0 3 211.334 2.101 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCN(C)C2=O)cc1C ZINC000116390561 384134146 /nfs/dbraw/zinc/13/41/46/384134146.db2.gz WXQGRMQGPPSJJK-TZMCWYRMSA-N 0 3 246.354 2.185 10 0 BEAEHN c1ccc2c(c1)ncnc2NCCN1CCCC1 ZINC000005771041 384129670 /nfs/dbraw/zinc/12/96/70/384129670.db2.gz XNXNHUUFUKLOMH-UHFFFAOYSA-N 0 3 242.326 2.138 10 0 BEAEHN C[C@@H]1OCC[C@@H]1N[C@@H](CN(C)C)c1ccccc1 ZINC000119933291 384318122 /nfs/dbraw/zinc/31/81/22/384318122.db2.gz QNQLIGWSIBXMCF-QEJZJMRPSA-N 0 3 248.370 2.056 10 0 BEAEHN Cc1nc(C)c(CN2CCC[C@@H](O)[C@@H]2C)s1 ZINC000295084347 384292040 /nfs/dbraw/zinc/29/20/40/384292040.db2.gz SIUGXTIDGLVHGR-GXSJLCMTSA-N 0 3 240.372 2.105 10 0 BEAEHN C[C@@H](NCCc1ccsc1)c1cnn(C)c1 ZINC000044500430 384338737 /nfs/dbraw/zinc/33/87/37/384338737.db2.gz JGUCTSUNAPYMSE-SNVBAGLBSA-N 0 3 235.356 2.375 10 0 BEAEHN C[C@@H]1C[C@H](N[C@@H](CN(C)C)c2ccccc2)CO1 ZINC000401961354 384344429 /nfs/dbraw/zinc/34/44/29/384344429.db2.gz WUALGIJVVNNWQF-SNPRPXQTSA-N 0 3 248.370 2.056 10 0 BEAEHN CCC[C@H](C(=O)N[C@@H](C)CC(C)C)N(C)C ZINC000120315626 384345426 /nfs/dbraw/zinc/34/54/26/384345426.db2.gz JJDQVGWJFLGDFT-NWDGAFQWSA-N 0 3 228.380 2.268 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cncn1CC ZINC000300379374 384360908 /nfs/dbraw/zinc/36/09/08/384360908.db2.gz HGTMIZKKYZJFNZ-PWSUYJOCSA-N 0 3 207.321 2.181 10 0 BEAEHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1ccccc1F ZINC000134123086 384334183 /nfs/dbraw/zinc/33/41/83/384334183.db2.gz OLEZZXWKRHSMOL-AXFHLTTASA-N 0 3 225.307 2.493 10 0 BEAEHN N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000095829029 384400433 /nfs/dbraw/zinc/40/04/33/384400433.db2.gz BCHBZNOWZZEHFX-LLVKDONJSA-N 0 3 205.305 2.334 10 0 BEAEHN Cc1cnc(CCN2CCC[C@H](O)[C@H]2C)c(C)c1 ZINC000335642768 384420037 /nfs/dbraw/zinc/42/00/37/384420037.db2.gz IRWKMFXRWGETJU-HIFRSBDPSA-N 0 3 248.370 2.086 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000084228745 384379411 /nfs/dbraw/zinc/37/94/11/384379411.db2.gz AINNEUCYONJSHR-PSASIEDQSA-N 0 3 229.707 2.184 10 0 BEAEHN CCN(CCC(C)=O)Cc1ccccc1 ZINC000047979906 384470683 /nfs/dbraw/zinc/47/06/83/384470683.db2.gz DHFWUCYFGXQBPD-UHFFFAOYSA-N 0 3 205.301 2.488 10 0 BEAEHN CC(C)(C)CC(=O)N1CCCN(C2CC2)CC1 ZINC000149028439 384474877 /nfs/dbraw/zinc/47/48/77/384474877.db2.gz NMGUPMDNUUDQQA-UHFFFAOYSA-N 0 3 238.375 2.119 10 0 BEAEHN C[C@H](N)c1csc([C@H]2CCSC2)n1 ZINC000258273213 384551562 /nfs/dbraw/zinc/55/15/62/384551562.db2.gz YAHIJISSFQQXMM-BQBZGAKWSA-N 0 3 214.359 2.383 10 0 BEAEHN C[C@H](NCC(=O)NC(C)(C)C)c1ccccc1 ZINC000020035304 384570985 /nfs/dbraw/zinc/57/09/85/384570985.db2.gz IWTLESRMUUTRHX-NSHDSACASA-N 0 3 234.343 2.252 10 0 BEAEHN CCN(CCO)Cc1ccc2ccccc2n1 ZINC000049754823 384565161 /nfs/dbraw/zinc/56/51/61/384565161.db2.gz NDEIKACTSKDWGR-UHFFFAOYSA-N 0 3 230.311 2.049 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@H]2CCCNC2=O)cc1C ZINC000050394559 384621034 /nfs/dbraw/zinc/62/10/34/384621034.db2.gz JQBRJQMSLVJHLI-OCCSQVGLSA-N 0 3 246.354 2.233 10 0 BEAEHN Cc1nc(C[C@H]2CCCN(C(C)C)C2)no1 ZINC000103230661 384601460 /nfs/dbraw/zinc/60/14/60/384601460.db2.gz QDTYLFWPGZRPMD-LLVKDONJSA-N 0 3 223.320 2.041 10 0 BEAEHN CC(C)COc1ncc(CN)cc1Cl ZINC000051525551 384671647 /nfs/dbraw/zinc/67/16/47/384671647.db2.gz FNKSKYRUJIGQDY-UHFFFAOYSA-N 0 3 214.696 2.229 10 0 BEAEHN C[C@H]1Oc2c(cc(F)cc2Cl)[C@@H]1N ZINC000043635491 384725941 /nfs/dbraw/zinc/72/59/41/384725941.db2.gz HHIWXEYYJQJZBP-SPGJFGJESA-N 0 3 201.628 2.260 10 0 BEAEHN C[C@H]1Oc2ccc(Br)cc2[C@H]1N ZINC000043635065 384721606 /nfs/dbraw/zinc/72/16/06/384721606.db2.gz UKVOIDKDARSJLE-ANLVUFKYSA-N 0 3 228.089 2.230 10 0 BEAEHN Cn1ccc(CNCCC2=CCCC2)n1 ZINC000125980339 384722097 /nfs/dbraw/zinc/72/20/97/384722097.db2.gz ACOBMJJTEUPXPI-UHFFFAOYSA-N 0 3 205.305 2.010 10 0 BEAEHN Cc1ccc(F)cc1CN[C@H]1CCO[C@H]1C ZINC000163254117 384778771 /nfs/dbraw/zinc/77/87/71/384778771.db2.gz BCVLCIBXPCTKEW-GWCFXTLKSA-N 0 3 223.291 2.401 10 0 BEAEHN Cc1ccc(F)cc1CN[C@@H]1CCO[C@@H]1C ZINC000163253815 384778935 /nfs/dbraw/zinc/77/89/35/384778935.db2.gz BCVLCIBXPCTKEW-ZWNOBZJWSA-N 0 3 223.291 2.401 10 0 BEAEHN CN[C@H](C)C(=O)N(C)CCCCc1ccccc1 ZINC000054075256 384730662 /nfs/dbraw/zinc/73/06/62/384730662.db2.gz RSWYOELKZLOFQR-CYBMUJFWSA-N 0 3 248.370 2.076 10 0 BEAEHN CN(c1ccc(Cl)cc1CN)C1CC1 ZINC000052856648 384750056 /nfs/dbraw/zinc/75/00/56/384750056.db2.gz FDOLDHDFLFQFQA-UHFFFAOYSA-N 0 3 210.708 2.397 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000048775641 384786144 /nfs/dbraw/zinc/78/61/44/384786144.db2.gz LGVOEMIWRAXDSI-MRVPVSSYSA-N 0 3 226.707 2.195 10 0 BEAEHN CCN(C)Cc1cc(OC)ccc1OCOC ZINC000126306700 384786459 /nfs/dbraw/zinc/78/64/59/384786459.db2.gz GWNRTFMDLFHYEL-UHFFFAOYSA-N 0 3 239.315 2.130 10 0 BEAEHN C[C@@H]1C[C@H]1NCC1=Cc2ccccc2OC1 ZINC000105437103 384868031 /nfs/dbraw/zinc/86/80/31/384868031.db2.gz XMOMPUVJHGXNEG-ZWNOBZJWSA-N 0 3 215.296 2.460 10 0 BEAEHN COC(=O)[C@@H](CC(C)C)N1CCC2(CC2)CC1 ZINC000586768393 384913846 /nfs/dbraw/zinc/91/38/46/384913846.db2.gz BRPSVNDCGSTNHF-GFCCVEGCSA-N 0 3 239.359 2.450 10 0 BEAEHN c1ccc([C@H]2CC[C@@H](NC3COC3)C2)cc1 ZINC000367897340 384941070 /nfs/dbraw/zinc/94/10/70/384941070.db2.gz SIKZUOXPXUVYKH-QWHCGFSZSA-N 0 3 217.312 2.311 10 0 BEAEHN CCSCCN[C@H]1COc2ccccc21 ZINC000128969735 384969288 /nfs/dbraw/zinc/96/92/88/384969288.db2.gz HCYRTHIALLWZDY-NSHDSACASA-N 0 3 223.341 2.463 10 0 BEAEHN CCN1CCC[C@@H](NCc2cc(C)ns2)C1 ZINC000404424384 384992673 /nfs/dbraw/zinc/99/26/73/384992673.db2.gz WZICHOFVRDZSOV-LLVKDONJSA-N 0 3 239.388 2.025 10 0 BEAEHN NCc1ccc(OCc2ccccc2)nc1 ZINC000019258310 384993535 /nfs/dbraw/zinc/99/35/35/384993535.db2.gz ANVOAIJCTNWOGW-UHFFFAOYSA-N 0 3 214.268 2.119 10 0 BEAEHN CC[C@@H](N)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000050348681 385007328 /nfs/dbraw/zinc/00/73/28/385007328.db2.gz IIWLBHQUWIHFBA-LLVKDONJSA-N 0 3 226.364 2.008 10 0 BEAEHN Cc1ccc([C@@H](O)CN[C@H]2CCCSC2)o1 ZINC000128292159 385023785 /nfs/dbraw/zinc/02/37/85/385023785.db2.gz CGSPABJIUUYILS-QWRGUYRKSA-N 0 3 241.356 2.107 10 0 BEAEHN Cc1c[nH]c(CN2CCCC[C@@H]2C)c(C)c1=O ZINC000058823345 385025409 /nfs/dbraw/zinc/02/54/09/385025409.db2.gz WYIVTNVEIOLUON-NSHDSACASA-N 0 3 234.343 2.366 10 0 BEAEHN CO[C@H]1CCC12CCN(Cc1ccncc1)CC2 ZINC000257174325 385033178 /nfs/dbraw/zinc/03/31/78/385033178.db2.gz FQKVWLGGLKQPFP-AWEZNQCLSA-N 0 3 246.354 2.473 10 0 BEAEHN C[C@@H]1C[C@H](N[C@@H]2CCCNC2=O)c2ccccc21 ZINC000310849642 385195115 /nfs/dbraw/zinc/19/51/15/385195115.db2.gz OEFGPKZURMUFLU-HONMWMINSA-N 0 3 244.338 2.103 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cnn(C)c1 ZINC000090175237 385214177 /nfs/dbraw/zinc/21/41/77/385214177.db2.gz XDCOKJUGXUTLML-HOSYDEDBSA-N 0 3 207.321 2.259 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cnccn1 ZINC000090175862 385215542 /nfs/dbraw/zinc/21/55/42/385215542.db2.gz LQJWFZFHHIIHQK-AXFHLTTASA-N 0 3 205.305 2.316 10 0 BEAEHN Cc1cnn([C@H]2CCCN(CCCF)C2)c1 ZINC000130330846 385240970 /nfs/dbraw/zinc/24/09/70/385240970.db2.gz KIUFVZCMKJGVGT-LBPRGKRZSA-N 0 3 225.311 2.188 10 0 BEAEHN CO[C@H]1CCC12CCN(Cc1ccccn1)CC2 ZINC000257177193 385203464 /nfs/dbraw/zinc/20/34/64/385203464.db2.gz DLGDEATZDDDOBY-AWEZNQCLSA-N 0 3 246.354 2.473 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cnn(C(C)(C)C)c1 ZINC000052274751 385270330 /nfs/dbraw/zinc/27/03/30/385270330.db2.gz OAUUHIYPGBQYHF-KOLCDFICSA-N 0 3 207.321 2.136 10 0 BEAEHN Cc1ccc(F)cc1CN1CCC[C@H](O)[C@H]1C ZINC000294993603 385363668 /nfs/dbraw/zinc/36/36/68/385363668.db2.gz KXAAFMSPLSTIHN-RISCZKNCSA-N 0 3 237.318 2.479 10 0 BEAEHN Cn1cc([C@@H]2CCCN2C[C@@H]2CCC=CO2)cn1 ZINC000193879361 385416576 /nfs/dbraw/zinc/41/65/76/385416576.db2.gz GWGWRBPOIDZVSV-KBPBESRZSA-N 0 3 247.342 2.250 10 0 BEAEHN Cc1ccc(C)c(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170863367 385450786 /nfs/dbraw/zinc/45/07/86/385450786.db2.gz QVMALDOLYJHXHA-ZDUSSCGKSA-N 0 3 246.354 2.080 10 0 BEAEHN CC(C)c1ccc([C@@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000179059666 385438066 /nfs/dbraw/zinc/43/80/66/385438066.db2.gz FZDGGPYZWWRCAO-BXUZGUMPSA-N 0 3 246.354 2.349 10 0 BEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606419 385533038 /nfs/dbraw/zinc/53/30/38/385533038.db2.gz MSOAHCLTHBKMPR-KOLCDFICSA-N 0 3 248.355 2.005 10 0 BEAEHN CCOC(=O)c1cccc([C@@H]2CCN(C)C2)c1 ZINC000259524262 385546679 /nfs/dbraw/zinc/54/66/79/385546679.db2.gz PWEBFCFMPWUSRL-CYBMUJFWSA-N 0 3 233.311 2.282 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000054072743 385596143 /nfs/dbraw/zinc/59/61/43/385596143.db2.gz DUGXFOUJNZYZOF-RKDXNWHRSA-N 0 3 240.372 2.150 10 0 BEAEHN COc1ccccc1CN[C@H]1CCC[C@H](O)C1 ZINC000037164431 385597665 /nfs/dbraw/zinc/59/76/65/385597665.db2.gz BMUIEJDPPHFNOQ-STQMWFEESA-N 0 3 235.327 2.088 10 0 BEAEHN CC[C@@H](C)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000108160615 385616121 /nfs/dbraw/zinc/61/61/21/385616121.db2.gz HUFUYZHEZNBJSM-NEPJUHHUSA-N 0 3 226.364 2.022 10 0 BEAEHN c1nc(CNC[C@H]2CC23CCOCC3)cs1 ZINC000336650823 385620005 /nfs/dbraw/zinc/62/00/05/385620005.db2.gz DXIZOBHISFCNAY-SNVBAGLBSA-N 0 3 238.356 2.049 10 0 BEAEHN C[C@@H](NCc1nnc(C2CC2)n1C)C1CCCC1 ZINC000184615192 385684773 /nfs/dbraw/zinc/68/47/73/385684773.db2.gz DANGLUNKKHVJIM-SNVBAGLBSA-N 0 3 248.374 2.361 10 0 BEAEHN Cn1ccc(CN[C@@H]2CCC[C@@H]2CCF)n1 ZINC000309553255 385686761 /nfs/dbraw/zinc/68/67/61/385686761.db2.gz GRTTYHQXFWPVOD-ZYHUDNBSSA-N 0 3 225.311 2.038 10 0 BEAEHN Cc1nnc2n1CCC[C@@H]2N[C@H](C)C(C)C ZINC000309644668 385768096 /nfs/dbraw/zinc/76/80/96/385768096.db2.gz VPAHFVIJAALQRK-KOLCDFICSA-N 0 3 222.336 2.056 10 0 BEAEHN CC1(Nc2cc(N)ncc2Br)CC1 ZINC000307016348 385836377 /nfs/dbraw/zinc/83/63/77/385836377.db2.gz VAWVRNFVORBBLN-UHFFFAOYSA-N 0 3 242.120 2.391 10 0 BEAEHN CCOC(=O)c1ccccc1[C@H]1CCN(C)C1 ZINC000260465618 385867216 /nfs/dbraw/zinc/86/72/16/385867216.db2.gz RKLFFWDNPBIXSE-NSHDSACASA-N 0 3 233.311 2.282 10 0 BEAEHN CN[C@H]1COc2c1cc(F)cc2Cl ZINC000037901966 386104315 /nfs/dbraw/zinc/10/43/15/386104315.db2.gz MLDYIOLJWFRWOL-QMMMGPOBSA-N 0 3 201.628 2.132 10 0 BEAEHN C[C@H]1CC[C@](N)(c2ccns2)CS1 ZINC000575567814 386097595 /nfs/dbraw/zinc/09/75/95/386097595.db2.gz AGLAWHSYLLZHLI-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN NCc1cnn(Cc2ccc(Cl)s2)c1 ZINC000063169633 386329427 /nfs/dbraw/zinc/32/94/27/386329427.db2.gz JZUPFAXTYDZIPN-UHFFFAOYSA-N 0 3 227.720 2.105 10 0 BEAEHN Cc1nocc1CNCC1C[C@@H](C)O[C@H](C)C1 ZINC000339387130 386399363 /nfs/dbraw/zinc/39/93/63/386399363.db2.gz DXEPVVWLRNDIGU-NXEZZACHSA-N 0 3 238.331 2.276 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1c(C)nn(C)c1C ZINC000165032493 386495825 /nfs/dbraw/zinc/49/58/25/386495825.db2.gz GMLUKWFFMOCGNS-WCQYABFASA-N 0 3 221.348 2.315 10 0 BEAEHN CCC[C@H]1C[C@@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000165045641 386499445 /nfs/dbraw/zinc/49/94/45/386499445.db2.gz MKSSVAXMYQXDMT-QWRGUYRKSA-N 0 3 220.316 2.374 10 0 BEAEHN CCC[C@@H](C(=O)N(CCC)CCC)N(C)C ZINC000179332858 386637936 /nfs/dbraw/zinc/63/79/36/386637936.db2.gz VHZDITLWNMFURF-LBPRGKRZSA-N 0 3 228.380 2.365 10 0 BEAEHN c1cc2c(s1)CCC[C@@H]2NCCn1cncn1 ZINC000268807985 386665731 /nfs/dbraw/zinc/66/57/31/386665731.db2.gz IGUPTTMHEYRMFE-NSHDSACASA-N 0 3 248.355 2.007 10 0 BEAEHN Cc1ccc([C@H](C)NCCn2cncn2)c(C)c1 ZINC000268828664 386670613 /nfs/dbraw/zinc/67/06/13/386670613.db2.gz NVRVHZTVYQITIL-ZDUSSCGKSA-N 0 3 244.342 2.246 10 0 BEAEHN CSC1([C@H]2N[C@@H](C)CCS2)CC1 ZINC000307596086 386748680 /nfs/dbraw/zinc/74/86/80/386748680.db2.gz LZJHJVZPLVTSOR-YUMQZZPRSA-N 0 3 203.376 2.323 10 0 BEAEHN N[C@@]1(c2cncs2)CCCSCC1 ZINC000575451589 386802515 /nfs/dbraw/zinc/80/25/15/386802515.db2.gz ZZKWFKKHLXQEQG-VIFPVBQESA-N 0 3 214.359 2.214 10 0 BEAEHN FC(F)(F)CCN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334789878 386853758 /nfs/dbraw/zinc/85/37/58/386853758.db2.gz QNAGCGIRUPCMDO-ZJUUUORDSA-N 0 3 249.276 2.440 10 0 BEAEHN FC(F)(F)CCN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334789877 386854697 /nfs/dbraw/zinc/85/46/97/386854697.db2.gz QNAGCGIRUPCMDO-VHSXEESVSA-N 0 3 249.276 2.440 10 0 BEAEHN NCc1nccc2cc(F)c(F)c(F)c21 ZINC000082768818 386944363 /nfs/dbraw/zinc/94/43/63/386944363.db2.gz DTYKVKMFEHZRCA-UHFFFAOYSA-N 0 3 212.174 2.111 10 0 BEAEHN CC[C@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404656 386949703 /nfs/dbraw/zinc/94/97/03/386949703.db2.gz OMPAAYDBFXWUNV-WDEREUQCSA-N 0 3 209.289 2.187 10 0 BEAEHN O[C@@H]1CC[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000398695629 386951749 /nfs/dbraw/zinc/95/17/49/386951749.db2.gz DKNKAZTUBTVRGE-UMVBOHGHSA-N 0 3 249.329 2.419 10 0 BEAEHN OC[C@H]1Cc2occc2CN1CC1CCCC1 ZINC000575407931 387009976 /nfs/dbraw/zinc/00/99/76/387009976.db2.gz VARGZLYCYVCAPD-CYBMUJFWSA-N 0 3 235.327 2.189 10 0 BEAEHN Cc1nc(N2C[C@H]3CCC[C@@H](C2)N3)sc1C ZINC000334991976 387082128 /nfs/dbraw/zinc/08/21/28/387082128.db2.gz FTBXXZCDMFFCQX-PHIMTYICSA-N 0 3 237.372 2.091 10 0 BEAEHN COc1ccc(F)cc1[C@H](N)CC(F)F ZINC000575437691 387109197 /nfs/dbraw/zinc/10/91/97/387109197.db2.gz OYHRJXMVWXCXGI-MRVPVSSYSA-N 0 3 219.206 2.489 10 0 BEAEHN COc1cccc([C@H](N)CCF)c1F ZINC000575438813 387119812 /nfs/dbraw/zinc/11/98/12/387119812.db2.gz AZAXRGMWMWFEHS-MRVPVSSYSA-N 0 3 201.216 2.194 10 0 BEAEHN COc1ccc(F)cc1[C@H](N)CCF ZINC000575439404 387123371 /nfs/dbraw/zinc/12/33/71/387123371.db2.gz JEDOBOKBDUEILX-SECBINFHSA-N 0 3 201.216 2.194 10 0 BEAEHN CCC[C@@H](C(=O)N1CCC[C@@H](CC)C1)N(C)C ZINC000161543400 387241253 /nfs/dbraw/zinc/24/12/53/387241253.db2.gz NUXBVOFGWWVYDR-OLZOCXBDSA-N 0 3 240.391 2.365 10 0 BEAEHN CCC[C@@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000120926784 387285743 /nfs/dbraw/zinc/28/57/43/387285743.db2.gz DHTCRGMJZZQBJE-GFCCVEGCSA-N 0 3 240.391 2.413 10 0 BEAEHN C[C@@H](N[C@@H](C)c1nnc2ccccn21)[C@@H]1C[C@@H]1C ZINC000321875608 387309091 /nfs/dbraw/zinc/30/90/91/387309091.db2.gz IFNOXDMKDIZDQD-WHOHXGKFSA-N 0 3 244.342 2.424 10 0 BEAEHN CC(C)CCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121685991 387392336 /nfs/dbraw/zinc/39/23/36/387392336.db2.gz JFUZMOZVZCNZIQ-LLVKDONJSA-N 0 3 222.336 2.378 10 0 BEAEHN CCCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121742631 387403943 /nfs/dbraw/zinc/40/39/43/387403943.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 0 3 208.309 2.132 10 0 BEAEHN CCCC[N@@H+]1CCCC[C@@H]1c1nnc[n-]1 ZINC000121742631 387403947 /nfs/dbraw/zinc/40/39/47/387403947.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 0 3 208.309 2.132 10 0 BEAEHN CCCC[N@H+]1CCCC[C@@H]1c1nnc[n-]1 ZINC000121742631 387403950 /nfs/dbraw/zinc/40/39/50/387403950.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 0 3 208.309 2.132 10 0 BEAEHN CCC[C@H](C)N(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000037505086 387422392 /nfs/dbraw/zinc/42/23/92/387422392.db2.gz CZTWNRHXEFLALG-GXTWGEPZSA-N 0 3 248.370 2.203 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cc(C(N)=O)cs1 ZINC000124535894 387621948 /nfs/dbraw/zinc/62/19/48/387621948.db2.gz KMHYOVZPJHRSBB-LDYMZIIASA-N 0 3 238.356 2.125 10 0 BEAEHN Cc1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)cn1 ZINC000120684988 387572537 /nfs/dbraw/zinc/57/25/37/387572537.db2.gz JYFPNDYUGPUDDV-WCQYABFASA-N 0 3 231.343 2.427 10 0 BEAEHN COc1cc(C)nc(CNCCCSC)c1 ZINC000125963885 387668031 /nfs/dbraw/zinc/66/80/31/387668031.db2.gz ABPNAVGXDPGLEO-UHFFFAOYSA-N 0 3 240.372 2.241 10 0 BEAEHN c1nc(CN2CCCC23CCCC3)c[nH]1 ZINC000377039140 387689990 /nfs/dbraw/zinc/68/99/90/387689990.db2.gz FBNPJEAOCOIIPJ-UHFFFAOYSA-N 0 3 205.305 2.318 10 0 BEAEHN Cc1nc([C@]2(N)CCCSC2)cs1 ZINC000575554888 387692751 /nfs/dbraw/zinc/69/27/51/387692751.db2.gz HTSNLCFAWPPCGC-VIFPVBQESA-N 0 3 214.359 2.133 10 0 BEAEHN C[C@H]1CC[C@@](N)(c2cscn2)CS1 ZINC000575573669 387748836 /nfs/dbraw/zinc/74/88/36/387748836.db2.gz ZDIAEBLIUQPQCE-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN C/C=C/[C@H](N)c1cncc(Br)c1 ZINC000575564009 387707154 /nfs/dbraw/zinc/70/71/54/387707154.db2.gz ZHLNFCJBJRYHLM-HPOULIHZSA-N 0 3 227.105 2.420 10 0 BEAEHN CCC[C@H](NCC[C@@H](C)O)c1ccccn1 ZINC000127536890 387716136 /nfs/dbraw/zinc/71/61/36/387716136.db2.gz SNNGWOQYEKONAS-NEPJUHHUSA-N 0 3 222.332 2.283 10 0 BEAEHN Cc1ncc([C@@]2(N)CS[C@H](C)C2)s1 ZINC000575573107 387755603 /nfs/dbraw/zinc/75/56/03/387755603.db2.gz SRQJFTXUKPYILB-MUWHJKNJSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1ncc([C@@]2(N)CCS[C@H]2C)s1 ZINC000575571397 387739690 /nfs/dbraw/zinc/73/96/90/387739690.db2.gz UZKAKMVCDADOMK-IMTBSYHQSA-N 0 3 214.359 2.131 10 0 BEAEHN CCc1nnc(CN[C@@H]2CC3CCC2CC3)n1C ZINC000433001502 387847859 /nfs/dbraw/zinc/84/78/59/387847859.db2.gz IJUCFJRYQRWTOB-HTAVTVPLSA-N 0 3 248.374 2.046 10 0 BEAEHN CCCCNCc1nc2c(C)cccc2c(=O)[nH]1 ZINC000064875653 387884758 /nfs/dbraw/zinc/88/47/58/387884758.db2.gz FNVIOPJEFSHPBX-UHFFFAOYSA-N 0 3 245.326 2.121 10 0 BEAEHN Cc1csc(C2CCN(C[C@@H](C)O)CC2)n1 ZINC000194951393 387899692 /nfs/dbraw/zinc/89/96/92/387899692.db2.gz XTUMKSIEPACPPP-SNVBAGLBSA-N 0 3 240.372 2.012 10 0 BEAEHN Cc1occc1CN[C@H]1CCCC[C@@H]1CO ZINC000321014201 387930592 /nfs/dbraw/zinc/93/05/92/387930592.db2.gz UZJWFYOFFGUYBS-OLZOCXBDSA-N 0 3 223.316 2.229 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)C(C)C ZINC000245426696 387945057 /nfs/dbraw/zinc/94/50/57/387945057.db2.gz GKUMBEOFYGOSSD-OLZOCXBDSA-N 0 3 240.391 2.221 10 0 BEAEHN C[C@@H](N)c1nc2ccccc2n1C[C@H]1CCCO1 ZINC000053994560 387975917 /nfs/dbraw/zinc/97/59/17/387975917.db2.gz CUASCTAGWGEWSG-GHMZBOCLSA-N 0 3 245.326 2.235 10 0 BEAEHN CN(Cc1ccco1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245846740 387985547 /nfs/dbraw/zinc/98/55/47/387985547.db2.gz LJBXHOVVNONRET-HUUCEWRRSA-N 0 3 243.306 2.370 10 0 BEAEHN C[C@@H]1C[C@@H](CN[C@H]2CCn3ccnc32)C[C@H](C)O1 ZINC000453204962 388010243 /nfs/dbraw/zinc/01/02/43/388010243.db2.gz CEPCUUDCXKPSLD-RNJOBUHISA-N 0 3 249.358 2.121 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccccn1 ZINC000083704989 388060899 /nfs/dbraw/zinc/06/08/99/388060899.db2.gz QUZNMLQGXXSRGV-DZGCQCFKSA-N 0 3 245.370 2.140 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccccn1 ZINC000083704987 388061042 /nfs/dbraw/zinc/06/10/42/388061042.db2.gz QUZNMLQGXXSRGV-UKRRQHHQSA-N 0 3 245.370 2.140 10 0 BEAEHN C[C@@H]1CS[C@@H]([C@@H]2CCCSC2)N1 ZINC000306423123 388096371 /nfs/dbraw/zinc/09/63/71/388096371.db2.gz FDXOBJHBCMHHAE-HLTSFMKQSA-N 0 3 203.376 2.181 10 0 BEAEHN Cc1cnc(CN[C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000646089383 388140183 /nfs/dbraw/zinc/14/01/83/388140183.db2.gz QGLQDULVQDWTKH-QJPTWQEYSA-N 0 3 217.316 2.063 10 0 BEAEHN Cc1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)nn1C ZINC000646091360 388140550 /nfs/dbraw/zinc/14/05/50/388140550.db2.gz MPWOFOCSMOYPNS-CYZMBNFOSA-N 0 3 219.332 2.007 10 0 BEAEHN CC[C@H](NC1CC(F)(F)C1)c1cnn(C)c1 ZINC000277024452 388352430 /nfs/dbraw/zinc/35/24/30/388352430.db2.gz DPLOOYIEDOOJRC-JTQLQIEISA-N 0 3 229.274 2.259 10 0 BEAEHN Cc1nc2cccc(Cl)c2c(N)c1CO ZINC000038254275 388402822 /nfs/dbraw/zinc/40/28/22/388402822.db2.gz IGAHHWAESIOXFD-UHFFFAOYSA-N 0 3 222.675 2.271 10 0 BEAEHN CCc1ccc(CN[C@H]2CCO[C@H]2C)o1 ZINC000134244562 388475146 /nfs/dbraw/zinc/47/51/46/388475146.db2.gz JHHJYYSPTNLXSM-CABZTGNLSA-N 0 3 209.289 2.109 10 0 BEAEHN Cc1cc(C)cc(C(=O)[C@@H]2CCCN2)c1 ZINC000041211909 388434035 /nfs/dbraw/zinc/43/40/35/388434035.db2.gz KWDMQEFOUXVLNS-LBPRGKRZSA-N 0 3 203.285 2.238 10 0 BEAEHN CC[C@H](N[C@H](C)c1nncn1C)[C@H]1CC1(C)C ZINC000397653102 388487740 /nfs/dbraw/zinc/48/77/40/388487740.db2.gz BBBYWYLLJUXIAM-MXWKQRLJSA-N 0 3 236.363 2.290 10 0 BEAEHN COc1cc(F)cc(CN[C@@H]2C[C@H]2C)c1 ZINC000312285691 388511490 /nfs/dbraw/zinc/51/14/90/388511490.db2.gz QMIQSEBLLPILPN-PRHODGIISA-N 0 3 209.264 2.332 10 0 BEAEHN CN(C)Cc1ccnc(-c2cccc(N)c2)c1 ZINC000082294811 388587126 /nfs/dbraw/zinc/58/71/26/388587126.db2.gz VJUGWTWVRBDBLK-UHFFFAOYSA-N 0 3 227.311 2.392 10 0 BEAEHN CSCc1nc2c(s1)[C@@H](N)CCC2 ZINC000054496966 388594178 /nfs/dbraw/zinc/59/41/78/388594178.db2.gz JSUHDCGKDLCECV-LURJTMIESA-N 0 3 214.359 2.342 10 0 BEAEHN CSC[C@H](N)c1ccc(F)c(F)c1 ZINC000055237632 388597140 /nfs/dbraw/zinc/59/71/40/388597140.db2.gz AFWSRAAJOBFLMR-VIFPVBQESA-N 0 3 203.257 2.328 10 0 BEAEHN CC[C@H](NC(=O)[C@H](N)C(C)C)c1ccccc1 ZINC000051628401 388613390 /nfs/dbraw/zinc/61/33/90/388613390.db2.gz SJKGDKJVMHLPIT-QWHCGFSZSA-N 0 3 234.343 2.237 10 0 BEAEHN Cc1ccc([C@@H](C)NC[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000367688885 388566479 /nfs/dbraw/zinc/56/64/79/388566479.db2.gz NQAXWFVHQBWDSS-KKOKHZNYSA-N 0 3 221.300 2.131 10 0 BEAEHN C[C@]1(c2cccs2)C[C@@H]1CNC1COC1 ZINC000367908452 388567047 /nfs/dbraw/zinc/56/70/47/388567047.db2.gz BMPLEGDRBBYSHL-SKDRFNHKSA-N 0 3 223.341 2.014 10 0 BEAEHN C[C@H]1CCC[C@@H](NCc2ccn(C)n2)CC1 ZINC000124707459 388665609 /nfs/dbraw/zinc/66/56/09/388665609.db2.gz DCRQAWDEEQNBIU-NWDGAFQWSA-N 0 3 221.348 2.479 10 0 BEAEHN CCc1nnc(CN[C@@H]2CCCC2(C)C)n1C ZINC000191855307 388671274 /nfs/dbraw/zinc/67/12/74/388671274.db2.gz LNCIJWZCGHTNPH-SNVBAGLBSA-N 0 3 236.363 2.046 10 0 BEAEHN CCCn1cc(CNC[C@H](C)SC)cn1 ZINC000125810756 388677744 /nfs/dbraw/zinc/67/77/44/388677744.db2.gz VOJAOLHVVBOCGB-JTQLQIEISA-N 0 3 227.377 2.134 10 0 BEAEHN Cc1ncsc1[C@@H](N)[C@H]1CCSC1 ZINC000575453835 388752933 /nfs/dbraw/zinc/75/29/33/388752933.db2.gz IUCFNJLLDHWSLK-YUMQZZPRSA-N 0 3 214.359 2.204 10 0 BEAEHN CC(C)[C@@H](C)NC(=O)C1CCN(C2CC2)CC1 ZINC000195272958 388703222 /nfs/dbraw/zinc/70/32/22/388703222.db2.gz HATPRNLEJFJSOF-LLVKDONJSA-N 0 3 238.375 2.022 10 0 BEAEHN C[C@@H]1CCC[C@@H](CN2CCCNC(=O)[C@H]2C)C1 ZINC000249010906 388704187 /nfs/dbraw/zinc/70/41/87/388704187.db2.gz IOYAWHKWIKYSTE-JHJVBQTASA-N 0 3 238.375 2.023 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)OC(C)C ZINC000127114513 388714350 /nfs/dbraw/zinc/71/43/50/388714350.db2.gz UFPSUVUQFREKCT-LLVKDONJSA-N 0 3 230.352 2.097 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cnn(C)c1 ZINC000252732914 388778023 /nfs/dbraw/zinc/77/80/23/388778023.db2.gz XDCOKJUGXUTLML-FOGDFJRCSA-N 0 3 207.321 2.259 10 0 BEAEHN CC[C@@H](C)NCc1cn2c(n1)CCCC2 ZINC000268833484 389004799 /nfs/dbraw/zinc/00/47/99/389004799.db2.gz KQEDIXUXYDZCID-SNVBAGLBSA-N 0 3 207.321 2.108 10 0 BEAEHN Cc1cnc(CN[C@H]2CCCC[C@@H]2CO)s1 ZINC000274900469 389049643 /nfs/dbraw/zinc/04/96/43/389049643.db2.gz ICUPIVOHBGHWLC-MNOVXSKESA-N 0 3 240.372 2.092 10 0 BEAEHN CSCCN[C@H](CO)c1ccc(Cl)cc1 ZINC000273129225 389037557 /nfs/dbraw/zinc/03/75/57/389037557.db2.gz RDUKNJOBLDLXEN-LLVKDONJSA-N 0 3 245.775 2.326 10 0 BEAEHN Cc1ccc(CN)c(N2CCC(C)CC2)n1 ZINC000043395440 132352924 /nfs/dbraw/zinc/35/29/24/132352924.db2.gz HGBSRCSMVPYMQC-UHFFFAOYSA-N 0 3 219.332 2.085 10 0 BEAEHN C[C@@H]1C[C@@H](C)CN(c2cccc(CN)n2)C1 ZINC000051396421 132360025 /nfs/dbraw/zinc/36/00/25/132360025.db2.gz YDRMIQHGBKFYNB-GHMZBOCLSA-N 0 3 219.332 2.023 10 0 BEAEHN Cc1coc2c1cccc2N1CCNCC1 ZINC000013741468 132244227 /nfs/dbraw/zinc/24/42/27/132244227.db2.gz AOXVGMLNSHXMQL-UHFFFAOYSA-N 0 3 216.284 2.151 10 0 BEAEHN CC(C)(C)c1cc(=NN)nc(N2CCCCC2)[nH]1 ZINC000051152885 132300379 /nfs/dbraw/zinc/30/03/79/132300379.db2.gz FPCHYFAWAVKOPB-UHFFFAOYSA-N 0 3 249.362 2.050 10 0 BEAEHN CC[C@H](C)N1CCN(c2cccc(N)c2)CC1 ZINC000020265177 132330413 /nfs/dbraw/zinc/33/04/13/132330413.db2.gz DHBFMPPCHWETTO-LBPRGKRZSA-N 0 3 233.359 2.189 10 0 BEAEHN Cc1nc2ccc(N3CCNCC3)cc2s1 ZINC000031894490 132334602 /nfs/dbraw/zinc/33/46/02/132334602.db2.gz ZARQIGFFAZUXJY-UHFFFAOYSA-N 0 3 233.340 2.014 10 0 BEAEHN C[C@@H]1CNCCN1c1cccc(Cl)c1 ZINC000033606559 132336238 /nfs/dbraw/zinc/33/62/38/132336238.db2.gz KPPRCTGPPHBIJY-SECBINFHSA-N 0 3 210.708 2.138 10 0 BEAEHN C[C@@H]1COCCN1c1cccc(Cl)c1CN ZINC000035777876 132339304 /nfs/dbraw/zinc/33/93/04/132339304.db2.gz RGYNLDDLWQUSRB-SECBINFHSA-N 0 3 240.734 2.024 10 0 BEAEHN C[C@H]1COCCN1c1ccccc1CNC1CC1 ZINC000035777768 132339430 /nfs/dbraw/zinc/33/94/30/132339430.db2.gz XYFVGBDNIFGMPU-LBPRGKRZSA-N 0 3 246.354 2.164 10 0 BEAEHN C[C@H]1CNCCN1c1ccc(Cl)c(F)c1 ZINC000035994143 132340090 /nfs/dbraw/zinc/34/00/90/132340090.db2.gz VNFJVUAMNMWJRT-QMMMGPOBSA-N 0 3 228.698 2.277 10 0 BEAEHN CCn1ccc2c1cccc2N1CCNCC1 ZINC000039102892 132350354 /nfs/dbraw/zinc/35/03/54/132350354.db2.gz RJNBEDAGIQODEK-UHFFFAOYSA-N 0 3 229.327 2.071 10 0 BEAEHN CN1c2ccccc2[C@H](N[C@H]2CC2(C)C)CC1=O ZINC000045117711 132354618 /nfs/dbraw/zinc/35/46/18/132354618.db2.gz KYXXRDJWYPIYAZ-YPMHNXCESA-N 0 3 244.338 2.482 10 0 BEAEHN CC[C@H]1CCCN(c2cccc(CN)n2)C1 ZINC000051396972 132360340 /nfs/dbraw/zinc/36/03/40/132360340.db2.gz QZQBAPWKSQXOAL-NSHDSACASA-N 0 3 219.332 2.167 10 0 BEAEHN CCNCc1cccnc1N1CCCCC1 ZINC000051435994 132360929 /nfs/dbraw/zinc/36/09/29/132360929.db2.gz DNMAGCPDVABTIT-UHFFFAOYSA-N 0 3 219.332 2.181 10 0 BEAEHN CC[C@H]1CCCN(c2ccnc(CNC)c2)C1 ZINC000051445923 132361313 /nfs/dbraw/zinc/36/13/13/132361313.db2.gz OKSQNPGNBLNPOT-LBPRGKRZSA-N 0 3 233.359 2.427 10 0 BEAEHN C[C@@H]1CCN(c2cccc(CN)n2)[C@H](C)C1 ZINC000051748727 132361823 /nfs/dbraw/zinc/36/18/23/132361823.db2.gz IZUQMNWJDOLBRD-GHMZBOCLSA-N 0 3 219.332 2.165 10 0 BEAEHN CC[C@H]1CCCCN1c1ccnc(C(=N)N)c1 ZINC000061814063 132387116 /nfs/dbraw/zinc/38/71/16/132387116.db2.gz TWNMLBDEBXDIOG-JTQLQIEISA-N 0 3 232.331 2.135 10 0 BEAEHN CO[C@@H]1COC[C@@H]1N1CCC2(CCCC2)CC1 ZINC000336188774 134122339 /nfs/dbraw/zinc/12/23/39/134122339.db2.gz ALGVPAIDXYGIMC-QWHCGFSZSA-N 0 3 239.359 2.056 10 0 BEAEHN Cn1ccnc1CNCCCC1CCCC1 ZINC000218212601 134252658 /nfs/dbraw/zinc/25/26/58/134252658.db2.gz KJSMSFSJYITNCZ-UHFFFAOYSA-N 0 3 221.348 2.480 10 0 BEAEHN CCC(CC)C(=O)N(C)C[C@H]1CCCN1CC ZINC000176974539 134295240 /nfs/dbraw/zinc/29/52/40/134295240.db2.gz XVVVAOLIFXSLFZ-CYBMUJFWSA-N 0 3 240.391 2.365 10 0 BEAEHN C[C@@H](N[C@@H](C)C1CCC1)c1nnc2n1CCCC2 ZINC000178075023 134303129 /nfs/dbraw/zinc/30/31/29/134303129.db2.gz DWZNCKRENSNTLC-WDEREUQCSA-N 0 3 248.374 2.454 10 0 BEAEHN O=C1CCCCN1C1CCN(C2CCC2)CC1 ZINC000179581500 134321880 /nfs/dbraw/zinc/32/18/80/134321880.db2.gz GGTVZECZWNNYIM-UHFFFAOYSA-N 0 3 236.359 2.016 10 0 BEAEHN c1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c[nH]1 ZINC000179855188 134324308 /nfs/dbraw/zinc/32/43/08/134324308.db2.gz UZYGSNDQGGFKJH-LBPRGKRZSA-N 0 3 230.315 2.117 10 0 BEAEHN CC(C)n1cc(CN[C@@H](C)[C@@H]2CCCO2)cn1 ZINC000226240969 134362021 /nfs/dbraw/zinc/36/20/21/134362021.db2.gz CSYMIXWSBXVSHQ-AAEUAGOBSA-N 0 3 237.347 2.121 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccno1 ZINC000227599922 134387283 /nfs/dbraw/zinc/38/72/83/134387283.db2.gz HDNXWJMKSMZNLL-CHWSQXEVSA-N 0 3 249.358 2.123 10 0 BEAEHN CCC(=O)CCN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000248960130 135028055 /nfs/dbraw/zinc/02/80/55/135028055.db2.gz BWXYLWPEXUFDFJ-JSGCOSHPSA-N 0 3 249.358 2.135 10 0 BEAEHN CC[C@@H]1CC[C@@H](N[C@H](C)c2nnc3n2CCC3)C1 ZINC000251772863 135076203 /nfs/dbraw/zinc/07/62/03/135076203.db2.gz WDNSBQPYMYLMRW-IJLUTSLNSA-N 0 3 248.374 2.454 10 0 BEAEHN COc1ccccc1CN(C)[C@H]1CCC[C@H]1O ZINC000252393279 135088088 /nfs/dbraw/zinc/08/80/88/135088088.db2.gz YRZGTTZBANNEMK-QWHCGFSZSA-N 0 3 235.327 2.040 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCSC ZINC000086929615 135102481 /nfs/dbraw/zinc/10/24/81/135102481.db2.gz PSSMYUISDWGELX-CHWSQXEVSA-N 0 3 242.432 2.298 10 0 BEAEHN COC(=O)[C@@H]1CCCCCN1C1CCCC1 ZINC000259565821 135143127 /nfs/dbraw/zinc/14/31/27/135143127.db2.gz ABOVDRCRODFQAV-LBPRGKRZSA-N 0 3 225.332 2.347 10 0 BEAEHN CCO[C@@H]1C[C@H](NC2COC2)C12CCCCC2 ZINC000094710076 135616437 /nfs/dbraw/zinc/61/64/37/135616437.db2.gz MQPRFZHQCYLRCW-QWHCGFSZSA-N 0 3 239.359 2.103 10 0 BEAEHN CCc1nnc(CN[C@@H]2CCC[C@H]2CC)n1C ZINC000348149134 136039851 /nfs/dbraw/zinc/03/98/51/136039851.db2.gz IZAZXXNNNJQIIT-GHMZBOCLSA-N 0 3 236.363 2.046 10 0 BEAEHN CCN1CCC[C@@H](Nc2ccnc(C(C)C)n2)C1 ZINC000110261067 397903530 /nfs/dbraw/zinc/90/35/30/397903530.db2.gz ZHAACOMKQPQQGC-GFCCVEGCSA-N 0 3 248.374 2.496 10 0 BEAEHN Clc1cc(Cl)cc(C2=NCCN2)c1 ZINC000307180848 398011333 /nfs/dbraw/zinc/01/13/33/398011333.db2.gz LVJMQCVEULXSNK-UHFFFAOYSA-N 0 3 215.083 2.343 10 0 BEAEHN CC[C@H](NC(=O)[C@@H](C)NC)c1ccc(C)cc1 ZINC000054073808 398025175 /nfs/dbraw/zinc/02/51/75/398025175.db2.gz SCRHVSNQQYYRNA-YPMHNXCESA-N 0 3 234.343 2.170 10 0 BEAEHN N[C@@H](c1cscn1)[C@H]1CCCCS1 ZINC000307127181 397983974 /nfs/dbraw/zinc/98/39/74/397983974.db2.gz IRHOFRDXSZGBEX-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN COC(=O)CCCN1CCC[C@H]1c1ccco1 ZINC000116404763 398089507 /nfs/dbraw/zinc/08/95/07/398089507.db2.gz LGXCJMXCZJIMIZ-NSHDSACASA-N 0 3 237.299 2.370 10 0 BEAEHN Cc1cc(Br)cc2c1CNCC2 ZINC000090225781 177722156 /nfs/dbraw/zinc/72/21/56/177722156.db2.gz CISXTPCBPUYQGO-UHFFFAOYSA-N 0 3 226.117 2.403 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1ccc(F)cc1F ZINC000658350115 487591056 /nfs/dbraw/zinc/59/10/56/487591056.db2.gz BFISABPZVWBSNI-FKTRJACZSA-N 0 3 241.281 2.386 10 0 BEAEHN Brc1csc([C@@H]2CNCO2)c1 ZINC000082547306 166105701 /nfs/dbraw/zinc/10/57/01/166105701.db2.gz WBOAHZAYHKAJGJ-LURJTMIESA-N 0 3 234.118 2.129 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC(C2CCCC2)CC1 ZINC000655440459 410264318 /nfs/dbraw/zinc/26/43/18/410264318.db2.gz UAIMZXOFAGPXMX-LLVKDONJSA-N 0 3 238.375 2.023 10 0 BEAEHN CC(C)CNCc1ccc(N2CCC[C@H]2C)nn1 ZINC000051398894 167008427 /nfs/dbraw/zinc/00/84/27/167008427.db2.gz GMIDEWVWRULTJI-GFCCVEGCSA-N 0 3 248.374 2.211 10 0 BEAEHN CC(C)CNCc1ccnc(-c2ccncc2)n1 ZINC000054792367 167010634 /nfs/dbraw/zinc/01/06/34/167010634.db2.gz KODJRRPZALFQCY-UHFFFAOYSA-N 0 3 242.326 2.284 10 0 BEAEHN CC(C)N1C[C@@H](C)NCc2ccccc21 ZINC000062569227 167027930 /nfs/dbraw/zinc/02/79/30/167027930.db2.gz GXWWSOKQBIPKSB-LLVKDONJSA-N 0 3 204.317 2.393 10 0 BEAEHN CC(C)N1C[C@@H](C)[C@@H](N[C@@H](C)c2ccccn2)C1 ZINC000152428861 167028437 /nfs/dbraw/zinc/02/84/37/167028437.db2.gz UDSRNGOPELWAJJ-IPYPFGDCSA-N 0 3 247.386 2.461 10 0 BEAEHN CC(C)NC(=O)[C@@H](C)N[C@H](C)Cc1ccccc1 ZINC000062186840 167081207 /nfs/dbraw/zinc/08/12/07/167081207.db2.gz IWLSAQPJAKUDHU-CHWSQXEVSA-N 0 3 248.370 2.120 10 0 BEAEHN CC(C)N[C@@H](CO)c1cc2cc(O)ccc2o1 ZINC000082301350 167133148 /nfs/dbraw/zinc/13/31/48/167133148.db2.gz MMOAGMXLELZUGN-NSHDSACASA-N 0 3 235.283 2.170 10 0 BEAEHN CC(C)N[C@@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976286 167133841 /nfs/dbraw/zinc/13/38/41/167133841.db2.gz LYWXYOKRHNBEAV-BZNIZROVSA-N 0 3 241.331 2.376 10 0 BEAEHN CC(C)N[C@@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976290 167134588 /nfs/dbraw/zinc/13/45/88/167134588.db2.gz LYWXYOKRHNBEAV-BDJLRTHQSA-N 0 3 241.331 2.376 10 0 BEAEHN CC(C)OC(=O)Nc1ccc(F)c(CN)c1 ZINC000051635466 167165649 /nfs/dbraw/zinc/16/56/49/167165649.db2.gz PXOPWHUFMOMZAH-UHFFFAOYSA-N 0 3 226.251 2.241 10 0 BEAEHN CC(C)OCCO[C@H]1CCc2ccccc2[C@H]1N ZINC000020262997 167248027 /nfs/dbraw/zinc/24/80/27/167248027.db2.gz MKTMYXTZJXBILS-LSDHHAIUSA-N 0 3 249.354 2.443 10 0 BEAEHN CC(C)Oc1ccccc1CNC(C)(C)CO ZINC000026482976 167310464 /nfs/dbraw/zinc/31/04/64/167310464.db2.gz QZPOYGLKZXFNHE-UHFFFAOYSA-N 0 3 237.343 2.334 10 0 BEAEHN CC(C)[C@H]1OCC[C@H]1CNCc1ccco1 ZINC000165414808 167517434 /nfs/dbraw/zinc/51/74/34/167517434.db2.gz IWKOWKYFTDUKQG-WCQYABFASA-N 0 3 223.316 2.430 10 0 BEAEHN C[C@@H]1C[C@@H](O)CN(C/C=C\c2ccccc2)C1 ZINC000401967018 411183666 /nfs/dbraw/zinc/18/36/66/411183666.db2.gz VNYDPVWMHNWRRQ-VZFGUZNESA-N 0 3 231.339 2.403 10 0 BEAEHN CCC[C@@H]1CN(C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000660135007 411252694 /nfs/dbraw/zinc/25/26/94/411252694.db2.gz VHWWBDKCZDDZDU-BFHYXJOUSA-N 0 3 241.375 2.038 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1cc(F)ccc1F ZINC000658350404 411352158 /nfs/dbraw/zinc/35/21/58/411352158.db2.gz DMQCLUJUPRNFSI-SILCLGDVSA-N 0 3 241.281 2.386 10 0 BEAEHN CC[C@@H](NC(=O)C1(N)CC2(CCC2)C1)C(C)C ZINC000659249593 411381174 /nfs/dbraw/zinc/38/11/74/411381174.db2.gz DQGVSUMPTMBSLZ-LLVKDONJSA-N 0 3 238.375 2.199 10 0 BEAEHN CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1 ZINC000000001600 168199355 /nfs/dbraw/zinc/19/93/55/168199355.db2.gz ALFGKMXHOUSVAD-UHFFFAOYSA-N 0 3 247.338 2.335 10 0 world BEAEHN CCC(C)(C)NCC(=O)Nc1ccccc1 ZINC000020036030 168297915 /nfs/dbraw/zinc/29/79/15/168297915.db2.gz YHFLHSRJHCIFMV-UHFFFAOYSA-N 0 3 220.316 2.403 10 0 BEAEHN CC(C)n1ccnc1CNCC[C@@H]1CCCO1 ZINC000657303828 411457121 /nfs/dbraw/zinc/45/71/21/411457121.db2.gz HGNQRIGKKCTMEM-LBPRGKRZSA-N 0 3 237.347 2.123 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)C[C@H](C)O1 ZINC000659920938 411499224 /nfs/dbraw/zinc/49/92/24/411499224.db2.gz XYJDAOLZEGLXAA-REWJHTLYSA-N 0 3 241.375 2.037 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)C[C@@H](C)O1 ZINC000659920943 411499529 /nfs/dbraw/zinc/49/95/29/411499529.db2.gz XYJDAOLZEGLXAA-YIYPIFLZSA-N 0 3 241.375 2.037 10 0 BEAEHN CCN1CC[C@H](N[C@H](C)c2ccco2)C1 ZINC000328200513 170022212 /nfs/dbraw/zinc/02/22/12/170022212.db2.gz RUQXYLCEWICUMR-MNOVXSKESA-N 0 3 208.305 2.024 10 0 BEAEHN CCN1CCc2nc([C@H](N)C(C)C)sc2C1 ZINC000041059368 170025856 /nfs/dbraw/zinc/02/58/56/170025856.db2.gz ASBNXVMPSFMOHN-LLVKDONJSA-N 0 3 239.388 2.177 10 0 BEAEHN CCNC(=O)CCN[C@@H](C)c1ccc(F)cc1 ZINC000051758986 170053488 /nfs/dbraw/zinc/05/34/88/170053488.db2.gz XQWRDHCLKVZZGE-JTQLQIEISA-N 0 3 238.306 2.003 10 0 BEAEHN CCNC(=O)CN[C@@H](C)c1ccc(CC)cc1 ZINC000035138692 170064613 /nfs/dbraw/zinc/06/46/13/170064613.db2.gz CLOAAXHBQQXTCK-NSHDSACASA-N 0 3 234.343 2.036 10 0 BEAEHN CCNC(=O)CN[C@H](C)c1ccc(C)cc1C ZINC000036780429 170065406 /nfs/dbraw/zinc/06/54/06/170065406.db2.gz MSESWIDICVPPRX-GFCCVEGCSA-N 0 3 234.343 2.090 10 0 BEAEHN CCNC(=O)CN[C@H](C)c1cc(C)c(C)cc1C ZINC000036780254 170065744 /nfs/dbraw/zinc/06/57/44/170065744.db2.gz HLTCGZXPXYWOHP-CYBMUJFWSA-N 0 3 248.370 2.399 10 0 BEAEHN CCNCC(=O)c1ccc(OC)c(CC)c1 ZINC000071523191 170110194 /nfs/dbraw/zinc/11/01/94/170110194.db2.gz FZXCHIRTQWUJKB-UHFFFAOYSA-N 0 3 221.300 2.050 10 0 BEAEHN CCNCc1c[nH]c(CCc2ccccc2)n1 ZINC000062820997 170124253 /nfs/dbraw/zinc/12/42/53/170124253.db2.gz DCYXILGOYHKEJO-UHFFFAOYSA-N 0 3 229.327 2.304 10 0 BEAEHN CCNCc1cnc(CCc2ccccc2)[nH]1 ZINC000062820997 170124255 /nfs/dbraw/zinc/12/42/55/170124255.db2.gz DCYXILGOYHKEJO-UHFFFAOYSA-N 0 3 229.327 2.304 10 0 BEAEHN CCNCc1cc(-c2ccccc2F)n[nH]1 ZINC000050479024 170124404 /nfs/dbraw/zinc/12/44/04/170124404.db2.gz VYJAHUMUCFGKHR-UHFFFAOYSA-N 0 3 219.263 2.325 10 0 BEAEHN CCNCc1cc(F)c(-n2cccn2)c(F)c1 ZINC000062719472 170125148 /nfs/dbraw/zinc/12/51/48/170125148.db2.gz DSOQMAINCZXSGX-UHFFFAOYSA-N 0 3 237.253 2.260 10 0 BEAEHN CCNCc1cccc(N2CC[C@@H](C)C2)n1 ZINC000051448251 170128355 /nfs/dbraw/zinc/12/83/55/170128355.db2.gz RXHMWCJHNBMICX-LLVKDONJSA-N 0 3 219.332 2.037 10 0 BEAEHN CCNCc1ccnc(-c2ccc(F)cc2)n1 ZINC000054791318 170129735 /nfs/dbraw/zinc/12/97/35/170129735.db2.gz ULDYVANDRAKVQX-UHFFFAOYSA-N 0 3 231.274 2.392 10 0 BEAEHN CCNCc1cnn(-c2cccc(C)c2)c1 ZINC000040932322 170130491 /nfs/dbraw/zinc/13/04/91/170130491.db2.gz QJNODDSDDZINJZ-UHFFFAOYSA-N 0 3 215.300 2.290 10 0 BEAEHN CCNCc1cnoc1-c1ccccc1 ZINC000042188667 170130688 /nfs/dbraw/zinc/13/06/88/170130688.db2.gz DDWABLBMZFITOL-UHFFFAOYSA-N 0 3 202.257 2.451 10 0 BEAEHN CCNCc1nc2cc(C)c(C)cc2[nH]1 ZINC000045206638 170131745 /nfs/dbraw/zinc/13/17/45/170131745.db2.gz DPYWAEPWGZSINO-UHFFFAOYSA-N 0 3 203.289 2.289 10 0 BEAEHN CCNCc1sc(-c2ncccn2)nc1C ZINC000052330335 170132429 /nfs/dbraw/zinc/13/24/29/170132429.db2.gz DADIEKRJHASKJA-UHFFFAOYSA-N 0 3 234.328 2.018 10 0 BEAEHN CCN[C@@H](C)c1cc2c(cc1F)NC(=O)CC2 ZINC000035571778 170141146 /nfs/dbraw/zinc/14/11/46/170141146.db2.gz UGTFJIONUUUCEV-QMMMGPOBSA-N 0 3 236.290 2.381 10 0 BEAEHN CCN[C@@H](C)c1cnn(-c2ccccn2)c1C ZINC000040932709 170142827 /nfs/dbraw/zinc/14/28/27/170142827.db2.gz ZFEACAKNIYGUNP-JTQLQIEISA-N 0 3 230.315 2.246 10 0 BEAEHN CCN[C@@H](C)c1nc2c(cccc2F)[nH]1 ZINC000062366093 170143153 /nfs/dbraw/zinc/14/31/53/170143153.db2.gz YGCAJUNWJPGMNK-ZETCQYMHSA-N 0 3 207.252 2.373 10 0 BEAEHN CCN[C@@H](CO)c1cc(C(C)C)ccc1OC ZINC000071548119 170145346 /nfs/dbraw/zinc/14/53/46/170145346.db2.gz IMQOQQXNIFOALE-ZDUSSCGKSA-N 0 3 237.343 2.462 10 0 BEAEHN CCN[C@H](c1cnn(C)c1)c1ccc(C)cc1 ZINC000035556140 170147913 /nfs/dbraw/zinc/14/79/13/170147913.db2.gz XETBMNLARORATK-AWEZNQCLSA-N 0 3 229.327 2.427 10 0 BEAEHN CCN[C@@H](c1ccsc1)c1cnn(C)c1 ZINC000035555450 170149807 /nfs/dbraw/zinc/14/98/07/170149807.db2.gz BAZPMCHFQPFXLR-NSHDSACASA-N 0 3 221.329 2.181 10 0 BEAEHN CCN[C@@H]1CCOc2ccc(CCOC)cc21 ZINC000035657663 170152817 /nfs/dbraw/zinc/15/28/17/170152817.db2.gz IZSHEDLANUZETO-CYBMUJFWSA-N 0 3 235.327 2.309 10 0 BEAEHN CCN[C@@H]1CCOc2cc(OC)cc(OC)c21 ZINC000036204571 170153249 /nfs/dbraw/zinc/15/32/49/170153249.db2.gz SCSCDCBETVCELE-SNVBAGLBSA-N 0 3 237.299 2.137 10 0 BEAEHN CCN[C@@H]1CC[S@@](=O)c2c(C)cc(C)cc21 ZINC000040974641 170154330 /nfs/dbraw/zinc/15/43/30/170154330.db2.gz UCRWJDFIRPRYKE-WBMJQRKESA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@@H]1c2cc(C)cc(OC)c2O[C@@H]1C ZINC000043633318 170155068 /nfs/dbraw/zinc/15/50/68/170155068.db2.gz DDVMHIOJKIOQAZ-SKDRFNHKSA-N 0 3 221.300 2.435 10 0 BEAEHN CCN[C@@H]1c2cc(C)cc(OC)c2O[C@H]1C ZINC000043633320 170155372 /nfs/dbraw/zinc/15/53/72/170155372.db2.gz DDVMHIOJKIOQAZ-CABZTGNLSA-N 0 3 221.300 2.435 10 0 BEAEHN CCN[C@H](C(N)=O)c1csc2ccccc21 ZINC000054464929 170155926 /nfs/dbraw/zinc/15/59/26/170155926.db2.gz JXWAHKOWYFFBHC-NSHDSACASA-N 0 3 234.324 2.037 10 0 BEAEHN CCN[C@H](C)c1ccc(F)cc1OCCCO ZINC000062746735 170159595 /nfs/dbraw/zinc/15/95/95/170159595.db2.gz LGFQTGBCRHCMMX-SNVBAGLBSA-N 0 3 241.306 2.257 10 0 BEAEHN CCN[C@H](c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000035542421 170164034 /nfs/dbraw/zinc/16/40/34/170164034.db2.gz WPOMMKNOIMVUGT-LSDHHAIUSA-N 0 3 247.338 2.451 10 0 BEAEHN CCN[C@H](c1nc(C)cs1)[C@H]1CCOC1 ZINC000041061047 170164722 /nfs/dbraw/zinc/16/47/22/170164722.db2.gz KYJIKLBERHWDNE-UWVGGRQHSA-N 0 3 226.345 2.139 10 0 BEAEHN CCN[C@H]1CCN(CCC2CCCCC2)C1=O ZINC000049648878 170166390 /nfs/dbraw/zinc/16/63/90/170166390.db2.gz ZNIIKXAUISQCTQ-ZDUSSCGKSA-N 0 3 238.375 2.167 10 0 BEAEHN CCN[C@H]1CCN([C@H]2CCCC[C@@H]2CC)C1=O ZINC000049649020 170167428 /nfs/dbraw/zinc/16/74/28/170167428.db2.gz QKWBCDYCIHZWSZ-AVGNSLFASA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@H]1CCOc2cc(F)cc(F)c21 ZINC000054931974 170168884 /nfs/dbraw/zinc/16/88/84/170168884.db2.gz UIYLYLYCDMNWNB-VIFPVBQESA-N 0 3 213.227 2.398 10 0 BEAEHN CCN[C@H]1COc2c1cccc2Br ZINC000035654536 170168921 /nfs/dbraw/zinc/16/89/21/170168921.db2.gz IOKLBDAWJDGNMH-VIFPVBQESA-N 0 3 242.116 2.492 10 0 BEAEHN CCNc1nc(CN)cc2ccccc21 ZINC000082639015 170176182 /nfs/dbraw/zinc/17/61/82/170176182.db2.gz VFZWBAURVKYUNH-UHFFFAOYSA-N 0 3 201.273 2.125 10 0 BEAEHN CCOC(=O)N[C@H](CN)c1cc(C)ccc1C ZINC000049669965 170243209 /nfs/dbraw/zinc/24/32/09/170243209.db2.gz YDRNOMGECKCPST-GFCCVEGCSA-N 0 3 236.315 2.049 10 0 BEAEHN CCOC1CC(N[C@H]2COc3ccccc32)C1 ZINC000124491510 170330713 /nfs/dbraw/zinc/33/07/13/170330713.db2.gz MTHYKEHFHSKHHM-XIVSLSHWSA-N 0 3 233.311 2.277 10 0 BEAEHN CCOCCN(C)Cc1cccc2c1NCC2 ZINC000130588695 170390229 /nfs/dbraw/zinc/39/02/29/170390229.db2.gz XKCLDPKUZAWBPQ-UHFFFAOYSA-N 0 3 234.343 2.123 10 0 BEAEHN CCOCCN(C)Cc1cc(C)c(O)c(C)c1 ZINC000211641251 170390339 /nfs/dbraw/zinc/39/03/39/170390339.db2.gz JLLZAJMWQNPLQW-UHFFFAOYSA-N 0 3 237.343 2.477 10 0 BEAEHN CCOCCN(CC)Cc1ccccc1N ZINC000035364610 170396013 /nfs/dbraw/zinc/39/60/13/170396013.db2.gz UDWDCUBOPCBKFG-UHFFFAOYSA-N 0 3 222.332 2.127 10 0 BEAEHN CCOCCN1CCC[C@H](c2nccs2)C1 ZINC000195441586 170399619 /nfs/dbraw/zinc/39/96/19/170399619.db2.gz ZYUAOZOZRSRUCS-NSHDSACASA-N 0 3 240.372 2.359 10 0 BEAEHN Cc1c(CN[C@@]2(C)CC2(C)C)cnn1C ZINC000657761655 411591743 /nfs/dbraw/zinc/59/17/43/411591743.db2.gz QKYNNFZSQJUYTF-LBPRGKRZSA-N 0 3 207.321 2.007 10 0 BEAEHN C[C@H]1C[C@@H]1c1ccc(CNC2CC(CO)C2)o1 ZINC000657808997 411601732 /nfs/dbraw/zinc/60/17/32/411601732.db2.gz RPPTUIAXLLWNOS-YUVKLTJASA-N 0 3 235.327 2.264 10 0 BEAEHN C[C@@H]1C[C@H]1c1ccc(CNC2CC(CO)C2)o1 ZINC000657808998 411601824 /nfs/dbraw/zinc/60/18/24/411601824.db2.gz RPPTUIAXLLWNOS-ZUYNKMSQSA-N 0 3 235.327 2.264 10 0 BEAEHN Cc1nc(CN[C@@H]2CCC[C@H]3C[C@H]32)co1 ZINC000660905190 411667400 /nfs/dbraw/zinc/66/74/00/411667400.db2.gz VXJKYVQPPFRKRK-MVWJERBFSA-N 0 3 206.289 2.261 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1ccno1 ZINC000300404209 171099597 /nfs/dbraw/zinc/09/95/97/171099597.db2.gz HDNXWJMKSMZNLL-OLZOCXBDSA-N 0 3 249.358 2.123 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccc(F)cc2F)CN1 ZINC000036672812 171114092 /nfs/dbraw/zinc/11/40/92/171114092.db2.gz IVHMXKMVADTHSY-SKDRFNHKSA-N 0 3 227.254 2.404 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1cccc(F)c1 ZINC000119399084 171178344 /nfs/dbraw/zinc/17/83/44/171178344.db2.gz FEOIESCLPUMDPC-CYBMUJFWSA-N 0 3 225.307 2.419 10 0 BEAEHN CC[C@@](C)(O)CN1CCc2ccc(F)cc2C1 ZINC000123685662 171179979 /nfs/dbraw/zinc/17/99/79/171179979.db2.gz PPHSXTAGSVWOHM-CQSZACIVSA-N 0 3 237.318 2.345 10 0 BEAEHN CC[C@@](C)(O)CN[C@H]1CCc2c1cccc2O ZINC000087012054 171185425 /nfs/dbraw/zinc/18/54/25/171185425.db2.gz VMRSNQLNODYRSL-GXTWGEPZSA-N 0 3 235.327 2.130 10 0 BEAEHN CC[C@@](CO)(NC)c1ccc(Cl)cc1 ZINC000038120976 171193071 /nfs/dbraw/zinc/19/30/71/171193071.db2.gz VDFYFCBQVDNBOH-NSHDSACASA-N 0 3 213.708 2.157 10 0 BEAEHN CC[C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000097044664 171253953 /nfs/dbraw/zinc/25/39/53/171253953.db2.gz AYMTYFLCEWPTPS-GXTWGEPZSA-N 0 3 248.370 2.452 10 0 BEAEHN CC[C@H](C)CN(C)[C@@H](CN)c1ccccn1 ZINC000037172763 171273719 /nfs/dbraw/zinc/27/37/19/171273719.db2.gz BJQIGFVVAOFRKM-AAEUAGOBSA-N 0 3 221.348 2.059 10 0 BEAEHN CC[C@H](C)CNCc1ccc(C(N)=O)cc1F ZINC000054472357 171285834 /nfs/dbraw/zinc/28/58/34/171285834.db2.gz DZTUYSCJMHJAAP-VIFPVBQESA-N 0 3 238.306 2.060 10 0 BEAEHN CC[C@H](C)CN[C@@H]1COc2cc(O)ccc21 ZINC000054467345 171287293 /nfs/dbraw/zinc/28/72/93/171287293.db2.gz XZKFGOKGEWXBHS-JOYOIKCWSA-N 0 3 221.300 2.461 10 0 BEAEHN CC[C@H](C)N(C)c1nc2sccn2c1CN ZINC000035430207 171309433 /nfs/dbraw/zinc/30/94/33/171309433.db2.gz ZBSHXCMQSLPTBQ-QMMMGPOBSA-N 0 3 238.360 2.089 10 0 BEAEHN CC[C@H](C)N[C@H](C(N)=O)c1ccc(C)c(C)c1 ZINC000038065109 171348101 /nfs/dbraw/zinc/34/81/01/171348101.db2.gz HFJPLJPQDRAFQV-AAEUAGOBSA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@H](C)N[C@H]1COc2cc(O)ccc21 ZINC000019882710 171348559 /nfs/dbraw/zinc/34/85/59/171348559.db2.gz RUQFRMFGYJYARF-KWQFWETISA-N 0 3 207.273 2.214 10 0 BEAEHN CC[C@H](C)N[C@](C(N)=O)(c1ccccc1)C(C)C ZINC000038065795 171348978 /nfs/dbraw/zinc/34/89/78/171348978.db2.gz VLPGCNQNTWSSBQ-WFASDCNBSA-N 0 3 248.370 2.411 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nnc(C)n1C(C)C ZINC000042030895 171397195 /nfs/dbraw/zinc/39/71/95/171397195.db2.gz FQMPABBMVMOZJU-WPRPVWTQSA-N 0 3 210.325 2.213 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1N(C)C ZINC000037508897 171396536 /nfs/dbraw/zinc/39/65/36/171396536.db2.gz VOCHYOUOBFIMHK-GWCFXTLKSA-N 0 3 249.358 2.065 10 0 BEAEHN CC[C@H](CO)N[C@H]1CSCc2ccccc21 ZINC000037239014 171453621 /nfs/dbraw/zinc/45/36/21/171453621.db2.gz FXYWCOIDKQEHIC-YPMHNXCESA-N 0 3 237.368 2.335 10 0 BEAEHN CC[C@H](N)c1nnc2ccc(C(F)(F)F)cn21 ZINC000035411330 171492356 /nfs/dbraw/zinc/49/23/56/171492356.db2.gz XDIGDISJDVUHHH-ZETCQYMHSA-N 0 3 244.220 2.158 10 0 BEAEHN CCC1(CC)CCCN(C(=O)[C@@H](C)NC)C1 ZINC000662690364 412272047 /nfs/dbraw/zinc/27/20/47/412272047.db2.gz BSKAAOPJROFGHJ-LLVKDONJSA-N 0 3 226.364 2.023 10 0 BEAEHN CCC[C@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662712558 412279599 /nfs/dbraw/zinc/27/95/99/412279599.db2.gz GEXRKYIIOAMJEQ-STQMWFEESA-N 0 3 238.375 2.153 10 0 BEAEHN CC[C@H]1CCCCN1C(=O)C1(N)CCCC1 ZINC000037479448 171604889 /nfs/dbraw/zinc/60/48/89/171604889.db2.gz IOVMIYLAAGZEHK-NSHDSACASA-N 0 3 224.348 2.049 10 0 BEAEHN CCC[C@H](N)C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000662627231 412247546 /nfs/dbraw/zinc/24/75/46/412247546.db2.gz CQBREQHWQQDIEC-LOWDOPEQSA-N 0 3 240.391 2.302 10 0 BEAEHN CCC[C@H](N)C(=O)N[C@@H](C)C(C)(C)CC ZINC000662855911 412325558 /nfs/dbraw/zinc/32/55/58/412325558.db2.gz XALAEBUTSGWIJL-UWVGGRQHSA-N 0 3 214.353 2.055 10 0 BEAEHN CCc1cc([C@@H](CO)NC(C)C)ccc1OC ZINC000071548272 171774174 /nfs/dbraw/zinc/77/41/74/171774174.db2.gz ARMHQJMYBQHPCD-CYBMUJFWSA-N 0 3 237.343 2.289 10 0 BEAEHN CCc1ccc(CNC(=O)[C@H](N)C(C)(C)C)cc1 ZINC000083379049 171803439 /nfs/dbraw/zinc/80/34/39/171803439.db2.gz CJMSDBZRNZCPLG-ZDUSSCGKSA-N 0 3 248.370 2.239 10 0 BEAEHN CCc1ccc([C@@H](C)NCC[C@@H](C)O)o1 ZINC000119090664 171830098 /nfs/dbraw/zinc/83/00/98/171830098.db2.gz MJDLNEFDPOAGNS-NXEZZACHSA-N 0 3 211.305 2.264 10 0 BEAEHN CCc1ccc([C@@H](N)Cn2ccc(=O)cc2)cc1 ZINC000061627911 171833893 /nfs/dbraw/zinc/83/38/93/171833893.db2.gz CXLDHRUAESRWMX-HNNXBMFYSA-N 0 3 242.322 2.111 10 0 BEAEHN CCc1nc([C@@H]2CCCO2)sc1CNC ZINC000082423928 172003856 /nfs/dbraw/zinc/00/38/56/172003856.db2.gz HMMGEBRFKCLMIX-VIFPVBQESA-N 0 3 226.345 2.276 10 0 BEAEHN CCc1ncc(CN[C@@H](C)[C@H]2CCCO2)s1 ZINC000037923980 172019378 /nfs/dbraw/zinc/01/93/78/172019378.db2.gz SPOWXRVNTRRUTL-GXSJLCMTSA-N 0 3 240.372 2.363 10 0 BEAEHN CCc1ncc2c(n1)CC(C)(C)C[C@H]2N ZINC000050094199 172023720 /nfs/dbraw/zinc/02/37/20/172023720.db2.gz JQAJYNXTFFOUSJ-SECBINFHSA-N 0 3 205.305 2.011 10 0 BEAEHN CCn1cc([C@H](N)c2ccccc2F)cn1 ZINC000062774609 172199376 /nfs/dbraw/zinc/19/93/76/172199376.db2.gz DKHGEFCOOCCLDD-LBPRGKRZSA-N 0 3 219.263 2.090 10 0 BEAEHN CCn1nc(C)c([C@@H](C)NC2CC2)c1C ZINC000045166812 172248800 /nfs/dbraw/zinc/24/88/00/172248800.db2.gz QGISATWMHUTRPE-MRVPVSSYSA-N 0 3 207.321 2.333 10 0 BEAEHN CN(C)CCNCc1cc(Cl)ccc1F ZINC000083357729 172466227 /nfs/dbraw/zinc/46/62/27/172466227.db2.gz LISZOVKFVCJSFI-UHFFFAOYSA-N 0 3 230.714 2.130 10 0 BEAEHN CN(C)C[C@H](N)c1cc(Br)cs1 ZINC000071563974 172493234 /nfs/dbraw/zinc/49/32/34/172493234.db2.gz UFASRXZESVPFTP-ZETCQYMHSA-N 0 3 249.177 2.072 10 0 BEAEHN CN(C)[C@H](CN)c1cc(Br)cs1 ZINC000020475246 172532841 /nfs/dbraw/zinc/53/28/41/172532841.db2.gz DFVZHPFKTNYCQJ-SSDOTTSWSA-N 0 3 249.177 2.072 10 0 BEAEHN CN1CCC[C@@H]1CNc1ncnc2ccccc21 ZINC000049099951 173032914 /nfs/dbraw/zinc/03/29/14/173032914.db2.gz NWCFLQPUDWLRDP-LLVKDONJSA-N 0 3 242.326 2.136 10 0 BEAEHN CN1CCC[C@H](COc2ccc(N)cc2F)C1 ZINC000020352222 173042312 /nfs/dbraw/zinc/04/23/12/173042312.db2.gz IBILAMKTKFUTNM-JTQLQIEISA-N 0 3 238.306 2.129 10 0 BEAEHN CN1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000040672717 173046468 /nfs/dbraw/zinc/04/64/68/173046468.db2.gz SMOKSFPNVPYPEQ-VIFPVBQESA-N 0 3 228.723 2.117 10 0 BEAEHN CN1CCN(CC/C=C\c2ccccc2)CC1 ZINC000026296509 173080869 /nfs/dbraw/zinc/08/08/69/173080869.db2.gz SXILFPQESHGEGQ-UITAMQMPSA-N 0 3 230.355 2.337 10 0 BEAEHN CN1CC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000042548198 173125968 /nfs/dbraw/zinc/12/59/68/173125968.db2.gz XPAJPGDKQJKODY-GFCCVEGCSA-N 0 3 227.311 2.351 10 0 BEAEHN CN1CC[C@@H](Nc2cc(F)c(F)c(F)c2)C1 ZINC000061989927 173126199 /nfs/dbraw/zinc/12/61/99/173126199.db2.gz ZWPPDVMVOBGTPI-SSDOTTSWSA-N 0 3 230.233 2.220 10 0 BEAEHN CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000013779621 173156781 /nfs/dbraw/zinc/15/67/81/173156781.db2.gz MVNHJEXPDKVMJY-WCQYABFASA-N 0 3 239.746 2.368 10 0 BEAEHN CN1CCc2[nH]nc(-c3cccs3)c2C1 ZINC000082807615 173168367 /nfs/dbraw/zinc/16/83/67/173168367.db2.gz FLYCOZPYMOGPAM-UHFFFAOYSA-N 0 3 219.313 2.126 10 0 BEAEHN CN1CCc2c(sc(N)c2-c2ccccn2)C1 ZINC000058016783 173170906 /nfs/dbraw/zinc/17/09/06/173170906.db2.gz HEEOVDHPDKHYQG-UHFFFAOYSA-N 0 3 245.351 2.380 10 0 BEAEHN CNC(=O)CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000037207552 173277723 /nfs/dbraw/zinc/27/77/23/173277723.db2.gz WATKTPWJMQEQOK-NSHDSACASA-N 0 3 234.343 2.207 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(Cl)cc1F ZINC000061316115 173318249 /nfs/dbraw/zinc/31/82/49/173318249.db2.gz GUIMKUMHARYRIB-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cc(F)ccc1C ZINC000061300216 173318524 /nfs/dbraw/zinc/31/85/24/173318524.db2.gz OOJNHOUXYAXNHE-UHFFFAOYSA-N 0 3 224.279 2.071 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cccc(Cl)c1F ZINC000061300335 173319182 /nfs/dbraw/zinc/31/91/82/173319182.db2.gz GPUOAYJPSMYDJM-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CNC(C)(C)c1nc2c(cccc2F)[nH]1 ZINC000061149837 173320951 /nfs/dbraw/zinc/32/09/51/173320951.db2.gz ULRGBGKZCQJCMO-UHFFFAOYSA-N 0 3 207.252 2.157 10 0 BEAEHN CNCc1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000050478977 173384625 /nfs/dbraw/zinc/38/46/25/173384625.db2.gz FBDQKEPPVQQSCM-UHFFFAOYSA-N 0 3 215.300 2.413 10 0 BEAEHN CNCc1c(Cl)nc2scc(C)n12 ZINC000075424017 173384969 /nfs/dbraw/zinc/38/49/69/173384969.db2.gz ZDXAGLAWXUJNJP-UHFFFAOYSA-N 0 3 215.709 2.077 10 0 BEAEHN CNCc1c(N(C)CC(C)C)nc2ccccn21 ZINC000035449296 173385328 /nfs/dbraw/zinc/38/53/28/173385328.db2.gz YJVAQFRRSKQJTN-UHFFFAOYSA-N 0 3 246.358 2.146 10 0 BEAEHN CNCc1cc(-c2ccc(F)cc2F)n[nH]1 ZINC000050478987 173385397 /nfs/dbraw/zinc/38/53/97/173385397.db2.gz YNZIUSOQDAEEQK-UHFFFAOYSA-N 0 3 223.226 2.074 10 0 BEAEHN CNCc1cc(C)nc(Cc2cccc(F)c2)n1 ZINC000054830876 173385826 /nfs/dbraw/zinc/38/58/26/173385826.db2.gz YZTYXTSLQODLFU-UHFFFAOYSA-N 0 3 245.301 2.234 10 0 BEAEHN CNCc1cc(-c2ccccc2C)n[nH]1 ZINC000050478975 173386207 /nfs/dbraw/zinc/38/62/07/173386207.db2.gz PONJEESUHIGMAJ-UHFFFAOYSA-N 0 3 201.273 2.105 10 0 BEAEHN CNCc1cc(N(C)C)c2ccccc2n1 ZINC000062572048 173386801 /nfs/dbraw/zinc/38/68/01/173386801.db2.gz LOGWCTCJXZJSFV-UHFFFAOYSA-N 0 3 215.300 2.020 10 0 BEAEHN CNCc1ccc(-n2ncc3ccccc32)nc1 ZINC000051488103 173388532 /nfs/dbraw/zinc/38/85/32/173388532.db2.gz NSXHSSXMSQUFHL-UHFFFAOYSA-N 0 3 238.294 2.140 10 0 BEAEHN CNCc1ccc(OC[C@@H]2CC=CC[C@@H]2C)nn1 ZINC000051543063 173389058 /nfs/dbraw/zinc/38/90/58/173389058.db2.gz QRHZMADNJPTQCK-RYUDHWBXSA-N 0 3 247.342 2.177 10 0 BEAEHN CNCc1cccc(NC(=O)c2cscn2)c1 ZINC000062358575 173389782 /nfs/dbraw/zinc/38/97/82/173389782.db2.gz VHQJUZQDTHFCKO-UHFFFAOYSA-N 0 3 247.323 2.115 10 0 BEAEHN CNCc1cccc(NC(=O)c2ccco2)c1 ZINC000036282585 173389809 /nfs/dbraw/zinc/38/98/09/173389809.db2.gz BGVIJUGFVXQHGS-UHFFFAOYSA-N 0 3 230.267 2.251 10 0 BEAEHN CNCc1ccnc(-c2ccc(F)c(F)c2)n1 ZINC000054791204 173391324 /nfs/dbraw/zinc/39/13/24/173391324.db2.gz WNCJVLRUJVQITB-UHFFFAOYSA-N 0 3 235.237 2.141 10 0 BEAEHN CNCc1cnc(N2CCCC2)c(Cl)c1 ZINC000051399144 173392105 /nfs/dbraw/zinc/39/21/05/173392105.db2.gz IZYSYEJHUZZSSA-UHFFFAOYSA-N 0 3 225.723 2.055 10 0 BEAEHN CNCc1cnc(-c2ccc(C)cc2)nc1 ZINC000054855521 173392560 /nfs/dbraw/zinc/39/25/60/173392560.db2.gz JWNBFVZDAOZPGF-UHFFFAOYSA-N 0 3 213.284 2.171 10 0 BEAEHN CNCc1oc2ccccc2c1COC ZINC000052602285 173399400 /nfs/dbraw/zinc/39/94/00/173399400.db2.gz XAWPWAXARFNWNS-UHFFFAOYSA-N 0 3 205.257 2.299 10 0 BEAEHN CN[C@@H](C)c1cnc(-c2ccco2)nc1C ZINC000054962749 173419963 /nfs/dbraw/zinc/41/99/63/173419963.db2.gz UKKZEJSHIMNIHY-QMMMGPOBSA-N 0 3 217.272 2.325 10 0 BEAEHN CN[C@@H]1CCC[S@](=O)c2c(F)cc(F)cc21 ZINC000040977163 173434104 /nfs/dbraw/zinc/43/41/04/173434104.db2.gz HTOHZXFRLODXNM-QLJPJBMISA-N 0 3 245.294 2.127 10 0 BEAEHN CN[C@H](C[C@@H]1CCCO1)c1cncc(F)c1 ZINC000049576342 173453875 /nfs/dbraw/zinc/45/38/75/173453875.db2.gz DGJDFFWSNVOXRK-NWDGAFQWSA-N 0 3 224.279 2.050 10 0 BEAEHN COC(=O)CCCNCc1cccc(Cl)c1 ZINC000037395170 173542155 /nfs/dbraw/zinc/54/21/55/173542155.db2.gz ADEUAUCBJAGPIF-UHFFFAOYSA-N 0 3 241.718 2.383 10 0 BEAEHN COCCCOC[C@@H](N)c1ccc(C)cc1C ZINC000037747225 174254754 /nfs/dbraw/zinc/25/47/54/174254754.db2.gz DSFHVRNHEUDZIT-CQSZACIVSA-N 0 3 237.343 2.356 10 0 BEAEHN COCCN(C)CCCC(=O)c1ccccc1 ZINC000042459807 174275347 /nfs/dbraw/zinc/27/53/47/174275347.db2.gz CMLVVSURMWTRLF-UHFFFAOYSA-N 0 3 235.327 2.228 10 0 BEAEHN COCCN(c1ccccc1CN)[C@@H](C)C1CC1 ZINC000042613793 174302653 /nfs/dbraw/zinc/30/26/53/174302653.db2.gz ZSLNYGOIDILTMQ-LBPRGKRZSA-N 0 3 248.370 2.397 10 0 BEAEHN COCCOCc1cc(C)c(CNC(C)C)o1 ZINC000052628375 174364268 /nfs/dbraw/zinc/36/42/68/174364268.db2.gz IFEMDJRVYYJYEV-UHFFFAOYSA-N 0 3 241.331 2.249 10 0 BEAEHN COCC[C@@H](C)Cc1cc(C)cc(N)n1 ZINC000040917028 174377097 /nfs/dbraw/zinc/37/70/97/174377097.db2.gz VQQIZVJSKCUKHT-SECBINFHSA-N 0 3 208.305 2.187 10 0 BEAEHN COC[C@@H](CN[C@@H](C)c1cc(C)oc1C)OC ZINC000219297629 174472877 /nfs/dbraw/zinc/47/28/77/174472877.db2.gz VCMHNHSAABGLOY-CMPLNLGQSA-N 0 3 241.331 2.208 10 0 BEAEHN CO[C@H]1CN[C@@H](c2nc3ccc(C)cc3o2)C1 ZINC000035279064 174899570 /nfs/dbraw/zinc/89/95/70/174899570.db2.gz XDYIROJUOIYUKV-MWLCHTKSSA-N 0 3 232.283 2.186 10 0 BEAEHN COc1cc([C@H](C)N[C@@H](C)CCO)ccc1F ZINC000124022645 175015758 /nfs/dbraw/zinc/01/57/58/175015758.db2.gz IEBFSFQMOKVPMW-UWVGGRQHSA-N 0 3 241.306 2.256 10 0 BEAEHN COc1cc2c(c(OC)c1)[C@@H](C1CC1)NCC2 ZINC000052095650 175020696 /nfs/dbraw/zinc/02/06/96/175020696.db2.gz QOQLYRQKDQSEAX-CQSZACIVSA-N 0 3 233.311 2.301 10 0 BEAEHN COc1ccc(-c2ncc(CN)s2)cc1 ZINC000011760589 175040912 /nfs/dbraw/zinc/04/09/12/175040912.db2.gz UVUNPTUFONUBNC-UHFFFAOYSA-N 0 3 220.297 2.277 10 0 BEAEHN COc1ccc(-n2ncc(CN)c2C(C)C)cc1 ZINC000071560001 175044668 /nfs/dbraw/zinc/04/46/68/175044668.db2.gz NFXVATDSQBSJPK-UHFFFAOYSA-N 0 3 245.326 2.463 10 0 BEAEHN COc1ccc(Br)cc1[C@@H](C)N ZINC000003705505 175051396 /nfs/dbraw/zinc/05/13/96/175051396.db2.gz RLQGTCFNDMNKTC-ZCFIWIBFSA-N 0 3 230.105 2.477 10 0 BEAEHN COc1ccc(C(C)C)cc1CN[C@H](C)CO ZINC000098126253 175069285 /nfs/dbraw/zinc/06/92/85/175069285.db2.gz NBZRIVBITQINBF-LLVKDONJSA-N 0 3 237.343 2.289 10 0 BEAEHN COc1ccc(C(C)C)cc1CN[C@@H](C)CO ZINC000098126252 175069478 /nfs/dbraw/zinc/06/94/78/175069478.db2.gz NBZRIVBITQINBF-NSHDSACASA-N 0 3 237.343 2.289 10 0 BEAEHN COc1ccc(C)cc1CN1CCC[C@H](O)[C@@H]1C ZINC000335362759 175074495 /nfs/dbraw/zinc/07/44/95/175074495.db2.gz ZIPCFEMVAXTCPV-JSGCOSHPSA-N 0 3 249.354 2.349 10 0 BEAEHN COc1ccc(C)cc1N[C@H]1CCN(C)C1 ZINC000061984612 175078176 /nfs/dbraw/zinc/07/81/76/175078176.db2.gz GPDWXCOYVKNZON-NSHDSACASA-N 0 3 220.316 2.120 10 0 BEAEHN COc1ccc(CN)c(C(F)(F)F)c1OC ZINC000083106987 175097775 /nfs/dbraw/zinc/09/77/75/175097775.db2.gz JYFPTNZEXBIFLV-UHFFFAOYSA-N 0 3 235.205 2.181 10 0 BEAEHN COc1ccc(CNC[C@@H](C)O)cc1C(C)C ZINC000098126243 175107170 /nfs/dbraw/zinc/10/71/70/175107170.db2.gz VMYFTJPCKXWJRI-LLVKDONJSA-N 0 3 237.343 2.289 10 0 BEAEHN COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN1 ZINC000036164269 175120795 /nfs/dbraw/zinc/12/07/95/175120795.db2.gz DLVKBXDKLPNTMN-JTQLQIEISA-N 0 3 239.702 2.283 10 0 BEAEHN COc1ccc(Cl)cc1[C@H](O)CNC1CC1 ZINC000049830782 175123137 /nfs/dbraw/zinc/12/31/37/175123137.db2.gz OEHQWTMFCOTWJF-LLVKDONJSA-N 0 3 241.718 2.134 10 0 BEAEHN COc1ccc(Nc2ccncc2N)c(OC)c1 ZINC000020584797 175156523 /nfs/dbraw/zinc/15/65/23/175156523.db2.gz HIZWRZRAOVEHHN-UHFFFAOYSA-N 0 3 245.282 2.425 10 0 BEAEHN COc1ccc(Oc2ncccc2C(=N)N)cc1 ZINC000019434833 175174132 /nfs/dbraw/zinc/17/41/32/175174132.db2.gz CDSNQFXWOWEZGW-UHFFFAOYSA-N 0 3 243.266 2.167 10 0 BEAEHN COc1ccc([C@@H](N)c2ccc[nH]2)cc1 ZINC000011848738 175180215 /nfs/dbraw/zinc/18/02/15/175180215.db2.gz VCESYOUEWJYREN-GFCCVEGCSA-N 0 3 202.257 2.071 10 0 BEAEHN COc1ccc([C@@H](N)c2ccncc2)cc1OC ZINC000011737343 175180270 /nfs/dbraw/zinc/18/02/70/175180270.db2.gz MSDBLILGAMPUIT-AWEZNQCLSA-N 0 3 244.294 2.147 10 0 BEAEHN COc1ccc([C@@H](N)c2ccoc2)cc1 ZINC000035379616 175180299 /nfs/dbraw/zinc/18/02/99/175180299.db2.gz CVSQIUMXTUMYGT-GFCCVEGCSA-N 0 3 203.241 2.336 10 0 BEAEHN COc1ccc([C@@H]2CN(C(C)C)CCN2)cc1 ZINC000077369933 175183429 /nfs/dbraw/zinc/18/34/29/175183429.db2.gz ZMWMSZIGRQBQHB-AWEZNQCLSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccc([C@H](N)c2cccnc2)c(C)c1 ZINC000019972440 175192759 /nfs/dbraw/zinc/19/27/59/175192759.db2.gz JWHZPOFAOZEESF-CQSZACIVSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1ccc2c(c1)[C@@H](NC(C)C)CO2 ZINC000035652801 175214395 /nfs/dbraw/zinc/21/43/95/175214395.db2.gz YQZVOJIUYPZCRL-NSHDSACASA-N 0 3 207.273 2.127 10 0 BEAEHN COc1ccc2c(c1)nc([C@H]1CCCCN1)n2C ZINC000075869226 175219717 /nfs/dbraw/zinc/21/97/17/175219717.db2.gz AKKBPEHLGIVLQA-LLVKDONJSA-N 0 3 245.326 2.397 10 0 BEAEHN COc1cccc(-c2nc([C@H](C)N)c[nH]2)c1OC ZINC000082517116 175236581 /nfs/dbraw/zinc/23/65/81/175236581.db2.gz LJIIEIJFZKRJFI-QMMMGPOBSA-N 0 3 247.298 2.114 10 0 BEAEHN COc1cccc(C2(C(C)=O)CCN(C)CC2)c1 ZINC000071561811 175248476 /nfs/dbraw/zinc/24/84/76/175248476.db2.gz VNKOMIQGFQLSQT-UHFFFAOYSA-N 0 3 247.338 2.248 10 0 BEAEHN COc1cccc(CN)c1Oc1cc(C)ncn1 ZINC000011849438 175256391 /nfs/dbraw/zinc/25/63/91/175256391.db2.gz OKVQWKADLZGKOK-UHFFFAOYSA-N 0 3 245.282 2.045 10 0 BEAEHN COc1cccc(CN2CCC[C@@H](O)[C@@H]2C)c1 ZINC000295106496 175258339 /nfs/dbraw/zinc/25/83/39/175258339.db2.gz VOHPPNWFUOTSAT-SMDDNHRTSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1cccc(CNC2=N[C@@H](C)CS2)c1 ZINC000038078037 175263799 /nfs/dbraw/zinc/26/37/99/175263799.db2.gz OOGJCSJSDASYHU-VIFPVBQESA-N 0 3 236.340 2.276 10 0 BEAEHN COc1cccc([C@H](N)CN2CCC(C)CC2)c1 ZINC000019821404 175293918 /nfs/dbraw/zinc/29/39/18/175293918.db2.gz VLFULOARYAECEF-OAHLLOKOSA-N 0 3 248.370 2.427 10 0 BEAEHN COc1ccccc1-c1nc([C@H](C)N)c[nH]1 ZINC000082517048 175311167 /nfs/dbraw/zinc/31/11/67/175311167.db2.gz PTVCCQUBUZROIA-QMMMGPOBSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccccc1CNC1=N[C@@H](C)CS1 ZINC000035294396 175329240 /nfs/dbraw/zinc/32/92/40/175329240.db2.gz GVIUATJDCOTHIT-VIFPVBQESA-N 0 3 236.340 2.276 10 0 BEAEHN COc1ccccc1N(C)c1cccc(CN)n1 ZINC000051397446 175335493 /nfs/dbraw/zinc/33/54/93/175335493.db2.gz DKVNPMHDFGEIOS-UHFFFAOYSA-N 0 3 243.310 2.317 10 0 BEAEHN COc1ccccc1[C@@H](O)CN1CCC[C@H](C)C1 ZINC000044117530 175347867 /nfs/dbraw/zinc/34/78/67/175347867.db2.gz LEHSPWQFIXTSSW-JSGCOSHPSA-N 0 3 249.354 2.461 10 0 BEAEHN COc1ccccc1[C@H](CN)OCC(F)(F)F ZINC000043098946 175353608 /nfs/dbraw/zinc/35/36/08/175353608.db2.gz BLULTYLPORBGHZ-JTQLQIEISA-N 0 3 249.232 2.274 10 0 BEAEHN C[C@@H](c1ccc(Cl)s1)N1CC[C@@H](N)C1=O ZINC000049649065 176014293 /nfs/dbraw/zinc/01/42/93/176014293.db2.gz ADKXGVQTJWMXLM-NKWVEPMBSA-N 0 3 244.747 2.022 10 0 BEAEHN C[C@@H](c1ccc(N)cc1)N1CCSCC1 ZINC000040908760 176016232 /nfs/dbraw/zinc/01/62/32/176016232.db2.gz DIKOMBGMUWMJQU-JTQLQIEISA-N 0 3 222.357 2.379 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1NCc1ccncn1 ZINC000054788659 176081539 /nfs/dbraw/zinc/08/15/39/176081539.db2.gz JETFDLPEBCNVBU-PWSUYJOCSA-N 0 3 205.305 2.145 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1Oc1cccc(CN)n1 ZINC000051524760 176082990 /nfs/dbraw/zinc/08/29/90/176082990.db2.gz CPQYWYKPDVWPQP-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCN(CCNCc2ccco2)CC1 ZINC000104348995 176097647 /nfs/dbraw/zinc/09/76/47/176097647.db2.gz PVOUBOJBBMMGAY-CYBMUJFWSA-N 0 3 236.359 2.491 10 0 BEAEHN C[C@@H]1CCCN(Cc2csc(CN)n2)[C@@H]1C ZINC000052373376 176101574 /nfs/dbraw/zinc/10/15/74/176101574.db2.gz AEEQRUVKWMIWGF-NXEZZACHSA-N 0 3 239.388 2.222 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2)N1 ZINC000019425530 176113416 /nfs/dbraw/zinc/11/34/16/176113416.db2.gz YGXGPIQISVLDPM-SKDRFNHKSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@@H]1CCC[C@@H](Oc2ccnc(CN)c2)C1 ZINC000051542237 176125248 /nfs/dbraw/zinc/12/52/48/176125248.db2.gz LNQBBWZJLDAFQM-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@@H](Oc2ccc(CN)cn2)C1 ZINC000034958115 176125424 /nfs/dbraw/zinc/12/54/24/176125424.db2.gz HKRBUKILSDYFOM-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000042494732 176140318 /nfs/dbraw/zinc/14/03/18/176140318.db2.gz JIURMQFUUAPAMH-GRYCIOLGSA-N 0 3 240.391 2.397 10 0 BEAEHN C[C@@H]1CCN(c2ccc(F)cc2CN)C1 ZINC000040723621 176181881 /nfs/dbraw/zinc/18/18/81/176181881.db2.gz AAGUIYINHKETLK-SECBINFHSA-N 0 3 208.280 2.131 10 0 BEAEHN C[C@@H]1CCN[C@H](C(=O)NCCC2CCCC2)C1 ZINC000126478014 176187265 /nfs/dbraw/zinc/18/72/65/176187265.db2.gz XNCYOGVNXISGAT-YPMHNXCESA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCCCF ZINC000367211692 176323476 /nfs/dbraw/zinc/32/34/76/176323476.db2.gz MJRBMBDYQXSWDF-OLZOCXBDSA-N 0 3 228.355 2.295 10 0 BEAEHN C[C@@H]1CNC[C@@H](c2cccc(Cl)c2)O1 ZINC000032012620 176329153 /nfs/dbraw/zinc/32/91/53/176329153.db2.gz NEOAXIQXEJQMLV-KCJUWKMLSA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1COC[C@H](CCc2cccc(F)c2)N1 ZINC000071525002 176347416 /nfs/dbraw/zinc/34/74/16/176347416.db2.gz YJCLAYFHACVXAX-MFKMUULPSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@](N)(c1ccc(Cl)cc1)c1cncnc1 ZINC000052887673 176511610 /nfs/dbraw/zinc/51/16/10/176511610.db2.gz UXVHKQPFAHVGAQ-GFCCVEGCSA-N 0 3 233.702 2.352 10 0 BEAEHN C[C@H](CC1CC1)NC(=O)[C@@H]1NCCCC1(C)C ZINC000235424863 176612213 /nfs/dbraw/zinc/61/22/13/176612213.db2.gz YAYAZPVBDIRZTM-PWSUYJOCSA-N 0 3 238.375 2.069 10 0 BEAEHN C[C@H](N)c1csc(-c2ccccn2)n1 ZINC000011568393 176778595 /nfs/dbraw/zinc/77/85/95/176778595.db2.gz RXOODWNNEMUXJA-ZETCQYMHSA-N 0 3 205.286 2.225 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000313068480 487635058 /nfs/dbraw/zinc/63/50/58/487635058.db2.gz HENKEFQRDJJDSN-VXGBXAGGSA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@H](O)CCN(C)CCCC(=O)c1ccccc1 ZINC000135577061 176957818 /nfs/dbraw/zinc/95/78/18/176957818.db2.gz MSXNLWIDUBZOQY-ZDUSSCGKSA-N 0 3 249.354 2.352 10 0 BEAEHN C[C@H](O)c1ccc(OCCN2CCCC2)cc1 ZINC000035626263 177017157 /nfs/dbraw/zinc/01/71/57/177017157.db2.gz PWBCXTKPYWPUKB-LBPRGKRZSA-N 0 3 235.327 2.215 10 0 BEAEHN C[C@H]([C@@H](N)c1ccccc1)n1ccnc1 ZINC000023070822 177031236 /nfs/dbraw/zinc/03/12/36/177031236.db2.gz DCHONAQTARXODU-ZYHUDNBSSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@H](c1cccs1)N1CCC(O)CC1 ZINC000074147797 177048732 /nfs/dbraw/zinc/04/87/32/177048732.db2.gz ZROUISDTAVKFQP-SECBINFHSA-N 0 3 211.330 2.266 10 0 BEAEHN C[C@H]1CCCC[C@@H]1Oc1cc(CN)ccn1 ZINC000019398766 177084388 /nfs/dbraw/zinc/08/43/88/177084388.db2.gz JVKIQMWYPRUHMY-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCCC[C@@]1(NCc1ccccc1)C(N)=O ZINC000037941227 177085410 /nfs/dbraw/zinc/08/54/10/177085410.db2.gz PTJVKHBUKUARNV-WFASDCNBSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@H]1CCCN(CCNCc2ccco2)CC1 ZINC000104348999 177098370 /nfs/dbraw/zinc/09/83/70/177098370.db2.gz PVOUBOJBBMMGAY-ZDUSSCGKSA-N 0 3 236.359 2.491 10 0 BEAEHN C[C@H]1CCCN([C@@H](CN)c2ccco2)C1 ZINC000019260605 177104323 /nfs/dbraw/zinc/10/43/23/177104323.db2.gz JWZRFLWLNUNIKK-QWRGUYRKSA-N 0 3 208.305 2.011 10 0 BEAEHN C[C@@H]1[C@@H](C)CCCN1c1ncc(CN)s1 ZINC000054896210 177104788 /nfs/dbraw/zinc/10/47/88/177104788.db2.gz BPCPRHXBCPIKIE-DTWKUNHWSA-N 0 3 225.361 2.227 10 0 BEAEHN C[C@H]1CCCN1[C@@H](CN)c1ccc(F)c(F)c1 ZINC000037910426 177112193 /nfs/dbraw/zinc/11/21/93/177112193.db2.gz WIINAICUMDAIQJ-ZANVPECISA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N2CCc3ccccc32)N1 ZINC000019473947 177113073 /nfs/dbraw/zinc/11/30/73/177113073.db2.gz OKBDVQZEEQZMEZ-AAEUAGOBSA-N 0 3 244.338 2.106 10 0 BEAEHN C[C@@H](N)c1cnc(N2CCC[C@@H]2C)s1 ZINC000054863906 177113099 /nfs/dbraw/zinc/11/30/99/177113099.db2.gz FIQHMERAQBIHLL-JGVFFNPUSA-N 0 3 211.334 2.152 10 0 BEAEHN C[C@@H]1CCC[C@H](C)CN1CC(=O)NC(C)(C)C ZINC000125168583 177114872 /nfs/dbraw/zinc/11/48/72/177114872.db2.gz BRGVGINVVDYODH-NWDGAFQWSA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@H]1CCC[C@@](CO)(NCc2ccco2)C1 ZINC000053115449 177127870 /nfs/dbraw/zinc/12/78/70/177127870.db2.gz FKIFQNVIQXVQSR-WCQYABFASA-N 0 3 223.316 2.310 10 0 BEAEHN C[C@H]1CCN(c2ccc(F)cc2CN)C1 ZINC000040723624 177170945 /nfs/dbraw/zinc/17/09/45/177170945.db2.gz AAGUIYINHKETLK-VIFPVBQESA-N 0 3 208.280 2.131 10 0 BEAEHN C[C@@H](NC1=NC[C@H](C)S1)c1ccncc1 ZINC000035694052 177281744 /nfs/dbraw/zinc/28/17/44/177281744.db2.gz XGTFXGOXGXSQPR-DTWKUNHWSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@H]1C[C@@H]1CN(C)C(=O)Nc1cccc(CN)c1 ZINC000104416663 177342058 /nfs/dbraw/zinc/34/20/58/177342058.db2.gz AIIJLIARUHMICC-CMPLNLGQSA-N 0 3 247.342 2.265 10 0 BEAEHN C[C@H]1C[C@@H]1NCC(=O)Nc1ccccc1Cl ZINC000052287685 177350217 /nfs/dbraw/zinc/35/02/17/177350217.db2.gz WBAXTEHCQYOFQG-KWQFWETISA-N 0 3 238.718 2.277 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cn2cc(Cl)ccc2n1 ZINC000096543939 177386097 /nfs/dbraw/zinc/38/60/97/177386097.db2.gz SIIUOEUBYMJLQG-GZMMTYOYSA-N 0 3 235.718 2.486 10 0 BEAEHN C[C@H]1Cc2c(cccc2OC(F)F)CN1 ZINC000052095234 177388071 /nfs/dbraw/zinc/38/80/71/177388071.db2.gz WRTCBDLEGZVNRJ-ZETCQYMHSA-N 0 3 213.227 2.322 10 0 BEAEHN CCc1ccc(Cn2cc(C(C)(C)N)nn2)cc1 ZINC000070118727 487639323 /nfs/dbraw/zinc/63/93/23/487639323.db2.gz XVGLCBUKTHFIHU-UHFFFAOYSA-N 0 3 244.342 2.083 10 0 BEAEHN CCOc1ccccc1CN1C[C@@H](C)C[C@H](O)C1 ZINC000401571640 225171511 /nfs/dbraw/zinc/17/15/11/225171511.db2.gz FLYRIEMIXZZYBR-JSGCOSHPSA-N 0 3 249.354 2.288 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCCN(C)C2)o1 ZINC000051724709 487783834 /nfs/dbraw/zinc/78/38/34/487783834.db2.gz SAQTWMQJPIVYOG-LLVKDONJSA-N 0 3 222.332 2.026 10 0 BEAEHN CC(C)[C@H]1CNCCN1c1ccc(Cl)cn1 ZINC000083367688 487905040 /nfs/dbraw/zinc/90/50/40/487905040.db2.gz AYEQQIAHUIBGGF-LLVKDONJSA-N 0 3 239.750 2.169 10 0 BEAEHN CC(C)n1cncc1CNCC[C@@H]1CCCO1 ZINC000090208711 487924325 /nfs/dbraw/zinc/92/43/25/487924325.db2.gz VKTSQWHIOPPDOR-ZDUSSCGKSA-N 0 3 237.347 2.123 10 0 BEAEHN O[C@@H]1CCCC[C@H]1N[C@H]1CCOc2ccccc21 ZINC000229584672 487927784 /nfs/dbraw/zinc/92/77/84/487927784.db2.gz FACCUMLCBBAJBD-BFHYXJOUSA-N 0 3 247.338 2.403 10 0 BEAEHN COCCn1ccnc1[C@@H]1NCC12CCCCC2 ZINC000536953262 323960770 /nfs/dbraw/zinc/96/07/70/323960770.db2.gz GSXNRMNPCJKXKS-LBPRGKRZSA-N 0 3 249.358 2.124 10 0 BEAEHN C[C@H]1CN(CCC(=O)OC(C)(C)C)CCS1 ZINC000122514587 324047298 /nfs/dbraw/zinc/04/72/98/324047298.db2.gz PMMPUHWTCBTZBZ-JTQLQIEISA-N 0 3 245.388 2.156 10 0 BEAEHN Cn1c(CNC(C)(C)C)nc2ccccc21 ZINC000070162440 324996107 /nfs/dbraw/zinc/99/61/07/324996107.db2.gz FEYZLGUSPLWZQK-UHFFFAOYSA-N 0 3 217.316 2.461 10 0 BEAEHN C[C@H](NCC1(CCO)CCC1)c1ccoc1 ZINC000130982793 325106416 /nfs/dbraw/zinc/10/64/16/325106416.db2.gz CKWRXXPGSNFDCG-NSHDSACASA-N 0 3 223.316 2.483 10 0 BEAEHN CC(C)[C@H]1CCCC[C@@H]1NC(=O)CNC1CC1 ZINC000132141445 325201061 /nfs/dbraw/zinc/20/10/61/325201061.db2.gz YSAAMISNZSUTSY-OLZOCXBDSA-N 0 3 238.375 2.069 10 0 BEAEHN Cc1ccc(CN[C@H]2CCCC[C@@H]2CO)nc1 ZINC000134349561 325354924 /nfs/dbraw/zinc/35/49/24/325354924.db2.gz XDCOLQGWTCPNMU-OCCSQVGLSA-N 0 3 234.343 2.031 10 0 BEAEHN C[C@H](NCCc1cscn1)c1cncs1 ZINC000134854142 325379363 /nfs/dbraw/zinc/37/93/63/325379363.db2.gz ILKKQTWGMIMEFG-QMMMGPOBSA-N 0 3 239.369 2.493 10 0 BEAEHN C[C@H]1CC[C@@H](O)CN1Cc1ccsc1 ZINC000306939510 533718815 /nfs/dbraw/zinc/71/88/15/533718815.db2.gz GXOARPZSPXUDBP-GXSJLCMTSA-N 0 3 211.330 2.093 10 0 BEAEHN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)NC)cc1 ZINC000052395682 488055310 /nfs/dbraw/zinc/05/53/10/488055310.db2.gz XPFXLFUUKITHGT-GHMZBOCLSA-N 0 3 234.343 2.034 10 0 BEAEHN Cc1cnn(CCN[C@@H]2CCc3ccccc32)c1 ZINC000123950172 488078465 /nfs/dbraw/zinc/07/84/65/488078465.db2.gz DJSGGNSFTVGFSG-OAHLLOKOSA-N 0 3 241.338 2.469 10 0 BEAEHN Nc1ccc(-c2nc3c(s2)CNCC3)cc1 ZINC000075877845 488084214 /nfs/dbraw/zinc/08/42/14/488084214.db2.gz SEUPHEJBIVLUIA-UHFFFAOYSA-N 0 3 231.324 2.038 10 0 BEAEHN NCc1cccc(NC(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000667727184 488102371 /nfs/dbraw/zinc/10/23/71/488102371.db2.gz YSPDCRIXOLWVOK-DGCLKSJQSA-N 0 3 245.326 2.162 10 0 BEAEHN CC(C)[C@H](NC(=O)[C@]1(C)CCCCN1)C1CC1 ZINC000324195400 487554006 /nfs/dbraw/zinc/55/40/06/487554006.db2.gz XIMACSCRYXTBRY-JSGCOSHPSA-N 0 3 238.375 2.069 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)[C@H](C)CO1 ZINC000403857811 488140740 /nfs/dbraw/zinc/14/07/40/488140740.db2.gz VGJUOIJGDHQAMF-YIYPIFLZSA-N 0 3 241.375 2.037 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCCCC[C@H]2O)cn1 ZINC000062053011 487491421 /nfs/dbraw/zinc/49/14/21/487491421.db2.gz CMTOJPXPTXBGQQ-ZIAGYGMSSA-N 0 3 234.343 2.173 10 0 BEAEHN CC(C)C[C@@H]1CCN(Cc2cncnc2)C1 ZINC000124781694 490402936 /nfs/dbraw/zinc/40/29/36/490402936.db2.gz GQNIOFUENQTYAD-LBPRGKRZSA-N 0 3 219.332 2.345 10 0 BEAEHN COc1cc(C)nc(CNCCC2CC2)c1 ZINC000125965853 490475983 /nfs/dbraw/zinc/47/59/83/490475983.db2.gz MOEITXKCIMGMDW-UHFFFAOYSA-N 0 3 220.316 2.288 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1cncc(F)c1 ZINC000300412252 490559981 /nfs/dbraw/zinc/55/99/81/490559981.db2.gz SKILEEPJFKPODK-BIMULSAOSA-N 0 3 238.306 2.175 10 0 BEAEHN CCC[C@@H]1CCCN(Cc2cncnc2)C1 ZINC000131452953 490639296 /nfs/dbraw/zinc/63/92/96/490639296.db2.gz MWPXTTLPVTVBAD-GFCCVEGCSA-N 0 3 219.332 2.489 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccoc1 ZINC000227301182 491057069 /nfs/dbraw/zinc/05/70/69/491057069.db2.gz ZOIJDNSPYHECRJ-MVWJERBFSA-N 0 3 209.289 2.234 10 0 BEAEHN CCc1cc(N[C@@H]2CCCN(CC)C2)nc(C)n1 ZINC000088760213 491108315 /nfs/dbraw/zinc/10/83/15/491108315.db2.gz JFVYFQFGINYSHJ-CYBMUJFWSA-N 0 3 248.374 2.244 10 0 BEAEHN CCN1C[C@@H](C)[C@H](Nc2ncc(C)s2)C1 ZINC000309030407 491142626 /nfs/dbraw/zinc/14/26/26/491142626.db2.gz DHIZXVZRYWDFJG-PSASIEDQSA-N 0 3 225.361 2.204 10 0 BEAEHN CC[C@H]1CCNC2(CC(CF)(CF)C2)O1 ZINC000757138345 582517500 /nfs/dbraw/zinc/51/75/00/582517500.db2.gz BUIFEYBHURVOHP-VIFPVBQESA-N 0 3 219.275 2.190 10 0 BEAEHN FCC1(CF)CC2(C1)NC[C@H]1CCC[C@H]1O2 ZINC000757139167 582519935 /nfs/dbraw/zinc/51/99/35/582519935.db2.gz FRRTVLDELLINNE-NXEZZACHSA-N 0 3 231.286 2.190 10 0 BEAEHN CC(C)[C@H]1O[C@]2(CCSC2)NCC1(C)C ZINC000757143173 582523308 /nfs/dbraw/zinc/52/33/08/582523308.db2.gz MEMDGRCPBUHCCL-PWSUYJOCSA-N 0 3 229.389 2.490 10 0 BEAEHN CC(C)(C)[C@@H]1CN[C@]2(COC(C)(C)C2)OC1 ZINC000757148878 582532870 /nfs/dbraw/zinc/53/28/70/582532870.db2.gz OBKPNQBZWLFAFL-MFKMUULPSA-N 0 3 227.348 2.164 10 0 BEAEHN CCC1(CC)CCN[C@]2(COC(C)(C)C2)O1 ZINC000757150230 582534215 /nfs/dbraw/zinc/53/42/15/582534215.db2.gz XICMVVCJNYCKTN-ZDUSSCGKSA-N 0 3 227.348 2.450 10 0 BEAEHN CCO[C@H](CN)c1cscc1Cl ZINC000757166127 582548061 /nfs/dbraw/zinc/54/80/61/582548061.db2.gz UNAWAQJAYOJUHH-MRVPVSSYSA-N 0 3 205.710 2.438 10 0 BEAEHN C[C@@H]1Oc2ccc(C(F)(F)F)cc2[C@@H]1N ZINC000757176071 582552230 /nfs/dbraw/zinc/55/22/30/582552230.db2.gz ZIMGLRZZTDNXFQ-SSDLBLMSSA-N 0 3 217.190 2.486 10 0 BEAEHN CNCc1cc(N2CCC[C@@H](C)C2)ccn1 ZINC000051399934 536468922 /nfs/dbraw/zinc/46/89/22/536468922.db2.gz UEHJQANRDNAUFK-LLVKDONJSA-N 0 3 219.332 2.037 10 0 BEAEHN COC(CN1C[C@@H](C)[C@@H]1c1ccccc1)OC ZINC000248714410 536509083 /nfs/dbraw/zinc/50/90/83/536509083.db2.gz KDYBFBBPBPFDDT-BXUZGUMPSA-N 0 3 235.327 2.298 10 0 BEAEHN CCNCc1ccc(N2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000051435698 535478821 /nfs/dbraw/zinc/47/88/21/535478821.db2.gz IMBSJLRIEYLBIR-RYUDHWBXSA-N 0 3 248.374 2.068 10 0 BEAEHN CCN1CCC[C@@H](N[C@H](C)c2cccnc2)C1 ZINC000249613329 535541053 /nfs/dbraw/zinc/54/10/53/535541053.db2.gz JIIISOGSMPUZSM-TZMCWYRMSA-N 0 3 233.359 2.217 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCC(C)C ZINC000177027392 535544871 /nfs/dbraw/zinc/54/48/71/535544871.db2.gz CLLCTXQIFPUUAO-CYBMUJFWSA-N 0 3 240.391 2.365 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(C)(C)CC ZINC000177039681 535545374 /nfs/dbraw/zinc/54/53/74/535545374.db2.gz HIDHTVQONFGYNW-GFCCVEGCSA-N 0 3 240.391 2.365 10 0 BEAEHN CC[C@@H](NCCn1cncn1)c1cccs1 ZINC000167008399 535804369 /nfs/dbraw/zinc/80/43/69/535804369.db2.gz SEORCXXZXHPJEO-SNVBAGLBSA-N 0 3 236.344 2.081 10 0 BEAEHN CC[C@@]1(C)CCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000335976928 536044591 /nfs/dbraw/zinc/04/45/91/536044591.db2.gz XHTLBUGBFUDFSF-UONOGXRCSA-N 0 3 238.375 2.167 10 0 BEAEHN COC1(CN2CCO[C@@H]3CCCC[C@@H]32)CCC1 ZINC000336187007 536628985 /nfs/dbraw/zinc/62/89/85/536628985.db2.gz KQLRZAYCBRPOBX-QWHCGFSZSA-N 0 3 239.359 2.199 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccoc1 ZINC000247998917 566407579 /nfs/dbraw/zinc/40/75/79/566407579.db2.gz KEOVCKSRYQVWOG-GMXVVIOVSA-N 0 3 223.316 2.481 10 0 BEAEHN CC(C)[C@H]1CCC[C@@]2(C1)NCC1(COC1)CO2 ZINC000757138567 582517851 /nfs/dbraw/zinc/51/78/51/582517851.db2.gz CJONKLPZFGXVRM-GXTWGEPZSA-N 0 3 239.359 2.165 10 0 BEAEHN C1CCC2(CC1)CCO[C@@]1(CCCOC1)N2 ZINC000757140287 582520206 /nfs/dbraw/zinc/52/02/06/582520206.db2.gz AYBQRRKJTVONJZ-CYBMUJFWSA-N 0 3 225.332 2.206 10 0 BEAEHN COC(=O)[C@@H]1CC(C)(C)c2ccccc2[C@@H]1N ZINC000757140722 582521041 /nfs/dbraw/zinc/52/10/41/582521041.db2.gz OQWNOKDXVFBSIW-PWSUYJOCSA-N 0 3 233.311 2.157 10 0 BEAEHN CC(C)[C@H]1O[C@]2(COC(C)(C)C2)NCC12CC2 ZINC000757141098 582521306 /nfs/dbraw/zinc/52/13/06/582521306.db2.gz JJFDEMSLZHTIBY-BXUZGUMPSA-N 0 3 239.359 2.306 10 0 BEAEHN CC(C)[C@@H]1OC2(CCOCC2)NCC1(C)C ZINC000757144337 582524860 /nfs/dbraw/zinc/52/48/60/582524860.db2.gz GKJNDRUWOYEYHO-NSHDSACASA-N 0 3 227.348 2.164 10 0 BEAEHN CCC[C@H]1CCNC2(CCSCC2)O1 ZINC000757146718 582530358 /nfs/dbraw/zinc/53/03/58/582530358.db2.gz LCIINYRSSFWPIP-JTQLQIEISA-N 0 3 215.362 2.388 10 0 BEAEHN CC[C@H]1N[C@@H](Cc2ccccc2)CCO1 ZINC000757150184 582533783 /nfs/dbraw/zinc/53/37/83/582533783.db2.gz PFTNOMORYAEGSR-OLZOCXBDSA-N 0 3 205.301 2.344 10 0 BEAEHN COC[C@@H]1CCOC2(CCC(C)(C)CC2)N1 ZINC000757151330 582535492 /nfs/dbraw/zinc/53/54/92/582535492.db2.gz SKRUFPBUQRTNKR-NSHDSACASA-N 0 3 227.348 2.308 10 0 BEAEHN CC(C)(C)[C@@H]1CN[C@@]2(CCSC2)OC1 ZINC000757153829 582539012 /nfs/dbraw/zinc/53/90/12/582539012.db2.gz XWRRCTZSSGLIGK-KOLCDFICSA-N 0 3 215.362 2.102 10 0 BEAEHN Cc1cc(C[C@H](F)CN)ccc1Cl ZINC000757155409 582539637 /nfs/dbraw/zinc/53/96/37/582539637.db2.gz AZJFZGGVYKFQKF-VIFPVBQESA-N 0 3 201.672 2.488 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000229805798 582673476 /nfs/dbraw/zinc/67/34/76/582673476.db2.gz RDUUOJQXUZQLPW-CHWSQXEVSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC000229805815 582673650 /nfs/dbraw/zinc/67/36/50/582673650.db2.gz RDUUOJQXUZQLPW-STQMWFEESA-N 0 3 241.281 2.358 10 0 BEAEHN CC(C)c1nn(C(C)C)c2c1CCNC2 ZINC000257786539 582683424 /nfs/dbraw/zinc/68/34/24/582683424.db2.gz FFDXRTZPVCTFKI-UHFFFAOYSA-N 0 3 207.321 2.233 10 0 BEAEHN c1nc2c([nH]1)[C@H]([C@@H]1CC[C@@H]3C[C@@H]3C1)NCC2 ZINC000700030387 582747826 /nfs/dbraw/zinc/74/78/26/582747826.db2.gz OMRDIUBNCYJYPP-BFLSOPEQSA-N 0 3 217.316 2.033 10 0 BEAEHN C[C@H]1C[C@]2(CCO1)NCCc1sccc12 ZINC000397127295 583097290 /nfs/dbraw/zinc/09/72/90/583097290.db2.gz CIWWESKFAGSEGM-CABZTGNLSA-N 0 3 223.341 2.288 10 0 BEAEHN Cc1ccc(CNc2cc(C)nc(N)n2)cc1 ZINC000024761433 583217006 /nfs/dbraw/zinc/21/70/06/583217006.db2.gz IAHLAWHKNTTYTO-UHFFFAOYSA-N 0 3 228.299 2.288 10 0 BEAEHN COC(=O)/C(C)=C\CN1C[C@H](C)CC[C@@H]1C ZINC000214858303 584926334 /nfs/dbraw/zinc/92/63/34/584926334.db2.gz ZARQYBYEBZQYKC-GZXATSTBSA-N 0 3 225.332 2.226 10 0 BEAEHN CC(C)(C)[C@H]1CN[C@@]2(CCCSC2)OC1 ZINC000757152397 586429706 /nfs/dbraw/zinc/42/97/06/586429706.db2.gz RZXWORYEFQFPGW-JQWIXIFHSA-N 0 3 229.389 2.492 10 0 BEAEHN C[C@H]1CC(C)(C)O[C@@]2(COC(C)(C)C2)N1 ZINC000757154251 586430225 /nfs/dbraw/zinc/43/02/25/586430225.db2.gz ZQIVZGSPZXDTCQ-CABZTGNLSA-N 0 3 213.321 2.059 10 0 BEAEHN CCOC(=O)[C@@H]1CC[C@H](c2ccsc2)NC1 ZINC000757219364 586442322 /nfs/dbraw/zinc/44/23/22/586442322.db2.gz YETYJJCYMAYTKL-MWLCHTKSSA-N 0 3 239.340 2.352 10 0 BEAEHN Nc1ccnc(-c2cccc3cc[nH]c32)c1N ZINC000757573027 586462908 /nfs/dbraw/zinc/46/29/08/586462908.db2.gz WWUVMMCNUWHRJX-UHFFFAOYSA-N 0 3 224.267 2.394 10 0 BEAEHN CC(C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117100235 589074949 /nfs/dbraw/zinc/07/49/49/589074949.db2.gz VDJCGXVFKDNICJ-AWEZNQCLSA-N 0 3 247.338 2.460 10 0 BEAEHN CC(C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000110119616 588611970 /nfs/dbraw/zinc/61/19/70/588611970.db2.gz VDJCGXVFKDNICJ-CQSZACIVSA-N 0 3 247.338 2.460 10 0 BEAEHN O[C@@H](CN[C@@H]1CSc2ccccc21)C1CC1 ZINC000123557692 589752437 /nfs/dbraw/zinc/75/24/37/589752437.db2.gz ZISYMJHAVGVRGG-NEPJUHHUSA-N 0 3 235.352 2.194 10 0 BEAEHN Cc1cc(CN[C@@H]2CCO[C@@H]2C)c(C)o1 ZINC000123716008 589776640 /nfs/dbraw/zinc/77/66/40/589776640.db2.gz CPLGLKZUHKNADP-ZYHUDNBSSA-N 0 3 209.289 2.163 10 0 BEAEHN Cc1cc(CNC(C)(C)[C@@H](C)O)c(C)o1 ZINC000127789620 590777713 /nfs/dbraw/zinc/77/77/13/590777713.db2.gz KXKUUXCWZREMNN-SNVBAGLBSA-N 0 3 211.305 2.145 10 0 BEAEHN Cc1cc(N2CC[C@H](C(C)(C)C)C2)nc(N)n1 ZINC000128432349 591038317 /nfs/dbraw/zinc/03/83/17/591038317.db2.gz CXMPONXGXJULIC-JTQLQIEISA-N 0 3 234.347 2.240 10 0 BEAEHN C[C@]1(Cc2cccs2)NCCc2nc[nH]c21 ZINC000211099939 591124383 /nfs/dbraw/zinc/12/43/83/591124383.db2.gz BJTZAYQEYKCLHT-GFCCVEGCSA-N 0 3 233.340 2.075 10 0 BEAEHN CCc1cnccc1-c1noc([C@H]2CCCN2)n1 ZINC000129845342 591415017 /nfs/dbraw/zinc/41/50/17/591415017.db2.gz JLBUHXDACDUNOK-LLVKDONJSA-N 0 3 244.298 2.119 10 0 BEAEHN NCc1[nH]c(C2CCCC2)nc1Br ZINC000213002974 591445155 /nfs/dbraw/zinc/44/51/55/591445155.db2.gz AMBKMKZNTSLHES-UHFFFAOYSA-N 0 3 244.136 2.289 10 0 BEAEHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CCC(C)=O ZINC000133434867 591791700 /nfs/dbraw/zinc/79/17/00/591791700.db2.gz IQMAZMXZEPTFDA-CHWSQXEVSA-N 0 3 241.375 2.491 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[S@@](C)=O)cc1C ZINC000133808667 591860682 /nfs/dbraw/zinc/86/06/82/591860682.db2.gz MXQOPGZIIRXDGE-WBMJQRKESA-N 0 3 239.384 2.333 10 0 BEAEHN Cc1ccc([C@H](C)NCC[S@](C)=O)cc1F ZINC000133802462 591860853 /nfs/dbraw/zinc/86/08/53/591860853.db2.gz DIKLNNGRBZWHOA-MGPLVRAMSA-N 0 3 243.347 2.163 10 0 BEAEHN C[C@@H](CNC(=O)[C@@]1(C)CCCCN1)C(C)(C)C ZINC000136188505 592100275 /nfs/dbraw/zinc/10/02/75/592100275.db2.gz UUFLPVNNAAWZPA-SMDDNHRTSA-N 0 3 240.391 2.317 10 0 BEAEHN C[C@H](CNC(=O)[C@@]1(C)CCCCN1)C(C)(C)C ZINC000136188543 592100643 /nfs/dbraw/zinc/10/06/43/592100643.db2.gz UUFLPVNNAAWZPA-BXUZGUMPSA-N 0 3 240.391 2.317 10 0 BEAEHN C[C@@H](O)[C@H](C)NCc1sccc1Cl ZINC000336659683 635199889 /nfs/dbraw/zinc/19/98/89/635199889.db2.gz TYUISOZZOSWSMZ-NKWVEPMBSA-N 0 3 219.737 2.260 10 0 BEAEHN C[C@@H](O)[C@@H](C)NCc1sccc1Cl ZINC000336659684 635199839 /nfs/dbraw/zinc/19/98/39/635199839.db2.gz TYUISOZZOSWSMZ-RNFRBKRXSA-N 0 3 219.737 2.260 10 0 BEAEHN CC1(C)C[C@@H]1c1noc([C@@]2(C)CCCN2)n1 ZINC000225473368 635408949 /nfs/dbraw/zinc/40/89/49/635408949.db2.gz CYPOYNMWRGZDHF-PRHODGIISA-N 0 3 221.304 2.182 10 0 BEAEHN COc1c(C)cnc(CN[C@@H]2C[C@@H]2C)c1C ZINC000052287934 632115545 /nfs/dbraw/zinc/11/55/45/632115545.db2.gz YZLPGSCLBHHFTJ-GZMMTYOYSA-N 0 3 220.316 2.205 10 0 BEAEHN C[C@H](O)[C@H](C)NCc1cnc(C2CCC2)s1 ZINC000309964706 632687650 /nfs/dbraw/zinc/68/76/50/632687650.db2.gz MXLWIBUCXYHHFV-IUCAKERBSA-N 0 3 240.372 2.270 10 0 BEAEHN Cl/C=C(\Cl)CN1CCN2CCCC[C@H]2C1 ZINC000177761462 632877077 /nfs/dbraw/zinc/87/70/77/632877077.db2.gz GKJXAZVUWGYQMC-BRNRAETOSA-N 0 3 249.185 2.476 10 0 BEAEHN c1cc(CNCCOC2CCCC2)co1 ZINC000053543568 633816448 /nfs/dbraw/zinc/81/64/48/633816448.db2.gz LRGZWRNQMPWBNX-UHFFFAOYSA-N 0 3 209.289 2.328 10 0 BEAEHN C[C@@H](O)[C@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000309942747 633967279 /nfs/dbraw/zinc/96/72/79/633967279.db2.gz CDDWXJLZFYLSPQ-DTWKUNHWSA-N 0 3 242.388 2.300 10 0 BEAEHN CC(C)c1ncc(CN[C@@H](C)[C@H](C)O)s1 ZINC000336772865 635287455 /nfs/dbraw/zinc/28/74/55/635287455.db2.gz YKVZYOQFZGKTMB-IUCAKERBSA-N 0 3 228.361 2.125 10 0 BEAEHN C[C@H]1CC(CNCc2nccs2)C[C@H](C)O1 ZINC000393742022 636547855 /nfs/dbraw/zinc/54/78/55/636547855.db2.gz FYXDCCKZCYBTAE-UWVGGRQHSA-N 0 3 240.372 2.436 10 0 BEAEHN CN(C)[C@@H](CNCc1ccoc1)c1ccco1 ZINC000062103354 641020243 /nfs/dbraw/zinc/02/02/43/641020243.db2.gz RAXDYCNWGMPNEF-LBPRGKRZSA-N 0 3 234.299 2.265 10 0 BEAEHN CCC(CC)CNc1ccncc1CO ZINC000130513324 642065768 /nfs/dbraw/zinc/06/57/68/642065768.db2.gz FYRVSYQSQCDVJE-UHFFFAOYSA-N 0 3 208.305 2.422 10 0 BEAEHN CO[C@H]1CCC[C@@H]1N[C@@H](C)c1ccccn1 ZINC000050369263 643691353 /nfs/dbraw/zinc/69/13/53/643691353.db2.gz SRIWLYLXPWVWCN-DRZSPHRISA-N 0 3 220.316 2.300 10 0 BEAEHN Cc1nc(CNCC[C@@H]2CCCO2)sc1C ZINC000087375682 644493148 /nfs/dbraw/zinc/49/31/48/644493148.db2.gz GXLGPCVTWWVQQI-NSHDSACASA-N 0 3 240.372 2.419 10 0 BEAEHN O[C@@]12CCCC[C@@H]1CN(Cc1ccoc1)CC2 ZINC000093585961 644695150 /nfs/dbraw/zinc/69/51/50/644695150.db2.gz RNZQDLXWLBFAHO-ZIAGYGMSSA-N 0 3 235.327 2.407 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cn(C)cn1 ZINC000709988416 712237969 /nfs/dbraw/zinc/23/79/69/712237969.db2.gz YXRCNGDRVYFPQC-AXFHLTTASA-N 0 3 207.321 2.259 10 0 BEAEHN CSC1CC(NCc2oc(C)nc2C)C1 ZINC000706776334 712155456 /nfs/dbraw/zinc/15/54/56/712155456.db2.gz RTSVPZFRBCPQHD-UHFFFAOYSA-N 0 3 226.345 2.275 10 0 BEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000709122937 712209184 /nfs/dbraw/zinc/20/91/84/712209184.db2.gz DZJPFLGDXBXKHP-OWTLIXCDSA-N 0 3 238.375 2.199 10 0 BEAEHN COCC1CC(NCc2c(F)cccc2F)C1 ZINC000713960052 712475111 /nfs/dbraw/zinc/47/51/11/712475111.db2.gz NVIUHEHEKGQLNS-UHFFFAOYSA-N 0 3 241.281 2.479 10 0 BEAEHN CCCn1cc(CN[C@H](CC)C(C)C)nn1 ZINC000714487340 712492191 /nfs/dbraw/zinc/49/21/91/712492191.db2.gz MLSUFFGYEOQVJK-GFCCVEGCSA-N 0 3 224.352 2.212 10 0 BEAEHN CC(C)c1nccnc1N[C@@H]1CCN(C)[C@H]1C ZINC000719780528 712824456 /nfs/dbraw/zinc/82/44/56/712824456.db2.gz GVWWHDQUAIYMII-WDEREUQCSA-N 0 3 234.347 2.105 10 0 BEAEHN Cc1conc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000720365521 712835949 /nfs/dbraw/zinc/83/59/49/712835949.db2.gz CCDSJSXBHQSCNH-CHWSQXEVSA-N 0 3 249.358 2.042 10 0 BEAEHN Cc1conc1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000720365529 712836264 /nfs/dbraw/zinc/83/62/64/712836264.db2.gz CCDSJSXBHQSCNH-QWHCGFSZSA-N 0 3 249.358 2.042 10 0 BEAEHN C[C@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607905 712858279 /nfs/dbraw/zinc/85/82/79/712858279.db2.gz WZQZPTNRQPYLMS-NNYUYHANSA-N 0 3 234.347 2.044 10 0 BEAEHN Cc1nc(CNC[C@@H]2CCCCN2C)cs1 ZINC000044561361 1171391255 /nfs/dbraw/zinc/39/12/55/1171391255.db2.gz IRAIUQHLDJMFEU-LBPRGKRZSA-N 0 3 239.388 2.025 10 0 BEAEHN CC(C)OCC(=O)CCNCc1ccccc1 ZINC000685960671 538907627 /nfs/dbraw/zinc/90/76/27/538907627.db2.gz XXHXTEGLFYUUDO-UHFFFAOYSA-N 0 3 235.327 2.160 10 0 BEAEHN COCC[C@H](C)C(=O)CCNCc1ccccc1 ZINC000685960570 538907893 /nfs/dbraw/zinc/90/78/93/538907893.db2.gz SBRDFQUDOKBZTK-ZDUSSCGKSA-N 0 3 249.354 2.408 10 0 BEAEHN C=C(OCC)c1ccc(OC)c(CNC)c1 ZINC000685965170 538911595 /nfs/dbraw/zinc/91/15/95/538911595.db2.gz RTXFFLPRRNJHCZ-UHFFFAOYSA-N 0 3 221.300 2.422 10 0 BEAEHN C=C(OCC)c1cncc([C@H](C)NC)c1 ZINC000685965188 538911616 /nfs/dbraw/zinc/91/16/16/538911616.db2.gz SHCXPBDBWWOVPG-VIFPVBQESA-N 0 3 206.289 2.369 10 0 BEAEHN CN1CCc2ccccc2[C@@H]1c1ccnc(N)c1 ZINC000616588191 349487276 /nfs/dbraw/zinc/48/72/76/349487276.db2.gz PEBXOPYOIPCYEA-HNNXBMFYSA-N 0 3 239.322 2.071 10 0 BEAEHN CCC(CC)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123945914 168333447 /nfs/dbraw/zinc/33/34/47/168333447.db2.gz ZURSWHXKURYECB-YPMHNXCESA-N 0 3 240.391 2.364 10 0 BEAEHN Cc1cc(CNC[C@H]2CCCO2)cc(C)c1O ZINC000020305120 178025111 /nfs/dbraw/zinc/02/51/11/178025111.db2.gz FPSFENJVDQVBPE-CYBMUJFWSA-N 0 3 235.327 2.278 10 0 BEAEHN Cc1cc(CN[C@@H]2CCO[C@H]2C)cc(C)c1O ZINC000149380610 178035025 /nfs/dbraw/zinc/03/50/25/178035025.db2.gz UYJVEEFZIGVAKZ-WCQYABFASA-N 0 3 235.327 2.276 10 0 BEAEHN Cc1cc(CN[C@H]2CCO[C@H]2C)cc(C)c1O ZINC000149380802 178040084 /nfs/dbraw/zinc/04/00/84/178040084.db2.gz UYJVEEFZIGVAKZ-AAEUAGOBSA-N 0 3 235.327 2.276 10 0 BEAEHN Cc1[nH]ncc1CNc1ccc(N)cc1C ZINC000042358795 178106931 /nfs/dbraw/zinc/10/69/31/178106931.db2.gz VLGKYEXHVHNKOP-UHFFFAOYSA-N 0 3 216.288 2.221 10 0 BEAEHN Cc1cc(N)ccc1OC1CCN(C)CC1 ZINC000041018572 178107510 /nfs/dbraw/zinc/10/75/10/178107510.db2.gz HERMVKNMYUVLMN-UHFFFAOYSA-N 0 3 220.316 2.050 10 0 BEAEHN Cc1cnccc1CN[C@H](C)[C@H]1CCCO1 ZINC000296230557 398208635 /nfs/dbraw/zinc/20/86/35/398208635.db2.gz CGSSCYTUIQKHDR-DGCLKSJQSA-N 0 3 220.316 2.047 10 0 BEAEHN Cc1cc(N[C@H]2CCN(C)C2)ccc1F ZINC000061989929 178190305 /nfs/dbraw/zinc/19/03/05/178190305.db2.gz OBISSRNMBQKOJO-NSHDSACASA-N 0 3 208.280 2.250 10 0 BEAEHN Cc1cc([C@@H](N)[C@@H]2CCCCO2)c(C)o1 ZINC000050963127 178237958 /nfs/dbraw/zinc/23/79/58/178237958.db2.gz DCHSYWPCUSJMDY-NWDGAFQWSA-N 0 3 209.289 2.465 10 0 BEAEHN Cc1cc([C@]23C[C@H]2CN(C)C3)ccc1F ZINC000034894432 178270565 /nfs/dbraw/zinc/27/05/65/178270565.db2.gz ZJDFOPYAGRPFLM-WCQYABFASA-N 0 3 205.276 2.337 10 0 BEAEHN Cc1cc2nc(CNC3CC3)[nH]c2cc1C ZINC000022863891 178302721 /nfs/dbraw/zinc/30/27/21/178302721.db2.gz JKQPPVBCMQPZTG-UHFFFAOYSA-N 0 3 215.300 2.432 10 0 BEAEHN Cc1ccc(-c2oncc2CN)c(C)c1 ZINC000071508401 178344593 /nfs/dbraw/zinc/34/45/93/178344593.db2.gz GUHRWLPZWSATLY-UHFFFAOYSA-N 0 3 202.257 2.417 10 0 BEAEHN C[C@@H]1C[C@H](C(=O)NCCN(C)C)CC(C)(C)C1 ZINC000162145411 349575926 /nfs/dbraw/zinc/57/59/26/349575926.db2.gz YLOIIPFEJBNPJU-NEPJUHHUSA-N 0 3 240.391 2.127 10 0 BEAEHN C[C@@H]1C[C@@H](C(=O)NCCN(C)C)CC(C)(C)C1 ZINC000162145609 349576023 /nfs/dbraw/zinc/57/60/23/349576023.db2.gz YLOIIPFEJBNPJU-VXGBXAGGSA-N 0 3 240.391 2.127 10 0 BEAEHN CN(Cc1ccco1)C[C@@H]1CCC[C@H](O)C1 ZINC000381653096 398268621 /nfs/dbraw/zinc/26/86/21/398268621.db2.gz SFCBXZMEKRXBPC-NEPJUHHUSA-N 0 3 223.316 2.263 10 0 BEAEHN COC(=O)c1csc(CN[C@H]2C[C@@H]2C)c1 ZINC000602538833 349604578 /nfs/dbraw/zinc/60/45/78/349604578.db2.gz COSBMMKXVXBKII-XVKPBYJWSA-N 0 3 225.313 2.033 10 0 BEAEHN Clc1cc2cccnc2c(N2CCNCC2)c1 ZINC000144715056 342749617 /nfs/dbraw/zinc/74/96/17/342749617.db2.gz KEEOGAAOXGCHNB-UHFFFAOYSA-N 0 3 247.729 2.298 10 0 BEAEHN N[C@@H]1COc2c1cc(Cl)cc2Br ZINC000035655136 342754185 /nfs/dbraw/zinc/75/41/85/342754185.db2.gz XCQGMCQQUZKXNJ-SSDOTTSWSA-N 0 3 248.507 2.495 10 0 BEAEHN N[C@@H]1CCSc2c(F)ccc(F)c21 ZINC000035676378 342754402 /nfs/dbraw/zinc/75/44/02/342754402.db2.gz FKRPWMYLHPHUTB-SSDOTTSWSA-N 0 3 201.241 2.460 10 0 BEAEHN C[C@@H](NCCC(N)=O)c1ccc(F)c(Cl)c1 ZINC000036746888 398287608 /nfs/dbraw/zinc/28/76/08/398287608.db2.gz VIKGHOLKXOSXEU-SSDOTTSWSA-N 0 3 244.697 2.005 10 0 BEAEHN CCC(CC)NCc1cc(C(N)=O)ccc1F ZINC000020037369 168389789 /nfs/dbraw/zinc/38/97/89/168389789.db2.gz SYUOIKDMLHEHGV-UHFFFAOYSA-N 0 3 238.306 2.203 10 0 BEAEHN Cc1ccc(CN(C[C@@H](C)O)C(C)C)o1 ZINC000035717742 342807314 /nfs/dbraw/zinc/80/73/14/342807314.db2.gz DTDPRJCMUXYBAB-SNVBAGLBSA-N 0 3 211.305 2.179 10 0 BEAEHN c1csc(CNC[C@@H]2CC23CCOCC3)n1 ZINC000381464392 539001165 /nfs/dbraw/zinc/00/11/65/539001165.db2.gz KTDZBDDKHCEQON-JTQLQIEISA-N 0 3 238.356 2.049 10 0 BEAEHN CCN1C[C@H](N[C@H](C)c2ccoc2)[C@@H](C)C1 ZINC000381778255 539007020 /nfs/dbraw/zinc/00/70/20/539007020.db2.gz XKLAYXKOVBBCQH-LOWVWBTDSA-N 0 3 222.332 2.270 10 0 BEAEHN CCOC(=O)N1CC[C@@H](NC)c2ccccc21 ZINC000071324720 361980801 /nfs/dbraw/zinc/98/08/01/361980801.db2.gz NBYVONWXUNAIRN-LLVKDONJSA-N 0 3 234.299 2.314 10 0 BEAEHN C[C@H](N)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000406501122 342870538 /nfs/dbraw/zinc/87/05/38/342870538.db2.gz QLDAAIKCDGYSGR-QMMMGPOBSA-N 0 3 237.303 2.448 10 0 BEAEHN CN[C@@H]1CSCc2cc(F)cc(F)c21 ZINC000165054880 342872410 /nfs/dbraw/zinc/87/24/10/342872410.db2.gz SZNDVJNAHUCPAP-SECBINFHSA-N 0 3 215.268 2.472 10 0 BEAEHN CN(C[C@H]1CCN(C)C1)c1nc(Cl)cs1 ZINC000165187341 342880532 /nfs/dbraw/zinc/88/05/32/342880532.db2.gz JUHQCCXCFQWWMO-QMMMGPOBSA-N 0 3 245.779 2.184 10 0 BEAEHN Clc1csc(N2CCN3CCC[C@@H]3C2)n1 ZINC000165216088 342883634 /nfs/dbraw/zinc/88/36/34/342883634.db2.gz SBANEINHHJBXBI-MRVPVSSYSA-N 0 3 243.763 2.081 10 0 BEAEHN Cc1cc(C(=O)C[C@H]2CSCCN2)cs1 ZINC000226591233 342892702 /nfs/dbraw/zinc/89/27/02/342892702.db2.gz NKWUSCRRNTUCDR-JTQLQIEISA-N 0 3 241.381 2.334 10 0 BEAEHN COc1c(CNCCC2=CCCC2)c(C)nn1C ZINC000120154176 398336956 /nfs/dbraw/zinc/33/69/56/398336956.db2.gz ZSBXKOLETLWFMD-UHFFFAOYSA-N 0 3 249.358 2.327 10 0 BEAEHN CC[C@@](F)(CN)c1cc(F)ccc1F ZINC000158341806 398332261 /nfs/dbraw/zinc/33/22/61/398332261.db2.gz SSFMVWFFQPYKGY-SNVBAGLBSA-N 0 3 203.207 2.498 10 0 BEAEHN COc1ccccc1CNCC[C@@H]1CCCO1 ZINC000037988674 398335418 /nfs/dbraw/zinc/33/54/18/398335418.db2.gz XAHWAMOXLUVLSY-ZDUSSCGKSA-N 0 3 235.327 2.354 10 0 BEAEHN COc1ccccc1CNCC[C@H]1CCCO1 ZINC000037988675 398335507 /nfs/dbraw/zinc/33/55/07/398335507.db2.gz XAHWAMOXLUVLSY-CYBMUJFWSA-N 0 3 235.327 2.354 10 0 BEAEHN CCCCCCNC(=O)[C@]1(C)CCCCN1 ZINC000159551342 398342061 /nfs/dbraw/zinc/34/20/61/398342061.db2.gz FWDMXZIJPFIMEF-ZDUSSCGKSA-N 0 3 226.364 2.215 10 0 BEAEHN CN(CC(=O)NC(C)(C)C)CC1CCCC1 ZINC000047707179 343021060 /nfs/dbraw/zinc/02/10/60/343021060.db2.gz AUHYSHGIEZLCQQ-UHFFFAOYSA-N 0 3 226.364 2.023 10 0 BEAEHN CC(C)Cc1ccc(CNC2(CO)CC2)cc1 ZINC000120336239 187222041 /nfs/dbraw/zinc/22/20/41/187222041.db2.gz YVKQVVNJTWABJC-UHFFFAOYSA-N 0 3 233.355 2.500 10 0 BEAEHN CC(C)N(C[C@H](O)C(F)(F)F)C1CCC1 ZINC000121623719 187223251 /nfs/dbraw/zinc/22/32/51/187223251.db2.gz CUOAWKOTJWZPFC-VIFPVBQESA-N 0 3 225.254 2.173 10 0 BEAEHN N[C@H](CO)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000072198902 343068873 /nfs/dbraw/zinc/06/88/73/343068873.db2.gz REUIRPFEEJVRNN-MRVPVSSYSA-N 0 3 239.624 2.351 10 0 BEAEHN NC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl ZINC000072201403 343069680 /nfs/dbraw/zinc/06/96/80/343069680.db2.gz UQZMQFQURJFZJS-MRVPVSSYSA-N 0 3 238.640 2.317 10 0 BEAEHN CCN(CC)c1ccc2ncc(N)c(NC)c2c1 ZINC000584881930 343083202 /nfs/dbraw/zinc/08/32/02/343083202.db2.gz HPPCTIGNJLCTBA-UHFFFAOYSA-N 0 3 244.342 2.127 10 0 BEAEHN CN1CC=C(c2c[nH]c3ccc(CO)cc23)CC1 ZINC000013731876 343102808 /nfs/dbraw/zinc/10/28/08/343102808.db2.gz BLPACQACEQEYPL-UHFFFAOYSA-N 0 3 242.322 2.379 10 0 BEAEHN Nc1ccc2c(c1)OCC(CN1CCCC1)=C2 ZINC000145104190 343112101 /nfs/dbraw/zinc/11/21/01/343112101.db2.gz RCZRGUGEFOTUPP-UHFFFAOYSA-N 0 3 230.311 2.140 10 0 BEAEHN CC[C@H](C)Oc1ccccc1N1CCNCC1 ZINC000034728775 343142598 /nfs/dbraw/zinc/14/25/98/343142598.db2.gz RCGFOIYBXPOPOY-LBPRGKRZSA-N 0 3 234.343 2.274 10 0 BEAEHN CC(C)C[C@H](N)NC(=O)OCc1ccccc1 ZINC000005284648 187247830 /nfs/dbraw/zinc/24/78/30/187247830.db2.gz VAKHWEMKIXNHBE-GFCCVEGCSA-N 0 3 236.315 2.244 10 0 BEAEHN CC[C@@H](C)Oc1ccccc1N1CCNCC1 ZINC000034728772 343278027 /nfs/dbraw/zinc/27/80/27/343278027.db2.gz RCGFOIYBXPOPOY-GFCCVEGCSA-N 0 3 234.343 2.274 10 0 BEAEHN CC(C)[C@H](N)c1nc(-c2ccncc2)c[nH]1 ZINC000036876984 187258649 /nfs/dbraw/zinc/25/86/49/187258649.db2.gz BQXQCDFEDJFLDG-NSHDSACASA-N 0 3 216.288 2.128 10 0 BEAEHN CC(C)(CO)NCc1ccc2ccccc2n1 ZINC000035114361 187257599 /nfs/dbraw/zinc/25/75/99/187257599.db2.gz FPAXIEKBWIMPIL-UHFFFAOYSA-N 0 3 230.311 2.095 10 0 BEAEHN C[C@@H]1OCC[C@H]1c1ccc2c(c1)CNC2 ZINC000147808259 343380781 /nfs/dbraw/zinc/38/07/81/343380781.db2.gz BQCBSDHTCZGICW-TVQRCGJNSA-N 0 3 203.285 2.182 10 0 BEAEHN CC[C@H]1Cc2nc(SC)sc2CN1 ZINC000039101735 343383884 /nfs/dbraw/zinc/38/38/84/343383884.db2.gz HLHIDSLWRFNLGX-LURJTMIESA-N 0 3 214.359 2.289 10 0 BEAEHN CCC[C@H]1NCc2sc(N)nc2[C@@H]1C ZINC000039109080 343384936 /nfs/dbraw/zinc/38/49/36/343384936.db2.gz ANZGPGIGZNKFSM-RNFRBKRXSA-N 0 3 211.334 2.101 10 0 BEAEHN Cn1ccnc1CNCCc1ccc(Cl)cc1 ZINC000042222575 343431443 /nfs/dbraw/zinc/43/14/43/343431443.db2.gz ZZNVWLVACKDEMR-UHFFFAOYSA-N 0 3 249.745 2.406 10 0 BEAEHN COC(=O)c1ccccc1[C@H]1CCCCN1 ZINC000044135440 343492790 /nfs/dbraw/zinc/49/27/90/343492790.db2.gz IEQZQZOYCGACDC-GFCCVEGCSA-N 0 3 219.284 2.288 10 0 BEAEHN CC(C)[C@H](NC(=O)C(C)(C)N)c1cccs1 ZINC000040922113 187264386 /nfs/dbraw/zinc/26/43/86/187264386.db2.gz CFXZBDGUXGJJKK-JTQLQIEISA-N 0 3 240.372 2.299 10 0 BEAEHN CCOC[C@@]1(C)NCCc2ccsc21 ZINC000712536714 537789034 /nfs/dbraw/zinc/78/90/34/537789034.db2.gz HKINPCCPJAXLNP-LLVKDONJSA-N 0 3 211.330 2.146 10 0 BEAEHN c1cc2c(s1)[C@]1(CCSC1)NCC2 ZINC000712574559 537789075 /nfs/dbraw/zinc/78/90/75/537789075.db2.gz WZHNANGENILLGN-SNVBAGLBSA-N 0 3 211.355 2.226 10 0 BEAEHN CC(C)N1CC[C@]2(C1)NCCc1ccsc12 ZINC000712536750 537789167 /nfs/dbraw/zinc/78/91/67/537789167.db2.gz LYXPKQYXYIYKQJ-CYBMUJFWSA-N 0 3 236.384 2.203 10 0 BEAEHN CC(C)N(CCO)c1ccc(F)cc1[C@@H](C)N ZINC000042479744 187265445 /nfs/dbraw/zinc/26/54/45/187265445.db2.gz NELSOCDTVDGXED-SNVBAGLBSA-N 0 3 240.322 2.053 10 0 BEAEHN CC1(C)C[C@@]2(CO1)NCCc1ccsc12 ZINC000712562586 537791947 /nfs/dbraw/zinc/79/19/47/537791947.db2.gz JAMDLYXEPSRQAS-LBPRGKRZSA-N 0 3 223.341 2.288 10 0 BEAEHN CC[C@H](OC)[C@H]1NCCc2ccsc21 ZINC000712559376 537793913 /nfs/dbraw/zinc/79/39/13/537793913.db2.gz QZKJMTUIVXGEIR-VHSXEESVSA-N 0 3 211.330 2.360 10 0 BEAEHN O=C1CCN2C[C@@H](c3ccccc3F)C[C@@H]2C1 ZINC000205002026 343610893 /nfs/dbraw/zinc/61/08/93/343610893.db2.gz YDYXSUWRRBQAET-WDEREUQCSA-N 0 3 233.286 2.347 10 0 BEAEHN CC[C@H](O)CN(Cc1ccsc1)C1CC1 ZINC000036099410 343636024 /nfs/dbraw/zinc/63/60/24/343636024.db2.gz PLAOBQVNCROFAE-LBPRGKRZSA-N 0 3 225.357 2.483 10 0 BEAEHN CC1Oc2c(cccc2Br)C1=O ZINC000043633175 343631868 /nfs/dbraw/zinc/63/18/68/343631868.db2.gz NDPBHHSUJKWFOK-YFKPBYRVSA-N 0 3 227.057 2.413 10 0 BEAEHN COc1ccc(C(=O)CNCC(C)C)cc1 ZINC000049818346 187270442 /nfs/dbraw/zinc/27/04/42/187270442.db2.gz RIDUREPFRAKJJD-UHFFFAOYSA-N 0 3 221.300 2.124 10 0 BEAEHN CCN1CCC[C@H]1CNc1cc(Cl)ncn1 ZINC000048631192 343782138 /nfs/dbraw/zinc/78/21/38/343782138.db2.gz HRDAHJBBYRQTGU-VIFPVBQESA-N 0 3 240.738 2.026 10 0 BEAEHN C[C@@H]1CNCCN1c1nccc2sccc21 ZINC000054374973 343789579 /nfs/dbraw/zinc/78/95/79/343789579.db2.gz YTSUJUNQMYPUPU-SECBINFHSA-N 0 3 233.340 2.094 10 0 BEAEHN C=Cc1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000409423920 343816780 /nfs/dbraw/zinc/81/67/80/343816780.db2.gz RPGFGXSNVWRYRT-AWEZNQCLSA-N 0 3 217.312 2.286 10 0 BEAEHN C[C@@H]1C[C@@H](n2cc(CN)nn2)CC(C)(C)C1 ZINC000409424845 343817810 /nfs/dbraw/zinc/81/78/10/343817810.db2.gz YTNQRUFEROSFOQ-MWLCHTKSSA-N 0 3 222.336 2.124 10 0 BEAEHN Cc1nc(N)cc(N2[C@H](C)CCC[C@H]2C)n1 ZINC000409431367 343822971 /nfs/dbraw/zinc/82/29/71/343822971.db2.gz POUITQNBOMVVCO-RKDXNWHRSA-N 0 3 220.320 2.135 10 0 BEAEHN CNCc1ccnc(OCc2ccccc2)c1 ZINC000051523276 349872337 /nfs/dbraw/zinc/87/23/37/349872337.db2.gz BARJYJFTNPCKQN-UHFFFAOYSA-N 0 3 228.295 2.380 10 0 BEAEHN CSCC[C@@H](N)c1ncc2ccccn21 ZINC000409442159 343857322 /nfs/dbraw/zinc/85/73/22/343857322.db2.gz TVLHQTAVMVXUMZ-SNVBAGLBSA-N 0 3 221.329 2.087 10 0 BEAEHN CC(C)Cn1ccn2nc(C3CC3)c(CN)c12 ZINC000409437112 343842373 /nfs/dbraw/zinc/84/23/73/343842373.db2.gz BZCCGAPOBTZWQM-UHFFFAOYSA-N 0 3 232.331 2.128 10 0 BEAEHN CCn1nc([C@H]2CCCCN2)c2c1CCC2 ZINC000409440544 343852495 /nfs/dbraw/zinc/85/24/95/343852495.db2.gz UMABMIRUIIOXMH-LLVKDONJSA-N 0 3 219.332 2.206 10 0 BEAEHN CN1C[C@H](CO)C[C@@H]1c1cccc(Cl)c1 ZINC000409442296 343857811 /nfs/dbraw/zinc/85/78/11/343857811.db2.gz UPUMMBCBMAMHRE-BXKDBHETSA-N 0 3 225.719 2.325 10 0 BEAEHN CCn1nc(-c2ccsc2)cc1CN ZINC000409443973 343863853 /nfs/dbraw/zinc/86/38/53/343863853.db2.gz XRGUVMOCEWVHIZ-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN CCn1c2ccc(OC)cc2nc1[C@@H](C)N ZINC000074297660 187277080 /nfs/dbraw/zinc/27/70/80/187277080.db2.gz RHLVFJIHTRGRPB-MRVPVSSYSA-N 0 3 219.288 2.085 10 0 BEAEHN CNCc1cc(-c2ccccc2)nn1CCF ZINC000409443167 343866264 /nfs/dbraw/zinc/86/62/64/343866264.db2.gz ICVFTTKPRRSPGV-UHFFFAOYSA-N 0 3 233.290 2.239 10 0 BEAEHN COc1ccc(Br)c(CN)c1F ZINC000075844821 187278271 /nfs/dbraw/zinc/27/82/71/187278271.db2.gz CNRWJJLHEGSLJS-UHFFFAOYSA-N 0 3 234.068 2.056 10 0 BEAEHN CC[C@H](CC(F)F)Cn1cc(C(C)(C)N)nn1 ZINC000641182868 362259024 /nfs/dbraw/zinc/25/90/24/362259024.db2.gz UMBZNJDJVFJBLQ-MRVPVSSYSA-N 0 3 246.305 2.153 10 0 BEAEHN CN1CCC(OC(=O)CCc2ccccc2)CC1 ZINC000087493405 187286096 /nfs/dbraw/zinc/28/60/96/187286096.db2.gz BXNJBYLFJATBGS-UHFFFAOYSA-N 0 3 247.338 2.257 10 0 BEAEHN CC(C)(C)c1ncc(CN)cc1OC1CC1 ZINC000095737774 187287404 /nfs/dbraw/zinc/28/74/04/187287404.db2.gz DYDBQELJJJAYNZ-UHFFFAOYSA-N 0 3 220.316 2.379 10 0 BEAEHN CC1(C)[C@@H](NCc2ccoc2)[C@@H]2CCO[C@@H]21 ZINC000125926595 344166087 /nfs/dbraw/zinc/16/60/87/344166087.db2.gz GASOVSGVUSVZGY-SRVKXCTJSA-N 0 3 221.300 2.183 10 0 BEAEHN CCn1ccnc1CNC1(CC)CCC1 ZINC000129073952 344210105 /nfs/dbraw/zinc/21/01/05/344210105.db2.gz ZNMKXOCWZKZJOZ-UHFFFAOYSA-N 0 3 207.321 2.325 10 0 BEAEHN C[C@@H]1C[C@H](N)c2nc(C(F)(F)F)ccc2N1 ZINC000218061422 344214285 /nfs/dbraw/zinc/21/42/85/344214285.db2.gz OMBQLJBDANDAIU-RITPCOANSA-N 0 3 231.221 2.304 10 0 BEAEHN CC[C@H](C)c1nc([C@H](N)C(C)(C)C)n[nH]1 ZINC000616573877 344186059 /nfs/dbraw/zinc/18/60/59/344186059.db2.gz LURSKXHDOOSSRV-YUMQZZPRSA-N 0 3 210.325 2.364 10 0 BEAEHN CCC[C@H](N)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400075534 344278598 /nfs/dbraw/zinc/27/85/98/344278598.db2.gz OCBUCINDWPHLGN-TUUUFIMRSA-N 0 3 238.375 2.056 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1ccc(Cl)cn1 ZINC000132982392 344310564 /nfs/dbraw/zinc/31/05/64/344310564.db2.gz ZNYFBEAZWTUVOT-LDYMZIIASA-N 0 3 226.707 2.002 10 0 BEAEHN COc1cc([C@@](C)(F)CN)ccc1Cl ZINC000158250527 344571978 /nfs/dbraw/zinc/57/19/78/344571978.db2.gz ASHCSAQJKSVMQF-JTQLQIEISA-N 0 3 217.671 2.492 10 0 BEAEHN C[C@](F)(CN)[C@H]1CCOC2(CCC2)C1 ZINC000158252947 344575627 /nfs/dbraw/zinc/57/56/27/344575627.db2.gz MNSSQPJTIIOEJO-UWVGGRQHSA-N 0 3 201.285 2.023 10 0 BEAEHN CN(C)CCc1cc(-c2ccccc2)on1 ZINC000002040208 362486861 /nfs/dbraw/zinc/48/68/61/362486861.db2.gz CHXNVLTUKKKSBE-UHFFFAOYSA-N 0 3 216.284 2.446 10 0 BEAEHN CN(C)c1cccc(OC(F)(F)F)c1CN ZINC000396117366 344607014 /nfs/dbraw/zinc/60/70/14/344607014.db2.gz GCYKVOAJAGKJKA-UHFFFAOYSA-N 0 3 234.221 2.110 10 0 BEAEHN CC(C)(C)C(=O)CN1CCCSCC1 ZINC000050157686 344650474 /nfs/dbraw/zinc/65/04/74/344650474.db2.gz PCUNSABSTRHXJO-UHFFFAOYSA-N 0 3 215.362 2.041 10 0 BEAEHN CC1([C@H]2NCCc3nc[nH]c32)CCCC1 ZINC000400382895 537855311 /nfs/dbraw/zinc/85/53/11/537855311.db2.gz LUAGTHZYCNEARM-NSHDSACASA-N 0 3 205.305 2.177 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1[C@@H]1NCCc2nc[nH]c21 ZINC000400378090 537855321 /nfs/dbraw/zinc/85/53/21/537855321.db2.gz DLCVRMBCDXDIPS-SCVCMEIPSA-N 0 3 219.332 2.423 10 0 BEAEHN C[C@H](c1csc(Cl)c1)N1CC(N)C1 ZINC000235210603 344846341 /nfs/dbraw/zinc/84/63/41/344846341.db2.gz SEDHUHQWOSXBCL-ZCFIWIBFSA-N 0 3 216.737 2.105 10 0 BEAEHN CNCc1cnc(NC2CC2)c(Cl)c1 ZINC000166350651 344870777 /nfs/dbraw/zinc/87/07/77/344870777.db2.gz YZZNZDAIYCQRSP-UHFFFAOYSA-N 0 3 211.696 2.029 10 0 BEAEHN C[C@@H]1SCC[C@]12NC[C@@H](C)CS2 ZINC000235326952 344884327 /nfs/dbraw/zinc/88/43/27/344884327.db2.gz FSLFRPLVDASOLK-HRDYMLBCSA-N 0 3 203.376 2.181 10 0 BEAEHN C[C@@H]1SCC[C@@]12NC(C)(C)CS2 ZINC000235363194 344894418 /nfs/dbraw/zinc/89/44/18/344894418.db2.gz NPAFOKYPBICJCG-CBAPKCEASA-N 0 3 203.376 2.323 10 0 BEAEHN c1nc2n(n1)CCC[C@H]2NC[C@H]1CC=CCC1 ZINC000124480289 187295581 /nfs/dbraw/zinc/29/55/81/187295581.db2.gz KIDYKOZBJSZDHM-NWDGAFQWSA-N 0 3 232.331 2.059 10 0 BEAEHN CC(=O)CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000121285172 187295831 /nfs/dbraw/zinc/29/58/31/187295831.db2.gz DMPPCQBRVBFLNM-NSHDSACASA-N 0 3 221.300 2.364 10 0 BEAEHN N[C@H](CCO)c1ccccc1C(F)(F)F ZINC000044232189 344988291 /nfs/dbraw/zinc/98/82/91/344988291.db2.gz SZDSETNDCNRZBB-SECBINFHSA-N 0 3 219.206 2.088 10 0 BEAEHN N[C@@H](CCO)c1cc(C(F)(F)F)ccc1F ZINC000044233039 344988452 /nfs/dbraw/zinc/98/84/52/344988452.db2.gz DYDIKPRGOWETNN-VIFPVBQESA-N 0 3 237.196 2.227 10 0 BEAEHN C[C@@H](NC(=O)[C@H](N)C(C)(C)C)c1ccccc1 ZINC000123313834 344993863 /nfs/dbraw/zinc/99/38/63/344993863.db2.gz BJXXSMAVTUBLGM-PWSUYJOCSA-N 0 3 234.343 2.237 10 0 BEAEHN Cc1cc(C)n(C[C@H](N)c2ccc(F)cc2)n1 ZINC000011849813 345032485 /nfs/dbraw/zinc/03/24/85/345032485.db2.gz IMWRALBWCZTLOA-ZDUSSCGKSA-N 0 3 233.290 2.339 10 0 BEAEHN Cc1cc(C2(N)CC2)ncc1Br ZINC000238516799 345068433 /nfs/dbraw/zinc/06/84/33/345068433.db2.gz XQNHIAGGNCJEGA-UHFFFAOYSA-N 0 3 227.105 2.100 10 0 BEAEHN Cc1ccc(Oc2ccc(CN)nn2)cc1 ZINC000051545243 178820069 /nfs/dbraw/zinc/82/00/69/178820069.db2.gz SGBDGODAKVRVQE-UHFFFAOYSA-N 0 3 215.256 2.036 10 0 BEAEHN NCc1cc(C(F)F)cc(C(F)F)n1 ZINC000238643296 345100145 /nfs/dbraw/zinc/10/01/45/345100145.db2.gz FRDYWJSJLCMAMG-UHFFFAOYSA-N 0 3 208.158 2.416 10 0 BEAEHN NCc1cc(Cl)cnc1C(F)(F)F ZINC000238656751 345102660 /nfs/dbraw/zinc/10/26/60/345102660.db2.gz NOQMUCNUIAOIJI-UHFFFAOYSA-N 0 3 210.586 2.213 10 0 BEAEHN NCc1ccnc(OC(F)(F)F)c1Cl ZINC000238690658 345112877 /nfs/dbraw/zinc/11/28/77/345112877.db2.gz VBROEJNFMOIMQM-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN CNc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(C)n1 ZINC000127843925 345224709 /nfs/dbraw/zinc/22/47/09/345224709.db2.gz QYBNMRYAZRJWRY-UWVGGRQHSA-N 0 3 234.347 2.309 10 0 BEAEHN Cc1csc(CN[C@@H]2CCCC[C@@H]2CO)n1 ZINC000164267895 187302581 /nfs/dbraw/zinc/30/25/81/187302581.db2.gz WBUPVUASEKFPGM-GHMZBOCLSA-N 0 3 240.372 2.092 10 0 BEAEHN C[C@@H]1CCC[C@@H]([C@@H](N)c2cnsn2)C1 ZINC000229060510 345433442 /nfs/dbraw/zinc/43/34/42/345433442.db2.gz UGMGHRWZFLFDBR-NQMVMOMDSA-N 0 3 211.334 2.364 10 0 BEAEHN COc1cc(F)cc(CN[C@@H]2CCO[C@@H]2C)c1 ZINC000090972460 345578289 /nfs/dbraw/zinc/57/82/89/345578289.db2.gz NXJDRRJQMISCNV-NOZJJQNGSA-N 0 3 239.290 2.101 10 0 BEAEHN CC(C)N(Cc1nc2ccccc2o1)C[C@@H](C)O ZINC000107044085 187308878 /nfs/dbraw/zinc/30/88/78/187308878.db2.gz JFRMSIOMSTVQNM-LLVKDONJSA-N 0 3 248.326 2.419 10 0 BEAEHN NC[C@H](OC(N)=O)c1cccc(Cl)c1Cl ZINC000113415232 345754508 /nfs/dbraw/zinc/75/45/08/345754508.db2.gz MBJQWYMUCUTIND-ZETCQYMHSA-N 0 3 249.097 2.089 10 0 BEAEHN CC1(C)CCc2cccc3c2N1CCNC3 ZINC000207714590 345758794 /nfs/dbraw/zinc/75/87/94/345758794.db2.gz NBMFBQZMZRXHHA-UHFFFAOYSA-N 0 3 216.328 2.321 10 0 BEAEHN Cc1cc(OCCN(C)C)nc2ccc(N)cc12 ZINC000168817478 345823080 /nfs/dbraw/zinc/82/30/80/345823080.db2.gz CUDXCYLNEVLNHM-UHFFFAOYSA-N 0 3 245.326 2.066 10 0 BEAEHN COc1ccccc1C[C@H]1NCCC(=O)C1(C)C ZINC000034397838 345824371 /nfs/dbraw/zinc/82/43/71/345824371.db2.gz SFRLBDFHRVVIRX-CYBMUJFWSA-N 0 3 247.338 2.195 10 0 BEAEHN Cc1cc(=O)oc2cc(OCCN(C)C)ccc12 ZINC000033823934 345815448 /nfs/dbraw/zinc/81/54/48/345815448.db2.gz RXAYKJUYAHXQBL-UHFFFAOYSA-N 0 3 247.294 2.042 10 0 BEAEHN C[C@@H]1CCn2cc([C@H]3CCCCN3)nc2C1 ZINC000258142951 345780110 /nfs/dbraw/zinc/78/01/10/345780110.db2.gz DDPRCFAYPXNLIP-GHMZBOCLSA-N 0 3 219.332 2.280 10 0 BEAEHN C1CN[C@H](c2nc(C3CCSCC3)no2)C1 ZINC000258886648 345786849 /nfs/dbraw/zinc/78/68/49/345786849.db2.gz NOIIJRSIDFPTSU-VIFPVBQESA-N 0 3 239.344 2.105 10 0 BEAEHN C[C@H]1CNC[C@H](c2csc(Cl)c2)O1 ZINC000235719822 345793750 /nfs/dbraw/zinc/79/37/50/345793750.db2.gz DNKSKKOOUVBFHE-POYBYMJQSA-N 0 3 217.721 2.451 10 0 BEAEHN O[C@@H]1/C(=C\c2ccccc2)N2CCC1CC2 ZINC000033477293 345799344 /nfs/dbraw/zinc/79/93/44/345799344.db2.gz XCJLSGXSDDYLKZ-UELRPHRMSA-N 0 3 215.296 2.114 10 0 BEAEHN CCc1cccc(Cl)c1CN[C@@H]1C[C@H]1CO ZINC000309502327 347088249 /nfs/dbraw/zinc/08/82/49/347088249.db2.gz ADOMBFQYUSHZOD-GXFFZTMASA-N 0 3 239.746 2.373 10 0 BEAEHN O=Cc1ccc2c(c1)CCN(C1CCC1)CC2 ZINC000142294266 345862337 /nfs/dbraw/zinc/86/23/37/345862337.db2.gz ZQTGGWZQYFYTKJ-UHFFFAOYSA-N 0 3 229.323 2.452 10 0 BEAEHN COCC[C@@]1(C)NCCc2sccc21 ZINC000307415909 537922010 /nfs/dbraw/zinc/92/20/10/537922010.db2.gz NEIVAUCVNFQQSD-LLVKDONJSA-N 0 3 211.330 2.146 10 0 BEAEHN CCCNc1cc(NC)nc(C2CC2)n1 ZINC000087908914 345939828 /nfs/dbraw/zinc/93/98/28/345939828.db2.gz VXSQPLJIQDBIEE-UHFFFAOYSA-N 0 3 206.293 2.218 10 0 BEAEHN c1cc2c(s1)CCN[C@@H]2[C@H]1CCCO1 ZINC000307642588 537924570 /nfs/dbraw/zinc/92/45/70/537924570.db2.gz MCDOPERHCKBCMQ-KOLCDFICSA-N 0 3 209.314 2.114 10 0 BEAEHN CC(C)(C)Sc1ccnc(C(=N)N)c1 ZINC000061814707 345951836 /nfs/dbraw/zinc/95/18/36/345951836.db2.gz HGPXRZZPXKVZDP-UHFFFAOYSA-N 0 3 209.318 2.256 10 0 BEAEHN C1=C(CCNCc2cncnc2)CCC1 ZINC000120140767 187313712 /nfs/dbraw/zinc/31/37/12/187313712.db2.gz GRFZJZDEQRUBLF-UHFFFAOYSA-N 0 3 203.289 2.067 10 0 BEAEHN C[C@H](c1ccco1)N1CCC[C@H](CO)C1 ZINC000095089078 346025029 /nfs/dbraw/zinc/02/50/29/346025029.db2.gz NCWYDXBZXZRAQK-MNOVXSKESA-N 0 3 209.289 2.045 10 0 BEAEHN CC(C)Oc1ccc2c(c1)[C@@H](N)CCO2 ZINC000095638963 346079638 /nfs/dbraw/zinc/07/96/38/346079638.db2.gz FCWIFSSPWUUOEA-NSHDSACASA-N 0 3 207.273 2.256 10 0 BEAEHN CN[C@@H]1COc2cc(Br)c(F)cc21 ZINC000149085910 346083001 /nfs/dbraw/zinc/08/30/01/346083001.db2.gz LZKMFGAPFDKUBV-MRVPVSSYSA-N 0 3 246.079 2.241 10 0 BEAEHN C[C@@H]1Oc2cc(F)c(Br)cc2[C@@H]1N ZINC000148401337 346087736 /nfs/dbraw/zinc/08/77/36/346087736.db2.gz FPSKEIWZXGUYPV-AJAUBTJJSA-N 0 3 246.079 2.369 10 0 BEAEHN OCCC[C@@H]1CCCN1Cc1ccco1 ZINC000052761998 346373300 /nfs/dbraw/zinc/37/33/00/346373300.db2.gz FUIPJLAPXUKRHH-NSHDSACASA-N 0 3 209.289 2.017 10 0 BEAEHN Cc1cccc(CN(C)C(=O)[C@@](C)(N)C2CC2)c1 ZINC000037807919 179063936 /nfs/dbraw/zinc/06/39/36/179063936.db2.gz NIJABDKSIXYGEO-HNNXBMFYSA-N 0 3 246.354 2.081 10 0 BEAEHN Cc1cccc(CNCc2cn[nH]c2)c1C ZINC000043314242 179095785 /nfs/dbraw/zinc/09/57/85/179095785.db2.gz JEMDBQRCJRZYTH-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN CC(C)(O)CN1CCC(c2nccs2)CC1 ZINC000336553166 187369400 /nfs/dbraw/zinc/36/94/00/187369400.db2.gz ACRJYVGJOIAUBI-UHFFFAOYSA-N 0 3 240.372 2.093 10 0 BEAEHN COC1CCC2(CC1)N[C@H](C)CCS2 ZINC000164327249 346600434 /nfs/dbraw/zinc/60/04/34/346600434.db2.gz XHVAOUZLOQFAKR-KPPDAEKUSA-N 0 3 215.362 2.387 10 0 BEAEHN Cc1c(F)c(Cl)nc(Cl)c1CN ZINC000585681348 346653656 /nfs/dbraw/zinc/65/36/56/346653656.db2.gz QKACLJCNANXFQR-UHFFFAOYSA-N 0 3 209.051 2.295 10 0 BEAEHN CCC[C@H](C)[C@H]1NCCc2ncn(C)c21 ZINC000725242751 537985657 /nfs/dbraw/zinc/98/56/57/537985657.db2.gz QAWMGLHVVCDMLS-GXSJLCMTSA-N 0 3 207.321 2.043 10 0 BEAEHN Cc1cccc(NC(=O)[C@](C)(N)C2CC2)c1C ZINC000037614344 179141940 /nfs/dbraw/zinc/14/19/40/179141940.db2.gz GACBXZOXPQUTFV-CQSZACIVSA-N 0 3 232.327 2.369 10 0 BEAEHN Cc1cccc(NCCN2CCN(C)[C@H](C)C2)c1 ZINC000104135102 179144945 /nfs/dbraw/zinc/14/49/45/179144945.db2.gz ZIDSWVIYCOJKPJ-CQSZACIVSA-N 0 3 247.386 2.043 10 0 BEAEHN CCC(C)(C)[C@@H]1NCCc2ncn(C)c21 ZINC000725242559 537986313 /nfs/dbraw/zinc/98/63/13/537986313.db2.gz GAWOQLSATUJGKS-LLVKDONJSA-N 0 3 207.321 2.043 10 0 BEAEHN c1cc2c(o1)[C@]1(C[C@@H]3CCC[C@@H]31)NCC2 ZINC000725242871 537987591 /nfs/dbraw/zinc/98/75/91/537987591.db2.gz MGKWTTNDGRCWHT-GMXVVIOVSA-N 0 3 203.285 2.441 10 0 BEAEHN O=C1CCC[C@]2(C1)NCCc1sccc12 ZINC000725242895 537987968 /nfs/dbraw/zinc/98/79/68/537987968.db2.gz UMKFKBQBJNRVOE-GFCCVEGCSA-N 0 3 221.325 2.232 10 0 BEAEHN Cc1cccc2c(NC[C@H](C)O)ccnc12 ZINC000120187814 179212576 /nfs/dbraw/zinc/21/25/76/179212576.db2.gz ZZLVRMMUDNLRJH-JTQLQIEISA-N 0 3 216.284 2.336 10 0 BEAEHN CC1(C)C[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000333318868 537988815 /nfs/dbraw/zinc/98/88/15/537988815.db2.gz MRBQLTMLWOCSRF-LBPRGKRZSA-N 0 3 245.326 2.210 10 0 BEAEHN CCCc1nn(C(C)C)c2c1CCNC2 ZINC000725242782 537989563 /nfs/dbraw/zinc/98/95/63/537989563.db2.gz SZUFERQIOUWRBL-UHFFFAOYSA-N 0 3 207.321 2.062 10 0 BEAEHN CC[C@H]1CO[C@H](c2ccc(C)s2)CN1 ZINC000036672933 347430831 /nfs/dbraw/zinc/43/08/31/347430831.db2.gz QUTDVMSSCDOOCP-UWVGGRQHSA-N 0 3 211.330 2.496 10 0 BEAEHN Cc1ccccc1CC[C@H]1COC[C@@H](C)N1 ZINC000071521367 179267698 /nfs/dbraw/zinc/26/76/98/179267698.db2.gz IXPXNBFHSMTLQG-OCCSQVGLSA-N 0 3 219.328 2.305 10 0 BEAEHN CCCC(=O)N1CCCc2c(CN)cccc21 ZINC000616569543 347767866 /nfs/dbraw/zinc/76/78/66/347767866.db2.gz ABWTXSRNMJILMG-UHFFFAOYSA-N 0 3 232.327 2.225 10 0 BEAEHN COC(=O)c1occc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000592182762 347759789 /nfs/dbraw/zinc/75/97/89/347759789.db2.gz UOJIQQVEZKPPDI-MVWJERBFSA-N 0 3 249.310 2.344 10 0 BEAEHN CN[C@H]1CCCc2c(OC)ccc(F)c21 ZINC000616570264 347966503 /nfs/dbraw/zinc/96/65/03/347966503.db2.gz GHLAHJSUMNFEDO-JTQLQIEISA-N 0 3 209.264 2.431 10 0 BEAEHN Cc1ccccc1[C@@](C)(NC1CCCC1)C(N)=O ZINC000037969540 179333388 /nfs/dbraw/zinc/33/33/88/179333388.db2.gz METRCDRZQPGONV-OAHLLOKOSA-N 0 3 246.354 2.228 10 0 BEAEHN Cc1ccccc1[C@H]1CNC(C)(C)CO1 ZINC000011803201 179348292 /nfs/dbraw/zinc/34/82/92/179348292.db2.gz LEZSNFRSMUMORM-GFCCVEGCSA-N 0 3 205.301 2.435 10 0 BEAEHN Cc1ccccc1[C@H](N)CN1CCCCCC1=O ZINC000019391620 179343461 /nfs/dbraw/zinc/34/34/61/179343461.db2.gz LOWPHUYGWPCPLR-CQSZACIVSA-N 0 3 246.354 2.397 10 0 BEAEHN Cc1ccccc1[C@H]1CC2(CCN1)OCCO2 ZINC000041260656 179346645 /nfs/dbraw/zinc/34/66/45/179346645.db2.gz LNLUVDUFUAONEI-CYBMUJFWSA-N 0 3 233.311 2.163 10 0 BEAEHN CC[C@H](C)NC[C@H](O)C(Cl)(Cl)Cl ZINC000669381951 537999509 /nfs/dbraw/zinc/99/95/09/537999509.db2.gz BMEHLAYRRXAJGD-WDSKDSINSA-N 0 3 234.554 2.106 10 0 BEAEHN Cc1cccnc1CN1CCC[C@@H]1CCCO ZINC000093170903 179374154 /nfs/dbraw/zinc/37/41/54/179374154.db2.gz BVQPLVPKKHHUIO-CYBMUJFWSA-N 0 3 234.343 2.127 10 0 BEAEHN CCC(CC)NC[C@H](O)C(Cl)(Cl)Cl ZINC000669382302 538001195 /nfs/dbraw/zinc/00/11/95/538001195.db2.gz JSEPAAKAQYNKRO-ZETCQYMHSA-N 0 3 248.581 2.496 10 0 BEAEHN C[C@H](N)c1csc(N2CC[C@H](C)C2)n1 ZINC000251538603 362884768 /nfs/dbraw/zinc/88/47/68/362884768.db2.gz BGXWEWPXKDWAIS-YUMQZZPRSA-N 0 3 211.334 2.009 10 0 BEAEHN CCCN(CC)c1nc(CN)ccc1Cl ZINC000669382927 538004674 /nfs/dbraw/zinc/00/46/74/538004674.db2.gz ONEMRILBFJCQNT-UHFFFAOYSA-N 0 3 227.739 2.430 10 0 BEAEHN CC(C)(C)OC(=O)n1cc2c(c1)[C@H](N)CC2 ZINC000669382493 538005483 /nfs/dbraw/zinc/00/54/83/538005483.db2.gz LTQFBEGNKDSUGU-SNVBAGLBSA-N 0 3 222.288 2.217 10 0 BEAEHN CCCCNC[C@H](O)C(Cl)(Cl)Cl ZINC000669382945 538006745 /nfs/dbraw/zinc/00/67/45/538006745.db2.gz PMUICSZCFDTNHY-LURJTMIESA-N 0 3 234.554 2.107 10 0 BEAEHN CN(Cc1cccs1)[C@H]1CCC[C@@H]1O ZINC000037489585 348622174 /nfs/dbraw/zinc/62/21/74/348622174.db2.gz XHDOPRAORYBGNS-QWRGUYRKSA-N 0 3 211.330 2.093 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)[C@@]1(C[C@@H]1N)CN2 ZINC000725246987 538011064 /nfs/dbraw/zinc/01/10/64/538011064.db2.gz CPGFOMCYNGSSPO-GXTWGEPZSA-N 0 3 216.328 2.378 10 0 BEAEHN CN(Cc1ccoc1)C[C@H]1CCCC[C@@H]1O ZINC000053923582 348794281 /nfs/dbraw/zinc/79/42/81/348794281.db2.gz VCWVSBCIJMNOAP-OLZOCXBDSA-N 0 3 223.316 2.263 10 0 BEAEHN N[C@@H]1C[C@@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247074 538012240 /nfs/dbraw/zinc/01/22/40/538012240.db2.gz GQXAMYOAPLVECT-PSASIEDQSA-N 0 3 229.110 2.388 10 0 BEAEHN NCc1ccc(Cl)c(N2CCCCC2)n1 ZINC000669383824 538012307 /nfs/dbraw/zinc/01/23/07/538012307.db2.gz YOMPYMVQPZPWQM-UHFFFAOYSA-N 0 3 225.723 2.184 10 0 BEAEHN CN[C@H](C)C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000054074939 348876204 /nfs/dbraw/zinc/87/62/04/348876204.db2.gz LOJFFWUKBPEMQF-GFCCVEGCSA-N 0 3 248.370 2.376 10 0 BEAEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)NC ZINC000054074764 348876400 /nfs/dbraw/zinc/87/64/00/348876400.db2.gz SXIJULXWAPEZOU-QWHCGFSZSA-N 0 3 248.370 2.422 10 0 BEAEHN C/C=C/C(=O)Nc1ccc(C)c(CN)c1C ZINC000616574120 349076683 /nfs/dbraw/zinc/07/66/83/349076683.db2.gz XGZXQMWBILITFW-SNAWJCMRSA-N 0 3 218.300 2.277 10 0 BEAEHN CCCCc1nc2c(n1C)[C@H](N)CCC2 ZINC000725253360 538037826 /nfs/dbraw/zinc/03/78/26/538037826.db2.gz JRRIXCGXFJTJHW-SECBINFHSA-N 0 3 207.321 2.099 10 0 BEAEHN COc1cc2c(CN)nsc2c(Cl)c1 ZINC000725254145 538043034 /nfs/dbraw/zinc/04/30/34/538043034.db2.gz NFIFEDJKPUTVMH-UHFFFAOYSA-N 0 3 228.704 2.417 10 0 BEAEHN COC(=O)c1occc1CN[C@@H](C)C(C)C ZINC000035222862 358455600 /nfs/dbraw/zinc/45/56/00/358455600.db2.gz ZKJIXJVAFDUUIH-VIFPVBQESA-N 0 3 225.288 2.200 10 0 BEAEHN Cc1nc(N2C[C@H](C)C[C@@H](C)C2)sc1CN ZINC000054994986 180003296 /nfs/dbraw/zinc/00/32/96/180003296.db2.gz WRCHKBLXWREFFV-RKDXNWHRSA-N 0 3 239.388 2.393 10 0 BEAEHN Cc1nc([C@@H]2CCCO2)sc1[C@H](C)N ZINC000082420717 180045619 /nfs/dbraw/zinc/04/56/19/180045619.db2.gz NEMSDFLEDKFITB-XPUUQOCRSA-N 0 3 212.318 2.323 10 0 BEAEHN Cc1ccc(CNCC[C@H](C)[S@](C)=O)cc1 ZINC000132545436 191033529 /nfs/dbraw/zinc/03/35/29/191033529.db2.gz SXUYDTFAJPDURN-BLLLJJGKSA-N 0 3 239.384 2.242 10 0 BEAEHN Cc1cccc(CNCC[C@@H](C)[S@](C)=O)c1 ZINC000132568038 191034103 /nfs/dbraw/zinc/03/41/03/191034103.db2.gz BMKDOULFJJPOEN-MLGOLLRUSA-N 0 3 239.384 2.242 10 0 BEAEHN Cc1nc2cc(Cl)ccn2c1[C@H](C)N ZINC000074376557 180079178 /nfs/dbraw/zinc/07/91/78/180079178.db2.gz GFYQYRQGMCEOFS-LURJTMIESA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1nc(C)c(CNCC2(CCO)CC2)s1 ZINC000133063375 191035992 /nfs/dbraw/zinc/03/59/92/191035992.db2.gz KXDFGBCMMNTELW-UHFFFAOYSA-N 0 3 240.372 2.012 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2NC[C@@H]1CC=CCC1 ZINC000124458239 180110515 /nfs/dbraw/zinc/11/05/15/180110515.db2.gz CESHWXKIGUVWNQ-CHWSQXEVSA-N 0 3 246.358 2.367 10 0 BEAEHN Cc1ncc(CN[C@H]2CCCCC[C@@H]2O)s1 ZINC000040997925 180158786 /nfs/dbraw/zinc/15/87/86/180158786.db2.gz UJAOTFWMSYJIIQ-RYUDHWBXSA-N 0 3 240.372 2.235 10 0 BEAEHN Cc1ncc([C@H](C)N[C@@H]2C[C@H]2C)c(C)n1 ZINC000252714367 180173657 /nfs/dbraw/zinc/17/36/57/180173657.db2.gz RUYQTIZAUDVDSE-VFWDIBGWSA-N 0 3 205.305 2.152 10 0 BEAEHN Cc1nccc(CN[C@@H](C)CCc2ccco2)n1 ZINC000038037606 180191663 /nfs/dbraw/zinc/19/16/63/180191663.db2.gz CSHVMPUDIPENPH-NSHDSACASA-N 0 3 245.326 2.489 10 0 BEAEHN c1cn([C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000060250577 350220178 /nfs/dbraw/zinc/22/01/78/350220178.db2.gz MEHGZKIWJHTWJU-AWEZNQCLSA-N 0 3 227.311 2.330 10 0 BEAEHN Cc1nccc(CNCC2CCCC2)n1 ZINC000042011221 180189954 /nfs/dbraw/zinc/18/99/54/180189954.db2.gz DDUVRWKLEAVPFO-UHFFFAOYSA-N 0 3 205.305 2.065 10 0 BEAEHN Cc1ncccc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000165320605 180228099 /nfs/dbraw/zinc/22/80/99/180228099.db2.gz FCQFRXWNMRZLSC-JQWIXIFHSA-N 0 3 231.343 2.427 10 0 BEAEHN Cc1nc(CN)cc(-c2ccccc2F)n1 ZINC000074111167 350238640 /nfs/dbraw/zinc/23/86/40/350238640.db2.gz FEUQCHFTRMMYPJ-UHFFFAOYSA-N 0 3 217.247 2.050 10 0 BEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccco1 ZINC000180120470 180267061 /nfs/dbraw/zinc/26/70/61/180267061.db2.gz PAFHDGZDIJJWRD-ZDUSSCGKSA-N 0 3 245.326 2.449 10 0 BEAEHN Cc1nccn1Cc1ccoc1CNC1CC1 ZINC000052576100 180270095 /nfs/dbraw/zinc/27/00/95/180270095.db2.gz BYZWEOQZNUTELH-UHFFFAOYSA-N 0 3 231.299 2.085 10 0 BEAEHN CSCCc1nc2ccc(N)cc2[nH]1 ZINC000038063622 350300947 /nfs/dbraw/zinc/30/09/47/350300947.db2.gz CGAZVMISGIIPOK-UHFFFAOYSA-N 0 3 207.302 2.051 10 0 BEAEHN Cc1ccc(Cc2cc(CN)nc(C)n2)cc1 ZINC000076070344 350346790 /nfs/dbraw/zinc/34/67/90/350346790.db2.gz XJWCWDUIGOMMHB-UHFFFAOYSA-N 0 3 227.311 2.143 10 0 BEAEHN Cc1nn(-c2ccncc2N)c(C)c1Cl ZINC000050585660 180330625 /nfs/dbraw/zinc/33/06/25/180330625.db2.gz NPSLKKQMUPIFLG-UHFFFAOYSA-N 0 3 222.679 2.120 10 0 BEAEHN C[C@@]1(C(=O)c2cccc(F)c2)CCCN1 ZINC000226491943 350436691 /nfs/dbraw/zinc/43/66/91/350436691.db2.gz VIKQZTVPWDQCDC-LBPRGKRZSA-N 0 3 207.248 2.151 10 0 BEAEHN Cc1nn(C)c(N(C)[C@H](C)C(C)(C)C)c1CN ZINC000042777275 180352650 /nfs/dbraw/zinc/35/26/50/180352650.db2.gz JBHWGBZHCJMARH-SNVBAGLBSA-N 0 3 238.379 2.058 10 0 BEAEHN Cc1nn(C)c(OC2CCC(C)CC2)c1CN ZINC000020470113 180359833 /nfs/dbraw/zinc/35/98/33/180359833.db2.gz PARLXFWWCAKTCS-UHFFFAOYSA-N 0 3 237.347 2.145 10 0 BEAEHN C[C@@H](CCNCc1ccc(F)cc1)[S@](C)=O ZINC000132574873 191103275 /nfs/dbraw/zinc/10/32/75/191103275.db2.gz WPPUYROIJFTKKP-MGPLVRAMSA-N 0 3 243.347 2.072 10 0 BEAEHN C[C@H](C1CCCC1)N1CCC(=O)[C@H](C)C1 ZINC000251857495 362957243 /nfs/dbraw/zinc/95/72/43/362957243.db2.gz SCUOXWHJRIMWCV-GHMZBOCLSA-N 0 3 209.333 2.476 10 0 BEAEHN NCc1cc(-c2ccc(F)cc2Cl)ncn1 ZINC000409436585 350479480 /nfs/dbraw/zinc/47/94/80/350479480.db2.gz LDCIQWDVYAYIFZ-UHFFFAOYSA-N 0 3 237.665 2.395 10 0 BEAEHN CC[C@@H](C)c1cc(CN)nc(C2CC2)n1 ZINC000409437388 350481499 /nfs/dbraw/zinc/48/14/99/350481499.db2.gz FZPQFLJXNVJLJP-MRVPVSSYSA-N 0 3 205.305 2.326 10 0 BEAEHN Cc1nn([C@H](CN)c2ccsc2)c(C)c1C ZINC000043124235 180393070 /nfs/dbraw/zinc/39/30/70/180393070.db2.gz SXTXVTKHWAGOGZ-GFCCVEGCSA-N 0 3 235.356 2.418 10 0 BEAEHN Cc1nn([C@H](CN)c2cccs2)c(C)c1C ZINC000043107364 180393433 /nfs/dbraw/zinc/39/34/33/180393433.db2.gz VHGNDJHJODLJAN-LLVKDONJSA-N 0 3 235.356 2.418 10 0 BEAEHN C[C@@H]1CCSC2(C[C@H](C)O[C@@H](C)C2)N1 ZINC000227795426 350515251 /nfs/dbraw/zinc/51/52/51/350515251.db2.gz WFCSHSXCBCJPII-UTLUCORTSA-N 0 3 215.362 2.385 10 0 BEAEHN COc1cccc([C@H]2CCN(C)CCO2)c1 ZINC000616593801 350585027 /nfs/dbraw/zinc/58/50/27/350585027.db2.gz LUUJNYCBCFHTCG-CYBMUJFWSA-N 0 3 221.300 2.088 10 0 BEAEHN CC(C)(C)N1CCCOC[C@H]1c1ccc(N)nc1 ZINC000616596817 350637991 /nfs/dbraw/zinc/63/79/91/350637991.db2.gz IEJVXCCXYYFAPX-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2cnco2)CC1 ZINC000616596221 350631629 /nfs/dbraw/zinc/63/16/29/350631629.db2.gz RUJIHGVXBXKRIW-SNVBAGLBSA-N 0 3 224.304 2.237 10 0 BEAEHN CNc1ccccc1[C@@H]1CCOCCN1C ZINC000616597450 350651000 /nfs/dbraw/zinc/65/10/00/350651000.db2.gz FSPMYKSDTIQWCF-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CC(=O)Nc1cccc([C@H]2CN(C)CCCO2)c1 ZINC000616598670 350683632 /nfs/dbraw/zinc/68/36/32/350683632.db2.gz OYTKRZRBELBYOY-CQSZACIVSA-N 0 3 248.326 2.038 10 0 BEAEHN CC(C)(C)N1CCOC[C@@H](c2ccncc2)C1 ZINC000616599409 350746056 /nfs/dbraw/zinc/74/60/56/350746056.db2.gz YEOANADVBMZYGH-ZDUSSCGKSA-N 0 3 234.343 2.296 10 0 BEAEHN c1cc2ccc([C@H]3COCCCN3)cc2cn1 ZINC000616599825 350759433 /nfs/dbraw/zinc/75/94/33/350759433.db2.gz QEYMNUGXQATYOL-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)(C)N1CCCOC[C@@H]1c1ccc(N)nc1 ZINC000616599165 350726474 /nfs/dbraw/zinc/72/64/74/350726474.db2.gz IEJVXCCXYYFAPX-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN COc1ccc(Br)c2c1[C@H](N)CC2 ZINC000222258605 350767890 /nfs/dbraw/zinc/76/78/90/350767890.db2.gz VILHRYHMNSXHPY-MRVPVSSYSA-N 0 3 242.116 2.404 10 0 BEAEHN CC(C)N1CCOCC[C@@H]1c1cccc(CO)c1 ZINC000616599926 350776032 /nfs/dbraw/zinc/77/60/32/350776032.db2.gz ZCAQXIVYBNZVTB-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)N1CCCC[C@H](c2conn2)C1 ZINC000616605368 350795074 /nfs/dbraw/zinc/79/50/74/350795074.db2.gz ZKGCHSVBZFGLNI-JTQLQIEISA-N 0 3 209.293 2.048 10 0 BEAEHN CN1CC[C@H](c2cc3ccccc3nn2)C1 ZINC000616609847 350807760 /nfs/dbraw/zinc/80/77/60/350807760.db2.gz DROBPISLOLYALC-NSHDSACASA-N 0 3 213.284 2.049 10 0 BEAEHN CSC(C)(C)[C@@H](N)c1ccncc1F ZINC000306681425 350838380 /nfs/dbraw/zinc/83/83/80/350838380.db2.gz OBXPUNJTRRQCTB-VIFPVBQESA-N 0 3 214.309 2.362 10 0 BEAEHN CC(C)N1CCC[C@@H](Nc2ccccn2)C1 ZINC000616617399 350868058 /nfs/dbraw/zinc/86/80/58/350868058.db2.gz VRIQDPHXNJIQTF-GFCCVEGCSA-N 0 3 219.332 2.366 10 0 BEAEHN CC(C)(C)N1CCCC[C@H]1c1cc(N)n[nH]1 ZINC000616615519 350847610 /nfs/dbraw/zinc/84/76/10/350847610.db2.gz OWVQHZOGTHWHFT-JTQLQIEISA-N 0 3 222.336 2.148 10 0 BEAEHN CN(C)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000306700524 350848686 /nfs/dbraw/zinc/84/86/86/350848686.db2.gz FOMPSHSWRMNRHU-SNVBAGLBSA-N 0 3 211.692 2.205 10 0 BEAEHN CC(C)N1CCC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616617094 350861139 /nfs/dbraw/zinc/86/11/39/350861139.db2.gz ICQNVSNPKVHALT-GFCCVEGCSA-N 0 3 246.354 2.373 10 0 BEAEHN CN1CCC[C@H](c2cccc3ccnnc32)C1 ZINC000616617228 350863414 /nfs/dbraw/zinc/86/34/14/350863414.db2.gz KBOXRSKTXVZUNZ-LBPRGKRZSA-N 0 3 227.311 2.439 10 0 BEAEHN c1onnc1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000616618901 350926018 /nfs/dbraw/zinc/92/60/18/350926018.db2.gz VKQVXLQEITXJHN-ZDUSSCGKSA-N 0 3 243.310 2.449 10 0 BEAEHN CN(Cc1occc1CN)Cc1ccccc1 ZINC000052417456 350992208 /nfs/dbraw/zinc/99/22/08/350992208.db2.gz UIUFQGGZAHIPTP-UHFFFAOYSA-N 0 3 230.311 2.370 10 0 BEAEHN Cc1nc([C@@H](N)[C@@H]2CCCS2)cs1 ZINC000306804128 351058772 /nfs/dbraw/zinc/05/87/72/351058772.db2.gz XAOOLJQINMBSKW-DTWKUNHWSA-N 0 3 214.359 2.347 10 0 BEAEHN Cn1ncc([C@H](N)C(C)(C)C)c1Br ZINC000306806705 351059574 /nfs/dbraw/zinc/05/95/74/351059574.db2.gz KPIZLYUVSBNRHI-ZETCQYMHSA-N 0 3 246.152 2.229 10 0 BEAEHN CCN1CCC[C@H](OC(F)(F)F)CC1 ZINC000616630256 351102581 /nfs/dbraw/zinc/10/25/81/351102581.db2.gz ZWGRANYNCRSMIV-QMMMGPOBSA-N 0 3 211.227 2.397 10 0 BEAEHN Cc1ncc(CN2C[C@H]3CCCCN3C[C@@H]2C)o1 ZINC000398089636 363001973 /nfs/dbraw/zinc/00/19/73/363001973.db2.gz WWIDHBJFSRBDTK-WCQYABFASA-N 0 3 249.358 2.042 10 0 BEAEHN CCN1CCN[C@@H](c2ccc3ncccc3c2)C1 ZINC000616632729 351113690 /nfs/dbraw/zinc/11/36/90/351113690.db2.gz YQUXAZBYXPULHN-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(=O)Nc1ccccc1[C@@H]1CCCN1C ZINC000616634640 351117764 /nfs/dbraw/zinc/11/77/64/351117764.db2.gz WCTORZKWQZZMAB-ZDUSSCGKSA-N 0 3 218.300 2.412 10 0 BEAEHN CCCN(CC(=O)NC(C)(C)C)CC1CC1 ZINC000052890813 351075535 /nfs/dbraw/zinc/07/55/35/351075535.db2.gz ZVUMCMXQLPKPFY-UHFFFAOYSA-N 0 3 226.364 2.023 10 0 BEAEHN CCN1CCCCC[C@@H]1c1cncnc1 ZINC000616623581 351089603 /nfs/dbraw/zinc/08/96/03/351089603.db2.gz ODPIIZDRDJWFEK-GFCCVEGCSA-N 0 3 205.305 2.414 10 0 BEAEHN NCc1c(F)ccc(OC(F)F)c1F ZINC000306849329 351159263 /nfs/dbraw/zinc/15/92/63/351159263.db2.gz NQWMLIJAQAWBHT-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN c1cc2ccc([C@@H]3COCCCN3)cc2cn1 ZINC000616647977 351174824 /nfs/dbraw/zinc/17/48/24/351174824.db2.gz QEYMNUGXQATYOL-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CNc1ccccc1[C@H]1CN(C)CCCO1 ZINC000616651248 351181788 /nfs/dbraw/zinc/18/17/88/351181788.db2.gz DCCJVMAUZCKHKY-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CN1CCCO[C@@H](c2ccc(F)cc2)C1 ZINC000616651638 351183523 /nfs/dbraw/zinc/18/35/23/351183523.db2.gz IAJNNYFDADHSQB-GFCCVEGCSA-N 0 3 209.264 2.219 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ccncn2)C1 ZINC000616652608 351186312 /nfs/dbraw/zinc/18/63/12/351186312.db2.gz HIJGPLJLOICJFK-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CCN1CCCO[C@@H](c2ccccc2N)C1 ZINC000616652835 351186972 /nfs/dbraw/zinc/18/69/72/351186972.db2.gz LDWCMCVUKGKZQO-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2cccnc2N)C1 ZINC000616653445 351187386 /nfs/dbraw/zinc/18/73/86/351187386.db2.gz PHAMUXCZQMWTOW-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN CCN1CCCO[C@@H](c2ccccc2OC)C1 ZINC000616651813 351188777 /nfs/dbraw/zinc/18/87/77/351188777.db2.gz AERUUCTXINANDP-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CCN1CCCO[C@@H](c2ccc(OC)cc2)C1 ZINC000616652048 351189783 /nfs/dbraw/zinc/18/97/83/351189783.db2.gz CWJWFLJQHUOSCT-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CNc1ccc([C@H]2CN(C)CCCO2)cc1 ZINC000616653276 351190000 /nfs/dbraw/zinc/19/00/00/351190000.db2.gz WYMRAYJRUWHNEC-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CCOC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000616672961 351239360 /nfs/dbraw/zinc/23/93/60/351239360.db2.gz YKCCKADKZQFJPA-LBPRGKRZSA-N 0 3 248.326 2.136 10 0 BEAEHN C[C@H]1CN=C(NCc2ccsc2)S1 ZINC000063154068 351263650 /nfs/dbraw/zinc/26/36/50/351263650.db2.gz VTCSNQUDGRJBIU-ZETCQYMHSA-N 0 3 212.343 2.329 10 0 BEAEHN C[C@H]1CSC(NCc2ccsc2)=N1 ZINC000063154072 351263803 /nfs/dbraw/zinc/26/38/03/351263803.db2.gz VNUDMNCSAOSJRS-ZETCQYMHSA-N 0 3 212.343 2.329 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2cnoc2)CC1 ZINC000616687449 351258273 /nfs/dbraw/zinc/25/82/73/351258273.db2.gz YVUSEKNADTVULX-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN CC(C)(C)N1CCOCC[C@H]1c1cccc(N)n1 ZINC000616656934 351197165 /nfs/dbraw/zinc/19/71/65/351197165.db2.gz QIPLVMUOJWVFBT-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN c1cc2ccncc2c([C@H]2CCOCCN2)c1 ZINC000616657657 351198961 /nfs/dbraw/zinc/19/89/61/351198961.db2.gz GPYSXNLWQROLMK-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN c1cc2ccncc2c([C@@H]2CCOCCN2)c1 ZINC000616657686 351199052 /nfs/dbraw/zinc/19/90/52/351199052.db2.gz GPYSXNLWQROLMK-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOC[C@H](c2cc3ccccc3cn2)C1 ZINC000616658105 351200402 /nfs/dbraw/zinc/20/04/02/351200402.db2.gz JDOQZAPJBKKHSX-CQSZACIVSA-N 0 3 242.322 2.280 10 0 BEAEHN CN1CCOCC[C@@H]1c1ccc2nnccc2c1 ZINC000616655619 351200686 /nfs/dbraw/zinc/20/06/86/351200686.db2.gz IFMJRECRWJBSIB-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)N1CCOCC[C@@H]1c1cccnc1 ZINC000616656387 351202309 /nfs/dbraw/zinc/20/23/09/351202309.db2.gz UORMRAJELLFIQR-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)(C)N1CCOCC[C@@H]1c1cccc(N)n1 ZINC000616656207 351202707 /nfs/dbraw/zinc/20/27/07/351202707.db2.gz QIPLVMUOJWVFBT-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN F[C@@H]1CCN(Cc2ccccc2)CCO1 ZINC000616664715 351220717 /nfs/dbraw/zinc/22/07/17/351220717.db2.gz UHXXYKYVWCCDPQ-LBPRGKRZSA-N 0 3 209.264 2.205 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2cocn2)CC1 ZINC000616666277 351225573 /nfs/dbraw/zinc/22/55/73/351225573.db2.gz MIRYJVBNZPWIBQ-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ccncn2)CC1 ZINC000616666391 351226655 /nfs/dbraw/zinc/22/66/55/351226655.db2.gz QPHXHMRNLMLPAI-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN N[C@@H]1COc2c1cc(Cl)c(F)c2F ZINC000306911673 351323782 /nfs/dbraw/zinc/32/37/82/351323782.db2.gz LEEGVWHECZVTHM-RXMQYKEDSA-N 0 3 205.591 2.010 10 0 BEAEHN Cc1nc([C@H](N)[C@]2(C)C[C@H]2F)cs1 ZINC000306879706 351271049 /nfs/dbraw/zinc/27/10/49/351271049.db2.gz FCRNBTASBNUTDY-HRDYMLBCSA-N 0 3 200.282 2.199 10 0 BEAEHN Cc1ccc([C@](C)(F)CN)c(F)c1F ZINC000231740307 351279323 /nfs/dbraw/zinc/27/93/23/351279323.db2.gz MAFFWFFWEHJPQU-SNVBAGLBSA-N 0 3 203.207 2.417 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1cc(F)cc(Cl)c1 ZINC000168294082 351368699 /nfs/dbraw/zinc/36/86/99/351368699.db2.gz JYDSJHXENCLIGB-SNVBAGLBSA-N 0 3 245.681 2.432 10 0 BEAEHN CC[C@@H](NCCC(=O)OC)c1ccccc1F ZINC000122481361 363024399 /nfs/dbraw/zinc/02/43/99/363024399.db2.gz ODXHZSDZZVTSJG-GFCCVEGCSA-N 0 3 239.290 2.430 10 0 BEAEHN C[C@@](F)(c1ccns1)[C@H]1CCCN1 ZINC000306983009 351399585 /nfs/dbraw/zinc/39/95/85/351399585.db2.gz KBTWKOKYDJOFTA-APPZFPTMSA-N 0 3 200.282 2.080 10 0 BEAEHN CC1(NCc2cccc(Br)n2)CC1 ZINC000228833559 351418048 /nfs/dbraw/zinc/41/80/48/351418048.db2.gz DKCVCMRNOCNKOO-UHFFFAOYSA-N 0 3 241.132 2.486 10 0 BEAEHN Cc1ccnc(C2(N)CCC2)c1Br ZINC000307168515 351542684 /nfs/dbraw/zinc/54/26/84/351542684.db2.gz VIAKFKJPSYTSPJ-UHFFFAOYSA-N 0 3 241.132 2.490 10 0 BEAEHN Cc1ccsc1-c1nc([C@@H](C)N)c[nH]1 ZINC000307191831 351593382 /nfs/dbraw/zinc/59/33/82/351593382.db2.gz BRBRPCCEIOEMOM-SSDOTTSWSA-N 0 3 207.302 2.466 10 0 BEAEHN CC(C)=C[C@@H](N)c1cnn(C)c1Br ZINC000307222991 351649290 /nfs/dbraw/zinc/64/92/90/351649290.db2.gz JUENHHXHXDFHTH-MRVPVSSYSA-N 0 3 244.136 2.149 10 0 BEAEHN CC[C@@H]1CSC(N[C@@H]2CCS[C@@H]2C)=N1 ZINC000307220062 351620711 /nfs/dbraw/zinc/62/07/11/351620711.db2.gz OPQCEAMDAWSCIT-IWSPIJDZSA-N 0 3 230.402 2.351 10 0 BEAEHN CC(C)CC[C@H](N)C(=O)N[C@H](C)C1CCCC1 ZINC000637991065 351865163 /nfs/dbraw/zinc/86/51/63/351865163.db2.gz MGDFICXXWRLHAD-YPMHNXCESA-N 0 3 240.391 2.445 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](N)CCC(C)C ZINC000638036173 351916939 /nfs/dbraw/zinc/91/69/39/351916939.db2.gz AWVBUEDZBICPIK-WOPDTQHZSA-N 0 3 226.364 2.055 10 0 BEAEHN Nc1c(F)cccc1CN1C[C@H]2CCC[C@@H]21 ZINC000638084978 351961191 /nfs/dbraw/zinc/96/11/91/351961191.db2.gz SIMIJIYNWMDITN-SKDRFNHKSA-N 0 3 220.291 2.392 10 0 BEAEHN C1CC1NC1=N[C@H](C2CCCC2)CS1 ZINC000307330617 352032206 /nfs/dbraw/zinc/03/22/06/352032206.db2.gz NTTNRCALIIWVAC-JTQLQIEISA-N 0 3 210.346 2.400 10 0 BEAEHN F[C@@H](c1cscn1)[C@H]1CCCCN1 ZINC000307347906 352102889 /nfs/dbraw/zinc/10/28/89/352102889.db2.gz NKPAKBBAZAXTPV-VXNVDRBHSA-N 0 3 200.282 2.296 10 0 BEAEHN C[C@@H]1CN[C@H]([C@@H]2CCSC2)SC1 ZINC000224675618 363117699 /nfs/dbraw/zinc/11/76/99/363117699.db2.gz FVLHYXLDYYZLQJ-HLTSFMKQSA-N 0 3 203.376 2.038 10 0 BEAEHN CC(C)n1cc(C(F)F)c(C2(N)CC2)n1 ZINC000725270774 538102791 /nfs/dbraw/zinc/10/27/91/538102791.db2.gz SJLCLBGGBDUFIV-UHFFFAOYSA-N 0 3 215.247 2.349 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H]1CC=CCC1 ZINC000638601941 352437395 /nfs/dbraw/zinc/43/73/95/352437395.db2.gz SPEUHCQGCLZHED-YNEHKIRRSA-N 0 3 238.375 2.222 10 0 BEAEHN C[C@@]1([C@H](N)c2cscn2)CCCS1 ZINC000307367786 352452594 /nfs/dbraw/zinc/45/25/94/352452594.db2.gz MKNCCARNULNNJD-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN CC[C@@H](N)c1nscc1Br ZINC000404795777 352471298 /nfs/dbraw/zinc/47/12/98/352471298.db2.gz HWFYAFYUCXIMNT-RXMQYKEDSA-N 0 3 221.123 2.315 10 0 BEAEHN Cc1ncc2ccc(Br)cn12 ZINC000084326487 352554505 /nfs/dbraw/zinc/55/45/05/352554505.db2.gz JGIKQUAAUSUNSZ-UHFFFAOYSA-N 0 3 211.062 2.405 10 0 BEAEHN CC1(C)[C@@H](c2ncc(Cl)s2)[C@@H]1N ZINC000300763939 352574051 /nfs/dbraw/zinc/57/40/51/352574051.db2.gz NQOKDMCPXVUCSY-RITPCOANSA-N 0 3 202.710 2.247 10 0 BEAEHN CCC[C@](C)(N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044678664 352655289 /nfs/dbraw/zinc/65/52/89/352655289.db2.gz YNUUZLDGVFCTFC-NFAWXSAZSA-N 0 3 246.354 2.176 10 0 BEAEHN Nc1cc(NC2CCC2)c(Br)cn1 ZINC000307600281 352666314 /nfs/dbraw/zinc/66/63/14/352666314.db2.gz SFFCBJGNENIPBS-UHFFFAOYSA-N 0 3 242.120 2.391 10 0 BEAEHN C[C@]1(c2nc(CN)cs2)CCCS1 ZINC000307651167 352742687 /nfs/dbraw/zinc/74/26/87/352742687.db2.gz LHNLWPHLKWSFLM-SECBINFHSA-N 0 3 214.359 2.344 10 0 BEAEHN OCc1ccc(CN2C[C@H]3CCC[C@@H]32)cc1 ZINC000334191392 352782136 /nfs/dbraw/zinc/78/21/36/352782136.db2.gz JTRWVEFUVHOAOK-KGLIPLIRSA-N 0 3 217.312 2.163 10 0 BEAEHN CC(C)(O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000334237870 352856178 /nfs/dbraw/zinc/85/61/78/352856178.db2.gz SGVAHYBQIQMION-CYBMUJFWSA-N 0 3 241.375 2.038 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000638804060 352978565 /nfs/dbraw/zinc/97/85/65/352978565.db2.gz AQZQFTYRUCNKII-QJPTWQEYSA-N 0 3 238.375 2.056 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cn(C)nc1CC ZINC000092410049 538106721 /nfs/dbraw/zinc/10/67/21/538106721.db2.gz AEHSXOSNOYQHMT-ZWNOBZJWSA-N 0 3 221.348 2.261 10 0 BEAEHN N[C@@H](c1ccsn1)[C@@H]1CCCS1 ZINC000306338423 353005067 /nfs/dbraw/zinc/00/50/67/353005067.db2.gz VVFWPSQHXJRUSY-YUMQZZPRSA-N 0 3 200.332 2.039 10 0 BEAEHN C[C@H](Nc1cccc(N)n1)C(C)(F)F ZINC000306792060 353038600 /nfs/dbraw/zinc/03/86/00/353038600.db2.gz ZVZZOPDMLXGXBH-LURJTMIESA-N 0 3 201.220 2.119 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NCCC(C)(C)CC ZINC000638865391 353039286 /nfs/dbraw/zinc/03/92/86/353039286.db2.gz GBGINQFVPGLBLS-WDEREUQCSA-N 0 3 228.380 2.302 10 0 BEAEHN CC(C)Nc1cc(N)ncc1Br ZINC000307466005 353078105 /nfs/dbraw/zinc/07/81/05/353078105.db2.gz NEKVDYNQZHSCNJ-UHFFFAOYSA-N 0 3 230.109 2.247 10 0 BEAEHN CCn1c2ccccc2nc1[C@@H](C)NC ZINC000054052918 188005400 /nfs/dbraw/zinc/00/54/00/188005400.db2.gz AIXDEOZZZIWIPU-SECBINFHSA-N 0 3 203.289 2.337 10 0 BEAEHN COc1ccc(CN2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000294998353 188268835 /nfs/dbraw/zinc/26/88/35/188268835.db2.gz LBYMTZCZCCKVLE-SMDDNHRTSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1NC(=O)[C@@H](N)CC(C)C ZINC000011961206 188279627 /nfs/dbraw/zinc/27/96/27/188279627.db2.gz JGIOGBAFIRGIJO-JTQLQIEISA-N 0 3 236.315 2.007 10 0 BEAEHN CC(C)C[C@H]1CSC(NC2CCOCC2)=N1 ZINC000040796536 188292590 /nfs/dbraw/zinc/29/25/90/188292590.db2.gz GPJACSOZBGJXRE-NSHDSACASA-N 0 3 242.388 2.273 10 0 BEAEHN CC(C)N(CC(F)(F)F)c1ncccc1CN ZINC000042736366 188294758 /nfs/dbraw/zinc/29/47/58/188294758.db2.gz OXIPXZWNPWDBLP-UHFFFAOYSA-N 0 3 247.264 2.317 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccncc1 ZINC000252677276 353303636 /nfs/dbraw/zinc/30/36/36/353303636.db2.gz ZELGFJWVYZUHOM-ZFWWWQNUSA-N 0 3 245.370 2.140 10 0 BEAEHN CNc1nccnc1C1CCN(C(C)C)CC1 ZINC000072356951 188307373 /nfs/dbraw/zinc/30/73/73/188307373.db2.gz LNESSHFLWCOFPU-UHFFFAOYSA-N 0 3 234.347 2.106 10 0 BEAEHN CC(C)c1ncc(CN)cc1OC1CC1 ZINC000095737775 188320662 /nfs/dbraw/zinc/32/06/62/188320662.db2.gz YTEWJKFASYYPJE-UHFFFAOYSA-N 0 3 206.289 2.205 10 0 BEAEHN CC(C)(N)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000083837608 188317147 /nfs/dbraw/zinc/31/71/47/188317147.db2.gz GYNSFFNIHONKKD-UHFFFAOYSA-N 0 3 219.263 2.410 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]CCCOC(C)C)n1 ZINC000112716315 188327184 /nfs/dbraw/zinc/32/71/84/188327184.db2.gz IOECXMCVEWFKPW-UHFFFAOYSA-N 0 3 238.331 2.000 10 0 BEAEHN CC1(C)CC[C@H]1N[C@H](CO)CC(F)(F)F ZINC000336760304 188348491 /nfs/dbraw/zinc/34/84/91/188348491.db2.gz MDXVVHRFKIWJHY-JGVFFNPUSA-N 0 3 225.254 2.078 10 0 BEAEHN CSc1ccc(NCCN(C)C)cc1 ZINC000020043746 188351704 /nfs/dbraw/zinc/35/17/04/188351704.db2.gz AUWXDCVOXBZNPX-UHFFFAOYSA-N 0 3 210.346 2.382 10 0 BEAEHN CC/C=C/CCN1CCC[C@@H](n2cncn2)C1 ZINC000184530329 535231081 /nfs/dbraw/zinc/23/10/81/535231081.db2.gz GYMQXUKAZHKCAJ-ITDFMYJTSA-N 0 3 234.347 2.271 10 0 BEAEHN Cc1cc(CN2CCC(c3ccn[nH]3)CC2)no1 ZINC000195505994 353765692 /nfs/dbraw/zinc/76/56/92/353765692.db2.gz XRLUTVNAWULNBQ-UHFFFAOYSA-N 0 3 246.314 2.086 10 0 BEAEHN Fc1cccc2c1[C@H](N1CCCC1)CNC2 ZINC000022812985 181008149 /nfs/dbraw/zinc/00/81/49/181008149.db2.gz IRQCXKCHEBQEES-GFCCVEGCSA-N 0 3 220.291 2.066 10 0 BEAEHN C[C@H]1C[C@@H](c2nc(C3(C)CC3)no2)CCN1C ZINC000335168664 354930129 /nfs/dbraw/zinc/93/01/29/354930129.db2.gz GOSGPUQKOYDHMY-UWVGGRQHSA-N 0 3 235.331 2.319 10 0 BEAEHN CCN1CCC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000040502205 358492854 /nfs/dbraw/zinc/49/28/54/358492854.db2.gz TYSUAUATUFGURP-RYUDHWBXSA-N 0 3 222.332 2.415 10 0 BEAEHN N=C(N)c1cc(OCCc2cccs2)ccn1 ZINC000061814649 181194276 /nfs/dbraw/zinc/19/42/76/181194276.db2.gz NKOVHFWCSHYXJP-UHFFFAOYSA-N 0 3 247.323 2.049 10 0 BEAEHN N=C(N)c1ccc2ccc(Cl)cc2n1 ZINC000062620653 181195018 /nfs/dbraw/zinc/19/50/18/181195018.db2.gz CSDMDVWZIGHSPC-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H](C)C1 ZINC000336010818 134050688 /nfs/dbraw/zinc/05/06/88/134050688.db2.gz IIZCAHZTQQOVIN-CHWSQXEVSA-N 0 3 238.375 2.118 10 0 BEAEHN CCN1CCC[C@@H](Nc2cc(C(C)C)ncn2)C1 ZINC000040766516 358499234 /nfs/dbraw/zinc/49/92/34/358499234.db2.gz DMXMTYKLDXQHHJ-GFCCVEGCSA-N 0 3 248.374 2.496 10 0 BEAEHN C[C@@H]1CCN[C@H]([C@H]2CCSC2)S1 ZINC000300209879 358499374 /nfs/dbraw/zinc/49/93/74/358499374.db2.gz IJJBETIOWBEQEH-VGMNWLOBSA-N 0 3 203.376 2.181 10 0 BEAEHN O=C(Nc1cccc2c1CNCC2)c1ccoc1 ZINC000167392514 355986696 /nfs/dbraw/zinc/98/66/96/355986696.db2.gz XVGGBSJAGSTZGP-UHFFFAOYSA-N 0 3 242.278 2.178 10 0 BEAEHN CCN1CC[C@H](Nc2ncnc3ccsc32)C1 ZINC000389287447 355956700 /nfs/dbraw/zinc/95/67/00/355956700.db2.gz WKYVVVVXQLGPHF-VIFPVBQESA-N 0 3 248.355 2.197 10 0 BEAEHN Cc1noc(C2(C)CCN(C3CCC3)CC2)n1 ZINC000336179982 134118216 /nfs/dbraw/zinc/11/82/16/134118216.db2.gz GQJPIYOYKUXCAG-UHFFFAOYSA-N 0 3 235.331 2.284 10 0 BEAEHN CCCc1cn2c(n1)C(C)(C)NCCC2 ZINC000675067392 538493564 /nfs/dbraw/zinc/49/35/64/538493564.db2.gz CKPRYNKULWNDMA-UHFFFAOYSA-N 0 3 207.321 2.064 10 0 BEAEHN NCc1cc2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000675069667 538499195 /nfs/dbraw/zinc/49/91/95/538499195.db2.gz KLHDZNKGTKTYQY-UHFFFAOYSA-N 0 3 242.200 2.418 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cc(OC)ns1 ZINC000399097632 366324796 /nfs/dbraw/zinc/32/47/96/366324796.db2.gz ZGCGAPVZSNDNEX-SCZZXKLOSA-N 0 3 226.345 2.430 10 0 BEAEHN COc1nc2cc(F)c(F)c(F)c2cc1CN ZINC000675070384 538501039 /nfs/dbraw/zinc/50/10/39/538501039.db2.gz WHGDQLKZYNUQMX-UHFFFAOYSA-N 0 3 242.200 2.119 10 0 BEAEHN COc1nc2c(F)cc(C)cc2cc1CN ZINC000675070448 538502241 /nfs/dbraw/zinc/50/22/41/538502241.db2.gz ZCCLRTFJCIFESI-UHFFFAOYSA-N 0 3 220.247 2.150 10 0 BEAEHN CCN1CC[C@@H](NCc2cccc(C)c2F)C1 ZINC000389448333 356673256 /nfs/dbraw/zinc/67/32/56/356673256.db2.gz PNLVJYYGWUSMJO-CYBMUJFWSA-N 0 3 236.334 2.318 10 0 BEAEHN CCN(C)CCOc1cncc(Cl)c1 ZINC000675076227 538510643 /nfs/dbraw/zinc/51/06/43/538510643.db2.gz LLMOXVAPBHWFPF-UHFFFAOYSA-N 0 3 214.696 2.066 10 0 BEAEHN CCOC(=O)c1nc([C@@H]2CCCN2)sc1C ZINC000166502949 538726938 /nfs/dbraw/zinc/72/69/38/538726938.db2.gz MFOQNOWMRDBMBF-QMMMGPOBSA-N 0 3 240.328 2.053 10 0 BEAEHN CCN(Cc1ccccn1)C[C@@](C)(O)CC ZINC000119427559 357024178 /nfs/dbraw/zinc/02/41/78/357024178.db2.gz BHONMCZYFKRTOF-ZDUSSCGKSA-N 0 3 222.332 2.065 10 0 BEAEHN COC[C@H](C)CN(C)Cc1ccc(C)o1 ZINC000131906226 325190316 /nfs/dbraw/zinc/19/03/16/325190316.db2.gz CTURGXJXJZSNGK-SNVBAGLBSA-N 0 3 211.305 2.302 10 0 BEAEHN COC1CC(N[C@H](C)c2cncc(F)c2)C1 ZINC000230675770 357549340 /nfs/dbraw/zinc/54/93/40/357549340.db2.gz AQZUNLCRFAFADD-HUUUCTMMSA-N 0 3 224.279 2.049 10 0 BEAEHN COc1ccccc1CNC[C@H]1CCCC[C@H]1O ZINC000085967388 357707232 /nfs/dbraw/zinc/70/72/32/357707232.db2.gz BPELZWRVJTWJPG-TZMCWYRMSA-N 0 3 249.354 2.336 10 0 BEAEHN C[C@@H](O)CN1CC=C(c2ccccc2)CC1 ZINC000192966639 357861924 /nfs/dbraw/zinc/86/19/24/357861924.db2.gz VEGIIPQSWJCRRT-GFCCVEGCSA-N 0 3 217.312 2.157 10 0 BEAEHN C=CCCCCCNC(=O)[C@@H](N)C(C)(C)C ZINC000034546580 357916807 /nfs/dbraw/zinc/91/68/07/357916807.db2.gz PPJPHANRMDBDLV-LLVKDONJSA-N 0 3 226.364 2.222 10 0 BEAEHN Cc1ncc([C@H](C)NC[C@H]2CCC[C@@H]2O)s1 ZINC000090418282 491126663 /nfs/dbraw/zinc/12/66/63/491126663.db2.gz MBAJRFWPUGHICO-GDPRMGEGSA-N 0 3 240.372 2.263 10 0 BEAEHN CCCC(=O)O[C@H]1CCCN2CCCC[C@@H]12 ZINC000584600487 358256976 /nfs/dbraw/zinc/25/69/76/358256976.db2.gz HVWMRKNUARLCRT-RYUDHWBXSA-N 0 3 225.332 2.347 10 0 BEAEHN CN(CCO)CCNc1cccc2ccccc21 ZINC000584603347 358262025 /nfs/dbraw/zinc/26/20/25/358262025.db2.gz XEPGPNGBKAHKBW-UHFFFAOYSA-N 0 3 244.338 2.176 10 0 BEAEHN CCCC[C@@H]1C[S@@](=O)C[C@@H](CCC)N1 ZINC000584607370 358267846 /nfs/dbraw/zinc/26/78/46/358267846.db2.gz ZSGAFOHYCGFXFP-GYSYKLTISA-N 0 3 217.378 2.066 10 0 BEAEHN COc1ccc(CN(C)C)c2cc(C)c(=O)oc12 ZINC000584626407 358295734 /nfs/dbraw/zinc/29/57/34/358295734.db2.gz ZLRQGWCSQVDWBU-UHFFFAOYSA-N 0 3 247.294 2.172 10 0 BEAEHN C[C@@H]1CNCc2c(-c3ccc(F)cc3)cnn21 ZINC000584648824 358303192 /nfs/dbraw/zinc/30/31/92/358303192.db2.gz UKGXSEFKWZSIBF-SECBINFHSA-N 0 3 231.274 2.353 10 0 BEAEHN Cc1[nH]c(N)nc1-c1cccc(C)c1F ZINC000584644319 358329258 /nfs/dbraw/zinc/32/92/58/358329258.db2.gz FDQLGFDGVNMAIF-UHFFFAOYSA-N 0 3 205.236 2.245 10 0 BEAEHN c1cc2c3c(c1)[C@H](C1CC1)CCN3CCNC2 ZINC000584640341 358326126 /nfs/dbraw/zinc/32/61/26/358326126.db2.gz YPASNLLLQIMLSM-ZDUSSCGKSA-N 0 3 228.339 2.494 10 0 BEAEHN C1CC[C@@H](c2[nH]nc3c2CSCC3)NC1 ZINC000211425731 358448066 /nfs/dbraw/zinc/44/80/66/358448066.db2.gz LQEVNRHWCQZBIC-JTQLQIEISA-N 0 3 223.345 2.014 10 0 BEAEHN COc1cccc(F)c1[C@@H](C)NC[C@H](C)CO ZINC000135125843 491132725 /nfs/dbraw/zinc/13/27/25/491132725.db2.gz RRIPGLDGXXHUTN-VHSXEESVSA-N 0 3 241.306 2.113 10 0 BEAEHN O=C1CCCCC[C@H]1CN1CCSCC1 ZINC000053926076 358580576 /nfs/dbraw/zinc/58/05/76/358580576.db2.gz DDWQTNZDMLAQHR-NSHDSACASA-N 0 3 227.373 2.185 10 0 BEAEHN C[C@H](NCC1(CCO)CCC1)c1cncs1 ZINC000130996058 358656679 /nfs/dbraw/zinc/65/66/79/358656679.db2.gz QTKFNGGTMXLHLZ-JTQLQIEISA-N 0 3 240.372 2.346 10 0 BEAEHN CC[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000131030799 358658251 /nfs/dbraw/zinc/65/82/51/358658251.db2.gz ONNXTAHFIVIHKE-NXEZZACHSA-N 0 3 222.336 2.064 10 0 BEAEHN COC(=O)c1coc(CN[C@H]2CC[C@@H](C)C2)c1 ZINC000131276732 358667264 /nfs/dbraw/zinc/66/72/64/358667264.db2.gz QDIUKKIPIGMVOJ-KOLCDFICSA-N 0 3 237.299 2.344 10 0 BEAEHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(F)(F)F ZINC000175591346 134287842 /nfs/dbraw/zinc/28/78/42/134287842.db2.gz IXJRTIISCQPQCX-ZJUUUORDSA-N 0 3 236.281 2.107 10 0 BEAEHN Cc1cccc(CCNCc2nccn2C)c1 ZINC000051670143 358757185 /nfs/dbraw/zinc/75/71/85/358757185.db2.gz QDNFTZXCSIGRAA-UHFFFAOYSA-N 0 3 229.327 2.061 10 0 BEAEHN CCc1ccc(CN[C@H](C)[C@@H]2CCCO2)o1 ZINC000051721979 358760720 /nfs/dbraw/zinc/76/07/20/358760720.db2.gz COWNTULAOAGMEN-MFKMUULPSA-N 0 3 223.316 2.499 10 0 BEAEHN CC(C)[C@@H](N[C@H]1CCCNC1=O)c1ccccc1 ZINC000050395351 358726449 /nfs/dbraw/zinc/72/64/49/358726449.db2.gz JZPXWTBERVMVTH-UONOGXRCSA-N 0 3 246.354 2.252 10 0 BEAEHN CC(C)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000132738820 358734903 /nfs/dbraw/zinc/73/49/03/358734903.db2.gz OLTZOLVNFVZQIM-UHFFFAOYSA-N 0 3 249.358 2.375 10 0 BEAEHN CC(C)[C@H](N[C@H]1CCOC1)c1cccnc1 ZINC000134009806 358775583 /nfs/dbraw/zinc/77/55/83/358775583.db2.gz FFCZFQDSZXFOMA-STQMWFEESA-N 0 3 220.316 2.157 10 0 BEAEHN C[C@@H]1CN[C@H]([C@H]2CCCSC2)SC1 ZINC000306150611 358872664 /nfs/dbraw/zinc/87/26/64/358872664.db2.gz DHEMKTQGVNWGFL-UTLUCORTSA-N 0 3 217.403 2.428 10 0 BEAEHN c1c[nH]c(CN[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000136725596 358885559 /nfs/dbraw/zinc/88/55/59/358885559.db2.gz DFOXKNYNJRAYNL-LBPRGKRZSA-N 0 3 249.358 2.381 10 0 BEAEHN COCCNCc1ccccc1OCC1CC1 ZINC000059180739 358919319 /nfs/dbraw/zinc/91/93/19/358919319.db2.gz KDPJTOBRCVGXMR-UHFFFAOYSA-N 0 3 235.327 2.211 10 0 BEAEHN CC[C@H](C)N(C)CC(=O)NC(C)(C)CC ZINC000060575351 358927029 /nfs/dbraw/zinc/92/70/29/358927029.db2.gz GWIOLZSNRZSVHN-JTQLQIEISA-N 0 3 214.353 2.022 10 0 BEAEHN C[C@@H]1CN[C@@H]([C@]2(C)CCCS2)S1 ZINC000306155073 358941726 /nfs/dbraw/zinc/94/17/26/358941726.db2.gz CTNHSGAVYSUDHO-HLTSFMKQSA-N 0 3 203.376 2.323 10 0 BEAEHN CCCN1CC[C@@](O)(c2ccsc2)C1 ZINC000306158141 358953111 /nfs/dbraw/zinc/95/31/11/358953111.db2.gz DIEXEKFXWVOYSN-NSHDSACASA-N 0 3 211.330 2.051 10 0 BEAEHN Cc1nc(NC2CC2)c(Cl)cc1CN ZINC000306196402 359025247 /nfs/dbraw/zinc/02/52/47/359025247.db2.gz QHEOTYAKANNMPL-UHFFFAOYSA-N 0 3 211.696 2.076 10 0 BEAEHN C[C@@H]1C[C@@H]1NC1=N[C@H]2CCC[C@H]2CS1 ZINC000300402776 358989923 /nfs/dbraw/zinc/98/99/23/358989923.db2.gz QYCBJCWDGADGTA-KATARQTJSA-N 0 3 210.346 2.256 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NC[C@@H]1CCCOC1 ZINC000070528882 359058273 /nfs/dbraw/zinc/05/82/73/359058273.db2.gz JVXUBWCXXSGCJC-AAEUAGOBSA-N 0 3 233.311 2.136 10 0 BEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CC=CCC1 ZINC000247100117 359193678 /nfs/dbraw/zinc/19/36/78/359193678.db2.gz IJJORKOBCCMAJH-MCIONIFRSA-N 0 3 248.370 2.038 10 0 BEAEHN C[C@@H]1CC[C@](N)(c2ncc(Cl)cn2)C1 ZINC000306212408 359307068 /nfs/dbraw/zinc/30/70/68/359307068.db2.gz VQTMFMTXAWTZBI-GMSGAONNSA-N 0 3 211.696 2.104 10 0 BEAEHN C[C@H](N)[C@](C)(F)c1ccc(F)c(F)c1 ZINC000306216069 359322547 /nfs/dbraw/zinc/32/25/47/359322547.db2.gz PCNKCOQDFRIFJO-WKEGUHRASA-N 0 3 203.207 2.497 10 0 BEAEHN C[C@@H](N)[C@](C)(F)c1ccc(F)c(F)c1 ZINC000306216066 359322608 /nfs/dbraw/zinc/32/26/08/359322608.db2.gz PCNKCOQDFRIFJO-LDWIPMOCSA-N 0 3 203.207 2.497 10 0 BEAEHN O=C(c1ccsc1Cl)[C@@H]1CCCN1 ZINC000306219437 359338266 /nfs/dbraw/zinc/33/82/66/359338266.db2.gz PYASAXHBJPSQFA-ZETCQYMHSA-N 0 3 215.705 2.336 10 0 BEAEHN O=C1C[C@H](N2CCCCC2)CN1c1ccccc1 ZINC000006096787 359664599 /nfs/dbraw/zinc/66/45/99/359664599.db2.gz HXYYSKMOHXXOAW-AWEZNQCLSA-N 0 3 244.338 2.278 10 0 BEAEHN N[C@@H](c1ccsc1Cl)[C@@H]1CCOC1 ZINC000306348017 359667434 /nfs/dbraw/zinc/66/74/34/359667434.db2.gz FYHDENZXAITUDF-HTRCEHHLSA-N 0 3 217.721 2.438 10 0 BEAEHN C[C@H]1CSC[C@@]12NC[C@@H](C)CS2 ZINC000306349157 359669797 /nfs/dbraw/zinc/66/97/97/359669797.db2.gz JFALHFAUEYJNTO-VGMNWLOBSA-N 0 3 203.376 2.038 10 0 BEAEHN N[C@H](c1ccoc1Br)C1=COCC1 ZINC000306369168 359698910 /nfs/dbraw/zinc/69/89/10/359698910.db2.gz IDAQYYQLIUKXFU-QMMMGPOBSA-N 0 3 244.088 2.346 10 0 BEAEHN C[C@H](c1ccsc1)N1CC[C@@H](CO)C1 ZINC000224467660 359725534 /nfs/dbraw/zinc/72/55/34/359725534.db2.gz QVWHGVOCLTUFER-NXEZZACHSA-N 0 3 211.330 2.123 10 0 BEAEHN C[C@H]1N=C(N[C@@H]2CCSC2)SC[C@H]1C ZINC000231359806 359915258 /nfs/dbraw/zinc/91/52/58/359915258.db2.gz OAGCPNKXBCYSLR-IWSPIJDZSA-N 0 3 230.402 2.209 10 0 BEAEHN FC(F)(F)[C@@H]1CC[C@@H]1NC1CSC1 ZINC000306449335 360015953 /nfs/dbraw/zinc/01/59/53/360015953.db2.gz YDALIYLCYSILGP-RQJHMYQMSA-N 0 3 211.252 2.032 10 0 BEAEHN C[C@@H]1CN[C@H]([C@@H]2CCCSC2)S1 ZINC000306448742 360016282 /nfs/dbraw/zinc/01/62/82/360016282.db2.gz JORGHSWCVDBLQS-HLTSFMKQSA-N 0 3 203.376 2.181 10 0 BEAEHN FC(F)(F)[C@H]1CC[C@@H]1NC1CSC1 ZINC000306449332 360016304 /nfs/dbraw/zinc/01/63/04/360016304.db2.gz YDALIYLCYSILGP-BQBZGAKWSA-N 0 3 211.252 2.032 10 0 BEAEHN CC[C@H](C)[C@H](C)N[C@@H]1CCCn2nc(C)nc21 ZINC000090226099 360066862 /nfs/dbraw/zinc/06/68/62/360066862.db2.gz BNDNFGLXJLRDRR-JBLDHEPKSA-N 0 3 236.363 2.446 10 0 BEAEHN C[C@@H]1C[C@]2(CN1Cc1ccccc1)NCCS2 ZINC000306485963 360162241 /nfs/dbraw/zinc/16/22/41/360162241.db2.gz OGBQLBKULWLTOK-OCCSQVGLSA-N 0 3 248.395 2.314 10 0 BEAEHN c1csc(CN2CCC(n3cncn3)CC2)c1 ZINC000092648213 360187651 /nfs/dbraw/zinc/18/76/51/360187651.db2.gz DXUNPZVLFWQNCH-UHFFFAOYSA-N 0 3 248.355 2.177 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2NC[C@@H](C)CC ZINC000093081596 360215352 /nfs/dbraw/zinc/21/53/52/360215352.db2.gz FHTFJOLUDPLPGR-WDEREUQCSA-N 0 3 236.363 2.311 10 0 BEAEHN COC1([C@H]2NC[C@H](C)S2)CCCCC1 ZINC000306536962 360403436 /nfs/dbraw/zinc/40/34/36/360403436.db2.gz KYGOBGDORRYVBI-UWVGGRQHSA-N 0 3 215.362 2.387 10 0 BEAEHN CC[C@]1([C@@H]2CCOC2)N[C@H](C)CCS1 ZINC000306545439 360414366 /nfs/dbraw/zinc/41/43/66/360414366.db2.gz VXDIKEWZBNMVPI-MXWKQRLJSA-N 0 3 215.362 2.244 10 0 BEAEHN NCC1(c2c(Cl)cccc2Cl)OCCO1 ZINC000306559754 360434768 /nfs/dbraw/zinc/43/47/68/360434768.db2.gz ATDGYWDBCPZFBG-UHFFFAOYSA-N 0 3 248.109 2.152 10 0 BEAEHN N[C@H](C[C@H]1CCCCO1)c1ccns1 ZINC000306592128 360510440 /nfs/dbraw/zinc/51/04/40/360510440.db2.gz WBXCFXLXNIPESB-RKDXNWHRSA-N 0 3 212.318 2.102 10 0 BEAEHN CC(C)(N)c1nc2c(cccc2Cl)[nH]1 ZINC000040911299 360747158 /nfs/dbraw/zinc/74/71/58/360747158.db2.gz WEINEOFBOHONMU-UHFFFAOYSA-N 0 3 209.680 2.410 10 0 BEAEHN Cc1ncc([C@H](C)N[C@H]2CCC[C@@H](O)C2)s1 ZINC000309549240 491151080 /nfs/dbraw/zinc/15/10/80/491151080.db2.gz HPPNCCRSBDAXGO-INTQDDNPSA-N 0 3 240.372 2.406 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCO[C@H]2C)c(F)c1 ZINC000631104924 360948365 /nfs/dbraw/zinc/94/83/65/360948365.db2.gz QBCIVOKJXDDPOR-GXFFZTMASA-N 0 3 223.291 2.401 10 0 BEAEHN NC1(C(=O)N(Cc2ccco2)C2CC2)CCCC1 ZINC000037806148 181324049 /nfs/dbraw/zinc/32/40/49/181324049.db2.gz XFTBIFRLDQESHA-UHFFFAOYSA-N 0 3 248.326 2.042 10 0 BEAEHN NC1(C(=O)N2C[C@H]3CCCCC[C@@H]32)CCCC1 ZINC000368396562 181324575 /nfs/dbraw/zinc/32/45/75/181324575.db2.gz DTQZMGPBTWRYNC-NEPJUHHUSA-N 0 3 236.359 2.049 10 0 BEAEHN NC1(c2cc(F)c(F)c(F)c2F)CC1 ZINC000075934177 181333855 /nfs/dbraw/zinc/33/38/55/181333855.db2.gz XDVIBZOUOUOWPY-UHFFFAOYSA-N 0 3 205.154 2.191 10 0 BEAEHN NC1(c2csc(C(F)(F)F)n2)CC1 ZINC000083287576 181335305 /nfs/dbraw/zinc/33/53/05/181335305.db2.gz BXDQMOIQLSJCKT-UHFFFAOYSA-N 0 3 208.208 2.110 10 0 BEAEHN NC1(c2nc(-c3cccnc3)c[nH]2)CCCC1 ZINC000037616875 181335352 /nfs/dbraw/zinc/33/53/52/181335352.db2.gz SAHQXSWDQIXLOF-UHFFFAOYSA-N 0 3 228.299 2.200 10 0 BEAEHN C[C@@H]1OCC[C@H]1NCc1scnc1C1CC1 ZINC000309913218 491158148 /nfs/dbraw/zinc/15/81/48/491158148.db2.gz NXXIDJDSAFVEEF-WCBMZHEXSA-N 0 3 238.356 2.288 10 0 BEAEHN C[C@@H]1Cc2c(cc(F)c(F)c2F)CN1 ZINC000070622358 361666502 /nfs/dbraw/zinc/66/65/02/361666502.db2.gz GQXYGNHVDHBQNR-RXMQYKEDSA-N 0 3 201.191 2.138 10 0 BEAEHN C[C@H]1Cc2c(cc(F)c(F)c2F)CN1 ZINC000070622359 361666827 /nfs/dbraw/zinc/66/68/27/361666827.db2.gz GQXYGNHVDHBQNR-YFKPBYRVSA-N 0 3 201.191 2.138 10 0 BEAEHN COCc1cc(-c2ncc(CN)s2)cs1 ZINC000629749587 361682168 /nfs/dbraw/zinc/68/21/68/361682168.db2.gz SDPGJUWDDRSAGC-UHFFFAOYSA-N 0 3 240.353 2.477 10 0 BEAEHN Cc1ccc(CNC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000156027070 201383974 /nfs/dbraw/zinc/38/39/74/201383974.db2.gz LNBCKRHNUVAFHC-KBPBESRZSA-N 0 3 234.343 2.031 10 0 BEAEHN CC1Oc2c(ccc(Cl)c2F)C1=O ZINC000130678272 364026503 /nfs/dbraw/zinc/02/65/03/364026503.db2.gz VXIPFJBCSBXQJD-SCSAIBSYSA-N 0 3 200.596 2.443 10 0 BEAEHN COc1cccc(F)c1[C@H](C)NC[C@H](C)CO ZINC000135125806 541361592 /nfs/dbraw/zinc/36/15/92/541361592.db2.gz RRIPGLDGXXHUTN-UWVGGRQHSA-N 0 3 241.306 2.113 10 0 BEAEHN c1ccc2c(CN[C@H]3CCOC3)ccnc2c1 ZINC000095015767 541387878 /nfs/dbraw/zinc/38/78/78/541387878.db2.gz AYRHOWNMQBWXAB-LBPRGKRZSA-N 0 3 228.295 2.113 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)C(C)C ZINC000171970434 365264199 /nfs/dbraw/zinc/26/41/99/365264199.db2.gz SHXFAEGXQJMJAW-QWHCGFSZSA-N 0 3 242.407 2.371 10 0 BEAEHN CC[C@H](C)[C@H](C)NCc1nnc(C2CC2)n1C ZINC000183061957 366972560 /nfs/dbraw/zinc/97/25/60/366972560.db2.gz SHYNYFMHLUBDKX-UWVGGRQHSA-N 0 3 236.363 2.217 10 0 BEAEHN CCC[C@H](C)c1cc2nccc(CN)n2n1 ZINC000233342193 541508331 /nfs/dbraw/zinc/50/83/31/541508331.db2.gz XSUIWCHFCREISE-VIFPVBQESA-N 0 3 218.304 2.092 10 0 BEAEHN CC[C@H](N[C@@H]1CCCNC1=O)c1ccsc1 ZINC000382104135 367485674 /nfs/dbraw/zinc/48/56/74/367485674.db2.gz JRNAQWTUIGPHFF-WDEREUQCSA-N 0 3 238.356 2.067 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cccc(C(F)F)c1 ZINC000386319435 367950099 /nfs/dbraw/zinc/95/00/99/367950099.db2.gz CKWDBVILTQCLOK-SSDOTTSWSA-N 0 3 228.242 2.171 10 0 BEAEHN COc1c(CN[C@@H]2CC23CCCC3)c(C)nn1C ZINC000386901907 368033106 /nfs/dbraw/zinc/03/31/06/368033106.db2.gz LYRACLPTZXSWMB-GFCCVEGCSA-N 0 3 249.358 2.159 10 0 BEAEHN CCc1ccc2c(c1)oc(=O)c1c2CCNC1 ZINC000039405449 368330412 /nfs/dbraw/zinc/33/04/12/368330412.db2.gz KOFWZQGRTMEPNC-UHFFFAOYSA-N 0 3 229.279 2.001 10 0 BEAEHN CCC[C@H](C(=O)NCC1(CCC)CC1)N(C)C ZINC000154605928 326153026 /nfs/dbraw/zinc/15/30/26/326153026.db2.gz DFEPSKYRWDLDCQ-GFCCVEGCSA-N 0 3 240.391 2.413 10 0 BEAEHN c1ccc2c(c1)cncc2[C@H]1COCCCN1 ZINC000616599971 369101191 /nfs/dbraw/zinc/10/11/91/369101191.db2.gz UINNQZWMMQKPMQ-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN NCc1ccncc1Oc1ccc(F)cc1 ZINC000162460982 259537604 /nfs/dbraw/zinc/53/76/04/259537604.db2.gz SMPLOHYOYBWWRI-UHFFFAOYSA-N 0 3 218.231 2.472 10 0 BEAEHN NCc1ncc(OC2CC2)cc1C(F)(F)F ZINC000095719710 181502715 /nfs/dbraw/zinc/50/27/15/181502715.db2.gz XJHYUMOQGGYLQS-UHFFFAOYSA-N 0 3 232.205 2.100 10 0 BEAEHN CCC[C@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000389961602 371183762 /nfs/dbraw/zinc/18/37/62/371183762.db2.gz WAZLYDKAASZLKO-JQWIXIFHSA-N 0 3 207.321 2.468 10 0 BEAEHN N[C@@H](Cc1ccccn1)c1ccccc1F ZINC000020429131 181559000 /nfs/dbraw/zinc/55/90/00/181559000.db2.gz MGYXVXSZAHLGDM-ZDUSSCGKSA-N 0 3 216.259 2.463 10 0 BEAEHN N[C@@H](c1ccc2c(c1)COC2)[C@@H]1CCCCO1 ZINC000062331963 181564446 /nfs/dbraw/zinc/56/44/46/181564446.db2.gz OOJGBUXDCQKFDM-KBPBESRZSA-N 0 3 233.311 2.286 10 0 BEAEHN Cc1cnn(CCNCc2ccc(C)cc2F)c1 ZINC000631064658 371249180 /nfs/dbraw/zinc/24/91/80/371249180.db2.gz MNAHFRACVLBOFV-UHFFFAOYSA-N 0 3 247.317 2.429 10 0 BEAEHN N[C@@H](c1ccc(F)c(Cl)c1)c1cncnc1 ZINC000062792091 181635288 /nfs/dbraw/zinc/63/52/88/181635288.db2.gz LWUOBLOAMVGOBQ-NSHDSACASA-N 0 3 237.665 2.317 10 0 BEAEHN Cc1ccc(CNC[C@H]2CCC[C@H]2O)c(F)c1 ZINC000631080578 371496764 /nfs/dbraw/zinc/49/67/64/371496764.db2.gz ZTWFSPPRTPCFAY-TZMCWYRMSA-N 0 3 237.318 2.385 10 0 BEAEHN NCc1ccc(OC(F)F)cc1Cl ZINC000226051174 371604602 /nfs/dbraw/zinc/60/46/02/371604602.db2.gz HWGLSWRATPFDEJ-UHFFFAOYSA-N 0 3 207.607 2.400 10 0 BEAEHN CN[C@H](c1ccsc1C)[C@H]1CCCO1 ZINC000227792273 371939966 /nfs/dbraw/zinc/93/99/66/371939966.db2.gz FAJQFURLYQRIIA-GHMZBOCLSA-N 0 3 211.330 2.496 10 0 BEAEHN CCC[C@@H]1NCC[C@H](C)[S@@](=O)[C@@H]1CC ZINC000227578071 371896885 /nfs/dbraw/zinc/89/68/85/371896885.db2.gz VLLGXMHTKGLYGG-KZWBYHQPSA-N 0 3 217.378 2.064 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000627727948 371917735 /nfs/dbraw/zinc/91/77/35/371917735.db2.gz WSFOLERYKYPYNH-NWDGAFQWSA-N 0 3 248.370 2.424 10 0 BEAEHN CC[C@@H]1C[C@]1(N)c1ccc(Br)cn1 ZINC000133350169 372028114 /nfs/dbraw/zinc/02/81/14/372028114.db2.gz YJKWBIDIDHFNNE-GMSGAONNSA-N 0 3 241.132 2.428 10 0 BEAEHN C[C@H]1C[C@]1(N)c1ncccc1Br ZINC000133346396 372028404 /nfs/dbraw/zinc/02/84/04/372028404.db2.gz DBOVGACUNPMBNY-IMTBSYHQSA-N 0 3 227.105 2.038 10 0 BEAEHN Cc1nc(NC(C)C)c(Cl)cc1CN ZINC000306562636 372037205 /nfs/dbraw/zinc/03/72/05/372037205.db2.gz OKRLYQAFGFTDCX-UHFFFAOYSA-N 0 3 213.712 2.322 10 0 BEAEHN C[C@@H]1CCC[C@@H]([C@H](N)c2cnsn2)C1 ZINC000163534146 372009520 /nfs/dbraw/zinc/00/95/20/372009520.db2.gz UGMGHRWZFLFDBR-MRTMQBJTSA-N 0 3 211.334 2.364 10 0 BEAEHN N[C@H]1CCCc2c(F)cc(F)c(F)c21 ZINC000228799171 372082045 /nfs/dbraw/zinc/08/20/45/372082045.db2.gz GNVFRCYZIXJOPX-QMMMGPOBSA-N 0 3 201.191 2.440 10 0 BEAEHN N[C@H](c1cnsc1)[C@H]1CCCS1 ZINC000405010328 372128043 /nfs/dbraw/zinc/12/80/43/372128043.db2.gz OEYKLQBCWHFRRW-HTQZYQBOSA-N 0 3 200.332 2.039 10 0 BEAEHN COc1ccc(C)cc1CN[C@@H]1CCCN(C)C1 ZINC000040672765 373591361 /nfs/dbraw/zinc/59/13/61/373591361.db2.gz KDWDIQOJRKSLJC-CQSZACIVSA-N 0 3 248.370 2.187 10 0 BEAEHN C[C@@H](C1CCCC1)N1CCC(=O)[C@@H](C)C1 ZINC000069805185 373813792 /nfs/dbraw/zinc/81/37/92/373813792.db2.gz SCUOXWHJRIMWCV-QWRGUYRKSA-N 0 3 209.333 2.476 10 0 BEAEHN Brc1ccoc1[C@@H]1CCCN1 ZINC000069841605 373852761 /nfs/dbraw/zinc/85/27/61/373852761.db2.gz XDBKBDKJPCIRDJ-ZETCQYMHSA-N 0 3 216.078 2.467 10 0 BEAEHN Cc1c(C=O)c2ccccc2n1CCN(C)C ZINC000040956352 373970874 /nfs/dbraw/zinc/97/08/74/373970874.db2.gz LWQNRJVHJCJDGL-UHFFFAOYSA-N 0 3 230.311 2.324 10 0 BEAEHN CCC[C@@H](C(=O)NCC(C)(C)CC)N(C)C ZINC000192226943 205948348 /nfs/dbraw/zinc/94/83/48/205948348.db2.gz WWNVMSMKMDGHAA-NSHDSACASA-N 0 3 228.380 2.269 10 0 BEAEHN C[C@@H](N)c1csc([C@H]2CCCOC2)n1 ZINC000070842478 374202776 /nfs/dbraw/zinc/20/27/76/374202776.db2.gz CXEWNTJOWDLQKO-SFYZADRCSA-N 0 3 212.318 2.057 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1CN1CCC(=O)CC1 ZINC000042863742 374295364 /nfs/dbraw/zinc/29/53/64/374295364.db2.gz LHZRHDMATNZBID-VXGBXAGGSA-N 0 3 209.333 2.478 10 0 BEAEHN CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037619928 169007283 /nfs/dbraw/zinc/00/72/83/169007283.db2.gz VWGMEEKQYMVASP-QWRGUYRKSA-N 0 3 238.331 2.283 10 0 BEAEHN OC[C@@H](N[C@@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001973 183109455 /nfs/dbraw/zinc/10/94/55/183109455.db2.gz JOFLEIBODMZXIG-KFWWJZLASA-N 0 3 249.354 2.003 10 0 BEAEHN OC[C@@]1(NCc2ccccc2)CCCSC1 ZINC000061590839 183134691 /nfs/dbraw/zinc/13/46/91/183134691.db2.gz NBYUTANGLAHUPJ-ZDUSSCGKSA-N 0 3 237.368 2.034 10 0 BEAEHN CCCCc1ccc(-n2nncc2CN)cc1 ZINC000062220119 169019954 /nfs/dbraw/zinc/01/99/54/169019954.db2.gz KOOFLQYWRNYMPD-UHFFFAOYSA-N 0 3 230.315 2.069 10 0 BEAEHN OC[C@H](NC1CC1)c1cccc(Cl)c1 ZINC000038124260 183139850 /nfs/dbraw/zinc/13/98/50/183139850.db2.gz JVMNYYAAXSVKTJ-NSHDSACASA-N 0 3 211.692 2.125 10 0 BEAEHN OC[C@H](NC1CCCC1)c1ccccc1F ZINC000038122986 183140161 /nfs/dbraw/zinc/14/01/61/183140161.db2.gz FDPOWEGYKWUBSY-ZDUSSCGKSA-N 0 3 223.291 2.391 10 0 BEAEHN CCCCc1nccn1-c1ccncc1N ZINC000085343095 169028025 /nfs/dbraw/zinc/02/80/25/169028025.db2.gz RMSUHFYNYNEGCS-UHFFFAOYSA-N 0 3 216.288 2.192 10 0 BEAEHN OC[C@]1(NC2CCCC2)CCOc2ccccc21 ZINC000038122634 183159395 /nfs/dbraw/zinc/15/93/95/183159395.db2.gz APVOKIGZABYWQK-OAHLLOKOSA-N 0 3 247.338 2.189 10 0 BEAEHN O[C@@H]1CC[C@H](NCc2cc(Cl)cs2)C1 ZINC000307599552 183205172 /nfs/dbraw/zinc/20/51/72/183205172.db2.gz RAYWFAKNLIGEHK-DTWKUNHWSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@@H]1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC000307025058 183205196 /nfs/dbraw/zinc/20/51/96/183205196.db2.gz BNFFXJJBOOQYQR-JGVFFNPUSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1cc(F)ccc1F ZINC000051996194 183189711 /nfs/dbraw/zinc/18/97/11/183189711.db2.gz WJIGUVDAMRCUKG-QWHCGFSZSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1 ZINC000037691365 183189851 /nfs/dbraw/zinc/18/98/51/183189851.db2.gz PBICIJKIWIAPQY-QWHCGFSZSA-N 0 3 223.291 2.219 10 0 BEAEHN O[C@@H]1CCCN[C@H]1c1ccccc1Cl ZINC000082372977 183193207 /nfs/dbraw/zinc/19/32/07/183193207.db2.gz ALSKCVLWZUYSNV-MNOVXSKESA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H](CCN1CCCCC1)c1ccco1 ZINC000026510468 183219584 /nfs/dbraw/zinc/21/95/84/183219584.db2.gz HNBCCCKACHQLRJ-LLVKDONJSA-N 0 3 209.289 2.189 10 0 BEAEHN CCCN(C)Cc1cc(CNCC(C)C)no1 ZINC000052444492 169081468 /nfs/dbraw/zinc/08/14/68/169081468.db2.gz SAMUHTHSKITECU-UHFFFAOYSA-N 0 3 239.363 2.262 10 0 BEAEHN O[C@H](CNC1CC1)c1c(F)cccc1Cl ZINC000032015825 183223030 /nfs/dbraw/zinc/22/30/30/183223030.db2.gz KYPZXOBWRODWDE-SNVBAGLBSA-N 0 3 229.682 2.265 10 0 BEAEHN O[C@H]1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000041225896 183241086 /nfs/dbraw/zinc/24/10/86/183241086.db2.gz JIKYCLGMRKFQKM-WDEREUQCSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H]1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000041225894 183241250 /nfs/dbraw/zinc/24/12/50/183241250.db2.gz JIKYCLGMRKFQKM-QWRGUYRKSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H]1c2ccccc2OC[C@@H]1N1CCCCCC1 ZINC000044118089 183250712 /nfs/dbraw/zinc/25/07/12/183250712.db2.gz XCDLIDGAXCYDRT-ZFWWWQNUSA-N 0 3 247.338 2.357 10 0 BEAEHN [O-]c1c(Br)cccc1[C@H]1CC[NH2+]C1 ZINC000096877773 183252469 /nfs/dbraw/zinc/25/24/69/183252469.db2.gz YJHHORVVKPTXMJ-ZETCQYMHSA-N 0 3 242.116 2.232 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1ccsc1 ZINC000051991021 183233376 /nfs/dbraw/zinc/23/33/76/183233376.db2.gz ARIAYECEEDYYHG-MNOVXSKESA-N 0 3 211.330 2.141 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2cccc(F)c2F)C1 ZINC000104238340 183235502 /nfs/dbraw/zinc/23/55/02/183235502.db2.gz UVBRAHASPKQPHQ-MNOVXSKESA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC000125655217 183236363 /nfs/dbraw/zinc/23/63/63/183236363.db2.gz SZUAFLVEZHZUAG-MFKMUULPSA-N 0 3 241.281 2.215 10 0 BEAEHN CCCN(CC)c1nc2ccccn2c1CNC ZINC000035449202 169133259 /nfs/dbraw/zinc/13/32/59/169133259.db2.gz NDKDBAUYWNIREG-UHFFFAOYSA-N 0 3 246.358 2.290 10 0 BEAEHN CCCN(CCC)C(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000019432142 169142588 /nfs/dbraw/zinc/14/25/88/169142588.db2.gz HBHXGDJOWYECMX-NEPJUHHUSA-N 0 3 226.364 2.166 10 0 BEAEHN Oc1cccc2c1CC[C@@H]2NC[C@H]1CCCO1 ZINC000036852174 183295249 /nfs/dbraw/zinc/29/52/49/183295249.db2.gz HOMOBSPFRSPMOS-MFKMUULPSA-N 0 3 233.311 2.148 10 0 BEAEHN CCCN(CCO)Cc1ccc2ccccc2n1 ZINC000049857013 169166400 /nfs/dbraw/zinc/16/64/00/169166400.db2.gz IBJWYIPXCMNKFL-UHFFFAOYSA-N 0 3 244.338 2.439 10 0 BEAEHN CCCNCC(=O)c1ccc(OC)c(F)c1 ZINC000049819998 169255759 /nfs/dbraw/zinc/25/57/59/169255759.db2.gz URUWICYNXANUGC-UHFFFAOYSA-N 0 3 225.263 2.017 10 0 BEAEHN c1cc(C[C@H]2CC3CCN2CC3)cc2c1OCO2 ZINC000000213423 183369662 /nfs/dbraw/zinc/36/96/62/183369662.db2.gz UJGYSUWZJIHQPA-CYBMUJFWSA-N 0 3 245.322 2.442 10 0 BEAEHN CCCNC(=O)Nc1ccccc1[C@H](C)N ZINC000020256742 169240036 /nfs/dbraw/zinc/24/00/36/169240036.db2.gz IULPFTSSZSYWAN-VIFPVBQESA-N 0 3 221.304 2.238 10 0 BEAEHN CCCN[C@H](CO)c1ccc(Cl)cc1 ZINC000038123375 169289311 /nfs/dbraw/zinc/28/93/11/169289311.db2.gz KRRULQRQUJTSBL-LLVKDONJSA-N 0 3 213.708 2.373 10 0 BEAEHN CCCN[C@H](c1ccc(C)o1)[C@H]1COCCO1 ZINC000055301199 169289962 /nfs/dbraw/zinc/28/99/62/169289962.db2.gz LFXRCIRQDGFWAU-CHWSQXEVSA-N 0 3 239.315 2.044 10 0 BEAEHN CCCNCc1ccc(N2CCCC2(C)C)nn1 ZINC000063073652 169266488 /nfs/dbraw/zinc/26/64/88/169266488.db2.gz CSJGTUPJCRYDAZ-UHFFFAOYSA-N 0 3 248.374 2.355 10 0 BEAEHN CCCNCc1ccc(COCCOCC)o1 ZINC000052604150 169266676 /nfs/dbraw/zinc/26/66/76/169266676.db2.gz BUOUBLPORKQOLR-UHFFFAOYSA-N 0 3 241.331 2.332 10 0 BEAEHN c1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000040380407 183397234 /nfs/dbraw/zinc/39/72/34/183397234.db2.gz KKAKXQFKDCFWBM-UHFFFAOYSA-N 0 3 243.310 2.449 10 0 BEAEHN CCCN[C@@H](C[C@H]1CCCO1)c1cncnc1 ZINC000052887145 169279759 /nfs/dbraw/zinc/27/97/59/169279759.db2.gz MQWQYOYANPJBDV-OLZOCXBDSA-N 0 3 235.331 2.086 10 0 BEAEHN CCCN[C@@H]1COc2ccc(CCOC)cc21 ZINC000035657671 169282800 /nfs/dbraw/zinc/28/28/00/169282800.db2.gz TWKANWSMHVLOGH-CYBMUJFWSA-N 0 3 235.327 2.309 10 0 BEAEHN CCCN[C@@H]1COc2ccc(OC)cc21 ZINC000035652802 169283040 /nfs/dbraw/zinc/28/30/40/169283040.db2.gz RFNSXACMTXWQIQ-LLVKDONJSA-N 0 3 207.273 2.128 10 0 BEAEHN CCCN[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000049647927 169283089 /nfs/dbraw/zinc/28/30/89/169283089.db2.gz FBYWWCJJRJIUEJ-CYBMUJFWSA-N 0 3 232.327 2.100 10 0 BEAEHN CCCOC[C@H](N)c1cc(OC)ccc1OC ZINC000037025105 169309776 /nfs/dbraw/zinc/30/97/76/169309776.db2.gz DISKRYBVYAHHHD-LBPRGKRZSA-N 0 3 239.315 2.130 10 0 BEAEHN CCCN[C@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976240 169292939 /nfs/dbraw/zinc/29/29/39/169292939.db2.gz KXBWDHBFPYXWCO-ZBEGNZNMSA-N 0 3 241.331 2.378 10 0 BEAEHN CCCN[C@](C)(C(N)=O)c1cc(C)ccc1C ZINC000037513815 169293554 /nfs/dbraw/zinc/29/35/54/169293554.db2.gz QWGQPDUMYHSLCJ-AWEZNQCLSA-N 0 3 234.343 2.004 10 0 BEAEHN CCCOc1ccc([C@H]2CNCCO2)cc1 ZINC000036965110 169322329 /nfs/dbraw/zinc/32/23/29/169322329.db2.gz OOHDOWNBFKCUFG-CYBMUJFWSA-N 0 3 221.300 2.136 10 0 BEAEHN CCCOc1ccc2c(c1)[C@@H](N)CCO2 ZINC000036928640 169322964 /nfs/dbraw/zinc/32/29/64/169322964.db2.gz NKUKACWZOFLRRH-NSHDSACASA-N 0 3 207.273 2.258 10 0 BEAEHN CCCOc1cccc(CNCCN(C)C)c1 ZINC000020967335 169325510 /nfs/dbraw/zinc/32/55/10/169325510.db2.gz ZFTPKBRAYMSUDT-UHFFFAOYSA-N 0 3 236.359 2.127 10 0 BEAEHN CCC[C@@H](C)NCc1cn2c(n1)CCCC2 ZINC000309617270 169370635 /nfs/dbraw/zinc/37/06/35/169370635.db2.gz CCSBUYJZXMVCEK-LLVKDONJSA-N 0 3 221.348 2.498 10 0 BEAEHN CCC[C@@H](C)N(C)CC(=O)Nc1cccc(N)c1 ZINC000036789808 169363759 /nfs/dbraw/zinc/36/37/59/169363759.db2.gz MAWFOPHLTWDNEK-LLVKDONJSA-N 0 3 249.358 2.328 10 0 BEAEHN CCC[C@@H](N)c1nc(-c2ccncc2)c[nH]1 ZINC000036873816 169393544 /nfs/dbraw/zinc/39/35/44/169393544.db2.gz SIYKGNRUWUVVKL-SNVBAGLBSA-N 0 3 216.288 2.272 10 0 BEAEHN CCC[C@@H](N)c1cnc2c(C)cccn12 ZINC000031911676 169393944 /nfs/dbraw/zinc/39/39/44/169393944.db2.gz ZQSSIPQIUVJZCK-SNVBAGLBSA-N 0 3 203.289 2.443 10 0 BEAEHN C[Si](C)(C)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000179683407 134323780 /nfs/dbraw/zinc/32/37/80/134323780.db2.gz PIGDGCQFWJGBQG-SNVBAGLBSA-N 0 3 238.411 2.209 10 0 BEAEHN c1csc(C2CCN([C@H]3CCOC3)CC2)n1 ZINC000336553066 183515396 /nfs/dbraw/zinc/51/53/96/183515396.db2.gz YCOJTGBIXLNXIT-NSHDSACASA-N 0 3 238.356 2.111 10 0 BEAEHN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000183357934 134350982 /nfs/dbraw/zinc/35/09/82/134350982.db2.gz UIINTTCHSHNEAN-RWMBFGLXSA-N 0 3 240.391 2.269 10 0 BEAEHN CCCc1nc(CSC)sc1CN ZINC000082427753 169591726 /nfs/dbraw/zinc/59/17/26/169591726.db2.gz RMNNOBGQEYZVSN-UHFFFAOYSA-N 0 3 216.375 2.417 10 0 BEAEHN Cc1ccc([C@@H](C)NCC(=O)NC2CC2)c(C)c1 ZINC000036782408 383909238 /nfs/dbraw/zinc/90/92/38/383909238.db2.gz JMSRKZBENNTHID-GFCCVEGCSA-N 0 3 246.354 2.233 10 0 BEAEHN Cc1ccc(Cl)c2ccc(C(=N)N)nc12 ZINC000067173645 383916231 /nfs/dbraw/zinc/91/62/31/383916231.db2.gz OOLTWOZJINCMHQ-UHFFFAOYSA-N 0 3 219.675 2.481 10 0 BEAEHN CN[C@H]1COc2c1cccc2Br ZINC000035654540 384088478 /nfs/dbraw/zinc/08/84/78/384088478.db2.gz RHWYXOAEEILBPQ-QMMMGPOBSA-N 0 3 228.089 2.102 10 0 BEAEHN CN[C@@H]1COc2c1cc(C)cc2Br ZINC000035653838 384088639 /nfs/dbraw/zinc/08/86/39/384088639.db2.gz NZVLETDDXHNJKP-SECBINFHSA-N 0 3 242.116 2.410 10 0 BEAEHN Cc1ccc(C(=O)[C@@H]2CCCN2)c(C)c1 ZINC000036157492 384070902 /nfs/dbraw/zinc/07/09/02/384070902.db2.gz HWXHPRMVUHKLSG-LBPRGKRZSA-N 0 3 203.285 2.238 10 0 BEAEHN CC[C@]1(C)CCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000335976926 384179215 /nfs/dbraw/zinc/17/92/15/384179215.db2.gz XHTLBUGBFUDFSF-KGLIPLIRSA-N 0 3 238.375 2.167 10 0 BEAEHN c1n[nH]cc1[C@@H]1CCCCN1CC1=CCCOC1 ZINC000093438404 384239120 /nfs/dbraw/zinc/23/91/20/384239120.db2.gz USKZYFNRGGEOAK-AWEZNQCLSA-N 0 3 247.342 2.283 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1ccnn1C ZINC000278822555 384223206 /nfs/dbraw/zinc/22/32/06/384223206.db2.gz SNXPXHDBJZAWSI-GMTAPVOTSA-N 0 3 207.321 2.259 10 0 BEAEHN CCC[C@@H](C(=O)NC[C@H](C)C(C)C)N(C)C ZINC000179404227 384285995 /nfs/dbraw/zinc/28/59/95/384285995.db2.gz TZFGYNXHOZMLCW-RYUDHWBXSA-N 0 3 228.380 2.125 10 0 BEAEHN C[C@@H]1C[C@@H](N[C@@H](CN(C)C)c2ccccc2)CO1 ZINC000401961356 384343949 /nfs/dbraw/zinc/34/39/49/384343949.db2.gz WUALGIJVVNNWQF-YUELXQCFSA-N 0 3 248.370 2.056 10 0 BEAEHN C[C@@H]1C[C@H](N[C@H](CN(C)C)c2ccccc2)CO1 ZINC000401961355 384344250 /nfs/dbraw/zinc/34/42/50/384344250.db2.gz WUALGIJVVNNWQF-VHDGCEQUSA-N 0 3 248.370 2.056 10 0 BEAEHN NCc1ccnc(OCc2ccc(F)cc2)c1 ZINC000204268575 384455829 /nfs/dbraw/zinc/45/58/29/384455829.db2.gz QCPVNNWRQVJIDN-UHFFFAOYSA-N 0 3 232.258 2.258 10 0 BEAEHN CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000122118302 384456307 /nfs/dbraw/zinc/45/63/07/384456307.db2.gz XXHPHVYFYKGZCC-SDDRHHMPSA-N 0 3 226.364 2.055 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000135311121 384434939 /nfs/dbraw/zinc/43/49/39/384434939.db2.gz GFYXLULFPXGNAZ-MISXGVKJSA-N 0 3 247.338 2.450 10 0 BEAEHN C[C@@H](N)c1csc(-c2ccncc2)n1 ZINC000011568396 384463075 /nfs/dbraw/zinc/46/30/75/384463075.db2.gz BWMRZSQVGCYFOI-SSDOTTSWSA-N 0 3 205.286 2.225 10 0 BEAEHN CN[C@@]1(c2nc(C)cs2)CCCSC1 ZINC000061590711 384519128 /nfs/dbraw/zinc/51/91/28/384519128.db2.gz ZQKPXELGELVPJU-JTQLQIEISA-N 0 3 228.386 2.393 10 0 BEAEHN C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2)CCN1C ZINC000123690210 384578788 /nfs/dbraw/zinc/57/87/88/384578788.db2.gz FBTHMODTKCNMGZ-TZMCWYRMSA-N 0 3 246.354 2.241 10 0 BEAEHN Cc1ccc(N(C)C(=O)[C@@H]2CCC[C@@H](C)N2)cc1 ZINC000050009558 384582551 /nfs/dbraw/zinc/58/25/51/384582551.db2.gz QAXBDFINRNMSHK-OCCSQVGLSA-N 0 3 246.354 2.488 10 0 BEAEHN Cc1cnn(CCN[C@@H](C)c2ccc(C)o2)c1 ZINC000123876819 384590047 /nfs/dbraw/zinc/59/00/47/384590047.db2.gz UNFHUMWSBBECAF-LBPRGKRZSA-N 0 3 233.315 2.444 10 0 BEAEHN Cc1ccc([C@@H](N)Cn2cccn2)c(C)c1 ZINC000011849770 384621401 /nfs/dbraw/zinc/62/14/01/384621401.db2.gz CBPONZMMUWPMFV-ZDUSSCGKSA-N 0 3 215.300 2.200 10 0 BEAEHN c1ccc(Cc2nc3c(s2)CNCC3)cc1 ZINC000011850545 384626265 /nfs/dbraw/zinc/62/62/65/384626265.db2.gz QAHKGWOUVINVQG-UHFFFAOYSA-N 0 3 230.336 2.380 10 0 BEAEHN C[C@H](N[C@H]1CC[C@H](O)CC1)c1ccccn1 ZINC000100248191 384628278 /nfs/dbraw/zinc/62/82/78/384628278.db2.gz RXKDTWWGWWWTCN-SDDRHHMPSA-N 0 3 220.316 2.036 10 0 BEAEHN c1nc2n(n1)CCC[C@@H]2NC[C@@H]1CC=CCC1 ZINC000124480502 384645299 /nfs/dbraw/zinc/64/52/99/384645299.db2.gz KIDYKOZBJSZDHM-NEPJUHHUSA-N 0 3 232.331 2.059 10 0 BEAEHN C[C@H]1Oc2c(cc(F)cc2Br)[C@@H]1N ZINC000043635014 384722900 /nfs/dbraw/zinc/72/29/00/384722900.db2.gz DSSJDNLFGWUGSY-SPGJFGJESA-N 0 3 246.079 2.369 10 0 BEAEHN NCc1cncc(-c2ccccc2F)c1 ZINC000082639055 384698599 /nfs/dbraw/zinc/69/85/99/384698599.db2.gz JKZOFOLTSQQEHX-UHFFFAOYSA-N 0 3 202.232 2.346 10 0 BEAEHN C[C@@H](NCC(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000021961551 384709552 /nfs/dbraw/zinc/70/95/52/384709552.db2.gz RMJGMAXAQOEQNO-SNVBAGLBSA-N 0 3 234.343 2.120 10 0 BEAEHN C[C@H]1Oc2c(cccc2Br)[C@H]1N ZINC000043634673 384718012 /nfs/dbraw/zinc/71/80/12/384718012.db2.gz HLPWSUNIMSZLKN-XRGYYRRGSA-N 0 3 228.089 2.230 10 0 BEAEHN Clc1ccc(-n2ncc3c2CCNC3)cc1 ZINC000082809145 384719764 /nfs/dbraw/zinc/71/97/64/384719764.db2.gz GNWKZMGKZGSODZ-UHFFFAOYSA-N 0 3 233.702 2.171 10 0 BEAEHN C[C@H]1Sc2cc(F)c(F)cc2[C@@H]1N ZINC000043636039 384728605 /nfs/dbraw/zinc/72/86/05/384728605.db2.gz OUOGPHPRMJHWJU-ALFREKQPSA-N 0 3 201.241 2.459 10 0 BEAEHN CN[C@H]1c2cccc(OC)c2S[C@@H]1C ZINC000043636210 384729202 /nfs/dbraw/zinc/72/92/02/384729202.db2.gz OLVPTFCBAMJZRN-GMSGAONNSA-N 0 3 209.314 2.450 10 0 BEAEHN CC(C)=CC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052554761 384735444 /nfs/dbraw/zinc/73/54/44/384735444.db2.gz UEFSEBIDSWYXBZ-CQSZACIVSA-N 0 3 246.354 2.372 10 0 BEAEHN C[C@H](CO)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000083218360 384752273 /nfs/dbraw/zinc/75/22/73/384752273.db2.gz WIOTVJOXOPQTNT-IUCAKERBSA-N 0 3 229.270 2.244 10 0 BEAEHN CCOCc1nc(C)c([C@@H](C)N)s1 ZINC000084064982 384835192 /nfs/dbraw/zinc/83/51/92/384835192.db2.gz UKPDHAAAHCVMAB-ZCFIWIBFSA-N 0 3 200.307 2.008 10 0 BEAEHN CCN(C)CC1=Cc2ccccc2OC1 ZINC000126287881 384789188 /nfs/dbraw/zinc/78/91/88/384789188.db2.gz WDJIGZDGIIUYTC-UHFFFAOYSA-N 0 3 203.285 2.414 10 0 BEAEHN CN(CC[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000053933158 384811749 /nfs/dbraw/zinc/81/17/49/384811749.db2.gz ZXZPKCQGBVABQJ-LSDHHAIUSA-N 0 3 249.354 2.221 10 0 BEAEHN CCc1ccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000087781889 384847156 /nfs/dbraw/zinc/84/71/56/384847156.db2.gz PEEZMNAPRIIWRT-WXHSDQCUSA-N 0 3 221.300 2.252 10 0 BEAEHN CC[C@H](CN[C@H]1CCc2c1cccc2O)OC ZINC000310150577 384862217 /nfs/dbraw/zinc/86/22/17/384862217.db2.gz HZPNBXSNTQAZIP-MFKMUULPSA-N 0 3 235.327 2.394 10 0 BEAEHN CC[C@@H](CN[C@H]1CCc2c1cccc2O)OC ZINC000310150575 384863771 /nfs/dbraw/zinc/86/37/71/384863771.db2.gz HZPNBXSNTQAZIP-GWCFXTLKSA-N 0 3 235.327 2.394 10 0 BEAEHN CCSCC[C@H](C)NCc1nccn1C ZINC000127486435 384866038 /nfs/dbraw/zinc/86/60/38/384866038.db2.gz TYZPIHWOYDIQLM-JTQLQIEISA-N 0 3 227.377 2.041 10 0 BEAEHN Cc1ccc(F)c(CNC(C)(C)[C@H](C)O)c1 ZINC000127138457 384867842 /nfs/dbraw/zinc/86/78/42/384867842.db2.gz ABBVSZKKEVVKIP-JTQLQIEISA-N 0 3 225.307 2.383 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCCC[C@@H]2CO)o1 ZINC000164262933 384953505 /nfs/dbraw/zinc/95/35/05/384953505.db2.gz AWVHHSGEVVMOCP-DGCLKSJQSA-N 0 3 223.316 2.229 10 0 BEAEHN CC(C)=CCNCc1cnc2n1CCCC2 ZINC000376767486 384914649 /nfs/dbraw/zinc/91/46/49/384914649.db2.gz JMVIASKLUHSLQT-UHFFFAOYSA-N 0 3 219.332 2.275 10 0 BEAEHN COC(=O)[C@H](CC(C)C)N1CCC2(CC2)CC1 ZINC000586768394 384914696 /nfs/dbraw/zinc/91/46/96/384914696.db2.gz BRPSVNDCGSTNHF-LBPRGKRZSA-N 0 3 239.359 2.450 10 0 BEAEHN Clc1cccc([C@H]2CN(C3CC3)CCN2)c1 ZINC000056894776 384921605 /nfs/dbraw/zinc/92/16/05/384921605.db2.gz JBRWKBSTOOVGFF-CYBMUJFWSA-N 0 3 236.746 2.449 10 0 BEAEHN Clc1cccc([C@@H]2CN(C3CC3)CCN2)c1 ZINC000056894773 384921814 /nfs/dbraw/zinc/92/18/14/384921814.db2.gz JBRWKBSTOOVGFF-ZDUSSCGKSA-N 0 3 236.746 2.449 10 0 BEAEHN COCc1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000128031529 384981715 /nfs/dbraw/zinc/98/17/15/384981715.db2.gz RBJLENZHFMQNAK-HNNXBMFYSA-N 0 3 249.354 2.444 10 0 BEAEHN CCN(CC)Cc1cc(OC)c(OC)cc1N ZINC000058267310 384993340 /nfs/dbraw/zinc/99/33/40/384993340.db2.gz OWGAFRMLGDZBGY-UHFFFAOYSA-N 0 3 238.331 2.128 10 0 BEAEHN COC(=O)[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000107822299 385001299 /nfs/dbraw/zinc/00/12/99/385001299.db2.gz DUIASICJBXFLOO-LHRNQBEKSA-N 0 3 245.322 2.195 10 0 BEAEHN CCc1ccc(CN2CCC[C@@H]2CCCO)nc1 ZINC000338953809 384963165 /nfs/dbraw/zinc/96/31/65/384963165.db2.gz KRBRKHHDVCOGRN-OAHLLOKOSA-N 0 3 248.370 2.381 10 0 BEAEHN Cc1ccc([C@H](O)CN[C@H]2CCCSC2)o1 ZINC000128291960 385023742 /nfs/dbraw/zinc/02/37/42/385023742.db2.gz CGSPABJIUUYILS-WDEREUQCSA-N 0 3 241.356 2.107 10 0 BEAEHN NC[C@H](F)Cc1ccc(Br)s1 ZINC000156353028 385031170 /nfs/dbraw/zinc/03/11/70/385031170.db2.gz SWEDYRWCGKVYCN-RXMQYKEDSA-N 0 3 238.125 2.350 10 0 BEAEHN CO[C@@H]1CCC12CCN(Cc1ccncc1)CC2 ZINC000257174326 385033450 /nfs/dbraw/zinc/03/34/50/385033450.db2.gz FQKVWLGGLKQPFP-CQSZACIVSA-N 0 3 246.354 2.473 10 0 BEAEHN NCc1cnnn1-c1ccc(Cl)c(Cl)c1 ZINC000062219213 385092720 /nfs/dbraw/zinc/09/27/20/385092720.db2.gz QNOITTCCPVBOCC-UHFFFAOYSA-N 0 3 243.097 2.033 10 0 BEAEHN CC[C@](C)(O)CNC(C)(C)c1ncc(C)s1 ZINC000119433613 385093284 /nfs/dbraw/zinc/09/32/84/385093284.db2.gz WAPJUPNDUXWQHA-LBPRGKRZSA-N 0 3 242.388 2.437 10 0 BEAEHN CNCc1sc([C@H]2CCCO2)nc1C ZINC000062214219 385094765 /nfs/dbraw/zinc/09/47/65/385094765.db2.gz QEMXGPLUVXOJKJ-MRVPVSSYSA-N 0 3 212.318 2.022 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000052273022 385271617 /nfs/dbraw/zinc/27/16/17/385271617.db2.gz MMQFQGQMIHBUQH-IUODEOHRSA-N 0 3 241.338 2.429 10 0 BEAEHN CCc1ccc([C@H]2CCCCN2CCO)o1 ZINC000177814241 385286321 /nfs/dbraw/zinc/28/63/21/385286321.db2.gz OGSADFHINRBBGX-GFCCVEGCSA-N 0 3 223.316 2.361 10 0 BEAEHN Cc1ccc(F)cc1CN1CCC[C@@H](O)[C@@H]1C ZINC000294993607 385365070 /nfs/dbraw/zinc/36/50/70/385365070.db2.gz KXAAFMSPLSTIHN-SMDDNHRTSA-N 0 3 237.318 2.479 10 0 BEAEHN C[C@H]1C[C@](O)(c2ccsc2)CCN1C ZINC000156794371 385469277 /nfs/dbraw/zinc/46/92/77/385469277.db2.gz SQMXRNSICPZYLX-ONGXEEELSA-N 0 3 211.330 2.050 10 0 BEAEHN Cc1c(CNCC2=CCCCC2)cnn1C ZINC000295207108 385496140 /nfs/dbraw/zinc/49/61/40/385496140.db2.gz ZOKSUDGPQLUICZ-UHFFFAOYSA-N 0 3 219.332 2.319 10 0 BEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606232 385532520 /nfs/dbraw/zinc/53/25/20/385532520.db2.gz MSOAHCLTHBKMPR-GXSJLCMTSA-N 0 3 248.355 2.005 10 0 BEAEHN CN[C@H](C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000054076801 385594555 /nfs/dbraw/zinc/59/45/55/385594555.db2.gz WOBGDBJGXFWMKG-LLVKDONJSA-N 0 3 234.343 2.034 10 0 BEAEHN CCC1CCC(N(C)C(=O)[C@@H](C)NC)CC1 ZINC000054075671 385594955 /nfs/dbraw/zinc/59/49/55/385594955.db2.gz BUAROASNYIHSQY-VOMCLLRMSA-N 0 3 226.364 2.022 10 0 BEAEHN NCc1c[nH]c(-c2ccccc2Cl)n1 ZINC000062820855 385634525 /nfs/dbraw/zinc/63/45/25/385634525.db2.gz KRTDEQRRXXOSKE-UHFFFAOYSA-N 0 3 207.664 2.189 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000643201840 385672470 /nfs/dbraw/zinc/67/24/70/385672470.db2.gz GNFGMKRVZLXQMF-RISCZKNCSA-N 0 3 246.354 2.178 10 0 BEAEHN Cc1c[nH]c(CN2CCCCC2)c(C)c1=O ZINC000253559854 385681659 /nfs/dbraw/zinc/68/16/59/385681659.db2.gz ACCKXIGRZFGZJY-UHFFFAOYSA-N 0 3 220.316 2.390 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1ccccn1 ZINC000270928568 385760955 /nfs/dbraw/zinc/76/09/55/385760955.db2.gz PRMXIGTZMDONRN-OBJOEFQTSA-N 0 3 234.343 2.283 10 0 BEAEHN NCc1cccc(OCc2ccccc2)n1 ZINC000051523236 385840770 /nfs/dbraw/zinc/84/07/70/385840770.db2.gz NQGMSVSDUMTZSI-UHFFFAOYSA-N 0 3 214.268 2.119 10 0 BEAEHN CCc1ccccc1CN[C@@H](C(=O)NC)C(C)C ZINC000189337136 385982343 /nfs/dbraw/zinc/98/23/43/385982343.db2.gz RFGVWYWWDLSUCQ-CQSZACIVSA-N 0 3 248.370 2.109 10 0 BEAEHN N[C@]1(c2ccsn2)CCCSCC1 ZINC000575571319 386145129 /nfs/dbraw/zinc/14/51/29/386145129.db2.gz NAAIOAIYIHVBPQ-SECBINFHSA-N 0 3 214.359 2.214 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1ccc(C(=O)OC)o1 ZINC000224879037 386154993 /nfs/dbraw/zinc/15/49/93/386154993.db2.gz NUSOTAVPUYWBRF-MWLCHTKSSA-N 0 3 237.299 2.344 10 0 BEAEHN Cc1nocc1CNC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000339387131 386399356 /nfs/dbraw/zinc/39/93/56/386399356.db2.gz DXEPVVWLRNDIGU-PEGIJTEDSA-N 0 3 238.331 2.276 10 0 BEAEHN C[C@H]1CC[C@@H](O)CN1Cc1ccccc1F ZINC000399164003 386428146 /nfs/dbraw/zinc/42/81/46/386428146.db2.gz CQFSDOCEJYZTSL-CMPLNLGQSA-N 0 3 223.291 2.171 10 0 BEAEHN CCC[C@H]1C[C@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000165045894 386498805 /nfs/dbraw/zinc/49/88/05/386498805.db2.gz MKSSVAXMYQXDMT-WDEREUQCSA-N 0 3 220.316 2.374 10 0 BEAEHN Cc1ccc(CNCC2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000414450568 386533827 /nfs/dbraw/zinc/53/38/27/386533827.db2.gz XYZCPRKMPIARKP-RYUDHWBXSA-N 0 3 249.358 2.078 10 0 BEAEHN C[C@@H]1OCC[C@H]1N[C@H](CN(C)C)c1ccccc1 ZINC000245955778 386612379 /nfs/dbraw/zinc/61/23/79/386612379.db2.gz QNQLIGWSIBXMCF-NWANDNLSSA-N 0 3 248.370 2.056 10 0 BEAEHN C[C@H]1[C@H](O)CCCN1Cc1ccsc1 ZINC000295141423 386691141 /nfs/dbraw/zinc/69/11/41/386691141.db2.gz ZVOUVHLBJGABPK-GXSJLCMTSA-N 0 3 211.330 2.093 10 0 BEAEHN Cc1cn[nH]c1CN[C@H](C)c1cncc(F)c1 ZINC000352844369 386707434 /nfs/dbraw/zinc/70/74/34/386707434.db2.gz XWAOVGFPPILGGG-SECBINFHSA-N 0 3 234.278 2.103 10 0 BEAEHN CCN1CCC[C@@H](Nc2ncc(Cl)cn2)C1 ZINC000093537345 386836618 /nfs/dbraw/zinc/83/66/18/386836618.db2.gz VNDFHMIJBVYYSQ-SNVBAGLBSA-N 0 3 240.738 2.026 10 0 BEAEHN O[C@@H]1CC[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000398695627 386951842 /nfs/dbraw/zinc/95/18/42/386951842.db2.gz DKNKAZTUBTVRGE-KCQAQPDRSA-N 0 3 249.329 2.419 10 0 BEAEHN Cc1ncsc1[C@H](N)[C@]1(C)C[C@H]1F ZINC000575457680 387031297 /nfs/dbraw/zinc/03/12/97/387031297.db2.gz KWSSLPDNYLWHBH-BWVDBABLSA-N 0 3 200.282 2.199 10 0 BEAEHN Cc1ncsc1[C@H](N)[C@@]1(C)C[C@H]1F ZINC000575457683 387031440 /nfs/dbraw/zinc/03/14/40/387031440.db2.gz KWSSLPDNYLWHBH-YEPSODPASA-N 0 3 200.282 2.199 10 0 BEAEHN Cc1nc([C@@]2(N)CCS[C@@H]2C)cs1 ZINC000575462334 387033034 /nfs/dbraw/zinc/03/30/34/387033034.db2.gz BMCDLRQQFHXEGI-HZGVNTEJSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1ncsc1C1(N)CCSCC1 ZINC000575579041 387046465 /nfs/dbraw/zinc/04/64/65/387046465.db2.gz VUEXATGTGPGJND-UHFFFAOYSA-N 0 3 214.359 2.133 10 0 BEAEHN c1n[nH]cc1[C@H]1CCCCN1C[C@H]1CCCO1 ZINC000246372719 387080923 /nfs/dbraw/zinc/08/09/23/387080923.db2.gz MIPMHIUCNIFMTH-CHWSQXEVSA-N 0 3 235.331 2.116 10 0 BEAEHN CCN(CC)CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000068016119 387100360 /nfs/dbraw/zinc/10/03/60/387100360.db2.gz ROWBJXFFVVFNDB-NSHDSACASA-N 0 3 238.331 2.107 10 0 BEAEHN CC[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000068223717 387101129 /nfs/dbraw/zinc/10/11/29/387101129.db2.gz HIKUFAZWUUTGFU-VXGBXAGGSA-N 0 3 228.380 2.125 10 0 BEAEHN COc1ccc([C@H](N)CC(F)F)c(OC)c1 ZINC000575437702 387111017 /nfs/dbraw/zinc/11/10/17/387111017.db2.gz PEGZNSHILDAJAW-SECBINFHSA-N 0 3 231.242 2.359 10 0 BEAEHN COc1cccc([C@@H](N)CCF)c1F ZINC000575437881 387111453 /nfs/dbraw/zinc/11/14/53/387111453.db2.gz AZAXRGMWMWFEHS-QMMMGPOBSA-N 0 3 201.216 2.194 10 0 BEAEHN C[C@H]1CCCCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000335029684 387124900 /nfs/dbraw/zinc/12/49/00/387124900.db2.gz PKGHIDSDSPDIOI-JSGCOSHPSA-N 0 3 238.375 2.167 10 0 BEAEHN COc1c(F)cccc1[C@@H](N)CC(F)F ZINC000575439877 387125849 /nfs/dbraw/zinc/12/58/49/387125849.db2.gz WVMWPGRSZNAODY-QMMMGPOBSA-N 0 3 219.206 2.489 10 0 BEAEHN N[C@@H](CCF)c1cccc2c1OC(F)(F)O2 ZINC000575438427 387128883 /nfs/dbraw/zinc/12/88/83/387128883.db2.gz IVTXSZJMPPTVRU-ZETCQYMHSA-N 0 3 233.189 2.368 10 0 BEAEHN CN(C)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000023069859 387149125 /nfs/dbraw/zinc/14/91/25/387149125.db2.gz FXOGIUBNPMYFMF-JTQLQIEISA-N 0 3 232.249 2.267 10 0 BEAEHN Cn1cc(Br)c([C@H](N)C(C)(C)C)n1 ZINC000575482091 387181425 /nfs/dbraw/zinc/18/14/25/387181425.db2.gz JGIXOJODYQAWIV-QMMMGPOBSA-N 0 3 246.152 2.229 10 0 BEAEHN C1CC(N2CCSC3(CCOCC3)C2)C1 ZINC000187728043 387230833 /nfs/dbraw/zinc/23/08/33/387230833.db2.gz ZDGLNQPORDZXJX-UHFFFAOYSA-N 0 3 227.373 2.137 10 0 BEAEHN c1n[nH]cc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000035763578 387231265 /nfs/dbraw/zinc/23/12/65/387231265.db2.gz IZDJLMNGALKYJU-ZDUSSCGKSA-N 0 3 242.326 2.096 10 0 BEAEHN CCOCCN1CCN(C[C@@H](C)CC)C[C@H]1C ZINC000120452132 387247245 /nfs/dbraw/zinc/24/72/45/387247245.db2.gz FZVRRBFYSVOLGY-UONOGXRCSA-N 0 3 242.407 2.075 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1c(C)cnn1C ZINC000286033769 387309772 /nfs/dbraw/zinc/30/97/72/387309772.db2.gz QMORHTPBLQRCHZ-GHMZBOCLSA-N 0 3 207.321 2.007 10 0 BEAEHN CCC[C@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000120926930 387285421 /nfs/dbraw/zinc/28/54/21/387285421.db2.gz DHTCRGMJZZQBJE-LBPRGKRZSA-N 0 3 240.391 2.413 10 0 BEAEHN CCN(C[C@@H](O)C(F)(F)F)[C@@H](C)C(C)C ZINC000121074970 387291157 /nfs/dbraw/zinc/29/11/57/387291157.db2.gz BASIASZNAAQVAK-DTWKUNHWSA-N 0 3 227.270 2.276 10 0 BEAEHN C[C@H]1CCN([C@H]2CCCCC2=O)CCS1 ZINC000306555434 387343389 /nfs/dbraw/zinc/34/33/89/387343389.db2.gz LUHRFWCGSBLWLN-QWRGUYRKSA-N 0 3 227.373 2.326 10 0 BEAEHN C[C@@H]1CCN([C@@H]2CCCCC2=O)CCS1 ZINC000306555429 387343866 /nfs/dbraw/zinc/34/38/66/387343866.db2.gz LUHRFWCGSBLWLN-GHMZBOCLSA-N 0 3 227.373 2.326 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1c(C)n[nH]c1C ZINC000165024426 387344631 /nfs/dbraw/zinc/34/46/31/387344631.db2.gz PDEJLEZPKBFTBU-PWSUYJOCSA-N 0 3 207.321 2.305 10 0 BEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CCCF ZINC000303392611 387349502 /nfs/dbraw/zinc/34/95/02/387349502.db2.gz DBHKGKZOQHKXMZ-QWHCGFSZSA-N 0 3 228.355 2.295 10 0 BEAEHN Cc1ccc(C(=O)[C@H]2CCCCN2)cc1 ZINC000058327483 387350677 /nfs/dbraw/zinc/35/06/77/387350677.db2.gz KYMBTFOXMFFMQI-GFCCVEGCSA-N 0 3 203.285 2.320 10 0 BEAEHN C1CN[C@@]2(CCCSCC2)SC1 ZINC000575516985 387426565 /nfs/dbraw/zinc/42/65/65/387426565.db2.gz BWHVVFHRLADVFQ-VIFPVBQESA-N 0 3 203.376 2.326 10 0 BEAEHN N[C@@H](c1cncs1)[C@H]1CCCS1 ZINC000575514518 387389279 /nfs/dbraw/zinc/38/92/79/387389279.db2.gz KRPBRWAMRFAEOC-HTRCEHHLSA-N 0 3 200.332 2.039 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]C2CCSCC2)n1 ZINC000122727651 387591894 /nfs/dbraw/zinc/59/18/94/387591894.db2.gz IEPDIAHSWKHKLW-UHFFFAOYSA-N 0 3 238.356 2.081 10 0 BEAEHN c1coc([C@@H]2CCCN2CCC2OCCO2)c1 ZINC000124331011 387613808 /nfs/dbraw/zinc/61/38/08/387613808.db2.gz GIOQSBYSMHPUPI-NSHDSACASA-N 0 3 237.299 2.180 10 0 BEAEHN Cc1cc(C)n2c(CN3CCC[C@@H]3C)cnc2n1 ZINC000124342457 387613855 /nfs/dbraw/zinc/61/38/55/387613855.db2.gz NVLFXPSSOXSNDY-NSHDSACASA-N 0 3 244.342 2.330 10 0 BEAEHN C[C@H]1CN[C@]2(CC[C@@H](C)SC2)S1 ZINC000575533702 387555638 /nfs/dbraw/zinc/55/56/38/387555638.db2.gz DYYLPPORJHSOEM-HRDYMLBCSA-N 0 3 203.376 2.323 10 0 BEAEHN Cc1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)cn1 ZINC000120685288 387572031 /nfs/dbraw/zinc/57/20/31/387572031.db2.gz JYFPNDYUGPUDDV-DGCLKSJQSA-N 0 3 231.343 2.427 10 0 BEAEHN CN(C)CCOC[C@H](O)c1ccc2occc2c1 ZINC000013889971 387632825 /nfs/dbraw/zinc/63/28/25/387632825.db2.gz QLLUZYFWGJZGRL-ZDUSSCGKSA-N 0 3 249.310 2.044 10 0 BEAEHN C[C@@H]1Oc2c(ccc(F)c2Br)[C@H]1N ZINC000575547392 387640030 /nfs/dbraw/zinc/64/00/30/387640030.db2.gz ZFLLGBLNEBTUDJ-NVNXEXLPSA-N 0 3 246.079 2.369 10 0 BEAEHN C[C@@H]1Oc2c(ccc(F)c2Br)[C@@H]1N ZINC000575547393 387640732 /nfs/dbraw/zinc/64/07/32/387640732.db2.gz ZFLLGBLNEBTUDJ-RNHFCUEFSA-N 0 3 246.079 2.369 10 0 BEAEHN CC[C@@H]1CS[C@]2(CCCC[C@H]2OC)N1 ZINC000300214236 387651364 /nfs/dbraw/zinc/65/13/64/387651364.db2.gz NHZRZSIMVRSLDK-MXWKQRLJSA-N 0 3 215.362 2.387 10 0 BEAEHN CSc1ccc(C2(N)CSC2)cc1 ZINC000575553767 387657678 /nfs/dbraw/zinc/65/76/78/387657678.db2.gz HPTXKETXIQMNJW-UHFFFAOYSA-N 0 3 211.355 2.309 10 0 BEAEHN C[C@@H]1CC[C@@](N)(c2cncs2)CS1 ZINC000575571850 387745750 /nfs/dbraw/zinc/74/57/50/387745750.db2.gz PJDQOHYYRHKXJM-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C)C2)n1 ZINC000128455300 387747263 /nfs/dbraw/zinc/74/72/63/387747263.db2.gz CDDDYVIVJAZTLN-GXSJLCMTSA-N 0 3 220.316 2.374 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C)C2)n1 ZINC000128456006 387748343 /nfs/dbraw/zinc/74/83/43/387748343.db2.gz CDDDYVIVJAZTLN-KOLCDFICSA-N 0 3 220.316 2.374 10 0 BEAEHN Cc1nc([C@]2(N)CS[C@@H](C)C2)cs1 ZINC000575572898 387751397 /nfs/dbraw/zinc/75/13/97/387751397.db2.gz RWVLVOUBVLXVBZ-IMTBSYHQSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@@H]1C[C@](N)(c2ccsc2Cl)CO1 ZINC000575564584 387721088 /nfs/dbraw/zinc/72/10/88/387721088.db2.gz GKXMIKLAYPLGQU-HZGVNTEJSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@H]1C[C@](N)(c2ccsc2Cl)CO1 ZINC000575564588 387721533 /nfs/dbraw/zinc/72/15/33/387721533.db2.gz GKXMIKLAYPLGQU-IMTBSYHQSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@H]1C[C@@](N)(c2ccc(Cl)s2)CO1 ZINC000575567771 387736346 /nfs/dbraw/zinc/73/63/46/387736346.db2.gz ZTJMUGRRCYPNTP-RCOVLWMOSA-N 0 3 217.721 2.364 10 0 BEAEHN CCOc1cccc(CNc2nccn2C)c1 ZINC000050605963 387795293 /nfs/dbraw/zinc/79/52/93/387795293.db2.gz OXOUMSQVSYPLAV-UHFFFAOYSA-N 0 3 231.299 2.431 10 0 BEAEHN NCc1cnc(-c2ccc(F)cc2)s1 ZINC000040996518 387760234 /nfs/dbraw/zinc/76/02/34/387760234.db2.gz SJQBRVJFIPYJHE-UHFFFAOYSA-N 0 3 208.261 2.408 10 0 BEAEHN CCn1c(C)nnc1CN[C@@H]1CC2CCC1CC2 ZINC000432990400 387847413 /nfs/dbraw/zinc/84/74/13/387847413.db2.gz FGNSEABBJXRBCJ-WXRRBKDZSA-N 0 3 248.374 2.275 10 0 BEAEHN Cc1cc(C)c(OCCN(C)C)c(C=O)c1 ZINC000040541795 177868298 /nfs/dbraw/zinc/86/82/98/177868298.db2.gz KQONLBQAEUCNMV-UHFFFAOYSA-N 0 3 221.300 2.056 10 0 BEAEHN COCCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195323623 387917972 /nfs/dbraw/zinc/91/79/72/387917972.db2.gz WEAVTMYIXQBCJA-LLVKDONJSA-N 0 3 240.372 2.277 10 0 BEAEHN CCC[C@H](C)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195450852 387915742 /nfs/dbraw/zinc/91/57/42/387915742.db2.gz YFUVQONUIWLISS-QWHCGFSZSA-N 0 3 238.375 2.119 10 0 BEAEHN c1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)co1 ZINC000245790979 387984685 /nfs/dbraw/zinc/98/46/85/387984685.db2.gz IRDNZLXGCXUSDP-YNEHKIRRSA-N 0 3 233.311 2.327 10 0 BEAEHN CCOCCN1CCN(C[C@@H](C)CC)C[C@@H]1C ZINC000246174832 388017347 /nfs/dbraw/zinc/01/73/47/388017347.db2.gz FZVRRBFYSVOLGY-KBPBESRZSA-N 0 3 242.407 2.075 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccnc1 ZINC000083704994 388060566 /nfs/dbraw/zinc/06/05/66/388060566.db2.gz JHEBYCNPQKMHEU-DZGCQCFKSA-N 0 3 245.370 2.140 10 0 BEAEHN C[C@H](NCc1cn[nH]c1)c1cccs1 ZINC000038005770 388098021 /nfs/dbraw/zinc/09/80/21/388098021.db2.gz DISHWHJUHABMMA-QMMMGPOBSA-N 0 3 207.302 2.322 10 0 BEAEHN CN(C)CCNc1ccc(Cl)c(F)c1 ZINC000042580175 388100421 /nfs/dbraw/zinc/10/04/21/388100421.db2.gz GFJWLTXJHAIFLT-UHFFFAOYSA-N 0 3 216.687 2.453 10 0 BEAEHN CCOc1ccccc1[C@H](C)NC[C@H](C)CO ZINC000086616793 388104556 /nfs/dbraw/zinc/10/45/56/388104556.db2.gz NLMNYDRKJZCPKP-RYUDHWBXSA-N 0 3 237.343 2.364 10 0 BEAEHN CCN1CCC[C@@H](N[C@@H](C)c2nccs2)C1 ZINC000083143105 388046019 /nfs/dbraw/zinc/04/60/19/388046019.db2.gz UBMZEMYVHZNBEY-WDEREUQCSA-N 0 3 239.388 2.278 10 0 BEAEHN CC(C)n1ncnc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089091 388139989 /nfs/dbraw/zinc/13/99/89/388139989.db2.gz HMBYZYARJKEJLK-QJPTWQEYSA-N 0 3 234.347 2.137 10 0 BEAEHN COCCn1c2ccccc2nc1[C@H](N)C(C)C ZINC000040163882 388412709 /nfs/dbraw/zinc/41/27/09/388412709.db2.gz SDHOXYAMMNHNPP-CYBMUJFWSA-N 0 3 247.342 2.339 10 0 BEAEHN COc1cc(F)cc(CN[C@H]2C[C@@H]2C)c1 ZINC000312285693 388511487 /nfs/dbraw/zinc/51/14/87/388511487.db2.gz QMIQSEBLLPILPN-UFBFGSQYSA-N 0 3 209.264 2.332 10 0 BEAEHN CSC[C@@H](N)c1ccc(F)c(F)c1 ZINC000055237636 388597202 /nfs/dbraw/zinc/59/72/02/388597202.db2.gz AFWSRAAJOBFLMR-SECBINFHSA-N 0 3 203.257 2.328 10 0 BEAEHN COc1cc(C)cc(OC)c1[C@@H](N)CCF ZINC000575439310 388627183 /nfs/dbraw/zinc/62/71/83/388627183.db2.gz RGPNZQWAWLHLEK-VIFPVBQESA-N 0 3 227.279 2.372 10 0 BEAEHN C[C@@H](CN1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000248997209 388703058 /nfs/dbraw/zinc/70/30/58/388703058.db2.gz GYEPVWRKOLATKG-QWHCGFSZSA-N 0 3 246.354 2.001 10 0 BEAEHN Cc1ccc(CNC[C@@H]2CCCC[C@@H]2O)nc1 ZINC000127040526 388712002 /nfs/dbraw/zinc/71/20/02/388712002.db2.gz MPRFLWDWHBJNCS-JSGCOSHPSA-N 0 3 234.343 2.031 10 0 BEAEHN CCC[C@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000249393368 388718908 /nfs/dbraw/zinc/71/89/08/388718908.db2.gz SDJRYDGGPMWAIU-KBPBESRZSA-N 0 3 242.407 2.218 10 0 BEAEHN Cn1cc([C@@H]2CCCN2CC[C@H]2CCCO2)cn1 ZINC000249500596 388724020 /nfs/dbraw/zinc/72/40/20/388724020.db2.gz XCLIQTMICPCNFV-KGLIPLIRSA-N 0 3 249.358 2.126 10 0 BEAEHN CCN(C)c1ccc(CN[C@@H]2C[C@H]2C)cn1 ZINC000249649637 388731347 /nfs/dbraw/zinc/73/13/47/388731347.db2.gz UMKVQTLSNVCRRL-ZYHUDNBSSA-N 0 3 219.332 2.036 10 0 BEAEHN COc1cc(C)ccc1[C@H](C)NCC1CC(O)C1 ZINC000091524420 388764763 /nfs/dbraw/zinc/76/47/63/388764763.db2.gz JIAFNEXWKSKJGF-HIFPTAJRSA-N 0 3 249.354 2.425 10 0 BEAEHN C[C@@H]1C[C@@H]1c1ccc(CNCC2CC(O)C2)o1 ZINC000091538264 388766338 /nfs/dbraw/zinc/76/63/38/388766338.db2.gz QGDQIBFPCVLETN-PGHLRGPGSA-N 0 3 235.327 2.264 10 0 BEAEHN Cc1ncc([C@H](N)[C@@H]2CCCS2)s1 ZINC000575456209 388786188 /nfs/dbraw/zinc/78/61/88/388786188.db2.gz GCYKARIWIUZKIW-IONNQARKSA-N 0 3 214.359 2.347 10 0 BEAEHN C[C@@H]1CC[C@H](CC(=O)NC[C@@H]2CCCN2C)C1 ZINC000129881370 388874005 /nfs/dbraw/zinc/87/40/05/388874005.db2.gz GAJRXSYJVPQOKC-AGIUHOORSA-N 0 3 238.375 2.023 10 0 BEAEHN Cc1ncc([C@@H](N)[C@@H]2CCSC2)s1 ZINC000575491558 388929807 /nfs/dbraw/zinc/92/98/07/388929807.db2.gz XQHLUWLDVGSQSO-APPZFPTMSA-N 0 3 214.359 2.204 10 0 BEAEHN Cc1cnc(CN[C@H]2CCCC[C@H]2CO)s1 ZINC000274900470 389050184 /nfs/dbraw/zinc/05/01/84/389050184.db2.gz ICUPIVOHBGHWLC-QWRGUYRKSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1cncc([C@H](C)N[C@H]2CCO[C@H]2C)c1 ZINC000274326797 389045745 /nfs/dbraw/zinc/04/57/45/389045745.db2.gz AAIZHZBCYSWJTG-GVXVVHGQSA-N 0 3 220.316 2.218 10 0 BEAEHN FC(F)Sc1ccc(N2CCNCC2)cc1 ZINC000043461273 132353063 /nfs/dbraw/zinc/35/30/63/132353063.db2.gz BZPNPXKGLRQOIF-UHFFFAOYSA-N 0 3 244.310 2.411 10 0 BEAEHN CNCc1cccc(N2CCC(C)CC2)n1 ZINC000051399004 132360384 /nfs/dbraw/zinc/36/03/84/132360384.db2.gz KQRPPPKYCQVMRE-UHFFFAOYSA-N 0 3 219.332 2.037 10 0 BEAEHN Cc1cc2ccoc2c(N2CCNCC2)c1 ZINC000013741474 132244006 /nfs/dbraw/zinc/24/40/06/132244006.db2.gz RZCOVSSGXJLXPN-UHFFFAOYSA-N 0 3 216.284 2.151 10 0 BEAEHN c1ccc(N2CCN(c3ccncc3)CC2)cc1 ZINC000003634610 132308853 /nfs/dbraw/zinc/30/88/53/132308853.db2.gz HOUVRPYITOXIFB-UHFFFAOYSA-N 0 3 239.322 2.408 10 0 BEAEHN C[C@H](N)c1c(F)cccc1N1CCSCC1 ZINC000020257406 132330408 /nfs/dbraw/zinc/33/04/08/132330408.db2.gz QGXYQRAWCOKZBG-VIFPVBQESA-N 0 3 240.347 2.399 10 0 BEAEHN COc1ccc2ccc(N3CCNCC3)cc2c1 ZINC000027313663 132333877 /nfs/dbraw/zinc/33/38/77/132333877.db2.gz FRTFBUOBLXTGSL-UHFFFAOYSA-N 0 3 242.322 2.258 10 0 in-vivo BEAEHN c1ccc(-c2cccnc2N2CCNCC2)cc1 ZINC000034152207 132336429 /nfs/dbraw/zinc/33/64/29/132336429.db2.gz XZGUHFQNSPUVGS-UHFFFAOYSA-N 0 3 239.322 2.158 10 0 BEAEHN CC1(C)CN(c2ccc(F)c(F)c2F)CCN1 ZINC000041290163 132349915 /nfs/dbraw/zinc/34/99/15/132349915.db2.gz SVHKPNLGHZZDFG-UHFFFAOYSA-N 0 3 244.260 2.292 10 0 BEAEHN Cc1ccc(CN)c(N2CCC[C@H](C)[C@@H]2C)n1 ZINC000050562876 132359072 /nfs/dbraw/zinc/35/90/72/132359072.db2.gz SKWJAHVEORKBQL-JQWIXIFHSA-N 0 3 233.359 2.474 10 0 BEAEHN Cc1ccc(CN)c(N2CCCC[C@H]2CCO)c1 ZINC000051578627 132361304 /nfs/dbraw/zinc/36/13/04/132361304.db2.gz QASUTORVQVWIAG-AWEZNQCLSA-N 0 3 248.370 2.195 10 0 BEAEHN Cc1ccc(CN)c(N2CCOCC2(C)C)c1 ZINC000051579309 132361641 /nfs/dbraw/zinc/36/16/41/132361641.db2.gz RZXNYUYSPYSLSE-UHFFFAOYSA-N 0 3 234.343 2.069 10 0 BEAEHN CNCc1cccc(N2CC[C@H](C)C[C@H]2C)n1 ZINC000051748715 132361827 /nfs/dbraw/zinc/36/18/27/132361827.db2.gz QJCNYVSDDAKGIA-NWDGAFQWSA-N 0 3 233.359 2.426 10 0 BEAEHN C[C@@H]1C[C@H]1N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000052274763 132362220 /nfs/dbraw/zinc/36/22/20/132362220.db2.gz ZLMOCIFNQXGZRH-YUSALJHKSA-N 0 3 230.311 2.092 10 0 BEAEHN C[C@@H]1CN(c2c(F)cccc2F)[C@H](C)CN1 ZINC000071532811 132394076 /nfs/dbraw/zinc/39/40/76/132394076.db2.gz OWGDIIQFZOJFFN-RKDXNWHRSA-N 0 3 226.270 2.151 10 0 BEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H](C)C1 ZINC000336010821 134051029 /nfs/dbraw/zinc/05/10/29/134051029.db2.gz IIZCAHZTQQOVIN-STQMWFEESA-N 0 3 238.375 2.118 10 0 BEAEHN O[C@@H]([C@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000336215227 134136423 /nfs/dbraw/zinc/13/64/23/134136423.db2.gz MUULAJOEQHHKRI-WPRPVWTQSA-N 0 3 237.265 2.174 10 0 BEAEHN c1cc(CN2CCCN(C3CC3)CC2)cs1 ZINC000179733271 134320629 /nfs/dbraw/zinc/32/06/29/134320629.db2.gz KQECBQZIOYQNBR-UHFFFAOYSA-N 0 3 236.384 2.418 10 0 BEAEHN Oc1cccc(CN2CCCN(C3CC3)CC2)c1 ZINC000179732453 134320854 /nfs/dbraw/zinc/32/08/54/134320854.db2.gz OZBPHDJJDOYKJE-UHFFFAOYSA-N 0 3 246.354 2.062 10 0 BEAEHN Cc1cnn([C@@H]2CCCN(Cc3cc[nH]c3)C2)c1 ZINC000179544415 134321146 /nfs/dbraw/zinc/32/11/46/134321146.db2.gz IHYIFIPTQFNVPO-CQSZACIVSA-N 0 3 244.342 2.357 10 0 BEAEHN CCc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000225377438 134354788 /nfs/dbraw/zinc/35/47/88/134354788.db2.gz ZWFUZXSYXHXZHY-AWEZNQCLSA-N 0 3 246.354 2.007 10 0 BEAEHN C[C@H]1CCCC[C@H]1NCc1nnc(C2CC2)n1C ZINC000184586525 134363422 /nfs/dbraw/zinc/36/34/22/134363422.db2.gz FSKKGZWXTJOKMA-CMPLNLGQSA-N 0 3 248.374 2.361 10 0 BEAEHN Cc1cncc(CN2CCC[C@@H]2CCCO)c1 ZINC000227301343 134377494 /nfs/dbraw/zinc/37/74/94/134377494.db2.gz NBWKPSRZSMOQFQ-CQSZACIVSA-N 0 3 234.343 2.127 10 0 BEAEHN NC[C@H]1c2ccccc2CCN1CC(F)(F)F ZINC000227722822 134386062 /nfs/dbraw/zinc/38/60/62/134386062.db2.gz NBSOYLSMHOKMHU-NSHDSACASA-N 0 3 244.260 2.107 10 0 BEAEHN CC(C)CCOCCN(C)C[C@@H]1CCCO1 ZINC000056494954 134389986 /nfs/dbraw/zinc/38/99/86/134389986.db2.gz MRRSVPROUBSXCE-ZDUSSCGKSA-N 0 3 229.364 2.160 10 0 BEAEHN C[C@H]1CN(CCC2OCCO2)[C@H]1c1ccccc1 ZINC000248632543 135017737 /nfs/dbraw/zinc/01/77/37/135017737.db2.gz SQJBTWIHSHUQSO-SWLSCSKDSA-N 0 3 247.338 2.442 10 0 BEAEHN C[C@@H]1CC[C@H](CN2CCC[C@H]2c2cnn(C)c2)O1 ZINC000248883213 135025110 /nfs/dbraw/zinc/02/51/10/135025110.db2.gz GRUVHJDPCXUKDL-BNOWGMLFSA-N 0 3 249.358 2.125 10 0 BEAEHN Cc1c(CNC2C(C)(C)C2(C)C)cnn1C ZINC000086552189 135089472 /nfs/dbraw/zinc/08/94/72/135089472.db2.gz HLFLUOWSEGGRDP-UHFFFAOYSA-N 0 3 221.348 2.253 10 0 BEAEHN CCCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000252660554 135093738 /nfs/dbraw/zinc/09/37/38/135093738.db2.gz AGEKQSOBLQJZEL-CHWSQXEVSA-N 0 3 210.365 2.345 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1cncs1 ZINC000252714782 135101340 /nfs/dbraw/zinc/10/13/40/135101340.db2.gz SXAVDJHHKJCBGH-GARJFASQSA-N 0 3 240.372 2.345 10 0 BEAEHN C1OCC1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000087194764 135111037 /nfs/dbraw/zinc/11/10/37/135111037.db2.gz PZGKUEKQUDFGAE-QJPTWQEYSA-N 0 3 209.333 2.334 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262584979 135307387 /nfs/dbraw/zinc/30/73/87/135307387.db2.gz SCTBBQCGDMDARB-VXGBXAGGSA-N 0 3 238.375 2.153 10 0 BEAEHN CCC[C@H](N)C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000262584975 135307446 /nfs/dbraw/zinc/30/74/46/135307446.db2.gz SCTBBQCGDMDARB-RYUDHWBXSA-N 0 3 238.375 2.153 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC1CCC1 ZINC000079757480 135355968 /nfs/dbraw/zinc/35/59/68/135355968.db2.gz HNSDIVQRRWYJEB-CYBMUJFWSA-N 0 3 240.391 2.269 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2NC(C1CC1)C1CC1 ZINC000090227559 135548375 /nfs/dbraw/zinc/54/83/75/135548375.db2.gz WHVBQFHPMVYXSY-LBPRGKRZSA-N 0 3 246.358 2.200 10 0 BEAEHN Cc1ccoc1CN[C@H]1CCCC[C@H]1CO ZINC000164623230 397794984 /nfs/dbraw/zinc/79/49/84/397794984.db2.gz MZCHSZXNHIHNNQ-RYUDHWBXSA-N 0 3 223.316 2.229 10 0 BEAEHN N[C@]1(c2cscn2)CCCSCC1 ZINC000575460612 397944423 /nfs/dbraw/zinc/94/44/23/397944423.db2.gz HYHSCUUOAAKQAZ-SECBINFHSA-N 0 3 214.359 2.214 10 0 BEAEHN Cc1ncc([C@@]2(N)CCCSC2)s1 ZINC000575463838 397946912 /nfs/dbraw/zinc/94/69/12/397946912.db2.gz BHLJJSKZMPMGPP-SECBINFHSA-N 0 3 214.359 2.133 10 0 BEAEHN Cc1cnccc1-n1ccc(Br)n1 ZINC000306945773 397960533 /nfs/dbraw/zinc/96/05/33/397960533.db2.gz LJJILRQZBJCGLU-UHFFFAOYSA-N 0 3 238.088 2.338 10 0 BEAEHN C#C[C@]1(O)CCCC[C@@H]1NCc1ccccc1 ZINC000206489803 397922043 /nfs/dbraw/zinc/92/20/43/397922043.db2.gz DERKTTBDJVCMFS-GJZGRUSLSA-N 0 3 229.323 2.083 10 0 BEAEHN CCOC(=O)[C@@H]1CCCCCN1C(C)C ZINC000259719066 397994130 /nfs/dbraw/zinc/99/41/30/397994130.db2.gz MTQLUJPXUJJUPV-NSHDSACASA-N 0 3 213.321 2.203 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000037765413 398023135 /nfs/dbraw/zinc/02/31/35/398023135.db2.gz ITFRPVOKVAOERY-WCQYABFASA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@@H](NC(=O)[C@@H](C)NC)c1ccc(C)cc1 ZINC000054073810 398025365 /nfs/dbraw/zinc/02/53/65/398025365.db2.gz SCRHVSNQQYYRNA-DGCLKSJQSA-N 0 3 234.343 2.170 10 0 BEAEHN Fc1ccc2c(c1)[C@H](NCC1CC1)CN2 ZINC000211929504 398050688 /nfs/dbraw/zinc/05/06/88/398050688.db2.gz LZHAJMFUXAYGBP-GFCCVEGCSA-N 0 3 206.264 2.292 10 0 BEAEHN COC(=O)[C@@H]1CCCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595285422 397987437 /nfs/dbraw/zinc/98/74/37/397987437.db2.gz XVPXUANZOUQYOS-RNJOBUHISA-N 0 3 237.343 2.060 10 0 BEAEHN C(CN1CCO[C@H]2CCCC[C@H]21)[C@@H]1CCCO1 ZINC000188781063 398130174 /nfs/dbraw/zinc/13/01/74/398130174.db2.gz CKQZXRSNMMWANF-MJBXVCDLSA-N 0 3 239.359 2.199 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1ccnc(Cl)c1 ZINC000292111316 398132263 /nfs/dbraw/zinc/13/22/63/398132263.db2.gz GXWTYHPMJMZQCU-PSASIEDQSA-N 0 3 226.707 2.002 10 0 BEAEHN CC(C)CNCC(=O)Nc1c(F)cccc1F ZINC000035159851 167002358 /nfs/dbraw/zinc/00/23/58/167002358.db2.gz LEAGNSUNIKUNIH-UHFFFAOYSA-N 0 3 242.269 2.149 10 0 BEAEHN CC(C)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446547 167135965 /nfs/dbraw/zinc/13/59/65/167135965.db2.gz AOXNPWVVRFMJIO-GFCCVEGCSA-N 0 3 240.734 2.039 10 0 BEAEHN Cc1nc2cc(NC(=O)CNC(C)C)ccc2o1 ZINC000040832732 487606498 /nfs/dbraw/zinc/60/64/98/487606498.db2.gz WMEPHGLQQJENHC-UHFFFAOYSA-N 0 3 247.298 2.073 10 0 BEAEHN Brc1ccc([C@@H]2CNCO2)cc1 ZINC000071533576 166099064 /nfs/dbraw/zinc/09/90/64/166099064.db2.gz AFQOOQJEIISINR-VIFPVBQESA-N 0 3 228.089 2.068 10 0 BEAEHN CCCc1nccnc1N[C@H]1CCCN(CC)C1 ZINC000663414661 410200645 /nfs/dbraw/zinc/20/06/45/410200645.db2.gz HWDLYYWDDDBBSE-LBPRGKRZSA-N 0 3 248.374 2.325 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000040853887 410893196 /nfs/dbraw/zinc/89/31/96/410893196.db2.gz MSRSRTCOUDKJEE-GZMMTYOYSA-N 0 3 240.734 2.255 10 0 BEAEHN CC(C)N1CCc2nc(C(C)(C)N)sc2C1 ZINC000041059485 167026792 /nfs/dbraw/zinc/02/67/92/167026792.db2.gz JDHNOHXNGHXZIJ-UHFFFAOYSA-N 0 3 239.388 2.103 10 0 BEAEHN CC(C)NCc1cc(N2CC[C@H](C)C2)ccn1 ZINC000051448411 167116438 /nfs/dbraw/zinc/11/64/38/167116438.db2.gz JMCMWXZSVNJQCF-LBPRGKRZSA-N 0 3 233.359 2.426 10 0 BEAEHN CC(C)NCc1nc2ccc(F)cc2n1C ZINC000052124500 167121545 /nfs/dbraw/zinc/12/15/45/167121545.db2.gz WFLWLTCXZSIAAM-UHFFFAOYSA-N 0 3 221.279 2.210 10 0 BEAEHN CC(C)NCc1nc2c(cccc2F)n1C ZINC000037474960 167121873 /nfs/dbraw/zinc/12/18/73/167121873.db2.gz JJQVWTUOZOBXQV-UHFFFAOYSA-N 0 3 221.279 2.210 10 0 BEAEHN CC(C)N[C@@H](c1nccs1)[C@@H]1CCOC1 ZINC000041061536 167134635 /nfs/dbraw/zinc/13/46/35/167134635.db2.gz QPOUZYMXHRVKSY-NXEZZACHSA-N 0 3 226.345 2.219 10 0 BEAEHN CC(C)N[C@](C)(CO)c1ccc(F)cc1 ZINC000038115444 167141555 /nfs/dbraw/zinc/14/15/55/167141555.db2.gz OIGNGYIQWJDTMN-GFCCVEGCSA-N 0 3 211.280 2.031 10 0 BEAEHN CC(C)N[C@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974242 167141909 /nfs/dbraw/zinc/14/19/09/167141909.db2.gz AOEMKSUXDQNSDR-ZBEGNZNMSA-N 0 3 241.331 2.376 10 0 BEAEHN CC(C)OCCN[C@H]1CCc2c1cccc2O ZINC000160044127 167246589 /nfs/dbraw/zinc/24/65/89/167246589.db2.gz LAMLIZCCLDPSCX-ZDUSSCGKSA-N 0 3 235.327 2.394 10 0 BEAEHN CC(C)Oc1ccc(-c2cc(CN)[nH]n2)cc1 ZINC000066112839 167288646 /nfs/dbraw/zinc/28/86/46/167288646.db2.gz DRKOFTMKOFGFRO-UHFFFAOYSA-N 0 3 231.299 2.323 10 0 BEAEHN CC(C)SCc1ncc(CN)s1 ZINC000082416500 167336298 /nfs/dbraw/zinc/33/62/98/167336298.db2.gz XVRHSTGRBSVICP-UHFFFAOYSA-N 0 3 202.348 2.243 10 0 BEAEHN CCN(CC)Cc1ccc(OC)c(C=O)c1 ZINC000045206413 169791470 /nfs/dbraw/zinc/79/14/70/169791470.db2.gz UDTYTFYGFMERGB-UHFFFAOYSA-N 0 3 221.300 2.350 10 0 BEAEHN CCC1CCC(NC(=O)[C@H](N)CC(C)C)CC1 ZINC000042581855 411019692 /nfs/dbraw/zinc/01/96/92/411019692.db2.gz PTLPBGPAACYHRR-WXRRBKDZSA-N 0 3 240.391 2.445 10 0 BEAEHN Cc1cc(C)c([C@H](C)N[C@@H]2CCNC2=O)cc1C ZINC000658055676 411222243 /nfs/dbraw/zinc/22/22/43/411222243.db2.gz UALZZMRSMGGEHU-GXTWGEPZSA-N 0 3 246.354 2.151 10 0 BEAEHN CC[C@H](O)CNCc1ccc2ccccc2n1 ZINC000124544410 411230797 /nfs/dbraw/zinc/23/07/97/411230797.db2.gz OVHMCQBOHNIQOX-ZDUSSCGKSA-N 0 3 230.311 2.095 10 0 BEAEHN Cc1ccc([C@H](C)NC(=O)CN(C)C(C)C)o1 ZINC000049398659 411233054 /nfs/dbraw/zinc/23/30/54/411233054.db2.gz DNNJWNKALUAWMP-NSHDSACASA-N 0 3 238.331 2.105 10 0 BEAEHN CO[C@@H]1CC[C@H]2OCCN(CC(C)(C)C)[C@H]2C1 ZINC000092096160 411268684 /nfs/dbraw/zinc/26/86/84/411268684.db2.gz DEMOPUKHCDYRKD-FRRDWIJNSA-N 0 3 241.375 2.301 10 0 BEAEHN CC[C@@H](NC(=O)CNC1CC1)c1ccccc1 ZINC000051628619 411279914 /nfs/dbraw/zinc/27/99/14/411279914.db2.gz INRVABJKJMKKMP-CYBMUJFWSA-N 0 3 232.327 2.006 10 0 BEAEHN CCN(Cc1ccccn1)C[C@@H]1CCC[C@H](O)C1 ZINC000311056566 411309873 /nfs/dbraw/zinc/30/98/73/411309873.db2.gz YHJSSQKQJUMZFZ-HIFRSBDPSA-N 0 3 248.370 2.455 10 0 BEAEHN CC[C@](C)(O)CN1CCc2c(cccc2OC)C1 ZINC000118979776 411260954 /nfs/dbraw/zinc/26/09/54/411260954.db2.gz PUIGXVYHUKXGLJ-HNNXBMFYSA-N 0 3 249.354 2.214 10 0 BEAEHN Cc1cc([C@@H](C)NC2CC(CO)C2)cs1 ZINC000658351921 411355036 /nfs/dbraw/zinc/35/50/36/411355036.db2.gz BLJMQCMEGWRCJS-GRZMOONWSA-N 0 3 225.357 2.478 10 0 BEAEHN CC1(NC(=O)C2(N)CCCC2)CCCCC1 ZINC000045046950 168054768 /nfs/dbraw/zinc/05/47/68/168054768.db2.gz XGSUEXULXHAGKH-UHFFFAOYSA-N 0 3 224.348 2.097 10 0 BEAEHN CC1(NC(=O)[C@@H](CN)c2ccccc2)CCCC1 ZINC000061612762 168058916 /nfs/dbraw/zinc/05/89/16/168058916.db2.gz BYNYTOMNRQMJFZ-ZDUSSCGKSA-N 0 3 246.354 2.178 10 0 BEAEHN CC1=CCN(CCOc2cccc(N)c2)CC1 ZINC000075423285 168112593 /nfs/dbraw/zinc/11/25/93/168112593.db2.gz RYNNFFHJYJIXQW-UHFFFAOYSA-N 0 3 232.327 2.300 10 0 BEAEHN CC1CCC(c2nccc(CN)n2)CC1 ZINC000054791058 168170154 /nfs/dbraw/zinc/17/01/54/168170154.db2.gz VMEGBLDDVHBRSZ-UHFFFAOYSA-N 0 3 205.305 2.229 10 0 BEAEHN CCC(=O)CCN1CCC[C@H](n2cc(C)cn2)C1 ZINC000190222241 168201874 /nfs/dbraw/zinc/20/18/74/168201874.db2.gz BNFHYLBJKVTBMV-ZDUSSCGKSA-N 0 3 249.358 2.198 10 0 BEAEHN CCC(C)(C)NCc1cc(C(N)=O)ccc1F ZINC000020036078 168299058 /nfs/dbraw/zinc/29/90/58/168299058.db2.gz QMCZFIWHVXZAJX-UHFFFAOYSA-N 0 3 238.306 2.203 10 0 BEAEHN CCN1CCCOC[C@H]1c1cccc(OC)c1 ZINC000616648297 411411325 /nfs/dbraw/zinc/41/13/25/411411325.db2.gz DQAHPOKSGPWMQF-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CC[C@@H](NC1CC(CO)C1)c1ccc(F)cn1 ZINC000658357854 411501266 /nfs/dbraw/zinc/50/12/66/411501266.db2.gz XGBGCGWEBRNVBM-QEWOUOOISA-N 0 3 238.306 2.032 10 0 BEAEHN CCN1C[C@@H](C)[C@H](NCc2occc2C)C1 ZINC000336782161 170031287 /nfs/dbraw/zinc/03/12/87/170031287.db2.gz WURMNDQWIGHFNY-VXGBXAGGSA-N 0 3 222.332 2.018 10 0 BEAEHN CCN1Cc2c(cccc2Cl)[C@H]1CN ZINC000082701402 170040834 /nfs/dbraw/zinc/04/08/34/170040834.db2.gz URMCNEDDVHWQBP-LLVKDONJSA-N 0 3 210.708 2.175 10 0 BEAEHN CCNC(=O)CCNC(C)(C)c1ccccc1 ZINC000299557815 170052826 /nfs/dbraw/zinc/05/28/26/170052826.db2.gz DHKUQQSSROECDS-UHFFFAOYSA-N 0 3 234.343 2.038 10 0 BEAEHN CCNC(=O)CCN[C@H](C)c1ccccc1F ZINC000047848313 170053016 /nfs/dbraw/zinc/05/30/16/170053016.db2.gz ALTOUJYIBQSQOG-SNVBAGLBSA-N 0 3 238.306 2.003 10 0 BEAEHN CCNC(=O)CN[C@H](C)c1ccc(C)c(C)c1 ZINC000036780362 170065372 /nfs/dbraw/zinc/06/53/72/170065372.db2.gz QGDFFYDTFSWFKV-GFCCVEGCSA-N 0 3 234.343 2.090 10 0 BEAEHN CCNC(=O)CN[C@@H]1CCCCc2ccccc21 ZINC000036780409 170065550 /nfs/dbraw/zinc/06/55/50/170065550.db2.gz GZZGCMIBCNXCDX-CQSZACIVSA-N 0 3 246.354 2.180 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1cccc(C)c1 ZINC000061287900 170107349 /nfs/dbraw/zinc/10/73/49/170107349.db2.gz CVXRMCIHSRTXQH-UHFFFAOYSA-N 0 3 220.316 2.322 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1ccc(C)cc1 ZINC000061287801 170107362 /nfs/dbraw/zinc/10/73/62/170107362.db2.gz AAHIKURGLABWAD-UHFFFAOYSA-N 0 3 220.316 2.322 10 0 BEAEHN CCNC(C)(C)c1nc2cccnc2n1CC ZINC000104312286 170107918 /nfs/dbraw/zinc/10/79/18/170107918.db2.gz BHRVDBCJJPNLLL-UHFFFAOYSA-N 0 3 232.331 2.296 10 0 BEAEHN CCNCc1cc(-n2cc(Cl)cn2)ccn1 ZINC000051492680 170124568 /nfs/dbraw/zinc/12/45/68/170124568.db2.gz QRJZETFHWGTFST-UHFFFAOYSA-N 0 3 236.706 2.030 10 0 BEAEHN CCNCc1c(C)nc(C(C)C)nc1C ZINC000054854130 170124617 /nfs/dbraw/zinc/12/46/17/170124617.db2.gz RPICLJHNRXTLPX-UHFFFAOYSA-N 0 3 207.321 2.326 10 0 BEAEHN CCNCc1c(Cl)nc2scc(C)n12 ZINC000075423992 170124874 /nfs/dbraw/zinc/12/48/74/170124874.db2.gz KGHYADXFSBFYQS-UHFFFAOYSA-N 0 3 229.736 2.467 10 0 BEAEHN CCNCc1ccc(OC)cc1OCC ZINC000033433138 170127332 /nfs/dbraw/zinc/12/73/32/170127332.db2.gz JOSCCIOUDJGWTG-UHFFFAOYSA-N 0 3 209.289 2.203 10 0 BEAEHN CCNCc1ccnc(Cc2ccc(C)cc2)n1 ZINC000054791399 170128983 /nfs/dbraw/zinc/12/89/83/170128983.db2.gz GSNWPBDVEJMCTO-UHFFFAOYSA-N 0 3 241.338 2.485 10 0 BEAEHN CCNCc1cnn(Cc2cccc(C)c2)c1 ZINC000054719282 170129872 /nfs/dbraw/zinc/12/98/72/170129872.db2.gz BPFILBIELUSTHO-UHFFFAOYSA-N 0 3 229.327 2.349 10 0 BEAEHN CCNCc1cnc(Cc2ccccc2)nc1 ZINC000054855706 170130632 /nfs/dbraw/zinc/13/06/32/170130632.db2.gz QBXPYKNNSMKNCO-UHFFFAOYSA-N 0 3 227.311 2.177 10 0 BEAEHN CCNCc1cnc(N2CCCC2)c(Cl)c1 ZINC000051399096 170130838 /nfs/dbraw/zinc/13/08/38/170130838.db2.gz QPQFIWOHXNXQQE-UHFFFAOYSA-N 0 3 239.750 2.445 10 0 BEAEHN CCNCc1cnc(CSC)s1 ZINC000054496956 170130910 /nfs/dbraw/zinc/13/09/10/170130910.db2.gz UKYYGMSLYSCUBU-UHFFFAOYSA-N 0 3 202.348 2.116 10 0 BEAEHN CCNCc1nc2cccc(Cl)c2n1C ZINC000044624080 170131560 /nfs/dbraw/zinc/13/15/60/170131560.db2.gz WKUJSKQGVFLBCX-UHFFFAOYSA-N 0 3 223.707 2.336 10 0 BEAEHN CCN[C@@H](C)c1c(OC)cc(OC)cc1OC ZINC000035543895 170141192 /nfs/dbraw/zinc/14/11/92/170141192.db2.gz YBAYAHWLXBRBAD-VIFPVBQESA-N 0 3 239.315 2.383 10 0 BEAEHN CCN[C@@H](CO)c1ccc(SCC)cc1 ZINC000096890920 170145128 /nfs/dbraw/zinc/14/51/28/170145128.db2.gz ZFVQZAPXOQVESO-LBPRGKRZSA-N 0 3 225.357 2.442 10 0 BEAEHN CCN[C@@H](c1nc(C)c(C)s1)[C@H]1CCOC1 ZINC000041061110 170149833 /nfs/dbraw/zinc/14/98/33/170149833.db2.gz NWGPQXKLACXNMF-WDEREUQCSA-N 0 3 240.372 2.447 10 0 BEAEHN CCN[C@@H]1CCN([C@@H](C)c2ccccc2C)C1=O ZINC000049659964 170152901 /nfs/dbraw/zinc/15/29/01/170152901.db2.gz UZCUWDBAAICPHK-GXTWGEPZSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@@H]1CCOc2c(F)c(F)ccc21 ZINC000062611256 170153051 /nfs/dbraw/zinc/15/30/51/170153051.db2.gz BPSQAGJFFGREHS-SECBINFHSA-N 0 3 213.227 2.398 10 0 BEAEHN CCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000035652794 170153088 /nfs/dbraw/zinc/15/30/88/170153088.db2.gz LLNZWZFSUBBNCV-LLVKDONJSA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@@H]1COc2c1cccc2OCC ZINC000035654357 170154163 /nfs/dbraw/zinc/15/41/63/170154163.db2.gz WFXLRXJSOHNRCE-SNVBAGLBSA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@@H]1c2cc(OC)ccc2O[C@H]1C ZINC000049851032 170154759 /nfs/dbraw/zinc/15/47/59/170154759.db2.gz UDCJVHJGFANVAR-UFBFGSQYSA-N 0 3 207.273 2.127 10 0 BEAEHN CCN[C@H](C)C(=O)c1ccc(OCC)c(F)c1 ZINC000071549356 170157240 /nfs/dbraw/zinc/15/72/40/170157240.db2.gz PHNABNVKWKALDS-SECBINFHSA-N 0 3 239.290 2.405 10 0 BEAEHN CCN[C@H](CC)C(=O)c1cccc(OC)c1 ZINC000071523123 170160917 /nfs/dbraw/zinc/16/09/17/170160917.db2.gz NENFRSUWCQCVCW-GFCCVEGCSA-N 0 3 221.300 2.266 10 0 BEAEHN CCN[C@H](CO)c1ccc(SCC)cc1 ZINC000096890921 170162491 /nfs/dbraw/zinc/16/24/91/170162491.db2.gz ZFVQZAPXOQVESO-GFCCVEGCSA-N 0 3 225.357 2.442 10 0 BEAEHN CCN[C@H](CO)c1ccc(OCC)c(Cl)c1 ZINC000071558387 170162744 /nfs/dbraw/zinc/16/27/44/170162744.db2.gz VWCVCBNFUXSBTP-LLVKDONJSA-N 0 3 243.734 2.382 10 0 BEAEHN CCN[C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647798 170167583 /nfs/dbraw/zinc/16/75/83/170167583.db2.gz VFZKPFOQIRKRLC-ZDUSSCGKSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@H]1CCN([C@@H](C)CCCC(C)C)C1=O ZINC000049649115 170167700 /nfs/dbraw/zinc/16/77/00/170167700.db2.gz RBKACTIUXQNQFX-STQMWFEESA-N 0 3 240.391 2.412 10 0 BEAEHN CCN[C@H]1CCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000042864336 170167993 /nfs/dbraw/zinc/16/79/93/170167993.db2.gz ZZGOABCGMJXKFP-AVGNSLFASA-N 0 3 238.375 2.023 10 0 BEAEHN CCN[C@H]1CCN([C@@H](C)c2ccccc2C)C1=O ZINC000049659966 170168209 /nfs/dbraw/zinc/16/82/09/170168209.db2.gz UZCUWDBAAICPHK-JSGCOSHPSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@H]1c2cc(C)cc(OC)c2O[C@H]1C ZINC000043633321 170169412 /nfs/dbraw/zinc/16/94/12/170169412.db2.gz DDVMHIOJKIOQAZ-JOYOIKCWSA-N 0 3 221.300 2.435 10 0 BEAEHN CCN[C@H]1c2ccc(F)c(F)c2O[C@H]1C ZINC000062611529 170169591 /nfs/dbraw/zinc/16/95/91/170169591.db2.gz MOWNCBLLAQETIN-QUBYGPBYSA-N 0 3 213.227 2.396 10 0 BEAEHN CCN[C@H]1c2cc(OC)ccc2O[C@H]1C ZINC000049851034 170169680 /nfs/dbraw/zinc/16/96/80/170169680.db2.gz UDCJVHJGFANVAR-QPUJVOFHSA-N 0 3 207.273 2.127 10 0 BEAEHN CCN[C@](C)(CO)c1ccccc1Cl ZINC000038120151 170170571 /nfs/dbraw/zinc/17/05/71/170170571.db2.gz HJWZWCGVBWNIJD-LLVKDONJSA-N 0 3 213.708 2.157 10 0 BEAEHN CCNc1ccc(CN2CCCCC2)cn1 ZINC000050792651 170173852 /nfs/dbraw/zinc/17/38/52/170173852.db2.gz WPTWVSPUDVQRKU-UHFFFAOYSA-N 0 3 219.332 2.499 10 0 BEAEHN CCNc1ncccc1CN1CCCCC1 ZINC000052716867 170178220 /nfs/dbraw/zinc/17/82/20/170178220.db2.gz WERLVWPCLIXKCR-UHFFFAOYSA-N 0 3 219.332 2.499 10 0 BEAEHN CCOC(=O)CCNC/C=C/c1ccccc1 ZINC000041685214 170209092 /nfs/dbraw/zinc/20/90/92/170209092.db2.gz HCGGAARLKSQNON-RMKNXTFCSA-N 0 3 233.311 2.243 10 0 BEAEHN CCOC(=O)CCNCc1ccc(CC)cc1 ZINC000045685437 170209387 /nfs/dbraw/zinc/20/93/87/170209387.db2.gz HHHUNCOJQLBPFN-UHFFFAOYSA-N 0 3 235.327 2.292 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1ccnc2ccccc21 ZINC000104390620 170231413 /nfs/dbraw/zinc/23/14/13/170231413.db2.gz BMRDWLCQGABSJB-GFCCVEGCSA-N 0 3 244.294 2.188 10 0 BEAEHN CCOC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)N ZINC000049954622 170248114 /nfs/dbraw/zinc/24/81/14/170248114.db2.gz LKPQOJJLNFDTNM-NXEZZACHSA-N 0 3 237.299 2.037 10 0 BEAEHN CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@@H]1N ZINC000005857809 170263511 /nfs/dbraw/zinc/26/35/11/170263511.db2.gz BTKAMSWFNMGLGM-DZGCQCFKSA-N 0 3 245.322 2.165 10 0 BEAEHN CCOCCN(CC)[C@@H]1CNc2ccccc2C1 ZINC000104201809 170396568 /nfs/dbraw/zinc/39/65/68/170396568.db2.gz LYDZHDFEDIIETE-AWEZNQCLSA-N 0 3 248.370 2.382 10 0 BEAEHN CCOCCN1CCN(CCC(C)C)C[C@@H]1C ZINC000105835296 170399587 /nfs/dbraw/zinc/39/95/87/170399587.db2.gz IJLWJJHXOVNSHA-AWEZNQCLSA-N 0 3 242.407 2.075 10 0 BEAEHN Cc1c(CN[C@]2(C)CC2(C)C)cnn1C ZINC000657761654 411591599 /nfs/dbraw/zinc/59/15/99/411591599.db2.gz QKYNNFZSQJUYTF-GFCCVEGCSA-N 0 3 207.321 2.007 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)cn1 ZINC000077558690 170779522 /nfs/dbraw/zinc/77/95/22/170779522.db2.gz OZETUAZHRHYOMV-GMSGAONNSA-N 0 3 241.722 2.047 10 0 BEAEHN CC[C@@H]1CN([C@@H](CN)c2cccc(C)c2)CCO1 ZINC000036769402 171094660 /nfs/dbraw/zinc/09/46/60/171094660.db2.gz GEFIDTWOPXSSTA-CABCVRRESA-N 0 3 248.370 2.106 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCCF ZINC000303392609 171099678 /nfs/dbraw/zinc/09/96/78/171099678.db2.gz DBHKGKZOQHKXMZ-OLZOCXBDSA-N 0 3 228.355 2.295 10 0 BEAEHN CC[C@@H]1CSC(NCc2ccncc2)=N1 ZINC000035295142 171113140 /nfs/dbraw/zinc/11/31/40/171113140.db2.gz FADYLWADMXZLFH-SNVBAGLBSA-N 0 3 221.329 2.053 10 0 BEAEHN CC[C@@H]1CSC(NCc2cccnc2)=N1 ZINC000035295158 171113543 /nfs/dbraw/zinc/11/35/43/171113543.db2.gz MLFJEZOHNUOAKZ-SNVBAGLBSA-N 0 3 221.329 2.053 10 0 BEAEHN CC[C@@](C)(O)CN1Cc2ccccc2C1 ZINC000119416231 171181020 /nfs/dbraw/zinc/18/10/20/171181020.db2.gz UIAWVIFBPZQOKW-CYBMUJFWSA-N 0 3 205.301 2.163 10 0 BEAEHN CC[C@@](C)(O)CN[C@@H](COC)c1ccccc1 ZINC000233978816 171185321 /nfs/dbraw/zinc/18/53/21/171185321.db2.gz CMWYILDKMXCIRW-UONOGXRCSA-N 0 3 237.343 2.125 10 0 BEAEHN CC[C@@](NCc1ccccc1)(C(N)=O)C(C)C ZINC000037941175 171195081 /nfs/dbraw/zinc/19/50/81/171195081.db2.gz DVPMHGUMUXHGTG-AWEZNQCLSA-N 0 3 234.343 2.066 10 0 BEAEHN CC[C@H](C)CN(CC)C[C@@H](C)CS(C)(=O)=O ZINC000119598062 171277673 /nfs/dbraw/zinc/27/76/73/171277673.db2.gz MQKSAKVOPVVEBL-NWDGAFQWSA-N 0 3 249.420 2.035 10 0 BEAEHN CC[C@H](C)COc1cc2c(cc1CN)OCO2 ZINC000050424028 171290850 /nfs/dbraw/zinc/29/08/50/171290850.db2.gz DZWLOJZUMFUONP-VIFPVBQESA-N 0 3 237.299 2.299 10 0 BEAEHN CC[C@H](C)NCc1csc(CCN(C)C)n1 ZINC000082688177 171344144 /nfs/dbraw/zinc/34/41/44/171344144.db2.gz CQEVESIATOMNNJ-JTQLQIEISA-N 0 3 241.404 2.135 10 0 BEAEHN CC[C@H](C)NCc1sc(OC)nc1C ZINC000045205490 171344174 /nfs/dbraw/zinc/34/41/74/171344174.db2.gz TZMNXGZREDIGTI-ZETCQYMHSA-N 0 3 214.334 2.348 10 0 BEAEHN CC[C@H](C)N[C@H](C(N)=O)c1ccc(F)c(C)c1 ZINC000050559004 171348326 /nfs/dbraw/zinc/34/83/26/171348326.db2.gz RXPDBBHYCCUEIB-CABZTGNLSA-N 0 3 238.306 2.049 10 0 BEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1ccc(C)cc1 ZINC000038065681 171348772 /nfs/dbraw/zinc/34/87/72/171348772.db2.gz HVQVPVDLIMDLFS-FZMZJTMJSA-N 0 3 234.343 2.084 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N(CCC(C)C)C1CC1 ZINC000037807029 171369578 /nfs/dbraw/zinc/36/95/78/171369578.db2.gz NKWRUBYGDZDYDX-WCQYABFASA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCCCCCC1 ZINC000020265819 171370124 /nfs/dbraw/zinc/37/01/24/171370124.db2.gz FLCRXCMVIFGXDZ-NWDGAFQWSA-N 0 3 226.364 2.153 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(F)ccc1F ZINC000019516447 171372449 /nfs/dbraw/zinc/37/24/49/171372449.db2.gz POANCSXYQCZPNT-WRWORJQWSA-N 0 3 242.269 2.277 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366343686 171393993 /nfs/dbraw/zinc/39/39/93/171393993.db2.gz CEHFQASNCMDTQR-LOWDOPEQSA-N 0 3 238.375 2.151 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(CC)c1ccccc1 ZINC000011959749 171394368 /nfs/dbraw/zinc/39/43/68/171394368.db2.gz KVYHVEUMXYQMIY-AAEUAGOBSA-N 0 3 234.343 2.413 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nc2cccnc2[nH]1 ZINC000044264087 171397342 /nfs/dbraw/zinc/39/73/42/171397342.db2.gz SSACQHHHIHPHOY-CBAPKCEASA-N 0 3 204.277 2.004 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nncn1C1CCCC1 ZINC000054526422 171398157 /nfs/dbraw/zinc/39/81/57/171398157.db2.gz RNLJJCQYVOAUAB-ONGXEEELSA-N 0 3 222.336 2.439 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCC[C@H](O)C2)o1 ZINC000051724149 171811080 /nfs/dbraw/zinc/81/10/80/171811080.db2.gz APRVYTLTCHIPMU-MNOVXSKESA-N 0 3 223.316 2.235 10 0 BEAEHN CCc1nn(-c2ccccc2)c(CC)c1CN ZINC000092319509 172038000 /nfs/dbraw/zinc/03/80/00/172038000.db2.gz RLWSSFFFOZRAQD-UHFFFAOYSA-N 0 3 229.327 2.456 10 0 BEAEHN CCn1c(CNC)nc2cc(C)ccc21 ZINC000037438129 172144191 /nfs/dbraw/zinc/14/41/91/172144191.db2.gz NDVTYJJFVKEDMI-UHFFFAOYSA-N 0 3 203.289 2.084 10 0 BEAEHN CCn1cccc1CNC[C@@H]1CCCCO1 ZINC000085609260 172207732 /nfs/dbraw/zinc/20/77/32/172207732.db2.gz FGAYPSWLSFLPJZ-ZDUSSCGKSA-N 0 3 222.332 2.167 10 0 BEAEHN CCn1cccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000085608582 172208774 /nfs/dbraw/zinc/20/87/74/172208774.db2.gz SNQABDQTSKTGMB-WCQYABFASA-N 0 3 222.332 2.165 10 0 BEAEHN CN(C(=O)OCc1ccccc1)[C@H]1CCCCN1 ZINC000054965263 172325450 /nfs/dbraw/zinc/32/54/50/172325450.db2.gz QJBVAVPQTNRWIH-ZDUSSCGKSA-N 0 3 248.326 2.355 10 0 BEAEHN CN(C(=O)c1cccc(CN)c1)c1ccccc1 ZINC000021965680 172341395 /nfs/dbraw/zinc/34/13/95/172341395.db2.gz RHFHGYOBJBEJLP-UHFFFAOYSA-N 0 3 240.306 2.422 10 0 BEAEHN CN(Cc1ccccc1)[C@@H](CN)c1ccccn1 ZINC000019274351 172871102 /nfs/dbraw/zinc/87/11/02/172871102.db2.gz ZXYFMKDZLBSZMS-HNNXBMFYSA-N 0 3 241.338 2.213 10 0 BEAEHN CN1CCCC[C@@H]1CNc1ccnc(Cl)n1 ZINC000051850212 173004326 /nfs/dbraw/zinc/00/43/26/173004326.db2.gz NPYJVSUXZWEMBS-SECBINFHSA-N 0 3 240.738 2.026 10 0 BEAEHN CN1CCCC[C@H]1COc1ccc(F)cc1N ZINC000020352134 173009832 /nfs/dbraw/zinc/00/98/32/173009832.db2.gz AOJDLKUSJHKFCX-NSHDSACASA-N 0 3 238.306 2.271 10 0 BEAEHN CN(c1ccccc1C=O)[C@H]1CCCN(C)C1 ZINC000053245713 173043806 /nfs/dbraw/zinc/04/38/06/173043806.db2.gz MPXFQAFOJWJIDN-ZDUSSCGKSA-N 0 3 232.327 2.030 10 0 BEAEHN CN1CCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC000106911548 173053504 /nfs/dbraw/zinc/05/35/04/173053504.db2.gz YJKDOQIVCGBTEH-ZDUSSCGKSA-N 0 3 236.359 2.087 10 0 BEAEHN CN1CCC[C@H]1CNc1ncnc2sccc21 ZINC000049099967 173055479 /nfs/dbraw/zinc/05/54/79/173055479.db2.gz YPCLZSCQQKLPJK-VIFPVBQESA-N 0 3 248.355 2.197 10 0 BEAEHN CN1CCC[C@H]1CNc1cnc2ccccc2n1 ZINC000049100022 173057041 /nfs/dbraw/zinc/05/70/41/173057041.db2.gz YYTZEACYHPMHAK-NSHDSACASA-N 0 3 242.326 2.136 10 0 BEAEHN CN1CC[C@@H](Nc2cc(F)ccc2F)C1 ZINC000061984564 173125399 /nfs/dbraw/zinc/12/53/99/173125399.db2.gz ZHISCPLMJVOUFC-SECBINFHSA-N 0 3 212.243 2.081 10 0 BEAEHN CN1CC[C@H](Nc2ccc(N)cc2Cl)C1 ZINC000042545183 173154578 /nfs/dbraw/zinc/15/45/78/173154578.db2.gz RGKOJWKJJNZBKB-VIFPVBQESA-N 0 3 225.723 2.038 10 0 BEAEHN CN1CC[C@H](Nc2ncccc2C(F)(F)F)C1 ZINC000042548229 173155621 /nfs/dbraw/zinc/15/56/21/173155621.db2.gz UKPHLJFMPICURU-QMMMGPOBSA-N 0 3 245.248 2.216 10 0 BEAEHN CN1CC[C@](O)(c2ccc(C(F)(F)F)cc2)C1 ZINC000061987376 173165997 /nfs/dbraw/zinc/16/59/97/173165997.db2.gz ILXXCJKLHOZPDA-LLVKDONJSA-N 0 3 245.244 2.229 10 0 BEAEHN CN1Cc2c(cc(Cl)cc2Cl)[C@H]1CN ZINC000082702854 173200338 /nfs/dbraw/zinc/20/03/38/173200338.db2.gz PSHCKSGTMGYJOU-SNVBAGLBSA-N 0 3 231.126 2.439 10 0 BEAEHN CN1c2ccccc2[C@@]2(C)CCN[C@@]12C ZINC000032197403 173208710 /nfs/dbraw/zinc/20/87/10/173208710.db2.gz CGGSLHUYWLWRBD-OLZOCXBDSA-N 0 3 202.301 2.104 10 0 BEAEHN CN1c2ccccc2[C@]2(C)CCN[C@@]12C ZINC000032197407 173208968 /nfs/dbraw/zinc/20/89/68/173208968.db2.gz CGGSLHUYWLWRBD-STQMWFEESA-N 0 3 202.301 2.104 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1C ZINC000042560563 173295376 /nfs/dbraw/zinc/29/53/76/173295376.db2.gz BVZLURXTJFSSKV-NWDGAFQWSA-N 0 3 234.343 2.089 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@H](C)c1cc(C)c(C)cc1C ZINC000042560954 173295708 /nfs/dbraw/zinc/29/57/08/173295708.db2.gz NMKBFKTZOVMYMT-CHWSQXEVSA-N 0 3 248.370 2.397 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(F)c(C)c1 ZINC000061319386 173318385 /nfs/dbraw/zinc/31/83/85/173318385.db2.gz LYAHEAGQRBQBAC-UHFFFAOYSA-N 0 3 224.279 2.071 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cccc(Cl)c1 ZINC000061300190 173319798 /nfs/dbraw/zinc/31/97/98/173319798.db2.gz HZTXPYDLZCRUJY-UHFFFAOYSA-N 0 3 226.707 2.277 10 0 BEAEHN CNC(C)(C)c1nc2cc(C)ccc2n1C ZINC000061149793 173321057 /nfs/dbraw/zinc/32/10/57/173321057.db2.gz XXZQTEJFDLIFOE-UHFFFAOYSA-N 0 3 217.316 2.336 10 0 BEAEHN CNC(C)(C)c1nc2c(cccc2F)n1C ZINC000061149839 173321234 /nfs/dbraw/zinc/32/12/34/173321234.db2.gz MYFDINQMWOLGCW-UHFFFAOYSA-N 0 3 221.279 2.167 10 0 BEAEHN CNC[C@@H](O)c1cc2cccc(Cl)c2o1 ZINC000083048811 173365570 /nfs/dbraw/zinc/36/55/70/173365570.db2.gz AHWKCRFMJCXXSR-SECBINFHSA-N 0 3 225.675 2.339 10 0 BEAEHN CNC[C@H](O)c1cc2cccc(Cl)c2o1 ZINC000083048810 173377480 /nfs/dbraw/zinc/37/74/80/173377480.db2.gz AHWKCRFMJCXXSR-VIFPVBQESA-N 0 3 225.675 2.339 10 0 BEAEHN CNCc1c(C)nc(-c2ccco2)nc1C ZINC000054854008 173383669 /nfs/dbraw/zinc/38/36/69/173383669.db2.gz MLBXZPFYPMCGHC-UHFFFAOYSA-N 0 3 217.272 2.073 10 0 BEAEHN CNCc1c(C)nc(C(C)(C)C)nc1C ZINC000054854047 173383911 /nfs/dbraw/zinc/38/39/11/173383911.db2.gz OOUVANBZUBYFAT-UHFFFAOYSA-N 0 3 207.321 2.110 10 0 BEAEHN CNCc1c(Cl)cccc1-n1cccn1 ZINC000034825194 173385281 /nfs/dbraw/zinc/38/52/81/173385281.db2.gz DRDOUCZFZGOECW-UHFFFAOYSA-N 0 3 221.691 2.245 10 0 BEAEHN CNCc1cc(C)nc(CCc2ccccc2)n1 ZINC000054831037 173385752 /nfs/dbraw/zinc/38/57/52/173385752.db2.gz LJGXYQCGWCQANE-UHFFFAOYSA-N 0 3 241.338 2.290 10 0 BEAEHN CNCc1cc(C)nc(-c2ccccc2OC)n1 ZINC000054830850 173386249 /nfs/dbraw/zinc/38/62/49/173386249.db2.gz OJBNTQMNLVZRBL-UHFFFAOYSA-N 0 3 243.310 2.180 10 0 BEAEHN CNCc1cc(CN2CCC[C@@H](C)CC2)on1 ZINC000104356439 173386482 /nfs/dbraw/zinc/38/64/82/173386482.db2.gz JVMPHPMPAPAHHD-LLVKDONJSA-N 0 3 237.347 2.016 10 0 BEAEHN CNCc1cc2ccccc2nc1N(C)C ZINC000034824274 173388240 /nfs/dbraw/zinc/38/82/40/173388240.db2.gz YESJIBHERJIHFQ-UHFFFAOYSA-N 0 3 215.300 2.020 10 0 BEAEHN CNCc1ccc(O[C@H](C)c2ccccc2)nn1 ZINC000051526124 173388629 /nfs/dbraw/zinc/38/86/29/173388629.db2.gz IHLCVNRTJNMYMC-LLVKDONJSA-N 0 3 243.310 2.336 10 0 BEAEHN CNCc1cccc(NC(=O)C2[C@@H]3CCC[C@H]23)c1 ZINC000131219896 173389573 /nfs/dbraw/zinc/38/95/73/173389573.db2.gz ZPQHURIYJRZYEG-PBWFPOADSA-N 0 3 244.338 2.391 10 0 BEAEHN CNCc1ccccc1NC(=O)c1ccccn1 ZINC000036280759 173390062 /nfs/dbraw/zinc/39/00/62/173390062.db2.gz VBXBDIXAOSXLNW-UHFFFAOYSA-N 0 3 241.294 2.053 10 0 BEAEHN CNCc1ccccc1[C@H](O)c1ccccc1 ZINC000082293932 173390408 /nfs/dbraw/zinc/39/04/08/173390408.db2.gz OOJAOGKXAKBVSY-OAHLLOKOSA-N 0 3 227.307 2.488 10 0 BEAEHN CNCc1ccoc1CN(C)Cc1ccccn1 ZINC000052478784 173390993 /nfs/dbraw/zinc/39/09/93/173390993.db2.gz IDYWFNXFRBJLEC-UHFFFAOYSA-N 0 3 245.326 2.026 10 0 BEAEHN CNCc1cccnc1N1Cc2ccccc2C1 ZINC000051398536 173391276 /nfs/dbraw/zinc/39/12/76/173391276.db2.gz PNQIKUQNGYZOSK-UHFFFAOYSA-N 0 3 239.322 2.321 10 0 BEAEHN CNCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000076792175 173391336 /nfs/dbraw/zinc/39/13/36/173391336.db2.gz ZOWJPCRQOLTWBX-UHFFFAOYSA-N 0 3 230.098 2.361 10 0 BEAEHN CNCc1cn(C2CCCCC2)nc1C ZINC000040538505 173391537 /nfs/dbraw/zinc/39/15/37/173391537.db2.gz IZGSXKOYOHYFFG-UHFFFAOYSA-N 0 3 207.321 2.416 10 0 BEAEHN CNCc1ccnc(-c2cccc(F)c2)n1 ZINC000054791196 173391599 /nfs/dbraw/zinc/39/15/99/173391599.db2.gz UBEWQJWHGPFNPD-UHFFFAOYSA-N 0 3 217.247 2.002 10 0 BEAEHN CNCc1cccnc1N(C)Cc1ccco1 ZINC000051443500 173391779 /nfs/dbraw/zinc/39/17/79/173391779.db2.gz OXWAKOHIHXTKOV-UHFFFAOYSA-N 0 3 231.299 2.030 10 0 BEAEHN CNCc1cnc(-c2ccc(O)cc2)s1 ZINC000040996942 173391999 /nfs/dbraw/zinc/39/19/99/173391999.db2.gz IPARQRNLJALSED-UHFFFAOYSA-N 0 3 220.297 2.235 10 0 BEAEHN CNCc1cnc([C@H]2CCC[C@H](C)C2)nc1 ZINC000054855483 173392065 /nfs/dbraw/zinc/39/20/65/173392065.db2.gz DVQHRLRSCWARSX-JQWIXIFHSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cnc(N2CCCC[C@@H]2C)s1 ZINC000054900195 173392109 /nfs/dbraw/zinc/39/21/09/173392109.db2.gz BCUPZJBFWDUGNQ-VIFPVBQESA-N 0 3 225.361 2.241 10 0 BEAEHN CNCc1coc(Cn2nc(C)c(C)c2C)c1 ZINC000052591493 173392883 /nfs/dbraw/zinc/39/28/83/173392883.db2.gz NFYVCPFCOZTUDL-UHFFFAOYSA-N 0 3 233.315 2.169 10 0 BEAEHN CNCc1nc(CN2CCCC[C@H]2C)cs1 ZINC000052378457 173394619 /nfs/dbraw/zinc/39/46/19/173394619.db2.gz ZHEOCNFGPSVBAI-SNVBAGLBSA-N 0 3 239.388 2.237 10 0 BEAEHN CNCc1nc(-c2ccc(C)s2)c[nH]1 ZINC000036877204 173395852 /nfs/dbraw/zinc/39/58/52/173395852.db2.gz HGVQXPJCFHFOOE-UHFFFAOYSA-N 0 3 207.302 2.166 10 0 BEAEHN CNCc1nc2cc(Br)ccc2[nH]1 ZINC000037441207 173396760 /nfs/dbraw/zinc/39/67/60/173396760.db2.gz CNEREZIMUFMGIG-UHFFFAOYSA-N 0 3 240.104 2.045 10 0 BEAEHN CNCc1nc2ccc(Br)cc2[nH]1 ZINC000037441207 173396761 /nfs/dbraw/zinc/39/67/61/173396761.db2.gz CNEREZIMUFMGIG-UHFFFAOYSA-N 0 3 240.104 2.045 10 0 BEAEHN CNCc1nc2ccccc2n1Cc1ccco1 ZINC000053994575 173396805 /nfs/dbraw/zinc/39/68/05/173396805.db2.gz CQKGKRYFDWCGTM-UHFFFAOYSA-N 0 3 241.294 2.397 10 0 BEAEHN CNCc1nc2ccccc2n1CC(F)(F)F ZINC000052125622 173396884 /nfs/dbraw/zinc/39/68/84/173396884.db2.gz RVTBOYQALUVFPT-UHFFFAOYSA-N 0 3 243.232 2.318 10 0 BEAEHN CNCc1nc(-c2ccc(F)c(F)c2)c[nH]1 ZINC000036877236 173397991 /nfs/dbraw/zinc/39/79/91/173397991.db2.gz JBQVQIXVCQJAPL-UHFFFAOYSA-N 0 3 223.226 2.074 10 0 BEAEHN CN[C@H](c1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000035507934 173456819 /nfs/dbraw/zinc/45/68/19/173456819.db2.gz LBKKAQUXMFLYOB-CHWSQXEVSA-N 0 3 239.290 2.274 10 0 BEAEHN CN[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000035463856 173457083 /nfs/dbraw/zinc/45/70/83/173457083.db2.gz CKCVGVMIJJZNRQ-NWDGAFQWSA-N 0 3 209.264 2.265 10 0 BEAEHN CN[C@H]1c2cc(OC)ccc2S[C@H]1C ZINC000043635781 173469099 /nfs/dbraw/zinc/46/90/99/173469099.db2.gz ZSUSJAPGVVAWIF-WRWORJQWSA-N 0 3 209.314 2.450 10 0 BEAEHN COCCN([C@@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000042518142 174285025 /nfs/dbraw/zinc/28/50/25/174285025.db2.gz FVKNOARXDDTBTB-SWLSCSKDSA-N 0 3 248.370 2.186 10 0 BEAEHN COCCNC[C@H](O)c1ccc(C(C)C)cc1 ZINC000033466129 174334658 /nfs/dbraw/zinc/33/46/58/174334658.db2.gz LEMHGQNJGAZJAW-AWEZNQCLSA-N 0 3 237.343 2.079 10 0 BEAEHN COCCN[C@H]1CSCc2ccccc21 ZINC000037186450 174340438 /nfs/dbraw/zinc/34/04/38/174340438.db2.gz IUKUHNPLAGOYAQ-LBPRGKRZSA-N 0 3 223.341 2.211 10 0 BEAEHN COCCOc1ccc(Cl)cc1[C@H](C)N ZINC000041251978 174368263 /nfs/dbraw/zinc/36/82/63/174368263.db2.gz CYKFLPCGPGHGIG-QMMMGPOBSA-N 0 3 229.707 2.385 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)CN(C)CC1CC1 ZINC000037925407 175080207 /nfs/dbraw/zinc/08/02/07/175080207.db2.gz NBWKNPPXTGJFMB-AWEZNQCLSA-N 0 3 248.370 2.345 10 0 BEAEHN COc1ccc(C)cc1[C@H]1CN[C@H](C)CO1 ZINC000036673451 175082034 /nfs/dbraw/zinc/08/20/34/175082034.db2.gz ZPBUEGBBIKKHAP-ZWNOBZJWSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(C)cc1[C@H]1CNC[C@H](C)O1 ZINC000036986395 175082233 /nfs/dbraw/zinc/08/22/33/175082233.db2.gz NMYBQXPYFLOTIC-GXFFZTMASA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(N[C@@H]2CCN(C3CC3)C2)cc1O ZINC000061982660 175154109 /nfs/dbraw/zinc/15/41/09/175154109.db2.gz UYPSJUZMGDMVNA-LLVKDONJSA-N 0 3 248.326 2.049 10 0 BEAEHN COc1ccc([C@@H](O)CN2CCCCC2)cc1 ZINC000019784935 175180766 /nfs/dbraw/zinc/18/07/66/175180766.db2.gz KBZUXDBZJCBPMG-AWEZNQCLSA-N 0 3 235.327 2.215 10 0 BEAEHN COc1ccc([C@@H]2CNC(C)(C)O2)cc1 ZINC000071510317 175183472 /nfs/dbraw/zinc/18/34/72/175183472.db2.gz GHGZFIJMNQNPKH-NSHDSACASA-N 0 3 207.273 2.092 10 0 BEAEHN COc1ccc([C@H](C)N[C@@H]2C[C@@H]2C)cc1O ZINC000289822273 175189891 /nfs/dbraw/zinc/18/98/91/175189891.db2.gz PXHSNUVYICEARC-ATZCPNFKSA-N 0 3 221.300 2.460 10 0 BEAEHN COc1ccc([C@H](N)[C@@H]2CCCO2)cc1C ZINC000037289155 175192356 /nfs/dbraw/zinc/19/23/56/175192356.db2.gz HZUTVCDSGIBBLV-STQMWFEESA-N 0 3 221.300 2.182 10 0 BEAEHN COc1ccc2c(N)c3c(nc2c1)CCC[C@@H]3O ZINC000014946463 175204674 /nfs/dbraw/zinc/20/46/74/175204674.db2.gz OALAJFHZGANODE-LBPRGKRZSA-N 0 3 244.294 2.195 10 0 BEAEHN COc1ccc2c(c1)[C@H](N[C@H]1CCO[C@H]1C)CC2 ZINC000134245509 175216929 /nfs/dbraw/zinc/21/69/29/175216929.db2.gz PNIDSFKZXZKTEI-NZVBXONLSA-N 0 3 247.338 2.450 10 0 BEAEHN COc1ccc2c(c1)nc(N)n2CC(F)(F)F ZINC000075947549 175220130 /nfs/dbraw/zinc/22/01/30/175220130.db2.gz QOPFHVJNMGENIN-UHFFFAOYSA-N 0 3 245.204 2.189 10 0 BEAEHN COc1cccc(-c2nc([C@@H](C)N)c[nH]2)c1OC ZINC000082517117 175236891 /nfs/dbraw/zinc/23/68/91/175236891.db2.gz LJIIEIJFZKRJFI-MRVPVSSYSA-N 0 3 247.298 2.114 10 0 BEAEHN COc1cccc(C[C@H](N)c2cncc(F)c2)c1 ZINC000049576505 175272645 /nfs/dbraw/zinc/27/26/45/175272645.db2.gz OOUXLRVTNZXLQQ-AWEZNQCLSA-N 0 3 246.285 2.472 10 0 BEAEHN COc1cccc([C@@H](N)CN2CCC(C)CC2)c1 ZINC000019821402 175288964 /nfs/dbraw/zinc/28/89/64/175288964.db2.gz VLFULOARYAECEF-HNNXBMFYSA-N 0 3 248.370 2.427 10 0 BEAEHN COc1cccc([C@@H]2CNCC(C)(C)O2)c1 ZINC000011803123 175290800 /nfs/dbraw/zinc/29/08/00/175290800.db2.gz XFCQTGUPFITXHG-LBPRGKRZSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccccc1CN(C)[C@@H]1CCC[C@@H]1O ZINC000042229856 175325912 /nfs/dbraw/zinc/32/59/12/175325912.db2.gz YRZGTTZBANNEMK-OLZOCXBDSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1C[C@H](C)NCc1cn[nH]c1 ZINC000038006316 175333889 /nfs/dbraw/zinc/33/38/89/175333889.db2.gz YSPBVGKCWVBARJ-NSHDSACASA-N 0 3 245.326 2.139 10 0 BEAEHN COc1ccccc1NCCN1CCCC1 ZINC000041234298 175337619 /nfs/dbraw/zinc/33/76/19/175337619.db2.gz KMGZMSYUPIGSTO-UHFFFAOYSA-N 0 3 220.316 2.203 10 0 BEAEHN COc1ccccc1Oc1ncccc1C(=N)N ZINC000019507349 175342585 /nfs/dbraw/zinc/34/25/85/175342585.db2.gz XJFDQRFWUUEXMK-UHFFFAOYSA-N 0 3 243.266 2.167 10 0 BEAEHN COc1ccccc1Oc1cccc(CN)n1 ZINC000051549692 175342903 /nfs/dbraw/zinc/34/29/03/175342903.db2.gz ICXAYHZPUIRMSB-UHFFFAOYSA-N 0 3 230.267 2.341 10 0 BEAEHN COc1ccccc1[C@@H](N)Cc1ccccn1 ZINC000020429147 175347203 /nfs/dbraw/zinc/34/72/03/175347203.db2.gz DWRKSLGDUDSAIF-ZDUSSCGKSA-N 0 3 228.295 2.333 10 0 BEAEHN COc1ccccc1[C@@H](N)CN1CCC[C@@H](C)C1 ZINC000023069936 175347916 /nfs/dbraw/zinc/34/79/16/175347916.db2.gz UTBJSFFCQBRZOO-OCCSQVGLSA-N 0 3 248.370 2.427 10 0 BEAEHN COc1ccccc1[C@@H]1CNCCS1 ZINC000041218897 175348986 /nfs/dbraw/zinc/34/89/86/175348986.db2.gz CITYJMJUDUIQRJ-NSHDSACASA-N 0 3 209.314 2.073 10 0 BEAEHN COc1ccccc1[C@H](CN)N(C)C[C@@H]1C[C@H]1C ZINC000111765795 175353545 /nfs/dbraw/zinc/35/35/45/175353545.db2.gz LMCYWDHXBDCWLA-DYEKYZERSA-N 0 3 248.370 2.283 10 0 BEAEHN COc1ccccc1[C@](C)(N)c1cccnc1 ZINC000037761490 175355947 /nfs/dbraw/zinc/35/59/47/175355947.db2.gz DUMCCFOZTZVFKN-CQSZACIVSA-N 0 3 228.295 2.312 10 0 BEAEHN C[C@@H]1CCCCN1Cc1ccoc1CN ZINC000052378757 176074464 /nfs/dbraw/zinc/07/44/64/176074464.db2.gz CDZVPMKDVFVWQB-SNVBAGLBSA-N 0 3 208.305 2.113 10 0 BEAEHN C[C@@H]1CCCC[C@H]1N(C)Cc1cc(CN)no1 ZINC000052546783 176086460 /nfs/dbraw/zinc/08/64/60/176086460.db2.gz PAPRFCMAHHTBNA-ZWNOBZJWSA-N 0 3 237.347 2.144 10 0 BEAEHN C[C@@H]1CCCC[C@H]1Oc1cc(CN)ccn1 ZINC000019398768 176090424 /nfs/dbraw/zinc/09/04/24/176090424.db2.gz JVKIQMWYPRUHMY-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCC[C@H]1Oc1ccc(CN)cn1 ZINC000019280541 176090437 /nfs/dbraw/zinc/09/04/37/176090437.db2.gz BUNFRNZKPAUJIK-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)NCCC2CCCC2)N1 ZINC000037741558 176112962 /nfs/dbraw/zinc/11/29/62/176112962.db2.gz MHUPBVDKBLZGHY-YPMHNXCESA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2)N1 ZINC000019518963 176113421 /nfs/dbraw/zinc/11/34/21/176113421.db2.gz KCCYVMHRXKHSFG-PWSUYJOCSA-N 0 3 218.300 2.156 10 0 BEAEHN C[C@@H]1CCC[C@@H](N(C)C(=O)C2(N)CCCC2)C1 ZINC000042495044 176119520 /nfs/dbraw/zinc/11/95/20/176119520.db2.gz WAPOXYDTKFLJEZ-VXGBXAGGSA-N 0 3 238.375 2.295 10 0 BEAEHN C[C@@H]1CCC[C@@](CO)(Nc2ccncc2)C1 ZINC000053110367 176133649 /nfs/dbraw/zinc/13/36/49/176133649.db2.gz SYVICCFXOABPEZ-DGCLKSJQSA-N 0 3 220.316 2.435 10 0 BEAEHN C[C@@H]1CC[C@@H](O)[C@H](CN(C)Cc2cccnc2)C1 ZINC000053883667 176215417 /nfs/dbraw/zinc/21/54/17/176215417.db2.gz DJJZUPHUSLLLNI-VHDGCEQUSA-N 0 3 248.370 2.311 10 0 BEAEHN C[C@@H]1CN(Cc2cccc3c2NCC3)CCCO1 ZINC000130547278 176306471 /nfs/dbraw/zinc/30/64/71/176306471.db2.gz KGWGZYCBJFAYIY-GFCCVEGCSA-N 0 3 246.354 2.265 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccco1 ZINC000251663850 176322400 /nfs/dbraw/zinc/32/24/00/176322400.db2.gz HAINTICPDIWHCU-OLZOCXBDSA-N 0 3 234.343 2.338 10 0 BEAEHN C[C@@H]1CNC[C@H](c2ccccc2Cl)O1 ZINC000032012618 176330145 /nfs/dbraw/zinc/33/01/45/176330145.db2.gz BONOEYOQDIOQSC-LDYMZIIASA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1COC[C@@H](CCc2cccc(F)c2)N1 ZINC000071525004 176346749 /nfs/dbraw/zinc/34/67/49/176346749.db2.gz YJCLAYFHACVXAX-ZWNOBZJWSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@H]1CSC(NCc2ccccc2)=N1 ZINC000035294406 176348765 /nfs/dbraw/zinc/34/87/65/176348765.db2.gz BXPGWSKMTAYXJF-SECBINFHSA-N 0 3 206.314 2.268 10 0 BEAEHN C[C@@H]1CSC(NCc2ccccc2F)=N1 ZINC000035294992 176348933 /nfs/dbraw/zinc/34/89/33/176348933.db2.gz UAFOYZHNMDUUEI-MRVPVSSYSA-N 0 3 224.304 2.407 10 0 BEAEHN C[C@@H]1CSC(NCc2cccc(F)c2)=N1 ZINC000035295217 176349372 /nfs/dbraw/zinc/34/93/72/176349372.db2.gz AAUJSRVZAPLNHV-MRVPVSSYSA-N 0 3 224.304 2.407 10 0 BEAEHN C[C@@]1(c2cccs2)C[C@@H]1CNC1COC1 ZINC000367908449 176548389 /nfs/dbraw/zinc/54/83/89/176548389.db2.gz BMPLEGDRBBYSHL-BXKDBHETSA-N 0 3 223.341 2.014 10 0 BEAEHN C[C@H](O)c1cccc(OCCN2CCCC2)c1 ZINC000035627711 177017413 /nfs/dbraw/zinc/01/74/13/177017413.db2.gz MZUACQGKGYRHGR-LBPRGKRZSA-N 0 3 235.327 2.215 10 0 BEAEHN C[C@H](O)c1ccccc1N(C)C1CCN(C)CC1 ZINC000035650470 177018048 /nfs/dbraw/zinc/01/80/48/177018048.db2.gz DHYPRQBGPWTTEU-LBPRGKRZSA-N 0 3 248.370 2.270 10 0 BEAEHN C[C@H]([C@@H](N)c1ccccc1)n1cccn1 ZINC000023069470 177030547 /nfs/dbraw/zinc/03/05/47/177030547.db2.gz QXCGMKHNKONLCC-ZYHUDNBSSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@H](c1cccc(N)c1)N1CCSCC1 ZINC000040908097 177036419 /nfs/dbraw/zinc/03/64/19/177036419.db2.gz MDLLDXVAINOCJW-SNVBAGLBSA-N 0 3 222.357 2.379 10 0 BEAEHN C[C@H](c1cccc(N)c1)N1CCN(C)C(C)(C)C1 ZINC000104136977 177036464 /nfs/dbraw/zinc/03/64/64/177036464.db2.gz IPDIIXLJKJMVNY-GFCCVEGCSA-N 0 3 247.386 2.356 10 0 BEAEHN C[C@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044116174 177079198 /nfs/dbraw/zinc/07/91/98/177079198.db2.gz ZIAJAHNHZIKPEM-LNSITVRQSA-N 0 3 247.338 2.355 10 0 BEAEHN C[C@H]1CCCC[C@@H]1Oc1ccc(CN)cn1 ZINC000019280538 177084470 /nfs/dbraw/zinc/08/44/70/177084470.db2.gz BUNFRNZKPAUJIK-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCCC[C@@H]1Oc1cccc(CN)n1 ZINC000051524761 177084600 /nfs/dbraw/zinc/08/46/00/177084600.db2.gz CPQYWYKPDVWPQP-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1[C@@H](C)CCCN1Cc1csc(CN)n1 ZINC000052373377 177101521 /nfs/dbraw/zinc/10/15/21/177101521.db2.gz AEEQRUVKWMIWGF-VHSXEESVSA-N 0 3 239.388 2.222 10 0 BEAEHN C[C@H]1CCCN1Cc1cc(N)cc2c1OCOC2 ZINC000037909706 177111135 /nfs/dbraw/zinc/11/11/35/177111135.db2.gz HXEIDRDIVDXGDJ-JTQLQIEISA-N 0 3 248.326 2.120 10 0 BEAEHN C[C@H]1CCCN1c1cc(CNC2CC2)ccn1 ZINC000051398805 177111463 /nfs/dbraw/zinc/11/14/63/177111463.db2.gz HRZMRQLSYBXPCE-NSHDSACASA-N 0 3 231.343 2.322 10 0 BEAEHN C[C@H]1CCCN[C@@H]1C(=O)Nc1ccccc1 ZINC000051791920 177112899 /nfs/dbraw/zinc/11/28/99/177112899.db2.gz WOSWUXGBZWFEER-JQWIXIFHSA-N 0 3 218.300 2.013 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N2CCC(C)(C)CC2)N1 ZINC000061822073 177113015 /nfs/dbraw/zinc/11/30/15/177113015.db2.gz IFAHKTSEIMZUBT-RYUDHWBXSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N(C)C2CCCCC2)N1 ZINC000019514190 177113115 /nfs/dbraw/zinc/11/31/15/177113115.db2.gz IDLATLGKYILAAP-AAEUAGOBSA-N 0 3 238.375 2.308 10 0 BEAEHN C[C@@H]1CCC[C@H](C)C1NCc1cc[nH]n1 ZINC000041013922 177114172 /nfs/dbraw/zinc/11/41/72/177114172.db2.gz AVGXUKZAHAOHOV-DHHPTOIESA-N 0 3 207.321 2.324 10 0 BEAEHN C[C@H]1[C@H](N2CCC(=O)CC2)CCC[C@@H]1C ZINC000019436653 177121728 /nfs/dbraw/zinc/12/17/28/177121728.db2.gz PIMWGAJFYCFNOK-DMDPSCGWSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N2CCc3ccccc32)N1 ZINC000019473951 177128869 /nfs/dbraw/zinc/12/88/69/177128869.db2.gz OKBDVQZEEQZMEZ-WCQYABFASA-N 0 3 244.338 2.106 10 0 BEAEHN C[C@H]1CCN([C@@H](CN)c2ccccc2F)C1 ZINC000044372461 177169796 /nfs/dbraw/zinc/16/97/96/177169796.db2.gz ROEIWNGZCARBDZ-GWCFXTLKSA-N 0 3 222.307 2.167 10 0 BEAEHN C[C@H]1COC[C@H](CCc2ccc(F)cc2)N1 ZINC000071525011 177299908 /nfs/dbraw/zinc/29/99/08/177299908.db2.gz YEOPIIHSWQHSTP-GWCFXTLKSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@H]1CSC(NCc2ccc(F)cc2)=N1 ZINC000035294950 177302756 /nfs/dbraw/zinc/30/27/56/177302756.db2.gz XCSXRCJRXXRAQL-QMMMGPOBSA-N 0 3 224.304 2.407 10 0 BEAEHN C[C@H](Cc1ccco1)NC1=N[C@@H](C)CS1 ZINC000042592127 177303379 /nfs/dbraw/zinc/30/33/79/177303379.db2.gz QFDFBZMYMHQPFV-BDAKNGLRSA-N 0 3 224.329 2.292 10 0 BEAEHN C[C@@H]1C[C@H](C)CN([C@@H](CN)c2ccccn2)C1 ZINC000019274124 177314114 /nfs/dbraw/zinc/31/41/14/177314114.db2.gz ZUZBGWZLYDNQII-SCRDCRAPSA-N 0 3 233.359 2.059 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(Cc2csc(CN)n2)C1 ZINC000052420733 177314911 /nfs/dbraw/zinc/31/49/11/177314911.db2.gz CJMICXHDRQAMEA-AOOOYVTPSA-N 0 3 239.388 2.080 10 0 BEAEHN C[C@H]1C[C@H](C)CN(Cc2ccc(CN)o2)C1 ZINC000052420641 177359125 /nfs/dbraw/zinc/35/91/25/177359125.db2.gz JSSMRNACWYUQKE-QWRGUYRKSA-N 0 3 222.332 2.216 10 0 BEAEHN C[C@H]1C[C@H](N(C)C(=O)c2ccccc2)CCN1C ZINC000123690393 177363254 /nfs/dbraw/zinc/36/32/54/177363254.db2.gz FBTHMODTKCNMGZ-GXTWGEPZSA-N 0 3 246.354 2.241 10 0 BEAEHN C[C@H]1C[C@H]1NCc1ccc(-c2cc[nH]n2)o1 ZINC000278661153 177385506 /nfs/dbraw/zinc/38/55/06/177385506.db2.gz NHUXRFAOUUZMTI-GZMMTYOYSA-N 0 3 217.272 2.168 10 0 BEAEHN C[C@H]1NCCO[C@@H]1c1ccc(Cl)cc1 ZINC000003604764 177396387 /nfs/dbraw/zinc/39/63/87/177396387.db2.gz LKRMGIFWZXHLGL-KCJUWKMLSA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@H]1OCC[C@@H]1NCc1cc(F)c(F)c(F)c1 ZINC000134244459 177402093 /nfs/dbraw/zinc/40/20/93/177402093.db2.gz OODLEELZDBEJMN-HQJQHLMTSA-N 0 3 245.244 2.371 10 0 BEAEHN CCN1CCC[C@@H](N[C@@H](C)c2cscn2)C1 ZINC000161162528 323075847 /nfs/dbraw/zinc/07/58/47/323075847.db2.gz AETUNCZGALNFNL-WDEREUQCSA-N 0 3 239.388 2.278 10 0 BEAEHN CCn1c(C)nnc1CN[C@H](C)C1CCCC1 ZINC000184640059 323090919 /nfs/dbraw/zinc/09/09/19/323090919.db2.gz RDIFNSJIQNQWDO-SNVBAGLBSA-N 0 3 236.363 2.275 10 0 BEAEHN Cn1cc([C@@H]2NCC23CCCCC3)cn1 ZINC000389596937 323151818 /nfs/dbraw/zinc/15/18/18/323151818.db2.gz QEWBBXRRTJLAEG-NSHDSACASA-N 0 3 205.305 2.015 10 0 BEAEHN Cc1cc(C)cc(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000049096362 323157376 /nfs/dbraw/zinc/15/73/76/323157376.db2.gz UHRSHUHQEAWKOL-AWEZNQCLSA-N 0 3 246.354 2.127 10 0 BEAEHN N[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H](O)C1 ZINC000536959377 323971001 /nfs/dbraw/zinc/97/10/01/323971001.db2.gz ITSQGSJOCFVOBT-WKFQBHICSA-N 0 3 232.110 2.302 10 0 BEAEHN Cc1ccc(CNCC2(CCO)CCC2)o1 ZINC000124464893 324617417 /nfs/dbraw/zinc/61/74/17/324617417.db2.gz RKOTZKOHBPUPDM-UHFFFAOYSA-N 0 3 223.316 2.230 10 0 BEAEHN CCC[C@@H](C(=O)N1CC[C@H](N(C)C)C1)C(C)C ZINC000134601979 325366950 /nfs/dbraw/zinc/36/69/50/325366950.db2.gz GBDIGNIMVXPYHK-QWHCGFSZSA-N 0 3 240.391 2.221 10 0 BEAEHN Cc1cc(Br)cnc1[C@@H](C)N ZINC000215338943 488009066 /nfs/dbraw/zinc/00/90/66/488009066.db2.gz DPNIINIKFQBHRO-ZCFIWIBFSA-N 0 3 215.094 2.172 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cnc2ccccc2n1 ZINC000052274182 488037334 /nfs/dbraw/zinc/03/73/34/488037334.db2.gz ZADJBNZBQUEWMS-NOZJJQNGSA-N 0 3 213.284 2.128 10 0 BEAEHN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1CCC[C@@H](O)C1 ZINC000310527476 488069940 /nfs/dbraw/zinc/06/99/40/488069940.db2.gz PCOXFJCFORRWMG-AAVRWANBSA-N 0 3 241.375 2.037 10 0 BEAEHN Cc1occc1CNCC[C@@H]1CCCO1 ZINC000320880335 488120087 /nfs/dbraw/zinc/12/00/87/488120087.db2.gz GXEZUMVPODOBOQ-LBPRGKRZSA-N 0 3 209.289 2.247 10 0 BEAEHN NCc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000250119707 487527150 /nfs/dbraw/zinc/52/71/50/487527150.db2.gz QQPRMCKYLVLXLD-ZSBIGDGJSA-N 0 3 230.311 2.130 10 0 BEAEHN Cc1cccc(CN(C)C[C@@H]2CCC[C@@H](O)C2)n1 ZINC000386733521 487892915 /nfs/dbraw/zinc/89/29/15/487892915.db2.gz BGDCHCSEGQUMDH-UKRRQHHQSA-N 0 3 248.370 2.373 10 0 BEAEHN Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1 ZINC000085637866 488191515 /nfs/dbraw/zinc/19/15/15/488191515.db2.gz IXTLSUGQULEIRN-AVGNSLFASA-N 0 3 235.327 2.491 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccc(F)cn1 ZINC000220750596 490142121 /nfs/dbraw/zinc/14/21/21/490142121.db2.gz AMPFXKZQYQEAKI-MVWJERBFSA-N 0 3 238.306 2.175 10 0 BEAEHN CC(C)[C@@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000124116794 490295158 /nfs/dbraw/zinc/29/51/58/490295158.db2.gz KDUILIOUMLSKPA-LLVKDONJSA-N 0 3 246.354 2.107 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1cncc(F)c1 ZINC000222655384 490654894 /nfs/dbraw/zinc/65/48/94/490654894.db2.gz SKILEEPJFKPODK-TVYUQYBPSA-N 0 3 238.306 2.175 10 0 BEAEHN C[C@H](NCC[C@H]1CCCO1)c1cncs1 ZINC000132339406 491135224 /nfs/dbraw/zinc/13/52/24/491135224.db2.gz RAEGWEUXRQSAGP-VHSXEESVSA-N 0 3 226.345 2.363 10 0 BEAEHN CNCc1sc(C(=O)[C@H]2C[C@@H]2C)nc1C ZINC000757126934 582501399 /nfs/dbraw/zinc/50/13/99/582501399.db2.gz WSWIAWRJSUDEFT-XPUUQOCRSA-N 0 3 224.329 2.010 10 0 BEAEHN CCC1CCC2(CC1)N[C@@H](COC)CCO2 ZINC000757148647 582532854 /nfs/dbraw/zinc/53/28/54/582532854.db2.gz NTSASILHJKUQOA-OTTFEQOBSA-N 0 3 227.348 2.308 10 0 BEAEHN C[C@H]1O[C@@]2(CCCSC2)NCC1(C)C ZINC000757153526 582538128 /nfs/dbraw/zinc/53/81/28/582538128.db2.gz XEXVTGXWDPFJOA-MWLCHTKSSA-N 0 3 215.362 2.244 10 0 BEAEHN CC[C@@H](C)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000248550165 535514247 /nfs/dbraw/zinc/51/42/47/535514247.db2.gz KGMBXMIFARLQQX-MNOVXSKESA-N 0 3 222.336 2.378 10 0 BEAEHN CC[C@@H](C)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000248550165 535514254 /nfs/dbraw/zinc/51/42/54/535514254.db2.gz KGMBXMIFARLQQX-MNOVXSKESA-N 0 3 222.336 2.378 10 0 BEAEHN CNCc1cn(C(C)(C)C)nc1C(F)(F)F ZINC000057354244 522142192 /nfs/dbraw/zinc/14/21/92/522142192.db2.gz MBDYSULNEZMPQA-UHFFFAOYSA-N 0 3 235.253 2.376 10 0 BEAEHN CNCc1cccnc1N1CCC[C@@H](C)C1 ZINC000051399866 536470656 /nfs/dbraw/zinc/47/06/56/536470656.db2.gz XZEMGCSVYLAIRM-LLVKDONJSA-N 0 3 219.332 2.037 10 0 BEAEHN COC(CN1C[C@H](C)[C@@H]1c1ccccc1)OC ZINC000248714416 536508232 /nfs/dbraw/zinc/50/82/32/536508232.db2.gz KDYBFBBPBPFDDT-SMDDNHRTSA-N 0 3 235.327 2.298 10 0 BEAEHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000214949356 535057785 /nfs/dbraw/zinc/05/77/85/535057785.db2.gz FCZRQKWTNYPHEB-UPJWGTAASA-N 0 3 240.391 2.301 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1nccn1C ZINC000252731177 535495237 /nfs/dbraw/zinc/49/52/37/535495237.db2.gz OPRGMZKLLJWBID-GMTAPVOTSA-N 0 3 207.321 2.259 10 0 BEAEHN CCN1CCC[C@@H](NCc2scnc2C)C1 ZINC000084149313 535538349 /nfs/dbraw/zinc/53/83/49/535538349.db2.gz SLNLQXBIGNMYKE-LLVKDONJSA-N 0 3 239.388 2.025 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC000177039662 535584869 /nfs/dbraw/zinc/58/48/69/535584869.db2.gz HIDHTVQONFGYNW-LBPRGKRZSA-N 0 3 240.391 2.365 10 0 BEAEHN CC[C@H](CC(=O)N1CC[C@@H](N(C)C)C1)C(C)C ZINC000171508575 536062723 /nfs/dbraw/zinc/06/27/23/536062723.db2.gz UXLZFGKFJXJLNT-CHWSQXEVSA-N 0 3 240.391 2.221 10 0 BEAEHN CCc1ccc(N2CCN[C@@H](C)C2)cc1 ZINC000016944713 536184965 /nfs/dbraw/zinc/18/49/65/536184965.db2.gz VLSBBWDTQXQXNQ-NSHDSACASA-N 0 3 204.317 2.047 10 0 BEAEHN CN1CCN(C[C@@H]2CCCC2(F)F)C(C)(C)C1 ZINC000336197555 536413452 /nfs/dbraw/zinc/41/34/52/536413452.db2.gz USMQKZLHCBMPRQ-NSHDSACASA-N 0 3 246.345 2.448 10 0 BEAEHN COC1(CN2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000336187008 536629745 /nfs/dbraw/zinc/62/97/45/536629745.db2.gz KQLRZAYCBRPOBX-STQMWFEESA-N 0 3 239.359 2.199 10 0 BEAEHN COC1CC(N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000220830485 536721564 /nfs/dbraw/zinc/72/15/64/536721564.db2.gz KPNDPOCINOLHIP-NRXISQOPSA-N 0 3 248.370 2.056 10 0 BEAEHN COC(=O)[C@H]1CCCCCN1C1CCCC1 ZINC000259565817 536766314 /nfs/dbraw/zinc/76/63/14/536766314.db2.gz ABOVDRCRODFQAV-GFCCVEGCSA-N 0 3 225.332 2.347 10 0 BEAEHN C[C@H](O)CN(C)Cc1ccnc2ccccc12 ZINC000092364537 566314751 /nfs/dbraw/zinc/31/47/51/566314751.db2.gz UNAOBNDYVIWPBQ-NSHDSACASA-N 0 3 230.311 2.047 10 0 BEAEHN c1nn(C2CCC2)cc1CNC1CCC1 ZINC000675052853 566412446 /nfs/dbraw/zinc/41/24/46/566412446.db2.gz BCTGQNNRLKGFIK-UHFFFAOYSA-N 0 3 205.305 2.250 10 0 BEAEHN CCCC[C@@H](O)c1nc(C)c(CNC)s1 ZINC000757124063 582499427 /nfs/dbraw/zinc/49/94/27/582499427.db2.gz BVEUKJMQEBBPLU-SECBINFHSA-N 0 3 228.361 2.395 10 0 BEAEHN FC(F)(F)CN1CCC[C@]12CN1CCC2CC1 ZINC000757132569 582507612 /nfs/dbraw/zinc/50/76/12/582507612.db2.gz RLPDQCLWOFYAQC-LLVKDONJSA-N 0 3 248.292 2.109 10 0 BEAEHN CNCc1sc([C@@H](O)CC(C)C)nc1C ZINC000757132855 582508473 /nfs/dbraw/zinc/50/84/73/582508473.db2.gz USKDXTVITCMLGN-VIFPVBQESA-N 0 3 228.361 2.250 10 0 BEAEHN FCC1(CF)CC2(C1)NC[C@@H]1CCC[C@@H]1O2 ZINC000757139184 582519672 /nfs/dbraw/zinc/51/96/72/582519672.db2.gz FRRTVLDELLINNE-UWVGGRQHSA-N 0 3 231.286 2.190 10 0 BEAEHN CC(C)[C@H]1N[C@]2(CCCOC2)OCC1(C)C ZINC000757140809 582520725 /nfs/dbraw/zinc/52/07/25/582520725.db2.gz CARVZMJNGDFECI-DGCLKSJQSA-N 0 3 227.348 2.164 10 0 BEAEHN [NH3+][C@H](c1ccc([O-])c2ccncc21)C1CC1 ZINC000757141620 582522293 /nfs/dbraw/zinc/52/22/93/582522293.db2.gz AQASESPRXXYUAT-ZDUSSCGKSA-N 0 3 214.268 2.350 10 0 BEAEHN CC(C)[C@H]1O[C@@]2(CCSC2)NCC1(C)C ZINC000757143176 582523396 /nfs/dbraw/zinc/52/33/96/582523396.db2.gz MEMDGRCPBUHCCL-ZYHUDNBSSA-N 0 3 229.389 2.490 10 0 BEAEHN c1ccc(C[C@@H]2CCOC3(CCOCC3)N2)cc1 ZINC000757143869 582524451 /nfs/dbraw/zinc/52/44/51/582524451.db2.gz FMGCYOASXYHLLC-AWEZNQCLSA-N 0 3 247.338 2.114 10 0 BEAEHN CC(C)[C@H]1N[C@@]2(CCSC2)OCC1(C)C ZINC000757144796 582525531 /nfs/dbraw/zinc/52/55/31/582525531.db2.gz HISMWOVUOUALRJ-PWSUYJOCSA-N 0 3 229.389 2.490 10 0 BEAEHN CC(C)(C)[C@@H]1CN[C@@]2(CCCSC2)OC1 ZINC000757152402 582536867 /nfs/dbraw/zinc/53/68/67/582536867.db2.gz RZXWORYEFQFPGW-PWSUYJOCSA-N 0 3 229.389 2.492 10 0 BEAEHN Cc1cc(CC(=O)C(C)(C)N)ccc1Cl ZINC000757155933 582539549 /nfs/dbraw/zinc/53/95/49/582539549.db2.gz FPNWFAOKOZSGAU-UHFFFAOYSA-N 0 3 225.719 2.497 10 0 BEAEHN c1nc2c([nH]1)[C@@H](CC1CCCC1)NCC2 ZINC000400498137 582579463 /nfs/dbraw/zinc/57/94/63/582579463.db2.gz MHYLSXSODRZYLN-LLVKDONJSA-N 0 3 205.305 2.177 10 0 BEAEHN Cc1ccc([C@@H]2CNc3nccn3C2)cc1 ZINC000236000750 582635581 /nfs/dbraw/zinc/63/55/81/582635581.db2.gz ROHIRXOICOKSIQ-GFCCVEGCSA-N 0 3 213.284 2.401 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2cc(F)cc(F)c2)C1 ZINC000229805811 582673463 /nfs/dbraw/zinc/67/34/63/582673463.db2.gz RDUUOJQXUZQLPW-QWHCGFSZSA-N 0 3 241.281 2.358 10 0 BEAEHN CC(C)c1ccc(CN[C@@H](C(N)=O)C(C)C)cc1 ZINC000107323157 582805521 /nfs/dbraw/zinc/80/55/21/582805521.db2.gz DWPQGYLNKJQPTB-CQSZACIVSA-N 0 3 248.370 2.410 10 0 BEAEHN Fc1cccc2c1CC[C@H]2NCc1cnc[nH]1 ZINC000112344068 582819904 /nfs/dbraw/zinc/81/99/04/582819904.db2.gz KLMCPNBXXPXODL-CYBMUJFWSA-N 0 3 231.274 2.326 10 0 BEAEHN c1cc2c(s1)CCN[C@@H]2[C@@H]1CCCOC1 ZINC000397164750 583098589 /nfs/dbraw/zinc/09/85/89/583098589.db2.gz ZKRPAIFBXNTOKX-BXKDBHETSA-N 0 3 223.341 2.362 10 0 BEAEHN CCC[C@@H]1CCO[C@]2(COC(C)(C)C2)N1 ZINC000757143410 586428317 /nfs/dbraw/zinc/42/83/17/586428317.db2.gz MRDFRUUWHKANDM-ZYHUDNBSSA-N 0 3 213.321 2.060 10 0 BEAEHN C[C@@H]1CC(C)(C)O[C@]2(COC(C)(C)C2)N1 ZINC000757154247 586430242 /nfs/dbraw/zinc/43/02/42/586430242.db2.gz ZQIVZGSPZXDTCQ-BXKDBHETSA-N 0 3 213.321 2.059 10 0 BEAEHN CCCN(CCC(C)=O)C[C@H]1CCCCO1 ZINC000120864154 589472948 /nfs/dbraw/zinc/47/29/48/589472948.db2.gz JPBJHQPZQMEVCH-CYBMUJFWSA-N 0 3 227.348 2.247 10 0 BEAEHN OCCN(Cc1ccoc1)C1CCCC1 ZINC000124024188 589905593 /nfs/dbraw/zinc/90/55/93/589905593.db2.gz SGYFSLFNPBYZMQ-UHFFFAOYSA-N 0 3 209.289 2.017 10 0 BEAEHN CC[C@H](C)NC(=O)[C@@H](C)NCCc1ccccc1 ZINC000020364213 590104870 /nfs/dbraw/zinc/10/48/70/590104870.db2.gz MMCKBFXELFGFLY-QWHCGFSZSA-N 0 3 248.370 2.122 10 0 BEAEHN Cc1cc(N2CC[C@@H](C(C)(C)C)C2)nc(N)n1 ZINC000128432619 591038430 /nfs/dbraw/zinc/03/84/30/591038430.db2.gz CXMPONXGXJULIC-SNVBAGLBSA-N 0 3 234.347 2.240 10 0 BEAEHN O[C@H](CN[C@H]1CCc2c1cccc2F)C1CC1 ZINC000214665376 591701503 /nfs/dbraw/zinc/70/15/03/591701503.db2.gz YHPZSABRPMSIBK-UONOGXRCSA-N 0 3 235.302 2.174 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[S@](C)=O)cc1C ZINC000133808271 591860836 /nfs/dbraw/zinc/86/08/36/591860836.db2.gz MXQOPGZIIRXDGE-MLGOLLRUSA-N 0 3 239.384 2.333 10 0 BEAEHN Cc1ccc([C@H](C)NCC[S@](C)=O)c(C)c1 ZINC000133837991 591862556 /nfs/dbraw/zinc/86/25/56/591862556.db2.gz GLWDOPSPEUQHLO-BLLLJJGKSA-N 0 3 239.384 2.333 10 0 BEAEHN Clc1ccc2c(c1)C[C@H](NCc1cn[nH]c1)C2 ZINC000134848941 591952652 /nfs/dbraw/zinc/95/26/52/591952652.db2.gz KWCXBQRFPXOHQR-CYBMUJFWSA-N 0 3 247.729 2.320 10 0 BEAEHN CSCCCCCCNCc1cncnc1 ZINC000134865943 591954376 /nfs/dbraw/zinc/95/43/76/591954376.db2.gz WZWKFWAKTAHVFW-UHFFFAOYSA-N 0 3 239.388 2.490 10 0 BEAEHN CC[C@@]1(C)CN(CC2(O)CCCCC2)CCO1 ZINC000135605775 592025734 /nfs/dbraw/zinc/02/57/34/592025734.db2.gz APIRYSGZFPNVGJ-ZDUSSCGKSA-N 0 3 241.375 2.183 10 0 BEAEHN Cc1ccc(CNC[C@@H]2CCCC[C@@H]2O)o1 ZINC000077205491 592319614 /nfs/dbraw/zinc/31/96/14/592319614.db2.gz PWGIVJIRZSBIJG-AAEUAGOBSA-N 0 3 223.316 2.229 10 0 BEAEHN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)[C@H](C)O ZINC000336778192 635288631 /nfs/dbraw/zinc/28/86/31/635288631.db2.gz KPJITQGXIPAXTN-VGMNWLOBSA-N 0 3 229.270 2.385 10 0 BEAEHN CCC[C@@H](N)C(=O)NCC(CC)(CC)SC ZINC000225534869 635412892 /nfs/dbraw/zinc/41/28/92/635412892.db2.gz QAIPHYGRYLZBGX-SNVBAGLBSA-N 0 3 246.420 2.152 10 0 BEAEHN OCc1cnccc1N1CCc2sccc2C1 ZINC000126404734 635813115 /nfs/dbraw/zinc/81/31/15/635813115.db2.gz ZGDOTUGPBICSBB-UHFFFAOYSA-N 0 3 246.335 2.198 10 0 BEAEHN CCN1CC[C@H](Nc2nc(Cl)cs2)C1 ZINC000307386787 635987850 /nfs/dbraw/zinc/98/78/50/635987850.db2.gz LVXHIMNSLQSILU-ZETCQYMHSA-N 0 3 231.752 2.303 10 0 BEAEHN COC(=O)C[C@H](N)c1ccc(F)c(Cl)c1 ZINC000084192386 636075769 /nfs/dbraw/zinc/07/57/69/636075769.db2.gz DZEVUVZWOJQEBX-VIFPVBQESA-N 0 3 231.654 2.042 10 0 BEAEHN CCc1ccc([C@H](C)N[C@@H](C)[C@@H](C)O)o1 ZINC000336757178 635281123 /nfs/dbraw/zinc/28/11/23/635281123.db2.gz JAKCFKNQQRZIBU-LPEHRKFASA-N 0 3 211.305 2.262 10 0 BEAEHN C[C@@H](O)[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000336778193 635287196 /nfs/dbraw/zinc/28/71/96/635287196.db2.gz KPJITQGXIPAXTN-XHNCKOQMSA-N 0 3 229.270 2.385 10 0 BEAEHN CC(C)c1ncc(CN[C@@H](C)[C@@H](C)O)s1 ZINC000336772864 635288456 /nfs/dbraw/zinc/28/84/56/635288456.db2.gz YKVZYOQFZGKTMB-DTWKUNHWSA-N 0 3 228.361 2.125 10 0 BEAEHN CN(CCC(=O)C(C)(C)C)C[C@H]1CCCO1 ZINC000054026620 635326786 /nfs/dbraw/zinc/32/67/86/635326786.db2.gz MMQMXUJGLNZQQH-LLVKDONJSA-N 0 3 227.348 2.103 10 0 BEAEHN Cc1cc(NCCc2ccccc2C)nc(N)n1 ZINC000043533038 638518279 /nfs/dbraw/zinc/51/82/79/638518279.db2.gz AVXDNEUJMNKYBP-UHFFFAOYSA-N 0 3 242.326 2.330 10 0 BEAEHN Cc1cc(NCCc2ccccc2F)nc(N)n1 ZINC000043533074 638518426 /nfs/dbraw/zinc/51/84/26/638518426.db2.gz KIHZGYOVRYBUJM-UHFFFAOYSA-N 0 3 246.289 2.161 10 0 BEAEHN Cc1cccc(Cc2noc([C@H]3CCCN3)n2)c1 ZINC000043561007 638585820 /nfs/dbraw/zinc/58/58/20/638585820.db2.gz PFFFHVHAISOERA-GFCCVEGCSA-N 0 3 243.310 2.393 10 0 BEAEHN CCC[C@H](N)c1nc(C2CCCC2)nn1C ZINC000054699132 640321503 /nfs/dbraw/zinc/32/15/03/640321503.db2.gz WOOSCWIZHKEPIF-JTQLQIEISA-N 0 3 222.336 2.273 10 0 BEAEHN C1CN[C@@H](c2nc([C@@H]3CCCCS3)no2)C1 ZINC000087700233 640979234 /nfs/dbraw/zinc/97/92/34/640979234.db2.gz CSANAKNVIQRWEK-BDAKNGLRSA-N 0 3 239.344 2.452 10 0 BEAEHN COC1CC(NCc2cc(F)c(F)cc2F)C1 ZINC000230689298 641086277 /nfs/dbraw/zinc/08/62/77/641086277.db2.gz LAOMZXPEKRLCPF-UHFFFAOYSA-N 0 3 245.244 2.371 10 0 BEAEHN Cc1cc(N[C@@H]2CCCC[C@@H]2C)nc(N)n1 ZINC000043532282 641565004 /nfs/dbraw/zinc/56/50/04/641565004.db2.gz HDYAUZPFJDOXNF-WCBMZHEXSA-N 0 3 220.320 2.358 10 0 BEAEHN Cc1cc(N2CCCCCCC2)nc(N)n1 ZINC000043532279 641566053 /nfs/dbraw/zinc/56/60/53/641566053.db2.gz KEMQZQKYKCBPPE-UHFFFAOYSA-N 0 3 220.320 2.138 10 0 BEAEHN C[C@@H](NC[C@@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299270 643125863 /nfs/dbraw/zinc/12/58/63/643125863.db2.gz AYHNTYZMJCVURB-AMIZOPFISA-N 0 3 241.281 2.386 10 0 BEAEHN C[C@H](NC[C@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299264 643126288 /nfs/dbraw/zinc/12/62/88/643126288.db2.gz AYHNTYZMJCVURB-SDBXPKJASA-N 0 3 241.281 2.386 10 0 BEAEHN CC(C)(C)Cc1noc([C@H]2CCCN2)n1 ZINC000082673377 643365511 /nfs/dbraw/zinc/36/55/11/643365511.db2.gz PAJKLXJKULKWJW-MRVPVSSYSA-N 0 3 209.293 2.083 10 0 BEAEHN CCOC(=O)[C@H]1CCCN[C@H]1c1ccsc1 ZINC000757211038 643369733 /nfs/dbraw/zinc/36/97/33/643369733.db2.gz FRMOFKRCLOPVPK-QWRGUYRKSA-N 0 3 239.340 2.352 10 0 BEAEHN CO[C@@H]1CCC[C@@H]1NCc1cccc2c1OCO2 ZINC000049948616 643626703 /nfs/dbraw/zinc/62/67/03/643626703.db2.gz VRIDZBMQGBWIGH-NWDGAFQWSA-N 0 3 249.310 2.072 10 0 BEAEHN CO[C@H]1CCC[C@H]1N[C@@H](C)c1ccccn1 ZINC000050369259 643690754 /nfs/dbraw/zinc/69/07/54/643690754.db2.gz SRIWLYLXPWVWCN-UHTWSYAYSA-N 0 3 220.316 2.300 10 0 BEAEHN Cc1nc(CN[C@H]2CCCC[C@H]2O)sc1C ZINC000087375900 644492760 /nfs/dbraw/zinc/49/27/60/644492760.db2.gz KSQNVUNULMYVCV-WDEREUQCSA-N 0 3 240.372 2.153 10 0 BEAEHN CO[C@H](C)[C@H](C)N[C@H]1COc2ccccc21 ZINC000252732442 644892623 /nfs/dbraw/zinc/89/26/23/644892623.db2.gz VCBQMKGQLQOPPD-UMNHJUIQSA-N 0 3 221.300 2.133 10 0 BEAEHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1cccs1 ZINC000304383781 644898100 /nfs/dbraw/zinc/89/81/00/644898100.db2.gz RIGSJVNDWUYKBH-PSASIEDQSA-N 0 3 238.356 2.053 10 0 BEAEHN C[C@@H](NC(=O)[C@@H](N)CC1CC1)c1cccs1 ZINC000304383783 644899137 /nfs/dbraw/zinc/89/91/37/644899137.db2.gz RIGSJVNDWUYKBH-SCZZXKLOSA-N 0 3 238.356 2.053 10 0 BEAEHN COCC1CC(NCc2cc(F)ccc2F)C1 ZINC000713958142 712475204 /nfs/dbraw/zinc/47/52/04/712475204.db2.gz DDVYQKYDCOKIFG-UHFFFAOYSA-N 0 3 241.281 2.479 10 0 BEAEHN CCCCC[C@@H](C)NC(=O)[C@@H](N)CCC ZINC000036873378 712506573 /nfs/dbraw/zinc/50/65/73/712506573.db2.gz CTTXLIRDCFOXEJ-MNOVXSKESA-N 0 3 214.353 2.199 10 0 BEAEHN Cc1coc(CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000718147188 712748630 /nfs/dbraw/zinc/74/86/30/712748630.db2.gz WIJUNRVXLJWZGO-CMPLNLGQSA-N 0 3 209.289 2.245 10 0 BEAEHN CC(C)C[C@@H](C)CN[C@H](C)c1cn(C)nn1 ZINC000720584374 712854841 /nfs/dbraw/zinc/85/48/41/712854841.db2.gz RAWIRTGUIMJDDC-GHMZBOCLSA-N 0 3 224.352 2.148 10 0 BEAEHN CC[C@H]1COC[C@H]1NCc1ncc(C)cc1C ZINC000724097951 711560591 /nfs/dbraw/zinc/56/05/91/711560591.db2.gz NMJMLJDVRWQTNY-GXTWGEPZSA-N 0 3 234.343 2.213 10 0 BEAEHN COc1ncc(CNC2CC(SC)C2)s1 ZINC000708270522 712184586 /nfs/dbraw/zinc/18/45/86/712184586.db2.gz SUZJCPSJBNDHJP-UHFFFAOYSA-N 0 3 244.385 2.135 10 0 BEAEHN COCc1nc(CNC[C@H]2C=CCC2)cs1 ZINC000711681953 712316824 /nfs/dbraw/zinc/31/68/24/712316824.db2.gz ZCOMCUPUVHKPKU-JTQLQIEISA-N 0 3 238.356 2.345 10 0 BEAEHN CC(C)[C@H](C)NCc1nccn1C1CC1 ZINC000711782817 712329530 /nfs/dbraw/zinc/32/95/30/712329530.db2.gz HJZVEXVWJQDEQT-JTQLQIEISA-N 0 3 207.321 2.352 10 0 BEAEHN CCc1cnc(CNC2CC(COC)C2)s1 ZINC000713958177 712475005 /nfs/dbraw/zinc/47/50/05/712475005.db2.gz FOZVIRWMFKLHHC-UHFFFAOYSA-N 0 3 240.372 2.220 10 0 BEAEHN CCC[C@H](C)CN[C@H](C)c1nnc2n1CCC2 ZINC000037148548 712547674 /nfs/dbraw/zinc/54/76/74/712547674.db2.gz MHYANPWCTJRESC-WDEREUQCSA-N 0 3 236.363 2.311 10 0 BEAEHN Cn1cc(CN[C@H]2CCCCCC2(C)C)nn1 ZINC000719305694 712803995 /nfs/dbraw/zinc/80/39/95/712803995.db2.gz AGBHKBCBHRCNOL-LBPRGKRZSA-N 0 3 236.363 2.264 10 0 BEAEHN CCCC[C@H](CC)N[C@H](C)c1cn(C)nn1 ZINC000720584738 712854654 /nfs/dbraw/zinc/85/46/54/712854654.db2.gz UZBGKHPXAAPGIK-MNOVXSKESA-N 0 3 224.352 2.435 10 0 BEAEHN CCCC(CCC)N[C@@H](C)c1cn(C)nn1 ZINC000720583650 712854674 /nfs/dbraw/zinc/85/46/74/712854674.db2.gz LQPVAVZQLHRCAE-JTQLQIEISA-N 0 3 224.352 2.435 10 0 BEAEHN CCCC(CCC)N[C@H](C)c1cn(C)nn1 ZINC000720583651 712854994 /nfs/dbraw/zinc/85/49/94/712854994.db2.gz LQPVAVZQLHRCAE-SNVBAGLBSA-N 0 3 224.352 2.435 10 0 BEAEHN CCSCCCNCc1ncccc1F ZINC000134770504 1168425534 /nfs/dbraw/zinc/42/55/34/1168425534.db2.gz HIMSAWQISSHDAJ-UHFFFAOYSA-N 0 3 228.336 2.454 10 0 BEAEHN C[C@@H]1CCC[C@@H](N(C)CN2CCOC2=S)C1 ZINC000124598821 960748926 /nfs/dbraw/zinc/74/89/26/960748926.db2.gz BFOPEMZMJMBCAG-GHMZBOCLSA-N 0 3 242.388 2.072 10 0 BEAEHN CC(C)CN[C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC000037946164 1170996290 /nfs/dbraw/zinc/99/62/90/1170996290.db2.gz BYBAOVDTVCIGGY-LLVKDONJSA-N 0 3 240.734 2.112 10 0 BEAEHN C=C(OCC)c1ncccc1CNC1CC1 ZINC000685965137 538911378 /nfs/dbraw/zinc/91/13/78/538911378.db2.gz PWKGUWNSYHTDIN-UHFFFAOYSA-N 0 3 218.300 2.341 10 0 BEAEHN CCC(CC)(CO)CN(C)Cc1cccnc1 ZINC000051293473 168326370 /nfs/dbraw/zinc/32/63/70/168326370.db2.gz AVCIDJLCZZQVAQ-UHFFFAOYSA-N 0 3 236.359 2.312 10 0 BEAEHN Cc1cc(CN)sc1Br ZINC000082389277 177984602 /nfs/dbraw/zinc/98/46/02/177984602.db2.gz IRYXCFBETHAWIL-UHFFFAOYSA-N 0 3 206.108 2.278 10 0 BEAEHN OCC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000161608861 349484544 /nfs/dbraw/zinc/48/45/44/349484544.db2.gz KJLXIKYSJPOJOL-NSHDSACASA-N 0 3 223.291 2.030 10 0 BEAEHN CCC(CC)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123945758 168332253 /nfs/dbraw/zinc/33/22/53/168332253.db2.gz ZURSWHXKURYECB-DGCLKSJQSA-N 0 3 240.391 2.364 10 0 BEAEHN COCc1ccc(CN[C@H](C)[C@@H]2CCCO2)o1 ZINC000125428013 398151860 /nfs/dbraw/zinc/15/18/60/398151860.db2.gz FBJBZWBMGYOEAL-MFKMUULPSA-N 0 3 239.315 2.083 10 0 BEAEHN Cc1cc(CN[C@@H]2CCCOC2)cc(C)c1O ZINC000109544499 178032617 /nfs/dbraw/zinc/03/26/17/178032617.db2.gz TTZWTNQWZUMWLX-CYBMUJFWSA-N 0 3 235.327 2.278 10 0 BEAEHN Cc1cc(CN[C@@H]2CCC[C@@H]2C)nc(C)n1 ZINC000309738698 178032815 /nfs/dbraw/zinc/03/28/15/178032815.db2.gz CXQHMQYJSPQRDS-TVQRCGJNSA-N 0 3 219.332 2.372 10 0 BEAEHN Cc1cc(CN[C@H]2CCC[C@H]2C)nc(C)n1 ZINC000309738696 178040537 /nfs/dbraw/zinc/04/05/37/178040537.db2.gz CXQHMQYJSPQRDS-RNCFNFMXSA-N 0 3 219.332 2.372 10 0 BEAEHN Cc1cc(Cl)cn2c([C@@H](C)N)cnc12 ZINC000082693420 178070386 /nfs/dbraw/zinc/07/03/86/178070386.db2.gz MSOYQBWXIFNSPW-SSDOTTSWSA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1cc(F)ccc1NC(=O)[C@](C)(N)C1CC1 ZINC000037614334 178089202 /nfs/dbraw/zinc/08/92/02/178089202.db2.gz FLPIGJGZORMLDW-CYBMUJFWSA-N 0 3 236.290 2.200 10 0 BEAEHN Cc1cc(N)ccc1N[C@H]1CCCN(C)C1 ZINC000040715753 178107210 /nfs/dbraw/zinc/10/72/10/178107210.db2.gz ATOGJYHWTNXAAA-LBPRGKRZSA-N 0 3 219.332 2.083 10 0 BEAEHN CC1(C)CCO[C@](C)(C(F)(F)F)CN1 ZINC000306465041 398201447 /nfs/dbraw/zinc/20/14/47/398201447.db2.gz JPTWIPZKDYNQCN-QMMMGPOBSA-N 0 3 211.227 2.096 10 0 BEAEHN Cc1cc(NC(=O)C[C@@H](N)c2ccccc2)no1 ZINC000019518451 178132103 /nfs/dbraw/zinc/13/21/03/178132103.db2.gz IXPLDBYLSNQBHA-LLVKDONJSA-N 0 3 245.282 2.012 10 0 BEAEHN CCC(CC)CN(C)CC(=O)NC(C)(C)C ZINC000120701151 168346875 /nfs/dbraw/zinc/34/68/75/168346875.db2.gz RQAVQUBFQLRHMD-UHFFFAOYSA-N 0 3 228.380 2.269 10 0 BEAEHN Cc1cc(S[C@@H](CN)c2ccco2)n(C)n1 ZINC000052309528 178219619 /nfs/dbraw/zinc/21/96/19/178219619.db2.gz GUVAOQNAXYMWEJ-JTQLQIEISA-N 0 3 237.328 2.114 10 0 BEAEHN Cc1cc([C@@H](O)CCN(C)C)ccc1F ZINC000041144885 178237669 /nfs/dbraw/zinc/23/76/69/178237669.db2.gz DPYGIFMTIAXILC-LBPRGKRZSA-N 0 3 211.280 2.119 10 0 BEAEHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]2O)c(C)o1 ZINC000044730414 178253456 /nfs/dbraw/zinc/25/34/56/178253456.db2.gz LUNNIHKRUDAQJS-BIMULSAOSA-N 0 3 223.316 2.460 10 0 BEAEHN Cc1cc([C@H](O)CCN(C)C)ccc1F ZINC000041144884 178263987 /nfs/dbraw/zinc/26/39/87/178263987.db2.gz DPYGIFMTIAXILC-GFCCVEGCSA-N 0 3 211.280 2.119 10 0 BEAEHN Cc1cc([C@H](O)CN(C)C)cc(C)c1C ZINC000039105612 178264509 /nfs/dbraw/zinc/26/45/09/178264509.db2.gz USEIMAMIUVJLTR-CYBMUJFWSA-N 0 3 207.317 2.207 10 0 BEAEHN Cc1cc2c(cc1C)[S@](=O)CCC[C@H]2N ZINC000040975000 178287444 /nfs/dbraw/zinc/28/74/44/178287444.db2.gz WONRZYBSIWCUNT-ABAIWWIYSA-N 0 3 223.341 2.205 10 0 BEAEHN C[C@H]1CCC[C@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000383871828 398258799 /nfs/dbraw/zinc/25/87/99/398258799.db2.gz HXNNPKXASTWRBZ-QWRGUYRKSA-N 0 3 236.363 2.298 10 0 BEAEHN OC[C@@H]1C[C@H]1NCc1csc2ccccc12 ZINC000309580553 342685406 /nfs/dbraw/zinc/68/54/06/342685406.db2.gz QFBYFRUAMGIEPK-JOYOIKCWSA-N 0 3 233.336 2.372 10 0 BEAEHN CCc1c(C)[nH]c2c1C(=O)[C@@H]1CN(C)CC[C@H]1C2 ZINC000004217315 342744668 /nfs/dbraw/zinc/74/46/68/342744668.db2.gz PVZMYDPRVUCJKV-CMPLNLGQSA-N 0 3 246.354 2.192 10 0 in-man BEAEHN CC(=O)c1ccc(-c2cc(N)nc(N)c2)cc1 ZINC000145722017 342761949 /nfs/dbraw/zinc/76/19/49/342761949.db2.gz DWNXWIJFXYBINW-UHFFFAOYSA-N 0 3 227.267 2.116 10 0 BEAEHN CC1(C)CN([C@H]2CCOC2)CC2(CCCC2)O1 ZINC000336437655 342805806 /nfs/dbraw/zinc/80/58/06/342805806.db2.gz RWXDKTREKOYLFN-LBPRGKRZSA-N 0 3 239.359 2.199 10 0 BEAEHN Cc1c(CN[C@@H]2CCC(F)(F)C2)cnn1C ZINC000381021540 538994113 /nfs/dbraw/zinc/99/41/13/538994113.db2.gz AGTPGHJJKFWNSU-SNVBAGLBSA-N 0 3 229.274 2.006 10 0 BEAEHN CCN1C[C@H](C)[C@H](Nc2ccc(Cl)cn2)C1 ZINC000381466787 539001361 /nfs/dbraw/zinc/00/13/61/539001361.db2.gz MTOCUOPYIYLJQA-GXSJLCMTSA-N 0 3 239.750 2.487 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@H](C)c2cncs2)C1 ZINC000381542369 539003845 /nfs/dbraw/zinc/00/38/45/539003845.db2.gz IOINEUWCAHTRMP-HBNTYKKESA-N 0 3 239.388 2.134 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@H](C)c2ccco2)C1 ZINC000381739411 539006578 /nfs/dbraw/zinc/00/65/78/539006578.db2.gz ORCCGOZKFQTYCP-QJPTWQEYSA-N 0 3 222.332 2.270 10 0 BEAEHN CC[C@](C)(OC)[C@@H]1NCCc2occc21 ZINC000709945848 539027863 /nfs/dbraw/zinc/02/78/63/539027863.db2.gz WWXKPCBQSXIIAK-NEPJUHHUSA-N 0 3 209.289 2.282 10 0 BEAEHN CC[C@@](C)(N)c1nc(C)ncc1Br ZINC000306162350 398322767 /nfs/dbraw/zinc/32/27/67/398322767.db2.gz MZKUPEWCVXRALZ-SECBINFHSA-N 0 3 244.136 2.131 10 0 BEAEHN CC(C)[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000177062068 534926688 /nfs/dbraw/zinc/92/66/88/534926688.db2.gz DGCQFKRURZBIBG-AVGNSLFASA-N 0 3 240.391 2.123 10 0 BEAEHN Fc1ccccc1CNCC[C@H]1CCCO1 ZINC000037988681 398335461 /nfs/dbraw/zinc/33/54/61/398335461.db2.gz NGVZJOLKZGMXCX-GFCCVEGCSA-N 0 3 223.291 2.484 10 0 BEAEHN CCN1CCC[C@H](NCc2csc(C)n2)C1 ZINC000040502567 346901943 /nfs/dbraw/zinc/90/19/43/346901943.db2.gz QQSMLSDALXWXNW-NSHDSACASA-N 0 3 239.388 2.025 10 0 BEAEHN C1CCC(N2CCS[C@H]3COCC[C@@H]32)C1 ZINC000120168021 187222138 /nfs/dbraw/zinc/22/21/38/187222138.db2.gz PKRDGKSZBSPLPZ-RYUDHWBXSA-N 0 3 227.373 2.135 10 0 BEAEHN N[C@@H]1CC(CF)(CF)Oc2ccc(F)cc21 ZINC000139538217 343066128 /nfs/dbraw/zinc/06/61/28/343066128.db2.gz MXLWVBBYFZORNY-SECBINFHSA-N 0 3 231.217 2.286 10 0 BEAEHN N[C@H](CO)c1ccccc1OCc1ccccc1 ZINC000072198970 343068920 /nfs/dbraw/zinc/06/89/20/343068920.db2.gz KGKQPMFDSNLLII-CQSZACIVSA-N 0 3 243.306 2.258 10 0 BEAEHN N[C@@H](CO)c1cccc(-c2ccccc2)c1 ZINC000072198215 343069006 /nfs/dbraw/zinc/06/90/06/343069006.db2.gz RNPSFAAPHANRET-AWEZNQCLSA-N 0 3 213.280 2.346 10 0 BEAEHN N[C@@H](CO)c1cccc(C(F)(F)F)c1Cl ZINC000072198897 343069021 /nfs/dbraw/zinc/06/90/21/343069021.db2.gz JOXZGGCLGYXDON-ZETCQYMHSA-N 0 3 239.624 2.351 10 0 BEAEHN N[C@@H](CO)c1ccccc1OCc1ccccc1 ZINC000072198971 343069273 /nfs/dbraw/zinc/06/92/73/343069273.db2.gz KGKQPMFDSNLLII-AWEZNQCLSA-N 0 3 243.306 2.258 10 0 BEAEHN CC1(C)CSC(NC[C@H]2CCSC2)=N1 ZINC000228589038 362006316 /nfs/dbraw/zinc/00/63/16/362006316.db2.gz ULGIODJQXLSTNI-MRVPVSSYSA-N 0 3 230.402 2.211 10 0 BEAEHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NCCc1nc[nH]c12 ZINC000400462047 343078841 /nfs/dbraw/zinc/07/88/41/343078841.db2.gz OXRLYJVDSUWDSD-DDFAGTSDSA-N 0 3 219.332 2.207 10 0 BEAEHN N=C(NO)C1(c2nccc3ccccc32)CC1 ZINC000584880889 343081712 /nfs/dbraw/zinc/08/17/12/343081712.db2.gz AHEWGZYNEQDLIL-UHFFFAOYSA-N 0 3 227.267 2.222 10 0 BEAEHN CCNc1c(N)cnc2ccc(C)c(F)c21 ZINC000584882776 343085574 /nfs/dbraw/zinc/08/55/74/343085574.db2.gz QWKFHAIREKLBIF-UHFFFAOYSA-N 0 3 219.263 2.118 10 0 BEAEHN CCNc1c(N)cnc2c(C)ccc(F)c21 ZINC000584882829 343085703 /nfs/dbraw/zinc/08/57/03/343085703.db2.gz VCUHTGYQKMRTIP-UHFFFAOYSA-N 0 3 219.263 2.118 10 0 BEAEHN Cn1cc([C@@H](N)c2ccc(Cl)cc2)cn1 ZINC000026514842 343106699 /nfs/dbraw/zinc/10/66/99/343106699.db2.gz QONFVVQUYMJQQR-NSHDSACASA-N 0 3 221.691 2.122 10 0 BEAEHN COc1ccc2c(c1)O[C@H](C1CC1)C[C@@H]2N ZINC000130805705 343182243 /nfs/dbraw/zinc/18/22/43/343182243.db2.gz LIAKNAIBMWJCBB-RYUDHWBXSA-N 0 3 219.284 2.256 10 0 BEAEHN CN[C@H](C)C(=O)N(CCC(C)C)C1CCCC1 ZINC000094847934 343153738 /nfs/dbraw/zinc/15/37/38/343153738.db2.gz NVFRMRBGYLQJPY-GFCCVEGCSA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@@H](NC(=O)c1ccc2c(c1)CNC2)C(C)(C)C ZINC000122719304 343161095 /nfs/dbraw/zinc/16/10/95/343161095.db2.gz CYAXAQDXMMUIPD-SNVBAGLBSA-N 0 3 246.354 2.454 10 0 BEAEHN Cc1ccc(C)c2c1[C@H](N)CCC[S@]2=O ZINC000040974308 178507881 /nfs/dbraw/zinc/50/78/81/178507881.db2.gz CSSJHCHATQSTBH-BMIGLBTASA-N 0 3 223.341 2.205 10 0 BEAEHN N[C@@H]1COc2c1c(Cl)ccc2Cl ZINC000035654274 343301298 /nfs/dbraw/zinc/30/12/98/343301298.db2.gz ZUKFBYMLGJQSCE-ZCFIWIBFSA-N 0 3 204.056 2.386 10 0 BEAEHN Nc1nc(-c2ccc(Br)s2)c[nH]1 ZINC000036164778 343311347 /nfs/dbraw/zinc/31/13/47/343311347.db2.gz ZJNWSIHHNHZSKA-UHFFFAOYSA-N 0 3 244.117 2.483 10 0 BEAEHN OCCC[C@@H]1CCCN1CCC(F)(F)F ZINC000070916153 343339424 /nfs/dbraw/zinc/33/94/24/343339424.db2.gz VDUUDODWSOCOTE-VIFPVBQESA-N 0 3 225.254 2.176 10 0 BEAEHN COC(=O)CCCN[C@H](C)c1ccc(C)o1 ZINC000037416990 343345132 /nfs/dbraw/zinc/34/51/32/343345132.db2.gz XRFRBBVFFOIWOW-SNVBAGLBSA-N 0 3 225.288 2.192 10 0 BEAEHN C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1ccco1 ZINC000037691499 343351266 /nfs/dbraw/zinc/35/12/66/343351266.db2.gz ZXOFLICGJOBNNZ-MXWKQRLJSA-N 0 3 209.289 2.234 10 0 BEAEHN COc1ccc([C@H](N)c2ccncc2)c(F)c1 ZINC000036766566 187258789 /nfs/dbraw/zinc/25/87/89/187258789.db2.gz LMRIPZVXBQVZPQ-CYBMUJFWSA-N 0 3 232.258 2.277 10 0 BEAEHN CN(C)CCOc1cc2ccccc2cc1O ZINC000036897006 187259341 /nfs/dbraw/zinc/25/93/41/187259341.db2.gz CROKQAMXECOJHV-UHFFFAOYSA-N 0 3 231.295 2.486 10 0 BEAEHN CCOc1ccc2c(cc3n2CCNC3)c1 ZINC000039100260 343383537 /nfs/dbraw/zinc/38/35/37/343383537.db2.gz HAIYMBIBZPDZLO-UHFFFAOYSA-N 0 3 216.284 2.143 10 0 BEAEHN CCC[C@H]1NCc2sc(N)nc2[C@H]1C ZINC000039109076 343384905 /nfs/dbraw/zinc/38/49/05/343384905.db2.gz ANZGPGIGZNKFSM-NKWVEPMBSA-N 0 3 211.334 2.101 10 0 BEAEHN CCN(C)Cc1cccc(C)c1NC(C)=O ZINC000039110282 343385227 /nfs/dbraw/zinc/38/52/27/343385227.db2.gz YZHRUPYMRJAOLD-UHFFFAOYSA-N 0 3 220.316 2.405 10 0 BEAEHN Cc1nccc(CNCCC2CCCC2)n1 ZINC000054790687 136372974 /nfs/dbraw/zinc/37/29/74/136372974.db2.gz QGNNKPQLKJRMNU-UHFFFAOYSA-N 0 3 219.332 2.455 10 0 BEAEHN CCCn1nc(CNC)c(-c2ccccc2)n1 ZINC000045944930 343536173 /nfs/dbraw/zinc/53/61/73/343536173.db2.gz ZPGUFMNGFXCXGP-UHFFFAOYSA-N 0 3 230.315 2.075 10 0 BEAEHN C[C@@H]1CC[C@]2(CO1)NCCc1ccsc12 ZINC000712542740 537791473 /nfs/dbraw/zinc/79/14/73/537791473.db2.gz NSJCWWHECAXZTC-BXKDBHETSA-N 0 3 223.341 2.288 10 0 BEAEHN CC(C)[C@@H](N)c1nc(-c2cnn(C)c2)cs1 ZINC000044495448 187267762 /nfs/dbraw/zinc/26/77/62/187267762.db2.gz XPCWFUHHTRPRGV-SNVBAGLBSA-N 0 3 236.344 2.199 10 0 BEAEHN C[Si](C)(C)CN(CO)Cc1ccccc1 ZINC000205647168 343638485 /nfs/dbraw/zinc/63/84/85/343638485.db2.gz NBNWSQDLGHNFLA-UHFFFAOYSA-N 0 3 223.392 2.316 10 0 BEAEHN N[C@@H]1c2ccccc2[C@@H]2CCCC[C@@H]2[C@H]1O ZINC000309057675 346959179 /nfs/dbraw/zinc/95/91/79/346959179.db2.gz FJULULWKKOSKMQ-SCUASFONSA-N 0 3 217.312 2.335 10 0 BEAEHN C1CC[C@H](c2[nH]nc3c2CCCC3)NC1 ZINC000107242182 343785784 /nfs/dbraw/zinc/78/57/84/343785784.db2.gz WVKPIHGWEVUJAW-LLVKDONJSA-N 0 3 205.305 2.103 10 0 BEAEHN NCc1c(C2CCC2)nc2ccccn21 ZINC000082638977 537814375 /nfs/dbraw/zinc/81/43/75/537814375.db2.gz MEJJGRBKDQXAOW-UHFFFAOYSA-N 0 3 201.273 2.061 10 0 BEAEHN C[C@H](c1ccncc1)N1CCN2CCCC[C@@H]2C1 ZINC000093952462 537815289 /nfs/dbraw/zinc/81/52/89/537815289.db2.gz MVMIQTZTLIYTRI-UKRRQHHQSA-N 0 3 245.370 2.313 10 0 BEAEHN CCCCN(Cc1ccccc1)C(=O)[C@H](C)N ZINC000409427113 343799968 /nfs/dbraw/zinc/79/99/68/343799968.db2.gz HNBZAHGYUORYRT-LBPRGKRZSA-N 0 3 234.343 2.163 10 0 BEAEHN C[C@H]1C[C@@H](n2cc(CN)nn2)CC(C)(C)C1 ZINC000409424843 343817816 /nfs/dbraw/zinc/81/78/16/343817816.db2.gz YTNQRUFEROSFOQ-GXSJLCMTSA-N 0 3 222.336 2.124 10 0 BEAEHN CN[C@H]1CSCc2ccc(OC)cc21 ZINC000159056030 346995103 /nfs/dbraw/zinc/99/51/03/346995103.db2.gz FODMKEHLBRYTGV-NSHDSACASA-N 0 3 209.314 2.203 10 0 BEAEHN NCc1cc(Cc2ccccc2Cl)ncn1 ZINC000409436690 343839846 /nfs/dbraw/zinc/83/98/46/343839846.db2.gz VJBVOGJTEKLHSW-UHFFFAOYSA-N 0 3 233.702 2.180 10 0 BEAEHN CNCc1cc(-c2ccccn2)nn1C(F)F ZINC000409443102 343865486 /nfs/dbraw/zinc/86/54/86/343865486.db2.gz HAUDQJUQLYCDBD-UHFFFAOYSA-N 0 3 238.241 2.060 10 0 BEAEHN CN1CCC(c2ccc(N)cc2F)CC1 ZINC000075905978 187278593 /nfs/dbraw/zinc/27/85/93/187278593.db2.gz MKBLDBXGYGCCEH-UHFFFAOYSA-N 0 3 208.280 2.217 10 0 BEAEHN CN(c1c(Cl)cccc1CN)C1CC1 ZINC000234259548 343922155 /nfs/dbraw/zinc/92/21/55/343922155.db2.gz WETWIXOMLGTBAZ-UHFFFAOYSA-N 0 3 210.708 2.397 10 0 BEAEHN CNC(=N)Nc1c(F)cccc1Cl ZINC000135251108 343975459 /nfs/dbraw/zinc/97/54/59/343975459.db2.gz VLPBSQAHTZLGRQ-UHFFFAOYSA-N 0 3 201.632 2.045 10 0 BEAEHN CCCN1CCN[C@H](c2ccccc2)C1 ZINC000082926142 362272198 /nfs/dbraw/zinc/27/21/98/362272198.db2.gz BXEHXSDQYIJADL-ZDUSSCGKSA-N 0 3 204.317 2.043 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1N1CC=C(C(F)(F)F)CC1 ZINC000335919690 344087061 /nfs/dbraw/zinc/08/70/61/344087061.db2.gz UEVSTUYBTLCFNQ-WDEREUQCSA-N 0 3 249.276 2.484 10 0 BEAEHN CCN1CCC[C@](O)(c2ccc(F)cc2)C1 ZINC000616577443 344200833 /nfs/dbraw/zinc/20/08/33/344200833.db2.gz XCJXWWRRTKJFFN-CYBMUJFWSA-N 0 3 223.291 2.129 10 0 BEAEHN COc1cc([C@H](F)CN)ccc1Cl ZINC000158078495 344400954 /nfs/dbraw/zinc/40/09/54/344400954.db2.gz PPIDSFKRRCDBKV-MRVPVSSYSA-N 0 3 203.644 2.318 10 0 BEAEHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccsc1 ZINC000143156323 344403004 /nfs/dbraw/zinc/40/30/04/344403004.db2.gz SNDIYIPKTQKBEI-SECBINFHSA-N 0 3 242.344 2.273 10 0 BEAEHN CC(C)Oc1nc(C2CCN(C)CC2)ccc1N ZINC000150316882 344451668 /nfs/dbraw/zinc/45/16/68/344451668.db2.gz UEFXWQOKHBMXDH-UHFFFAOYSA-N 0 3 249.358 2.260 10 0 BEAEHN CCC[C@@H]1N[C@H](C)CC[S@@](=O)[C@@H]1CC ZINC000227557668 344508355 /nfs/dbraw/zinc/50/83/55/344508355.db2.gz QCGOZGXXPYFGFN-FBKDDSFISA-N 0 3 217.378 2.064 10 0 BEAEHN C[C@@](F)(CN)Cc1ccc(F)cc1F ZINC000158247813 344574417 /nfs/dbraw/zinc/57/44/17/344574417.db2.gz DWYUADQISSZOLE-JTQLQIEISA-N 0 3 203.207 2.194 10 0 BEAEHN C[C@@H]1CCCN(CC(=O)C2CCCC2)C1 ZINC000158169153 344558615 /nfs/dbraw/zinc/55/86/15/344558615.db2.gz MFWDHYIZFWCFQE-LLVKDONJSA-N 0 3 209.333 2.478 10 0 BEAEHN CC[C@@]1([C@@H]2CC2(C)C)NCCc2nc[nH]c21 ZINC000400399309 537854580 /nfs/dbraw/zinc/85/45/80/537854580.db2.gz SEAWKWRPRJIUPS-MFKMUULPSA-N 0 3 219.332 2.207 10 0 BEAEHN Nc1nc2c([nH]1)-c1ccc(Cl)cc1C2 ZINC000128051657 344725503 /nfs/dbraw/zinc/72/55/03/344725503.db2.gz KUGGOTVAFBWZDH-UHFFFAOYSA-N 0 3 205.648 2.217 10 0 BEAEHN CCC[C@H](C(=O)N1CCC[C@H](CC)C1)N(C)C ZINC000161543293 323076112 /nfs/dbraw/zinc/07/61/12/323076112.db2.gz NUXBVOFGWWVYDR-QWHCGFSZSA-N 0 3 240.391 2.365 10 0 BEAEHN Oc1ccc2c(c1)CN(C1CCC1)CC2 ZINC000221517126 344751949 /nfs/dbraw/zinc/75/19/49/344751949.db2.gz HTCAUWQDCCVNQB-UHFFFAOYSA-N 0 3 203.285 2.303 10 0 BEAEHN CN[C@H](c1cnns1)C1CCCCC1 ZINC000158662038 344712110 /nfs/dbraw/zinc/71/21/10/344712110.db2.gz MNVPRBDDTVXRAC-JTQLQIEISA-N 0 3 211.334 2.379 10 0 BEAEHN C[C@@H](CNCc1ccccc1)n1cccn1 ZINC000235142464 344819200 /nfs/dbraw/zinc/81/92/00/344819200.db2.gz XWTXDMZTLQVUKJ-LBPRGKRZSA-N 0 3 215.300 2.234 10 0 BEAEHN CC(C)C[C@H](N)c1nc2cccnc2[nH]1 ZINC000044264183 187293376 /nfs/dbraw/zinc/29/33/76/187293376.db2.gz FJBACVQNYKLTFM-QMMMGPOBSA-N 0 3 204.277 2.004 10 0 BEAEHN Cc1cc(C)n(C[C@H](N)c2cccs2)n1 ZINC000011850013 345033598 /nfs/dbraw/zinc/03/35/98/345033598.db2.gz MAYLWFBONQSHDV-JTQLQIEISA-N 0 3 221.329 2.261 10 0 BEAEHN CC(=O)Nc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000011848995 345034121 /nfs/dbraw/zinc/03/41/21/345034121.db2.gz ZWTJPCCFUNGMQI-LLVKDONJSA-N 0 3 234.299 2.206 10 0 BEAEHN C[C@H]1CC[C@@]2(CO1)NCCc1sccc12 ZINC000401665799 537886844 /nfs/dbraw/zinc/88/68/44/537886844.db2.gz OCIRUKWMWJAWCS-CABZTGNLSA-N 0 3 223.341 2.288 10 0 BEAEHN Cc1ccc(Oc2ccnc(CN)c2)cn1 ZINC000051521926 178822036 /nfs/dbraw/zinc/82/20/36/178822036.db2.gz LGZPVCGVMBAFCG-UHFFFAOYSA-N 0 3 215.256 2.036 10 0 BEAEHN C[C@H](N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000011958142 345089432 /nfs/dbraw/zinc/08/94/32/345089432.db2.gz WYFYOSYEETWHQE-YFKPBYRVSA-N 0 3 233.098 2.279 10 0 BEAEHN NCc1c(Cl)cncc1OC(F)(F)F ZINC000238603347 345089632 /nfs/dbraw/zinc/08/96/32/345089632.db2.gz VTQNYQYLIGMELF-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN NCc1cc(OC(F)(F)F)ncc1Cl ZINC000238675717 345106710 /nfs/dbraw/zinc/10/67/10/345106710.db2.gz BIFZEJFKZYWMBX-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN [NH3+][C@H](CF)c1ccc([O-])c(Br)c1 ZINC000238685056 345109417 /nfs/dbraw/zinc/10/94/17/345109417.db2.gz OFRAKNLIUVABPQ-SSDOTTSWSA-N 0 3 234.068 2.124 10 0 BEAEHN c1nc2c([nH]1)[C@H](C1CCCCC1)NCC2 ZINC000071478808 537894253 /nfs/dbraw/zinc/89/42/53/537894253.db2.gz QYCAPCVZIYWAAR-NSHDSACASA-N 0 3 205.305 2.177 10 0 BEAEHN CC(=O)CCN1CC[C@@H](Nc2ccccc2)C1 ZINC000103481101 187302288 /nfs/dbraw/zinc/30/22/88/187302288.db2.gz AFVCEHAAUBMBJE-CQSZACIVSA-N 0 3 232.327 2.152 10 0 BEAEHN CCC(C)(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000159118533 345410643 /nfs/dbraw/zinc/41/06/43/345410643.db2.gz ICFHSGDYSTXLDW-RYUDHWBXSA-N 0 3 240.391 2.268 10 0 BEAEHN CC1CCC(NC(=O)[C@]2(C)CCCCN2)CC1 ZINC000136136729 345479905 /nfs/dbraw/zinc/47/99/05/345479905.db2.gz RCIPVUIXGYMZHN-YIZWMMSDSA-N 0 3 238.375 2.214 10 0 BEAEHN Cc1ccc([C@H](C)NCC(=O)NC2CC2)cc1C ZINC000036782347 178887654 /nfs/dbraw/zinc/88/76/54/178887654.db2.gz GIZMVZZTWPMCIP-LBPRGKRZSA-N 0 3 246.354 2.233 10 0 BEAEHN Cc1ccc2c(cc(F)cc2N2CCNCC2)n1 ZINC000113820157 345755153 /nfs/dbraw/zinc/75/51/53/345755153.db2.gz SUMCLKYERGMWOE-UHFFFAOYSA-N 0 3 245.301 2.092 10 0 BEAEHN NCc1ncccc1COCc1ccccc1 ZINC000061657170 345802482 /nfs/dbraw/zinc/80/24/82/345802482.db2.gz MYXHTRUSSWAQBO-UHFFFAOYSA-N 0 3 228.295 2.257 10 0 BEAEHN CCOC(=O)C(C)(C)[C@H](N)c1ccccc1F ZINC000142142192 345856595 /nfs/dbraw/zinc/85/65/95/345856595.db2.gz SUGMUMZTIYEMGM-LLVKDONJSA-N 0 3 239.290 2.415 10 0 BEAEHN CC(C)[C@H]1CN(c2nc3ccccc3o2)CCN1 ZINC000141371769 345860072 /nfs/dbraw/zinc/86/00/72/345860072.db2.gz LYLIZKJRTIKTOG-GFCCVEGCSA-N 0 3 245.326 2.262 10 0 BEAEHN C#CCN[C@H]1CCc2cc3sc(N)nc3cc21 ZINC000034456274 345834171 /nfs/dbraw/zinc/83/41/71/345834171.db2.gz BASKSUQYNYUZRG-JTQLQIEISA-N 0 3 243.335 2.089 10 0 BEAEHN Cc1ccc([C@](C)(NCC(C)C)C(N)=O)cc1C ZINC000037951935 178924728 /nfs/dbraw/zinc/92/47/28/178924728.db2.gz CCNBRCBKWWDAHH-HNNXBMFYSA-N 0 3 248.370 2.250 10 0 BEAEHN COc1ccc(C[C@H]2C=CCCN2C)cc1 ZINC000143415100 345865346 /nfs/dbraw/zinc/86/53/46/345865346.db2.gz LIHKEIFCASSTAF-CYBMUJFWSA-N 0 3 217.312 2.498 10 0 BEAEHN NC1CN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000083634329 345919416 /nfs/dbraw/zinc/91/94/16/345919416.db2.gz SACUPCXFTPXJLZ-UHFFFAOYSA-N 0 3 231.126 2.136 10 0 BEAEHN CNc1cc(N2CCCC[C@H]2C)nc(C)n1 ZINC000087805869 345941237 /nfs/dbraw/zinc/94/12/37/345941237.db2.gz ZKVMCOWSXGSFJV-SECBINFHSA-N 0 3 220.320 2.206 10 0 BEAEHN Fc1cc2c(cc1Br)CNCCO2 ZINC000148426199 346107976 /nfs/dbraw/zinc/10/79/76/346107976.db2.gz ZHQMMXXETNGOJM-UHFFFAOYSA-N 0 3 246.079 2.070 10 0 BEAEHN O=C1CCc2ccccc2N1CCN1CCCC1 ZINC000167636800 346293643 /nfs/dbraw/zinc/29/36/43/346293643.db2.gz IJTCXPVWORMZCQ-UHFFFAOYSA-N 0 3 244.338 2.062 10 0 BEAEHN Cc1cccc(CCNc2nccn2C)c1 ZINC000051670451 179061806 /nfs/dbraw/zinc/06/18/06/179061806.db2.gz ASLCKLIOZDNLQQ-UHFFFAOYSA-N 0 3 215.300 2.383 10 0 BEAEHN CC(=O)N1CCN([C@@H]2CC[C@H](C)C2)C(C)(C)C1 ZINC000336467257 187368558 /nfs/dbraw/zinc/36/85/58/187368558.db2.gz VREXJRVXOAHYHS-WCQYABFASA-N 0 3 238.375 2.118 10 0 BEAEHN Cc1cccc(CNC[C@H]2CCC=CO2)n1 ZINC000051575552 179093747 /nfs/dbraw/zinc/09/37/47/179093747.db2.gz LVARPJJRTVWIPD-CYBMUJFWSA-N 0 3 218.300 2.172 10 0 BEAEHN N[C@@H](CC1OCCO1)c1sccc1Cl ZINC000229963710 346484452 /nfs/dbraw/zinc/48/44/52/346484452.db2.gz LRSYBCGXKFEMLI-ZETCQYMHSA-N 0 3 233.720 2.164 10 0 BEAEHN Cc1cccc(C[C@@H](N)c2cncnc2)c1 ZINC000052887398 179104415 /nfs/dbraw/zinc/10/44/15/179104415.db2.gz DUNMSTKOMOUJJI-CYBMUJFWSA-N 0 3 213.284 2.028 10 0 BEAEHN Cc1cccc(C[C@@H](N)c2cnccn2)c1 ZINC000037467133 179104681 /nfs/dbraw/zinc/10/46/81/179104681.db2.gz GLNFUIWFLWWHPY-GFCCVEGCSA-N 0 3 213.284 2.028 10 0 BEAEHN C[C@H]1CN(C)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000199779763 346589758 /nfs/dbraw/zinc/58/97/58/346589758.db2.gz WFNALLOMRMDNSP-GXFFZTMASA-N 0 3 239.746 2.499 10 0 BEAEHN COC[C@@H](N)c1csc(Br)c1 ZINC000164308257 346599704 /nfs/dbraw/zinc/59/97/04/346599704.db2.gz QHCFEHKUEPZUKG-ZCFIWIBFSA-N 0 3 236.134 2.157 10 0 BEAEHN CCNc1cccc(Br)c1CN ZINC000164949374 346634454 /nfs/dbraw/zinc/63/44/54/346634454.db2.gz HAMZKPKFTMBUPY-UHFFFAOYSA-N 0 3 229.121 2.340 10 0 BEAEHN Cc1cccc(NC(=O)[C@@](C)(N)C2CC2)c1 ZINC000037478833 179140002 /nfs/dbraw/zinc/14/00/02/179140002.db2.gz NIGPXTSKVFLEBM-ZDUSSCGKSA-N 0 3 218.300 2.061 10 0 BEAEHN Cc1nc(CNCC2CC2)c2n1CCCC2 ZINC000378397162 346792283 /nfs/dbraw/zinc/79/22/83/346792283.db2.gz PJUIMNFBDLMOJX-UHFFFAOYSA-N 0 3 219.332 2.027 10 0 BEAEHN Cc1cccc([C@@H]2CNCC(C)(C)O2)c1 ZINC000011803102 179190465 /nfs/dbraw/zinc/19/04/65/179190465.db2.gz REDMGMUYIPRGCU-LBPRGKRZSA-N 0 3 205.301 2.435 10 0 BEAEHN CN[C@H](C)c1ccc(O)cc1Br ZINC000221827442 347232777 /nfs/dbraw/zinc/23/27/77/347232777.db2.gz KBWPQWFFMOWRGB-ZCFIWIBFSA-N 0 3 230.105 2.435 10 0 BEAEHN O=C1CCC[C@@]2(C1)NCCc1ccsc12 ZINC000725242900 537987923 /nfs/dbraw/zinc/98/79/23/537987923.db2.gz VPNAONJKRBXQBL-LBPRGKRZSA-N 0 3 221.325 2.232 10 0 BEAEHN CCCCOC[C@H](O)CN1CC(CC)(CC)C1 ZINC000310473063 347288721 /nfs/dbraw/zinc/28/87/21/347288721.db2.gz JFEMJHOJPQTYJR-CYBMUJFWSA-N 0 3 243.391 2.286 10 0 BEAEHN CC[C@@H](NC[C@](C)(O)CC)c1nccs1 ZINC000119381342 347290023 /nfs/dbraw/zinc/29/00/23/347290023.db2.gz SRHJCFDFXIBYGV-MWLCHTKSSA-N 0 3 228.361 2.345 10 0 BEAEHN Fc1cccc(CNC2=NCCS2)c1 ZINC000013858467 362811987 /nfs/dbraw/zinc/81/19/87/362811987.db2.gz RUGKQXUKIAVTSN-UHFFFAOYSA-N 0 3 210.277 2.018 10 0 BEAEHN CCCCC[C@]1(C)NCCc2ncn(C)c21 ZINC000725242837 537989119 /nfs/dbraw/zinc/98/91/19/537989119.db2.gz XKMVULVRJWLYKK-ZDUSSCGKSA-N 0 3 221.348 2.361 10 0 BEAEHN C[C@@]1(CN2CCN3CCC[C@H]3C2)CCCS1 ZINC000250789663 362820543 /nfs/dbraw/zinc/82/05/43/362820543.db2.gz IBSDPYGDUNCBNZ-STQMWFEESA-N 0 3 240.416 2.052 10 0 BEAEHN Cc1ccccc1N(C)C(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000049990846 179294194 /nfs/dbraw/zinc/29/41/94/179294194.db2.gz IPFPHYLYXMKAIA-OLZOCXBDSA-N 0 3 246.354 2.488 10 0 BEAEHN Cc1ccccc1[C@@H](N)Cn1cccc(C)c1=O ZINC000062985914 179324394 /nfs/dbraw/zinc/32/43/94/179324394.db2.gz CLOPZNMMPCUIHW-AWEZNQCLSA-N 0 3 242.322 2.165 10 0 BEAEHN Cc1ccccc1[C@H](N)COC[C@H]1CCOC1 ZINC000049689340 179343537 /nfs/dbraw/zinc/34/35/37/179343537.db2.gz PVUBOTCSJIWUGB-GXTWGEPZSA-N 0 3 235.327 2.048 10 0 BEAEHN Cc1ccccc1[C@](C)(NC1CCCC1)C(N)=O ZINC000037969539 179350310 /nfs/dbraw/zinc/35/03/10/179350310.db2.gz METRCDRZQPGONV-HNNXBMFYSA-N 0 3 246.354 2.228 10 0 BEAEHN C[C@H]1CN([C@H]2CCCC2(C)C)CCC1=O ZINC000251792780 362921437 /nfs/dbraw/zinc/92/14/37/362921437.db2.gz NNOCYVCTNKPCRO-JQWIXIFHSA-N 0 3 209.333 2.476 10 0 BEAEHN Cc1ccoc1CNC[C@H](O)C(C)(C)C ZINC000164562097 179527206 /nfs/dbraw/zinc/52/72/06/179527206.db2.gz AZGWYSCYKGHOOW-NSHDSACASA-N 0 3 211.305 2.085 10 0 BEAEHN CC(=O)Nc1ccc(C(=O)[C@@H](C)CN(C)C)cc1 ZINC000198480975 348741030 /nfs/dbraw/zinc/74/10/30/348741030.db2.gz UQYHQZCJEOICST-JTQLQIEISA-N 0 3 248.326 2.025 10 0 BEAEHN CC(C)c1cccc2c1NC[C@@]21C[C@H]1N ZINC000725247786 538013615 /nfs/dbraw/zinc/01/36/15/538013615.db2.gz YBIFVVKPINJEDY-YPMHNXCESA-N 0 3 202.301 2.204 10 0 BEAEHN Cc1c2c(ccc1Cl)[C@@]1(C[C@H]1N)CN2 ZINC000725247086 538012342 /nfs/dbraw/zinc/01/23/42/538012342.db2.gz GUUNLCLDKACBFW-MWLCHTKSSA-N 0 3 208.692 2.043 10 0 BEAEHN CC(C)c1cccc2c1NC[C@]21C[C@@H]1N ZINC000725247785 538012772 /nfs/dbraw/zinc/01/27/72/538012772.db2.gz YBIFVVKPINJEDY-WCQYABFASA-N 0 3 202.301 2.204 10 0 BEAEHN FCC[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000308881628 349017918 /nfs/dbraw/zinc/01/79/18/349017918.db2.gz QNCJLYODXVEFJF-ONGXEEELSA-N 0 3 211.284 2.028 10 0 BEAEHN CCOc1ccc(OC(F)(F)F)c(CN)c1 ZINC000616579892 349208901 /nfs/dbraw/zinc/20/89/01/349208901.db2.gz KCTRSLWTYDCTFD-UHFFFAOYSA-N 0 3 235.205 2.443 10 0 BEAEHN CCOc1cccc(CN)c1OC(F)(F)F ZINC000616580117 349244863 /nfs/dbraw/zinc/24/48/63/349244863.db2.gz MOQRMIPWYAOOQT-UHFFFAOYSA-N 0 3 235.205 2.443 10 0 BEAEHN Cc1ccc([C@H](N)c2cccs2)cn1 ZINC000062949790 349270084 /nfs/dbraw/zinc/27/00/84/349270084.db2.gz RBRKHLJEBCCDGF-NSHDSACASA-N 0 3 204.298 2.500 10 0 BEAEHN COc1cc([C@@H](C)NCC(C)(C)O)ccc1F ZINC000131514318 191014794 /nfs/dbraw/zinc/01/47/94/191014794.db2.gz MZPCXFRAGTYFBJ-SECBINFHSA-N 0 3 241.306 2.256 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NC[C@@H]1CCC=CO1 ZINC000070528344 191003922 /nfs/dbraw/zinc/00/39/22/191003922.db2.gz PQBZICJNCKEXGM-WCQYABFASA-N 0 3 231.295 2.402 10 0 BEAEHN CC(=O)c1ccc2[nH]cc(CCN(C)C)c2c1 ZINC000001854853 350082264 /nfs/dbraw/zinc/08/22/64/350082264.db2.gz LMCPLRMTEPSADY-UHFFFAOYSA-N 0 3 230.311 2.475 10 0 BEAEHN Cc1nc([C@@H](N)C2CCOCC2)sc1C ZINC000052179398 180039630 /nfs/dbraw/zinc/03/96/30/180039630.db2.gz QPRHSEKSNBJLPH-JTQLQIEISA-N 0 3 226.345 2.186 10 0 BEAEHN Cc1nc([C@@]2(N)CCN(C(C)C)C2)sc1C ZINC000045659868 180047199 /nfs/dbraw/zinc/04/71/99/180047199.db2.gz NNCALWCDHILDLN-GFCCVEGCSA-N 0 3 239.388 2.028 10 0 BEAEHN Cc1nc([C@H](C)N[C@H]2CN(C)C[C@@H]2C)cs1 ZINC000336731347 180051921 /nfs/dbraw/zinc/05/19/21/180051921.db2.gz FFYBSETZPDNCPO-QXEWZRGKSA-N 0 3 239.388 2.052 10 0 BEAEHN Cc1nc([C@H](N)Cc2ccco2)cs1 ZINC000082376877 180053236 /nfs/dbraw/zinc/05/32/36/180053236.db2.gz SMIQQQQLOSYFLD-SECBINFHSA-N 0 3 208.286 2.287 10 0 BEAEHN C[C@@H](CCNCc1cccc(F)c1)[S@@](C)=O ZINC000132595399 191034694 /nfs/dbraw/zinc/03/46/94/191034694.db2.gz BUOQMFWGIQCNEF-QFYYESIMSA-N 0 3 243.347 2.072 10 0 BEAEHN Cc1nccn1Cc1cc(CNC(C)C)co1 ZINC000052576139 180269085 /nfs/dbraw/zinc/26/90/85/180269085.db2.gz RZBFVWFYRNXLCJ-UHFFFAOYSA-N 0 3 233.315 2.331 10 0 BEAEHN Cc1ncn([C@@H]2Cc3ccccc3[C@@H]2N)c1C ZINC000051926449 180289276 /nfs/dbraw/zinc/28/92/76/180289276.db2.gz LDMPNTXERQRTJD-KGLIPLIRSA-N 0 3 227.311 2.297 10 0 BEAEHN Cc1ncsc1[C@H](C)N[C@@H]1CCCN(C)C1 ZINC000040673142 180326310 /nfs/dbraw/zinc/32/63/10/180326310.db2.gz JUSQGPZGJHZGCV-WDEREUQCSA-N 0 3 239.388 2.196 10 0 BEAEHN Cc1ncsc1CNC[C@H]1CCCC[C@H]1O ZINC000084149464 180322589 /nfs/dbraw/zinc/32/25/89/180322589.db2.gz XOYFJEWFFRJYLD-GHMZBOCLSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1nn(C)c(O[C@@H]2CCC[C@H](C)C2)c1CN ZINC000020517790 180360430 /nfs/dbraw/zinc/36/04/30/180360430.db2.gz HCRMRFJNACOVEC-GXSJLCMTSA-N 0 3 237.347 2.145 10 0 BEAEHN CCOP(=O)(OCC)[C@@](C)(N)CC ZINC000034129885 350463736 /nfs/dbraw/zinc/46/37/36/350463736.db2.gz IWOZRWIRMMVBED-MRVPVSSYSA-N 0 3 209.226 2.337 10 0 BEAEHN CN1CCO[C@H](c2cccc3nnccc32)CC1 ZINC000616592786 350469461 /nfs/dbraw/zinc/46/94/61/350469461.db2.gz GAHNTHYPGQUFND-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN NCc1cc(CC2CCCCC2)ncn1 ZINC000409436565 350479512 /nfs/dbraw/zinc/47/95/12/350479512.db2.gz JGROFEXHLALVCA-UHFFFAOYSA-N 0 3 205.305 2.058 10 0 BEAEHN Cc1nnc(C2(N)CCCCC2)n1C(C)C ZINC000042030625 180399376 /nfs/dbraw/zinc/39/93/76/180399376.db2.gz AIHIMJKIGRALDZ-UHFFFAOYSA-N 0 3 222.336 2.286 10 0 BEAEHN CNc1ccc([C@H]2CCN(C)CCO2)cc1 ZINC000616593987 350584294 /nfs/dbraw/zinc/58/42/94/350584294.db2.gz NJPUBIGUJTVZAU-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ccno2)CC1 ZINC000616595011 350597650 /nfs/dbraw/zinc/59/76/50/350597650.db2.gz JCZQZBGRELVKML-SNVBAGLBSA-N 0 3 224.304 2.237 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2cnoc2)CC1 ZINC000616596524 350635061 /nfs/dbraw/zinc/63/50/61/350635061.db2.gz YVUSEKNADTVULX-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN CN1CCOC[C@@H](c2cncc3ccccc32)C1 ZINC000616596742 350636220 /nfs/dbraw/zinc/63/62/20/350636220.db2.gz AJPDTGPDHFQDKZ-ZDUSSCGKSA-N 0 3 242.322 2.280 10 0 BEAEHN CCCN1C[C@@H]2CCCCN2C[C@H]1CC ZINC000252693095 538098735 /nfs/dbraw/zinc/09/87/35/538098735.db2.gz GTNHXGFCZYSWGZ-OLZOCXBDSA-N 0 3 210.365 2.345 10 0 BEAEHN CN1CCCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616598522 350675666 /nfs/dbraw/zinc/67/56/66/350675666.db2.gz CYQVSYKJMXSFSH-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)N1CCOCC[C@H]1c1cccnc1 ZINC000616598888 350688586 /nfs/dbraw/zinc/68/85/86/350688586.db2.gz UORMRAJELLFIQR-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)N1CCOCC[C@@H]1c1ccc(CO)cc1 ZINC000616598935 350695283 /nfs/dbraw/zinc/69/52/83/350695283.db2.gz LWSRFQAQQVJMMS-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)N1CCCOC[C@@H]1c1cccnc1 ZINC000616599969 350777548 /nfs/dbraw/zinc/77/75/48/350777548.db2.gz UGIPOKKKINVMIV-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CCN1CCN[C@@H](c2cccc3cnccc32)C1 ZINC000616602157 350790959 /nfs/dbraw/zinc/79/09/59/350790959.db2.gz XWMBMCKUESUUEI-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)(C)N1CCC[C@@H]1c1ccncn1 ZINC000616606840 350799338 /nfs/dbraw/zinc/79/93/38/350799338.db2.gz GOTASTQYHCLASQ-LLVKDONJSA-N 0 3 205.305 2.412 10 0 BEAEHN OCCN1CCC[C@H]1c1cnc2ccccc2c1 ZINC000616607536 350800881 /nfs/dbraw/zinc/80/08/81/350800881.db2.gz JSZACKNWBLKKTQ-HNNXBMFYSA-N 0 3 242.322 2.364 10 0 BEAEHN CCN1CCCC[C@@H]1c1ccnc(N)c1 ZINC000616614911 350842188 /nfs/dbraw/zinc/84/21/88/350842188.db2.gz ZBGXYFALMBJSDQ-LLVKDONJSA-N 0 3 205.305 2.041 10 0 BEAEHN CC(C)(C)[C@H](N)c1ncncc1Br ZINC000306703836 350852167 /nfs/dbraw/zinc/85/21/67/350852167.db2.gz BQZQXLLOOZQWNM-MRVPVSSYSA-N 0 3 244.136 2.285 10 0 BEAEHN CN1CCC[C@@H](c2cccc3ccnnc32)C1 ZINC000616617154 350862327 /nfs/dbraw/zinc/86/23/27/350862327.db2.gz KBOXRSKTXVZUNZ-GFCCVEGCSA-N 0 3 227.311 2.439 10 0 BEAEHN CCON[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000306727934 350898823 /nfs/dbraw/zinc/89/88/23/350898823.db2.gz MZEFPICFRQAWPS-TZMCWYRMSA-N 0 3 234.343 2.191 10 0 BEAEHN Cc1cc([C@@H](N)[C@@H]2CCSC2)sn1 ZINC000306769232 351002014 /nfs/dbraw/zinc/00/20/14/351002014.db2.gz ATTZLICAFWHDIB-APPZFPTMSA-N 0 3 214.359 2.204 10 0 BEAEHN c1nnoc1C1CCN(Cc2ccccc2)CC1 ZINC000616620754 350945314 /nfs/dbraw/zinc/94/53/14/350945314.db2.gz HPJCLSDMRCRRCB-UHFFFAOYSA-N 0 3 243.310 2.449 10 0 BEAEHN Cc1cc(Br)cc2c1OC[C@H]2N ZINC000063061403 350949057 /nfs/dbraw/zinc/94/90/57/350949057.db2.gz PBWUFDLPDBDAJQ-MRVPVSSYSA-N 0 3 228.089 2.150 10 0 BEAEHN CSC1(CNC2=N[C@H](C)[C@@H](C)S2)CC1 ZINC000306781103 351025803 /nfs/dbraw/zinc/02/58/03/351025803.db2.gz BOXGZPUPFOWGAP-HTQZYQBOSA-N 0 3 230.402 2.351 10 0 BEAEHN c1onnc1C1CCN(Cc2ccccc2)CC1 ZINC000616621403 351036187 /nfs/dbraw/zinc/03/61/87/351036187.db2.gz QTIHTMBXJPYNHF-UHFFFAOYSA-N 0 3 243.310 2.449 10 0 BEAEHN C[C@@H]1CS[C@@H]([C@]2(C)CCCS2)N1 ZINC000306803204 351057736 /nfs/dbraw/zinc/05/77/36/351057736.db2.gz VODGZUGGMAZVDB-VGMNWLOBSA-N 0 3 203.376 2.323 10 0 BEAEHN Cc1cnc(Cl)cc1O[C@@H]1CCN(C)C1 ZINC000306808011 351060686 /nfs/dbraw/zinc/06/06/86/351060686.db2.gz NUOKTURGQJQCBV-SECBINFHSA-N 0 3 226.707 2.126 10 0 BEAEHN CN(C(=O)OC(C)(C)C)[C@H]1CCCCN(C)C1 ZINC000616627163 351107965 /nfs/dbraw/zinc/10/79/65/351107965.db2.gz CFQKCZREOAQUPJ-NSHDSACASA-N 0 3 242.363 2.338 10 0 BEAEHN CCN1CCN[C@H](c2cccc3cccnc32)C1 ZINC000616632505 351112875 /nfs/dbraw/zinc/11/28/75/351112875.db2.gz KDOSDQRAVGLDAS-AWEZNQCLSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@H](c2cnc3ccccc3c2)C1 ZINC000616632980 351113423 /nfs/dbraw/zinc/11/34/23/351113423.db2.gz TZINNAOTMSKVRM-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN OCCN1CCC[C@H]1c1cncc2ccccc21 ZINC000616634547 351116983 /nfs/dbraw/zinc/11/69/83/351116983.db2.gz SSRXEYUQXZVBRH-HNNXBMFYSA-N 0 3 242.322 2.364 10 0 BEAEHN N[C@@H](c1cscn1)C1CC(F)(F)C1 ZINC000306846598 351158430 /nfs/dbraw/zinc/15/84/30/351158430.db2.gz KESOVWXFPMLISE-SSDOTTSWSA-N 0 3 204.245 2.188 10 0 BEAEHN CC(C)N1CCCOC[C@H]1c1ccc(CO)cc1 ZINC000616646084 351169806 /nfs/dbraw/zinc/16/98/06/351169806.db2.gz SOLQGVHMZDIMSC-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CCN1CCCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616653488 351193591 /nfs/dbraw/zinc/19/35/91/351193591.db2.gz QGGINHVMWJYFMF-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CCN1CCCO[C@H](c2ccccc2CCO)C1 ZINC000616650309 351173207 /nfs/dbraw/zinc/17/32/07/351173207.db2.gz WKGXJZWMJYJHIX-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ccncn2)C1 ZINC000616649387 351177723 /nfs/dbraw/zinc/17/77/23/351177723.db2.gz HIJGPLJLOICJFK-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)N1CCCO[C@H](c2cccnc2)C1 ZINC000616649437 351178609 /nfs/dbraw/zinc/17/86/09/351178609.db2.gz JOYNYOOFFOUINE-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CCN1CCCO[C@@H](c2cccc(OC)c2)C1 ZINC000616652610 351186330 /nfs/dbraw/zinc/18/63/30/351186330.db2.gz HLFVBTCTBNTSKO-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2ccccc2N)C1 ZINC000616651815 351189198 /nfs/dbraw/zinc/18/91/98/351189198.db2.gz AFKAOJYIZOWFPC-CQSZACIVSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2cccc(CO)c2)C1 ZINC000616652292 351190980 /nfs/dbraw/zinc/19/09/80/351190980.db2.gz GBHZZVQJKWFJBZ-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN COc1ccccc1[C@@H]1CNCCN1C(C)(C)C ZINC000616637372 351131898 /nfs/dbraw/zinc/13/18/98/351131898.db2.gz LTPHSJKZYMMHRW-ZDUSSCGKSA-N 0 3 248.370 2.440 10 0 BEAEHN CC1(C)CSC(NCCC(F)(F)F)=N1 ZINC000063100805 351140719 /nfs/dbraw/zinc/14/07/19/351140719.db2.gz VSDRXPDUFYOLDJ-UHFFFAOYSA-N 0 3 226.267 2.410 10 0 BEAEHN CC(C)N1CCO[C@H](c2ccccn2)CC1 ZINC000616686461 351256656 /nfs/dbraw/zinc/25/66/56/351256656.db2.gz LBARIZRYEBILJV-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)N1CCO[C@H](c2ccccc2CO)CC1 ZINC000616686400 351256726 /nfs/dbraw/zinc/25/67/26/351256726.db2.gz JMSRDTRKDPCQNN-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)(C)N1CCO[C@H](C(F)F)CC1 ZINC000616686930 351257812 /nfs/dbraw/zinc/25/78/12/351257812.db2.gz LSAKEWATFRZHDZ-QMMMGPOBSA-N 0 3 207.264 2.141 10 0 BEAEHN CC(C)N1CCOCC[C@H]1c1ccccn1 ZINC000616655853 351201551 /nfs/dbraw/zinc/20/15/51/351201551.db2.gz FZYWDWBYAYWJDE-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CN1CCOC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616659752 351208149 /nfs/dbraw/zinc/20/81/49/351208149.db2.gz FCXDGOPOGJYTLG-HNNXBMFYSA-N 0 3 242.322 2.280 10 0 BEAEHN CCN1CCOC[C@@H](c2ccc(F)cc2)C1 ZINC000616661920 351210722 /nfs/dbraw/zinc/21/07/22/351210722.db2.gz VNUPUPSWGHQKCJ-LBPRGKRZSA-N 0 3 223.291 2.261 10 0 BEAEHN c1ccc2cc([C@H]3CCOCCN3)ncc2c1 ZINC000616660758 351213202 /nfs/dbraw/zinc/21/32/02/351213202.db2.gz WVXKQIBMRUJFSI-CYBMUJFWSA-N 0 3 228.295 2.286 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)C2CC2)n1 ZINC000122457793 363022118 /nfs/dbraw/zinc/02/21/18/363022118.db2.gz QYJDDAQSNYKWPT-SECBINFHSA-N 0 3 220.316 2.231 10 0 BEAEHN N#Cc1c(CN)cccc1C(F)(F)F ZINC000168333758 351381288 /nfs/dbraw/zinc/38/12/88/351381288.db2.gz PUEXZMTVAOQEBE-UHFFFAOYSA-N 0 3 200.163 2.036 10 0 BEAEHN C[C@]1([C@H](N)c2ccns2)CCCS1 ZINC000306981185 351401107 /nfs/dbraw/zinc/40/11/07/351401107.db2.gz HLUWDBDYYSRBEN-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN N[C@H](c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000034939668 351355875 /nfs/dbraw/zinc/35/58/75/351355875.db2.gz LHFSWWSCRXMSHM-UONOGXRCSA-N 0 3 217.312 2.354 10 0 BEAEHN Cc1cc(C)cc([C@H](N)c2cnn(C)c2)c1 ZINC000034957650 351363102 /nfs/dbraw/zinc/36/31/02/351363102.db2.gz KCYCGCUHAWAGCN-ZDUSSCGKSA-N 0 3 215.300 2.085 10 0 BEAEHN Cc1ccc([C@H](N)c2cnn(C)c2)cc1C ZINC000034957700 351363142 /nfs/dbraw/zinc/36/31/42/351363142.db2.gz PSFNSNFSUCATNY-ZDUSSCGKSA-N 0 3 215.300 2.085 10 0 BEAEHN NCc1c(F)cc(F)cc1OC(F)F ZINC000307038149 351436221 /nfs/dbraw/zinc/43/62/21/351436221.db2.gz HKPFSAVCGONKRK-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN C[C@@H](N)c1cnc(-c2ccns2)s1 ZINC000404449870 351459081 /nfs/dbraw/zinc/45/90/81/351459081.db2.gz HTGFBJAMOGUQHJ-RXMQYKEDSA-N 0 3 211.315 2.286 10 0 BEAEHN N[C@H](c1cnsc1)[C@@H]1CCCCS1 ZINC000404592658 351593801 /nfs/dbraw/zinc/59/38/01/351593801.db2.gz MIUJBLYJQKYFNB-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN CC[C@@H]1CSC(N[C@@H]2CCS[C@H]2C)=N1 ZINC000307220058 351620997 /nfs/dbraw/zinc/62/09/97/351620997.db2.gz OPQCEAMDAWSCIT-DJLDLDEBSA-N 0 3 230.402 2.351 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000637917302 351792235 /nfs/dbraw/zinc/79/22/35/351792235.db2.gz INEZSNGVEHOVAN-QWHCGFSZSA-N 0 3 248.370 2.479 10 0 BEAEHN Nc1cc(NC2CC2)c(Br)cn1 ZINC000307258495 351799715 /nfs/dbraw/zinc/79/97/15/351799715.db2.gz QIIIZOZRDCCJGF-UHFFFAOYSA-N 0 3 228.093 2.001 10 0 BEAEHN CC(C)Oc1cc(CN)c(Br)cn1 ZINC000307269073 351813630 /nfs/dbraw/zinc/81/36/30/351813630.db2.gz MCXVGIYMCLBZPC-UHFFFAOYSA-N 0 3 245.120 2.090 10 0 BEAEHN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](N)CCC(C)C ZINC000638036170 351916324 /nfs/dbraw/zinc/91/63/24/351916324.db2.gz AWVBUEDZBICPIK-GRYCIOLGSA-N 0 3 226.364 2.055 10 0 BEAEHN C[C@H]1[C@H](Nc2ccnc(C(N)=O)c2)CCC[C@@H]1C ZINC000035673390 187586860 /nfs/dbraw/zinc/58/68/60/187586860.db2.gz RXKDIFBWWFNAHE-HOSYDEDBSA-N 0 3 247.342 2.417 10 0 BEAEHN Cc1cc(C=O)ccc1N(C)[C@@H]1CCCN(C)C1 ZINC000053245789 187612020 /nfs/dbraw/zinc/61/20/20/187612020.db2.gz FJBZKWCMWOQBSR-CQSZACIVSA-N 0 3 246.354 2.338 10 0 BEAEHN C[C@]1([C@@H](N)c2cscn2)CCCS1 ZINC000307367787 352452548 /nfs/dbraw/zinc/45/25/48/352452548.db2.gz MKNCCARNULNNJD-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN C/C=C/CNc1cc(N)ncc1Br ZINC000307387205 352547546 /nfs/dbraw/zinc/54/75/46/352547546.db2.gz MIGXTXJOHMCTHX-NSCUHMNNSA-N 0 3 242.120 2.414 10 0 BEAEHN CCN(C(=O)OC(C)(C)C)[C@H](C)CN(C)C ZINC000232268464 352590728 /nfs/dbraw/zinc/59/07/28/352590728.db2.gz CFSNFROKKAIAQQ-SNVBAGLBSA-N 0 3 230.352 2.194 10 0 BEAEHN Cc1cc([C@H](N)[C@]2(C)C[C@H]2F)sn1 ZINC000307436301 352595801 /nfs/dbraw/zinc/59/58/01/352595801.db2.gz SWOMZABUAJWAIV-HRDYMLBCSA-N 0 3 200.282 2.199 10 0 BEAEHN FC1(F)CC(NC[C@H]2CCC=CO2)C1 ZINC000307474933 352619026 /nfs/dbraw/zinc/61/90/26/352619026.db2.gz AOQHFXLLWPFDBB-SECBINFHSA-N 0 3 203.232 2.066 10 0 BEAEHN NC(=S)c1cnccc1NCc1ccccc1 ZINC000307573930 352658279 /nfs/dbraw/zinc/65/82/79/352658279.db2.gz GONUXBFXONZBDB-UHFFFAOYSA-N 0 3 243.335 2.328 10 0 BEAEHN NCc1cc(OC(F)F)ccc1Cl ZINC000307517146 352632722 /nfs/dbraw/zinc/63/27/22/352632722.db2.gz WXDASIOACVLOML-UHFFFAOYSA-N 0 3 207.607 2.400 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000638756577 352687309 /nfs/dbraw/zinc/68/73/09/352687309.db2.gz OOLFZBAZVPTIEW-GFCCVEGCSA-N 0 3 238.375 2.153 10 0 BEAEHN C[C@@]1(c2nc(CN)cs2)CCCS1 ZINC000307651169 352742922 /nfs/dbraw/zinc/74/29/22/352742922.db2.gz LHNLWPHLKWSFLM-VIFPVBQESA-N 0 3 214.359 2.344 10 0 BEAEHN CC(C)(O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000334237872 352856379 /nfs/dbraw/zinc/85/63/79/352856379.db2.gz SGVAHYBQIQMION-ZDUSSCGKSA-N 0 3 241.375 2.038 10 0 BEAEHN N[C@H](c1ccns1)C1CC(F)(F)C1 ZINC000307691224 352936250 /nfs/dbraw/zinc/93/62/50/352936250.db2.gz ONYWUYDJJFRYRX-ZETCQYMHSA-N 0 3 204.245 2.188 10 0 BEAEHN CCCN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037184406 535191531 /nfs/dbraw/zinc/19/15/31/535191531.db2.gz FBYOCXNKUIXRJY-NSHDSACASA-N 0 3 218.300 2.094 10 0 BEAEHN CC(C)[C@H](N)c1nncn1C1CCCCC1 ZINC000019477103 187934632 /nfs/dbraw/zinc/93/46/32/187934632.db2.gz ZHPBQMARZSSISN-NSHDSACASA-N 0 3 222.336 2.439 10 0 BEAEHN CC(C)N1CCN[C@@H](c2ccccc2)C1 ZINC000034155276 188012961 /nfs/dbraw/zinc/01/29/61/188012961.db2.gz GFQHZHMRYXWCBK-CYBMUJFWSA-N 0 3 204.317 2.041 10 0 BEAEHN CC(C)(N)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000040923328 188042611 /nfs/dbraw/zinc/04/26/11/188042611.db2.gz XBKKAYXECZWFAD-UHFFFAOYSA-N 0 3 244.338 2.040 10 0 BEAEHN C[C@@H](CC1CCC1)NC(=O)[C@]1(C)CCCCN1 ZINC000638995744 353237916 /nfs/dbraw/zinc/23/79/16/353237916.db2.gz FRWBOBFBABGDIU-FZMZJTMJSA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@@H](CC(=O)N1C[C@@H](C)NC[C@@H]1C)C(C)(C)C ZINC000226119187 188253764 /nfs/dbraw/zinc/25/37/64/188253764.db2.gz RDNMQVYIYNJKQW-TUAOUCFPSA-N 0 3 240.391 2.268 10 0 BEAEHN CN(CC1CC1)[C@@H](CN)c1cc(F)ccc1F ZINC000037925153 188289371 /nfs/dbraw/zinc/28/93/71/188289371.db2.gz UPYBNHIAJUMQBU-ZDUSSCGKSA-N 0 3 240.297 2.306 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)[C@H](N)CC[S@@]2=O ZINC000040976359 188292601 /nfs/dbraw/zinc/29/26/01/188292601.db2.gz NMJQOQDXRVDCRT-BDJLRTHQSA-N 0 3 237.368 2.495 10 0 BEAEHN C[C@@H](NC[C@H]1CCCCN1C)c1ccccn1 ZINC000044562055 188296804 /nfs/dbraw/zinc/29/68/04/188296804.db2.gz DQFBLTRVAWEUDJ-CHWSQXEVSA-N 0 3 233.359 2.217 10 0 BEAEHN CN(C)CCOCCCc1ccccc1 ZINC000084651944 188297725 /nfs/dbraw/zinc/29/77/25/188297725.db2.gz DDJTXPIRRXUKAD-UHFFFAOYSA-N 0 3 207.317 2.197 10 0 BEAEHN NCc1cccc(Oc2ccccc2F)n1 ZINC000051546925 188299690 /nfs/dbraw/zinc/29/96/90/188299690.db2.gz URFIUAULZGNLJP-UHFFFAOYSA-N 0 3 218.231 2.472 10 0 BEAEHN CC(C)(C)c1nc(N2CCCC2)sc1CN ZINC000054995137 188300353 /nfs/dbraw/zinc/30/03/53/188300353.db2.gz RUPMUXLGOSSKLL-UHFFFAOYSA-N 0 3 239.388 2.500 10 0 BEAEHN CCCn1cnnc1[C@@H](N)C1CCCCC1 ZINC000054497918 188300941 /nfs/dbraw/zinc/30/09/41/188300941.db2.gz SEIOEBWGTOSVMU-NSHDSACASA-N 0 3 222.336 2.268 10 0 BEAEHN COc1c(CN[C@@H]2CC[C@H](C)C2)c(C)nn1C ZINC000123008897 324073704 /nfs/dbraw/zinc/07/37/04/324073704.db2.gz BCJQELRJHVHDHZ-GXSJLCMTSA-N 0 3 237.347 2.015 10 0 BEAEHN C[C@@H]1C[C@]1(N)c1ncccc1Br ZINC000133346227 353413429 /nfs/dbraw/zinc/41/34/29/353413429.db2.gz DBOVGACUNPMBNY-HZGVNTEJSA-N 0 3 227.105 2.038 10 0 BEAEHN CC(C)(N)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000301028961 363339083 /nfs/dbraw/zinc/33/90/83/363339083.db2.gz UADLGSUMKONUEX-ZETCQYMHSA-N 0 3 205.248 2.118 10 0 BEAEHN C[C@H]1CN(C)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000390255415 354387774 /nfs/dbraw/zinc/38/77/74/354387774.db2.gz WFNALLOMRMDNSP-GWCFXTLKSA-N 0 3 239.746 2.499 10 0 BEAEHN CCC(C)(C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000335202664 355036805 /nfs/dbraw/zinc/03/68/05/355036805.db2.gz ILUWZRMVNJGAIS-NWDGAFQWSA-N 0 3 238.375 2.118 10 0 BEAEHN N=C(N)c1cccc(-c2cc(F)ccc2F)n1 ZINC000071186740 181194963 /nfs/dbraw/zinc/19/49/63/181194963.db2.gz YXOPKWVZNXZIDY-UHFFFAOYSA-N 0 3 233.221 2.311 10 0 BEAEHN CC(C)(C)OC(=O)CCN1C[C@H]2CCC[C@H]21 ZINC000350731494 355751538 /nfs/dbraw/zinc/75/15/38/355751538.db2.gz ATWLDDKCAMWLGD-GHMZBOCLSA-N 0 3 225.332 2.203 10 0 BEAEHN CCOc1ccccc1CN[C@H]1CCN(CC)C1 ZINC000389194671 355835492 /nfs/dbraw/zinc/83/54/92/355835492.db2.gz WRWGZKXXSMNWKH-AWEZNQCLSA-N 0 3 248.370 2.269 10 0 BEAEHN CC(C)c1ccc([C@@H](C)NCCC(N)=O)cc1 ZINC000035133416 355844240 /nfs/dbraw/zinc/84/42/40/355844240.db2.gz BXVVUIPQFSKTLA-LLVKDONJSA-N 0 3 234.343 2.336 10 0 BEAEHN Cc1cn2c(n1)[C@@H](C1CCC1)NCCC2 ZINC000675068716 538496886 /nfs/dbraw/zinc/49/68/86/538496886.db2.gz RXLVJWNDQJFEIF-LLVKDONJSA-N 0 3 205.305 2.026 10 0 BEAEHN CCc1cn2c(n1)[C@H](CCSC)NCCC2 ZINC000675068609 538497048 /nfs/dbraw/zinc/49/70/48/538497048.db2.gz QYRLMFCUPHTLGS-NSHDSACASA-N 0 3 239.388 2.233 10 0 BEAEHN CCc1ccc2nc(OC)c(CN)cc2c1 ZINC000675069054 538497427 /nfs/dbraw/zinc/49/74/27/538497427.db2.gz ATYNYFIBGZNCLP-UHFFFAOYSA-N 0 3 216.284 2.265 10 0 BEAEHN C[C@@H](NC[C@H](O)C(C)(C)C)c1ccco1 ZINC000167641335 134153447 /nfs/dbraw/zinc/15/34/47/134153447.db2.gz DJFZDJKVLQHAFH-KOLCDFICSA-N 0 3 211.305 2.337 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)C1CC1 ZINC000167855056 134154370 /nfs/dbraw/zinc/15/43/70/134154370.db2.gz XRKJTIYSTMVKOQ-MWLCHTKSSA-N 0 3 234.347 2.064 10 0 BEAEHN Cc1cc(-c2cnn3c2CNCC3)cnc1Cl ZINC000675077042 538512118 /nfs/dbraw/zinc/51/21/18/538512118.db2.gz WPFOXXQGCBXYRM-UHFFFAOYSA-N 0 3 248.717 2.010 10 0 BEAEHN CN[C@@H](C1=CCCO1)[C@H]1CCCCS1 ZINC000168246480 356697870 /nfs/dbraw/zinc/69/78/70/356697870.db2.gz UPACIEAOYXDUSL-MNOVXSKESA-N 0 3 213.346 2.164 10 0 BEAEHN C[C@H]1Oc2c(c(F)ccc2Br)[C@@H]1N ZINC000160407760 356705987 /nfs/dbraw/zinc/70/59/87/356705987.db2.gz YUBQFJXFSKVORU-SPGJFGJESA-N 0 3 246.079 2.369 10 0 BEAEHN CN[C@@H](Cc1ccc(F)cc1)c1ncc[nH]1 ZINC000087341247 538567177 /nfs/dbraw/zinc/56/71/77/538567177.db2.gz VHRJUONIMNFSSW-NSHDSACASA-N 0 3 219.263 2.052 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2ccncc2Cl)C1 ZINC000623374093 356886516 /nfs/dbraw/zinc/88/65/16/356886516.db2.gz VTLOCKWHJPCFRZ-WDEREUQCSA-N 0 3 240.734 2.128 10 0 BEAEHN CCCn1cc(CN[C@@H](C)CSC)cn1 ZINC000130698280 325080784 /nfs/dbraw/zinc/08/07/84/325080784.db2.gz YZWJODLHRCRNIY-JTQLQIEISA-N 0 3 227.377 2.134 10 0 BEAEHN CCC[C@@H]1C[C@H]1NC[C@](C)(O)C(F)(F)F ZINC000389716466 357018718 /nfs/dbraw/zinc/01/87/18/357018718.db2.gz OBEDAFRXRJZCMO-HLTSFMKQSA-N 0 3 225.254 2.078 10 0 BEAEHN CCC(CC)(CC)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188680568 357571452 /nfs/dbraw/zinc/57/14/52/357571452.db2.gz NGMCQDFLVIURSK-WDEREUQCSA-N 0 3 244.354 2.019 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCC1CC1 ZINC000085697070 357554477 /nfs/dbraw/zinc/55/44/77/357554477.db2.gz XCMAOHZLRWTTCU-GXTWGEPZSA-N 0 3 222.376 2.345 10 0 BEAEHN CC[C@@H](C)CC(=O)N(C)C[C@@H]1CCCN1CC ZINC000188705345 357565355 /nfs/dbraw/zinc/56/53/55/357565355.db2.gz GIVIFJVZDPMCTR-OLZOCXBDSA-N 0 3 240.391 2.365 10 0 BEAEHN CC(C)[C@H](C)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245777000 538880825 /nfs/dbraw/zinc/88/08/25/538880825.db2.gz ZGTQTAXVUDQSQL-QNWHQSFQSA-N 0 3 240.391 2.408 10 0 BEAEHN C[C@H]1CN(C[C@H](O)C2CCCCC2)CCS1 ZINC000190515574 357714164 /nfs/dbraw/zinc/71/41/64/357714164.db2.gz YMTPEICVMZBCRA-AAEUAGOBSA-N 0 3 243.416 2.365 10 0 BEAEHN c1cc(C2CCN(C[C@@H]3CCC=CO3)CC2)n[nH]1 ZINC000191072930 357746968 /nfs/dbraw/zinc/74/69/68/357746968.db2.gz JTYIDBAHNKRZJF-ZDUSSCGKSA-N 0 3 247.342 2.282 10 0 BEAEHN C[C@@H](O)CN1CC=C(c2cccs2)CC1 ZINC000192983594 357863520 /nfs/dbraw/zinc/86/35/20/357863520.db2.gz WBLLSCMULGBWFS-SNVBAGLBSA-N 0 3 223.341 2.218 10 0 BEAEHN CCC[C@@H](C(=O)NCC1(CC)CC1)N(C)C ZINC000133770567 325317841 /nfs/dbraw/zinc/31/78/41/325317841.db2.gz ALKIFWVMWREQMO-NSHDSACASA-N 0 3 226.364 2.023 10 0 BEAEHN FC(F)(F)CN1CCC[C@H]1CN1CCCC1 ZINC000171744704 134260683 /nfs/dbraw/zinc/26/06/83/134260683.db2.gz LOTNCDWCTPMALC-JTQLQIEISA-N 0 3 236.281 2.109 10 0 BEAEHN Cc1ccc(C)c2c1OC[C@@H](CN(C)C)O2 ZINC000584614975 358279646 /nfs/dbraw/zinc/27/96/46/358279646.db2.gz CMHLFKSYXMHTLB-LLVKDONJSA-N 0 3 221.300 2.005 10 0 BEAEHN CCN(CC)CCNN[C@H](C)Cc1ccccc1 ZINC000584601599 358258857 /nfs/dbraw/zinc/25/88/57/358258857.db2.gz BYNHWBJKZGUEPZ-CQSZACIVSA-N 0 3 249.402 2.054 10 0 BEAEHN NCc1ccc(-c2ccc3[nH]c(=O)oc3c2)cn1 ZINC000584621481 358288780 /nfs/dbraw/zinc/28/87/80/358288780.db2.gz NVDSFUQGJZMCNP-UHFFFAOYSA-N 0 3 241.250 2.054 10 0 BEAEHN CN1CCC[C@@H]([C@@H](O)c2ccccc2)C1 ZINC000584631653 358314034 /nfs/dbraw/zinc/31/40/34/358314034.db2.gz ICUIFJSALYQOQF-OLZOCXBDSA-N 0 3 205.301 2.062 10 0 BEAEHN CO[C@@H]1C[C@@H](N[C@@H](C)c2nccnc2C)C1(C)C ZINC000219177679 134274807 /nfs/dbraw/zinc/27/48/07/134274807.db2.gz PRNCWCBKYODRKM-QJPTWQEYSA-N 0 3 249.358 2.249 10 0 BEAEHN CN(CC1CC1)C[C@H]1NCCc2ccccc21 ZINC000043596109 358383845 /nfs/dbraw/zinc/38/38/45/358383845.db2.gz CXJFQGRGOVCITA-OAHLLOKOSA-N 0 3 230.355 2.215 10 0 BEAEHN CCCCOCCNCc1cnn(CCC)c1 ZINC000116915371 358451707 /nfs/dbraw/zinc/45/17/07/358451707.db2.gz QMNCINLMCHWQNM-UHFFFAOYSA-N 0 3 239.363 2.199 10 0 BEAEHN CC[C@@H]1CCCC[C@@H]1NCc1nccn1C ZINC000042579252 358526760 /nfs/dbraw/zinc/52/67/60/358526760.db2.gz WTWJYJPWGDHOOR-NEPJUHHUSA-N 0 3 221.348 2.479 10 0 BEAEHN CC(C)[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000130873498 358650957 /nfs/dbraw/zinc/65/09/57/358650957.db2.gz GVEROQBXUHZDIB-QWRGUYRKSA-N 0 3 236.363 2.310 10 0 BEAEHN COc1ccc(CNc2nccn2C)cc1OC ZINC000050605908 358734005 /nfs/dbraw/zinc/73/40/05/358734005.db2.gz LEGJUYKFNNPHJN-UHFFFAOYSA-N 0 3 247.298 2.049 10 0 BEAEHN C[C@@H](N[C@@H](C)c1nnc2ccccn21)[C@H]1C[C@H]1C ZINC000321875610 259481021 /nfs/dbraw/zinc/48/10/21/259481021.db2.gz IFNOXDMKDIZDQD-WYUUTHIRSA-N 0 3 244.342 2.424 10 0 BEAEHN CC(=O)CCN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134232257 358783925 /nfs/dbraw/zinc/78/39/25/358783925.db2.gz AOCHWBIBLZWYAM-SWLSCSKDSA-N 0 3 247.338 2.290 10 0 BEAEHN Cc1ccc(CN2CCC[C@@H]2CCCO)o1 ZINC000052762001 358792038 /nfs/dbraw/zinc/79/20/38/358792038.db2.gz KANPKEYORWTELS-GFCCVEGCSA-N 0 3 223.316 2.325 10 0 BEAEHN C[C@@H]1SCC[C@]12N[C@H](C)CCS2 ZINC000300353917 358971466 /nfs/dbraw/zinc/97/14/66/358971466.db2.gz ZOCHYJOOHQLBNQ-HRDYMLBCSA-N 0 3 203.376 2.323 10 0 BEAEHN CCCN1CC[C@](O)(c2ccsc2)C1 ZINC000306158138 358952967 /nfs/dbraw/zinc/95/29/67/358952967.db2.gz DIEXEKFXWVOYSN-LLVKDONJSA-N 0 3 211.330 2.051 10 0 BEAEHN C[C@@H]1CSC(N[C@H]2CCSC2)=N[C@H]1C ZINC000299968625 358958024 /nfs/dbraw/zinc/95/80/24/358958024.db2.gz OAGCPNKXBCYSLR-VGMNWLOBSA-N 0 3 230.402 2.209 10 0 BEAEHN N[C@]1(c2ccsc2Cl)CCCOC1 ZINC000306177696 358987365 /nfs/dbraw/zinc/98/73/65/358987365.db2.gz CCQWAYNEXWRURH-SECBINFHSA-N 0 3 217.721 2.366 10 0 BEAEHN N[C@@]1(c2ccsc2Cl)CCCOC1 ZINC000306177698 358987873 /nfs/dbraw/zinc/98/78/73/358987873.db2.gz CCQWAYNEXWRURH-VIFPVBQESA-N 0 3 217.721 2.366 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NC[C@@H]1CCCOC1 ZINC000070528881 359058503 /nfs/dbraw/zinc/05/85/03/359058503.db2.gz JVXUBWCXXSGCJC-WCQYABFASA-N 0 3 233.311 2.136 10 0 BEAEHN CCCCCN1CCN(CCOC)[C@@H](CC)C1 ZINC000246713238 359159153 /nfs/dbraw/zinc/15/91/53/359159153.db2.gz NHVBXJWQHJASAW-AWEZNQCLSA-N 0 3 242.407 2.219 10 0 BEAEHN CCC(CC)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000246819412 359167308 /nfs/dbraw/zinc/16/73/08/359167308.db2.gz CKVPKYGIIPPLEB-DGCLKSJQSA-N 0 3 238.375 2.118 10 0 BEAEHN CC(C)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000248042518 359252704 /nfs/dbraw/zinc/25/27/04/359252704.db2.gz UDSRNGOPELWAJJ-VNHYZAJKSA-N 0 3 247.386 2.461 10 0 BEAEHN CCC(CC)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247268340 359207981 /nfs/dbraw/zinc/20/79/81/359207981.db2.gz JTMQCCDPGLUWAN-YPMHNXCESA-N 0 3 240.391 2.268 10 0 BEAEHN C[C@H]1CC[C@](N)(c2ncc(Cl)cn2)C1 ZINC000306212409 359307089 /nfs/dbraw/zinc/30/70/89/359307089.db2.gz VQTMFMTXAWTZBI-OIBJUYFYSA-N 0 3 211.696 2.104 10 0 BEAEHN FC(F)(F)[C@H]1CCC[C@H]1NC1CSC1 ZINC000306268541 359490165 /nfs/dbraw/zinc/49/01/65/359490165.db2.gz KARHIILJFOJMIE-JGVFFNPUSA-N 0 3 225.279 2.422 10 0 BEAEHN COC(=O)C[C@](C)(N)c1ccccc1Cl ZINC000086851523 359553575 /nfs/dbraw/zinc/55/35/75/359553575.db2.gz QFWZURXLRVFLSG-NSHDSACASA-N 0 3 227.691 2.077 10 0 BEAEHN C1CSC2(C[C@H]3CC[C@@H](C2)S3)N1 ZINC000403585690 359558077 /nfs/dbraw/zinc/55/80/77/359558077.db2.gz MJRHJIRYGZJDCX-JVHMLUBASA-N 0 3 201.360 2.077 10 0 BEAEHN NNc1ncc(Br)c2ccsc21 ZINC000306303122 359579155 /nfs/dbraw/zinc/57/91/55/359579155.db2.gz OFXINQJZQKAMOF-UHFFFAOYSA-N 0 3 244.117 2.344 10 0 BEAEHN C[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC000306329327 359610289 /nfs/dbraw/zinc/61/02/89/359610289.db2.gz MXEBFOBJDNPJGV-KYZUINATSA-N 0 3 211.334 2.206 10 0 BEAEHN C[C@H](N)c1cncn1Cc1ccsc1 ZINC000130371495 359672502 /nfs/dbraw/zinc/67/25/02/359672502.db2.gz DDBJKLITSDVBEZ-QMMMGPOBSA-N 0 3 207.302 2.013 10 0 BEAEHN C[C@@H](N)c1cncn1Cc1ccsc1 ZINC000130372777 359673669 /nfs/dbraw/zinc/67/36/69/359673669.db2.gz DDBJKLITSDVBEZ-MRVPVSSYSA-N 0 3 207.302 2.013 10 0 BEAEHN CC(C)[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000087616899 359921563 /nfs/dbraw/zinc/92/15/63/359921563.db2.gz DYCKFETVYLPGLX-SMDDNHRTSA-N 0 3 246.354 2.034 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000088077870 359936234 /nfs/dbraw/zinc/93/62/34/359936234.db2.gz ZELGFJWVYZUHOM-DZGCQCFKSA-N 0 3 245.370 2.140 10 0 BEAEHN C[C@@H]1CN[C@@H]([C@@H]2CCCSC2)S1 ZINC000306448744 360015714 /nfs/dbraw/zinc/01/57/14/360015714.db2.gz JORGHSWCVDBLQS-IWSPIJDZSA-N 0 3 203.376 2.181 10 0 BEAEHN C[C@@H]1C[C@@H](C)O[C@](C)(C(F)(F)F)CN1 ZINC000306469139 360084220 /nfs/dbraw/zinc/08/42/20/360084220.db2.gz OWCAKYPGMBGYDK-PRJMDXOYSA-N 0 3 211.227 2.094 10 0 BEAEHN CC(C)C[C@H]1CCN([C@H]2CCCC2=O)C1 ZINC000306478355 360126211 /nfs/dbraw/zinc/12/62/11/360126211.db2.gz CWSYROWYSFQCAM-NEPJUHHUSA-N 0 3 209.333 2.476 10 0 BEAEHN COc1c(CN2CCC3(CCC3)C2)c(C)nn1C ZINC000093455926 360244945 /nfs/dbraw/zinc/24/49/45/360244945.db2.gz VAVFSKLHESAQSP-UHFFFAOYSA-N 0 3 249.358 2.113 10 0 BEAEHN CCN1C[C@H](NCc2ccc(Cl)o2)[C@@H](C)C1 ZINC000309426254 491149080 /nfs/dbraw/zinc/14/90/80/491149080.db2.gz FHRHNPWWNVNHDG-ONGXEEELSA-N 0 3 242.750 2.363 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1ccc(Br)nc1 ZINC000306551423 360424766 /nfs/dbraw/zinc/42/47/66/360424766.db2.gz AJIOOVNHBRHWHD-CBAPKCEASA-N 0 3 241.132 2.342 10 0 BEAEHN C[C@@](F)([C@@H]1CCCN1)C(F)(F)Br ZINC000306581830 360479780 /nfs/dbraw/zinc/47/97/80/360479780.db2.gz QAUALVBSSUOKIV-NTSWFWBYSA-N 0 3 246.070 2.454 10 0 BEAEHN C[C@](F)([C@@H]1CCCN1)C(F)(F)Br ZINC000306581834 360480126 /nfs/dbraw/zinc/48/01/26/360480126.db2.gz QAUALVBSSUOKIV-WDSKDSINSA-N 0 3 246.070 2.454 10 0 BEAEHN N[C@@H](C[C@H]1CCCCO1)c1ccns1 ZINC000306592125 360510123 /nfs/dbraw/zinc/51/01/23/360510123.db2.gz WBXCFXLXNIPESB-BDAKNGLRSA-N 0 3 212.318 2.102 10 0 BEAEHN Cc1ccc(CN[C@H]2CCO[C@H]2C)c(F)c1 ZINC000631104918 360948547 /nfs/dbraw/zinc/94/85/47/360948547.db2.gz QBCIVOKJXDDPOR-GWCFXTLKSA-N 0 3 223.291 2.401 10 0 BEAEHN N[C@@H]1CCC[S@](=O)c2c(Cl)cccc21 ZINC000040973852 360983331 /nfs/dbraw/zinc/98/33/31/360983331.db2.gz BASJHFHBNVWQNC-YMTOWFKASA-N 0 3 229.732 2.241 10 0 BEAEHN Cc1cnc(C2(N)CC2)c(Br)c1 ZINC000238556689 361150005 /nfs/dbraw/zinc/15/00/05/361150005.db2.gz MGALJEIVPZBVHA-UHFFFAOYSA-N 0 3 227.105 2.100 10 0 BEAEHN NC1(C(=O)NCC2CCCCC2)CCCCC1 ZINC000037259830 181326173 /nfs/dbraw/zinc/32/61/73/181326173.db2.gz FGRKQYVXKZGNDI-UHFFFAOYSA-N 0 3 238.375 2.345 10 0 BEAEHN NC1(c2nc3c(s2)CCC3)CCCC1 ZINC000041059600 361221631 /nfs/dbraw/zinc/22/16/31/361221631.db2.gz RLQBBPRXJGREHU-UHFFFAOYSA-N 0 3 208.330 2.360 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000579007305 366694010 /nfs/dbraw/zinc/69/40/10/366694010.db2.gz ZESHMTXQZRBTGT-QWRGUYRKSA-N 0 3 207.321 2.305 10 0 BEAEHN C[C@H]1OCC[C@@H]1NCc1scnc1C1CC1 ZINC000309913216 491158139 /nfs/dbraw/zinc/15/81/39/491158139.db2.gz NXXIDJDSAFVEEF-SCZZXKLOSA-N 0 3 238.356 2.288 10 0 BEAEHN Cc1nc(CN[C@H]2CCCC[C@H]2CO)cs1 ZINC000152323143 201196407 /nfs/dbraw/zinc/19/64/07/201196407.db2.gz ZIXNKIKPAWVXBH-JQWIXIFHSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1sc(C(F)(F)F)nc1[C@H](C)N ZINC000306638474 361586137 /nfs/dbraw/zinc/58/61/37/361586137.db2.gz CEDHBRSFHRQLSC-VKHMYHEASA-N 0 3 210.224 2.490 10 0 BEAEHN Cc1ccc(CNCc2cn[nH]c2)s1 ZINC000038006019 361661681 /nfs/dbraw/zinc/66/16/81/361661681.db2.gz OSTAQDXLEXILMM-UHFFFAOYSA-N 0 3 207.302 2.069 10 0 BEAEHN C[C@H]([C@@H]1NCCc2nc[nH]c21)C(C)(C)C ZINC000400372168 541308616 /nfs/dbraw/zinc/30/86/16/541308616.db2.gz BFCJCHLLSPZVLX-SCZZXKLOSA-N 0 3 207.321 2.279 10 0 BEAEHN CN(C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000170863396 364545090 /nfs/dbraw/zinc/54/50/90/364545090.db2.gz RQBYJMRBYCRGRK-CYBMUJFWSA-N 0 3 238.375 2.119 10 0 BEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000011960047 370803759 /nfs/dbraw/zinc/80/37/59/370803759.db2.gz GPPCICGSVGYVCX-RNCFNFMXSA-N 0 3 248.326 2.201 10 0 BEAEHN CCC[C@@H](C)c1cc2nccc(CN)n2n1 ZINC000233285633 541509127 /nfs/dbraw/zinc/50/91/27/541509127.db2.gz XSUIWCHFCREISE-SECBINFHSA-N 0 3 218.304 2.092 10 0 BEAEHN Cc1c(CN[C@@H]2C[C@H]2CC(C)C)cnn1C ZINC000385875458 367872382 /nfs/dbraw/zinc/87/23/82/367872382.db2.gz VVXUEMPMSAXUNH-DGCLKSJQSA-N 0 3 221.348 2.253 10 0 BEAEHN C[C@@H]1CN(C[C@H]2CCCCC2=O)CCS1 ZINC000252980715 368176290 /nfs/dbraw/zinc/17/62/90/368176290.db2.gz NSNAJGSINAMNIW-GHMZBOCLSA-N 0 3 227.373 2.183 10 0 BEAEHN NCc1ccc(COc2ccccc2)cn1 ZINC000059679940 368334272 /nfs/dbraw/zinc/33/42/72/368334272.db2.gz GZOPEEHBISTSKA-UHFFFAOYSA-N 0 3 214.268 2.119 10 0 BEAEHN Cc1cc(N)c(OCCN(C)C)cc1Cl ZINC000149130448 368350566 /nfs/dbraw/zinc/35/05/66/368350566.db2.gz OZMDQDBNIALYEY-UHFFFAOYSA-N 0 3 228.723 2.171 10 0 BEAEHN C[C@@H]([C@H]1COc2ccccc2O1)N1CCCC1 ZINC000001843853 368709267 /nfs/dbraw/zinc/70/92/67/368709267.db2.gz KAXULGXUSBBIMN-SMDDNHRTSA-N 0 3 233.311 2.311 10 0 BEAEHN COC(=O)[C@@H](CN1CCCCC1)c1ccccc1 ZINC000083881926 368833615 /nfs/dbraw/zinc/83/36/15/368833615.db2.gz WNLVEFFEQSFPIB-AWEZNQCLSA-N 0 3 247.338 2.429 10 0 BEAEHN C[C@@H](NCC(=O)Nc1nccs1)C(C)(C)C ZINC000114474130 368941163 /nfs/dbraw/zinc/94/11/63/368941163.db2.gz YNCDAHFOBCNSLN-MRVPVSSYSA-N 0 3 241.360 2.106 10 0 BEAEHN COC(=O)C(C=O)c1cccc(C(F)(F)F)c1 ZINC000116071109 369019321 /nfs/dbraw/zinc/01/93/21/369019321.db2.gz UAVIRBQKHOZBIG-SECBINFHSA-N 0 3 246.184 2.161 10 0 BEAEHN COCCOc1ccc2[nH]cc(CN(C)C)c2c1 ZINC000115469670 368994769 /nfs/dbraw/zinc/99/47/69/368994769.db2.gz YZUJUGOIGRLMCB-UHFFFAOYSA-N 0 3 248.326 2.255 10 0 BEAEHN CCC[C@H](C(=O)N(C)CC1CCCC1)N(C)C ZINC000155154449 326186807 /nfs/dbraw/zinc/18/68/07/326186807.db2.gz BBUOYSJQBFZINI-CYBMUJFWSA-N 0 3 240.391 2.365 10 0 BEAEHN NCc1cc(F)ccc1OCCc1ccccn1 ZINC000037238301 181477624 /nfs/dbraw/zinc/47/76/24/181477624.db2.gz VABQJSVPBRUYQO-UHFFFAOYSA-N 0 3 246.285 2.301 10 0 BEAEHN NCc1cnc(Nc2ccccc2)s1 ZINC000011730821 181493636 /nfs/dbraw/zinc/49/36/36/181493636.db2.gz HHGJKHNPNXWWTP-UHFFFAOYSA-N 0 3 205.286 2.345 10 0 BEAEHN Cc1cc(C)c(CN[C@@H]2C[C@H]2CO)cc1C ZINC000309908094 370274566 /nfs/dbraw/zinc/27/45/66/370274566.db2.gz LGYGLCOJKGLOJK-UONOGXRCSA-N 0 3 219.328 2.082 10 0 BEAEHN Cc1csc([C@H](C)N[C@@H]2CCC[C@H](O)C2)n1 ZINC000623871537 371136191 /nfs/dbraw/zinc/13/61/91/371136191.db2.gz HGPIQNRNQQCWJI-AXFHLTTASA-N 0 3 240.372 2.406 10 0 BEAEHN CCC[C@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000389961601 371183688 /nfs/dbraw/zinc/18/36/88/371183688.db2.gz WAZLYDKAASZLKO-CMPLNLGQSA-N 0 3 207.321 2.468 10 0 BEAEHN N[C@@H](CO)c1cc(F)cc(Cl)c1Cl ZINC000072198484 181549509 /nfs/dbraw/zinc/54/95/09/181549509.db2.gz OJDMJFFIOOYLPE-ZETCQYMHSA-N 0 3 224.062 2.125 10 0 BEAEHN N[C@@H]1COc2ccc(C(F)(F)F)cc21 ZINC000075882314 181596537 /nfs/dbraw/zinc/59/65/37/181596537.db2.gz IWDYFMAZOKVBNW-SSDOTTSWSA-N 0 3 203.163 2.098 10 0 BEAEHN N[C@H](c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000035379675 181635340 /nfs/dbraw/zinc/63/53/40/181635340.db2.gz JZWOVGNHFPRZPO-ZDUSSCGKSA-N 0 3 231.251 2.099 10 0 BEAEHN C[C@H]1Oc2c(c(Br)ccc2F)[C@H]1N ZINC000126647435 371541704 /nfs/dbraw/zinc/54/17/04/371541704.db2.gz QJQBPIKIGUJIRZ-VHWMUFPASA-N 0 3 246.079 2.369 10 0 BEAEHN CN1CCC[C@H]1CNc1cccc(Cl)n1 ZINC000226138255 371612015 /nfs/dbraw/zinc/61/20/15/371612015.db2.gz LXOWWMRPEFOBHE-VIFPVBQESA-N 0 3 225.723 2.241 10 0 BEAEHN N[C@H](c1ccns1)C1CCSCC1 ZINC000401699367 371800569 /nfs/dbraw/zinc/80/05/69/371800569.db2.gz MHUAHMCWMZQFIQ-VIFPVBQESA-N 0 3 214.359 2.286 10 0 BEAEHN NC[C@H](F)Cc1ccc(F)cc1Cl ZINC000162849357 371865785 /nfs/dbraw/zinc/86/57/85/371865785.db2.gz RRBXAFZFSNSGBE-MRVPVSSYSA-N 0 3 205.635 2.318 10 0 BEAEHN CN[C@@H](c1ccsc1C)[C@H]1CCCO1 ZINC000227792270 371939567 /nfs/dbraw/zinc/93/95/67/371939567.db2.gz FAJQFURLYQRIIA-MNOVXSKESA-N 0 3 211.330 2.496 10 0 BEAEHN CN(C)[C@H](CN)c1ccc(Cl)cc1F ZINC000162990485 371903659 /nfs/dbraw/zinc/90/36/59/371903659.db2.gz ZVUKCWWSUZSNPG-SNVBAGLBSA-N 0 3 216.687 2.041 10 0 BEAEHN NCc1c(Cl)scc1[C@H]1CCOC1 ZINC000132799193 371923363 /nfs/dbraw/zinc/92/33/63/371923363.db2.gz IYWVLIPRBSZPAW-LURJTMIESA-N 0 3 217.721 2.364 10 0 BEAEHN Cc1sccc1C(=O)[C@@]1(C)CCCN1 ZINC000227881013 371955199 /nfs/dbraw/zinc/95/51/99/371955199.db2.gz FWEYPPCXTBDHRT-LLVKDONJSA-N 0 3 209.314 2.381 10 0 BEAEHN CC[C@H]1C[C@@]1(N)c1ncccc1Br ZINC000133349117 372027708 /nfs/dbraw/zinc/02/77/08/372027708.db2.gz NZSFFWIJHCSJKT-XVKPBYJWSA-N 0 3 241.132 2.428 10 0 BEAEHN CCN[C@]1(c2nccs2)CC[C@@H]2C[C@@H]21 ZINC000306822315 372071163 /nfs/dbraw/zinc/07/11/63/372071163.db2.gz NBFKNZGSLIHHQQ-WCABBAIRSA-N 0 3 208.330 2.378 10 0 BEAEHN C[C@H]1CCSC(NCc2cscn2)=N1 ZINC000133653405 372085465 /nfs/dbraw/zinc/08/54/65/372085465.db2.gz BXGPMNPRTNDAIU-ZETCQYMHSA-N 0 3 227.358 2.114 10 0 BEAEHN CCNCc1cc2cccc3c2n(c1=O)CCC3 ZINC000039287206 372930237 /nfs/dbraw/zinc/93/02/37/372930237.db2.gz FZCRIEAAIMLHSX-UHFFFAOYSA-N 0 3 242.322 2.057 10 0 BEAEHN N[C@H]1COc2c1c(Br)ccc2Cl ZINC000069717433 373646958 /nfs/dbraw/zinc/64/69/58/373646958.db2.gz UXQSPJXFLQMWPG-LURJTMIESA-N 0 3 248.507 2.495 10 0 BEAEHN Brc1ccoc1[C@H]1CCCN1 ZINC000069841606 373853535 /nfs/dbraw/zinc/85/35/35/373853535.db2.gz XDBKBDKJPCIRDJ-SSDOTTSWSA-N 0 3 216.078 2.467 10 0 BEAEHN Nc1ncccc1[C@H](N)C1CCCCC1 ZINC000069845087 373877147 /nfs/dbraw/zinc/87/71/47/373877147.db2.gz KOIRDNORLOHJSK-LLVKDONJSA-N 0 3 205.305 2.244 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1ccc(Br)cn1 ZINC000069938796 374081074 /nfs/dbraw/zinc/08/10/74/374081074.db2.gz OAULTFZNJXCAPY-XVKPBYJWSA-N 0 3 241.132 2.342 10 0 BEAEHN CC(C)(C)OC(=O)NC[C@H](N)c1ccsc1 ZINC000143156532 374140373 /nfs/dbraw/zinc/14/03/73/374140373.db2.gz SNDIYIPKTQKBEI-VIFPVBQESA-N 0 3 242.344 2.273 10 0 BEAEHN C[C@H](N)c1csc([C@H]2CCCOC2)n1 ZINC000070842475 374204835 /nfs/dbraw/zinc/20/48/35/374204835.db2.gz CXEWNTJOWDLQKO-YUMQZZPRSA-N 0 3 212.318 2.057 10 0 BEAEHN C[C@@H]1CCCC[C@H]1CN1CCC(=O)CC1 ZINC000042863746 374294846 /nfs/dbraw/zinc/29/48/46/374294846.db2.gz LHZRHDMATNZBID-NEPJUHHUSA-N 0 3 209.333 2.478 10 0 BEAEHN C[C@H]1CCCC[C@@H]1CN1CCC(=O)CC1 ZINC000042863744 374294862 /nfs/dbraw/zinc/29/48/62/374294862.db2.gz LHZRHDMATNZBID-NWDGAFQWSA-N 0 3 209.333 2.478 10 0 BEAEHN CCCN(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000124827905 169054937 /nfs/dbraw/zinc/05/49/37/169054937.db2.gz PBHFDGJFMVSHDN-GFCCVEGCSA-N 0 3 243.395 2.014 10 0 BEAEHN OCc1sccc1CN1CCCCC1 ZINC000045205676 183171324 /nfs/dbraw/zinc/17/13/24/183171324.db2.gz KFUJYGGHZWXVJQ-UHFFFAOYSA-N 0 3 211.330 2.226 10 0 BEAEHN O[C@@H]1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000041225890 183202566 /nfs/dbraw/zinc/20/25/66/183202566.db2.gz JIKYCLGMRKFQKM-MNOVXSKESA-N 0 3 211.692 2.125 10 0 BEAEHN CCCN(C)[C@@H](CN)c1ccccc1OC ZINC000020225776 169086287 /nfs/dbraw/zinc/08/62/87/169086287.db2.gz INCSWTVDXOQLSH-LBPRGKRZSA-N 0 3 222.332 2.037 10 0 BEAEHN CCCN(C)c1nc2c(s1)[C@@H](N)CCC2 ZINC000054894985 169089639 /nfs/dbraw/zinc/08/96/39/169089639.db2.gz ZRGUMUQUTQDFEZ-QMMMGPOBSA-N 0 3 225.361 2.325 10 0 BEAEHN CCCN(C)c1nc2ccccn2c1CNCC ZINC000035449269 169089967 /nfs/dbraw/zinc/08/99/67/169089967.db2.gz CSFULBNWPMUUMN-UHFFFAOYSA-N 0 3 246.358 2.290 10 0 BEAEHN CCCN(C)c1nc2c(s1)[C@H](N)CCC2 ZINC000054894982 169090585 /nfs/dbraw/zinc/09/05/85/169090585.db2.gz ZRGUMUQUTQDFEZ-MRVPVSSYSA-N 0 3 225.361 2.325 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000037509510 183236099 /nfs/dbraw/zinc/23/60/99/183236099.db2.gz WIWJGYIWKYXNMS-BDAKNGLRSA-N 0 3 229.707 2.326 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000037509511 183236551 /nfs/dbraw/zinc/23/65/51/183236551.db2.gz WIWJGYIWKYXNMS-IUCAKERBSA-N 0 3 229.707 2.326 10 0 BEAEHN CCCN(CC(F)(F)F)c1ccnc(CO)c1 ZINC000042779277 169107577 /nfs/dbraw/zinc/10/75/77/169107577.db2.gz BWFMNCKCIMQLNA-UHFFFAOYSA-N 0 3 248.248 2.353 10 0 BEAEHN O[C@H]1CCC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000053156266 183237823 /nfs/dbraw/zinc/23/78/23/183237823.db2.gz UBRVCRMVURPOKE-NEPJUHHUSA-N 0 3 243.709 2.482 10 0 BEAEHN CCCN(CCC)CC(=O)Nc1ccncc1 ZINC000112558934 169147585 /nfs/dbraw/zinc/14/75/85/169147585.db2.gz YAFZKRACDVWFDW-UHFFFAOYSA-N 0 3 235.331 2.142 10 0 BEAEHN c1c(CNC2CCCC2)nc2n1CCCC2 ZINC000309327682 183322178 /nfs/dbraw/zinc/32/21/78/183322178.db2.gz GYDDETHXAZWESA-UHFFFAOYSA-N 0 3 219.332 2.252 10 0 BEAEHN CCCN1CCc2nc([C@H](N)CC)sc2C1 ZINC000041059230 169208487 /nfs/dbraw/zinc/20/84/87/169208487.db2.gz PZRXRJIIIICFPN-SECBINFHSA-N 0 3 239.388 2.321 10 0 BEAEHN c1n[nH]cc1CNCc1cccc2cnccc21 ZINC000061125396 183351191 /nfs/dbraw/zinc/35/11/91/183351191.db2.gz PDBLYQNDQWRTTH-UHFFFAOYSA-N 0 3 238.294 2.248 10 0 BEAEHN CCCNCC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061119056 169256187 /nfs/dbraw/zinc/25/61/87/169256187.db2.gz XZHWHZYPBNRTJE-UHFFFAOYSA-N 0 3 246.232 2.042 10 0 BEAEHN c1cc(CNC[C@@H]2CCCCO2)cc2c1OCO2 ZINC000049633127 183368062 /nfs/dbraw/zinc/36/80/62/183368062.db2.gz SIINUXKSHGADGQ-LBPRGKRZSA-N 0 3 249.310 2.074 10 0 BEAEHN CCCN[C@H](C[C@H]1CCCO1)c1cncnc1 ZINC000052887146 169288750 /nfs/dbraw/zinc/28/87/50/169288750.db2.gz MQWQYOYANPJBDV-CHWSQXEVSA-N 0 3 235.331 2.086 10 0 BEAEHN CCCNCc1cccc(N2CC[C@H](C)C2)n1 ZINC000051448256 169268314 /nfs/dbraw/zinc/26/83/14/169268314.db2.gz CVFBNTLTEJWYKJ-LBPRGKRZSA-N 0 3 233.359 2.427 10 0 BEAEHN CCCNCc1nc2c(cccc2F)[nH]1 ZINC000044624013 169268972 /nfs/dbraw/zinc/26/89/72/169268972.db2.gz LKQIKPGZWHHUKS-UHFFFAOYSA-N 0 3 207.252 2.202 10 0 BEAEHN CCCN[C@@H](Cc1cccnc1)c1cncnc1 ZINC000053132169 169278893 /nfs/dbraw/zinc/27/88/93/169278893.db2.gz QVGNACHXJUJXSR-AWEZNQCLSA-N 0 3 242.326 2.155 10 0 BEAEHN CCCN[C@@H](Cc1cnn(C)c1)c1ccccn1 ZINC000050542613 169279703 /nfs/dbraw/zinc/27/97/03/169279703.db2.gz ODCUPRZSSHIPGY-AWEZNQCLSA-N 0 3 244.342 2.099 10 0 BEAEHN CCCOc1ccc(C(=O)[C@@H]2CCCN2)cc1 ZINC000071536944 169317278 /nfs/dbraw/zinc/31/72/78/169317278.db2.gz CQCDEMDXFAAXBK-ZDUSSCGKSA-N 0 3 233.311 2.410 10 0 BEAEHN CCCOCCO[C@H](CN)c1cccc(F)c1 ZINC000104248640 169309850 /nfs/dbraw/zinc/30/98/50/169309850.db2.gz CIECCBQPKGDXFM-CYBMUJFWSA-N 0 3 241.306 2.269 10 0 BEAEHN CCCOc1ccc([C@@H](N)Cn2ccnc2)cc1 ZINC000022563721 169321359 /nfs/dbraw/zinc/32/13/59/169321359.db2.gz DZGLKLWFIMBQGG-AWEZNQCLSA-N 0 3 245.326 2.372 10 0 BEAEHN CCCOc1cccc2c1O[C@H](C)[C@H]2N ZINC000043635044 169327043 /nfs/dbraw/zinc/32/70/43/169327043.db2.gz VLOVKLORUIHLOS-LDYMZIIASA-N 0 3 207.273 2.256 10 0 BEAEHN CCC[C@@H](C(=O)N[C@H](C)CC(C)C)N(C)C ZINC000120315770 169345390 /nfs/dbraw/zinc/34/53/90/169345390.db2.gz JJDQVGWJFLGDFT-NEPJUHHUSA-N 0 3 228.380 2.268 10 0 BEAEHN CCC[C@@H](CC)NCc1c(C)nn(C)c1OC ZINC000105462096 169379581 /nfs/dbraw/zinc/37/95/81/169379581.db2.gz LPHINFUWFATNMH-LLVKDONJSA-N 0 3 239.363 2.405 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1F ZINC000037764230 169391575 /nfs/dbraw/zinc/39/15/75/169391575.db2.gz MOPJJHFAOOWNFJ-BXKDBHETSA-N 0 3 238.306 2.130 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1c(F)cccc1F ZINC000036873085 169392147 /nfs/dbraw/zinc/39/21/47/169392147.db2.gz UCWDDCTZTSXAJO-SECBINFHSA-N 0 3 228.242 2.031 10 0 BEAEHN c1coc(CNCCc2nc3ccccc3[nH]2)c1 ZINC000057353443 183509929 /nfs/dbraw/zinc/50/99/29/183509929.db2.gz ARBNPUQUHSMWAW-UHFFFAOYSA-N 0 3 241.294 2.488 10 0 BEAEHN CO[C@H](C)CN1CCC[C@@H]1c1ccco1 ZINC000182176827 134342336 /nfs/dbraw/zinc/34/23/36/134342336.db2.gz MRIOYZYMHUVRGC-GHMZBOCLSA-N 0 3 209.289 2.451 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NC[C@@H]1CCSC1 ZINC000224427436 134347343 /nfs/dbraw/zinc/34/73/43/134347343.db2.gz UDDHEENFTIDDPP-JQWIXIFHSA-N 0 3 235.352 2.463 10 0 BEAEHN CCc1ccc([C@@H](C)NCCC(=O)OC)cc1 ZINC000036803943 383910219 /nfs/dbraw/zinc/91/02/19/383910219.db2.gz DZDUXJSWTJRXFD-LLVKDONJSA-N 0 3 235.327 2.463 10 0 BEAEHN Cc1ccc([C@H](C)NCC(=O)NC2CC2)c(C)c1 ZINC000036782409 383910382 /nfs/dbraw/zinc/91/03/82/383910382.db2.gz JMSRKZBENNTHID-LBPRGKRZSA-N 0 3 246.354 2.233 10 0 BEAEHN CC(C)(C)n1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000647251623 383891189 /nfs/dbraw/zinc/89/11/89/383891189.db2.gz DTPQOSLPQQXCIS-CYZMBNFOSA-N 0 3 248.374 2.311 10 0 BEAEHN CCOc1ccccc1CNC[C@@H]1CCC[C@@H]1O ZINC000089165762 383938635 /nfs/dbraw/zinc/93/86/35/383938635.db2.gz LLPJCXMOXHCHLV-JSGCOSHPSA-N 0 3 249.354 2.336 10 0 BEAEHN c1ccc2c(c1)CC[C@@H](NCc1cncnc1)C2 ZINC000054768222 383977235 /nfs/dbraw/zinc/97/72/35/383977235.db2.gz DTQJTPYETABJCT-OAHLLOKOSA-N 0 3 239.322 2.124 10 0 BEAEHN NCc1ccc([C@@H](O)c2ccsc2)s1 ZINC000090397636 384044252 /nfs/dbraw/zinc/04/42/52/384044252.db2.gz GEUUISKLTZNDTJ-JTQLQIEISA-N 0 3 225.338 2.350 10 0 BEAEHN CN[C@H]1CCOc2c(Br)cccc21 ZINC000035654521 384088430 /nfs/dbraw/zinc/08/84/30/384088430.db2.gz NMAMDQFRRRJBPC-VIFPVBQESA-N 0 3 242.116 2.492 10 0 BEAEHN CN[C@H]1COc2c1cc(F)cc2Br ZINC000035655196 384089276 /nfs/dbraw/zinc/08/92/76/384089276.db2.gz OCOINBRNMSDDPT-QMMMGPOBSA-N 0 3 246.079 2.241 10 0 BEAEHN Cc1ccc(C(=O)[C@H]2CCCN2)c(C)c1 ZINC000036157495 384070838 /nfs/dbraw/zinc/07/08/38/384070838.db2.gz HWXHPRMVUHKLSG-GFCCVEGCSA-N 0 3 203.285 2.238 10 0 BEAEHN NCc1cncc(-c2ccc(F)c(F)c2)c1 ZINC000091351613 384120747 /nfs/dbraw/zinc/12/07/47/384120747.db2.gz PQFPFBPLEWYQCE-UHFFFAOYSA-N 0 3 220.222 2.486 10 0 BEAEHN c1cn2c(n1)[C@@H](C1CCCC1)NCCC2 ZINC000257196337 384145039 /nfs/dbraw/zinc/14/50/39/384145039.db2.gz YAPYVPQZPIXNLJ-LLVKDONJSA-N 0 3 205.305 2.108 10 0 BEAEHN Nc1nc(-c2cc(Br)cs2)c[nH]1 ZINC000071558602 384172048 /nfs/dbraw/zinc/17/20/48/384172048.db2.gz VULUTBYUIDBZRR-UHFFFAOYSA-N 0 3 244.117 2.483 10 0 BEAEHN C[C@@H]1C[C@H](N[C@@H]2CCOc3ccccc32)CO1 ZINC000401866148 384165916 /nfs/dbraw/zinc/16/59/16/384165916.db2.gz VIIBIVXSHDFTDV-NTZNESFSSA-N 0 3 233.311 2.277 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(F)cn1 ZINC000092196581 384167948 /nfs/dbraw/zinc/16/79/48/384167948.db2.gz FXGJJSAMNALPFM-YGOYTEALSA-N 0 3 224.279 2.049 10 0 BEAEHN COc1cc(Cl)c(CN)cc1Cl ZINC000071509921 384169971 /nfs/dbraw/zinc/16/99/71/384169971.db2.gz LCKOKZGYAQGXIE-UHFFFAOYSA-N 0 3 206.072 2.461 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1ccc(C)o1 ZINC000119403086 384266844 /nfs/dbraw/zinc/26/68/44/384266844.db2.gz XDRUIHBRHAIEKF-LBPRGKRZSA-N 0 3 211.305 2.181 10 0 BEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1cccs1 ZINC000282498948 384298036 /nfs/dbraw/zinc/29/80/36/384298036.db2.gz YADXDOIWVNXOSI-UTLUCORTSA-N 0 3 238.356 2.066 10 0 BEAEHN CCC[C@H](C(=O)NC[C@@H]1CC=CCC1)N(C)C ZINC000120644718 384365928 /nfs/dbraw/zinc/36/59/28/384365928.db2.gz LGBMFVNTXRWWHD-CHWSQXEVSA-N 0 3 238.375 2.189 10 0 BEAEHN COc1cc(N2CCCC2)nc2c1NCCC2 ZINC000095908432 384404343 /nfs/dbraw/zinc/40/43/43/384404343.db2.gz XOLNXCDTDFGOGW-UHFFFAOYSA-N 0 3 233.315 2.049 10 0 BEAEHN Cc1cc(C(F)(F)F)c(CN)c(C)n1 ZINC000095642093 384385450 /nfs/dbraw/zinc/38/54/50/384385450.db2.gz DGXKTCFSAIHPDN-UHFFFAOYSA-N 0 3 204.195 2.176 10 0 BEAEHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000120895742 384387314 /nfs/dbraw/zinc/38/73/14/384387314.db2.gz QGNFFFAOPIKKSO-OCCSQVGLSA-N 0 3 246.354 2.001 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccc2c(c1)OCO2 ZINC000135300589 384434848 /nfs/dbraw/zinc/43/48/48/384434848.db2.gz UBSCRJBEUIZFKU-NHCYSSNCSA-N 0 3 249.310 2.243 10 0 BEAEHN FCCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000137427773 384531447 /nfs/dbraw/zinc/53/14/47/384531447.db2.gz YMFFOERCHJEJHF-LLVKDONJSA-N 0 3 211.284 2.296 10 0 BEAEHN C[C@H](N)c1csc([C@@H]2CCSC2)n1 ZINC000258273214 384550898 /nfs/dbraw/zinc/55/08/98/384550898.db2.gz YAHIJISSFQQXMM-NKWVEPMBSA-N 0 3 214.359 2.383 10 0 BEAEHN CC(C)N(CCO)Cc1ccc2ccccc2n1 ZINC000049857014 384575488 /nfs/dbraw/zinc/57/54/88/384575488.db2.gz MCHVKSMAVBOQCV-UHFFFAOYSA-N 0 3 244.338 2.438 10 0 BEAEHN Cc1ccoc1CN1CCN2CCCC[C@H]2C1 ZINC000335890805 384567003 /nfs/dbraw/zinc/56/70/03/384567003.db2.gz PNWILLFIONXRNN-ZDUSSCGKSA-N 0 3 234.343 2.258 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CCCNC2=O)cc1C ZINC000050394560 384620905 /nfs/dbraw/zinc/62/09/05/384620905.db2.gz JQBRJQMSLVJHLI-JSGCOSHPSA-N 0 3 246.354 2.233 10 0 BEAEHN Cc1ccc([C@@H](N)Cn2cccn2)cc1C ZINC000011849790 384624046 /nfs/dbraw/zinc/62/40/46/384624046.db2.gz NYSQGZUATLEELX-ZDUSSCGKSA-N 0 3 215.300 2.200 10 0 BEAEHN C[C@@H](N[C@H]1CC[C@H](O)CC1)c1nccs1 ZINC000100248202 384628320 /nfs/dbraw/zinc/62/83/20/384628320.db2.gz RRXGKWBZRILWCZ-BBBLOLIVSA-N 0 3 226.345 2.097 10 0 BEAEHN O=C(CCCN1CCC[C@@H]1CO)c1ccccc1 ZINC000050150228 384599032 /nfs/dbraw/zinc/59/90/32/384599032.db2.gz XNOGCRHSVFTNPU-CQSZACIVSA-N 0 3 247.338 2.106 10 0 BEAEHN Cc1ccc(CN(C)C[C@@H]2CCOC2)o1 ZINC000047706483 384694342 /nfs/dbraw/zinc/69/43/42/384694342.db2.gz MLWNFXUHNSLSJU-NSHDSACASA-N 0 3 209.289 2.056 10 0 BEAEHN Cc1nc([C@H]2CCSC2)sc1CN ZINC000258925265 384695167 /nfs/dbraw/zinc/69/51/67/384695167.db2.gz QBFBDWFUIAXQSC-ZETCQYMHSA-N 0 3 214.359 2.131 10 0 BEAEHN NCc1cncc(-c2cccc(F)c2)c1 ZINC000082639060 384698867 /nfs/dbraw/zinc/69/88/67/384698867.db2.gz BZQLESLKUZPRNK-UHFFFAOYSA-N 0 3 202.232 2.346 10 0 BEAEHN CCOCCN1CCC[C@H]1c1ccco1 ZINC000116404603 384703666 /nfs/dbraw/zinc/70/36/66/384703666.db2.gz ZWMBJZWBKAVPCN-NSHDSACASA-N 0 3 209.289 2.453 10 0 BEAEHN COc1cc(C)nc(CNCC(C)C)c1 ZINC000125952588 384721700 /nfs/dbraw/zinc/72/17/00/384721700.db2.gz AUCSKAAYTPHDMT-UHFFFAOYSA-N 0 3 208.305 2.144 10 0 BEAEHN C[C@H]1Sc2c(c(F)ccc2F)[C@H]1N ZINC000043636170 384728746 /nfs/dbraw/zinc/72/87/46/384728746.db2.gz ZPWJGQHUSPVZDI-VHWMUFPASA-N 0 3 201.241 2.459 10 0 BEAEHN COCC[C@H](N)c1nc2c(cccc2Cl)[nH]1 ZINC000052785271 384745058 /nfs/dbraw/zinc/74/50/58/384745058.db2.gz GCKQGWDNAQYZCH-QMMMGPOBSA-N 0 3 239.706 2.253 10 0 BEAEHN Cc1cnc(CN[C@@H](C)C2CCCC2)cn1 ZINC000061320782 384756267 /nfs/dbraw/zinc/75/62/67/384756267.db2.gz YFXHSXNOBAHPGO-NSHDSACASA-N 0 3 219.332 2.453 10 0 BEAEHN Cc1cnc(CN[C@H](C)C2CCCC2)cn1 ZINC000061320783 384756331 /nfs/dbraw/zinc/75/63/31/384756331.db2.gz YFXHSXNOBAHPGO-LLVKDONJSA-N 0 3 219.332 2.453 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnn(C)c1C ZINC000126277948 384759753 /nfs/dbraw/zinc/75/97/53/384759753.db2.gz MEOFCEJVBWGTEN-CMPLNLGQSA-N 0 3 207.321 2.007 10 0 BEAEHN Cc1ccc(F)cc1CN[C@@H]1CCO[C@H]1C ZINC000163254039 384780095 /nfs/dbraw/zinc/78/00/95/384780095.db2.gz BCVLCIBXPCTKEW-GXFFZTMASA-N 0 3 223.291 2.401 10 0 BEAEHN COc1c(CN[C@@H]2CCC[C@@H]2C)c(C)nn1C ZINC000105504763 384790400 /nfs/dbraw/zinc/79/04/00/384790400.db2.gz LFFKWVCXJQHCRI-JOYOIKCWSA-N 0 3 237.347 2.015 10 0 BEAEHN CCCC(=O)N[C@H]1CCCN(CC=C(C)C)C1 ZINC000101564453 384798541 /nfs/dbraw/zinc/79/85/41/384798541.db2.gz WZVUNCJKWVHDAR-ZDUSSCGKSA-N 0 3 238.375 2.333 10 0 BEAEHN CSC[C@H](N)c1ccc(F)cc1F ZINC000055239255 384876012 /nfs/dbraw/zinc/87/60/12/384876012.db2.gz WXSRJUSRGRZDIG-VIFPVBQESA-N 0 3 203.257 2.328 10 0 BEAEHN Cc1ccc(F)c(CN[C@H]2CCO[C@H]2C)c1 ZINC000127325176 384881889 /nfs/dbraw/zinc/88/18/89/384881889.db2.gz SEJBHSFJMXYEOD-GWCFXTLKSA-N 0 3 223.291 2.401 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000055421688 384883438 /nfs/dbraw/zinc/88/34/38/384883438.db2.gz SRRIYZVQYYXFMP-SNVBAGLBSA-N 0 3 228.295 2.386 10 0 BEAEHN NC[C@H](F)Cc1cc(Br)cs1 ZINC000156373192 384847508 /nfs/dbraw/zinc/84/75/08/384847508.db2.gz WXSYHMKQPZFZDQ-ZCFIWIBFSA-N 0 3 238.125 2.350 10 0 BEAEHN NC[C@H](F)c1occc1Br ZINC000156367232 384854196 /nfs/dbraw/zinc/85/41/96/384854196.db2.gz HMQVAXSCMMPLSI-YFKPBYRVSA-N 0 3 208.030 2.011 10 0 BEAEHN C[C@@H]1C[C@@H]1NCC1=Cc2ccccc2OC1 ZINC000105437099 384867528 /nfs/dbraw/zinc/86/75/28/384867528.db2.gz XMOMPUVJHGXNEG-MFKMUULPSA-N 0 3 215.296 2.460 10 0 BEAEHN Cc1csc(CN[C@@H]2CCCC[C@H]2CO)n1 ZINC000164268142 384953285 /nfs/dbraw/zinc/95/32/85/384953285.db2.gz WBUPVUASEKFPGM-WDEREUQCSA-N 0 3 240.372 2.092 10 0 BEAEHN CC(C)CCCN[C@@H]1CCCn2ncnc21 ZINC000363860937 384891601 /nfs/dbraw/zinc/89/16/01/384891601.db2.gz YTMPMXWYOQMIMV-LLVKDONJSA-N 0 3 222.336 2.139 10 0 BEAEHN Cc1ccc([C@H]2CN(C3CC3)CCN2)cc1 ZINC000056894838 384921326 /nfs/dbraw/zinc/92/13/26/384921326.db2.gz KXBKRVQAVHVPNE-CQSZACIVSA-N 0 3 216.328 2.104 10 0 BEAEHN CN(C)C1(COc2ccc(Cl)nc2)CC1 ZINC000029126779 384983451 /nfs/dbraw/zinc/98/34/51/384983451.db2.gz VZIBYNBTDJTHCD-UHFFFAOYSA-N 0 3 226.707 2.208 10 0 BEAEHN CCN1CCC[C@H](NCc2cc(C)ns2)C1 ZINC000404424419 384990987 /nfs/dbraw/zinc/99/09/87/384990987.db2.gz WZICHOFVRDZSOV-NSHDSACASA-N 0 3 239.388 2.025 10 0 BEAEHN Cc1cc(CN[C@H](C)[C@H]2CCCO2)sn1 ZINC000404460021 385002209 /nfs/dbraw/zinc/00/22/09/385002209.db2.gz NVEMVUVAMIJHEJ-MWLCHTKSSA-N 0 3 226.345 2.109 10 0 BEAEHN CCN(CCC(C)=O)Cc1ccc(OC)cc1 ZINC000128155440 385003114 /nfs/dbraw/zinc/00/31/14/385003114.db2.gz DPNPRWVMSRIBLI-UHFFFAOYSA-N 0 3 235.327 2.496 10 0 BEAEHN Cc1c[nH]c(CN2CCCC[C@H]2C)c(C)c1=O ZINC000058823350 385024923 /nfs/dbraw/zinc/02/49/23/385024923.db2.gz WYIVTNVEIOLUON-LLVKDONJSA-N 0 3 234.343 2.366 10 0 BEAEHN Cc1c[nH]c(CN2CCC(C)CC2)c(C)c1=O ZINC000058823373 385025015 /nfs/dbraw/zinc/02/50/15/385025015.db2.gz AZVOVTLIVXDRKJ-UHFFFAOYSA-N 0 3 234.343 2.224 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1ccnn1CC ZINC000119429462 385095079 /nfs/dbraw/zinc/09/50/79/385095079.db2.gz XWTMJWYAHOBHMO-JQWIXIFHSA-N 0 3 207.321 2.181 10 0 BEAEHN CN(Cc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000109836427 385192952 /nfs/dbraw/zinc/19/29/52/385192952.db2.gz CTECYAVGPKOXQG-CQSZACIVSA-N 0 3 247.338 2.232 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CCO[C@@H]2C)o1 ZINC000119875477 385175813 /nfs/dbraw/zinc/17/58/13/385175813.db2.gz MFRQYIAOTVKKAT-AXFHLTTASA-N 0 3 209.289 2.416 10 0 BEAEHN CC[C@H](C)c1csc(N2CCNCC2)n1 ZINC000044494159 385211108 /nfs/dbraw/zinc/21/11/08/385211108.db2.gz QSJBMAYCZNCEHS-VIFPVBQESA-N 0 3 225.361 2.066 10 0 BEAEHN CCOC[C@H](C)N[C@H](C)c1ccncc1 ZINC000044688731 385217402 /nfs/dbraw/zinc/21/74/02/385217402.db2.gz WIMVCRJRCHVJAW-WDEREUQCSA-N 0 3 208.305 2.157 10 0 BEAEHN NCc1ccc(-c2ccncc2)cc1F ZINC000040231754 385312146 /nfs/dbraw/zinc/31/21/46/385312146.db2.gz NSOGEMFEMUCWJY-UHFFFAOYSA-N 0 3 202.232 2.346 10 0 BEAEHN CCC[C@@](C)(N)C(=O)NCCC1CCCC1 ZINC000037740144 385274374 /nfs/dbraw/zinc/27/43/74/385274374.db2.gz HSYBVQAGWHIURL-CYBMUJFWSA-N 0 3 226.364 2.200 10 0 BEAEHN CSCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000157798288 385281689 /nfs/dbraw/zinc/28/16/89/385281689.db2.gz YWHGKLPVQQPMAZ-NWDGAFQWSA-N 0 3 229.389 2.383 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnc([C@@H](C)O)s1 ZINC000289746535 385358133 /nfs/dbraw/zinc/35/81/33/385358133.db2.gz PRBVRDURQWBZDJ-FXPVBKGRSA-N 0 3 240.372 2.475 10 0 BEAEHN CCC[C@H](C(=O)N[C@H](C)C1CCCC1)N(C)C ZINC000179326797 385374425 /nfs/dbraw/zinc/37/44/25/385374425.db2.gz GRAHJBKLJOGPOR-DGCLKSJQSA-N 0 3 240.391 2.412 10 0 BEAEHN CCc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170863466 385451262 /nfs/dbraw/zinc/45/12/62/385451262.db2.gz MYUXNPQQRMHROI-CQSZACIVSA-N 0 3 246.354 2.025 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnc(C)nc1 ZINC000309186504 385459273 /nfs/dbraw/zinc/45/92/73/385459273.db2.gz OYEPDPUPELZYEN-NWDGAFQWSA-N 0 3 205.305 2.063 10 0 BEAEHN CC[C@@H](C)[C@H](C)NCc1nnc(C)n1CC ZINC000183037703 385501280 /nfs/dbraw/zinc/50/12/80/385501280.db2.gz JCSIIQNCRJHGMY-ZJUUUORDSA-N 0 3 224.352 2.131 10 0 BEAEHN CC[C@@H](C)[C@@H](C)NCc1nnc(C)n1CC ZINC000183037665 385502317 /nfs/dbraw/zinc/50/23/17/385502317.db2.gz JCSIIQNCRJHGMY-NXEZZACHSA-N 0 3 224.352 2.131 10 0 BEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1cccs1 ZINC000180601604 385533050 /nfs/dbraw/zinc/53/30/50/385533050.db2.gz XKJLHACUNOMCBC-ZJUUUORDSA-N 0 3 248.355 2.005 10 0 BEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000180601551 385533093 /nfs/dbraw/zinc/53/30/93/385533093.db2.gz XKJLHACUNOMCBC-VHSXEESVSA-N 0 3 248.355 2.005 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000037164322 385597816 /nfs/dbraw/zinc/59/78/16/385597816.db2.gz PLQDWJFDJVJENU-NEPJUHHUSA-N 0 3 241.281 2.358 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000052395689 385731944 /nfs/dbraw/zinc/73/19/44/385731944.db2.gz BALNFLLNRJMQGH-BDAKNGLRSA-N 0 3 240.734 2.125 10 0 BEAEHN CC/C=C/CCN1CCC[C@]1(C)C(=O)OC ZINC000186384978 385759844 /nfs/dbraw/zinc/75/98/44/385759844.db2.gz JSWFXBSFQNPJGP-URWSZGRFSA-N 0 3 225.332 2.370 10 0 BEAEHN CC(C)[C@H](CCO)N[C@H](C)c1cncs1 ZINC000123589984 385890963 /nfs/dbraw/zinc/89/09/63/385890963.db2.gz TUXOTGHOWATMMJ-ZJUUUORDSA-N 0 3 228.361 2.201 10 0 BEAEHN CCC[C@H]1CCC[C@H]1NCc1nccn1C ZINC000336738558 386106788 /nfs/dbraw/zinc/10/67/88/386106788.db2.gz OIZBZTITDNFVPZ-NWDGAFQWSA-N 0 3 221.348 2.479 10 0 BEAEHN CC(C)(N)c1cn(CCC2CCCCC2)nn1 ZINC000310077503 386077870 /nfs/dbraw/zinc/07/78/70/386077870.db2.gz XAFDIHCCCLMIFV-UHFFFAOYSA-N 0 3 236.363 2.442 10 0 BEAEHN Cc1cc(CN[C@H](CC(C)C)CN(C)C)on1 ZINC000310547258 386200882 /nfs/dbraw/zinc/20/08/82/386200882.db2.gz SSURDYQFFLKWLA-GFCCVEGCSA-N 0 3 239.363 2.049 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CN(C)C[C@H]2C)o1 ZINC000336742545 386200945 /nfs/dbraw/zinc/20/09/45/386200945.db2.gz OIXYXLXDKOOEFH-USWWRNFRSA-N 0 3 222.332 2.189 10 0 BEAEHN C[C@H](N[C@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787865 386298391 /nfs/dbraw/zinc/29/83/91/386298391.db2.gz YPFCJDTZJWGBEP-JQWIXIFHSA-N 0 3 234.347 2.281 10 0 BEAEHN C[C@@H](CO)[C@@H](C)NCc1ccccc1Cl ZINC000125764263 386311038 /nfs/dbraw/zinc/31/10/38/386311038.db2.gz GGVRADGHKUAEPL-VHSXEESVSA-N 0 3 227.735 2.447 10 0 BEAEHN CCC[C@](C)(N)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366344860 386378043 /nfs/dbraw/zinc/37/80/43/386378043.db2.gz GHBKJDLETQDCFW-SCRDCRAPSA-N 0 3 238.375 2.295 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366344217 386378088 /nfs/dbraw/zinc/37/80/88/386378088.db2.gz FFARPEPLDYMTHL-SDDRHHMPSA-N 0 3 238.375 2.151 10 0 BEAEHN COc1ccc([C@H](N)CF)c(Br)c1 ZINC000521401016 386448964 /nfs/dbraw/zinc/44/89/64/386448964.db2.gz VIJSKJWREVRBBK-SECBINFHSA-N 0 3 248.095 2.427 10 0 BEAEHN CC1(C)CCC(C)(C)C1(N)c1ncc[nH]1 ZINC000521400856 386450806 /nfs/dbraw/zinc/45/08/06/386450806.db2.gz FNKMXHABIYUSPB-UHFFFAOYSA-N 0 3 207.321 2.410 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399112526 386415348 /nfs/dbraw/zinc/41/53/48/386415348.db2.gz ZMKCVXYQEHZNRJ-FZMZJTMJSA-N 0 3 246.354 2.300 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000519613931 386511194 /nfs/dbraw/zinc/51/11/94/386511194.db2.gz NLMSQBBXOWQJIH-YVECIDJPSA-N 0 3 238.375 2.069 10 0 BEAEHN C[C@H]1Oc2c(cc(Cl)cc2F)[C@@H]1N ZINC000307414804 386644622 /nfs/dbraw/zinc/64/46/22/386644622.db2.gz JZSVQOBLPJCAGD-SPGJFGJESA-N 0 3 201.628 2.260 10 0 BEAEHN C[C@@H]1OCC[C@@H]1N[C@H](CN(C)C)c1ccccc1 ZINC000245955774 386612359 /nfs/dbraw/zinc/61/23/59/386612359.db2.gz QNQLIGWSIBXMCF-AEGPPILISA-N 0 3 248.370 2.056 10 0 BEAEHN CC[C@H](N)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000050348679 386671031 /nfs/dbraw/zinc/67/10/31/386671031.db2.gz IIWLBHQUWIHFBA-NSHDSACASA-N 0 3 226.364 2.008 10 0 BEAEHN C[C@H](NC[C@H]1CCCC[C@H]1O)c1ccco1 ZINC000247038725 386696632 /nfs/dbraw/zinc/69/66/32/386696632.db2.gz PRZYKHIHTPSNCI-QJPTWQEYSA-N 0 3 223.316 2.481 10 0 BEAEHN NC[C@@H](N)c1cccc(C(F)(F)F)c1Cl ZINC000044470327 386779935 /nfs/dbraw/zinc/77/99/35/386779935.db2.gz TUUQXTXIOQPCPT-SSDOTTSWSA-N 0 3 238.640 2.317 10 0 BEAEHN COc1ccc([C@]2(N)CCSC2)s1 ZINC000575454394 386828843 /nfs/dbraw/zinc/82/88/43/386828843.db2.gz VTHNUABLAARKIO-VIFPVBQESA-N 0 3 215.343 2.048 10 0 BEAEHN Cc1nnsc1-c1ccsc1CN ZINC000575453651 386834724 /nfs/dbraw/zinc/83/47/24/386834724.db2.gz RERZFJPDXFPEML-UHFFFAOYSA-N 0 3 211.315 2.034 10 0 BEAEHN C[C@@H]1CC2(CCC2)CN1C[C@@H](O)C(F)(F)F ZINC000335747227 386869186 /nfs/dbraw/zinc/86/91/86/386869186.db2.gz HQZASUICNCXOKG-RKDXNWHRSA-N 0 3 237.265 2.174 10 0 BEAEHN C[C@H]1CC2(CCC2)CN1C[C@H](O)C(F)(F)F ZINC000335747226 386870027 /nfs/dbraw/zinc/87/00/27/386870027.db2.gz HQZASUICNCXOKG-IUCAKERBSA-N 0 3 237.265 2.174 10 0 BEAEHN Clc1cc(N2CCN3CCC2CC3)ccn1 ZINC000302791990 386935870 /nfs/dbraw/zinc/93/58/70/386935870.db2.gz YSQPQGMBIQYZKU-UHFFFAOYSA-N 0 3 237.734 2.019 10 0 BEAEHN Cc1ncsc1[C@H](N)[C@@]1(C)C[C@@H]1F ZINC000575457682 387030833 /nfs/dbraw/zinc/03/08/33/387030833.db2.gz KWSSLPDNYLWHBH-XVYDVKMFSA-N 0 3 200.282 2.199 10 0 BEAEHN Cc1nc([C@@]2(N)CCS[C@H]2C)cs1 ZINC000575462335 387033648 /nfs/dbraw/zinc/03/36/48/387033648.db2.gz BMCDLRQQFHXEGI-IMTBSYHQSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1nccs1 ZINC000246368105 387080035 /nfs/dbraw/zinc/08/00/35/387080035.db2.gz IZSUFPGBTZPSGB-GARJFASQSA-N 0 3 240.372 2.345 10 0 BEAEHN COc1ccccc1[C@H](N)CC(F)F ZINC000575437776 387110527 /nfs/dbraw/zinc/11/05/27/387110527.db2.gz UEHSTOIZSXNQML-MRVPVSSYSA-N 0 3 201.216 2.350 10 0 BEAEHN Nc1ccc(Cl)cc1[C@H](N)CCF ZINC000575438952 387121322 /nfs/dbraw/zinc/12/13/22/387121322.db2.gz NJUYGPWJFWEYHL-SECBINFHSA-N 0 3 202.660 2.282 10 0 BEAEHN COc1ccc([C@@H](N)CC(F)F)c(OC)c1 ZINC000575439094 387121664 /nfs/dbraw/zinc/12/16/64/387121664.db2.gz PEGZNSHILDAJAW-VIFPVBQESA-N 0 3 231.242 2.359 10 0 BEAEHN N[C@H](CCF)c1c(F)cc(F)cc1F ZINC000575440295 387128057 /nfs/dbraw/zinc/12/80/57/387128057.db2.gz ZZHOFJZIRAFKAJ-MRVPVSSYSA-N 0 3 207.170 2.463 10 0 BEAEHN N[C@H](CCF)c1cccc2c1OC(F)(F)O2 ZINC000575438428 387129507 /nfs/dbraw/zinc/12/95/07/387129507.db2.gz IVTXSZJMPPTVRU-SSDOTTSWSA-N 0 3 233.189 2.368 10 0 BEAEHN CC1(C)C[C@]1(N)c1ccncc1Br ZINC000575592894 387220212 /nfs/dbraw/zinc/22/02/12/387220212.db2.gz YRWWAQLVVNTFFX-JTQLQIEISA-N 0 3 241.132 2.428 10 0 BEAEHN C[C@@H]1OCC[C@@H]1NC/C=C/c1ccccc1 ZINC000121146794 387302953 /nfs/dbraw/zinc/30/29/53/387302953.db2.gz APPSUDURCUISPS-PDCFVHEKSA-N 0 3 217.312 2.467 10 0 BEAEHN F[C@H](c1cncs1)[C@@H]1CCCCN1 ZINC000575517669 387431458 /nfs/dbraw/zinc/43/14/58/387431458.db2.gz GXHUGBBDYZAZLS-CBAPKCEASA-N 0 3 200.282 2.296 10 0 BEAEHN CN(C)C[C@H](O)c1ccc2ccccc2c1 ZINC000042246076 387508946 /nfs/dbraw/zinc/50/89/46/387508946.db2.gz LXZIUNWZCWFKGX-AWEZNQCLSA-N 0 3 215.296 2.435 10 0 BEAEHN c1ncc(CN2CC[C@@H]3CCCC[C@@H]32)cn1 ZINC000124388326 387615435 /nfs/dbraw/zinc/61/54/35/387615435.db2.gz VNUYHWKMKUMAHV-STQMWFEESA-N 0 3 217.316 2.241 10 0 BEAEHN CCSCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000122926979 387616262 /nfs/dbraw/zinc/61/62/62/387616262.db2.gz ROPNMUIYZYGDFC-NWDGAFQWSA-N 0 3 229.389 2.383 10 0 BEAEHN C[C@@H]1CN[C@@]2(CC[C@@H](C)SC2)S1 ZINC000575533701 387554167 /nfs/dbraw/zinc/55/41/67/387554167.db2.gz DYYLPPORJHSOEM-HLTSFMKQSA-N 0 3 203.376 2.323 10 0 BEAEHN CC[C@H](N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000037768122 387568071 /nfs/dbraw/zinc/56/80/71/387568071.db2.gz VYFPOZCRSCNRRY-NSHDSACASA-N 0 3 245.282 2.017 10 0 BEAEHN C[C@](N)(c1ccsc1)c1cnsc1 ZINC000575548178 387643837 /nfs/dbraw/zinc/64/38/37/387643837.db2.gz BSCVAMPHSSYSJO-VIFPVBQESA-N 0 3 210.327 2.427 10 0 BEAEHN Cc1nn(C)cc1CNCCc1ccsc1 ZINC000125948080 387668112 /nfs/dbraw/zinc/66/81/12/387668112.db2.gz NQYZUNGJOVPAJU-UHFFFAOYSA-N 0 3 235.356 2.122 10 0 BEAEHN C/C=C/[C@H](N)c1ccncc1Br ZINC000575562675 387704321 /nfs/dbraw/zinc/70/43/21/387704321.db2.gz AWCFFWQRJRZVAB-HPOULIHZSA-N 0 3 227.105 2.420 10 0 BEAEHN C[C@H]1SCCC[C@]1(N)c1cnsc1 ZINC000575567114 387736104 /nfs/dbraw/zinc/73/61/04/387736104.db2.gz XAZATJOPKUHJTA-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1SCCC[C@]1(N)c1cnsc1 ZINC000575567112 387736693 /nfs/dbraw/zinc/73/66/93/387736693.db2.gz XAZATJOPKUHJTA-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1SCCC[C@]1(N)c1cncs1 ZINC000575567515 387736931 /nfs/dbraw/zinc/73/69/31/387736931.db2.gz YAAVYLBVCXTDDN-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1SCCC[C@@]1(N)c1cnsc1 ZINC000575567110 387737008 /nfs/dbraw/zinc/73/70/08/387737008.db2.gz XAZATJOPKUHJTA-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@H]1SCCC[C@]1(N)c1ccsn1 ZINC000575571196 387742084 /nfs/dbraw/zinc/74/20/84/387742084.db2.gz IFRAPEHSRQLUPI-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN CCC[C@@H](N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050393652 387793531 /nfs/dbraw/zinc/79/35/31/387793531.db2.gz HCBGBHQUUWGMEK-ZIAGYGMSSA-N 0 3 246.354 2.396 10 0 BEAEHN C1=CO[C@H](CN2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000193759840 387863217 /nfs/dbraw/zinc/86/32/17/387863217.db2.gz YAXOHEIANJUUAM-IHRRRGAJSA-N 0 3 237.343 2.323 10 0 BEAEHN C1=CO[C@H](CN2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000193759815 387863540 /nfs/dbraw/zinc/86/35/40/387863540.db2.gz YAXOHEIANJUUAM-MJBXVCDLSA-N 0 3 237.343 2.323 10 0 BEAEHN Cc1occc1CNC[C@H]1CCCC[C@H]1O ZINC000321042135 387936352 /nfs/dbraw/zinc/93/63/52/387936352.db2.gz ZORWYCLLMUJFGW-CHWSQXEVSA-N 0 3 223.316 2.229 10 0 BEAEHN COC[C@H](C)N1CCC[C@H]1c1ccco1 ZINC000245461988 387948290 /nfs/dbraw/zinc/94/82/90/387948290.db2.gz WRVMWWPXRBFTES-QWRGUYRKSA-N 0 3 209.289 2.451 10 0 BEAEHN COCCCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000245872909 387990685 /nfs/dbraw/zinc/99/06/85/387990685.db2.gz XCCGVGOTAFCVGT-ZIAGYGMSSA-N 0 3 241.375 2.447 10 0 BEAEHN CN(Cc1ccco1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245846751 387986056 /nfs/dbraw/zinc/98/60/56/387986056.db2.gz LJBXHOVVNONRET-LSDHHAIUSA-N 0 3 243.306 2.370 10 0 BEAEHN C[C@@H]1C[C@@H](CN[C@@H]2CCn3ccnc32)C[C@H](C)O1 ZINC000453204964 388009697 /nfs/dbraw/zinc/00/96/97/388009697.db2.gz CEPCUUDCXKPSLD-YVECIDJPSA-N 0 3 249.358 2.121 10 0 BEAEHN CN[C@]1(c2nc(C)c(C)s2)CCSC1 ZINC000041060587 388018316 /nfs/dbraw/zinc/01/83/16/388018316.db2.gz WBYQFZLRAPYZIO-SNVBAGLBSA-N 0 3 228.386 2.312 10 0 BEAEHN c1n[nH]cc1CN[C@@H]1CCc2ccccc21 ZINC000038005821 388099046 /nfs/dbraw/zinc/09/90/46/388099046.db2.gz RQFXHIVARGDJJK-CYBMUJFWSA-N 0 3 213.284 2.187 10 0 BEAEHN CN(C)C[C@@H](O)c1cccc2ccccc21 ZINC000002014910 388142347 /nfs/dbraw/zinc/14/23/47/388142347.db2.gz CYGCSVLDTXQNDW-CQSZACIVSA-N 0 3 215.296 2.435 10 0 BEAEHN CC[C@@H](NCCn1cncn1)c1cccc(F)c1 ZINC000275895772 388346085 /nfs/dbraw/zinc/34/60/85/388346085.db2.gz RKLRODVIFSTSRG-CYBMUJFWSA-N 0 3 248.305 2.158 10 0 BEAEHN CNC(C)(C)c1cncn1Cc1ccccc1 ZINC000229031716 388389888 /nfs/dbraw/zinc/38/98/88/388389888.db2.gz AZDZUQKAIBUOBE-UHFFFAOYSA-N 0 3 229.327 2.386 10 0 BEAEHN Cc1nnc(CN[C@@H]2CCC[C@@H]2CCF)s1 ZINC000393788688 388441952 /nfs/dbraw/zinc/44/19/52/388441952.db2.gz BXYPOXVDJLZOSA-NXEZZACHSA-N 0 3 243.351 2.464 10 0 BEAEHN CC[C@@H](N)c1nc2c(s1)CSCC2 ZINC000042335326 388443407 /nfs/dbraw/zinc/44/34/07/388443407.db2.gz LYKAJPNEMRLSDG-ZCFIWIBFSA-N 0 3 214.359 2.342 10 0 BEAEHN Cc1ccc([C@@H](C)NCc2c[nH]nn2)cc1C ZINC000296279410 388420615 /nfs/dbraw/zinc/42/06/15/388420615.db2.gz KVOKGNGEFWCLDR-LLVKDONJSA-N 0 3 230.315 2.272 10 0 BEAEHN Cc1ccc([C@H](C)NCc2c[nH]nn2)c(C)c1 ZINC000296348355 388422944 /nfs/dbraw/zinc/42/29/44/388422944.db2.gz QWLWTCONFAMPCB-NSHDSACASA-N 0 3 230.315 2.272 10 0 BEAEHN CCc1ccc(CN[C@H](C)[C@H]2CCCO2)nc1 ZINC000345102972 388510633 /nfs/dbraw/zinc/51/06/33/388510633.db2.gz OUTMESNILOSISL-BXUZGUMPSA-N 0 3 234.343 2.301 10 0 BEAEHN COc1cc(F)cc(CN[C@H]2C[C@H]2C)c1 ZINC000312285690 388511503 /nfs/dbraw/zinc/51/15/03/388511503.db2.gz QMIQSEBLLPILPN-PELKAZGASA-N 0 3 209.264 2.332 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000517039814 256812932 /nfs/dbraw/zinc/81/29/32/256812932.db2.gz KHTKMZOPZJXQMQ-SNVBAGLBSA-N 0 3 248.326 2.022 10 0 BEAEHN CSCc1nc(C)c([C@H](C)N)s1 ZINC000054496939 388594241 /nfs/dbraw/zinc/59/42/41/388594241.db2.gz IMOATFFZQYFFGS-YFKPBYRVSA-N 0 3 202.348 2.334 10 0 BEAEHN CCC[C@H](C(=O)N1CC[C@H](C)[C@@H](C)C1)N(C)C ZINC000245862478 388607589 /nfs/dbraw/zinc/60/75/89/388607589.db2.gz FPNGPWQDPDNFJK-RWMBFGLXSA-N 0 3 240.391 2.221 10 0 BEAEHN CCC[C@@H](C)CN1CCN(CCOC)[C@@H](C)C1 ZINC000245845487 388607738 /nfs/dbraw/zinc/60/77/38/388607738.db2.gz LANBPBHNSJPDPC-KGLIPLIRSA-N 0 3 242.407 2.075 10 0 BEAEHN CCCC(=O)N[C@H]1CCCN([C@H](C)CC)C1 ZINC000248373497 388676105 /nfs/dbraw/zinc/67/61/05/388676105.db2.gz JJMCZALUEREYPX-NEPJUHHUSA-N 0 3 226.364 2.166 10 0 BEAEHN N[C@@H](CCF)c1ccc(F)c(F)c1F ZINC000575439783 388630107 /nfs/dbraw/zinc/63/01/07/388630107.db2.gz YGABBYPGDMVHCA-ZETCQYMHSA-N 0 3 207.170 2.463 10 0 BEAEHN Cc1ccoc1CNCC1(CCO)CCC1 ZINC000124452649 388663508 /nfs/dbraw/zinc/66/35/08/388663508.db2.gz SXGMVPDURZFWFM-UHFFFAOYSA-N 0 3 223.316 2.230 10 0 BEAEHN CCc1ccc(CN(C)[C@@H](C)CO)s1 ZINC000124686929 388664525 /nfs/dbraw/zinc/66/45/25/388664525.db2.gz IKJGDVFFYVCWTA-VIFPVBQESA-N 0 3 213.346 2.123 10 0 BEAEHN CCCC[C@@H](CC)CN1CCCNC(=O)[C@H]1C ZINC000248946572 388700807 /nfs/dbraw/zinc/70/08/07/388700807.db2.gz CJYMNLNAYMLKAM-CHWSQXEVSA-N 0 3 240.391 2.413 10 0 BEAEHN CSCCCCNCc1ccc(CO)o1 ZINC000126905882 388707756 /nfs/dbraw/zinc/70/77/56/388707756.db2.gz CFQZJSDJWMKTOO-UHFFFAOYSA-N 0 3 229.345 2.005 10 0 BEAEHN CC(C)n1nccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000337202140 388849472 /nfs/dbraw/zinc/84/94/72/388849472.db2.gz GPCJYVNYSFHBCL-YPMHNXCESA-N 0 3 237.347 2.121 10 0 BEAEHN NCc1cc(Br)cc2c1OCCC2 ZINC000575493547 388948234 /nfs/dbraw/zinc/94/82/34/388948234.db2.gz QRPVZXYWQVEDGZ-UHFFFAOYSA-N 0 3 242.116 2.233 10 0 BEAEHN Cc1cncc([C@H](C)N[C@@H]2CCO[C@H]2C)c1 ZINC000274326795 389046235 /nfs/dbraw/zinc/04/62/35/389046235.db2.gz AAIZHZBCYSWJTG-GMXVVIOVSA-N 0 3 220.316 2.218 10 0 BEAEHN CCN(C)[C@H](CN)c1ccccc1Cl ZINC000020225925 169713663 /nfs/dbraw/zinc/71/36/63/169713663.db2.gz YFCPAEVFUXKSLZ-LLVKDONJSA-N 0 3 212.724 2.292 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000011959701 132321038 /nfs/dbraw/zinc/32/10/38/132321038.db2.gz AYBPAYUGFJBCBG-FZMZJTMJSA-N 0 3 246.354 2.339 10 0 BEAEHN CCOc1ccccc1N1CCNC[C@H]1CC ZINC000016945104 132323703 /nfs/dbraw/zinc/32/37/03/132323703.db2.gz SKVNDSXLMYGVJI-GFCCVEGCSA-N 0 3 234.343 2.274 10 0 BEAEHN C[C@H](N)c1c(F)cccc1N1CCO[C@@H](C)C1 ZINC000019872141 132328597 /nfs/dbraw/zinc/32/85/97/132328597.db2.gz BLWGSZVGANSYJO-UWVGGRQHSA-N 0 3 238.306 2.071 10 0 BEAEHN Nc1ccccc1N1CCN(C2CCCC2)CC1 ZINC000020265409 132330374 /nfs/dbraw/zinc/33/03/74/132330374.db2.gz SCWMQIQXCPCHJY-UHFFFAOYSA-N 0 3 245.370 2.333 10 0 BEAEHN CC[C@H]1CNCCN1c1ccc(F)c(F)c1 ZINC000034633014 132336784 /nfs/dbraw/zinc/33/67/84/132336784.db2.gz WJGWDBUQGYXBAG-VIFPVBQESA-N 0 3 226.270 2.153 10 0 BEAEHN C[C@@H](N)c1c(F)cccc1N1CCO[C@H](C)C1 ZINC000035438967 132338554 /nfs/dbraw/zinc/33/85/54/132338554.db2.gz BLWGSZVGANSYJO-NXEZZACHSA-N 0 3 238.306 2.071 10 0 BEAEHN Cc1ccc(CN)c(N2CCC[C@@H](C)C2)n1 ZINC000043395462 132352858 /nfs/dbraw/zinc/35/28/58/132352858.db2.gz GOJBTTSLCQDTOU-SNVBAGLBSA-N 0 3 219.332 2.085 10 0 BEAEHN CC[C@H](C)CN1CCN(c2ccccc2N)CC1 ZINC000050425195 132358951 /nfs/dbraw/zinc/35/89/51/132358951.db2.gz DSMMFWCWYCOFKX-ZDUSSCGKSA-N 0 3 247.386 2.437 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(c2ccnc(CN)c2)C1 ZINC000051396428 132360197 /nfs/dbraw/zinc/36/01/97/132360197.db2.gz BWNPSHPLZLDTET-PHIMTYICSA-N 0 3 219.332 2.023 10 0 BEAEHN Cc1ccc(CN)c(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000051578568 132361192 /nfs/dbraw/zinc/36/11/92/132361192.db2.gz PGRRIKGUAGECNZ-TXEJJXNPSA-N 0 3 234.343 2.067 10 0 BEAEHN Cc1ccc(CN)c(N2CCCC[C@@H]2CCO)c1 ZINC000051578625 132361430 /nfs/dbraw/zinc/36/14/30/132361430.db2.gz QASUTORVQVWIAG-CQSZACIVSA-N 0 3 248.370 2.195 10 0 BEAEHN Cc1nnc(N2CC[C@@H](C)C[C@@H]2C)c(CN)c1C ZINC000051728471 132361544 /nfs/dbraw/zinc/36/15/44/132361544.db2.gz OOKVDTCZBMUQCD-ZJUUUORDSA-N 0 3 248.374 2.177 10 0 BEAEHN C[C@@H]1C[C@@H]1N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000052274759 132362238 /nfs/dbraw/zinc/36/22/38/132362238.db2.gz ZLMOCIFNQXGZRH-ADEWGFFLSA-N 0 3 230.311 2.092 10 0 BEAEHN C[C@H]1CN(c2ccc(Cl)cc2CN)CCO1 ZINC000052856526 132362599 /nfs/dbraw/zinc/36/25/99/132362599.db2.gz CVRXRBRNMFXTID-VIFPVBQESA-N 0 3 240.734 2.024 10 0 BEAEHN C[C@H]1CN(c2ccccc2Cl)CCN1 ZINC000054348308 132364099 /nfs/dbraw/zinc/36/40/99/132364099.db2.gz JKUQCMILVKWXCT-VIFPVBQESA-N 0 3 210.708 2.138 10 0 BEAEHN C[C@@H]1CN[C@@H](C)CN1c1c(F)cccc1F ZINC000071532813 132393430 /nfs/dbraw/zinc/39/34/30/132393430.db2.gz OWGDIIQFZOJFFN-DTWKUNHWSA-N 0 3 226.270 2.151 10 0 BEAEHN C[C@@H](N[C@@H](C)C1CC1)c1nnc2n1CCCC2 ZINC000177386762 134297537 /nfs/dbraw/zinc/29/75/37/134297537.db2.gz UQFHGNZCXRRBQU-VHSXEESVSA-N 0 3 234.347 2.064 10 0 BEAEHN C[C@@H](N[C@H](C)C1CC1)c1nnc2n1CCCC2 ZINC000177386788 134297860 /nfs/dbraw/zinc/29/78/60/134297860.db2.gz UQFHGNZCXRRBQU-NXEZZACHSA-N 0 3 234.347 2.064 10 0 BEAEHN Cc1cccnc1CN1CCCN(C2CC2)CC1 ZINC000180455684 134327547 /nfs/dbraw/zinc/32/75/47/134327547.db2.gz GJMJSTVRUQCOJA-UHFFFAOYSA-N 0 3 245.370 2.060 10 0 BEAEHN Cc1nccc(CNCCCCOC(C)C)n1 ZINC000224990987 134352410 /nfs/dbraw/zinc/35/24/10/134352410.db2.gz WJSKPLAYTGGBCW-UHFFFAOYSA-N 0 3 237.347 2.080 10 0 BEAEHN OCC[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000229350597 134451151 /nfs/dbraw/zinc/45/11/51/134451151.db2.gz OWIVLJPMCWGBQQ-LBPRGKRZSA-N 0 3 242.322 2.444 10 0 BEAEHN CC[C@H](C)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000248550166 135003640 /nfs/dbraw/zinc/00/36/40/135003640.db2.gz KGMBXMIFARLQQX-QWRGUYRKSA-N 0 3 222.336 2.378 10 0 BEAEHN CC[C@H](C)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000248550166 135003641 /nfs/dbraw/zinc/00/36/41/135003641.db2.gz KGMBXMIFARLQQX-QWRGUYRKSA-N 0 3 222.336 2.378 10 0 BEAEHN c1cncc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000269901658 135365000 /nfs/dbraw/zinc/36/50/00/135365000.db2.gz FUKRSAMWHQDBHZ-BFHYXJOUSA-N 0 3 244.338 2.129 10 0 BEAEHN CCOc1ccc(CN2CCC[C@H](O)[C@@H]2C)cc1 ZINC000295118452 397758504 /nfs/dbraw/zinc/75/85/04/397758504.db2.gz WZNLNGUIVHYVLL-WFASDCNBSA-N 0 3 249.354 2.431 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ccno2)CC1 ZINC000616686386 397928221 /nfs/dbraw/zinc/92/82/21/397928221.db2.gz JCZQZBGRELVKML-JTQLQIEISA-N 0 3 224.304 2.237 10 0 BEAEHN N[C@]1(c2ccns2)CCCSCC1 ZINC000575454454 397940950 /nfs/dbraw/zinc/94/09/50/397940950.db2.gz YJTMVAAJPXABRX-SECBINFHSA-N 0 3 214.359 2.214 10 0 BEAEHN N[C@@H](C[C@H]1CCCCO1)c1ccsn1 ZINC000307160600 397992617 /nfs/dbraw/zinc/99/26/17/397992617.db2.gz DUCSAEFQTNZGOI-BDAKNGLRSA-N 0 3 212.318 2.102 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000054073764 398025466 /nfs/dbraw/zinc/02/54/66/398025466.db2.gz WWNARNAQJQKVHS-OCCSQVGLSA-N 0 3 248.370 2.498 10 0 BEAEHN CCCc1ccccc1NC(=O)[C@@H](C)NC ZINC000054073391 398025651 /nfs/dbraw/zinc/02/56/51/398025651.db2.gz WZJFRFJYEBRMFE-SNVBAGLBSA-N 0 3 220.316 2.186 10 0 BEAEHN CNCc1nc2cc(Cl)c(C)cc2[nH]1 ZINC000584645771 398085746 /nfs/dbraw/zinc/08/57/46/398085746.db2.gz DTAZIQQRZJPHBN-UHFFFAOYSA-N 0 3 209.680 2.244 10 0 BEAEHN CNCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000584645771 398085748 /nfs/dbraw/zinc/08/57/48/398085748.db2.gz DTAZIQQRZJPHBN-UHFFFAOYSA-N 0 3 209.680 2.244 10 0 BEAEHN CC(C)[C@@H]1CCCCN1C[C@H](O)C(F)(F)F ZINC000121344090 398087913 /nfs/dbraw/zinc/08/79/13/398087913.db2.gz GABDFEIAWIFYHV-UWVGGRQHSA-N 0 3 239.281 2.420 10 0 BEAEHN c1cnn(CCN2CCC[C@@H]2c2ccco2)c1 ZINC000116291737 398090196 /nfs/dbraw/zinc/09/01/96/398090196.db2.gz OTAOOEFELKNKAX-GFCCVEGCSA-N 0 3 231.299 2.313 10 0 BEAEHN CC(C)[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662347762 409664889 /nfs/dbraw/zinc/66/48/89/409664889.db2.gz NACIENGGJXWYMC-SNVBAGLBSA-N 0 3 232.327 2.064 10 0 BEAEHN Brc1occc1[C@H]1CCCN1 ZINC000083299389 166108241 /nfs/dbraw/zinc/10/82/41/166108241.db2.gz QFQGFESNHCCHLJ-SSDOTTSWSA-N 0 3 216.078 2.467 10 0 BEAEHN CC(C)CN[C@@H](C)c1nnc2n1CCCCC2 ZINC000035229506 167012719 /nfs/dbraw/zinc/01/27/19/167012719.db2.gz YCOUYGRPGHTKAM-NSHDSACASA-N 0 3 236.363 2.311 10 0 BEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000155563334 167028392 /nfs/dbraw/zinc/02/83/92/167028392.db2.gz AJFOQEDAKZSYLT-OCCSQVGLSA-N 0 3 246.354 2.145 10 0 BEAEHN CC(C)NC1(c2nccs2)CCOCC1 ZINC000041061563 167093881 /nfs/dbraw/zinc/09/38/81/167093881.db2.gz AOLHPHYPIBMKPZ-UHFFFAOYSA-N 0 3 226.345 2.147 10 0 BEAEHN CC(C)NCc1c[nH]c(COc2ccccc2)n1 ZINC000062821333 167116468 /nfs/dbraw/zinc/11/64/68/167116468.db2.gz ZBTRDPLSGCJDKY-UHFFFAOYSA-N 0 3 245.326 2.487 10 0 BEAEHN CC(C)NCc1cnc(COc2ccccc2)[nH]1 ZINC000062821333 167116471 /nfs/dbraw/zinc/11/64/71/167116471.db2.gz ZBTRDPLSGCJDKY-UHFFFAOYSA-N 0 3 245.326 2.487 10 0 BEAEHN CC(C)NCc1cnc(-c2cnccn2)s1 ZINC000040996755 167121439 /nfs/dbraw/zinc/12/14/39/167121439.db2.gz MUAVVIUDNPXLHD-UHFFFAOYSA-N 0 3 234.328 2.098 10 0 BEAEHN CC(C)N[C@@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037869427 167129465 /nfs/dbraw/zinc/12/94/65/167129465.db2.gz RPESFMZVCRZMHQ-CYBMUJFWSA-N 0 3 234.343 2.334 10 0 BEAEHN CC(C)N[C@H](c1nccs1)[C@H]1CCOC1 ZINC000041061539 167140396 /nfs/dbraw/zinc/14/03/96/167140396.db2.gz QPOUZYMXHRVKSY-UWVGGRQHSA-N 0 3 226.345 2.219 10 0 BEAEHN CC(C)N[C@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654451 167141164 /nfs/dbraw/zinc/14/11/64/167141164.db2.gz RAVHKCDGVSHINJ-JTQLQIEISA-N 0 3 235.283 2.237 10 0 BEAEHN CC(C)Oc1ccc([C@@H](O)CCN(C)C)cc1 ZINC000041146312 167299417 /nfs/dbraw/zinc/29/94/17/167299417.db2.gz JLVDDJSJYOCSBL-AWEZNQCLSA-N 0 3 237.343 2.459 10 0 BEAEHN CC(C)Oc1ccc2nc(CN)ccc2c1 ZINC000062572126 167305489 /nfs/dbraw/zinc/30/54/89/167305489.db2.gz SXAJCYLNIWKYKS-UHFFFAOYSA-N 0 3 216.284 2.481 10 0 BEAEHN CC(C)Oc1nc2c(cc1CN)CCCC2 ZINC000043409958 167314008 /nfs/dbraw/zinc/31/40/08/167314008.db2.gz IAWUKTOUVQZCQK-UHFFFAOYSA-N 0 3 220.316 2.206 10 0 BEAEHN CC(C)[C@@H](C)N(C)C(=O)C1(N)CCCCC1 ZINC000037504747 167362522 /nfs/dbraw/zinc/36/25/22/167362522.db2.gz CKKDILQTVBUHGO-LLVKDONJSA-N 0 3 226.364 2.151 10 0 BEAEHN CC(C)[C@@H](CN(C)C)N[C@H](C)c1ccccn1 ZINC000049195688 167394679 /nfs/dbraw/zinc/39/46/79/167394679.db2.gz GHNVCADAYLPREW-TZMCWYRMSA-N 0 3 235.375 2.318 10 0 BEAEHN CC(C)[C@@H](N)C(=O)Nc1ccc(F)c(F)c1F ZINC000019506319 167418322 /nfs/dbraw/zinc/41/83/22/167418322.db2.gz ZQHQVGFYRBCLNP-SNVBAGLBSA-N 0 3 246.232 2.026 10 0 BEAEHN CC(C)c1ccc([C@@H](C)N[C@H](C)C(N)=O)cc1 ZINC000035138482 167612196 /nfs/dbraw/zinc/61/21/96/167612196.db2.gz SMQLVNPHQHVTMH-GHMZBOCLSA-N 0 3 234.343 2.334 10 0 BEAEHN CC(C)c1csc([C@@H](N)[C@H]2CCOC2)n1 ZINC000041060057 167653528 /nfs/dbraw/zinc/65/35/28/167653528.db2.gz IHYVERNUUGOXGR-WPRPVWTQSA-N 0 3 226.345 2.303 10 0 BEAEHN OCC1CC(N[C@@H]2CCCc3ccc(O)cc32)C1 ZINC000658353324 411243903 /nfs/dbraw/zinc/24/39/03/411243903.db2.gz LRJHSIYJEZAKHH-MBRGGSNBSA-N 0 3 247.338 2.130 10 0 BEAEHN Cc1cnc([C@H](C)N[C@@H]2CCN(C)[C@H](C)C2)o1 ZINC000300711948 411189512 /nfs/dbraw/zinc/18/95/12/411189512.db2.gz CFEFUFSYDDKCEY-ADEWGFFLSA-N 0 3 237.347 2.116 10 0 BEAEHN C[C@@H]1CC[C@@H](NCc2ccccn2)CS1 ZINC000655683272 411223947 /nfs/dbraw/zinc/22/39/47/411223947.db2.gz BRNPHGSQRNCDSB-ZYHUDNBSSA-N 0 3 222.357 2.455 10 0 BEAEHN Cc1cccc2c1CC[C@H]2N[C@@H]1CCOC1 ZINC000129428152 411286888 /nfs/dbraw/zinc/28/68/88/411286888.db2.gz FVIUIDZKIGDCOD-BXUZGUMPSA-N 0 3 217.312 2.361 10 0 BEAEHN CN[C@@H](C)c1ccncc1Br ZINC000238335231 411295025 /nfs/dbraw/zinc/29/50/25/411295025.db2.gz GFHCDVNFANIQAO-LURJTMIESA-N 0 3 215.094 2.125 10 0 BEAEHN CC[C@@](C)(O)CN1CCc2c(cccc2OC)C1 ZINC000118979897 411261099 /nfs/dbraw/zinc/26/10/99/411261099.db2.gz PUIGXVYHUKXGLJ-OAHLLOKOSA-N 0 3 249.354 2.214 10 0 BEAEHN OCC1CC(N[C@@H]2CCCc3occc32)C1 ZINC000658351836 411354100 /nfs/dbraw/zinc/35/41/00/411354100.db2.gz ASNCGZASGXUIBV-RTYFJBAXSA-N 0 3 221.300 2.018 10 0 BEAEHN CC1CC(NCc2cn3c(n2)CCCC3)C1 ZINC000309783235 168146626 /nfs/dbraw/zinc/14/66/26/168146626.db2.gz NJUHMZMNSIFOSS-UHFFFAOYSA-N 0 3 219.332 2.108 10 0 BEAEHN C[C@H](NCC1(O)CCC(C)CC1)c1cn[nH]c1 ZINC000301905535 168166447 /nfs/dbraw/zinc/16/64/47/168166447.db2.gz SVCNNOMKDMLLDZ-AKJDGMEZSA-N 0 3 237.347 2.002 10 0 BEAEHN CC1CCN([C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044114837 168187852 /nfs/dbraw/zinc/18/78/52/168187852.db2.gz GEBPLKJJNJTQIB-ZFWWWQNUSA-N 0 3 247.338 2.213 10 0 BEAEHN CCC(C)(C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123249018 168261455 /nfs/dbraw/zinc/26/14/55/168261455.db2.gz GKJRJDWAGKFASB-VXGBXAGGSA-N 0 3 240.391 2.364 10 0 BEAEHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCOC1)CC2 ZINC000125942234 411409336 /nfs/dbraw/zinc/40/93/36/411409336.db2.gz DYAMITBGMNDTBP-YPMHNXCESA-N 0 3 221.275 2.192 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2cocn2)C1 ZINC000616648839 411411470 /nfs/dbraw/zinc/41/14/70/411411470.db2.gz DWWKQLGESZQYKQ-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](C(F)(F)F)C1 ZINC000616648847 411411566 /nfs/dbraw/zinc/41/15/66/411411566.db2.gz FNILTXBILYKXPG-QMMMGPOBSA-N 0 3 225.254 2.438 10 0 BEAEHN C[C@H]1CN(c2nccc3ccccc32)CCN1 ZINC000122804107 411435581 /nfs/dbraw/zinc/43/55/81/411435581.db2.gz KHSHAHYMECWJKM-NSHDSACASA-N 0 3 227.311 2.033 10 0 BEAEHN CCN(Cc1ccncc1)[C@@H](CN)c1ccco1 ZINC000042515369 169925856 /nfs/dbraw/zinc/92/58/56/169925856.db2.gz YVAWEYIFYSBGFQ-ZDUSSCGKSA-N 0 3 245.326 2.197 10 0 BEAEHN CCN1CC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000328200515 170013757 /nfs/dbraw/zinc/01/37/57/170013757.db2.gz RUQXYLCEWICUMR-WDEREUQCSA-N 0 3 208.305 2.024 10 0 BEAEHN CCN1CC[C@@H](N[C@H](C)c2ccsc2)C1 ZINC000328339216 170014614 /nfs/dbraw/zinc/01/46/14/170014614.db2.gz KIAZMQWXSLBHQD-ZYHUDNBSSA-N 0 3 224.373 2.493 10 0 BEAEHN CCNC(=O)CCN[C@H](C)c1ccc(C)c(C)c1 ZINC000135716928 170052830 /nfs/dbraw/zinc/05/28/30/170052830.db2.gz SOSFCFHMODYLAD-CYBMUJFWSA-N 0 3 248.370 2.480 10 0 BEAEHN CCNC(=O)CN[C@H]1CCCCc2ccccc21 ZINC000036780410 170066094 /nfs/dbraw/zinc/06/60/94/170066094.db2.gz GZZGCMIBCNXCDX-AWEZNQCLSA-N 0 3 246.354 2.180 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1ccc(F)cc1 ZINC000061287560 170107303 /nfs/dbraw/zinc/10/73/03/170107303.db2.gz VFBOAQOTFIFXSV-UHFFFAOYSA-N 0 3 224.279 2.152 10 0 BEAEHN CCNCc1cc(CN(CC)[C@H](C)CC)on1 ZINC000052451141 170125341 /nfs/dbraw/zinc/12/53/41/170125341.db2.gz VNDZUUIONXQBDA-LLVKDONJSA-N 0 3 239.363 2.405 10 0 BEAEHN CCNCc1cc2c(cc1OC(C)C)OCO2 ZINC000042874427 170125459 /nfs/dbraw/zinc/12/54/59/170125459.db2.gz SWLOJKVQHRQDKF-UHFFFAOYSA-N 0 3 237.299 2.312 10 0 BEAEHN CCNCc1ccc(Br)o1 ZINC000019507286 170126371 /nfs/dbraw/zinc/12/63/71/170126371.db2.gz ILCFTWDZCWNRED-UHFFFAOYSA-N 0 3 204.067 2.152 10 0 BEAEHN CCNCc1cc2ccccc2c(OC)n1 ZINC000051523672 170126587 /nfs/dbraw/zinc/12/65/87/170126587.db2.gz XCXJLFYVGFGZTL-UHFFFAOYSA-N 0 3 216.284 2.353 10 0 BEAEHN CCNCc1ccc(N2CCCCCCC2)nn1 ZINC000051437704 170127662 /nfs/dbraw/zinc/12/76/62/170127662.db2.gz NCSDDTUBQPORIV-UHFFFAOYSA-N 0 3 248.374 2.357 10 0 BEAEHN CCNCc1cccc(N2CCC[C@@H]2C)n1 ZINC000051398750 170128219 /nfs/dbraw/zinc/12/82/19/170128219.db2.gz AGIRDSNKILKSJJ-NSHDSACASA-N 0 3 219.332 2.180 10 0 BEAEHN CCNCc1ccnc(-c2cccs2)n1 ZINC000054791323 170129754 /nfs/dbraw/zinc/12/97/54/170129754.db2.gz MNOIPNPDAKXQNO-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1cnc(N(CC)CC)s1 ZINC000037184574 170130952 /nfs/dbraw/zinc/13/09/52/170130952.db2.gz USOUBNYJJGCDFP-UHFFFAOYSA-N 0 3 213.350 2.099 10 0 BEAEHN CCNCc1nc2ccccc2n1CC ZINC000037979089 170132147 /nfs/dbraw/zinc/13/21/47/170132147.db2.gz CLKNNUODHGHDKR-UHFFFAOYSA-N 0 3 203.289 2.166 10 0 BEAEHN CCNCc1sc([C@@H]2CCCO2)nc1C ZINC000062214220 170132416 /nfs/dbraw/zinc/13/24/16/170132416.db2.gz JALKWTVHVPVJOC-VIFPVBQESA-N 0 3 226.345 2.413 10 0 BEAEHN CCN[C@@H](C)c1cn2c(C)csc2n1 ZINC000076788357 170142249 /nfs/dbraw/zinc/14/22/49/170142249.db2.gz KDMFMPDTEFLCEA-QMMMGPOBSA-N 0 3 209.318 2.375 10 0 BEAEHN CCN[C@@H](C)c1nc2ccc(F)cc2n1C ZINC000062366599 170142800 /nfs/dbraw/zinc/14/28/00/170142800.db2.gz RXIRUUHAGYNVAT-QMMMGPOBSA-N 0 3 221.279 2.383 10 0 BEAEHN CCN[C@@H](CO)c1cccc(Br)c1 ZINC000038120370 170145213 /nfs/dbraw/zinc/14/52/13/170145213.db2.gz NZACPYFNQMVITC-JTQLQIEISA-N 0 3 244.132 2.092 10 0 BEAEHN CCN[C@@H](CO)c1ccc(OC)c(C(C)C)c1 ZINC000071548104 170145563 /nfs/dbraw/zinc/14/55/63/170145563.db2.gz YXILGUXMFSHLIK-ZDUSSCGKSA-N 0 3 237.343 2.462 10 0 BEAEHN CCN[C@@H](CO[C@@H]1CCOC1)c1ccccc1 ZINC000104102755 170146252 /nfs/dbraw/zinc/14/62/52/170146252.db2.gz NTNFBYCYLBXAKV-KGLIPLIRSA-N 0 3 235.327 2.143 10 0 BEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@@H]1COCCO1 ZINC000055300106 170147698 /nfs/dbraw/zinc/14/76/98/170147698.db2.gz SYSMLQOFUFOBSH-GJZGRUSLSA-N 0 3 249.354 2.315 10 0 BEAEHN CCN[C@H](c1cccc(C)c1)c1cncnc1 ZINC000052887186 170149677 /nfs/dbraw/zinc/14/96/77/170149677.db2.gz LGSABYZDGKIJTK-CQSZACIVSA-N 0 3 227.311 2.484 10 0 BEAEHN CCN[C@@H]1CCN([C@H](C)c2ccsc2)C1=O ZINC000061363815 170152448 /nfs/dbraw/zinc/15/24/48/170152448.db2.gz APZSZIYYEXWFJD-MWLCHTKSSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@@H]1CCOc2cc(F)cc(F)c21 ZINC000054931973 170152635 /nfs/dbraw/zinc/15/26/35/170152635.db2.gz UIYLYLYCDMNWNB-SECBINFHSA-N 0 3 213.227 2.398 10 0 BEAEHN CCN[C@@H]1CCOc2c(F)cc(F)cc21 ZINC000035653385 170153252 /nfs/dbraw/zinc/15/32/52/170153252.db2.gz PJKJSTJNOBVYES-SNVBAGLBSA-N 0 3 213.227 2.398 10 0 BEAEHN CCN[C@@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647115 170153319 /nfs/dbraw/zinc/15/33/19/170153319.db2.gz GBDWNOLCGJPFDJ-GFCCVEGCSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@@H]1CC[S@](=O)c2c(C)cccc21 ZINC000040988524 170154131 /nfs/dbraw/zinc/15/41/31/170154131.db2.gz JCLMCSIGOLITLG-IAQYHMDHSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@H](C)c1c(F)cccc1OCCCO ZINC000034845397 170159572 /nfs/dbraw/zinc/15/95/72/170159572.db2.gz OQINATUFYFIQNQ-SNVBAGLBSA-N 0 3 241.306 2.257 10 0 BEAEHN CCN[C@H](C)c1cn2cc(C)sc2n1 ZINC000076789945 170159783 /nfs/dbraw/zinc/15/97/83/170159783.db2.gz VPZSEDHEPGWXEN-MRVPVSSYSA-N 0 3 209.318 2.375 10 0 BEAEHN CCN[C@H](C)c1cnc(-c2cnn(C)c2)s1 ZINC000054160323 170160484 /nfs/dbraw/zinc/16/04/84/170160484.db2.gz ARQSQQLOFDNGKO-MRVPVSSYSA-N 0 3 236.344 2.214 10 0 BEAEHN CCN[C@](C)(CO)c1cccc(Cl)c1 ZINC000038120183 170170156 /nfs/dbraw/zinc/17/01/56/170170156.db2.gz QCWGIESPURXKKN-LLVKDONJSA-N 0 3 213.708 2.157 10 0 BEAEHN CCN[C@H](CO[C@@H]1CCOC1)c1ccccc1 ZINC000104102758 170162257 /nfs/dbraw/zinc/16/22/57/170162257.db2.gz NTNFBYCYLBXAKV-ZIAGYGMSSA-N 0 3 235.327 2.143 10 0 BEAEHN CCN[C@H](c1ccc(C)cc1C)[C@H]1COCCO1 ZINC000055299981 170163423 /nfs/dbraw/zinc/16/34/23/170163423.db2.gz RKICHPIMUIPRSE-HUUCEWRRSA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@H](c1cccnc1)c1ccc(C)nc1 ZINC000062949920 170165116 /nfs/dbraw/zinc/16/51/16/170165116.db2.gz SOFQSBCSJOFBAB-CQSZACIVSA-N 0 3 227.311 2.484 10 0 BEAEHN CCN[C@H](c1cnccn1)C1CCCC1 ZINC000037469127 170165209 /nfs/dbraw/zinc/16/52/09/170165209.db2.gz SIGJYGUALHGEIN-LBPRGKRZSA-N 0 3 205.305 2.317 10 0 BEAEHN CCN[C@H](c1cnn(C)c1)c1ccccc1C ZINC000035556094 170165350 /nfs/dbraw/zinc/16/53/50/170165350.db2.gz AVIHWPXCJIZNQI-CQSZACIVSA-N 0 3 229.327 2.427 10 0 BEAEHN CCN[C@H]1CCCc2nc(CSC)ncc21 ZINC000054497126 170166572 /nfs/dbraw/zinc/16/65/72/170166572.db2.gz ZPEHULBMEYMIFV-JTQLQIEISA-N 0 3 237.372 2.327 10 0 BEAEHN CCN[C@H]1CCN([C@@H](C)c2ccc(C)cc2)C1=O ZINC000049660300 170168218 /nfs/dbraw/zinc/16/82/18/170168218.db2.gz KKRNDMPBBVNEIW-JSGCOSHPSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@H]1COc2ccc(Br)cc21 ZINC000035657580 170168638 /nfs/dbraw/zinc/16/86/38/170168638.db2.gz TVNRVSZATDLTQU-VIFPVBQESA-N 0 3 242.116 2.492 10 0 BEAEHN CCNc1cc(CN2CCCC2)ccn1 ZINC000052709757 170171957 /nfs/dbraw/zinc/17/19/57/170171957.db2.gz QKAYDGXANKOTQI-UHFFFAOYSA-N 0 3 205.305 2.109 10 0 BEAEHN CCNc1ccc(CN2CCC[C@@H]2C)cn1 ZINC000050791682 170173471 /nfs/dbraw/zinc/17/34/71/170173471.db2.gz ZOKFKKQBLKSDRR-NSHDSACASA-N 0 3 219.332 2.498 10 0 BEAEHN CCNc1ncccc1CN1CCCC1 ZINC000052709745 170178474 /nfs/dbraw/zinc/17/84/74/170178474.db2.gz XDGXVBJXHJJBQH-UHFFFAOYSA-N 0 3 205.305 2.109 10 0 BEAEHN CCNc1ncccc1CN(C)C1CCOCC1 ZINC000052721714 170178714 /nfs/dbraw/zinc/17/87/14/170178714.db2.gz DXSNFHKMCUZVPM-UHFFFAOYSA-N 0 3 249.358 2.124 10 0 BEAEHN CCOC(=O)Nc1ccccc1[C@H](C)N ZINC000019389361 170243731 /nfs/dbraw/zinc/24/37/31/170243731.db2.gz YONYADQHBWDEPF-QMMMGPOBSA-N 0 3 208.261 2.275 10 0 BEAEHN OCC1CC(NCc2ccc(F)c(Cl)c2)C1 ZINC000657811144 411602890 /nfs/dbraw/zinc/60/28/90/411602890.db2.gz RQEFUXPDFWGOGZ-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1ccccc1F ZINC000657810738 411603125 /nfs/dbraw/zinc/60/31/25/411603125.db2.gz JNPGSMMYWXEIMD-WHXUTIOJSA-N 0 3 223.291 2.247 10 0 BEAEHN c1ccc(CN[C@@H]2CCCSCC2)nc1 ZINC000657814509 411604935 /nfs/dbraw/zinc/60/49/35/411604935.db2.gz APJLHUIZMRKSJR-LLVKDONJSA-N 0 3 222.357 2.457 10 0 BEAEHN CCCc1nccnc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000663662272 411717460 /nfs/dbraw/zinc/71/74/60/411717460.db2.gz TZMUKJKPDVFEES-NWDGAFQWSA-N 0 3 248.374 2.324 10 0 BEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(C)cc2)CCO1 ZINC000036769404 171093899 /nfs/dbraw/zinc/09/38/99/171093899.db2.gz MMXCHRVPIJTCLG-CABCVRRESA-N 0 3 248.370 2.106 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccc(F)c(F)c2)CN1 ZINC000036986271 171109731 /nfs/dbraw/zinc/10/97/31/171109731.db2.gz COFZICYWGKROAT-BXKDBHETSA-N 0 3 227.254 2.404 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2cccc(OC)c2)CN1 ZINC000036672746 171109767 /nfs/dbraw/zinc/10/97/67/171109767.db2.gz JIADQNGZVBEVIS-DGCLKSJQSA-N 0 3 221.300 2.135 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccc(F)cc2F)CN1 ZINC000036672814 171110837 /nfs/dbraw/zinc/11/08/37/171110837.db2.gz IVHMXKMVADTHSY-BXKDBHETSA-N 0 3 227.254 2.404 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2cc(C)oc2C)CN1 ZINC000036672702 171111268 /nfs/dbraw/zinc/11/12/68/171111268.db2.gz GQSUYZRITCCLJS-ZYHUDNBSSA-N 0 3 209.289 2.336 10 0 BEAEHN CC[C@@H]1CO[C@H](C)CN1CC1(CO)CCCC1 ZINC000051295468 171112353 /nfs/dbraw/zinc/11/23/53/171112353.db2.gz WCVPMVOIUMMGLV-CHWSQXEVSA-N 0 3 241.375 2.038 10 0 BEAEHN CC[C@@H]1CO[C@H](C)CN1CC(CC)(CC)CO ZINC000051295429 171112758 /nfs/dbraw/zinc/11/27/58/171112758.db2.gz GNEHJWDCVCXBFJ-CHWSQXEVSA-N 0 3 243.391 2.284 10 0 BEAEHN CC[C@@H]1CSC(NC[C@@H]2CCCCO2)=N1 ZINC000042823875 171113259 /nfs/dbraw/zinc/11/32/59/171113259.db2.gz QKNBWMDJWBXQOR-ZJUUUORDSA-N 0 3 228.361 2.027 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccccc2C)CN1 ZINC000036672824 171113379 /nfs/dbraw/zinc/11/33/79/171113379.db2.gz HMVXIIJPVOHBJL-YPMHNXCESA-N 0 3 205.301 2.435 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccc(F)cc2)CN1 ZINC000036986241 171114785 /nfs/dbraw/zinc/11/47/85/171114785.db2.gz KLWHMGCCOGAGLM-NEPJUHHUSA-N 0 3 209.264 2.265 10 0 BEAEHN CC[C@H](C)NCc1nc2ccccc2[nH]1 ZINC000037390473 171344081 /nfs/dbraw/zinc/34/40/81/171344081.db2.gz IPIBOMKGNZJBMZ-VIFPVBQESA-N 0 3 203.289 2.451 10 0 BEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1cc(C)ccc1C ZINC000049670762 171345012 /nfs/dbraw/zinc/34/50/12/171345012.db2.gz MANBTZYKHVEIAL-WCQYABFASA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@H](C)N[C@](CC)(C(N)=O)c1ccccc1 ZINC000038065697 171348923 /nfs/dbraw/zinc/34/89/23/171348923.db2.gz MHCSUHAVPAFWEU-FZMZJTMJSA-N 0 3 234.343 2.165 10 0 BEAEHN CC[C@H](C)Oc1cccc(F)c1C(=N)N ZINC000036307624 171356369 /nfs/dbraw/zinc/35/63/69/171356369.db2.gz GTQNQCXAIAOVPC-ZETCQYMHSA-N 0 3 210.252 2.287 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2c(c1)COC2 ZINC000182962835 171372119 /nfs/dbraw/zinc/37/21/19/171372119.db2.gz IEPUCKZLZRLCAE-TVQRCGJNSA-N 0 3 248.326 2.029 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(C)cc(C)n1 ZINC000038953721 171396422 /nfs/dbraw/zinc/39/64/22/171396422.db2.gz CSHZFHRZPSMFRY-CABZTGNLSA-N 0 3 235.331 2.010 10 0 BEAEHN CC[C@H](N)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000035411236 171492133 /nfs/dbraw/zinc/49/21/33/171492133.db2.gz ZMPMPWHCPORBKP-QMMMGPOBSA-N 0 3 247.298 2.134 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@H](C)C(C)(C)CC ZINC000662855910 412325399 /nfs/dbraw/zinc/32/53/99/412325399.db2.gz XALAEBUTSGWIJL-NXEZZACHSA-N 0 3 214.353 2.055 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)C(C)(C)CC ZINC000662855912 412325651 /nfs/dbraw/zinc/32/56/51/412325651.db2.gz XALAEBUTSGWIJL-VHSXEESVSA-N 0 3 214.353 2.055 10 0 BEAEHN CCc1ccc(CNC[C@@H](O)C(C)(C)C)o1 ZINC000133699509 171806701 /nfs/dbraw/zinc/80/67/01/171806701.db2.gz HPILEMABVIVNJB-GFCCVEGCSA-N 0 3 225.332 2.339 10 0 BEAEHN CCc1ncc(CN[C@H]2CCC[C@H](O)C2)s1 ZINC000037924636 172020403 /nfs/dbraw/zinc/02/04/03/172020403.db2.gz QTYMNYQWEUSXKS-UWVGGRQHSA-N 0 3 240.372 2.099 10 0 BEAEHN CCc1nccn1[C@H]1CCCN(CCC(C)=O)C1 ZINC000106217683 172029115 /nfs/dbraw/zinc/02/91/15/172029115.db2.gz NRUDSSFHPNHHAF-ZDUSSCGKSA-N 0 3 249.358 2.062 10 0 BEAEHN CCc1nccn1[C@H](CN)c1sccc1C ZINC000043249259 172029442 /nfs/dbraw/zinc/02/94/42/172029442.db2.gz YVNOXANEXAADIJ-SNVBAGLBSA-N 0 3 235.356 2.364 10 0 BEAEHN CCn1c2ccccc2nc1CNC1CC1 ZINC000022863912 172144195 /nfs/dbraw/zinc/14/41/95/172144195.db2.gz RKLFIYXCELQLRX-UHFFFAOYSA-N 0 3 215.300 2.308 10 0 BEAEHN CCn1c(CNC(C)(C)C)nc2cccnc21 ZINC000104323661 172144819 /nfs/dbraw/zinc/14/48/19/172144819.db2.gz INZAVLNIFHWRIQ-UHFFFAOYSA-N 0 3 232.331 2.339 10 0 BEAEHN CCn1cccc1CNCCOC(C)C ZINC000158943137 172207356 /nfs/dbraw/zinc/20/73/56/172207356.db2.gz JNVCEKDZRMKMSK-UHFFFAOYSA-N 0 3 210.321 2.023 10 0 BEAEHN CN1CCC[C@@H](Nc2ccc3c(c2)CCO3)C1 ZINC000076679439 173020813 /nfs/dbraw/zinc/02/08/13/173020813.db2.gz OXYXIVCRXLSCPP-CYBMUJFWSA-N 0 3 232.327 2.128 10 0 BEAEHN CN1CCN(CC/C=C/c2ccccc2)CC1 ZINC000026278759 173080018 /nfs/dbraw/zinc/08/00/18/173080018.db2.gz SXILFPQESHGEGQ-WEVVVXLNSA-N 0 3 230.355 2.337 10 0 BEAEHN CN1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000336144923 173085327 /nfs/dbraw/zinc/08/53/27/173085327.db2.gz ZEHQUIVMQDZENI-LLVKDONJSA-N 0 3 232.318 2.059 10 0 BEAEHN CN1CC[C@H](Nc2cccc(Cl)c2)C1 ZINC000061984633 173156192 /nfs/dbraw/zinc/15/61/92/173156192.db2.gz HKEUUDWVPNNXIJ-NSHDSACASA-N 0 3 210.708 2.456 10 0 BEAEHN CN1Cc2c(c(Cl)ccc2Cl)[C@@H]1CN ZINC000082702807 173200149 /nfs/dbraw/zinc/20/01/49/173200149.db2.gz MNOVYNHTMPZYMU-VIFPVBQESA-N 0 3 231.126 2.439 10 0 BEAEHN CN1Cc2ccccc2[C@](O)(c2ccccc2)C1 ZINC000026378481 173202846 /nfs/dbraw/zinc/20/28/46/173202846.db2.gz KEVNEIPRCIYVOT-MRXNPFEDSA-N 0 3 239.318 2.368 10 0 BEAEHN CNC(=O)CCN[C@H](C)c1cccc(Cl)c1 ZINC000044988085 173260177 /nfs/dbraw/zinc/26/01/77/173260177.db2.gz LFLKOXWNYLFTHG-SECBINFHSA-N 0 3 240.734 2.127 10 0 BEAEHN CNC(=O)CCN[C@H](C)c1ccc(C)c(C)c1 ZINC000044988495 173260362 /nfs/dbraw/zinc/26/03/62/173260362.db2.gz LEPAICXTQGNAPK-GFCCVEGCSA-N 0 3 234.343 2.090 10 0 BEAEHN CNC(=O)CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000037207551 173278036 /nfs/dbraw/zinc/27/80/36/173278036.db2.gz WATKTPWJMQEQOK-LLVKDONJSA-N 0 3 234.343 2.207 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1C ZINC000042560560 173295756 /nfs/dbraw/zinc/29/57/56/173295756.db2.gz BVZLURXTJFSSKV-VXGBXAGGSA-N 0 3 234.343 2.089 10 0 BEAEHN CNC(=O)[C@@H](C)Nc1cc(C)nc2ccccc21 ZINC000042571586 173295793 /nfs/dbraw/zinc/29/57/93/173295793.db2.gz XFLQMUKMAPLVSA-SNVBAGLBSA-N 0 3 243.310 2.090 10 0 BEAEHN CNC(=O)[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1C ZINC000042560575 173303208 /nfs/dbraw/zinc/30/32/08/173303208.db2.gz FPPDGPPGRCFVSU-STQMWFEESA-N 0 3 248.370 2.397 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cccc(SC)c1 ZINC000061300047 173319750 /nfs/dbraw/zinc/31/97/50/173319750.db2.gz WUBKSZYFGGUCBW-UHFFFAOYSA-N 0 3 238.356 2.345 10 0 BEAEHN CNC(C)(C)c1nc2cc(C)ccc2[nH]1 ZINC000061149787 173321268 /nfs/dbraw/zinc/32/12/68/173321268.db2.gz PDWVOVWHFXWWJV-UHFFFAOYSA-N 0 3 203.289 2.326 10 0 BEAEHN CNC(C)(C)c1nc2ccc(C)cc2[nH]1 ZINC000061149787 173321269 /nfs/dbraw/zinc/32/12/69/173321269.db2.gz PDWVOVWHFXWWJV-UHFFFAOYSA-N 0 3 203.289 2.326 10 0 BEAEHN CNC(C)(C)c1nc2cc(F)ccc2[nH]1 ZINC000061149803 173321304 /nfs/dbraw/zinc/32/13/04/173321304.db2.gz GEMOXQWGQBLWAC-UHFFFAOYSA-N 0 3 207.252 2.157 10 0 BEAEHN CNCc1cc(CN2CCC[C@H](C)CC2)on1 ZINC000104356441 173387210 /nfs/dbraw/zinc/38/72/10/173387210.db2.gz JVMPHPMPAPAHHD-NSHDSACASA-N 0 3 237.347 2.016 10 0 BEAEHN CNCc1cc(F)ccc1N(C)C1CC1 ZINC000037236579 173387233 /nfs/dbraw/zinc/38/72/33/173387233.db2.gz QJCQQOYAUIHFAY-UHFFFAOYSA-N 0 3 208.280 2.144 10 0 BEAEHN CNCc1cc(COc2cccnc2)oc1C ZINC000052646439 173387346 /nfs/dbraw/zinc/38/73/46/173387346.db2.gz UZDSUGFPUJZJBN-UHFFFAOYSA-N 0 3 232.283 2.281 10 0 BEAEHN CNCc1ccc(OC[C@H]2CC=CC[C@@H]2C)nn1 ZINC000051543059 173389207 /nfs/dbraw/zinc/38/92/07/173389207.db2.gz QRHZMADNJPTQCK-NWDGAFQWSA-N 0 3 247.342 2.177 10 0 BEAEHN CNCc1cccc(NC(=O)CCSC)c1 ZINC000036282467 173389469 /nfs/dbraw/zinc/38/94/69/173389469.db2.gz SMULRCRWWUUAPE-UHFFFAOYSA-N 0 3 238.356 2.098 10 0 BEAEHN CNCc1cccc(OC)c1OCC(F)(F)F ZINC000035413541 173389608 /nfs/dbraw/zinc/38/96/08/173389608.db2.gz FYIZEMMFLYHQFX-UHFFFAOYSA-N 0 3 249.232 2.356 10 0 BEAEHN CNCc1ccccc1NC(=O)c1ccco1 ZINC000036280783 173390730 /nfs/dbraw/zinc/39/07/30/173390730.db2.gz QDCVUWCRPNTBSM-UHFFFAOYSA-N 0 3 230.267 2.251 10 0 BEAEHN CNCc1ccnc(-c2ccc(C)cc2)n1 ZINC000045206117 173391099 /nfs/dbraw/zinc/39/10/99/173391099.db2.gz LFMOLRCRXSRGGW-UHFFFAOYSA-N 0 3 213.284 2.171 10 0 BEAEHN CNCc1cnc(CCOc2ccccc2)s1 ZINC000052331367 173392478 /nfs/dbraw/zinc/39/24/78/173392478.db2.gz OOWMPVQJWGTHNM-UHFFFAOYSA-N 0 3 248.351 2.484 10 0 BEAEHN CNCc1cnc(N2CCC[C@@H]2C)c(Cl)c1 ZINC000051398881 173392653 /nfs/dbraw/zinc/39/26/53/173392653.db2.gz YBBNWRQDPZQSCZ-VIFPVBQESA-N 0 3 239.750 2.443 10 0 BEAEHN CNCc1nc(-c2cccs2)c(C)[nH]1 ZINC000041062185 173395948 /nfs/dbraw/zinc/39/59/48/173395948.db2.gz ZADUKHNNKFBVKU-UHFFFAOYSA-N 0 3 207.302 2.166 10 0 BEAEHN CNCc1nc(C)c(-c2cccs2)[nH]1 ZINC000041062185 173395950 /nfs/dbraw/zinc/39/59/50/173395950.db2.gz ZADUKHNNKFBVKU-UHFFFAOYSA-N 0 3 207.302 2.166 10 0 BEAEHN COC(=O)CCNCc1ccc(Cl)s1 ZINC000036804721 173562165 /nfs/dbraw/zinc/56/21/65/173562165.db2.gz HGXGVTCWUUSFHK-UHFFFAOYSA-N 0 3 233.720 2.054 10 0 BEAEHN COCCCOC[C@@H](N)c1cc(C)ccc1C ZINC000037747141 174254714 /nfs/dbraw/zinc/25/47/14/174254714.db2.gz TXBNSXFEECQVCT-CQSZACIVSA-N 0 3 237.343 2.356 10 0 BEAEHN COCCCOC[C@@H](N)c1ccc(C)c(C)c1 ZINC000037747187 174254972 /nfs/dbraw/zinc/25/49/72/174254972.db2.gz QQMWCPMIXMVOCY-CQSZACIVSA-N 0 3 237.343 2.356 10 0 BEAEHN COCCN([C@H](C)C1CC1)[C@@H]1CCCCC1=O ZINC000042680791 174302177 /nfs/dbraw/zinc/30/21/77/174302177.db2.gz RHDGPCHZWQWBET-DGCLKSJQSA-N 0 3 239.359 2.245 10 0 BEAEHN COC[C@H](C)N(C)c1cccc(F)c1[C@@H](C)N ZINC000042518510 174538074 /nfs/dbraw/zinc/53/80/74/174538074.db2.gz VOJISCBYVMODFA-VHSXEESVSA-N 0 3 240.322 2.317 10 0 BEAEHN COc1cc([C@@H](C)N)c(OC)cc1Cl ZINC000071464443 175013310 /nfs/dbraw/zinc/01/33/10/175013310.db2.gz VXUYGGVSHCMLJM-ZCFIWIBFSA-N 0 3 215.680 2.377 10 0 BEAEHN COc1cc2c(c(OC)c1)C(C)(C)CNC2 ZINC000057513782 175019333 /nfs/dbraw/zinc/01/93/33/175019333.db2.gz AANNKSRXMNWFJF-UHFFFAOYSA-N 0 3 221.300 2.085 10 0 BEAEHN COc1cc2c(c(OC)c1)CNC(C)(C)C2 ZINC000003962816 175019507 /nfs/dbraw/zinc/01/95/07/175019507.db2.gz LHJAWXZVURTZDJ-UHFFFAOYSA-N 0 3 221.300 2.128 10 0 BEAEHN COc1ccc(-c2c[nH]c([C@H](C)N)n2)cc1 ZINC000036872235 175029771 /nfs/dbraw/zinc/02/97/71/175029771.db2.gz GGLVKEPXVANSAQ-QMMMGPOBSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccc(-c2nc([C@@H](C)N)c[nH]2)cc1 ZINC000082517059 175039674 /nfs/dbraw/zinc/03/96/74/175039674.db2.gz XKJIIHIJVXCSLK-MRVPVSSYSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccc(C(C)(C)C)cc1CNCCO ZINC000057529029 175067144 /nfs/dbraw/zinc/06/71/44/175067144.db2.gz QZQHSVDIRKZCIN-UHFFFAOYSA-N 0 3 237.343 2.075 10 0 BEAEHN COc1ccc(C)cc1CC1(O)CCN(C)CC1 ZINC000050705991 175073623 /nfs/dbraw/zinc/07/36/23/175073623.db2.gz IQUKDTWERKSCOJ-UHFFFAOYSA-N 0 3 249.354 2.003 10 0 BEAEHN COc1ccc(C)cc1CN1CCC[C@@H](O)[C@@H]1C ZINC000335362752 175075269 /nfs/dbraw/zinc/07/52/69/175075269.db2.gz ZIPCFEMVAXTCPV-GXTWGEPZSA-N 0 3 249.354 2.349 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)Cn1ccnc1C ZINC000023070236 175081776 /nfs/dbraw/zinc/08/17/76/175081776.db2.gz OFZKVVNJRALBNL-CYBMUJFWSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccc(C)cc1[C@H]1CNC[C@H](C2CC2)O1 ZINC000071308783 175082306 /nfs/dbraw/zinc/08/23/06/175082306.db2.gz JSLYVZGIWCYUOP-HUUCEWRRSA-N 0 3 247.338 2.443 10 0 BEAEHN COc1ccc(Cl)cc1[C@@H](O)CNC1CC1 ZINC000049830783 175121742 /nfs/dbraw/zinc/12/17/42/175121742.db2.gz OEHQWTMFCOTWJF-NSHDSACASA-N 0 3 241.718 2.134 10 0 BEAEHN COc1ccc(Cl)cc1N[C@@H]1CCN(C)C1 ZINC000061984610 175122290 /nfs/dbraw/zinc/12/22/90/175122290.db2.gz ZAZRNPVLASSCAM-SNVBAGLBSA-N 0 3 240.734 2.465 10 0 BEAEHN COc1ccc(Cl)cc1[C@H](O)CCN(C)C ZINC000041146682 175123133 /nfs/dbraw/zinc/12/31/33/175123133.db2.gz RZZRHTXVFAWQIA-LLVKDONJSA-N 0 3 243.734 2.334 10 0 BEAEHN COc1ccc(F)cc1[C@@H](N)[C@H]1CCCOC1 ZINC000062230755 175131878 /nfs/dbraw/zinc/13/18/78/175131878.db2.gz KROJTLYVVPAFCR-ZANVPECISA-N 0 3 239.290 2.261 10 0 BEAEHN COc1ccc(NC(=O)[C@@H]2NCCC[C@@H]2C)cc1 ZINC000051790692 175145841 /nfs/dbraw/zinc/14/58/41/175145841.db2.gz OROPGGHMJOUIMP-GXFFZTMASA-N 0 3 248.326 2.022 10 0 BEAEHN COc1ccc(NC(=O)[C@@](C)(N)C2CC2)cc1C ZINC000049532032 175146526 /nfs/dbraw/zinc/14/65/26/175146526.db2.gz GMIVYXQJOWWEDR-AWEZNQCLSA-N 0 3 248.326 2.070 10 0 BEAEHN COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)N2)cc1 ZINC000019505811 175146638 /nfs/dbraw/zinc/14/66/38/175146638.db2.gz ODXQOPHQNYPDDB-ZWNOBZJWSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1ccc(N[C@@H]2CCN(C)C2)cc1Cl ZINC000061984502 175154199 /nfs/dbraw/zinc/15/41/99/175154199.db2.gz JISPCNMADPARFC-SNVBAGLBSA-N 0 3 240.734 2.465 10 0 BEAEHN COc1ccc(N[C@H]2CCN(C3CC3)C2)cc1O ZINC000061982661 175155315 /nfs/dbraw/zinc/15/53/15/175155315.db2.gz UYPSJUZMGDMVNA-NSHDSACASA-N 0 3 248.326 2.049 10 0 BEAEHN COc1ccc(Nc2ccncc2N)cc1 ZINC000020584591 175156764 /nfs/dbraw/zinc/15/67/64/175156764.db2.gz YPSPZODVPIEJQB-UHFFFAOYSA-N 0 3 215.256 2.416 10 0 BEAEHN COc1ccc(OC)c2c1CNCC2(C)C ZINC000057513786 175170749 /nfs/dbraw/zinc/17/07/49/175170749.db2.gz HUJYOBMLVFWGHU-UHFFFAOYSA-N 0 3 221.300 2.085 10 0 BEAEHN COc1ccc([C@@H]2CSCCN2)cc1OC ZINC000041282376 175184906 /nfs/dbraw/zinc/18/49/06/175184906.db2.gz DZIOLAATOQBOKU-JTQLQIEISA-N 0 3 239.340 2.081 10 0 BEAEHN COc1ccc([C@H](C)NC2CC2)cc1NC(C)=O ZINC000132756582 175188818 /nfs/dbraw/zinc/18/88/18/175188818.db2.gz VTKCANFFXNVOFB-VIFPVBQESA-N 0 3 248.326 2.467 10 0 BEAEHN COc1ccc([C@H](N)[C@@H](C)n2ccnc2)cc1 ZINC000023069216 175192392 /nfs/dbraw/zinc/19/23/92/175192392.db2.gz MNSMZEBWLTZVCR-ZWNOBZJWSA-N 0 3 231.299 2.153 10 0 BEAEHN COc1ccc([C@H](N)c2cccn2C)cc1 ZINC000011848698 175192822 /nfs/dbraw/zinc/19/28/22/175192822.db2.gz ZGTCQHNIYNWHCC-ZDUSSCGKSA-N 0 3 216.284 2.082 10 0 BEAEHN COc1ccc([C@H]2CNC(C)(C)O2)cc1 ZINC000071510316 175195793 /nfs/dbraw/zinc/19/57/93/175195793.db2.gz GHGZFIJMNQNPKH-LLVKDONJSA-N 0 3 207.273 2.092 10 0 BEAEHN COc1ccc([C@H]2CNC[C@@H](C)O2)cc1C ZINC000071523076 175196758 /nfs/dbraw/zinc/19/67/58/175196758.db2.gz CMJLOXIOSXREED-ZWNOBZJWSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc2c(c1OC)[C@H](C)N(C)CC2 ZINC000014723340 175223033 /nfs/dbraw/zinc/22/30/33/175223033.db2.gz PTJFNGNDALZPKH-VIFPVBQESA-N 0 3 221.300 2.253 10 0 BEAEHN COc1ccc2c(c1)[nH]c1c2CCN=C1 ZINC000000011835 175224155 /nfs/dbraw/zinc/22/41/55/175224155.db2.gz VTEZDUSEJVSZGQ-UHFFFAOYSA-N 0 3 200.241 2.152 10 0 in-vivo BEAEHN COc1cccc(COc2ncccc2CN)c1 ZINC000019484316 175270146 /nfs/dbraw/zinc/27/01/46/175270146.db2.gz TZYSLZJQBNVIEA-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1cccc(N(C)Cc2cc(CN)co2)c1 ZINC000052516752 175275165 /nfs/dbraw/zinc/27/51/65/175275165.db2.gz XEMQSKUGXKOAPV-UHFFFAOYSA-N 0 3 246.310 2.383 10 0 BEAEHN COc1cccc(NC(=O)CNC2CCCC2)c1 ZINC000020037058 175276230 /nfs/dbraw/zinc/27/62/30/175276230.db2.gz QMHQCZKKJBQSOF-UHFFFAOYSA-N 0 3 248.326 2.166 10 0 BEAEHN COc1cccc(Oc2cc(CN)ccn2)c1 ZINC000022161810 175284850 /nfs/dbraw/zinc/28/48/50/175284850.db2.gz JKMKXBSXMGSLKX-UHFFFAOYSA-N 0 3 230.267 2.341 10 0 BEAEHN COc1cccc([C@@H](N)Cn2nc(C)cc2C)c1 ZINC000011849912 175288709 /nfs/dbraw/zinc/28/87/09/175288709.db2.gz VTUMWVJWVLEIPQ-AWEZNQCLSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1cccc([C@H](O)[C@@H](N)c2ccccc2)c1 ZINC000054682507 175294701 /nfs/dbraw/zinc/29/47/01/175294701.db2.gz SBACAJZJLBCZAU-GJZGRUSLSA-N 0 3 243.306 2.429 10 0 BEAEHN COc1cccc([C@H](N)c2ccncc2)c1 ZINC000037466446 175295268 /nfs/dbraw/zinc/29/52/68/175295268.db2.gz DAKBYZAXNNKLCC-CYBMUJFWSA-N 0 3 214.268 2.138 10 0 BEAEHN COc1cccc([C@H](O)[C@H](N)c2ccccc2)c1 ZINC000054682500 175295333 /nfs/dbraw/zinc/29/53/33/175295333.db2.gz SBACAJZJLBCZAU-CABCVRRESA-N 0 3 243.306 2.429 10 0 BEAEHN COc1ccccc1CNc1nccn1C ZINC000050605623 175331093 /nfs/dbraw/zinc/33/10/93/175331093.db2.gz UHBXXJRRDSNUND-UHFFFAOYSA-N 0 3 217.272 2.041 10 0 BEAEHN COc1ccccc1O[C@H]1CCCCN1 ZINC000095929908 175342248 /nfs/dbraw/zinc/34/22/48/175342248.db2.gz HDVBILJGOVKRDH-LBPRGKRZSA-N 0 3 207.273 2.174 10 0 BEAEHN COc1ccccc1Oc1cc(CN)ccn1 ZINC000022172646 175342514 /nfs/dbraw/zinc/34/25/14/175342514.db2.gz ZPJDLYLELMNTTI-UHFFFAOYSA-N 0 3 230.267 2.341 10 0 BEAEHN COc1ccccc1[C@@H](N)C[C@H]1CCCO1 ZINC000037466774 175347607 /nfs/dbraw/zinc/34/76/07/175347607.db2.gz DYTYLICZXXAQEH-PWSUYJOCSA-N 0 3 221.300 2.264 10 0 BEAEHN COc1ccccc1[C@@H]1CN(C(C)C)CCN1 ZINC000077369936 175348745 /nfs/dbraw/zinc/34/87/45/175348745.db2.gz MWHYQNQYIQIIRZ-ZDUSSCGKSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccccc1[C@H](CN)N(C)C(C)C ZINC000022223698 175353844 /nfs/dbraw/zinc/35/38/44/175353844.db2.gz RTDCMYLVHJPCBK-LBPRGKRZSA-N 0 3 222.332 2.035 10 0 BEAEHN COc1ccnc(CNC2CCCC2)c1OC ZINC000058824405 175360518 /nfs/dbraw/zinc/36/05/18/175360518.db2.gz KMGJKPPIVVKOIZ-UHFFFAOYSA-N 0 3 236.315 2.131 10 0 BEAEHN COc1ccsc1CNC(C)(C)[C@H](C)O ZINC000127133151 175378127 /nfs/dbraw/zinc/37/81/27/175378127.db2.gz QLCOFFFCFUYDMG-QMMMGPOBSA-N 0 3 229.345 2.006 10 0 BEAEHN C[C@@H](c1cccs1)N1CCC(O)CC1 ZINC000074147793 176034547 /nfs/dbraw/zinc/03/45/47/176034547.db2.gz ZROUISDTAVKFQP-VIFPVBQESA-N 0 3 211.330 2.266 10 0 BEAEHN C[C@@H]1CC(N)=NN1c1ccc(Cl)cc1 ZINC000034592819 176053027 /nfs/dbraw/zinc/05/30/27/176053027.db2.gz OIRYAEFOEAYPHY-SSDOTTSWSA-N 0 3 209.680 2.211 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1CNCc1ccncn1 ZINC000054789831 176077687 /nfs/dbraw/zinc/07/76/87/176077687.db2.gz IGJLTZGUMUGVDG-VXGBXAGGSA-N 0 3 219.332 2.393 10 0 BEAEHN C[C@@H]1CCCN1[C@@H](CN)c1ccccc1F ZINC000037910323 176109492 /nfs/dbraw/zinc/10/94/92/176109492.db2.gz DRDGZLNSKHLKEX-MFKMUULPSA-N 0 3 222.307 2.310 10 0 BEAEHN C[C@@H]1CCCN1Cc1nc2ccc(N)cc2[nH]1 ZINC000037909979 176110849 /nfs/dbraw/zinc/11/08/49/176110849.db2.gz UIRAMKWDYXREAV-SECBINFHSA-N 0 3 230.315 2.129 10 0 BEAEHN C[C@@H]1CCCN1c1ccc(Cl)c(CN)n1 ZINC000051396080 176111386 /nfs/dbraw/zinc/11/13/86/176111386.db2.gz ATYCMJOOWXADGY-MRVPVSSYSA-N 0 3 225.723 2.182 10 0 BEAEHN C[C@@H]1CCCN[C@@H]1C(=O)Nc1ccccc1 ZINC000051791918 176112947 /nfs/dbraw/zinc/11/29/47/176112947.db2.gz WOSWUXGBZWFEER-PWSUYJOCSA-N 0 3 218.300 2.013 10 0 BEAEHN C[C@@H]1CCC[C@H](Oc2ncccc2CN)C1 ZINC000026514763 176146308 /nfs/dbraw/zinc/14/63/08/176146308.db2.gz HICORWTVYGLNKO-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CN(CCCc2cccc(N)c2)C[C@@H](C)O1 ZINC000041138747 176289648 /nfs/dbraw/zinc/28/96/48/176289648.db2.gz YOQDZPGHDAUSDT-CHWSQXEVSA-N 0 3 248.370 2.311 10 0 BEAEHN C[C@@H]1CN(c2cccc(Cl)c2)N=C1N ZINC000034592817 176319536 /nfs/dbraw/zinc/31/95/36/176319536.db2.gz CTVZXQUUWUDABQ-SSDOTTSWSA-N 0 3 209.680 2.068 10 0 BEAEHN C[C@@H]1CN=C(NCCc2ccsc2)S1 ZINC000049185312 176323952 /nfs/dbraw/zinc/32/39/52/176323952.db2.gz GFYJGMIBKCYBHG-MRVPVSSYSA-N 0 3 226.370 2.372 10 0 BEAEHN C[C@@H]1CSC[C@@H]1N[C@@H]1COc2ccccc21 ZINC000287455418 176354052 /nfs/dbraw/zinc/35/40/52/176354052.db2.gz LPHCRFXGGHDMPO-JLLWLGSASA-N 0 3 235.352 2.461 10 0 BEAEHN C[C@@H]1CSC[C@@H]1N[C@H]1COc2ccccc21 ZINC000287455427 176354348 /nfs/dbraw/zinc/35/43/48/176354348.db2.gz LPHCRFXGGHDMPO-USWWRNFRSA-N 0 3 235.352 2.461 10 0 BEAEHN C[C@@H]1C[C@@H](NCCn2cncn2)c2ccccc21 ZINC000288536564 176376449 /nfs/dbraw/zinc/37/64/49/176376449.db2.gz ADNZNMMIMZFAAL-BXUZGUMPSA-N 0 3 242.326 2.116 10 0 BEAEHN C[C@@H]1C[C@@H](N[C@@H]2CCCNC2=O)c2ccccc21 ZINC000310849643 176379738 /nfs/dbraw/zinc/37/97/38/176379738.db2.gz OEFGPKZURMUFLU-LERXQTSPSA-N 0 3 244.338 2.103 10 0 BEAEHN C[C@H]1CCCCN1c1nc2ccccn2c1CN ZINC000035433903 177078910 /nfs/dbraw/zinc/07/89/10/177078910.db2.gz VTPFIZHPDZVNHV-NSHDSACASA-N 0 3 244.342 2.172 10 0 BEAEHN C[C@H]1CCCC[C@H]1CNCc1ccncn1 ZINC000054789834 177086340 /nfs/dbraw/zinc/08/63/40/177086340.db2.gz IGJLTZGUMUGVDG-RYUDHWBXSA-N 0 3 219.332 2.393 10 0 BEAEHN C[C@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2N)C1 ZINC000019389329 177103479 /nfs/dbraw/zinc/10/34/79/177103479.db2.gz HHOMQURPHKDTPM-LNSITVRQSA-N 0 3 246.354 2.179 10 0 BEAEHN C[C@@H](N)c1csc(N2CCC[C@H](C)C2)n1 ZINC000070844454 177105341 /nfs/dbraw/zinc/10/53/41/177105341.db2.gz GBPIFIXGGIISBZ-DTWKUNHWSA-N 0 3 225.361 2.399 10 0 BEAEHN C[C@@H](C(=O)Nc1cccc(N)c1)N1CCC[C@@H]1C ZINC000037909702 177111781 /nfs/dbraw/zinc/11/17/81/177111781.db2.gz ZBLIJFVNVUDZHP-QWRGUYRKSA-N 0 3 247.342 2.080 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)NCC2CCCCC2)N1 ZINC000037260048 177114252 /nfs/dbraw/zinc/11/42/52/177114252.db2.gz VFFRHJHIGQRLPQ-AAEUAGOBSA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@H]1CCC[C@@H](Oc2ncccc2CN)C1 ZINC000026514761 177123650 /nfs/dbraw/zinc/12/36/50/177123650.db2.gz HICORWTVYGLNKO-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N2Cc3ccccc3C2)N1 ZINC000050912607 177129362 /nfs/dbraw/zinc/12/93/62/177129362.db2.gz WMRUMDZKXGIQII-SMDDNHRTSA-N 0 3 244.338 2.059 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)NCCC2CCCC2)N1 ZINC000037741557 177129590 /nfs/dbraw/zinc/12/95/90/177129590.db2.gz MHUPBVDKBLZGHY-WCQYABFASA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@H]1CCC[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000042494734 177134428 /nfs/dbraw/zinc/13/44/28/177134428.db2.gz JIURMQFUUAPAMH-SDDRHHMPSA-N 0 3 240.391 2.397 10 0 BEAEHN C[C@H]1CCC[C@H](Oc2ccnc(C(=N)N)c2)C1 ZINC000061814587 177139150 /nfs/dbraw/zinc/13/91/50/177139150.db2.gz VCDPDVNXLORFBP-UWVGGRQHSA-N 0 3 233.315 2.323 10 0 BEAEHN C[C@H]1CC[C@@H](CN2CCC(c3cc[nH]n3)CC2)O1 ZINC000188579716 177189042 /nfs/dbraw/zinc/18/90/42/177189042.db2.gz GMJQRLGZOMEXHW-AAEUAGOBSA-N 0 3 249.358 2.157 10 0 BEAEHN C[C@H]1CCc2c1cc(F)cc2OC1CNC1 ZINC000039110384 177209364 /nfs/dbraw/zinc/20/93/64/177209364.db2.gz XWJBNFNGCQNNJL-QMMMGPOBSA-N 0 3 221.275 2.226 10 0 BEAEHN C[C@H]1CCc2nc(C(C)(C)N)sc2C1 ZINC000041059491 177210137 /nfs/dbraw/zinc/21/01/37/177210137.db2.gz VIRRXVRMQCLLSN-ZETCQYMHSA-N 0 3 210.346 2.462 10 0 BEAEHN C[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](C)CN1 ZINC000034109322 177222437 /nfs/dbraw/zinc/22/24/37/177222437.db2.gz HDMXGKDIDQZITN-RYUDHWBXSA-N 0 3 248.326 2.005 10 0 BEAEHN C[C@H]1CN(C[C@@H]2CCCC[C@@H]2O)CC(C)(C)O1 ZINC000053923334 177257182 /nfs/dbraw/zinc/25/71/82/177257182.db2.gz FUJVMPWMZCXHLD-AVGNSLFASA-N 0 3 241.375 2.037 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccco1 ZINC000251663851 177279903 /nfs/dbraw/zinc/27/99/03/177279903.db2.gz HAINTICPDIWHCU-STQMWFEESA-N 0 3 234.343 2.338 10 0 BEAEHN C[C@H]1CNC[C@@H](c2ccccc2Cl)O1 ZINC000032012617 177285811 /nfs/dbraw/zinc/28/58/11/177285811.db2.gz BONOEYOQDIOQSC-KWQFWETISA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC[C@H](C)N2)C1 ZINC000034689366 177311052 /nfs/dbraw/zinc/31/10/52/177311052.db2.gz LNLBJODJZWUGJB-RNJOBUHISA-N 0 3 238.375 2.022 10 0 BEAEHN C[C@H]1C[C@@H](N(C)C(=O)C2CCCC2)CCN1C ZINC000123694708 177325968 /nfs/dbraw/zinc/32/59/68/177325968.db2.gz GJZOCIPZHDGIPC-AAEUAGOBSA-N 0 3 238.375 2.118 10 0 BEAEHN C[C@H]1C[C@H](NCc2nc[nH]n2)CC(C)(C)C1 ZINC000037919057 177371761 /nfs/dbraw/zinc/37/17/61/177371761.db2.gz AVWSJJOLLRCAOM-UWVGGRQHSA-N 0 3 222.336 2.109 10 0 BEAEHN C[C@H]1Cc2cc3c(cc2[C@H](C)N1)OCCO3 ZINC000071491305 177388885 /nfs/dbraw/zinc/38/88/85/177388885.db2.gz BBAOLLLRPHRPGK-IUCAKERBSA-N 0 3 219.284 2.053 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000134244424 177407581 /nfs/dbraw/zinc/40/75/81/177407581.db2.gz OODLEELZDBEJMN-RDDDGLTNSA-N 0 3 245.244 2.371 10 0 BEAEHN Cc1cc(F)ccc1CN1C[C@@H](C)C[C@H](O)C1 ZINC000401969748 226364044 /nfs/dbraw/zinc/36/40/44/226364044.db2.gz YFMXRMWTJKDENJ-HZMBPMFUSA-N 0 3 237.318 2.337 10 0 BEAEHN CC[C@@H](NC(=O)[C@@H]1NCCCC1(C)C)C(C)C ZINC000233887299 487750556 /nfs/dbraw/zinc/75/05/56/487750556.db2.gz HJLUNXWMFWHASI-NEPJUHHUSA-N 0 3 240.391 2.315 10 0 BEAEHN CCc1ccc(CN[C@H]2CCCN(C)C2)o1 ZINC000051724712 487784033 /nfs/dbraw/zinc/78/40/33/487784033.db2.gz SAQTWMQJPIVYOG-NSHDSACASA-N 0 3 222.332 2.026 10 0 BEAEHN CCC1(NCc2ccc(CO)o2)CCC1 ZINC000129061501 487875548 /nfs/dbraw/zinc/87/55/48/487875548.db2.gz AJFBKBZVOVLYJV-UHFFFAOYSA-N 0 3 209.289 2.194 10 0 BEAEHN Cc1cccc(CN(C)C[C@H]2CCC[C@H](O)C2)n1 ZINC000386733522 487892466 /nfs/dbraw/zinc/89/24/66/487892466.db2.gz BGDCHCSEGQUMDH-ZFWWWQNUSA-N 0 3 248.370 2.373 10 0 BEAEHN CC(C)[C@H]1CNCCN1c1ncccc1Cl ZINC000083367684 487904436 /nfs/dbraw/zinc/90/44/36/487904436.db2.gz RXDTYXJJCWTSDY-LLVKDONJSA-N 0 3 239.750 2.169 10 0 BEAEHN c1ccc2c(c1)CCN[C@H]2CN1CCCCC1 ZINC000034628818 487921273 /nfs/dbraw/zinc/92/12/73/487921273.db2.gz MWFDWWMMOCTHRI-HNNXBMFYSA-N 0 3 230.355 2.359 10 0 BEAEHN CCN1CCC[C@H](N[C@@H](C)c2cscn2)C1 ZINC000161162424 323149584 /nfs/dbraw/zinc/14/95/84/323149584.db2.gz AETUNCZGALNFNL-QWRGUYRKSA-N 0 3 239.388 2.278 10 0 BEAEHN Cc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1C ZINC000049096265 323157383 /nfs/dbraw/zinc/15/73/83/323157383.db2.gz FGTVDYYZTKBLHN-AWEZNQCLSA-N 0 3 246.354 2.127 10 0 BEAEHN C[C@@H]1CCC[C@@H](NCc2ccn(C)n2)CC1 ZINC000124707300 323162760 /nfs/dbraw/zinc/16/27/60/323162760.db2.gz DCRQAWDEEQNBIU-VXGBXAGGSA-N 0 3 221.348 2.479 10 0 BEAEHN C[C@@H]1CC(C)(C)C[C@@](N)(c2ncc[nH]2)C1 ZINC000521402108 323201154 /nfs/dbraw/zinc/20/11/54/323201154.db2.gz VLQQUOXDKUDNEY-BXKDBHETSA-N 0 3 207.321 2.410 10 0 BEAEHN CC(C)C1CCC(N)(c2ncc[nH]2)CC1 ZINC000521402195 323201315 /nfs/dbraw/zinc/20/13/15/323201315.db2.gz XHFBZRRUXDCAOY-UHFFFAOYSA-N 0 3 207.321 2.410 10 0 BEAEHN COc1c(CN[C@@H]2CC[C@@H](C)C2)c(C)nn1C ZINC000123009309 324073445 /nfs/dbraw/zinc/07/34/45/324073445.db2.gz BCJQELRJHVHDHZ-MWLCHTKSSA-N 0 3 237.347 2.015 10 0 BEAEHN CCCn1cc(CN[C@H](C)CSC)cn1 ZINC000130698488 325080884 /nfs/dbraw/zinc/08/08/84/325080884.db2.gz YZWJODLHRCRNIY-SNVBAGLBSA-N 0 3 227.377 2.134 10 0 BEAEHN CN(C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000082283343 325534977 /nfs/dbraw/zinc/53/49/77/325534977.db2.gz QYMFKGKRCPQGHS-ZDUSSCGKSA-N 0 3 238.375 2.119 10 0 BEAEHN COc1cc(C)ccc1[C@@H](C)NCC1CC(O)C1 ZINC000091524419 325687375 /nfs/dbraw/zinc/68/73/75/325687375.db2.gz JIAFNEXWKSKJGF-PNESKVBLSA-N 0 3 249.354 2.425 10 0 BEAEHN CC[C@@H]1CCCCCN1C(=O)CNC(C)C ZINC000134360082 487980375 /nfs/dbraw/zinc/98/03/75/487980375.db2.gz YMQWQSQKQYZOIV-GFCCVEGCSA-N 0 3 226.364 2.166 10 0 BEAEHN CN(Cc1ccccn1)C[C@H]1CCC[C@H](O)C1 ZINC000310463902 488029133 /nfs/dbraw/zinc/02/91/33/488029133.db2.gz YTMUTYRLVPSWKC-JSGCOSHPSA-N 0 3 234.343 2.065 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cnc2ccccc2n1 ZINC000052274178 488037188 /nfs/dbraw/zinc/03/71/88/488037188.db2.gz ZADJBNZBQUEWMS-RNCFNFMXSA-N 0 3 213.284 2.128 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cnc2ccccc2n1 ZINC000052274181 488037378 /nfs/dbraw/zinc/03/73/78/488037378.db2.gz ZADJBNZBQUEWMS-ZANVPECISA-N 0 3 213.284 2.128 10 0 BEAEHN CNCc1cc(C(F)(F)F)nn1C(C)C ZINC000409443497 488047409 /nfs/dbraw/zinc/04/74/09/488047409.db2.gz NXFBONKNERIUIV-UHFFFAOYSA-N 0 3 221.226 2.202 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000227155486 487555583 /nfs/dbraw/zinc/55/55/83/487555583.db2.gz WLIZHOTUOYASEO-QNWHQSFQSA-N 0 3 238.375 2.022 10 0 BEAEHN CCC[C@H](N)C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000304390486 487499195 /nfs/dbraw/zinc/49/91/95/487499195.db2.gz SWZGZCHUFNCDQV-SRVKXCTJSA-N 0 3 226.364 2.151 10 0 BEAEHN CC(C)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1 ZINC000062622704 487500479 /nfs/dbraw/zinc/50/04/79/487500479.db2.gz GDWGRVODTVXGEG-ZDUSSCGKSA-N 0 3 247.342 2.148 10 0 BEAEHN Cc1nsc(NCc2ccc3c(c2)CNC3)n1 ZINC000097829722 487703913 /nfs/dbraw/zinc/70/39/13/487703913.db2.gz TWHKCGMFJKSSEB-UHFFFAOYSA-N 0 3 246.339 2.062 10 0 BEAEHN C[C@@H]1N(C[C@H]2CCC[C@@H](O)C2)CCOC1(C)C ZINC000660006579 490131875 /nfs/dbraw/zinc/13/18/75/490131875.db2.gz PQHBMTYDKABBBZ-RWMBFGLXSA-N 0 3 241.375 2.037 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccc(F)cn1 ZINC000220750712 490142262 /nfs/dbraw/zinc/14/22/62/490142262.db2.gz AMPFXKZQYQEAKI-ZMLRMANQSA-N 0 3 238.306 2.175 10 0 BEAEHN N[C@@H]1c2c(Cl)cc(Cl)cc2CC[C@@H]1O ZINC000039941506 491110662 /nfs/dbraw/zinc/11/06/62/491110662.db2.gz QASZXAAVJFJJSX-WPRPVWTQSA-N 0 3 232.110 2.300 10 0 BEAEHN COc1cccc([C@H](C)NC2CSC2)c1 ZINC000215965926 491124811 /nfs/dbraw/zinc/12/48/11/491124811.db2.gz LKIIREOFXJQPRZ-VIFPVBQESA-N 0 3 223.341 2.461 10 0 BEAEHN C[C@H](NC1CSC1)c1cccc(O)c1 ZINC000215965706 491124827 /nfs/dbraw/zinc/12/48/27/491124827.db2.gz XIWGKPDRIBXKHE-QMMMGPOBSA-N 0 3 209.314 2.158 10 0 BEAEHN CCN1C[C@H](C)[C@H](Nc2ncccc2Cl)C1 ZINC000309483172 491149542 /nfs/dbraw/zinc/14/95/42/491149542.db2.gz UITQATLUZDSSCK-GXSJLCMTSA-N 0 3 239.750 2.487 10 0 BEAEHN FCC1(CF)CC2(C1)NCC1(CCC1)CO2 ZINC000757138165 582517104 /nfs/dbraw/zinc/51/71/04/582517104.db2.gz BAESMUDEUZINFJ-UHFFFAOYSA-N 0 3 231.286 2.192 10 0 BEAEHN CC1(C)C[C@]2(CO1)NCC(C)(C)C(C)(C)O2 ZINC000757138599 582518109 /nfs/dbraw/zinc/51/81/09/582518109.db2.gz CHWMQVAQZXGNHN-ZDUSSCGKSA-N 0 3 227.348 2.306 10 0 BEAEHN CC(C)[C@H]1N[C@@]2(CCCOC2)OCC12CCC2 ZINC000757138944 582518537 /nfs/dbraw/zinc/51/85/37/582518537.db2.gz FIENFZIWFBBLBY-OCCSQVGLSA-N 0 3 239.359 2.308 10 0 BEAEHN CC(C)CCNc1nc(=NN)cc(C(C)C)[nH]1 ZINC000057331701 519664226 /nfs/dbraw/zinc/66/42/26/519664226.db2.gz JNYMNKUBBHNJSR-UHFFFAOYSA-N 0 3 237.351 2.344 10 0 BEAEHN Cc1ccccc1-c1noc([N-]CC[NH+](C)C)n1 ZINC000057354097 525021727 /nfs/dbraw/zinc/02/17/27/525021727.db2.gz YYLJRIZKLQXODC-UHFFFAOYSA-N 0 3 246.314 2.019 10 0 BEAEHN Cc1ccccc1-c1noc(NCCN(C)C)n1 ZINC000057354097 525021739 /nfs/dbraw/zinc/02/17/39/525021739.db2.gz YYLJRIZKLQXODC-UHFFFAOYSA-N 0 3 246.314 2.019 10 0 BEAEHN CCOC(=O)[C@@H]1CCCCCN1CC1CC1 ZINC000259976654 535503744 /nfs/dbraw/zinc/50/37/44/535503744.db2.gz KJDULXCGUGFVAR-LBPRGKRZSA-N 0 3 225.332 2.204 10 0 BEAEHN CC[C@@H]1COCCN1c1cc(C)ccc1CN ZINC000051579155 535836240 /nfs/dbraw/zinc/83/62/40/535836240.db2.gz VAVBJKVTTFTTFW-CYBMUJFWSA-N 0 3 234.343 2.069 10 0 BEAEHN CN1CCN(C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000336197554 536415864 /nfs/dbraw/zinc/41/58/64/536415864.db2.gz USMQKZLHCBMPRQ-LLVKDONJSA-N 0 3 246.345 2.448 10 0 BEAEHN CCC(C(=O)C1CC1)C(=O)C(F)(F)F ZINC000308530490 566298667 /nfs/dbraw/zinc/29/86/67/566298667.db2.gz JZUVDXPHSCFLPJ-ZCFIWIBFSA-N 0 3 208.179 2.123 10 0 BEAEHN CC(C(=O)C(C)(C)C)C(=O)C(F)(F)F ZINC000395458621 583058873 /nfs/dbraw/zinc/05/88/73/583058873.db2.gz KJAWXUIOQWYRBO-RXMQYKEDSA-N 0 3 210.195 2.369 10 0 BEAEHN CC1(C)C[C@@]2(CO1)NCCc1sccc12 ZINC000397176346 583098136 /nfs/dbraw/zinc/09/81/36/583098136.db2.gz GSWJGOLRVVDQGS-LBPRGKRZSA-N 0 3 223.341 2.288 10 0 BEAEHN CCC1(C)CCN(c2cc(C)nc(N)n2)CC1 ZINC000112013350 588780263 /nfs/dbraw/zinc/78/02/63/588780263.db2.gz IVYBPXAJIIOWJO-UHFFFAOYSA-N 0 3 234.347 2.384 10 0 BEAEHN CCC[C@H](O)c1nc(C)c(CNC)s1 ZINC000757125768 582500897 /nfs/dbraw/zinc/50/08/97/582500897.db2.gz GAWJXBOTURGPJV-QMMMGPOBSA-N 0 3 214.334 2.004 10 0 BEAEHN CC(C)[C@@H]1N[C@]2(CCCOC2)OCC1(C)C ZINC000757140813 582521539 /nfs/dbraw/zinc/52/15/39/582521539.db2.gz CARVZMJNGDFECI-WCQYABFASA-N 0 3 227.348 2.164 10 0 BEAEHN [NH3+][C@@H](c1ccc([O-])c2ccncc21)C1CC1 ZINC000757141611 582522548 /nfs/dbraw/zinc/52/25/48/582522548.db2.gz AQASESPRXXYUAT-CYBMUJFWSA-N 0 3 214.268 2.350 10 0 BEAEHN c1ccc(C[C@H]2CCOC3(CCOCC3)N2)cc1 ZINC000757143883 582524584 /nfs/dbraw/zinc/52/45/84/582524584.db2.gz FMGCYOASXYHLLC-CQSZACIVSA-N 0 3 247.338 2.114 10 0 BEAEHN C1CC2(C1)CN[C@@]1(CCCOC1)OC21CCC1 ZINC000757144797 582525551 /nfs/dbraw/zinc/52/55/51/582525551.db2.gz NVUGVRYWCDYTFG-AWEZNQCLSA-N 0 3 237.343 2.206 10 0 BEAEHN CCC1CCC2(CC1)N[C@H](COC)CCO2 ZINC000757148644 582533242 /nfs/dbraw/zinc/53/32/42/582533242.db2.gz NTSASILHJKUQOA-CPCZMJQVSA-N 0 3 227.348 2.308 10 0 BEAEHN CC1(C)C[C@]2(CO1)NCC1(CCCCC1)CO2 ZINC000757151974 582536066 /nfs/dbraw/zinc/53/60/66/582536066.db2.gz UMOSALUQYJYCFE-AWEZNQCLSA-N 0 3 239.359 2.452 10 0 BEAEHN C1CC2(C1)CCN[C@]1(CCCSC1)O2 ZINC000757153555 582538369 /nfs/dbraw/zinc/53/83/69/582538369.db2.gz XOFZFVCQTFNLSS-LLVKDONJSA-N 0 3 213.346 2.142 10 0 BEAEHN CCCC[C@H](C)c1n[nH]c2c1CNCC2 ZINC000757169085 582549598 /nfs/dbraw/zinc/54/95/98/582549598.db2.gz WNQONFUTGYWSQZ-VIFPVBQESA-N 0 3 207.321 2.349 10 0 BEAEHN CCCC[C@H](C)c1[nH]nc2c1CNCC2 ZINC000757169085 582549600 /nfs/dbraw/zinc/54/96/00/582549600.db2.gz WNQONFUTGYWSQZ-VIFPVBQESA-N 0 3 207.321 2.349 10 0 BEAEHN C[C@H]1Oc2ccc(C(F)(F)F)cc2[C@@H]1N ZINC000757176070 582552589 /nfs/dbraw/zinc/55/25/89/582552589.db2.gz ZIMGLRZZTDNXFQ-MLUIRONXSA-N 0 3 217.190 2.486 10 0 BEAEHN Fc1cccc2c1CC[C@@H]2NCc1cnc[nH]1 ZINC000112344065 582819713 /nfs/dbraw/zinc/81/97/13/582819713.db2.gz KLMCPNBXXPXODL-ZDUSSCGKSA-N 0 3 231.274 2.326 10 0 BEAEHN CCN1C[C@H](NCc2ccc(C)o2)[C@@H](C)C1 ZINC000393736914 582921411 /nfs/dbraw/zinc/92/14/11/582921411.db2.gz CLMBWRKXTQDPKU-GWCFXTLKSA-N 0 3 222.332 2.018 10 0 BEAEHN CO[C@H]1CCC[C@@H]1NCc1occc1C ZINC000126732282 584944179 /nfs/dbraw/zinc/94/41/79/584944179.db2.gz RFVVJPSIOZYWHJ-QWRGUYRKSA-N 0 3 209.289 2.245 10 0 BEAEHN CCOc1cccc(-c2ccc(CN)nn2)c1F ZINC000757567236 586309575 /nfs/dbraw/zinc/30/95/75/586309575.db2.gz NNQAITCDQLCYHE-UHFFFAOYSA-N 0 3 247.273 2.140 10 0 BEAEHN CC[C@@H]1N[C@@H](c2ccc(OC)cc2)CCO1 ZINC000757139635 586427904 /nfs/dbraw/zinc/42/79/04/586427904.db2.gz HNTRMKYIJCEMHB-CHWSQXEVSA-N 0 3 221.300 2.482 10 0 BEAEHN [NH3+][C@H](c1ccc([O-])c2ncccc12)C1CC1 ZINC000757144179 586428006 /nfs/dbraw/zinc/42/80/06/586428006.db2.gz HUXWHJJOHSZTAJ-LBPRGKRZSA-N 0 3 214.268 2.350 10 0 BEAEHN CCCN(CCC(C)=O)C[C@@H]1CCCCO1 ZINC000120864010 589472993 /nfs/dbraw/zinc/47/29/93/589472993.db2.gz JPBJHQPZQMEVCH-ZDUSSCGKSA-N 0 3 227.348 2.247 10 0 BEAEHN Cc1cc(CNCC[C@@H](C)[S@](C)=O)c(C)o1 ZINC000122129686 589556628 /nfs/dbraw/zinc/55/66/28/589556628.db2.gz ZFAWIFNSNBSKJW-QLJPJBMISA-N 0 3 243.372 2.143 10 0 BEAEHN CCCc1noc(-c2cccc3c2CCNC3)n1 ZINC000124468166 590017322 /nfs/dbraw/zinc/01/73/22/590017322.db2.gz DRIUNYUXMYJSLE-UHFFFAOYSA-N 0 3 243.310 2.335 10 0 BEAEHN Cc1cc(C[C@@H](C)NCc2ccoc2)[nH]n1 ZINC000124474797 590021025 /nfs/dbraw/zinc/02/10/25/590021025.db2.gz BQCQWTILHGCTGN-SECBINFHSA-N 0 3 219.288 2.032 10 0 BEAEHN Cc1cc(C[C@@H](C)NCc2ccoc2)n[nH]1 ZINC000124474797 590021028 /nfs/dbraw/zinc/02/10/28/590021028.db2.gz BQCQWTILHGCTGN-SECBINFHSA-N 0 3 219.288 2.032 10 0 BEAEHN C[C@@H]1CN(CCC(=O)C(C)(C)C)C[C@H](C)N1C ZINC000128496671 591096770 /nfs/dbraw/zinc/09/67/70/591096770.db2.gz JHHVPRRVDBQZGJ-TXEJJXNPSA-N 0 3 240.391 2.016 10 0 BEAEHN CC(C)n1ncnc1CN[C@H]1CC[C@H](C)C1 ZINC000128888504 591175586 /nfs/dbraw/zinc/17/55/86/591175586.db2.gz KHPCGTHWKFFNSO-QWRGUYRKSA-N 0 3 222.336 2.137 10 0 BEAEHN CCSCCN1CCC(C(C)=O)CC1 ZINC000129175028 591267261 /nfs/dbraw/zinc/26/72/61/591267261.db2.gz FRUGQYKUWLXFBB-UHFFFAOYSA-N 0 3 215.362 2.041 10 0 BEAEHN CCOC(CCNCc1ccoc1)OCC ZINC000130657755 591494752 /nfs/dbraw/zinc/49/47/52/591494752.db2.gz NARRKHZZMPODQC-UHFFFAOYSA-N 0 3 227.304 2.158 10 0 BEAEHN CNc1nc2cccc(Br)c2[nH]1 ZINC000213914804 591517726 /nfs/dbraw/zinc/51/77/26/591517726.db2.gz BYEPNFPTOQWBLY-UHFFFAOYSA-N 0 3 226.077 2.367 10 0 BEAEHN c1cc(CNCCNc2ccccc2)co1 ZINC000130839183 591527089 /nfs/dbraw/zinc/52/70/89/591527089.db2.gz CAPVRCBBKDFUPY-UHFFFAOYSA-N 0 3 216.284 2.481 10 0 BEAEHN O[C@@H](CNCc1ccoc1)c1ccccc1F ZINC000134284699 591911269 /nfs/dbraw/zinc/91/12/69/591911269.db2.gz UDEKSIHRCNHHRY-ZDUSSCGKSA-N 0 3 235.258 2.242 10 0 BEAEHN Cc1nnc(CNCC2CCCC2)s1 ZINC000134665047 591946420 /nfs/dbraw/zinc/94/64/20/591946420.db2.gz DLPWBRSKHQILJF-UHFFFAOYSA-N 0 3 211.334 2.126 10 0 BEAEHN CO[C@@H]1CCC[C@@H]1N[C@@H](C)c1nccnc1C ZINC000219118267 592209105 /nfs/dbraw/zinc/20/91/05/592209105.db2.gz ZQTRKQWCILRMMT-SDDRHHMPSA-N 0 3 235.331 2.003 10 0 BEAEHN CC[C@@H]1C[C@@H](N[C@@H](C)c2ncc[nH]2)CCO1 ZINC000124663944 634430421 /nfs/dbraw/zinc/43/04/21/634430421.db2.gz LCUYJZRGPRYDEU-GARJFASQSA-N 0 3 223.320 2.018 10 0 BEAEHN C[C@@H](NCc1ccc(F)cc1Cl)[C@H](C)O ZINC000309058024 631833196 /nfs/dbraw/zinc/83/31/96/631833196.db2.gz VGPZHLHMPZQXRM-SFYZADRCSA-N 0 3 231.698 2.338 10 0 BEAEHN CC[C@H](NCc1nonc1C)C(C)(C)C ZINC000309166933 632657514 /nfs/dbraw/zinc/65/75/14/632657514.db2.gz JLSXNFHLSUCSCT-JTQLQIEISA-N 0 3 211.309 2.292 10 0 BEAEHN Cc1cc(N[C@@H](C)Cc2ccsc2)nc(N)n1 ZINC000108643563 636116679 /nfs/dbraw/zinc/11/66/79/636116679.db2.gz IDBWTHRBERTNMK-QMMMGPOBSA-N 0 3 248.355 2.472 10 0 BEAEHN CCN1CC[C@H](N[C@@H](C)c2c(C)noc2C)C1 ZINC000328177718 633735320 /nfs/dbraw/zinc/73/53/20/633735320.db2.gz LQNFNEPSCRABKM-CABZTGNLSA-N 0 3 237.347 2.036 10 0 BEAEHN C[C@@H](NCc1cnc(C(C)(C)C)s1)[C@H](C)O ZINC000309942746 633967604 /nfs/dbraw/zinc/96/76/04/633967604.db2.gz CDDWXJLZFYLSPQ-BDAKNGLRSA-N 0 3 242.388 2.300 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1cocn1 ZINC000397988150 634235233 /nfs/dbraw/zinc/23/52/33/634235233.db2.gz NIGJCTXXQZFVAJ-KGLIPLIRSA-N 0 3 249.358 2.123 10 0 BEAEHN COC(OC)[C@H](C)N[C@H]1CCc2ccccc21 ZINC000079585279 636443932 /nfs/dbraw/zinc/44/39/32/636443932.db2.gz JSQSUKBDHORZCA-GWCFXTLKSA-N 0 3 235.327 2.271 10 0 BEAEHN C[C@@H]1C[C@@H](CNCc2nccs2)C[C@H](C)O1 ZINC000393742020 636548801 /nfs/dbraw/zinc/54/88/01/636548801.db2.gz FYXDCCKZCYBTAE-JGPRNRPPSA-N 0 3 240.372 2.436 10 0 BEAEHN CC(C)C[C@H](N)c1nc(C(C)(C)C)nn1C ZINC000054698749 640303383 /nfs/dbraw/zinc/30/33/83/640303383.db2.gz VHYODLYUGMVTEU-VIFPVBQESA-N 0 3 224.352 2.159 10 0 BEAEHN CC(C)[C@H](N)c1nc(C2CCCC2)nn1C ZINC000054699203 640321632 /nfs/dbraw/zinc/32/16/32/640321632.db2.gz DEVYYIPOIRQPQE-JTQLQIEISA-N 0 3 222.336 2.129 10 0 BEAEHN CC(C)[C@@H](N)c1nc(C2CCCC2)nn1C ZINC000054699204 640321908 /nfs/dbraw/zinc/32/19/08/640321908.db2.gz DEVYYIPOIRQPQE-SNVBAGLBSA-N 0 3 222.336 2.129 10 0 BEAEHN Cc1cc(N(C)CC2CCCCC2)nc(N)n1 ZINC000045726011 640654179 /nfs/dbraw/zinc/65/41/79/640654179.db2.gz LZRIVGHVHSUETF-UHFFFAOYSA-N 0 3 234.347 2.384 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1nc(C(C)(C)C)nn1C ZINC000054698700 640711327 /nfs/dbraw/zinc/71/13/27/640711327.db2.gz ABDNFRBMZPXXPK-RKDXNWHRSA-N 0 3 224.352 2.159 10 0 BEAEHN C[C@H](N[C@@H]1CCc2cccnc21)[C@@H]1CCCO1 ZINC000226802953 640798736 /nfs/dbraw/zinc/79/87/36/640798736.db2.gz YTLRHYWYSHSMAD-UHTWSYAYSA-N 0 3 232.327 2.226 10 0 BEAEHN c1cc(CNC[C@H]2COc3ccccc3O2)co1 ZINC000062103352 641019575 /nfs/dbraw/zinc/01/95/75/641019575.db2.gz IWSUJPSATYKYCO-LBPRGKRZSA-N 0 3 245.278 2.209 10 0 BEAEHN CCOC(=O)[C@H]1CCCN[C@@H]1c1ccsc1 ZINC000757211039 643370107 /nfs/dbraw/zinc/37/01/07/643370107.db2.gz FRMOFKRCLOPVPK-WDEREUQCSA-N 0 3 239.340 2.352 10 0 BEAEHN COC(=O)C[C@H](N)c1ccc(Cl)cc1F ZINC000095638359 644759844 /nfs/dbraw/zinc/75/98/44/644759844.db2.gz QFHAUVSVQKHQCI-VIFPVBQESA-N 0 3 231.654 2.042 10 0 BEAEHN COC[C@H](NCc1ncc(C)cc1C)C1CC1 ZINC000724043111 711557301 /nfs/dbraw/zinc/55/73/01/711557301.db2.gz LBACLYLPOVJBBS-AWEZNQCLSA-N 0 3 234.343 2.213 10 0 BEAEHN CCC[C@@H](C)CN[C@@H](C)c1nnc2n1CCC2 ZINC000037148542 711480536 /nfs/dbraw/zinc/48/05/36/711480536.db2.gz MHYANPWCTJRESC-MNOVXSKESA-N 0 3 236.363 2.311 10 0 BEAEHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCCN(C)C1 ZINC000134290167 711498319 /nfs/dbraw/zinc/49/83/19/711498319.db2.gz IYTZMLJZRSCLNN-JOYOIKCWSA-N 0 3 237.347 2.036 10 0 BEAEHN Cn1ncc(CN[C@@H]2CCCCCC2(C)C)n1 ZINC000719308486 712804249 /nfs/dbraw/zinc/80/42/49/712804249.db2.gz NRLNSSOYEQANOS-GFCCVEGCSA-N 0 3 236.363 2.264 10 0 BEAEHN Cc1occc1CN(C)c1ccncc1CO ZINC000126436974 962798310 /nfs/dbraw/zinc/79/83/10/962798310.db2.gz DQWRANTWIWYADM-UHFFFAOYSA-N 0 3 232.283 2.112 10 0 BEAEHN CC[C@@H](C)N[C@@H](CO)c1cc(F)ccc1F ZINC000038116692 1171021366 /nfs/dbraw/zinc/02/13/66/1171021366.db2.gz CUZPHJYPSGWKHC-PELKAZGASA-N 0 3 229.270 2.386 10 0 BEAEHN CNCc1cnc(C(Cl)(Cl)Cl)nc1 ZINC000685956635 538903516 /nfs/dbraw/zinc/90/35/16/538903516.db2.gz XNPIRKVKAISERB-UHFFFAOYSA-N 0 3 240.521 2.023 10 0 BEAEHN C[C@H](N)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962725 538909848 /nfs/dbraw/zinc/90/98/48/538909848.db2.gz RKJNCTHFOIQXTG-RYUDHWBXSA-N 0 3 235.327 2.146 10 0 BEAEHN C=C(OCC)c1ncccc1CNCC ZINC000685965185 538911432 /nfs/dbraw/zinc/91/14/32/538911432.db2.gz SFHYTJHEJHKRDY-UHFFFAOYSA-N 0 3 206.289 2.198 10 0 BEAEHN Cc1cc(CN)nc(Cc2ccc(C)c(C)c2)n1 ZINC000061682185 177983895 /nfs/dbraw/zinc/98/38/95/177983895.db2.gz WWPHOQXXSRCCOH-UHFFFAOYSA-N 0 3 241.338 2.451 10 0 BEAEHN Cc1cc(CN2CC[C@@H](CCO)C2)cs1 ZINC000336663629 178000041 /nfs/dbraw/zinc/00/00/41/178000041.db2.gz CQFCJMHPUJYBEK-NSHDSACASA-N 0 3 225.357 2.261 10 0 BEAEHN Cc1cc(CNC[C@H](C)O)ccc1OC(C)C ZINC000098126317 178024863 /nfs/dbraw/zinc/02/48/63/178024863.db2.gz YVZYESDSROFNCA-LBPRGKRZSA-N 0 3 237.343 2.253 10 0 BEAEHN Cc1cc(CN[C@H]2C[C@H](O)C2(C)C)cc(C)c1O ZINC000128228705 178042225 /nfs/dbraw/zinc/04/22/25/178042225.db2.gz OEKVOMQNESHVNY-STQMWFEESA-N 0 3 249.354 2.258 10 0 BEAEHN Cc1nc2c(Cl)cc(C)cn2c1CN ZINC000082694052 178062520 /nfs/dbraw/zinc/06/25/20/178062520.db2.gz KAVSYXNLIZCKNQ-UHFFFAOYSA-N 0 3 209.680 2.063 10 0 BEAEHN CCC(CC)C(=O)NCCN1CCCC[C@H]1C ZINC000129591425 168337485 /nfs/dbraw/zinc/33/74/85/168337485.db2.gz OOMHKFQGSNBMBH-GFCCVEGCSA-N 0 3 240.391 2.413 10 0 BEAEHN CCC(CC)C(=O)NCCN1CCCC[C@@H]1C ZINC000129591211 168337643 /nfs/dbraw/zinc/33/76/43/168337643.db2.gz OOMHKFQGSNBMBH-LBPRGKRZSA-N 0 3 240.391 2.413 10 0 BEAEHN Cc1cc(F)ccc1CN1CC[C@@H](CCO)C1 ZINC000128036933 178085259 /nfs/dbraw/zinc/08/52/59/178085259.db2.gz REKKCLGFYNEYGK-LBPRGKRZSA-N 0 3 237.318 2.338 10 0 BEAEHN CC[C@H](NC[C@@H]1CCCN1C)c1nccs1 ZINC000386271750 398204350 /nfs/dbraw/zinc/20/43/50/398204350.db2.gz ZUZNXYYQDJKHEM-QWRGUYRKSA-N 0 3 239.388 2.278 10 0 BEAEHN CC[C@@H](N[C@@H](C)c1ccc(C)c(F)c1)C(N)=O ZINC000094955291 398207278 /nfs/dbraw/zinc/20/72/78/398207278.db2.gz WNGPGORGVYWFCO-JOYOIKCWSA-N 0 3 238.306 2.049 10 0 BEAEHN Cc1cc(NC(=O)C[C@H](N)c2ccccc2)no1 ZINC000019518452 178134944 /nfs/dbraw/zinc/13/49/44/178134944.db2.gz IXPLDBYLSNQBHA-NSHDSACASA-N 0 3 245.282 2.012 10 0 BEAEHN CC(C)C[C@H](N)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366346259 187329101 /nfs/dbraw/zinc/32/91/01/187329101.db2.gz KSEJRHUFJRVJEY-AVGNSLFASA-N 0 3 238.375 2.151 10 0 BEAEHN Cc1cc(NCCN2CCC[C@@H](C)C2)nnc1C ZINC000302321421 178162185 /nfs/dbraw/zinc/16/21/85/178162185.db2.gz RINQETIJQZOJDG-LLVKDONJSA-N 0 3 248.374 2.237 10 0 BEAEHN F[C@@H](c1ccsn1)[C@@H]1CCCCN1 ZINC000306605460 398221891 /nfs/dbraw/zinc/22/18/91/398221891.db2.gz PVGGNFIWQSXEKD-IONNQARKSA-N 0 3 200.282 2.296 10 0 BEAEHN Cc1cc(OC[C@@H]2CNCCO2)ccc1Cl ZINC000011587441 178212380 /nfs/dbraw/zinc/21/23/80/178212380.db2.gz VKDUOJBKBUAHED-NSHDSACASA-N 0 3 241.718 2.016 10 0 BEAEHN Cc1cc([C@@]23C[C@@H]2CN(C)C3)ccc1F ZINC000034894431 178243805 /nfs/dbraw/zinc/24/38/05/178243805.db2.gz ZJDFOPYAGRPFLM-YPMHNXCESA-N 0 3 205.276 2.337 10 0 BEAEHN Cc1cc([C@H](C)NCCCn2ccnn2)c(C)o1 ZINC000126467155 178247394 /nfs/dbraw/zinc/24/73/94/178247394.db2.gz UGLHNPBIUBMZQV-NSHDSACASA-N 0 3 248.330 2.229 10 0 BEAEHN Cc1cc2c(cc1C)[S@@](=O)CCC[C@@H]2N ZINC000040974994 178287489 /nfs/dbraw/zinc/28/74/89/178287489.db2.gz WONRZYBSIWCUNT-XHDPSFHLSA-N 0 3 223.341 2.205 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1ccoc1 ZINC000168002843 538944736 /nfs/dbraw/zinc/94/47/36/538944736.db2.gz KEOVCKSRYQVWOG-DMDPSCGWSA-N 0 3 223.316 2.481 10 0 BEAEHN Cc1ccc(-c2ccc(CN)c(=O)[nH]2)c(C)c1 ZINC000043404354 178324244 /nfs/dbraw/zinc/32/42/44/178324244.db2.gz LKJUWWOFADNYCA-UHFFFAOYSA-N 0 3 228.295 2.117 10 0 BEAEHN CCC(CC)N(C)c1c(CNC)c(C)nn1C ZINC000036789477 168368529 /nfs/dbraw/zinc/36/85/29/168368529.db2.gz JQMFTLYVEBHHRU-UHFFFAOYSA-N 0 3 238.379 2.073 10 0 BEAEHN Cc1ccc(-c2ocnc2CN)cc1C ZINC000082639093 178345001 /nfs/dbraw/zinc/34/50/01/178345001.db2.gz FXHZESBEPWKNJX-UHFFFAOYSA-N 0 3 202.257 2.417 10 0 BEAEHN Cc1ccc(-c2ocnc2CN)c(C)c1 ZINC000082639116 178345190 /nfs/dbraw/zinc/34/51/90/178345190.db2.gz CTUVZGQLEKUFQM-UHFFFAOYSA-N 0 3 202.257 2.417 10 0 BEAEHN CCN1CCC[C@@H](c2[nH]nc3c2CCCCN3)C1 ZINC000003698320 342736685 /nfs/dbraw/zinc/73/66/85/342736685.db2.gz GGPAGYWSUHOXJM-LLVKDONJSA-N 0 3 248.374 2.357 10 0 BEAEHN COc1c(Cl)cc(Cl)cc1CN ZINC000035661839 342755042 /nfs/dbraw/zinc/75/50/42/342755042.db2.gz FFNJRSKFZOUBLN-UHFFFAOYSA-N 0 3 206.072 2.461 10 0 BEAEHN N[C@H](c1ccncc1)c1ccc(F)c(F)c1 ZINC000008699673 342802483 /nfs/dbraw/zinc/80/24/83/342802483.db2.gz BAVHAHNPJBRMCE-GFCCVEGCSA-N 0 3 220.222 2.408 10 0 BEAEHN CCOC(=O)[C@H]1CC=C(c2cc(N)ccn2)CC1 ZINC000148470737 342791475 /nfs/dbraw/zinc/79/14/75/342791475.db2.gz BWSLZOBBQFCFDS-NSHDSACASA-N 0 3 246.310 2.410 10 0 BEAEHN CCOC(=O)[C@@H]1CC=C(c2cc(N)ccn2)CC1 ZINC000148470902 342791508 /nfs/dbraw/zinc/79/15/08/342791508.db2.gz BWSLZOBBQFCFDS-LLVKDONJSA-N 0 3 246.310 2.410 10 0 BEAEHN NCc1ccnc(OCc2cccc(F)c2)c1 ZINC000149278793 342793764 /nfs/dbraw/zinc/79/37/64/342793764.db2.gz BRFXRMNYNNZSTC-UHFFFAOYSA-N 0 3 232.258 2.258 10 0 BEAEHN CCOC(=O)CN(CC1CCC1)C(C)(C)C ZINC000130782039 323012084 /nfs/dbraw/zinc/01/20/84/323012084.db2.gz UNLOKRQZFPWVRC-UHFFFAOYSA-N 0 3 227.348 2.450 10 0 BEAEHN CC(=O)Nc1ccccc1CN[C@@H]1C[C@@H]1C ZINC000085573338 398289628 /nfs/dbraw/zinc/28/96/28/398289628.db2.gz SVKZVZOFHPPKCU-TVQRCGJNSA-N 0 3 218.300 2.143 10 0 BEAEHN Cc1cccc([C@H](O)CN(C)C2CC2)c1 ZINC000044129526 538986538 /nfs/dbraw/zinc/98/65/38/538986538.db2.gz KILKTGYNWFXKOG-CYBMUJFWSA-N 0 3 205.301 2.123 10 0 BEAEHN Cc1n[nH]cc1[C@H](C)NC1CC(F)(F)C1 ZINC000380059450 538984215 /nfs/dbraw/zinc/98/42/15/538984215.db2.gz ZFSJWSOZMNZXLR-LURJTMIESA-N 0 3 215.247 2.166 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@H](C)c2ccoc2)C1 ZINC000381778251 539007166 /nfs/dbraw/zinc/00/71/66/539007166.db2.gz XKLAYXKOVBBCQH-DMDPSCGWSA-N 0 3 222.332 2.270 10 0 BEAEHN FC(F)c1ccc(N2CCNCC2)cc1 ZINC000259062528 342839239 /nfs/dbraw/zinc/83/92/39/342839239.db2.gz CAHYJXFWRVOLJM-UHFFFAOYSA-N 0 3 212.243 2.034 10 0 BEAEHN CCc1ccc([C@@H](C)NC(=O)[C@H](N)CC)cc1 ZINC000037016593 398299358 /nfs/dbraw/zinc/29/93/58/398299358.db2.gz AYZXZRHELGLNJQ-ZWNOBZJWSA-N 0 3 234.343 2.164 10 0 BEAEHN Cc1cc(C)n(C[C@@H](N)c2ccccc2)n1 ZINC000011849686 342843717 /nfs/dbraw/zinc/84/37/17/342843717.db2.gz FRIVAMXAKSUKOJ-CYBMUJFWSA-N 0 3 215.300 2.200 10 0 BEAEHN CC1(C)CCN(Cc2csc(CN)n2)CC1 ZINC000061823214 539015543 /nfs/dbraw/zinc/01/55/43/539015543.db2.gz HXLMVPHIGMLPDL-UHFFFAOYSA-N 0 3 239.388 2.224 10 0 BEAEHN C[C@@](F)(CN)Cc1cc(F)cc(F)c1 ZINC000165061945 342873549 /nfs/dbraw/zinc/87/35/49/342873549.db2.gz MFOHBRQIDWCXKL-JTQLQIEISA-N 0 3 203.207 2.194 10 0 BEAEHN CCCCCCNC(=O)[C@@]1(C)CCCCN1 ZINC000159551460 398342067 /nfs/dbraw/zinc/34/20/67/398342067.db2.gz FWDMXZIJPFIMEF-CYBMUJFWSA-N 0 3 226.364 2.215 10 0 BEAEHN NCc1ncccc1-n1ccc2ccccc21 ZINC000117991614 343031482 /nfs/dbraw/zinc/03/14/82/343031482.db2.gz UBAZZZLUMVHXJV-UHFFFAOYSA-N 0 3 223.279 2.484 10 0 BEAEHN CC1(C)CSC(NC[C@@H]2CCSC2)=N1 ZINC000228589034 362006631 /nfs/dbraw/zinc/00/66/31/362006631.db2.gz ULGIODJQXLSTNI-QMMMGPOBSA-N 0 3 230.402 2.211 10 0 BEAEHN N[C@H](CO)c1cccc(OCc2ccccc2)c1 ZINC000072198968 343069261 /nfs/dbraw/zinc/06/92/61/343069261.db2.gz ZJSLKMMZWDWGKU-OAHLLOKOSA-N 0 3 243.306 2.258 10 0 BEAEHN COc1cc([C@H]2CCC[NH2+]2)cc(Cl)c1[O-] ZINC000072202429 343071631 /nfs/dbraw/zinc/07/16/31/343071631.db2.gz BCSMAWNZVNCTDC-SECBINFHSA-N 0 3 227.691 2.479 10 0 BEAEHN CC(C)(C)OC(=O)[C@H]1C[Si]2(CCCC2)CN1 ZINC000584881675 343082716 /nfs/dbraw/zinc/08/27/16/343082716.db2.gz ZDEXIQVWWSXHHF-SNVBAGLBSA-N 0 3 241.407 2.082 10 0 BEAEHN CNc1c(N)cnc2c1cccc2C(C)C ZINC000584882899 343085635 /nfs/dbraw/zinc/08/56/35/343085635.db2.gz ZDAYXFLFGBEYEX-UHFFFAOYSA-N 0 3 215.300 2.404 10 0 BEAEHN CNCc1cc(C)c(Cl)nc1Cl ZINC000145073797 343090690 /nfs/dbraw/zinc/09/06/90/343090690.db2.gz AZOYOTYMYGHYKY-UHFFFAOYSA-N 0 3 205.088 2.416 10 0 BEAEHN N[C@@H]1CCOc2cc(OC(F)(F)F)ccc21 ZINC000217955199 343077475 /nfs/dbraw/zinc/07/74/75/343077475.db2.gz SEOUBRKETCCMIL-MRVPVSSYSA-N 0 3 233.189 2.368 10 0 BEAEHN CC(C)(C)[C@H](O)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000044177672 187232124 /nfs/dbraw/zinc/23/21/24/187232124.db2.gz XZTVKXLLPWCRJM-RWMBFGLXSA-N 0 3 241.375 2.037 10 0 BEAEHN CCC[C@@H](NC(=O)[C@@H](C)NC)c1ccccc1 ZINC000049753052 343116921 /nfs/dbraw/zinc/11/69/21/343116921.db2.gz CTHGNDLKDDRCBM-DGCLKSJQSA-N 0 3 234.343 2.252 10 0 BEAEHN CC[C@@H]1CS[C@@]2(CCCC[C@@H]2OC)N1 ZINC000233939701 343136842 /nfs/dbraw/zinc/13/68/42/343136842.db2.gz NHZRZSIMVRSLDK-OUAUKWLOSA-N 0 3 215.362 2.387 10 0 BEAEHN CC(C)(C)Sc1cccnc1C(=N)N ZINC000130946888 343182681 /nfs/dbraw/zinc/18/26/81/343182681.db2.gz QXIMHRYKQAICGX-UHFFFAOYSA-N 0 3 209.318 2.256 10 0 BEAEHN CCc1cccc(CC)c1NC(=O)[C@H](C)N ZINC000011957866 187250903 /nfs/dbraw/zinc/25/09/03/187250903.db2.gz BPEGXLVMGOSTGK-VIFPVBQESA-N 0 3 220.316 2.097 10 0 BEAEHN C[C@H]1CO[C@@H](c2ccc(F)c(F)c2)CN1 ZINC000036986469 187250466 /nfs/dbraw/zinc/25/04/66/187250466.db2.gz BGBQFXWOUGGBAE-WRWORJQWSA-N 0 3 213.227 2.014 10 0 BEAEHN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(N)=O ZINC000035138728 343286467 /nfs/dbraw/zinc/28/64/67/343286467.db2.gz KYZODSVXKZPITE-GHMZBOCLSA-N 0 3 242.322 2.364 10 0 BEAEHN CC(C)(C)c1c[nH]c([C@](C)(N)C2CC2)n1 ZINC000037479322 187251998 /nfs/dbraw/zinc/25/19/98/187251998.db2.gz UGTOOXGNWLMUKQ-GFCCVEGCSA-N 0 3 207.321 2.291 10 0 BEAEHN CC(C)[C@H](N)C(=O)Nc1cccc(Cl)c1F ZINC000020472606 187254328 /nfs/dbraw/zinc/25/43/28/187254328.db2.gz RELIEVVWVIOYHS-JTQLQIEISA-N 0 3 244.697 2.401 10 0 BEAEHN CC(C)(C)c1csc2ncc(CN)n12 ZINC000031973637 187256247 /nfs/dbraw/zinc/25/62/47/187256247.db2.gz NNSRODVHEBUBQO-UHFFFAOYSA-N 0 3 209.318 2.152 10 0 BEAEHN CC(C)[C@H](C)N(C)[C@@H]1COc2ccccc2[C@@H]1N ZINC000036787138 187258705 /nfs/dbraw/zinc/25/87/05/187258705.db2.gz LHYHBBTVKBRCLC-LNSITVRQSA-N 0 3 248.370 2.424 10 0 BEAEHN CC(C)C[C@@H](N)c1nnc2n1CCCCC2 ZINC000036896156 187258973 /nfs/dbraw/zinc/25/89/73/187258973.db2.gz CNHZMSLDGUISMT-SNVBAGLBSA-N 0 3 222.336 2.050 10 0 BEAEHN CC(C)C[C@@H](C)N(C)C(=O)[C@](C)(N)C1CC1 ZINC000037807375 187261073 /nfs/dbraw/zinc/26/10/73/187261073.db2.gz OBOSXILGHYDXTK-ZWNOBZJWSA-N 0 3 226.364 2.007 10 0 BEAEHN CCOc1cccc2c1CCN(CC)C2 ZINC000039099352 343382988 /nfs/dbraw/zinc/38/29/88/343382988.db2.gz PUUPYFBAFLZEFW-UHFFFAOYSA-N 0 3 205.301 2.463 10 0 BEAEHN CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819562 187261132 /nfs/dbraw/zinc/26/11/32/187261132.db2.gz CEQWWQQULNPMMY-WCQYABFASA-N 0 3 249.358 2.052 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819565 187261244 /nfs/dbraw/zinc/26/12/44/187261244.db2.gz CEQWWQQULNPMMY-YPMHNXCESA-N 0 3 249.358 2.052 10 0 BEAEHN CC(C)C[C@@H](CN(C)C)N[C@H](C)c1cc[nH]n1 ZINC000037908277 187260672 /nfs/dbraw/zinc/26/06/72/187260672.db2.gz SWQMOERHAUOFRE-NEPJUHHUSA-N 0 3 238.379 2.037 10 0 BEAEHN CC(C)(N)c1cn(CCCC2CCC2)nn1 ZINC000641090013 362215393 /nfs/dbraw/zinc/21/53/93/362215393.db2.gz YDUOLFQRDTZFSE-UHFFFAOYSA-N 0 3 222.336 2.052 10 0 BEAEHN Cc1cccc(CCNCc2ccnc(C)n2)c1 ZINC000054790914 136372990 /nfs/dbraw/zinc/37/29/90/136372990.db2.gz FHVFOSMWUOEYEO-UHFFFAOYSA-N 0 3 241.338 2.426 10 0 BEAEHN CCN1CCOC[C@H](c2cccc(OC)c2)C1 ZINC000616660454 343532784 /nfs/dbraw/zinc/53/27/84/343532784.db2.gz NAYDIOZZGWPVMC-CYBMUJFWSA-N 0 3 235.327 2.131 10 0 BEAEHN CC[C@@H](C)NCc1nn(C)nc1-c1ccccc1 ZINC000045944766 343536224 /nfs/dbraw/zinc/53/62/24/343536224.db2.gz UQCUABXSDPSPPK-LLVKDONJSA-N 0 3 244.342 2.370 10 0 BEAEHN NCc1ccccc1Oc1cccc(CO)c1 ZINC000043474700 187266809 /nfs/dbraw/zinc/26/68/09/187266809.db2.gz UUEAOMGYCHPPPH-UHFFFAOYSA-N 0 3 229.279 2.430 10 0 BEAEHN Cc1n[nH]c(C)c1[C@@H]1NCCc2ccsc21 ZINC000712501283 537787841 /nfs/dbraw/zinc/78/78/41/537787841.db2.gz XYDRPRPJZLNCCE-NSHDSACASA-N 0 3 233.340 2.323 10 0 BEAEHN c1cc2c(s1)[C@@]1(CO[C@@H](C3CC3)C1)NCC2 ZINC000712523761 537788747 /nfs/dbraw/zinc/78/87/47/537788747.db2.gz SMZVVGQKYRCZRW-DGCLKSJQSA-N 0 3 235.352 2.288 10 0 BEAEHN CC[C@H]1C[C@]2(CO1)NCCc1ccsc12 ZINC000712522516 537790892 /nfs/dbraw/zinc/79/08/92/537790892.db2.gz KBFUDUANZCTCLQ-CMPLNLGQSA-N 0 3 223.341 2.288 10 0 BEAEHN C[C@@H]1CC[C@@]2(CO1)NCCc1ccsc12 ZINC000712542743 537793430 /nfs/dbraw/zinc/79/34/30/537793430.db2.gz NSJCWWHECAXZTC-SKDRFNHKSA-N 0 3 223.341 2.288 10 0 BEAEHN CO[C@H](C)[C@]1(C)NCCc2ccsc21 ZINC000712553343 537793650 /nfs/dbraw/zinc/79/36/50/537793650.db2.gz QNGKNLHYZHEMHY-KCJUWKMLSA-N 0 3 211.330 2.144 10 0 BEAEHN C1=Nc2cc3cc4c(cc3cc2=C1)SCN=4 ZINC000045236129 187269734 /nfs/dbraw/zinc/26/97/34/187269734.db2.gz JWOOZLFGZZGGCW-UHFFFAOYSA-N 0 3 224.288 2.019 10 0 BEAEHN C[C@@H](N)c1ccccc1NC(=O)CC1CC1 ZINC000049728876 187270231 /nfs/dbraw/zinc/27/02/31/187270231.db2.gz HURIOUOVFGACFT-SECBINFHSA-N 0 3 218.300 2.445 10 0 BEAEHN CN1CCC=C[C@@H]1C[C@H](O)c1ccccc1 ZINC000207584720 343722031 /nfs/dbraw/zinc/72/20/31/343722031.db2.gz GWPTZCOGIWPPRH-KGLIPLIRSA-N 0 3 217.312 2.370 10 0 BEAEHN CC(C)Cn1cnnc1C1(N)CCCCC1 ZINC000054526126 187272581 /nfs/dbraw/zinc/27/25/81/187272581.db2.gz QNZSCRFAHLKUHD-UHFFFAOYSA-N 0 3 222.336 2.052 10 0 BEAEHN Cn1nc([C@H]2CCCCN2)c2c1CCCC2 ZINC000215731262 343792706 /nfs/dbraw/zinc/79/27/06/343792706.db2.gz PZUQSGSURYAABT-LLVKDONJSA-N 0 3 219.332 2.114 10 0 BEAEHN C=Cc1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000409423924 343816808 /nfs/dbraw/zinc/81/68/08/343816808.db2.gz RPGFGXSNVWRYRT-CQSZACIVSA-N 0 3 217.312 2.286 10 0 BEAEHN C[C@@H]1C[C@H](n2cc(CN)nn2)CC(C)(C)C1 ZINC000409424844 343817569 /nfs/dbraw/zinc/81/75/69/343817569.db2.gz YTNQRUFEROSFOQ-KOLCDFICSA-N 0 3 222.336 2.124 10 0 BEAEHN NC[C@H](N)c1cc(C(F)(F)F)ccc1Cl ZINC000072201404 343823124 /nfs/dbraw/zinc/82/31/24/343823124.db2.gz UQZMQFQURJFZJS-QMMMGPOBSA-N 0 3 238.640 2.317 10 0 BEAEHN Cc1nc(N)cc(N2[C@@H](C)CCC[C@@H]2C)n1 ZINC000409431364 343823156 /nfs/dbraw/zinc/82/31/56/343823156.db2.gz POUITQNBOMVVCO-IUCAKERBSA-N 0 3 220.320 2.135 10 0 BEAEHN CNCc1cccc(OCc2ccccc2)n1 ZINC000051523231 349871703 /nfs/dbraw/zinc/87/17/03/349871703.db2.gz VIMLZNOWNCHIRA-UHFFFAOYSA-N 0 3 228.295 2.380 10 0 BEAEHN NCc1cc(Cc2ccc(Cl)cc2)ncn1 ZINC000409436714 343836489 /nfs/dbraw/zinc/83/64/89/343836489.db2.gz XHOSJRHZSCJGLF-UHFFFAOYSA-N 0 3 233.702 2.180 10 0 BEAEHN CNCc1cn(CC2CC2)nc1C(F)(F)F ZINC000409436964 343841822 /nfs/dbraw/zinc/84/18/22/343841822.db2.gz CSAQLLZTLWBEEE-UHFFFAOYSA-N 0 3 233.237 2.031 10 0 BEAEHN CNCc1c(C(F)(F)F)n[nH]c1C1CC1 ZINC000409437500 343843600 /nfs/dbraw/zinc/84/36/00/343843600.db2.gz HHCVTCZMVTZWRW-UHFFFAOYSA-N 0 3 219.210 2.025 10 0 BEAEHN CN[C@@H](Cc1cccc(F)c1)c1nccn1C ZINC000069473588 537822598 /nfs/dbraw/zinc/82/25/98/537822598.db2.gz LNSSMHBUKUELQS-LBPRGKRZSA-N 0 3 233.290 2.062 10 0 BEAEHN CN1C[C@H](CO)C[C@H]1c1ccccc1Cl ZINC000409438925 343845869 /nfs/dbraw/zinc/84/58/69/343845869.db2.gz FACRMOQYPDSYGX-SKDRFNHKSA-N 0 3 225.719 2.325 10 0 BEAEHN NCc1cc(C2CCC2)nc(C2CC2)n1 ZINC000409437906 343849367 /nfs/dbraw/zinc/84/93/67/343849367.db2.gz JEQOQVRJZFLBJC-UHFFFAOYSA-N 0 3 203.289 2.080 10 0 BEAEHN CNCc1cn(CC(C)C)nc1C(F)(F)F ZINC000409440149 343850906 /nfs/dbraw/zinc/85/09/06/343850906.db2.gz SFLFQFOBJQRMNO-UHFFFAOYSA-N 0 3 235.253 2.277 10 0 BEAEHN NCc1cc(-c2ccsc2)nn1C(F)F ZINC000409443846 343863378 /nfs/dbraw/zinc/86/33/78/343863378.db2.gz VHZRSOPBYNVLOU-UHFFFAOYSA-N 0 3 229.255 2.465 10 0 BEAEHN CC(C)(C)OC(=O)CCN1CCCSCC1 ZINC000128876819 187285948 /nfs/dbraw/zinc/28/59/48/187285948.db2.gz JAUFEEDEBWXRJI-UHFFFAOYSA-N 0 3 245.388 2.157 10 0 BEAEHN COC(=O)c1ccc(CN[C@@H]2C[C@@H]2C)cc1F ZINC000234596579 344155218 /nfs/dbraw/zinc/15/52/18/344155218.db2.gz GFHGRXMDZWFABT-QPUJVOFHSA-N 0 3 237.274 2.110 10 0 BEAEHN COC(=O)c1ccc(CN[C@H]2C[C@@H]2C)cc1F ZINC000234601301 344155770 /nfs/dbraw/zinc/15/57/70/344155770.db2.gz GFHGRXMDZWFABT-UFBFGSQYSA-N 0 3 237.274 2.110 10 0 BEAEHN COC(C)(C)C[C@@H]1NC[C@H](C)CS1 ZINC000234615385 344156778 /nfs/dbraw/zinc/15/67/78/344156778.db2.gz OPHADAUENBYTOI-DTWKUNHWSA-N 0 3 203.351 2.100 10 0 BEAEHN C[C@H]1C[C@H](N)c2nc(C(F)(F)F)ccc2N1 ZINC000218061493 344214379 /nfs/dbraw/zinc/21/43/79/344214379.db2.gz OMBQLJBDANDAIU-WDSKDSINSA-N 0 3 231.221 2.304 10 0 BEAEHN CCC[C@@H](C)CN1CCCC[C@@H]1C(=O)OC ZINC000131092909 344229463 /nfs/dbraw/zinc/22/94/63/344229463.db2.gz FRMHTFATAARHDN-VXGBXAGGSA-N 0 3 227.348 2.450 10 0 BEAEHN COc1cc(C2CCN(C)CC2)ccc1O ZINC000026943593 344206031 /nfs/dbraw/zinc/20/60/31/344206031.db2.gz FHZAJALXLGGOEP-UHFFFAOYSA-N 0 3 221.300 2.210 10 0 BEAEHN CNCc1ccc(F)c(Br)c1F ZINC000216972209 344332098 /nfs/dbraw/zinc/33/20/98/344332098.db2.gz WPPDNCBFTUZQOU-UHFFFAOYSA-N 0 3 236.059 2.447 10 0 BEAEHN N[C@@H](CC1OCCO1)c1ccc(Cl)s1 ZINC000236303265 344354651 /nfs/dbraw/zinc/35/46/51/344354651.db2.gz IRRLSCTYFGCXPV-LURJTMIESA-N 0 3 233.720 2.164 10 0 BEAEHN CCC[C@](C)(N)C(=O)NCC1CCCCC1 ZINC000037481385 344508963 /nfs/dbraw/zinc/50/89/63/344508963.db2.gz CVUHWJQZWJQEIC-ZDUSSCGKSA-N 0 3 226.364 2.200 10 0 BEAEHN CCC1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC000127456933 344541834 /nfs/dbraw/zinc/54/18/34/344541834.db2.gz DZLPGZLWZVDHQB-UHFFFAOYSA-N 0 3 240.391 2.412 10 0 BEAEHN F[C@]1(CC[C@@H]2CCCO2)CCCNC1 ZINC000158097759 344542049 /nfs/dbraw/zinc/54/20/49/344542049.db2.gz ZSEGOSDZCWHESW-QWRGUYRKSA-N 0 3 201.285 2.037 10 0 BEAEHN CC(C)C[C@H](C)[C@H]1NCCc2nc[nH]c21 ZINC000400408732 537853641 /nfs/dbraw/zinc/85/36/41/537853641.db2.gz ROMPDCYJOYENHL-GXSJLCMTSA-N 0 3 207.321 2.279 10 0 BEAEHN C[C@@H]1CCC[C@H]([C@H]2NCCc3nc[nH]c32)C1 ZINC000400389289 537853233 /nfs/dbraw/zinc/85/32/33/537853233.db2.gz JURBAHRKGDTISC-JFGNBEQYSA-N 0 3 219.332 2.423 10 0 BEAEHN CC(C)[C@@H](O)CCN[C@@H](C)c1ccccn1 ZINC000127544835 192075569 /nfs/dbraw/zinc/07/55/69/192075569.db2.gz VWLMFORMOTUGEP-AAEUAGOBSA-N 0 3 222.332 2.139 10 0 BEAEHN C[C@@H]1CCC[C@]2(CC1)NCCc1nc[nH]c12 ZINC000400386595 537854854 /nfs/dbraw/zinc/85/48/54/537854854.db2.gz NJUVMKOCGYUMAS-ZWNOBZJWSA-N 0 3 219.332 2.351 10 0 BEAEHN CC1([C@@H]2NCCc3nc[nH]c32)CCCC1 ZINC000400382893 537855673 /nfs/dbraw/zinc/85/56/73/537855673.db2.gz LUAGTHZYCNEARM-LLVKDONJSA-N 0 3 205.305 2.177 10 0 BEAEHN CSC(C)(C)C[C@H]1NCCc2nc[nH]c21 ZINC000400420405 537857311 /nfs/dbraw/zinc/85/73/11/537857311.db2.gz XISVMZOSAMUQND-SECBINFHSA-N 0 3 225.361 2.128 10 0 BEAEHN FC(F)(F)Oc1ccc(COC2CNC2)cc1 ZINC000062809755 347082321 /nfs/dbraw/zinc/08/23/21/347082321.db2.gz AEVJUPIEBLKFQL-UHFFFAOYSA-N 0 3 247.216 2.074 10 0 BEAEHN CS[C@@H]1CCCC[C@H]1NC1=NCCS1 ZINC000235177169 344835465 /nfs/dbraw/zinc/83/54/65/344835465.db2.gz KJPWBMMTHAZRID-RKDXNWHRSA-N 0 3 230.402 2.353 10 0 BEAEHN C[C@@H]1CNC[C@H](c2csc(Cl)c2)O1 ZINC000235345106 344889402 /nfs/dbraw/zinc/88/94/02/344889402.db2.gz DNKSKKOOUVBFHE-HTRCEHHLSA-N 0 3 217.721 2.451 10 0 BEAEHN Cc1csc([C@@]2(N)CCS[C@H]2C)n1 ZINC000235395779 344901083 /nfs/dbraw/zinc/90/10/83/344901083.db2.gz OAQYDMYYJBOQSI-IONNQARKSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1cccc(CNc2nccn2C)c1 ZINC000050605972 187295476 /nfs/dbraw/zinc/29/54/76/187295476.db2.gz YBARXOISPXFBHU-UHFFFAOYSA-N 0 3 201.273 2.341 10 0 BEAEHN N[C@@H](CCO)c1cccc(C(F)(F)F)c1F ZINC000044233021 344988503 /nfs/dbraw/zinc/98/85/03/344988503.db2.gz UCTGVFVBETVPMF-QMMMGPOBSA-N 0 3 237.196 2.227 10 0 BEAEHN Cn1cccc1[C@@H](N)COc1ccccc1 ZINC000011848717 345031386 /nfs/dbraw/zinc/03/13/86/345031386.db2.gz VEWYHFIGTBDTJM-LBPRGKRZSA-N 0 3 216.284 2.104 10 0 BEAEHN Cc1cc(C)n(C[C@@H](N)c2cccs2)n1 ZINC000011850012 345033475 /nfs/dbraw/zinc/03/34/75/345033475.db2.gz MAYLWFBONQSHDV-SNVBAGLBSA-N 0 3 221.329 2.261 10 0 BEAEHN NCc1cncc(OC(F)(F)F)c1Cl ZINC000238571971 345080463 /nfs/dbraw/zinc/08/04/63/345080463.db2.gz CMCIMABMTVIFAB-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN C[C@H](N)C(=O)Nc1c(Cl)cccc1Cl ZINC000011958155 345089602 /nfs/dbraw/zinc/08/96/02/345089602.db2.gz VUHKFNXLSWNTOH-YFKPBYRVSA-N 0 3 233.098 2.279 10 0 BEAEHN NCc1cc(OC(F)(F)F)cc(Cl)n1 ZINC000238675107 345106763 /nfs/dbraw/zinc/10/67/63/345106763.db2.gz XQYAPDNHOCOJQW-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN Nc1cc(OCc2cccs2)ccn1 ZINC000227671166 345263938 /nfs/dbraw/zinc/26/39/38/345263938.db2.gz NIGMRPNNOURHCW-UHFFFAOYSA-N 0 3 206.270 2.304 10 0 BEAEHN CC(C)C(=O)O[C@@H]1CCCN2CCCC[C@@H]12 ZINC000031560039 345577477 /nfs/dbraw/zinc/57/74/77/345577477.db2.gz AKINKDOLVIOTCB-NWDGAFQWSA-N 0 3 225.332 2.203 10 0 BEAEHN Cc1ccc([C@@H]2CNC[C@@H](C)O2)cc1C ZINC000036673368 178874986 /nfs/dbraw/zinc/87/49/86/178874986.db2.gz CFSNTBJKFCMZRG-YPMHNXCESA-N 0 3 205.301 2.353 10 0 BEAEHN C[C@H]1CC(N)=NN1c1ccccc1Cl ZINC000137409496 345625761 /nfs/dbraw/zinc/62/57/61/345625761.db2.gz DBFGEQQYXYSILM-ZETCQYMHSA-N 0 3 209.680 2.211 10 0 BEAEHN C[C@@H]1CCn2cc([C@@H]3CCCCN3)nc2C1 ZINC000258142955 345779702 /nfs/dbraw/zinc/77/97/02/345779702.db2.gz DDPRCFAYPXNLIP-MNOVXSKESA-N 0 3 219.332 2.280 10 0 BEAEHN C[C@H]1CCc2nc([C@H]3CCCCN3)cn2C1 ZINC000258487928 345784356 /nfs/dbraw/zinc/78/43/56/345784356.db2.gz QUCSTXBJJMZJDV-WDEREUQCSA-N 0 3 219.332 2.280 10 0 BEAEHN Cc1ccc([S@](=O)[C@@H]2CCCNC2)cc1C ZINC000083295227 178934329 /nfs/dbraw/zinc/93/43/29/178934329.db2.gz SIWROMJRAYQYHZ-CZUORRHYSA-N 0 3 237.368 2.163 10 0 BEAEHN Cc1cccc(C(=O)CNC(C)C)c1C ZINC000082532371 179004630 /nfs/dbraw/zinc/00/46/30/179004630.db2.gz VRLRZHJOPJTRTK-UHFFFAOYSA-N 0 3 205.301 2.484 10 0 BEAEHN Cc1ncc(CNCC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000628260640 346259999 /nfs/dbraw/zinc/25/99/99/346259999.db2.gz PBUPNIORXAXGFD-UWVGGRQHSA-N 0 3 238.331 2.276 10 0 BEAEHN Cc1cccc(CN(C)C(=O)[C@](C)(N)C2CC2)c1 ZINC000037807918 179063047 /nfs/dbraw/zinc/06/30/47/179063047.db2.gz NIJABDKSIXYGEO-OAHLLOKOSA-N 0 3 246.354 2.081 10 0 BEAEHN NCc1nc2ccccc2cc1Br ZINC000158434377 346396540 /nfs/dbraw/zinc/39/65/40/346396540.db2.gz UFJPLYDADAKBNQ-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN CCC[C@H](C)CN1CCN(CCOC)[C@@H](C)C1 ZINC000245845485 323124092 /nfs/dbraw/zinc/12/40/92/323124092.db2.gz LANBPBHNSJPDPC-KBPBESRZSA-N 0 3 242.407 2.075 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnc(C)n1C ZINC000563440536 323126041 /nfs/dbraw/zinc/12/60/41/323126041.db2.gz QSHGXNQSTBNIQQ-ZYHUDNBSSA-N 0 3 207.321 2.007 10 0 BEAEHN Cc1cccc(CNCC2(O)CCCCC2)n1 ZINC000051576175 179090854 /nfs/dbraw/zinc/09/08/54/179090854.db2.gz CJWFKZFNDUPDQG-UHFFFAOYSA-N 0 3 234.343 2.175 10 0 BEAEHN Cc1cccc(CNC[C@@H]2CCC=CO2)n1 ZINC000051575550 179091650 /nfs/dbraw/zinc/09/16/50/179091650.db2.gz LVARPJJRTVWIPD-ZDUSSCGKSA-N 0 3 218.300 2.172 10 0 BEAEHN Cc1cccc(CNC[C@@H]2CCC[C@@H]2O)c1F ZINC000295772422 179092674 /nfs/dbraw/zinc/09/26/74/179092674.db2.gz QYUKUYVDMXITBA-AAEUAGOBSA-N 0 3 237.318 2.385 10 0 BEAEHN Cc1cccc(CNCc2cn[nH]c2)c1 ZINC000038005613 179095585 /nfs/dbraw/zinc/09/55/85/179095585.db2.gz NKOABBZHHSKZPF-UHFFFAOYSA-N 0 3 201.273 2.008 10 0 BEAEHN CC1CC(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000580063509 346505639 /nfs/dbraw/zinc/50/56/39/346505639.db2.gz GDADRQGSEVVYLO-UHFFFAOYSA-N 0 3 244.338 2.317 10 0 BEAEHN CN(Cc1cc(CN)c(F)cc1F)C1CC1 ZINC000669380147 537984434 /nfs/dbraw/zinc/98/44/34/537984434.db2.gz RHACTFCQDXDMEG-UHFFFAOYSA-N 0 3 226.270 2.018 10 0 BEAEHN CCSCC[C@H](CO)NCc1ccccc1 ZINC000164062238 346588547 /nfs/dbraw/zinc/58/85/47/346588547.db2.gz LOUBJRVRDMMRBR-CYBMUJFWSA-N 0 3 239.384 2.280 10 0 BEAEHN Cc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170874820 179132243 /nfs/dbraw/zinc/13/22/43/179132243.db2.gz PDYGZSCIKKIZEY-CYBMUJFWSA-N 0 3 247.342 2.163 10 0 BEAEHN Cc1c(Cl)nc(CCN(C)C)nc1Cl ZINC000167762254 346716689 /nfs/dbraw/zinc/71/66/89/346716689.db2.gz PEKGJHSQMZEUIU-UHFFFAOYSA-N 0 3 234.130 2.196 10 0 BEAEHN COC(=O)CCN[C@H](C)c1cccc(C)c1 ZINC000037252150 346679602 /nfs/dbraw/zinc/67/96/02/346679602.db2.gz JVJCCZJUPPVJTQ-LLVKDONJSA-N 0 3 221.300 2.209 10 0 BEAEHN Cc1cccc([C@@H](N)c2cnn(C)c2)c1C ZINC000034957673 179187288 /nfs/dbraw/zinc/18/72/88/179187288.db2.gz YEKFTSDOGUQZOO-ZDUSSCGKSA-N 0 3 215.300 2.085 10 0 BEAEHN O=C1CCC[C@@]2(C1)NCCc1sccc12 ZINC000725242896 537988044 /nfs/dbraw/zinc/98/80/44/537988044.db2.gz UMKFKBQBJNRVOE-LBPRGKRZSA-N 0 3 221.325 2.232 10 0 BEAEHN COC[C@H](C)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000187304096 347253258 /nfs/dbraw/zinc/25/32/58/347253258.db2.gz FZPSPAMIGXUFPH-DGCLKSJQSA-N 0 3 237.347 2.219 10 0 BEAEHN CC(C)N(C)Cc1cc(CN)c(F)cc1F ZINC000669380449 537989369 /nfs/dbraw/zinc/98/93/69/537989369.db2.gz ZPNWJHYBSWKECD-UHFFFAOYSA-N 0 3 228.286 2.264 10 0 BEAEHN CCN[C@@H](CC)c1cn(C(C)(C)C)nn1 ZINC000616568638 347452270 /nfs/dbraw/zinc/45/22/70/347452270.db2.gz DDMDTAIADDBMCU-VIFPVBQESA-N 0 3 210.325 2.094 10 0 BEAEHN Cc1ccccc1CCNCc1cncnc1 ZINC000112338633 179265804 /nfs/dbraw/zinc/26/58/04/179265804.db2.gz WTNBNIGBDSNKES-UHFFFAOYSA-N 0 3 227.311 2.117 10 0 BEAEHN Cc1ccccc1N(C)C(=O)[C@H]1CCC[C@@H](C)N1 ZINC000049990847 179294022 /nfs/dbraw/zinc/29/40/22/179294022.db2.gz IPFPHYLYXMKAIA-CHWSQXEVSA-N 0 3 246.354 2.488 10 0 BEAEHN Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000019439666 179301261 /nfs/dbraw/zinc/30/12/61/179301261.db2.gz SUHYMVVYTIPOSB-YPMHNXCESA-N 0 3 232.327 2.464 10 0 BEAEHN Cc1ccccc1[C@@H](N)COC[C@@H]1CCOC1 ZINC000049689339 179324609 /nfs/dbraw/zinc/32/46/09/179324609.db2.gz PVUBOTCSJIWUGB-OCCSQVGLSA-N 0 3 235.327 2.048 10 0 BEAEHN Cc1ccccc1[C@@H](N)COCC1CCOCC1 ZINC000052153351 179324960 /nfs/dbraw/zinc/32/49/60/179324960.db2.gz KSGNWJAQTVYOEJ-HNNXBMFYSA-N 0 3 249.354 2.438 10 0 BEAEHN CN[C@@H]1CCCc2c(OC)ccc(F)c21 ZINC000616570267 347966753 /nfs/dbraw/zinc/96/67/53/347966753.db2.gz GHLAHJSUMNFEDO-SNVBAGLBSA-N 0 3 209.264 2.431 10 0 BEAEHN Cc1ccccc1[C@@H]1CC2(CCN1)OCCO2 ZINC000041260654 179328301 /nfs/dbraw/zinc/32/83/01/179328301.db2.gz LNLUVDUFUAONEI-ZDUSSCGKSA-N 0 3 233.311 2.163 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)C1(N)CCCC1 ZINC000040854792 179336468 /nfs/dbraw/zinc/33/64/68/179336468.db2.gz RNVKNNXDXXRMCI-LBPRGKRZSA-N 0 3 246.354 2.444 10 0 BEAEHN Cc1ccccc1[C@H](C)NCC(=O)N1CCCC1 ZINC000042213273 179337032 /nfs/dbraw/zinc/33/70/32/179337032.db2.gz RGSDRRUXQMFZGM-ZDUSSCGKSA-N 0 3 246.354 2.268 10 0 BEAEHN COc1ccc(C)cc1CN[C@H]1CCC[C@@H](O)C1 ZINC000037166121 348024879 /nfs/dbraw/zinc/02/48/79/348024879.db2.gz XTZCDDHMCCCFKA-UONOGXRCSA-N 0 3 249.354 2.397 10 0 BEAEHN COc1ccc(C)cc1CN[C@H]1CCC[C@H](O)C1 ZINC000037166119 348024987 /nfs/dbraw/zinc/02/49/87/348024987.db2.gz XTZCDDHMCCCFKA-KBPBESRZSA-N 0 3 249.354 2.397 10 0 BEAEHN Cc1ccccc1[C@H](N)CN1C[C@@H](C)O[C@H](C)C1 ZINC000023069419 179343097 /nfs/dbraw/zinc/34/30/97/179343097.db2.gz UEYBYDANMMMVHK-UMVBOHGHSA-N 0 3 248.370 2.104 10 0 BEAEHN Cc1ccccc1[C@H](NC1CCCC1)C(N)=O ZINC000037968866 179344157 /nfs/dbraw/zinc/34/41/57/179344157.db2.gz HVHGIIMCQLBBGR-ZDUSSCGKSA-N 0 3 232.327 2.054 10 0 BEAEHN CCOc1nscc1CNC(C)C ZINC000669381531 537997849 /nfs/dbraw/zinc/99/78/49/537997849.db2.gz NEFKBAQYQUDNNE-UHFFFAOYSA-N 0 3 200.307 2.040 10 0 BEAEHN CC[C@@H]1CS[C@@]2(CS[C@H](C)C2)N1 ZINC000251378711 362868046 /nfs/dbraw/zinc/86/80/46/362868046.db2.gz VROQSYYGOIRWRC-HLTSFMKQSA-N 0 3 203.376 2.323 10 0 BEAEHN CN(Cc1ccsc1)[C@H]1CCC[C@@H]1O ZINC000037489698 348622537 /nfs/dbraw/zinc/62/25/37/348622537.db2.gz GGNODZFCBYZGDB-QWRGUYRKSA-N 0 3 211.330 2.093 10 0 BEAEHN CCCN1C[C@@]2(C[C@@H]2N)c2cc(C)ccc21 ZINC000725246942 538009776 /nfs/dbraw/zinc/00/97/76/538009776.db2.gz BJWJKNXVHFYOCV-KBPBESRZSA-N 0 3 216.328 2.194 10 0 BEAEHN N[C@@H]1C[C@]12CNc1c2c(Cl)ccc1Cl ZINC000725247316 538011145 /nfs/dbraw/zinc/01/11/45/538011145.db2.gz MDVVREBKRCHWQO-XCBNKYQSSA-N 0 3 229.110 2.388 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)[C@]1(C[C@H]1N)CN2 ZINC000725246989 538011227 /nfs/dbraw/zinc/01/12/27/538011227.db2.gz CPGFOMCYNGSSPO-OCCSQVGLSA-N 0 3 216.328 2.378 10 0 BEAEHN N[C@H]1C[C@@]12CNc1c2c(Cl)ccc1Cl ZINC000725247314 538012216 /nfs/dbraw/zinc/01/22/16/538012216.db2.gz MDVVREBKRCHWQO-OIBJUYFYSA-N 0 3 229.110 2.388 10 0 BEAEHN CC(C)(C)[C@@H](N)c1n[nH]c(C2CCC2)n1 ZINC000616574621 349080368 /nfs/dbraw/zinc/08/03/68/349080368.db2.gz UFMGKAUKENZUBS-QMMMGPOBSA-N 0 3 208.309 2.118 10 0 BEAEHN CC[C@@H](C)c1nc2c(n1C)[C@H](N)CCC2 ZINC000725253380 538037462 /nfs/dbraw/zinc/03/74/62/538037462.db2.gz JRVUMDZGUVFQLS-RKDXNWHRSA-N 0 3 207.321 2.270 10 0 BEAEHN C[C@H](N[C@H]1CCCCC[C@H]1O)c1ccccn1 ZINC000160848027 349331069 /nfs/dbraw/zinc/33/10/69/349331069.db2.gz YJMKRUFZKGKVOS-FPMFFAJLSA-N 0 3 234.343 2.426 10 0 BEAEHN O[C@]12CCCC[C@@H]1CN(Cc1ccco1)CC2 ZINC000160841942 349335654 /nfs/dbraw/zinc/33/56/54/349335654.db2.gz XKPRMTPTRLGDCI-OCCSQVGLSA-N 0 3 235.327 2.407 10 0 BEAEHN OCCN1CC[C@H](c2ccc3ccccc3n2)C1 ZINC000616613756 350067255 /nfs/dbraw/zinc/06/72/55/350067255.db2.gz PMCKCMKMNHXYKD-ZDUSSCGKSA-N 0 3 242.322 2.016 10 0 BEAEHN C[C@@H](C1CC1)N(CC(=O)NC(C)(C)C)C1CC1 ZINC000042123189 323242477 /nfs/dbraw/zinc/24/24/77/323242477.db2.gz HUUMOIHMHPTBOW-JTQLQIEISA-N 0 3 238.375 2.164 10 0 BEAEHN Cc1nc(N2CCCC2)sc1CNC1CC1 ZINC000045206752 180000337 /nfs/dbraw/zinc/00/03/37/180000337.db2.gz XAOGZTUOHIAVIW-UHFFFAOYSA-N 0 3 237.372 2.304 10 0 BEAEHN C[C@@H](NCC[C@@H]1CCCO1)c1cncc(F)c1 ZINC000131991608 191019846 /nfs/dbraw/zinc/01/98/46/191019846.db2.gz WRSVDYHXDPRKDM-MFKMUULPSA-N 0 3 238.306 2.440 10 0 BEAEHN Cc1nc([C@H](C)N[C@@H]2CN(C)C[C@H]2C)cs1 ZINC000336731348 180051839 /nfs/dbraw/zinc/05/18/39/180051839.db2.gz FFYBSETZPDNCPO-WCABBAIRSA-N 0 3 239.388 2.052 10 0 BEAEHN Cc1nc([C@H](N)Cc2ccccc2)[nH]c1C ZINC000036873967 180052489 /nfs/dbraw/zinc/05/24/89/180052489.db2.gz PFGRACVBXDCHKR-GFCCVEGCSA-N 0 3 215.300 2.269 10 0 BEAEHN Cc1nc([C@]2(N)CCN(C(C)C)C2)sc1C ZINC000045659866 180059906 /nfs/dbraw/zinc/05/99/06/180059906.db2.gz NNCALWCDHILDLN-LBPRGKRZSA-N 0 3 239.388 2.028 10 0 BEAEHN Cc1nc2c(C)cc(Cl)cn2c1CN ZINC000082693383 180063794 /nfs/dbraw/zinc/06/37/94/180063794.db2.gz MWCMKXYQZMNAEZ-UHFFFAOYSA-N 0 3 209.680 2.063 10 0 BEAEHN Cc1cccc(CNCC[C@@H](C)[S@@](C)=O)c1 ZINC000132568449 191033854 /nfs/dbraw/zinc/03/38/54/191033854.db2.gz BMKDOULFJJPOEN-WBMJQRKESA-N 0 3 239.384 2.242 10 0 BEAEHN Cc1ncc(CN[C@H]2CCCCC[C@H]2O)s1 ZINC000040997927 180157735 /nfs/dbraw/zinc/15/77/35/180157735.db2.gz UJAOTFWMSYJIIQ-NWDGAFQWSA-N 0 3 240.372 2.235 10 0 BEAEHN Cc1nccc(CNCCc2ccccc2)n1 ZINC000037997765 180188938 /nfs/dbraw/zinc/18/89/38/180188938.db2.gz DQWULPSTKKEUHB-UHFFFAOYSA-N 0 3 227.311 2.117 10 0 BEAEHN Cc1ncccc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000165320743 180228462 /nfs/dbraw/zinc/22/84/62/180228462.db2.gz FCQFRXWNMRZLSC-ZYHUDNBSSA-N 0 3 231.343 2.427 10 0 BEAEHN Cc1ncn([C@H]2Cc3ccccc3[C@H]2N)c1C ZINC000051926452 180288991 /nfs/dbraw/zinc/28/89/91/180288991.db2.gz LDMPNTXERQRTJD-UONOGXRCSA-N 0 3 227.311 2.297 10 0 BEAEHN CSc1c(CN)cnc2ccccc21 ZINC000038063925 350301753 /nfs/dbraw/zinc/30/17/53/350301753.db2.gz WONRCHANWWLFEE-UHFFFAOYSA-N 0 3 204.298 2.415 10 0 BEAEHN N[C@@H](CO)c1ccc(SC(F)(F)F)cc1 ZINC000038124673 350307208 /nfs/dbraw/zinc/30/72/08/350307208.db2.gz GADBDLXQPZPQLW-QMMMGPOBSA-N 0 3 237.246 2.291 10 0 BEAEHN N[C@H](Cc1cccs1)c1cccnc1 ZINC000038128691 350308685 /nfs/dbraw/zinc/30/86/85/350308685.db2.gz DHNQNNPMJGABNI-LLVKDONJSA-N 0 3 204.298 2.386 10 0 BEAEHN Cc1ncsc1[C@H](C)N[C@H]1CCCN(C)C1 ZINC000040673144 180327215 /nfs/dbraw/zinc/32/72/15/180327215.db2.gz JUSQGPZGJHZGCV-QWRGUYRKSA-N 0 3 239.388 2.196 10 0 BEAEHN CCN1CCO[C@@H](c2ccc(OC)cc2)CC1 ZINC000616592597 350468324 /nfs/dbraw/zinc/46/83/24/350468324.db2.gz CSPCCTUOZRZPKS-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN OC1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC000409434638 350478819 /nfs/dbraw/zinc/47/88/19/350478819.db2.gz ZOXNDHNJARRSBL-UHFFFAOYSA-N 0 3 231.339 2.424 10 0 BEAEHN NCc1cnc(-c2ccncc2)c(Cl)c1 ZINC000409436601 350479590 /nfs/dbraw/zinc/47/95/90/350479590.db2.gz MBJZTEIEAYUCLZ-UHFFFAOYSA-N 0 3 219.675 2.256 10 0 BEAEHN CC(C)Cn1nc(C(F)(F)F)cc1CN ZINC000409442799 350483531 /nfs/dbraw/zinc/48/35/31/350483531.db2.gz ARKDWQKMJJPPNG-UHFFFAOYSA-N 0 3 221.226 2.017 10 0 BEAEHN Cc1nn([C@H]2CCN(C(C)C)C2)c(N)c1Cl ZINC000045658304 180393545 /nfs/dbraw/zinc/39/35/45/180393545.db2.gz DRSHLQBATSGWMW-VIFPVBQESA-N 0 3 242.754 2.082 10 0 BEAEHN C[C@@H]1CCC[C@H](C)CN1Cc1cncnc1 ZINC000128189376 490571513 /nfs/dbraw/zinc/57/15/13/490571513.db2.gz APGWNHIOGYGCNL-NWDGAFQWSA-N 0 3 219.332 2.487 10 0 BEAEHN Cc1nn(CC(F)(F)F)c(C)c1CNC1CC1 ZINC000054717435 180386860 /nfs/dbraw/zinc/38/68/60/180386860.db2.gz LDDVLFYUYHINDN-UHFFFAOYSA-N 0 3 247.264 2.314 10 0 BEAEHN COCC[C@@H](C)N[C@H]1COc2ccccc21 ZINC000070068804 350497985 /nfs/dbraw/zinc/49/79/85/350497985.db2.gz SJWVCFQWSGPKMU-PWSUYJOCSA-N 0 3 221.300 2.135 10 0 BEAEHN CC(C)N1CCO[C@@H](c2ccccc2CO)CC1 ZINC000616593392 350580617 /nfs/dbraw/zinc/58/06/17/350580617.db2.gz JMSRDTRKDPCQNN-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)N1CCO[C@H](c2ccncc2)CC1 ZINC000616593793 350585147 /nfs/dbraw/zinc/58/51/47/350585147.db2.gz LMKQUHWJVUVPGJ-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CCN1CCO[C@@H](c2cccc(OC)c2)CC1 ZINC000616594917 350596287 /nfs/dbraw/zinc/59/62/87/350596287.db2.gz RWCVUADMGFVTSQ-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(=O)Nc1cccc([C@@H]2CCN(C)CCO2)c1 ZINC000616595829 350611667 /nfs/dbraw/zinc/61/16/67/350611667.db2.gz ZBJSMSFRWUVSPT-AWEZNQCLSA-N 0 3 248.326 2.038 10 0 BEAEHN CN1CCOC[C@@H](c2ccnc3ccccc32)C1 ZINC000616596834 350637567 /nfs/dbraw/zinc/63/75/67/350637567.db2.gz CLSBORMWYZEQHZ-LBPRGKRZSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)(C)N1CCCOC[C@H]1c1ccnc(N)c1 ZINC000616598334 350659789 /nfs/dbraw/zinc/65/97/89/350659789.db2.gz WTNIHZPSZJRVFF-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN CCN1CCCOC[C@@H]1c1cccc(OC)c1 ZINC000616598561 350676344 /nfs/dbraw/zinc/67/63/44/350676344.db2.gz DQAHPOKSGPWMQF-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ccno2)C1 ZINC000616598720 350688177 /nfs/dbraw/zinc/68/81/77/350688177.db2.gz PVVUXUJMASHSIU-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN CN1CCOC[C@@H](c2cccc3cnccc32)C1 ZINC000616598755 350688426 /nfs/dbraw/zinc/68/84/26/350688426.db2.gz QXULQTDVTNZZEP-ZDUSSCGKSA-N 0 3 242.322 2.280 10 0 BEAEHN CCN1CCN[C@H](c2cccc3cnccc32)C1 ZINC000616604635 350793620 /nfs/dbraw/zinc/79/36/20/350793620.db2.gz XWMBMCKUESUUEI-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCNC[C@H]1c1nccc2ccccc21 ZINC000616604648 350793635 /nfs/dbraw/zinc/79/36/35/350793635.db2.gz LYZCOFLMWUYPEP-AWEZNQCLSA-N 0 3 241.338 2.201 10 0 BEAEHN OCCN1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616607572 350800898 /nfs/dbraw/zinc/80/08/98/350800898.db2.gz JYBHJXUYAWIKSU-OAHLLOKOSA-N 0 3 242.322 2.364 10 0 BEAEHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C)CC1 ZINC000616611415 350809334 /nfs/dbraw/zinc/80/93/34/350809334.db2.gz QDKKCATUIZZXBF-LLVKDONJSA-N 0 3 242.363 2.338 10 0 BEAEHN CNc1ccccc1[C@H]1CCCCN1CCO ZINC000616614520 350834382 /nfs/dbraw/zinc/83/43/82/350834382.db2.gz TWYLZHYLURVWES-CQSZACIVSA-N 0 3 234.343 2.248 10 0 BEAEHN Cc1nc(N(C)C(C)(C)C)sc1CN ZINC000306681426 350838095 /nfs/dbraw/zinc/83/80/95/350838095.db2.gz OCAPBHDPEBNAEW-UHFFFAOYSA-N 0 3 213.350 2.145 10 0 BEAEHN CC(C)(C)N1CCCC[C@H]1c1nnc[nH]1 ZINC000616615101 350845623 /nfs/dbraw/zinc/84/56/23/350845623.db2.gz CHSRHAGGISJANB-VIFPVBQESA-N 0 3 208.309 2.130 10 0 BEAEHN COc1ccc([C@@H]2CCCCN2CCO)cc1 ZINC000616616814 350857734 /nfs/dbraw/zinc/85/77/34/350857734.db2.gz YIHWWUDOBOELJJ-AWEZNQCLSA-N 0 3 235.327 2.215 10 0 BEAEHN CSC1([C@@H]2NC[C@H](C)S2)CCC1 ZINC000306727417 350898735 /nfs/dbraw/zinc/89/87/35/350898735.db2.gz AUJWGUWYJXNTLI-JGVFFNPUSA-N 0 3 203.376 2.323 10 0 BEAEHN Cc1nc(C(F)(F)F)sc1[C@H](C)N ZINC000159599791 350920531 /nfs/dbraw/zinc/92/05/31/350920531.db2.gz UIJSKDGIAAOELF-VKHMYHEASA-N 0 3 210.224 2.490 10 0 BEAEHN CC(C)N1CCC(OC(F)(F)F)CC1 ZINC000616619339 350926731 /nfs/dbraw/zinc/92/67/31/350926731.db2.gz KGIZMJDRZLHUAQ-UHFFFAOYSA-N 0 3 211.227 2.396 10 0 BEAEHN CN[C@H](C)c1cnc(C(F)(F)F)s1 ZINC000159601196 350941901 /nfs/dbraw/zinc/94/19/01/350941901.db2.gz RYGDQGQDXNNPPQ-SCSAIBSYSA-N 0 3 210.224 2.442 10 0 BEAEHN Clc1cnc([C@@H]2NC[C@H]2C2CC2)s1 ZINC000306771410 351008026 /nfs/dbraw/zinc/00/80/26/351008026.db2.gz CITMCMMUKGQTGY-POYBYMJQSA-N 0 3 214.721 2.467 10 0 BEAEHN N[C@H](Cc1cncs1)c1cccs1 ZINC000159707922 350980898 /nfs/dbraw/zinc/98/08/98/350980898.db2.gz XQDBDJWFOBVVCQ-MRVPVSSYSA-N 0 3 210.327 2.447 10 0 BEAEHN Cc1nc(C)c(Br)c(C(C)(C)N)n1 ZINC000306761237 350985321 /nfs/dbraw/zinc/98/53/21/350985321.db2.gz ZCMYPSDWYJPDSE-UHFFFAOYSA-N 0 3 244.136 2.050 10 0 BEAEHN CN[C@H]1COc2c1cc(Br)cc2C ZINC000063061412 350949107 /nfs/dbraw/zinc/94/91/07/350949107.db2.gz ZHBQOSMOHNFGBM-VIFPVBQESA-N 0 3 242.116 2.410 10 0 BEAEHN CN(Cc1ccccc1)c1ccc(CN)nc1 ZINC000128992520 350955822 /nfs/dbraw/zinc/95/58/22/350955822.db2.gz XETIMZSHYNALTO-UHFFFAOYSA-N 0 3 227.311 2.177 10 0 BEAEHN CCN1CCN[C@@H](c2ccc3ccncc3c2)C1 ZINC000616631817 351108779 /nfs/dbraw/zinc/10/87/79/351108779.db2.gz FGUCAQNPZHQPDO-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@@H](c2nccc3ccccc32)C1 ZINC000616632715 351113869 /nfs/dbraw/zinc/11/38/69/351113869.db2.gz YFHAYLVZURWEME-CQSZACIVSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@H](c2ccc3ncccc3c2)C1 ZINC000616633053 351114459 /nfs/dbraw/zinc/11/44/59/351114459.db2.gz YQUXAZBYXPULHN-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)N1CCCCC[C@@H]1c1cnno1 ZINC000616623227 351088578 /nfs/dbraw/zinc/08/85/78/351088578.db2.gz MODAZMICICQJSL-SNVBAGLBSA-N 0 3 209.293 2.395 10 0 BEAEHN CCN1CCCCC[C@@H]1c1ccncn1 ZINC000616624326 351091840 /nfs/dbraw/zinc/09/18/40/351091840.db2.gz YFGKZAZTAQFJRW-GFCCVEGCSA-N 0 3 205.305 2.414 10 0 BEAEHN c1cc2cc([C@@H]3COCCCN3)ccc2cn1 ZINC000616646159 351170732 /nfs/dbraw/zinc/17/07/32/351170732.db2.gz FTXGCHVANOHWDF-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)N1CCCO[C@H](c2ccc(CO)cc2)C1 ZINC000616649418 351178856 /nfs/dbraw/zinc/17/88/56/351178856.db2.gz IZICKCZBZGSTAP-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)N1CCCO[C@H](c2ccncc2)C1 ZINC000616649436 351179295 /nfs/dbraw/zinc/17/92/95/351179295.db2.gz JNBPNLDSOYSKBT-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](Nc2ccccn2)C1 ZINC000616649843 351179641 /nfs/dbraw/zinc/17/96/41/351179641.db2.gz LGIULUWGTFOXBJ-ZDUSSCGKSA-N 0 3 249.358 2.340 10 0 BEAEHN CN1CCCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616651072 351181552 /nfs/dbraw/zinc/18/15/52/351181552.db2.gz LLXWLZCIPARIJF-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CCN1CCCO[C@@H](c2cccc(N)c2)C1 ZINC000616652026 351189666 /nfs/dbraw/zinc/18/96/66/351189666.db2.gz CMIOJNTVBKOPFE-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ncccn2)C1 ZINC000616651969 351189750 /nfs/dbraw/zinc/18/97/50/351189750.db2.gz CGIFAORRUAYHSV-LLVKDONJSA-N 0 3 235.331 2.039 10 0 BEAEHN CCN1CCCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616652104 351190165 /nfs/dbraw/zinc/19/01/65/351190165.db2.gz DBZQQSNXSWPZHI-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN C[C@@H]1CN=C(NCc2ccsc2)S1 ZINC000063154067 351263927 /nfs/dbraw/zinc/26/39/27/351263927.db2.gz VTCSNQUDGRJBIU-SSDOTTSWSA-N 0 3 212.343 2.329 10 0 BEAEHN CN1CCO[C@H](c2cccc(F)c2)CC1 ZINC000616684080 351255090 /nfs/dbraw/zinc/25/50/90/351255090.db2.gz BNICMKULJPMJMS-LBPRGKRZSA-N 0 3 209.264 2.219 10 0 BEAEHN c1cc2cc([C@@H]3CCOCCN3)ccc2cn1 ZINC000616661316 351209744 /nfs/dbraw/zinc/20/97/44/351209744.db2.gz ZXMFPAWSZOQTIP-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN c1cc2cc([C@H]3CCOCCN3)ccc2cn1 ZINC000616661182 351214040 /nfs/dbraw/zinc/21/40/40/351214040.db2.gz ZXMFPAWSZOQTIP-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2cccc(N)n2)CC1 ZINC000616665565 351223497 /nfs/dbraw/zinc/22/34/97/351223497.db2.gz MPFCWBYPOJMWBP-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2cccc(N)n2)CC1 ZINC000616666282 351225712 /nfs/dbraw/zinc/22/57/12/351225712.db2.gz MPFCWBYPOJMWBP-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2cccnn2)CC1 ZINC000616666316 351225787 /nfs/dbraw/zinc/22/57/87/351225787.db2.gz NYQZAOHZJXVGTB-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)C2CC2)n1 ZINC000122458035 363022436 /nfs/dbraw/zinc/02/24/36/363022436.db2.gz QYJDDAQSNYKWPT-VIFPVBQESA-N 0 3 220.316 2.231 10 0 BEAEHN C1CN[C@H]([C@@H]2CCCSC2)SC1 ZINC000306901742 351316503 /nfs/dbraw/zinc/31/65/03/351316503.db2.gz OSWCWOJSDJKULD-BDAKNGLRSA-N 0 3 203.376 2.182 10 0 BEAEHN Cc1cc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000631126900 351377860 /nfs/dbraw/zinc/37/78/60/351377860.db2.gz NCNSVACMGGRYLP-ZSBIGDGJSA-N 0 3 238.331 2.276 10 0 BEAEHN Cc1ccc(C)c([C@H](N)c2cnn(C)c2)c1 ZINC000034957622 351362949 /nfs/dbraw/zinc/36/29/49/351362949.db2.gz IHAVDYRFXHOQOX-CYBMUJFWSA-N 0 3 215.300 2.085 10 0 BEAEHN C[C@@H]1CC2(C[C@@H](C)O1)NC(C)(C)CS2 ZINC000133638904 351425520 /nfs/dbraw/zinc/42/55/20/351425520.db2.gz HVKVQKXTHSMSGQ-RKDXNWHRSA-N 0 3 215.362 2.385 10 0 BEAEHN CNC1(C(=O)c2ccoc2)CCCCC1 ZINC000307138599 351495416 /nfs/dbraw/zinc/49/54/16/351495416.db2.gz ZUCVCFCWVQOCIL-UHFFFAOYSA-N 0 3 207.273 2.385 10 0 BEAEHN O[C@]1(c2ccoc2)CCN(Cc2ccccc2)C1 ZINC000307160212 351511719 /nfs/dbraw/zinc/51/17/19/351511719.db2.gz JWLXBUHKPVVSHV-OAHLLOKOSA-N 0 3 243.306 2.373 10 0 BEAEHN N[C@H](C[C@H]1CCCCO1)c1ccsn1 ZINC000307160603 351512390 /nfs/dbraw/zinc/51/23/90/351512390.db2.gz DUCSAEFQTNZGOI-RKDXNWHRSA-N 0 3 212.318 2.102 10 0 BEAEHN Cc1cc(-c2ncc(CN)s2)sn1 ZINC000404473148 351472323 /nfs/dbraw/zinc/47/23/23/351472323.db2.gz NFRVWZMHRUZRDI-UHFFFAOYSA-N 0 3 211.315 2.034 10 0 BEAEHN NCc1c(F)ccc(F)c1OC(F)F ZINC000307088902 351472414 /nfs/dbraw/zinc/47/24/14/351472414.db2.gz UJRIDUXWONNKJO-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN C[C@H]1Oc2c(c(F)ccc2Cl)[C@H]1N ZINC000307100177 351479470 /nfs/dbraw/zinc/47/94/70/351479470.db2.gz GPVIRXNKQQVPFN-VHWMUFPASA-N 0 3 201.628 2.260 10 0 BEAEHN C[C@@H](CN(C)C)Nc1cc(Cl)nc(Cl)n1 ZINC000307102912 351479823 /nfs/dbraw/zinc/47/98/23/351479823.db2.gz ZZSPRKLSWWMYQR-LURJTMIESA-N 0 3 249.145 2.145 10 0 BEAEHN C[C@@]1([C@@H]2NCCCS2)CCCS1 ZINC000307167325 351536853 /nfs/dbraw/zinc/53/68/53/351536853.db2.gz RGHHWPOIJVGIBE-BDAKNGLRSA-N 0 3 203.376 2.325 10 0 BEAEHN CC(C)=C[C@H](N)c1cnn(C)c1Br ZINC000307222993 351649261 /nfs/dbraw/zinc/64/92/61/351649261.db2.gz JUENHHXHXDFHTH-QMMMGPOBSA-N 0 3 244.136 2.149 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000637917300 351792317 /nfs/dbraw/zinc/79/23/17/351792317.db2.gz INEZSNGVEHOVAN-CHWSQXEVSA-N 0 3 248.370 2.479 10 0 BEAEHN CC(C)N(C)c1cc(N)ncc1Br ZINC000307249647 351755511 /nfs/dbraw/zinc/75/55/11/351755511.db2.gz JXWQFCNMNMEXIJ-UHFFFAOYSA-N 0 3 244.136 2.271 10 0 BEAEHN N[C@@H](c1ccns1)[C@@H]1CCCCS1 ZINC000307275211 351832501 /nfs/dbraw/zinc/83/25/01/351832501.db2.gz PEFMLIXHEXTDCW-IONNQARKSA-N 0 3 214.359 2.429 10 0 BEAEHN N[C@H](c1ccns1)[C@@H]1CCCCS1 ZINC000307275210 351832605 /nfs/dbraw/zinc/83/26/05/351832605.db2.gz PEFMLIXHEXTDCW-CBAPKCEASA-N 0 3 214.359 2.429 10 0 BEAEHN Cc1sc(C2CSC2)nc1[C@@H](C)N ZINC000404707956 351860238 /nfs/dbraw/zinc/86/02/38/351860238.db2.gz BSSPENQOXXSRFZ-RXMQYKEDSA-N 0 3 214.359 2.302 10 0 BEAEHN Cn1ncc(Cl)c1[C@@H](N)CC1CCC1 ZINC000232184091 352082448 /nfs/dbraw/zinc/08/24/48/352082448.db2.gz OUXVELKBLCRBGS-VIFPVBQESA-N 0 3 213.712 2.264 10 0 BEAEHN F[C@@H](c1cscn1)[C@@H]1CCCCN1 ZINC000307347905 352102939 /nfs/dbraw/zinc/10/29/39/352102939.db2.gz NKPAKBBAZAXTPV-IONNQARKSA-N 0 3 200.282 2.296 10 0 BEAEHN C=Cn1cc(CN[C@H]2C[C@H]2CCC)cn1 ZINC000219389643 363134693 /nfs/dbraw/zinc/13/46/93/363134693.db2.gz KXRRXVYUCNLLHW-NEPJUHHUSA-N 0 3 205.305 2.262 10 0 BEAEHN CC(C)(C)C(=O)Nc1ccc2nc(CN)[nH]c2c1 ZINC000725271150 538103264 /nfs/dbraw/zinc/10/32/64/538103264.db2.gz IALZJRKUJWGEEV-UHFFFAOYSA-N 0 3 246.314 2.006 10 0 BEAEHN CNCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270944 538103136 /nfs/dbraw/zinc/10/31/36/538103136.db2.gz UXAPGQAQVCBPCQ-UHFFFAOYSA-N 0 3 224.613 2.473 10 0 BEAEHN Cn1ccnc1CN[C@@H]1CCC[C@H]1CCF ZINC000336688108 180748668 /nfs/dbraw/zinc/74/86/68/180748668.db2.gz JMTSPTDQRVWQKI-WDEREUQCSA-N 0 3 225.311 2.038 10 0 BEAEHN C[C@@H]1CNCCN1c1ccsc1Cl ZINC000307365172 352449939 /nfs/dbraw/zinc/44/99/39/352449939.db2.gz LSXBVDKIWAGKIS-SSDOTTSWSA-N 0 3 216.737 2.200 10 0 BEAEHN CCN(C(=O)OC(C)(C)C)[C@@H](C)CN(C)C ZINC000232268463 352590740 /nfs/dbraw/zinc/59/07/40/352590740.db2.gz CFSNFROKKAIAQQ-JTQLQIEISA-N 0 3 230.352 2.194 10 0 BEAEHN CC[C@@H]1CS[C@]2(CSC[C@@H]2C)N1 ZINC000307525929 352634959 /nfs/dbraw/zinc/63/49/59/352634959.db2.gz HEYJKZZDZKZWKA-YIZRAAEISA-N 0 3 203.376 2.181 10 0 BEAEHN CC(C)[C@@H](C)N1CCC(O)(C(F)(F)F)CC1 ZINC000318754944 538105707 /nfs/dbraw/zinc/10/57/07/538105707.db2.gz BIACXENVLYFGNV-SECBINFHSA-N 0 3 239.281 2.420 10 0 BEAEHN C[C@H](NCC[C@@H]1CCCO1)c1ccc(F)cn1 ZINC000092196197 538106502 /nfs/dbraw/zinc/10/65/02/538106502.db2.gz SJQZVPFSTICDIS-JQWIXIFHSA-N 0 3 238.306 2.440 10 0 BEAEHN CSC1([C@@H]2NC(C)(C)CS2)CC1 ZINC000306378267 353007929 /nfs/dbraw/zinc/00/79/29/353007929.db2.gz OQOCOPRYTDISCA-SSDOTTSWSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@@H]1Oc2c(cc(Cl)cc2F)[C@H]1N ZINC000307414503 353075354 /nfs/dbraw/zinc/07/53/54/353075354.db2.gz JZSVQOBLPJCAGD-NVNXEXLPSA-N 0 3 201.628 2.260 10 0 BEAEHN CCC(C)(C)CCNC(=O)[C@]1(C)CCCCN1 ZINC000638864873 353038731 /nfs/dbraw/zinc/03/87/31/353038731.db2.gz CRUCJHUANCVEPO-AWEZNQCLSA-N 0 3 240.391 2.461 10 0 BEAEHN CC(C)N1CCNC[C@H]1c1cccs1 ZINC000077304297 188048282 /nfs/dbraw/zinc/04/82/82/188048282.db2.gz GDVXSKWGSCBVHS-JTQLQIEISA-N 0 3 210.346 2.103 10 0 BEAEHN FC(F)(F)c1ccc(C[C@@H]2COCCN2)cc1 ZINC000071559591 180892091 /nfs/dbraw/zinc/89/20/91/180892091.db2.gz KTZJLUZNWTZOQG-LLVKDONJSA-N 0 3 245.244 2.236 10 0 BEAEHN CCC[C@H](N)C(=O)Nc1csc(C)c1 ZINC000638999991 353248416 /nfs/dbraw/zinc/24/84/16/353248416.db2.gz PCGJJBVMJPKHIZ-VIFPVBQESA-N 0 3 212.318 2.122 10 0 BEAEHN Cc1ccc(F)cc1CN1C[C@H](C)C[C@@H](O)C1 ZINC000401953192 353260646 /nfs/dbraw/zinc/26/06/46/353260646.db2.gz MNUDZLFGNGKVEY-QMTHXVAHSA-N 0 3 237.318 2.337 10 0 BEAEHN C[C@H]1CNC[C@H](c2ccc(F)cc2F)O1 ZINC000036673237 188278600 /nfs/dbraw/zinc/27/86/00/188278600.db2.gz DZZBMQZTFQSKLM-WRWORJQWSA-N 0 3 213.227 2.014 10 0 BEAEHN Cc1ccc([C@H](N)CN(C)C2CC2)cc1 ZINC000037080937 188280009 /nfs/dbraw/zinc/28/00/09/188280009.db2.gz WICWONPVFDFMCS-CYBMUJFWSA-N 0 3 204.317 2.089 10 0 BEAEHN Nc1ccc(SCCN2CCCCC2)cn1 ZINC000037192587 188287283 /nfs/dbraw/zinc/28/72/83/188287283.db2.gz YOXVBOXGKUVNKC-UHFFFAOYSA-N 0 3 237.372 2.242 10 0 BEAEHN CC(C)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000077334353 188290673 /nfs/dbraw/zinc/29/06/73/188290673.db2.gz MJDVKYSMXXRNOR-CYBMUJFWSA-N 0 3 222.307 2.180 10 0 BEAEHN C[C@@H](N)c1ccccc1OC1CCOCC1 ZINC000040993305 188292931 /nfs/dbraw/zinc/29/29/31/188292931.db2.gz WGFNZOYWVICGPD-SNVBAGLBSA-N 0 3 221.300 2.264 10 0 BEAEHN CCCCNCc1nn(C)nc1-c1ccccc1 ZINC000045944733 188297771 /nfs/dbraw/zinc/29/77/71/188297771.db2.gz IFNQPANMRKEVEG-UHFFFAOYSA-N 0 3 244.342 2.372 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccccn1 ZINC000252661890 353303723 /nfs/dbraw/zinc/30/37/23/353303723.db2.gz QUZNMLQGXXSRGV-ZFWWWQNUSA-N 0 3 245.370 2.140 10 0 BEAEHN Cc1cc(N(C)C[C@@H]2CCN(C)C2)ccc1C=O ZINC000071189481 188305458 /nfs/dbraw/zinc/30/54/58/188305458.db2.gz MPJKBQRONYDATI-CYBMUJFWSA-N 0 3 246.354 2.195 10 0 BEAEHN CC(C)C[C@@H](C)Oc1ncccc1CN ZINC000019392345 188350321 /nfs/dbraw/zinc/35/03/21/188350321.db2.gz NKOZFKMZEIQVAT-SNVBAGLBSA-N 0 3 208.305 2.354 10 0 BEAEHN C=Cn1c(CO)cc2c1[C@H](C)CN(C)[C@@H]2C ZINC000196224194 188354705 /nfs/dbraw/zinc/35/47/05/188354705.db2.gz VJWGFAWQJOZHCK-NXEZZACHSA-N 0 3 220.316 2.191 10 0 BEAEHN CC(=O)Nc1ccc2nc(C)cc(N)c2c1 ZINC000059367048 188359815 /nfs/dbraw/zinc/35/98/15/188359815.db2.gz YOWWSJIHWIVYCT-UHFFFAOYSA-N 0 3 215.256 2.084 10 0 BEAEHN Fc1ccccc1NCCN1CCCC1 ZINC000041217523 181013917 /nfs/dbraw/zinc/01/39/17/181013917.db2.gz AKGDCLOEWPHFFK-UHFFFAOYSA-N 0 3 208.280 2.333 10 0 BEAEHN Fc1ccccc1C[C@H]1CSCCN1 ZINC000071518270 181014129 /nfs/dbraw/zinc/01/41/29/181014129.db2.gz BHMVPZBCJYKVFA-JTQLQIEISA-N 0 3 211.305 2.073 10 0 BEAEHN Cn1ccnc1CNCC(C)(C)c1ccccc1 ZINC000037935065 358480797 /nfs/dbraw/zinc/48/07/97/358480797.db2.gz NCWIUYKONXQSNQ-UHFFFAOYSA-N 0 3 243.354 2.488 10 0 BEAEHN Cc1nc([C@H](C)N2CC3(CCC3)C[C@@H]2C)n[nH]1 ZINC000334645876 354435804 /nfs/dbraw/zinc/43/58/04/354435804.db2.gz PQMYGWOJJRBDTF-UWVGGRQHSA-N 0 3 234.347 2.439 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1ccoc1 ZINC000087289868 491067642 /nfs/dbraw/zinc/06/76/42/491067642.db2.gz ZOIJDNSPYHECRJ-DLOVCJGASA-N 0 3 209.289 2.234 10 0 BEAEHN CCN1CCC[C@@H](NCc2ccccc2OC)C1 ZINC000040502036 358492871 /nfs/dbraw/zinc/49/28/71/358492871.db2.gz KXHQRPZSIMGRFQ-CQSZACIVSA-N 0 3 248.370 2.269 10 0 BEAEHN CCN1CCC[C@@H](N[C@@H](C)c2ccccn2)C1 ZINC000040502182 358493339 /nfs/dbraw/zinc/49/33/39/358493339.db2.gz FKGLHLPHZGNEAS-QWHCGFSZSA-N 0 3 233.359 2.217 10 0 BEAEHN N=C(N)c1cc(Oc2ccc(F)cc2)ccn1 ZINC000061814465 181193508 /nfs/dbraw/zinc/19/35/08/181193508.db2.gz AEVGOTGCKWBDDC-UHFFFAOYSA-N 0 3 231.230 2.297 10 0 BEAEHN N=C(N)c1cccnc1Oc1cc(F)ccc1F ZINC000071167846 181196580 /nfs/dbraw/zinc/19/65/80/181196580.db2.gz YRKRSARFMFSKPD-UHFFFAOYSA-N 0 3 249.220 2.436 10 0 BEAEHN N=C(N)c1cccnc1Oc1ccc(F)cc1 ZINC000019475274 181196599 /nfs/dbraw/zinc/19/65/99/181196599.db2.gz KUUJBWUULGMFCS-UHFFFAOYSA-N 0 3 231.230 2.297 10 0 BEAEHN CC(C)(C)OC(=O)CCN1C[C@@H]2CCC[C@H]21 ZINC000350731497 355751753 /nfs/dbraw/zinc/75/17/53/355751753.db2.gz ATWLDDKCAMWLGD-WDEREUQCSA-N 0 3 225.332 2.203 10 0 BEAEHN O=C(Nc1cccc2c1CNCC2)c1ccco1 ZINC000167362481 355985598 /nfs/dbraw/zinc/98/55/98/355985598.db2.gz GLXVDHVYABIZAI-UHFFFAOYSA-N 0 3 242.278 2.178 10 0 BEAEHN CCN1CCC[C@@H](Nc2ccc(F)cn2)C1 ZINC000041045452 358505219 /nfs/dbraw/zinc/50/52/19/358505219.db2.gz LLSKDLFXCKWESJ-LLVKDONJSA-N 0 3 223.295 2.117 10 0 BEAEHN Cc1ccc(CNCC[C@@H]2CCCO2)nc1 ZINC000087782213 491091997 /nfs/dbraw/zinc/09/19/97/491091997.db2.gz ZFTCJFDWVATZRR-ZDUSSCGKSA-N 0 3 220.316 2.049 10 0 BEAEHN NC(=O)[C@H](NCc1ccccc1)C1CCCCC1 ZINC000037941241 181278629 /nfs/dbraw/zinc/27/86/29/181278629.db2.gz LYOYGAUOKMFPMF-CQSZACIVSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@H](CN1CC[C@@H](O)C(C)(C)C1)C(F)(F)F ZINC000336180662 134119592 /nfs/dbraw/zinc/11/95/92/134119592.db2.gz BLNOHFNAAQJUNS-RKDXNWHRSA-N 0 3 239.281 2.278 10 0 BEAEHN Nc1ccncc1-c1ccc(F)c(N)c1F ZINC000675056351 538478343 /nfs/dbraw/zinc/47/83/43/538478343.db2.gz IXZXWUKAKRHTAM-UHFFFAOYSA-N 0 3 221.210 2.022 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nnc(C(C)(C)C)[nH]1 ZINC000675061023 538486575 /nfs/dbraw/zinc/48/65/75/538486575.db2.gz WFHVNYOCBMJLJC-JGVFFNPUSA-N 0 3 210.325 2.148 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1n[nH]c(C(C)(C)C)n1 ZINC000675061023 538486577 /nfs/dbraw/zinc/48/65/77/538486577.db2.gz WFHVNYOCBMJLJC-JGVFFNPUSA-N 0 3 210.325 2.148 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1nnc([C@@H](C)CC)[nH]1 ZINC000675061371 538487008 /nfs/dbraw/zinc/48/70/08/538487008.db2.gz ZWRAZIVBBAEYLO-VGMNWLOBSA-N 0 3 210.325 2.364 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1n[nH]c([C@@H](C)CC)n1 ZINC000675061371 538487009 /nfs/dbraw/zinc/48/70/09/538487009.db2.gz ZWRAZIVBBAEYLO-VGMNWLOBSA-N 0 3 210.325 2.364 10 0 BEAEHN CCC[C@H]1NCCCn2cc(CC)nc21 ZINC000675068218 538495830 /nfs/dbraw/zinc/49/58/30/538495830.db2.gz NSKUQFLFLDQBPI-LLVKDONJSA-N 0 3 207.321 2.280 10 0 BEAEHN COc1nc2c(ccc(C)c2C)cc1CN ZINC000675070391 538501563 /nfs/dbraw/zinc/50/15/63/538501563.db2.gz WUGURSQJTGMKGQ-UHFFFAOYSA-N 0 3 216.284 2.319 10 0 BEAEHN COc1ncccc1[C@@H]1CCC[C@@H](C)N1 ZINC000675072298 538502552 /nfs/dbraw/zinc/50/25/52/538502552.db2.gz BFLOLNUPNRBJNJ-KOLCDFICSA-N 0 3 206.289 2.293 10 0 BEAEHN COc1nc2c(C)cc(F)cc2cc1CN ZINC000675069173 538498353 /nfs/dbraw/zinc/49/83/53/538498353.db2.gz CNNFWHBZRGBIDA-UHFFFAOYSA-N 0 3 220.247 2.150 10 0 BEAEHN CCCCC[C@]1(C)NCCc2nc[nH]c21 ZINC000220260511 538538669 /nfs/dbraw/zinc/53/86/69/538538669.db2.gz IQYSLNFVMJBWPZ-LBPRGKRZSA-N 0 3 207.321 2.351 10 0 BEAEHN C[C@H]1Oc2cc(Br)c(F)cc2[C@H]1N ZINC000137655993 357224586 /nfs/dbraw/zinc/22/45/86/357224586.db2.gz HWDIASYDIKRVTK-MOFOKWOHSA-N 0 3 246.079 2.369 10 0 BEAEHN CCC1(C)CCN([C@H]2CCNC[C@@H]2F)CC1 ZINC000685948676 538891240 /nfs/dbraw/zinc/89/12/40/538891240.db2.gz SVDTUHWELQOJEN-RYUDHWBXSA-N 0 3 228.355 2.199 10 0 BEAEHN CO[C@H](CN1CC[C@@H](O)C[C@H]1C)c1ccccc1 ZINC000639938674 357944198 /nfs/dbraw/zinc/94/41/98/357944198.db2.gz IEEBWXAZBQFYGO-BPLDGKMQSA-N 0 3 249.354 2.219 10 0 BEAEHN CC(C)NCC(=O)N[C@H]1CCCc2ccccc21 ZINC000037386091 358079255 /nfs/dbraw/zinc/07/92/55/358079255.db2.gz AJSXTLYCUNMRDA-AWEZNQCLSA-N 0 3 246.354 2.178 10 0 BEAEHN c1ccc(C2([C@@H]3CCCCN3)OCCCO2)cc1 ZINC000584643156 358327735 /nfs/dbraw/zinc/32/77/35/358327735.db2.gz XESVVSFCBZYBHF-AWEZNQCLSA-N 0 3 247.338 2.418 10 0 BEAEHN C=Cn1cc(CN[C@@H]2C[C@@H]2CCC)cn1 ZINC000219389426 134281150 /nfs/dbraw/zinc/28/11/50/134281150.db2.gz KXRRXVYUCNLLHW-NWDGAFQWSA-N 0 3 205.305 2.262 10 0 BEAEHN C[C@@H]1OCC2(CCN(Cc3ccccc3)CC2)O1 ZINC000196303497 358430891 /nfs/dbraw/zinc/43/08/91/358430891.db2.gz LFMHGYSOHGYRMA-CYBMUJFWSA-N 0 3 247.338 2.414 10 0 BEAEHN COC(=O)c1coc(CNC[C@@H](C)C(C)C)c1 ZINC000130788096 358644588 /nfs/dbraw/zinc/64/45/88/358644588.db2.gz YFAHBDIZLVCNSX-SNVBAGLBSA-N 0 3 239.315 2.448 10 0 BEAEHN COc1c(C)cc(CN(C)C[C@H](C)O)cc1C ZINC000130655991 358638143 /nfs/dbraw/zinc/63/81/43/358638143.db2.gz UODVTWMSQXDJFA-LBPRGKRZSA-N 0 3 237.343 2.125 10 0 BEAEHN CCn1nc(-c2ccccc2)c2c1CCNC2 ZINC000211549440 358721351 /nfs/dbraw/zinc/72/13/51/358721351.db2.gz SFHBGYBNKCLHKS-UHFFFAOYSA-N 0 3 227.311 2.216 10 0 BEAEHN CC[C@H](N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050394463 358726623 /nfs/dbraw/zinc/72/66/23/358726623.db2.gz WLEPUDXUIVQSMC-QWHCGFSZSA-N 0 3 232.327 2.006 10 0 BEAEHN COc1c(CNC[C@H](C)C(C)C)c(C)nn1C ZINC000134913836 358810835 /nfs/dbraw/zinc/81/08/35/358810835.db2.gz FDCUEQMBVGKPKU-JTQLQIEISA-N 0 3 239.363 2.119 10 0 BEAEHN C[C@@H](N[C@@H](C)c1nnc2ccccn21)[C@@H]1C[C@H]1C ZINC000321875609 259481033 /nfs/dbraw/zinc/48/10/33/259481033.db2.gz IFNOXDMKDIZDQD-WISYIIOYSA-N 0 3 244.342 2.424 10 0 BEAEHN C/C=C/C=C/C(=O)NCc1ccc2c(c1)CNC2 ZINC000134522887 358794359 /nfs/dbraw/zinc/79/43/59/358794359.db2.gz INHFBQDGEYXWIR-MQQKCMAXSA-N 0 3 242.322 2.038 10 0 BEAEHN CN(CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000058874478 358916523 /nfs/dbraw/zinc/91/65/23/358916523.db2.gz HPHYKZYMZLZPME-UHFFFAOYSA-N 0 3 226.364 2.166 10 0 BEAEHN Fc1ccccc1CN1CCCN(C2CC2)CC1 ZINC000061040704 358931321 /nfs/dbraw/zinc/93/13/21/358931321.db2.gz MYLWGEWLCPYFLK-UHFFFAOYSA-N 0 3 248.345 2.496 10 0 BEAEHN Cc1cc([C@H](N)[C@@H]2CCCS2)sn1 ZINC000306158837 358952564 /nfs/dbraw/zinc/95/25/64/358952564.db2.gz DNJCZBOLGBENPU-IONNQARKSA-N 0 3 214.359 2.347 10 0 BEAEHN C[C@@H]1C[C@@H]1NC1=N[C@@H]2CCC[C@H]2CS1 ZINC000300402777 358989856 /nfs/dbraw/zinc/98/98/56/358989856.db2.gz QYCBJCWDGADGTA-RGOKHQFPSA-N 0 3 210.346 2.256 10 0 BEAEHN C[C@]1([C@H](N)c2ccsn2)CCCS1 ZINC000306179922 358991529 /nfs/dbraw/zinc/99/15/29/358991529.db2.gz IYXJRSBOJJVFFN-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN Cn1c(N)ncc1-c1csc(Cl)c1 ZINC000306190052 359004580 /nfs/dbraw/zinc/00/45/80/359004580.db2.gz WFIDRFUYKPIHBW-UHFFFAOYSA-N 0 3 213.693 2.384 10 0 BEAEHN Cc1csc([C@H](C)N[C@H]2CCCC[C@H]2O)n1 ZINC000246598375 359149591 /nfs/dbraw/zinc/14/95/91/359149591.db2.gz CSDKHYZVCQLMGL-GARJFASQSA-N 0 3 240.372 2.406 10 0 BEAEHN C[C@H]1CC[C@@](N)(c2ncc(Cl)cn2)C1 ZINC000306212411 359307721 /nfs/dbraw/zinc/30/77/21/359307721.db2.gz VQTMFMTXAWTZBI-XVKPBYJWSA-N 0 3 211.696 2.104 10 0 BEAEHN C[C@H](N)[C@@](C)(F)c1ccc(F)c(F)c1 ZINC000306216068 359322433 /nfs/dbraw/zinc/32/24/33/359322433.db2.gz PCNKCOQDFRIFJO-QUBYGPBYSA-N 0 3 203.207 2.497 10 0 BEAEHN C[C@H]1C[C@H](C(=O)NCc2ccccc2)N[C@@H](C)C1 ZINC000306278156 359509569 /nfs/dbraw/zinc/50/95/69/359509569.db2.gz VZSUZZDPIAQGDJ-MBNYWOFBSA-N 0 3 246.354 2.079 10 0 BEAEHN C[C@@H]1CSC2(C[C@H]3CC[C@@H](C2)S3)N1 ZINC000403582012 359554701 /nfs/dbraw/zinc/55/47/01/359554701.db2.gz KTKGAVRWQJNNEL-HNJRMYHASA-N 0 3 215.387 2.466 10 0 BEAEHN C[C@@H]1CNC2(C[C@H]3CC[C@@H](C2)S3)S1 ZINC000403581281 359555513 /nfs/dbraw/zinc/55/55/13/359555513.db2.gz KKKGGXAIKPWCKD-HNJRMYHASA-N 0 3 215.387 2.466 10 0 BEAEHN C[C@H]1N=C(N[C@H]2CCSC2)SC[C@H]1C ZINC000231359812 359915364 /nfs/dbraw/zinc/91/53/64/359915364.db2.gz OAGCPNKXBCYSLR-HLTSFMKQSA-N 0 3 230.402 2.209 10 0 BEAEHN CCn1c(C)nnc1CNC1(CC)CCCC1 ZINC000451269757 202391062 /nfs/dbraw/zinc/39/10/62/202391062.db2.gz ACSBYCZPNRDGPK-UHFFFAOYSA-N 0 3 236.363 2.419 10 0 BEAEHN C[C@H](NCC1CCC(C)CC1)c1nncn1C ZINC000089575940 360027122 /nfs/dbraw/zinc/02/71/22/360027122.db2.gz JVSMQYWLBLXYBZ-CXQJBGSLSA-N 0 3 236.363 2.292 10 0 BEAEHN C[C@H](CC(F)F)Nc1cccc(N)n1 ZINC000306471560 360096891 /nfs/dbraw/zinc/09/68/91/360096891.db2.gz SBVKENMQQQBKQS-ZCFIWIBFSA-N 0 3 201.220 2.119 10 0 BEAEHN CC[C@@H](N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226986 360067456 /nfs/dbraw/zinc/06/74/56/360067456.db2.gz YLHPKPCNJKBTNI-VXGBXAGGSA-N 0 3 236.363 2.446 10 0 BEAEHN C[C@@H]1C[C@H](C)O[C@](C)(C(F)(F)F)CN1 ZINC000306469137 360083629 /nfs/dbraw/zinc/08/36/29/360083629.db2.gz OWCAKYPGMBGYDK-CSMHCCOUSA-N 0 3 211.227 2.094 10 0 BEAEHN CC1(NC2=NC[C@H](C3CCC3)S2)CC1 ZINC000306468918 360083855 /nfs/dbraw/zinc/08/38/55/360083855.db2.gz ONQXVTFEEVSHPI-SECBINFHSA-N 0 3 210.346 2.400 10 0 BEAEHN CC(C)C[C@@H]1CCN([C@H]2CCCC2=O)C1 ZINC000306478357 360125855 /nfs/dbraw/zinc/12/58/55/360125855.db2.gz CWSYROWYSFQCAM-RYUDHWBXSA-N 0 3 209.333 2.476 10 0 BEAEHN CC[C@@H](C)CN[C@@H]1CCCn2nc(C)nc21 ZINC000093080275 360215276 /nfs/dbraw/zinc/21/52/76/360215276.db2.gz FCNJNVZBNKFBFO-MWLCHTKSSA-N 0 3 222.336 2.057 10 0 BEAEHN CCO[C@@H]1C[C@@H](NC2COC2)C12CCCCC2 ZINC000094710078 360316284 /nfs/dbraw/zinc/31/62/84/360316284.db2.gz MQPRFZHQCYLRCW-CHWSQXEVSA-N 0 3 239.359 2.103 10 0 BEAEHN CN[C@@H](C)c1c[nH]c(-c2ccsc2)n1 ZINC000306540286 360405552 /nfs/dbraw/zinc/40/55/52/360405552.db2.gz ORONKCPLWFYXSI-ZETCQYMHSA-N 0 3 207.302 2.419 10 0 BEAEHN CC[C@]1([C@@H]2CCOC2)N[C@@H](C)CCS1 ZINC000306545435 360414284 /nfs/dbraw/zinc/41/42/84/360414284.db2.gz VXDIKEWZBNMVPI-AXFHLTTASA-N 0 3 215.362 2.244 10 0 BEAEHN NCc1ccc(OC(F)F)c(F)c1F ZINC000306590849 360510153 /nfs/dbraw/zinc/51/01/53/360510153.db2.gz YEGGKWMURYCIIW-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN CC[C@@H](OC)[C@@H]1NCCc2sccc21 ZINC000306592274 360510356 /nfs/dbraw/zinc/51/03/56/360510356.db2.gz ZLKNDBSXPACHHP-MWLCHTKSSA-N 0 3 211.330 2.360 10 0 BEAEHN CCN1C[C@@H](C)[C@H](Nc2ncccc2Cl)C1 ZINC000309483174 491149575 /nfs/dbraw/zinc/14/95/75/491149575.db2.gz UITQATLUZDSSCK-MWLCHTKSSA-N 0 3 239.750 2.487 10 0 BEAEHN CCc1csc(N[C@H]2CN(CC)C[C@@H]2C)n1 ZINC000309463591 491149701 /nfs/dbraw/zinc/14/97/01/491149701.db2.gz OQEOTKCTUINMJL-ONGXEEELSA-N 0 3 239.388 2.458 10 0 BEAEHN CC(C)c1ccc(CN[C@@H]2C[C@H]2CO)cc1 ZINC000309548421 491151071 /nfs/dbraw/zinc/15/10/71/491151071.db2.gz HLPQAMNNRGGVMA-UONOGXRCSA-N 0 3 219.328 2.280 10 0 BEAEHN CC(C)C[C@H](N)c1cc(Cl)cnc1N ZINC000069943510 361174092 /nfs/dbraw/zinc/17/40/92/361174092.db2.gz XYYHNNVXWTZYKB-VIFPVBQESA-N 0 3 213.712 2.363 10 0 BEAEHN NC1(C(=O)NCCC2CCCC2)CCCCC1 ZINC000037740080 181326467 /nfs/dbraw/zinc/32/64/67/181326467.db2.gz MCYTUYHFRTXQSA-UHFFFAOYSA-N 0 3 238.375 2.345 10 0 BEAEHN CCN1C[C@H](N[C@@H](C)c2cscn2)[C@@H](C)C1 ZINC000309894956 491157959 /nfs/dbraw/zinc/15/79/59/491157959.db2.gz FMUYRRQMOFLWDQ-DCAQKATOSA-N 0 3 239.388 2.134 10 0 BEAEHN N=C1N[C@H](c2cccnc2)Cc2ccsc21 ZINC000025979333 181339577 /nfs/dbraw/zinc/33/95/77/181339577.db2.gz DQFBGLAGAZYBJX-JTQLQIEISA-N 0 3 229.308 2.146 10 0 BEAEHN COC(C)(C)c1nc([C@H](C)N)c(C)s1 ZINC000306638983 361585393 /nfs/dbraw/zinc/58/53/93/361585393.db2.gz CMUSDWVUAONUGC-LURJTMIESA-N 0 3 214.334 2.353 10 0 BEAEHN Cc1ccsc1CNCc1cn[nH]c1 ZINC000038005660 361634484 /nfs/dbraw/zinc/63/44/84/361634484.db2.gz RXUBYOUYKGJWCX-UHFFFAOYSA-N 0 3 207.302 2.069 10 0 BEAEHN C[C@@H](NCC[C@@H]1CCCO1)c1nccs1 ZINC000083143098 491159990 /nfs/dbraw/zinc/15/99/90/491159990.db2.gz FXSIGGRXNUWKTK-ZJUUUORDSA-N 0 3 226.345 2.363 10 0 BEAEHN C[C@H]1Oc2c(ccc(Cl)c2F)[C@H]1N ZINC000130684817 364416407 /nfs/dbraw/zinc/41/64/07/364416407.db2.gz HLKMBBLZLVGROU-VHWMUFPASA-N 0 3 201.628 2.260 10 0 BEAEHN OC1CC(CNCc2cc(F)cc(Cl)c2)C1 ZINC000168264051 364892593 /nfs/dbraw/zinc/89/25/93/364892593.db2.gz NGSGIAPXQNAOKG-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN CC(C)(C)c1nc([C@@H](N)C(C)(C)C)n[nH]1 ZINC000675060542 541464025 /nfs/dbraw/zinc/46/40/25/541464025.db2.gz IFRBIZZBMGXKDK-SSDOTTSWSA-N 0 3 210.325 2.148 10 0 BEAEHN CC[C@@H](C)[C@@H](C)NCc1nnc(C2CC2)n1C ZINC000183061898 366972688 /nfs/dbraw/zinc/97/26/88/366972688.db2.gz SHYNYFMHLUBDKX-NXEZZACHSA-N 0 3 236.363 2.217 10 0 BEAEHN CCCNCc1nc(CN(C)CCC)cs1 ZINC000052444358 541514621 /nfs/dbraw/zinc/51/46/21/541514621.db2.gz UBMORVRMDBXBIB-UHFFFAOYSA-N 0 3 241.404 2.485 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1nnc2n1CCC2 ZINC000385496714 367835307 /nfs/dbraw/zinc/83/53/07/367835307.db2.gz RJWABMZXOBMROZ-NNYUYHANSA-N 0 3 246.358 2.064 10 0 BEAEHN C[C@@H]([C@@H]1COc2ccccc2O1)N1CCCC1 ZINC000001843855 368708770 /nfs/dbraw/zinc/70/87/70/368708770.db2.gz KAXULGXUSBBIMN-FZMZJTMJSA-N 0 3 233.311 2.311 10 0 BEAEHN CCCOc1ccc2c(c1)C(=O)C(C)O2 ZINC000105738268 369065036 /nfs/dbraw/zinc/06/50/36/369065036.db2.gz CDMNSBJQQFDTPZ-MRVPVSSYSA-N 0 3 206.241 2.439 10 0 BEAEHN NC[C@H]1OCCc2c(Br)scc21 ZINC000090397766 181468311 /nfs/dbraw/zinc/46/83/11/181468311.db2.gz JPULNNSJRQZWLJ-SSDOTTSWSA-N 0 3 248.145 2.083 10 0 BEAEHN Cc1ccc2c(c1)[C@@H](NCc1cn[nH]c1)CC2 ZINC000113310480 370399870 /nfs/dbraw/zinc/39/98/70/370399870.db2.gz DFLIKIRUNZUTFD-AWEZNQCLSA-N 0 3 227.311 2.495 10 0 BEAEHN CCC[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000389961603 371183452 /nfs/dbraw/zinc/18/34/52/371183452.db2.gz WAZLYDKAASZLKO-PWSUYJOCSA-N 0 3 207.321 2.468 10 0 BEAEHN N[C@H](c1ccc2c(c1)OCCCO2)[C@@H]1CCCO1 ZINC000019968000 181632439 /nfs/dbraw/zinc/63/24/39/181632439.db2.gz NYEHCZYXESFXLK-GXTWGEPZSA-N 0 3 249.310 2.027 10 0 BEAEHN CCOC(=O)C[C@H](N)c1c(C)cccc1C ZINC000126526080 371531649 /nfs/dbraw/zinc/53/16/49/371531649.db2.gz DAFSIGBANZHXSM-NSHDSACASA-N 0 3 221.300 2.256 10 0 BEAEHN C[C@@H]1Oc2c(c(Br)ccc2F)[C@@H]1N ZINC000126648220 371540978 /nfs/dbraw/zinc/54/09/78/371540978.db2.gz QJQBPIKIGUJIRZ-RNHFCUEFSA-N 0 3 246.079 2.369 10 0 BEAEHN Cc1ccoc1CNCC[C@@H]1CCCO1 ZINC000126655204 371542812 /nfs/dbraw/zinc/54/28/12/371542812.db2.gz AXNPVDXNMSLQPC-NSHDSACASA-N 0 3 209.289 2.247 10 0 BEAEHN Cc1c(Br)ccc2c1CCNC2 ZINC000216201454 371717688 /nfs/dbraw/zinc/71/76/88/371717688.db2.gz PXKOTIPOXNSLKM-UHFFFAOYSA-N 0 3 226.117 2.403 10 0 BEAEHN NC1(C(=O)Cc2cccc(Cl)c2)CCC1 ZINC000226779777 371743113 /nfs/dbraw/zinc/74/31/13/371743113.db2.gz XKRCODVKCAFJFY-UHFFFAOYSA-N 0 3 223.703 2.333 10 0 BEAEHN O=C1CCC[C@@H]1[C@@H]1CCCCN1CCF ZINC000227321526 371832930 /nfs/dbraw/zinc/83/29/30/371832930.db2.gz KFPPBSBDMVQADF-MNOVXSKESA-N 0 3 213.296 2.180 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000627727947 371916635 /nfs/dbraw/zinc/91/66/35/371916635.db2.gz WSFOLERYKYPYNH-NEPJUHHUSA-N 0 3 248.370 2.424 10 0 BEAEHN CCc1nc(-c2cscn2)sc1CN ZINC000163338808 371976453 /nfs/dbraw/zinc/97/64/53/371976453.db2.gz HHWZQNZPTFZUTF-UHFFFAOYSA-N 0 3 225.342 2.288 10 0 BEAEHN C[C@H]1C[C@@]1(N)c1ncccc1Br ZINC000133346743 372028294 /nfs/dbraw/zinc/02/82/94/372028294.db2.gz DBOVGACUNPMBNY-RCOVLWMOSA-N 0 3 227.105 2.038 10 0 BEAEHN N[C@H](c1cscn1)[C@@H]1CCCS1 ZINC000306279257 372006427 /nfs/dbraw/zinc/00/64/27/372006427.db2.gz RSYYLUQEFBDRGP-JGVFFNPUSA-N 0 3 200.332 2.039 10 0 BEAEHN N[C@H](c1cscn1)[C@H]1CCCS1 ZINC000306279256 372006441 /nfs/dbraw/zinc/00/64/41/372006441.db2.gz RSYYLUQEFBDRGP-HTQZYQBOSA-N 0 3 200.332 2.039 10 0 BEAEHN N[C@H](c1nscc1Br)C1CC1 ZINC000404804736 372117437 /nfs/dbraw/zinc/11/74/37/372117437.db2.gz MOZFGMFTWZLUNC-LURJTMIESA-N 0 3 233.134 2.315 10 0 BEAEHN N[C@@H](c1cnsc1)[C@@H]1CCCS1 ZINC000405010337 372129746 /nfs/dbraw/zinc/12/97/46/372129746.db2.gz OEYKLQBCWHFRRW-YUMQZZPRSA-N 0 3 200.332 2.039 10 0 BEAEHN CCN1CCC[C@@H](Nc2nccs2)C1 ZINC000040503248 373364601 /nfs/dbraw/zinc/36/46/01/373364601.db2.gz XHQFQXQOGQGGRK-SECBINFHSA-N 0 3 211.334 2.039 10 0 BEAEHN CCOc1ccccc1CN[C@@H]1CCCN(C)C1 ZINC000040671690 373588560 /nfs/dbraw/zinc/58/85/60/373588560.db2.gz XIVDXBMBBYYPIV-CQSZACIVSA-N 0 3 248.370 2.269 10 0 BEAEHN CNCc1ccc(OC)cc1Br ZINC000069803543 373822188 /nfs/dbraw/zinc/82/21/88/373822188.db2.gz NFELYKFGGNPFET-UHFFFAOYSA-N 0 3 230.105 2.177 10 0 BEAEHN C[C@@H](N)c1csc(N2CC[C@@H](C)C2)n1 ZINC000070845778 374204460 /nfs/dbraw/zinc/20/44/60/374204460.db2.gz BGXWEWPXKDWAIS-HTQZYQBOSA-N 0 3 211.334 2.009 10 0 BEAEHN c1cncc(O[C@H]2CCN(C3CCC3)C2)c1 ZINC000178999206 134313967 /nfs/dbraw/zinc/31/39/67/134313967.db2.gz TXAGYMDFWAWOHX-ZDUSSCGKSA-N 0 3 218.300 2.087 10 0 BEAEHN OCC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000107980858 183095353 /nfs/dbraw/zinc/09/53/53/183095353.db2.gz YQUPUBCLSHWYSO-LBPRGKRZSA-N 0 3 223.291 2.030 10 0 BEAEHN CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819604 169006175 /nfs/dbraw/zinc/00/61/75/169006175.db2.gz ODUOLRFETOJUTM-AAEUAGOBSA-N 0 3 249.358 2.196 10 0 BEAEHN CCCC[C@H](N)C(=O)Nc1c(F)cccc1F ZINC000037619376 169007661 /nfs/dbraw/zinc/00/76/61/169007661.db2.gz DVWBFJVGFDGOHV-JTQLQIEISA-N 0 3 242.269 2.421 10 0 BEAEHN CCCCc1ccc([C@H](CO)NC)cc1 ZINC000071510675 169022884 /nfs/dbraw/zinc/02/28/84/169022884.db2.gz ZHTTUKMTIPQXMG-ZDUSSCGKSA-N 0 3 207.317 2.282 10 0 BEAEHN CCCCc1nc(Cl)c(CNC)[nH]1 ZINC000083343707 169025358 /nfs/dbraw/zinc/02/53/58/169025358.db2.gz BZQHCOUWZLZILI-UHFFFAOYSA-N 0 3 201.701 2.125 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000037509515 183196905 /nfs/dbraw/zinc/19/69/05/183196905.db2.gz WIWJGYIWKYXNMS-DTWKUNHWSA-N 0 3 229.707 2.326 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2ccccc2F)C1 ZINC000037166281 183196983 /nfs/dbraw/zinc/19/69/83/183196983.db2.gz WWSINUJDIZDUNF-NWDGAFQWSA-N 0 3 223.291 2.219 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1N1CCc2cccc(F)c2C1 ZINC000270984955 183188796 /nfs/dbraw/zinc/18/87/96/183188796.db2.gz AJBLDZCLBXEJJM-LSDHHAIUSA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1c(F)cccc1F ZINC000089160654 183195156 /nfs/dbraw/zinc/19/51/56/183195156.db2.gz BWMGWHIKGXYFSS-NOZJJQNGSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@@]12CCCC[C@H]1CN(Cc1ccncc1)CC2 ZINC000019405215 183218037 /nfs/dbraw/zinc/21/80/37/183218037.db2.gz DFQPELNVIXKUCR-LSDHHAIUSA-N 0 3 246.354 2.209 10 0 BEAEHN O[C@H]1CCCC[C@@H]1N1CCc2cc(F)ccc2C1 ZINC000091893219 183231573 /nfs/dbraw/zinc/23/15/73/183231573.db2.gz JXISTLHYOWWFOK-GJZGRUSLSA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H]1CCC[C@H]1NCc1sccc1Cl ZINC000193116909 183237978 /nfs/dbraw/zinc/23/79/78/183237978.db2.gz YTRPCQMKXCYECN-BDAKNGLRSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@H]1CCN[C@@H](c2ccccc2Cl)C1 ZINC000041225880 183241413 /nfs/dbraw/zinc/24/14/13/183241413.db2.gz JPIKAVDNAZTEIW-GZMMTYOYSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@]1(c2cc3ccccc3o2)CN2CCC1CC2 ZINC000013740302 183252138 /nfs/dbraw/zinc/25/21/38/183252138.db2.gz POFHOXXJFNDMNR-OAHLLOKOSA-N 0 3 243.306 2.346 10 0 BEAEHN [O-]c1c(Br)cccc1[C@@H]1CC[NH2+]C1 ZINC000096877772 183253168 /nfs/dbraw/zinc/25/31/68/183253168.db2.gz YJHHORVVKPTXMJ-SSDOTTSWSA-N 0 3 242.116 2.232 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC000051996185 183234350 /nfs/dbraw/zinc/23/43/50/183234350.db2.gz WJIGUVDAMRCUKG-OLZOCXBDSA-N 0 3 241.281 2.358 10 0 BEAEHN CCCN(CCC)c1c(CNC)c(C)nn1C ZINC000034823504 169152366 /nfs/dbraw/zinc/15/23/66/169152366.db2.gz REEUXMLURZOXLD-UHFFFAOYSA-N 0 3 238.379 2.074 10 0 BEAEHN CCCN(CC)Cc1cc(CNC(C)C)no1 ZINC000052448328 169130226 /nfs/dbraw/zinc/13/02/26/169130226.db2.gz QEXNFFUXQGZYRC-UHFFFAOYSA-N 0 3 239.363 2.405 10 0 BEAEHN CCCN(CCC(=O)C(C)(C)C)CCN(C)C ZINC000054026652 169138597 /nfs/dbraw/zinc/13/85/97/169138597.db2.gz VYCFVTRZZQFINE-UHFFFAOYSA-N 0 3 242.407 2.265 10 0 BEAEHN Oc1ccc2c(c1)CCN[C@H]2c1ccncc1 ZINC000033914242 183279998 /nfs/dbraw/zinc/27/99/98/183279998.db2.gz BUDRBFIGEXCTEJ-AWEZNQCLSA-N 0 3 226.279 2.022 10 0 BEAEHN Oc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 ZINC000006091208 183256912 /nfs/dbraw/zinc/25/69/12/183256912.db2.gz NTWBRPXHGAXREI-UHFFFAOYSA-N 0 3 246.097 2.070 10 0 world BEAEHN c1c([C@@H]2CCCCN2)nc2n1CCCC2 ZINC000082931200 183321309 /nfs/dbraw/zinc/32/13/09/183321309.db2.gz ZBMDMBRTQUAAIA-JTQLQIEISA-N 0 3 205.305 2.034 10 0 BEAEHN CCCN1CCC[C@H](c2csc(N)n2)C1 ZINC000026937349 169198907 /nfs/dbraw/zinc/19/89/07/169198907.db2.gz GOVJAWLZFVFXRD-VIFPVBQESA-N 0 3 225.361 2.315 10 0 BEAEHN c1cc(NCCN2CCCCC2)nc(C2CC2)n1 ZINC000110206998 183357116 /nfs/dbraw/zinc/35/71/16/183357116.db2.gz ZNHUALOOZRZPJW-UHFFFAOYSA-N 0 3 246.358 2.252 10 0 BEAEHN c1cc(NCc2ccc3c(c2)OCO3)ccn1 ZINC000061674968 183357524 /nfs/dbraw/zinc/35/75/24/183357524.db2.gz XWLPOUPEUVAEKU-UHFFFAOYSA-N 0 3 228.251 2.422 10 0 BEAEHN CCCNCC(=O)c1ccc(C)cc1C ZINC000041612565 169255189 /nfs/dbraw/zinc/25/51/89/169255189.db2.gz OUKRXCKWRPHFFP-UHFFFAOYSA-N 0 3 205.301 2.486 10 0 BEAEHN CCCNCC(=O)c1ccc(OCC)cc1 ZINC000041613121 169255225 /nfs/dbraw/zinc/25/52/25/169255225.db2.gz PZVVFWAPYPFSPT-UHFFFAOYSA-N 0 3 221.300 2.268 10 0 BEAEHN CCCNCC(=O)c1ccc(C)c(C)c1 ZINC000041611710 169256096 /nfs/dbraw/zinc/25/60/96/169256096.db2.gz XTYKSESABVEPKW-UHFFFAOYSA-N 0 3 205.301 2.486 10 0 BEAEHN c1nnc([C@H]2CCCCCN2)n1-c1ccccc1 ZINC000075868860 183385973 /nfs/dbraw/zinc/38/59/73/183385973.db2.gz LRSQGKGJPLWJQB-CYBMUJFWSA-N 0 3 242.326 2.472 10 0 BEAEHN c1cc2c3c(c1)CNCCN3[C@H]1CCC[C@@H]21 ZINC000034279011 183373790 /nfs/dbraw/zinc/37/37/90/183373790.db2.gz XOSKJKGKWRIMGV-AAEUAGOBSA-N 0 3 214.312 2.246 10 0 BEAEHN c1ccc(-c2nccc(CNC3CC3)n2)cc1 ZINC000045206107 183383587 /nfs/dbraw/zinc/38/35/87/183383587.db2.gz QACIEPADRVPRNB-UHFFFAOYSA-N 0 3 225.295 2.396 10 0 BEAEHN CCCN[C@H](C)c1nnc2n1CCCCC2 ZINC000035229497 169288385 /nfs/dbraw/zinc/28/83/85/169288385.db2.gz WUWQKBDQRGLKSY-SNVBAGLBSA-N 0 3 222.336 2.065 10 0 BEAEHN c1n[nH]cc1CNC1CC(c2ccccc2)C1 ZINC000038006182 183390316 /nfs/dbraw/zinc/39/03/16/183390316.db2.gz SEABYFXTZIZMPP-UHFFFAOYSA-N 0 3 227.311 2.446 10 0 BEAEHN CCCNCc1cc(CN(CC)C(C)C)on1 ZINC000052446779 169265882 /nfs/dbraw/zinc/26/58/82/169265882.db2.gz SMGDKDPBXVTKSL-UHFFFAOYSA-N 0 3 239.363 2.405 10 0 BEAEHN CCCN[C@@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647791 169282756 /nfs/dbraw/zinc/28/27/56/169282756.db2.gz OCNQIJHNAVFKEL-CYBMUJFWSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCN[C@@H]1CC[S@](=O)c2ccccc21 ZINC000040973507 169283053 /nfs/dbraw/zinc/28/30/53/169283053.db2.gz FUJXAHPZLLBWPB-IAQYHMDHSA-N 0 3 223.341 2.239 10 0 BEAEHN CCCN[C@@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974191 169283465 /nfs/dbraw/zinc/28/34/65/169283465.db2.gz MCFCTBBRHDFZAV-BZNIZROVSA-N 0 3 241.331 2.378 10 0 BEAEHN CCCOCCOCc1cc(CNC)oc1C ZINC000104239400 169309513 /nfs/dbraw/zinc/30/95/13/169309513.db2.gz XZJRGSJGBAIELQ-UHFFFAOYSA-N 0 3 241.331 2.251 10 0 BEAEHN CCCOc1cc2c(cc1CNC1CC1)OCO2 ZINC000042874946 169315660 /nfs/dbraw/zinc/31/56/60/169315660.db2.gz UKDLFUGRGPTOMW-UHFFFAOYSA-N 0 3 249.310 2.456 10 0 BEAEHN CCCN[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000049647928 169291746 /nfs/dbraw/zinc/29/17/46/169291746.db2.gz FBYWWCJJRJIUEJ-ZDUSSCGKSA-N 0 3 232.327 2.100 10 0 BEAEHN CCCN[C@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647118 169292136 /nfs/dbraw/zinc/29/21/36/169292136.db2.gz JNVIRDPFCMSFQY-ZDUSSCGKSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCN[C@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976245 169292683 /nfs/dbraw/zinc/29/26/83/169292683.db2.gz KXBWDHBFPYXWCO-MEDUHNTESA-N 0 3 241.331 2.378 10 0 BEAEHN CCCN[C@H]1CC[S@](=O)c2ccccc21 ZINC000040973509 169292790 /nfs/dbraw/zinc/29/27/90/169292790.db2.gz FUJXAHPZLLBWPB-XHDPSFHLSA-N 0 3 223.341 2.239 10 0 BEAEHN CCCN[C@]1(CO)CCSc2ccccc21 ZINC000038123242 169293708 /nfs/dbraw/zinc/29/37/08/169293708.db2.gz SGEWKCFUBUTVEW-ZDUSSCGKSA-N 0 3 237.368 2.370 10 0 BEAEHN CCCOc1ccc(Cl)cc1CNCCO ZINC000020928732 169319523 /nfs/dbraw/zinc/31/95/23/169319523.db2.gz ZRUASAUWNKNBMY-UHFFFAOYSA-N 0 3 243.734 2.211 10 0 BEAEHN CCCOc1ccc2c(c1)[C@H](N)CCO2 ZINC000036928639 169323495 /nfs/dbraw/zinc/32/34/95/169323495.db2.gz NKUKACWZOFLRRH-LLVKDONJSA-N 0 3 207.273 2.258 10 0 BEAEHN CCC[C@@H](C)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195450848 169354837 /nfs/dbraw/zinc/35/48/37/169354837.db2.gz YFUVQONUIWLISS-CHWSQXEVSA-N 0 3 238.375 2.119 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000036873399 169388605 /nfs/dbraw/zinc/38/86/05/169388605.db2.gz IWHWDAWGDFMCJC-ZIAGYGMSSA-N 0 3 246.354 2.478 10 0 BEAEHN CCC[C@@H](N)c1nc(C(F)(F)F)c[nH]1 ZINC000036873745 169393895 /nfs/dbraw/zinc/39/38/95/169393895.db2.gz HKQQODNRNQKHEI-RXMQYKEDSA-N 0 3 207.199 2.228 10 0 BEAEHN c1nc([C@H]2CCCCN2C2CCCC2)n[nH]1 ZINC000182699006 134346941 /nfs/dbraw/zinc/34/69/41/134346941.db2.gz BXBIMPWQTIXRKE-LLVKDONJSA-N 0 3 220.320 2.274 10 0 BEAEHN c1nnc([C@H]2CCCCN2C2CCCC2)[nH]1 ZINC000182699006 134346942 /nfs/dbraw/zinc/34/69/42/134346942.db2.gz BXBIMPWQTIXRKE-LLVKDONJSA-N 0 3 220.320 2.274 10 0 BEAEHN C[C@H](N)c1c(F)c(F)c(F)c(F)c1F ZINC000066352289 383861870 /nfs/dbraw/zinc/86/18/70/383861870.db2.gz KICTUMAYHYGFGK-REOHCLBHSA-N 0 3 211.133 2.402 10 0 BEAEHN c1ncn([C@H]2CCCN([C@H]3C=CCCC3)C2)n1 ZINC000066539524 383869281 /nfs/dbraw/zinc/86/92/81/383869281.db2.gz SQOSOKJVZSZJFB-STQMWFEESA-N 0 3 232.331 2.024 10 0 BEAEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)NC1CC1 ZINC000035138580 383833928 /nfs/dbraw/zinc/83/39/28/383833928.db2.gz VPZZWQRHJIPXLS-IUCAKERBSA-N 0 3 238.356 2.066 10 0 BEAEHN N[C@@H](COC(F)(F)F)c1cccc(F)c1 ZINC000068576546 383999122 /nfs/dbraw/zinc/99/91/22/383999122.db2.gz NVOWTQXNDDDMJM-QMMMGPOBSA-N 0 3 223.169 2.362 10 0 BEAEHN CN(C)C[C@H](O)c1cccc2ccccc21 ZINC000002014909 383942826 /nfs/dbraw/zinc/94/28/26/383942826.db2.gz CYGCSVLDTXQNDW-AWEZNQCLSA-N 0 3 215.296 2.435 10 0 BEAEHN Cc1ccc([C@@H](C)NCC(=O)N(C)C)cc1C ZINC000037225328 383961826 /nfs/dbraw/zinc/96/18/26/383961826.db2.gz YFTXAUKSBUXFBM-GFCCVEGCSA-N 0 3 234.343 2.042 10 0 BEAEHN C[C@@H]1NCCO[C@@H]1c1ccc(Cl)cc1 ZINC000003604762 384021435 /nfs/dbraw/zinc/02/14/35/384021435.db2.gz LKRMGIFWZXHLGL-KWQFWETISA-N 0 3 211.692 2.389 10 0 BEAEHN CC(C)n1ncc2cc(CNC3CC3)cnc21 ZINC000070166106 384083051 /nfs/dbraw/zinc/08/30/51/384083051.db2.gz NADOHWPIGNPYNF-UHFFFAOYSA-N 0 3 230.315 2.264 10 0 BEAEHN CN(C)C[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000090994269 384090468 /nfs/dbraw/zinc/09/04/68/384090468.db2.gz ASBUVUIGFNIVLE-HNNXBMFYSA-N 0 3 243.354 2.407 10 0 BEAEHN CCCCNc1nc2c(s1)CN[C@@H](C)C2 ZINC000039110851 384105445 /nfs/dbraw/zinc/10/54/45/384105445.db2.gz KBCHOHCOSQDERH-QMMMGPOBSA-N 0 3 225.361 2.389 10 0 BEAEHN CNCc1cccc(NC(=O)C2CC(C)C2)c1 ZINC000560483735 384163440 /nfs/dbraw/zinc/16/34/40/384163440.db2.gz JEPQYMAJDQAOKK-UHFFFAOYSA-N 0 3 232.327 2.391 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccnn1C ZINC000278822557 384222894 /nfs/dbraw/zinc/22/28/94/384222894.db2.gz SNXPXHDBJZAWSI-MXWKQRLJSA-N 0 3 207.321 2.259 10 0 BEAEHN CC(C)[C@@H](NCCO)c1ccc(F)c(F)c1 ZINC000132397665 384228366 /nfs/dbraw/zinc/22/83/66/384228366.db2.gz VFCOCBMNRGEVOE-GFCCVEGCSA-N 0 3 229.270 2.244 10 0 BEAEHN CCC[C@@H](C(=O)N1CCC[C@H](C)CC1)N(C)C ZINC000179700006 384335070 /nfs/dbraw/zinc/33/50/70/384335070.db2.gz GSQHHVOVLJWHCE-STQMWFEESA-N 0 3 240.391 2.365 10 0 BEAEHN N[C@H]1COc2ccc(C(F)(F)F)cc21 ZINC000075882316 384345157 /nfs/dbraw/zinc/34/51/57/384345157.db2.gz IWDYFMAZOKVBNW-ZETCQYMHSA-N 0 3 203.163 2.098 10 0 BEAEHN COc1c(CN(C)C2CCCC2)c(C)nn1C ZINC000179798326 384358923 /nfs/dbraw/zinc/35/89/23/384358923.db2.gz QMWCEPPLGCQUEE-UHFFFAOYSA-N 0 3 237.347 2.112 10 0 BEAEHN NCc1ccncc1NC1CCCCC1 ZINC000013608497 384366030 /nfs/dbraw/zinc/36/60/30/384366030.db2.gz WUMRWBDWOMSRCA-UHFFFAOYSA-N 0 3 205.305 2.285 10 0 BEAEHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1ccccc1F ZINC000134123497 384334295 /nfs/dbraw/zinc/33/42/95/384334295.db2.gz OLEZZXWKRHSMOL-DCAQKATOSA-N 0 3 225.307 2.493 10 0 BEAEHN CC1(C)C[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000309101445 384422718 /nfs/dbraw/zinc/42/27/18/384422718.db2.gz FYDCFJDUBXQLGD-GXSJLCMTSA-N 0 3 205.305 2.175 10 0 BEAEHN CCC1(CC)CNCCN1C(=O)OC(C)(C)C ZINC000095642300 384385905 /nfs/dbraw/zinc/38/59/05/384385905.db2.gz WMOTWNLFWJSBHZ-UHFFFAOYSA-N 0 3 242.363 2.386 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc2c(c1)CCO2 ZINC000135311136 384434567 /nfs/dbraw/zinc/43/45/67/384434567.db2.gz GFYXLULFPXGNAZ-COPLHBTASA-N 0 3 247.338 2.450 10 0 BEAEHN C[C@@H](NC(=O)[C@@H](C)N1CCCC1)c1ccccc1 ZINC000048419028 384488825 /nfs/dbraw/zinc/48/88/25/384488825.db2.gz NSYHBMRVQMRYRE-CHWSQXEVSA-N 0 3 246.354 2.348 10 0 BEAEHN C[C@@H](N)c1csc([C@H]2CCSC2)n1 ZINC000258273219 384551374 /nfs/dbraw/zinc/55/13/74/384551374.db2.gz YAHIJISSFQQXMM-RQJHMYQMSA-N 0 3 214.359 2.383 10 0 BEAEHN C[C@H]1C[C@@H](O)CN(Cc2cccc(F)c2)C1 ZINC000334745998 384559214 /nfs/dbraw/zinc/55/92/14/384559214.db2.gz MQRFFHIJIGLGHS-GXFFZTMASA-N 0 3 223.291 2.028 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000052395902 384539887 /nfs/dbraw/zinc/53/98/87/384539887.db2.gz XGXCTSNPTUBJFV-NXEZZACHSA-N 0 3 238.356 2.020 10 0 BEAEHN O=C(CCCN1CCC[C@@H](O)C1)c1ccccc1 ZINC000049773420 384565315 /nfs/dbraw/zinc/56/53/15/384565315.db2.gz LTOFTYZTPKPFAV-CQSZACIVSA-N 0 3 247.338 2.106 10 0 BEAEHN Cc1ccc(CCN2CCN(C3CC3)CC2)cc1 ZINC000124110699 384614992 /nfs/dbraw/zinc/61/49/92/384614992.db2.gz CQQOYJLCJJBXNT-UHFFFAOYSA-N 0 3 244.382 2.318 10 0 BEAEHN Cc1ccc([C@@H](C)NCC2CC(O)C2)o1 ZINC000084446620 384619484 /nfs/dbraw/zinc/61/94/84/384619484.db2.gz KJMSDMYTECVXKW-KPPDAEKUSA-N 0 3 209.289 2.010 10 0 BEAEHN CSCCCN1CCC[C@H]1c1cnn(C)c1 ZINC000173650711 384706385 /nfs/dbraw/zinc/70/63/85/384706385.db2.gz IINJVQYAWYPBJC-LBPRGKRZSA-N 0 3 239.388 2.310 10 0 BEAEHN CC[C@@H](CC(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000104866921 384715580 /nfs/dbraw/zinc/71/55/80/384715580.db2.gz BRFRYMHULIPECP-STQMWFEESA-N 0 3 240.391 2.269 10 0 BEAEHN C[C@@H]1Sc2c(cc(F)cc2F)[C@@H]1N ZINC000043636139 384728487 /nfs/dbraw/zinc/72/84/87/384728487.db2.gz QIJCZAJCUQGCOK-RNHFCUEFSA-N 0 3 201.241 2.459 10 0 BEAEHN CC(C)=CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052554759 384736431 /nfs/dbraw/zinc/73/64/31/384736431.db2.gz UEFSEBIDSWYXBZ-AWEZNQCLSA-N 0 3 246.354 2.372 10 0 BEAEHN NC[C@H](N)c1c(F)ccc(Cl)c1Cl ZINC000044473150 384741812 /nfs/dbraw/zinc/74/18/12/384741812.db2.gz NHBCUAICKNFGEP-LURJTMIESA-N 0 3 223.078 2.091 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2O)o1 ZINC000038097770 384795874 /nfs/dbraw/zinc/79/58/74/384795874.db2.gz PXDKFBIBUWXTRY-AXFHLTTASA-N 0 3 209.289 2.152 10 0 BEAEHN CCCC(=O)N[C@@H]1CCCN(CC=C(C)C)C1 ZINC000101564452 384797856 /nfs/dbraw/zinc/79/78/56/384797856.db2.gz WZVUNCJKWVHDAR-CYBMUJFWSA-N 0 3 238.375 2.333 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000055421485 384883340 /nfs/dbraw/zinc/88/33/40/384883340.db2.gz VSOUHPQMJMFVJV-SNVBAGLBSA-N 0 3 228.295 2.386 10 0 BEAEHN NC[C@@H](F)c1cscc1Br ZINC000156357486 384851264 /nfs/dbraw/zinc/85/12/64/384851264.db2.gz HWDOZQZJZNVORA-ZCFIWIBFSA-N 0 3 224.098 2.480 10 0 BEAEHN CN(CCO)Cc1ccc(C(C)(C)C)s1 ZINC000127924344 384921493 /nfs/dbraw/zinc/92/14/93/384921493.db2.gz BYUGKLFRLBZKJZ-UHFFFAOYSA-N 0 3 227.373 2.470 10 0 BEAEHN CCN1CCC[C@H](N[C@@H](C)c2ccoc2)C1 ZINC000087289964 384938592 /nfs/dbraw/zinc/93/85/92/384938592.db2.gz BDRFIKHOALFYLS-AAEUAGOBSA-N 0 3 222.332 2.415 10 0 BEAEHN CCc1ccc(CNC[C@H]2CCCC[C@H]2O)o1 ZINC000085973553 384975896 /nfs/dbraw/zinc/97/58/96/384975896.db2.gz QXTLHEMKICSNKE-BXUZGUMPSA-N 0 3 237.343 2.483 10 0 BEAEHN Cc1cc(CN[C@H]2CCCC[C@@H]2CO)sn1 ZINC000404435051 384996243 /nfs/dbraw/zinc/99/62/43/384996243.db2.gz QPVQIPDASLPAIL-PWSUYJOCSA-N 0 3 240.372 2.092 10 0 BEAEHN CC[C@](C)(O)CN[C@@H]1CCc2c1cccc2O ZINC000087012048 385063324 /nfs/dbraw/zinc/06/33/24/385063324.db2.gz VMRSNQLNODYRSL-OCCSQVGLSA-N 0 3 235.327 2.130 10 0 BEAEHN CC(C)CC(C)(C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000177646358 385074826 /nfs/dbraw/zinc/07/48/26/385074826.db2.gz SXXMJJRJACSUAX-GFCCVEGCSA-N 0 3 240.391 2.221 10 0 BEAEHN Cc1ccc([C@H](O)CN[C@@H]2CCCSC2)o1 ZINC000128291539 385023835 /nfs/dbraw/zinc/02/38/35/385023835.db2.gz CGSPABJIUUYILS-GHMZBOCLSA-N 0 3 241.356 2.107 10 0 BEAEHN NC[C@@H](F)Cc1cc(Br)cs1 ZINC000156373069 385040076 /nfs/dbraw/zinc/04/00/76/385040076.db2.gz WXSYHMKQPZFZDQ-LURJTMIESA-N 0 3 238.125 2.350 10 0 BEAEHN CN(Cc1cccc2c1NCC2)C1CC1 ZINC000130478129 385044082 /nfs/dbraw/zinc/04/40/82/385044082.db2.gz SCLHMFZPKRXGLO-UHFFFAOYSA-N 0 3 202.301 2.249 10 0 BEAEHN Cc1ccc(C(=O)OC2CCN(C)CC2)cc1 ZINC000029252548 385115519 /nfs/dbraw/zinc/11/55/19/385115519.db2.gz XKFKEXMPVOKTJQ-UHFFFAOYSA-N 0 3 233.311 2.246 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1ccoc1C ZINC000119409782 385094959 /nfs/dbraw/zinc/09/49/59/385094959.db2.gz MBJCDPFBTMFXEE-LBPRGKRZSA-N 0 3 211.305 2.181 10 0 BEAEHN NCc1cc(C(F)F)nc(C(F)F)c1 ZINC000238644825 385260299 /nfs/dbraw/zinc/26/02/99/385260299.db2.gz HHJPTKITRHFYMV-UHFFFAOYSA-N 0 3 208.158 2.416 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NCC[C@@H]1CCOC1 ZINC000346870259 385267191 /nfs/dbraw/zinc/26/71/91/385267191.db2.gz LSTFSQFRCQWWDB-YPMHNXCESA-N 0 3 233.311 2.136 10 0 BEAEHN C[C@@](F)(CN)c1occc1Br ZINC000156449993 385284903 /nfs/dbraw/zinc/28/49/03/385284903.db2.gz LANHHVLGLJMZMT-SSDOTTSWSA-N 0 3 222.057 2.186 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1ccco1 ZINC000167997386 385344886 /nfs/dbraw/zinc/34/48/86/385344886.db2.gz DWJBXTWYWORZSJ-QJPTWQEYSA-N 0 3 223.316 2.481 10 0 BEAEHN N[C@H](c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000062775759 385415945 /nfs/dbraw/zinc/41/59/45/385415945.db2.gz OWSADGTXTKDODN-JTQLQIEISA-N 0 3 207.664 2.111 10 0 BEAEHN Cc1csc([C@@H]2CCCN(C[C@@H](C)O)C2)n1 ZINC000194952082 385453905 /nfs/dbraw/zinc/45/39/05/385453905.db2.gz ANESQSSBBBQUOF-GHMZBOCLSA-N 0 3 240.372 2.012 10 0 BEAEHN C[C@H]1C[C@@](O)(c2ccsc2)CCN1C ZINC000156794667 385469710 /nfs/dbraw/zinc/46/97/10/385469710.db2.gz SQMXRNSICPZYLX-GXSJLCMTSA-N 0 3 211.330 2.050 10 0 BEAEHN CN[C@@H](C)c1coc(Br)c1 ZINC000257824162 385500277 /nfs/dbraw/zinc/50/02/77/385500277.db2.gz FEFQKDOORRRLHD-YFKPBYRVSA-N 0 3 204.067 2.323 10 0 BEAEHN CCOC(=O)c1cccc([C@H]2CCN(C)C2)c1 ZINC000259524264 385546626 /nfs/dbraw/zinc/54/66/26/385546626.db2.gz PWEBFCFMPWUSRL-ZDUSSCGKSA-N 0 3 233.311 2.282 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000037164542 385597970 /nfs/dbraw/zinc/59/79/70/385597970.db2.gz FZAABRAAHNYLIW-MNOVXSKESA-N 0 3 241.281 2.358 10 0 BEAEHN C[C@@H](N[C@@H](C)c1ccc(F)cn1)[C@H]1CCCO1 ZINC000251544279 385625668 /nfs/dbraw/zinc/62/56/68/385625668.db2.gz PHAXSFRYJUURLX-OPQQBVKSSA-N 0 3 238.306 2.439 10 0 BEAEHN CN[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000055421700 385641699 /nfs/dbraw/zinc/64/16/99/385641699.db2.gz GCHJACGBYJOBAW-LLVKDONJSA-N 0 3 220.316 2.158 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnn(CC(F)F)c1 ZINC000336714496 385809517 /nfs/dbraw/zinc/80/95/17/385809517.db2.gz RYXAIYDLCSUGRW-MNOVXSKESA-N 0 3 243.301 2.426 10 0 BEAEHN Cc1cn[nH]c1CN[C@@H]1CCOc2ccccc21 ZINC000284024644 385847673 /nfs/dbraw/zinc/84/76/73/385847673.db2.gz LXXAWSOEBRHFMR-GFCCVEGCSA-N 0 3 243.310 2.332 10 0 BEAEHN Clc1nccc(NCCN2CCCCC2)n1 ZINC000051849990 385957276 /nfs/dbraw/zinc/95/72/76/385957276.db2.gz IIHYEPWXVHHJJD-UHFFFAOYSA-N 0 3 240.738 2.028 10 0 BEAEHN N[C@H](CO)c1cc(F)c(Cl)c(Cl)c1 ZINC000072198485 385974545 /nfs/dbraw/zinc/97/45/45/385974545.db2.gz MAONIWMKZLWVRN-SSDOTTSWSA-N 0 3 224.062 2.125 10 0 BEAEHN C[C@H](N)c1cnc(-c2ccncc2)s1 ZINC000054159290 386112703 /nfs/dbraw/zinc/11/27/03/386112703.db2.gz QJJRTXALWSPHIW-ZETCQYMHSA-N 0 3 205.286 2.225 10 0 BEAEHN C[C@@H]1C[C@@](N)(c2ccsc2Cl)CO1 ZINC000575564591 386060059 /nfs/dbraw/zinc/06/00/59/386060059.db2.gz GKXMIKLAYPLGQU-MUWHJKNJSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@@H](O)CCN1CCC(c2nccs2)CC1 ZINC000336688868 386355123 /nfs/dbraw/zinc/35/51/23/386355123.db2.gz YXXXBYCLQLXJHC-SNVBAGLBSA-N 0 3 240.372 2.093 10 0 BEAEHN CCC[C@](C)(N)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366344859 386378458 /nfs/dbraw/zinc/37/84/58/386378458.db2.gz GHBKJDLETQDCFW-OBJOEFQTSA-N 0 3 238.375 2.295 10 0 BEAEHN C[C@H]1CC[C@H](O)CN1Cc1ccccc1F ZINC000399164007 386427573 /nfs/dbraw/zinc/42/75/73/386427573.db2.gz CQFSDOCEJYZTSL-JQWIXIFHSA-N 0 3 223.291 2.171 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000519613924 386511839 /nfs/dbraw/zinc/51/18/39/386511839.db2.gz NLMSQBBXOWQJIH-FVCCEPFGSA-N 0 3 238.375 2.069 10 0 BEAEHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1cccs1 ZINC000399218034 386456810 /nfs/dbraw/zinc/45/68/10/386456810.db2.gz BAIYQTIRDMGEIX-GZMMTYOYSA-N 0 3 238.356 2.053 10 0 BEAEHN CCC[C@@H](C(=O)NC(CC)CC)N(C)C ZINC000179333083 386638047 /nfs/dbraw/zinc/63/80/47/386638047.db2.gz KVUNCJXWEQDSDC-NSHDSACASA-N 0 3 214.353 2.022 10 0 BEAEHN CCC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)N(C)C ZINC000179333245 386641260 /nfs/dbraw/zinc/64/12/60/386641260.db2.gz UBAIIVGKYKHYTJ-RWMBFGLXSA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@@H](N)c1csc(N(C)C(C)(C)C)n1 ZINC000306681255 386664752 /nfs/dbraw/zinc/66/47/52/386664752.db2.gz NMTFTOSOCLJGMK-SSDOTTSWSA-N 0 3 213.350 2.398 10 0 BEAEHN C[C@@H]1[C@@H](O)CCCN1Cc1cccs1 ZINC000295113406 386692443 /nfs/dbraw/zinc/69/24/43/386692443.db2.gz WKJAITHCKNLPGD-KOLCDFICSA-N 0 3 211.330 2.093 10 0 BEAEHN c1n[nH]cc1[C@@H]1CCCCN1C[C@@H]1CCCO1 ZINC000114484089 386784246 /nfs/dbraw/zinc/78/42/46/386784246.db2.gz MIPMHIUCNIFMTH-STQMWFEESA-N 0 3 235.331 2.116 10 0 BEAEHN NCc1cccc(Oc2ccc(F)cc2)n1 ZINC000051548122 386834900 /nfs/dbraw/zinc/83/49/00/386834900.db2.gz HOVMYCCQLQLBEQ-UHFFFAOYSA-N 0 3 218.231 2.472 10 0 BEAEHN FC(F)(F)CCN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334789322 386851493 /nfs/dbraw/zinc/85/14/93/386851493.db2.gz QNAGCGIRUPCMDO-NXEZZACHSA-N 0 3 249.276 2.440 10 0 BEAEHN FC(F)(F)CCN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334789872 386852843 /nfs/dbraw/zinc/85/28/43/386852843.db2.gz QNAGCGIRUPCMDO-UWVGGRQHSA-N 0 3 249.276 2.440 10 0 BEAEHN CCc1cc(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)ccn1 ZINC000398736323 386975564 /nfs/dbraw/zinc/97/55/64/386975564.db2.gz DRNQAZQESARSDV-HUBLWGQQSA-N 0 3 246.354 2.241 10 0 BEAEHN O[C@@H]1CC[C@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000398689152 386949842 /nfs/dbraw/zinc/94/98/42/386949842.db2.gz BSNLWENZKBBQLW-IACUBPJLSA-N 0 3 249.329 2.419 10 0 BEAEHN COc1ccc(OC)c([C@@H](N)CC(F)F)c1 ZINC000575437465 387106327 /nfs/dbraw/zinc/10/63/27/387106327.db2.gz GGUAZWXNEROOEY-VIFPVBQESA-N 0 3 231.242 2.359 10 0 BEAEHN COc1cccc(OC)c1[C@H](N)CCF ZINC000575438868 387119821 /nfs/dbraw/zinc/11/98/21/387119821.db2.gz DKTXNPRCONTLOP-MRVPVSSYSA-N 0 3 213.252 2.063 10 0 BEAEHN COc1ccc(OC)c([C@@H](N)CCF)c1 ZINC000575439536 387124315 /nfs/dbraw/zinc/12/43/15/387124315.db2.gz FHXPCQUIBIKPIO-JTQLQIEISA-N 0 3 213.252 2.063 10 0 BEAEHN COc1cc(F)c([C@H](N)CCF)cc1OC ZINC000575439712 387126291 /nfs/dbraw/zinc/12/62/91/387126291.db2.gz VJNGZIHOLVGCFG-SECBINFHSA-N 0 3 231.242 2.202 10 0 BEAEHN C[C@@H]1C[C@H](c2ccccc2)C[C@@H](O)N1C ZINC000536949842 387161230 /nfs/dbraw/zinc/16/12/30/387161230.db2.gz GMAAEVUSVBNALE-KGYLQXTDSA-N 0 3 205.301 2.203 10 0 BEAEHN CC1(C)C[C@@]1(N)c1ccncc1Br ZINC000575592896 387219319 /nfs/dbraw/zinc/21/93/19/387219319.db2.gz YRWWAQLVVNTFFX-SNVBAGLBSA-N 0 3 241.132 2.428 10 0 BEAEHN CO[C@H](CN[C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000292057034 387229824 /nfs/dbraw/zinc/22/98/24/387229824.db2.gz BJMSTQXGOJDMMR-MRVWCRGKSA-N 0 3 235.327 2.141 10 0 BEAEHN CCC[C@@H](C(=O)NCC1(C)CCCC1)N(C)C ZINC000162068624 387312473 /nfs/dbraw/zinc/31/24/73/387312473.db2.gz AOYVPVDJFXWMAM-LBPRGKRZSA-N 0 3 240.391 2.413 10 0 BEAEHN CN(CC(=O)NC(C)(C)C)C[C@H]1CC=CCC1 ZINC000120652004 387260417 /nfs/dbraw/zinc/26/04/17/387260417.db2.gz RGXSZCOCXAEWHN-LBPRGKRZSA-N 0 3 238.375 2.189 10 0 BEAEHN Cc1nn(CC(F)(F)F)cc1CNC1CC1 ZINC000575602078 387368689 /nfs/dbraw/zinc/36/86/89/387368689.db2.gz HVMSEMMYFYMHJB-UHFFFAOYSA-N 0 3 233.237 2.006 10 0 BEAEHN C[C@H]1C[C@@]2(CC(=O)CO2)CN1Cc1ccccc1 ZINC000575500836 387348257 /nfs/dbraw/zinc/34/82/57/387348257.db2.gz XQLUEJIOSCQJQY-SWLSCSKDSA-N 0 3 245.322 2.009 10 0 BEAEHN CCOc1ccccc1CN(C)[C@@H]1CCC[C@@H]1O ZINC000352668924 387430703 /nfs/dbraw/zinc/43/07/03/387430703.db2.gz VYQKUVSMIQQDCG-KGLIPLIRSA-N 0 3 249.354 2.431 10 0 BEAEHN CCCC(CCC)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000121680663 387392860 /nfs/dbraw/zinc/39/28/60/387392860.db2.gz SSEABFFGVUMHDJ-CYBMUJFWSA-N 0 3 240.391 2.365 10 0 BEAEHN CCCCN1CCCC[C@H]1c1nnc[nH]1 ZINC000121742789 387402888 /nfs/dbraw/zinc/40/28/88/387402888.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 0 3 208.309 2.132 10 0 BEAEHN CCCC[N@@H+]1CCCC[C@H]1c1nnc[n-]1 ZINC000121742789 387402892 /nfs/dbraw/zinc/40/28/92/387402892.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 0 3 208.309 2.132 10 0 BEAEHN CCCC[N@H+]1CCCC[C@H]1c1nnc[n-]1 ZINC000121742789 387402893 /nfs/dbraw/zinc/40/28/93/387402893.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 0 3 208.309 2.132 10 0 BEAEHN CCOC[C@@H](C)N[C@H]1COc2ccccc21 ZINC000122371214 387517188 /nfs/dbraw/zinc/51/71/88/387517188.db2.gz RQUHBKWTKCADBJ-PWSUYJOCSA-N 0 3 221.300 2.135 10 0 BEAEHN CC(C)CCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000122861860 387608518 /nfs/dbraw/zinc/60/85/18/387608518.db2.gz RSOOPLJDFOUJNC-CHWSQXEVSA-N 0 3 240.391 2.364 10 0 BEAEHN C[C@H]1Oc2c(ccc(F)c2Br)[C@@H]1N ZINC000575547394 387640776 /nfs/dbraw/zinc/64/07/76/387640776.db2.gz ZFLLGBLNEBTUDJ-SPGJFGJESA-N 0 3 246.079 2.369 10 0 BEAEHN NC1(c2ccsc2Cl)CSC1 ZINC000575548634 387645009 /nfs/dbraw/zinc/64/50/09/387645009.db2.gz GAYAOYASRHTMKB-UHFFFAOYSA-N 0 3 205.735 2.302 10 0 BEAEHN NC1(c2ccc(Cl)cc2F)CSC1 ZINC000575550744 387654652 /nfs/dbraw/zinc/65/46/52/387654652.db2.gz VXNOEACRDOYAJT-UHFFFAOYSA-N 0 3 217.696 2.380 10 0 BEAEHN Cc1nc([C@@]2(N)CCCSC2)cs1 ZINC000575554886 387692772 /nfs/dbraw/zinc/69/27/72/387692772.db2.gz HTSNLCFAWPPCGC-SECBINFHSA-N 0 3 214.359 2.133 10 0 BEAEHN Cc1cc([C@]2(N)CCS[C@H]2C)sn1 ZINC000575560190 387701339 /nfs/dbraw/zinc/70/13/39/387701339.db2.gz JDENQBIJCXTZSA-CBAPKCEASA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1cc([C@@]2(N)CCS[C@H]2C)sn1 ZINC000575560193 387701865 /nfs/dbraw/zinc/70/18/65/387701865.db2.gz JDENQBIJCXTZSA-IONNQARKSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1ccc(CN2CCCC[C@H](CO)C2)o1 ZINC000377236842 387703999 /nfs/dbraw/zinc/70/39/99/387703999.db2.gz GSNARFXNCPDEPI-LBPRGKRZSA-N 0 3 223.316 2.182 10 0 BEAEHN CCOCCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000045169947 387705975 /nfs/dbraw/zinc/70/59/75/387705975.db2.gz IRUBMKZJGUUBLC-JTQLQIEISA-N 0 3 239.363 2.207 10 0 BEAEHN C[C@@H]1C[C@](N)(c2sccc2Cl)CO1 ZINC000575564197 387706133 /nfs/dbraw/zinc/70/61/33/387706133.db2.gz DGPGGJGOOLXYQX-HZGVNTEJSA-N 0 3 217.721 2.364 10 0 BEAEHN CCCn1cc(CN(C)C2CCC2)cn1 ZINC000127454222 387714299 /nfs/dbraw/zinc/71/42/99/387714299.db2.gz GSWFARGKPKHTOO-UHFFFAOYSA-N 0 3 207.321 2.277 10 0 BEAEHN C[C@H]1COC[C@]1(N)c1ccsc1Cl ZINC000575573299 387755584 /nfs/dbraw/zinc/75/55/84/387755584.db2.gz WSVOSOPBGOYRHM-IMTBSYHQSA-N 0 3 217.721 2.222 10 0 BEAEHN C[C@@H]1SCCC[C@@]1(N)c1cncs1 ZINC000575567514 387736306 /nfs/dbraw/zinc/73/63/06/387736306.db2.gz YAAVYLBVCXTDDN-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN N[C@H](c1ncsc1Br)C1CC1 ZINC000575571041 387739940 /nfs/dbraw/zinc/73/99/40/387739940.db2.gz SLWIBANEZOONOM-YFKPBYRVSA-N 0 3 233.134 2.315 10 0 BEAEHN OCCC1(CNCc2ccsc2)CC1 ZINC000133077944 387797545 /nfs/dbraw/zinc/79/75/45/387797545.db2.gz FYTXHUJJIROWJR-UHFFFAOYSA-N 0 3 211.330 2.000 10 0 BEAEHN c1nnc([C@@H]2CCCN(C3CCC3)C2)n1C1CC1 ZINC000194728619 387893455 /nfs/dbraw/zinc/89/34/55/387893455.db2.gz ZPJPECYRBLRSAN-LLVKDONJSA-N 0 3 246.358 2.345 10 0 BEAEHN Cc1cc(C(=O)[C@@H]2CCCN2)ccc1F ZINC000011630663 177825978 /nfs/dbraw/zinc/82/59/78/177825978.db2.gz AGECOYPWOGLZNW-NSHDSACASA-N 0 3 207.248 2.069 10 0 BEAEHN CN[C@H]1CC[S@@](=O)c2c(Cl)cccc21 ZINC000040974068 387977978 /nfs/dbraw/zinc/97/79/78/387977978.db2.gz DBJCJGYVONEIKQ-XPTSAGLGSA-N 0 3 229.732 2.112 10 0 BEAEHN C[C@@H]1CN([C@@H]2Cc3ccccc3[C@H]2O)CCS1 ZINC000245856617 387987845 /nfs/dbraw/zinc/98/78/45/387987845.db2.gz NRJBWVMLOLHGON-LERXQTSPSA-N 0 3 249.379 2.082 10 0 BEAEHN CC1(CNCc2cn3c(n2)CCCC3)CC1 ZINC000309657989 388000933 /nfs/dbraw/zinc/00/09/33/388000933.db2.gz AIUOFCSKLHVTHZ-UHFFFAOYSA-N 0 3 219.332 2.109 10 0 BEAEHN CCSCCN1CCO[C@H]2CCCC[C@H]21 ZINC000246181180 388016877 /nfs/dbraw/zinc/01/68/77/388016877.db2.gz ROPNMUIYZYGDFC-NEPJUHHUSA-N 0 3 229.389 2.383 10 0 BEAEHN CCCn1cc(CN(C)[C@@H]2CCSC2)cn1 ZINC000130556921 388099755 /nfs/dbraw/zinc/09/97/55/388099755.db2.gz PITXSNDBBFAKKC-GFCCVEGCSA-N 0 3 239.388 2.230 10 0 BEAEHN CCOc1ccccc1[C@H](C)NC[C@@H](C)CO ZINC000086616791 388104117 /nfs/dbraw/zinc/10/41/17/388104117.db2.gz NLMNYDRKJZCPKP-NEPJUHHUSA-N 0 3 237.343 2.364 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1ccc(CO)o1 ZINC000165036206 388250082 /nfs/dbraw/zinc/25/00/82/388250082.db2.gz NBGGFFGTABLERX-CABZTGNLSA-N 0 3 209.289 2.050 10 0 BEAEHN Cc1cc(CN2CCC[C@H](O)[C@H]2C)cs1 ZINC000295095643 388409289 /nfs/dbraw/zinc/40/92/89/388409289.db2.gz UHLXWADDQLSXSZ-PWSUYJOCSA-N 0 3 225.357 2.402 10 0 BEAEHN Cc1ccc([C@H](C)NCc2c[nH]nn2)cc1C ZINC000296279420 388420928 /nfs/dbraw/zinc/42/09/28/388420928.db2.gz KVOKGNGEFWCLDR-NSHDSACASA-N 0 3 230.315 2.272 10 0 BEAEHN CC(C)C1(NCC(=O)NCc2ccccc2)CC1 ZINC000339507359 388483763 /nfs/dbraw/zinc/48/37/63/388483763.db2.gz AKSRKQYGSJCNTA-UHFFFAOYSA-N 0 3 246.354 2.081 10 0 BEAEHN CC[C@H](N[C@@H](C)c1nncn1C)[C@H]1CC1(C)C ZINC000397653099 388488260 /nfs/dbraw/zinc/48/82/60/388488260.db2.gz BBBYWYLLJUXIAM-AXFHLTTASA-N 0 3 236.363 2.290 10 0 BEAEHN CCC[C@H](C(=O)N(C)C[C@@H](C)CC)N(C)C ZINC000178658659 388502688 /nfs/dbraw/zinc/50/26/88/388502688.db2.gz UWICGRZRBHIKJF-NWDGAFQWSA-N 0 3 228.380 2.221 10 0 BEAEHN CCC[C@@H](C(=O)N(CC)CC(C)C)N(C)C ZINC000135787759 388508036 /nfs/dbraw/zinc/50/80/36/388508036.db2.gz UNGSNNPJUDUUJO-LBPRGKRZSA-N 0 3 228.380 2.221 10 0 BEAEHN CCc1ccc(CN[C@@H](C)[C@@H]2CCCO2)nc1 ZINC000345102974 388511123 /nfs/dbraw/zinc/51/11/23/388511123.db2.gz OUTMESNILOSISL-FZMZJTMJSA-N 0 3 234.343 2.301 10 0 BEAEHN Cc1ccc([C@H](C)NC[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000367688884 388566489 /nfs/dbraw/zinc/56/64/89/388566489.db2.gz NQAXWFVHQBWDSS-FIQHERPVSA-N 0 3 221.300 2.131 10 0 BEAEHN C[C@@H]1CCC[C@H](NCc2ccn(C)n2)CC1 ZINC000124706947 388665598 /nfs/dbraw/zinc/66/55/98/388665598.db2.gz DCRQAWDEEQNBIU-NEPJUHHUSA-N 0 3 221.348 2.479 10 0 BEAEHN CCn1c(C)nnc1CN[C@H]1CCCC1(C)C ZINC000191851317 388671562 /nfs/dbraw/zinc/67/15/62/388671562.db2.gz RSFKRTHYJJUMTD-NSHDSACASA-N 0 3 236.363 2.275 10 0 BEAEHN C[C@H](CN1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189307852 388630487 /nfs/dbraw/zinc/63/04/87/388630487.db2.gz GYEPVWRKOLATKG-CHWSQXEVSA-N 0 3 246.354 2.001 10 0 BEAEHN Cc1nnc(C[NH2+]C2C3CC4CC(C3)CC2C4)[n-]1 ZINC000328791716 388646255 /nfs/dbraw/zinc/64/62/55/388646255.db2.gz RAGXZHOIRSBLFP-UHFFFAOYSA-N 0 3 246.358 2.027 10 0 BEAEHN CCCn1cc(CNC2(C)CCC2)cn1 ZINC000126159594 388689220 /nfs/dbraw/zinc/68/92/20/388689220.db2.gz DEWIAEZRGDKVFS-UHFFFAOYSA-N 0 3 207.321 2.325 10 0 BEAEHN CCCC[C@H](CC)CN1CCCNC(=O)[C@H]1C ZINC000248946574 388700628 /nfs/dbraw/zinc/70/06/28/388700628.db2.gz CJYMNLNAYMLKAM-OLZOCXBDSA-N 0 3 240.391 2.413 10 0 BEAEHN Cc1cnn(CCN[C@@H](C)c2ccoc2)c1 ZINC000127253027 388718208 /nfs/dbraw/zinc/71/82/08/388718208.db2.gz LDHUSNBYTKSALX-NSHDSACASA-N 0 3 219.288 2.135 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cnccn1 ZINC000252730496 388776325 /nfs/dbraw/zinc/77/63/25/388776325.db2.gz LQJWFZFHHIIHQK-GMTAPVOTSA-N 0 3 205.305 2.316 10 0 BEAEHN CC(C)n1nccc1CN[C@H](C)[C@H]1CCCO1 ZINC000337202138 388849911 /nfs/dbraw/zinc/84/99/11/388849911.db2.gz GPCJYVNYSFHBCL-DGCLKSJQSA-N 0 3 237.347 2.121 10 0 BEAEHN O=C1CO[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000575499399 388989830 /nfs/dbraw/zinc/98/98/30/388989830.db2.gz GSXQYWQEOHPLFD-OAHLLOKOSA-N 0 3 245.322 2.011 10 0 BEAEHN C[C@@H]1CN(c2ccc(F)c(Cl)c2)CCN1 ZINC000071533836 132308816 /nfs/dbraw/zinc/30/88/16/132308816.db2.gz YXFWZUYNMBMTKJ-MRVPVSSYSA-N 0 3 228.698 2.277 10 0 BEAEHN COc1cc(Cl)c(C)cc1N1CCNCC1 ZINC000011632571 132319932 /nfs/dbraw/zinc/31/99/32/132319932.db2.gz YNDIICIASNKDDT-UHFFFAOYSA-N 0 3 240.734 2.067 10 0 BEAEHN CC[C@@H](C)Oc1cccc(N2CCNCC2)c1 ZINC000019688514 132326339 /nfs/dbraw/zinc/32/63/39/132326339.db2.gz XYXSUZJFXSVBJW-GFCCVEGCSA-N 0 3 234.343 2.274 10 0 BEAEHN CC[C@H](C)N1CCN(c2ccccc2N)CC1 ZINC000020265468 132330817 /nfs/dbraw/zinc/33/08/17/132330817.db2.gz GXLQHPJYBQVZGB-LBPRGKRZSA-N 0 3 233.359 2.189 10 0 BEAEHN CC(C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186306 132343568 /nfs/dbraw/zinc/34/35/68/132343568.db2.gz MXTNDMNWSZJGGP-NSHDSACASA-N 0 3 218.300 2.092 10 0 BEAEHN CC(C)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186806 132343647 /nfs/dbraw/zinc/34/36/47/132343647.db2.gz HMQKCSYQDWGDNG-GFCCVEGCSA-N 0 3 232.327 2.340 10 0 BEAEHN C[C@](N)(C(=O)N1CCCc2ccccc21)C1CC1 ZINC000037614346 132345013 /nfs/dbraw/zinc/34/50/13/132345013.db2.gz QKKJEZPPEMFBPI-OAHLLOKOSA-N 0 3 244.338 2.093 10 0 BEAEHN CN1c2ccccc2[C@@H](N[C@H]2CC2(C)C)CC1=O ZINC000045117715 132354831 /nfs/dbraw/zinc/35/48/31/132354831.db2.gz KYXXRDJWYPIYAZ-AAEUAGOBSA-N 0 3 244.338 2.482 10 0 BEAEHN Cc1cc(CO)ccc1N1CCN(C(C)C)CC1 ZINC000050560855 132359105 /nfs/dbraw/zinc/35/91/05/132359105.db2.gz GZWDSQGYNHHZON-UHFFFAOYSA-N 0 3 248.370 2.018 10 0 BEAEHN CC[C@@H]1CCCN(c2ccnc(CN)c2)C1 ZINC000051396977 132360284 /nfs/dbraw/zinc/36/02/84/132360284.db2.gz PEZNMLNJGDKOKU-LLVKDONJSA-N 0 3 219.332 2.167 10 0 BEAEHN CNCc1cccc(N2CC[C@@H](C)C[C@H]2C)n1 ZINC000051748713 132361788 /nfs/dbraw/zinc/36/17/88/132361788.db2.gz QJCNYVSDDAKGIA-VXGBXAGGSA-N 0 3 233.359 2.426 10 0 BEAEHN C[C@@H]1CCN(c2ccnc(CN)c2)[C@H](C)C1 ZINC000051748752 132361850 /nfs/dbraw/zinc/36/18/50/132361850.db2.gz ULCKDFGMISZHEM-GHMZBOCLSA-N 0 3 219.332 2.165 10 0 BEAEHN C[C@@H]1CN(c2ccccc2Cl)CCN1 ZINC000054348305 132364091 /nfs/dbraw/zinc/36/40/91/132364091.db2.gz JKUQCMILVKWXCT-SECBINFHSA-N 0 3 210.708 2.138 10 0 BEAEHN CC[C@H](C)N1CCN(c2ccc(C)cc2N)CC1 ZINC000055066368 132365279 /nfs/dbraw/zinc/36/52/79/132365279.db2.gz ZWMKGODIAOHPFA-ZDUSSCGKSA-N 0 3 247.386 2.498 10 0 BEAEHN O=C(N[C@@H]1CC12CCCC2)C12CCCN1CCC2 ZINC000336011995 134051620 /nfs/dbraw/zinc/05/16/20/134051620.db2.gz MQIPGCSIIBPVJF-GFCCVEGCSA-N 0 3 248.370 2.064 10 0 BEAEHN C[C@H]1C[C@H](CN2CC(C(F)(F)F)C2)CCO1 ZINC000336188917 134122355 /nfs/dbraw/zinc/12/23/55/134122355.db2.gz LOEKFGGFBOOCCH-DTWKUNHWSA-N 0 3 237.265 2.296 10 0 BEAEHN CC(C)N1CCN(C[C@H]2CCCC2(F)F)CC1 ZINC000336204174 134131368 /nfs/dbraw/zinc/13/13/68/134131368.db2.gz OXRZCZKZWCVDOT-GFCCVEGCSA-N 0 3 246.345 2.448 10 0 BEAEHN O[C@]12CCCC[C@@H]1CN(C/C=C/Cl)CC2 ZINC000220393545 134306544 /nfs/dbraw/zinc/30/65/44/134306544.db2.gz YFFFRCZWKOHWOI-HNFQPOCMSA-N 0 3 229.751 2.366 10 0 BEAEHN CCC[C@H](C(=O)N1CCCC[C@@H](C)C1)N(C)C ZINC000184441611 134361044 /nfs/dbraw/zinc/36/10/44/134361044.db2.gz NXFAQASBJSTXNZ-CHWSQXEVSA-N 0 3 240.391 2.365 10 0 BEAEHN Cc1cc(CN2C[C@H]3CCCCN3C[C@H]2C)no1 ZINC000227704213 134384534 /nfs/dbraw/zinc/38/45/34/134384534.db2.gz VGBBSHPNAMSFSW-BXUZGUMPSA-N 0 3 249.358 2.042 10 0 BEAEHN CCOc1ccc(CN2CC[C@@H](CCO)C2)cc1 ZINC000227576122 134385724 /nfs/dbraw/zinc/38/57/24/134385724.db2.gz LXXNVACONHNXPK-AWEZNQCLSA-N 0 3 249.354 2.290 10 0 BEAEHN CO[C@@H](C)CN1CCC[C@H]1c1ccco1 ZINC000248422641 135007571 /nfs/dbraw/zinc/00/75/71/135007571.db2.gz MRIOYZYMHUVRGC-QWRGUYRKSA-N 0 3 209.289 2.451 10 0 BEAEHN Cn1cc([C@@H]2CCCN2C[C@H]2CCC=CO2)cn1 ZINC000248828468 135023046 /nfs/dbraw/zinc/02/30/46/135023046.db2.gz GWGWRBPOIDZVSV-KGLIPLIRSA-N 0 3 247.342 2.250 10 0 BEAEHN C[C@@H]1C[C@@H]1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252948206 135117610 /nfs/dbraw/zinc/11/76/10/135117610.db2.gz AYGWJNLOXCBQPV-SYQHCUMBSA-N 0 3 222.376 2.201 10 0 BEAEHN Cc1nccc(CNC[C@@]2(C)CCCS2)n1 ZINC000087793217 135172131 /nfs/dbraw/zinc/17/21/31/135172131.db2.gz QIYXCKLIYWQRLM-GFCCVEGCSA-N 0 3 237.372 2.160 10 0 BEAEHN CCC[C@@](C)(N)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261554875 135194239 /nfs/dbraw/zinc/19/42/39/135194239.db2.gz PGICCSZHWSDYDD-MBNYWOFBSA-N 0 3 238.375 2.153 10 0 BEAEHN N[C@@H](c1ccsn1)C1CC(F)(F)C1 ZINC000307087934 397978582 /nfs/dbraw/zinc/97/85/82/397978582.db2.gz SKMHNDOQMVYLRI-SSDOTTSWSA-N 0 3 204.245 2.188 10 0 BEAEHN F[C@@H]1CCCC[C@H]1NC[C@@H]1CCCO1 ZINC000616581270 398043276 /nfs/dbraw/zinc/04/32/76/398043276.db2.gz KWKWVKSNUXPUBK-HBNTYKKESA-N 0 3 201.285 2.036 10 0 BEAEHN c1ccc2oc(N3CCN4CCC3CC4)nc2c1 ZINC000033962275 398089456 /nfs/dbraw/zinc/08/94/56/398089456.db2.gz CXJLWJAYGMWLRR-UHFFFAOYSA-N 0 3 243.310 2.112 10 0 in-vivo BEAEHN C[C@@H](Cn1cc(C(C)(C)N)nn1)c1ccccc1 ZINC000384705429 398102770 /nfs/dbraw/zinc/10/27/70/398102770.db2.gz FLKZSFTVMBMPQZ-NSHDSACASA-N 0 3 244.342 2.276 10 0 BEAEHN CC(C)N[C@@]1(CO)CCSc2ccccc21 ZINC000038115602 167136793 /nfs/dbraw/zinc/13/67/93/167136793.db2.gz KJMZKCXOXOGNQH-CYBMUJFWSA-N 0 3 237.368 2.368 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094956505 487565300 /nfs/dbraw/zinc/56/53/00/487565300.db2.gz HOFYCNWPIZMXRF-JOYOIKCWSA-N 0 3 238.306 2.049 10 0 BEAEHN Cc1cc(Br)cc(CN)c1F ZINC000075844816 177722172 /nfs/dbraw/zinc/72/21/72/177722172.db2.gz PEOKNHLOKQPMIA-UHFFFAOYSA-N 0 3 218.069 2.355 10 0 BEAEHN CC(C)Oc1cccc(CN)c1OC1CC1 ZINC000095738068 167305543 /nfs/dbraw/zinc/30/55/43/167305543.db2.gz UEYHQRNOCGTPGC-UHFFFAOYSA-N 0 3 221.300 2.474 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCCCC(C)(C)C ZINC000313456195 410066935 /nfs/dbraw/zinc/06/69/35/410066935.db2.gz DHSIXRCIZVQDNZ-GHMZBOCLSA-N 0 3 228.380 2.302 10 0 BEAEHN Brc1ccccc1[C@H]1CNCO1 ZINC000071533581 166103119 /nfs/dbraw/zinc/10/31/19/166103119.db2.gz AMNOSBQJFZBXSM-SECBINFHSA-N 0 3 228.089 2.068 10 0 BEAEHN Cc1ccc([C@H](C)NC(=O)CNC(C)C)c(C)c1 ZINC000037765417 487618458 /nfs/dbraw/zinc/61/84/58/487618458.db2.gz MSYZMLDVYSZXJQ-ZDUSSCGKSA-N 0 3 248.370 2.479 10 0 BEAEHN CC(C)CC[C@@](C)(NCc1ccccc1)C(N)=O ZINC000037941333 166900728 /nfs/dbraw/zinc/90/07/28/166900728.db2.gz IRJKNUXIZPFWGK-OAHLLOKOSA-N 0 3 248.370 2.456 10 0 BEAEHN CC(C)NCc1nc2cc(F)c(F)cc2[nH]1 ZINC000037474926 167120167 /nfs/dbraw/zinc/12/01/67/167120167.db2.gz IHWQIWSXNADHBO-UHFFFAOYSA-N 0 3 225.242 2.339 10 0 BEAEHN CC(C)N[C@@H]1CC[S@@](=O)c2ccccc21 ZINC000040973553 167133616 /nfs/dbraw/zinc/13/36/16/167133616.db2.gz NJXMGUSDMLLRST-ABAIWWIYSA-N 0 3 223.341 2.237 10 0 BEAEHN CC(C)N[C@@H]1CC[S@](=O)c2ccccc21 ZINC000040973557 167135062 /nfs/dbraw/zinc/13/50/62/167135062.db2.gz NJXMGUSDMLLRST-IAQYHMDHSA-N 0 3 223.341 2.237 10 0 BEAEHN CC(C)N[C@H](CCO)c1ccnc(Cl)c1 ZINC000095088298 167137822 /nfs/dbraw/zinc/13/78/22/167137822.db2.gz JVXWGFJRZQFFSQ-SNVBAGLBSA-N 0 3 228.723 2.157 10 0 BEAEHN CC(C)N[C@]1(CO)CCSc2ccccc21 ZINC000038115601 167141902 /nfs/dbraw/zinc/14/19/02/167141902.db2.gz KJMZKCXOXOGNQH-ZDUSSCGKSA-N 0 3 237.368 2.368 10 0 BEAEHN CC(C)N[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446546 167142198 /nfs/dbraw/zinc/14/21/98/167142198.db2.gz AOXNPWVVRFMJIO-LBPRGKRZSA-N 0 3 240.734 2.039 10 0 BEAEHN CC(C)OCCO[C@@H]1CCc2ccccc2[C@H]1N ZINC000020262994 167248042 /nfs/dbraw/zinc/24/80/42/167248042.db2.gz MKTMYXTZJXBILS-HUUCEWRRSA-N 0 3 249.354 2.443 10 0 BEAEHN CC(C)Oc1cc2c(cc1O)CCN[C@@H]2C ZINC000039110316 167288249 /nfs/dbraw/zinc/28/82/49/167288249.db2.gz XDXJQAUCFNGKME-SECBINFHSA-N 0 3 221.300 2.386 10 0 BEAEHN CC(C)Oc1ccc([C@H](C)NCCO)cc1F ZINC000020549961 167300265 /nfs/dbraw/zinc/30/02/65/167300265.db2.gz GCMSBMPXVCSWNB-JTQLQIEISA-N 0 3 241.306 2.256 10 0 BEAEHN CC(C)[C@@H](C)N(C)c1ccnc(CN)c1 ZINC000051396923 167371491 /nfs/dbraw/zinc/37/14/91/167371491.db2.gz RFBSQMTUZJIMKY-SNVBAGLBSA-N 0 3 207.321 2.021 10 0 BEAEHN CC1(C)CN(c2nccc3ccccc32)CCN1 ZINC000212778905 411149604 /nfs/dbraw/zinc/14/96/04/411149604.db2.gz FVKUZTHKAMXYHX-UHFFFAOYSA-N 0 3 241.338 2.423 10 0 BEAEHN CCC(CC)CNCc1ncnn1C(C)C ZINC000130321575 411180572 /nfs/dbraw/zinc/18/05/72/411180572.db2.gz IBZURDVVPDNRNG-UHFFFAOYSA-N 0 3 224.352 2.385 10 0 BEAEHN CCN(Cc1ccccn1)C[C@H]1CCC[C@H](O)C1 ZINC000311056568 411309836 /nfs/dbraw/zinc/30/98/36/411309836.db2.gz YHJSSQKQJUMZFZ-ZFWWWQNUSA-N 0 3 248.370 2.455 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1cccc(F)c1F ZINC000658352742 411355386 /nfs/dbraw/zinc/35/53/86/411355386.db2.gz AFXSDFWGRYNOBI-XNWIYYODSA-N 0 3 241.281 2.386 10 0 BEAEHN CC1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000040458664 168161984 /nfs/dbraw/zinc/16/19/84/168161984.db2.gz UXYFXSUUVOULGI-VQXHTEKXSA-N 0 3 226.364 2.055 10 0 BEAEHN CC1CCC(OCc2cccnc2C(=N)N)CC1 ZINC000061658611 168168567 /nfs/dbraw/zinc/16/85/67/168168567.db2.gz MIYPGSTUCROHDS-UHFFFAOYSA-N 0 3 247.342 2.461 10 0 BEAEHN CC1CCN([C@@H]2COc3ccccc3[C@H]2N)CC1 ZINC000019272114 168185957 /nfs/dbraw/zinc/18/59/57/168185957.db2.gz ODRLCXPWCDQCLZ-UKRRQHHQSA-N 0 3 246.354 2.179 10 0 BEAEHN CCC(=O)c1ccc(NCCN(C)C)cc1 ZINC000071522672 168255983 /nfs/dbraw/zinc/25/59/83/168255983.db2.gz QLTNWSGINWXDCZ-UHFFFAOYSA-N 0 3 220.316 2.253 10 0 BEAEHN CCC(=O)c1ccc(OCCN(C)C)cc1 ZINC000003621460 168256979 /nfs/dbraw/zinc/25/69/79/168256979.db2.gz VXBVLTCCIAYZCD-UHFFFAOYSA-N 0 3 221.300 2.220 10 0 BEAEHN CCC(C)(C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123249201 168262541 /nfs/dbraw/zinc/26/25/41/168262541.db2.gz GKJRJDWAGKFASB-NEPJUHHUSA-N 0 3 240.391 2.364 10 0 BEAEHN CCC(C)(C)NC(=O)CN1CCC2(CCC2)C1 ZINC000123488040 168289514 /nfs/dbraw/zinc/28/95/14/168289514.db2.gz TYHONJNEWXAVPB-UHFFFAOYSA-N 0 3 238.375 2.167 10 0 BEAEHN CCC(C)(C)NC(=O)CNC1(C(C)C)CC1 ZINC000339512681 168290334 /nfs/dbraw/zinc/29/03/34/168290334.db2.gz QGGHZSPMSZXIJJ-UHFFFAOYSA-N 0 3 226.364 2.069 10 0 BEAEHN CN1CCCOC[C@H]1c1cccc2ccnnc21 ZINC000616648176 411411930 /nfs/dbraw/zinc/41/19/30/411411930.db2.gz AEGYTYCWBFEMKT-ZDUSSCGKSA-N 0 3 243.310 2.023 10 0 BEAEHN C[C@@H](NC(=O)[C@H](CN)c1ccccc1)C(C)(C)C ZINC000122644495 411434719 /nfs/dbraw/zinc/43/47/19/411434719.db2.gz STMJRRQTQZISNX-DGCLKSJQSA-N 0 3 248.370 2.280 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1ccc(Cl)cn1 ZINC000658354217 411475027 /nfs/dbraw/zinc/47/50/27/411475027.db2.gz YBEMTTZVQCHRNT-FKTRJACZSA-N 0 3 240.734 2.157 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc(Cl)s1 ZINC000083357746 170000599 /nfs/dbraw/zinc/00/05/99/170000599.db2.gz VSFWSQMZPPHCIT-QMMMGPOBSA-N 0 3 230.764 2.368 10 0 BEAEHN CCN1CC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000328200514 170022639 /nfs/dbraw/zinc/02/26/39/170022639.db2.gz RUQXYLCEWICUMR-QWRGUYRKSA-N 0 3 208.305 2.024 10 0 BEAEHN CCN1C[C@@H](C)[C@@H](NCc2occc2C)C1 ZINC000336782158 170029855 /nfs/dbraw/zinc/02/98/55/170029855.db2.gz WURMNDQWIGHFNY-NEPJUHHUSA-N 0 3 222.332 2.018 10 0 BEAEHN CCNC(C)(C)C(=O)N(C)c1ccccc1 ZINC000061278521 170106626 /nfs/dbraw/zinc/10/66/26/170106626.db2.gz NDCRNEBRSNXZFG-UHFFFAOYSA-N 0 3 220.316 2.038 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1ccc(OC)cc1 ZINC000061278414 170107011 /nfs/dbraw/zinc/10/70/11/170107011.db2.gz OZDYXHNCXLBMDW-UHFFFAOYSA-N 0 3 236.315 2.022 10 0 BEAEHN CCNCC(=O)c1cc(C)c(OCC)cc1C ZINC000049827496 170110157 /nfs/dbraw/zinc/11/01/57/170110157.db2.gz FIWMTZRNFJLLHG-UHFFFAOYSA-N 0 3 235.327 2.494 10 0 BEAEHN CCNCc1c(C)nc(C2CC2)nc1C ZINC000054854128 170124039 /nfs/dbraw/zinc/12/40/39/170124039.db2.gz VTTIJWSKJHTFQE-UHFFFAOYSA-N 0 3 205.305 2.080 10 0 BEAEHN CCNCc1c[nH]c(-c2ccccc2OC)n1 ZINC000062821057 170124867 /nfs/dbraw/zinc/12/48/67/170124867.db2.gz VGNKIKCOKUGBIJ-UHFFFAOYSA-N 0 3 231.299 2.195 10 0 BEAEHN CCNCc1cc(C)ccc1O[C@H]1CCC[C@@H]1O ZINC000071403910 170125004 /nfs/dbraw/zinc/12/50/04/170125004.db2.gz MSPQSAMPCBCCSI-ZFWWWQNUSA-N 0 3 249.354 2.397 10 0 BEAEHN CCNCc1cc(CN(CC)CC(C)C)on1 ZINC000052449666 170125261 /nfs/dbraw/zinc/12/52/61/170125261.db2.gz IIEUAAUELSWJEH-UHFFFAOYSA-N 0 3 239.363 2.262 10 0 BEAEHN CCNCc1ccccc1Sc1nncn1C ZINC000104284993 170129054 /nfs/dbraw/zinc/12/90/54/170129054.db2.gz UEQAMDURUNXHJZ-UHFFFAOYSA-N 0 3 248.355 2.076 10 0 BEAEHN CCNCc1cn2c(C)c(C)sc2n1 ZINC000076789550 170129618 /nfs/dbraw/zinc/12/96/18/170129618.db2.gz XVDBFOSRYAPGQW-UHFFFAOYSA-N 0 3 209.318 2.122 10 0 BEAEHN CCNCc1csc(-c2ccncc2)n1 ZINC000040999623 170130077 /nfs/dbraw/zinc/13/00/77/170130077.db2.gz CGORANQQYZCUHM-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1cnn(-c2ccc(C)cc2)c1 ZINC000040932366 170130542 /nfs/dbraw/zinc/13/05/42/170130542.db2.gz RVIPHLSZQDGZQN-UHFFFAOYSA-N 0 3 215.300 2.290 10 0 BEAEHN CCNCc1sc(C2CC2)nc1COC ZINC000082445978 170133153 /nfs/dbraw/zinc/13/31/53/170133153.db2.gz NHZPLTSVCHEQTE-UHFFFAOYSA-N 0 3 226.345 2.276 10 0 BEAEHN CCN[C@@H](CO)c1ccc(C(C)C)cc1OC ZINC000071548378 170144672 /nfs/dbraw/zinc/14/46/72/170144672.db2.gz SUGYQSPXZYASPG-ZDUSSCGKSA-N 0 3 237.343 2.462 10 0 BEAEHN CCN[C@@H](CCO)c1nccc2ccccc21 ZINC000095091366 170145042 /nfs/dbraw/zinc/14/50/42/170145042.db2.gz BAQPCFOATWBPDS-ZDUSSCGKSA-N 0 3 230.311 2.268 10 0 BEAEHN CCN[C@@H](CO)c1ccc(OC(C)C)c(C)c1 ZINC000071548314 170145255 /nfs/dbraw/zinc/14/52/55/170145255.db2.gz RNGAGTCPZKIJHR-ZDUSSCGKSA-N 0 3 237.343 2.425 10 0 BEAEHN CCN[C@@H](c1ccc(C)s1)[C@H]1COCCO1 ZINC000055299831 170147872 /nfs/dbraw/zinc/14/78/72/170147872.db2.gz YVXOFIUWMWOAIO-ZYHUDNBSSA-N 0 3 241.356 2.123 10 0 BEAEHN CCN[C@@H]1CCCc2nc(CC)ncc21 ZINC000050100849 170151487 /nfs/dbraw/zinc/15/14/87/170151487.db2.gz CIVNJEBCBQHZRD-SNVBAGLBSA-N 0 3 205.305 2.026 10 0 BEAEHN CCN[C@H](C)c1cnc([C@@H]2CCOC2)s1 ZINC000054160283 170159849 /nfs/dbraw/zinc/15/98/49/170159849.db2.gz JDLMJPCCHKUQMK-RKDXNWHRSA-N 0 3 226.345 2.318 10 0 BEAEHN CCN[C@H](C)c1nc2c(cccc2F)n1C ZINC000062366386 170160120 /nfs/dbraw/zinc/16/01/20/170160120.db2.gz JGUIGDHKFQTJKS-MRVPVSSYSA-N 0 3 221.279 2.383 10 0 BEAEHN CCN[C@H](C)c1cn2c(C)csc2n1 ZINC000076788359 170160390 /nfs/dbraw/zinc/16/03/90/170160390.db2.gz KDMFMPDTEFLCEA-MRVPVSSYSA-N 0 3 209.318 2.375 10 0 BEAEHN CCN[C@H](CO)c1cccc(Br)c1 ZINC000038120371 170162325 /nfs/dbraw/zinc/16/23/25/170162325.db2.gz NZACPYFNQMVITC-SNVBAGLBSA-N 0 3 244.132 2.092 10 0 BEAEHN CCN[C@H](CO)c1ccc(C(C)C)cc1OC ZINC000071548379 170162494 /nfs/dbraw/zinc/16/24/94/170162494.db2.gz SUGYQSPXZYASPG-CYBMUJFWSA-N 0 3 237.343 2.462 10 0 BEAEHN CCN[C@H](CO)c1ccc(OCC)c(C)c1 ZINC000071531165 170162614 /nfs/dbraw/zinc/16/26/14/170162614.db2.gz WZEJDWRIOYWJFO-GFCCVEGCSA-N 0 3 223.316 2.037 10 0 BEAEHN CCN[C@H](COC)c1ccc(OCC)cc1 ZINC000044043699 170162748 /nfs/dbraw/zinc/16/27/48/170162748.db2.gz SSFRXIIKHIAEOT-CYBMUJFWSA-N 0 3 223.316 2.382 10 0 BEAEHN CCN[C@H](c1ccc(C)cc1C)[C@@H]1COCCO1 ZINC000055299977 170163055 /nfs/dbraw/zinc/16/30/55/170163055.db2.gz RKICHPIMUIPRSE-LSDHHAIUSA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@H](c1ccc(CC)cc1)[C@H]1COCCO1 ZINC000055300111 170163183 /nfs/dbraw/zinc/16/31/83/170163183.db2.gz SYSMLQOFUFOBSH-HUUCEWRRSA-N 0 3 249.354 2.315 10 0 BEAEHN CCN[C@H](c1nc(C)cs1)[C@@H]1CCOC1 ZINC000041061045 170165038 /nfs/dbraw/zinc/16/50/38/170165038.db2.gz KYJIKLBERHWDNE-ZJUUUORDSA-N 0 3 226.345 2.139 10 0 BEAEHN CCN[C@H]1CCN([C@H](C)CCCC(C)C)C1=O ZINC000049649118 170168258 /nfs/dbraw/zinc/16/82/58/170168258.db2.gz RBKACTIUXQNQFX-OLZOCXBDSA-N 0 3 240.391 2.412 10 0 BEAEHN CCN[C@H]1CCOc2ccc(CCOC)cc21 ZINC000035657664 170168868 /nfs/dbraw/zinc/16/88/68/170168868.db2.gz IZSHEDLANUZETO-ZDUSSCGKSA-N 0 3 235.327 2.309 10 0 BEAEHN CCN[C@H]1CC[S@@](=O)c2c(C)ccc(C)c21 ZINC000040974414 170169034 /nfs/dbraw/zinc/16/90/34/170169034.db2.gz FGXHCGGUUBNRNP-ZBEGNZNMSA-N 0 3 237.368 2.465 10 0 BEAEHN CCNc1ccc(CN2CC[C@H](C)C2)cn1 ZINC000050814675 170173375 /nfs/dbraw/zinc/17/33/75/170173375.db2.gz JHNCCABKCRECMP-NSHDSACASA-N 0 3 219.332 2.355 10 0 BEAEHN CC[C@]1(C)COCCN1C[C@@H]1CCC[C@@H](O)C1 ZINC000660150815 411547321 /nfs/dbraw/zinc/54/73/21/411547321.db2.gz ZWFUVOLGIBNWBI-MGPQQGTHSA-N 0 3 241.375 2.038 10 0 BEAEHN CCOC(=O)CCN1CCC[C@H]1c1ccco1 ZINC000116404673 170205462 /nfs/dbraw/zinc/20/54/62/170205462.db2.gz FFQLBHBEAMGXJS-NSHDSACASA-N 0 3 237.299 2.370 10 0 BEAEHN CCOC(=O)CCNCc1sccc1C ZINC000003028219 170209246 /nfs/dbraw/zinc/20/92/46/170209246.db2.gz UWPKYDZYYVXWMA-UHFFFAOYSA-N 0 3 227.329 2.099 10 0 BEAEHN CCOC(=O)CCNCc1ccc(F)cc1C ZINC000050577810 170209241 /nfs/dbraw/zinc/20/92/41/170209241.db2.gz JOWACEARARQNPU-UHFFFAOYSA-N 0 3 239.290 2.177 10 0 BEAEHN CCOC(=O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000034463618 170234413 /nfs/dbraw/zinc/23/44/13/170234413.db2.gz ULRZIHFFTUGEJT-CQSZACIVSA-N 0 3 247.338 2.462 10 0 BEAEHN CCOC(=O)N[C@@H](CN)c1cc(C)ccc1C ZINC000049669963 170242412 /nfs/dbraw/zinc/24/24/12/170242412.db2.gz YDRNOMGECKCPST-LBPRGKRZSA-N 0 3 236.315 2.049 10 0 BEAEHN CC(C)Oc1ccccc1CNC1CC(CO)C1 ZINC000657808378 411600828 /nfs/dbraw/zinc/60/08/28/411600828.db2.gz HFXKESLFZIOENX-UHFFFAOYSA-N 0 3 249.354 2.334 10 0 BEAEHN OCC1CC(NCc2ccsc2Cl)C1 ZINC000657810310 411602025 /nfs/dbraw/zinc/60/20/25/411602025.db2.gz AHECEBMFTRJURL-UHFFFAOYSA-N 0 3 231.748 2.262 10 0 BEAEHN CCCOc1cccc(CNC2CC(CO)C2)c1 ZINC000657812349 411603513 /nfs/dbraw/zinc/60/35/13/411603513.db2.gz JFPKSDICICVLIQ-UHFFFAOYSA-N 0 3 249.354 2.336 10 0 BEAEHN CC(C)Oc1cccc(CNC2CC(CO)C2)c1 ZINC000657813085 411604010 /nfs/dbraw/zinc/60/40/10/411604010.db2.gz QHACCLYNMOWDKC-UHFFFAOYSA-N 0 3 249.354 2.334 10 0 BEAEHN CCOc1ncc(CNCC(C)C)s1 ZINC000045205450 170603532 /nfs/dbraw/zinc/60/35/32/170603532.db2.gz CLMRPPDVXXBBCO-UHFFFAOYSA-N 0 3 214.334 2.287 10 0 BEAEHN CC[C@@H](C(N)=O)N1CCC(C(C)(C)C)CC1 ZINC000061679483 170674465 /nfs/dbraw/zinc/67/44/65/170674465.db2.gz SLXRYJRVRJWKIY-NSHDSACASA-N 0 3 226.364 2.008 10 0 BEAEHN CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000042867983 170795184 /nfs/dbraw/zinc/79/51/84/170795184.db2.gz WIAJHUUKKRBRNA-XQHKEYJVSA-N 0 3 240.391 2.302 10 0 BEAEHN CC[C@@H](NC)c1nc2c(cccc2F)[nH]1 ZINC000044624019 170888735 /nfs/dbraw/zinc/88/87/35/170888735.db2.gz ZOOYTIQIYQZKSW-MRVPVSSYSA-N 0 3 207.252 2.373 10 0 BEAEHN CC[C@@H]1CO[C@@](C)(c2ccccc2)CN1 ZINC000052099047 171110206 /nfs/dbraw/zinc/11/02/06/171110206.db2.gz DJFYDRBPKADWRW-CHWSQXEVSA-N 0 3 205.301 2.300 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccccc2F)CN1 ZINC000036672738 171110435 /nfs/dbraw/zinc/11/04/35/171110435.db2.gz GMCWPAIWXMTKIU-BXKDBHETSA-N 0 3 209.264 2.265 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccc(OC)c(F)c2)CN1 ZINC000036672954 171111218 /nfs/dbraw/zinc/11/12/18/171111218.db2.gz FYBOWSXTZFWKQQ-ZWNOBZJWSA-N 0 3 239.290 2.274 10 0 BEAEHN CC[C@@H]1CO[C@H](c2nc3ccccc3n2C)CN1 ZINC000036672784 171114863 /nfs/dbraw/zinc/11/48/63/171114863.db2.gz HIRCSYMWWBMASB-MFKMUULPSA-N 0 3 245.326 2.013 10 0 BEAEHN CC[C@@H]1Cc2c(cc(OC)cc2OC)CN1 ZINC000052095303 171144171 /nfs/dbraw/zinc/14/41/71/171144171.db2.gz MOIDGBKOZJPVRP-SNVBAGLBSA-N 0 3 221.300 2.128 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1cccs1 ZINC000229383462 171178594 /nfs/dbraw/zinc/17/85/94/171178594.db2.gz AJZHYOFWHPSZAP-LLVKDONJSA-N 0 3 213.346 2.341 10 0 BEAEHN CC[C@@](NC1CCCC1)(C(N)=O)c1ccccc1 ZINC000037969526 171194446 /nfs/dbraw/zinc/19/44/46/171194446.db2.gz NPHZVYVNTIGOCO-HNNXBMFYSA-N 0 3 246.354 2.309 10 0 BEAEHN CC[C@H](C(N)=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114493880 171244728 /nfs/dbraw/zinc/24/47/28/171244728.db2.gz JFEFKCANIFWZHZ-OCCSQVGLSA-N 0 3 236.359 2.073 10 0 BEAEHN CC[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000097044662 171252567 /nfs/dbraw/zinc/25/25/67/171252567.db2.gz AYMTYFLCEWPTPS-JSGCOSHPSA-N 0 3 248.370 2.452 10 0 BEAEHN CC[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000068223719 171253749 /nfs/dbraw/zinc/25/37/49/171253749.db2.gz HIKUFAZWUUTGFU-NWDGAFQWSA-N 0 3 228.380 2.125 10 0 BEAEHN CC[C@H](C)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000108160618 171317506 /nfs/dbraw/zinc/31/75/06/171317506.db2.gz HUFUYZHEZNBJSM-RYUDHWBXSA-N 0 3 226.364 2.022 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1ccc(C)cc1 ZINC000020036625 171339150 /nfs/dbraw/zinc/33/91/50/171339150.db2.gz GCTAODGDLQQXGK-NSHDSACASA-N 0 3 220.316 2.322 10 0 BEAEHN CC[C@H](C)N[C@H](C(N)=O)c1cc(C)ccc1C ZINC000049670760 171348049 /nfs/dbraw/zinc/34/80/49/171348049.db2.gz MANBTZYKHVEIAL-AAEUAGOBSA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@H](C)OC[C@@H](N)c1ccc2c(c1)OCO2 ZINC000048264256 171355429 /nfs/dbraw/zinc/35/54/29/171355429.db2.gz LISBLIMBYBQLRX-GXSJLCMTSA-N 0 3 237.299 2.230 10 0 BEAEHN CC[C@H](C)OC[C@H](N)c1ccc2c(c1)OCO2 ZINC000048264252 171355568 /nfs/dbraw/zinc/35/55/68/171355568.db2.gz LISBLIMBYBQLRX-ONGXEEELSA-N 0 3 237.299 2.230 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(C)n1 ZINC000129470025 171372339 /nfs/dbraw/zinc/37/23/39/171372339.db2.gz CSHZFHRZPSMFRY-JOYOIKCWSA-N 0 3 235.331 2.010 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nc2cccnc2[nH]1 ZINC000044264095 171372676 /nfs/dbraw/zinc/37/26/76/171372676.db2.gz SSACQHHHIHPHOY-IONNQARKSA-N 0 3 204.277 2.004 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)NCCC1=CCCCC1 ZINC000011959261 171394526 /nfs/dbraw/zinc/39/45/26/171394526.db2.gz LQTCYPOKHFHEEL-AAEUAGOBSA-N 0 3 238.375 2.367 10 0 BEAEHN CCC[C@H](N)C(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000662627229 412247656 /nfs/dbraw/zinc/24/76/56/412247656.db2.gz CQBREQHWQQDIEC-GVXVVHGQSA-N 0 3 240.391 2.302 10 0 BEAEHN CCc1ccc([C@@H]2CNC[C@H](C)O2)cc1 ZINC000032010485 171836551 /nfs/dbraw/zinc/83/65/51/171836551.db2.gz FPPQJKBVAPVARJ-GWCFXTLKSA-N 0 3 205.301 2.298 10 0 BEAEHN CCc1nc([C@@H](N)[C@H]2CCOC2)sc1C ZINC000041060241 172004287 /nfs/dbraw/zinc/00/42/87/172004287.db2.gz OJJJUZPGIMPQRP-WPRPVWTQSA-N 0 3 226.345 2.050 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)CC ZINC000122880199 172014469 /nfs/dbraw/zinc/01/44/69/172014469.db2.gz NNYSYVRAYYCBMC-VHSXEESVSA-N 0 3 222.336 2.064 10 0 BEAEHN CCc1ncc(CN[C@@H](C)[C@@H]2CCCO2)s1 ZINC000037923978 172019647 /nfs/dbraw/zinc/01/96/47/172019647.db2.gz SPOWXRVNTRRUTL-ONGXEEELSA-N 0 3 240.372 2.363 10 0 BEAEHN CCc1ncc(CN[C@H](C)[C@@H]2CCCO2)s1 ZINC000037923979 172020164 /nfs/dbraw/zinc/02/01/64/172020164.db2.gz SPOWXRVNTRRUTL-KOLCDFICSA-N 0 3 240.372 2.363 10 0 BEAEHN CCc1nccn1[C@@H](CN)c1ccc(C)s1 ZINC000043243731 172029205 /nfs/dbraw/zinc/02/92/05/172029205.db2.gz DOUHVXNHXWIIRL-JTQLQIEISA-N 0 3 235.356 2.364 10 0 BEAEHN CCc1nn(Cc2ccccc2)c2c1CNCC2 ZINC000082809471 172045448 /nfs/dbraw/zinc/04/54/48/172045448.db2.gz RYQWNUKGICNPQR-UHFFFAOYSA-N 0 3 241.338 2.140 10 0 BEAEHN CCn1c(C)nnc1[C@@H](N)C1CCCCC1 ZINC000042029836 172141973 /nfs/dbraw/zinc/14/19/73/172141973.db2.gz NRQCUTZHGYCZFU-NSHDSACASA-N 0 3 222.336 2.187 10 0 BEAEHN CCn1cc(-c2ccc(F)c(CN)c2)cn1 ZINC000043462523 172148368 /nfs/dbraw/zinc/14/83/68/172148368.db2.gz NMWMLHSMRCBSBU-UHFFFAOYSA-N 0 3 219.263 2.168 10 0 BEAEHN CCn1cc(CNCCC2=CCCC2)cn1 ZINC000120154037 172170533 /nfs/dbraw/zinc/17/05/33/172170533.db2.gz XOTWTAGQLBIZCZ-UHFFFAOYSA-N 0 3 219.332 2.493 10 0 BEAEHN CCn1cccc1CNC(C)(C)COC ZINC000125340561 172206961 /nfs/dbraw/zinc/20/69/61/172206961.db2.gz QTZGJIMRIQTRHL-UHFFFAOYSA-N 0 3 210.321 2.023 10 0 BEAEHN CN(Cc1ccccn1)C[C@H](N)c1ccccc1 ZINC000036777424 172880132 /nfs/dbraw/zinc/88/01/32/172880132.db2.gz OZNWYQFFSBNPOR-HNNXBMFYSA-N 0 3 241.338 2.213 10 0 BEAEHN CN1CCC(Nc2cccnc2Cl)CC1 ZINC000036982621 172999007 /nfs/dbraw/zinc/99/90/07/172999007.db2.gz CNCQHIVFWMUKJQ-UHFFFAOYSA-N 0 3 225.723 2.241 10 0 BEAEHN CN1CCCC[C@H]1CNc1ccnc(Cl)n1 ZINC000051850214 173009388 /nfs/dbraw/zinc/00/93/88/173009388.db2.gz NPYJVSUXZWEMBS-VIFPVBQESA-N 0 3 240.738 2.026 10 0 BEAEHN CN1CCC[C@@H]1COc1cccc(F)c1 ZINC000026377237 173034530 /nfs/dbraw/zinc/03/45/30/173034530.db2.gz YMSPBBGEZQILFC-LLVKDONJSA-N 0 3 209.264 2.299 10 0 BEAEHN CN1CCC[C@](N)(c2cccc(Cl)c2)C1 ZINC000143130703 173061682 /nfs/dbraw/zinc/06/16/82/173061682.db2.gz QVWXOBCBRGTWEA-GFCCVEGCSA-N 0 3 224.735 2.220 10 0 BEAEHN CN1CC[C@@](O)(c2ccc(C(F)(F)F)cc2)C1 ZINC000061987386 173138828 /nfs/dbraw/zinc/13/88/28/173138828.db2.gz ILXXCJKLHOZPDA-NSHDSACASA-N 0 3 245.244 2.229 10 0 BEAEHN CNC(=O)[C@H](C)Nc1cc(C)nc2ccccc21 ZINC000042571584 173303975 /nfs/dbraw/zinc/30/39/75/173303975.db2.gz XFLQMUKMAPLVSA-JTQLQIEISA-N 0 3 243.310 2.090 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cccc2cccnc21 ZINC000061300070 173319096 /nfs/dbraw/zinc/31/90/96/173319096.db2.gz ACGXNLBPDPTVPJ-UHFFFAOYSA-N 0 3 243.310 2.171 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cccc(F)c1C ZINC000061318973 173319700 /nfs/dbraw/zinc/31/97/00/173319700.db2.gz FWIJVBVOJCFTKM-UHFFFAOYSA-N 0 3 224.279 2.071 10 0 BEAEHN CNCc1c(C)cc(C)nc1OC1CCC1 ZINC000051521861 173384272 /nfs/dbraw/zinc/38/42/72/173384272.db2.gz ZOGGBDAUMULXLH-UHFFFAOYSA-N 0 3 220.316 2.349 10 0 BEAEHN CNCc1cc(N(C)C2CCCC2)ccn1 ZINC000051439120 173387161 /nfs/dbraw/zinc/38/71/61/173387161.db2.gz FAJXUGUYDCLIQC-UHFFFAOYSA-N 0 3 219.332 2.180 10 0 BEAEHN CNCc1cc(F)ccc1N(C)[C@H](C)COC ZINC000042519076 173387567 /nfs/dbraw/zinc/38/75/67/173387567.db2.gz WUFUCWVKCIVFBA-SNVBAGLBSA-N 0 3 240.322 2.016 10 0 BEAEHN CNCc1ccc(OC[C@H]2CC=CC[C@H]2C)nn1 ZINC000051543058 173388680 /nfs/dbraw/zinc/38/86/80/173388680.db2.gz QRHZMADNJPTQCK-VXGBXAGGSA-N 0 3 247.342 2.177 10 0 BEAEHN CNCc1ccccc1OCc1ccccn1 ZINC000034652729 173390579 /nfs/dbraw/zinc/39/05/79/173390579.db2.gz DAJKOJZYSLDLNJ-UHFFFAOYSA-N 0 3 228.295 2.380 10 0 BEAEHN CNCc1cccnc1N(CC(C)C)C1CC1 ZINC000051484428 173391051 /nfs/dbraw/zinc/39/10/51/173391051.db2.gz AVLSNOWUKNJQCR-UHFFFAOYSA-N 0 3 233.359 2.426 10 0 BEAEHN CNCc1cnc(N2Cc3ccccc3C2)s1 ZINC000054905497 173392272 /nfs/dbraw/zinc/39/22/72/173392272.db2.gz SFCRXBWOHRFWHH-UHFFFAOYSA-N 0 3 245.351 2.383 10 0 BEAEHN CNCc1cnc(-c2ccc(F)c(C)c2)nc1 ZINC000054855502 173392375 /nfs/dbraw/zinc/39/23/75/173392375.db2.gz BWBFTQANQKOEMV-UHFFFAOYSA-N 0 3 231.274 2.311 10 0 BEAEHN CNCc1cnc(N2CCC[C@H]2C)c(Cl)c1 ZINC000051398880 173392400 /nfs/dbraw/zinc/39/24/00/173392400.db2.gz YBBNWRQDPZQSCZ-SECBINFHSA-N 0 3 239.750 2.443 10 0 BEAEHN CNCc1cnc(C2CCC(C)CC2)nc1 ZINC000054855589 173392605 /nfs/dbraw/zinc/39/26/05/173392605.db2.gz FGTCBTAMQMJRER-UHFFFAOYSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1nc(-c2c(F)cccc2F)c[nH]1 ZINC000036877229 173397629 /nfs/dbraw/zinc/39/76/29/173397629.db2.gz NGPLYHZNGRKVLW-UHFFFAOYSA-N 0 3 223.226 2.074 10 0 BEAEHN CN[C@@H](C)c1cnc(N(C)C2CC2)s1 ZINC000054902389 173420161 /nfs/dbraw/zinc/42/01/61/173420161.db2.gz LHVLMENFYXMKNY-ZETCQYMHSA-N 0 3 211.334 2.022 10 0 BEAEHN CN[C@@H](CO)c1ccc(C(C)(C)C)cc1 ZINC000038121224 173423714 /nfs/dbraw/zinc/42/37/14/173423714.db2.gz UGHHHSPAKWZOBK-LBPRGKRZSA-N 0 3 207.317 2.237 10 0 BEAEHN CN[C@H](c1cnn(C)c1)C1(c2ccccc2)CC1 ZINC000062781294 173458325 /nfs/dbraw/zinc/45/83/25/173458325.db2.gz BIOAZKNLWDINAR-CQSZACIVSA-N 0 3 241.338 2.412 10 0 BEAEHN COCCCNCc1nc2c(s1)CCCC2 ZINC000049830281 174248016 /nfs/dbraw/zinc/24/80/16/174248016.db2.gz LOHSNPILVXLYAU-UHFFFAOYSA-N 0 3 240.372 2.148 10 0 BEAEHN COCCC[NH2+][C@@H](C)c1ccc([O-])c(F)c1 ZINC000020551076 174249459 /nfs/dbraw/zinc/24/94/59/174249459.db2.gz REISNIDXNUOLDM-VIFPVBQESA-N 0 3 227.279 2.218 10 0 BEAEHN COCCCO[C@H](C)[C@H](N)c1ccc(C)cc1 ZINC000037747094 174255776 /nfs/dbraw/zinc/25/57/76/174255776.db2.gz WMRLSMTXSCDDCV-OCCSQVGLSA-N 0 3 237.343 2.436 10 0 BEAEHN COCCCOc1cc(CN)nc2ccccc21 ZINC000103926690 174256862 /nfs/dbraw/zinc/25/68/62/174256862.db2.gz PHYILCCSUHTWEY-UHFFFAOYSA-N 0 3 246.310 2.109 10 0 BEAEHN COCCN(C[C@@](C)(O)c1ccccc1)C1CC1 ZINC000052097253 174297123 /nfs/dbraw/zinc/29/71/23/174297123.db2.gz BNWZBQHFZXQZJZ-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN COCCN(Cc1ccc(N)c(C)c1)C1CC1 ZINC000042519656 174299379 /nfs/dbraw/zinc/29/93/79/174299379.db2.gz RXLOVFSXHPSPSV-UHFFFAOYSA-N 0 3 234.343 2.188 10 0 BEAEHN COCCN1C[C@@H]2C[C@]2(c2ccc(C)cc2)C1 ZINC000034893563 174318634 /nfs/dbraw/zinc/31/86/34/174318634.db2.gz GJSHPRWWDRKXBZ-LSDHHAIUSA-N 0 3 231.339 2.215 10 0 BEAEHN COCCNCCOc1ccc(Cl)cc1C ZINC000041289569 174333806 /nfs/dbraw/zinc/33/38/06/174333806.db2.gz XVFXRVMPLYSYCH-UHFFFAOYSA-N 0 3 243.734 2.263 10 0 BEAEHN COCCOCc1occc1CNCC(C)C ZINC000052628186 174365003 /nfs/dbraw/zinc/36/50/03/174365003.db2.gz YHCHDBGFCBGPAJ-UHFFFAOYSA-N 0 3 241.331 2.188 10 0 BEAEHN COc1cc(OC)c([C@@H](N)C2CC2)c(OC)c1 ZINC000036960454 175007780 /nfs/dbraw/zinc/00/77/80/175007780.db2.gz ZPQBOWZFPHIXNE-ZDUSSCGKSA-N 0 3 237.299 2.122 10 0 BEAEHN COc1cc(OC)c([C@H](C)N)cc1Cl ZINC000003705374 175007885 /nfs/dbraw/zinc/00/78/85/175007885.db2.gz SRNYHULKSHNBCV-LURJTMIESA-N 0 3 215.680 2.377 10 0 BEAEHN COc1ccc(C)cc1CN1CCC[C@H](O)[C@H]1C ZINC000335362766 175074751 /nfs/dbraw/zinc/07/47/51/175074751.db2.gz ZIPCFEMVAXTCPV-OCCSQVGLSA-N 0 3 249.354 2.349 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)c1cccnc1 ZINC000011832184 175079803 /nfs/dbraw/zinc/07/98/03/175079803.db2.gz BHHPYKFJZCJLBC-AWEZNQCLSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)[C@@H]1CCCO1 ZINC000036822925 175082237 /nfs/dbraw/zinc/08/22/37/175082237.db2.gz AAHVLUMAVNOCJZ-STQMWFEESA-N 0 3 221.300 2.182 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)CSC ZINC000055264797 175082402 /nfs/dbraw/zinc/08/24/02/175082402.db2.gz LIHKXNHEZSYGOQ-SNVBAGLBSA-N 0 3 211.330 2.366 10 0 BEAEHN COc1ccc(C)cc1[C@H]1CN[C@@H](C)CO1 ZINC000036673453 175082414 /nfs/dbraw/zinc/08/24/14/175082414.db2.gz ZPBUEGBBIKKHAP-GXFFZTMASA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)c1ccncc1 ZINC000011832511 175082538 /nfs/dbraw/zinc/08/25/38/175082538.db2.gz NUFNRLSQPNGACK-CQSZACIVSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1ccc(CC[C@@H]2COC[C@H](C)N2)cc1 ZINC000071545520 175093970 /nfs/dbraw/zinc/09/39/70/175093970.db2.gz CHLMCFVSTDKEHN-WCQYABFASA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccc(N[C@@H]2CCN(C)C2)cc1C ZINC000061989629 175154000 /nfs/dbraw/zinc/15/40/00/175154000.db2.gz FQXDUQRZAPUOAF-GFCCVEGCSA-N 0 3 220.316 2.120 10 0 BEAEHN COc1ccc(N[C@@H]2CCN(C)C2)c(C)c1 ZINC000061989934 175154247 /nfs/dbraw/zinc/15/42/47/175154247.db2.gz ZHDQZGPRIVJGQY-LLVKDONJSA-N 0 3 220.316 2.120 10 0 BEAEHN COc1ccc(OC)c(Nc2ccncc2N)c1 ZINC000020585265 175167194 /nfs/dbraw/zinc/16/71/94/175167194.db2.gz BFKWGVQYDNEDST-UHFFFAOYSA-N 0 3 245.282 2.425 10 0 BEAEHN COc1ccc(OC)c([C@H](N)C2CC2)c1 ZINC000003739206 175168595 /nfs/dbraw/zinc/16/85/95/175168595.db2.gz CCDUCJZVHRPZPE-GFCCVEGCSA-N 0 3 207.273 2.114 10 0 BEAEHN COc1ccc(OC)c([C@H](N)c2ccncc2)c1 ZINC000011832485 175168845 /nfs/dbraw/zinc/16/88/45/175168845.db2.gz FZGXDHVVHWGMHP-CQSZACIVSA-N 0 3 244.294 2.147 10 0 BEAEHN COc1ccc([C@@H](CO)NC2CC2)cc1Cl ZINC000071550897 175179169 /nfs/dbraw/zinc/17/91/69/175179169.db2.gz DVZQEGUJJBROTM-LLVKDONJSA-N 0 3 241.718 2.134 10 0 BEAEHN COc1ccc([C@@H]2CNCC(C)(C)O2)cc1 ZINC000011803127 175183603 /nfs/dbraw/zinc/18/36/03/175183603.db2.gz KREFRNFLNQTLSP-LBPRGKRZSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccc([C@@H]2CSCCN2)cc1F ZINC000041248312 175184158 /nfs/dbraw/zinc/18/41/58/175184158.db2.gz QBDSAXAOIMUVSF-JTQLQIEISA-N 0 3 227.304 2.212 10 0 BEAEHN COc1ccc([C@H](CO)NC2CC2)cc1Cl ZINC000071550898 175190696 /nfs/dbraw/zinc/19/06/96/175190696.db2.gz DVZQEGUJJBROTM-NSHDSACASA-N 0 3 241.718 2.134 10 0 BEAEHN COc1ccc([C@H](N)[C@H](C)n2ccnc2)cc1 ZINC000023069219 175191730 /nfs/dbraw/zinc/19/17/30/175191730.db2.gz MNSMZEBWLTZVCR-GXFFZTMASA-N 0 3 231.299 2.153 10 0 BEAEHN COc1ccc([C@H]2CNC(C)(C)CO2)cc1F ZINC000036673123 175195557 /nfs/dbraw/zinc/19/55/57/175195557.db2.gz DXHHVTXUEFGTPR-GFCCVEGCSA-N 0 3 239.290 2.274 10 0 BEAEHN COc1ccc2c(c1)CC[C@@H](n1ccnc1)[C@H]2N ZINC000019264110 175209656 /nfs/dbraw/zinc/20/96/56/175209656.db2.gz ZXNARMDEXQMJAQ-KGLIPLIRSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1cccc(-c2cccc(C(=N)N)n2)c1 ZINC000071186729 175234346 /nfs/dbraw/zinc/23/43/46/175234346.db2.gz CBTRPOJYOWEPDH-UHFFFAOYSA-N 0 3 227.267 2.041 10 0 BEAEHN COc1cccc(CC[C@@H]2COC[C@@H](C)N2)c1 ZINC000071545511 175253430 /nfs/dbraw/zinc/25/34/30/175253430.db2.gz DRQQIIYYXXWLIP-DGCLKSJQSA-N 0 3 235.327 2.005 10 0 BEAEHN COc1cccc(C[C@H](N)c2ccnc(C)n2)c1 ZINC000096986407 175272517 /nfs/dbraw/zinc/27/25/17/175272517.db2.gz JVUGSZUMXSZXEX-ZDUSSCGKSA-N 0 3 243.310 2.036 10 0 BEAEHN COc1cccc(Oc2ncccc2C(=N)N)c1 ZINC000019518591 175284759 /nfs/dbraw/zinc/28/47/59/175284759.db2.gz DYACSIGHHVAFIC-UHFFFAOYSA-N 0 3 243.266 2.167 10 0 BEAEHN COc1cccc([C@@H](C)N2CCN(C)CC2)c1 ZINC000103494626 175286636 /nfs/dbraw/zinc/28/66/36/175286636.db2.gz OKFIOMUWAIXDJS-GFCCVEGCSA-N 0 3 234.343 2.004 10 0 BEAEHN COc1cccc([C@@](C)(N)c2cncc(F)c2)c1 ZINC000049576012 175291656 /nfs/dbraw/zinc/29/16/56/175291656.db2.gz RYWIVRTWVSUMCE-CQSZACIVSA-N 0 3 246.285 2.452 10 0 BEAEHN COc1cccc([C@H](C)N2CCN(C)CC2)c1 ZINC000103494625 175292437 /nfs/dbraw/zinc/29/24/37/175292437.db2.gz OKFIOMUWAIXDJS-LBPRGKRZSA-N 0 3 234.343 2.004 10 0 BEAEHN COc1cccc2c1CC[C@@H](CN(C)C)C2=O ZINC000165881804 175301917 /nfs/dbraw/zinc/30/19/17/175301917.db2.gz LTYHOOSIBPZOEQ-JTQLQIEISA-N 0 3 233.311 2.002 10 0 BEAEHN COc1cccc2c1OC(C)(C)C[C@H]2N ZINC000082377931 175304006 /nfs/dbraw/zinc/30/40/06/175304006.db2.gz RYBMZXJFUOLJOV-SECBINFHSA-N 0 3 207.273 2.256 10 0 BEAEHN COc1cccc2c1OC[C@H]2NC(C)C ZINC000035652572 175305174 /nfs/dbraw/zinc/30/51/74/175305174.db2.gz HYQLFUFOYCMHPF-SNVBAGLBSA-N 0 3 207.273 2.127 10 0 BEAEHN COc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000019482782 175336740 /nfs/dbraw/zinc/33/67/40/175336740.db2.gz JYDKYAKDYNDCPB-ZYHUDNBSSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1ccccc1[C@@H](CN)OCC(F)(F)F ZINC000043098944 175345850 /nfs/dbraw/zinc/34/58/50/175345850.db2.gz BLULTYLPORBGHZ-SNVBAGLBSA-N 0 3 249.232 2.274 10 0 BEAEHN COc1ccccc1[C@@H](CN)N(C)C(C)C ZINC000022223697 175345971 /nfs/dbraw/zinc/34/59/71/175345971.db2.gz RTDCMYLVHJPCBK-GFCCVEGCSA-N 0 3 222.332 2.035 10 0 BEAEHN COc1ccccc1[C@@H](O)CN1CCC[C@@H](C)C1 ZINC000044117525 175347446 /nfs/dbraw/zinc/34/74/46/175347446.db2.gz LEHSPWQFIXTSSW-OCCSQVGLSA-N 0 3 249.354 2.461 10 0 BEAEHN C[C@@H](c1cccc(N)c1)N1CCCOCC1 ZINC000061914064 176017475 /nfs/dbraw/zinc/01/74/75/176017475.db2.gz HOBAVPNXSGULHE-NSHDSACASA-N 0 3 220.316 2.052 10 0 BEAEHN C[C@@H]1CCCCN1c1nc2ccccn2c1CN ZINC000035433901 176074880 /nfs/dbraw/zinc/07/48/80/176074880.db2.gz VTPFIZHPDZVNHV-LLVKDONJSA-N 0 3 244.342 2.172 10 0 BEAEHN C[C@@H]1CCCCN1[C@@H](CN)c1ccco1 ZINC000019258442 176075186 /nfs/dbraw/zinc/07/51/86/176075186.db2.gz UCKUHYFJNRMIHE-MNOVXSKESA-N 0 3 208.305 2.154 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cc(CN)no1 ZINC000052546781 176079048 /nfs/dbraw/zinc/07/90/48/176079048.db2.gz PAPRFCMAHHTBNA-MFKMUULPSA-N 0 3 237.347 2.144 10 0 BEAEHN C[C@@H]1CCCC[C@H]1CNC(=O)[C@](C)(N)C1CC1 ZINC000042868552 176084288 /nfs/dbraw/zinc/08/42/88/176084288.db2.gz CEGPEHGQGLBMFI-UHIISALHSA-N 0 3 238.375 2.056 10 0 BEAEHN C[C@@H]1CCCC[C@H]1Oc1cccc(CN)n1 ZINC000051524764 176090443 /nfs/dbraw/zinc/09/04/43/176090443.db2.gz CPQYWYKPDVWPQP-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCN([C@@H](CN)c2ccccn2)[C@@H]1C ZINC000050563370 176103636 /nfs/dbraw/zinc/10/36/36/176103636.db2.gz RQQXXCADADSYNI-BZPMIXESSA-N 0 3 233.359 2.202 10 0 BEAEHN C[C@@H]1CCCN([C@@H](CN)c2ccco2)C1 ZINC000019260603 176103724 /nfs/dbraw/zinc/10/37/24/176103724.db2.gz JWZRFLWLNUNIKK-MNOVXSKESA-N 0 3 208.305 2.011 10 0 BEAEHN C[C@@H]1CCCN(c2ncc(CN)s2)[C@@H]1C ZINC000054896207 176104129 /nfs/dbraw/zinc/10/41/29/176104129.db2.gz BPCPRHXBCPIKIE-RKDXNWHRSA-N 0 3 225.361 2.227 10 0 BEAEHN C[C@@H]1CCCN1c1cc(CNC2CC2)ccn1 ZINC000051398804 176111845 /nfs/dbraw/zinc/11/18/45/176111845.db2.gz HRZMRQLSYBXPCE-LLVKDONJSA-N 0 3 231.343 2.322 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)NC2CCCCCC2)N1 ZINC000037390421 176112344 /nfs/dbraw/zinc/11/23/44/176112344.db2.gz VXAVNDLLJOGWCD-YPMHNXCESA-N 0 3 238.375 2.356 10 0 BEAEHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2)C1 ZINC000042494810 176119950 /nfs/dbraw/zinc/11/99/50/176119950.db2.gz AJKCBCMNYSOEAS-UPJWGTAASA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N(C)CC(C)(C)C)N1 ZINC000045089368 176134667 /nfs/dbraw/zinc/13/46/67/176134667.db2.gz RCPOBHHSQXJQLY-GHMZBOCLSA-N 0 3 226.364 2.022 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)NC2CCCCCC2)N1 ZINC000037390417 176135560 /nfs/dbraw/zinc/13/55/60/176135560.db2.gz VXAVNDLLJOGWCD-DGCLKSJQSA-N 0 3 238.375 2.356 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)N1 ZINC000019431493 176136755 /nfs/dbraw/zinc/13/67/55/176136755.db2.gz AXBDMGYMFZZUTQ-BXKDBHETSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@@H]1CCC[C@](CO)(Nc2ccncc2)C1 ZINC000053110374 176152133 /nfs/dbraw/zinc/15/21/33/176152133.db2.gz SYVICCFXOABPEZ-YPMHNXCESA-N 0 3 220.316 2.435 10 0 BEAEHN C[C@@H]1CNCCN1c1nsc2ccccc21 ZINC000095069591 176327899 /nfs/dbraw/zinc/32/78/99/176327899.db2.gz DXHYIDKSQVTYLE-SECBINFHSA-N 0 3 233.340 2.094 10 0 BEAEHN C[C@@H]1COC[C@H](CCc2ccccc2F)N1 ZINC000071524994 176346783 /nfs/dbraw/zinc/34/67/83/176346783.db2.gz SJJYQOSMMAKIBA-PWSUYJOCSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@H]1COC[C@@H](CCc2ccccc2F)N1 ZINC000071524996 176347349 /nfs/dbraw/zinc/34/73/49/176347349.db2.gz SJJYQOSMMAKIBA-ZYHUDNBSSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)C)CCN1C ZINC000123943198 176370434 /nfs/dbraw/zinc/37/04/34/176370434.db2.gz VCHGUWOUJUHHKI-NEPJUHHUSA-N 0 3 240.391 2.364 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284215353 176405514 /nfs/dbraw/zinc/40/55/14/176405514.db2.gz CLOVHIIRWIGOPW-KOLCDFICSA-N 0 3 219.332 2.272 10 0 BEAEHN C[C@@H](N[C@@H](C)C(N)=O)c1ccc2ccccc2c1 ZINC000035138724 176913719 /nfs/dbraw/zinc/91/37/19/176913719.db2.gz KYZODSVXKZPITE-MNOVXSKESA-N 0 3 242.322 2.364 10 0 BEAEHN C[C@H]([C@H](N)c1ccccc1)n1cccn1 ZINC000023069474 177030637 /nfs/dbraw/zinc/03/06/37/177030637.db2.gz QXCGMKHNKONLCC-PWSUYJOCSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@H]1CCCN1[C@@H](CN)c1ccc(F)cc1F ZINC000037910296 177111657 /nfs/dbraw/zinc/11/16/57/177111657.db2.gz ULCUJAXFFDEHGY-ZANVPECISA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@H]1[C@H](NC(=O)[C@@H]2CCCCN2)CCC[C@@H]1C ZINC000019413399 177122078 /nfs/dbraw/zinc/12/20/78/177122078.db2.gz ACNUPMPSFVQKQM-LOWDOPEQSA-N 0 3 238.375 2.069 10 0 BEAEHN C[C@H]1CCC[C@H](C)N1Cc1cccnc1N ZINC000052717084 177132695 /nfs/dbraw/zinc/13/26/95/177132695.db2.gz YOFKIBUSDNTFSW-QWRGUYRKSA-N 0 3 219.332 2.427 10 0 BEAEHN C[C@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2)C1 ZINC000042494808 177134399 /nfs/dbraw/zinc/13/43/99/177134399.db2.gz AJKCBCMNYSOEAS-AVGNSLFASA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@H]1CCN(c2ccc(Cl)c(CN)n2)C1 ZINC000051397175 177170769 /nfs/dbraw/zinc/17/07/69/177170769.db2.gz NXAWGVXKRBNFQA-QMMMGPOBSA-N 0 3 225.723 2.040 10 0 BEAEHN C[C@H]1CN(c2ccc(Cl)cc2)N=C1N ZINC000034592822 177276977 /nfs/dbraw/zinc/27/69/77/177276977.db2.gz DKGDVRCBCBXYMF-ZETCQYMHSA-N 0 3 209.680 2.068 10 0 BEAEHN C[C@H]1CN(c2nsc3ccccc32)CCN1 ZINC000095069526 177279414 /nfs/dbraw/zinc/27/94/14/177279414.db2.gz NDERLKDXZKSKEP-VIFPVBQESA-N 0 3 233.340 2.094 10 0 BEAEHN C[C@H]1CNCCN1c1nsc2ccccc21 ZINC000095069592 177284997 /nfs/dbraw/zinc/28/49/97/177284997.db2.gz DXHYIDKSQVTYLE-VIFPVBQESA-N 0 3 233.340 2.094 10 0 BEAEHN C[C@H]1COC[C@H](CCc2cccc(F)c2)N1 ZINC000071525003 177299937 /nfs/dbraw/zinc/29/99/37/177299937.db2.gz YJCLAYFHACVXAX-GWCFXTLKSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@H]1COC[C@H](CCc2ccccc2F)N1 ZINC000071524995 177300452 /nfs/dbraw/zinc/30/04/52/177300452.db2.gz SJJYQOSMMAKIBA-JQWIXIFHSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@H](NC1=N[C@@H](C)CS1)c1ccncc1 ZINC000035694044 177303229 /nfs/dbraw/zinc/30/32/29/177303229.db2.gz ICTQUUFKUWJGBW-DTWKUNHWSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(Cc2ccc(CN)o2)C1 ZINC000052420640 177314747 /nfs/dbraw/zinc/31/47/47/177314747.db2.gz JSSMRNACWYUQKE-PHIMTYICSA-N 0 3 222.332 2.216 10 0 BEAEHN C[C@H]1C[C@@H]1CN(C)[C@@H](CN)c1ccccc1F ZINC000104428401 177342623 /nfs/dbraw/zinc/34/26/23/177342623.db2.gz XLUXKQHBEPTBAB-WDMOLILDSA-N 0 3 236.334 2.413 10 0 BEAEHN C[C@H]1C[C@@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000052287799 177349780 /nfs/dbraw/zinc/34/97/80/177349780.db2.gz UFUQKNCLTVSVDB-KWQFWETISA-N 0 3 238.718 2.277 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cn2cc(Cl)ccc2n1 ZINC000096543937 177349933 /nfs/dbraw/zinc/34/99/33/177349933.db2.gz SIIUOEUBYMJLQG-KWQFWETISA-N 0 3 235.718 2.486 10 0 BEAEHN C[C@H]1C[C@H](C)CN(Cc2csc(CN)n2)C1 ZINC000052420734 177359185 /nfs/dbraw/zinc/35/91/85/177359185.db2.gz CJMICXHDRQAMEA-UWVGGRQHSA-N 0 3 239.388 2.080 10 0 BEAEHN C[C@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000280931733 177363147 /nfs/dbraw/zinc/36/31/47/177363147.db2.gz DXGGQYBLTRSNFY-RNJOBUHISA-N 0 3 249.358 2.331 10 0 BEAEHN C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)C)CCN1C ZINC000123942966 177363867 /nfs/dbraw/zinc/36/38/67/177363867.db2.gz VCHGUWOUJUHHKI-NWDGAFQWSA-N 0 3 240.391 2.364 10 0 BEAEHN C[C@H]1C[C@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000075958457 177384465 /nfs/dbraw/zinc/38/44/65/177384465.db2.gz YBAZPPUSQPOERJ-GXFFZTMASA-N 0 3 247.342 2.278 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cccc2c1OCCCO2 ZINC000052273116 177385368 /nfs/dbraw/zinc/38/53/68/177385368.db2.gz GKVAQVAGGZXXBM-CMPLNLGQSA-N 0 3 233.311 2.346 10 0 BEAEHN C[C@H]1C[C@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000052287804 177385469 /nfs/dbraw/zinc/38/54/69/177385469.db2.gz UFUQKNCLTVSVDB-GZMMTYOYSA-N 0 3 238.718 2.277 10 0 BEAEHN CO[C@H](CN1C[C@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401569612 225170424 /nfs/dbraw/zinc/17/04/24/225170424.db2.gz DDZQCPAGGSKPIJ-VHDGCEQUSA-N 0 3 249.354 2.077 10 0 BEAEHN COC[C@@H](N[C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000300089265 226365831 /nfs/dbraw/zinc/36/58/31/226365831.db2.gz LSIGJSDCRALXRM-RBSFLKMASA-N 0 3 249.354 2.267 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000054076395 487683167 /nfs/dbraw/zinc/68/31/67/487683167.db2.gz ABADRQMBLOWTKL-DTWKUNHWSA-N 0 3 240.734 2.125 10 0 BEAEHN CC[C@H](NC(=O)[C@@H](C)NC)C1CCCCC1 ZINC000054076995 487684399 /nfs/dbraw/zinc/68/43/99/487684399.db2.gz VSVPGJYPVKQFDW-PWSUYJOCSA-N 0 3 226.364 2.069 10 0 BEAEHN COc1ccc(CN[C@H]2C[C@@H]2C)c(F)c1 ZINC000228597713 487685014 /nfs/dbraw/zinc/68/50/14/487685014.db2.gz RAQCCCVFACIBGL-UFBFGSQYSA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(CN[C@@H]2C[C@H]2C)c(F)c1 ZINC000228597721 487685244 /nfs/dbraw/zinc/68/52/44/487685244.db2.gz RAQCCCVFACIBGL-PRHODGIISA-N 0 3 209.264 2.332 10 0 BEAEHN CCC[C@@H]1C[C@H]1NC(=O)Nc1cccc(CN)c1 ZINC000233302974 487708586 /nfs/dbraw/zinc/70/85/86/487708586.db2.gz ZLRAISBCGPSHIN-DGCLKSJQSA-N 0 3 247.342 2.455 10 0 BEAEHN CC[C@@H](NC(=O)CNC(C)C)c1ccccc1 ZINC000051628614 487763046 /nfs/dbraw/zinc/76/30/46/487763046.db2.gz HUDKFVQUVAANOS-CYBMUJFWSA-N 0 3 234.343 2.252 10 0 BEAEHN CCC[C@H](C(=O)N1CC[C@H](N(C)C)C1)C(C)C ZINC000134601955 323025000 /nfs/dbraw/zinc/02/50/00/323025000.db2.gz GBDIGNIMVXPYHK-STQMWFEESA-N 0 3 240.391 2.221 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C)CC1CCCCC1 ZINC000571297275 323140711 /nfs/dbraw/zinc/14/07/11/323140711.db2.gz IBGQZGGOSIJKLM-GHMZBOCLSA-N 0 3 226.364 2.069 10 0 BEAEHN CCN1CCC[C@H](NCc2ccoc2C)C1 ZINC000321589202 323385305 /nfs/dbraw/zinc/38/53/05/323385305.db2.gz PCVLOXUOGPSQOC-ZDUSSCGKSA-N 0 3 222.332 2.162 10 0 BEAEHN CC[C@H](NCc1ccc(C)nn1)C(C)C ZINC000396690371 323652459 /nfs/dbraw/zinc/65/24/59/323652459.db2.gz BWRCCAQQSLMPIU-LBPRGKRZSA-N 0 3 207.321 2.309 10 0 BEAEHN Cn1cc([C@@H]2NCC23CCC(F)(F)CC3)cn1 ZINC000536960006 323972714 /nfs/dbraw/zinc/97/27/14/323972714.db2.gz NJKJHEFABOPPFA-JTQLQIEISA-N 0 3 241.285 2.260 10 0 BEAEHN CC(C)Cc1ncc(CNCC[C@@H](C)O)s1 ZINC000125060178 324630683 /nfs/dbraw/zinc/63/06/83/324630683.db2.gz KKVQVLYQHAMVJR-SNVBAGLBSA-N 0 3 242.388 2.202 10 0 BEAEHN CCCn1cc(CNCCCSC)cn1 ZINC000130296015 325035836 /nfs/dbraw/zinc/03/58/36/325035836.db2.gz GEXNLHDNBVHWOX-UHFFFAOYSA-N 0 3 227.377 2.136 10 0 BEAEHN CC(C)[C@H]1CCCC[C@H]1NC(=O)CNC1CC1 ZINC000132141874 325201188 /nfs/dbraw/zinc/20/11/88/325201188.db2.gz YSAAMISNZSUTSY-CHWSQXEVSA-N 0 3 238.375 2.069 10 0 BEAEHN CCC[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)C(C)C ZINC000134602027 325367039 /nfs/dbraw/zinc/36/70/39/325367039.db2.gz GBDIGNIMVXPYHK-CHWSQXEVSA-N 0 3 240.391 2.221 10 0 BEAEHN COc1ccc(C)cc1[C@H](C)NCC1CC(O)C1 ZINC000091416063 325686551 /nfs/dbraw/zinc/68/65/51/325686551.db2.gz HLERRNUJXIZNIJ-HIFPTAJRSA-N 0 3 249.354 2.425 10 0 BEAEHN COc1ccc(C)cc1[C@@H](C)NCC1CC(O)C1 ZINC000091416062 325686558 /nfs/dbraw/zinc/68/65/58/325686558.db2.gz HLERRNUJXIZNIJ-PNESKVBLSA-N 0 3 249.354 2.425 10 0 BEAEHN C[C@H](NCC1CC(O)C1)c1ccc(F)cc1F ZINC000091524751 325687320 /nfs/dbraw/zinc/68/73/20/325687320.db2.gz YZDCLFXIGNZUSV-SILCLGDVSA-N 0 3 241.281 2.386 10 0 BEAEHN CN(Cc1ccccn1)C[C@@H]1CCC[C@H](O)C1 ZINC000310463903 488029003 /nfs/dbraw/zinc/02/90/03/488029003.db2.gz YTMUTYRLVPSWKC-OCCSQVGLSA-N 0 3 234.343 2.065 10 0 BEAEHN NCc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000667727186 488102724 /nfs/dbraw/zinc/10/27/24/488102724.db2.gz YSPDCRIXOLWVOK-WCQYABFASA-N 0 3 245.326 2.162 10 0 BEAEHN CC(C)[C@H](NC(=O)[C@@]1(C)CCCCN1)C1CC1 ZINC000324195398 487553696 /nfs/dbraw/zinc/55/36/96/487553696.db2.gz XIMACSCRYXTBRY-GXTWGEPZSA-N 0 3 238.375 2.069 10 0 BEAEHN CCC[C@@H](N)C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000304390485 487498916 /nfs/dbraw/zinc/49/89/16/487498916.db2.gz SWZGZCHUFNCDQV-SDDRHHMPSA-N 0 3 226.364 2.151 10 0 BEAEHN Cc1nnc(NCc2ccc3c(c2)CNC3)s1 ZINC000097829726 487703857 /nfs/dbraw/zinc/70/38/57/487703857.db2.gz DBPVJMFCCYPXAX-UHFFFAOYSA-N 0 3 246.339 2.062 10 0 BEAEHN CC(C)CCN(C[C@@H](O)C(F)(F)F)C1CC1 ZINC000109706769 488146910 /nfs/dbraw/zinc/14/69/10/488146910.db2.gz YDRLBKADGJWCOS-SNVBAGLBSA-N 0 3 239.281 2.420 10 0 BEAEHN CC(C)[C@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000124117013 490294896 /nfs/dbraw/zinc/29/48/96/490294896.db2.gz KDUILIOUMLSKPA-NSHDSACASA-N 0 3 246.354 2.107 10 0 BEAEHN CC[C@H]1CCCN(Cc2cncnc2)CC1 ZINC000128826257 490591782 /nfs/dbraw/zinc/59/17/82/490591782.db2.gz VCRJRCPKVKHCHO-LBPRGKRZSA-N 0 3 219.332 2.489 10 0 BEAEHN c1ncc(CN[C@@H]2CCOC3(CCCC3)C2)cn1 ZINC000136686090 491063872 /nfs/dbraw/zinc/06/38/72/491063872.db2.gz NGJOMRQFXKZMJQ-CYBMUJFWSA-N 0 3 247.342 2.058 10 0 BEAEHN CC(C)[C@H](C)N1CCN2CCCC[C@@H]2C1 ZINC000086929295 491065219 /nfs/dbraw/zinc/06/52/19/491065219.db2.gz DOENEUMWYMJDBD-QWHCGFSZSA-N 0 3 210.365 2.201 10 0 BEAEHN C[C@@H]1C[C@H]1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052554813 491069574 /nfs/dbraw/zinc/06/95/74/491069574.db2.gz INLSVMPZQMNKLL-BNOWGMLFSA-N 0 3 246.354 2.062 10 0 BEAEHN CCC(CC)N(CCOC)Cc1cncnc1 ZINC000124229404 491126078 /nfs/dbraw/zinc/12/60/78/491126078.db2.gz GBJLEPSWJZOQHN-UHFFFAOYSA-N 0 3 237.347 2.114 10 0 BEAEHN CC1(C)CNC2(CCC2)OC12CCOCC2 ZINC000757138637 582518719 /nfs/dbraw/zinc/51/87/19/582518719.db2.gz CUIPJXWFURUJOV-UHFFFAOYSA-N 0 3 225.332 2.062 10 0 BEAEHN CC1(C)CN[C@]2(CCSC2)OC1(C)C ZINC000757140024 582520581 /nfs/dbraw/zinc/52/05/81/582520581.db2.gz IFQNFBWFSQCLAA-LLVKDONJSA-N 0 3 215.362 2.244 10 0 BEAEHN CCC1(CC)CCN[C@@]2(CCSC2)O1 ZINC000757145844 582528468 /nfs/dbraw/zinc/52/84/68/582528468.db2.gz PMCRQCQQCOFNTI-NSHDSACASA-N 0 3 215.362 2.388 10 0 BEAEHN CC(C)[C@@H]1O[C@@]2(CCSC2)NCC12CC2 ZINC000757145137 582528284 /nfs/dbraw/zinc/52/82/84/582528284.db2.gz OGJNRJRFXRVFDV-CMPLNLGQSA-N 0 3 227.373 2.244 10 0 BEAEHN CC[C@@H]([NH3+])c1ccc([O-])c2ccncc21 ZINC000757146827 582530166 /nfs/dbraw/zinc/53/01/66/582530166.db2.gz VPZSUCUYFRIASU-LLVKDONJSA-N 0 3 202.257 2.350 10 0 BEAEHN CC[C@@H]1N[C@H](Cc2ccccc2)CCO1 ZINC000757150197 582534198 /nfs/dbraw/zinc/53/41/98/582534198.db2.gz PFTNOMORYAEGSR-QWHCGFSZSA-N 0 3 205.301 2.344 10 0 BEAEHN CC(C)[C@@H]1O[C@@]2(CCCOC2)NCC1(C)C ZINC000757152617 582537286 /nfs/dbraw/zinc/53/72/86/582537286.db2.gz SYCLMLJFRRCWFL-WCQYABFASA-N 0 3 227.348 2.164 10 0 BEAEHN CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000183357898 536182381 /nfs/dbraw/zinc/18/23/81/536182381.db2.gz UIINTTCHSHNEAN-YNEHKIRRSA-N 0 3 240.391 2.269 10 0 BEAEHN CCc1c(C)[nH]c(NCCC(C)C)nc1=NN ZINC000057331716 523710590 /nfs/dbraw/zinc/71/05/90/523710590.db2.gz DRGIZVPZHIYHBS-UHFFFAOYSA-N 0 3 237.351 2.091 10 0 BEAEHN Cc1[nH]c(Nc2cccc(F)c2)nc(=NN)c1C ZINC000057331415 527004506 /nfs/dbraw/zinc/00/45/06/527004506.db2.gz ZCTZMESRSOYQBO-UHFFFAOYSA-N 0 3 247.277 2.262 10 0 BEAEHN Cc1nc(Nc2cccc(F)c2)nc(NN)c1C ZINC000057331415 527004510 /nfs/dbraw/zinc/00/45/10/527004510.db2.gz ZCTZMESRSOYQBO-UHFFFAOYSA-N 0 3 247.277 2.262 10 0 BEAEHN COC[C@@H](C)N1CCC[C@@H]1c1ccco1 ZINC000173414399 536522789 /nfs/dbraw/zinc/52/27/89/536522789.db2.gz WRVMWWPXRBFTES-GHMZBOCLSA-N 0 3 209.289 2.451 10 0 BEAEHN CC[C@H](C)[C@@H](C)NCc1nnc(C)n1CC ZINC000183037682 529207205 /nfs/dbraw/zinc/20/72/05/529207205.db2.gz JCSIIQNCRJHGMY-VHSXEESVSA-N 0 3 224.352 2.131 10 0 BEAEHN CCCN1CCN(c2ccc([C@@H](C)O)cc2)CC1 ZINC000035631434 534932705 /nfs/dbraw/zinc/93/27/05/534932705.db2.gz BZKAYVVJRYIRGU-CYBMUJFWSA-N 0 3 248.370 2.272 10 0 BEAEHN CC(C)CN1CCN(c2cccc(N)c2)CC1 ZINC000020265181 535105114 /nfs/dbraw/zinc/10/51/14/535105114.db2.gz IMAVPMLWRHFBRH-UHFFFAOYSA-N 0 3 233.359 2.047 10 0 BEAEHN CCNCc1cccc(N2CCCCC2)n1 ZINC000051435981 535479034 /nfs/dbraw/zinc/47/90/34/535479034.db2.gz DNMMJROIJFJUGG-UHFFFAOYSA-N 0 3 219.332 2.181 10 0 BEAEHN CCN[C@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962931 535516623 /nfs/dbraw/zinc/51/66/23/535516623.db2.gz YZRSVNSURHIRAF-LLVKDONJSA-N 0 3 248.374 2.446 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCC(C)C ZINC000177027409 535583865 /nfs/dbraw/zinc/58/38/65/535583865.db2.gz CLLCTXQIFPUUAO-ZDUSSCGKSA-N 0 3 240.391 2.365 10 0 BEAEHN COC[C@@H](C)[C@@H]1NCCc2sccc21 ZINC000307014145 566277511 /nfs/dbraw/zinc/27/75/11/566277511.db2.gz OSJBAQXJMBWONK-KCJUWKMLSA-N 0 3 211.330 2.217 10 0 BEAEHN CC(C)n1nccc1CNCC[C@@H]1CCCO1 ZINC000394631406 583003581 /nfs/dbraw/zinc/00/35/81/583003581.db2.gz ZGKPIADWONNWDJ-ZDUSSCGKSA-N 0 3 237.347 2.123 10 0 BEAEHN C[C@@H]1C[C@@]2(CCN1C)NCCc1sccc12 ZINC000397268335 583099395 /nfs/dbraw/zinc/09/93/95/583099395.db2.gz CFHKSBXMPGRABL-ZWNOBZJWSA-N 0 3 236.384 2.203 10 0 BEAEHN CC(C)[C@H]1CCC[C@]2(C1)NCC1(COC1)CO2 ZINC000757138568 582518193 /nfs/dbraw/zinc/51/81/93/582518193.db2.gz CJONKLPZFGXVRM-JSGCOSHPSA-N 0 3 239.359 2.165 10 0 BEAEHN C1CC2(C1)CN[C@]1(CCCOC1)OC21CCC1 ZINC000757144826 582525904 /nfs/dbraw/zinc/52/59/04/582525904.db2.gz NVUGVRYWCDYTFG-CQSZACIVSA-N 0 3 237.343 2.206 10 0 BEAEHN CCC[C@@H]1CCNC2(CCSCC2)O1 ZINC000757146721 582530612 /nfs/dbraw/zinc/53/06/12/582530612.db2.gz LCIINYRSSFWPIP-SNVBAGLBSA-N 0 3 215.362 2.388 10 0 BEAEHN CCC[C@@H]1CCN[C@]2(CCCSC2)O1 ZINC000757147647 582531349 /nfs/dbraw/zinc/53/13/49/582531349.db2.gz MNMKKRLHHCODJY-GHMZBOCLSA-N 0 3 215.362 2.388 10 0 BEAEHN c1ccc(C[C@H]2CCO[C@]3(CCCOC3)N2)cc1 ZINC000757148518 582533067 /nfs/dbraw/zinc/53/30/67/582533067.db2.gz NNRZFUYPKRJPFL-CABCVRRESA-N 0 3 247.338 2.114 10 0 BEAEHN CC1(C)CNC2(CCC2)O[C@]12CCCOC2 ZINC000757150079 582534074 /nfs/dbraw/zinc/53/40/74/582534074.db2.gz WTEFDWKRXGJAQW-LBPRGKRZSA-N 0 3 225.332 2.062 10 0 BEAEHN COC[C@H]1CCOC2(CCCCCCC2)N1 ZINC000757153808 582538937 /nfs/dbraw/zinc/53/89/37/582538937.db2.gz YYJQWPPEIXVBCB-GFCCVEGCSA-N 0 3 227.348 2.452 10 0 BEAEHN C[C@@H]1CC(C)(C)O[C@@]2(COC(C)(C)C2)N1 ZINC000757154268 582539232 /nfs/dbraw/zinc/53/92/32/582539232.db2.gz ZQIVZGSPZXDTCQ-SKDRFNHKSA-N 0 3 213.321 2.059 10 0 BEAEHN CC(C)CCC[C@H]1NCCc2nc[nH]c21 ZINC000220260600 582694805 /nfs/dbraw/zinc/69/48/05/582694805.db2.gz KYVPLLNQSBIWKE-SNVBAGLBSA-N 0 3 207.321 2.423 10 0 BEAEHN CC(C)N1CC[C@]2(C1)NCCc1sccc12 ZINC000397155378 583097906 /nfs/dbraw/zinc/09/79/06/583097906.db2.gz NKDANTHISUWJSX-CYBMUJFWSA-N 0 3 236.384 2.203 10 0 BEAEHN Cc1ccc([C@@H](C)NCCC2OCCO2)o1 ZINC000126865062 583356342 /nfs/dbraw/zinc/35/63/42/583356342.db2.gz LDXMJWWSAFFJOD-SNVBAGLBSA-N 0 3 225.288 2.002 10 0 BEAEHN CCC(CC)c1cc2nccc(CN)n2n1 ZINC000232870819 585032953 /nfs/dbraw/zinc/03/29/53/585032953.db2.gz GDVPMHMQAWIBIH-UHFFFAOYSA-N 0 3 218.304 2.092 10 0 BEAEHN CC[C@H]1N[C@@H](c2ccc(OC)cc2)CCO1 ZINC000757139637 586427410 /nfs/dbraw/zinc/42/74/10/586427410.db2.gz HNTRMKYIJCEMHB-OLZOCXBDSA-N 0 3 221.300 2.482 10 0 BEAEHN CC[C@H]1N[C@H](c2ccc(OC)cc2)CCO1 ZINC000757139640 586427766 /nfs/dbraw/zinc/42/77/66/586427766.db2.gz HNTRMKYIJCEMHB-STQMWFEESA-N 0 3 221.300 2.482 10 0 BEAEHN CCOc1cc(F)ccc1-c1ccc(CN)nn1 ZINC000757572685 586463067 /nfs/dbraw/zinc/46/30/67/586463067.db2.gz SSELLDAYSRMZCS-UHFFFAOYSA-N 0 3 247.273 2.140 10 0 BEAEHN C[C@H]1CN(CC2(O)CCCCC2)CC(C)(C)O1 ZINC000106383870 588269505 /nfs/dbraw/zinc/26/95/05/588269505.db2.gz JODNHWGHBMXKRX-LBPRGKRZSA-N 0 3 241.375 2.181 10 0 BEAEHN CCN1CCN(CCC(=O)C(C)(C)C)C[C@@H]1C ZINC000110743768 588693034 /nfs/dbraw/zinc/69/30/34/588693034.db2.gz IOICTIMGWSROQM-LBPRGKRZSA-N 0 3 240.391 2.018 10 0 BEAEHN CC1(C)Cc2cc(CNC3(CO)CC3)ccc2O1 ZINC000120387772 589409101 /nfs/dbraw/zinc/40/91/01/589409101.db2.gz VWDKWOAZPNCHPR-UHFFFAOYSA-N 0 3 247.338 2.015 10 0 BEAEHN Cc1cc(CNC[C@@H]2CCC[C@@H]2O)c(C)o1 ZINC000121059594 589492264 /nfs/dbraw/zinc/49/22/64/589492264.db2.gz XKTKPJNTZCVYIC-AAEUAGOBSA-N 0 3 223.316 2.147 10 0 BEAEHN COCCC1(CNCc2ccoc2)CC1 ZINC000124597888 590061333 /nfs/dbraw/zinc/06/13/33/590061333.db2.gz QMKMVJUBCOMIGN-UHFFFAOYSA-N 0 3 209.289 2.186 10 0 BEAEHN CC[C@@H](C)NC(=O)[C@H](C)NCCc1ccccc1 ZINC000020364214 590104535 /nfs/dbraw/zinc/10/45/35/590104535.db2.gz MMCKBFXELFGFLY-OLZOCXBDSA-N 0 3 248.370 2.122 10 0 BEAEHN CSCC[C@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000125025529 590114395 /nfs/dbraw/zinc/11/43/95/590114395.db2.gz IBSZBOWCZXYWSJ-VIFPVBQESA-N 0 3 240.372 2.327 10 0 BEAEHN CC(C)[C@@H](O)C(C)(C)CNCc1ccoc1 ZINC000126103283 590230673 /nfs/dbraw/zinc/23/06/73/590230673.db2.gz QYJLFGCTMIHODQ-GFCCVEGCSA-N 0 3 225.332 2.412 10 0 BEAEHN Cc1ccc([C@H](C)NCCC2OCCO2)o1 ZINC000126865326 590476982 /nfs/dbraw/zinc/47/69/82/590476982.db2.gz LDXMJWWSAFFJOD-JTQLQIEISA-N 0 3 225.288 2.002 10 0 BEAEHN CC(C)CN(CC(C)C)CN1CCOC1=S ZINC000127468443 590678082 /nfs/dbraw/zinc/67/80/82/590678082.db2.gz GLHNQXMSEGPPQI-UHFFFAOYSA-N 0 3 244.404 2.175 10 0 BEAEHN CCSCCN1CCC[C@H](C(C)=O)C1 ZINC000129173618 591267035 /nfs/dbraw/zinc/26/70/35/591267035.db2.gz YHIPZSMDNLVPNB-NSHDSACASA-N 0 3 215.362 2.041 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]CCC2CCC2)n1 ZINC000130348801 591459215 /nfs/dbraw/zinc/45/92/15/591459215.db2.gz PTIZSTBUMWKJDC-UHFFFAOYSA-N 0 3 220.316 2.375 10 0 BEAEHN CCCc1noc(-c2ccc3c(c2)CNC3)n1 ZINC000131234191 591574225 /nfs/dbraw/zinc/57/42/25/591574225.db2.gz COKBBAZUHKEAMG-UHFFFAOYSA-N 0 3 229.283 2.292 10 0 BEAEHN CC(C)COCCN[C@H](C)c1cncs1 ZINC000132895236 591747195 /nfs/dbraw/zinc/74/71/95/591747195.db2.gz CNKGFNGLEODUSC-SNVBAGLBSA-N 0 3 228.361 2.466 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[S@](C)=O)c(C)c1 ZINC000133837772 591861983 /nfs/dbraw/zinc/86/19/83/591861983.db2.gz GLWDOPSPEUQHLO-MLGOLLRUSA-N 0 3 239.384 2.333 10 0 BEAEHN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccoc1 ZINC000134287949 591911313 /nfs/dbraw/zinc/91/13/13/591911313.db2.gz MCHQRKQZYZKXDV-LBPRGKRZSA-N 0 3 244.294 2.135 10 0 BEAEHN O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccoc1 ZINC000134287930 591911429 /nfs/dbraw/zinc/91/14/29/591911429.db2.gz MCHQRKQZYZKXDV-GFCCVEGCSA-N 0 3 244.294 2.135 10 0 BEAEHN c1cc(CNCC[C@H]2CCCCO2)co1 ZINC000134671154 591946105 /nfs/dbraw/zinc/94/61/05/591946105.db2.gz OQHBCBSSMGBASE-GFCCVEGCSA-N 0 3 209.289 2.328 10 0 BEAEHN Cc1cc(NCC(C)(C)C(C)C)nc(N)n1 ZINC000218913234 592192226 /nfs/dbraw/zinc/19/22/26/592192226.db2.gz ORMUWFAMBNAALU-UHFFFAOYSA-N 0 3 222.336 2.461 10 0 BEAEHN O[C@]12CCCC[C@H]1CN(Cc1ccoc1)CC2 ZINC000219823502 592250915 /nfs/dbraw/zinc/25/09/15/592250915.db2.gz RNZQDLXWLBFAHO-KBPBESRZSA-N 0 3 235.327 2.407 10 0 BEAEHN O[C@@]12CCCC[C@H]1CN(Cc1ccoc1)CC2 ZINC000219823462 592250954 /nfs/dbraw/zinc/25/09/54/592250954.db2.gz RNZQDLXWLBFAHO-UONOGXRCSA-N 0 3 235.327 2.407 10 0 BEAEHN CC1(C)COC[C@@H]1N[C@@H]1COc2ccccc21 ZINC000313020103 634438909 /nfs/dbraw/zinc/43/89/09/634438909.db2.gz ZZUSAORJZNNUNC-YPMHNXCESA-N 0 3 233.311 2.135 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCc2c(C)cccc2C1 ZINC000178115026 632946155 /nfs/dbraw/zinc/94/61/55/632946155.db2.gz DWFXFJMQJOLGKC-CQSZACIVSA-N 0 3 246.354 2.007 10 0 BEAEHN Cc1cc(N(C)Cc2ccccc2C)nc(N)n1 ZINC000043532589 638517289 /nfs/dbraw/zinc/51/72/89/638517289.db2.gz NZPRKKIUJSPEDN-UHFFFAOYSA-N 0 3 242.326 2.312 10 0 BEAEHN Cc1cc(N[C@H]2CCCC[C@H]2C)nc(N)n1 ZINC000043532293 638525595 /nfs/dbraw/zinc/52/55/95/638525595.db2.gz HDYAUZPFJDOXNF-SCZZXKLOSA-N 0 3 220.320 2.358 10 0 BEAEHN COc1ccc([C@H](C)N[C@H](C)[C@H](C)O)c(F)c1 ZINC000348310556 638998140 /nfs/dbraw/zinc/99/81/40/638998140.db2.gz CGSVYWCEVLVNOJ-UTLUCORTSA-N 0 3 241.306 2.254 10 0 BEAEHN CC[C@H](NC)c1nc(-c2cccs2)nn1C ZINC000054699883 640321612 /nfs/dbraw/zinc/32/16/12/640321612.db2.gz ZGJAERDGYKESCJ-QMMMGPOBSA-N 0 3 236.344 2.214 10 0 BEAEHN Cc1cccc(CNc2cc(C)nc(N)n2)c1 ZINC000045726047 640654352 /nfs/dbraw/zinc/65/43/52/640654352.db2.gz OGIWSFOOWRCIPU-UHFFFAOYSA-N 0 3 228.299 2.288 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1nc(C(C)(C)C)nn1C ZINC000054698696 640710697 /nfs/dbraw/zinc/71/06/97/640710697.db2.gz ABDNFRBMZPXXPK-BDAKNGLRSA-N 0 3 224.352 2.159 10 0 BEAEHN Cc1noc(C)c1[C@@H](C)N[C@H]1CCCN(C)C1 ZINC000134290191 711498356 /nfs/dbraw/zinc/49/83/56/711498356.db2.gz IYTZMLJZRSCLNN-SKDRFNHKSA-N 0 3 237.347 2.036 10 0 BEAEHN CCCCN=[S@](=O)(NC)c1ccc(N)cc1 ZINC000675074204 641324437 /nfs/dbraw/zinc/32/44/37/641324437.db2.gz DJPHQLBIFKHZDK-MRXNPFEDSA-N 0 3 241.360 2.030 10 0 BEAEHN CCCCN=[S@@](=O)(NC)c1ccc(N)cc1 ZINC000675074203 641324538 /nfs/dbraw/zinc/32/45/38/641324538.db2.gz DJPHQLBIFKHZDK-INIZCTEOSA-N 0 3 241.360 2.030 10 0 BEAEHN c1cc2c(s1)[C@H](c1cccnc1)NCC2 ZINC000084483333 641358901 /nfs/dbraw/zinc/35/89/01/641358901.db2.gz BHMPREZFTBOBBR-NSHDSACASA-N 0 3 216.309 2.378 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000049185475 641712430 /nfs/dbraw/zinc/71/24/30/641712430.db2.gz DBPUTHNUUAAJSS-NXEZZACHSA-N 0 3 240.372 2.361 10 0 BEAEHN C[C@H](NC[C@@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299267 643125651 /nfs/dbraw/zinc/12/56/51/643125651.db2.gz AYHNTYZMJCVURB-ISVAXAHUSA-N 0 3 241.281 2.386 10 0 BEAEHN CO[C@H]1CCC[C@@H]1NCc1cccc2c1OCO2 ZINC000049948617 643563630 /nfs/dbraw/zinc/56/36/30/643563630.db2.gz VRIDZBMQGBWIGH-RYUDHWBXSA-N 0 3 249.310 2.072 10 0 BEAEHN CO[C@H]1CCC[C@H]1NCc1ccccc1F ZINC000049948759 643564480 /nfs/dbraw/zinc/56/44/80/643564480.db2.gz WKHBOKZVTYQEMC-OLZOCXBDSA-N 0 3 223.291 2.483 10 0 BEAEHN Cc1cc(N[C@@H]2CCC[C@H](C)C2)nc(N)n1 ZINC000046484553 643573890 /nfs/dbraw/zinc/57/38/90/643573890.db2.gz LMQNDUWWLHXYCW-WCBMZHEXSA-N 0 3 220.320 2.358 10 0 BEAEHN CCCc1noc([C@@H]2CNCc3ccccc32)n1 ZINC000087611710 644499121 /nfs/dbraw/zinc/49/91/21/644499121.db2.gz KCXAKZHDVGKKBP-GFCCVEGCSA-N 0 3 243.310 2.257 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@H](C)Cc2ccco2)n1 ZINC000112716497 645512748 /nfs/dbraw/zinc/51/27/48/645512748.db2.gz SGWQWWSBLJRCSO-LLVKDONJSA-N 0 3 246.310 2.409 10 0 BEAEHN C[C@]1(O)CCCN(CCSC(F)(F)F)C1 ZINC000123715048 645920724 /nfs/dbraw/zinc/92/07/24/645920724.db2.gz YCYYJOGQQHPOIQ-QMMMGPOBSA-N 0 3 243.294 2.086 10 0 BEAEHN COCC1CC(NCc2nc(C)c(C)s2)C1 ZINC000713982969 712476052 /nfs/dbraw/zinc/47/60/52/712476052.db2.gz MAKUISVXICZIAA-UHFFFAOYSA-N 0 3 240.372 2.275 10 0 BEAEHN COCC1CC(NCc2ccc(Cl)o2)C1 ZINC000714005490 712477158 /nfs/dbraw/zinc/47/71/58/712477158.db2.gz CGYFHMCHFMYADW-UHFFFAOYSA-N 0 3 229.707 2.448 10 0 BEAEHN CCCC[C@@H](C)N[C@H](C)c1cn(C)nn1 ZINC000715841219 712532893 /nfs/dbraw/zinc/53/28/93/712532893.db2.gz HVSUKOPBLYORNP-NXEZZACHSA-N 0 3 210.325 2.044 10 0 BEAEHN CC[C@@H](N[C@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876957 712538375 /nfs/dbraw/zinc/53/83/75/712538375.db2.gz JBWUSDJZVOKVRG-MWLCHTKSSA-N 0 3 222.336 2.044 10 0 BEAEHN CN(C[C@H](O)c1ccccc1Cl)C1CC1 ZINC000047914910 711489778 /nfs/dbraw/zinc/48/97/78/711489778.db2.gz CRGQFTRSTUEGOL-LBPRGKRZSA-N 0 3 225.719 2.468 10 0 BEAEHN Cc1cnc(CNC[C@@H]2CCC=CO2)c(C)c1 ZINC000724033392 711557053 /nfs/dbraw/zinc/55/70/53/711557053.db2.gz JGLXPGHIICLONE-ZDUSSCGKSA-N 0 3 232.327 2.481 10 0 BEAEHN Cc1cnc(CNC[C@H](O)C(C)(C)C)c(C)c1 ZINC000724095125 711560388 /nfs/dbraw/zinc/56/03/88/711560388.db2.gz HGFCQITXMVXZLE-ZDUSSCGKSA-N 0 3 236.359 2.195 10 0 BEAEHN C[C@H](NC[C@]12CCC[C@H]1OCC2)c1cn(C)cn1 ZINC000709973567 712236167 /nfs/dbraw/zinc/23/61/67/712236167.db2.gz XLYIFYRHNCTJCW-IACUBPJLSA-N 0 3 249.358 2.030 10 0 BEAEHN C(c1noc([C@H]2CCCN2)n1)C1CCCC1 ZINC000379107357 712369663 /nfs/dbraw/zinc/36/96/63/712369663.db2.gz RXHOCSDBLBKFNM-SNVBAGLBSA-N 0 3 221.304 2.227 10 0 BEAEHN CSC1CC(NCc2cnn(C)c2Cl)C1 ZINC000712465073 712430445 /nfs/dbraw/zinc/43/04/45/712430445.db2.gz ALYODWFSURXKQF-UHFFFAOYSA-N 0 3 245.779 2.057 10 0 BEAEHN CCCCC[C@H](C)NC(=O)[C@H](N)CCC ZINC000036873377 712506595 /nfs/dbraw/zinc/50/65/95/712506595.db2.gz CTTXLIRDCFOXEJ-WDEREUQCSA-N 0 3 214.353 2.199 10 0 BEAEHN C[C@H](CC1CCCC1)N[C@@H](C)c1cn(C)nn1 ZINC000715874234 712537753 /nfs/dbraw/zinc/53/77/53/712537753.db2.gz DWMDEXUOLXPVAD-MNOVXSKESA-N 0 3 236.363 2.435 10 0 BEAEHN C[C@@H](CC1CCCC1)N[C@@H](C)c1cn(C)nn1 ZINC000715874237 712538153 /nfs/dbraw/zinc/53/81/53/712538153.db2.gz DWMDEXUOLXPVAD-QWRGUYRKSA-N 0 3 236.363 2.435 10 0 BEAEHN Cc1coc(CN[C@H](C)[C@@H]2CCCO2)c1 ZINC000718147192 712748730 /nfs/dbraw/zinc/74/87/30/712748730.db2.gz WIJUNRVXLJWZGO-PWSUYJOCSA-N 0 3 209.289 2.245 10 0 BEAEHN CC(C)c1nccnc1N[C@H]1CCN(C)[C@H]1C ZINC000719780527 712824807 /nfs/dbraw/zinc/82/48/07/712824807.db2.gz GVWWHDQUAIYMII-QWRGUYRKSA-N 0 3 234.347 2.105 10 0 BEAEHN CC[C@@H](CN[C@@H](C)c1cn(C)nn1)CC(F)F ZINC000720522811 712849021 /nfs/dbraw/zinc/84/90/21/712849021.db2.gz GPFGGWGYHOQCMJ-DTWKUNHWSA-N 0 3 246.305 2.147 10 0 BEAEHN C[C@H](N[C@H]1CC(C)(C)C[C@H]1C)c1cn(C)nn1 ZINC000720592688 712855697 /nfs/dbraw/zinc/85/56/97/712855697.db2.gz ZSKCJWBRJWMHJN-VWYCJHECSA-N 0 3 236.363 2.290 10 0 BEAEHN Cc1cc(N2CC[C@@H]3CCCC[C@@H]3C2)nc(N)n1 ZINC000035874852 1170906928 /nfs/dbraw/zinc/90/69/28/1170906928.db2.gz GWQPDDXCZYLSGP-NWDGAFQWSA-N 0 3 246.358 2.384 10 0 BEAEHN COC(CN[C@H](C)c1ccc2c(c1)CCC2)OC ZINC000037566661 1170956240 /nfs/dbraw/zinc/95/62/40/1170956240.db2.gz IHDRQNDCMSEICO-LLVKDONJSA-N 0 3 249.354 2.445 10 0 BEAEHN CC(C)=CC(=O)N1CCN(CCC(C)C)CC1 ZINC000048794451 1171648698 /nfs/dbraw/zinc/64/86/98/1171648698.db2.gz NCPOEXNCHWLEGQ-UHFFFAOYSA-N 0 3 238.375 2.143 10 0 BEAEHN C[C@@H](N)c1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685956457 538903010 /nfs/dbraw/zinc/90/30/10/538903010.db2.gz UQCNYMZEGHGIFX-GSVOUGTGSA-N 0 3 228.510 2.256 10 0 BEAEHN C[C@H](N)c1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685956461 538903127 /nfs/dbraw/zinc/90/31/27/538903127.db2.gz UQCNYMZEGHGIFX-VKHMYHEASA-N 0 3 228.510 2.256 10 0 BEAEHN COCC[C@@H](C)C(=O)CCNCc1ccccc1 ZINC000685960569 538907579 /nfs/dbraw/zinc/90/75/79/538907579.db2.gz SBRDFQUDOKBZTK-CYBMUJFWSA-N 0 3 249.354 2.408 10 0 BEAEHN CN[C@H](C)C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962435 538909343 /nfs/dbraw/zinc/90/93/43/538909343.db2.gz IBIXXPRIDCGSQH-CHWSQXEVSA-N 0 3 249.354 2.406 10 0 BEAEHN CN[C@@H](C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962438 538909400 /nfs/dbraw/zinc/90/94/00/538909400.db2.gz IBIXXPRIDCGSQH-STQMWFEESA-N 0 3 249.354 2.406 10 0 BEAEHN C=C(OCC)c1cncc(CNC2CC2)c1 ZINC000685965050 538911414 /nfs/dbraw/zinc/91/14/14/538911414.db2.gz MHQTVTAAOYHECR-UHFFFAOYSA-N 0 3 218.300 2.341 10 0 BEAEHN CN1CCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616611694 349467136 /nfs/dbraw/zinc/46/71/36/349467136.db2.gz UEVKIBRLNQZCJO-LLVKDONJSA-N 0 3 227.311 2.439 10 0 BEAEHN COC(=O)c1ccc([C@@H]2CCCCN2)c(F)c1 ZINC000258312620 349505255 /nfs/dbraw/zinc/50/52/55/349505255.db2.gz SWNBQWFJUIIKAL-LBPRGKRZSA-N 0 3 237.274 2.427 10 0 BEAEHN Cc1cc(CNC2CC2)nc(C(C)(C)C)n1 ZINC000054831840 178018594 /nfs/dbraw/zinc/01/85/94/178018594.db2.gz LUNSOQBCRYUDLZ-UHFFFAOYSA-N 0 3 219.332 2.335 10 0 BEAEHN Cc1cc(CN[C@H]2C[C@@H](O)C2(C)C)cc(C)c1O ZINC000128229164 178041871 /nfs/dbraw/zinc/04/18/71/178041871.db2.gz OEKVOMQNESHVNY-QWHCGFSZSA-N 0 3 249.354 2.258 10 0 BEAEHN Cc1cc([C@@H](O)CN(C)C)cc(C)c1C ZINC000039105613 178238697 /nfs/dbraw/zinc/23/86/97/178238697.db2.gz USEIMAMIUVJLTR-ZDUSSCGKSA-N 0 3 207.317 2.207 10 0 BEAEHN Cc1cc([C@@H]2CNC[C@@H](C)O2)ccc1F ZINC000071511630 178242387 /nfs/dbraw/zinc/24/23/87/178242387.db2.gz BCCVFHCMWPWVCT-SKDRFNHKSA-N 0 3 209.264 2.184 10 0 BEAEHN Cc1cc([C@H](CO)NC(C)C)c(C)s1 ZINC000049688043 178261051 /nfs/dbraw/zinc/26/10/51/178261051.db2.gz XZQCCSGXXIJBOJ-NSHDSACASA-N 0 3 213.346 2.396 10 0 BEAEHN Cc1ccc(-c2ccc(CN)c(=O)[nH]2)cc1C ZINC000043404327 178324276 /nfs/dbraw/zinc/32/42/76/178324276.db2.gz WUQYKOQFWFYTQR-UHFFFAOYSA-N 0 3 228.295 2.117 10 0 BEAEHN Cc1ccc(-c2oncc2CN)cc1C ZINC000071508397 178345024 /nfs/dbraw/zinc/34/50/24/178345024.db2.gz CHKCXNNBRQQHHC-UHFFFAOYSA-N 0 3 202.257 2.417 10 0 BEAEHN CC[C@H](NC[C@H]1CCCN1C)c1nccs1 ZINC000386271746 398264069 /nfs/dbraw/zinc/26/40/69/398264069.db2.gz ZUZNXYYQDJKHEM-MNOVXSKESA-N 0 3 239.388 2.278 10 0 BEAEHN OCCN1CC[C@H](c2nccc3ccccc32)C1 ZINC000616613009 349601346 /nfs/dbraw/zinc/60/13/46/349601346.db2.gz GLZPZERKFLEZRW-ZDUSSCGKSA-N 0 3 242.322 2.016 10 0 BEAEHN FCc1ccc2c(cccc2N2CCNCC2)n1 ZINC000107262530 398276644 /nfs/dbraw/zinc/27/66/44/398276644.db2.gz NZYKEQVCXQQQBU-UHFFFAOYSA-N 0 3 245.301 2.114 10 0 BEAEHN N[C@@H]1COc2c1cc(Br)cc2Cl ZINC000035653775 342754035 /nfs/dbraw/zinc/75/40/35/342754035.db2.gz AZRSAUCDYTWXQC-SSDOTTSWSA-N 0 3 248.507 2.495 10 0 BEAEHN CCOC(=O)CC1CCN(c2ccncc2)CC1 ZINC000146021894 342764541 /nfs/dbraw/zinc/76/45/41/342764541.db2.gz BQIHCKZMDLJIEL-UHFFFAOYSA-N 0 3 248.326 2.251 10 0 BEAEHN CCOC(=O)/C=C/[C@H](C)NCc1ccccc1 ZINC000148610110 342792000 /nfs/dbraw/zinc/79/20/00/342792000.db2.gz NCHVQJOWFMPMDV-VMPCVLLUSA-N 0 3 233.311 2.284 10 0 BEAEHN CCSCCNCc1cnc(C)s1 ZINC000128900365 398290391 /nfs/dbraw/zinc/29/03/91/398290391.db2.gz QUTSKCKHWPDJRW-UHFFFAOYSA-N 0 3 216.375 2.294 10 0 BEAEHN C[C@H](NCCC(N)=O)c1ccc(F)c(Cl)c1 ZINC000036746887 398287741 /nfs/dbraw/zinc/28/77/41/398287741.db2.gz VIKGHOLKXOSXEU-ZETCQYMHSA-N 0 3 244.697 2.005 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CCCN(C)C2)o1 ZINC000040671998 538972755 /nfs/dbraw/zinc/97/27/55/538972755.db2.gz WHWCZUQIGAHLJN-RYUDHWBXSA-N 0 3 222.332 2.333 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@H]2CCCN(C)C2)o1 ZINC000040671997 538972999 /nfs/dbraw/zinc/97/29/99/538972999.db2.gz WHWCZUQIGAHLJN-NEPJUHHUSA-N 0 3 222.332 2.333 10 0 BEAEHN Cc1cc(Cl)cc(C)c1CN[C@@H]1C[C@H]1CO ZINC000378661347 538973058 /nfs/dbraw/zinc/97/30/58/538973058.db2.gz BOYRIXVNQNMFDA-GXFFZTMASA-N 0 3 239.746 2.427 10 0 BEAEHN C[C@@H](N[C@H]1CCCN(C)C1)c1ccco1 ZINC000040671976 538973061 /nfs/dbraw/zinc/97/30/61/538973061.db2.gz PGHKIHOGAWVMJN-MNOVXSKESA-N 0 3 208.305 2.024 10 0 BEAEHN FCC[C@@H]1CCC[C@H]1NCc1cocn1 ZINC000380001395 538983898 /nfs/dbraw/zinc/98/38/98/538983898.db2.gz MZPLBBZSKURMAR-GXSJLCMTSA-N 0 3 212.268 2.293 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@H](C)c2nccs2)C1 ZINC000381568361 539004383 /nfs/dbraw/zinc/00/43/83/539004383.db2.gz VSFMCONWJZSQII-HBNTYKKESA-N 0 3 239.388 2.134 10 0 BEAEHN CCN1C[C@H](N[C@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739428 539006348 /nfs/dbraw/zinc/00/63/48/539006348.db2.gz ORCCGOZKFQTYCP-TUAOUCFPSA-N 0 3 222.332 2.270 10 0 BEAEHN C[C@@H](NCc1ccccn1)[C@H]1CCCCO1 ZINC000381448988 539000713 /nfs/dbraw/zinc/00/07/13/539000713.db2.gz GKHJAPGOTHKFSG-DGCLKSJQSA-N 0 3 220.316 2.129 10 0 BEAEHN CSCCNC1=N[C@H](C)C[C@H](C)S1 ZINC000165017832 342868579 /nfs/dbraw/zinc/86/85/79/342868579.db2.gz GRMKZZGYFWJBHK-SFYZADRCSA-N 0 3 218.391 2.209 10 0 BEAEHN C[C@H](CCNCc1ccc(Cl)o1)[S@@](C)=O ZINC000132555556 398306317 /nfs/dbraw/zinc/30/63/17/398306317.db2.gz GELIQLGGVLODBO-GLEZIHRCSA-N 0 3 249.763 2.180 10 0 BEAEHN COc1ccc([C@@H](N)c2cccs2)cn1 ZINC000309096885 342890637 /nfs/dbraw/zinc/89/06/37/342890637.db2.gz DEQLJVXFHPJIMO-LLVKDONJSA-N 0 3 220.297 2.200 10 0 BEAEHN CC(C)(N)c1csc(-c2cncs2)n1 ZINC000165258776 342892805 /nfs/dbraw/zinc/89/28/05/342892805.db2.gz UVHJZQKSCWGGES-UHFFFAOYSA-N 0 3 225.342 2.460 10 0 BEAEHN Cc1csc(C[C@]2(F)CCCNC2)n1 ZINC000158086971 398327825 /nfs/dbraw/zinc/32/78/25/398327825.db2.gz BWQCKYPNUKCPEA-SNVBAGLBSA-N 0 3 214.309 2.086 10 0 BEAEHN CCn1c(C)nnc1CN[C@@H]1CCCC[C@@H]1C ZINC000162351403 349653179 /nfs/dbraw/zinc/65/31/79/349653179.db2.gz QLVZRKKPHBFAPF-CMPLNLGQSA-N 0 3 236.363 2.275 10 0 BEAEHN CCN1CCC[C@@H](NCc2csc(C)n2)C1 ZINC000040502568 346901820 /nfs/dbraw/zinc/90/18/20/346901820.db2.gz QQSMLSDALXWXNW-LLVKDONJSA-N 0 3 239.388 2.025 10 0 BEAEHN COC[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000020262414 342978942 /nfs/dbraw/zinc/97/89/42/342978942.db2.gz ROHHPXSZRZTEOZ-VIFPVBQESA-N 0 3 219.206 2.352 10 0 BEAEHN COc1cc([C@@H]2CCC[NH2+]2)cc(Cl)c1[O-] ZINC000072202428 343071533 /nfs/dbraw/zinc/07/15/33/343071533.db2.gz BCSMAWNZVNCTDC-VIFPVBQESA-N 0 3 227.691 2.479 10 0 BEAEHN C[C@H](N)c1csc(-c2ccns2)n1 ZINC000404456392 343071794 /nfs/dbraw/zinc/07/17/94/343071794.db2.gz MWRSUSGTPRMMCH-YFKPBYRVSA-N 0 3 211.315 2.286 10 0 BEAEHN Cc1ccsc1[C@@H](N)c1cccnc1 ZINC000042728850 362021010 /nfs/dbraw/zinc/02/10/10/362021010.db2.gz DKTXEEGHWZVVOV-JTQLQIEISA-N 0 3 204.298 2.500 10 0 BEAEHN CCOC[C@]1(C)NCCc2sccc21 ZINC000306662688 362021863 /nfs/dbraw/zinc/02/18/63/362021863.db2.gz UNKBNJFUHYXREE-NSHDSACASA-N 0 3 211.330 2.146 10 0 BEAEHN CC[C@@H](N)C(=O)Nc1ccsc1Cl ZINC000306664393 362022036 /nfs/dbraw/zinc/02/20/36/362022036.db2.gz RXXIBVZQEAYVGW-RXMQYKEDSA-N 0 3 218.709 2.077 10 0 BEAEHN Cc1cc2ncc(N)c(N)c2c(C)c1Cl ZINC000584882034 343083596 /nfs/dbraw/zinc/08/35/96/343083596.db2.gz JQTNXVFJPZEUOA-UHFFFAOYSA-N 0 3 221.691 2.500 10 0 BEAEHN CCNc1c(N)cnc2cc(F)c(C)cc21 ZINC000584882338 343084662 /nfs/dbraw/zinc/08/46/62/343084662.db2.gz CRJYROTYFJOSNR-UHFFFAOYSA-N 0 3 219.263 2.118 10 0 BEAEHN CC(C)(C)C1CCN(C(=O)CNC2CC2)CC1 ZINC000050348685 343147394 /nfs/dbraw/zinc/14/73/94/343147394.db2.gz SAGGOERADSRRSY-UHFFFAOYSA-N 0 3 238.375 2.023 10 0 BEAEHN Cc1cnccc1CNCCOC(C)(C)C ZINC000129760534 343184931 /nfs/dbraw/zinc/18/49/31/343184931.db2.gz AHQLVAQDRFWMTE-UHFFFAOYSA-N 0 3 222.332 2.295 10 0 BEAEHN COc1cccc(CN[C@H](C)C(C)C)n1 ZINC000069637536 343287621 /nfs/dbraw/zinc/28/76/21/343287621.db2.gz HMDJKTBUQYXOMT-SNVBAGLBSA-N 0 3 208.305 2.224 10 0 BEAEHN CCc1c(CN(C)C)cccc1OC(C)=O ZINC000034153959 343265689 /nfs/dbraw/zinc/26/56/89/343265689.db2.gz KCKLKYSVKSSGAB-UHFFFAOYSA-N 0 3 221.300 2.236 10 0 BEAEHN N[C@@H]1CCOc2c(Br)cc(F)cc21 ZINC000036928685 343327926 /nfs/dbraw/zinc/32/79/26/343327926.db2.gz NJWYNRUZEDPIDT-MRVPVSSYSA-N 0 3 246.079 2.371 10 0 BEAEHN COC(=O)C[C@@H](C)N(C)Cc1ccccc1 ZINC000035751858 343303805 /nfs/dbraw/zinc/30/38/05/343303805.db2.gz QHPOOEXYBVPKDB-LLVKDONJSA-N 0 3 221.300 2.070 10 0 BEAEHN N[C@H](CO)c1cccc(Oc2ccccc2)c1 ZINC000038124687 343371584 /nfs/dbraw/zinc/37/15/84/343371584.db2.gz VHTXXANHTMMDDV-CQSZACIVSA-N 0 3 229.279 2.471 10 0 BEAEHN COC(CN[C@@H](C)c1ccccc1C)OC ZINC000037473045 343346342 /nfs/dbraw/zinc/34/63/42/343346342.db2.gz ROSCREXUYLAVME-NSHDSACASA-N 0 3 223.316 2.265 10 0 BEAEHN CCC(CC)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000177741784 346938179 /nfs/dbraw/zinc/93/81/79/346938179.db2.gz ADMNQHTZPZZPEY-CYBMUJFWSA-N 0 3 238.375 2.119 10 0 BEAEHN CC(C)(C)N1CC[C@H](OC(F)(F)F)C1 ZINC000616613854 343520881 /nfs/dbraw/zinc/52/08/81/343520881.db2.gz STTWNJZAXQNISR-ZETCQYMHSA-N 0 3 211.227 2.396 10 0 BEAEHN OCCN1CCCC[C@@H](c2ccccc2F)C1 ZINC000616656338 343531911 /nfs/dbraw/zinc/53/19/11/343531911.db2.gz VUWAGVWNENBIEJ-GFCCVEGCSA-N 0 3 237.318 2.388 10 0 BEAEHN CCOC1CC2(C1)NCCc1ccsc12 ZINC000712559675 537793137 /nfs/dbraw/zinc/79/31/37/537793137.db2.gz ZZEHREXNLVWHFX-UHFFFAOYSA-N 0 3 223.341 2.288 10 0 BEAEHN Cc1nc(N)c(C)c(NCc2ccccc2)n1 ZINC000128360809 346954175 /nfs/dbraw/zinc/95/41/75/346954175.db2.gz MQDQPLBQWDTUEP-UHFFFAOYSA-N 0 3 228.299 2.288 10 0 BEAEHN Cc1nc(CN)cc(-c2ccc(F)cc2)n1 ZINC000020388434 343775083 /nfs/dbraw/zinc/77/50/83/343775083.db2.gz JYLDXCMCBYHKRY-UHFFFAOYSA-N 0 3 217.247 2.050 10 0 BEAEHN Cc1csc(CNCc2cnn(C)c2C)c1 ZINC000344617397 343763724 /nfs/dbraw/zinc/76/37/24/343763724.db2.gz VIBJSUMXJHJELB-UHFFFAOYSA-N 0 3 235.356 2.388 10 0 BEAEHN CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCCN1 ZINC000036199905 343779690 /nfs/dbraw/zinc/77/96/90/343779690.db2.gz XOMQTXVBZMYSNO-ZDUSSCGKSA-N 0 3 240.391 2.269 10 0 BEAEHN CC(C)(C)c1ccc(-n2cc(CN)nn2)cc1 ZINC000050224105 343782452 /nfs/dbraw/zinc/78/24/52/343782452.db2.gz IDNVPIJAORGWAT-UHFFFAOYSA-N 0 3 230.315 2.024 10 0 BEAEHN NCc1nc(C2CCCC2)n2ccccc12 ZINC000212371357 343791765 /nfs/dbraw/zinc/79/17/65/343791765.db2.gz PPCYZLCFGQDBDG-UHFFFAOYSA-N 0 3 215.300 2.451 10 0 BEAEHN Cn1nc([C@@H]2CCCCN2)c2c1CCCC2 ZINC000215731217 343792643 /nfs/dbraw/zinc/79/26/43/343792643.db2.gz PZUQSGSURYAABT-NSHDSACASA-N 0 3 219.332 2.114 10 0 BEAEHN CCn1nc(-c2ccsc2)c2c1CCNC2 ZINC000409437063 343842262 /nfs/dbraw/zinc/84/22/62/343842262.db2.gz DDDMFGFMLRYGPX-UHFFFAOYSA-N 0 3 233.340 2.277 10 0 BEAEHN CN1C[C@H](CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000409437625 343843070 /nfs/dbraw/zinc/84/30/70/343843070.db2.gz AKWHEZZITCJFAD-BXKDBHETSA-N 0 3 225.719 2.325 10 0 BEAEHN Cc1nc(CN)cc(Cc2ccccc2Cl)n1 ZINC000409439330 343846727 /nfs/dbraw/zinc/84/67/27/343846727.db2.gz QWKXLJQBPMQGIS-UHFFFAOYSA-N 0 3 247.729 2.488 10 0 BEAEHN CN[C@H](Cc1cccc(F)c1)c1nccn1C ZINC000069473590 537822866 /nfs/dbraw/zinc/82/28/66/537822866.db2.gz LNSSMHBUKUELQS-GFCCVEGCSA-N 0 3 233.290 2.062 10 0 BEAEHN c1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c[nH]1 ZINC000179855207 347000058 /nfs/dbraw/zinc/00/00/58/347000058.db2.gz UZYGSNDQGGFKJH-GFCCVEGCSA-N 0 3 230.315 2.117 10 0 BEAEHN C[C@@H](CNc1cc(Cl)nnc1Cl)N(C)C ZINC000127160684 343861055 /nfs/dbraw/zinc/86/10/55/343861055.db2.gz YXNRRLJGFVZZAV-LURJTMIESA-N 0 3 249.145 2.145 10 0 BEAEHN CC[C@H](N)c1ccc(OC)c(OC)c1OC ZINC000036200735 343970643 /nfs/dbraw/zinc/97/06/43/343970643.db2.gz JCCKAQKNYZUQIV-VIFPVBQESA-N 0 3 225.288 2.122 10 0 BEAEHN CNCc1ncoc1-c1ccc(Cl)o1 ZINC000234382346 343960255 /nfs/dbraw/zinc/96/02/55/343960255.db2.gz YIAIGWUAHLUGNC-UHFFFAOYSA-N 0 3 212.636 2.307 10 0 BEAEHN CN[C@@]1(c2nc(C)cs2)CCS[C@H]1C ZINC000234443251 343966429 /nfs/dbraw/zinc/96/64/29/343966429.db2.gz BMVJYLWVLAQLJF-WPRPVWTQSA-N 0 3 228.386 2.392 10 0 BEAEHN CCN1CCC[C@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641303416 362352025 /nfs/dbraw/zinc/35/20/25/362352025.db2.gz DEELFGBBVXBVHF-LBPRGKRZSA-N 0 3 246.358 2.250 10 0 BEAEHN C[C@@H](Cc1ccsc1)NCc1cncnc1 ZINC000054768111 344251364 /nfs/dbraw/zinc/25/13/64/344251364.db2.gz FSWOSWBSMPJKNB-JTQLQIEISA-N 0 3 233.340 2.259 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1nccn1C ZINC000132292472 344297509 /nfs/dbraw/zinc/29/75/09/344297509.db2.gz OPRGMZKLLJWBID-AXFHLTTASA-N 0 3 207.321 2.259 10 0 BEAEHN NCc1cc2ccc(Br)cc2cn1 ZINC000217010135 344432827 /nfs/dbraw/zinc/43/28/27/344432827.db2.gz CFBUDWWBRYBMBF-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN NC1(c2csc(-c3ccco3)n2)CC1 ZINC000106886471 344477648 /nfs/dbraw/zinc/47/76/48/344477648.db2.gz XODVVNAPODEEDN-UHFFFAOYSA-N 0 3 206.270 2.351 10 0 BEAEHN OC[C@@H]1C[C@H]1NCc1cc2ccccc2s1 ZINC000381630050 344527135 /nfs/dbraw/zinc/52/71/35/344527135.db2.gz PBJFFUQGWFCVEW-CMPLNLGQSA-N 0 3 233.336 2.372 10 0 BEAEHN C[C@@](F)(CN)c1ccc(F)c(F)c1F ZINC000158246755 344574462 /nfs/dbraw/zinc/57/44/62/344574462.db2.gz PMQDCQJWCYABAC-SECBINFHSA-N 0 3 207.170 2.247 10 0 BEAEHN CC(C)(C)[C@](F)(CN)C1CCOCC1 ZINC000158367009 344611146 /nfs/dbraw/zinc/61/11/46/344611146.db2.gz RAQVYKIXIUPCNI-NSHDSACASA-N 0 3 203.301 2.126 10 0 BEAEHN C[C@H]1C[C@@H](Nc2nsnc2Cl)CCN1C ZINC000158598467 344687765 /nfs/dbraw/zinc/68/77/65/344687765.db2.gz CECONFHYKQHXGL-BQBZGAKWSA-N 0 3 246.767 2.086 10 0 BEAEHN FC(F)(F)c1ccc(COC2CNC2)cc1 ZINC000062809987 347082150 /nfs/dbraw/zinc/08/21/50/347082150.db2.gz VANBEBAVAABWGM-UHFFFAOYSA-N 0 3 231.217 2.194 10 0 BEAEHN C[C@@H](CC(F)(F)F)NC1=NCCCS1 ZINC000235153284 344823479 /nfs/dbraw/zinc/82/34/79/344823479.db2.gz RBVAYQMUCAGNCA-LURJTMIESA-N 0 3 226.267 2.410 10 0 BEAEHN NC[C@@H](F)Cc1cc(F)ccc1Cl ZINC000166305941 344851803 /nfs/dbraw/zinc/85/18/03/344851803.db2.gz HAKSQSKNGHXBGM-QMMMGPOBSA-N 0 3 205.635 2.318 10 0 BEAEHN CC(C)=C[C@](C)(F)C[C@H]1COCCN1 ZINC000166351598 344870800 /nfs/dbraw/zinc/87/08/00/344870800.db2.gz HXQIMFBUPNYITM-QWRGUYRKSA-N 0 3 201.285 2.059 10 0 BEAEHN C[C@@H]1SCC[C@]12NC(C)(C)CS2 ZINC000235412130 344908151 /nfs/dbraw/zinc/90/81/51/344908151.db2.gz NPAFOKYPBICJCG-IONNQARKSA-N 0 3 203.376 2.323 10 0 BEAEHN CCOC(=O)C[C@H](N)c1ccc(F)c(Cl)c1 ZINC000044195789 344930402 /nfs/dbraw/zinc/93/04/02/344930402.db2.gz NZSSRNYURUYGPR-JTQLQIEISA-N 0 3 245.681 2.432 10 0 BEAEHN N[C@H](CCO)c1c(F)cc(Cl)cc1F ZINC000044235613 344987305 /nfs/dbraw/zinc/98/73/05/344987305.db2.gz MSXSLNRMZFSKNK-MRVPVSSYSA-N 0 3 221.634 2.000 10 0 BEAEHN N[C@H](CCO)c1c(F)ccc(F)c1Cl ZINC000044233469 344988999 /nfs/dbraw/zinc/98/89/99/344988999.db2.gz AXYNUPIGLYEZCJ-SSDOTTSWSA-N 0 3 221.634 2.000 10 0 BEAEHN Cc1nc([C@@H](NC(C)C)c2ccccc2)n[nH]1 ZINC000154161543 345015480 /nfs/dbraw/zinc/01/54/80/345015480.db2.gz ULWBPRKSZDFWIR-LBPRGKRZSA-N 0 3 230.315 2.201 10 0 BEAEHN N[C@H](c1coc(Br)c1)C1CC1 ZINC000238580811 345083768 /nfs/dbraw/zinc/08/37/68/345083768.db2.gz VCEWOBABOFSIBF-QMMMGPOBSA-N 0 3 216.078 2.452 10 0 BEAEHN Cc1cc2c(cc1Br)OC[C@H]2N ZINC000238489697 345062016 /nfs/dbraw/zinc/06/20/16/345062016.db2.gz NDZDEGOVDOMVPP-MRVPVSSYSA-N 0 3 228.089 2.150 10 0 BEAEHN NCc1ncc(OC(F)(F)F)cc1Cl ZINC000238609394 345091815 /nfs/dbraw/zinc/09/18/15/345091815.db2.gz KUGDOEILSKESHZ-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN NCc1cc(Cl)cc(OC(F)(F)F)n1 ZINC000238656314 345102474 /nfs/dbraw/zinc/10/24/74/345102474.db2.gz QRFRLYQHHOKRSJ-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN NCc1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238682401 345108623 /nfs/dbraw/zinc/10/86/23/345108623.db2.gz FGZBUNHVGMUNFT-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN OCCN[C@@H]1CCCc2sc(Cl)cc21 ZINC000132258427 345324015 /nfs/dbraw/zinc/32/40/15/345324015.db2.gz IQJVLLLWNLNZOB-MRVPVSSYSA-N 0 3 231.748 2.361 10 0 BEAEHN CC(C)CCCNC(=O)[C@@]1(C)CCCCN1 ZINC000159566125 345442984 /nfs/dbraw/zinc/44/29/84/345442984.db2.gz HEGOUNQQHVIUEA-CYBMUJFWSA-N 0 3 226.364 2.071 10 0 BEAEHN CC[C@@H]1CN(Cc2cccc(F)c2)CC[C@@H]1O ZINC000159494604 345465881 /nfs/dbraw/zinc/46/58/81/345465881.db2.gz HGBZITKGXRUALW-OCCSQVGLSA-N 0 3 237.318 2.419 10 0 BEAEHN N[C@H](c1ccoc1Br)C1CC1 ZINC000229299687 345484739 /nfs/dbraw/zinc/48/47/39/345484739.db2.gz BQYIYFCHLDGWQK-ZETCQYMHSA-N 0 3 216.078 2.452 10 0 BEAEHN CCOC(=O)/C=C/CN1CCC[C@@H](C)[C@H]1C ZINC000250140318 537909840 /nfs/dbraw/zinc/90/98/40/537909840.db2.gz NQQKOMFBTXCISN-RQDOONKYSA-N 0 3 225.332 2.226 10 0 BEAEHN NC1CN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000083634701 345919569 /nfs/dbraw/zinc/91/95/69/345919569.db2.gz TVQOPZPMHXSSJC-UHFFFAOYSA-N 0 3 231.126 2.136 10 0 BEAEHN CNc1cc(NCC2CC2)nc(C2CC2)n1 ZINC000087908981 345939923 /nfs/dbraw/zinc/93/99/23/345939923.db2.gz PCJZSBCWZYNVDK-UHFFFAOYSA-N 0 3 218.304 2.218 10 0 BEAEHN C[C@@H](C(=O)N1CC(NC2CCC2)C1)C(C)(C)C ZINC000675054596 537947397 /nfs/dbraw/zinc/94/73/97/537947397.db2.gz IDCXIPVBKAVASB-JTQLQIEISA-N 0 3 238.375 2.022 10 0 BEAEHN NCc1ncoc1-c1ccoc1Br ZINC000236250090 346214246 /nfs/dbraw/zinc/21/42/46/346214246.db2.gz HHENSNZXBSMISD-UHFFFAOYSA-N 0 3 243.060 2.156 10 0 BEAEHN Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H](C)N2)c1 ZINC000048266313 179087176 /nfs/dbraw/zinc/08/71/76/179087176.db2.gz JZKZVONTOBMWNN-OCCSQVGLSA-N 0 3 246.354 2.142 10 0 BEAEHN COC[C@H](N)c1ccc(C)cc1Br ZINC000161664862 346496040 /nfs/dbraw/zinc/49/60/40/346496040.db2.gz NTAKVBKPNJHSFV-JTQLQIEISA-N 0 3 244.132 2.404 10 0 BEAEHN Cc1cccc(N)c1NC(=O)CN(C)CC(C)C ZINC000037273365 179119665 /nfs/dbraw/zinc/11/96/65/179119665.db2.gz RNBYLFVYYSXDCJ-UHFFFAOYSA-N 0 3 249.358 2.104 10 0 BEAEHN CNc1cccc(N[C@H](C)CSC)n1 ZINC000128308675 346673620 /nfs/dbraw/zinc/67/36/20/346673620.db2.gz ZEJMJIXPXPPCFW-MRVPVSSYSA-N 0 3 211.334 2.287 10 0 BEAEHN Cc1cccc(N[C@@H]2CCN(C)C2)c1C ZINC000061984687 179155288 /nfs/dbraw/zinc/15/52/88/179155288.db2.gz FYRMKZVERIAOMZ-GFCCVEGCSA-N 0 3 204.317 2.419 10 0 BEAEHN Cn1cnc2c1[C@@H](C1(C)CCCC1)NCC2 ZINC000725242785 537989823 /nfs/dbraw/zinc/98/98/23/537989823.db2.gz TZVPJNUPAUSKOA-LBPRGKRZSA-N 0 3 219.332 2.187 10 0 BEAEHN C[C@@H](N[C@@H](C)c1ccco1)[C@@H]1CCCO1 ZINC000020206749 347424881 /nfs/dbraw/zinc/42/48/81/347424881.db2.gz FIHOEBROSDWAIR-UMNHJUIQSA-N 0 3 209.289 2.498 10 0 BEAEHN Cc1ccccc1-c1c[nH]c([C@@H](C)N)n1 ZINC000036872191 179237088 /nfs/dbraw/zinc/23/70/88/179237088.db2.gz WREZJOXWAGWJLS-SECBINFHSA-N 0 3 201.273 2.405 10 0 BEAEHN c1cc2c(o1)[C@]1(C[C@H]3CCC[C@H]31)NCC2 ZINC000725242873 537989655 /nfs/dbraw/zinc/98/96/55/537989655.db2.gz MGKWTTNDGRCWHT-NQBHXWOUSA-N 0 3 203.285 2.441 10 0 BEAEHN Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H](C)N1 ZINC000048265958 179279881 /nfs/dbraw/zinc/27/98/81/179279881.db2.gz KSYZTDQFWIHRIZ-JSGCOSHPSA-N 0 3 246.354 2.142 10 0 BEAEHN Cc1ccccc1C[C@H](N)c1cncnc1 ZINC000052887381 179292116 /nfs/dbraw/zinc/29/21/16/179292116.db2.gz MTSGTQFRFAJLCZ-ZDUSSCGKSA-N 0 3 213.284 2.028 10 0 BEAEHN C[C@H]1OCC2(CCN(Cc3ccccc3)CC2)O1 ZINC000196303506 347868244 /nfs/dbraw/zinc/86/82/44/347868244.db2.gz LFMHGYSOHGYRMA-ZDUSSCGKSA-N 0 3 247.338 2.414 10 0 BEAEHN Cc1ccccc1[C@@H](NC1CCCCC1)C(N)=O ZINC000037969722 179324399 /nfs/dbraw/zinc/32/43/99/179324399.db2.gz NLKVWGRGXNUCAN-CQSZACIVSA-N 0 3 246.354 2.444 10 0 BEAEHN CCN(C)c1cc(Br)ccc1CN ZINC000037079101 348016932 /nfs/dbraw/zinc/01/69/32/348016932.db2.gz XZRCUWZXESQXOP-UHFFFAOYSA-N 0 3 243.148 2.364 10 0 BEAEHN Cc1cccn2c([C@H](N)C(C)C)cnc12 ZINC000031911688 179353789 /nfs/dbraw/zinc/35/37/89/179353789.db2.gz PMNOQLMMKRZMKN-LLVKDONJSA-N 0 3 203.289 2.299 10 0 BEAEHN CC[C@@H](C)NC[C@@H](O)C(Cl)(Cl)Cl ZINC000669381949 537999612 /nfs/dbraw/zinc/99/96/12/537999612.db2.gz BMEHLAYRRXAJGD-PHDIDXHHSA-N 0 3 234.554 2.106 10 0 BEAEHN CC1CCN(c2nc(CN)ccc2Cl)CC1 ZINC000669382233 538000366 /nfs/dbraw/zinc/00/03/66/538000366.db2.gz JIWSJXZUODCFEB-UHFFFAOYSA-N 0 3 239.750 2.430 10 0 BEAEHN CC(=O)CCN1CCC[C@@H](c2nccs2)C1 ZINC000103473084 187391535 /nfs/dbraw/zinc/39/15/35/187391535.db2.gz LIBHCEZKEZRGSF-LLVKDONJSA-N 0 3 238.356 2.302 10 0 BEAEHN C1CCC(N2CCS[C@@H]3COCC[C@H]32)C1 ZINC000245628591 192119005 /nfs/dbraw/zinc/11/90/05/192119005.db2.gz PKRDGKSZBSPLPZ-VXGBXAGGSA-N 0 3 227.373 2.135 10 0 BEAEHN C[C@@H]1CN[C@]2(CCN(Cc3ccccc3)C2)S1 ZINC000159136196 348302802 /nfs/dbraw/zinc/30/28/02/348302802.db2.gz GKZOUYGOKJLIIK-TZMCWYRMSA-N 0 3 248.395 2.314 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(C)(C)C ZINC000070266087 323184446 /nfs/dbraw/zinc/18/44/46/323184446.db2.gz MFUQAZCMNIUSRB-LLVKDONJSA-N 0 3 228.380 2.125 10 0 BEAEHN C[C@@H]1CCS[C@]2(C[C@@H](C)O[C@@H](C)C2)N1 ZINC000251781933 362918072 /nfs/dbraw/zinc/91/80/72/362918072.db2.gz WFCSHSXCBCJPII-ZNSHCXBVSA-N 0 3 215.362 2.385 10 0 BEAEHN N[C@@H]1C[C@@]12CNc1c2cccc1C(F)(F)F ZINC000725246907 538009359 /nfs/dbraw/zinc/00/93/59/538009359.db2.gz APCKXFZRSPXWKV-SCZZXKLOSA-N 0 3 228.217 2.100 10 0 BEAEHN Cc1ccc(Cl)c2c1[C@]1(C[C@@H]1N)CN2 ZINC000725247601 538013381 /nfs/dbraw/zinc/01/33/81/538013381.db2.gz RVHRZLXDSIDEQA-GZMMTYOYSA-N 0 3 208.692 2.043 10 0 BEAEHN CCN(CC)c1nc(CN)ccc1Cl ZINC000669383839 538012799 /nfs/dbraw/zinc/01/27/99/538012799.db2.gz ZBHSJWRIYCMYGE-UHFFFAOYSA-N 0 3 213.712 2.040 10 0 BEAEHN Cc1cc2c(c(Cl)c1)NC[C@]21C[C@@H]1N ZINC000725247655 538013893 /nfs/dbraw/zinc/01/38/93/538013893.db2.gz UBMJZBUCFKWSTC-GXSJLCMTSA-N 0 3 208.692 2.043 10 0 BEAEHN CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1N)CN2 ZINC000725247813 538014329 /nfs/dbraw/zinc/01/43/29/538014329.db2.gz ZMFWDDIVVICYAF-CHWSQXEVSA-N 0 3 202.301 2.204 10 0 BEAEHN CN[C@H](C)C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000054074760 348876076 /nfs/dbraw/zinc/87/60/76/348876076.db2.gz BZHCZWUNYXLXEG-BXUZGUMPSA-N 0 3 246.354 2.130 10 0 BEAEHN CN[C@H](C)C(=O)NCc1cccc2ccccc21 ZINC000054076980 348879991 /nfs/dbraw/zinc/87/99/91/348879991.db2.gz DEVBEVORWLPIGM-LLVKDONJSA-N 0 3 242.322 2.064 10 0 BEAEHN Cc1ccc(CN)c(OC(F)(F)F)c1 ZINC000616575483 349096047 /nfs/dbraw/zinc/09/60/47/349096047.db2.gz CVPLIUHUYRHTCP-UHFFFAOYSA-N 0 3 205.179 2.352 10 0 BEAEHN NCc1cc(F)c(C(F)(F)F)cc1F ZINC000202670295 350002446 /nfs/dbraw/zinc/00/24/46/350002446.db2.gz QVRSFXPZNGMKBX-UHFFFAOYSA-N 0 3 211.133 2.442 10 0 BEAEHN N[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000299805618 538030555 /nfs/dbraw/zinc/03/05/55/538030555.db2.gz XPYQFIOWYHKGOX-LBPRGKRZSA-N 0 3 205.301 2.239 10 0 BEAEHN CCOc1cc(OC(F)(F)F)ccc1CN ZINC000616580155 349250929 /nfs/dbraw/zinc/25/09/29/349250929.db2.gz OHBOMXVYIFZHPY-UHFFFAOYSA-N 0 3 235.205 2.443 10 0 BEAEHN Cc1nc(N2CCCC2)sc1[C@H](C)N ZINC000040543786 180000644 /nfs/dbraw/zinc/00/06/44/180000644.db2.gz POZUIFVZZSUSBQ-ZETCQYMHSA-N 0 3 211.334 2.071 10 0 BEAEHN Cc1nc(N2CCCC2)sc1[C@@H](C)N ZINC000040543784 180001099 /nfs/dbraw/zinc/00/10/99/180001099.db2.gz POZUIFVZZSUSBQ-SSDOTTSWSA-N 0 3 211.334 2.071 10 0 BEAEHN Cc1ccc(CNCC[C@@H](C)[S@](C)=O)cc1 ZINC000132545242 191032850 /nfs/dbraw/zinc/03/28/50/191032850.db2.gz SXUYDTFAJPDURN-MLGOLLRUSA-N 0 3 239.384 2.242 10 0 BEAEHN C[C@@H](CCNCc1ccccc1F)[S@@](C)=O ZINC000132594598 191033622 /nfs/dbraw/zinc/03/36/22/191033622.db2.gz LHKTYJKHGABGND-QFYYESIMSA-N 0 3 243.347 2.072 10 0 BEAEHN C[C@@H](CCNCc1ccccc1F)[S@](C)=O ZINC000132594200 191033983 /nfs/dbraw/zinc/03/39/83/191033983.db2.gz LHKTYJKHGABGND-MGPLVRAMSA-N 0 3 243.347 2.072 10 0 BEAEHN Cc1nc2ccc(Cl)cn2c1[C@H](C)N ZINC000031918715 180090396 /nfs/dbraw/zinc/09/03/96/180090396.db2.gz JEHBZPQKGBDLEF-LURJTMIESA-N 0 3 209.680 2.316 10 0 BEAEHN C[C@@H](NCC1(C)CCC1)c1nccn1C ZINC000132301609 191030087 /nfs/dbraw/zinc/03/00/87/191030087.db2.gz ITCPSNZZOBBNEX-SNVBAGLBSA-N 0 3 207.321 2.261 10 0 BEAEHN Cc1nccc(N[C@H](CC(C)C)CN(C)C)n1 ZINC000054936292 180204617 /nfs/dbraw/zinc/20/46/17/180204617.db2.gz MQQGMSTWIOLTIP-GFCCVEGCSA-N 0 3 236.363 2.173 10 0 BEAEHN Cc1nccn1[C@H](CN)c1ccc(Cl)s1 ZINC000043254340 180272597 /nfs/dbraw/zinc/27/25/97/180272597.db2.gz NRPSDAJYHFQQMQ-MRVPVSSYSA-N 0 3 241.747 2.455 10 0 BEAEHN C[C@@](N)(CO)c1cc(Cl)ccc1Cl ZINC000038124567 350306905 /nfs/dbraw/zinc/30/69/05/350306905.db2.gz OOULGQNIGGEKQD-SECBINFHSA-N 0 3 220.099 2.160 10 0 BEAEHN C[C@@H](c1ccsc1)N1CC[C@@H](CO)C1 ZINC000224467615 350322473 /nfs/dbraw/zinc/32/24/73/350322473.db2.gz QVWHGVOCLTUFER-VHSXEESVSA-N 0 3 211.330 2.123 10 0 BEAEHN Cc1nccnc1[C@H](C)NC[C@@H]1CCCCO1 ZINC000219114253 180284341 /nfs/dbraw/zinc/28/43/41/180284341.db2.gz KNOXSZSTUALYKZ-RYUDHWBXSA-N 0 3 235.331 2.005 10 0 BEAEHN CC[C@@H](C)[C@@](C)(NCc1ccccc1)C(N)=O ZINC000037941178 350293073 /nfs/dbraw/zinc/29/30/73/350293073.db2.gz CUJTWMHGMFJWCB-BXUZGUMPSA-N 0 3 234.343 2.066 10 0 BEAEHN F[C@@H]([C@H]1CCCN1)C(F)(F)Br ZINC000225685631 350369792 /nfs/dbraw/zinc/36/97/92/350369792.db2.gz NDXYGLSYEZVOCJ-UHNVWZDZSA-N 0 3 232.043 2.064 10 0 BEAEHN Cc1nn(-c2ccccc2)c(OC(C)C)c1CN ZINC000040176534 180330745 /nfs/dbraw/zinc/33/07/45/180330745.db2.gz PRYOLDXXIKCCLM-UHFFFAOYSA-N 0 3 245.326 2.427 10 0 BEAEHN Cc1nn(C)c(C)c1[C@@H](N)c1ccc(F)cc1 ZINC000075871759 180347130 /nfs/dbraw/zinc/34/71/30/180347130.db2.gz AVTCKHKCLXJKBQ-ZDUSSCGKSA-N 0 3 233.290 2.224 10 0 BEAEHN Cc1nn(C)c(N(C)[C@@H](C)C(C)(C)C)c1CN ZINC000042777272 180352527 /nfs/dbraw/zinc/35/25/27/180352527.db2.gz JBHWGBZHCJMARH-JTQLQIEISA-N 0 3 238.379 2.058 10 0 BEAEHN CN1CCOC[C@H](c2cncc3ccccc32)C1 ZINC000616591859 350416220 /nfs/dbraw/zinc/41/62/20/350416220.db2.gz AJPDTGPDHFQDKZ-CYBMUJFWSA-N 0 3 242.322 2.280 10 0 BEAEHN CN1CCOC[C@H](c2cccc3ncccc32)C1 ZINC000616592174 350439166 /nfs/dbraw/zinc/43/91/66/350439166.db2.gz BZFFTNGXYLYELM-GFCCVEGCSA-N 0 3 242.322 2.280 10 0 BEAEHN NCc1cc(CCc2ccc(Cl)cc2)ncn1 ZINC000409436646 350479857 /nfs/dbraw/zinc/47/98/57/350479857.db2.gz PYKXNJKQDUVDKK-UHFFFAOYSA-N 0 3 247.729 2.374 10 0 BEAEHN Cc1nn([C@@H](CN)c2ccsc2)c(C)c1C ZINC000043124234 180392242 /nfs/dbraw/zinc/39/22/42/180392242.db2.gz SXTXVTKHWAGOGZ-LBPRGKRZSA-N 0 3 235.356 2.418 10 0 BEAEHN CN1CCO[C@@H](c2cccc3ccnnc32)CC1 ZINC000616594552 350596193 /nfs/dbraw/zinc/59/61/93/350596193.db2.gz QLONRKMLCLTABT-CYBMUJFWSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)N1CCO[C@@H](c2ccccc2N)CC1 ZINC000616595252 350606672 /nfs/dbraw/zinc/60/66/72/350606672.db2.gz VFVJWBWCVWONBW-CQSZACIVSA-N 0 3 234.343 2.441 10 0 BEAEHN Cc1nnc2n1CCC[C@@H]2NCCC(C)C ZINC000309424871 180449262 /nfs/dbraw/zinc/44/92/62/180449262.db2.gz BLZKCBSVZGDOGP-NSHDSACASA-N 0 3 222.336 2.057 10 0 BEAEHN CC(=O)Nc1cccc([C@@H]2CN(C)CCCO2)c1 ZINC000616598668 350683533 /nfs/dbraw/zinc/68/35/33/350683533.db2.gz OYTKRZRBELBYOY-AWEZNQCLSA-N 0 3 248.326 2.038 10 0 BEAEHN CC(C)N1CCOCC[C@H]1c1ccncc1 ZINC000616598791 350689212 /nfs/dbraw/zinc/68/92/12/350689212.db2.gz RGKWLLYAEVTYRX-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CCN1CCOCC[C@@H]1c1ccc(N)cc1 ZINC000616599568 350751939 /nfs/dbraw/zinc/75/19/39/350751939.db2.gz RNRIBVOCOLNFPT-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN COc1ccc([C@H]2COCCCN2C)cc1 ZINC000616599177 350728082 /nfs/dbraw/zinc/72/80/82/350728082.db2.gz ILVNVDJWHYCTKW-CYBMUJFWSA-N 0 3 221.300 2.088 10 0 BEAEHN CCN1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616599870 350772566 /nfs/dbraw/zinc/77/25/66/350772566.db2.gz YFSMJIHOZGQTRV-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CC(C)(C)N1CCCOC[C@@H]1c1ccnc(N)c1 ZINC000616600005 350778352 /nfs/dbraw/zinc/77/83/52/350778352.db2.gz WTNIHZPSZJRVFF-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN CN1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616607820 350801999 /nfs/dbraw/zinc/80/19/99/350801999.db2.gz YTPSYNBCMVJARQ-CYBMUJFWSA-N 0 3 213.284 2.397 10 0 BEAEHN CC(C)(C)N1CCC[C@H]1c1ncccn1 ZINC000616608328 350804504 /nfs/dbraw/zinc/80/45/04/350804504.db2.gz SBFJZUVCPMQCRN-JTQLQIEISA-N 0 3 205.305 2.412 10 0 BEAEHN OCCN1CC[C@@H](c2cncc3ccccc32)C1 ZINC000616614377 350832028 /nfs/dbraw/zinc/83/20/28/350832028.db2.gz LTXYKAYGJWSUJN-CYBMUJFWSA-N 0 3 242.322 2.016 10 0 BEAEHN CC(C)N1CCCC[C@@H]1c1ccncn1 ZINC000616614517 350834480 /nfs/dbraw/zinc/83/44/80/350834480.db2.gz TUPWKEHZNLCPBY-GFCCVEGCSA-N 0 3 205.305 2.412 10 0 BEAEHN Brc1ncccc1[C@@H]1CCCN1 ZINC000003732499 350869854 /nfs/dbraw/zinc/86/98/54/350869854.db2.gz SNCRTOHSYUOHKO-QMMMGPOBSA-N 0 3 227.105 2.269 10 0 BEAEHN CC(C)N1CCC[C@H](Nc2ccccn2)C1 ZINC000616618460 350912938 /nfs/dbraw/zinc/91/29/38/350912938.db2.gz VRIQDPHXNJIQTF-LBPRGKRZSA-N 0 3 219.332 2.366 10 0 BEAEHN c1nnoc1[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000616618729 350924953 /nfs/dbraw/zinc/92/49/53/350924953.db2.gz USBYQCFXRSTGAF-CYBMUJFWSA-N 0 3 243.310 2.449 10 0 BEAEHN NCc1cccc(F)c1OC(F)(F)F ZINC000306718167 350878155 /nfs/dbraw/zinc/87/81/55/350878155.db2.gz IMRWRNOGFBFMQH-UHFFFAOYSA-N 0 3 209.142 2.183 10 0 BEAEHN CN[C@H]1COc2c1cc(Cl)cc2F ZINC000306721325 350888776 /nfs/dbraw/zinc/88/87/76/350888776.db2.gz DPMFSTXKESTUDQ-QMMMGPOBSA-N 0 3 201.628 2.132 10 0 BEAEHN Cc1occc1C(=O)Nc1ccccc1CN ZINC000070163147 180539360 /nfs/dbraw/zinc/53/93/60/180539360.db2.gz QJJRDRBVZSJVHZ-UHFFFAOYSA-N 0 3 230.267 2.299 10 0 BEAEHN Cc1cc([C@@H](N)[C@H]2CCSC2)sn1 ZINC000306769237 351001799 /nfs/dbraw/zinc/00/17/99/351001799.db2.gz ATTZLICAFWHDIB-CBAPKCEASA-N 0 3 214.359 2.204 10 0 BEAEHN Cc1cc([C@H](N)[C@H]2CCSC2)sn1 ZINC000306769245 351001940 /nfs/dbraw/zinc/00/19/40/351001940.db2.gz ATTZLICAFWHDIB-IONNQARKSA-N 0 3 214.359 2.204 10 0 BEAEHN CO[C@@H](C)[C@]1(C)NCCc2sccc21 ZINC000306770573 351003443 /nfs/dbraw/zinc/00/34/43/351003443.db2.gz FXVRGCLXMRXQKR-KWQFWETISA-N 0 3 211.330 2.144 10 0 BEAEHN Cc1nc([C@H](N)[C@H]2CCCS2)cs1 ZINC000306804127 351058797 /nfs/dbraw/zinc/05/87/97/351058797.db2.gz XAOOLJQINMBSKW-BDAKNGLRSA-N 0 3 214.359 2.347 10 0 BEAEHN Cc1nc([C@@H](N)[C@H]2CCCS2)cs1 ZINC000306804130 351058901 /nfs/dbraw/zinc/05/89/01/351058901.db2.gz XAOOLJQINMBSKW-RKDXNWHRSA-N 0 3 214.359 2.347 10 0 BEAEHN Cc1cnc(Cl)cc1O[C@H]1CCN(C)C1 ZINC000306808012 351060439 /nfs/dbraw/zinc/06/04/39/351060439.db2.gz NUOKTURGQJQCBV-VIFPVBQESA-N 0 3 226.707 2.126 10 0 BEAEHN Cc1ncc(CN2C[C@@H]3CCCCN3C[C@H]2C)o1 ZINC000398089639 363001961 /nfs/dbraw/zinc/00/19/61/363001961.db2.gz WWIDHBJFSRBDTK-YPMHNXCESA-N 0 3 249.358 2.042 10 0 BEAEHN CCN1CCN[C@@H](c2cccc3cccnc32)C1 ZINC000616632028 351109934 /nfs/dbraw/zinc/10/99/34/351109934.db2.gz KDOSDQRAVGLDAS-CQSZACIVSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCN[C@@H](c2ccc3ccccc3n2)C1 ZINC000616632759 351113489 /nfs/dbraw/zinc/11/34/89/351113489.db2.gz ZCVJAQPHJVRENZ-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CN1CCCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616622258 351086168 /nfs/dbraw/zinc/08/61/68/351086168.db2.gz XAOAFDXWJUTVCN-NSHDSACASA-N 0 3 242.363 2.386 10 0 BEAEHN CN1CCCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616624116 351091217 /nfs/dbraw/zinc/09/12/17/351091217.db2.gz XAOAFDXWJUTVCN-LLVKDONJSA-N 0 3 242.363 2.386 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2cccc(N)n2)C1 ZINC000616653896 351194954 /nfs/dbraw/zinc/19/49/54/351194954.db2.gz YHHXPSYTGFZEON-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN CCN1CCCOC[C@@H]1c1ccccc1N ZINC000616644667 351162321 /nfs/dbraw/zinc/16/23/21/351162321.db2.gz CCESZXWYZOZVBD-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)(C)N1CCCOC[C@@H]1c1cccc(N)n1 ZINC000616645184 351166918 /nfs/dbraw/zinc/16/69/18/351166918.db2.gz HPVBXQBPROQQLT-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2cnco2)C1 ZINC000616650070 351173324 /nfs/dbraw/zinc/17/33/24/351173324.db2.gz SCHWPYKIMYBYDU-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN c1cnc2cc([C@H]3COCCCN3)ccc2c1 ZINC000616647444 351174160 /nfs/dbraw/zinc/17/41/60/351174160.db2.gz YRKFQMHECDOKHS-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN CCN1CCCO[C@H](c2ccccc2N)C1 ZINC000616649840 351180057 /nfs/dbraw/zinc/18/00/57/351180057.db2.gz LDWCMCVUKGKZQO-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CCN1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616649646 351180329 /nfs/dbraw/zinc/18/03/29/351180329.db2.gz PHFGQKJDPXPISS-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CNc1cccc([C@H]2CN(C)CCCO2)c1 ZINC000616651652 351183469 /nfs/dbraw/zinc/18/34/69/351183469.db2.gz IBPCBFHEDNYVSX-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CNc1ccccc1[C@@H]1CN(C)CCCO1 ZINC000616650580 351184478 /nfs/dbraw/zinc/18/44/78/351184478.db2.gz DCCJVMAUZCKHKY-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CCN1CCCC[C@@H](OC(F)(F)F)C1 ZINC000616652000 351190029 /nfs/dbraw/zinc/19/00/29/351190029.db2.gz CPMSXUMKXLKXOW-MRVPVSSYSA-N 0 3 211.227 2.397 10 0 BEAEHN CCN1CCCO[C@@H](c2ccc(N)cc2)C1 ZINC000616652084 351190195 /nfs/dbraw/zinc/19/01/95/351190195.db2.gz CZFYKLPFTALVES-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc2cccnc2c1 ZINC000616637214 351133759 /nfs/dbraw/zinc/13/37/59/351133759.db2.gz JOJWNMWDSKOJNN-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCNC[C@H]1c1cc2ccccc2cn1 ZINC000616638522 351139470 /nfs/dbraw/zinc/13/94/70/351139470.db2.gz WRIYDXCEHDZQHP-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)N1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616659044 351206492 /nfs/dbraw/zinc/20/64/92/351206492.db2.gz BHOKSDFGXGBSMP-HNNXBMFYSA-N 0 3 249.354 2.003 10 0 BEAEHN CCN1CCOC[C@@H](c2cccc(OC)c2)C1 ZINC000616661227 351213932 /nfs/dbraw/zinc/21/39/32/351213932.db2.gz NAYDIOZZGWPVMC-ZDUSSCGKSA-N 0 3 235.327 2.131 10 0 BEAEHN Fc1cc2c(cc1Br)OCCNC2 ZINC000168091115 351291015 /nfs/dbraw/zinc/29/10/15/351291015.db2.gz MIWQVQLPZSVMQY-UHFFFAOYSA-N 0 3 246.079 2.070 10 0 BEAEHN Cc1cc(CNCC2C[C@H](C)O[C@@H](C)C2)on1 ZINC000631126889 351377914 /nfs/dbraw/zinc/37/79/14/351377914.db2.gz NCNSVACMGGRYLP-QWRGUYRKSA-N 0 3 238.331 2.276 10 0 BEAEHN Cn1cc([C@H](N)c2ccc(F)cc2Cl)cn1 ZINC000034957646 351362742 /nfs/dbraw/zinc/36/27/42/351362742.db2.gz SUCAIEOZLWTZAC-NSHDSACASA-N 0 3 239.681 2.261 10 0 BEAEHN Cn1cc([C@@H](N)c2cccc(Cl)c2)cn1 ZINC000034957677 351362749 /nfs/dbraw/zinc/36/27/49/351362749.db2.gz NBALQFDCQRRWCN-NSHDSACASA-N 0 3 221.691 2.122 10 0 BEAEHN Cc1cc(C)cc([C@@H](N)c2cnn(C)c2)c1 ZINC000034957651 351363153 /nfs/dbraw/zinc/36/31/53/351363153.db2.gz KCYCGCUHAWAGCN-CYBMUJFWSA-N 0 3 215.300 2.085 10 0 BEAEHN Cn1cc([C@@H](N)c2ccc(F)cc2Cl)cn1 ZINC000034957647 351363186 /nfs/dbraw/zinc/36/31/86/351363186.db2.gz SUCAIEOZLWTZAC-LLVKDONJSA-N 0 3 239.681 2.261 10 0 BEAEHN C[C@@H]1CSC[C@]12N[C@H](C)CCS2 ZINC000307108422 351483295 /nfs/dbraw/zinc/48/32/95/351483295.db2.gz JFVIMAHFOPSVBU-IWSPIJDZSA-N 0 3 203.376 2.181 10 0 BEAEHN CC(C)Nc1cc(CN)c(Br)cn1 ZINC000307190610 351591971 /nfs/dbraw/zinc/59/19/71/351591971.db2.gz XYTJBLHICXPJRJ-UHFFFAOYSA-N 0 3 244.136 2.123 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000637917303 351792398 /nfs/dbraw/zinc/79/23/98/351792398.db2.gz INEZSNGVEHOVAN-STQMWFEESA-N 0 3 248.370 2.479 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000637904264 351774140 /nfs/dbraw/zinc/77/41/40/351774140.db2.gz IAIDEWCZVWDXDV-AAEUAGOBSA-N 0 3 234.343 2.252 10 0 BEAEHN Cc1sc(C2CSC2)nc1[C@H](C)N ZINC000404707957 351860190 /nfs/dbraw/zinc/86/01/90/351860190.db2.gz BSSPENQOXXSRFZ-YFKPBYRVSA-N 0 3 214.359 2.302 10 0 BEAEHN N[C@H](c1cnsc1)C1CCSCC1 ZINC000404731546 351994639 /nfs/dbraw/zinc/99/46/39/351994639.db2.gz RCPTWQIFIAURQS-VIFPVBQESA-N 0 3 214.359 2.286 10 0 BEAEHN C1CC1NC1=N[C@@H](C2CCCC2)CS1 ZINC000307330618 352032216 /nfs/dbraw/zinc/03/22/16/352032216.db2.gz NTTNRCALIIWVAC-SNVBAGLBSA-N 0 3 210.346 2.400 10 0 BEAEHN COc1cc([C@@H](N)[C@H]2CC2(C)C)sn1 ZINC000307339618 352081633 /nfs/dbraw/zinc/08/16/33/352081633.db2.gz SAJFIJSIWSJYMQ-MUWHJKNJSA-N 0 3 212.318 2.198 10 0 BEAEHN C[C@@H](N[C@H](C)C1CC1)c1nnc2n1CCCCC2 ZINC000037140746 358468259 /nfs/dbraw/zinc/46/82/59/358468259.db2.gz NTNKWPWOJOATRH-GHMZBOCLSA-N 0 3 248.374 2.454 10 0 BEAEHN N[C@H]1COc2c1c(Cl)ccc2Cl ZINC000035654276 363145806 /nfs/dbraw/zinc/14/58/06/363145806.db2.gz ZUKFBYMLGJQSCE-LURJTMIESA-N 0 3 204.056 2.386 10 0 BEAEHN CCNCc1coc(Br)c1 ZINC000307374826 352471087 /nfs/dbraw/zinc/47/10/87/352471087.db2.gz UIWDOSWCVDDHME-UHFFFAOYSA-N 0 3 204.067 2.152 10 0 BEAEHN Cc1csc(CNC2=NCCS2)c1 ZINC000307384683 352511784 /nfs/dbraw/zinc/51/17/84/352511784.db2.gz JRFRQVQIRXEGGG-UHFFFAOYSA-N 0 3 212.343 2.249 10 0 BEAEHN C[C@@H]1Oc2c(cc(Cl)cc2F)[C@@H]1N ZINC000307414504 352588758 /nfs/dbraw/zinc/58/87/58/352588758.db2.gz JZSVQOBLPJCAGD-RNHFCUEFSA-N 0 3 201.628 2.260 10 0 BEAEHN Cc1cc([C@H](N)[C@]2(C)C[C@@H]2F)sn1 ZINC000307436305 352595942 /nfs/dbraw/zinc/59/59/42/352595942.db2.gz SWOMZABUAJWAIV-XHNCKOQMSA-N 0 3 200.282 2.199 10 0 BEAEHN CCN1CCC[C@H](Nc2cccc(C)n2)C1 ZINC000040503205 352598082 /nfs/dbraw/zinc/59/80/82/352598082.db2.gz ZHMBZRAUZUGJKN-LBPRGKRZSA-N 0 3 219.332 2.286 10 0 BEAEHN NCc1ccc(F)c(OC(F)F)c1F ZINC000307514097 352632296 /nfs/dbraw/zinc/63/22/96/352632296.db2.gz RCNPRMAIPTUEFN-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN CC[C@@H]1CS[C@@]2(CSC[C@H]2C)N1 ZINC000307525927 352635125 /nfs/dbraw/zinc/63/51/25/352635125.db2.gz HEYJKZZDZKZWKA-IWSPIJDZSA-N 0 3 203.376 2.181 10 0 BEAEHN N[C@@H](c1ccns1)C1CC(F)(F)C1 ZINC000307691223 352936346 /nfs/dbraw/zinc/93/63/46/352936346.db2.gz ONYWUYDJJFRYRX-SSDOTTSWSA-N 0 3 204.245 2.188 10 0 BEAEHN Cn1nccc1C1CCN(Cc2ccco2)CC1 ZINC000092810498 180833027 /nfs/dbraw/zinc/83/30/27/180833027.db2.gz KPVZTOGJCILETD-UHFFFAOYSA-N 0 3 245.326 2.393 10 0 BEAEHN CC[C@@]1(C(=O)c2cc(C)ns2)CCCN1 ZINC000307718047 353108651 /nfs/dbraw/zinc/10/86/51/353108651.db2.gz OGCZIIJGLFZALV-NSHDSACASA-N 0 3 224.329 2.166 10 0 BEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CCCCC1 ZINC000118753949 188073659 /nfs/dbraw/zinc/07/36/59/188073659.db2.gz FQZSISBDNBSVSI-ZDUSSCGKSA-N 0 3 238.375 2.262 10 0 BEAEHN CC(C)N(C[C@@H](O)C(F)(F)F)C1CCC1 ZINC000121623878 188075910 /nfs/dbraw/zinc/07/59/10/188075910.db2.gz CUOAWKOTJWZPFC-SECBINFHSA-N 0 3 225.254 2.173 10 0 BEAEHN CC(C)N(C)c1nccc(CN)c1Cl ZINC000232640540 353152136 /nfs/dbraw/zinc/15/21/36/353152136.db2.gz PFADIKDVUXZDEB-UHFFFAOYSA-N 0 3 213.712 2.038 10 0 BEAEHN C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2CO)c2nccn21 ZINC000329285668 538108847 /nfs/dbraw/zinc/10/88/47/538108847.db2.gz OYEOJBASMVQAPI-XQHKEYJVSA-N 0 3 249.358 2.030 10 0 BEAEHN CC(=O)CCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106211796 188081560 /nfs/dbraw/zinc/08/15/60/188081560.db2.gz ALVOVUBWVAQRQL-ZDUSSCGKSA-N 0 3 249.358 2.153 10 0 BEAEHN C[C@@H]1C[C@H](NC[C@@H]2CCCC[C@@H]2O)c2nccn21 ZINC000329303897 538108905 /nfs/dbraw/zinc/10/89/05/538108905.db2.gz WZOYEJGEBVSORS-VOAKCMCISA-N 0 3 249.358 2.030 10 0 BEAEHN N[C@H](CN1CCCCCC1=O)c1ccccc1 ZINC000019277583 188107376 /nfs/dbraw/zinc/10/73/76/188107376.db2.gz URSHDPGSRGCKQO-CYBMUJFWSA-N 0 3 232.327 2.089 10 0 BEAEHN CN1CCC[C@@H](COc2ccc(F)cc2N)C1 ZINC000020352135 188108663 /nfs/dbraw/zinc/10/86/63/188108663.db2.gz RAIIJUTZJDGQSB-SNVBAGLBSA-N 0 3 238.306 2.129 10 0 BEAEHN C[C@@H](N)c1ccccc1NC(=O)C1CCC1 ZINC000022162094 188109533 /nfs/dbraw/zinc/10/95/33/188109533.db2.gz BYTPYOUPHFFICA-SECBINFHSA-N 0 3 218.300 2.445 10 0 BEAEHN C(=C/c1ccccc1)\CNC1=NCCS1 ZINC000083349483 188123124 /nfs/dbraw/zinc/12/31/24/188123124.db2.gz GGTAMUPWUYVUPL-QPJJXVBHSA-N 0 3 218.325 2.392 10 0 BEAEHN CC(C)N1CCNC[C@@H]1c1ccc(F)cc1 ZINC000077334342 188116851 /nfs/dbraw/zinc/11/68/51/188116851.db2.gz FGNQSLKKQCLLTG-CYBMUJFWSA-N 0 3 222.307 2.180 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)[C@H](N)CC[S@]2=O ZINC000040976363 188118337 /nfs/dbraw/zinc/11/83/37/188118337.db2.gz NMJQOQDXRVDCRT-BZNIZROVSA-N 0 3 237.368 2.495 10 0 BEAEHN CC(C)(C)c1cn2c(CN)csc2n1 ZINC000040441483 188118554 /nfs/dbraw/zinc/11/85/54/188118554.db2.gz QBXWDZAGKQFPSZ-UHFFFAOYSA-N 0 3 209.318 2.152 10 0 BEAEHN CCCn1cnnc1[C@H](N)C1CCCCC1 ZINC000054497917 188127351 /nfs/dbraw/zinc/12/73/51/188127351.db2.gz SEIOEBWGTOSVMU-LLVKDONJSA-N 0 3 222.336 2.268 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CC1CCC1 ZINC000638996524 353232998 /nfs/dbraw/zinc/23/29/98/353232998.db2.gz MRGNZKXEKQVYPZ-HOSYDEDBSA-N 0 3 226.364 2.055 10 0 BEAEHN Cc1cc(NC(=O)[C@H](N)CC(C)C)cs1 ZINC000638994138 353225620 /nfs/dbraw/zinc/22/56/20/353225620.db2.gz JUSBAZNMBMGRNP-SNVBAGLBSA-N 0 3 226.345 2.368 10 0 BEAEHN CC(C)(N)C(=O)Cc1cc(F)ccc1Cl ZINC000082348270 188173407 /nfs/dbraw/zinc/17/34/07/188173407.db2.gz BDQANEKTJQJSMZ-UHFFFAOYSA-N 0 3 229.682 2.328 10 0 BEAEHN CC(C)(N)c1nc2cc(F)c(F)cc2[nH]1 ZINC000040911242 188149746 /nfs/dbraw/zinc/14/97/46/188149746.db2.gz DCGRTSBGXPIQNL-UHFFFAOYSA-N 0 3 211.215 2.035 10 0 BEAEHN C[C@@H]1CC(CNCc2cscn2)C[C@@H](C)O1 ZINC000282055815 188222987 /nfs/dbraw/zinc/22/29/87/188222987.db2.gz AZCYHSZIRQZYGD-NXEZZACHSA-N 0 3 240.372 2.436 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccccn1 ZINC000252661889 353303648 /nfs/dbraw/zinc/30/36/48/353303648.db2.gz QUZNMLQGXXSRGV-HIFRSBDPSA-N 0 3 245.370 2.140 10 0 BEAEHN C(NC1=NC2(CCCC2)CS1)C1CC1 ZINC000053044998 353371591 /nfs/dbraw/zinc/37/15/91/353371591.db2.gz REDNPZWTPAUUAE-UHFFFAOYSA-N 0 3 210.346 2.402 10 0 BEAEHN C(=C1CNC1)c1nc2ccccc2s1 ZINC000129593832 353746863 /nfs/dbraw/zinc/74/68/63/353746863.db2.gz IHJAHRSWWDXMQH-UHFFFAOYSA-N 0 3 202.282 2.283 10 0 BEAEHN C[C@@H]1CC(CNCc2ccns2)C[C@@H](C)O1 ZINC000639136875 353846768 /nfs/dbraw/zinc/84/67/68/353846768.db2.gz XBUZBBOEYXGCJS-NXEZZACHSA-N 0 3 240.372 2.436 10 0 BEAEHN CCC[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113229787 354295199 /nfs/dbraw/zinc/29/51/99/354295199.db2.gz XGBNUFBLPAXUHJ-RWMBFGLXSA-N 0 3 238.375 2.118 10 0 BEAEHN C[C@@H]1CN(C)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000390255416 354388019 /nfs/dbraw/zinc/38/80/19/354388019.db2.gz WFNALLOMRMDNSP-MFKMUULPSA-N 0 3 239.746 2.499 10 0 BEAEHN CCC(=O)CCCN1CCS[C@@H](C)C1 ZINC000232861118 363387305 /nfs/dbraw/zinc/38/73/05/363387305.db2.gz VWTQJZYVERCPPO-JTQLQIEISA-N 0 3 215.362 2.183 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cncn1CC ZINC000233307471 363398804 /nfs/dbraw/zinc/39/88/04/363398804.db2.gz HGTMIZKKYZJFNZ-ZYHUDNBSSA-N 0 3 207.321 2.181 10 0 BEAEHN N=C(N)c1nccc2cc(Cl)ccc21 ZINC000082768614 181198051 /nfs/dbraw/zinc/19/80/51/181198051.db2.gz RUMJTMGUOFDDIR-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN CC1Oc2cc(F)c(Cl)cc2C1=O ZINC000134373798 355589759 /nfs/dbraw/zinc/58/97/59/355589759.db2.gz QIXCQYWPKWRJNK-SCSAIBSYSA-N 0 3 200.596 2.443 10 0 BEAEHN C[C@@H]1Oc2cc(F)c(Cl)cc2[C@@H]1N ZINC000134375376 355593776 /nfs/dbraw/zinc/59/37/76/355593776.db2.gz FGGCTPMOWSXBBT-AJAUBTJJSA-N 0 3 201.628 2.260 10 0 BEAEHN C[C@H]1Oc2cc(F)c(Cl)cc2[C@H]1N ZINC000134375312 355594171 /nfs/dbraw/zinc/59/41/71/355594171.db2.gz FGGCTPMOWSXBBT-MOFOKWOHSA-N 0 3 201.628 2.260 10 0 BEAEHN NC(=O)C1(NCc2cccs2)CCCCC1 ZINC000037946403 181215394 /nfs/dbraw/zinc/21/53/94/181215394.db2.gz NBEPFOSEIXJHSY-UHFFFAOYSA-N 0 3 238.356 2.026 10 0 BEAEHN C[C@H](NC[C@H](O)C(C)(C)C)c1ccco1 ZINC000167641232 134153266 /nfs/dbraw/zinc/15/32/66/134153266.db2.gz DJFZDJKVLQHAFH-ONGXEEELSA-N 0 3 211.305 2.337 10 0 BEAEHN C[C@@H](NC[C@@H](O)C(C)(C)C)c1ccco1 ZINC000167641550 134153144 /nfs/dbraw/zinc/15/31/44/134153144.db2.gz DJFZDJKVLQHAFH-MWLCHTKSSA-N 0 3 211.305 2.337 10 0 BEAEHN CC(C)(C)OC(=O)[C@@H]1C[Si]2(CCCC2)CN1 ZINC000675061326 538487206 /nfs/dbraw/zinc/48/72/06/538487206.db2.gz ZDEXIQVWWSXHHF-JTQLQIEISA-N 0 3 241.407 2.082 10 0 BEAEHN CCc1cn2c(n1)[C@H](C1CCC1)NCCC2 ZINC000675067875 538495825 /nfs/dbraw/zinc/49/58/25/538495825.db2.gz KONMKWVGYSEZMU-LBPRGKRZSA-N 0 3 219.332 2.280 10 0 BEAEHN COc1nc2c(cc(F)c(F)c2F)cc1CN ZINC000675069822 538498897 /nfs/dbraw/zinc/49/88/97/538498897.db2.gz KTPSAFFZCIWLLX-UHFFFAOYSA-N 0 3 242.200 2.119 10 0 BEAEHN COc1nc2c(ccc(C)c2F)cc1CN ZINC000675070088 538500516 /nfs/dbraw/zinc/50/05/16/538500516.db2.gz PESJVCWIMRBERR-UHFFFAOYSA-N 0 3 220.247 2.150 10 0 BEAEHN CCc1cn2c(n1)[C@@H](CC1CC1)NCCC2 ZINC000675070028 538500543 /nfs/dbraw/zinc/50/05/43/538500543.db2.gz ZTUJTGXLDJYVQV-GFCCVEGCSA-N 0 3 219.332 2.280 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C(C)C ZINC000167766498 134153819 /nfs/dbraw/zinc/15/38/19/134153819.db2.gz LQVXGMSKJZTRLH-QWRGUYRKSA-N 0 3 236.363 2.310 10 0 BEAEHN CC(C)(C)OC(=O)c1ccc2c(c1)CCNC2 ZINC000675076414 538510619 /nfs/dbraw/zinc/51/06/19/538510619.db2.gz WOTYINDJJXTATE-UHFFFAOYSA-N 0 3 233.311 2.288 10 0 BEAEHN O[C@H]1C=C(c2cscc2C(F)F)CNC1 ZINC000675078302 538515666 /nfs/dbraw/zinc/51/56/66/538515666.db2.gz WZZIPZDNSQEJIY-ZETCQYMHSA-N 0 3 231.267 2.033 10 0 BEAEHN CC(C)CC[C@@H]1NCCc2ncn(C)c21 ZINC000220260835 538539846 /nfs/dbraw/zinc/53/98/46/538539846.db2.gz IASMAIWZLBPUKT-JTQLQIEISA-N 0 3 207.321 2.043 10 0 BEAEHN CC(C)CC[C@@]1(C)NCCc2nc[nH]c21 ZINC000220260280 538539865 /nfs/dbraw/zinc/53/98/65/538539865.db2.gz CSWBFTQKAKIGRX-GFCCVEGCSA-N 0 3 207.321 2.207 10 0 BEAEHN Cc1cc(C)c(CN[C@@H]2CCCC[C@H]2O)cn1 ZINC000397036398 357486912 /nfs/dbraw/zinc/48/69/12/357486912.db2.gz SCVYSUYDEFYZKY-ZIAGYGMSSA-N 0 3 234.343 2.092 10 0 BEAEHN CSCCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000085697060 357554588 /nfs/dbraw/zinc/55/45/88/357554588.db2.gz QKKJJDPGHJXLNK-CHWSQXEVSA-N 0 3 242.432 2.298 10 0 BEAEHN C[C@@H]1CC[C@@H](CN2CCC[C@@H]2c2cnn(C)c2)O1 ZINC000188576102 357562966 /nfs/dbraw/zinc/56/29/66/357562966.db2.gz GRUVHJDPCXUKDL-KWCYVHTRSA-N 0 3 249.358 2.125 10 0 BEAEHN C[C@@H]1C(=O)NCCCN1CC1CCCCCC1 ZINC000189072391 357603478 /nfs/dbraw/zinc/60/34/78/357603478.db2.gz XSRKDDJBQURWLQ-GFCCVEGCSA-N 0 3 238.375 2.167 10 0 BEAEHN c1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC12CCCC2 ZINC000189147523 357606683 /nfs/dbraw/zinc/60/66/83/357606683.db2.gz NCKSIESBZUQBSN-NWDGAFQWSA-N 0 3 246.358 2.425 10 0 BEAEHN CCC1(C)CCN([C@@H]2CCNC[C@@H]2F)CC1 ZINC000685948675 538891027 /nfs/dbraw/zinc/89/10/27/538891027.db2.gz SVDTUHWELQOJEN-NWDGAFQWSA-N 0 3 228.355 2.199 10 0 BEAEHN CC(C)Oc1cc(C2CCN(C)CC2)ncc1N ZINC000215976615 357680859 /nfs/dbraw/zinc/68/08/59/357680859.db2.gz DFONSRBKCLQCSF-UHFFFAOYSA-N 0 3 249.358 2.260 10 0 BEAEHN CC1(C)C[C@H]1C(=O)Nc1cccc2c1CNCC2 ZINC000232786055 357683974 /nfs/dbraw/zinc/68/39/74/357683974.db2.gz YEMXXULLEAECRR-LBPRGKRZSA-N 0 3 244.338 2.317 10 0 BEAEHN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1cn[nH]n1 ZINC000398359081 357884391 /nfs/dbraw/zinc/88/43/91/357884391.db2.gz ISRBCLKHYZCBGF-BDAKNGLRSA-N 0 3 248.252 2.015 10 0 BEAEHN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1c[nH]nn1 ZINC000398359081 357884406 /nfs/dbraw/zinc/88/44/06/357884406.db2.gz ISRBCLKHYZCBGF-BDAKNGLRSA-N 0 3 248.252 2.015 10 0 BEAEHN Cc1cccc(OCCN2CC[C@@H](O)C[C@H]2C)c1 ZINC000639940762 357956314 /nfs/dbraw/zinc/95/63/14/357956314.db2.gz OXAPVVOIZTWPFJ-ZIAGYGMSSA-N 0 3 249.354 2.219 10 0 BEAEHN CCc1ccccc1CNCc1cn[nH]c1 ZINC000052202917 358147857 /nfs/dbraw/zinc/14/78/57/358147857.db2.gz JXDDOQPUJDAJNX-UHFFFAOYSA-N 0 3 215.300 2.262 10 0 BEAEHN Cc1ccc(C)c2c1OC[C@H]([C@H](C)N(C)C)O2 ZINC000584615051 358279311 /nfs/dbraw/zinc/27/93/11/358279311.db2.gz IOCBSRRBFCLPNI-NWDGAFQWSA-N 0 3 235.327 2.393 10 0 BEAEHN NC[C@@H]1CSC(SCc2ccccc2)=N1 ZINC000584610416 358273031 /nfs/dbraw/zinc/27/30/31/358273031.db2.gz YZOGTSKLJGNIDT-SNVBAGLBSA-N 0 3 238.381 2.350 10 0 BEAEHN CN(C)[C@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000584625403 358294144 /nfs/dbraw/zinc/29/41/44/358294144.db2.gz OBINUSWGLHKRHV-KGLIPLIRSA-N 0 3 219.328 2.338 10 0 BEAEHN C[C@H]1Cn2ncc(-c3ccc(F)cc3F)c2CN1 ZINC000584648267 358302894 /nfs/dbraw/zinc/30/28/94/358302894.db2.gz FFCZJRFUQVSEBX-QMMMGPOBSA-N 0 3 249.264 2.320 10 0 BEAEHN CCN(CC)C[C@@H]1NCCc2ccccc21 ZINC000043595895 358383705 /nfs/dbraw/zinc/38/37/05/358383705.db2.gz UBXTZNJBPNHZMM-AWEZNQCLSA-N 0 3 218.344 2.215 10 0 BEAEHN CC[C@H]1CCCC[C@H]1NCc1nccn1C ZINC000042579261 358526986 /nfs/dbraw/zinc/52/69/86/358526986.db2.gz WTWJYJPWGDHOOR-NWDGAFQWSA-N 0 3 221.348 2.479 10 0 BEAEHN COc1c(C)cc(CN(C)C[C@@H](C)O)cc1C ZINC000130655808 358638691 /nfs/dbraw/zinc/63/86/91/358638691.db2.gz UODVTWMSQXDJFA-GFCCVEGCSA-N 0 3 237.343 2.125 10 0 BEAEHN CC(C)[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000130873872 358651091 /nfs/dbraw/zinc/65/10/91/358651091.db2.gz GVEROQBXUHZDIB-WDEREUQCSA-N 0 3 236.363 2.310 10 0 BEAEHN CCc1ccc(CN[C@H]2CCCN(CC)C2)o1 ZINC000051724675 358759985 /nfs/dbraw/zinc/75/99/85/358759985.db2.gz JUENAXYMLIVDPO-LBPRGKRZSA-N 0 3 236.359 2.416 10 0 BEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]1C ZINC000175835848 134289088 /nfs/dbraw/zinc/28/90/88/134289088.db2.gz XAUPVQSSBDJAAR-OLZOCXBDSA-N 0 3 238.375 2.260 10 0 BEAEHN CCNCc1cc(-c2ccccc2)n[nH]1 ZINC000050479006 358730257 /nfs/dbraw/zinc/73/02/57/358730257.db2.gz IHHYPAADWKMNDN-UHFFFAOYSA-N 0 3 201.273 2.186 10 0 BEAEHN COc1ccc(C)cc1CN[C@@H]1CCO[C@@H]1C ZINC000134242584 358784162 /nfs/dbraw/zinc/78/41/62/358784162.db2.gz VFJULZNEUVWAFL-DGCLKSJQSA-N 0 3 235.327 2.271 10 0 BEAEHN COc1cccc(F)c1[C@@H](C)NCC(C)(C)O ZINC000134802568 358806875 /nfs/dbraw/zinc/80/68/75/358806875.db2.gz HPTIQWKNUGZNET-SECBINFHSA-N 0 3 241.306 2.256 10 0 BEAEHN CCCCN(C)CC(=O)NC1CCCCC1 ZINC000057832684 358907129 /nfs/dbraw/zinc/90/71/29/358907129.db2.gz NWNGAZFFSMUKMG-UHFFFAOYSA-N 0 3 226.364 2.167 10 0 BEAEHN CC[C@@H]1CS[C@@]2(CCS[C@H]2C)N1 ZINC000300353230 358971942 /nfs/dbraw/zinc/97/19/42/358971942.db2.gz VGVCEIYONFTCIS-DJLDLDEBSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@H]1CSC(N[C@H]2CCC(F)(F)C2)=N1 ZINC000306172334 358981860 /nfs/dbraw/zinc/98/18/60/358981860.db2.gz LFFGDIONWPEWJI-BQBZGAKWSA-N 0 3 220.288 2.255 10 0 BEAEHN C[C@@]1([C@@H](N)c2ccsn2)CCCS1 ZINC000306179921 358991713 /nfs/dbraw/zinc/99/17/13/358991713.db2.gz IYXJRSBOJJVFFN-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN COCCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000246471318 359111211 /nfs/dbraw/zinc/11/12/11/359111211.db2.gz ZWJDXYGWDNBOHP-CHWSQXEVSA-N 0 3 227.348 2.056 10 0 BEAEHN O=C1OCC[C@@H]1CCN1CCC[C@@H]1c1ccco1 ZINC000247008998 359182821 /nfs/dbraw/zinc/18/28/21/359182821.db2.gz RUXWAEPQWFTMFY-NWDGAFQWSA-N 0 3 249.310 2.370 10 0 BEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000246726815 359160334 /nfs/dbraw/zinc/16/03/34/359160334.db2.gz AJFOQEDAKZSYLT-GXTWGEPZSA-N 0 3 246.354 2.145 10 0 BEAEHN CC(C)(CO)[C@H](N)c1ccsc1Cl ZINC000306220328 359339943 /nfs/dbraw/zinc/33/99/43/359339943.db2.gz HTENTINAOLDQKT-SSDOTTSWSA-N 0 3 219.737 2.420 10 0 BEAEHN C[C@@H]1C[C@@H](C)N[C@H](C(=O)NCc2ccccc2)C1 ZINC000306278150 359508845 /nfs/dbraw/zinc/50/88/45/359508845.db2.gz VZSUZZDPIAQGDJ-BZPMIXESSA-N 0 3 246.354 2.079 10 0 BEAEHN C[C@@H]1C[C@H](C)N[C@H](C(=O)NCc2ccccc2)C1 ZINC000306278153 359509577 /nfs/dbraw/zinc/50/95/77/359509577.db2.gz VZSUZZDPIAQGDJ-DYEKYZERSA-N 0 3 246.354 2.079 10 0 BEAEHN FC(F)(F)[C@H]1CCC[C@@H]1NC1CSC1 ZINC000306268743 359490120 /nfs/dbraw/zinc/49/01/20/359490120.db2.gz KARHIILJFOJMIE-YUMQZZPRSA-N 0 3 225.279 2.422 10 0 BEAEHN N[C@H](c1ncncc1Br)C1CCC1 ZINC000306409699 359799314 /nfs/dbraw/zinc/79/93/14/359799314.db2.gz PQBCNBODOZFCDS-QMMMGPOBSA-N 0 3 242.120 2.039 10 0 BEAEHN CC(C)[C@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000087616903 359921251 /nfs/dbraw/zinc/92/12/51/359921251.db2.gz DYCKFETVYLPGLX-FZMZJTMJSA-N 0 3 246.354 2.034 10 0 BEAEHN C[C@@H]1CN[C@H]([C@H]2CCCSC2)S1 ZINC000306448745 360015900 /nfs/dbraw/zinc/01/59/00/360015900.db2.gz JORGHSWCVDBLQS-VGMNWLOBSA-N 0 3 203.376 2.181 10 0 BEAEHN Cc1c(CN[C@@H](C)CC(F)(F)F)cnn1C ZINC000090887891 360093857 /nfs/dbraw/zinc/09/38/57/360093857.db2.gz UVEYFDYQUFRALJ-ZETCQYMHSA-N 0 3 235.253 2.159 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)C(C)C ZINC000090227535 360066887 /nfs/dbraw/zinc/06/68/87/360066887.db2.gz UQEDXUHMBMSQKG-KOLCDFICSA-N 0 3 222.336 2.056 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C1CCC1 ZINC000090227134 360067316 /nfs/dbraw/zinc/06/73/16/360067316.db2.gz KOJUOGQFIDNDLE-CABZTGNLSA-N 0 3 234.347 2.200 10 0 BEAEHN C[C@H]1CN(C)C[C@@H]1Nc1ncc(Cl)s1 ZINC000306466074 360079889 /nfs/dbraw/zinc/07/98/89/360079889.db2.gz KHFPBAMUVZSYIL-BQBZGAKWSA-N 0 3 231.752 2.159 10 0 BEAEHN C[C@@H]1C[C@H](C)O[C@@](C)(C(F)(F)F)CN1 ZINC000306469138 360084117 /nfs/dbraw/zinc/08/41/17/360084117.db2.gz OWCAKYPGMBGYDK-GJMOJQLCSA-N 0 3 211.227 2.094 10 0 BEAEHN CNCc1cc(F)c(F)cc1Br ZINC000306518185 360345776 /nfs/dbraw/zinc/34/57/76/360345776.db2.gz BEXJTMUTUUBFJL-UHFFFAOYSA-N 0 3 236.059 2.447 10 0 BEAEHN C[C@@H]1CSCCN([C@@H]2CCCCC2=O)C1 ZINC000306566740 360445906 /nfs/dbraw/zinc/44/59/06/360445906.db2.gz YWZJTPXIUCZWDR-WDEREUQCSA-N 0 3 227.373 2.183 10 0 BEAEHN FCCCNC1=N[C@@H]2CCC[C@H]2CS1 ZINC000306545831 360414499 /nfs/dbraw/zinc/41/44/99/360414499.db2.gz WDSIOFDOKRRNEU-DTWKUNHWSA-N 0 3 216.325 2.207 10 0 BEAEHN CCN1C[C@H](Nc2ncccc2Cl)[C@@H](C)C1 ZINC000309483175 491149582 /nfs/dbraw/zinc/14/95/82/491149582.db2.gz UITQATLUZDSSCK-ONGXEEELSA-N 0 3 239.750 2.487 10 0 BEAEHN N[C@@H](CO)c1cc(Cl)sc1Cl ZINC000306598418 360518889 /nfs/dbraw/zinc/51/88/89/360518889.db2.gz XPKNIRMWWUDDGK-BYPYZUCNSA-N 0 3 212.101 2.047 10 0 BEAEHN OC[C@@H]1C[C@H]1NCc1ccccc1C1CC1 ZINC000309608713 491152301 /nfs/dbraw/zinc/15/23/01/491152301.db2.gz YTCZMSJAXOJHNH-GXTWGEPZSA-N 0 3 217.312 2.034 10 0 BEAEHN NC1(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CCCC1 ZINC000368396564 181324597 /nfs/dbraw/zinc/32/45/97/181324597.db2.gz DTQZMGPBTWRYNC-RYUDHWBXSA-N 0 3 236.359 2.049 10 0 BEAEHN C[C@H]1CCC[C@@H](NCc2cnns2)C1 ZINC000306617399 361173536 /nfs/dbraw/zinc/17/35/36/361173536.db2.gz QOGZDRMAFHGVOT-DTWKUNHWSA-N 0 3 211.334 2.206 10 0 BEAEHN CCn1nccc1-c1ccc(CN)s1 ZINC000070601157 361583841 /nfs/dbraw/zinc/58/38/41/361583841.db2.gz QOBITOCUWQKFEQ-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN C(SC1CCCCC1)[C@@H]1CNCCO1 ZINC000070649839 361696099 /nfs/dbraw/zinc/69/60/99/361696099.db2.gz ACQVLHFWTSVXRR-JTQLQIEISA-N 0 3 215.362 2.041 10 0 BEAEHN Cc1ccoc1-c1nc(C)c(CN)s1 ZINC000161254518 363855629 /nfs/dbraw/zinc/85/56/29/363855629.db2.gz VBUNOCGEAYGPQZ-UHFFFAOYSA-N 0 3 208.286 2.479 10 0 BEAEHN COC[C@]1(C2CC2)NCCc2ccsc21 ZINC000712514795 541307992 /nfs/dbraw/zinc/30/79/92/541307992.db2.gz HCWICHDLUHCMNV-GFCCVEGCSA-N 0 3 223.341 2.146 10 0 BEAEHN CN(C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000170868213 364546783 /nfs/dbraw/zinc/54/67/83/364546783.db2.gz DKSSMZLUGUBYSJ-CYBMUJFWSA-N 0 3 238.375 2.119 10 0 BEAEHN CC(C)C[C@H](N)C(=O)NCCC1CCCC1 ZINC000037740109 364573905 /nfs/dbraw/zinc/57/39/05/364573905.db2.gz VFAORCRPVXSXRL-LBPRGKRZSA-N 0 3 226.364 2.056 10 0 BEAEHN CC[C@@H](N[C@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898276 364721838 /nfs/dbraw/zinc/72/18/38/364721838.db2.gz VGTBPKKMYZCGST-DGCLKSJQSA-N 0 3 234.343 2.218 10 0 BEAEHN CC(C)(O)CCN[C@H]1CCc2c1cccc2O ZINC000296679354 364785402 /nfs/dbraw/zinc/78/54/02/364785402.db2.gz LGYWGXJESVZEBU-LBPRGKRZSA-N 0 3 235.327 2.130 10 0 BEAEHN c1cnc2cc(NC3=NCCC3)ccc2n1 ZINC000116826959 370841222 /nfs/dbraw/zinc/84/12/22/370841222.db2.gz XYVCWXFENBHDBC-UHFFFAOYSA-N 0 3 212.256 2.234 10 0 BEAEHN CC[C@@H](N[C@@H]1CCCNC1=O)c1ccsc1 ZINC000382104133 367485921 /nfs/dbraw/zinc/48/59/21/367485921.db2.gz JRNAQWTUIGPHFF-GHMZBOCLSA-N 0 3 238.356 2.067 10 0 BEAEHN COc1cc(CN[C@@H](C)C(C)C)sn1 ZINC000399186785 367893940 /nfs/dbraw/zinc/89/39/40/367893940.db2.gz VTZQZXACACXAPU-QMMMGPOBSA-N 0 3 214.334 2.286 10 0 BEAEHN CCC[C@H](N)C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000399512320 368170735 /nfs/dbraw/zinc/17/07/35/368170735.db2.gz LUJJCIBBFTXKJK-MNOVXSKESA-N 0 3 228.380 2.254 10 0 BEAEHN Cc1cc(C(C)C)nc(N2C[C@@H](C)NC[C@H]2C)n1 ZINC000253030540 368304046 /nfs/dbraw/zinc/30/40/46/368304046.db2.gz RCPMUFIOIHECJY-VXGBXAGGSA-N 0 3 248.374 2.095 10 0 BEAEHN CCO[C@H](C1=NC[C@@H](C)N1)c1ccccc1 ZINC000002010278 368734471 /nfs/dbraw/zinc/73/44/71/368734471.db2.gz QQBOGZMGQOAYOZ-PWSUYJOCSA-N 0 3 218.300 2.154 10 0 BEAEHN CN(C)Cc1ccc(C(F)(F)F)cc1N ZINC000115699735 369005219 /nfs/dbraw/zinc/00/52/19/369005219.db2.gz MHDJIYQJBYNNDA-UHFFFAOYSA-N 0 3 218.222 2.349 10 0 BEAEHN CCn1c(C)nnc1CNC1(C2CCC2)CCC1 ZINC000459774674 203365519 /nfs/dbraw/zinc/36/55/19/203365519.db2.gz PQGOSJWGHOLCNO-UHFFFAOYSA-N 0 3 248.374 2.419 10 0 BEAEHN C[C@@H](NCc1cncc(Cl)c1)[C@@H]1CCCO1 ZINC000621277315 370207608 /nfs/dbraw/zinc/20/76/08/370207608.db2.gz GWBHHIPNVUBFAQ-SKDRFNHKSA-N 0 3 240.734 2.392 10 0 BEAEHN COCc1nc(CNCC2CC(C)C2)cs1 ZINC000621383676 370326918 /nfs/dbraw/zinc/32/69/18/370326918.db2.gz PZNGTEXBPQGXAK-UHFFFAOYSA-N 0 3 240.372 2.425 10 0 BEAEHN N[C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000034977360 181560178 /nfs/dbraw/zinc/56/01/78/181560178.db2.gz MTGNVBIUWPKKSP-JTQLQIEISA-N 0 3 239.681 2.445 10 0 BEAEHN N[C@H](c1cccs1)c1ccc2c(c1)CC(=O)N2 ZINC000035380381 181562928 /nfs/dbraw/zinc/56/29/28/181562928.db2.gz ZCJIGIHWCHTMSY-ZDUSSCGKSA-N 0 3 244.319 2.291 10 0 BEAEHN N[C@@]1(c2cncnc2)CCCCc2ccccc21 ZINC000052887623 181604194 /nfs/dbraw/zinc/60/41/94/181604194.db2.gz KCFWVPIHTFNIES-OAHLLOKOSA-N 0 3 239.322 2.405 10 0 BEAEHN N[C@H]1CC(=O)c2cc(Br)ccc21 ZINC000057953133 181637800 /nfs/dbraw/zinc/63/78/00/181637800.db2.gz GJSLWXGTMFHIII-QMMMGPOBSA-N 0 3 226.073 2.035 10 0 BEAEHN Nc1cccc(Cl)c1OCCN1CCCC1 ZINC000040240053 181744768 /nfs/dbraw/zinc/74/47/68/181744768.db2.gz OTXYSDXOBWYYDO-UHFFFAOYSA-N 0 3 240.734 2.397 10 0 BEAEHN F[C@H]([C@@H]1CCCN1)C(F)(F)Br ZINC000225685608 371564391 /nfs/dbraw/zinc/56/43/91/371564391.db2.gz NDXYGLSYEZVOCJ-CRCLSJGQSA-N 0 3 232.043 2.064 10 0 BEAEHN CO[C@@H](CN)c1ccc(Br)c(F)c1 ZINC000161969044 371595957 /nfs/dbraw/zinc/59/59/57/371595957.db2.gz ZZBSHJGJNHDVME-VIFPVBQESA-N 0 3 248.095 2.234 10 0 BEAEHN C[C@]1(c2ccc(Br)o2)CCN1 ZINC000131870728 371699990 /nfs/dbraw/zinc/69/99/90/371699990.db2.gz AJSYELXGYYBZON-MRVPVSSYSA-N 0 3 216.078 2.251 10 0 BEAEHN NCc1c(Cl)scc1[C@@H]1CCOC1 ZINC000132798974 371923514 /nfs/dbraw/zinc/92/35/14/371923514.db2.gz IYWVLIPRBSZPAW-ZCFIWIBFSA-N 0 3 217.721 2.364 10 0 BEAEHN CN([C@@H]1CCSC1)[C@@H]1CCCCCC1=O ZINC000057896097 371927276 /nfs/dbraw/zinc/92/72/76/371927276.db2.gz TWJLVFWRYMETTG-GHMZBOCLSA-N 0 3 227.373 2.326 10 0 BEAEHN Cc1csc(Br)c1CN ZINC000132827777 371930963 /nfs/dbraw/zinc/93/09/63/371930963.db2.gz NCMXLGVJPZRGQH-UHFFFAOYSA-N 0 3 206.108 2.278 10 0 BEAEHN C[C@@H]1CCC[C@H]([C@@H](N)c2cnsn2)C1 ZINC000229060486 372113377 /nfs/dbraw/zinc/11/33/77/372113377.db2.gz UGMGHRWZFLFDBR-KHQFGBGNSA-N 0 3 211.334 2.364 10 0 BEAEHN COC(=O)[C@@H]1CN(Cc2ccccc2)CC1(C)C ZINC000004203354 372168225 /nfs/dbraw/zinc/16/82/25/372168225.db2.gz PETMLUYRRDBMHW-ZDUSSCGKSA-N 0 3 247.338 2.318 10 0 BEAEHN N=C(CNc1ccc(Cl)c(Cl)c1)NO ZINC000038816501 372780442 /nfs/dbraw/zinc/78/04/42/372780442.db2.gz DCWCTDKIOSOPPS-UHFFFAOYSA-N 0 3 234.086 2.361 10 0 BEAEHN CCN1CCC[C@H](Nc2nccs2)C1 ZINC000040503247 373364746 /nfs/dbraw/zinc/36/47/46/373364746.db2.gz XHQFQXQOGQGGRK-VIFPVBQESA-N 0 3 211.334 2.039 10 0 BEAEHN CCCCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000123620954 168853010 /nfs/dbraw/zinc/85/30/10/168853010.db2.gz CTYAPNOFBWFUBH-LBPRGKRZSA-N 0 3 243.395 2.062 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1ccc(Br)cn1 ZINC000069938797 374081848 /nfs/dbraw/zinc/08/18/48/374081848.db2.gz OAULTFZNJXCAPY-GMSGAONNSA-N 0 3 241.132 2.342 10 0 BEAEHN CNCc1cc(F)c(Br)cc1F ZINC000070022718 374112853 /nfs/dbraw/zinc/11/28/53/374112853.db2.gz HMHJCVXGMXIKSF-UHFFFAOYSA-N 0 3 236.059 2.447 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc(C)s1 ZINC000083346378 170000474 /nfs/dbraw/zinc/00/04/74/170000474.db2.gz NFUYPHIFHFZGEQ-JTQLQIEISA-N 0 3 210.346 2.023 10 0 BEAEHN CCOCCN(CC)c1cc(C)ccc1CN ZINC000104201785 170396653 /nfs/dbraw/zinc/39/66/53/170396653.db2.gz DWQNASJWHXOUNP-UHFFFAOYSA-N 0 3 236.359 2.317 10 0 BEAEHN OCC1(Nc2ccncc2)CCCCC1 ZINC000053096414 183040009 /nfs/dbraw/zinc/04/00/09/183040009.db2.gz JKFZTADNUFNQQL-UHFFFAOYSA-N 0 3 206.289 2.189 10 0 BEAEHN OCCC[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000006117793 183062624 /nfs/dbraw/zinc/06/26/24/183062624.db2.gz XQJOQBSYNVJACP-ZDUSSCGKSA-N 0 3 230.311 2.127 10 0 BEAEHN OC[C@@H]1CCCC[C@@H]1NCc1ccccc1F ZINC000219011561 183115145 /nfs/dbraw/zinc/11/51/45/183115145.db2.gz IDDOLDGPUGJXJA-JSGCOSHPSA-N 0 3 237.318 2.466 10 0 BEAEHN CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819602 169006441 /nfs/dbraw/zinc/00/64/41/169006441.db2.gz ODUOLRFETOJUTM-WCQYABFASA-N 0 3 249.358 2.196 10 0 BEAEHN CCCC[C@H](N)C(=O)NCc1ccc(CC)cc1 ZINC000083379007 169006944 /nfs/dbraw/zinc/00/69/44/169006944.db2.gz GHEHYZKIAXPGSG-AWEZNQCLSA-N 0 3 248.370 2.383 10 0 BEAEHN CCCCc1ccc(N2CC[C@@H](N)C2=O)cc1 ZINC000049648136 169020117 /nfs/dbraw/zinc/02/01/17/169020117.db2.gz MZUUDOMRRXRDPB-CYBMUJFWSA-N 0 3 232.327 2.093 10 0 BEAEHN CCCN(C(=O)C1(N)CCCCC1)C1CC1 ZINC000037097386 169040960 /nfs/dbraw/zinc/04/09/60/169040960.db2.gz VNIPZFSCXGMSQN-UHFFFAOYSA-N 0 3 224.348 2.049 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(F)c1 ZINC000049577629 183189410 /nfs/dbraw/zinc/18/94/10/183189410.db2.gz PDUBGGUAZAAGGU-QWHCGFSZSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@]12CCCC[C@@H]1CN(Cc1cccnc1)CC2 ZINC000019338998 183218349 /nfs/dbraw/zinc/21/83/49/183218349.db2.gz YLXVDEWNLHNDPV-HUUCEWRRSA-N 0 3 246.354 2.209 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1cccc(F)c1F ZINC000089164684 183237985 /nfs/dbraw/zinc/23/79/85/183237985.db2.gz DPICXMDLJDRMMY-CABZTGNLSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@]12CCCC[C@H]1CN(Cc1ccncc1)CC2 ZINC000019405217 183253007 /nfs/dbraw/zinc/25/30/07/183253007.db2.gz DFQPELNVIXKUCR-GJZGRUSLSA-N 0 3 246.354 2.209 10 0 BEAEHN O[C@]12CCCC[C@@H]1CN(Cc1cccnc1)CC2 ZINC000019339003 183253021 /nfs/dbraw/zinc/25/30/21/183253021.db2.gz YLXVDEWNLHNDPV-CABCVRRESA-N 0 3 246.354 2.209 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2ccccc2F)C1 ZINC000037166279 183236726 /nfs/dbraw/zinc/23/67/26/183236726.db2.gz WWSINUJDIZDUNF-RYUDHWBXSA-N 0 3 223.291 2.219 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1ccc(F)cc1F ZINC000089163064 183237665 /nfs/dbraw/zinc/23/76/65/183237665.db2.gz WABSSMPUWXRYGK-GWCFXTLKSA-N 0 3 241.281 2.215 10 0 BEAEHN Oc1ccc2c(c1)[C@@H](CC1CCOCC1)NCC2 ZINC000083663692 183281899 /nfs/dbraw/zinc/28/18/99/183281899.db2.gz HIXHKYAERRDIIG-OAHLLOKOSA-N 0 3 247.338 2.396 10 0 BEAEHN CCCN(CCO)c1ccc(F)cc1[C@H](C)N ZINC000042452888 169168412 /nfs/dbraw/zinc/16/84/12/169168412.db2.gz DEHGLYIGNDPQSB-JTQLQIEISA-N 0 3 240.322 2.054 10 0 BEAEHN c1c[nH]c(CNC2C3CC4CC(C3)CC2C4)n1 ZINC000049715184 183325544 /nfs/dbraw/zinc/32/55/44/183325544.db2.gz KGVNPOLPACVMTF-UHFFFAOYSA-N 0 3 231.343 2.324 10 0 BEAEHN CCCN1CCN(Cc2ccc(C)c(N)c2)CC1 ZINC000020073780 169202459 /nfs/dbraw/zinc/20/24/59/169202459.db2.gz ZWELPIDNOUIBNO-UHFFFAOYSA-N 0 3 247.386 2.105 10 0 BEAEHN CCCN1CCN([C@@H](C)c2ccc(N)cc2)CC1 ZINC000048607927 169202732 /nfs/dbraw/zinc/20/27/32/169202732.db2.gz WWFBOGIMCFGXPN-ZDUSSCGKSA-N 0 3 247.386 2.357 10 0 BEAEHN CCCNCC(=O)c1cc(C)c(OC)cc1C ZINC000049827494 169256255 /nfs/dbraw/zinc/25/62/55/169256255.db2.gz KWDLKQQLQATJOA-UHFFFAOYSA-N 0 3 235.327 2.494 10 0 BEAEHN c1cc2c(cccc2[C@@H]2NCCc3nc[nH]c32)[nH]1 ZINC000067458101 183362357 /nfs/dbraw/zinc/36/23/57/183362357.db2.gz OLWORZWXHONTQJ-ZDUSSCGKSA-N 0 3 238.294 2.126 10 0 BEAEHN CCCN[C@H](C)c1nc2ccccc2n1CCO ZINC000062366650 169288096 /nfs/dbraw/zinc/28/80/96/169288096.db2.gz GKCMDRNTCBQXQI-LLVKDONJSA-N 0 3 247.342 2.089 10 0 BEAEHN CCCNCc1cccc(N2CC[C@@H](C)C2)n1 ZINC000051448257 169268042 /nfs/dbraw/zinc/26/80/42/169268042.db2.gz CVFBNTLTEJWYKJ-GFCCVEGCSA-N 0 3 233.359 2.427 10 0 BEAEHN CCCNCc1ccoc1CN(C)C1CC1 ZINC000052445271 169268480 /nfs/dbraw/zinc/26/84/80/169268480.db2.gz NNKSGFXHBAUQQF-UHFFFAOYSA-N 0 3 222.332 2.373 10 0 BEAEHN CCCNCc1ccnc(-c2cccnc2)n1 ZINC000054791430 169268508 /nfs/dbraw/zinc/26/85/08/169268508.db2.gz SKVGOZSVKVHEPW-UHFFFAOYSA-N 0 3 228.299 2.038 10 0 BEAEHN CCCN[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647879 169283064 /nfs/dbraw/zinc/28/30/64/169283064.db2.gz VKLWRWWAUWSXFV-CQSZACIVSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCN[C@@H]1COc2c1cccc2OC ZINC000035652574 169283128 /nfs/dbraw/zinc/28/31/28/169283128.db2.gz YJCGHWIIAAYJGU-SNVBAGLBSA-N 0 3 207.273 2.128 10 0 BEAEHN CCCN[C@@H]1CCN(c2ccc(CC)cc2)C1=O ZINC000049647693 169283172 /nfs/dbraw/zinc/28/31/72/169283172.db2.gz KRAIHBVEVFLAIA-CQSZACIVSA-N 0 3 246.354 2.354 10 0 BEAEHN CCCOc1ccc([C@@H](CO)NC2CC2)cc1 ZINC000052920679 169320916 /nfs/dbraw/zinc/32/09/16/169320916.db2.gz XFXIAXWGLUNAAC-CQSZACIVSA-N 0 3 235.327 2.261 10 0 BEAEHN CCCOc1ccc([C@@H]2CNCCO2)cc1 ZINC000036965109 169321262 /nfs/dbraw/zinc/32/12/62/169321262.db2.gz OOHDOWNBFKCUFG-ZDUSSCGKSA-N 0 3 221.300 2.136 10 0 BEAEHN CCCOc1cccc([C@H](N)CC(=O)OC)c1 ZINC000052920813 169326166 /nfs/dbraw/zinc/32/61/66/169326166.db2.gz DWKVJBOEDJCVJY-GFCCVEGCSA-N 0 3 237.299 2.038 10 0 BEAEHN CCCOc1cccc2c1OCC[C@H]2N ZINC000036928690 169326599 /nfs/dbraw/zinc/32/65/99/169326599.db2.gz DMSLUEZJEVGGLD-SNVBAGLBSA-N 0 3 207.273 2.258 10 0 BEAEHN CCC[C@@H](N)C(=O)NCCCSCC(C)C ZINC000236944395 169389480 /nfs/dbraw/zinc/38/94/80/169389480.db2.gz LPTNTNJIEVDICZ-LLVKDONJSA-N 0 3 246.420 2.009 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1cc(F)ccc1F ZINC000036872741 169391828 /nfs/dbraw/zinc/39/18/28/169391828.db2.gz ROQGKQZCXGZMAL-SECBINFHSA-N 0 3 228.242 2.031 10 0 BEAEHN CCC[C@@H](N)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000019734000 169393723 /nfs/dbraw/zinc/39/37/23/169393723.db2.gz PCMAOZXIMMMZQC-MRVPVSSYSA-N 0 3 249.314 2.380 10 0 BEAEHN CC[C@H](C)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182682102 134346974 /nfs/dbraw/zinc/34/69/74/134346974.db2.gz KGMBXMIFARLQQX-WDEREUQCSA-N 0 3 222.336 2.378 10 0 BEAEHN CCCn1c2ccc(OC)cc2nc1[C@@H](C)N ZINC000074297639 169615536 /nfs/dbraw/zinc/61/55/36/169615536.db2.gz GQRKCHCKOZLTKR-SECBINFHSA-N 0 3 233.315 2.475 10 0 BEAEHN CCC[C@H](C(=O)N1CCCC[C@H](C)C1)N(C)C ZINC000184441570 134361209 /nfs/dbraw/zinc/36/12/09/134361209.db2.gz NXFAQASBJSTXNZ-QWHCGFSZSA-N 0 3 240.391 2.365 10 0 BEAEHN CCOCCN[C@@H]1CCc2c1cccc2O ZINC000036852842 383913994 /nfs/dbraw/zinc/91/39/94/383913994.db2.gz HXGYEUVWOJKMEO-GFCCVEGCSA-N 0 3 221.300 2.006 10 0 BEAEHN FC(F)(F)Oc1ccc([C@H]2CNCCO2)cc1 ZINC000036965116 383925003 /nfs/dbraw/zinc/92/50/03/383925003.db2.gz JMNHBVHPPNOGJS-SNVBAGLBSA-N 0 3 247.216 2.246 10 0 BEAEHN NCc1ccncc1OCc1ccccc1 ZINC000089064992 383930213 /nfs/dbraw/zinc/93/02/13/383930213.db2.gz RSPRNXJIYWXVOP-UHFFFAOYSA-N 0 3 214.268 2.119 10 0 BEAEHN C[C@H](CCc1ccco1)NCc1cncnc1 ZINC000054767124 383955140 /nfs/dbraw/zinc/95/51/40/383955140.db2.gz YOAHGVMGASOXQS-LLVKDONJSA-N 0 3 231.299 2.181 10 0 BEAEHN NCc1ccc(C(=O)c2ccoc2)s1 ZINC000090397613 384044938 /nfs/dbraw/zinc/04/49/38/384044938.db2.gz QCBTXSONRBFUQV-UHFFFAOYSA-N 0 3 207.254 2.031 10 0 BEAEHN CNc1cccc(OC2CCN(C)CC2)c1 ZINC000039110279 384106793 /nfs/dbraw/zinc/10/67/93/384106793.db2.gz QZVRZUCDMLNBTR-UHFFFAOYSA-N 0 3 220.316 2.201 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NCC1CCOCC1 ZINC000070528491 384117534 /nfs/dbraw/zinc/11/75/34/384117534.db2.gz MRSCAPVFLQLHNH-ZDUSSCGKSA-N 0 3 233.311 2.136 10 0 BEAEHN C[C@@H]1C[C@H](N[C@H]2CCOc3ccccc32)CO1 ZINC000401866144 384164782 /nfs/dbraw/zinc/16/47/82/384164782.db2.gz VIIBIVXSHDFTDV-MDZLAQPJSA-N 0 3 233.311 2.277 10 0 BEAEHN CC1(C)SC[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000309754864 384171140 /nfs/dbraw/zinc/17/11/40/384171140.db2.gz HJFAZQBRCUFAIE-GXSJLCMTSA-N 0 3 237.372 2.271 10 0 BEAEHN CC(C)[C@H](NCCO)c1ccc(F)c(F)c1 ZINC000132397447 384228805 /nfs/dbraw/zinc/22/88/05/384228805.db2.gz VFCOCBMNRGEVOE-LBPRGKRZSA-N 0 3 229.270 2.244 10 0 BEAEHN CCc1ccccc1C(=O)NC[C@@H]1CCCN1C ZINC000119051400 384228765 /nfs/dbraw/zinc/22/87/65/384228765.db2.gz VTEZOINAAVABGD-ZDUSSCGKSA-N 0 3 246.354 2.073 10 0 BEAEHN Cc1ccc([O-])c(C[NH+]2C[C@H](C)[C@@H](C)C2)n1 ZINC000132752324 384248991 /nfs/dbraw/zinc/24/89/91/384248991.db2.gz MAAAYZDEEFLEDW-UWVGGRQHSA-N 0 3 220.316 2.183 10 0 BEAEHN NCc1cnc(Cl)c(C(F)(F)F)c1 ZINC000095763853 384395089 /nfs/dbraw/zinc/39/50/89/384395089.db2.gz YHPFQGOGRQGILK-UHFFFAOYSA-N 0 3 210.586 2.213 10 0 BEAEHN Cc1ccc(CNc2nccn2C)cc1 ZINC000050605739 384398619 /nfs/dbraw/zinc/39/86/19/384398619.db2.gz JGSIWESSWDNUHC-UHFFFAOYSA-N 0 3 201.273 2.341 10 0 BEAEHN CCN(CCc1nccs1)[C@@H](C)COC ZINC000121194306 384400924 /nfs/dbraw/zinc/40/09/24/384400924.db2.gz WNXIGOVJZSEHAK-JTQLQIEISA-N 0 3 228.361 2.042 10 0 BEAEHN Clc1ccc(-c2n[nH]c3c2CNCC3)s1 ZINC000077385380 384404104 /nfs/dbraw/zinc/40/41/04/384404104.db2.gz WPZNXHBUTZBHNB-UHFFFAOYSA-N 0 3 239.731 2.437 10 0 BEAEHN CCOc1cnc2ccccc2c1CN ZINC000095942523 384419912 /nfs/dbraw/zinc/41/99/12/384419912.db2.gz URDAJXLRZYEZBH-UHFFFAOYSA-N 0 3 202.257 2.092 10 0 BEAEHN N[C@@H]1CCOc2c(Cl)ccc(F)c21 ZINC000095639108 384385330 /nfs/dbraw/zinc/38/53/30/384385330.db2.gz REXMYOGKXMUMRV-SSDOTTSWSA-N 0 3 201.628 2.261 10 0 BEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000082699276 384438283 /nfs/dbraw/zinc/43/82/83/384438283.db2.gz DFGMFRKSFIJVLX-GHMZBOCLSA-N 0 3 240.347 2.090 10 0 BEAEHN CCCCCC(=O)N1CCCN(C2CC2)CC1 ZINC000149031141 384473612 /nfs/dbraw/zinc/47/36/12/384473612.db2.gz RLUFBJYKBANSTN-UHFFFAOYSA-N 0 3 238.375 2.263 10 0 BEAEHN Cc1csc(CN[C@H]2CCCSC2)n1 ZINC000061588877 384519493 /nfs/dbraw/zinc/51/94/93/384519493.db2.gz HCFMNDSBPPGXLO-VIFPVBQESA-N 0 3 228.386 2.437 10 0 BEAEHN C[C@@H](N)c1csc([C@@H]2CCSC2)n1 ZINC000258273216 384550710 /nfs/dbraw/zinc/55/07/10/384550710.db2.gz YAHIJISSFQQXMM-RNFRBKRXSA-N 0 3 214.359 2.383 10 0 BEAEHN C[C@@H](N)c1cnc([C@H]2CCSC2)s1 ZINC000258279424 384550725 /nfs/dbraw/zinc/55/07/25/384550725.db2.gz YKBMSSGTCQSPEW-RQJHMYQMSA-N 0 3 214.359 2.383 10 0 BEAEHN COC[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000020262412 384607256 /nfs/dbraw/zinc/60/72/56/384607256.db2.gz ROHHPXSZRZTEOZ-SECBINFHSA-N 0 3 219.206 2.352 10 0 BEAEHN Cc1ccc(O)c(CNCc2ccccc2)n1 ZINC000103340700 384609350 /nfs/dbraw/zinc/60/93/50/384609350.db2.gz XLLNWNLZJYFDFA-UHFFFAOYSA-N 0 3 228.295 2.385 10 0 BEAEHN C[C@H](CCN[C@H]1CCCNC1=O)c1ccccc1 ZINC000050395562 384621606 /nfs/dbraw/zinc/62/16/06/384621606.db2.gz SHCLVFNRVFDPDF-OCCSQVGLSA-N 0 3 246.354 2.048 10 0 BEAEHN Cc1nc(C[C@@H]2CCCN(C(C)C)C2)no1 ZINC000103230659 384601947 /nfs/dbraw/zinc/60/19/47/384601947.db2.gz QDTYLFWPGZRPMD-NSHDSACASA-N 0 3 223.320 2.041 10 0 BEAEHN CCNC(=O)CCN[C@H](C)c1cccc(C)c1 ZINC000160219190 384662865 /nfs/dbraw/zinc/66/28/65/384662865.db2.gz RJRRDLHCTABPRE-GFCCVEGCSA-N 0 3 234.343 2.172 10 0 BEAEHN C[C@H]1Oc2c(cc(Br)cc2F)[C@@H]1N ZINC000043634305 384716921 /nfs/dbraw/zinc/71/69/21/384716921.db2.gz CJFMUEWOSUPUCM-SPGJFGJESA-N 0 3 246.079 2.369 10 0 BEAEHN C[C@H]1Oc2c(cccc2Br)[C@@H]1N ZINC000043634678 384718121 /nfs/dbraw/zinc/71/81/21/384718121.db2.gz HLPWSUNIMSZLKN-SVGQVSJJSA-N 0 3 228.089 2.230 10 0 BEAEHN CCCCNCc1cc(OC)cc(C)n1 ZINC000125954976 384722145 /nfs/dbraw/zinc/72/21/45/384722145.db2.gz YUQLMCCJFMCEDN-UHFFFAOYSA-N 0 3 208.305 2.288 10 0 BEAEHN C[C@H]1Sc2c(cc(F)cc2F)[C@H]1N ZINC000043636130 384728294 /nfs/dbraw/zinc/72/82/94/384728294.db2.gz QIJCZAJCUQGCOK-VHWMUFPASA-N 0 3 201.241 2.459 10 0 BEAEHN C[C@@H]1Sc2cc(F)c(F)cc2[C@@H]1N ZINC000043636041 384728480 /nfs/dbraw/zinc/72/84/80/384728480.db2.gz OUOGPHPRMJHWJU-AJAUBTJJSA-N 0 3 201.241 2.459 10 0 BEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174002688 384743589 /nfs/dbraw/zinc/74/35/89/384743589.db2.gz OCKMMPPGAJHPPL-MNOVXSKESA-N 0 3 242.363 2.240 10 0 BEAEHN C[C@@H](NC[C@H](C)CO)c1cc(F)ccc1F ZINC000083215461 384751443 /nfs/dbraw/zinc/75/14/43/384751443.db2.gz DDAKQAVSPSANPX-DTWKUNHWSA-N 0 3 229.270 2.244 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnn(C)c1C ZINC000126277738 384758028 /nfs/dbraw/zinc/75/80/28/384758028.db2.gz MEOFCEJVBWGTEN-ZYHUDNBSSA-N 0 3 207.321 2.007 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnn(C)c1C ZINC000126277230 384759325 /nfs/dbraw/zinc/75/93/25/384759325.db2.gz MEOFCEJVBWGTEN-PWSUYJOCSA-N 0 3 207.321 2.007 10 0 BEAEHN CN[C@H](C)c1nc2c(cccc2Cl)[nH]1 ZINC000054053036 384819668 /nfs/dbraw/zinc/81/96/68/384819668.db2.gz KUTYQIMAPPCDHQ-ZCFIWIBFSA-N 0 3 209.680 2.497 10 0 BEAEHN CCCCN1CCN(CCOCC)[C@H](CC)C1 ZINC000105838630 384805061 /nfs/dbraw/zinc/80/50/61/384805061.db2.gz STHUTFYTJQZVNJ-CQSZACIVSA-N 0 3 242.407 2.219 10 0 BEAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccco1 ZINC000248526389 384905128 /nfs/dbraw/zinc/90/51/28/384905128.db2.gz FIHOEBROSDWAIR-JBLDHEPKSA-N 0 3 209.289 2.498 10 0 BEAEHN C[C@H](N)c1cnc([C@H]2CCSC2)s1 ZINC000258279415 384930702 /nfs/dbraw/zinc/93/07/02/384930702.db2.gz YKBMSSGTCQSPEW-BQBZGAKWSA-N 0 3 214.359 2.383 10 0 BEAEHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NC1COC1 ZINC000376862586 384935214 /nfs/dbraw/zinc/93/52/14/384935214.db2.gz YHVUAORSDLVZST-GDLCADMTSA-N 0 3 217.312 2.167 10 0 BEAEHN CCN1CCC[C@@H](N[C@@H](C)c2ccoc2)C1 ZINC000087289965 384941072 /nfs/dbraw/zinc/94/10/72/384941072.db2.gz BDRFIKHOALFYLS-WCQYABFASA-N 0 3 222.332 2.415 10 0 BEAEHN Cc1sccc1CN[C@H]1CCO[C@@H]1C ZINC000306430672 384941813 /nfs/dbraw/zinc/94/18/13/384941813.db2.gz QKOBIMSAUODISO-KCJUWKMLSA-N 0 3 211.330 2.324 10 0 BEAEHN c1ccc([C@H]2CC[C@H](NC3COC3)C2)cc1 ZINC000367897341 384942052 /nfs/dbraw/zinc/94/20/52/384942052.db2.gz SIKZUOXPXUVYKH-STQMWFEESA-N 0 3 217.312 2.311 10 0 BEAEHN CCc1ccc(CN2CCC[C@H]2CCCO)nc1 ZINC000338953808 384960646 /nfs/dbraw/zinc/96/06/46/384960646.db2.gz KRBRKHHDVCOGRN-HNNXBMFYSA-N 0 3 248.370 2.381 10 0 BEAEHN NCc1ccc2cc(Br)ccc2n1 ZINC000062618293 384973804 /nfs/dbraw/zinc/97/38/04/384973804.db2.gz BKBFDKKIZGWBDE-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN CN(Cc1ccc2c[nH]nc2c1)C[C@@H]1CCCO1 ZINC000128009208 384980175 /nfs/dbraw/zinc/98/01/75/384980175.db2.gz FNKHHUARPHRMKN-ZDUSSCGKSA-N 0 3 245.326 2.174 10 0 BEAEHN Cc1cc(CNC[C@H]2CCCC[C@H]2O)sn1 ZINC000404416645 384982260 /nfs/dbraw/zinc/98/22/60/384982260.db2.gz DZXKINPWLHCJIG-ZYHUDNBSSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1ccc(CN[C@H](C)[C@@H]2CCCO2)nc1 ZINC000087782224 384989329 /nfs/dbraw/zinc/98/93/29/384989329.db2.gz CBXPNKHTSAGPLS-YPMHNXCESA-N 0 3 220.316 2.047 10 0 BEAEHN Cc1cc(CN[C@H]2CCCC[C@H]2CO)sn1 ZINC000404435050 384995863 /nfs/dbraw/zinc/99/58/63/384995863.db2.gz QPVQIPDASLPAIL-JQWIXIFHSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1cc(CN[C@H](C)[C@@H]2CCCO2)sn1 ZINC000404460020 385003398 /nfs/dbraw/zinc/00/33/98/385003398.db2.gz NVEMVUVAMIJHEJ-KOLCDFICSA-N 0 3 226.345 2.109 10 0 BEAEHN Cn1cc([C@@H]2CCN(Cc3ccsc3)C2)cn1 ZINC000128537553 385048062 /nfs/dbraw/zinc/04/80/62/385048062.db2.gz OGNSOGPFUQXHNL-GFCCVEGCSA-N 0 3 247.367 2.471 10 0 BEAEHN CN(C)Cc1cc(N)cc(C(F)(F)F)c1 ZINC000059828947 385053531 /nfs/dbraw/zinc/05/35/31/385053531.db2.gz BQKAPZPXVOOEAP-UHFFFAOYSA-N 0 3 218.222 2.349 10 0 BEAEHN Cn1cc([C@@H]2CCN(Cc3ccco3)C2)cn1 ZINC000128357170 385027858 /nfs/dbraw/zinc/02/78/58/385027858.db2.gz VORQABUPEZCVKI-LLVKDONJSA-N 0 3 231.299 2.003 10 0 BEAEHN NC[C@H](F)c1sccc1Br ZINC000156349957 385036133 /nfs/dbraw/zinc/03/61/33/385036133.db2.gz WBOZZUXCLNVNOD-YFKPBYRVSA-N 0 3 224.098 2.480 10 0 BEAEHN CN(C)C[C@@H]1CCc2[nH]c3ccccc3c2C1=O ZINC000022002116 385163401 /nfs/dbraw/zinc/16/34/01/385163401.db2.gz UEWOZJZAMBVKAE-JTQLQIEISA-N 0 3 242.322 2.475 10 0 BEAEHN CC(C)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000107628651 385206550 /nfs/dbraw/zinc/20/65/50/385206550.db2.gz YLAQWFSQMLGYMW-CYBMUJFWSA-N 0 3 238.375 2.119 10 0 BEAEHN NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000050224156 385313083 /nfs/dbraw/zinc/31/30/83/385313083.db2.gz OYKHGRSYYZRIMH-UHFFFAOYSA-N 0 3 243.097 2.033 10 0 BEAEHN CC(C)CC(C)(C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000177646345 385268554 /nfs/dbraw/zinc/26/85/54/385268554.db2.gz SXXMJJRJACSUAX-LBPRGKRZSA-N 0 3 240.391 2.221 10 0 BEAEHN Cn1cncc1CNCCC1=CCCC1 ZINC000120153372 385270394 /nfs/dbraw/zinc/27/03/94/385270394.db2.gz ZYVPILIJXJKKNW-UHFFFAOYSA-N 0 3 205.305 2.010 10 0 BEAEHN CC(C)(N)c1cc(C(F)(F)F)ccn1 ZINC000259368774 385358445 /nfs/dbraw/zinc/35/84/45/385358445.db2.gz QJWPXEHMLMTEIV-UHFFFAOYSA-N 0 3 204.195 2.294 10 0 BEAEHN CC(C)N1CCCC[C@@H]1c1cccnn1 ZINC000259370901 385359085 /nfs/dbraw/zinc/35/90/85/385359085.db2.gz HJHLUNPKISSRGP-GFCCVEGCSA-N 0 3 205.305 2.412 10 0 BEAEHN Cc1ccc([C@H]2CCCCN2C[C@@H](C)O)o1 ZINC000192727323 385368664 /nfs/dbraw/zinc/36/86/64/385368664.db2.gz YVXKRWCRQJNZDW-ZYHUDNBSSA-N 0 3 223.316 2.496 10 0 BEAEHN c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1NC1COC1 ZINC000168593757 385376743 /nfs/dbraw/zinc/37/67/43/385376743.db2.gz FTNUKPQNEBVHFC-MZBDJJRSSA-N 0 3 243.350 2.168 10 0 BEAEHN CC[C@H](NC(=O)[C@@H]1NCC1(C)C)c1ccccc1 ZINC000644016924 385378513 /nfs/dbraw/zinc/37/85/13/385378513.db2.gz MSKUMDKCEMPOPX-STQMWFEESA-N 0 3 246.354 2.252 10 0 BEAEHN CC[C@H](NC(=O)[C@H]1NCC1(C)C)c1ccccc1 ZINC000644016923 385378536 /nfs/dbraw/zinc/37/85/36/385378536.db2.gz MSKUMDKCEMPOPX-QWHCGFSZSA-N 0 3 246.354 2.252 10 0 BEAEHN COc1ccc(CNc2nccn2C)c(OC)c1 ZINC000109554479 385463616 /nfs/dbraw/zinc/46/36/16/385463616.db2.gz WPEARHYVBGLROM-UHFFFAOYSA-N 0 3 247.298 2.049 10 0 BEAEHN CC[C@@H](C)CN(C)CC(=O)NC(C)(C)CC ZINC000111254334 385499083 /nfs/dbraw/zinc/49/90/83/385499083.db2.gz MCODWIZXEDMVLH-LLVKDONJSA-N 0 3 228.380 2.269 10 0 BEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1cccs1 ZINC000180601583 385532917 /nfs/dbraw/zinc/53/29/17/385532917.db2.gz XKJLHACUNOMCBC-UWVGGRQHSA-N 0 3 248.355 2.005 10 0 BEAEHN Cc1nnc2n1CCC[C@H]2NCCC(C)C ZINC000309424868 385577077 /nfs/dbraw/zinc/57/70/77/385577077.db2.gz BLZKCBSVZGDOGP-LLVKDONJSA-N 0 3 222.336 2.057 10 0 BEAEHN CCOc1ccccc1CN[C@@H]1CCC[C@H](O)C1 ZINC000037164400 385597305 /nfs/dbraw/zinc/59/73/05/385597305.db2.gz MYKAWWZQBBHUEK-KGLIPLIRSA-N 0 3 249.354 2.478 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1ccco1 ZINC000252709803 385656616 /nfs/dbraw/zinc/65/66/16/385656616.db2.gz DWJBXTWYWORZSJ-SRVKXCTJSA-N 0 3 223.316 2.481 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000643201839 385671837 /nfs/dbraw/zinc/67/18/37/385671837.db2.gz GNFGMKRVZLXQMF-FZMZJTMJSA-N 0 3 246.354 2.178 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ccon2)CC1 ZINC000616594269 385706651 /nfs/dbraw/zinc/70/66/51/385706651.db2.gz DSRALHVDPKCNLD-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN CCc1ccc(CN[C@H]2CCCC[C@H]2CO)o1 ZINC000230197259 385716616 /nfs/dbraw/zinc/71/66/16/385716616.db2.gz JRQILWXUUHRMCA-FZMZJTMJSA-N 0 3 237.343 2.483 10 0 BEAEHN Cc1nnc2n1CCC[C@H]2N[C@H](C)C(C)C ZINC000309644669 385768554 /nfs/dbraw/zinc/76/85/54/385768554.db2.gz VPAHFVIJAALQRK-MWLCHTKSSA-N 0 3 222.336 2.056 10 0 BEAEHN Cc1cn[nH]c1CN[C@H]1CCOc2ccccc21 ZINC000284024647 385847812 /nfs/dbraw/zinc/84/78/12/385847812.db2.gz LXXAWSOEBRHFMR-LBPRGKRZSA-N 0 3 243.310 2.332 10 0 BEAEHN N[C@H](CO)c1cc(C(F)(F)F)ccc1Cl ZINC000072198894 385905074 /nfs/dbraw/zinc/90/50/74/385905074.db2.gz YBEJKAIHGFKIIV-MRVPVSSYSA-N 0 3 239.624 2.351 10 0 BEAEHN N[C@H](CO)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072198898 385975317 /nfs/dbraw/zinc/97/53/17/385975317.db2.gz VUOICOBAIVLPGW-MRVPVSSYSA-N 0 3 239.624 2.351 10 0 BEAEHN C[C@@H]1C[C@H]1CN[C@H]1COc2ccccc21 ZINC000336769548 385981142 /nfs/dbraw/zinc/98/11/42/385981142.db2.gz VSMOEONOHQICJE-SCVCMEIPSA-N 0 3 203.285 2.366 10 0 BEAEHN CC[C@@H](C)[C@](C)(NCc1ccccc1)C(N)=O ZINC000037941176 386105139 /nfs/dbraw/zinc/10/51/39/386105139.db2.gz CUJTWMHGMFJWCB-RISCZKNCSA-N 0 3 234.343 2.066 10 0 BEAEHN CCN(C)c1ccc(CN[C@@H]2C[C@@H]2C)cn1 ZINC000190951991 386106454 /nfs/dbraw/zinc/10/64/54/386106454.db2.gz UMKVQTLSNVCRRL-CMPLNLGQSA-N 0 3 219.332 2.036 10 0 BEAEHN CN[C@](C)(CO)c1ccc(Cl)c(Cl)c1 ZINC000038121148 386124408 /nfs/dbraw/zinc/12/44/08/386124408.db2.gz WIRARKNKKHOXAG-SNVBAGLBSA-N 0 3 234.126 2.420 10 0 BEAEHN C[C@@H]1CC[C@@](N)(c2cscn2)CS1 ZINC000575573668 386160166 /nfs/dbraw/zinc/16/01/66/386160166.db2.gz ZDIAEBLIUQPQCE-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN CCCN(CC(C)C)C(=O)[C@]1(C)CCCCN1 ZINC000310356673 386173295 /nfs/dbraw/zinc/17/32/95/386173295.db2.gz QZEDXYAEJYYXDH-AWEZNQCLSA-N 0 3 240.391 2.413 10 0 BEAEHN COC(=O)[C@]1(C)CCCN1C[C@H]1CC=CCC1 ZINC000189993261 386141562 /nfs/dbraw/zinc/14/15/62/386141562.db2.gz XHOOUOPLPIOHKA-JSGCOSHPSA-N 0 3 237.343 2.370 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CN(C)C[C@H]2C)o1 ZINC000336742543 386200220 /nfs/dbraw/zinc/20/02/20/386200220.db2.gz OIXYXLXDKOOEFH-ADEWGFFLSA-N 0 3 222.332 2.189 10 0 BEAEHN C[C@H](N[C@@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787652 386299088 /nfs/dbraw/zinc/29/90/88/386299088.db2.gz YPFCJDTZJWGBEP-CMPLNLGQSA-N 0 3 234.347 2.281 10 0 BEAEHN Cc1cnn(CCNCc2cc(C)ccc2F)c1 ZINC000227287326 386474324 /nfs/dbraw/zinc/47/43/24/386474324.db2.gz INKHZNBXSALMPN-UHFFFAOYSA-N 0 3 247.317 2.429 10 0 BEAEHN CC(C)[C@@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000135198652 386490505 /nfs/dbraw/zinc/49/05/05/386490505.db2.gz CSMDCCJRRNCAAM-GFCCVEGCSA-N 0 3 238.375 2.153 10 0 BEAEHN COc1cccc(CN2C[C@H](O)CC[C@@H]2C)c1 ZINC000399225279 386459662 /nfs/dbraw/zinc/45/96/62/386459662.db2.gz YMMWXGNUGVFPCU-WCQYABFASA-N 0 3 235.327 2.040 10 0 BEAEHN CC(C)[C@H]1CCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000136191837 386568386 /nfs/dbraw/zinc/56/83/86/386568386.db2.gz WBIKIMJDROIRKY-GXTWGEPZSA-N 0 3 238.375 2.023 10 0 BEAEHN C[C@H]1[C@@H](O)CCCN1Cc1cccs1 ZINC000295113411 386690680 /nfs/dbraw/zinc/69/06/80/386690680.db2.gz WKJAITHCKNLPGD-ONGXEEELSA-N 0 3 211.330 2.093 10 0 BEAEHN C[C@H]1[C@@H](O)CCCN1Cc1ccsc1 ZINC000295141426 386693486 /nfs/dbraw/zinc/69/34/86/386693486.db2.gz ZVOUVHLBJGABPK-ONGXEEELSA-N 0 3 211.330 2.093 10 0 BEAEHN CO[C@@H](N)Cc1ccc(Br)cc1F ZINC000575448854 386759351 /nfs/dbraw/zinc/75/93/51/386759351.db2.gz NOSOXHCFJSKCFA-SECBINFHSA-N 0 3 248.095 2.062 10 0 BEAEHN FC1(CN[C@@H]2CCSC2)CCCC1 ZINC000306705558 386741362 /nfs/dbraw/zinc/74/13/62/386741362.db2.gz IITNTECALRBGOI-SECBINFHSA-N 0 3 203.326 2.364 10 0 BEAEHN N[C@]1(c2cncs2)CCCSCC1 ZINC000575451588 386802808 /nfs/dbraw/zinc/80/28/08/386802808.db2.gz ZZKWFKKHLXQEQG-SECBINFHSA-N 0 3 214.359 2.214 10 0 BEAEHN Cc1ncsc1[C@H](N)[C@H]1CCSC1 ZINC000575453827 386829633 /nfs/dbraw/zinc/82/96/33/386829633.db2.gz IUCFNJLLDHWSLK-JGVFFNPUSA-N 0 3 214.359 2.204 10 0 BEAEHN N[C@@H](CF)c1ccc(Br)cc1 ZINC000071654955 386832161 /nfs/dbraw/zinc/83/21/61/386832161.db2.gz LTQTVYZYSCTZLO-QMMMGPOBSA-N 0 3 218.069 2.418 10 0 BEAEHN Cc1ccc([C@H]2CCCCN2C[C@H](C)O)o1 ZINC000249653419 386840982 /nfs/dbraw/zinc/84/09/82/386840982.db2.gz YVXKRWCRQJNZDW-CMPLNLGQSA-N 0 3 223.316 2.496 10 0 BEAEHN COc1ccc([C@@H](N)CF)cc1Br ZINC000238402100 387032414 /nfs/dbraw/zinc/03/24/14/387032414.db2.gz DUZLNEWFKVCWJF-QMMMGPOBSA-N 0 3 248.095 2.427 10 0 BEAEHN [NH3+][C@H](CC(F)F)c1ccc([O-])cc1F ZINC000575437300 387107905 /nfs/dbraw/zinc/10/79/05/387107905.db2.gz CPDYQVITKNBVEE-MRVPVSSYSA-N 0 3 205.179 2.186 10 0 BEAEHN COc1cccc(OC)c1[C@@H](N)CCF ZINC000575439526 387124030 /nfs/dbraw/zinc/12/40/30/387124030.db2.gz DKTXNPRCONTLOP-QMMMGPOBSA-N 0 3 213.252 2.063 10 0 BEAEHN COc1ccc(F)c([C@@H](N)CCF)c1 ZINC000575439866 387126139 /nfs/dbraw/zinc/12/61/39/387126139.db2.gz YWUWNPQUOWXNIZ-JTQLQIEISA-N 0 3 201.216 2.194 10 0 BEAEHN c1ccc([C@]23CCN(C4CC4)C[C@H]2O3)cc1 ZINC000536957577 387171484 /nfs/dbraw/zinc/17/14/84/387171484.db2.gz BXENOLFXUWXSMX-ZIAGYGMSSA-N 0 3 215.296 2.149 10 0 BEAEHN CC[C@H](NCC1CC(O)C1)c1ccc(F)cn1 ZINC000161345622 387189903 /nfs/dbraw/zinc/18/99/03/387189903.db2.gz YWFIUWCMXICSDM-NHNAUAITSA-N 0 3 238.306 2.032 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1ccc(F)cc1 ZINC000119407017 387132780 /nfs/dbraw/zinc/13/27/80/387132780.db2.gz YSQNMYMUDDNEHK-ZDUSSCGKSA-N 0 3 225.307 2.419 10 0 BEAEHN CC1(C)C[C@@]1(N)c1ncccc1Br ZINC000575592575 387216510 /nfs/dbraw/zinc/21/65/10/387216510.db2.gz WLFZRMIAHWGITQ-SNVBAGLBSA-N 0 3 241.132 2.428 10 0 BEAEHN O=C1OCC[C@H]1CCN1CCC[C@H]1c1ccco1 ZINC000120629586 387260634 /nfs/dbraw/zinc/26/06/34/387260634.db2.gz RUXWAEPQWFTMFY-NEPJUHHUSA-N 0 3 249.310 2.370 10 0 BEAEHN CN1CCC(c2nccc(OC(C)(C)C)n2)CC1 ZINC000575601212 387361615 /nfs/dbraw/zinc/36/16/15/387361615.db2.gz OSVOINREZUOUMU-UHFFFAOYSA-N 0 3 249.358 2.463 10 0 BEAEHN CCC[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000121475698 387352221 /nfs/dbraw/zinc/35/22/21/387352221.db2.gz KEHQKGMMKQEZHP-ZJUUUORDSA-N 0 3 239.281 2.422 10 0 BEAEHN C[C@@H]1CS[C@]2(CCCSCC2)N1 ZINC000575517996 387434092 /nfs/dbraw/zinc/43/40/92/387434092.db2.gz JAZWLXJGWSFRCI-BDAKNGLRSA-N 0 3 203.376 2.325 10 0 BEAEHN CC(C)CCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000122862091 387609271 /nfs/dbraw/zinc/60/92/71/387609271.db2.gz RSOOPLJDFOUJNC-QWHCGFSZSA-N 0 3 240.391 2.364 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cc(C(N)=O)cs1 ZINC000124535715 387621278 /nfs/dbraw/zinc/62/12/78/387621278.db2.gz KMHYOVZPJHRSBB-KWQFWETISA-N 0 3 238.356 2.125 10 0 BEAEHN CC(C)C1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000119106404 387553251 /nfs/dbraw/zinc/55/32/51/387553251.db2.gz DDUXVTSIHKURQC-CYBMUJFWSA-N 0 3 238.375 2.023 10 0 BEAEHN CCCNC(=O)[C@H](C)N[C@@H](C)c1cccs1 ZINC000035139682 387554954 /nfs/dbraw/zinc/55/49/54/387554954.db2.gz GRTWSLPJXSNJBO-UWVGGRQHSA-N 0 3 240.372 2.313 10 0 BEAEHN Cc1ccc([C@@H]2CCCCN2CCCO)o1 ZINC000124688435 387627874 /nfs/dbraw/zinc/62/78/74/387627874.db2.gz NUICBUQDQGFSCR-LBPRGKRZSA-N 0 3 223.316 2.497 10 0 BEAEHN CCC[C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000124828639 387633999 /nfs/dbraw/zinc/63/39/99/387633999.db2.gz MOOYOLVJEFESGY-YNEHKIRRSA-N 0 3 240.391 2.364 10 0 BEAEHN CN[C@@H]1COc2c1ccc(F)c2Br ZINC000575546916 387634421 /nfs/dbraw/zinc/63/44/21/387634421.db2.gz WGYKXKMKLQSKKD-SSDOTTSWSA-N 0 3 246.079 2.241 10 0 BEAEHN CN[C@H]1COc2c1ccc(F)c2Br ZINC000575546927 387636399 /nfs/dbraw/zinc/63/63/99/387636399.db2.gz WGYKXKMKLQSKKD-ZETCQYMHSA-N 0 3 246.079 2.241 10 0 BEAEHN COc1cc(C)nc(CN[C@H](C)C2CC2)c1 ZINC000125960074 387669123 /nfs/dbraw/zinc/66/91/23/387669123.db2.gz XGPTXFVKMIKEOZ-SNVBAGLBSA-N 0 3 220.316 2.287 10 0 BEAEHN CN(C)CCn1c2ccccc2[nH]c1=S ZINC000006871439 387727120 /nfs/dbraw/zinc/72/71/20/387727120.db2.gz FIOHFHZRXGXJIQ-UHFFFAOYSA-N 0 3 221.329 2.260 10 0 BEAEHN C[C@H]1COC[C@@]1(N)c1sccc1Cl ZINC000575568963 387730072 /nfs/dbraw/zinc/73/00/72/387730072.db2.gz GHTYMLSQILNRES-RCOVLWMOSA-N 0 3 217.721 2.222 10 0 BEAEHN C[C@@H]1COC[C@@]1(N)c1sccc1Cl ZINC000575568961 387730208 /nfs/dbraw/zinc/73/02/08/387730208.db2.gz GHTYMLSQILNRES-MUWHJKNJSA-N 0 3 217.721 2.222 10 0 BEAEHN C[C@@H]1C[C@](N)(c2ccc(Cl)s2)CO1 ZINC000575567767 387735532 /nfs/dbraw/zinc/73/55/32/387735532.db2.gz ZTJMUGRRCYPNTP-HZGVNTEJSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@@H]1SCCC[C@]1(N)c1ccsn1 ZINC000575571195 387741348 /nfs/dbraw/zinc/74/13/48/387741348.db2.gz IFRAPEHSRQLUPI-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1ccc(F)cc1CN1CC[C@@H](CCO)C1 ZINC000129172106 387763112 /nfs/dbraw/zinc/76/31/12/387763112.db2.gz PBRGHMXZALMTQA-LBPRGKRZSA-N 0 3 237.318 2.338 10 0 BEAEHN Cc1ccc(F)cc1CN1CC[C@H](CCO)C1 ZINC000129171894 387763598 /nfs/dbraw/zinc/76/35/98/387763598.db2.gz PBRGHMXZALMTQA-GFCCVEGCSA-N 0 3 237.318 2.338 10 0 BEAEHN CN(CC(=O)NC(C)(C)C)CC1CCCCC1 ZINC000049974644 387789404 /nfs/dbraw/zinc/78/94/04/387789404.db2.gz ZNXZGBKJQSAUQL-UHFFFAOYSA-N 0 3 240.391 2.413 10 0 BEAEHN C[C@@H]1CC[C@](N)(c2ccsn2)CS1 ZINC000575573659 387757331 /nfs/dbraw/zinc/75/73/31/387757331.db2.gz ZAKFPCHRQFPLBQ-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@H](NCC1CC(O)C1)c1ccc(Cl)cn1 ZINC000528017458 387825595 /nfs/dbraw/zinc/82/55/95/387825595.db2.gz GZLAOFRAJSJEON-SILCLGDVSA-N 0 3 240.734 2.157 10 0 BEAEHN Cc1cc(C)c([C@H](C)N[C@H](C)CO)c(C)n1 ZINC000037258735 177874488 /nfs/dbraw/zinc/87/44/88/177874488.db2.gz UYCXZMGCMNJVEO-PWSUYJOCSA-N 0 3 222.332 2.038 10 0 BEAEHN c1nnc([C@H]2CCCN(C3CCC3)C2)n1C1CC1 ZINC000194728630 387892141 /nfs/dbraw/zinc/89/21/41/387892141.db2.gz ZPJPECYRBLRSAN-NSHDSACASA-N 0 3 246.358 2.345 10 0 BEAEHN Cc1occc1CN[C@@H]1CCCC[C@H]1CO ZINC000321014204 387930620 /nfs/dbraw/zinc/93/06/20/387930620.db2.gz UZJWFYOFFGUYBS-QWHCGFSZSA-N 0 3 223.316 2.229 10 0 BEAEHN CCCCCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195328310 387919989 /nfs/dbraw/zinc/91/99/89/387919989.db2.gz URLFXHAOXNCPAG-CYBMUJFWSA-N 0 3 238.375 2.263 10 0 BEAEHN CO[C@@H]1CC[C@@H]2OCCN(CC(C)(C)C)[C@@H]2C1 ZINC000245719359 387976439 /nfs/dbraw/zinc/97/64/39/387976439.db2.gz DEMOPUKHCDYRKD-UPJWGTAASA-N 0 3 241.375 2.301 10 0 BEAEHN CC[C@H](C)[C@@H](C)N[C@H]1CCCn2nc(C)nc21 ZINC000246280756 388027252 /nfs/dbraw/zinc/02/72/52/388027252.db2.gz BNDNFGLXJLRDRR-UMNHJUIQSA-N 0 3 236.363 2.446 10 0 BEAEHN Cc1cc(CN2C[C@H]3CCCCN3C[C@@H]2C)on1 ZINC000083704380 388059751 /nfs/dbraw/zinc/05/97/51/388059751.db2.gz ZUDUXFXBBWLIJM-QWHCGFSZSA-N 0 3 249.358 2.042 10 0 BEAEHN Cc1cc(CN2C[C@H]3CCCCN3C[C@@H]2C)no1 ZINC000083704393 388059763 /nfs/dbraw/zinc/05/97/63/388059763.db2.gz VGBBSHPNAMSFSW-SMDDNHRTSA-N 0 3 249.358 2.042 10 0 BEAEHN C[C@@H](NCc1ccncc1Cl)[C@H]1CCCO1 ZINC000084084770 388070148 /nfs/dbraw/zinc/07/01/48/388070148.db2.gz FSXCKJDYDANUGC-BXKDBHETSA-N 0 3 240.734 2.392 10 0 BEAEHN CN[C@@H](C)C(=O)c1cc(C)c(C)cc1C ZINC000071509770 388095799 /nfs/dbraw/zinc/09/57/99/388095799.db2.gz LADJRHTVATTWAT-NSHDSACASA-N 0 3 205.301 2.402 10 0 BEAEHN CC[C@H]1CN2CCC[C@@H]2CN1CC(F)(F)F ZINC000086930609 388110774 /nfs/dbraw/zinc/11/07/74/388110774.db2.gz HDMQXWFULGEORO-VHSXEESVSA-N 0 3 236.281 2.107 10 0 BEAEHN Fc1cc([C@@H]2CNCCO2)ccc1Cl ZINC000082969581 388137418 /nfs/dbraw/zinc/13/74/18/388137418.db2.gz MTPZMIBDMOCQOH-JTQLQIEISA-N 0 3 215.655 2.140 10 0 BEAEHN CC(C)C1(NCC(=O)Nc2ccccc2)CC1 ZINC000293035374 388386888 /nfs/dbraw/zinc/38/68/88/388386888.db2.gz QBZMZJBCHCIJNM-UHFFFAOYSA-N 0 3 232.327 2.403 10 0 BEAEHN Cc1nnc(CN[C@H]2CCC[C@@H]2CCF)s1 ZINC000393788692 388442205 /nfs/dbraw/zinc/44/22/05/388442205.db2.gz BXYPOXVDJLZOSA-ZJUUUORDSA-N 0 3 243.351 2.464 10 0 BEAEHN C[C@H]1C[C@H](O)CN(Cc2ccccc2F)C1 ZINC000334748830 388446812 /nfs/dbraw/zinc/44/68/12/388446812.db2.gz ZZKZLSCZTNEIGX-JQWIXIFHSA-N 0 3 223.291 2.028 10 0 BEAEHN C[C@H]1C[C@H](O)CN(Cc2cccc(F)c2)C1 ZINC000334745997 388446932 /nfs/dbraw/zinc/44/69/32/388446932.db2.gz MQRFFHIJIGLGHS-GWCFXTLKSA-N 0 3 223.291 2.028 10 0 BEAEHN COc1ccc(C)cc1CN1C[C@@H](C)C[C@H](O)C1 ZINC000334746162 388447568 /nfs/dbraw/zinc/44/75/68/388447568.db2.gz OHGOXMWVUZSJSD-JSGCOSHPSA-N 0 3 249.354 2.206 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCO[C@@H]2C)o1 ZINC000134244500 388474695 /nfs/dbraw/zinc/47/46/95/388474695.db2.gz JHHJYYSPTNLXSM-BXKDBHETSA-N 0 3 209.289 2.109 10 0 BEAEHN C[C@H]1[C@H](O)CCCN1Cc1ccc(F)cc1 ZINC000295130100 388409007 /nfs/dbraw/zinc/40/90/07/388409007.db2.gz YINOMVVUPVXFKV-GXFFZTMASA-N 0 3 223.291 2.171 10 0 BEAEHN NCC[S@](=O)c1cc(Cl)ccc1Cl ZINC000040954744 388430066 /nfs/dbraw/zinc/43/00/66/388430066.db2.gz JYHWGCPBVIWGTJ-CYBMUJFWSA-N 0 3 238.139 2.060 10 0 BEAEHN CO[C@@H]1C[C@H](N[C@@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396010 388437636 /nfs/dbraw/zinc/43/76/36/388437636.db2.gz PPABHNZJJLJQEE-ZMLRMANQSA-N 0 3 235.331 2.018 10 0 BEAEHN CC[C@@H](NCc1nncn1CC)[C@H]1CC1(C)C ZINC000397654865 388487555 /nfs/dbraw/zinc/48/75/55/388487555.db2.gz BLRNNAPBAIBRLJ-GHMZBOCLSA-N 0 3 236.363 2.212 10 0 BEAEHN CCC[C@H](C(=O)NCc1ccsc1)N(C)C ZINC000178648570 388503082 /nfs/dbraw/zinc/50/30/82/388503082.db2.gz JKZBFKPTJRZXOU-LLVKDONJSA-N 0 3 240.372 2.095 10 0 BEAEHN NCc1cnc(-c2ccc3c(c2)CCOC3)s1 ZINC000530248766 388640373 /nfs/dbraw/zinc/64/03/73/388640373.db2.gz SUMSJCPAWJPPQJ-UHFFFAOYSA-N 0 3 246.335 2.342 10 0 BEAEHN C[C@H]1OCC[C@@]1(N)c1sccc1Cl ZINC000575449295 388728584 /nfs/dbraw/zinc/72/85/84/388728584.db2.gz GDUUIXAAUJWKOB-MUWHJKNJSA-N 0 3 217.721 2.364 10 0 BEAEHN N[C@@]1(c2ccns2)CCCSCC1 ZINC000575454467 388763013 /nfs/dbraw/zinc/76/30/13/388763013.db2.gz YJTMVAAJPXABRX-VIFPVBQESA-N 0 3 214.359 2.214 10 0 BEAEHN CC(C)Oc1ccccc1CNCC1CC(O)C1 ZINC000091423664 388763215 /nfs/dbraw/zinc/76/32/15/388763215.db2.gz LRTYAQWDISMWDO-UHFFFAOYSA-N 0 3 249.354 2.334 10 0 BEAEHN C[C@H]1C[C@H]1c1ccc(CNCC2CC(O)C2)o1 ZINC000091538269 388767078 /nfs/dbraw/zinc/76/70/78/388767078.db2.gz QGDQIBFPCVLETN-HHISKICNSA-N 0 3 235.327 2.264 10 0 BEAEHN CCN1CCC[C@H](N[C@H](C)c2cscn2)C1 ZINC000252787492 388783332 /nfs/dbraw/zinc/78/33/32/388783332.db2.gz AETUNCZGALNFNL-MNOVXSKESA-N 0 3 239.388 2.278 10 0 BEAEHN N[C@H](c1cncs1)[C@H]1CCCCS1 ZINC000575463411 388828370 /nfs/dbraw/zinc/82/83/70/388828370.db2.gz ZYQAZJQTIVOYHB-APPZFPTMSA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@@H]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2C)C1 ZINC000129881811 388875261 /nfs/dbraw/zinc/87/52/61/388875261.db2.gz GAJRXSYJVPQOKC-UPJWGTAASA-N 0 3 238.375 2.023 10 0 BEAEHN C[C@H]1C[C@H](C)CN(c2cccc(CN)n2)C1 ZINC000051396420 132359969 /nfs/dbraw/zinc/35/99/69/132359969.db2.gz YDRMIQHGBKFYNB-QWRGUYRKSA-N 0 3 219.332 2.023 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(c2cccc(CN)n2)C1 ZINC000051396419 132360079 /nfs/dbraw/zinc/36/00/79/132360079.db2.gz YDRMIQHGBKFYNB-PHIMTYICSA-N 0 3 219.332 2.023 10 0 BEAEHN C[C@H]1CNCCN1c1ccc2ccccc2n1 ZINC000054375202 132233673 /nfs/dbraw/zinc/23/36/73/132233673.db2.gz ZHHPVIMHTHKKIZ-NSHDSACASA-N 0 3 227.311 2.033 10 0 BEAEHN CN1CCC(N2c3ccccc3CCC2=O)CC1 ZINC000013832016 132322430 /nfs/dbraw/zinc/32/24/30/132322430.db2.gz GHHVFWVJSZMLIP-UHFFFAOYSA-N 0 3 244.338 2.060 10 0 BEAEHN C[C@@H]1CN(c2cccc(Cl)c2CN)CCO1 ZINC000020469610 132331814 /nfs/dbraw/zinc/33/18/14/132331814.db2.gz DXWNZBCEBUIFIN-SECBINFHSA-N 0 3 240.734 2.024 10 0 BEAEHN C[C@@H]1CNCCN1c1ccccc1Cl ZINC000035940211 132339994 /nfs/dbraw/zinc/33/99/94/132339994.db2.gz FWVMIKAOFFJLOT-SECBINFHSA-N 0 3 210.708 2.138 10 0 BEAEHN CC(C)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186807 132343579 /nfs/dbraw/zinc/34/35/79/132343579.db2.gz HMQKCSYQDWGDNG-LBPRGKRZSA-N 0 3 232.327 2.340 10 0 BEAEHN CC[C@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186672 132343582 /nfs/dbraw/zinc/34/35/82/132343582.db2.gz WWUUKOYBNJJXRX-CMPLNLGQSA-N 0 3 232.327 2.482 10 0 BEAEHN CC[C@@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186671 132343764 /nfs/dbraw/zinc/34/37/64/132343764.db2.gz WWUUKOYBNJJXRX-ZYHUDNBSSA-N 0 3 232.327 2.482 10 0 BEAEHN FC(F)Sc1ccccc1N1CCNCC1 ZINC000037483448 132344724 /nfs/dbraw/zinc/34/47/24/132344724.db2.gz GLEFYNCMPQICLP-UHFFFAOYSA-N 0 3 244.310 2.411 10 0 BEAEHN C[C@H]1CNCCN1c1cc(Cl)ccc1F ZINC000038247137 132346087 /nfs/dbraw/zinc/34/60/87/132346087.db2.gz DHQGBGMOFXIOBH-QMMMGPOBSA-N 0 3 228.698 2.277 10 0 BEAEHN C[C@@H]1CNCCN1c1ccc(Cl)c(F)c1 ZINC000038247136 132346114 /nfs/dbraw/zinc/34/61/14/132346114.db2.gz VNFJVUAMNMWJRT-MRVPVSSYSA-N 0 3 228.698 2.277 10 0 BEAEHN NCc1ccccc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000044420325 132354002 /nfs/dbraw/zinc/35/40/02/132354002.db2.gz YPTABHYJLQVAPD-GJZGRUSLSA-N 0 3 246.354 2.293 10 0 BEAEHN CC1CCN(c2ncc(CN)cc2Cl)CC1 ZINC000051396111 132360008 /nfs/dbraw/zinc/36/00/08/132360008.db2.gz NUHJUBIIWLIATM-UHFFFAOYSA-N 0 3 239.750 2.430 10 0 BEAEHN CNCc1cccc(N2CCC[C@@H](C)C2)n1 ZINC000051399860 132360729 /nfs/dbraw/zinc/36/07/29/132360729.db2.gz HBSVDJLSNLPFRQ-LLVKDONJSA-N 0 3 219.332 2.037 10 0 BEAEHN CCO[C@H]1CCCN(c2cc(C)ccc2CN)C1 ZINC000051579563 132361627 /nfs/dbraw/zinc/36/16/27/132361627.db2.gz OSYIHIKKCZNNCL-AWEZNQCLSA-N 0 3 248.370 2.459 10 0 BEAEHN CN1c2ccccc2[C@H](NC2CCC2)CC1=O ZINC000052208587 132362215 /nfs/dbraw/zinc/36/22/15/132362215.db2.gz OJDBEXDXNXVONR-GFCCVEGCSA-N 0 3 230.311 2.236 10 0 BEAEHN Cc1cc(N)ccc1N1CCN(C(C)C)CC1 ZINC000057579530 132365862 /nfs/dbraw/zinc/36/58/62/132365862.db2.gz FIQQRBYHLJVKKP-UHFFFAOYSA-N 0 3 233.359 2.108 10 0 BEAEHN CC1(C)CCN(c2ccnc(CN)c2)CC1 ZINC000061817970 132387230 /nfs/dbraw/zinc/38/72/30/132387230.db2.gz DUYPVTFGSRTKKT-UHFFFAOYSA-N 0 3 219.332 2.167 10 0 BEAEHN C[C@@H]1CNCCN1c1cccc2ncccc21 ZINC000083355593 132422188 /nfs/dbraw/zinc/42/21/88/132422188.db2.gz HBXXXWOXNXDJGM-LLVKDONJSA-N 0 3 227.311 2.033 10 0 BEAEHN FC1(F)CCC[C@H]1CN1CCN(C2CC2)CC1 ZINC000336202012 134130912 /nfs/dbraw/zinc/13/09/12/134130912.db2.gz YWCSUECLYFRTAL-NSHDSACASA-N 0 3 244.329 2.202 10 0 BEAEHN O=C(CC1=CCCCC1)N1CCN2CCC[C@H]2C1 ZINC000170946074 134255709 /nfs/dbraw/zinc/25/57/09/134255709.db2.gz NNMWFCOMSIFQJM-AWEZNQCLSA-N 0 3 248.370 2.184 10 0 BEAEHN COCCOCCN1CCC[C@H]1c1ccco1 ZINC000175679796 134286610 /nfs/dbraw/zinc/28/66/10/134286610.db2.gz PQNCSGCTHPLDPZ-LBPRGKRZSA-N 0 3 239.315 2.080 10 0 BEAEHN C[C@H](N[C@@H](C)C1CCC1)c1nnc2n1CCCC2 ZINC000178075010 134303066 /nfs/dbraw/zinc/30/30/66/134303066.db2.gz DWZNCKRENSNTLC-QWRGUYRKSA-N 0 3 248.374 2.454 10 0 BEAEHN CC[C@H](C)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182682102 134346973 /nfs/dbraw/zinc/34/69/73/134346973.db2.gz KGMBXMIFARLQQX-WDEREUQCSA-N 0 3 222.336 2.378 10 0 BEAEHN COc1c(CNCC2(C)CCC2)c(C)nn1C ZINC000226787478 134369094 /nfs/dbraw/zinc/36/90/94/134369094.db2.gz GWWQRYDUVQCPLD-UHFFFAOYSA-N 0 3 237.347 2.017 10 0 BEAEHN OCC[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000227567609 134383333 /nfs/dbraw/zinc/38/33/33/134383333.db2.gz ISGCDDSHIHSREW-SZTZYQKNSA-N 0 3 231.339 2.404 10 0 BEAEHN Cc1csc([C@@H]2CCCN(C[C@H](C)O)C2)n1 ZINC000248706108 135019763 /nfs/dbraw/zinc/01/97/63/135019763.db2.gz ANESQSSBBBQUOF-WDEREUQCSA-N 0 3 240.372 2.012 10 0 BEAEHN CSC[C@H](O)CN1CCC[C@H]1c1ccco1 ZINC000249434230 135039067 /nfs/dbraw/zinc/03/90/67/135039067.db2.gz ICSDNOPPHMSMBD-MNOVXSKESA-N 0 3 241.356 2.140 10 0 BEAEHN CSCCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252520517 135092083 /nfs/dbraw/zinc/09/20/83/135092083.db2.gz QKKJJDPGHJXLNK-OLZOCXBDSA-N 0 3 242.432 2.298 10 0 BEAEHN C[C@@H](O)[C@@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000087128952 135106787 /nfs/dbraw/zinc/10/67/87/135106787.db2.gz OMDKABLLROZFNL-KXUCPTDWSA-N 0 3 211.280 2.246 10 0 BEAEHN CCC[C@](C)(N)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261554877 135194278 /nfs/dbraw/zinc/19/42/78/135194278.db2.gz PGICCSZHWSDYDD-SCRDCRAPSA-N 0 3 238.375 2.153 10 0 BEAEHN CC[C@H](NCc1ccn(C)n1)C(C)(C)C ZINC000163913453 135208289 /nfs/dbraw/zinc/20/82/89/135208289.db2.gz SGNIZSZAVUUEQP-NSHDSACASA-N 0 3 209.337 2.334 10 0 BEAEHN CCc1nnc(CN[C@H]2CCC[C@H]2CC)n1C ZINC000348149135 136040078 /nfs/dbraw/zinc/04/00/78/136040078.db2.gz IZAZXXNNNJQIIT-MNOVXSKESA-N 0 3 236.363 2.046 10 0 BEAEHN CC[C@@](C)(O)CN[C@H](C)c1ncc(C)s1 ZINC000119383772 171185410 /nfs/dbraw/zinc/18/54/10/171185410.db2.gz IRPNONPVTFAPIH-MWLCHTKSSA-N 0 3 228.361 2.263 10 0 BEAEHN CCC[C@H](C(=O)N1Cc2ccccc2C1)N(C)C ZINC000153093364 397740065 /nfs/dbraw/zinc/74/00/65/397740065.db2.gz NKUQTRPOJMDUNC-CQSZACIVSA-N 0 3 246.354 2.259 10 0 BEAEHN C[C@@H]1CSC(N[C@@H]2CC23CCCC3)=N1 ZINC000306884132 397935689 /nfs/dbraw/zinc/93/56/89/397935689.db2.gz PZDUGKCBZDHOMZ-RKDXNWHRSA-N 0 3 210.346 2.400 10 0 BEAEHN CC1(C)C[C@]1(N)c1ccc(Br)cn1 ZINC000575592500 397991976 /nfs/dbraw/zinc/99/19/76/397991976.db2.gz VIDLPJNULYYWDN-JTQLQIEISA-N 0 3 241.132 2.428 10 0 BEAEHN N[C@H](C[C@@H]1CCCCO1)c1ccsn1 ZINC000307160601 397993042 /nfs/dbraw/zinc/99/30/42/397993042.db2.gz DUCSAEFQTNZGOI-DTWKUNHWSA-N 0 3 212.318 2.102 10 0 BEAEHN CC(C)N1CCc2c(CO)csc2C1 ZINC000156710351 398040308 /nfs/dbraw/zinc/04/03/08/398040308.db2.gz RXRLXUSJGZENRV-UHFFFAOYSA-N 0 3 211.330 2.007 10 0 BEAEHN COc1cccc([C@@H](CCN(C)C)C(C)=O)c1 ZINC000584627371 398080142 /nfs/dbraw/zinc/08/01/42/398080142.db2.gz VMNDUSNVXOKPII-AWEZNQCLSA-N 0 3 235.327 2.320 10 0 BEAEHN C[C@H](Cn1cc(C(C)(C)N)nn1)c1ccccc1 ZINC000384705101 398102759 /nfs/dbraw/zinc/10/27/59/398102759.db2.gz FLKZSFTVMBMPQZ-LLVKDONJSA-N 0 3 244.342 2.276 10 0 BEAEHN C(CN1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCCO1 ZINC000188781086 398130341 /nfs/dbraw/zinc/13/03/41/398130341.db2.gz CKQZXRSNMMWANF-MELADBBJSA-N 0 3 239.359 2.199 10 0 BEAEHN CC(C)NCc1cc(CN2CCCCC2)on1 ZINC000052421223 167117606 /nfs/dbraw/zinc/11/76/06/167117606.db2.gz FJDDUSMDUCERCO-UHFFFAOYSA-N 0 3 237.347 2.159 10 0 BEAEHN CC(C)NCc1nc2cc(F)ccc2[nH]1 ZINC000037474935 167122142 /nfs/dbraw/zinc/12/21/42/167122142.db2.gz FWUCTIDEVNSFCX-UHFFFAOYSA-N 0 3 207.252 2.200 10 0 BEAEHN CC(C)N[C@H]1COc2c1cc(F)cc2F ZINC000035653399 167141968 /nfs/dbraw/zinc/14/19/68/167141968.db2.gz FRTSJZPKPHRVFL-JTQLQIEISA-N 0 3 213.227 2.396 10 0 BEAEHN CC(C)OCCO[C@H](CN)c1ccccc1F ZINC000043047625 167249032 /nfs/dbraw/zinc/24/90/32/167249032.db2.gz JQCZWFIWFAHKGL-CYBMUJFWSA-N 0 3 241.306 2.267 10 0 BEAEHN Cc1ccc([C@H](C)NCC2CC(O)C2)o1 ZINC000084446621 322913441 /nfs/dbraw/zinc/91/34/41/322913441.db2.gz KJMSDMYTECVXKW-WHXUTIOJSA-N 0 3 209.289 2.010 10 0 BEAEHN CC[C@H](NCc1cncs1)[C@@H]1CCCO1 ZINC000119665015 487610171 /nfs/dbraw/zinc/61/01/71/487610171.db2.gz REQYKAASJGJMEG-QWRGUYRKSA-N 0 3 226.345 2.190 10 0 BEAEHN CCOc1c(CN)cccc1OC(C)C ZINC000521400364 487611186 /nfs/dbraw/zinc/61/11/86/487611186.db2.gz IHZWMUQLDWQSRM-UHFFFAOYSA-N 0 3 209.289 2.331 10 0 BEAEHN Brc1cccc([C@H]2CNCO2)c1 ZINC000071533575 166100733 /nfs/dbraw/zinc/10/07/33/166100733.db2.gz JKIVUDSWBZXIJR-SECBINFHSA-N 0 3 228.089 2.068 10 0 BEAEHN Brc1cccc(CNC2CC2)n1 ZINC000083355114 166101697 /nfs/dbraw/zinc/10/16/97/166101697.db2.gz MIQPBBQUMLUUGN-UHFFFAOYSA-N 0 3 227.105 2.096 10 0 BEAEHN Brc1cccnc1[C@H]1CCCN1 ZINC000083323800 166103477 /nfs/dbraw/zinc/10/34/77/166103477.db2.gz QDKPSJFPVOQGKZ-MRVPVSSYSA-N 0 3 227.105 2.269 10 0 BEAEHN C[C@@H]1CCN(C(=O)[C@]2(C)CCCCN2)[C@H](C)C1 ZINC000133407949 410327008 /nfs/dbraw/zinc/32/70/08/410327008.db2.gz ZRSMLCFJMWCNJG-BZPMIXESSA-N 0 3 238.375 2.166 10 0 BEAEHN CC(C)n1ncnc1CNCCC(C)(C)C ZINC000130003929 410391001 /nfs/dbraw/zinc/39/10/01/410391001.db2.gz QLDABIULLAWXAG-UHFFFAOYSA-N 0 3 224.352 2.385 10 0 BEAEHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](N)C1 ZINC000082048301 166659007 /nfs/dbraw/zinc/65/90/07/166659007.db2.gz UQVRIGBITJSZJX-LBPRGKRZSA-N 0 3 248.326 2.437 10 0 BEAEHN CC(C)CN[C@@](C(N)=O)(c1ccccc1)C(C)C ZINC000037951959 167011546 /nfs/dbraw/zinc/01/15/46/167011546.db2.gz FOFVEUMDJRSCGP-OAHLLOKOSA-N 0 3 248.370 2.269 10 0 BEAEHN CC(C)CN[C@H]1COc2cc(O)ccc21 ZINC000019883224 167015520 /nfs/dbraw/zinc/01/55/20/167015520.db2.gz GLVYAFJKPFJVSQ-NSHDSACASA-N 0 3 207.273 2.071 10 0 BEAEHN CC(C)NCC(=O)Nc1cc(Cl)ccc1F ZINC000037385976 167098222 /nfs/dbraw/zinc/09/82/22/167098222.db2.gz STKAWLHAFHILLA-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CC(C)NCc1cc(N2CCCC2)ccn1 ZINC000051399128 167117529 /nfs/dbraw/zinc/11/75/29/167117529.db2.gz VMRRWQFCRUGAQQ-UHFFFAOYSA-N 0 3 219.332 2.180 10 0 BEAEHN CC(C)NCc1nc(-c2cnn(C)c2)cs1 ZINC000053295600 167121708 /nfs/dbraw/zinc/12/17/08/167121708.db2.gz QYUZCASARQEXFP-UHFFFAOYSA-N 0 3 236.344 2.042 10 0 BEAEHN CC(C)N[C@H]1CC[S@@](=O)c2ccccc21 ZINC000040973555 167142849 /nfs/dbraw/zinc/14/28/49/167142849.db2.gz NJXMGUSDMLLRST-NHYWBVRUSA-N 0 3 223.341 2.237 10 0 BEAEHN CC(C)OCCO[C@@H]1Cc2ccccc2[C@@H]1N ZINC000019282831 167248953 /nfs/dbraw/zinc/24/89/53/167248953.db2.gz NKHKRQIQNKMOLD-KGLIPLIRSA-N 0 3 235.327 2.053 10 0 BEAEHN CC(C)OCCO[C@@H]1Cc2ccccc2[C@H]1N ZINC000019282835 167249242 /nfs/dbraw/zinc/24/92/42/167249242.db2.gz NKHKRQIQNKMOLD-ZIAGYGMSSA-N 0 3 235.327 2.053 10 0 BEAEHN CC(C)Oc1ccc(-c2c[nH]c(N)n2)cc1 ZINC000071520077 167287882 /nfs/dbraw/zinc/28/78/82/167287882.db2.gz JVPXRNVJYUITLE-UHFFFAOYSA-N 0 3 217.272 2.446 10 0 BEAEHN CC(C)Oc1cccc(CNC2(CO)CC2)c1 ZINC000120337686 167306218 /nfs/dbraw/zinc/30/62/18/167306218.db2.gz PVMVFIVNWWVSKF-UHFFFAOYSA-N 0 3 235.327 2.088 10 0 BEAEHN CC(C)Sc1nc2sccn2c1CN ZINC000031972553 167338924 /nfs/dbraw/zinc/33/89/24/167338924.db2.gz VJGLZNOHGVRGEZ-UHFFFAOYSA-N 0 3 227.358 2.355 10 0 BEAEHN CC(C)[C@@H](C)N(C)CC(=O)Nc1cccc(N)c1 ZINC000036786501 167368463 /nfs/dbraw/zinc/36/84/63/167368463.db2.gz YLAZZTINQZYCTQ-LLVKDONJSA-N 0 3 249.358 2.184 10 0 BEAEHN CC(C)[C@@H](C)NCc1ncc(CN(C)C)s1 ZINC000309325478 167384637 /nfs/dbraw/zinc/38/46/37/167384637.db2.gz GKFCWHAZKQYSQE-SNVBAGLBSA-N 0 3 241.404 2.339 10 0 BEAEHN CC(C)c1cc(CN)c(OC2CC2)cn1 ZINC000095737903 167570663 /nfs/dbraw/zinc/57/06/63/167570663.db2.gz KAABSYXTZGEFJU-UHFFFAOYSA-N 0 3 206.289 2.205 10 0 BEAEHN COc1ccc(CCNCc2cc(C)no2)cc1 ZINC000106078574 411116949 /nfs/dbraw/zinc/11/69/49/411116949.db2.gz NKHKVELEVCCMGF-UHFFFAOYSA-N 0 3 246.310 2.324 10 0 BEAEHN CCC[C@H](N[C@@H]1CCNC1=O)c1ccccc1 ZINC000658053034 411220139 /nfs/dbraw/zinc/22/01/39/411220139.db2.gz JMXKOZIQAKWRHZ-QWHCGFSZSA-N 0 3 232.327 2.006 10 0 BEAEHN CC[C@H](NC(=O)CNC1CC1)c1ccccc1 ZINC000051628616 411280270 /nfs/dbraw/zinc/28/02/70/411280270.db2.gz INRVABJKJMKKMP-ZDUSSCGKSA-N 0 3 232.327 2.006 10 0 BEAEHN Cc1cccc2c1CC[C@@H]2N[C@@H]1CCOC1 ZINC000129427933 411286994 /nfs/dbraw/zinc/28/69/94/411286994.db2.gz FVIUIDZKIGDCOD-RISCZKNCSA-N 0 3 217.312 2.361 10 0 BEAEHN CC1CCN(C[C@H](O)c2ccco2)CC1 ZINC000032012293 168182435 /nfs/dbraw/zinc/18/24/35/168182435.db2.gz ZPWGMLQYKKWHKY-NSHDSACASA-N 0 3 209.289 2.045 10 0 BEAEHN CC1CCN(C[C@H](N)c2cccs2)CC1 ZINC000019821523 168183173 /nfs/dbraw/zinc/18/31/73/168183173.db2.gz OEQAKERCIGXHON-NSHDSACASA-N 0 3 224.373 2.480 10 0 BEAEHN CCC(=O)CCCN1CCC[C@H]1c1cnn(C)c1 ZINC000310793384 168198949 /nfs/dbraw/zinc/19/89/49/168198949.db2.gz FACZJHXJFARHKW-AWEZNQCLSA-N 0 3 249.358 2.316 10 0 BEAEHN CCC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000082368902 168252553 /nfs/dbraw/zinc/25/25/53/168252553.db2.gz YWWQSQGMLOADOH-CYBMUJFWSA-N 0 3 217.312 2.488 10 0 BEAEHN CCC(C)(C)NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000122859511 168289628 /nfs/dbraw/zinc/28/96/28/168289628.db2.gz ZSWIVCHOMKNQKM-VXGBXAGGSA-N 0 3 240.391 2.269 10 0 BEAEHN Cc1cc(C(C)C)nc(NC[C@@H](C)N(C)C)n1 ZINC000122386479 411431457 /nfs/dbraw/zinc/43/14/57/411431457.db2.gz ZKULWVRPJGYSSB-LLVKDONJSA-N 0 3 236.363 2.270 10 0 BEAEHN O[C@@H]1CCCC[C@H]1N[C@@H]1CCOc2ccccc21 ZINC000216530408 411497588 /nfs/dbraw/zinc/49/75/88/411497588.db2.gz FACCUMLCBBAJBD-MGPQQGTHSA-N 0 3 247.338 2.403 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000659920940 411498972 /nfs/dbraw/zinc/49/89/72/411498972.db2.gz XYJDAOLZEGLXAA-RFQIPJPRSA-N 0 3 241.375 2.037 10 0 BEAEHN CCN1CC[C@@H](N[C@@H](C)c2ccsc2)C1 ZINC000328339209 170013713 /nfs/dbraw/zinc/01/37/13/170013713.db2.gz KIAZMQWXSLBHQD-CMPLNLGQSA-N 0 3 224.373 2.493 10 0 BEAEHN CCN1CC[C@H](N[C@H]2CCCc3occc32)C1 ZINC000328380139 170022140 /nfs/dbraw/zinc/02/21/40/170022140.db2.gz VAZMPTJXRHWWDL-AAEUAGOBSA-N 0 3 234.343 2.341 10 0 BEAEHN CCN1CC[C@H](N[C@H](C)c2ccsc2)C1 ZINC000328339212 170023060 /nfs/dbraw/zinc/02/30/60/170023060.db2.gz KIAZMQWXSLBHQD-PWSUYJOCSA-N 0 3 224.373 2.493 10 0 BEAEHN CCN1Cc2c(cccc2Cl)[C@@H]1CN ZINC000082701401 170041217 /nfs/dbraw/zinc/04/12/17/170041217.db2.gz URMCNEDDVHWQBP-NSHDSACASA-N 0 3 210.708 2.175 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1cccnc1Cl ZINC000061291290 170107877 /nfs/dbraw/zinc/10/78/77/170107877.db2.gz MEEGEMCKLVZQHL-UHFFFAOYSA-N 0 3 241.722 2.062 10 0 BEAEHN CCNCC(=O)c1cc(C)c(C)cc1C ZINC000071509771 170109194 /nfs/dbraw/zinc/10/91/94/170109194.db2.gz JBEQSSOWPVMGDE-UHFFFAOYSA-N 0 3 205.301 2.404 10 0 BEAEHN CCNCc1c(N(C)C(C)C)nc2ccccn21 ZINC000035434146 170124058 /nfs/dbraw/zinc/12/40/58/170124058.db2.gz ARXMNVGXSAJDQH-UHFFFAOYSA-N 0 3 246.358 2.288 10 0 BEAEHN CCNCc1c(Cl)cccc1-n1cncn1 ZINC000034825220 170124832 /nfs/dbraw/zinc/12/48/32/170124832.db2.gz AFZAAZSZFRIGPN-UHFFFAOYSA-N 0 3 236.706 2.030 10 0 BEAEHN CCNCc1cc(C)nc(-c2ccco2)n1 ZINC000054831143 170125206 /nfs/dbraw/zinc/12/52/06/170125206.db2.gz XPBOXWFWQYIOKR-UHFFFAOYSA-N 0 3 217.272 2.155 10 0 BEAEHN CCNCc1cc(Cn2cc(C)cn2)oc1C ZINC000052576852 170125794 /nfs/dbraw/zinc/12/57/94/170125794.db2.gz VMXLMESXTBONDF-UHFFFAOYSA-N 0 3 233.315 2.251 10 0 BEAEHN CCNCc1cc(COCCCOC)c(C)o1 ZINC000052597867 170125863 /nfs/dbraw/zinc/12/58/63/170125863.db2.gz CMOHQHFZYHKQGP-UHFFFAOYSA-N 0 3 241.331 2.251 10 0 BEAEHN CCNCc1cc(C)nc(-c2ncccc2C)n1 ZINC000054831282 170125880 /nfs/dbraw/zinc/12/58/80/170125880.db2.gz VZZCMKJVJOVRJY-UHFFFAOYSA-N 0 3 242.326 2.265 10 0 BEAEHN CCNCc1cccnc1N1CCC[C@@H]1C ZINC000051398760 170129638 /nfs/dbraw/zinc/12/96/38/170129638.db2.gz XIIZWEUUQGTTPA-NSHDSACASA-N 0 3 219.332 2.180 10 0 BEAEHN CCNCc1cnc(C2CCCC2)nc1 ZINC000054855694 170130133 /nfs/dbraw/zinc/13/01/33/170130133.db2.gz XCAOCVWGRAWHPC-UHFFFAOYSA-N 0 3 205.305 2.244 10 0 BEAEHN CCNCc1cnc(N2CCCCC2)s1 ZINC000054901052 170130187 /nfs/dbraw/zinc/13/01/87/170130187.db2.gz PCGPNQTXPBCTDD-UHFFFAOYSA-N 0 3 225.361 2.243 10 0 BEAEHN CCNCc1cnc(N2CCC(C)CC2)s1 ZINC000054899879 170130409 /nfs/dbraw/zinc/13/04/09/170130409.db2.gz PMLVOLUIPBNMBT-UHFFFAOYSA-N 0 3 239.388 2.489 10 0 BEAEHN CCNCc1csc(-c2cccnc2)n1 ZINC000040999605 170130604 /nfs/dbraw/zinc/13/06/04/170130604.db2.gz OUXUIRHOHHGILP-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1nc(-c2ccccn2)cs1 ZINC000053294246 170130696 /nfs/dbraw/zinc/13/06/96/170130696.db2.gz QCKAHAPJKPSSRC-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1nc(-c2ccco2)c(C)[nH]1 ZINC000054085351 170131088 /nfs/dbraw/zinc/13/10/88/170131088.db2.gz ACYSFFXESXZZHM-UHFFFAOYSA-N 0 3 205.261 2.088 10 0 BEAEHN CCNCc1nn(CC)nc1-c1ccccc1 ZINC000045944830 170131568 /nfs/dbraw/zinc/13/15/68/170131568.db2.gz WPQMAGVAPLECFV-UHFFFAOYSA-N 0 3 230.315 2.075 10 0 BEAEHN CCNCc1sc(CCOC)nc1CC ZINC000082422636 170132446 /nfs/dbraw/zinc/13/24/46/170132446.db2.gz VTHVSOIVWXDJCW-UHFFFAOYSA-N 0 3 228.361 2.004 10 0 BEAEHN CCNCc1sc(CN(C)C)nc1C1CC1 ZINC000082436937 170132993 /nfs/dbraw/zinc/13/29/93/170132993.db2.gz NEKLBLDVANGJMQ-UHFFFAOYSA-N 0 3 239.388 2.192 10 0 BEAEHN CCNCc1sc(CSC)nc1C ZINC000054497277 170133010 /nfs/dbraw/zinc/13/30/10/170133010.db2.gz JQSXGEOEDWLCSC-UHFFFAOYSA-N 0 3 216.375 2.424 10 0 BEAEHN CCN[C@@H](C)c1nc2cc(F)ccc2n1C ZINC000062366312 170142861 /nfs/dbraw/zinc/14/28/61/170142861.db2.gz BGJSSLQJESOZEB-QMMMGPOBSA-N 0 3 221.279 2.383 10 0 BEAEHN CCN[C@@H](C)c1cnc(-c2cnn(C)c2)s1 ZINC000054160322 170143281 /nfs/dbraw/zinc/14/32/81/170143281.db2.gz ARQSQQLOFDNGKO-QMMMGPOBSA-N 0 3 236.344 2.214 10 0 BEAEHN CCN[C@@H](CC)C(=O)c1cccc(OC)c1 ZINC000071523122 170144304 /nfs/dbraw/zinc/14/43/04/170144304.db2.gz NENFRSUWCQCVCW-LBPRGKRZSA-N 0 3 221.300 2.266 10 0 BEAEHN CCN[C@@H](CO)c1ccc(OCC)c(C)c1 ZINC000071531164 170145499 /nfs/dbraw/zinc/14/54/99/170145499.db2.gz WZEJDWRIOYWJFO-LBPRGKRZSA-N 0 3 223.316 2.037 10 0 BEAEHN CCN[C@H](c1cnn(C)c1)c1cccc(OC)c1 ZINC000035555920 170148557 /nfs/dbraw/zinc/14/85/57/170148557.db2.gz QFWHIWKMUWUTHE-AWEZNQCLSA-N 0 3 245.326 2.128 10 0 BEAEHN CCN[C@@H](c1nccs1)C1CCOCC1 ZINC000052179445 170149326 /nfs/dbraw/zinc/14/93/26/170149326.db2.gz PMKHXQINMDIZBV-SNVBAGLBSA-N 0 3 226.345 2.220 10 0 BEAEHN CCN[C@@H]1CCN([C@@H](C)C2CCCCC2)C1=O ZINC000052340294 170151367 /nfs/dbraw/zinc/15/13/67/170151367.db2.gz GWCOSLTZKUWRCM-WCQYABFASA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@@H]1CCOc2cc(OC)ccc21 ZINC000082504656 170152819 /nfs/dbraw/zinc/15/28/19/170152819.db2.gz FDKRIARYLLVKQC-LLVKDONJSA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647789 170153012 /nfs/dbraw/zinc/15/30/12/170153012.db2.gz QIVHGTLDNZRTRF-GFCCVEGCSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647797 170153115 /nfs/dbraw/zinc/15/31/15/170153115.db2.gz VFZKPFOQIRKRLC-CYBMUJFWSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@@H]1CCN([C@@H](C)c2cccs2)C1=O ZINC000049648755 170153118 /nfs/dbraw/zinc/15/31/18/170153118.db2.gz VZOADVKOOATAHI-VHSXEESVSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@@H]1COc2c1ccc1c2OC(C)(C)C1 ZINC000035653959 170153644 /nfs/dbraw/zinc/15/36/44/170153644.db2.gz SFAGIYJFZIXQIF-LLVKDONJSA-N 0 3 233.311 2.443 10 0 BEAEHN CCN[C@@H]1CC[S@](=O)c2ccc(C)cc21 ZINC000040974875 170153936 /nfs/dbraw/zinc/15/39/36/170153936.db2.gz IUMIFEIDZNCFKY-IAQYHMDHSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@@H]1CC[S@](=O)c2c(C)cc(C)cc21 ZINC000040974645 170153988 /nfs/dbraw/zinc/15/39/88/170153988.db2.gz UCRWJDFIRPRYKE-MLGOLLRUSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@H](C)c1cnn(C[C@H]2CCCCO2)c1 ZINC000054721256 170159921 /nfs/dbraw/zinc/15/99/21/170159921.db2.gz VKYGEAKLLMJJLF-DGCLKSJQSA-N 0 3 237.347 2.123 10 0 BEAEHN CCN[C@H](Cc1cccc(F)c1)c1cnn(C)c1 ZINC000035555801 170162754 /nfs/dbraw/zinc/16/27/54/170162754.db2.gz CTAKVLPVTARLTM-CQSZACIVSA-N 0 3 247.317 2.453 10 0 BEAEHN CCN[C@H](c1nccs1)C1CCOCC1 ZINC000052179446 170164701 /nfs/dbraw/zinc/16/47/01/170164701.db2.gz PMKHXQINMDIZBV-JTQLQIEISA-N 0 3 226.345 2.220 10 0 BEAEHN CCN[C@H](c1ccco1)[C@@H]1CCCOC1 ZINC000062234552 170164987 /nfs/dbraw/zinc/16/49/87/170164987.db2.gz UGRFARVEKRSUDG-PWSUYJOCSA-N 0 3 209.289 2.357 10 0 BEAEHN CCN[C@H](c1cnn(C)c1)c1cccs1 ZINC000035555511 170165094 /nfs/dbraw/zinc/16/50/94/170165094.db2.gz IDACQPWWXFFUAK-LLVKDONJSA-N 0 3 221.329 2.181 10 0 BEAEHN CCN[C@H]1CCC[S@](=O)c2ccccc21 ZINC000040973542 170166828 /nfs/dbraw/zinc/16/68/28/170166828.db2.gz DPGLLIVATZYEFP-XHDPSFHLSA-N 0 3 223.341 2.239 10 0 BEAEHN CCN[C@H]1CCN(C2CCCCCCC2)C1=O ZINC000049647322 170167137 /nfs/dbraw/zinc/16/71/37/170167137.db2.gz KXSHTWMHRSBTDS-ZDUSSCGKSA-N 0 3 238.375 2.310 10 0 BEAEHN CCN[C@H]1CCN(C[C@H]2CCCC[C@@H]2C)C1=O ZINC000042864342 170167670 /nfs/dbraw/zinc/16/76/70/170167670.db2.gz ZZGOABCGMJXKFP-XQQFMLRXSA-N 0 3 238.375 2.023 10 0 BEAEHN CCN[C@H]1CC[S@](=O)c2cc(F)c(F)cc21 ZINC000040976690 170168642 /nfs/dbraw/zinc/16/86/42/170168642.db2.gz ZOHIKKBCCPKWOK-MGPLVRAMSA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@H]1CCOc2c(OC)cccc21 ZINC000035652567 170168866 /nfs/dbraw/zinc/16/88/66/170168866.db2.gz YKEKEPPOSVSNCJ-JTQLQIEISA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@H]1CC[S@](=O)c2c(C)cc(C)cc21 ZINC000040974646 170168882 /nfs/dbraw/zinc/16/88/82/170168882.db2.gz UCRWJDFIRPRYKE-BLLLJJGKSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@H]1c2cc(C)cc(OC)c2O[C@@H]1C ZINC000043633319 170169908 /nfs/dbraw/zinc/16/99/08/170169908.db2.gz DDVMHIOJKIOQAZ-BXKDBHETSA-N 0 3 221.300 2.435 10 0 BEAEHN CCN[C@](C)(CO)c1ccc(Cl)cc1 ZINC000038120161 170170288 /nfs/dbraw/zinc/17/02/88/170170288.db2.gz ZJYKDAIZXAFGGL-LLVKDONJSA-N 0 3 213.708 2.157 10 0 BEAEHN CCNc1ccc(CN2CCC[C@H]2C)cn1 ZINC000050791683 170173402 /nfs/dbraw/zinc/17/34/02/170173402.db2.gz ZOKFKKQBLKSDRR-LLVKDONJSA-N 0 3 219.332 2.498 10 0 BEAEHN CCNc1ccc(CN2CCC(OC)CC2)cn1 ZINC000050813395 170173680 /nfs/dbraw/zinc/17/36/80/170173680.db2.gz GLWKWSSJABDNJQ-UHFFFAOYSA-N 0 3 249.358 2.124 10 0 BEAEHN CC[C@]1(C)COCCN1C[C@@H]1CCC[C@H](O)C1 ZINC000660150812 411547604 /nfs/dbraw/zinc/54/76/04/411547604.db2.gz ZWFUVOLGIBNWBI-HZSPNIEDSA-N 0 3 241.375 2.038 10 0 BEAEHN CCOC(=O)CCNCc1cc(C)ccc1C ZINC000045689262 170208931 /nfs/dbraw/zinc/20/89/31/170208931.db2.gz MSOZHXGPVGUCTE-UHFFFAOYSA-N 0 3 235.327 2.346 10 0 BEAEHN CCOC(CCNc1ccncc1)OCC ZINC000015042284 170315058 /nfs/dbraw/zinc/31/50/58/170315058.db2.gz GSCFCOHECNTJJE-UHFFFAOYSA-N 0 3 224.304 2.283 10 0 BEAEHN CCOCCN1CCC[C@@H](c2nccs2)C1 ZINC000195441592 170398187 /nfs/dbraw/zinc/39/81/87/170398187.db2.gz ZYUAOZOZRSRUCS-LLVKDONJSA-N 0 3 240.372 2.359 10 0 BEAEHN CCCc1nccnc1NCCN1CCCCC1 ZINC000663390779 411645878 /nfs/dbraw/zinc/64/58/78/411645878.db2.gz XCNAGCXIQZQJNG-UHFFFAOYSA-N 0 3 248.374 2.327 10 0 BEAEHN CC[C@@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000037140707 170755839 /nfs/dbraw/zinc/75/58/39/170755839.db2.gz RICICBYIETXHDI-MNOVXSKESA-N 0 3 236.363 2.454 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(C)n1 ZINC000129469771 170778197 /nfs/dbraw/zinc/77/81/97/170778197.db2.gz CSHZFHRZPSMFRY-BXKDBHETSA-N 0 3 235.331 2.010 10 0 BEAEHN CC[C@@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404659 170929702 /nfs/dbraw/zinc/92/97/02/170929702.db2.gz OMPAAYDBFXWUNV-GHMZBOCLSA-N 0 3 209.289 2.187 10 0 BEAEHN CC[C@@H]1CCc2nc(CNC)sc2C1 ZINC000053294102 171060370 /nfs/dbraw/zinc/06/03/70/171060370.db2.gz PRTVVJXXIWKMBF-MRVPVSSYSA-N 0 3 210.346 2.377 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCCF ZINC000303392607 171099518 /nfs/dbraw/zinc/09/95/18/171099518.db2.gz DBHKGKZOQHKXMZ-CHWSQXEVSA-N 0 3 228.355 2.295 10 0 BEAEHN CC[C@@H]1CNCCN1c1nc2ccccc2o1 ZINC000096300905 171100710 /nfs/dbraw/zinc/10/07/10/171100710.db2.gz JWYNOPKTWSEZLT-SNVBAGLBSA-N 0 3 231.299 2.016 10 0 BEAEHN CC[C@@H]1CNCCN1c1nc2ccccc2s1 ZINC000083377589 171102002 /nfs/dbraw/zinc/10/20/02/171102002.db2.gz XOSIVLZSBROKOJ-SNVBAGLBSA-N 0 3 247.367 2.485 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2cc(F)ccc2F)CN1 ZINC000036672794 171109226 /nfs/dbraw/zinc/10/92/26/171109226.db2.gz NRCTXZGBUBTUJR-BXKDBHETSA-N 0 3 227.254 2.404 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccccc2OC)CN1 ZINC000036986295 171110405 /nfs/dbraw/zinc/11/04/05/171110405.db2.gz FQGOSVGDJSCOBV-ZWNOBZJWSA-N 0 3 221.300 2.135 10 0 BEAEHN CC[C@@](C)(O)CN[C@@H](C)c1ncc(C)s1 ZINC000119383527 171184071 /nfs/dbraw/zinc/18/40/71/171184071.db2.gz IRPNONPVTFAPIH-GXSJLCMTSA-N 0 3 228.361 2.263 10 0 BEAEHN CC[C@H](C(N)=O)N1CCC(C(C)(C)C)CC1 ZINC000061679484 171242774 /nfs/dbraw/zinc/24/27/74/171242774.db2.gz SLXRYJRVRJWKIY-LLVKDONJSA-N 0 3 226.364 2.008 10 0 BEAEHN CC[C@H](C)C(=O)Nc1ccc(F)c(CN)c1 ZINC000051634751 171255748 /nfs/dbraw/zinc/25/57/48/171255748.db2.gz MZRHPUNSHANDAR-QMMMGPOBSA-N 0 3 224.279 2.269 10 0 BEAEHN CC[C@H](C)N(C)Cc1nc2cc(N)ccc2[nH]1 ZINC000037273403 171309896 /nfs/dbraw/zinc/30/98/96/171309896.db2.gz CORZIEGVAJTMBI-VIFPVBQESA-N 0 3 232.331 2.375 10 0 BEAEHN CC[C@H](C)N(C)Cc1nc2ccc(N)cc2[nH]1 ZINC000037273403 171309897 /nfs/dbraw/zinc/30/98/97/171309897.db2.gz CORZIEGVAJTMBI-VIFPVBQESA-N 0 3 232.331 2.375 10 0 BEAEHN CC[C@H](C)N(CC)[C@@H](CN)c1ccccn1 ZINC000037112764 171312427 /nfs/dbraw/zinc/31/24/27/171312427.db2.gz WJHPBOJLDWGGDM-AAEUAGOBSA-N 0 3 221.348 2.202 10 0 BEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1ccc(C)cc1C ZINC000038065545 171348640 /nfs/dbraw/zinc/34/86/40/171348640.db2.gz NQWHABYWCJGJPS-WFASDCNBSA-N 0 3 248.370 2.392 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nncn1C1CCCC1 ZINC000054526424 171372607 /nfs/dbraw/zinc/37/26/07/171372607.db2.gz RNLJJCQYVOAUAB-GXSJLCMTSA-N 0 3 222.336 2.439 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nc2ccccc2n1CCO ZINC000037900718 171372638 /nfs/dbraw/zinc/37/26/38/171372638.db2.gz JRXTUPHJCYYELD-GXFFZTMASA-N 0 3 247.342 2.075 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819553 171394002 /nfs/dbraw/zinc/39/40/02/171394002.db2.gz FZINFGACTNYDPG-UHTWSYAYSA-N 0 3 249.358 2.052 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000040462757 171396672 /nfs/dbraw/zinc/39/66/72/171396672.db2.gz UYSUOJLEXCPYQR-XRNSZHNASA-N 0 3 238.331 2.139 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc2c(c1)COC2 ZINC000182962803 171397033 /nfs/dbraw/zinc/39/70/33/171397033.db2.gz IEPUCKZLZRLCAE-ZANVPECISA-N 0 3 248.326 2.029 10 0 BEAEHN CCC[C@H](N)C(=O)N(CC)Cc1ccc(C)cc1 ZINC000662862402 412328711 /nfs/dbraw/zinc/32/87/11/412328711.db2.gz NIIVEHWLRKNUNK-AWEZNQCLSA-N 0 3 248.370 2.471 10 0 BEAEHN CC[C@](NCC(C)C)(C(N)=O)c1ccccc1 ZINC000037951909 171709351 /nfs/dbraw/zinc/70/93/51/171709351.db2.gz USPLDRRJJFHATI-CQSZACIVSA-N 0 3 234.343 2.023 10 0 BEAEHN Cc1cnccc1-c1nc2c(s1)CNCC2 ZINC000133041589 412392022 /nfs/dbraw/zinc/39/20/22/412392022.db2.gz WVSGQKJZHFBOOP-UHFFFAOYSA-N 0 3 231.324 2.159 10 0 BEAEHN CCc1nc([C@@H](NC)[C@H]2CCOC2)sc1C ZINC000041060666 172004632 /nfs/dbraw/zinc/00/46/32/172004632.db2.gz UTAQTWBNQJUQTL-ONGXEEELSA-N 0 3 240.372 2.311 10 0 BEAEHN CCc1ncc2c(n1)CC(C)(C)C[C@@H]2NC ZINC000050101090 172023619 /nfs/dbraw/zinc/02/36/19/172023619.db2.gz FGQYMUYFWQCFEI-JTQLQIEISA-N 0 3 219.332 2.272 10 0 BEAEHN CCc1nccn1[C@@H](CN)c1cccs1 ZINC000043107464 172028826 /nfs/dbraw/zinc/02/88/26/172028826.db2.gz GVTVXXBWIKRIJT-VIFPVBQESA-N 0 3 221.329 2.055 10 0 BEAEHN CCc1nccn1[C@H](CN)c1ccc(C)s1 ZINC000043243733 172030075 /nfs/dbraw/zinc/03/00/75/172030075.db2.gz DOUHVXNHXWIIRL-SNVBAGLBSA-N 0 3 235.356 2.364 10 0 BEAEHN CCn1c(CNC)nc2cccc(Cl)c21 ZINC000037443985 172145036 /nfs/dbraw/zinc/14/50/36/172145036.db2.gz ZCOOJCYCLAUZLW-UHFFFAOYSA-N 0 3 223.707 2.429 10 0 BEAEHN CCn1cc(-c2ccc(CN)s2)cn1 ZINC000070601111 172149203 /nfs/dbraw/zinc/14/92/03/172149203.db2.gz AFMQLLODMMOYLS-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN CCn1cc(C[C@H](NC)c2cccc(C)n2)cn1 ZINC000104167271 172176714 /nfs/dbraw/zinc/17/67/14/172176714.db2.gz FHQOCXOFQVGGFH-AWEZNQCLSA-N 0 3 244.342 2.110 10 0 BEAEHN CCn1cc([C@@H](N)c2ccccc2C)cn1 ZINC000043469266 172194184 /nfs/dbraw/zinc/19/41/84/172194184.db2.gz YIRZFQZPEVMYNS-CYBMUJFWSA-N 0 3 215.300 2.260 10 0 BEAEHN CCn1cc([C@@H](N)c2ccc(F)cc2)cn1 ZINC000043468925 172194626 /nfs/dbraw/zinc/19/46/26/172194626.db2.gz MPTBKTWDSNOJTL-LBPRGKRZSA-N 0 3 219.263 2.090 10 0 BEAEHN CCn1cccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000085608575 172209478 /nfs/dbraw/zinc/20/94/78/172209478.db2.gz SNQABDQTSKTGMB-AAEUAGOBSA-N 0 3 222.332 2.165 10 0 BEAEHN CCn1cnnc1C1CCN(CC=C(C)C)CC1 ZINC000105929354 172233310 /nfs/dbraw/zinc/23/33/10/172233310.db2.gz SXBRFVFMASWMAL-UHFFFAOYSA-N 0 3 248.374 2.444 10 0 BEAEHN CN(C(=O)[C@H](N)C(C)(C)C)C1CCCCC1 ZINC000077488041 172332065 /nfs/dbraw/zinc/33/20/65/172332065.db2.gz OGXXQRQHHKKAEG-NSHDSACASA-N 0 3 226.364 2.151 10 0 BEAEHN CN([C@H](CN)c1ccccn1)C1CCCCC1 ZINC000019263081 172598756 /nfs/dbraw/zinc/59/87/56/172598756.db2.gz FRROHQQZSDVGNK-CQSZACIVSA-N 0 3 233.359 2.346 10 0 BEAEHN CN1CCC[C@H](Nc2ccc3c(c2)CCO3)C1 ZINC000076679437 173046438 /nfs/dbraw/zinc/04/64/38/173046438.db2.gz OXYXIVCRXLSCPP-ZDUSSCGKSA-N 0 3 232.327 2.128 10 0 BEAEHN CN(C)c1ccc(N[C@H]2CCCN(C)C2)cc1 ZINC000076680482 173046726 /nfs/dbraw/zinc/04/67/26/173046726.db2.gz SDYUNAGOAVBPLA-ZDUSSCGKSA-N 0 3 233.359 2.259 10 0 BEAEHN CN1CCC[C@H]1CNc1nc2ccccc2o1 ZINC000049099973 173055639 /nfs/dbraw/zinc/05/56/39/173055639.db2.gz UVUROJAOEYLTKS-JTQLQIEISA-N 0 3 231.299 2.334 10 0 BEAEHN CN1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355775 173059702 /nfs/dbraw/zinc/05/97/02/173059702.db2.gz AXPBIJQATGCDGD-ZDUSSCGKSA-N 0 3 240.310 2.305 10 0 BEAEHN C[N@@H+]1CC[C@@H](c2c[nH]c3cccc([O-])c32)C1 ZINC000013801323 173127358 /nfs/dbraw/zinc/12/73/58/173127358.db2.gz DZKMCQNELDTDGP-SECBINFHSA-N 0 3 216.284 2.293 10 0 BEAEHN C[N@H+]1CC[C@@H](c2c[nH]c3cccc([O-])c32)C1 ZINC000013801323 173127360 /nfs/dbraw/zinc/12/73/60/173127360.db2.gz DZKMCQNELDTDGP-SECBINFHSA-N 0 3 216.284 2.293 10 0 BEAEHN CN1CC[C@H](Nc2ccc(F)cc2F)C1 ZINC000061984657 173155532 /nfs/dbraw/zinc/15/55/32/173155532.db2.gz WAACKVUESJHXJW-VIFPVBQESA-N 0 3 212.243 2.081 10 0 BEAEHN CN1CC[C@H](Nc2ccccc2N2CCCC2)C1 ZINC000061985223 173155986 /nfs/dbraw/zinc/15/59/86/173155986.db2.gz OYPSDTJNEACHAE-ZDUSSCGKSA-N 0 3 245.370 2.403 10 0 BEAEHN CN1CC[C@H](Nc2cccc(F)c2F)C1 ZINC000061989383 173156754 /nfs/dbraw/zinc/15/67/54/173156754.db2.gz KHUKXSKTSMMBBE-QMMMGPOBSA-N 0 3 212.243 2.081 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000042560813 173295242 /nfs/dbraw/zinc/29/52/42/173295242.db2.gz MIJSRSPAUUXYRA-NWDGAFQWSA-N 0 3 234.343 2.089 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@H]1CCCCc2ccccc21 ZINC000042560205 173295685 /nfs/dbraw/zinc/29/56/85/173295685.db2.gz CDGLHAFKJFIALR-RISCZKNCSA-N 0 3 246.354 2.178 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@H](C)CCc1cccc(C)c1 ZINC000042562179 173295837 /nfs/dbraw/zinc/29/58/37/173295837.db2.gz XXRYBDYNWUEOOT-CHWSQXEVSA-N 0 3 248.370 2.040 10 0 BEAEHN CNC(=O)[C@H](C)NC[C@@H](c1ccccc1)C(C)C ZINC000234344700 173302737 /nfs/dbraw/zinc/30/27/37/173302737.db2.gz LIYXTHBEYKGFDY-GXTWGEPZSA-N 0 3 248.370 2.150 10 0 BEAEHN CNC(=O)[C@H](C)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000042228750 173303795 /nfs/dbraw/zinc/30/37/95/173303795.db2.gz MGMLDYORYMEKOC-SMDDNHRTSA-N 0 3 246.354 2.170 10 0 BEAEHN CNC(=O)[C@H]1CCCN1C[C@@H](C)c1ccccc1 ZINC000116877803 173307176 /nfs/dbraw/zinc/30/71/76/173307176.db2.gz TZFUDBATHCIKOB-TZMCWYRMSA-N 0 3 246.354 2.001 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cc(C)ccc1F ZINC000061300334 173318577 /nfs/dbraw/zinc/31/85/77/173318577.db2.gz NDMBAMMNIUPZSJ-UHFFFAOYSA-N 0 3 224.279 2.071 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000061316177 173318592 /nfs/dbraw/zinc/31/85/92/173318592.db2.gz VBMGDZQYCGKTJB-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CNC1(c2nc(C)cs2)CCSCC1 ZINC000041060567 173322312 /nfs/dbraw/zinc/32/23/12/173322312.db2.gz IWXFVXYKKYQHCF-UHFFFAOYSA-N 0 3 228.386 2.393 10 0 BEAEHN CNCC(=O)Nc1ccc(Cl)c2cccnc12 ZINC000037764593 173333713 /nfs/dbraw/zinc/33/37/13/173333713.db2.gz ITLOSFAVDVANRF-UHFFFAOYSA-N 0 3 249.701 2.046 10 0 BEAEHN CNCc1c(C)nn(CC(C)(C)C)c1C ZINC000073711535 173384731 /nfs/dbraw/zinc/38/47/31/173384731.db2.gz WMPCFRCQKDFXGE-UHFFFAOYSA-N 0 3 209.337 2.265 10 0 BEAEHN CNCc1c(C)nn([C@@H](C)C2CC2)c1C ZINC000040932683 173384835 /nfs/dbraw/zinc/38/48/35/173384835.db2.gz SYFDZHADQPJBOB-VIFPVBQESA-N 0 3 207.321 2.190 10 0 BEAEHN CNCc1c(C)nn([C@H](C)C2CC2)c1C ZINC000040932684 173385267 /nfs/dbraw/zinc/38/52/67/173385267.db2.gz SYFDZHADQPJBOB-SECBINFHSA-N 0 3 207.321 2.190 10 0 BEAEHN CNCc1c(C)nn(CC2CCCC2)c1C ZINC000042375130 173385367 /nfs/dbraw/zinc/38/53/67/173385367.db2.gz PBOUFKKBVMXYSX-UHFFFAOYSA-N 0 3 221.348 2.410 10 0 BEAEHN CNCc1cc(C)ccc1OCc1nccn1C ZINC000071403561 173386055 /nfs/dbraw/zinc/38/60/55/173386055.db2.gz MIYOEBYCHREFEA-UHFFFAOYSA-N 0 3 245.326 2.027 10 0 BEAEHN CNCc1cc(-c2cncnc2)ccc1F ZINC000052886631 173386095 /nfs/dbraw/zinc/38/60/95/173386095.db2.gz ZHTOYDIZUWMDJY-UHFFFAOYSA-N 0 3 217.247 2.002 10 0 BEAEHN CNCc1cc(CN(C)[C@H](C)C(C)(C)C)on1 ZINC000052504412 173387105 /nfs/dbraw/zinc/38/71/05/173387105.db2.gz KLPWEIAMPJJNBQ-SNVBAGLBSA-N 0 3 239.363 2.260 10 0 BEAEHN CNCc1cc(F)ccc1N(C)[C@@H](C)COC ZINC000042519075 173387638 /nfs/dbraw/zinc/38/76/38/173387638.db2.gz WUFUCWVKCIVFBA-JTQLQIEISA-N 0 3 240.322 2.016 10 0 BEAEHN CNCc1ccc(OC)c(OC)c1Cl ZINC000082491248 173389024 /nfs/dbraw/zinc/38/90/24/173389024.db2.gz LPBAWHXDFADMAI-UHFFFAOYSA-N 0 3 215.680 2.077 10 0 BEAEHN CNCc1ccccc1NC(=O)C(C)(C)C ZINC000036280751 173390760 /nfs/dbraw/zinc/39/07/60/173390760.db2.gz HGUGOYWHJKBMJV-UHFFFAOYSA-N 0 3 220.316 2.391 10 0 BEAEHN CNCc1ccnc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000054791159 173391075 /nfs/dbraw/zinc/39/10/75/173391075.db2.gz ACFJDPRJKJCXQH-GHMZBOCLSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cn2cc(Cl)cc(C)c2n1 ZINC000076793147 173391561 /nfs/dbraw/zinc/39/15/61/173391561.db2.gz LHDHWVZHYHUDMI-UHFFFAOYSA-N 0 3 209.680 2.016 10 0 BEAEHN CNCc1cnc(N2CC[C@@H](C)C2)c(Cl)c1 ZINC000051448469 173392107 /nfs/dbraw/zinc/39/21/07/173392107.db2.gz ONGFJAGUXSZCOW-SECBINFHSA-N 0 3 239.750 2.301 10 0 BEAEHN CNCc1cnc(Cc2nc(C)cs2)s1 ZINC000055269613 173392324 /nfs/dbraw/zinc/39/23/24/173392324.db2.gz PVQSFHRLLJTIEK-UHFFFAOYSA-N 0 3 239.369 2.218 10 0 BEAEHN CNCc1cnc(N2CCC[C@@H](C)[C@H]2C)s1 ZINC000054905204 173392408 /nfs/dbraw/zinc/39/24/08/173392408.db2.gz JJSPFEMPNXHABS-NXEZZACHSA-N 0 3 239.388 2.487 10 0 BEAEHN CNCc1cnn(CC2CCCCC2)c1 ZINC000054719161 173394076 /nfs/dbraw/zinc/39/40/76/173394076.db2.gz DLIVGABOXZZOBD-UHFFFAOYSA-N 0 3 207.321 2.183 10 0 BEAEHN CNCc1nc2c(cccc2F)n1C(C)C ZINC000037442878 173395978 /nfs/dbraw/zinc/39/59/78/173395978.db2.gz SOOSNJHARCLCDS-UHFFFAOYSA-N 0 3 221.279 2.476 10 0 BEAEHN CNCc1nc(-c2cc(C)ccc2C)c[nH]1 ZINC000036877295 173397446 /nfs/dbraw/zinc/39/74/46/173397446.db2.gz HPYAIUPQMWQAGP-UHFFFAOYSA-N 0 3 215.300 2.413 10 0 BEAEHN COCCCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000117883812 174190291 /nfs/dbraw/zinc/19/02/91/174190291.db2.gz AVDKMNNTQPMZRL-CYBMUJFWSA-N 0 3 237.347 2.363 10 0 BEAEHN COCCCN1CCC[C@H]1c1ccco1 ZINC000116293631 174230600 /nfs/dbraw/zinc/23/06/00/174230600.db2.gz JHRGEYUEFAGEJO-NSHDSACASA-N 0 3 209.289 2.453 10 0 BEAEHN COCCCO[C@H]1CCc2ccccc2[C@@H]1N ZINC000037747208 174257149 /nfs/dbraw/zinc/25/71/49/174257149.db2.gz UQBGBWCNBWCZCX-KBPBESRZSA-N 0 3 235.327 2.054 10 0 BEAEHN COCCCOc1c(CN)cnc2ccccc21 ZINC000037746795 174257235 /nfs/dbraw/zinc/25/72/35/174257235.db2.gz WDIHDJCIANQPLA-UHFFFAOYSA-N 0 3 246.310 2.109 10 0 BEAEHN COCCN(C[C@H]1C[C@@H](C)CCC1=O)C1CC1 ZINC000053929357 174297250 /nfs/dbraw/zinc/29/72/50/174297250.db2.gz GSOHDHARTMVIFB-NWDGAFQWSA-N 0 3 239.359 2.103 10 0 BEAEHN COCCN(c1ccccc1CN)[C@H](C)C1CC1 ZINC000042613795 174302664 /nfs/dbraw/zinc/30/26/64/174302664.db2.gz ZSLNYGOIDILTMQ-GFCCVEGCSA-N 0 3 248.370 2.397 10 0 BEAEHN COCCNCCOc1cccc2ccccc21 ZINC000041296127 174333294 /nfs/dbraw/zinc/33/32/94/174333294.db2.gz SHASXAHTCHTVPY-UHFFFAOYSA-N 0 3 245.322 2.455 10 0 BEAEHN COCCNCCOc1ccc(F)cc1Cl ZINC000041300133 174333729 /nfs/dbraw/zinc/33/37/29/174333729.db2.gz RIHMMCSDSHRPHC-UHFFFAOYSA-N 0 3 247.697 2.094 10 0 BEAEHN COCCNCc1cc(C)c(C)cc1OC ZINC000057516178 174334117 /nfs/dbraw/zinc/33/41/17/174334117.db2.gz ZJZPLTRCGAGQHP-UHFFFAOYSA-N 0 3 223.316 2.048 10 0 BEAEHN COCCNCc1cccc(C)c1Cl ZINC000083347665 174336311 /nfs/dbraw/zinc/33/63/11/174336311.db2.gz BDNHOKPWIALJPI-UHFFFAOYSA-N 0 3 213.708 2.384 10 0 BEAEHN COc1cc(F)c([C@@H](N)[C@H]2CCCO2)c(F)c1 ZINC000037903345 174992660 /nfs/dbraw/zinc/99/26/60/174992660.db2.gz ZRMANBTWVYEGNT-PWSUYJOCSA-N 0 3 243.253 2.152 10 0 BEAEHN COc1cc([C@@H](C)N[C@@H](C)CCO)ccc1F ZINC000124023200 175014682 /nfs/dbraw/zinc/01/46/82/175014682.db2.gz IEBFSFQMOKVPMW-VHSXEESVSA-N 0 3 241.306 2.256 10 0 BEAEHN COc1cc([C@H](C)N)c(OC)cc1Cl ZINC000071464442 175015439 /nfs/dbraw/zinc/01/54/39/175015439.db2.gz VXUYGGVSHCMLJM-LURJTMIESA-N 0 3 215.680 2.377 10 0 BEAEHN COc1cc2nc(N)n(C(C)(C)C)c2cc1OC ZINC000075947312 175028492 /nfs/dbraw/zinc/02/84/92/175028492.db2.gz CHGLUNYADQGWOM-UHFFFAOYSA-N 0 3 249.314 2.391 10 0 BEAEHN COc1ccc(-c2c[nH]c(C(C)(C)N)n2)cc1 ZINC000084512957 175029592 /nfs/dbraw/zinc/02/95/92/175029592.db2.gz SDCXTUBNZMRVIX-UHFFFAOYSA-N 0 3 231.299 2.279 10 0 BEAEHN COc1ccc(-c2c(C)nn(C)c2C)cc1CN ZINC000038073151 175030294 /nfs/dbraw/zinc/03/02/94/175030294.db2.gz QKANFAPFDZHEFL-UHFFFAOYSA-N 0 3 245.326 2.171 10 0 BEAEHN COc1ccc(-c2nc([C@@H](C)N)c[nH]2)cc1OC ZINC000082517124 175039650 /nfs/dbraw/zinc/03/96/50/175039650.db2.gz OOGVBOPZICEFPB-MRVPVSSYSA-N 0 3 247.298 2.114 10 0 BEAEHN COc1ccc(C)cc1NC(=O)[C@@H]1CCCCN1 ZINC000019409860 175077661 /nfs/dbraw/zinc/07/76/61/175077661.db2.gz NMWQNOGBYGLKQY-NSHDSACASA-N 0 3 248.326 2.084 10 0 BEAEHN COc1ccc(CC[C@H]2COC[C@H](C)N2)cc1 ZINC000071545518 175093668 /nfs/dbraw/zinc/09/36/68/175093668.db2.gz CHLMCFVSTDKEHN-AAEUAGOBSA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccc(CNCc2ccc[nH]2)cc1 ZINC000048408799 175108492 /nfs/dbraw/zinc/10/84/92/175108492.db2.gz HDCDTINRMNRREY-UHFFFAOYSA-N 0 3 216.284 2.313 10 0 BEAEHN COc1ccc(Cl)c2c1NCC[C@@H]2N ZINC000082372186 175118877 /nfs/dbraw/zinc/11/88/77/175118877.db2.gz MMGMVAJEPJAXRO-ZETCQYMHSA-N 0 3 212.680 2.164 10 0 BEAEHN COc1ccc(F)c(CN[C@H]2C[C@H]2C)c1 ZINC000293421943 175125354 /nfs/dbraw/zinc/12/53/54/175125354.db2.gz AMSUYYRATSQAHD-PELKAZGASA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(F)c(CN[C@@H]2C[C@@H]2C)c1 ZINC000293421961 175125718 /nfs/dbraw/zinc/12/57/18/175125718.db2.gz AMSUYYRATSQAHD-QPUJVOFHSA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(NC(=O)[C@](C)(N)C2CC2)cc1C ZINC000049532031 175147235 /nfs/dbraw/zinc/14/72/35/175147235.db2.gz GMIVYXQJOWWEDR-CQSZACIVSA-N 0 3 248.326 2.070 10 0 BEAEHN COc1ccc([C@@H](N)c2cccnc2)c(F)c1 ZINC000036766569 175180402 /nfs/dbraw/zinc/18/04/02/175180402.db2.gz DUZAYCPXYKCQAR-ZDUSSCGKSA-N 0 3 232.258 2.277 10 0 BEAEHN COc1ccc([C@H](C)O)cc1CN1CCCC1 ZINC000050682529 175190404 /nfs/dbraw/zinc/19/04/04/175190404.db2.gz JKZRAZAFIIHGQO-NSHDSACASA-N 0 3 235.327 2.344 10 0 BEAEHN COc1ccc([C@H](N)COC(C)C)c(OC)c1 ZINC000019392947 175192259 /nfs/dbraw/zinc/19/22/59/175192259.db2.gz HUGBXZWNIKZIEB-GFCCVEGCSA-N 0 3 239.315 2.129 10 0 BEAEHN COc1ccc2c(c1)CC[C@@H](n1cccn1)[C@H]2N ZINC000019270990 175210085 /nfs/dbraw/zinc/21/00/85/175210085.db2.gz COYSHJQTPLECRV-KGLIPLIRSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1ccc2c(c1)[C@H](NC(C)C)CO2 ZINC000035652800 175216177 /nfs/dbraw/zinc/21/61/77/175216177.db2.gz YQZVOJIUYPZCRL-LLVKDONJSA-N 0 3 207.273 2.127 10 0 BEAEHN COc1ccc2c(c1)[C@H](N[C@@H]1CCO[C@H]1C)CC2 ZINC000134245471 175216480 /nfs/dbraw/zinc/21/64/80/175216480.db2.gz PNIDSFKZXZKTEI-COLVAYQJSA-N 0 3 247.338 2.450 10 0 BEAEHN COc1ccc2c(c1OC)C(C)(C)CNC2 ZINC000057513784 175222094 /nfs/dbraw/zinc/22/20/94/175222094.db2.gz GNFFZMHGGPTYOQ-UHFFFAOYSA-N 0 3 221.300 2.085 10 0 BEAEHN COc1ccc2oc(CNCCN(C)C)cc2c1 ZINC000073711157 175231265 /nfs/dbraw/zinc/23/12/65/175231265.db2.gz JYWDAQYWNPQZMJ-UHFFFAOYSA-N 0 3 248.326 2.093 10 0 BEAEHN COc1ccc2oc([C@@H]3CCCN3)nc2c1 ZINC000062526903 175231471 /nfs/dbraw/zinc/23/14/71/175231471.db2.gz IPZIGCCBKPYMOO-VIFPVBQESA-N 0 3 218.256 2.261 10 0 BEAEHN COc1cccc(-n2ncc(CN)c2C(C)C)c1 ZINC000071559999 175239316 /nfs/dbraw/zinc/23/93/16/175239316.db2.gz DTALOWPBRGTBKI-UHFFFAOYSA-N 0 3 245.326 2.463 10 0 BEAEHN COc1cccc(C(=O)CNCC(C)C)c1 ZINC000049818349 175242809 /nfs/dbraw/zinc/24/28/09/175242809.db2.gz ISQDTLKJYZOLHW-UHFFFAOYSA-N 0 3 221.300 2.124 10 0 BEAEHN COc1cccc(Cc2nc(CN)cs2)c1 ZINC000040999565 175272720 /nfs/dbraw/zinc/27/27/20/175272720.db2.gz OSYJYSRHFLFYHJ-UHFFFAOYSA-N 0 3 234.324 2.201 10 0 BEAEHN COc1cccc(Cn2cccc2CN)c1 ZINC000049453085 175273616 /nfs/dbraw/zinc/27/36/16/175273616.db2.gz ZDYRRYTZLNLJEW-UHFFFAOYSA-N 0 3 216.284 2.004 10 0 BEAEHN COc1cccc(Nc2ccncc2N)c1 ZINC000020585718 175281180 /nfs/dbraw/zinc/28/11/80/175281180.db2.gz OYDCIHJKETYBAW-UHFFFAOYSA-N 0 3 215.256 2.416 10 0 BEAEHN COc1cccc(OC)c1CN[C@@H]1C[C@@H]1C ZINC000286721570 175281972 /nfs/dbraw/zinc/28/19/72/175281972.db2.gz XHNOHWXSXCKKSF-GXSJLCMTSA-N 0 3 221.300 2.202 10 0 BEAEHN COc1cccc([C@@H](N)c2cnccc2C)c1 ZINC000082350579 175289001 /nfs/dbraw/zinc/28/90/01/175289001.db2.gz RQSLOJUFIRQQQZ-CQSZACIVSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1cccc([C@@H](N)c2cncc(F)c2)c1 ZINC000049576120 175289256 /nfs/dbraw/zinc/28/92/56/175289256.db2.gz CTBIZZXHXNBNJK-CYBMUJFWSA-N 0 3 232.258 2.277 10 0 BEAEHN COc1cccc([C@H]2CNC(C)(C)CO2)c1 ZINC000011803226 175296089 /nfs/dbraw/zinc/29/60/89/175296089.db2.gz FWXVHDIDKUFLFP-GFCCVEGCSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1cccc([C@H]2CNCC(C)(C)O2)c1 ZINC000011803126 175296114 /nfs/dbraw/zinc/29/61/14/175296114.db2.gz XFCQTGUPFITXHG-GFCCVEGCSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccccc1CN1CCC[C@@H](O)[C@@H]1C ZINC000294930707 175327837 /nfs/dbraw/zinc/32/78/37/175327837.db2.gz GFJMSGGDEGSOQI-WCQYABFASA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1[C@H](CN)N(C)C[C@@H]1C[C@@H]1C ZINC000111765797 175353219 /nfs/dbraw/zinc/35/32/19/175353219.db2.gz LMCYWDHXBDCWLA-OBJOEFQTSA-N 0 3 248.370 2.283 10 0 BEAEHN COc1cnc(C(C)C)nc1CNCC(C)C ZINC000051523755 175381266 /nfs/dbraw/zinc/38/12/66/175381266.db2.gz AXFRBEQBJBPCKB-UHFFFAOYSA-N 0 3 237.347 2.354 10 0 BEAEHN COc1nc(CN)ccc1OCc1ccccc1 ZINC000216657590 175391882 /nfs/dbraw/zinc/39/18/82/175391882.db2.gz ILUTVGBBKSMFIV-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN C[C@@H](CC(=O)N1CCNC(C)(C)C1)C(C)(C)C ZINC000148065650 175641297 /nfs/dbraw/zinc/64/12/97/175641297.db2.gz YHQWPFSSSICCJS-NSHDSACASA-N 0 3 240.391 2.269 10 0 BEAEHN C[C@@H](CO)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000083218365 175744579 /nfs/dbraw/zinc/74/45/79/175744579.db2.gz WIOTVJOXOPQTNT-RKDXNWHRSA-N 0 3 229.270 2.244 10 0 BEAEHN C[C@@H]([C@H](N)c1ccccc1)n1ccnc1 ZINC000023070823 176012047 /nfs/dbraw/zinc/01/20/47/176012047.db2.gz DCHONAQTARXODU-JQWIXIFHSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1NCc1nccn1C ZINC000034937812 176081268 /nfs/dbraw/zinc/08/12/68/176081268.db2.gz CSUDAPHSSUXYJZ-MNOVXSKESA-N 0 3 207.321 2.088 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1Oc1ccnc(CN)c1 ZINC000051524781 176082399 /nfs/dbraw/zinc/08/23/99/176082399.db2.gz RBMSLZATAMUSSX-MFKMUULPSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1Oc1ncccc1CN ZINC000019280154 176082487 /nfs/dbraw/zinc/08/24/87/176082487.db2.gz LEARJVQTAZHKKP-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1Oc1ncccc1C(=N)N ZINC000019423987 176082670 /nfs/dbraw/zinc/08/26/70/176082670.db2.gz HZQCLDIBKMRTTG-KOLCDFICSA-N 0 3 233.315 2.323 10 0 BEAEHN C[C@@H]1CCCN1Cc1cc(N)cc2c1OCOC2 ZINC000037909705 176107918 /nfs/dbraw/zinc/10/79/18/176107918.db2.gz HXEIDRDIVDXGDJ-SNVBAGLBSA-N 0 3 248.326 2.120 10 0 BEAEHN C[C@@H]1CCC[C@@H](CCNCc2cnnn2C)C1 ZINC000122012420 176118151 /nfs/dbraw/zinc/11/81/51/176118151.db2.gz WHOPLSKYTZUGNQ-NEPJUHHUSA-N 0 3 236.363 2.121 10 0 BEAEHN C[C@@H]1CCC[C@@H](Oc2cccc(CN)n2)C1 ZINC000051542217 176125082 /nfs/dbraw/zinc/12/50/82/176125082.db2.gz ALZZHSAXWVSHEJ-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@H](Oc2ccnc(CN)c2)C1 ZINC000051542233 176145804 /nfs/dbraw/zinc/14/58/04/176145804.db2.gz LNQBBWZJLDAFQM-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](C)CN1 ZINC000034109316 176254145 /nfs/dbraw/zinc/25/41/45/176254145.db2.gz HDMXGKDIDQZITN-VXGBXAGGSA-N 0 3 248.326 2.005 10 0 BEAEHN C[C@@H]1CN(C[C@@H]2CCCO2)c2ccccc2CN1 ZINC000062622207 176298032 /nfs/dbraw/zinc/29/80/32/176298032.db2.gz BNMQDSVJJWJSIC-OCCSQVGLSA-N 0 3 246.354 2.164 10 0 BEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccco1 ZINC000094432866 176323177 /nfs/dbraw/zinc/32/31/77/176323177.db2.gz HAINTICPDIWHCU-CHWSQXEVSA-N 0 3 234.343 2.338 10 0 BEAEHN C[C@@H](NC1=NC[C@@H](C)S1)c1cccnc1 ZINC000035692470 176324034 /nfs/dbraw/zinc/32/40/34/176324034.db2.gz KJSPEXHLZQCLNN-RKDXNWHRSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@@H]1CNC[C@@H](c2ccccc2Cl)O1 ZINC000032012616 176329541 /nfs/dbraw/zinc/32/95/41/176329541.db2.gz BONOEYOQDIOQSC-KCJUWKMLSA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1COC[C@@H](CCc2ccc(F)cc2)N1 ZINC000071525012 176346533 /nfs/dbraw/zinc/34/65/33/176346533.db2.gz YEOPIIHSWQHSTP-ZWNOBZJWSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@H]1CO[C@H](c2cccc(OC(F)F)c2)CN1 ZINC000036673586 176347839 /nfs/dbraw/zinc/34/78/39/176347839.db2.gz WCQSQEUQNNZRCE-KCJUWKMLSA-N 0 3 243.253 2.337 10 0 BEAEHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2)CCN1C ZINC000123690565 176371747 /nfs/dbraw/zinc/37/17/47/176371747.db2.gz FBTHMODTKCNMGZ-OCCSQVGLSA-N 0 3 246.354 2.241 10 0 BEAEHN C[C@H](N)c1nc2cnc3ccccc3c2[nH]1 ZINC000040539493 176779924 /nfs/dbraw/zinc/77/99/24/176779924.db2.gz VKOBBWPPVIOFOS-ZETCQYMHSA-N 0 3 212.256 2.131 10 0 BEAEHN C[C@@H](CO)[C@H](C)NCc1ccccc1Cl ZINC000125764680 176877543 /nfs/dbraw/zinc/87/75/43/176877543.db2.gz GGVRADGHKUAEPL-UWVGGRQHSA-N 0 3 227.735 2.447 10 0 BEAEHN C[C@H](O)c1ccccc1N[C@H]1CCN(C2CC2)C1 ZINC000061983828 177018112 /nfs/dbraw/zinc/01/81/12/177018112.db2.gz FSLWLEYLBOVHKS-RYUDHWBXSA-N 0 3 246.354 2.389 10 0 BEAEHN C[C@H](c1cccc(N)c1)N1CCCOCC1 ZINC000061914066 177036125 /nfs/dbraw/zinc/03/61/25/177036125.db2.gz HOBAVPNXSGULHE-LLVKDONJSA-N 0 3 220.316 2.052 10 0 BEAEHN C[C@H](c1cccs1)N1CCC[C@H](O)C1 ZINC000095089050 177049084 /nfs/dbraw/zinc/04/90/84/177049084.db2.gz JEOARMHSRANYEO-ZJUUUORDSA-N 0 3 211.330 2.266 10 0 BEAEHN C[C@H]1CCCC[C@]1(NCc1ccccc1)C(N)=O ZINC000037941225 177090750 /nfs/dbraw/zinc/09/07/50/177090750.db2.gz PTJVKHBUKUARNV-SWLSCSKDSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)NC2CCCCCC2)N1 ZINC000037390423 177112455 /nfs/dbraw/zinc/11/24/55/177112455.db2.gz VXAVNDLLJOGWCD-AAEUAGOBSA-N 0 3 238.375 2.356 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C)CC2)N1 ZINC000104367404 177113179 /nfs/dbraw/zinc/11/31/79/177113179.db2.gz XDDHWFSJXJJXDY-AGIUHOORSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@H](NC(=O)[C@@H]1CCC[C@H](C)N1)c1ccccc1 ZINC000019426335 177114001 /nfs/dbraw/zinc/11/40/01/177114001.db2.gz KQFOVLJEHGCLJT-OBJOEFQTSA-N 0 3 246.354 2.394 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N(C)C2CCCCC2)N1 ZINC000019514194 177128436 /nfs/dbraw/zinc/12/84/36/177128436.db2.gz IDLATLGKYILAAP-WCQYABFASA-N 0 3 238.375 2.308 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N(C)CC(C)(C)C)N1 ZINC000045089370 177128438 /nfs/dbraw/zinc/12/84/38/177128438.db2.gz RCPOBHHSQXJQLY-WDEREUQCSA-N 0 3 226.364 2.022 10 0 BEAEHN C[C@H](NC(=O)[C@H]1CCC[C@H](C)N1)c1ccccc1 ZINC000019426338 177128832 /nfs/dbraw/zinc/12/88/32/177128832.db2.gz KQFOVLJEHGCLJT-SGMGOOAPSA-N 0 3 246.354 2.394 10 0 BEAEHN C[C@H]1CCN[C@@H](C(=O)NCCC2CCCC2)C1 ZINC000126478751 177175336 /nfs/dbraw/zinc/17/53/36/177175336.db2.gz XNCYOGVNXISGAT-WCQYABFASA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@@H]1CN(CCCc2cccc(N)c2)C[C@H](C)O1 ZINC000041138743 177248986 /nfs/dbraw/zinc/24/89/86/177248986.db2.gz YOQDZPGHDAUSDT-BETUJISGSA-N 0 3 248.370 2.311 10 0 BEAEHN C[C@H]1CN(CCc2ccncc2)CCS1 ZINC000171703003 177255726 /nfs/dbraw/zinc/25/57/26/177255726.db2.gz RZQQRTJCPBJQJC-NSHDSACASA-N 0 3 222.357 2.061 10 0 BEAEHN C[C@H]1CN(c2cccc(Cl)c2)N=C1N ZINC000034592818 177277128 /nfs/dbraw/zinc/27/71/28/177277128.db2.gz CTVZXQUUWUDABQ-ZETCQYMHSA-N 0 3 209.680 2.068 10 0 BEAEHN C[C@H]1CNC[C@@H](c2ccc(F)c(F)c2)O1 ZINC000036673243 177285372 /nfs/dbraw/zinc/28/53/72/177285372.db2.gz FMLIRMVDZSOXDW-CPCISQLKSA-N 0 3 213.227 2.014 10 0 BEAEHN C[C@H]1C[C@@H]1CN(C)c1nc2c(cc1CN)CCC2 ZINC000104417689 177342163 /nfs/dbraw/zinc/34/21/63/177342163.db2.gz PUJRZYVGBHXGLF-GXFFZTMASA-N 0 3 245.370 2.121 10 0 BEAEHN C[C@H]1C[C@@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000052287766 177350231 /nfs/dbraw/zinc/35/02/31/177350231.db2.gz KHNRCULBZAYDBT-KWQFWETISA-N 0 3 238.718 2.277 10 0 BEAEHN C[C@H]1C[C@H](O)CN1Cc1ccc2ccccc2n1 ZINC000335899851 177373632 /nfs/dbraw/zinc/37/36/32/177373632.db2.gz NMIQHPZFGAVQNX-FZMZJTMJSA-N 0 3 242.322 2.190 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000054074544 487680919 /nfs/dbraw/zinc/68/09/19/487680919.db2.gz SHLVTOGVMIMSRF-NWDGAFQWSA-N 0 3 234.343 2.089 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000054075128 487682375 /nfs/dbraw/zinc/68/23/75/487682375.db2.gz WLIZHOTUOYASEO-UMSGYPCISA-N 0 3 238.375 2.022 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000054075689 487683590 /nfs/dbraw/zinc/68/35/90/487683590.db2.gz XNYPQQPPALMRJS-IUCAKERBSA-N 0 3 240.734 2.125 10 0 BEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)OC(C)(C)C ZINC000246953311 323011667 /nfs/dbraw/zinc/01/16/67/323011667.db2.gz DFGMFRKSFIJVLX-QWRGUYRKSA-N 0 3 240.347 2.090 10 0 BEAEHN Cc1cccc(C(=O)NC[C@@H]2CCCN2C)c1C ZINC000049096394 323157398 /nfs/dbraw/zinc/15/73/98/323157398.db2.gz SBJJZEMYHGHMSO-ZDUSSCGKSA-N 0 3 246.354 2.127 10 0 BEAEHN C[C@@H](NCC1CC(O)C1)c1ccc(Cl)cn1 ZINC000528017455 323751666 /nfs/dbraw/zinc/75/16/66/323751666.db2.gz GZLAOFRAJSJEON-FKTRJACZSA-N 0 3 240.734 2.157 10 0 BEAEHN COc1c(CN[C@H]2CC[C@@H](C)C2)c(C)nn1C ZINC000123009536 324073595 /nfs/dbraw/zinc/07/35/95/324073595.db2.gz BCJQELRJHVHDHZ-KOLCDFICSA-N 0 3 237.347 2.015 10 0 BEAEHN COC[C@@H](C)CNc1cccc(CN(C)C)c1 ZINC000131759465 325182185 /nfs/dbraw/zinc/18/21/85/325182185.db2.gz DESLLWVREXAYOW-LBPRGKRZSA-N 0 3 236.359 2.443 10 0 BEAEHN CCc1nnc(CN[C@H](C)C2CCCC2)n1C ZINC000184646807 487970539 /nfs/dbraw/zinc/97/05/39/487970539.db2.gz VFPDJGHVGYNZFF-SNVBAGLBSA-N 0 3 236.363 2.046 10 0 BEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2CCCC2)C1 ZINC000155684803 326207829 /nfs/dbraw/zinc/20/78/29/326207829.db2.gz PMZWIOJEMAHAQO-YPMHNXCESA-N 0 3 238.375 2.022 10 0 BEAEHN CN(Cc1ccccn1)C[C@@H]1CCC[C@@H](O)C1 ZINC000310463904 488028498 /nfs/dbraw/zinc/02/84/98/488028498.db2.gz YTMUTYRLVPSWKC-TZMCWYRMSA-N 0 3 234.343 2.065 10 0 BEAEHN CN(Cc1ccoc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000381690450 487520458 /nfs/dbraw/zinc/52/04/58/487520458.db2.gz ZQUNXPUTZLELFW-DGCLKSJQSA-N 0 3 223.316 2.263 10 0 BEAEHN Cc1cccc(CN(C)C[C@@H]2CCC[C@H](O)C2)n1 ZINC000386733520 487892536 /nfs/dbraw/zinc/89/25/36/487892536.db2.gz BGDCHCSEGQUMDH-HIFRSBDPSA-N 0 3 248.370 2.373 10 0 BEAEHN CCN(Cc1cncnc1)[C@@H](C)C(C)C ZINC000120687106 490067103 /nfs/dbraw/zinc/06/71/03/490067103.db2.gz GSZMPBZENSLGMB-NSHDSACASA-N 0 3 207.321 2.343 10 0 BEAEHN CC1(C)Oc2ccccc2[C@H](N2CCCC2)[C@H]1O ZINC000039426689 490089723 /nfs/dbraw/zinc/08/97/23/490089723.db2.gz HCAJQUUPNFQABS-UONOGXRCSA-N 0 3 247.338 2.355 10 0 BEAEHN c1c2ccccc2[nH]c1CN[C@@H]1CCCOC1 ZINC000122243055 490130476 /nfs/dbraw/zinc/13/04/76/490130476.db2.gz DCDMDQXRNMOTBR-GFCCVEGCSA-N 0 3 230.311 2.437 10 0 BEAEHN CC(C)N(Cc1cncnc1)C1CCC1 ZINC000130035169 490212339 /nfs/dbraw/zinc/21/23/39/490212339.db2.gz XAVZAMLVHZEVLA-UHFFFAOYSA-N 0 3 205.305 2.240 10 0 BEAEHN O[C@@H]1CCC[C@H](N[C@@H]2CCCc3cccnc32)C1 ZINC000217741446 490483378 /nfs/dbraw/zinc/48/33/78/490483378.db2.gz JRLOWOSKDNLSAZ-BFHYXJOUSA-N 0 3 246.354 2.352 10 0 BEAEHN Cc1nccnc1[C@H](C)NCC[C@@H]1CCCO1 ZINC000219095044 490553275 /nfs/dbraw/zinc/55/32/75/490553275.db2.gz JOIHNXMYBVBREQ-JQWIXIFHSA-N 0 3 235.331 2.005 10 0 BEAEHN CC(C)[C@H](C)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000128924769 490594630 /nfs/dbraw/zinc/59/46/30/490594630.db2.gz ZGTQTAXVUDQSQL-NDBYEHHHSA-N 0 3 240.391 2.408 10 0 BEAEHN c1ncc(CN[C@H]2CCOC3(CCCC3)C2)cn1 ZINC000136686121 491063889 /nfs/dbraw/zinc/06/38/89/491063889.db2.gz NGJOMRQFXKZMJQ-ZDUSSCGKSA-N 0 3 247.342 2.058 10 0 BEAEHN C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1cccc(O)c1 ZINC000051991993 491086244 /nfs/dbraw/zinc/08/62/44/491086244.db2.gz WTOBAWICTHFKPD-HONMWMINSA-N 0 3 235.327 2.346 10 0 BEAEHN N[C@@H]1c2cc(Cl)cc(Cl)c2CC[C@H]1O ZINC000039941471 491110651 /nfs/dbraw/zinc/11/06/51/491110651.db2.gz IKXGQSRJGUAIKS-NXEZZACHSA-N 0 3 232.110 2.300 10 0 BEAEHN CCC1(CC)O[C@]2(CCOC2)NCC1(C)C ZINC000757148873 582532682 /nfs/dbraw/zinc/53/26/82/582532682.db2.gz VNGYOJGYURGCAA-ZDUSSCGKSA-N 0 3 227.348 2.308 10 0 BEAEHN C[C@H]1CC(C)(C)O[C@@]2(CCCSC2)N1 ZINC000757153441 582537371 /nfs/dbraw/zinc/53/73/71/582537371.db2.gz VVGWFAVEQMMFSK-GXSJLCMTSA-N 0 3 215.362 2.387 10 0 BEAEHN CC[C@@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186673 535606853 /nfs/dbraw/zinc/60/68/53/535606853.db2.gz WWUUKOYBNJJXRX-PWSUYJOCSA-N 0 3 232.327 2.482 10 0 BEAEHN CCSc1ccc(CN[C@@H](C)CO)cc1 ZINC000098125015 517749570 /nfs/dbraw/zinc/74/95/70/517749570.db2.gz JWWNXVXSVXEWQM-JTQLQIEISA-N 0 3 225.357 2.269 10 0 BEAEHN CSC1([C@@H]2NCCc3ccoc32)CC1 ZINC000701384569 582916265 /nfs/dbraw/zinc/91/62/65/582916265.db2.gz GQCQHKDGJXFZMO-SNVBAGLBSA-N 0 3 209.314 2.362 10 0 BEAEHN CCCCCC[C@H](C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188198922 535005877 /nfs/dbraw/zinc/00/58/77/535005877.db2.gz JTJLORRDBWFIIS-SDDRHHMPSA-N 0 3 244.354 2.162 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC000177025947 535544602 /nfs/dbraw/zinc/54/46/02/535544602.db2.gz CRNGUESONPTZAF-CYBMUJFWSA-N 0 3 238.375 2.119 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCCc2ccccc21 ZINC000019477956 535652384 /nfs/dbraw/zinc/65/23/84/535652384.db2.gz AYBPAYUGFJBCBG-BXUZGUMPSA-N 0 3 246.354 2.339 10 0 BEAEHN CC(C)c1nc([C@@H]2CCCCCN2)n(C)n1 ZINC000080989971 538116552 /nfs/dbraw/zinc/11/65/52/538116552.db2.gz FVASQBRMZOHILJ-JTQLQIEISA-N 0 3 222.336 2.143 10 0 BEAEHN COC[C@H](C)[C@@H]1NCCc2sccc21 ZINC000307014146 566277494 /nfs/dbraw/zinc/27/74/94/566277494.db2.gz OSJBAQXJMBWONK-KWQFWETISA-N 0 3 211.330 2.217 10 0 BEAEHN C[C@@H]1C[C@]2(CCN1C)NCCc1sccc12 ZINC000397268329 583099431 /nfs/dbraw/zinc/09/94/31/583099431.db2.gz CFHKSBXMPGRABL-MFKMUULPSA-N 0 3 236.384 2.203 10 0 BEAEHN CC(=O)C1CCN(CCOCCC(C)C)CC1 ZINC000111690815 588767341 /nfs/dbraw/zinc/76/73/41/588767341.db2.gz UXMLKCLQVNJYTE-UHFFFAOYSA-N 0 3 241.375 2.350 10 0 BEAEHN CNCc1sc([C@@H](O)C2(C)CC2)nc1C ZINC000757130739 582504617 /nfs/dbraw/zinc/50/46/17/582504617.db2.gz QPBDLEJHADEACT-SECBINFHSA-N 0 3 226.345 2.004 10 0 BEAEHN CC[C@H](C)[C@@H](O)c1nc(C)c(CNC)s1 ZINC000757132487 582506910 /nfs/dbraw/zinc/50/69/10/582506910.db2.gz TZCCWXWAQQAILO-OIBJUYFYSA-N 0 3 228.361 2.250 10 0 BEAEHN CCC1(CC)CCNC2(CCOCC2)O1 ZINC000757139344 582519814 /nfs/dbraw/zinc/51/98/14/582519814.db2.gz GWIXILRPLJTMMT-UHFFFAOYSA-N 0 3 213.321 2.062 10 0 BEAEHN CC(C)(C)OC(=O)[C@@H]1COc2ccccc2[C@@H]1N ZINC000757140681 582520693 /nfs/dbraw/zinc/52/06/93/582520693.db2.gz OBQKMZLCRJMRGP-PWSUYJOCSA-N 0 3 249.310 2.037 10 0 BEAEHN CC(C)[C@@H]1O[C@@]2(COC(C)(C)C2)NCC12CC2 ZINC000757141127 582521524 /nfs/dbraw/zinc/52/15/24/582521524.db2.gz JJFDEMSLZHTIBY-FZMZJTMJSA-N 0 3 239.359 2.306 10 0 BEAEHN CCC1(CC)O[C@@]2(CCOC2)NCC1(C)C ZINC000757148822 582533223 /nfs/dbraw/zinc/53/32/23/582533223.db2.gz VNGYOJGYURGCAA-CYBMUJFWSA-N 0 3 227.348 2.308 10 0 BEAEHN FCC1(CF)CC2(C1)NCC[C@H](C1CC1)O2 ZINC000757153458 582538409 /nfs/dbraw/zinc/53/84/09/582538409.db2.gz VXUBSTVFXHFCLB-SNVBAGLBSA-N 0 3 231.286 2.190 10 0 BEAEHN CC(C)(C)[C@@H]1CN[C@]2(CCSC2)OC1 ZINC000757153830 582539187 /nfs/dbraw/zinc/53/91/87/582539187.db2.gz XWRRCTZSSGLIGK-MWLCHTKSSA-N 0 3 215.362 2.102 10 0 BEAEHN C[C@H]1Oc2ccc(C(F)(F)F)cc2[C@H]1N ZINC000757176068 582552249 /nfs/dbraw/zinc/55/22/49/582552249.db2.gz ZIMGLRZZTDNXFQ-ANLVUFKYSA-N 0 3 217.190 2.486 10 0 BEAEHN CC(C)c1ccc(CN[C@H](C(N)=O)C(C)C)cc1 ZINC000107323155 582805535 /nfs/dbraw/zinc/80/55/35/582805535.db2.gz DWPQGYLNKJQPTB-AWEZNQCLSA-N 0 3 248.370 2.410 10 0 BEAEHN CCN1C[C@H](C)[C@H](NCc2ccc(C)o2)C1 ZINC000393736915 582921733 /nfs/dbraw/zinc/92/17/33/582921733.db2.gz CLMBWRKXTQDPKU-GXFFZTMASA-N 0 3 222.332 2.018 10 0 BEAEHN CC1(C)C[C@]2(CO1)NCCc1sccc12 ZINC000397176344 583098397 /nfs/dbraw/zinc/09/83/97/583098397.db2.gz GSWJGOLRVVDQGS-GFCCVEGCSA-N 0 3 223.341 2.288 10 0 BEAEHN CCOC(=O)[C@H]1CC[C@H](c2ccsc2)NC1 ZINC000757219356 586442400 /nfs/dbraw/zinc/44/24/00/586442400.db2.gz YETYJJCYMAYTKL-GXSJLCMTSA-N 0 3 239.340 2.352 10 0 BEAEHN CCOc1cc(F)ccc1-c1nccc(N)c1N ZINC000757573092 586463031 /nfs/dbraw/zinc/46/30/31/586463031.db2.gz XOEFPNUHNHXXRB-UHFFFAOYSA-N 0 3 247.273 2.451 10 0 BEAEHN CC(C)CCCCNCc1ccnn1C ZINC000118906412 589204349 /nfs/dbraw/zinc/20/43/49/589204349.db2.gz YFNPPOVKZYLOLE-UHFFFAOYSA-N 0 3 209.337 2.336 10 0 BEAEHN Cc1cc(CN[C@H]2CCO[C@@H]2C)c(C)o1 ZINC000123716214 589776568 /nfs/dbraw/zinc/77/65/68/589776568.db2.gz CPLGLKZUHKNADP-PWSUYJOCSA-N 0 3 209.289 2.163 10 0 BEAEHN CC[C@H](NCc1ccoc1)[C@H]1CCCO1 ZINC000126312302 590272598 /nfs/dbraw/zinc/27/25/98/590272598.db2.gz VQYBROFGLVJERR-NWDGAFQWSA-N 0 3 209.289 2.327 10 0 BEAEHN CC(C)n1ncnc1CN[C@@H]1CC[C@H](C)C1 ZINC000128888867 591176506 /nfs/dbraw/zinc/17/65/06/591176506.db2.gz KHPCGTHWKFFNSO-WDEREUQCSA-N 0 3 222.336 2.137 10 0 BEAEHN CCc1cnccc1-c1noc([C@@H]2CCCN2)n1 ZINC000129845590 591415006 /nfs/dbraw/zinc/41/50/06/591415006.db2.gz JLBUHXDACDUNOK-NSHDSACASA-N 0 3 244.298 2.119 10 0 BEAEHN CC(C)COCCN[C@@H](C)c1cncs1 ZINC000132895063 591747137 /nfs/dbraw/zinc/74/71/37/591747137.db2.gz CNKGFNGLEODUSC-JTQLQIEISA-N 0 3 228.361 2.466 10 0 BEAEHN Cc1cc(CNC2(CO)CC2)ccc1Cl ZINC000134656411 591944730 /nfs/dbraw/zinc/94/47/30/591944730.db2.gz KPWZYXVTHQAABI-UHFFFAOYSA-N 0 3 225.719 2.263 10 0 BEAEHN Cc1cc(CNCC[S@](C)=O)ccc1Cl ZINC000134653865 591945158 /nfs/dbraw/zinc/94/51/58/591945158.db2.gz KTPITVQUYDSFSD-OAHLLOKOSA-N 0 3 245.775 2.117 10 0 BEAEHN CCOC1CC(N[C@@H](C)c2nccnc2C)C1 ZINC000219278460 592221700 /nfs/dbraw/zinc/22/17/00/592221700.db2.gz WRGIIKFMVWCWAI-UNXYVOJBSA-N 0 3 235.331 2.003 10 0 BEAEHN CCOC1CC(N[C@H](C)c2cncs2)C1 ZINC000219279826 592221725 /nfs/dbraw/zinc/22/17/25/592221725.db2.gz DBYPANBZXVKFPT-XNWIYYODSA-N 0 3 226.345 2.361 10 0 BEAEHN CCOC1CC(N[C@H](C)c2nccnc2C)C1 ZINC000219278488 592221760 /nfs/dbraw/zinc/22/17/60/592221760.db2.gz WRGIIKFMVWCWAI-VOMCLLRMSA-N 0 3 235.331 2.003 10 0 BEAEHN OC[C@@H]1CCCC[C@H]1N[C@H]1CCc2cccnc21 ZINC000300733150 592518455 /nfs/dbraw/zinc/51/84/55/592518455.db2.gz OGYLCQFFOPIRQG-MJBXVCDLSA-N 0 3 246.354 2.210 10 0 BEAEHN CC1(C)COC[C@H]1N[C@H]1COc2ccccc21 ZINC000313020101 634439332 /nfs/dbraw/zinc/43/93/32/634439332.db2.gz ZZUSAORJZNNUNC-WCQYABFASA-N 0 3 233.311 2.135 10 0 BEAEHN CC1(C)C[C@H]1c1noc([C@@]2(C)CCCN2)n1 ZINC000225473403 635410263 /nfs/dbraw/zinc/41/02/63/635410263.db2.gz CYPOYNMWRGZDHF-QPUJVOFHSA-N 0 3 221.304 2.182 10 0 BEAEHN Cc1nc(CNC(C)(C)[C@H](C)O)sc1C ZINC000128295303 631458490 /nfs/dbraw/zinc/45/84/90/631458490.db2.gz NQQMTJWVUVKPAR-VIFPVBQESA-N 0 3 228.361 2.009 10 0 BEAEHN CC[C@H](NC(=O)[C@H](N)CC1CC1)c1ccccc1 ZINC000310698750 632889809 /nfs/dbraw/zinc/88/98/09/632889809.db2.gz XCFQPICJBOIGJN-KGLIPLIRSA-N 0 3 246.354 2.381 10 0 BEAEHN C[C@]1(c2nc(CC3CCC3)no2)CCCN1 ZINC000304630164 635945559 /nfs/dbraw/zinc/94/55/59/635945559.db2.gz QMGBUELASUHJLU-GFCCVEGCSA-N 0 3 221.304 2.011 10 0 BEAEHN CCc1ccc([C@H](C)N[C@@H](C)[C@H](C)O)o1 ZINC000336757176 636005368 /nfs/dbraw/zinc/00/53/68/636005368.db2.gz JAKCFKNQQRZIBU-GUBZILKMSA-N 0 3 211.305 2.262 10 0 BEAEHN C[C@H](O)[C@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000309942749 633966987 /nfs/dbraw/zinc/96/69/87/633966987.db2.gz CDDWXJLZFYLSPQ-IUCAKERBSA-N 0 3 242.388 2.300 10 0 BEAEHN C[C@@H](NCc1cnc(C2CCC2)s1)[C@H](C)O ZINC000309964700 633992373 /nfs/dbraw/zinc/99/23/73/633992373.db2.gz MXLWIBUCXYHHFV-BDAKNGLRSA-N 0 3 240.372 2.270 10 0 BEAEHN COc1ccc(OCCNCc2ccoc2)cc1 ZINC000053567273 634246856 /nfs/dbraw/zinc/24/68/56/634246856.db2.gz MZCCPUZWRTZQQD-UHFFFAOYSA-N 0 3 247.294 2.457 10 0 BEAEHN COc1ccc(CN[C@@H](C)[C@H](C)O)c(Cl)c1 ZINC000336700829 635221441 /nfs/dbraw/zinc/22/14/41/635221441.db2.gz NRPJVUWQSYWFNS-IUCAKERBSA-N 0 3 243.734 2.208 10 0 BEAEHN CCc1cccnc1[C@H](C)N[C@@H](C)[C@@H](C)O ZINC000336751687 635257724 /nfs/dbraw/zinc/25/77/24/635257724.db2.gz CKRQPWQIFQVZKF-GARJFASQSA-N 0 3 222.332 2.064 10 0 BEAEHN Cc1cccc(Cc2noc([C@@H]3CCCN3)n2)c1 ZINC000043561006 638585275 /nfs/dbraw/zinc/58/52/75/638585275.db2.gz PFFFHVHAISOERA-LBPRGKRZSA-N 0 3 243.310 2.393 10 0 BEAEHN Cc1cc(N(C)Cc2cccs2)nc(N)n1 ZINC000045723938 640652223 /nfs/dbraw/zinc/65/22/23/640652223.db2.gz KASDARXPRPAUPU-UHFFFAOYSA-N 0 3 234.328 2.065 10 0 BEAEHN COC(CN[C@@H]1CCc2c1cccc2F)OC ZINC000214643444 640770862 /nfs/dbraw/zinc/77/08/62/640770862.db2.gz PFNMJJXUXNSOMP-GFCCVEGCSA-N 0 3 239.290 2.022 10 0 BEAEHN C[C@H]1CN(CCC(=O)C(C)(C)C)CCCO1 ZINC000061934008 641007993 /nfs/dbraw/zinc/00/79/93/641007993.db2.gz DCGGXABCEXDTQO-NSHDSACASA-N 0 3 227.348 2.103 10 0 BEAEHN CCc1ccc(CNC2CC(OC)C2)o1 ZINC000230690041 641086139 /nfs/dbraw/zinc/08/61/39/641086139.db2.gz YKMGEGDREVDGJG-UHFFFAOYSA-N 0 3 209.289 2.109 10 0 BEAEHN COC1CC(NCc2cc(C)ccc2F)C1 ZINC000230689428 641087144 /nfs/dbraw/zinc/08/71/44/641087144.db2.gz PUJAXRRLAYLXFA-UHFFFAOYSA-N 0 3 223.291 2.401 10 0 BEAEHN Cc1cccc([C@H](O)CN(C)C[C@@H]2CCCO2)c1 ZINC000044171282 641589255 /nfs/dbraw/zinc/58/92/55/641589255.db2.gz ZZFBHYVYIBWIOT-LSDHHAIUSA-N 0 3 249.354 2.139 10 0 BEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000049185474 641713386 /nfs/dbraw/zinc/71/33/86/641713386.db2.gz DBPUTHNUUAAJSS-ZJUUUORDSA-N 0 3 240.372 2.361 10 0 BEAEHN Cc1cc(NC[C@@H]2CC=CCC2)nc(N)n1 ZINC000049281769 641714800 /nfs/dbraw/zinc/71/48/00/641714800.db2.gz DYNMGUGXQLILLD-SNVBAGLBSA-N 0 3 218.304 2.135 10 0 BEAEHN Cc1cc(N(C)C2CCCCC2)nc(N)n1 ZINC000043531914 643527307 /nfs/dbraw/zinc/52/73/07/643527307.db2.gz ICOLOHSTHUAVES-UHFFFAOYSA-N 0 3 220.320 2.136 10 0 BEAEHN COC(=O)C[C@H](N)c1cc(F)cc(Cl)c1 ZINC000095638364 644759448 /nfs/dbraw/zinc/75/94/48/644759448.db2.gz HLYYKYOKEXFBBB-VIFPVBQESA-N 0 3 231.654 2.042 10 0 BEAEHN Cn1c(Cl)cnc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000378803594 712361810 /nfs/dbraw/zinc/36/18/10/712361810.db2.gz VRXQMLRSLFGGOQ-IVZWLZJFSA-N 0 3 239.750 2.352 10 0 BEAEHN c1cc2c(s1)CCO[C@H]2CNC1CSC1 ZINC000380097018 712686064 /nfs/dbraw/zinc/68/60/64/712686064.db2.gz KOCWYXCHIAIFCU-JTQLQIEISA-N 0 3 241.381 2.067 10 0 BEAEHN C[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)c1cn(C)nn1 ZINC000720592687 712856130 /nfs/dbraw/zinc/85/61/30/712856130.db2.gz ZSKCJWBRJWMHJN-OUAUKWLOSA-N 0 3 236.363 2.290 10 0 BEAEHN Cc1cn(C)nc1CNC1(C(C)C)CC1 ZINC000723936698 711545439 /nfs/dbraw/zinc/54/54/39/711545439.db2.gz YYGICNBDMQDYPK-UHFFFAOYSA-N 0 3 207.321 2.007 10 0 BEAEHN CC[C@H]([NH2+][C@H](C)c1nnc(C)[n-]1)[C@H]1C[C@@H]1C ZINC000321925881 712080480 /nfs/dbraw/zinc/08/04/80/712080480.db2.gz RTYYAHKQUHHGRL-OEIWMXHLSA-N 0 3 222.336 2.198 10 0 BEAEHN CCCn1cc([C@@H](C)N[C@@H](C)C(C)C)nn1 ZINC000715849119 712535852 /nfs/dbraw/zinc/53/58/52/712535852.db2.gz DOLLJINYTCZVIY-WDEREUQCSA-N 0 3 224.352 2.383 10 0 BEAEHN COC(CN[C@H](C)c1cccc(C)c1)OC ZINC000037473130 712644172 /nfs/dbraw/zinc/64/41/72/712644172.db2.gz YSZGBMHSTGKUJP-LLVKDONJSA-N 0 3 223.316 2.265 10 0 BEAEHN CCC(=O)CCCN1CCC[C@@H](C(C)=O)C1 ZINC000722086450 712831212 /nfs/dbraw/zinc/83/12/12/712831212.db2.gz CRRLCLIQOJZUBJ-GFCCVEGCSA-N 0 3 225.332 2.047 10 0 BEAEHN C[C@@H](N[C@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592202 712855834 /nfs/dbraw/zinc/85/58/34/712855834.db2.gz UMVXUZVWBGQXNS-PWSUYJOCSA-N 0 3 234.347 2.189 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1cn(C)nn1 ZINC000720602208 712857543 /nfs/dbraw/zinc/85/75/43/712857543.db2.gz KKEDXONMLJJDPQ-CYZMBNFOSA-N 0 3 248.374 2.435 10 0 BEAEHN CCC(CC)(CNCc1cnn(C)c1C)OC ZINC000310530696 168325226 /nfs/dbraw/zinc/32/52/26/168325226.db2.gz NXCUNFGUWCWYQZ-UHFFFAOYSA-N 0 3 239.363 2.023 10 0 BEAEHN Cc1cc(CN[C@@H]2CCC[C@H]2C)nc(C)n1 ZINC000309738695 178033185 /nfs/dbraw/zinc/03/31/85/178033185.db2.gz CXQHMQYJSPQRDS-NOZJJQNGSA-N 0 3 219.332 2.372 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1snnc1C ZINC000379657528 398160903 /nfs/dbraw/zinc/16/09/03/398160903.db2.gz MNHKERVLNGBVCS-RKDXNWHRSA-N 0 3 211.334 2.125 10 0 BEAEHN CC(C)N1CCC[C@@H](OC(F)(F)F)C1 ZINC000616617454 398182669 /nfs/dbraw/zinc/18/26/69/398182669.db2.gz YEDNTIQBUUIQSN-MRVPVSSYSA-N 0 3 211.227 2.396 10 0 BEAEHN Cc1cc(Cl)cn2c([C@H](C)N)cnc12 ZINC000082693421 178070239 /nfs/dbraw/zinc/07/02/39/178070239.db2.gz MSOYQBWXIFNSPW-ZETCQYMHSA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1cc(N)ccc1NC(=O)[C@H](C)N(C)C(C)C ZINC000019257429 178106030 /nfs/dbraw/zinc/10/60/30/178106030.db2.gz YMZCOQKIUAXPPL-NSHDSACASA-N 0 3 249.358 2.244 10 0 BEAEHN Cc1cc(N)ccc1SCCN(C)C ZINC000037193895 178107263 /nfs/dbraw/zinc/10/72/63/178107263.db2.gz YXISVYWKSNZIBW-UHFFFAOYSA-N 0 3 210.346 2.231 10 0 BEAEHN CO[C@H](C(C)C)[C@H]1NC(C)(C)CS1 ZINC000306788997 398200967 /nfs/dbraw/zinc/20/09/67/398200967.db2.gz SQTYLPSVRYCMJE-BDAKNGLRSA-N 0 3 203.351 2.099 10 0 BEAEHN CN1CCCCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616622181 398207103 /nfs/dbraw/zinc/20/71/03/398207103.db2.gz VZQLCKOMJHWUCR-ZDUSSCGKSA-N 0 3 232.327 2.332 10 0 BEAEHN Cc1cc(NC(=O)[C@](C)(N)C2CC2)ccc1F ZINC000061119353 178149482 /nfs/dbraw/zinc/14/94/82/178149482.db2.gz XHYDHMIBMUQAIP-CYBMUJFWSA-N 0 3 236.290 2.200 10 0 BEAEHN Cc1cc(NCCN2CCC[C@H](C)C2)nnc1C ZINC000302321423 178162106 /nfs/dbraw/zinc/16/21/06/178162106.db2.gz RINQETIJQZOJDG-NSHDSACASA-N 0 3 248.374 2.237 10 0 BEAEHN Cc1cc(OC[C@@H]2CNCCO2)ccc1C(C)C ZINC000011587445 178212092 /nfs/dbraw/zinc/21/20/92/178212092.db2.gz ADQCKWSIYXYJJH-AWEZNQCLSA-N 0 3 249.354 2.486 10 0 BEAEHN Cc1cc([C@H](C)N[C@@H](C)C(C)C)nn1C ZINC000282176986 178251510 /nfs/dbraw/zinc/25/15/10/178251510.db2.gz MODHEAJYIRLDBN-QWRGUYRKSA-N 0 3 209.337 2.424 10 0 BEAEHN Cc1cc2c(ccnc2NCCN(C)C)o1 ZINC000302187489 178279420 /nfs/dbraw/zinc/27/94/20/178279420.db2.gz WHVPFWOYNKNSTP-UHFFFAOYSA-N 0 3 219.288 2.110 10 0 BEAEHN Cc1ccc(-c2ccc(=NN)[nH]n2)cc1C ZINC000011567890 178325436 /nfs/dbraw/zinc/32/54/36/178325436.db2.gz CFQTUEFJSKDWLL-UHFFFAOYSA-N 0 3 214.272 2.046 10 0 BEAEHN C[C@H]1CCC[C@@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000383871829 398258793 /nfs/dbraw/zinc/25/87/93/398258793.db2.gz HXNNPKXASTWRBZ-WDEREUQCSA-N 0 3 236.363 2.298 10 0 BEAEHN Cc1nn(-c2ccc(C)cc2)c(C)c1CN ZINC000019485827 178348135 /nfs/dbraw/zinc/34/81/35/178348135.db2.gz MBFFQLAJSSMGJQ-UHFFFAOYSA-N 0 3 215.300 2.256 10 0 BEAEHN CC[C@@H](NC[C@@H]1CCCN1C)c1nccs1 ZINC000386271763 398264222 /nfs/dbraw/zinc/26/42/22/398264222.db2.gz ZUZNXYYQDJKHEM-WDEREUQCSA-N 0 3 239.388 2.278 10 0 BEAEHN CCC(CC)N(CCO)[C@@H]1CCCCCC1=O ZINC000042499914 168374640 /nfs/dbraw/zinc/37/46/40/168374640.db2.gz RGTZXPMNAGMKBD-CYBMUJFWSA-N 0 3 241.375 2.371 10 0 BEAEHN CCc1ncc(CNCC[C@H]2CCCO2)s1 ZINC000038096496 538965092 /nfs/dbraw/zinc/96/50/92/538965092.db2.gz LVQMGXSXZINYKY-SNVBAGLBSA-N 0 3 240.372 2.364 10 0 BEAEHN CCN1CCC[C@H](c2[nH]nc3c2CCCCN3)C1 ZINC000003698322 342736578 /nfs/dbraw/zinc/73/65/78/342736578.db2.gz GGPAGYWSUHOXJM-NSHDSACASA-N 0 3 248.374 2.357 10 0 BEAEHN N[C@H]1COc2c1cc(Br)cc2Cl ZINC000035653777 342754056 /nfs/dbraw/zinc/75/40/56/342754056.db2.gz AZRSAUCDYTWXQC-ZETCQYMHSA-N 0 3 248.507 2.495 10 0 BEAEHN N[C@@H]1COc2c1cc(Cl)cc2Cl ZINC000008699627 342802603 /nfs/dbraw/zinc/80/26/03/342802603.db2.gz OKEOLIUJGZJCIX-SSDOTTSWSA-N 0 3 204.056 2.386 10 0 BEAEHN N=C(N)c1cc(C2CC2)n(Cc2ccccc2)n1 ZINC000147979476 342784813 /nfs/dbraw/zinc/78/48/13/342784813.db2.gz WJHLQXJXJNTFGD-UHFFFAOYSA-N 0 3 240.310 2.093 10 0 BEAEHN COCc1nc(CNC[C@@H]2CC2(C)C)cs1 ZINC000309684452 342787645 /nfs/dbraw/zinc/78/76/45/342787645.db2.gz GZSZJQCDGLLLRV-VIFPVBQESA-N 0 3 240.372 2.425 10 0 BEAEHN c1cn(C[C@H]2CCCN2Cc2cncs2)cn1 ZINC000188398811 538978463 /nfs/dbraw/zinc/97/84/63/538978463.db2.gz AJVVSZQYYCLKCY-LLVKDONJSA-N 0 3 248.355 2.004 10 0 BEAEHN c1cn(C[C@@H]2CCCN2Cc2cncs2)cn1 ZINC000188398790 538978594 /nfs/dbraw/zinc/97/85/94/538978594.db2.gz AJVVSZQYYCLKCY-NSHDSACASA-N 0 3 248.355 2.004 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CCCN(C)C2)o1 ZINC000040671996 538973158 /nfs/dbraw/zinc/97/31/58/538973158.db2.gz WHWCZUQIGAHLJN-NWDGAFQWSA-N 0 3 222.332 2.333 10 0 BEAEHN Cc1c(CN[C@H]2CCC(F)(F)C2)cnn1C ZINC000381021535 538993820 /nfs/dbraw/zinc/99/38/20/538993820.db2.gz AGTPGHJJKFWNSU-JTQLQIEISA-N 0 3 229.274 2.006 10 0 BEAEHN FCC[C@H]1CCC[C@@H]1NCc1cocn1 ZINC000380001396 538983807 /nfs/dbraw/zinc/98/38/07/538983807.db2.gz MZPLBBZSKURMAR-KOLCDFICSA-N 0 3 212.268 2.293 10 0 BEAEHN CCCCN[C@H](CO)c1cccc(OC)c1 ZINC000390755973 539027283 /nfs/dbraw/zinc/02/72/83/539027283.db2.gz HMGSQDWRDXQEAL-CYBMUJFWSA-N 0 3 223.316 2.118 10 0 BEAEHN Cc1nc(CN)cc(-c2ccc(F)c(F)c2)n1 ZINC000259067277 342839571 /nfs/dbraw/zinc/83/95/71/342839571.db2.gz NBADTNUGOPBACL-UHFFFAOYSA-N 0 3 235.237 2.189 10 0 BEAEHN Cc1cc(C)n(C[C@H](N)c2ccccc2)n1 ZINC000011849687 342843778 /nfs/dbraw/zinc/84/37/78/342843778.db2.gz FRIVAMXAKSUKOJ-ZDUSSCGKSA-N 0 3 215.300 2.200 10 0 BEAEHN OCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000059653768 342852401 /nfs/dbraw/zinc/85/24/01/342852401.db2.gz VBUXKBBLHHYUKK-ZDUSSCGKSA-N 0 3 223.291 2.345 10 0 BEAEHN OCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000059653771 342852541 /nfs/dbraw/zinc/85/25/41/342852541.db2.gz VBUXKBBLHHYUKK-CYBMUJFWSA-N 0 3 223.291 2.345 10 0 BEAEHN CC[C@@H](N)c1nc([C@@H]2CCOC2)cs1 ZINC000164974133 342861428 /nfs/dbraw/zinc/86/14/28/342861428.db2.gz GTKVQKUERPQVHH-HTQZYQBOSA-N 0 3 212.318 2.057 10 0 BEAEHN c1cc(CCNCc2ccccn2)cs1 ZINC000042249142 398321794 /nfs/dbraw/zinc/32/17/94/398321794.db2.gz QFVDJWWINAFUQP-UHFFFAOYSA-N 0 3 218.325 2.475 10 0 BEAEHN COC(CN[C@H](C)c1cccs1)OC ZINC000037473024 342933490 /nfs/dbraw/zinc/93/34/90/342933490.db2.gz VBIHGHMQJWPLGE-MRVPVSSYSA-N 0 3 215.318 2.018 10 0 BEAEHN CCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000038120379 398336306 /nfs/dbraw/zinc/33/63/06/398336306.db2.gz ALKSTEWFTXATRU-SNVBAGLBSA-N 0 3 233.233 2.348 10 0 BEAEHN CCN(CCC(C)=O)Cc1ccc2c(c1)OCO2 ZINC000120009055 398336816 /nfs/dbraw/zinc/33/68/16/398336816.db2.gz UCKNOCGBXCBNRW-UHFFFAOYSA-N 0 3 249.310 2.216 10 0 BEAEHN C[C@@H](N)c1cnc(-c2cccnc2)s1 ZINC000011760721 398338189 /nfs/dbraw/zinc/33/81/89/398338189.db2.gz JCLHCJGBVBEYDP-SSDOTTSWSA-N 0 3 205.286 2.225 10 0 BEAEHN Cc1ccc([C@H](C)NC(=O)CNC2CC2)c(C)c1 ZINC000037765419 398334224 /nfs/dbraw/zinc/33/42/24/398334224.db2.gz SSSOVPCBZBIZKR-LBPRGKRZSA-N 0 3 246.354 2.233 10 0 BEAEHN c1cc2c(c(CNCC[C@@H]3CCCO3)c1)OCO2 ZINC000037991373 398335453 /nfs/dbraw/zinc/33/54/53/398335453.db2.gz VDMABBAEXKFQSN-LBPRGKRZSA-N 0 3 249.310 2.074 10 0 BEAEHN N[C@@H](CF)c1ccc(OC(F)F)cc1 ZINC000020285864 342980703 /nfs/dbraw/zinc/98/07/03/342980703.db2.gz OMESPTLWAHBLEZ-QMMMGPOBSA-N 0 3 205.179 2.257 10 0 BEAEHN NCc1c2nc(C3CC3)[nH]c2ccc1F ZINC000584881788 343082914 /nfs/dbraw/zinc/08/29/14/343082914.db2.gz QVYCGTJAJXWRMC-UHFFFAOYSA-N 0 3 205.236 2.038 10 0 BEAEHN CC(C)c1ccc2ncc(N)c(N)c2c1 ZINC000584882170 343084228 /nfs/dbraw/zinc/08/42/28/343084228.db2.gz REAXTBCBZULGRP-UHFFFAOYSA-N 0 3 201.273 2.353 10 0 BEAEHN Nc1cnc2ccc(OCC3CC3)cc2c1N ZINC000584882190 343084240 /nfs/dbraw/zinc/08/42/40/343084240.db2.gz SOYIPAJTISYWJU-UHFFFAOYSA-N 0 3 229.283 2.018 10 0 BEAEHN Cc1noc(C)c1CN1CCC[C@@H]1CCCO ZINC000052762769 136271847 /nfs/dbraw/zinc/27/18/47/136271847.db2.gz UIAYBNYBBXWZQE-GFCCVEGCSA-N 0 3 238.331 2.028 10 0 BEAEHN COC[C@H](N)c1ccc(OC(F)(F)F)cc1 ZINC000020262398 343140573 /nfs/dbraw/zinc/14/05/73/343140573.db2.gz WLMBKVSXSGKGKY-VIFPVBQESA-N 0 3 235.205 2.231 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC2(CCCC2)C1 ZINC000237044874 136272158 /nfs/dbraw/zinc/27/21/58/136272158.db2.gz XQLNXKXBMFWDQT-NWDGAFQWSA-N 0 3 238.375 2.153 10 0 BEAEHN Cc1ccc(C)c([C@](C)(NCC(C)C)C(N)=O)c1 ZINC000037951845 178503519 /nfs/dbraw/zinc/50/35/19/178503519.db2.gz BJNPAXFYEPHMCS-HNNXBMFYSA-N 0 3 248.370 2.250 10 0 BEAEHN Cc1nc([C@H](C)N)ccc1Br ZINC000238423973 343257213 /nfs/dbraw/zinc/25/72/13/343257213.db2.gz BWYCVPBXBCQDBS-YFKPBYRVSA-N 0 3 215.094 2.172 10 0 BEAEHN CCC(C)(C)CCn1cc(C(C)(C)N)nn1 ZINC000641050026 362157898 /nfs/dbraw/zinc/15/78/98/362157898.db2.gz UGKJGEGXPHSBOH-UHFFFAOYSA-N 0 3 224.352 2.298 10 0 BEAEHN Fc1ccc(Cc2noc([C@@H]3CCCN3)n2)cc1 ZINC000036925429 343328059 /nfs/dbraw/zinc/32/80/59/343328059.db2.gz IYILMVBHWCQFTO-NSHDSACASA-N 0 3 247.273 2.224 10 0 BEAEHN Cc1cnccc1[C@@H]1NCCc2cc(O)ccc21 ZINC000038805229 343379263 /nfs/dbraw/zinc/37/92/63/343379263.db2.gz OOJUAVZVMJFJJV-HNNXBMFYSA-N 0 3 240.306 2.331 10 0 BEAEHN Fc1ccc2cccc(N3CCNCC3)c2c1 ZINC000139407007 343347719 /nfs/dbraw/zinc/34/77/19/343347719.db2.gz OXILFZGUHAMDTB-UHFFFAOYSA-N 0 3 230.286 2.389 10 0 BEAEHN OC[C@@H]1C[C@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000308959535 346943123 /nfs/dbraw/zinc/94/31/23/346943123.db2.gz YOMUKYRRGVJAPZ-GZMMTYOYSA-N 0 3 246.137 2.464 10 0 BEAEHN Cc1ccc([C@H](O)CN(C)C[C@@H]2CCCO2)cc1 ZINC000044170810 343493618 /nfs/dbraw/zinc/49/36/18/343493618.db2.gz SVCKGRABAHUSJW-LSDHHAIUSA-N 0 3 249.354 2.139 10 0 BEAEHN CC(C)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000082725347 343461226 /nfs/dbraw/zinc/46/12/26/343461226.db2.gz VBFKZBKDFGZFOU-QWHCGFSZSA-N 0 3 210.365 2.201 10 0 BEAEHN CC1(C)[C@@H](NCc2ccco2)[C@@H]2CCO[C@@H]21 ZINC000082943711 343472275 /nfs/dbraw/zinc/47/22/75/343472275.db2.gz QVUXFFHZCCYHGX-SRVKXCTJSA-N 0 3 221.300 2.183 10 0 BEAEHN CCN1CCCCC[C@@H]1c1ccnnc1 ZINC000616605429 343520086 /nfs/dbraw/zinc/52/00/86/343520086.db2.gz KSGOCNNTZHAGLP-GFCCVEGCSA-N 0 3 205.305 2.414 10 0 BEAEHN C[C@]1([C@@H]2CCCO2)NCCc2ccsc21 ZINC000712512436 537787071 /nfs/dbraw/zinc/78/70/71/537787071.db2.gz KKZAWNUUKFWGOY-CMPLNLGQSA-N 0 3 223.341 2.288 10 0 BEAEHN C[C@H]1CC[C@@]2(CO1)NCCc1ccsc12 ZINC000712542741 537791651 /nfs/dbraw/zinc/79/16/51/537791651.db2.gz NSJCWWHECAXZTC-CABZTGNLSA-N 0 3 223.341 2.288 10 0 BEAEHN C[C@H]1CC[C@]2(CO1)NCCc1ccsc12 ZINC000712542742 537793328 /nfs/dbraw/zinc/79/33/28/537793328.db2.gz NSJCWWHECAXZTC-JOYOIKCWSA-N 0 3 223.341 2.288 10 0 BEAEHN CC[C@@H]1C[C@]2(CO1)NCCc1ccsc12 ZINC000712522523 537789695 /nfs/dbraw/zinc/78/96/95/537789695.db2.gz KBFUDUANZCTCLQ-ZYHUDNBSSA-N 0 3 223.341 2.288 10 0 BEAEHN Cc1ncc([C@@H]2NCCc3ccsc32)n1C ZINC000712523679 537790106 /nfs/dbraw/zinc/79/01/06/537790106.db2.gz PMJNMOWSTFJBBW-NSHDSACASA-N 0 3 233.340 2.025 10 0 BEAEHN CC[C@@H](O)CN(Cc1ccsc1)C1CC1 ZINC000036099412 343635996 /nfs/dbraw/zinc/63/59/96/343635996.db2.gz PLAOBQVNCROFAE-GFCCVEGCSA-N 0 3 225.357 2.483 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000379988847 365786758 /nfs/dbraw/zinc/78/67/58/365786758.db2.gz SBXCCSHUERBFEU-GHMZBOCLSA-N 0 3 232.327 2.135 10 0 BEAEHN Cc1ccc(CN)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000050430679 178562173 /nfs/dbraw/zinc/56/21/73/178562173.db2.gz FSCCYYIWZMJLKU-ONGXEEELSA-N 0 3 218.300 2.048 10 0 BEAEHN CNc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(C)n1 ZINC000127844146 343787425 /nfs/dbraw/zinc/78/74/25/343787425.db2.gz QYBNMRYAZRJWRY-NXEZZACHSA-N 0 3 234.347 2.309 10 0 BEAEHN CN[C@@H](Cc1ccc(F)cc1)c1nccn1C ZINC000069473516 537823085 /nfs/dbraw/zinc/82/30/85/537823085.db2.gz KIBJDPKTDDWUAY-LBPRGKRZSA-N 0 3 233.290 2.062 10 0 BEAEHN CN1C[C@@H](CO)C[C@@H]1c1ccccc1Cl ZINC000409438924 343845953 /nfs/dbraw/zinc/84/59/53/343845953.db2.gz FACRMOQYPDSYGX-JOYOIKCWSA-N 0 3 225.719 2.325 10 0 BEAEHN NCc1cc(-c2cccs2)nn1CCF ZINC000409443727 343863003 /nfs/dbraw/zinc/86/30/03/343863003.db2.gz SLTSKZXEDAUBJQ-UHFFFAOYSA-N 0 3 225.292 2.040 10 0 BEAEHN NCc1cnc(Sc2cccs2)cn1 ZINC000070581622 343952887 /nfs/dbraw/zinc/95/28/87/343952887.db2.gz FTTKWXIPRLYFGP-UHFFFAOYSA-N 0 3 223.326 2.148 10 0 BEAEHN CCC1(CC)C[C@H](N)c2cccnc2O1 ZINC000616569436 344170518 /nfs/dbraw/zinc/17/05/18/344170518.db2.gz UKJYHGPLAIYRPB-JTQLQIEISA-N 0 3 206.289 2.423 10 0 BEAEHN CCc1ccc(CC)c(NC(=O)[C@H](N)CC)c1 ZINC000130183554 344120387 /nfs/dbraw/zinc/12/03/87/344120387.db2.gz KAIVVXSONWIECX-GFCCVEGCSA-N 0 3 234.343 2.487 10 0 BEAEHN NC[C@H](F)Cc1c(F)cccc1Cl ZINC000158054126 344330297 /nfs/dbraw/zinc/33/02/97/344330297.db2.gz FQQPMQVIBYMBOP-ZCFIWIBFSA-N 0 3 205.635 2.318 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1 ZINC000092677465 344301113 /nfs/dbraw/zinc/30/11/13/344301113.db2.gz SEOLVZXLRDKDDD-AWEZNQCLSA-N 0 3 246.354 2.243 10 0 BEAEHN CC(C)N1CCO[C@H](c2cccnc2)CC1 ZINC000616594583 344418112 /nfs/dbraw/zinc/41/81/12/344418112.db2.gz RHMUJFYYNQNJFS-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN Cn1c(N)ncc1-c1ccc(Cl)s1 ZINC000220819572 344595006 /nfs/dbraw/zinc/59/50/06/344595006.db2.gz WPHGIIZFTUNUSP-UHFFFAOYSA-N 0 3 213.693 2.384 10 0 BEAEHN CC(C)C[C@H](C)[C@@H]1NCCc2nc[nH]c21 ZINC000400408735 537854700 /nfs/dbraw/zinc/85/47/00/537854700.db2.gz ROMPDCYJOYENHL-ONGXEEELSA-N 0 3 207.321 2.279 10 0 BEAEHN C[C@@H]1CCCC[C@H]1[C@@H]1NCCc2nc[nH]c21 ZINC000400378084 537855135 /nfs/dbraw/zinc/85/51/35/537855135.db2.gz DLCVRMBCDXDIPS-FOGDFJRCSA-N 0 3 219.332 2.423 10 0 BEAEHN CC[C@@]1([C@H]2CC2(C)C)NCCc2nc[nH]c21 ZINC000400399307 537855166 /nfs/dbraw/zinc/85/51/66/537855166.db2.gz SEAWKWRPRJIUPS-GWCFXTLKSA-N 0 3 219.332 2.207 10 0 BEAEHN C[C@@H]1CN(C)CCCN1c1nc(Cl)cs1 ZINC000235434503 344910726 /nfs/dbraw/zinc/91/07/26/344910726.db2.gz OWZRPCLGLGFLIX-MRVPVSSYSA-N 0 3 245.779 2.327 10 0 BEAEHN C[C@@H]1SCC[C@@]12NC[C@@H](C)CS2 ZINC000235364235 344894606 /nfs/dbraw/zinc/89/46/06/344894606.db2.gz FSLFRPLVDASOLK-VGMNWLOBSA-N 0 3 203.376 2.181 10 0 BEAEHN Cc1csc([C@@H](N)[C@H]2CCSC2)n1 ZINC000224627394 344957006 /nfs/dbraw/zinc/95/70/06/344957006.db2.gz LBASYUPBUXXJQW-YUMQZZPRSA-N 0 3 214.359 2.204 10 0 BEAEHN Cc1csc([C@H](N)[C@H]2CCSC2)n1 ZINC000224627447 344957010 /nfs/dbraw/zinc/95/70/10/344957010.db2.gz LBASYUPBUXXJQW-JGVFFNPUSA-N 0 3 214.359 2.204 10 0 BEAEHN N[C@@H](CCO)c1c(F)cccc1C(F)(F)F ZINC000044233027 344988138 /nfs/dbraw/zinc/98/81/38/344988138.db2.gz AORJHECBDUIXKH-QMMMGPOBSA-N 0 3 237.196 2.227 10 0 BEAEHN COc1ccc2ccccc2c1[C@@H](N)CCO ZINC000044232334 344988205 /nfs/dbraw/zinc/98/82/05/344988205.db2.gz VKBFAOOZWPSWPT-LBPRGKRZSA-N 0 3 231.295 2.231 10 0 BEAEHN N[C@H](CCO)c1cc(F)cc(C(F)(F)F)c1 ZINC000044233042 344988486 /nfs/dbraw/zinc/98/84/86/344988486.db2.gz QVVMRNSPQCHMDO-SECBINFHSA-N 0 3 237.196 2.227 10 0 BEAEHN N[C@@H](CCO)c1ccc(C(F)(F)F)cc1F ZINC000044233033 344988613 /nfs/dbraw/zinc/98/86/13/344988613.db2.gz NLNYAEPREUTQSF-VIFPVBQESA-N 0 3 237.196 2.227 10 0 BEAEHN N[C@H](CCO)c1cc(Cl)ccc1Cl ZINC000044233272 344989007 /nfs/dbraw/zinc/98/90/07/344989007.db2.gz WCGWYAUSIHNSOJ-SECBINFHSA-N 0 3 220.099 2.376 10 0 BEAEHN Cc1ccc(F)c([C@@H](N)CCO)c1Cl ZINC000044233454 344989021 /nfs/dbraw/zinc/98/90/21/344989021.db2.gz IJZGAGRGKAALGD-QMMMGPOBSA-N 0 3 217.671 2.170 10 0 BEAEHN CCN1CCC[C@H]1CN(C)Cc1cncs1 ZINC000123379518 344997706 /nfs/dbraw/zinc/99/77/06/344997706.db2.gz VIUCMTZGWPXJNO-NSHDSACASA-N 0 3 239.388 2.059 10 0 BEAEHN Cc1ccc([C@H](N)Cn2cccn2)cc1C ZINC000011849791 345032498 /nfs/dbraw/zinc/03/24/98/345032498.db2.gz NYSQGZUATLEELX-CYBMUJFWSA-N 0 3 215.300 2.200 10 0 BEAEHN NCc1c(Cl)nccc1OC(F)(F)F ZINC000238604662 345090203 /nfs/dbraw/zinc/09/02/03/345090203.db2.gz LLBDWVHDUAGRHO-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN C[C@H]1SCC[C@]12NC(C)(C)CS2 ZINC000235683323 345172592 /nfs/dbraw/zinc/17/25/92/345172592.db2.gz NPAFOKYPBICJCG-VXNVDRBHSA-N 0 3 203.376 2.323 10 0 BEAEHN O=C1c2ccccc2CC[C@@]12CCCCN2 ZINC000146578549 345151073 /nfs/dbraw/zinc/15/10/73/345151073.db2.gz MTJXFDCEGJPPAE-AWEZNQCLSA-N 0 3 215.296 2.328 10 0 BEAEHN Cc1cccc([C@H](C)NCC(=O)N2CCCC2)c1 ZINC000134798817 345421739 /nfs/dbraw/zinc/42/17/39/345421739.db2.gz HRRFWFPQCHZTLW-ZDUSSCGKSA-N 0 3 246.354 2.268 10 0 BEAEHN CCOC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000133990986 345394120 /nfs/dbraw/zinc/39/41/20/345394120.db2.gz KMTKUWKINMGDLA-ZJUUUORDSA-N 0 3 226.295 2.296 10 0 BEAEHN CC(C)(C)OC(=O)N1CC(N)(c2ccccc2)C1 ZINC000143828312 345757159 /nfs/dbraw/zinc/75/71/59/345757159.db2.gz ZIGCVNGIYACWBN-UHFFFAOYSA-N 0 3 248.326 2.091 10 0 BEAEHN c1coc(CN2CCC[C@@H]2Cn2ccnc2)c1 ZINC000097103953 537909772 /nfs/dbraw/zinc/90/97/72/537909772.db2.gz UNZVSOGFRUOCQF-GFCCVEGCSA-N 0 3 231.299 2.141 10 0 BEAEHN Fc1ccc2c(cccc2N2CCNCC2)c1 ZINC000034325849 345821396 /nfs/dbraw/zinc/82/13/96/345821396.db2.gz KENIOSDTYGBWIO-UHFFFAOYSA-N 0 3 230.286 2.389 10 0 BEAEHN C[C@H]1CCn2cc([C@H]3CCCCN3)nc2C1 ZINC000258142961 345780200 /nfs/dbraw/zinc/78/02/00/345780200.db2.gz DDPRCFAYPXNLIP-WDEREUQCSA-N 0 3 219.332 2.280 10 0 BEAEHN CC(C)[C@@H]1CN(c2nc3ccccc3o2)CCN1 ZINC000141371596 345860041 /nfs/dbraw/zinc/86/00/41/345860041.db2.gz LYLIZKJRTIKTOG-LBPRGKRZSA-N 0 3 245.326 2.262 10 0 BEAEHN Cc1cccc2c1CCN[C@@H]2CN1CCCC1 ZINC000034426619 345832667 /nfs/dbraw/zinc/83/26/67/345832667.db2.gz FUIUUKVILHNGAG-OAHLLOKOSA-N 0 3 230.355 2.278 10 0 BEAEHN Fc1cccc2c1CCN[C@@H]2CN1CCCC1 ZINC000034426625 345833054 /nfs/dbraw/zinc/83/30/54/345833054.db2.gz MGZOKHUYHHZDPH-CQSZACIVSA-N 0 3 234.318 2.108 10 0 BEAEHN NC1CN(Cc2ccc(Cl)cc2Cl)C1 ZINC000083634537 345919444 /nfs/dbraw/zinc/91/94/44/345919444.db2.gz JEMWSYHSVUWWJI-UHFFFAOYSA-N 0 3 231.126 2.136 10 0 BEAEHN Cc1nc(N)cc(N[C@H]2CCCC[C@H]2C)n1 ZINC000087808218 345942065 /nfs/dbraw/zinc/94/20/65/345942065.db2.gz QYJBYPDUTCEYJY-SCZZXKLOSA-N 0 3 220.320 2.358 10 0 BEAEHN CC[C@@H]1CCCCN1c1cc(N)nc(C)n1 ZINC000087808994 345942121 /nfs/dbraw/zinc/94/21/21/345942121.db2.gz WDSYJVMLNQJBKM-SNVBAGLBSA-N 0 3 220.320 2.136 10 0 BEAEHN c1cc2c(s1)CCN[C@H]2[C@H]1CCCO1 ZINC000307642589 537924497 /nfs/dbraw/zinc/92/44/97/537924497.db2.gz MCDOPERHCKBCMQ-MWLCHTKSSA-N 0 3 209.314 2.114 10 0 BEAEHN Cc1ccc(-c2ccc(F)nc2)c(CN)n1 ZINC000669372266 537949909 /nfs/dbraw/zinc/94/99/09/537949909.db2.gz LSJZTGPIZKHLFG-UHFFFAOYSA-N 0 3 217.247 2.050 10 0 BEAEHN CCN1CCC[C@@H]1CNc1ccnc(Cl)n1 ZINC000051849416 346148515 /nfs/dbraw/zinc/14/85/15/346148515.db2.gz NCKDHCANHPIPIJ-SECBINFHSA-N 0 3 240.738 2.026 10 0 BEAEHN Cc1cccc(C(=O)CN2CCSC2=N)c1 ZINC000169314203 179004211 /nfs/dbraw/zinc/00/42/11/179004211.db2.gz YGMBLAVLGCCCJW-UHFFFAOYSA-N 0 3 234.324 2.161 10 0 BEAEHN c1cn2cc(CNC3CCC3)nc2s1 ZINC000148686524 346405431 /nfs/dbraw/zinc/40/54/31/346405431.db2.gz GWPRZETVTUSILO-UHFFFAOYSA-N 0 3 207.302 2.038 10 0 BEAEHN Cc1cccc(CNC[C@@H]2CCCCO2)n1 ZINC000051575926 179091332 /nfs/dbraw/zinc/09/13/32/179091332.db2.gz VNPICCGISYKSMZ-ZDUSSCGKSA-N 0 3 220.316 2.049 10 0 BEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1O ZINC000229837204 346468755 /nfs/dbraw/zinc/46/87/55/346468755.db2.gz PQRVAWUIQXVUHR-OCCSQVGLSA-N 0 3 237.318 2.419 10 0 BEAEHN Cc1cccc(CNC[C@H]2CCC[C@H]2O)c1F ZINC000295772426 179094114 /nfs/dbraw/zinc/09/41/14/179094114.db2.gz QYUKUYVDMXITBA-DGCLKSJQSA-N 0 3 237.318 2.385 10 0 BEAEHN Cc1cccc(CN[C@H]2CCO[C@@H]2C)c1F ZINC000294995227 179101487 /nfs/dbraw/zinc/10/14/87/179101487.db2.gz HHOPLOZDPDVGMC-PWSUYJOCSA-N 0 3 223.291 2.401 10 0 BEAEHN CN[C@H]1COc2cc(Br)c(F)cc21 ZINC000149086088 346543207 /nfs/dbraw/zinc/54/32/07/346543207.db2.gz LZKMFGAPFDKUBV-QMMMGPOBSA-N 0 3 246.079 2.241 10 0 BEAEHN Cc1cccc(NC(=O)CN[C@@H](C)C2CC2)c1 ZINC000035142250 179129126 /nfs/dbraw/zinc/12/91/26/179129126.db2.gz KPDZPTMMFXJMAA-NSHDSACASA-N 0 3 232.327 2.322 10 0 BEAEHN CCC[C@@H](C)[C@H]1NCCc2ncn(C)c21 ZINC000725242753 537986271 /nfs/dbraw/zinc/98/62/71/537986271.db2.gz QAWMGLHVVCDMLS-MWLCHTKSSA-N 0 3 207.321 2.043 10 0 BEAEHN Cc1cccc(OCCCN2CCC(O)CC2)c1 ZINC000032104673 179164869 /nfs/dbraw/zinc/16/48/69/179164869.db2.gz QIXFPCQGAFNILM-UHFFFAOYSA-N 0 3 249.354 2.221 10 0 BEAEHN Cc1cccc([C@@H](NC2CCCC2)C(N)=O)c1 ZINC000037968687 179186864 /nfs/dbraw/zinc/18/68/64/179186864.db2.gz APNXFDRYWHLAQO-CYBMUJFWSA-N 0 3 232.327 2.054 10 0 BEAEHN Cc1cccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000133044640 179196746 /nfs/dbraw/zinc/19/67/46/179196746.db2.gz XYKUUYKVFSWHSL-GXTWGEPZSA-N 0 3 246.354 2.266 10 0 BEAEHN Cc1cccc([C@H](NC2CCCC2)C(N)=O)c1 ZINC000037968686 179202156 /nfs/dbraw/zinc/20/21/56/179202156.db2.gz APNXFDRYWHLAQO-ZDUSSCGKSA-N 0 3 232.327 2.054 10 0 BEAEHN c1cc2c(o1)CCN[C@@]21C[C@H]2CCC[C@@H]21 ZINC000725242865 537989071 /nfs/dbraw/zinc/98/90/71/537989071.db2.gz HIBWAUBCRGTXDN-GBIKHYSHSA-N 0 3 203.285 2.441 10 0 BEAEHN CCC[C@@H]1N[C@H](C)CC[S@](=O)[C@H]1CC ZINC000251173317 362842465 /nfs/dbraw/zinc/84/24/65/362842465.db2.gz QCGOZGXXPYFGFN-ZHPDPMBESA-N 0 3 217.378 2.064 10 0 BEAEHN Cc1ccccc1N(C)C(=O)[C@@H]1CCC[C@H](C)N1 ZINC000049990844 179294903 /nfs/dbraw/zinc/29/49/03/179294903.db2.gz IPFPHYLYXMKAIA-STQMWFEESA-N 0 3 246.354 2.488 10 0 BEAEHN Cc1ccccc1C[C@@H](CN)C(=O)NC(C)(C)C ZINC000050304476 179289758 /nfs/dbraw/zinc/28/97/58/179289758.db2.gz NOZXRYISMBGFHT-ZDUSSCGKSA-N 0 3 248.370 2.027 10 0 BEAEHN C1CCC(N2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000120168212 187385468 /nfs/dbraw/zinc/38/54/68/187385468.db2.gz PKRDGKSZBSPLPZ-NWDGAFQWSA-N 0 3 227.373 2.135 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(Cl)ccn1 ZINC000233972624 490125563 /nfs/dbraw/zinc/12/55/63/490125563.db2.gz CTBLZQWEDDZRML-GMSGAONNSA-N 0 3 241.722 2.047 10 0 BEAEHN Cc1cccnc1-c1ncc([C@H](C)N)c(C)n1 ZINC000054962665 179356757 /nfs/dbraw/zinc/35/67/57/179356757.db2.gz WXVXREDNQOUGSA-VIFPVBQESA-N 0 3 228.299 2.175 10 0 BEAEHN Cc1cccnc1CN[C@H](C)[C@@H]1CCCO1 ZINC000161797254 179385273 /nfs/dbraw/zinc/38/52/73/179385273.db2.gz RLPILNWNZXBFEB-YPMHNXCESA-N 0 3 220.316 2.047 10 0 BEAEHN C[C@@H]1CN[C@@]2(CCN(Cc3ccccc3)C2)S1 ZINC000159136458 348308467 /nfs/dbraw/zinc/30/84/67/348308467.db2.gz GKZOUYGOKJLIIK-OCCSQVGLSA-N 0 3 248.395 2.314 10 0 BEAEHN Cc1cccnc1NC(=O)c1cccc(CN)c1 ZINC000019812124 179394093 /nfs/dbraw/zinc/39/40/93/179394093.db2.gz MCDLDOYOWBLXQP-UHFFFAOYSA-N 0 3 241.294 2.101 10 0 BEAEHN Cc1nn(C)cc1CNC1C(C)(C)C1(C)C ZINC000127928541 187395636 /nfs/dbraw/zinc/39/56/36/187395636.db2.gz HGWWVSMIUVPYAW-UHFFFAOYSA-N 0 3 221.348 2.253 10 0 BEAEHN CC(C)=CCNC[C@@H](c1ccco1)N(C)C ZINC000237155777 187396421 /nfs/dbraw/zinc/39/64/21/187396421.db2.gz PFIYGXKPZXGQGN-LBPRGKRZSA-N 0 3 222.332 2.438 10 0 BEAEHN N[C@@H]1C[C@]12CNc1c2cccc1C(F)(F)F ZINC000725246906 538009390 /nfs/dbraw/zinc/00/93/90/538009390.db2.gz APCKXFZRSPXWKV-PSASIEDQSA-N 0 3 228.217 2.100 10 0 BEAEHN c1ccc(CN2CC[C@]3(C2)NCCCS3)cc1 ZINC000159147229 348644071 /nfs/dbraw/zinc/64/40/71/348644071.db2.gz HUOVKIIYIWRHRP-AWEZNQCLSA-N 0 3 248.395 2.315 10 0 BEAEHN N[C@@H]1C[C@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247688 538013134 /nfs/dbraw/zinc/01/31/34/538013134.db2.gz USPJSFCLUODZPH-NXEZZACHSA-N 0 3 228.217 2.100 10 0 BEAEHN Cc1ccc(Cl)c2c1[C@@]1(C[C@@H]1N)CN2 ZINC000725247603 538014062 /nfs/dbraw/zinc/01/40/62/538014062.db2.gz RVHRZLXDSIDEQA-KWQFWETISA-N 0 3 208.692 2.043 10 0 BEAEHN Cc1nn(C(C)C)cc1CN[C@H]1C[C@@H]1C ZINC000281447868 187404724 /nfs/dbraw/zinc/40/47/24/187404724.db2.gz SPJUJMBVHFLUOC-CABZTGNLSA-N 0 3 207.321 2.270 10 0 BEAEHN CN[C@H](C)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000054074762 348876375 /nfs/dbraw/zinc/87/63/75/348876375.db2.gz BZHCZWUNYXLXEG-RISCZKNCSA-N 0 3 246.354 2.130 10 0 BEAEHN CCn1ncc2c1[C@@H]1CCCC[C@H]1NC2 ZINC000616573358 349069592 /nfs/dbraw/zinc/06/95/92/349069592.db2.gz LLQSTTIFLIUZLA-GHMZBOCLSA-N 0 3 205.305 2.032 10 0 BEAEHN CC(C)(C)c1nc([C@H](N)C(C)(C)C)n[nH]1 ZINC000616573620 349072462 /nfs/dbraw/zinc/07/24/62/349072462.db2.gz IFRBIZZBMGXKDK-ZETCQYMHSA-N 0 3 210.325 2.148 10 0 BEAEHN N[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000299805617 538030575 /nfs/dbraw/zinc/03/05/75/538030575.db2.gz XPYQFIOWYHKGOX-GFCCVEGCSA-N 0 3 205.301 2.239 10 0 BEAEHN CCc1cc(NC(=O)[C@@H](C)NC)ccc1C ZINC000300832739 349357283 /nfs/dbraw/zinc/35/72/83/349357283.db2.gz CRLAKKMIPGKDAS-SNVBAGLBSA-N 0 3 220.316 2.104 10 0 BEAEHN NCc1nsc2c1c(F)c(F)cc2F ZINC000725254074 538042975 /nfs/dbraw/zinc/04/29/75/538042975.db2.gz FWAMDTKNWVWMMS-UHFFFAOYSA-N 0 3 218.203 2.172 10 0 BEAEHN OCc1cccc([C@@H]2NCCc3ccccc32)c1 ZINC000616587479 349431055 /nfs/dbraw/zinc/43/10/55/349431055.db2.gz MOYUZRMOTFKCBA-INIZCTEOSA-N 0 3 239.318 2.414 10 0 BEAEHN CSCCCCNCc1c(Cl)cnn1C ZINC000131681553 191016685 /nfs/dbraw/zinc/01/66/85/191016685.db2.gz YFHULJMGADGJCO-UHFFFAOYSA-N 0 3 247.795 2.306 10 0 BEAEHN Cc1nc(N2CCSCC2)sc1[C@H](C)N ZINC000054894765 180002941 /nfs/dbraw/zinc/00/29/41/180002941.db2.gz CEAGGHOFTZOVGK-ZETCQYMHSA-N 0 3 243.401 2.024 10 0 BEAEHN Cc1nc(N2CC[C@H](C)C2)sc1[C@@H](C)N ZINC000054896448 180003412 /nfs/dbraw/zinc/00/34/12/180003412.db2.gz IRNVJWZGZQMNRD-JGVFFNPUSA-N 0 3 225.361 2.317 10 0 BEAEHN Cc1[nH]c([C@@H](C)N)nc1-c1ccccc1 ZINC000036872261 180033140 /nfs/dbraw/zinc/03/31/40/180033140.db2.gz QVKFQKPUNLPBMO-MRVPVSSYSA-N 0 3 201.273 2.405 10 0 BEAEHN Cc1ccc(CN[C@@H]2C[C@H]2CO)cc1Cl ZINC000309166697 350114165 /nfs/dbraw/zinc/11/41/65/350114165.db2.gz JHZBSNDJGKOMJY-CMPLNLGQSA-N 0 3 225.719 2.119 10 0 BEAEHN Cc1nc([C@@H](N)Cc2cccnc2)cs1 ZINC000082366343 180040233 /nfs/dbraw/zinc/04/02/33/180040233.db2.gz ZHVRWXKFQWNSAN-JTQLQIEISA-N 0 3 219.313 2.089 10 0 BEAEHN C[C@@H](NCC[C@H]1CCCO1)c1cncc(F)c1 ZINC000131992012 191019994 /nfs/dbraw/zinc/01/99/94/191019994.db2.gz WRSVDYHXDPRKDM-ZWNOBZJWSA-N 0 3 238.306 2.440 10 0 BEAEHN Cc1nc([C@H](N)Cc2ccncc2)cs1 ZINC000082366336 180052530 /nfs/dbraw/zinc/05/25/30/180052530.db2.gz FVAMLHPRSKHXOQ-SNVBAGLBSA-N 0 3 219.313 2.089 10 0 BEAEHN Cc1nc([C@H]2CCCN2)nc2c1CCCC2 ZINC000082536273 180055048 /nfs/dbraw/zinc/05/50/48/180055048.db2.gz YPSYUPFRXSLRDT-GFCCVEGCSA-N 0 3 217.316 2.088 10 0 BEAEHN Cc1nc2c(Cl)cccn2c1[C@H](C)N ZINC000082695427 180063372 /nfs/dbraw/zinc/06/33/72/180063372.db2.gz DNPNTPRCZXYCLE-LURJTMIESA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1nc2c(Cl)cccn2c1[C@@H](C)N ZINC000082695426 180064860 /nfs/dbraw/zinc/06/48/60/180064860.db2.gz DNPNTPRCZXYCLE-ZCFIWIBFSA-N 0 3 209.680 2.316 10 0 BEAEHN CCN1CCC[C@@H](N[C@@H](C)c2cncs2)C1 ZINC000132520000 191033458 /nfs/dbraw/zinc/03/34/58/191033458.db2.gz SFJDCKIOEJWCOY-WDEREUQCSA-N 0 3 239.388 2.278 10 0 BEAEHN CCc1ccc(CNCC[C@@H](C)[S@](C)=O)o1 ZINC000132573982 191033814 /nfs/dbraw/zinc/03/38/14/191033814.db2.gz GKZPVOWZSOTYOO-QLJPJBMISA-N 0 3 243.372 2.089 10 0 BEAEHN C[C@H](CCNCc1ccccc1F)[S@](C)=O ZINC000132594401 191034021 /nfs/dbraw/zinc/03/40/21/191034021.db2.gz LHKTYJKHGABGND-QLJPJBMISA-N 0 3 243.347 2.072 10 0 BEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NC(C)(C)C ZINC000132262885 191030980 /nfs/dbraw/zinc/03/09/80/191030980.db2.gz NWDKBZFFZWWPEH-NSHDSACASA-N 0 3 243.395 2.060 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC(C)(C)C ZINC000132263022 191031098 /nfs/dbraw/zinc/03/10/98/191031098.db2.gz NWDKBZFFZWWPEH-LLVKDONJSA-N 0 3 243.395 2.060 10 0 BEAEHN CSCCCCN[C@H](C)c1cnccn1 ZINC000133638860 191043003 /nfs/dbraw/zinc/04/30/03/191043003.db2.gz RLQBFEDZXXASTC-SNVBAGLBSA-N 0 3 225.361 2.270 10 0 BEAEHN Cc1ccc(CNC[C@H](O)C(C)(C)C)nc1C ZINC000314105173 350167054 /nfs/dbraw/zinc/16/70/54/350167054.db2.gz FHHHHWXAIUKJIM-ZDUSSCGKSA-N 0 3 236.359 2.195 10 0 BEAEHN Cc1ncc(CN[C@H]2CCCC[C@@H]2CO)s1 ZINC000152331097 180157912 /nfs/dbraw/zinc/15/79/12/180157912.db2.gz FLVOIHYEGWSQFE-PWSUYJOCSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1nccc(NCc2ccc3c(c2)CNC3)n1 ZINC000097829692 180200278 /nfs/dbraw/zinc/20/02/78/180200278.db2.gz LGTRAXQSBBLIQA-UHFFFAOYSA-N 0 3 240.310 2.000 10 0 BEAEHN Cc1nccc(CNC2(C(C)C)CC2)n1 ZINC000339502978 180187217 /nfs/dbraw/zinc/18/72/17/180187217.db2.gz WORLJRIPYGMTDF-UHFFFAOYSA-N 0 3 205.305 2.063 10 0 BEAEHN Cc1nccc(CNC[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000104236166 180189179 /nfs/dbraw/zinc/18/91/79/180189179.db2.gz WJFJSYVEOQXVCD-YNEHKIRRSA-N 0 3 231.343 2.311 10 0 BEAEHN Cc1ncccc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000165320482 180228202 /nfs/dbraw/zinc/22/82/02/180228202.db2.gz FCQFRXWNMRZLSC-CMPLNLGQSA-N 0 3 231.343 2.427 10 0 BEAEHN CCC(C)(C)c1nc2n(c1CN)CCCC2 ZINC000725259746 538080558 /nfs/dbraw/zinc/08/05/58/538080558.db2.gz HQIITGYBPKENRG-UHFFFAOYSA-N 0 3 221.348 2.366 10 0 BEAEHN CCC(C)(C)c1nc2ccccn2c1CN ZINC000725259787 538081025 /nfs/dbraw/zinc/08/10/25/538081025.db2.gz ISNSNNVYVQKWFA-UHFFFAOYSA-N 0 3 217.316 2.481 10 0 BEAEHN C=Cc1cncc(C[C@@H]2CCCN(C)C2)n1 ZINC000725262152 538087881 /nfs/dbraw/zinc/08/78/81/538087881.db2.gz YVYDCTNSRYGEPP-NSHDSACASA-N 0 3 217.316 2.004 10 0 BEAEHN Cc1nccnc1[C@H](C)NC[C@H]1CCCCO1 ZINC000219114418 180283689 /nfs/dbraw/zinc/28/36/89/180283689.db2.gz KNOXSZSTUALYKZ-NWDGAFQWSA-N 0 3 235.331 2.005 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000079341862 350359643 /nfs/dbraw/zinc/35/96/43/350359643.db2.gz GDUUUEONYQNZRN-NEPJUHHUSA-N 0 3 240.391 2.269 10 0 BEAEHN Cc1nn(C)c(N(C)[C@@H](C)CC(C)C)c1CN ZINC000042588506 180353888 /nfs/dbraw/zinc/35/38/88/180353888.db2.gz XFRQLPLJAMVEKV-JTQLQIEISA-N 0 3 238.379 2.058 10 0 BEAEHN Cc1nn(C)c(O[C@H]2CCC[C@@H](C)C2)c1CN ZINC000020517791 180361845 /nfs/dbraw/zinc/36/18/45/180361845.db2.gz HCRMRFJNACOVEC-KOLCDFICSA-N 0 3 237.347 2.145 10 0 BEAEHN C[C@@H]1CC[C@@H](C)N(Cc2cncnc2)C1 ZINC000127772774 490558215 /nfs/dbraw/zinc/55/82/15/490558215.db2.gz QPTGELZUHGPEKY-GHMZBOCLSA-N 0 3 205.305 2.097 10 0 BEAEHN C[C@H](Oc1ccccc1)c1cc(CN)ncn1 ZINC000409436509 350479795 /nfs/dbraw/zinc/47/97/95/350479795.db2.gz CURSELSIULOERU-JTQLQIEISA-N 0 3 229.283 2.075 10 0 BEAEHN Cc1nn([C@@H](CN)c2cccs2)c(C)c1C ZINC000043107361 180392199 /nfs/dbraw/zinc/39/21/99/180392199.db2.gz VHGNDJHJODLJAN-NSHDSACASA-N 0 3 235.356 2.418 10 0 BEAEHN Cc1nn(CCNCc2ccoc2)c(C)c1C ZINC000053540391 180388935 /nfs/dbraw/zinc/38/89/35/180388935.db2.gz ANCIHDHPICLXFD-UHFFFAOYSA-N 0 3 233.315 2.191 10 0 BEAEHN Cc1nnc(C(C)(C)N)n1C1CCCCC1 ZINC000042039262 180399084 /nfs/dbraw/zinc/39/90/84/180399084.db2.gz DTQCIWSSVZJHIK-UHFFFAOYSA-N 0 3 222.336 2.286 10 0 BEAEHN CCN1CCC[C@@H](NCc2ccoc2C)C1 ZINC000321589199 323385035 /nfs/dbraw/zinc/38/50/35/323385035.db2.gz PCVLOXUOGPSQOC-CYBMUJFWSA-N 0 3 222.332 2.162 10 0 BEAEHN CCN1CCO[C@H](c2ccc(N)cc2)CC1 ZINC000616593736 350584274 /nfs/dbraw/zinc/58/42/74/350584274.db2.gz KYSPAMASDONYJQ-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CNc1cccc([C@H]2CCN(C)CCO2)c1 ZINC000616594095 350593424 /nfs/dbraw/zinc/59/34/24/350593424.db2.gz NYXRSDNSNYJOAM-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2cccnc2N)CC1 ZINC000616594806 350596881 /nfs/dbraw/zinc/59/68/81/350596881.db2.gz HQYLMVDUQBYNKP-GFCCVEGCSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)N1CCO[C@@H](c2ccncc2)CC1 ZINC000616595424 350607193 /nfs/dbraw/zinc/60/71/93/350607193.db2.gz LMKQUHWJVUVPGJ-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CN1CCOC[C@@H](c2cccc3ncccc32)C1 ZINC000616596792 350637642 /nfs/dbraw/zinc/63/76/42/350637642.db2.gz BZFFTNGXYLYELM-LBPRGKRZSA-N 0 3 242.322 2.280 10 0 BEAEHN CN1CCCOC[C@H]1c1cccc2nnccc21 ZINC000616596899 350638316 /nfs/dbraw/zinc/63/83/16/350638316.db2.gz JVYFOOUCELWXQQ-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCOC[C@@H](c2cccc3cccnc32)C1 ZINC000616596759 350637163 /nfs/dbraw/zinc/63/71/63/350637163.db2.gz BHUQTZOCYGFLFE-ZDUSSCGKSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)N1CCOCC[C@H]1c1ccccc1CO ZINC000616597707 350653433 /nfs/dbraw/zinc/65/34/33/350653433.db2.gz IUDRSGHCEYPPNU-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)N1CCOCC[C@@H]1c1ccncc1 ZINC000616599552 350751336 /nfs/dbraw/zinc/75/13/36/350751336.db2.gz RGKWLLYAEVTYRX-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CCN1CCOCC[C@@H]1c1ccccc1OC ZINC000616599854 350761670 /nfs/dbraw/zinc/76/16/70/350761670.db2.gz XZCSXIOAOGZGCF-CYBMUJFWSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)N1CCCC[C@@H]1c1ccnnc1 ZINC000616614037 350820793 /nfs/dbraw/zinc/82/07/93/350820793.db2.gz GMXBVYCFHADBIJ-GFCCVEGCSA-N 0 3 205.305 2.412 10 0 BEAEHN CNc1ccc([C@H]2COCCCN2C)cc1 ZINC000616600026 350779475 /nfs/dbraw/zinc/77/94/75/350779475.db2.gz XYYRCWOYDYYGQV-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CCN1CCN[C@H](c2cccc3ccncc32)C1 ZINC000616601717 350786874 /nfs/dbraw/zinc/78/68/74/350786874.db2.gz IOYXLMAMSJEWJQ-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616606438 350797476 /nfs/dbraw/zinc/79/74/76/350797476.db2.gz GUINBFPEMKNTSB-LLVKDONJSA-N 0 3 242.363 2.384 10 0 BEAEHN CN1CCC[C@H]1c1ccc2ccnnc2c1 ZINC000616607939 350802087 /nfs/dbraw/zinc/80/20/87/350802087.db2.gz YTPSYNBCMVJARQ-ZDUSSCGKSA-N 0 3 213.284 2.397 10 0 BEAEHN CSC(C)(C)[C@H](N)c1ccncc1F ZINC000306681424 350838034 /nfs/dbraw/zinc/83/80/34/350838034.db2.gz OBXPUNJTRRQCTB-SECBINFHSA-N 0 3 214.309 2.362 10 0 BEAEHN COc1ccc([C@H]2CCCCN2CCO)cc1 ZINC000616614900 350842129 /nfs/dbraw/zinc/84/21/29/350842129.db2.gz YIHWWUDOBOELJJ-CQSZACIVSA-N 0 3 235.327 2.215 10 0 BEAEHN NCc1ccc(Br)cc1N1CCC1 ZINC000306706414 350853380 /nfs/dbraw/zinc/85/33/80/350853380.db2.gz KDFRDBKXFVBMBJ-UHFFFAOYSA-N 0 3 241.132 2.118 10 0 BEAEHN OCCN1CC[C@@H](c2nccc3ccccc32)C1 ZINC000616614176 350828993 /nfs/dbraw/zinc/82/89/93/350828993.db2.gz GLZPZERKFLEZRW-CYBMUJFWSA-N 0 3 242.322 2.016 10 0 BEAEHN CN[C@H](c1ccsc1)[C@H]1OCC[C@H]1C ZINC000129229477 351008932 /nfs/dbraw/zinc/00/89/32/351008932.db2.gz XJSGDDWEAPKOPJ-IEBDPFPHSA-N 0 3 211.330 2.434 10 0 BEAEHN C[C@@H]1CN[C@@]2(CCCS[C@H]2C)S1 ZINC000251933990 362990908 /nfs/dbraw/zinc/99/09/08/362990908.db2.gz YZWNJSZOUQPCMA-VGMNWLOBSA-N 0 3 203.376 2.323 10 0 BEAEHN Cc1nc([C@H](N)[C@@H]2CCCS2)cs1 ZINC000306804129 351058652 /nfs/dbraw/zinc/05/86/52/351058652.db2.gz XAOOLJQINMBSKW-IUCAKERBSA-N 0 3 214.359 2.347 10 0 BEAEHN CNc1ccc([C@H]2CN(C(C)C)CCN2)cc1 ZINC000616631824 351108934 /nfs/dbraw/zinc/10/89/34/351108934.db2.gz FUPJZNNAJXKXAY-CQSZACIVSA-N 0 3 233.359 2.083 10 0 BEAEHN CCN1CCN[C@H](c2cc3ccccc3cn2)C1 ZINC000616632096 351110183 /nfs/dbraw/zinc/11/01/83/351110183.db2.gz HQRQYWDGBOKVHH-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN c1onnc1[C@H]1CCN(Cc2ccccc2)C1 ZINC000616632170 351111159 /nfs/dbraw/zinc/11/11/59/351111159.db2.gz ITMGLEGZWACRAW-LBPRGKRZSA-N 0 3 229.283 2.059 10 0 BEAEHN CCN1CCN[C@@H](c2ccc3cccnc3c2)C1 ZINC000616632714 351113729 /nfs/dbraw/zinc/11/37/29/351113729.db2.gz YEBBUGXNYMVXCU-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)N1CCCCC[C@@H]1c1nc[nH]n1 ZINC000616622651 351085253 /nfs/dbraw/zinc/08/52/53/351085253.db2.gz HGOALQIIIDJFPU-SNVBAGLBSA-N 0 3 208.309 2.130 10 0 BEAEHN CC(C)N1CCCCC[C@@H]1c1nnc[nH]1 ZINC000616622651 351085255 /nfs/dbraw/zinc/08/52/55/351085255.db2.gz HGOALQIIIDJFPU-SNVBAGLBSA-N 0 3 208.309 2.130 10 0 BEAEHN CNc1ccc([C@H]2CCOCCN2C)cc1 ZINC000616655293 351193095 /nfs/dbraw/zinc/19/30/95/351193095.db2.gz BKQNSCXAGIYNDT-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CC(C)N1CCCOC[C@@H]1c1cccc(CO)c1 ZINC000616646613 351171336 /nfs/dbraw/zinc/17/13/36/351171336.db2.gz RKWCWJXJHLATJK-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2cnco2)C1 ZINC000616653652 351193839 /nfs/dbraw/zinc/19/38/39/351193839.db2.gz SCHWPYKIMYBYDU-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN CCN1CCCOC[C@H]1c1cccc(N)c1 ZINC000616648220 351175927 /nfs/dbraw/zinc/17/59/27/351175927.db2.gz BORVMRNLHRAVLN-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CCN1CCCO[C@H](c2cccc(OC)c2)C1 ZINC000616649389 351177870 /nfs/dbraw/zinc/17/78/70/351177870.db2.gz HLFVBTCTBNTSKO-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)N1CCCO[C@H](c2cccc(N)c2)C1 ZINC000616649383 351177959 /nfs/dbraw/zinc/17/79/59/351177959.db2.gz HDJHZZZIDWMHQS-AWEZNQCLSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2cccnc2N)C1 ZINC000616649911 351180110 /nfs/dbraw/zinc/18/01/10/351180110.db2.gz PHAMUXCZQMWTOW-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2cccc(N)c2)C1 ZINC000616652587 351185873 /nfs/dbraw/zinc/18/58/73/351185873.db2.gz HDJHZZZIDWMHQS-CQSZACIVSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ncco2)C1 ZINC000616652801 351187398 /nfs/dbraw/zinc/18/73/98/351187398.db2.gz KNQSNRORGIIWMJ-SNVBAGLBSA-N 0 3 224.304 2.237 10 0 BEAEHN CN1CCCO[C@@H](c2cccc3nnccc32)C1 ZINC000616651703 351188753 /nfs/dbraw/zinc/18/87/53/351188753.db2.gz IUQFRBLUFIDXAZ-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616651900 351188795 /nfs/dbraw/zinc/18/87/95/351188795.db2.gz LLXWLZCIPARIJF-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN COc1ccccc1[C@H]1CNCCN1C(C)(C)C ZINC000616637374 351132026 /nfs/dbraw/zinc/13/20/26/351132026.db2.gz LTPHSJKZYMMHRW-CYBMUJFWSA-N 0 3 248.370 2.440 10 0 BEAEHN CCN1CCNC[C@@H]1c1cnc2ccccc2c1 ZINC000616637274 351132311 /nfs/dbraw/zinc/13/23/11/351132311.db2.gz IVZKJTZRVBSJKV-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN COc1cccc([C@@H]2CNCCN2C(C)(C)C)c1 ZINC000616637916 351136562 /nfs/dbraw/zinc/13/65/62/351136562.db2.gz RZTKIUOPJQXSEC-AWEZNQCLSA-N 0 3 248.370 2.440 10 0 BEAEHN CCN1CCc2ccccc2[C@H]1c1cn[nH]c1 ZINC000616678779 351249166 /nfs/dbraw/zinc/24/91/66/351249166.db2.gz GXXFVYIZHIFCAY-CQSZACIVSA-N 0 3 227.311 2.377 10 0 BEAEHN CNc1cccc([C@@H]2CCN(C)CCO2)c1 ZINC000616686979 351257392 /nfs/dbraw/zinc/25/73/92/351257392.db2.gz NYXRSDNSNYJOAM-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CN1CCO[C@H](c2ccc(F)cc2)CC1 ZINC000616687388 351258627 /nfs/dbraw/zinc/25/86/27/351258627.db2.gz XBSQVRRQQNCIPF-LBPRGKRZSA-N 0 3 209.264 2.219 10 0 BEAEHN CC(C)N1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616658102 351200788 /nfs/dbraw/zinc/20/07/88/351200788.db2.gz BHOKSDFGXGBSMP-OAHLLOKOSA-N 0 3 249.354 2.003 10 0 BEAEHN CCN1CCOC[C@@H](c2ccccc2NC)C1 ZINC000616660394 351203258 /nfs/dbraw/zinc/20/32/58/351203258.db2.gz HRNILSPDRSLFFE-LBPRGKRZSA-N 0 3 234.343 2.164 10 0 BEAEHN c1cnc2ccc([C@H]3CCOCCN3)cc2c1 ZINC000616660517 351205065 /nfs/dbraw/zinc/20/50/65/351205065.db2.gz SXMQTZBWEVLSDV-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOC[C@H](c2ccc3cccnc3c2)C1 ZINC000616659382 351207422 /nfs/dbraw/zinc/20/74/22/351207422.db2.gz QWGOIRYGSWACMS-CQSZACIVSA-N 0 3 242.322 2.280 10 0 BEAEHN COc1ccc([C@H]2CCN(C)CCO2)cc1 ZINC000616666588 351226870 /nfs/dbraw/zinc/22/68/70/351226870.db2.gz ZMLLNIVBNLGXGE-CYBMUJFWSA-N 0 3 221.300 2.088 10 0 BEAEHN N[C@H](c1occc1Br)C1CC1 ZINC000068982358 351319721 /nfs/dbraw/zinc/31/97/21/351319721.db2.gz NGCOWSGLZFLACX-ZETCQYMHSA-N 0 3 216.078 2.452 10 0 BEAEHN Cc1nc([C@H](N)[C@@]2(C)C[C@H]2F)cs1 ZINC000306879708 351271359 /nfs/dbraw/zinc/27/13/59/351271359.db2.gz FCRNBTASBNUTDY-VGMNWLOBSA-N 0 3 200.282 2.199 10 0 BEAEHN C[C@](F)(c1ccns1)[C@H]1CCCN1 ZINC000306983024 351406571 /nfs/dbraw/zinc/40/65/71/351406571.db2.gz KBTWKOKYDJOFTA-VXNVDRBHSA-N 0 3 200.282 2.080 10 0 BEAEHN C(NC1=NC[C@H](C2CCC2)S1)C1CC1 ZINC000307032071 351432507 /nfs/dbraw/zinc/43/25/07/351432507.db2.gz PMPWPCIKQOZFET-SNVBAGLBSA-N 0 3 210.346 2.258 10 0 BEAEHN CCC[C@H](CNCc1cnn(C)c1C)OCC ZINC000623598798 363035900 /nfs/dbraw/zinc/03/59/00/363035900.db2.gz NYNRZZZAMAVGLV-CYBMUJFWSA-N 0 3 239.363 2.023 10 0 BEAEHN Cc1cnc(C2(N)CCC2)c(Br)c1 ZINC000307057902 351457342 /nfs/dbraw/zinc/45/73/42/351457342.db2.gz FHEFBVIUVQDESZ-UHFFFAOYSA-N 0 3 241.132 2.490 10 0 BEAEHN NC1CN(Cc2cc(Cl)sc2Cl)C1 ZINC000307185097 351583196 /nfs/dbraw/zinc/58/31/96/351583196.db2.gz HDLDHYOHFVQEGS-UHFFFAOYSA-N 0 3 237.155 2.198 10 0 BEAEHN NCc1ccc(-c2cccc(O)c2)nc1F ZINC000725269095 538101234 /nfs/dbraw/zinc/10/12/34/538101234.db2.gz DPCOLPWVBUHTAH-UHFFFAOYSA-N 0 3 218.231 2.052 10 0 BEAEHN N[C@H](c1ccns1)[C@H]1CCCCS1 ZINC000307275209 351829185 /nfs/dbraw/zinc/82/91/85/351829185.db2.gz PEFMLIXHEXTDCW-APPZFPTMSA-N 0 3 214.359 2.429 10 0 BEAEHN CC[C@@H](NCc1nncn1CC)C(C)(C)C ZINC000336734349 351890222 /nfs/dbraw/zinc/89/02/22/351890222.db2.gz KVRJGXOLZYWUHS-SNVBAGLBSA-N 0 3 224.352 2.212 10 0 BEAEHN COc1cc([C@H](N)[C@H]2CC2(C)C)sn1 ZINC000307339616 352081351 /nfs/dbraw/zinc/08/13/51/352081351.db2.gz SAJFIJSIWSJYMQ-HZGVNTEJSA-N 0 3 212.318 2.198 10 0 BEAEHN CC[C@@H]1CN=C(N[C@@H]2CS[C@H](C)C2)S1 ZINC000307347508 352102334 /nfs/dbraw/zinc/10/23/34/352102334.db2.gz QEJFBPQYGHRVFJ-HRDYMLBCSA-N 0 3 230.402 2.351 10 0 BEAEHN NCc1c(F)cc(F)cc1Br ZINC000300891375 363110612 /nfs/dbraw/zinc/11/06/12/363110612.db2.gz OOUDQDZIWCNBCL-UHFFFAOYSA-N 0 3 222.032 2.186 10 0 BEAEHN C[C@@H](N[C@@H](C)C1CC1)c1nnc2n1CCCCC2 ZINC000037140744 358469040 /nfs/dbraw/zinc/46/90/40/358469040.db2.gz NTNKWPWOJOATRH-WDEREUQCSA-N 0 3 248.374 2.454 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(F)(F)C[C@H]1C ZINC000638632308 352472348 /nfs/dbraw/zinc/47/23/48/352472348.db2.gz WLHSSYLBPSDCIX-IVZWLZJFSA-N 0 3 248.317 2.006 10 0 BEAEHN C[C@@]1(c2ncc(CN)s2)CCCS1 ZINC000307500545 352627420 /nfs/dbraw/zinc/62/74/20/352627420.db2.gz HTAQCOJONRNSJH-VIFPVBQESA-N 0 3 214.359 2.344 10 0 BEAEHN c1cc2c(s1)CCN[C@@]21CCSC1 ZINC000307503702 352630392 /nfs/dbraw/zinc/63/03/92/352630392.db2.gz XKCHPTBYWVAWMJ-SNVBAGLBSA-N 0 3 211.355 2.226 10 0 BEAEHN CSC[C@H](N)c1cc(F)c(F)cc1F ZINC000307526788 352634702 /nfs/dbraw/zinc/63/47/02/352634702.db2.gz IVZUOPJCKOMNST-VIFPVBQESA-N 0 3 221.247 2.467 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000638807416 352984388 /nfs/dbraw/zinc/98/43/88/352984388.db2.gz LXWFBYSPDQJADB-NWDGAFQWSA-N 0 3 238.375 2.056 10 0 BEAEHN C[C@@H]1Oc2c(c(F)ccc2Cl)[C@@H]1N ZINC000307100172 353054525 /nfs/dbraw/zinc/05/45/25/353054525.db2.gz GPVIRXNKQQVPFN-RNHFCUEFSA-N 0 3 201.628 2.260 10 0 BEAEHN CCCNc1cc(N)ncc1Br ZINC000307509271 353079977 /nfs/dbraw/zinc/07/99/77/353079977.db2.gz NSEHIKRYEHLILD-UHFFFAOYSA-N 0 3 230.109 2.248 10 0 BEAEHN Cc1cc([C@H](N)[C@H]2OCC[C@H]2C)cs1 ZINC000129490770 353138973 /nfs/dbraw/zinc/13/89/73/353138973.db2.gz ZEUPLSQHQUUIRV-GGVZMXCHSA-N 0 3 211.330 2.481 10 0 BEAEHN C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2CO)c2nccn21 ZINC000329285667 538108789 /nfs/dbraw/zinc/10/87/89/538108789.db2.gz OYEOJBASMVQAPI-VOAKCMCISA-N 0 3 249.358 2.030 10 0 BEAEHN N[C@@]1(c2ccc(Cl)cc2Cl)C[C@@H](O)C1 ZINC000536957811 323968357 /nfs/dbraw/zinc/96/83/57/323968357.db2.gz FBNJYZWCXHHEIT-WKFQBHICSA-N 0 3 232.110 2.302 10 0 BEAEHN COc1ccc([C@@H](N)COC(C)C)cc1OC ZINC000019270164 188106780 /nfs/dbraw/zinc/10/67/80/188106780.db2.gz YCHZLLVTGTYMOR-NSHDSACASA-N 0 3 239.315 2.129 10 0 BEAEHN CC(C)[C@@H]1NCCO[C@@H]1c1ccccc1 ZINC000037405099 188106961 /nfs/dbraw/zinc/10/69/61/188106961.db2.gz FUPUTQZKFZTXOY-QWHCGFSZSA-N 0 3 205.301 2.372 10 0 BEAEHN C[C@@H](N)c1ccccc1OC[C@H]1CCCO1 ZINC000022178198 188109283 /nfs/dbraw/zinc/10/92/83/188109283.db2.gz DGCINBYBJHSKSC-GHMZBOCLSA-N 0 3 221.300 2.264 10 0 BEAEHN Cc1ccc([C@H](N)CN(C)C2CC2)c(C)c1 ZINC000037081025 188113606 /nfs/dbraw/zinc/11/36/06/188113606.db2.gz ZKLHKQXMVVHZKQ-CQSZACIVSA-N 0 3 218.344 2.397 10 0 BEAEHN CC(C)C[C@H](C)N(C)C(=O)C1(N)CCCC1 ZINC000037807380 188114641 /nfs/dbraw/zinc/11/46/41/188114641.db2.gz BDHURPAQWGSGDR-NSHDSACASA-N 0 3 226.364 2.151 10 0 BEAEHN CC(C)C[C@@H](N[C@H](C)C(N)=O)c1ccccc1 ZINC000038249758 188117118 /nfs/dbraw/zinc/11/71/18/188117118.db2.gz QETWWVRTCJBJMO-DGCLKSJQSA-N 0 3 234.343 2.237 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(Cl)cn1 ZINC000040459097 188117831 /nfs/dbraw/zinc/11/78/31/188117831.db2.gz FQDOKOWXVLWCPF-SECBINFHSA-N 0 3 241.722 2.047 10 0 BEAEHN Cc1cc(C)n([C@@H](CN)c2sccc2C)n1 ZINC000043249131 188121404 /nfs/dbraw/zinc/12/14/04/188121404.db2.gz GJRUWQLVYXHLTC-NSHDSACASA-N 0 3 235.356 2.418 10 0 BEAEHN CC(C)=CCOc1cc2c(cc1CN)OCO2 ZINC000042873749 188122079 /nfs/dbraw/zinc/12/20/79/188122079.db2.gz PUSVCMCTMOHHBO-UHFFFAOYSA-N 0 3 235.283 2.219 10 0 BEAEHN CNc1ncccc1CN1CCCSCC1 ZINC000052730868 188126159 /nfs/dbraw/zinc/12/61/59/188126159.db2.gz WXZPUBQZBPSPGQ-UHFFFAOYSA-N 0 3 237.372 2.062 10 0 BEAEHN CCc1cccc(CC)c1NC(=O)[C@H](C)NC ZINC000052395643 188126438 /nfs/dbraw/zinc/12/64/38/188126438.db2.gz XWNCBMDPZASDJD-JTQLQIEISA-N 0 3 234.343 2.358 10 0 BEAEHN CC(C)(C)[C@@H](N)C(=O)Nc1ccc(Cl)cn1 ZINC000077488146 188136239 /nfs/dbraw/zinc/13/62/39/188136239.db2.gz FQDOKOWXVLWCPF-VIFPVBQESA-N 0 3 241.722 2.047 10 0 BEAEHN CC(C)C[C@@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000082327249 188138313 /nfs/dbraw/zinc/13/83/13/188138313.db2.gz QNCRPFNOXDPGBM-GFCCVEGCSA-N 0 3 241.356 2.136 10 0 BEAEHN C[C@H](CC1CCC1)NC(=O)[C@]1(C)CCCCN1 ZINC000638995745 353237971 /nfs/dbraw/zinc/23/79/71/353237971.db2.gz FRWBOBFBABGDIU-RISCZKNCSA-N 0 3 238.375 2.214 10 0 BEAEHN CC(C)(N)C(=O)Nc1cc(Cl)ccc1F ZINC000040920622 188149467 /nfs/dbraw/zinc/14/94/67/188149467.db2.gz NPRROBXDNQFZLH-UHFFFAOYSA-N 0 3 230.670 2.155 10 0 BEAEHN Cn1ccnc1CNCCC1CCCCC1 ZINC000037741887 358477356 /nfs/dbraw/zinc/47/73/56/358477356.db2.gz DZZNCEBWLRHEPY-UHFFFAOYSA-N 0 3 221.348 2.480 10 0 BEAEHN CCN(C)c1nc(C(C)(C)C)c(CN)s1 ZINC000054996317 188178165 /nfs/dbraw/zinc/17/81/65/188178165.db2.gz KDWRWFXSOMMVSC-UHFFFAOYSA-N 0 3 227.377 2.355 10 0 BEAEHN C[C@@H](N)c1ccccc1NC(=O)C1CC1 ZINC000022223471 188179783 /nfs/dbraw/zinc/17/97/83/188179783.db2.gz BFRIGRGLVGHGQO-MRVPVSSYSA-N 0 3 204.273 2.055 10 0 BEAEHN CSC[C@H](C)NC1=N[C@@H](C)CCS1 ZINC000127845023 353274531 /nfs/dbraw/zinc/27/45/31/353274531.db2.gz LVIGVVIUUHTQPU-YUMQZZPRSA-N 0 3 218.391 2.209 10 0 BEAEHN CC(C)(C)[C@](F)(CN)C1=COCCC1 ZINC000160172717 353374836 /nfs/dbraw/zinc/37/48/36/353374836.db2.gz LLFRHXJYKACOJT-NSHDSACASA-N 0 3 201.285 2.394 10 0 BEAEHN CC/C=C/CCN1CCC[C@H](n2cncn2)C1 ZINC000184530308 535232269 /nfs/dbraw/zinc/23/22/69/535232269.db2.gz GYMQXUKAZHKCAJ-OOPCZODUSA-N 0 3 234.347 2.271 10 0 BEAEHN C[C@@H]1C[C@@H]1N[C@@H]1CCCc2cccnc21 ZINC000085789611 491053070 /nfs/dbraw/zinc/05/30/70/491053070.db2.gz NFINELIEMYHCAE-JLLWLGSASA-N 0 3 202.301 2.457 10 0 BEAEHN COC[C@@H](C)NCc1cc(C)c(O)c(C)c1 ZINC000020305272 353702385 /nfs/dbraw/zinc/70/23/85/353702385.db2.gz YMCLUSGZXPONCZ-LLVKDONJSA-N 0 3 223.316 2.134 10 0 BEAEHN C[C@H]1CC(CNCc2ccns2)C[C@H](C)O1 ZINC000639136876 353846542 /nfs/dbraw/zinc/84/65/42/353846542.db2.gz XBUZBBOEYXGCJS-UWVGGRQHSA-N 0 3 240.372 2.436 10 0 BEAEHN Cc1nc([C@@H](C)N2CC3(CCC3)C[C@H]2C)n[nH]1 ZINC000334645875 354435859 /nfs/dbraw/zinc/43/58/59/354435859.db2.gz PQMYGWOJJRBDTF-NXEZZACHSA-N 0 3 234.347 2.439 10 0 BEAEHN CC(C)(C)[C@H]1CCC[C@@]1(N)c1ncc[nH]1 ZINC000521401705 259455379 /nfs/dbraw/zinc/45/53/79/259455379.db2.gz NATQVRRMWWNESM-SKDRFNHKSA-N 0 3 207.321 2.410 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cc(C)nn1C ZINC000233413553 363400517 /nfs/dbraw/zinc/40/05/17/363400517.db2.gz YYIBAJOFTDAOTC-JQWIXIFHSA-N 0 3 207.321 2.007 10 0 BEAEHN CCN1CCC[C@H](N[C@@H](C)c2cccnc2)C1 ZINC000040502185 358493056 /nfs/dbraw/zinc/49/30/56/358493056.db2.gz JIIISOGSMPUZSM-JSGCOSHPSA-N 0 3 233.359 2.217 10 0 BEAEHN N=C(N)Nc1cc(-c2ccccc2)ccn1 ZINC000013436483 181190990 /nfs/dbraw/zinc/19/09/90/181190990.db2.gz LQYVUDQYWIIZAV-UHFFFAOYSA-N 0 3 212.256 2.054 10 0 in-vivo BEAEHN N=C(N)c1nccc2ccc(Cl)cc21 ZINC000082768612 181197611 /nfs/dbraw/zinc/19/76/11/181197611.db2.gz MAGMKQAUIPAWBM-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN N=C1c2cc(F)ccc2CN1C[C@@H]1CCCO1 ZINC000071268495 181207705 /nfs/dbraw/zinc/20/77/05/181207705.db2.gz NAHYQHGHQKWTGM-NSHDSACASA-N 0 3 234.274 2.146 10 0 BEAEHN C[C@H](Cc1ccsc1)NCc1nccn1C ZINC000049182318 355937210 /nfs/dbraw/zinc/93/72/10/355937210.db2.gz FFELPARCCCSPFZ-SNVBAGLBSA-N 0 3 235.356 2.202 10 0 BEAEHN CC(C)=CCN[C@H]1Cc2ccccc2[C@H]1O ZINC000192314404 355979396 /nfs/dbraw/zinc/97/93/96/355979396.db2.gz KIYNDZKXPIROGP-UONOGXRCSA-N 0 3 217.312 2.201 10 0 BEAEHN CCN1CC[C@H](Nc2ncnc3sccc32)C1 ZINC000389268905 355943798 /nfs/dbraw/zinc/94/37/98/355943798.db2.gz QNSYFTFGMRYVJD-VIFPVBQESA-N 0 3 248.355 2.197 10 0 BEAEHN NC(=O)[C@@H](NC1CCCCC1)c1cccs1 ZINC000041672071 181265237 /nfs/dbraw/zinc/26/52/37/181265237.db2.gz KUPUQSIHFPTQGL-NSHDSACASA-N 0 3 238.356 2.197 10 0 BEAEHN C/C(=C/Cl)CN[C@@H]1COC(C)(C)C1 ZINC000396559810 356482305 /nfs/dbraw/zinc/48/23/05/356482305.db2.gz SICRBWAWPUGVNI-RDOCRHDPSA-N 0 3 203.713 2.286 10 0 BEAEHN O=C1OC(C(F)(F)F)N=C1Cc1ccccc1 ZINC000142071903 356468523 /nfs/dbraw/zinc/46/85/23/356468523.db2.gz ZAOAMTIDKBRQDW-SNVBAGLBSA-N 0 3 243.184 2.115 10 0 BEAEHN CCN1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000336189972 134123150 /nfs/dbraw/zinc/12/31/50/134123150.db2.gz ZQXGCUUSGLTMEC-GFCCVEGCSA-N 0 3 246.345 2.449 10 0 BEAEHN Cc1nc(C)c(CN2C[C@@H](O)CC[C@@H]2C)s1 ZINC000421003677 192298094 /nfs/dbraw/zinc/29/80/94/192298094.db2.gz COEGBDFEZHFWNX-KWQFWETISA-N 0 3 240.372 2.105 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1nnc(C(C)(C)C)[nH]1 ZINC000675061024 538486725 /nfs/dbraw/zinc/48/67/25/538486725.db2.gz WFHVNYOCBMJLJC-SFYZADRCSA-N 0 3 210.325 2.148 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1n[nH]c(C(C)(C)C)n1 ZINC000675061024 538486728 /nfs/dbraw/zinc/48/67/28/538486728.db2.gz WFHVNYOCBMJLJC-SFYZADRCSA-N 0 3 210.325 2.148 10 0 BEAEHN CC(C)(C)[C@H](N)c1n[nH]c(C2CCC2)n1 ZINC000675060980 538487042 /nfs/dbraw/zinc/48/70/42/538487042.db2.gz UFMGKAUKENZUBS-MRVPVSSYSA-N 0 3 208.309 2.118 10 0 BEAEHN CCC(O)(CC)CN1C[C@H](C)OC(C)(C)C1 ZINC000162996492 202134425 /nfs/dbraw/zinc/13/44/25/202134425.db2.gz YNDZRGDBZUJXEL-NSHDSACASA-N 0 3 229.364 2.037 10 0 BEAEHN CCCc1cn2c(n1)C1(CCC1)NCCC2 ZINC000675067426 538494426 /nfs/dbraw/zinc/49/44/26/538494426.db2.gz CZOBQHGYNWSASY-UHFFFAOYSA-N 0 3 219.332 2.208 10 0 BEAEHN CC[C@H](C)[C@@H]1NCCCn2cc(C)nc21 ZINC000675067787 538494998 /nfs/dbraw/zinc/49/49/98/538494998.db2.gz JKKRPTPXWIHLBU-ONGXEEELSA-N 0 3 207.321 2.272 10 0 BEAEHN CCC[C@@H]1NCCCn2cc(CC)nc21 ZINC000675068223 538495621 /nfs/dbraw/zinc/49/56/21/538495621.db2.gz NSKUQFLFLDQBPI-NSHDSACASA-N 0 3 207.321 2.280 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cc(OC)ns1 ZINC000399097634 366323995 /nfs/dbraw/zinc/32/39/95/366323995.db2.gz ZGCGAPVZSNDNEX-WCBMZHEXSA-N 0 3 226.345 2.430 10 0 BEAEHN COc1nc2c(C)ccc(F)c2cc1CN ZINC000675070089 538500281 /nfs/dbraw/zinc/50/02/81/538500281.db2.gz PIPNHARHEHYXCP-UHFFFAOYSA-N 0 3 220.247 2.150 10 0 BEAEHN CCN1CC[C@H](NCc2cccc(C)c2F)C1 ZINC000389448335 356673536 /nfs/dbraw/zinc/67/35/36/356673536.db2.gz PNLVJYYGWUSMJO-ZDUSSCGKSA-N 0 3 236.334 2.318 10 0 BEAEHN COc1ncccc1[C@H]1CCC[C@H](C)N1 ZINC000675072297 538502641 /nfs/dbraw/zinc/50/26/41/538502641.db2.gz BFLOLNUPNRBJNJ-GXSJLCMTSA-N 0 3 206.289 2.293 10 0 BEAEHN CCN[S@](=O)(=NC(C)C)c1ccc(N)cc1 ZINC000675074772 538507474 /nfs/dbraw/zinc/50/74/74/538507474.db2.gz HTNLWFRLCLFMPG-INIZCTEOSA-N 0 3 241.360 2.029 10 0 BEAEHN CCN1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000389428902 356667519 /nfs/dbraw/zinc/66/75/19/356667519.db2.gz XOVVVAUBRTVVSQ-NSHDSACASA-N 0 3 242.326 2.136 10 0 BEAEHN COc1cc(C)c2nc(OC)c(CN)cc2c1 ZINC000675068969 538497511 /nfs/dbraw/zinc/49/75/11/538497511.db2.gz ADCPHEWVHWTGJA-UHFFFAOYSA-N 0 3 232.283 2.019 10 0 BEAEHN CC(C)CCc1nc2c(s1)CNCC2 ZINC000053335710 356667955 /nfs/dbraw/zinc/66/79/55/356667955.db2.gz XXVPYGFJPVKMCQ-UHFFFAOYSA-N 0 3 210.346 2.377 10 0 BEAEHN CCn1ncc2c1[C@@H]1CCCC[C@@H]1NC2 ZINC000675081780 538522517 /nfs/dbraw/zinc/52/25/17/538522517.db2.gz LLQSTTIFLIUZLA-MNOVXSKESA-N 0 3 205.305 2.032 10 0 BEAEHN CCOC(=O)c1nc([C@H]2CCCN2)sc1C ZINC000166503055 538727494 /nfs/dbraw/zinc/72/74/94/538727494.db2.gz MFOQNOWMRDBMBF-MRVPVSSYSA-N 0 3 240.328 2.053 10 0 BEAEHN CCN(Cc1ccccn1)C[C@](C)(O)CC ZINC000119427707 357024124 /nfs/dbraw/zinc/02/41/24/357024124.db2.gz BHONMCZYFKRTOF-CYBMUJFWSA-N 0 3 222.332 2.065 10 0 BEAEHN N[C@H]1c2cc(Cl)ccc2CCC[C@H]1O ZINC000039941514 491110691 /nfs/dbraw/zinc/11/06/91/491110691.db2.gz LTOASGHNLCUQCF-MNOVXSKESA-N 0 3 211.692 2.037 10 0 BEAEHN C[C@H]1CN(C[C@H](O)CC2CCCC2)CCS1 ZINC000188642672 357570378 /nfs/dbraw/zinc/57/03/78/357570378.db2.gz PYPQHCFLHSHMEL-WCQYABFASA-N 0 3 243.416 2.365 10 0 BEAEHN C[C@@H](N)c1cncn1Cc1cccs1 ZINC000130107012 357518158 /nfs/dbraw/zinc/51/81/58/357518158.db2.gz GJSLAECBGNOOBE-MRVPVSSYSA-N 0 3 207.302 2.013 10 0 BEAEHN CC[C@H](C)CC(=O)N(C)C[C@@H]1CCCN1CC ZINC000188705367 357565262 /nfs/dbraw/zinc/56/52/62/357565262.db2.gz GIVIFJVZDPMCTR-STQMWFEESA-N 0 3 240.391 2.365 10 0 BEAEHN Cc1c(CNC2CC2)ccc2c1OCCO2 ZINC000685947124 538888630 /nfs/dbraw/zinc/88/86/30/538888630.db2.gz JGRPMPAEXCUONW-UHFFFAOYSA-N 0 3 219.284 2.018 10 0 BEAEHN C[C@H]1CN(C[C@@H](O)CC2CCCC2)CCS1 ZINC000232145557 357652934 /nfs/dbraw/zinc/65/29/34/357652934.db2.gz PYPQHCFLHSHMEL-AAEUAGOBSA-N 0 3 243.416 2.365 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2NCCC(C)C ZINC000190785741 357731025 /nfs/dbraw/zinc/73/10/25/357731025.db2.gz ZEVHOEUKGVIAMB-NSHDSACASA-N 0 3 236.363 2.311 10 0 BEAEHN Cn1c(CN[C@H]2CCCC2(C)C)nnc1C1CC1 ZINC000191303901 357765432 /nfs/dbraw/zinc/76/54/32/357765432.db2.gz VXNPTHJWTLBIMS-NSHDSACASA-N 0 3 248.374 2.361 10 0 BEAEHN C[C@H](C1CCC1)N(Cc1ccccc1)C(=O)CN ZINC000584590850 358248833 /nfs/dbraw/zinc/24/88/33/358248833.db2.gz BPJYLYGQJSOGLV-GFCCVEGCSA-N 0 3 246.354 2.163 10 0 BEAEHN COC(=O)c1ccc([C@@H]2CCCCN2)cc1F ZINC000584597196 358254453 /nfs/dbraw/zinc/25/44/53/358254453.db2.gz KHGWMCHBTVWSTF-LBPRGKRZSA-N 0 3 237.274 2.427 10 0 BEAEHN O=C(N[C@@H]1CCCCN1)OCc1ccccc1 ZINC000584627076 358296644 /nfs/dbraw/zinc/29/66/44/358296644.db2.gz GBXBJHOAWMQCSY-GFCCVEGCSA-N 0 3 234.299 2.012 10 0 BEAEHN C[C@H]1CNCc2c(-c3ccc(F)cc3)cnn21 ZINC000584648825 358303576 /nfs/dbraw/zinc/30/35/76/358303576.db2.gz UKGXSEFKWZSIBF-VIFPVBQESA-N 0 3 231.274 2.353 10 0 BEAEHN CO[C@H](C)[C@@H](C)N[C@@H](CO)c1sccc1C ZINC000130457782 358626718 /nfs/dbraw/zinc/62/67/18/358626718.db2.gz RBMZQQWPQHKDCD-MXWKQRLJSA-N 0 3 243.372 2.103 10 0 BEAEHN CC(C)[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000130873689 358650688 /nfs/dbraw/zinc/65/06/88/358650688.db2.gz GVEROQBXUHZDIB-GHMZBOCLSA-N 0 3 236.363 2.310 10 0 BEAEHN COCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052011959 358771046 /nfs/dbraw/zinc/77/10/46/358771046.db2.gz GBCFZEXAEYEURJ-CQSZACIVSA-N 0 3 237.318 2.479 10 0 BEAEHN Cc1ccc(O)c(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000133562825 358758630 /nfs/dbraw/zinc/75/86/30/358758630.db2.gz JBFRPPZUOYPAJI-CQSZACIVSA-N 0 3 248.326 2.171 10 0 BEAEHN CCc1ccc(CN[C@@H](C)[C@@H]2CCCO2)o1 ZINC000051721976 358760351 /nfs/dbraw/zinc/76/03/51/358760351.db2.gz COWNTULAOAGMEN-GWCFXTLKSA-N 0 3 223.316 2.499 10 0 BEAEHN CC(C)[C@H](N[C@H]1CCCNC1=O)c1ccccc1 ZINC000050395350 358726571 /nfs/dbraw/zinc/72/65/71/358726571.db2.gz JZPXWTBERVMVTH-KBPBESRZSA-N 0 3 246.354 2.252 10 0 BEAEHN CC[C@@H]1CCCCCN1Cc1nccc(N)n1 ZINC000135094614 358820075 /nfs/dbraw/zinc/82/00/75/358820075.db2.gz UTDKWAYZYCYNLD-LLVKDONJSA-N 0 3 234.347 2.213 10 0 BEAEHN COc1cccc(F)c1[C@H](C)NCC[C@H](C)O ZINC000135146215 358822241 /nfs/dbraw/zinc/82/22/41/358822241.db2.gz VIAAQOOLMWWWGB-UWVGGRQHSA-N 0 3 241.306 2.256 10 0 BEAEHN CC(C)[C@H](N[C@@H]1CCOC1)c1cccnc1 ZINC000134009431 358775254 /nfs/dbraw/zinc/77/52/54/358775254.db2.gz FFCZFQDSZXFOMA-OLZOCXBDSA-N 0 3 220.316 2.157 10 0 BEAEHN CCOC[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000133991563 358775356 /nfs/dbraw/zinc/77/53/56/358775356.db2.gz KMTKUWKINMGDLA-VHSXEESVSA-N 0 3 226.295 2.296 10 0 BEAEHN CC(C)[C@@H](N[C@@H]1CCOC1)c1cccnc1 ZINC000134009630 358775636 /nfs/dbraw/zinc/77/56/36/358775636.db2.gz FFCZFQDSZXFOMA-CHWSQXEVSA-N 0 3 220.316 2.157 10 0 BEAEHN C[C@@H]1CSC(N[C@@H]2CCSC2)=N[C@H]1C ZINC000299968623 358958328 /nfs/dbraw/zinc/95/83/28/358958328.db2.gz OAGCPNKXBCYSLR-HRDYMLBCSA-N 0 3 230.402 2.209 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cnccn1 ZINC000247146793 359198453 /nfs/dbraw/zinc/19/84/53/359198453.db2.gz RFAWCFZPEGSXOY-SFTQSGBHSA-N 0 3 247.342 2.085 10 0 BEAEHN CCN1CC[C@H](Nc2cccc(Cl)n2)C1 ZINC000306204274 359294433 /nfs/dbraw/zinc/29/44/33/359294433.db2.gz NDRHWMDDIBHLPN-VIFPVBQESA-N 0 3 225.723 2.241 10 0 BEAEHN N[C@@H](CC1OCCO1)c1ccsc1Cl ZINC000306210960 359304645 /nfs/dbraw/zinc/30/46/45/359304645.db2.gz UIHFBZUKVJOVBS-ZETCQYMHSA-N 0 3 233.720 2.164 10 0 BEAEHN C[C@@H]1CN(CCCCO)[C@H]1c1ccccc1 ZINC000248339486 359265757 /nfs/dbraw/zinc/26/57/57/359265757.db2.gz IEPRMVLFPRAKJU-TZMCWYRMSA-N 0 3 219.328 2.452 10 0 BEAEHN C[C@H](N)[C@@](C)(F)c1cc(F)ccc1F ZINC000306214618 359316923 /nfs/dbraw/zinc/31/69/23/359316923.db2.gz ZLHINMDBGWNWOQ-QUBYGPBYSA-N 0 3 203.207 2.497 10 0 BEAEHN C[C@@H](N)[C@](C)(F)c1cc(F)ccc1F ZINC000306214616 359317131 /nfs/dbraw/zinc/31/71/31/359317131.db2.gz ZLHINMDBGWNWOQ-LDWIPMOCSA-N 0 3 203.207 2.497 10 0 BEAEHN C[C@H]1OCC[C@H]1NCC1(F)CCCC1 ZINC000306232634 359389308 /nfs/dbraw/zinc/38/93/08/359389308.db2.gz DUILJOBAVPRAGE-NXEZZACHSA-N 0 3 201.285 2.036 10 0 BEAEHN COC[C@](C)(N)c1cc(C)ccc1Cl ZINC000306236345 359394899 /nfs/dbraw/zinc/39/48/99/359394899.db2.gz KUOLLHCJHWCOPH-NSHDSACASA-N 0 3 213.708 2.469 10 0 BEAEHN c1ccc2c(c1)C[C@@H](CN1CCC1)S2 ZINC000306249815 359450169 /nfs/dbraw/zinc/45/01/69/359450169.db2.gz RDYTXTBEVKLURL-NSHDSACASA-N 0 3 205.326 2.409 10 0 BEAEHN Cc1ccnc(C(C)(C)N)c1Br ZINC000306304778 359587715 /nfs/dbraw/zinc/58/77/15/359587715.db2.gz CEKKQZQLXZFPOS-UHFFFAOYSA-N 0 3 229.121 2.346 10 0 BEAEHN CNCc1nc(-c2sccc2C)c[nH]1 ZINC000069636674 359688148 /nfs/dbraw/zinc/68/81/48/359688148.db2.gz XWSMILHEZJNMBD-UHFFFAOYSA-N 0 3 207.302 2.166 10 0 BEAEHN N[C@@H](c1ncncc1Br)C1CCC1 ZINC000306409698 359799755 /nfs/dbraw/zinc/79/97/55/359799755.db2.gz PQBCNBODOZFCDS-MRVPVSSYSA-N 0 3 242.120 2.039 10 0 BEAEHN CC(C)[C@@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000087616901 359921079 /nfs/dbraw/zinc/92/10/79/359921079.db2.gz DYCKFETVYLPGLX-RISCZKNCSA-N 0 3 246.354 2.034 10 0 BEAEHN C[C@@H](CC(F)F)Nc1cccc(N)n1 ZINC000306471559 360096750 /nfs/dbraw/zinc/09/67/50/360096750.db2.gz SBVKENMQQQBKQS-LURJTMIESA-N 0 3 201.220 2.119 10 0 BEAEHN CO[C@H](CN)c1cscc1Br ZINC000306459531 360057064 /nfs/dbraw/zinc/05/70/64/360057064.db2.gz GXTLSSDRKLXVRD-SSDOTTSWSA-N 0 3 236.134 2.157 10 0 BEAEHN Cc1oncc1[C@H](C)N[C@H]1CCSC1 ZINC000306476098 360110527 /nfs/dbraw/zinc/11/05/27/360110527.db2.gz XPFYGTRLNZHICX-CBAPKCEASA-N 0 3 212.318 2.139 10 0 BEAEHN CC(C)C[C@@H]1CCN([C@@H]2CCCC2=O)C1 ZINC000306478356 360125913 /nfs/dbraw/zinc/12/59/13/360125913.db2.gz CWSYROWYSFQCAM-NWDGAFQWSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@H]1CCN(Cc2cc[nH]c2)C[C@@H]1n1ccnc1 ZINC000091960649 360138329 /nfs/dbraw/zinc/13/83/29/360138329.db2.gz NDKNSLMEBJESOY-JSGCOSHPSA-N 0 3 244.342 2.294 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccc(F)cn1 ZINC000092196584 360155895 /nfs/dbraw/zinc/15/58/95/360155895.db2.gz FXGJJSAMNALPFM-AUTRQRHGSA-N 0 3 224.279 2.049 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2NC[C@@H](C)CC ZINC000093081593 360214877 /nfs/dbraw/zinc/21/48/77/360214877.db2.gz FHTFJOLUDPLPGR-QWRGUYRKSA-N 0 3 236.363 2.311 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cn(C)nc1C(C)(C)C ZINC000093963512 360292117 /nfs/dbraw/zinc/29/21/17/360292117.db2.gz CWDLLPFZFAAFOV-KOLCDFICSA-N 0 3 221.348 2.216 10 0 BEAEHN CC(C)(C)OC(=O)NC1CCC(F)(CN)CC1 ZINC000306519253 360343640 /nfs/dbraw/zinc/34/36/40/360343640.db2.gz IUTGHIYWGZQESN-UHFFFAOYSA-N 0 3 246.326 2.121 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccon1 ZINC000094512584 360309889 /nfs/dbraw/zinc/30/98/89/360309889.db2.gz JDBBDSNCBMWHMA-ZIAGYGMSSA-N 0 3 249.358 2.123 10 0 BEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1ccon1 ZINC000094512585 360310415 /nfs/dbraw/zinc/31/04/15/360310415.db2.gz JDBBDSNCBMWHMA-UONOGXRCSA-N 0 3 249.358 2.123 10 0 BEAEHN CCN1C[C@@H](C)[C@H](NCc2ccoc2C)C1 ZINC000309460672 491148637 /nfs/dbraw/zinc/14/86/37/491148637.db2.gz NVDUCKIMHIWKSY-ZWNOBZJWSA-N 0 3 222.332 2.018 10 0 BEAEHN C[C@@H](N)c1cncn1[C@@H](C)C(C)(F)F ZINC000306521582 360359423 /nfs/dbraw/zinc/35/94/23/360359423.db2.gz NHVYLSSMWSVWLY-RQJHMYQMSA-N 0 3 203.236 2.119 10 0 BEAEHN C[C@H]1CCN(CC(=O)C(C)(C)C)CCS1 ZINC000306553197 360426376 /nfs/dbraw/zinc/42/63/76/360426376.db2.gz KXXUQSZSTRGXBN-JTQLQIEISA-N 0 3 229.389 2.429 10 0 BEAEHN CC1(C)[C@H](N)[C@H]1c1occc1Br ZINC000300783129 360502627 /nfs/dbraw/zinc/50/26/27/360502627.db2.gz VSBLRHNQQWOQKM-HTRCEHHLSA-N 0 3 230.105 2.493 10 0 BEAEHN CC[C@H](OC)[C@H]1NCCc2sccc21 ZINC000306592275 360510287 /nfs/dbraw/zinc/51/02/87/360510287.db2.gz ZLKNDBSXPACHHP-ONGXEEELSA-N 0 3 211.330 2.360 10 0 BEAEHN NC(=S)CCCN1CCc2ccccc2C1 ZINC000019426080 181314942 /nfs/dbraw/zinc/31/49/42/181314942.db2.gz VINBKNKTWKJYNE-UHFFFAOYSA-N 0 3 234.368 2.111 10 0 BEAEHN NC1(C(=O)N2C[C@@H]3CCCCC[C@H]32)CCCC1 ZINC000368396563 181324578 /nfs/dbraw/zinc/32/45/78/181324578.db2.gz DTQZMGPBTWRYNC-NWDGAFQWSA-N 0 3 236.359 2.049 10 0 BEAEHN N[C@@H](CC(F)(F)F)c1ccc(F)cn1 ZINC000238630397 361167715 /nfs/dbraw/zinc/16/77/15/361167715.db2.gz ISUJAWCIRHRXGO-LURJTMIESA-N 0 3 208.158 2.173 10 0 BEAEHN CC1CC(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000578998171 366690807 /nfs/dbraw/zinc/69/08/07/366690807.db2.gz NPTBANMPGBILKN-UHFFFAOYSA-N 0 3 244.338 2.317 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000579007306 366694635 /nfs/dbraw/zinc/69/46/35/366694635.db2.gz ZESHMTXQZRBTGT-WDEREUQCSA-N 0 3 207.321 2.305 10 0 BEAEHN C[C@@H](NCC1(O)CCCC1)c1cncs1 ZINC000133628135 491158476 /nfs/dbraw/zinc/15/84/76/491158476.db2.gz OOKCACXOAFMLGL-SECBINFHSA-N 0 3 226.345 2.099 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N(CC)Cc1ccoc1 ZINC000629601232 361492179 /nfs/dbraw/zinc/49/21/79/361492179.db2.gz HZDYXVSRKGUTBG-CMPLNLGQSA-N 0 3 238.331 2.002 10 0 BEAEHN N=C1N[C@@H](c2cccnc2)Cc2ccsc21 ZINC000025979325 181339537 /nfs/dbraw/zinc/33/95/37/181339537.db2.gz DQFBGLAGAZYBJX-SNVBAGLBSA-N 0 3 229.308 2.146 10 0 BEAEHN CCNC(=N)c1ccc(Br)s1 ZINC000070598083 361581591 /nfs/dbraw/zinc/58/15/91/361581591.db2.gz WNCMOHJJHPHLPK-UHFFFAOYSA-N 0 3 233.134 2.445 10 0 BEAEHN CCn1cc(-c2csc(CN)c2)cn1 ZINC000070601110 361587648 /nfs/dbraw/zinc/58/76/48/361587648.db2.gz MGENNVDWZUZFIP-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN C[C@H](NC(=O)C1(N)CCCC1)c1cccs1 ZINC000037479493 364062116 /nfs/dbraw/zinc/06/21/16/364062116.db2.gz CBPGWBZBADTPNO-VIFPVBQESA-N 0 3 238.356 2.197 10 0 BEAEHN CN[C@@H]1COc2c1ccc(Cl)c2F ZINC000130682287 364088020 /nfs/dbraw/zinc/08/80/20/364088020.db2.gz BCMQCTFHDQCAKT-SSDOTTSWSA-N 0 3 201.628 2.132 10 0 BEAEHN Cc1cccc([C@H](CN)C(=O)OC(C)(C)C)c1 ZINC000725264367 541337619 /nfs/dbraw/zinc/33/76/19/541337619.db2.gz IZYHMOXBDMRFMP-LBPRGKRZSA-N 0 3 235.327 2.379 10 0 BEAEHN C[C@@H]1Oc2c(ccc(Cl)c2F)[C@H]1N ZINC000130685013 364416001 /nfs/dbraw/zinc/41/60/01/364416001.db2.gz HLKMBBLZLVGROU-NVNXEXLPSA-N 0 3 201.628 2.260 10 0 BEAEHN Cc1cc(-c2ccc(CN)c(F)n2)sn1 ZINC000669384845 541438370 /nfs/dbraw/zinc/43/83/70/541438370.db2.gz JGYVDWILFNVILA-UHFFFAOYSA-N 0 3 223.276 2.111 10 0 BEAEHN OC1CC(CN[C@H]2CCCc3occc32)C1 ZINC000169216785 365098866 /nfs/dbraw/zinc/09/88/66/365098866.db2.gz MGEHNEPRKWYHBS-CBINBANVSA-N 0 3 221.300 2.018 10 0 BEAEHN C[C@@H]1C[C@@H](O)CN(Cc2ccccc2F)C1 ZINC000334748832 365246751 /nfs/dbraw/zinc/24/67/51/365246751.db2.gz ZZKZLSCZTNEIGX-ZYHUDNBSSA-N 0 3 223.291 2.028 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nnc(C2CCC2)[nH]1 ZINC000675060561 541463841 /nfs/dbraw/zinc/46/38/41/541463841.db2.gz IZHSMQHCNSEJSC-IONNQARKSA-N 0 3 208.309 2.118 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1n[nH]c(C2CCC2)n1 ZINC000675060561 541463845 /nfs/dbraw/zinc/46/38/45/541463845.db2.gz IZHSMQHCNSEJSC-IONNQARKSA-N 0 3 208.309 2.118 10 0 BEAEHN CCC[C@@H](N)C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000399512322 368171218 /nfs/dbraw/zinc/17/12/18/368171218.db2.gz LUJJCIBBFTXKJK-WDEREUQCSA-N 0 3 228.380 2.254 10 0 BEAEHN CCC[C@@H](C(=O)NCC1(CCC)CC1)N(C)C ZINC000154605810 326152879 /nfs/dbraw/zinc/15/28/79/326152879.db2.gz DFEPSKYRWDLDCQ-LBPRGKRZSA-N 0 3 240.391 2.413 10 0 BEAEHN COc1ccc2c(c1)[C@@H](N)CC(C)(C)C2=O ZINC000114854650 368955336 /nfs/dbraw/zinc/95/53/36/368955336.db2.gz OUESEJKQHNDBKF-NSHDSACASA-N 0 3 219.284 2.308 10 0 BEAEHN COC(=O)C(C=O)c1cccc(C(F)(F)F)c1 ZINC000116071107 369019579 /nfs/dbraw/zinc/01/95/79/369019579.db2.gz UAVIRBQKHOZBIG-VIFPVBQESA-N 0 3 246.184 2.161 10 0 BEAEHN C[C@@H]1C[C@@](O)(c2cccs2)CCN1C ZINC000107151971 369310347 /nfs/dbraw/zinc/31/03/47/369310347.db2.gz XBHAEMOWEVBSCR-MWLCHTKSSA-N 0 3 211.330 2.050 10 0 BEAEHN C[C@H]1C[C@](O)(c2cccs2)CCN1C ZINC000107151968 369310486 /nfs/dbraw/zinc/31/04/86/369310486.db2.gz XBHAEMOWEVBSCR-ONGXEEELSA-N 0 3 211.330 2.050 10 0 BEAEHN CS[C@@H]1CC[C@H]1NCc1ccccn1 ZINC000308716570 370152139 /nfs/dbraw/zinc/15/21/39/370152139.db2.gz BPLYKXJBPZSAFL-GHMZBOCLSA-N 0 3 208.330 2.065 10 0 BEAEHN CS[C@H]1CC[C@@H]1NCc1ccccn1 ZINC000308716585 370152195 /nfs/dbraw/zinc/15/21/95/370152195.db2.gz BPLYKXJBPZSAFL-QWRGUYRKSA-N 0 3 208.330 2.065 10 0 BEAEHN CS[C@H]1CC[C@H]1NCc1ccccn1 ZINC000308716578 370152281 /nfs/dbraw/zinc/15/22/81/370152281.db2.gz BPLYKXJBPZSAFL-MNOVXSKESA-N 0 3 208.330 2.065 10 0 BEAEHN Cc1nccnc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000621368685 370303482 /nfs/dbraw/zinc/30/34/82/370303482.db2.gz ZQSRECLZMJMNCP-QJPTWQEYSA-N 0 3 217.316 2.063 10 0 BEAEHN C[C@H](N)c1csc(-c2nccs2)n1 ZINC000161603195 370569607 /nfs/dbraw/zinc/56/96/07/370569607.db2.gz LBXSGNPTCKKULZ-YFKPBYRVSA-N 0 3 211.315 2.286 10 0 BEAEHN CC(C)c1ccc(CN[C@H]2CCOC[C@@H]2O)cc1 ZINC000623763779 371086668 /nfs/dbraw/zinc/08/66/68/371086668.db2.gz OYIUJBPHHQTZIP-GJZGRUSLSA-N 0 3 249.354 2.049 10 0 BEAEHN N[C@@H](Cc1cccs1)c1cccnc1 ZINC000038128692 181558738 /nfs/dbraw/zinc/55/87/38/181558738.db2.gz DHNQNNPMJGABNI-NSHDSACASA-N 0 3 204.298 2.386 10 0 BEAEHN N[C@@H](c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000034939669 181563977 /nfs/dbraw/zinc/56/39/77/181563977.db2.gz LHFSWWSCRXMSHM-KGLIPLIRSA-N 0 3 217.312 2.354 10 0 BEAEHN N[C@@H](c1ccccc1)c1cncc(F)c1 ZINC000049576225 181566319 /nfs/dbraw/zinc/56/63/19/181566319.db2.gz FLZYENYGBIACPO-LBPRGKRZSA-N 0 3 202.232 2.269 10 0 BEAEHN CN1CCC(Oc2ccc(N)cc2Cl)CC1 ZINC000020351977 371269508 /nfs/dbraw/zinc/26/95/08/371269508.db2.gz JRLFGXKFOQXSBO-UHFFFAOYSA-N 0 3 240.734 2.395 10 0 BEAEHN N[C@H](c1ccoc1)c1ccc2c(c1)CCC(=O)N2 ZINC000035081521 181635392 /nfs/dbraw/zinc/63/53/92/181635392.db2.gz SAYTWQADNVSEFH-AWEZNQCLSA-N 0 3 242.278 2.212 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1cc(F)ccc1C ZINC000216019968 371679340 /nfs/dbraw/zinc/67/93/40/371679340.db2.gz QRBGELUBYOETRN-LLVKDONJSA-N 0 3 225.263 2.087 10 0 BEAEHN C[C@H](N)c1cnc(N2CCC[C@@H]2C)s1 ZINC000226646310 371714869 /nfs/dbraw/zinc/71/48/69/371714869.db2.gz FIQHMERAQBIHLL-YUMQZZPRSA-N 0 3 211.334 2.152 10 0 BEAEHN NCc1c(Br)sc2c1CCOC2 ZINC000132818267 371928527 /nfs/dbraw/zinc/92/85/27/371928527.db2.gz GTXSSQVBRSKTFI-UHFFFAOYSA-N 0 3 248.145 2.042 10 0 BEAEHN C[C@@H]1C[C@@]1(N)c1ccc(Br)cn1 ZINC000133348136 372028039 /nfs/dbraw/zinc/02/80/39/372028039.db2.gz RCXAGVMYYZARSM-MUWHJKNJSA-N 0 3 227.105 2.038 10 0 BEAEHN CC(C)NC(=N)c1ccc(Br)cn1 ZINC000133375870 372034060 /nfs/dbraw/zinc/03/40/60/372034060.db2.gz ZXHPSXLPVZWSPA-UHFFFAOYSA-N 0 3 242.120 2.167 10 0 BEAEHN N[C@H](c1cnsc1)[C@@H]1CCCS1 ZINC000405010331 372129838 /nfs/dbraw/zinc/12/98/38/372129838.db2.gz OEYKLQBCWHFRRW-JGVFFNPUSA-N 0 3 200.332 2.039 10 0 BEAEHN Cc1cccc(NC2=NCCN2)c1Cl ZINC000038676145 372739143 /nfs/dbraw/zinc/73/91/43/372739143.db2.gz BFGSSXYIVHXPCN-UHFFFAOYSA-N 0 3 209.680 2.020 10 0 BEAEHN CCOc1ccccc1CN[C@H]1CCCN(C)C1 ZINC000040671691 373589405 /nfs/dbraw/zinc/58/94/05/373589405.db2.gz XIVDXBMBBYYPIV-AWEZNQCLSA-N 0 3 248.370 2.269 10 0 BEAEHN C[C@H]1C[C@H]1NCc1ccc(Br)cn1 ZINC000069938799 374081525 /nfs/dbraw/zinc/08/15/25/374081525.db2.gz OAULTFZNJXCAPY-OIBJUYFYSA-N 0 3 241.132 2.342 10 0 BEAEHN CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000041289816 374125182 /nfs/dbraw/zinc/12/51/82/374125182.db2.gz YJYKVNGIWFBNNB-SNVBAGLBSA-N 0 3 244.132 2.044 10 0 BEAEHN CCCCS(=O)(=O)C[C@H](N)C1CCCCC1 ZINC000075418116 168923214 /nfs/dbraw/zinc/92/32/14/168923214.db2.gz VEQHLHLKEWEMJA-LBPRGKRZSA-N 0 3 247.404 2.109 10 0 BEAEHN OCC[C@H](NC1CC1)c1nccc2ccccc21 ZINC000095078780 183096683 /nfs/dbraw/zinc/09/66/83/183096683.db2.gz CAXATLMYAYWTEM-AWEZNQCLSA-N 0 3 242.322 2.410 10 0 BEAEHN OCC[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000310027919 183095405 /nfs/dbraw/zinc/09/54/05/183095405.db2.gz ISGCDDSHIHSREW-QZDDGCDVSA-N 0 3 231.339 2.404 10 0 BEAEHN OCC[C@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000310027916 183099322 /nfs/dbraw/zinc/09/93/22/183099322.db2.gz ISGCDDSHIHSREW-IJVDHGTGSA-N 0 3 231.339 2.404 10 0 BEAEHN OC[C@@]1(NC2CCCC2)CCOc2ccccc21 ZINC000038122635 183133459 /nfs/dbraw/zinc/13/34/59/183133459.db2.gz APVOKIGZABYWQK-HNNXBMFYSA-N 0 3 247.338 2.189 10 0 BEAEHN OC[C@@]1(NCc2cccs2)CCCSC1 ZINC000061590907 183134802 /nfs/dbraw/zinc/13/48/02/183134802.db2.gz IBSGDNXNQHJYFY-NSHDSACASA-N 0 3 243.397 2.096 10 0 BEAEHN CCCCc1ccc(N2CC[C@H](N)C2=O)cc1 ZINC000049648135 169020710 /nfs/dbraw/zinc/02/07/10/169020710.db2.gz MZUUDOMRRXRDPB-ZDUSSCGKSA-N 0 3 232.327 2.093 10 0 BEAEHN OC[C@H](NC1CC1)c1ccc(F)c(Cl)c1 ZINC000083264189 183138274 /nfs/dbraw/zinc/13/82/74/183138274.db2.gz MCEGQYMDLMYNNC-NSHDSACASA-N 0 3 229.682 2.265 10 0 BEAEHN OC[C@H]1CCCCN(Cc2cccc(F)c2)C1 ZINC000374052563 183147468 /nfs/dbraw/zinc/14/74/68/183147468.db2.gz VQWGKOFUQSAILT-ZDUSSCGKSA-N 0 3 237.318 2.420 10 0 BEAEHN OCc1cc(N2Cc3ccccc3C2)ccn1 ZINC000050911866 183161454 /nfs/dbraw/zinc/16/14/54/183161454.db2.gz RCXINPFVAQBUGT-UHFFFAOYSA-N 0 3 226.279 2.094 10 0 BEAEHN O[C@@H]1CCC[C@H]1CNCc1cc(F)cc(F)c1 ZINC000125655343 183196800 /nfs/dbraw/zinc/19/68/00/183196800.db2.gz SZUAFLVEZHZUAG-GXFFZTMASA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1F ZINC000052013724 183189205 /nfs/dbraw/zinc/18/92/05/183189205.db2.gz GGRWQDJZQHCGBG-NWDGAFQWSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1cc(F)cc(F)c1 ZINC000125645860 183189501 /nfs/dbraw/zinc/18/95/01/183189501.db2.gz IOCVGJKAJIXVFB-QWHCGFSZSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1cc(F)ccc1F ZINC000089165492 183195585 /nfs/dbraw/zinc/19/55/85/183195585.db2.gz ZGFDPMCKXBVAGW-NOZJJQNGSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@@H]1CCC[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000053156276 183195687 /nfs/dbraw/zinc/19/56/87/183195687.db2.gz UBRVCRMVURPOKE-NWDGAFQWSA-N 0 3 243.709 2.482 10 0 BEAEHN O[C@H]1CCCCC[C@@H]1NCc1ccco1 ZINC000037882857 183231970 /nfs/dbraw/zinc/23/19/70/183231970.db2.gz OKDIDOCYEGKMSY-RYUDHWBXSA-N 0 3 209.289 2.063 10 0 BEAEHN CCCN(C)[C@H](CN)c1ccccc1OC ZINC000020225777 169088270 /nfs/dbraw/zinc/08/82/70/169088270.db2.gz INCSWTVDXOQLSH-GFCCVEGCSA-N 0 3 222.332 2.037 10 0 BEAEHN CCCN(CC(F)(F)F)c1ncccc1CN ZINC000042736298 169107507 /nfs/dbraw/zinc/10/75/07/169107507.db2.gz YNCPAFLKLNRKBB-UHFFFAOYSA-N 0 3 247.264 2.319 10 0 BEAEHN Oc1ccc2[nH]c([C@H]3CCCCN3)nc2c1 ZINC000076006752 183279082 /nfs/dbraw/zinc/27/90/82/183279082.db2.gz GYEOYAYBTYVAAD-SNVBAGLBSA-N 0 3 217.272 2.083 10 0 BEAEHN CCCN1CCC=C(c2cnc(N)s2)C1 ZINC000026938195 169190907 /nfs/dbraw/zinc/19/09/07/169190907.db2.gz QLUDFKATEBUGML-UHFFFAOYSA-N 0 3 223.345 2.224 10 0 BEAEHN c1c[nH]c(CNCc2ccc3c(c2)OCO3)c1 ZINC000048408640 183326014 /nfs/dbraw/zinc/32/60/14/183326014.db2.gz SDPIABBWWRIIGB-UHFFFAOYSA-N 0 3 230.267 2.033 10 0 BEAEHN c1cc(C2CN(C3CCCCC3)C2)n[nH]1 ZINC000072381188 183336845 /nfs/dbraw/zinc/33/68/45/183336845.db2.gz BDVUDRSFAWRZJO-UHFFFAOYSA-N 0 3 205.305 2.142 10 0 BEAEHN CCCNC(=O)CNC1CC(c2ccccc2)C1 ZINC000036840638 169226600 /nfs/dbraw/zinc/22/66/00/169226600.db2.gz QKUXUHSFHULMPU-UHFFFAOYSA-N 0 3 246.354 2.048 10 0 BEAEHN c1cc(CNC2CC2)cc(N2C[C@H]3CC[C@@H]2C3)n1 ZINC000051489070 183347835 /nfs/dbraw/zinc/34/78/35/183347835.db2.gz XSJCRCUMVHHEEK-GXTWGEPZSA-N 0 3 243.354 2.322 10 0 BEAEHN CCCN1CCc2nc([C@@H](N)CC)sc2C1 ZINC000041059231 169208982 /nfs/dbraw/zinc/20/89/82/169208982.db2.gz PZRXRJIIIICFPN-VIFPVBQESA-N 0 3 239.388 2.321 10 0 BEAEHN c1ccc(-c2ccc(C3=NCCN3)cn2)cc1 ZINC000035033808 183379509 /nfs/dbraw/zinc/37/95/09/183379509.db2.gz LBNBZBDFWZOJRY-UHFFFAOYSA-N 0 3 223.279 2.098 10 0 BEAEHN CCCNCc1cccc(Br)n1 ZINC000083356458 169267797 /nfs/dbraw/zinc/26/77/97/169267797.db2.gz FPVLMWDMJBQLNQ-UHFFFAOYSA-N 0 3 229.121 2.344 10 0 BEAEHN CCCNCc1cnc(-c2cccc(C)n2)nc1 ZINC000104160886 169268829 /nfs/dbraw/zinc/26/88/29/169268829.db2.gz OXBFNZAYBCKJBG-UHFFFAOYSA-N 0 3 242.326 2.347 10 0 BEAEHN CCCNCc1nc(C)c(C)n1CCC ZINC000045205798 169269028 /nfs/dbraw/zinc/26/90/28/169269028.db2.gz USTBGZKVEWCWHB-UHFFFAOYSA-N 0 3 209.337 2.410 10 0 BEAEHN CCCNCc1sc(C)nc1COC ZINC000082441251 169269734 /nfs/dbraw/zinc/26/97/34/169269734.db2.gz GBNSAEKLYFBBES-UHFFFAOYSA-N 0 3 214.334 2.098 10 0 BEAEHN CCCN[C@@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037870249 169273057 /nfs/dbraw/zinc/27/30/57/169273057.db2.gz FEZGMXZKBYQIHZ-CYBMUJFWSA-N 0 3 234.343 2.336 10 0 BEAEHN CCCN[C@@H](C)c1csc(CCOC)n1 ZINC000070841779 169277308 /nfs/dbraw/zinc/27/73/08/169277308.db2.gz PCXSHPQLXXKFGO-VIFPVBQESA-N 0 3 228.361 2.393 10 0 BEAEHN CCCOC[C@@H](N)c1cc(OC)ccc1OC ZINC000037025107 169310253 /nfs/dbraw/zinc/31/02/53/169310253.db2.gz DISKRYBVYAHHHD-GFCCVEGCSA-N 0 3 239.315 2.130 10 0 BEAEHN CCCOc1cc2c(cc1CNCC)OCO2 ZINC000042874449 169315651 /nfs/dbraw/zinc/31/56/51/169315651.db2.gz CLICUUJLJVYENU-UHFFFAOYSA-N 0 3 237.299 2.314 10 0 BEAEHN c1ccc([C@H]2C[C@@H]2CNCc2cncnc2)cc1 ZINC000111398089 183432929 /nfs/dbraw/zinc/43/29/29/183432929.db2.gz ZSZVMZQTAYZGRI-HUUCEWRRSA-N 0 3 239.322 2.370 10 0 BEAEHN CCCN[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647880 169291680 /nfs/dbraw/zinc/29/16/80/169291680.db2.gz VKLWRWWAUWSXFV-AWEZNQCLSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCOc1cccc2c1O[C@H](C)[C@@H]2N ZINC000043635041 169326597 /nfs/dbraw/zinc/32/65/97/169326597.db2.gz VLOVKLORUIHLOS-KCJUWKMLSA-N 0 3 207.273 2.256 10 0 BEAEHN CCCOc1ccccc1CN[C@H](CC)CO ZINC000020924391 169327026 /nfs/dbraw/zinc/32/70/26/169327026.db2.gz CLIGPYGGHLXFOY-CYBMUJFWSA-N 0 3 237.343 2.336 10 0 BEAEHN CCC[C@@H](C(=O)NCCC1=CCCC1)N(C)C ZINC000121418910 169344422 /nfs/dbraw/zinc/34/44/22/169344422.db2.gz HDTLAUTYZPBKCL-ZDUSSCGKSA-N 0 3 238.375 2.333 10 0 BEAEHN CCC[C@@H](N)c1cnc2cccc(C)n21 ZINC000031911328 169393823 /nfs/dbraw/zinc/39/38/23/169393823.db2.gz LYSSSLIWPACKKS-SNVBAGLBSA-N 0 3 203.289 2.443 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnc(C)nc1 ZINC000309186506 169442418 /nfs/dbraw/zinc/44/24/18/169442418.db2.gz OYEPDPUPELZYEN-VXGBXAGGSA-N 0 3 205.305 2.063 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnc([C@H](C)O)s1 ZINC000289746541 169442502 /nfs/dbraw/zinc/44/25/02/169442502.db2.gz PRBVRDURQWBZDJ-IQJOONFLSA-N 0 3 240.372 2.475 10 0 BEAEHN CCC[C@@H]1NCc2sc(N)nc2[C@H]1C ZINC000039109078 169444280 /nfs/dbraw/zinc/44/42/80/169444280.db2.gz ANZGPGIGZNKFSM-BQBZGAKWSA-N 0 3 211.334 2.101 10 0 BEAEHN CCC[C@H](C(=O)NC[C@H]1CC=CCC1)N(C)C ZINC000120644482 169467132 /nfs/dbraw/zinc/46/71/32/169467132.db2.gz LGBMFVNTXRWWHD-QWHCGFSZSA-N 0 3 238.375 2.189 10 0 BEAEHN CCc1ccc([C@H](C)NCCC(=O)OC)cc1 ZINC000036803944 383910478 /nfs/dbraw/zinc/91/04/78/383910478.db2.gz DZDUXJSWTJRXFD-NSHDSACASA-N 0 3 235.327 2.463 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000647251756 383890707 /nfs/dbraw/zinc/89/07/07/383890707.db2.gz JOIKQYKNUIBTNL-QJPTWQEYSA-N 0 3 232.327 2.374 10 0 BEAEHN CC(C)[C@H](C)NCc1cnc([C@H](C)O)s1 ZINC000289313701 383984421 /nfs/dbraw/zinc/98/44/21/383984421.db2.gz SIKGPMIQVWKDIR-IUCAKERBSA-N 0 3 228.361 2.331 10 0 BEAEHN NC[C@@H]1c2ccccc2CCN1CC(F)(F)F ZINC000227722818 134385960 /nfs/dbraw/zinc/38/59/60/134385960.db2.gz NBSOYLSMHOKMHU-LLVKDONJSA-N 0 3 244.260 2.107 10 0 BEAEHN Cc1ccc([C@H](C)NCC(=O)N(C)C)c(C)c1 ZINC000037225375 383961810 /nfs/dbraw/zinc/96/18/10/383961810.db2.gz RVMBWIIARWGWDG-LBPRGKRZSA-N 0 3 234.343 2.042 10 0 BEAEHN CC(C)Cc1ccc([C@@H](C)N[C@@H](C)C(N)=O)cc1 ZINC000038386212 384089044 /nfs/dbraw/zinc/08/90/44/384089044.db2.gz UUZNJWGRKGDDDT-NEPJUHHUSA-N 0 3 248.370 2.410 10 0 BEAEHN Cc1ccc([C@@H](C)NC[C@@H](O)COC(C)C)o1 ZINC000038097641 384069560 /nfs/dbraw/zinc/06/95/60/384069560.db2.gz BALNCZDQMVXALC-VXGBXAGGSA-N 0 3 241.331 2.025 10 0 BEAEHN Cc1ccc(F)c(C(=O)CCN(C)C)c1 ZINC000039105800 384106926 /nfs/dbraw/zinc/10/69/26/384106926.db2.gz QMNOSNYRRNGRQR-UHFFFAOYSA-N 0 3 209.264 2.269 10 0 BEAEHN CC[C@@H](COC)N[C@@H]1COc2ccccc21 ZINC000070624487 384124471 /nfs/dbraw/zinc/12/44/71/384124471.db2.gz XDMUTOJXWQWLJR-CMPLNLGQSA-N 0 3 221.300 2.135 10 0 BEAEHN CC(C)=CCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116312736 384128714 /nfs/dbraw/zinc/12/87/14/384128714.db2.gz WXOKVVOUVKAAFD-GFCCVEGCSA-N 0 3 219.332 2.176 10 0 BEAEHN C[C@@H]1C[C@@H](N[C@@H]2CCOc3ccccc32)CO1 ZINC000401866146 384165469 /nfs/dbraw/zinc/16/54/69/384165469.db2.gz VIIBIVXSHDFTDV-NQBHXWOUSA-N 0 3 233.311 2.277 10 0 BEAEHN CC[C@]1(C)CCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000335976930 384179164 /nfs/dbraw/zinc/17/91/64/384179164.db2.gz XHTLBUGBFUDFSF-ZIAGYGMSSA-N 0 3 238.375 2.167 10 0 BEAEHN Cc1c(CNCCc2cccc(F)c2)cnn1C ZINC000093649409 384258875 /nfs/dbraw/zinc/25/88/75/384258875.db2.gz DXWCPOQPWNLREG-UHFFFAOYSA-N 0 3 247.317 2.200 10 0 BEAEHN N[C@@H]1CCOc2c(F)cc(Cl)cc21 ZINC000075882235 384344696 /nfs/dbraw/zinc/34/46/96/384344696.db2.gz OIVYNUIVZGGTAZ-MRVPVSSYSA-N 0 3 201.628 2.261 10 0 BEAEHN NCc1sccc1Cc1cccnc1 ZINC000157219311 384326137 /nfs/dbraw/zinc/32/61/37/384326137.db2.gz QFNLOWYNSCLQCI-UHFFFAOYSA-N 0 3 204.298 2.193 10 0 BEAEHN CSCCCCCCNCc1nccn1C ZINC000134866906 384395012 /nfs/dbraw/zinc/39/50/12/384395012.db2.gz XDWUOBVFYDYERJ-UHFFFAOYSA-N 0 3 241.404 2.433 10 0 BEAEHN C[C@@H]1OCC[C@H]1NC/C=C/c1ccccc1 ZINC000121146485 384401693 /nfs/dbraw/zinc/40/16/93/384401693.db2.gz APPSUDURCUISPS-BZDIYLISSA-N 0 3 217.312 2.467 10 0 BEAEHN CC(C)C[C@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000121404625 384414942 /nfs/dbraw/zinc/41/49/42/384414942.db2.gz PQRGBCCABJWYAV-ZJUUUORDSA-N 0 3 239.281 2.278 10 0 BEAEHN C[C@@H](O)CCN(C)CCCC(=O)c1ccccc1 ZINC000135577083 384453447 /nfs/dbraw/zinc/45/34/47/384453447.db2.gz MSXNLWIDUBZOQY-CYBMUJFWSA-N 0 3 249.354 2.352 10 0 BEAEHN C[C@@H](CO)N(C)Cc1ccc2ccccc2n1 ZINC000135615368 384457038 /nfs/dbraw/zinc/45/70/38/384457038.db2.gz ABAKYZNVJONGSJ-NSHDSACASA-N 0 3 230.311 2.047 10 0 BEAEHN Cc1ccc(C)c(-c2ccc(=NN)[nH]n2)c1 ZINC000011567892 384459637 /nfs/dbraw/zinc/45/96/37/384459637.db2.gz OPNVGEAYXVBIIU-UHFFFAOYSA-N 0 3 214.272 2.046 10 0 BEAEHN C[C@@H](NCC(=O)NC(C)(C)C)c1ccccc1 ZINC000020035301 384570176 /nfs/dbraw/zinc/57/01/76/384570176.db2.gz IWTLESRMUUTRHX-LLVKDONJSA-N 0 3 234.343 2.252 10 0 BEAEHN Cc1cnn(CCN[C@H](C)c2ccc(C)o2)c1 ZINC000123876578 384590680 /nfs/dbraw/zinc/59/06/80/384590680.db2.gz UNFHUMWSBBECAF-GFCCVEGCSA-N 0 3 233.315 2.444 10 0 BEAEHN Cc1cnn(CCN[C@@H](C)c2cncc(F)c2)c1 ZINC000124135706 384614612 /nfs/dbraw/zinc/61/46/12/384614612.db2.gz QZTQGDQFESPZPR-NSHDSACASA-N 0 3 248.305 2.076 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CCCNC2=O)c(C)c1 ZINC000050394364 384622261 /nfs/dbraw/zinc/62/22/61/384622261.db2.gz GPNSLEIWCOHGAM-JSGCOSHPSA-N 0 3 246.354 2.233 10 0 BEAEHN CCc1ccc([C@H](N)Cn2cccn2)cc1 ZINC000011849731 384623911 /nfs/dbraw/zinc/62/39/11/384623911.db2.gz PZLLQEOJMNVRRB-CYBMUJFWSA-N 0 3 215.300 2.146 10 0 BEAEHN Nc1ccc(Cl)c(OCCN2CCCC2)c1 ZINC000141514812 384674374 /nfs/dbraw/zinc/67/43/74/384674374.db2.gz PYAVUKVYMWKMQK-UHFFFAOYSA-N 0 3 240.734 2.397 10 0 BEAEHN c1nc2n(n1)CCC[C@@H]2NC[C@H]1CC=CCC1 ZINC000124480068 384646086 /nfs/dbraw/zinc/64/60/86/384646086.db2.gz KIDYKOZBJSZDHM-RYUDHWBXSA-N 0 3 232.331 2.059 10 0 BEAEHN CC1(C)[C@H](NCc2ccoc2)[C@H]2CCO[C@@H]21 ZINC000125925923 384758441 /nfs/dbraw/zinc/75/84/41/384758441.db2.gz GASOVSGVUSVZGY-UTUOFQBUSA-N 0 3 221.300 2.183 10 0 BEAEHN C[C@@H](O)CCN[C@H](C)c1ccc(Cl)nc1 ZINC000126853684 384815575 /nfs/dbraw/zinc/81/55/75/384815575.db2.gz ZLUOFANBVYAOHK-RKDXNWHRSA-N 0 3 228.723 2.157 10 0 BEAEHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000375749471 384818239 /nfs/dbraw/zinc/81/82/39/384818239.db2.gz FLOBKESFZGSYKX-FZGMBXNASA-N 0 3 247.338 2.385 10 0 BEAEHN CCN(CC)Cc1cc(CO)ccc1F ZINC000108381865 384784895 /nfs/dbraw/zinc/78/48/95/384784895.db2.gz UONIYFFMSDYZAU-UHFFFAOYSA-N 0 3 211.280 2.160 10 0 BEAEHN COc1c(CN[C@H]2CCC[C@@H]2C)c(C)nn1C ZINC000105504767 384790551 /nfs/dbraw/zinc/79/05/51/384790551.db2.gz LFFKWVCXJQHCRI-CABZTGNLSA-N 0 3 237.347 2.015 10 0 BEAEHN CN(Cc1cccnc1)C[C@@H]1CCCC[C@@H]1O ZINC000053883659 384809952 /nfs/dbraw/zinc/80/99/52/384809952.db2.gz AVTWDZJQFZJQOI-KBPBESRZSA-N 0 3 234.343 2.065 10 0 BEAEHN CSC[C@@H](N)c1ccc(F)cc1F ZINC000055239258 384877669 /nfs/dbraw/zinc/87/76/69/384877669.db2.gz WXSRJUSRGRZDIG-SECBINFHSA-N 0 3 203.257 2.328 10 0 BEAEHN Cc1ccc(F)c(CN[C@H]2CCO[C@@H]2C)c1 ZINC000127324863 384883089 /nfs/dbraw/zinc/88/30/89/384883089.db2.gz SEJBHSFJMXYEOD-MFKMUULPSA-N 0 3 223.291 2.401 10 0 BEAEHN C[C@H]1C[C@H](O)CN(c2ccnc3ccccc32)C1 ZINC000335239220 384866714 /nfs/dbraw/zinc/86/67/14/384866714.db2.gz RYBDIEQFJFRUJT-RYUDHWBXSA-N 0 3 242.322 2.442 10 0 BEAEHN Cc1cc(Br)c(CN)nc1Cl ZINC000156749103 384950182 /nfs/dbraw/zinc/95/01/82/384950182.db2.gz CBUCJFKRXCZFQH-UHFFFAOYSA-N 0 3 235.512 2.265 10 0 BEAEHN CN(C)[C@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC000149884490 384950116 /nfs/dbraw/zinc/95/01/16/384950116.db2.gz MUXRYFSHCZLEER-LBPRGKRZSA-N 0 3 240.391 2.365 10 0 BEAEHN COCc1ccc(CN(C)C[C@H]2CCCO2)cc1 ZINC000128031757 384983482 /nfs/dbraw/zinc/98/34/82/384983482.db2.gz RBJLENZHFMQNAK-OAHLLOKOSA-N 0 3 249.354 2.444 10 0 BEAEHN CCC[C@@](C)(N)C(=O)NCC1CCCCC1 ZINC000037481386 385054578 /nfs/dbraw/zinc/05/45/78/385054578.db2.gz CVUHWJQZWJQEIC-CYBMUJFWSA-N 0 3 226.364 2.200 10 0 BEAEHN Cc1ccc([C@@H](O)CN[C@@H]2CCCSC2)o1 ZINC000128291742 385023963 /nfs/dbraw/zinc/02/39/63/385023963.db2.gz CGSPABJIUUYILS-MNOVXSKESA-N 0 3 241.356 2.107 10 0 BEAEHN CC(C)[C@@H]1OCC[C@H]1CNCc1ccco1 ZINC000165414913 385122978 /nfs/dbraw/zinc/12/29/78/385122978.db2.gz IWKOWKYFTDUKQG-AAEUAGOBSA-N 0 3 223.316 2.430 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1nccs1 ZINC000129219606 385122962 /nfs/dbraw/zinc/12/29/62/385122962.db2.gz IZSUFPGBTZPSGB-HBNTYKKESA-N 0 3 240.372 2.345 10 0 BEAEHN CN(Cc1ccccc1)C[C@H](O)c1cccnc1 ZINC000032100477 385132006 /nfs/dbraw/zinc/13/20/06/385132006.db2.gz UXAIVZDODLILGO-HNNXBMFYSA-N 0 3 242.322 2.247 10 0 BEAEHN CN(Cc1ccccc1)C[C@@H](O)c1cccnc1 ZINC000032100474 385132705 /nfs/dbraw/zinc/13/27/05/385132705.db2.gz UXAIVZDODLILGO-OAHLLOKOSA-N 0 3 242.322 2.247 10 0 BEAEHN CC[C@@H](C)c1csc(N2CCNCC2)n1 ZINC000044494158 385211427 /nfs/dbraw/zinc/21/14/27/385211427.db2.gz QSJBMAYCZNCEHS-SECBINFHSA-N 0 3 225.361 2.066 10 0 BEAEHN N[C@@H]1c2ccccc2[C@@H]2CCCC[C@@H]2[C@@H]1O ZINC000238578236 385256487 /nfs/dbraw/zinc/25/64/87/385256487.db2.gz FJULULWKKOSKMQ-DEQVHRJGSA-N 0 3 217.312 2.335 10 0 BEAEHN Cc1cnn([C@@H]2CCCN(CCCF)C2)c1 ZINC000130330656 385240643 /nfs/dbraw/zinc/24/06/43/385240643.db2.gz KIUFVZCMKJGVGT-GFCCVEGCSA-N 0 3 225.311 2.188 10 0 BEAEHN NCc1ccc2cccc(Br)c2n1 ZINC000062618299 385246316 /nfs/dbraw/zinc/24/63/16/385246316.db2.gz IHWLCPXNQRDOJS-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1ccc(Cl)nc1 ZINC000120316561 385309123 /nfs/dbraw/zinc/30/91/23/385309123.db2.gz WJEVYZQHSNTTMA-PSASIEDQSA-N 0 3 226.707 2.002 10 0 BEAEHN NCc1cc(-c2cccnc2)ccc1F ZINC000038069886 385313056 /nfs/dbraw/zinc/31/30/56/385313056.db2.gz QRZGPFITYDWBGN-UHFFFAOYSA-N 0 3 202.232 2.346 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NCC[C@H]1CCOC1 ZINC000346870256 385265643 /nfs/dbraw/zinc/26/56/43/385265643.db2.gz LSTFSQFRCQWWDB-AAEUAGOBSA-N 0 3 233.311 2.136 10 0 BEAEHN CCc1ccccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000153610849 385269021 /nfs/dbraw/zinc/26/90/21/385269021.db2.gz SJAGCAJKWUFWIC-ZDUSSCGKSA-N 0 3 246.354 2.025 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000052273018 385270058 /nfs/dbraw/zinc/27/00/58/385270058.db2.gz MMQFQGQMIHBUQH-DOMZBBRYSA-N 0 3 241.338 2.429 10 0 BEAEHN Cc1ccc([C@@H]2CCCCN2CCO)o1 ZINC000177814202 385286910 /nfs/dbraw/zinc/28/69/10/385286910.db2.gz RXQHAKKXSYAKDR-NSHDSACASA-N 0 3 209.289 2.107 10 0 BEAEHN CN[C@@H](c1cn[nH]c1)c1sccc1C ZINC000062777208 385415883 /nfs/dbraw/zinc/41/58/83/385415883.db2.gz IHZWZQQYHXEQCR-VIFPVBQESA-N 0 3 207.302 2.088 10 0 BEAEHN Cn1cc([C@H]2CCCN2C[C@@H]2CCC=CO2)cn1 ZINC000193879371 385416279 /nfs/dbraw/zinc/41/62/79/385416279.db2.gz GWGWRBPOIDZVSV-UONOGXRCSA-N 0 3 247.342 2.250 10 0 BEAEHN Cc1csc([C@H]2CCCN(C[C@@H](C)O)C2)n1 ZINC000194952093 385453255 /nfs/dbraw/zinc/45/32/55/385453255.db2.gz ANESQSSBBBQUOF-MNOVXSKESA-N 0 3 240.372 2.012 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc(C)nc1 ZINC000309186503 385458583 /nfs/dbraw/zinc/45/85/83/385458583.db2.gz OYEPDPUPELZYEN-NEPJUHHUSA-N 0 3 205.305 2.063 10 0 BEAEHN C=Cn1c(CO)cc2c1[C@@H](C)CN(C)[C@@H]2C ZINC000196224203 385505994 /nfs/dbraw/zinc/50/59/94/385505994.db2.gz VJWGFAWQJOZHCK-VHSXEESVSA-N 0 3 220.316 2.191 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000054075192 385594002 /nfs/dbraw/zinc/59/40/02/385594002.db2.gz ARVCIDKKFOKDKF-KOLCDFICSA-N 0 3 238.356 2.020 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2c(F)cccc2F)C1 ZINC000037164536 385597219 /nfs/dbraw/zinc/59/72/19/385597219.db2.gz XBOPWRVNKPSTHH-NXEZZACHSA-N 0 3 241.281 2.358 10 0 BEAEHN C[C@@H](NCC1C[C@@H](C)O[C@H](C)C1)c1cnccn1 ZINC000280931731 385620304 /nfs/dbraw/zinc/62/03/04/385620304.db2.gz DXGGQYBLTRSNFY-IJLUTSLNSA-N 0 3 249.358 2.331 10 0 BEAEHN C[C@@H](N(C)C[C@H](O)C(F)(F)F)C1(C)CC1 ZINC000121459386 385842978 /nfs/dbraw/zinc/84/29/78/385842978.db2.gz XCSDCNPODMDXFW-SFYZADRCSA-N 0 3 225.254 2.030 10 0 BEAEHN CCOP(=O)(OCC)[C@]1(C)CCCN1 ZINC000022057376 385890368 /nfs/dbraw/zinc/89/03/68/385890368.db2.gz UJLWZCRCTUPTKJ-SECBINFHSA-N 0 3 221.237 2.352 10 0 in-vitro BEAEHN COC[C@@H](CN[C@H](C)c1cc(C)oc1C)OC ZINC000219297685 385926957 /nfs/dbraw/zinc/92/69/57/385926957.db2.gz VCMHNHSAABGLOY-ZYHUDNBSSA-N 0 3 241.331 2.208 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cccc(OC)n1 ZINC000233409935 385948120 /nfs/dbraw/zinc/94/81/20/385948120.db2.gz JZWUJBQJKIYBSU-CMPLNLGQSA-N 0 3 220.316 2.368 10 0 BEAEHN C[C@H](N)c1cnc(C2CCOCC2)s1 ZINC000054160636 386110406 /nfs/dbraw/zinc/11/04/06/386110406.db2.gz XLPKOUWZNLMGKK-ZETCQYMHSA-N 0 3 212.318 2.057 10 0 BEAEHN C[C@H]1CC[C@](N)(c2cnsc2)CS1 ZINC000575573310 386162472 /nfs/dbraw/zinc/16/24/72/386162472.db2.gz XARUJMYOTWVSOO-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN CC[C@H](N)c1ncsc1Br ZINC000575571497 386141608 /nfs/dbraw/zinc/14/16/08/386141608.db2.gz WDJRAKGFAHGTGJ-BYPYZUCNSA-N 0 3 221.123 2.315 10 0 BEAEHN C[C@H](CO)[C@H](C)NCc1ccccc1Cl ZINC000125764887 386312066 /nfs/dbraw/zinc/31/20/66/386312066.db2.gz GGVRADGHKUAEPL-ZJUUUORDSA-N 0 3 227.735 2.447 10 0 BEAEHN CCC[C@](C)(N)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366344857 386378318 /nfs/dbraw/zinc/37/83/18/386378318.db2.gz GHBKJDLETQDCFW-BZPMIXESSA-N 0 3 238.375 2.295 10 0 BEAEHN COc1ccc([C@@H](N)CF)c(Br)c1 ZINC000521401026 386450556 /nfs/dbraw/zinc/45/05/56/386450556.db2.gz VIJSKJWREVRBBK-VIFPVBQESA-N 0 3 248.095 2.427 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1c(C)nn(C)c1C ZINC000165032365 386497017 /nfs/dbraw/zinc/49/70/17/386497017.db2.gz GMLUKWFFMOCGNS-DGCLKSJQSA-N 0 3 221.348 2.315 10 0 BEAEHN CC(C)(C)[C@H]1CCC[C@]1(N)c1ncc[nH]1 ZINC000521401702 386460654 /nfs/dbraw/zinc/46/06/54/386460654.db2.gz NATQVRRMWWNESM-BXKDBHETSA-N 0 3 207.321 2.410 10 0 BEAEHN CC(C)[C@H]1CCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000136191777 386570700 /nfs/dbraw/zinc/57/07/00/386570700.db2.gz WBIKIMJDROIRKY-JSGCOSHPSA-N 0 3 238.375 2.023 10 0 BEAEHN CCC[C@H](C(=O)NC(CC)CC)N(C)C ZINC000179333092 386639131 /nfs/dbraw/zinc/63/91/31/386639131.db2.gz KVUNCJXWEQDSDC-LLVKDONJSA-N 0 3 214.353 2.022 10 0 BEAEHN CCC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N(C)C ZINC000179333230 386641477 /nfs/dbraw/zinc/64/14/77/386641477.db2.gz UBAIIVGKYKHYTJ-YNEHKIRRSA-N 0 3 240.391 2.412 10 0 BEAEHN N[C@@H](Cc1ccncc1)c1cccs1 ZINC000053134899 386661369 /nfs/dbraw/zinc/66/13/69/386661369.db2.gz SDUZCWGCCJVTCO-JTQLQIEISA-N 0 3 204.298 2.386 10 0 BEAEHN Cc1ccc([C@@H](C)NCCn2cncn2)cc1C ZINC000268836400 386669179 /nfs/dbraw/zinc/66/91/79/386669179.db2.gz PLXJVLORPQGCAF-CYBMUJFWSA-N 0 3 244.342 2.246 10 0 BEAEHN Cc1ccc([C@@H](C)NCCn2cncn2)c(C)c1 ZINC000268828663 386670189 /nfs/dbraw/zinc/67/01/89/386670189.db2.gz NVRVHZTVYQITIL-CYBMUJFWSA-N 0 3 244.342 2.246 10 0 BEAEHN CC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000122117845 386738030 /nfs/dbraw/zinc/73/80/30/386738030.db2.gz XXHPHVYFYKGZCC-WOPDTQHZSA-N 0 3 226.364 2.055 10 0 BEAEHN CC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000122117401 386738049 /nfs/dbraw/zinc/73/80/49/386738049.db2.gz XXHPHVYFYKGZCC-GRYCIOLGSA-N 0 3 226.364 2.055 10 0 BEAEHN CC[C@@H](C(N)=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114493879 386791562 /nfs/dbraw/zinc/79/15/62/386791562.db2.gz JFEFKCANIFWZHZ-JSGCOSHPSA-N 0 3 236.359 2.073 10 0 BEAEHN O[C@@H]1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000398777976 386990883 /nfs/dbraw/zinc/99/08/83/386990883.db2.gz MLHYCJDYUJZGRE-GZBFAFLISA-N 0 3 249.329 2.419 10 0 BEAEHN Cc1nc([C@]2(N)CCS[C@@H]2C)cs1 ZINC000575462336 387034744 /nfs/dbraw/zinc/03/47/44/387034744.db2.gz BMCDLRQQFHXEGI-MUWHJKNJSA-N 0 3 214.359 2.131 10 0 BEAEHN N[C@@H](c1cncs1)C1CC(F)(F)C1 ZINC000575462871 387041894 /nfs/dbraw/zinc/04/18/94/387041894.db2.gz XQLGRXALWGMRAZ-SSDOTTSWSA-N 0 3 204.245 2.188 10 0 BEAEHN Cc1ncc([C@H](N)[C@H]2CCCS2)s1 ZINC000575456216 387027792 /nfs/dbraw/zinc/02/77/92/387027792.db2.gz GCYKARIWIUZKIW-VXNVDRBHSA-N 0 3 214.359 2.347 10 0 BEAEHN CC(C)(O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186190947 387074013 /nfs/dbraw/zinc/07/40/13/387074013.db2.gz YUOCRVYEKVNNNR-UHFFFAOYSA-N 0 3 231.339 2.305 10 0 BEAEHN c1coc(CN[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000228348946 387084058 /nfs/dbraw/zinc/08/40/58/387084058.db2.gz SVJDKBOMLLMHLU-YNEHKIRRSA-N 0 3 221.300 2.327 10 0 BEAEHN N[C@H](CC(F)F)c1cccc2c1OCO2 ZINC000575437137 387105429 /nfs/dbraw/zinc/10/54/29/387105429.db2.gz OZXCIJXZDVFYSY-SSDOTTSWSA-N 0 3 215.199 2.070 10 0 BEAEHN COc1cccc(OC)c1[C@@H](N)CC(F)F ZINC000575437211 387106078 /nfs/dbraw/zinc/10/60/78/387106078.db2.gz AQIAKWHMZKUKOR-ZETCQYMHSA-N 0 3 231.242 2.359 10 0 BEAEHN C[C@H]1CCCCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000335029683 387124725 /nfs/dbraw/zinc/12/47/25/387124725.db2.gz PKGHIDSDSPDIOI-GXTWGEPZSA-N 0 3 238.375 2.167 10 0 BEAEHN COc1cc(F)c([C@@H](N)CCF)c(F)c1 ZINC000575439679 387125908 /nfs/dbraw/zinc/12/59/08/387125908.db2.gz UHJFXLQFLURGEK-VIFPVBQESA-N 0 3 219.206 2.333 10 0 BEAEHN N[C@@H](CCF)c1c(F)ccc(F)c1F ZINC000575440061 387127364 /nfs/dbraw/zinc/12/73/64/387127364.db2.gz IEDFXCCGDHPNPZ-ZETCQYMHSA-N 0 3 207.170 2.463 10 0 BEAEHN COc1c(F)cccc1[C@@H](N)CCF ZINC000575440152 387127584 /nfs/dbraw/zinc/12/75/84/387127584.db2.gz KWDKHYKERFRIAN-VIFPVBQESA-N 0 3 201.216 2.194 10 0 BEAEHN CC[C@@H](C)CN(CC)C[C@@H](C)CS(C)(=O)=O ZINC000119597913 387142813 /nfs/dbraw/zinc/14/28/13/387142813.db2.gz MQKSAKVOPVVEBL-VXGBXAGGSA-N 0 3 249.420 2.035 10 0 BEAEHN COc1cc(F)ccc1[C@@H](N)CCF ZINC000575440436 387133134 /nfs/dbraw/zinc/13/31/34/387133134.db2.gz VGFYVXGREYFSTF-VIFPVBQESA-N 0 3 201.216 2.194 10 0 BEAEHN CC1(C)C[C@]1(N)c1ncccc1Br ZINC000575592574 387217700 /nfs/dbraw/zinc/21/77/00/387217700.db2.gz WLFZRMIAHWGITQ-JTQLQIEISA-N 0 3 241.132 2.428 10 0 BEAEHN CCCCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000097359386 387244101 /nfs/dbraw/zinc/24/41/01/387244101.db2.gz VFOXBWRCWIHPIZ-GFCCVEGCSA-N 0 3 228.380 2.269 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2NCCC(C)(C)C ZINC000188095893 387248659 /nfs/dbraw/zinc/24/86/59/387248659.db2.gz HDZBCBLALGMZCF-LLVKDONJSA-N 0 3 236.363 2.447 10 0 BEAEHN CCCCCC[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188198896 387256308 /nfs/dbraw/zinc/25/63/08/387256308.db2.gz JTJLORRDBWFIIS-GRYCIOLGSA-N 0 3 244.354 2.162 10 0 BEAEHN CCC[C@H](C(=O)NCCC1=CCCC1)N(C)C ZINC000121419057 387348297 /nfs/dbraw/zinc/34/82/97/387348297.db2.gz HDTLAUTYZPBKCL-CYBMUJFWSA-N 0 3 238.375 2.333 10 0 BEAEHN F[C@@H](c1cncs1)[C@@H]1CCCCN1 ZINC000575517670 387432162 /nfs/dbraw/zinc/43/21/62/387432162.db2.gz GXHUGBBDYZAZLS-IONNQARKSA-N 0 3 200.282 2.296 10 0 BEAEHN CCOc1ccc(CN)c(OCC)c1F ZINC000575720994 387442364 /nfs/dbraw/zinc/44/23/64/387442364.db2.gz FGYGEQQHCWBRAF-UHFFFAOYSA-N 0 3 213.252 2.082 10 0 BEAEHN Cc1ccc(OC(F)F)c(CN)c1C ZINC000575721751 387444083 /nfs/dbraw/zinc/44/40/83/387444083.db2.gz SUJAFTQZXQXGEJ-UHFFFAOYSA-N 0 3 201.216 2.364 10 0 BEAEHN CCOc1ccc(OCC)c(CN)c1F ZINC000575721854 387445098 /nfs/dbraw/zinc/44/50/98/387445098.db2.gz WRTAZUQJHZDFHE-UHFFFAOYSA-N 0 3 213.252 2.082 10 0 BEAEHN C[C@]1([C@@H](N)c2cncs2)CCCS1 ZINC000575515264 387422832 /nfs/dbraw/zinc/42/28/32/387422832.db2.gz PRSXKYVIARDAGT-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN CC(C)CCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000122862490 387609123 /nfs/dbraw/zinc/60/91/23/387609123.db2.gz RSOOPLJDFOUJNC-STQMWFEESA-N 0 3 240.391 2.364 10 0 BEAEHN CCCCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000124513059 387621429 /nfs/dbraw/zinc/62/14/29/387621429.db2.gz DAXDNHJIPWOJRT-VXGBXAGGSA-N 0 3 226.364 2.118 10 0 BEAEHN CCCNC(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000035139685 387555030 /nfs/dbraw/zinc/55/50/30/387555030.db2.gz GRTWSLPJXSNJBO-NXEZZACHSA-N 0 3 240.372 2.313 10 0 BEAEHN C[C@H]1CC[C@](N)(c2cscn2)CS1 ZINC000575573670 387750371 /nfs/dbraw/zinc/75/03/71/387750371.db2.gz ZDIAEBLIUQPQCE-IONNQARKSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1nc([C@@]2(N)CS[C@H](C)C2)cs1 ZINC000575572899 387753000 /nfs/dbraw/zinc/75/30/00/387753000.db2.gz RWVLVOUBVLXVBZ-MUWHJKNJSA-N 0 3 214.359 2.131 10 0 BEAEHN CC(C)(C)NC(=O)CN1CCCC(C)(C)CC1 ZINC000127000742 387703954 /nfs/dbraw/zinc/70/39/54/387703954.db2.gz YWQXGJAJSLXGIM-UHFFFAOYSA-N 0 3 240.391 2.413 10 0 BEAEHN C[C@H]1COC[C@]1(N)c1ccc(Cl)s1 ZINC000575570544 387737806 /nfs/dbraw/zinc/73/78/06/387737806.db2.gz KOAFXEJPUSMCRN-IMTBSYHQSA-N 0 3 217.721 2.222 10 0 BEAEHN CC[C@H](N[C@@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898316 387819968 /nfs/dbraw/zinc/81/99/68/387819968.db2.gz VJHUEUHKSNKKMP-AAEUAGOBSA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC2(CCCC2)C1 ZINC000236948104 387912634 /nfs/dbraw/zinc/91/26/34/387912634.db2.gz XQLNXKXBMFWDQT-VXGBXAGGSA-N 0 3 238.375 2.153 10 0 BEAEHN C[C@H](N)c1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994557 387975987 /nfs/dbraw/zinc/97/59/87/387975987.db2.gz CUASCTAGWGEWSG-QWRGUYRKSA-N 0 3 245.326 2.235 10 0 BEAEHN Cc1cnc(CN2C[C@H]3CCCCN3C[C@H]2C)o1 ZINC000300404648 388005675 /nfs/dbraw/zinc/00/56/75/388005675.db2.gz UJBZIRGSKUVYBT-DGCLKSJQSA-N 0 3 249.358 2.042 10 0 BEAEHN C[C@H](NCc1ccncc1Cl)[C@H]1CCCO1 ZINC000084084768 388070974 /nfs/dbraw/zinc/07/09/74/388070974.db2.gz FSXCKJDYDANUGC-JOYOIKCWSA-N 0 3 240.734 2.392 10 0 BEAEHN COC[C@H](N)c1ccc(Br)s1 ZINC000071546903 388098715 /nfs/dbraw/zinc/09/87/15/388098715.db2.gz GGVCXQPRULTOOZ-YFKPBYRVSA-N 0 3 236.134 2.157 10 0 BEAEHN CCOc1ccccc1[C@@H](C)NC[C@H](C)CO ZINC000086616792 388104598 /nfs/dbraw/zinc/10/45/98/388104598.db2.gz NLMNYDRKJZCPKP-NWDGAFQWSA-N 0 3 237.343 2.364 10 0 BEAEHN C[C@H](NC[C@@H](O)C(C)(C)C)c1cncs1 ZINC000164043735 388138249 /nfs/dbraw/zinc/13/82/49/388138249.db2.gz IZCZVNFQYXZTBH-WCBMZHEXSA-N 0 3 228.361 2.201 10 0 BEAEHN CCC[C@H](C(=O)NC[C@H](C)C(C)C)N(C)C ZINC000179404236 256513684 /nfs/dbraw/zinc/51/36/84/256513684.db2.gz TZFGYNXHOZMLCW-NWDGAFQWSA-N 0 3 228.380 2.125 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnn(CC)c1 ZINC000165054339 388250033 /nfs/dbraw/zinc/25/00/33/388250033.db2.gz OIBXBRPUYHJSRK-RYUDHWBXSA-N 0 3 207.321 2.181 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnn(CC)c1 ZINC000165054576 388250480 /nfs/dbraw/zinc/25/04/80/388250480.db2.gz OIBXBRPUYHJSRK-NWDGAFQWSA-N 0 3 207.321 2.181 10 0 BEAEHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C)cn1 ZINC000134368393 388475699 /nfs/dbraw/zinc/47/56/99/388475699.db2.gz CQTSAHWNNAQZCH-KBPBESRZSA-N 0 3 234.343 2.437 10 0 BEAEHN NCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000040954746 388430038 /nfs/dbraw/zinc/43/00/38/388430038.db2.gz JYHWGCPBVIWGTJ-ZDUSSCGKSA-N 0 3 238.139 2.060 10 0 BEAEHN CO[C@@H]1C[C@@H](N[C@@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396008 388437997 /nfs/dbraw/zinc/43/79/97/388437997.db2.gz PPABHNZJJLJQEE-MVWJERBFSA-N 0 3 235.331 2.018 10 0 BEAEHN CC(C)C1(NCC(=O)NC2CCCCC2)CC1 ZINC000339513228 388484880 /nfs/dbraw/zinc/48/48/80/388484880.db2.gz VEJLPDXVOVAPFN-UHFFFAOYSA-N 0 3 238.375 2.214 10 0 BEAEHN CC[C@@H](NCc1nncn1CC)[C@@H]1CC1(C)C ZINC000397654870 388487575 /nfs/dbraw/zinc/48/75/75/388487575.db2.gz BLRNNAPBAIBRLJ-WDEREUQCSA-N 0 3 236.363 2.212 10 0 BEAEHN C[C@]1(c2cccs2)C[C@H]1CNC1COC1 ZINC000367908450 388567586 /nfs/dbraw/zinc/56/75/86/388567586.db2.gz BMPLEGDRBBYSHL-CABZTGNLSA-N 0 3 223.341 2.014 10 0 BEAEHN CCCn1cc(CNC[C@@H](C)SC)cn1 ZINC000125810559 388678184 /nfs/dbraw/zinc/67/81/84/388678184.db2.gz VOJAOLHVVBOCGB-SNVBAGLBSA-N 0 3 227.377 2.134 10 0 BEAEHN Cn1cc([C@H]2CCCN2CC[C@@H]2CCCO2)cn1 ZINC000189101665 388621212 /nfs/dbraw/zinc/62/12/12/388621212.db2.gz XCLIQTMICPCNFV-UONOGXRCSA-N 0 3 249.358 2.126 10 0 BEAEHN Nc1ccc(Cl)cc1[C@@H](N)CCF ZINC000575438919 388624813 /nfs/dbraw/zinc/62/48/13/388624813.db2.gz NJUYGPWJFWEYHL-VIFPVBQESA-N 0 3 202.660 2.282 10 0 BEAEHN CN[C@H](c1ccsc1)c1cccnc1 ZINC000037761944 388645655 /nfs/dbraw/zinc/64/56/55/388645655.db2.gz OWCCYFWSZFPSTP-NSHDSACASA-N 0 3 204.298 2.452 10 0 BEAEHN CC(C)[C@H](C)NC(=O)C1CCN(C2CC2)CC1 ZINC000195272970 388704009 /nfs/dbraw/zinc/70/40/09/388704009.db2.gz HATPRNLEJFJSOF-NSHDSACASA-N 0 3 238.375 2.022 10 0 BEAEHN Cc1ccc(CN[C@@H](CC(C)C)CN(C)C)nc1 ZINC000127021001 388711701 /nfs/dbraw/zinc/71/17/01/388711701.db2.gz IEWQGKVZCLPXDE-HNNXBMFYSA-N 0 3 249.402 2.456 10 0 BEAEHN OC1CC(CNc2ccnc3ccccc32)C1 ZINC000091525148 388764886 /nfs/dbraw/zinc/76/48/86/388764886.db2.gz CUDIXRDNOQCNQI-UHFFFAOYSA-N 0 3 228.295 2.418 10 0 BEAEHN CCN1CCC[C@@H](N[C@H](C)c2cncs2)C1 ZINC000252714541 388775521 /nfs/dbraw/zinc/77/55/21/388775521.db2.gz SFJDCKIOEJWCOY-GHMZBOCLSA-N 0 3 239.388 2.278 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cnccn1 ZINC000252730497 388777106 /nfs/dbraw/zinc/77/71/06/388777106.db2.gz LQJWFZFHHIIHQK-MXWKQRLJSA-N 0 3 205.305 2.316 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1cccs1 ZINC000229383477 388787472 /nfs/dbraw/zinc/78/74/72/388787472.db2.gz AJZHYOFWHPSZAP-NSHDSACASA-N 0 3 213.346 2.341 10 0 BEAEHN Cc1nc([C@]2(N)CCS[C@H]2C)cs1 ZINC000575462337 388826608 /nfs/dbraw/zinc/82/66/08/388826608.db2.gz BMCDLRQQFHXEGI-RCOVLWMOSA-N 0 3 214.359 2.131 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1c(C)nn(C)c1OC ZINC000231675172 388839870 /nfs/dbraw/zinc/83/98/70/388839870.db2.gz SRJLPMMNOLQAAE-ZYHUDNBSSA-N 0 3 237.347 2.015 10 0 BEAEHN OC1CC(CNCc2cccc(Cl)c2F)C1 ZINC000229238411 388840551 /nfs/dbraw/zinc/84/05/51/388840551.db2.gz ZJDKLWLJKPMAQU-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN CC(C)n1nccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000337202137 388850438 /nfs/dbraw/zinc/85/04/38/388850438.db2.gz GPCJYVNYSFHBCL-AAEUAGOBSA-N 0 3 237.347 2.121 10 0 BEAEHN C[C@]1([C@H](N)c2cncs2)CCCS1 ZINC000575515268 389046922 /nfs/dbraw/zinc/04/69/22/389046922.db2.gz PRSXKYVIARDAGT-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN Cc1cccc(N2CCN[C@@H](C)C2)c1C ZINC000016944744 132323495 /nfs/dbraw/zinc/32/34/95/132323495.db2.gz CLTFZWGLPPPSLP-NSHDSACASA-N 0 3 204.317 2.102 10 0 BEAEHN C[C@@H](N)c1cc(F)ccc1N1CCSCC1 ZINC000020257409 132330362 /nfs/dbraw/zinc/33/03/62/132330362.db2.gz BCYMELDADVIYPX-SECBINFHSA-N 0 3 240.347 2.399 10 0 BEAEHN Cc1ccc(C)c(N2CCN[C@@H](C)C2)c1 ZINC000016944759 132323618 /nfs/dbraw/zinc/32/36/18/132323618.db2.gz IGPQVKKOTBDMIP-LBPRGKRZSA-N 0 3 204.317 2.102 10 0 BEAEHN Cc1ccc(C)c(N2CCN[C@H](C)C2)c1 ZINC000016944755 132323753 /nfs/dbraw/zinc/32/37/53/132323753.db2.gz IGPQVKKOTBDMIP-GFCCVEGCSA-N 0 3 204.317 2.102 10 0 BEAEHN C[C@@H]1COCCN1c1ccccc1CNC1CC1 ZINC000035777765 132339440 /nfs/dbraw/zinc/33/94/40/132339440.db2.gz XYFVGBDNIFGMPU-GFCCVEGCSA-N 0 3 246.354 2.164 10 0 BEAEHN CC[C@@H]1CCCN(c2ncccc2CN)C1 ZINC000036168554 132340332 /nfs/dbraw/zinc/34/03/32/132340332.db2.gz KBZNRUHVFRRQQX-LLVKDONJSA-N 0 3 219.332 2.167 10 0 BEAEHN CCCCN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037198020 132343573 /nfs/dbraw/zinc/34/35/73/132343573.db2.gz IICALBKSSRACNP-GFCCVEGCSA-N 0 3 232.327 2.484 10 0 BEAEHN CC[C@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186674 132343597 /nfs/dbraw/zinc/34/35/97/132343597.db2.gz WWUUKOYBNJJXRX-JQWIXIFHSA-N 0 3 232.327 2.482 10 0 BEAEHN CC(C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186305 132343769 /nfs/dbraw/zinc/34/37/69/132343769.db2.gz MXTNDMNWSZJGGP-LLVKDONJSA-N 0 3 218.300 2.092 10 0 BEAEHN C[C@@H](N[C@@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259669 132344311 /nfs/dbraw/zinc/34/43/11/132344311.db2.gz XIJKYBJRCUTBMO-ZWNOBZJWSA-N 0 3 244.338 2.482 10 0 BEAEHN C[C@@H]1CNCCN1c1cccc(Cl)c1F ZINC000038276633 132346084 /nfs/dbraw/zinc/34/60/84/132346084.db2.gz GFJABTPAYSWQOD-MRVPVSSYSA-N 0 3 228.698 2.277 10 0 BEAEHN C[C@@H]1CNCCN1c1ccc(Cl)cc1F ZINC000038212919 132346133 /nfs/dbraw/zinc/34/61/33/132346133.db2.gz PZZWVJFHCCPXCR-MRVPVSSYSA-N 0 3 228.698 2.277 10 0 BEAEHN Cc1ccc(CN)c(N2CCCC[C@@H]2C)n1 ZINC000043395448 132352946 /nfs/dbraw/zinc/35/29/46/132352946.db2.gz QEODFXCZWBMAIT-NSHDSACASA-N 0 3 219.332 2.228 10 0 BEAEHN CN1c2ccccc2[C@H](N[C@@H]2CC2(C)C)CC1=O ZINC000045117713 132354681 /nfs/dbraw/zinc/35/46/81/132354681.db2.gz KYXXRDJWYPIYAZ-DGCLKSJQSA-N 0 3 244.338 2.482 10 0 BEAEHN Cc1ccc(CN)c(N2CCC[C@@H](C)[C@@H]2C)n1 ZINC000050562877 132359177 /nfs/dbraw/zinc/35/91/77/132359177.db2.gz SKWJAHVEORKBQL-PWSUYJOCSA-N 0 3 233.359 2.474 10 0 BEAEHN CC1CCN(c2ccc(Cl)c(CN)n2)CC1 ZINC000051396108 132360057 /nfs/dbraw/zinc/36/00/57/132360057.db2.gz YEAVFTJLLRWVJF-UHFFFAOYSA-N 0 3 239.750 2.430 10 0 BEAEHN NCc1cccc(N2CCc3sccc3C2)n1 ZINC000051396243 132360192 /nfs/dbraw/zinc/36/01/92/132360192.db2.gz NGGBXRHGMLHYBI-UHFFFAOYSA-N 0 3 245.351 2.165 10 0 BEAEHN CNCc1cccc(N2CCC[C@H](C)C2)n1 ZINC000051399861 132360784 /nfs/dbraw/zinc/36/07/84/132360784.db2.gz HBSVDJLSNLPFRQ-NSHDSACASA-N 0 3 219.332 2.037 10 0 BEAEHN Cc1ccc(CN)c(N2CCSCC2)c1 ZINC000051578919 132361282 /nfs/dbraw/zinc/36/12/82/132361282.db2.gz AZWNXXNRPQQTRK-UHFFFAOYSA-N 0 3 222.357 2.007 10 0 BEAEHN C[C@@H]1CCN(c2ncccc2CN)[C@H](C)C1 ZINC000051728438 132361485 /nfs/dbraw/zinc/36/14/85/132361485.db2.gz UJIBLZBIIKNHNH-GHMZBOCLSA-N 0 3 219.332 2.165 10 0 BEAEHN CC1(C)CCN(c2ncccc2CN)CC1 ZINC000061817956 132387196 /nfs/dbraw/zinc/38/71/96/132387196.db2.gz VKXRUAHWUASNMB-UHFFFAOYSA-N 0 3 219.332 2.167 10 0 BEAEHN C[C@@H]1CN(c2cc(Cl)ccc2CN)CCO1 ZINC000062786726 132388696 /nfs/dbraw/zinc/38/86/96/132388696.db2.gz LVOZFTOUGCCGFC-SECBINFHSA-N 0 3 240.734 2.024 10 0 BEAEHN C[C@@H](CN1CCOCC2(CC2)C1)C(F)(F)F ZINC000335975408 134030747 /nfs/dbraw/zinc/03/07/47/134030747.db2.gz OYAQNXKHHWCXHA-VIFPVBQESA-N 0 3 237.265 2.297 10 0 BEAEHN O[C@@H]1c2ccccc2C[C@@H]1NCc1ccco1 ZINC000172067934 134261205 /nfs/dbraw/zinc/26/12/05/134261205.db2.gz WAJSTJLIJDYLQW-UONOGXRCSA-N 0 3 229.279 2.028 10 0 BEAEHN Cc1ncccc1CN1CCCN(C2CC2)CC1 ZINC000179732928 134320714 /nfs/dbraw/zinc/32/07/14/134320714.db2.gz ODRLAUNKJPVYSR-UHFFFAOYSA-N 0 3 245.370 2.060 10 0 BEAEHN CC(C)n1cc(CN[C@H](C)[C@@H]2CCCO2)cn1 ZINC000226240980 134361925 /nfs/dbraw/zinc/36/19/25/134361925.db2.gz CSYMIXWSBXVSHQ-YPMHNXCESA-N 0 3 237.347 2.121 10 0 BEAEHN CCOc1ccc(CN2CC[C@H](CCO)C2)cc1 ZINC000227576126 134386117 /nfs/dbraw/zinc/38/61/17/134386117.db2.gz LXXNVACONHNXPK-CQSZACIVSA-N 0 3 249.354 2.290 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1cnccn1 ZINC000248701253 135019158 /nfs/dbraw/zinc/01/91/58/135019158.db2.gz AGSINXZJKBTWFM-ZKYQVNSYSA-N 0 3 247.342 2.085 10 0 BEAEHN C[C@@H]1CN(C[C@@H](O)C2CCCCC2)CCS1 ZINC000249155365 135034563 /nfs/dbraw/zinc/03/45/63/135034563.db2.gz YMTPEICVMZBCRA-DGCLKSJQSA-N 0 3 243.416 2.365 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CC1CCC1 ZINC000252519976 135092615 /nfs/dbraw/zinc/09/26/15/135092615.db2.gz ASGNGTXMRFXJSZ-OCCSQVGLSA-N 0 3 222.376 2.345 10 0 BEAEHN CCC[C@](C)(N)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261554876 135194766 /nfs/dbraw/zinc/19/47/66/135194766.db2.gz PGICCSZHWSDYDD-OBJOEFQTSA-N 0 3 238.375 2.153 10 0 BEAEHN CSCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000178871442 397850843 /nfs/dbraw/zinc/85/08/43/397850843.db2.gz XBJJQJDDBUUVJN-LLVKDONJSA-N 0 3 225.361 2.300 10 0 BEAEHN NN=c1ccc(-c2cccc(Cl)c2)n[nH]1 ZINC000039632725 397926580 /nfs/dbraw/zinc/92/65/80/397926580.db2.gz ZSLZEMNLILRXLF-UHFFFAOYSA-N 0 3 220.663 2.083 10 0 BEAEHN OCc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000382248465 397926631 /nfs/dbraw/zinc/92/66/31/397926631.db2.gz UNUZRUPEARPTQT-ZWKOPEQDSA-N 0 3 221.300 2.050 10 0 BEAEHN CO[C@@H](CN)c1ccsc1Br ZINC000575592248 397990929 /nfs/dbraw/zinc/99/09/29/397990929.db2.gz PHWNLPRWCYXTHG-LURJTMIESA-N 0 3 236.134 2.157 10 0 BEAEHN N[C@H](c1cscn1)[C@@H]1CCCCS1 ZINC000307127187 397983980 /nfs/dbraw/zinc/98/39/80/397983980.db2.gz IRHOFRDXSZGBEX-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN N[C@@H](c1cscn1)[C@@H]1CCCCS1 ZINC000307127194 397984056 /nfs/dbraw/zinc/98/40/56/397984056.db2.gz IRHOFRDXSZGBEX-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@@H]1C[C@@H](O)CN(C/C=C/c2ccccc2)C1 ZINC000334747703 398066058 /nfs/dbraw/zinc/06/60/58/398066058.db2.gz VNYDPVWMHNWRRQ-IEOKHJKGSA-N 0 3 231.339 2.403 10 0 BEAEHN C[C@@H]1C[C@H](N(C)C(=O)C2CCCC2)CCN1C ZINC000123694123 398094480 /nfs/dbraw/zinc/09/44/80/398094480.db2.gz GJZOCIPZHDGIPC-DGCLKSJQSA-N 0 3 238.375 2.118 10 0 BEAEHN COC(=O)CCCN1CCC[C@@H]1c1ccco1 ZINC000116404760 398090388 /nfs/dbraw/zinc/09/03/88/398090388.db2.gz LGXCJMXCZJIMIZ-LLVKDONJSA-N 0 3 237.299 2.370 10 0 BEAEHN CCSCCNCc1ccc2c(c1)OCO2 ZINC000128953610 398098956 /nfs/dbraw/zinc/09/89/56/398098956.db2.gz ODDFTYHBFYAHJD-UHFFFAOYSA-N 0 3 239.340 2.258 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H](C)CC(C)C ZINC000037807304 171392765 /nfs/dbraw/zinc/39/27/65/171392765.db2.gz ZAPSZWBQNQPBHC-SRVKXCTJSA-N 0 3 228.380 2.253 10 0 BEAEHN CC(C)N[C@@H]1COc2c1ccc(F)c2F ZINC000062611321 167136761 /nfs/dbraw/zinc/13/67/61/167136761.db2.gz DWFYWWDKQFBWBH-SECBINFHSA-N 0 3 213.227 2.396 10 0 BEAEHN CC(C)N[C@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446530 167142576 /nfs/dbraw/zinc/14/25/76/167142576.db2.gz WLSMCFPUBGNTCR-LBPRGKRZSA-N 0 3 240.734 2.039 10 0 BEAEHN CC(C)Oc1cc2c(cc1O)CCN[C@H]2C ZINC000039110317 167287666 /nfs/dbraw/zinc/28/76/66/167287666.db2.gz XDXJQAUCFNGKME-VIFPVBQESA-N 0 3 221.300 2.386 10 0 BEAEHN CC(C)SCCN1CCN2CCCC[C@H]2C1 ZINC000369503234 167326728 /nfs/dbraw/zinc/32/67/28/167326728.db2.gz JORAUTCGMMKPJB-ZDUSSCGKSA-N 0 3 242.432 2.298 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000655484609 410755597 /nfs/dbraw/zinc/75/55/97/410755597.db2.gz XVWZXANHUWDGEI-MFKMUULPSA-N 0 3 238.375 2.069 10 0 BEAEHN CC(C)CNCc1ccnc(-c2ccco2)n1 ZINC000054792450 167009867 /nfs/dbraw/zinc/00/98/67/167009867.db2.gz BGORAGWYGTYCMP-UHFFFAOYSA-N 0 3 231.299 2.482 10 0 BEAEHN CC(C)CNCc1csc(N2CCCC2)n1 ZINC000070681752 167010821 /nfs/dbraw/zinc/01/08/21/167010821.db2.gz ZZPIQGQJRNCXPM-UHFFFAOYSA-N 0 3 239.388 2.489 10 0 BEAEHN CC(C)CN[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC000037946163 167014043 /nfs/dbraw/zinc/01/40/43/167014043.db2.gz BYBAOVDTVCIGGY-NSHDSACASA-N 0 3 240.734 2.112 10 0 BEAEHN CC(C)N1C[C@H](C)NCc2ccccc21 ZINC000062569229 167032778 /nfs/dbraw/zinc/03/27/78/167032778.db2.gz GXWWSOKQBIPKSB-NSHDSACASA-N 0 3 204.317 2.393 10 0 BEAEHN CC(C)NCC(=O)Nc1ccc(F)cc1Cl ZINC000037386008 167097103 /nfs/dbraw/zinc/09/71/03/167097103.db2.gz RRSDFYOEJKXYSG-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CC(C)NCc1cnc(-c2ccncc2)nc1 ZINC000054856103 167120277 /nfs/dbraw/zinc/12/02/77/167120277.db2.gz LXNLTCDVWPNGNH-UHFFFAOYSA-N 0 3 228.299 2.037 10 0 BEAEHN CC(C)NCc1nc2c(cccc2F)[nH]1 ZINC000037474955 167120577 /nfs/dbraw/zinc/12/05/77/167120577.db2.gz NQWGSUCAZINKBT-UHFFFAOYSA-N 0 3 207.252 2.200 10 0 BEAEHN CC(C)NCc1nccn1CCc1cccnc1 ZINC000063223722 167123052 /nfs/dbraw/zinc/12/30/52/167123052.db2.gz PLYNDEXIIULQDJ-UHFFFAOYSA-N 0 3 244.342 2.019 10 0 BEAEHN CC(C)N[C@@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974244 167135021 /nfs/dbraw/zinc/13/50/21/167135021.db2.gz AOEMKSUXDQNSDR-BDJLRTHQSA-N 0 3 241.331 2.376 10 0 BEAEHN CC(C)N[C@H](CO)c1ccc(Cl)cc1 ZINC000038115732 167140707 /nfs/dbraw/zinc/14/07/07/167140707.db2.gz RBBLEUAKMZQCRY-LLVKDONJSA-N 0 3 213.708 2.371 10 0 BEAEHN CC(C)N[C@](C)(CO)c1cc(F)ccc1F ZINC000038115530 167141642 /nfs/dbraw/zinc/14/16/42/167141642.db2.gz UDZJQTZQOAQYJZ-GFCCVEGCSA-N 0 3 229.270 2.170 10 0 BEAEHN CC(C)N[C@](C)(CO)c1ccccc1F ZINC000038115620 167141795 /nfs/dbraw/zinc/14/17/95/167141795.db2.gz GVDMZXNUUPLKIZ-GFCCVEGCSA-N 0 3 211.280 2.031 10 0 BEAEHN CCN(CC)CCn1c(C)cc(C=O)c1C ZINC000019482506 169784286 /nfs/dbraw/zinc/78/42/86/169784286.db2.gz UUYFXPDRZRRIHP-UHFFFAOYSA-N 0 3 222.332 2.259 10 0 BEAEHN CC(C)Oc1ccc(CN[C@H](C)CO)cc1F ZINC000098126655 167294311 /nfs/dbraw/zinc/29/43/11/167294311.db2.gz MEFOCOUPRRSILS-SNVBAGLBSA-N 0 3 241.306 2.083 10 0 BEAEHN CC(C)Oc1ccc([C@@H](N)Cn2cccn2)cc1 ZINC000023066868 167300122 /nfs/dbraw/zinc/30/01/22/167300122.db2.gz PBRVAHHAHQBGQT-AWEZNQCLSA-N 0 3 245.326 2.370 10 0 BEAEHN CC(C)Oc1ccc([C@H]2CNCCO2)cc1 ZINC000037405131 167301290 /nfs/dbraw/zinc/30/12/90/167301290.db2.gz MMKDZSXHHKYOKM-CYBMUJFWSA-N 0 3 221.300 2.135 10 0 BEAEHN CC(C)Oc1ccc([C@H](N)Cn2cccn2)cc1 ZINC000023066870 167301353 /nfs/dbraw/zinc/30/13/53/167301353.db2.gz PBRVAHHAHQBGQT-CQSZACIVSA-N 0 3 245.326 2.370 10 0 BEAEHN CC(C)Oc1ncc(Br)cc1CN ZINC000051526513 167313855 /nfs/dbraw/zinc/31/38/55/167313855.db2.gz PBVSNTIGJCMASP-UHFFFAOYSA-N 0 3 245.120 2.090 10 0 BEAEHN CC(C)[C@@H](C)N(C)C(=O)c1cccc(CN)c1 ZINC000036786597 167365314 /nfs/dbraw/zinc/36/53/14/167365314.db2.gz CFGDZUAMKJJOKZ-LLVKDONJSA-N 0 3 234.343 2.262 10 0 BEAEHN CC(C)[C@@H](C)N(C)c1nc2ccccn2c1CN ZINC000036787798 167370213 /nfs/dbraw/zinc/37/02/13/167370213.db2.gz HQXSALNQMNQPBA-LLVKDONJSA-N 0 3 246.358 2.274 10 0 BEAEHN CC(C)[C@@H](C)NCC(=O)Nc1ccccc1F ZINC000020302413 167379976 /nfs/dbraw/zinc/37/99/76/167379976.db2.gz WTEJDQQFYVZMRT-SNVBAGLBSA-N 0 3 238.306 2.398 10 0 BEAEHN CC(C)[C@@H](CN(C)C)N[C@@H](C)c1ccccn1 ZINC000049195682 167395878 /nfs/dbraw/zinc/39/58/78/167395878.db2.gz GHNVCADAYLPREW-GXTWGEPZSA-N 0 3 235.375 2.318 10 0 BEAEHN Cc1cc(F)ccc1CN1C[C@@H](O)CC[C@@H]1C ZINC000399175689 411022232 /nfs/dbraw/zinc/02/22/32/411022232.db2.gz AZNVNJRLQPNOQR-FZMZJTMJSA-N 0 3 237.318 2.479 10 0 BEAEHN CC[C@@H](NC(=O)C1(N)CCCCC1)C(C)C ZINC000042592903 411022415 /nfs/dbraw/zinc/02/24/15/411022415.db2.gz DZPCRFNYGLSKBT-LLVKDONJSA-N 0 3 226.364 2.199 10 0 BEAEHN Cc1cc(CNCCCC(F)(F)F)on1 ZINC000123594294 411159599 /nfs/dbraw/zinc/15/95/99/411159599.db2.gz IKNCWNPEODRPBG-UHFFFAOYSA-N 0 3 222.210 2.415 10 0 BEAEHN CC(C)c1nn(C)cc1CN[C@H]1C[C@@H]1C ZINC000052274799 167698765 /nfs/dbraw/zinc/69/87/65/167698765.db2.gz KOLRUTCECKSXEC-ONGXEEELSA-N 0 3 207.321 2.042 10 0 BEAEHN CC[C@H](NC(=O)[C@H](CN)c1ccccc1)C(C)C ZINC000061612838 411169794 /nfs/dbraw/zinc/16/97/94/411169794.db2.gz NSJVHXJRBHKPAH-KGLIPLIRSA-N 0 3 248.370 2.280 10 0 BEAEHN O[C@@H]1CCC[C@H]1CN[C@@H]1CCCc2cccnc21 ZINC000217745156 411184657 /nfs/dbraw/zinc/18/46/57/411184657.db2.gz YLKZHVVXMKYAGG-BFHYXJOUSA-N 0 3 246.354 2.210 10 0 BEAEHN OCC1CC(N[C@H]2CCCc3ccc(O)cc32)C1 ZINC000658353326 411244012 /nfs/dbraw/zinc/24/40/12/411244012.db2.gz LRJHSIYJEZAKHH-QHAMSDLMSA-N 0 3 247.338 2.130 10 0 BEAEHN c1csc(-c2ccc(N3CCNCC3)nc2)c1 ZINC000049833843 411247060 /nfs/dbraw/zinc/24/70/60/411247060.db2.gz WBRBMPJQBUSADT-UHFFFAOYSA-N 0 3 245.351 2.220 10 0 BEAEHN COc1ccc(C)cc1[C@H](C)NC1CC(CO)C1 ZINC000658352091 411355442 /nfs/dbraw/zinc/35/54/42/411355442.db2.gz SKRXSDNGEJEIGF-HIFPTAJRSA-N 0 3 249.354 2.425 10 0 BEAEHN CC1CCC(NC(=O)[C@@H]2CCC[C@H](C)N2)CC1 ZINC000019506517 168161637 /nfs/dbraw/zinc/16/16/37/168161637.db2.gz HBGVDUCNWCTXBC-MVKMKZAISA-N 0 3 238.375 2.212 10 0 BEAEHN CC1CCN([C@@H](CN)c2ccsc2)CC1 ZINC000022175278 168187089 /nfs/dbraw/zinc/18/70/89/168187089.db2.gz PUBJOMJWVIUMEB-LBPRGKRZSA-N 0 3 224.373 2.480 10 0 BEAEHN CCC(C)(C)NC(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000122859285 168290688 /nfs/dbraw/zinc/29/06/88/168290688.db2.gz ZSWIVCHOMKNQKM-NWDGAFQWSA-N 0 3 240.391 2.269 10 0 BEAEHN CCC(C)(C)Oc1nnc(C)c(C)c1CN ZINC000040290584 168304632 /nfs/dbraw/zinc/30/46/32/168304632.db2.gz BPWOMXMWGZDOKV-UHFFFAOYSA-N 0 3 223.320 2.120 10 0 BEAEHN c1nc(C2CCC2)sc1CN[C@@H]1CCOC1 ZINC000125871329 411405731 /nfs/dbraw/zinc/40/57/31/411405731.db2.gz XBYYDPXZLROGCS-SNVBAGLBSA-N 0 3 238.356 2.289 10 0 BEAEHN CCN(CCOC)c1ccccc1CNC1CC1 ZINC000042493998 169866925 /nfs/dbraw/zinc/86/69/25/169866925.db2.gz IINLPWDGTICROF-UHFFFAOYSA-N 0 3 248.370 2.411 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc(Cl)s1 ZINC000083357745 170001130 /nfs/dbraw/zinc/00/11/30/170001130.db2.gz VSFWSQMZPPHCIT-MRVPVSSYSA-N 0 3 230.764 2.368 10 0 BEAEHN CCN1CC[C@H](N[C@H](C)c2ccc(C)o2)C1 ZINC000328355342 170022051 /nfs/dbraw/zinc/02/20/51/170022051.db2.gz OTQWKQQFLALOQA-NEPJUHHUSA-N 0 3 222.332 2.333 10 0 BEAEHN CCNC(=O)CCN[C@H](C)c1ccc(C)cc1C ZINC000135715187 170052935 /nfs/dbraw/zinc/05/29/35/170052935.db2.gz AGWICEVDYCEUGP-CYBMUJFWSA-N 0 3 248.370 2.480 10 0 BEAEHN CCNC(=O)CN[C@H](C)c1cc(C)ccc1C ZINC000035138924 170066039 /nfs/dbraw/zinc/06/60/39/170066039.db2.gz SOIFBFXEYZXGCO-GFCCVEGCSA-N 0 3 234.343 2.090 10 0 BEAEHN CCNC(C)(C)C(=O)N1CCCc2ccccc21 ZINC000061287878 170105960 /nfs/dbraw/zinc/10/59/60/170105960.db2.gz SFCNEZHRHGCLJD-UHFFFAOYSA-N 0 3 246.354 2.354 10 0 BEAEHN CCNC(C)(C)c1nc2c(s1)CCC2 ZINC000041061247 170107174 /nfs/dbraw/zinc/10/71/74/170107174.db2.gz JBYSHUWJTHKYRE-UHFFFAOYSA-N 0 3 210.346 2.476 10 0 BEAEHN CCNCC(=O)c1c[nH]c2c1cccc2F ZINC000082598130 170109685 /nfs/dbraw/zinc/10/96/85/170109685.db2.gz ZEXNKBSSERESLD-UHFFFAOYSA-N 0 3 220.247 2.099 10 0 BEAEHN CCNCc1cc(-c2cnn(C)c2)ccc1OC ZINC000038073130 170124328 /nfs/dbraw/zinc/12/43/28/170124328.db2.gz DSPUOXSQVKQWFB-UHFFFAOYSA-N 0 3 245.326 2.205 10 0 BEAEHN CCNCc1cc(C)ccc1O[C@@H]1CCC[C@H]1O ZINC000071403911 170125019 /nfs/dbraw/zinc/12/50/19/170125019.db2.gz MSPQSAMPCBCCSI-UKRRQHHQSA-N 0 3 249.354 2.397 10 0 BEAEHN CCNCc1cc(C)nc(C(C)(C)C)n1 ZINC000054831122 170125582 /nfs/dbraw/zinc/12/55/82/170125582.db2.gz IATPLKFPJMOAEO-UHFFFAOYSA-N 0 3 207.321 2.192 10 0 BEAEHN CCNCc1cc2c(cc1OCC1CC1)OCO2 ZINC000042874583 170125607 /nfs/dbraw/zinc/12/56/07/170125607.db2.gz CEXVVESTOOAARF-UHFFFAOYSA-N 0 3 249.310 2.314 10 0 BEAEHN CCNCc1cc(C)ccc1O[C@H]1CCC[C@H]1O ZINC000071403912 170125743 /nfs/dbraw/zinc/12/57/43/170125743.db2.gz MSPQSAMPCBCCSI-HIFRSBDPSA-N 0 3 249.354 2.397 10 0 BEAEHN CCNCc1ccc(OCC)c(NC(C)=O)c1 ZINC000098126148 170127118 /nfs/dbraw/zinc/12/71/18/170127118.db2.gz OCUAKBLKNPNINZ-UHFFFAOYSA-N 0 3 236.315 2.153 10 0 BEAEHN CCNCc1cnn(-c2cccc(OC)c2)c1C ZINC000082661339 170130199 /nfs/dbraw/zinc/13/01/99/170130199.db2.gz QACYBWUBJDHEJM-UHFFFAOYSA-N 0 3 245.326 2.299 10 0 BEAEHN CCNCc1cnn(C2CCCCC2)c1 ZINC000040538496 170130227 /nfs/dbraw/zinc/13/02/27/170130227.db2.gz FKFCIWVRENASBA-UHFFFAOYSA-N 0 3 207.321 2.498 10 0 BEAEHN CCNCc1cnc(-n2cccn2)c(Cl)c1 ZINC000051489111 170130914 /nfs/dbraw/zinc/13/09/14/170130914.db2.gz WLSRIRNWMWPAGN-UHFFFAOYSA-N 0 3 236.706 2.030 10 0 BEAEHN CCNCc1nc(-n2ccnc2)ccc1Cl ZINC000051489927 170131477 /nfs/dbraw/zinc/13/14/77/170131477.db2.gz BUJNUSPKVRECMJ-UHFFFAOYSA-N 0 3 236.706 2.030 10 0 BEAEHN CCN[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000049648535 170152682 /nfs/dbraw/zinc/15/26/82/170152682.db2.gz GHQFUGGGPYSNLC-SNVBAGLBSA-N 0 3 238.718 2.055 10 0 BEAEHN CCN[C@@H]1CCN([C@H](C)C2CCCCC2)C1=O ZINC000052340301 170152852 /nfs/dbraw/zinc/15/28/52/170152852.db2.gz GWCOSLTZKUWRCM-DGCLKSJQSA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647805 170153058 /nfs/dbraw/zinc/15/30/58/170153058.db2.gz TVITXTMREFHYGO-GFCCVEGCSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@@H]1CC[S@](=O)c2c(C)ccc(C)c21 ZINC000040974416 170153405 /nfs/dbraw/zinc/15/34/05/170153405.db2.gz FGXHCGGUUBNRNP-BDJLRTHQSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@@H]1CCc2c1c(OC)ccc2OC ZINC000042405284 170154323 /nfs/dbraw/zinc/15/43/23/170154323.db2.gz YMLKJZVSTYQANL-SNVBAGLBSA-N 0 3 221.300 2.301 10 0 BEAEHN CCN[C@@H]1c2cc(F)cc(F)c2O[C@H]1C ZINC000043633998 170155494 /nfs/dbraw/zinc/15/54/94/170155494.db2.gz ROERELUNIAYFDG-WKEGUHRASA-N 0 3 213.227 2.396 10 0 BEAEHN CCN[C@H](C)c1cnc([C@H]2CCOC2)s1 ZINC000054160285 170160004 /nfs/dbraw/zinc/16/00/04/170160004.db2.gz JDLMJPCCHKUQMK-BDAKNGLRSA-N 0 3 226.345 2.318 10 0 BEAEHN CCN[C@H](C)c1cnc(C2CC2)nc1C ZINC000054962955 170160463 /nfs/dbraw/zinc/16/04/63/170160463.db2.gz YCUZNEBWFUKGTQ-MRVPVSSYSA-N 0 3 205.305 2.333 10 0 BEAEHN CCN[C@H](CC)C(=O)c1ccc(OC)c(F)c1 ZINC000071549326 170161175 /nfs/dbraw/zinc/16/11/75/170161175.db2.gz PWRWDUBYEHIPPC-LLVKDONJSA-N 0 3 239.290 2.405 10 0 BEAEHN O[C@@H]1CCCC[C@H]1N1CC2(C1)CC(F)(F)C2 ZINC000660146522 411545465 /nfs/dbraw/zinc/54/54/65/411545465.db2.gz GYDQSUARPPJDND-NXEZZACHSA-N 0 3 231.286 2.021 10 0 BEAEHN CCN[C@H](CO[C@H]1CCOC1)c1ccccc1 ZINC000104102766 170162469 /nfs/dbraw/zinc/16/24/69/170162469.db2.gz NTNFBYCYLBXAKV-UONOGXRCSA-N 0 3 235.327 2.143 10 0 BEAEHN CCN[C@@H](c1cnn(C)c1)c1ccc(C)cc1 ZINC000035556142 170163103 /nfs/dbraw/zinc/16/31/03/170163103.db2.gz XETBMNLARORATK-CQSZACIVSA-N 0 3 229.327 2.427 10 0 BEAEHN CCN[C@H](c1ccc(C)cc1)[C@@H]1COCCO1 ZINC000055299916 170163311 /nfs/dbraw/zinc/16/33/11/170163311.db2.gz BQQSAMNZRBMDAC-UONOGXRCSA-N 0 3 235.327 2.061 10 0 BEAEHN CCN[C@@H](c1cccs1)c1cncnc1 ZINC000052886961 170164928 /nfs/dbraw/zinc/16/49/28/170164928.db2.gz NZYSJLVVIDRHPG-LLVKDONJSA-N 0 3 219.313 2.237 10 0 BEAEHN CCN[C@H]1CCC[S@@](=O)c2ccccc21 ZINC000040973539 170166758 /nfs/dbraw/zinc/16/67/58/170166758.db2.gz DPGLLIVATZYEFP-NHYWBVRUSA-N 0 3 223.341 2.239 10 0 BEAEHN CCN[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647878 170167434 /nfs/dbraw/zinc/16/74/34/170167434.db2.gz DIAJPDSZOFFGCX-ZDUSSCGKSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@H]1CC[S@@](=O)c2c(C)cc(C)cc21 ZINC000040974643 170168613 /nfs/dbraw/zinc/16/86/13/170168613.db2.gz UCRWJDFIRPRYKE-LRDDRELGSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@H]1CC[S@@](=O)c2ccc(C)cc21 ZINC000040974873 170168787 /nfs/dbraw/zinc/16/87/87/170168787.db2.gz IUMIFEIDZNCFKY-NHYWBVRUSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@H]1CC[S@](=O)c2ccc(C)cc21 ZINC000040974877 170168976 /nfs/dbraw/zinc/16/89/76/170168976.db2.gz IUMIFEIDZNCFKY-XHDPSFHLSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@H]1c2cc(F)cc(F)c2O[C@@H]1C ZINC000043633995 170169534 /nfs/dbraw/zinc/16/95/34/170169534.db2.gz ROERELUNIAYFDG-LHLIQPBNSA-N 0 3 213.227 2.396 10 0 BEAEHN CCNc1c(CN)cnc2ccccc21 ZINC000050423083 170171201 /nfs/dbraw/zinc/17/12/01/170171201.db2.gz YEPCHFACWCPXSV-UHFFFAOYSA-N 0 3 201.273 2.125 10 0 BEAEHN CCNc1ncccc1CN1CCC[C@H]1C ZINC000052709418 170178690 /nfs/dbraw/zinc/17/86/90/170178690.db2.gz SDOKMRPUHVSAEW-LLVKDONJSA-N 0 3 219.332 2.498 10 0 BEAEHN CCOC(=O)CCNCc1cc(C)cc(C)c1 ZINC000045689277 170208821 /nfs/dbraw/zinc/20/88/21/170208821.db2.gz GCDGYNLYFDOXCF-UHFFFAOYSA-N 0 3 235.327 2.346 10 0 BEAEHN CCOC(=O)N[C@@H](CN)c1ccc(C)cc1C ZINC000019421455 170242552 /nfs/dbraw/zinc/24/25/52/170242552.db2.gz WKCSAYSVBQZJAR-LBPRGKRZSA-N 0 3 236.315 2.049 10 0 BEAEHN CCOC(=O)[C@]1(c2ccccc2)CCCN(C)C1 ZINC000005857173 170286799 /nfs/dbraw/zinc/28/67/99/170286799.db2.gz KYWYUHIJUSFICD-OAHLLOKOSA-N 0 3 247.338 2.213 10 0 BEAEHN CCOCCCn1c2ccccc2nc1[C@@H](C)N ZINC000040163837 170385864 /nfs/dbraw/zinc/38/58/64/170385864.db2.gz GDSZQXBRDAJTHQ-LLVKDONJSA-N 0 3 247.342 2.483 10 0 BEAEHN OCC1CC(NCc2ccc(Cl)cc2F)C1 ZINC000657811415 411602772 /nfs/dbraw/zinc/60/27/72/411602772.db2.gz WTLRLYIZOZJNNQ-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN OCC1CC(NCc2ccc(Cl)s2)C1 ZINC000657813439 411603789 /nfs/dbraw/zinc/60/37/89/411603789.db2.gz YCUVECDIUUXDFY-UHFFFAOYSA-N 0 3 231.748 2.262 10 0 BEAEHN CCCc1nccnc1N[C@@H]1CCN(C2CC2)C1 ZINC000663450369 411659025 /nfs/dbraw/zinc/65/90/25/411659025.db2.gz YBJQVKSCHJVPSO-LLVKDONJSA-N 0 3 246.358 2.078 10 0 BEAEHN CCOc1ccc([C@H](N)[C@@H]2CCCO2)cc1 ZINC000019967431 170563560 /nfs/dbraw/zinc/56/35/60/170563560.db2.gz GDTXCZKNXWTUED-STQMWFEESA-N 0 3 221.300 2.264 10 0 BEAEHN CC[C@@H](C)Oc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000051781091 170766657 /nfs/dbraw/zinc/76/66/57/170766657.db2.gz ONGNFWCYQBWAEL-NXEZZACHSA-N 0 3 236.315 2.150 10 0 BEAEHN O[C@@H]1CCC[C@H]1N1CCC[C@@H](C(F)(F)F)C1 ZINC000219730984 411874025 /nfs/dbraw/zinc/87/40/25/411874025.db2.gz XEMWEZRUPFQHHY-OPRDCNLKSA-N 0 3 237.265 2.174 10 0 BEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1cccs1)C(F)(F)F ZINC000062784770 170868842 /nfs/dbraw/zinc/86/88/42/170868842.db2.gz PLDGHWSDAKNDGN-SVRRBLITSA-N 0 3 239.262 2.235 10 0 BEAEHN Cc1cc(NC2CC(CO)C2)c2ccccc2n1 ZINC000664646538 412005378 /nfs/dbraw/zinc/00/53/78/412005378.db2.gz XRZCRLTXBHIFKS-UHFFFAOYSA-N 0 3 242.322 2.148 10 0 BEAEHN CC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1 ZINC000095642335 171067476 /nfs/dbraw/zinc/06/74/76/171067476.db2.gz CDKIKMMLXSNKCO-GHMZBOCLSA-N 0 3 242.363 2.384 10 0 BEAEHN CC[C@@H]1CN(C[C@H](N)c2ccccc2C)CCO1 ZINC000036769668 171086554 /nfs/dbraw/zinc/08/65/54/171086554.db2.gz WYQOZMWJTYHZPS-HIFRSBDPSA-N 0 3 248.370 2.106 10 0 BEAEHN CC[C@@H]1CN([C@@H](CN)c2ccccc2C)CCO1 ZINC000036769406 171094924 /nfs/dbraw/zinc/09/49/24/171094924.db2.gz RNFSPDWKSYWKHO-HIFRSBDPSA-N 0 3 248.370 2.106 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccccc2OC)CN1 ZINC000036986293 171114301 /nfs/dbraw/zinc/11/43/01/171114301.db2.gz FQGOSVGDJSCOBV-MFKMUULPSA-N 0 3 221.300 2.135 10 0 BEAEHN CC[C@H](C(=O)N[C@@H](C)c1ccc(C)o1)N(C)C ZINC000124796104 171232142 /nfs/dbraw/zinc/23/21/42/171232142.db2.gz GAZZISYFTCJVRH-WDEREUQCSA-N 0 3 238.331 2.105 10 0 BEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1cc(C)ccc1C ZINC000038065559 171346986 /nfs/dbraw/zinc/34/69/86/171346986.db2.gz HTEFIOPRAMRWAB-SWLSCSKDSA-N 0 3 248.370 2.392 10 0 BEAEHN CC[C@H](C)N[C@H](C(N)=O)c1ccc(C)cc1C ZINC000038064891 171348053 /nfs/dbraw/zinc/34/80/53/171348053.db2.gz KVPGMAGJCMUWNE-AAEUAGOBSA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@H](C)Oc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000051781092 171356014 /nfs/dbraw/zinc/35/60/14/171356014.db2.gz ONGNFWCYQBWAEL-VHSXEESVSA-N 0 3 236.315 2.150 10 0 BEAEHN CC[C@H](C)Oc1cc2c(cc1CNC)OCO2 ZINC000042874078 171356028 /nfs/dbraw/zinc/35/60/28/171356028.db2.gz CKPOBSGONPPVQT-VIFPVBQESA-N 0 3 237.299 2.312 10 0 BEAEHN CC[C@H](O)CN1CCC(c2nccs2)CC1 ZINC000373952989 171565744 /nfs/dbraw/zinc/56/57/44/171565744.db2.gz AHVSXEVMMMCBKR-NSHDSACASA-N 0 3 240.372 2.093 10 0 BEAEHN CCC[C@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000662630660 412250627 /nfs/dbraw/zinc/25/06/27/412250627.db2.gz HHNQUIDLXYEXEI-ZDUSSCGKSA-N 0 3 238.375 2.153 10 0 BEAEHN CCC[C@@H](N)C(=O)N(CC)Cc1ccc(C)cc1 ZINC000662862403 412328338 /nfs/dbraw/zinc/32/83/38/412328338.db2.gz NIIVEHWLRKNUNK-CQSZACIVSA-N 0 3 248.370 2.471 10 0 BEAEHN CC[C@H]1NCCc2cc(OC)cc(OC)c21 ZINC000052095451 171682590 /nfs/dbraw/zinc/68/25/90/171682590.db2.gz RZRLAWOWVDYSIY-LLVKDONJSA-N 0 3 221.300 2.301 10 0 BEAEHN CCc1ccc([C@H](N)COCCCOC)cc1 ZINC000037747195 171842397 /nfs/dbraw/zinc/84/23/97/171842397.db2.gz NWNGQNNCRLYROK-CQSZACIVSA-N 0 3 237.343 2.302 10 0 BEAEHN CCc1nc([C@@H](N)C2CCOCC2)sc1C ZINC000052179415 172002888 /nfs/dbraw/zinc/00/28/88/172002888.db2.gz VTEATWNJLSSZTL-NSHDSACASA-N 0 3 240.372 2.440 10 0 BEAEHN CCc1ncc2c(n1)CC(C)(C)C[C@@H]2N ZINC000050094198 172023918 /nfs/dbraw/zinc/02/39/18/172023918.db2.gz JQAJYNXTFFOUSJ-VIFPVBQESA-N 0 3 205.305 2.011 10 0 BEAEHN CCn1c2cc(C)ccc2cc(CNC)c1=O ZINC000039286964 172131748 /nfs/dbraw/zinc/13/17/48/172131748.db2.gz DUAVCNVJTRJVRZ-UHFFFAOYSA-N 0 3 230.311 2.049 10 0 BEAEHN CCn1c(CNCCCOC)nc2ccccc21 ZINC000038046674 172144932 /nfs/dbraw/zinc/14/49/32/172144932.db2.gz ZELXPRLYSFTORA-UHFFFAOYSA-N 0 3 247.342 2.182 10 0 BEAEHN CCn1cc(C2CCN(CCCF)CC2)cn1 ZINC000125727733 172159237 /nfs/dbraw/zinc/15/92/37/172159237.db2.gz YIHYMLDMWJPQGA-UHFFFAOYSA-N 0 3 239.338 2.442 10 0 BEAEHN CCn1cc([C@@](C)(N)c2ccccc2)cn1 ZINC000043467800 172196332 /nfs/dbraw/zinc/19/63/32/172196332.db2.gz XNDCHOHNQVQQLD-ZDUSSCGKSA-N 0 3 215.300 2.125 10 0 BEAEHN CCn1cc([C@H](N)c2cccc(C)c2)cn1 ZINC000043469272 172198749 /nfs/dbraw/zinc/19/87/49/172198749.db2.gz HLJLLOPSRWFJHE-CYBMUJFWSA-N 0 3 215.300 2.260 10 0 BEAEHN CCn1cccc1CN[C@H](C)[C@H]1CCCO1 ZINC000085608589 172209690 /nfs/dbraw/zinc/20/96/90/172209690.db2.gz SNQABDQTSKTGMB-DGCLKSJQSA-N 0 3 222.332 2.165 10 0 BEAEHN CCn1nccc1CNCCC1=CCCC1 ZINC000120166935 172270608 /nfs/dbraw/zinc/27/06/08/172270608.db2.gz MXYPXDXMLMJFIL-UHFFFAOYSA-N 0 3 219.332 2.493 10 0 BEAEHN CN1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000076641903 173021612 /nfs/dbraw/zinc/02/16/12/173021612.db2.gz VDPBYOPAUHUDQB-GFCCVEGCSA-N 0 3 208.280 2.332 10 0 BEAEHN CN1CC[C@@H](Nc2ccc(OC(F)F)cc2)C1 ZINC000061984722 173126093 /nfs/dbraw/zinc/12/60/93/173126093.db2.gz GDECNLVXZWIBRO-SNVBAGLBSA-N 0 3 242.269 2.404 10 0 BEAEHN CN1CC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000061984628 173126579 /nfs/dbraw/zinc/12/65/79/173126579.db2.gz WGIJJKCLLZFPQO-SECBINFHSA-N 0 3 212.243 2.081 10 0 BEAEHN CN1[C@@H]2CC[C@H]1CC=C2c1cccnc1 ZINC000026178752 173205045 /nfs/dbraw/zinc/20/50/45/173205045.db2.gz MKVMJKIOMVPWCL-DGCLKSJQSA-N 0 3 200.285 2.332 10 0 BEAEHN CNC(=O)CN[C@H]1c2ccccc2CCC1(C)C ZINC000156726347 173278529 /nfs/dbraw/zinc/27/85/29/173278529.db2.gz QSLWXYIXCCAODI-AWEZNQCLSA-N 0 3 246.354 2.036 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@@H](C)c1c(C)cc(C)cc1C ZINC000042560581 173294965 /nfs/dbraw/zinc/29/49/65/173294965.db2.gz FPPDGPPGRCFVSU-QWHCGFSZSA-N 0 3 248.370 2.397 10 0 BEAEHN CNC(=O)[C@H](C)NC[C@H](c1ccccc1)C(C)C ZINC000234343864 173302363 /nfs/dbraw/zinc/30/23/63/173302363.db2.gz LIYXTHBEYKGFDY-JSGCOSHPSA-N 0 3 248.370 2.150 10 0 BEAEHN CNC(=O)[C@H]1CCCN1C[C@H](C)c1ccccc1 ZINC000116877802 173307141 /nfs/dbraw/zinc/30/71/41/173307141.db2.gz TZFUDBATHCIKOB-GXTWGEPZSA-N 0 3 246.354 2.001 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cccc(C)c1C ZINC000061300236 173318737 /nfs/dbraw/zinc/31/87/37/173318737.db2.gz SYABPTJFWMYMFL-UHFFFAOYSA-N 0 3 220.316 2.240 10 0 BEAEHN CNCC(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000083906077 173326519 /nfs/dbraw/zinc/32/65/19/173326519.db2.gz QVHCYFQXMPYPBF-AWEZNQCLSA-N 0 3 246.354 2.186 10 0 BEAEHN CNC[C@H](O)c1cc2cc(Cl)ccc2o1 ZINC000083048785 173376463 /nfs/dbraw/zinc/37/64/63/173376463.db2.gz NAWKHDGCPHCBHQ-VIFPVBQESA-N 0 3 225.675 2.339 10 0 BEAEHN CNCc1c(C)cc(C)nc1N1CCCC1 ZINC000051399132 173384094 /nfs/dbraw/zinc/38/40/94/173384094.db2.gz QHXOLWFQSYZRSA-UHFFFAOYSA-N 0 3 219.332 2.018 10 0 BEAEHN CNCc1c(C)cc(C)nc1N1CC[C@H](C)C1 ZINC000051448422 173384411 /nfs/dbraw/zinc/38/44/11/173384411.db2.gz NZDQJSPRKBWKMJ-JTQLQIEISA-N 0 3 233.359 2.264 10 0 BEAEHN CNCc1cc(C)nc(-c2ccsc2)n1 ZINC000054830863 173385773 /nfs/dbraw/zinc/38/57/73/173385773.db2.gz WLLHTBCFKRRORX-UHFFFAOYSA-N 0 3 219.313 2.233 10 0 BEAEHN CNCc1ccc(OCc2ccccc2)cn1 ZINC000084193559 173389034 /nfs/dbraw/zinc/38/90/34/173389034.db2.gz VPAIRBQZGYSZBA-UHFFFAOYSA-N 0 3 228.295 2.380 10 0 BEAEHN CNCc1cccnc1N(C)C1CCCC1 ZINC000051439031 173390547 /nfs/dbraw/zinc/39/05/47/173390547.db2.gz DOMFXGBZAGIZSK-UHFFFAOYSA-N 0 3 219.332 2.180 10 0 BEAEHN CNCc1ccnc(-c2ccccc2C)n1 ZINC000045206115 173390932 /nfs/dbraw/zinc/39/09/32/173390932.db2.gz TYODTAWNBUUTEZ-UHFFFAOYSA-N 0 3 213.284 2.171 10 0 BEAEHN CNCc1ccnc(-c2ccc(F)cc2)n1 ZINC000054791180 173391810 /nfs/dbraw/zinc/39/18/10/173391810.db2.gz RKGUWAOTKFUXCG-UHFFFAOYSA-N 0 3 217.247 2.002 10 0 BEAEHN CNCc1cnc(-c2ccc(F)cc2)nc1 ZINC000054855532 173392036 /nfs/dbraw/zinc/39/20/36/173392036.db2.gz KFUVVNUYNVWVAZ-UHFFFAOYSA-N 0 3 217.247 2.002 10 0 BEAEHN CNCc1cnc(COc2ccccc2)s1 ZINC000054438075 173392063 /nfs/dbraw/zinc/39/20/63/173392063.db2.gz JPTTWMHFNLBUBO-UHFFFAOYSA-N 0 3 234.324 2.442 10 0 BEAEHN CNCc1cnc(N2CCC[C@H](C)[C@H]2C)s1 ZINC000054905206 173392263 /nfs/dbraw/zinc/39/22/63/173392263.db2.gz JJSPFEMPNXHABS-VHSXEESVSA-N 0 3 239.388 2.487 10 0 BEAEHN CNCc1cnc([C@@H]2CCC[C@H](C)C2)nc1 ZINC000054855486 173392545 /nfs/dbraw/zinc/39/25/45/173392545.db2.gz DVQHRLRSCWARSX-CMPLNLGQSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cnn(-c2ccccc2F)c1C ZINC000020439437 173393089 /nfs/dbraw/zinc/39/30/89/173393089.db2.gz BMSKZJQGOAOZRQ-UHFFFAOYSA-N 0 3 219.263 2.039 10 0 BEAEHN CNCc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000054719126 173393637 /nfs/dbraw/zinc/39/36/37/173393637.db2.gz TZCXKJDZACLPNL-UHFFFAOYSA-N 0 3 235.718 2.304 10 0 BEAEHN CNCc1nc(-c2ccccc2)c(C)[nH]1 ZINC000036877281 173394786 /nfs/dbraw/zinc/39/47/86/173394786.db2.gz LGIHGUFKCXSRKG-UHFFFAOYSA-N 0 3 201.273 2.105 10 0 BEAEHN CNCc1nc2cc(OC)ccc2n1C(C)C ZINC000076044034 173396171 /nfs/dbraw/zinc/39/61/71/173396171.db2.gz GBZDMZRHXHZXRN-UHFFFAOYSA-N 0 3 233.315 2.345 10 0 BEAEHN CNCc1nc(-c2ccc(C)c(C)c2)c[nH]1 ZINC000036877207 173397748 /nfs/dbraw/zinc/39/77/48/173397748.db2.gz JUWUEZJRARVNNR-UHFFFAOYSA-N 0 3 215.300 2.413 10 0 BEAEHN CN[C@H](c1ccc(C)o1)C1CCOCC1 ZINC000061672219 173456377 /nfs/dbraw/zinc/45/63/77/173456377.db2.gz RFJJTJJDVAHYOZ-LBPRGKRZSA-N 0 3 209.289 2.275 10 0 BEAEHN CN[C@H]1c2cc(OC)ccc2S[C@@H]1C ZINC000043635780 173468860 /nfs/dbraw/zinc/46/88/60/173468860.db2.gz ZSUSJAPGVVAWIF-RDDDGLTNSA-N 0 3 209.314 2.450 10 0 BEAEHN CN[C@](C)(CO)c1cc(Cl)ccc1Cl ZINC000038121109 173469579 /nfs/dbraw/zinc/46/95/79/173469579.db2.gz NTDKUSAIFDGSTC-SNVBAGLBSA-N 0 3 234.126 2.420 10 0 BEAEHN COCCCCN(C)Cc1ccc(C)o1 ZINC000117870800 174187258 /nfs/dbraw/zinc/18/72/58/174187258.db2.gz NHFXTYWCENZKNI-UHFFFAOYSA-N 0 3 211.305 2.446 10 0 BEAEHN COCCCOC[C@H](N)c1cc(C)ccc1C ZINC000037747142 174254939 /nfs/dbraw/zinc/25/49/39/174254939.db2.gz TXBNSXFEECQVCT-AWEZNQCLSA-N 0 3 237.343 2.356 10 0 BEAEHN COCCCO[C@@H]1CCCc2ccccc2[C@H]1N ZINC000037747115 174256041 /nfs/dbraw/zinc/25/60/41/174256041.db2.gz HEMSXNJOFRNSBH-HUUCEWRRSA-N 0 3 249.354 2.444 10 0 BEAEHN COCCN(CCNc1ccccc1)C1CC1 ZINC000042519631 174291834 /nfs/dbraw/zinc/29/18/34/174291834.db2.gz RUNSBQDUHRBZAX-UHFFFAOYSA-N 0 3 234.343 2.209 10 0 BEAEHN COCCN(C[C@](C)(O)c1ccccc1)C1CC1 ZINC000052097254 174297373 /nfs/dbraw/zinc/29/73/73/174297373.db2.gz BNWZBQHFZXQZJZ-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN COCCOCc1cc(CNC2CC2)oc1C ZINC000052628346 174364098 /nfs/dbraw/zinc/36/40/98/174364098.db2.gz RZRFXFYXGJJHCW-UHFFFAOYSA-N 0 3 239.315 2.003 10 0 BEAEHN COCC[C@@H](N)c1cc2ccccc2o1 ZINC000062797572 174392687 /nfs/dbraw/zinc/39/26/87/174392687.db2.gz PBLLFJBUUSYKQE-SNVBAGLBSA-N 0 3 205.257 2.469 10 0 BEAEHN CO[C@H]1CN[C@H](c2nc3ccccc3s2)C1 ZINC000019487308 174900509 /nfs/dbraw/zinc/90/05/09/174900509.db2.gz UXPXTYSFBYCYJH-SCZZXKLOSA-N 0 3 234.324 2.346 10 0 BEAEHN COc1ccc(-c2cccnc2)cc1CN ZINC000038069878 175035329 /nfs/dbraw/zinc/03/53/29/175035329.db2.gz AWUHWAUTRXVVHH-UHFFFAOYSA-N 0 3 214.268 2.216 10 0 BEAEHN COc1ccc(Br)cc1[C@H](C)N ZINC000003705504 175051276 /nfs/dbraw/zinc/05/12/76/175051276.db2.gz RLQGTCFNDMNKTC-LURJTMIESA-N 0 3 230.105 2.477 10 0 BEAEHN COc1ccc(C)cc1[C@@H]1CNC[C@@H](C2CC2)O1 ZINC000071308784 175079854 /nfs/dbraw/zinc/07/98/54/175079854.db2.gz JSLYVZGIWCYUOP-GJZGRUSLSA-N 0 3 247.338 2.443 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)CN1CCC[C@@H]1C ZINC000037910608 175080277 /nfs/dbraw/zinc/08/02/77/175080277.db2.gz IRVXNLMDNYTGGQ-JSGCOSHPSA-N 0 3 248.370 2.488 10 0 BEAEHN COc1ccc(C)cc1[C@@H]1CNC[C@@H](C)O1 ZINC000036986396 175080293 /nfs/dbraw/zinc/08/02/93/175080293.db2.gz NMYBQXPYFLOTIC-MFKMUULPSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(CNC2=N[C@@H](C)CS2)cc1 ZINC000035294671 175105591 /nfs/dbraw/zinc/10/55/91/175105591.db2.gz YNDBQODAUNFKAM-VIFPVBQESA-N 0 3 236.340 2.276 10 0 BEAEHN COc1ccc(OC)c([C@H](N)COC(C)C)c1 ZINC000019395330 175168728 /nfs/dbraw/zinc/16/87/28/175168728.db2.gz WENFNRGSWAQDRO-GFCCVEGCSA-N 0 3 239.315 2.129 10 0 BEAEHN COc1ccc([C@H](N)[C@@H]2CCCO2)c(C)c1 ZINC000019972090 175192309 /nfs/dbraw/zinc/19/23/09/175192309.db2.gz ZUMVGZPMILJQCP-STQMWFEESA-N 0 3 221.300 2.182 10 0 BEAEHN COc1ccc([C@H]2CN(C(C)C)CCN2)cc1 ZINC000077369935 175195858 /nfs/dbraw/zinc/19/58/58/175195858.db2.gz ZMWMSZIGRQBQHB-CQSZACIVSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccc2oc([C@@]3(C)CCCN3)nc2c1 ZINC000083076522 175230936 /nfs/dbraw/zinc/23/09/36/175230936.db2.gz OSANWXKQAARZBB-CYBMUJFWSA-N 0 3 232.283 2.435 10 0 BEAEHN COc1cccc(CN(C)CCC(C)=O)c1 ZINC000047979683 175255969 /nfs/dbraw/zinc/25/59/69/175255969.db2.gz FQRVJTQZFNQBQT-UHFFFAOYSA-N 0 3 221.300 2.106 10 0 BEAEHN COc1cccc(CNC2=NC[C@H](C)S2)c1 ZINC000038078035 175263772 /nfs/dbraw/zinc/26/37/72/175263772.db2.gz VPBXIWVYOVLVQX-VIFPVBQESA-N 0 3 236.340 2.276 10 0 BEAEHN COc1cccc(COc2cc(CN)ccn2)c1 ZINC000019516807 175270148 /nfs/dbraw/zinc/27/01/48/175270148.db2.gz PLUQKYJUNCSWHJ-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1cccc(NC(=O)[C@@H]2CCC[C@H](C)N2)c1 ZINC000019511022 175276958 /nfs/dbraw/zinc/27/69/58/175276958.db2.gz WSSUKRIIZLMRHS-GWCFXTLKSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1cccc([C@@H]2CN(C(C)C)CCN2)c1 ZINC000077369940 175291253 /nfs/dbraw/zinc/29/12/53/175291253.db2.gz JVGAJYDBWLHABG-AWEZNQCLSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1cccc([C@@](C)(N)c2cccnc2)c1 ZINC000037761486 175291650 /nfs/dbraw/zinc/29/16/50/175291650.db2.gz LPONNOOKCDDMPA-CQSZACIVSA-N 0 3 228.295 2.312 10 0 BEAEHN COc1cccc([C@H](N)c2cccnc2)c1 ZINC000037466378 175294632 /nfs/dbraw/zinc/29/46/32/175294632.db2.gz BTPPBEUHBACCTH-ZDUSSCGKSA-N 0 3 214.268 2.138 10 0 BEAEHN COc1cccc([C@H](N)c2cncc(F)c2)c1 ZINC000049576119 175295272 /nfs/dbraw/zinc/29/52/72/175295272.db2.gz CTBIZZXHXNBNJK-ZDUSSCGKSA-N 0 3 232.258 2.277 10 0 BEAEHN COc1ccccc1-c1cncc(CN)c1 ZINC000082642478 175309807 /nfs/dbraw/zinc/30/98/07/175309807.db2.gz MRVQXNSHURRODC-UHFFFAOYSA-N 0 3 214.268 2.216 10 0 BEAEHN COc1ccccc1CN[C@@H]1CCCC[C@@H]1CO ZINC000152307361 175330448 /nfs/dbraw/zinc/33/04/48/175330448.db2.gz BQRYUQBQCZVWMN-ZIAGYGMSSA-N 0 3 249.354 2.336 10 0 BEAEHN COc1ccccc1NC(=O)[C@H](N)CC(C)C ZINC000019507697 175336840 /nfs/dbraw/zinc/33/68/40/175336840.db2.gz JGIOGBAFIRGIJO-SNVBAGLBSA-N 0 3 236.315 2.007 10 0 BEAEHN COc1ccccc1[C@@H](N)C[C@@H]1CCCO1 ZINC000037466770 175346948 /nfs/dbraw/zinc/34/69/48/175346948.db2.gz DYTYLICZXXAQEH-JQWIXIFHSA-N 0 3 221.300 2.264 10 0 BEAEHN COc1ccccc1[C@@H](N)Cn1nc(C)cc1C ZINC000023066708 175347784 /nfs/dbraw/zinc/34/77/84/175347784.db2.gz PMLCWDKWKZWRIC-ZDUSSCGKSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccccc1[C@H](N)CN(C)CC(C)C ZINC000037108347 175353190 /nfs/dbraw/zinc/35/31/90/175353190.db2.gz FSSKDXJMNXOQOU-CYBMUJFWSA-N 0 3 236.359 2.283 10 0 BEAEHN COc1ccccc1[C@H](O)CN1CCCCC1 ZINC000019784932 175354431 /nfs/dbraw/zinc/35/44/31/175354431.db2.gz GKILLQMBDUYYPL-CYBMUJFWSA-N 0 3 235.327 2.215 10 0 BEAEHN C[C@@H](CC1CC1)NC(=O)[C@H](CN)c1ccccc1 ZINC000070534050 175655965 /nfs/dbraw/zinc/65/59/65/175655965.db2.gz OLUDZKJPJBIZAO-SMDDNHRTSA-N 0 3 246.354 2.034 10 0 BEAEHN C[C@@H](N(C)C(=O)[C@H]1CCCCN1)C(C)(C)C ZINC000037807084 175790998 /nfs/dbraw/zinc/79/09/98/175790998.db2.gz LYOYREAESZWZQI-GHMZBOCLSA-N 0 3 226.364 2.022 10 0 BEAEHN C[C@@H]([C@H](N)c1ccccc1)n1cccn1 ZINC000023069472 176011996 /nfs/dbraw/zinc/01/19/96/176011996.db2.gz QXCGMKHNKONLCC-JQWIXIFHSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@@H]1CCCC[C@H]1NCc1nccn1C ZINC000034937814 176088488 /nfs/dbraw/zinc/08/84/88/176088488.db2.gz CSUDAPHSSUXYJZ-GHMZBOCLSA-N 0 3 207.321 2.088 10 0 BEAEHN C[C@@H]1CCCC[C@H]1NCc1ccncn1 ZINC000054788661 176088799 /nfs/dbraw/zinc/08/87/99/176088799.db2.gz JETFDLPEBCNVBU-ZYHUDNBSSA-N 0 3 205.305 2.145 10 0 BEAEHN C[C@@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044117588 176103712 /nfs/dbraw/zinc/10/37/12/176103712.db2.gz GPRANTOFKJBPLY-KYOSRNDESA-N 0 3 247.338 2.213 10 0 BEAEHN C[C@@H](N)c1cnc(N2CCC[C@@H](C)C2)s1 ZINC000054864288 176103983 /nfs/dbraw/zinc/10/39/83/176103983.db2.gz ZBZQFERRNGHXCH-RKDXNWHRSA-N 0 3 225.361 2.399 10 0 BEAEHN C[C@@H]1CCCN1[C@@H](CN)c1ccc(F)c(F)c1 ZINC000037910425 176110384 /nfs/dbraw/zinc/11/03/84/176110384.db2.gz WIINAICUMDAIQJ-RNCFNFMXSA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N2CCC(C)(C)CC2)N1 ZINC000061822072 176112679 /nfs/dbraw/zinc/11/26/79/176112679.db2.gz IFAHKTSEIMZUBT-NEPJUHHUSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N(C)c2ccccc2)N1 ZINC000019480172 176134736 /nfs/dbraw/zinc/13/47/36/176134736.db2.gz RSCSVPBVYQWVLN-DGCLKSJQSA-N 0 3 232.327 2.180 10 0 BEAEHN C[C@@H]1CN(c2ccccc2Cl)N=C1N ZINC000114824426 176319711 /nfs/dbraw/zinc/31/97/11/176319711.db2.gz YOKCVNKRYVKRGP-SSDOTTSWSA-N 0 3 209.680 2.068 10 0 BEAEHN C[C@@H]1CN(c2nsc3ccccc32)CCN1 ZINC000095069525 176321413 /nfs/dbraw/zinc/32/14/13/176321413.db2.gz NDERLKDXZKSKEP-SECBINFHSA-N 0 3 233.340 2.094 10 0 BEAEHN C[C@@H]1CNC[C@@H](c2ccc(Cl)cc2)O1 ZINC000032012624 176328879 /nfs/dbraw/zinc/32/88/79/176328879.db2.gz ZPPLDXZOMDZUSQ-KCJUWKMLSA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1CNC[C@H](c2ccc(F)cc2F)O1 ZINC000036673236 176330195 /nfs/dbraw/zinc/33/01/95/176330195.db2.gz DZZBMQZTFQSKLM-RDDDGLTNSA-N 0 3 213.227 2.014 10 0 BEAEHN C[C@@H]1CSC(NCCc2ccsc2)=N1 ZINC000049185318 176349016 /nfs/dbraw/zinc/34/90/16/176349016.db2.gz GHFBXIGOKLTZJK-MRVPVSSYSA-N 0 3 226.370 2.372 10 0 BEAEHN C[C@@H]1C[C@@H](NCc2nc[nH]n2)CC(C)(C)C1 ZINC000037919058 176377916 /nfs/dbraw/zinc/37/79/16/176377916.db2.gz AVWSJJOLLRCAOM-NXEZZACHSA-N 0 3 222.336 2.109 10 0 BEAEHN C[C@@H]1C[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052554809 176386306 /nfs/dbraw/zinc/38/63/06/176386306.db2.gz INLSVMPZQMNKLL-XBFCOCLRSA-N 0 3 246.354 2.062 10 0 BEAEHN C[C@@H]1C[C@@H]1CN(C)[C@@H](CN)c1ccccc1F ZINC000104428398 176391518 /nfs/dbraw/zinc/39/15/18/176391518.db2.gz XLUXKQHBEPTBAB-GYSYKLTISA-N 0 3 236.334 2.413 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000135311160 176924945 /nfs/dbraw/zinc/92/49/45/176924945.db2.gz GFYXLULFPXGNAZ-WDMOLILDSA-N 0 3 247.338 2.450 10 0 BEAEHN C[C@H](c1cccc(N)n1)N1CCCCC1 ZINC000238402859 177036185 /nfs/dbraw/zinc/03/61/85/177036185.db2.gz UIDNNDPXZAFZCK-SNVBAGLBSA-N 0 3 205.305 2.211 10 0 BEAEHN C[C@H]1CCCCN1CCNCc1ccccn1 ZINC000053343362 177075797 /nfs/dbraw/zinc/07/57/97/177075797.db2.gz NTYLEYXJPXUGNX-ZDUSSCGKSA-N 0 3 233.359 2.046 10 0 BEAEHN C[C@H]1CCCN1Cc1cc2c(cc1N)OCCO2 ZINC000037909968 177110404 /nfs/dbraw/zinc/11/04/04/177110404.db2.gz RRAACULEQBESMV-JTQLQIEISA-N 0 3 248.326 2.024 10 0 BEAEHN C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2)C1 ZINC000042494812 177120444 /nfs/dbraw/zinc/12/04/44/177120444.db2.gz AJKCBCMNYSOEAS-XQQFMLRXSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@H]1CCC[C@H](N(C)C(=O)C2(N)CCCC2)C1 ZINC000042495042 177134602 /nfs/dbraw/zinc/13/46/02/177134602.db2.gz WAPOXYDTKFLJEZ-RYUDHWBXSA-N 0 3 238.375 2.295 10 0 BEAEHN C[C@H]1CN(CCc2cccnc2)CCS1 ZINC000172161383 177253784 /nfs/dbraw/zinc/25/37/84/177253784.db2.gz GZAIXUZKYPFZKW-NSHDSACASA-N 0 3 222.357 2.061 10 0 BEAEHN C[C@H]1CN(C[C@@H]2CCCO2)c2ccccc2CN1 ZINC000062622210 177257595 /nfs/dbraw/zinc/25/75/95/177257595.db2.gz BNMQDSVJJWJSIC-JSGCOSHPSA-N 0 3 246.354 2.164 10 0 BEAEHN C[C@H]1CN=C(NCCc2ccsc2)S1 ZINC000049185313 177281467 /nfs/dbraw/zinc/28/14/67/177281467.db2.gz GFYJGMIBKCYBHG-QMMMGPOBSA-N 0 3 226.370 2.372 10 0 BEAEHN C[C@H]1CO[C@@H](c2cccc(OC(F)F)c2)CN1 ZINC000036673589 177300945 /nfs/dbraw/zinc/30/09/45/177300945.db2.gz WCQSQEUQNNZRCE-GZMMTYOYSA-N 0 3 243.253 2.337 10 0 BEAEHN C[C@H]1C[C@@H](O)CN1Cc1ccc2ccccc2n1 ZINC000335899853 177336957 /nfs/dbraw/zinc/33/69/57/177336957.db2.gz NMIQHPZFGAVQNX-SMDDNHRTSA-N 0 3 242.322 2.190 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cccc2c1OCCCO2 ZINC000052273113 177349706 /nfs/dbraw/zinc/34/97/06/177349706.db2.gz GKVAQVAGGZXXBM-JQWIXIFHSA-N 0 3 233.311 2.346 10 0 BEAEHN C[C@H]1C[C@H]1CN(C)c1nc2c(cc1CN)CCC2 ZINC000104417697 177379118 /nfs/dbraw/zinc/37/91/18/177379118.db2.gz PUJRZYVGBHXGLF-GWCFXTLKSA-N 0 3 245.370 2.121 10 0 BEAEHN C[C@H]1C[C@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000052287771 177385733 /nfs/dbraw/zinc/38/57/33/177385733.db2.gz KHNRCULBZAYDBT-GZMMTYOYSA-N 0 3 238.718 2.277 10 0 BEAEHN Cc1nc[nH]c1CNCc1cccs1 ZINC000054794217 177531246 /nfs/dbraw/zinc/53/12/46/177531246.db2.gz NUWQJIXULIWLNQ-UHFFFAOYSA-N 0 3 207.302 2.069 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000054074545 487680616 /nfs/dbraw/zinc/68/06/16/487680616.db2.gz SHLVTOGVMIMSRF-NEPJUHHUSA-N 0 3 234.343 2.089 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000054075126 487682346 /nfs/dbraw/zinc/68/23/46/487682346.db2.gz WLIZHOTUOYASEO-LOWDOPEQSA-N 0 3 238.375 2.022 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000054075688 487683486 /nfs/dbraw/zinc/68/34/86/487683486.db2.gz XNYPQQPPALMRJS-RKDXNWHRSA-N 0 3 240.734 2.125 10 0 BEAEHN CC[C@H](NC(=O)[C@H]1NCCCC1(C)C)C(C)C ZINC000234047673 487760030 /nfs/dbraw/zinc/76/00/30/487760030.db2.gz HJLUNXWMFWHASI-NWDGAFQWSA-N 0 3 240.391 2.315 10 0 BEAEHN CCCc1ccc([C@@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000676234934 487825174 /nfs/dbraw/zinc/82/51/74/487825174.db2.gz UYZRJFRFKOCAIN-BXUZGUMPSA-N 0 3 246.354 2.178 10 0 BEAEHN C[C@@H](c1ccccc1)n1cc(C(C)(C)N)nn1 ZINC000078627570 487865555 /nfs/dbraw/zinc/86/55/55/487865555.db2.gz IDWCIIJUNHQABS-JTQLQIEISA-N 0 3 230.315 2.081 10 0 BEAEHN OC1CC(CNCc2c(F)cccc2Cl)C1 ZINC000084446498 322960701 /nfs/dbraw/zinc/96/07/01/322960701.db2.gz WWHFALWKWWHNAO-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN CC(C)(C)CCN[C@H]1CCCn2ncnc21 ZINC000188082330 487890338 /nfs/dbraw/zinc/89/03/38/487890338.db2.gz RRTMWMBNBGCVFP-JTQLQIEISA-N 0 3 222.336 2.139 10 0 BEAEHN C[C@@H]1CC[C@@H](N[C@@H]2CCNC2=O)c2ccccc21 ZINC000677043337 487956393 /nfs/dbraw/zinc/95/63/93/487956393.db2.gz QHSASWORHIDMLU-LERXQTSPSA-N 0 3 244.338 2.103 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc(C)n1C ZINC000568273315 322932887 /nfs/dbraw/zinc/93/28/87/322932887.db2.gz QSHGXNQSTBNIQQ-PWSUYJOCSA-N 0 3 207.321 2.007 10 0 BEAEHN CCc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000049096314 323157408 /nfs/dbraw/zinc/15/74/08/323157408.db2.gz ATOOCWBQQSKKIL-AWEZNQCLSA-N 0 3 246.354 2.073 10 0 BEAEHN NCc1nccc2c(F)c(Cl)ccc21 ZINC000521402197 323201262 /nfs/dbraw/zinc/20/12/62/323201262.db2.gz XHZWGOFYRFZDNG-UHFFFAOYSA-N 0 3 210.639 2.486 10 0 BEAEHN CC[C@@H](NCc1ccc(C)nn1)C(C)C ZINC000396690370 323652201 /nfs/dbraw/zinc/65/22/01/323652201.db2.gz BWRCCAQQSLMPIU-GFCCVEGCSA-N 0 3 207.321 2.309 10 0 BEAEHN COc1c(CN[C@H]2CC[C@H](C)C2)c(C)nn1C ZINC000123009093 324073459 /nfs/dbraw/zinc/07/34/59/324073459.db2.gz BCJQELRJHVHDHZ-ONGXEEELSA-N 0 3 237.347 2.015 10 0 BEAEHN CSCCCC[NH2+]Cc1nc(C)ccc1[O-] ZINC000124930327 324628670 /nfs/dbraw/zinc/62/86/70/324628670.db2.gz TWIIASRDMRPUJJ-UHFFFAOYSA-N 0 3 240.372 2.328 10 0 BEAEHN CCSCCNCc1cccc(C)n1 ZINC000128939391 324898768 /nfs/dbraw/zinc/89/87/68/324898768.db2.gz JQRLKPIBSBHFHQ-UHFFFAOYSA-N 0 3 210.346 2.233 10 0 BEAEHN Cc1ccc(/C=C/CC(=O)NCCN(C)C)cc1 ZINC000131198107 325124660 /nfs/dbraw/zinc/12/46/60/325124660.db2.gz PBWJEYCBFASFSM-SNAWJCMRSA-N 0 3 246.354 2.076 10 0 BEAEHN COC[C@@H](C)CN(C)Cc1ccc(C)o1 ZINC000131906429 325190214 /nfs/dbraw/zinc/19/02/14/325190214.db2.gz CTURGXJXJZSNGK-JTQLQIEISA-N 0 3 211.305 2.302 10 0 BEAEHN CC(C)[C@@H]1CCCC[C@H]1NC(=O)CNC1CC1 ZINC000132141657 325201039 /nfs/dbraw/zinc/20/10/39/325201039.db2.gz YSAAMISNZSUTSY-QWHCGFSZSA-N 0 3 238.375 2.069 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCCC[C@H]2CO)nc1 ZINC000134349578 325354779 /nfs/dbraw/zinc/35/47/79/325354779.db2.gz XDCOLQGWTCPNMU-GXTWGEPZSA-N 0 3 234.343 2.031 10 0 BEAEHN CCC[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)C ZINC000246655370 325574651 /nfs/dbraw/zinc/57/46/51/325574651.db2.gz UBAIIVGKYKHYTJ-FRRDWIJNSA-N 0 3 240.391 2.412 10 0 BEAEHN Cc1nc(CNC[C@H](O)C(C)(C)C)sc1C ZINC000324392874 326415714 /nfs/dbraw/zinc/41/57/14/326415714.db2.gz ZGRDPSDUWWIXKI-JTQLQIEISA-N 0 3 242.388 2.257 10 0 BEAEHN NCc1cccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000667727188 488102558 /nfs/dbraw/zinc/10/25/58/488102558.db2.gz YSPDCRIXOLWVOK-YPMHNXCESA-N 0 3 245.326 2.162 10 0 BEAEHN Cc1nc(C)c(CN2CCC[C@H]2CCCO)o1 ZINC000685562428 487545558 /nfs/dbraw/zinc/54/55/58/487545558.db2.gz FFDSJYYBYXBGTI-LBPRGKRZSA-N 0 3 238.331 2.028 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C)c1O ZINC000093654876 487481354 /nfs/dbraw/zinc/48/13/54/487481354.db2.gz UAKGNWBXRVHEEU-LDYMZIIASA-N 0 3 236.315 2.013 10 0 BEAEHN CN(Cc1ccoc1)C[C@@H]1CCC[C@H](O)C1 ZINC000381690459 487520308 /nfs/dbraw/zinc/52/03/08/487520308.db2.gz ZQUNXPUTZLELFW-YPMHNXCESA-N 0 3 223.316 2.263 10 0 BEAEHN CN(Cc1ccoc1)C[C@H]1CCC[C@H](O)C1 ZINC000381690447 487520512 /nfs/dbraw/zinc/52/05/12/487520512.db2.gz ZQUNXPUTZLELFW-AAEUAGOBSA-N 0 3 223.316 2.263 10 0 BEAEHN Cc1cnc(NCc2ccc3c(c2)CNC3)nc1 ZINC000097829996 487704371 /nfs/dbraw/zinc/70/43/71/487704371.db2.gz KWGIAALZGDUHQH-UHFFFAOYSA-N 0 3 240.310 2.000 10 0 BEAEHN C[C@@H]1CC[C@H](N[C@@H]2CCNC2=O)c2ccccc21 ZINC000677043335 487956593 /nfs/dbraw/zinc/95/65/93/487956593.db2.gz QHSASWORHIDMLU-DDTOSNHZSA-N 0 3 244.338 2.103 10 0 BEAEHN Cc1cc(CN)cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000322666204 488194304 /nfs/dbraw/zinc/19/43/04/488194304.db2.gz CMSWPHQVDAVGOZ-CLLJXQQHSA-N 0 3 244.338 2.438 10 0 BEAEHN COc1ccc([C@H](C)NC2CSC2)cc1 ZINC000215966484 491124825 /nfs/dbraw/zinc/12/48/25/491124825.db2.gz LNPSRRDMLPLGNF-VIFPVBQESA-N 0 3 223.341 2.461 10 0 BEAEHN CNCc1sc(C(=O)[C@@H]2C[C@@H]2C)nc1C ZINC000757126924 582502026 /nfs/dbraw/zinc/50/20/26/582502026.db2.gz WSWIAWRJSUDEFT-POYBYMJQSA-N 0 3 224.329 2.010 10 0 BEAEHN CNCc1sc([C@H](O)C2(C)CC2)nc1C ZINC000757130741 582504803 /nfs/dbraw/zinc/50/48/03/582504803.db2.gz QPBDLEJHADEACT-VIFPVBQESA-N 0 3 226.345 2.004 10 0 BEAEHN CNCc1sc([C@H](O)C(C)(C)C)nc1C ZINC000757135063 582513605 /nfs/dbraw/zinc/51/36/05/582513605.db2.gz ZZIFWVNTSHUJBC-VIFPVBQESA-N 0 3 228.361 2.250 10 0 BEAEHN CC(C)[C@@H]1O[C@]2(CCSC2)NCC12CC2 ZINC000757145142 582527973 /nfs/dbraw/zinc/52/79/73/582527973.db2.gz OGJNRJRFXRVFDV-JQWIXIFHSA-N 0 3 227.373 2.244 10 0 BEAEHN CC(C)[C@H]1O[C@@]2(CCCOC2)NCC1(C)C ZINC000757152612 582537620 /nfs/dbraw/zinc/53/76/20/582537620.db2.gz SYCLMLJFRRCWFL-DGCLKSJQSA-N 0 3 227.348 2.164 10 0 BEAEHN FCC1(CF)CC2(C1)NCC[C@@H](C1CC1)O2 ZINC000757153454 582538578 /nfs/dbraw/zinc/53/85/78/582538578.db2.gz VXUBSTVFXHFCLB-JTQLQIEISA-N 0 3 231.286 2.190 10 0 BEAEHN CCN1CCC[C@@H](Nc2nc(C(C)C)no2)C1 ZINC000180422944 535540440 /nfs/dbraw/zinc/54/04/40/535540440.db2.gz VGFBPSGXVIULQH-SNVBAGLBSA-N 0 3 238.335 2.089 10 0 BEAEHN CCN(C(=O)C(C)(C)NC)c1ccc(C)cc1 ZINC000061319133 517627323 /nfs/dbraw/zinc/62/73/23/517627323.db2.gz KROACWYARSVTQP-UHFFFAOYSA-N 0 3 234.343 2.346 10 0 BEAEHN CC(C)(C)[C@H]1OCC[C@@H]1CNCc1cncnc1 ZINC000189233956 518984581 /nfs/dbraw/zinc/98/45/81/518984581.db2.gz JWBNBURBDLLMAY-OLZOCXBDSA-N 0 3 249.358 2.017 10 0 BEAEHN CCCc1cc(=NN)nc(NCCC(C)C)[nH]1 ZINC000057331699 521380898 /nfs/dbraw/zinc/38/08/98/521380898.db2.gz AAJSWSPDJOLIMH-UHFFFAOYSA-N 0 3 237.351 2.173 10 0 BEAEHN CCOC(OCC)[C@@H]1Cc2ccccc2CN1C ZINC000057354360 521632229 /nfs/dbraw/zinc/63/22/29/521632229.db2.gz CHYDJGVXJYNWNO-AWEZNQCLSA-N 0 3 249.354 2.442 10 0 BEAEHN CNCc1cccnc1N1CCC[C@H](C)C1 ZINC000051399867 536470860 /nfs/dbraw/zinc/47/08/60/536470860.db2.gz XZEMGCSVYLAIRM-NSHDSACASA-N 0 3 219.332 2.037 10 0 BEAEHN CNCc1cc(N2CCC[C@H](C)C2)ccn1 ZINC000051399935 536468721 /nfs/dbraw/zinc/46/87/21/536468721.db2.gz UEHJQANRDNAUFK-NSHDSACASA-N 0 3 219.332 2.037 10 0 BEAEHN CC(C)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000174002699 529103819 /nfs/dbraw/zinc/10/38/19/529103819.db2.gz OCKMMPPGAJHPPL-QWRGUYRKSA-N 0 3 242.363 2.240 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC000177010644 535545482 /nfs/dbraw/zinc/54/54/82/535545482.db2.gz JGISCTTWFTUARF-CYBMUJFWSA-N 0 3 238.375 2.119 10 0 BEAEHN CCSCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000227565821 535684473 /nfs/dbraw/zinc/68/44/73/535684473.db2.gz AVRJUHZSLKBSMX-QWHCGFSZSA-N 0 3 242.432 2.298 10 0 BEAEHN COc1ccc2ccccc2c1N1CCNCC1 ZINC000028762505 537043607 /nfs/dbraw/zinc/04/36/07/537043607.db2.gz BHLILRVSUCXHCR-UHFFFAOYSA-N 0 3 242.322 2.258 10 0 BEAEHN CC1(C)C[C@@]2(CO1)NCC(C)(C)C(C)(C)O2 ZINC000757138596 582518225 /nfs/dbraw/zinc/51/82/25/582518225.db2.gz CHWMQVAQZXGNHN-CYBMUJFWSA-N 0 3 227.348 2.306 10 0 BEAEHN CCC[C@H]1CCO[C@@]2(COC(C)(C)C2)N1 ZINC000757143394 582523517 /nfs/dbraw/zinc/52/35/17/582523517.db2.gz MRDFRUUWHKANDM-JQWIXIFHSA-N 0 3 213.321 2.060 10 0 BEAEHN CC(C)[C@@H]1O[C@]2(CCSC2)NCC1(C)C ZINC000757143170 582523608 /nfs/dbraw/zinc/52/36/08/582523608.db2.gz MEMDGRCPBUHCCL-JQWIXIFHSA-N 0 3 229.389 2.490 10 0 BEAEHN CCC[C@H]1CCN[C@]2(CCCSC2)O1 ZINC000757147676 582531351 /nfs/dbraw/zinc/53/13/51/582531351.db2.gz MNMKKRLHHCODJY-WDEREUQCSA-N 0 3 215.362 2.388 10 0 BEAEHN COC[C@H]1CCO[C@@]2(CCCC(C)(C)C2)N1 ZINC000757149970 582534319 /nfs/dbraw/zinc/53/43/19/582534319.db2.gz PRTBIJCYPUJGAT-DGCLKSJQSA-N 0 3 227.348 2.308 10 0 BEAEHN C[C@H]1O[C@]2(CCCSC2)NCC1(C)C ZINC000757153522 582538374 /nfs/dbraw/zinc/53/83/74/582538374.db2.gz XEXVTGXWDPFJOA-KOLCDFICSA-N 0 3 215.362 2.244 10 0 BEAEHN CC(C)(C)C[C@]1(C)NCCc2nc[nH]c21 ZINC000400363161 582569192 /nfs/dbraw/zinc/56/91/92/582569192.db2.gz BGNVULGVGONGOM-LBPRGKRZSA-N 0 3 207.321 2.207 10 0 BEAEHN c1cc2c(s1)CCN[C@@]21CO[C@H](C2CC2)C1 ZINC000701088750 582849511 /nfs/dbraw/zinc/84/95/11/582849511.db2.gz AHPUSAISNBQUBF-AAEUAGOBSA-N 0 3 235.352 2.288 10 0 BEAEHN c1cc2c(s1)CCN[C@]21CO[C@@H](C2CC2)C1 ZINC000701088752 582849523 /nfs/dbraw/zinc/84/95/23/582849523.db2.gz AHPUSAISNBQUBF-DGCLKSJQSA-N 0 3 235.352 2.288 10 0 BEAEHN c1cc2c(cc1CN1CCC1)CCCN2 ZINC000393764578 582922571 /nfs/dbraw/zinc/92/25/71/582922571.db2.gz QASJVJVHYIQBHV-UHFFFAOYSA-N 0 3 202.301 2.250 10 0 BEAEHN Cn1cc(CNCCC2=CCCC2)cn1 ZINC000120146717 583106550 /nfs/dbraw/zinc/10/65/50/583106550.db2.gz SOMKDUAPGUQFAF-UHFFFAOYSA-N 0 3 205.305 2.010 10 0 BEAEHN CCC[C@@H]1CCCN(CN2CCOC2=S)C1 ZINC000121343872 585068278 /nfs/dbraw/zinc/06/82/78/585068278.db2.gz BTHPKSVERZMPFD-LLVKDONJSA-N 0 3 242.388 2.073 10 0 BEAEHN CC[C@@]1(C)CCO[C@]2(COC(C)(C)C2)N1 ZINC000757141832 586427609 /nfs/dbraw/zinc/42/76/09/586427609.db2.gz COCVAWOPYMCNID-NWDGAFQWSA-N 0 3 213.321 2.060 10 0 BEAEHN CC(C)C1CCC2(CC1)NCC1(COC1)CO2 ZINC000757139207 586427641 /nfs/dbraw/zinc/42/76/41/586427641.db2.gz FSZXKNPJODPYGS-UHFFFAOYSA-N 0 3 239.359 2.165 10 0 BEAEHN CCC[C@@H]1CCO[C@@]2(COC(C)(C)C2)N1 ZINC000757143403 586428488 /nfs/dbraw/zinc/42/84/88/586428488.db2.gz MRDFRUUWHKANDM-PWSUYJOCSA-N 0 3 213.321 2.060 10 0 BEAEHN Cc1cc(CNC[C@H]2CCC[C@H]2O)c(C)o1 ZINC000121060026 589492424 /nfs/dbraw/zinc/49/24/24/589492424.db2.gz XKTKPJNTZCVYIC-DGCLKSJQSA-N 0 3 223.316 2.147 10 0 BEAEHN CC[C@@H](NCc1ccoc1)[C@@H]1CCCO1 ZINC000126312100 590272888 /nfs/dbraw/zinc/27/28/88/590272888.db2.gz VQYBROFGLVJERR-NEPJUHHUSA-N 0 3 209.289 2.327 10 0 BEAEHN CO[C@H]1CCC[C@H]1NCc1occc1C ZINC000126732073 590428445 /nfs/dbraw/zinc/42/84/45/590428445.db2.gz RFVVJPSIOZYWHJ-MNOVXSKESA-N 0 3 209.289 2.245 10 0 BEAEHN CO[C@@H]1CCCC[C@H]1NCc1ccoc1 ZINC000127118305 590565133 /nfs/dbraw/zinc/56/51/33/590565133.db2.gz YRNDLJNUAJMSMV-VXGBXAGGSA-N 0 3 209.289 2.327 10 0 BEAEHN C[C@@]1(Cc2cccs2)NCCc2nc[nH]c21 ZINC000211099900 591125029 /nfs/dbraw/zinc/12/50/29/591125029.db2.gz BJTZAYQEYKCLHT-LBPRGKRZSA-N 0 3 233.340 2.075 10 0 BEAEHN CC(C)(C)OCCNC[C@H](O)c1ccccc1 ZINC000132902358 591746628 /nfs/dbraw/zinc/74/66/28/591746628.db2.gz ZOMQESMQDSEOBO-ZDUSSCGKSA-N 0 3 237.343 2.125 10 0 BEAEHN Cc1ccccc1[C@H](C)NCC[S@@](C)=O ZINC000133837592 591862413 /nfs/dbraw/zinc/86/24/13/591862413.db2.gz ZLWBUSGFIKQWHH-NHYWBVRUSA-N 0 3 225.357 2.024 10 0 BEAEHN COc1c(CNCCCC(C)C)c(C)nn1C ZINC000134115111 591887712 /nfs/dbraw/zinc/88/77/12/591887712.db2.gz AXOABFJXMUTPPS-UHFFFAOYSA-N 0 3 239.363 2.263 10 0 BEAEHN COc1ccc([C@H](O)CNCc2ccoc2)cc1 ZINC000134283838 591911880 /nfs/dbraw/zinc/91/18/80/591911880.db2.gz XPEMZLTZKLCUQT-CQSZACIVSA-N 0 3 247.294 2.111 10 0 BEAEHN Cc1cc(CNCC[S@@](C)=O)ccc1Cl ZINC000134653882 591944761 /nfs/dbraw/zinc/94/47/61/591944761.db2.gz KTPITVQUYDSFSD-HNNXBMFYSA-N 0 3 245.775 2.117 10 0 BEAEHN Cc1cnc([C@@H](C)Nc2cc(C)nc(N)n2)s1 ZINC000134931101 591962053 /nfs/dbraw/zinc/96/20/53/591962053.db2.gz DLNWVTPGBHRXEY-MRVPVSSYSA-N 0 3 249.343 2.305 10 0 BEAEHN C[C@@H](CNC(=O)[C@]1(C)CCCCN1)C(C)(C)C ZINC000136188448 592100497 /nfs/dbraw/zinc/10/04/97/592100497.db2.gz UUFLPVNNAAWZPA-FZMZJTMJSA-N 0 3 240.391 2.317 10 0 BEAEHN Cc1cccc(CN(C)c2cc(C)nc(N)n2)c1 ZINC000107834996 635490472 /nfs/dbraw/zinc/49/04/72/635490472.db2.gz RCTMZQVTXDWFOK-UHFFFAOYSA-N 0 3 242.326 2.312 10 0 BEAEHN CC1(C)C[C@H]1c1noc(-c2ccnc(CN)c2)n1 ZINC000232870942 635518518 /nfs/dbraw/zinc/51/85/18/635518518.db2.gz FVFCEJQHGXOJRE-JTQLQIEISA-N 0 3 244.298 2.104 10 0 BEAEHN Clc1ccc(-c2noc([C@@H]3CCCN3)n2)o1 ZINC000257930411 631304721 /nfs/dbraw/zinc/30/47/21/631304721.db2.gz GZDUCRXREAMLJA-LURJTMIESA-N 0 3 239.662 2.408 10 0 BEAEHN C[C@@H](O)[C@H](C)NCc1cc(Cl)ccc1F ZINC000336764589 636006689 /nfs/dbraw/zinc/00/66/89/636006689.db2.gz QGXQKSIZZBTQHN-JGVFFNPUSA-N 0 3 231.698 2.338 10 0 BEAEHN c1cc(CNCCOc2ccccc2)co1 ZINC000053566819 634247704 /nfs/dbraw/zinc/24/77/04/634247704.db2.gz YYUGHOPKLOSMCX-UHFFFAOYSA-N 0 3 217.268 2.448 10 0 BEAEHN C[C@H](O)[C@H](C)NCc1sccc1Cl ZINC000336659682 635198862 /nfs/dbraw/zinc/19/88/62/635198862.db2.gz TYUISOZZOSWSMZ-BQBZGAKWSA-N 0 3 219.737 2.260 10 0 BEAEHN CCc1ccc([C@H](C)N[C@H](C)[C@@H](C)O)o1 ZINC000336757177 635282887 /nfs/dbraw/zinc/28/28/87/635282887.db2.gz JAKCFKNQQRZIBU-KXUCPTDWSA-N 0 3 211.305 2.262 10 0 BEAEHN CCC[C@H](N)C(=O)N(CC)c1ccc(C)cc1 ZINC000223548581 635367251 /nfs/dbraw/zinc/36/72/51/635367251.db2.gz DVPKEPDYSLCFSX-ZDUSSCGKSA-N 0 3 234.343 2.475 10 0 BEAEHN COC1CC(N[C@@H](C)c2ccc(F)cn2)C1 ZINC000230673580 635489415 /nfs/dbraw/zinc/48/94/15/635489415.db2.gz WKKKDUMOFNZFGB-PUSIOWJLSA-N 0 3 224.279 2.049 10 0 BEAEHN COC(OC)[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000079585277 636444028 /nfs/dbraw/zinc/44/40/28/636444028.db2.gz JSQSUKBDHORZCA-ZWNOBZJWSA-N 0 3 235.327 2.271 10 0 BEAEHN CCC[C@@](C)(N)c1nc(C(C)(C)C)nn1C ZINC000054698541 640711342 /nfs/dbraw/zinc/71/13/42/640711342.db2.gz PBKSGSHKZDOVLA-GFCCVEGCSA-N 0 3 224.352 2.087 10 0 BEAEHN C[C@@H]1CN(CCC(=O)C(C)(C)C)CCCO1 ZINC000061934007 641008400 /nfs/dbraw/zinc/00/84/00/641008400.db2.gz DCGGXABCEXDTQO-LLVKDONJSA-N 0 3 227.348 2.103 10 0 BEAEHN Cc1cccc([C@@H](O)CN(C)C[C@@H]2CCCO2)c1 ZINC000044171286 641588356 /nfs/dbraw/zinc/58/83/56/641588356.db2.gz ZZFBHYVYIBWIOT-GJZGRUSLSA-N 0 3 249.354 2.139 10 0 BEAEHN C[C@@H](NC[C@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299266 643124279 /nfs/dbraw/zinc/12/42/79/643124279.db2.gz AYHNTYZMJCVURB-OQPBUACISA-N 0 3 241.281 2.386 10 0 BEAEHN COC(=O)C[C@H](N)c1ccc(F)cc1Cl ZINC000095638362 644760392 /nfs/dbraw/zinc/76/03/92/644760392.db2.gz LXEQXJVYZQZSDE-VIFPVBQESA-N 0 3 231.654 2.042 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@@H](C)Cc2ccco2)n1 ZINC000112716495 645513504 /nfs/dbraw/zinc/51/35/04/645513504.db2.gz SGWQWWSBLJRCSO-NSHDSACASA-N 0 3 246.310 2.409 10 0 BEAEHN Cn1cnnc1CN[C@H]1CCCCCC1(C)C ZINC000719288018 712803735 /nfs/dbraw/zinc/80/37/35/712803735.db2.gz PMQQPDVPHCLSDN-NSHDSACASA-N 0 3 236.363 2.264 10 0 BEAEHN C[C@@H](O)[C@@H](C)NCc1ccsc1Cl ZINC000308282191 711520429 /nfs/dbraw/zinc/52/04/29/711520429.db2.gz XJYNBDJRXSTUFI-RNFRBKRXSA-N 0 3 219.737 2.260 10 0 BEAEHN Cc1cc(C)nc(CN2C[C@@H](O)CC[C@@H]2C)c1 ZINC000723842907 711538654 /nfs/dbraw/zinc/53/86/54/711538654.db2.gz UNIWCCWBCOTCHW-JSGCOSHPSA-N 0 3 234.343 2.044 10 0 BEAEHN CCN1CCC[C@@H](Nc2ccc(Cl)nn2)C1 ZINC000042359016 711804706 /nfs/dbraw/zinc/80/47/06/711804706.db2.gz YGEDSKOQKBLOPS-SECBINFHSA-N 0 3 240.738 2.026 10 0 BEAEHN COCC1CC(N[C@H](C)c2nccs2)C1 ZINC000714005455 712477146 /nfs/dbraw/zinc/47/71/46/712477146.db2.gz BIVPWBILWXVFNN-XNWIYYODSA-N 0 3 226.345 2.219 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000715816261 712533388 /nfs/dbraw/zinc/53/33/88/712533388.db2.gz XPXOABUGSYENSO-JQWIXIFHSA-N 0 3 240.734 2.128 10 0 BEAEHN Cc1coc(CNC[C@H](O)C(C)(C)C)c1 ZINC000718053209 712739427 /nfs/dbraw/zinc/73/94/27/712739427.db2.gz PBDDSBIBGBARPD-NSHDSACASA-N 0 3 211.305 2.085 10 0 BEAEHN Cc1coc(CN[C@H](C)[C@H]2CCCO2)c1 ZINC000718147193 712748711 /nfs/dbraw/zinc/74/87/11/712748711.db2.gz WIJUNRVXLJWZGO-ZYHUDNBSSA-N 0 3 209.289 2.245 10 0 BEAEHN CC[C@H](CN[C@@H](C)c1cn(C)nn1)CC(F)F ZINC000720522812 712848957 /nfs/dbraw/zinc/84/89/57/712848957.db2.gz GPFGGWGYHOQCMJ-IUCAKERBSA-N 0 3 246.305 2.147 10 0 BEAEHN CC1=C[C@H](C)C[C@H](CN[C@H](C)c2cn(C)nn2)C1 ZINC000720603418 712858051 /nfs/dbraw/zinc/85/80/51/712858051.db2.gz QFTNRKITQYKWRX-UHTWSYAYSA-N 0 3 248.374 2.458 10 0 BEAEHN C[C@@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607908 712858449 /nfs/dbraw/zinc/85/84/49/712858449.db2.gz WZQZPTNRQPYLMS-WISYIIOYSA-N 0 3 234.347 2.044 10 0 BEAEHN COCCCNCc1ncc(C(C)C)s1 ZINC000134839719 1167702618 /nfs/dbraw/zinc/70/26/18/1167702618.db2.gz MMMHNWWZPCDOHN-UHFFFAOYSA-N 0 3 228.361 2.393 10 0 BEAEHN CC[C@](O)(CNCc1ccccc1)C(F)(F)F ZINC000201159999 970187954 /nfs/dbraw/zinc/18/79/54/970187954.db2.gz GAKTUBAEGMHVMW-NSHDSACASA-N 0 3 247.260 2.480 10 0 BEAEHN Cc1nc(CNC[C@H]2CCCCN2C)cs1 ZINC000044561362 1171394883 /nfs/dbraw/zinc/39/48/83/1171394883.db2.gz IRAIUQHLDJMFEU-GFCCVEGCSA-N 0 3 239.388 2.025 10 0 BEAEHN Cc1cc(N[C@@H]2C[C@H]2c2ccccc2)nc(N)n1 ZINC000049056107 1171672989 /nfs/dbraw/zinc/67/29/89/1171672989.db2.gz ZDWMRUYCYUDNLZ-NWDGAFQWSA-N 0 3 240.310 2.335 10 0 BEAEHN CN[C@H](C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962437 538909310 /nfs/dbraw/zinc/90/93/10/538909310.db2.gz IBIXXPRIDCGSQH-QWHCGFSZSA-N 0 3 249.354 2.406 10 0 BEAEHN C=C(OCC)c1cc2c(c(CN)c1)OCC2 ZINC000685965068 538911347 /nfs/dbraw/zinc/91/13/47/538911347.db2.gz NGXPOWMPRYQUBG-UHFFFAOYSA-N 0 3 219.284 2.087 10 0 BEAEHN CNC[C@@H](F)Cc1ccc(Cl)cc1 ZINC000257875006 349487398 /nfs/dbraw/zinc/48/73/98/349487398.db2.gz RAEMJKNUGSFVDC-JTQLQIEISA-N 0 3 201.672 2.440 10 0 BEAEHN CNC[C@@H](F)Cc1cccc(Cl)c1 ZINC000257893997 349487488 /nfs/dbraw/zinc/48/74/88/349487488.db2.gz UXDHQMXBQJUAQN-JTQLQIEISA-N 0 3 201.672 2.440 10 0 BEAEHN Cc1cc(CN2CC[C@H](CCO)C2)cs1 ZINC000336663628 178004013 /nfs/dbraw/zinc/00/40/13/178004013.db2.gz CQFCJMHPUJYBEK-LLVKDONJSA-N 0 3 225.357 2.261 10 0 BEAEHN Cc1cc(CNC(C)C)nc(C2CC2)n1 ZINC000054831634 178016538 /nfs/dbraw/zinc/01/65/38/178016538.db2.gz MDDOXBLGICMQGJ-UHFFFAOYSA-N 0 3 205.305 2.160 10 0 BEAEHN Cc1cc(CNC(C)C)nc(CC(F)(F)F)n1 ZINC000054831740 178016828 /nfs/dbraw/zinc/01/68/28/178016828.db2.gz KTPXTYJGZXFNBV-UHFFFAOYSA-N 0 3 247.264 2.388 10 0 BEAEHN Cc1cc(CNC2CC2)nc(C(C)C)n1 ZINC000054831879 178019341 /nfs/dbraw/zinc/01/93/41/178019341.db2.gz JVIIZTAORVRTET-UHFFFAOYSA-N 0 3 205.305 2.160 10 0 BEAEHN Cc1cc(CN[C@H]2CCO[C@@H]2C)cc(C)c1O ZINC000149380410 178039723 /nfs/dbraw/zinc/03/97/23/178039723.db2.gz UYJVEEFZIGVAKZ-YPMHNXCESA-N 0 3 235.327 2.276 10 0 BEAEHN C[C@H]1CS[C@@]2(CCCSCC2)N1 ZINC000575518007 398180989 /nfs/dbraw/zinc/18/09/89/398180989.db2.gz JAZWLXJGWSFRCI-DTWKUNHWSA-N 0 3 203.376 2.325 10 0 BEAEHN Cc1cc(F)ccc1NC(=O)[C@@](C)(N)C1CC1 ZINC000037614335 178089942 /nfs/dbraw/zinc/08/99/42/178089942.db2.gz FLPIGJGZORMLDW-ZDUSSCGKSA-N 0 3 236.290 2.200 10 0 BEAEHN NCc1n[nH]c2cccc(C(F)(F)F)c21 ZINC000075139298 398216852 /nfs/dbraw/zinc/21/68/52/398216852.db2.gz BJXMZZCFPZZURJ-UHFFFAOYSA-N 0 3 215.178 2.040 10 0 BEAEHN Cc1cc(NC2CCN(C)CC2)ccc1N ZINC000035278286 178154621 /nfs/dbraw/zinc/15/46/21/178154621.db2.gz RNVCRRIBDIHQIM-UHFFFAOYSA-N 0 3 219.332 2.083 10 0 BEAEHN c1cnc2c(c1)cccc2[C@@H]1CCOCCN1 ZINC000616658646 398223282 /nfs/dbraw/zinc/22/32/82/398223282.db2.gz IPTJPAFOZBWATL-ZDUSSCGKSA-N 0 3 228.295 2.286 10 0 BEAEHN Cc1cc([C@H](C)N[C@H](C)C(C)C)nn1C ZINC000282176983 178256151 /nfs/dbraw/zinc/25/61/51/178256151.db2.gz MODHEAJYIRLDBN-MNOVXSKESA-N 0 3 209.337 2.424 10 0 BEAEHN Cc1cc2c(n1CCN1CCCC1)CCCC2=O ZINC000054133777 178292782 /nfs/dbraw/zinc/29/27/82/178292782.db2.gz ANHOEQGVQGTHLZ-UHFFFAOYSA-N 0 3 246.354 2.411 10 0 BEAEHN Cc1ccc(-c2c[nH]c([C@H](C)N)n2)s1 ZINC000036872136 178317837 /nfs/dbraw/zinc/31/78/37/178317837.db2.gz RCAIBIZDCJZOJQ-ZETCQYMHSA-N 0 3 207.302 2.466 10 0 BEAEHN CCC(CC)N(C)C(=O)[C@@H]1CCC[C@H](C)N1 ZINC000036789503 168367148 /nfs/dbraw/zinc/36/71/48/168367148.db2.gz DXCPABMNKVSHIZ-JQWIXIFHSA-N 0 3 226.364 2.164 10 0 BEAEHN C[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)CC(C)(C)O1 ZINC000383873674 398258838 /nfs/dbraw/zinc/25/88/38/398258838.db2.gz IERASLWGERUXGX-JHJVBQTASA-N 0 3 241.375 2.037 10 0 BEAEHN O=C(CN1CCCCCC1)NC1CCCCC1 ZINC000010150515 342718437 /nfs/dbraw/zinc/71/84/37/342718437.db2.gz QNDGEQSZCHUCPR-UHFFFAOYSA-N 0 3 238.375 2.311 10 0 BEAEHN c1cc([C@H]2CNC[C@@H](C3CC3)O2)cs1 ZINC000070890782 361865371 /nfs/dbraw/zinc/86/53/71/361865371.db2.gz SGJXJFZFHJVLKO-WDEREUQCSA-N 0 3 209.314 2.188 10 0 BEAEHN N[C@H]1CCSc2c(F)ccc(F)c21 ZINC000035676379 342754475 /nfs/dbraw/zinc/75/44/75/342754475.db2.gz FKRPWMYLHPHUTB-ZETCQYMHSA-N 0 3 201.241 2.460 10 0 BEAEHN CCC(CC)NCc1nc(C)c(C)n1C ZINC000022862358 168390240 /nfs/dbraw/zinc/39/02/40/168390240.db2.gz FEBFCSSCHCKCBI-UHFFFAOYSA-N 0 3 209.337 2.315 10 0 BEAEHN C[C@H](N[C@@H]1CCCN(C)C1)c1ccco1 ZINC000040671973 538972626 /nfs/dbraw/zinc/97/26/26/538972626.db2.gz PGHKIHOGAWVMJN-WDEREUQCSA-N 0 3 208.305 2.024 10 0 BEAEHN CC(C)(C)[C@@H](N)C(=O)Nc1ccsc1 ZINC000157675433 342814855 /nfs/dbraw/zinc/81/48/55/342814855.db2.gz PEHOEFGHDWNWKP-QMMMGPOBSA-N 0 3 212.318 2.060 10 0 BEAEHN C[C@@H](N[C@@H]1CCCN(C)C1)c1ccco1 ZINC000040671974 538972783 /nfs/dbraw/zinc/97/27/83/538972783.db2.gz PGHKIHOGAWVMJN-GHMZBOCLSA-N 0 3 208.305 2.024 10 0 BEAEHN CCCc1ccc(CN[C@@H]2C[C@H]2CO)cc1 ZINC000378670144 538973456 /nfs/dbraw/zinc/97/34/56/538973456.db2.gz CQGANLLULKISTC-UONOGXRCSA-N 0 3 219.328 2.110 10 0 BEAEHN Cc1ccc(CN(C[C@H](C)O)C(C)C)o1 ZINC000035717744 342807290 /nfs/dbraw/zinc/80/72/90/342807290.db2.gz DTDPRJCMUXYBAB-JTQLQIEISA-N 0 3 211.305 2.179 10 0 BEAEHN Cc1n[nH]cc1[C@@H](C)NC1CC(F)(F)C1 ZINC000380059459 538984224 /nfs/dbraw/zinc/98/42/24/538984224.db2.gz ZFSJWSOZMNZXLR-ZCFIWIBFSA-N 0 3 215.247 2.166 10 0 BEAEHN CC[C@](C)(OC)[C@H]1NCCc2occc21 ZINC000709945852 539027769 /nfs/dbraw/zinc/02/77/69/539027769.db2.gz WWXKPCBQSXIIAK-RYUDHWBXSA-N 0 3 209.289 2.282 10 0 BEAEHN Cc1cc(C)c(CN(C)C)c(C)c1C=O ZINC000144061700 361997154 /nfs/dbraw/zinc/99/71/54/361997154.db2.gz FYOLTQSXFYAPSG-UHFFFAOYSA-N 0 3 205.301 2.486 10 0 BEAEHN CC(C)[C@H]1CCC[C@@](N)(c2ncc[nH]2)C1 ZINC000521401598 398305121 /nfs/dbraw/zinc/30/51/21/398305121.db2.gz LGWXCSHYQJEQSW-JQWIXIFHSA-N 0 3 207.321 2.410 10 0 BEAEHN C[C@H](CCNCc1ccc(Cl)o1)[S@](C)=O ZINC000132555124 398306384 /nfs/dbraw/zinc/30/63/84/398306384.db2.gz GELIQLGGVLODBO-ANRSDYALSA-N 0 3 249.763 2.180 10 0 BEAEHN C[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000406501121 342870360 /nfs/dbraw/zinc/87/03/60/342870360.db2.gz QLDAAIKCDGYSGR-MRVPVSSYSA-N 0 3 237.303 2.448 10 0 BEAEHN CN[C@H]1CSCc2cc(F)cc(F)c21 ZINC000165055000 342872413 /nfs/dbraw/zinc/87/24/13/342872413.db2.gz SZNDVJNAHUCPAP-VIFPVBQESA-N 0 3 215.268 2.472 10 0 BEAEHN Cc1nc([C@@H](N)Cc2ccoc2)cs1 ZINC000164918046 342857203 /nfs/dbraw/zinc/85/72/03/342857203.db2.gz KFISTWHICAHGFB-VIFPVBQESA-N 0 3 208.286 2.287 10 0 BEAEHN Cc1nc([C@H](N)Cc2ccoc2)cs1 ZINC000164917916 342857231 /nfs/dbraw/zinc/85/72/31/342857231.db2.gz KFISTWHICAHGFB-SECBINFHSA-N 0 3 208.286 2.287 10 0 BEAEHN N[C@H](c1ncccc1Br)C1CC1 ZINC000134754969 342882642 /nfs/dbraw/zinc/88/26/42/342882642.db2.gz IMXZHLJEAVHAQC-QMMMGPOBSA-N 0 3 227.105 2.254 10 0 BEAEHN COC(=O)CCCN[C@@H](C)c1cccs1 ZINC000035737044 342891390 /nfs/dbraw/zinc/89/13/90/342891390.db2.gz SYWXNFNMTRPZHM-VIFPVBQESA-N 0 3 227.329 2.352 10 0 BEAEHN Cc1csc(C[C@@]2(F)CCCNC2)n1 ZINC000158087105 398327846 /nfs/dbraw/zinc/32/78/46/398327846.db2.gz BWQCKYPNUKCPEA-JTQLQIEISA-N 0 3 214.309 2.086 10 0 BEAEHN CCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000038120378 398336298 /nfs/dbraw/zinc/33/62/98/398336298.db2.gz ALKSTEWFTXATRU-JTQLQIEISA-N 0 3 233.233 2.348 10 0 BEAEHN CC[C@](F)(CN)c1cc(F)ccc1F ZINC000158341958 398332258 /nfs/dbraw/zinc/33/22/58/398332258.db2.gz SSFMVWFFQPYKGY-JTQLQIEISA-N 0 3 203.207 2.498 10 0 BEAEHN Cc1ccc([C@@H](C)NC(=O)CNC2CC2)c(C)c1 ZINC000037765418 398334218 /nfs/dbraw/zinc/33/42/18/398334218.db2.gz SSSOVPCBZBIZKR-GFCCVEGCSA-N 0 3 246.354 2.233 10 0 BEAEHN Cc1ccc(CNCC[C@H]2CCCO2)o1 ZINC000037988761 398335585 /nfs/dbraw/zinc/33/55/85/398335585.db2.gz GPDLFKCHOHJOAD-LLVKDONJSA-N 0 3 209.289 2.247 10 0 BEAEHN Clc1cc2c(cc1CNC1CC1)OCO2 ZINC000144927422 343052819 /nfs/dbraw/zinc/05/28/19/343052819.db2.gz VRDMJNOXKZMLTF-UHFFFAOYSA-N 0 3 225.675 2.321 10 0 BEAEHN N[C@@H](CO)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072198899 343068907 /nfs/dbraw/zinc/06/89/07/343068907.db2.gz VUOICOBAIVLPGW-QMMMGPOBSA-N 0 3 239.624 2.351 10 0 BEAEHN C[C@@H](N)c1csc(-c2ccns2)n1 ZINC000404456391 343071846 /nfs/dbraw/zinc/07/18/46/343071846.db2.gz MWRSUSGTPRMMCH-RXMQYKEDSA-N 0 3 211.315 2.286 10 0 BEAEHN CCNc1c(N)cnc2c(C)cc(C)cc21 ZINC000584882298 343084590 /nfs/dbraw/zinc/08/45/90/343084590.db2.gz AKPDRKXMQSIVFU-UHFFFAOYSA-N 0 3 215.300 2.288 10 0 BEAEHN Cc1ccc(-c2cc3c(nc2N)NCCC3)cc1 ZINC000584883381 343086215 /nfs/dbraw/zinc/08/62/15/343086215.db2.gz VDNGAYDUDPMAMC-UHFFFAOYSA-N 0 3 239.322 2.344 10 0 BEAEHN C[C@@H]1C[C@@H](C)CC2(C1)NCCc1nc[nH]c12 ZINC000400462049 343078532 /nfs/dbraw/zinc/07/85/32/343078532.db2.gz OXRLYJVDSUWDSD-NXEZZACHSA-N 0 3 219.332 2.207 10 0 BEAEHN CCC[C@H](N)C(=O)Nc1cccc2ccncc21 ZINC000131153424 343182657 /nfs/dbraw/zinc/18/26/57/343182657.db2.gz LZXUXHGJKMOHEE-LBPRGKRZSA-N 0 3 243.310 2.301 10 0 BEAEHN C[C@@H](N[C@@H](C)c1cccs1)C(=O)NC1CC1 ZINC000035138583 343286369 /nfs/dbraw/zinc/28/63/69/343286369.db2.gz VPZZWQRHJIPXLS-DTWKUNHWSA-N 0 3 238.356 2.066 10 0 BEAEHN C[C@H]1CC(N)=NN1c1ccc(Cl)cc1 ZINC000034592820 343275362 /nfs/dbraw/zinc/27/53/62/343275362.db2.gz OIRYAEFOEAYPHY-ZETCQYMHSA-N 0 3 209.680 2.211 10 0 BEAEHN COC(=O)C[C@H](C)N(C)Cc1ccccc1 ZINC000035751856 343303975 /nfs/dbraw/zinc/30/39/75/343303975.db2.gz QHPOOEXYBVPKDB-NSHDSACASA-N 0 3 221.300 2.070 10 0 BEAEHN C[C@@](N)(CO)c1ccc(Cl)cc1Cl ZINC000038124427 343371570 /nfs/dbraw/zinc/37/15/70/343371570.db2.gz ZCLUUTUQVDJMNN-SECBINFHSA-N 0 3 220.099 2.160 10 0 BEAEHN CC(C)(C)NCC(=O)c1ccc2c(c1)CCN2 ZINC000041619333 343422243 /nfs/dbraw/zinc/42/22/43/343422243.db2.gz HIZNUINNFZKJKH-UHFFFAOYSA-N 0 3 232.327 2.225 10 0 BEAEHN CC(C)(C)NC[C@@H](O)C(Cl)(Cl)Cl ZINC000149361502 343424865 /nfs/dbraw/zinc/42/48/65/343424865.db2.gz OJNXQFKKSYASOY-RXMQYKEDSA-N 0 3 234.554 2.106 10 0 BEAEHN Cc1cccc2[nH]c(CNC(C)C)nc21 ZINC000043598585 343478623 /nfs/dbraw/zinc/47/86/23/343478623.db2.gz WKPQQRPDLDFTGH-UHFFFAOYSA-N 0 3 203.289 2.369 10 0 BEAEHN Cc1cccc2nc(CNC(C)C)[nH]c21 ZINC000043598585 343478624 /nfs/dbraw/zinc/47/86/24/343478624.db2.gz WKPQQRPDLDFTGH-UHFFFAOYSA-N 0 3 203.289 2.369 10 0 BEAEHN c1cc2c(s1)[C@]1(CO[C@@H](C3CC3)C1)NCC2 ZINC000712523769 537789181 /nfs/dbraw/zinc/78/91/81/537789181.db2.gz SMZVVGQKYRCZRW-YPMHNXCESA-N 0 3 235.352 2.288 10 0 BEAEHN C[C@]1([C@H]2CCCO2)NCCc2ccsc21 ZINC000712512445 537786892 /nfs/dbraw/zinc/78/68/92/537786892.db2.gz KKZAWNUUKFWGOY-ZYHUDNBSSA-N 0 3 223.341 2.288 10 0 BEAEHN CC[C@H](OC)[C@@H]1NCCc2ccsc21 ZINC000712559374 537791897 /nfs/dbraw/zinc/79/18/97/537791897.db2.gz QZKJMTUIVXGEIR-UWVGGRQHSA-N 0 3 211.330 2.360 10 0 BEAEHN COC(C)(C)[C@H]1NCCc2ccsc21 ZINC000712559653 537793399 /nfs/dbraw/zinc/79/33/99/537793399.db2.gz YDULVSQWKSKOKM-JTQLQIEISA-N 0 3 211.330 2.360 10 0 BEAEHN CC[C@@H](OC)[C@@H]1NCCc2ccsc21 ZINC000712559378 537793553 /nfs/dbraw/zinc/79/35/53/537793553.db2.gz QZKJMTUIVXGEIR-ZJUUUORDSA-N 0 3 211.330 2.360 10 0 BEAEHN COC(C)(C)C[C@H]1NC(C)(C)CS1 ZINC000234656535 343627467 /nfs/dbraw/zinc/62/74/67/343627467.db2.gz MDGFFNSYIPCRAG-QMMMGPOBSA-N 0 3 203.351 2.243 10 0 BEAEHN CCCOc1ccc2c(c1)C(=O)C(C)O2 ZINC000043633160 343632134 /nfs/dbraw/zinc/63/21/34/343632134.db2.gz CDMNSBJQQFDTPZ-QMMMGPOBSA-N 0 3 206.241 2.439 10 0 BEAEHN CC1(C)CCN(c2cccc(N)n2)CC1 ZINC000087727421 343658916 /nfs/dbraw/zinc/65/89/16/343658916.db2.gz KWLLPLHANVJCPS-UHFFFAOYSA-N 0 3 205.305 2.290 10 0 BEAEHN Cc1nc(N)cc(NCc2ccc(F)cc2)n1 ZINC000128528921 343787335 /nfs/dbraw/zinc/78/73/35/343787335.db2.gz VKOQCDGACRTTEZ-UHFFFAOYSA-N 0 3 232.262 2.118 10 0 BEAEHN NC[C@H](F)Cc1ccccc1Br ZINC000156342269 343791254 /nfs/dbraw/zinc/79/12/54/343791254.db2.gz MZGQMDXXCVFCCO-MRVPVSSYSA-N 0 3 232.096 2.288 10 0 BEAEHN CCn1nc(-c2cccs2)cc1CN ZINC000213486000 343792265 /nfs/dbraw/zinc/79/22/65/343792265.db2.gz VFWPUMXHLSNOTA-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN CC[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1O ZINC000229837213 343793481 /nfs/dbraw/zinc/79/34/81/343793481.db2.gz PQRVAWUIQXVUHR-JSGCOSHPSA-N 0 3 237.318 2.419 10 0 BEAEHN C[C@@H](CO)CN(C)Cc1ccc(Cl)cc1 ZINC000128383484 346981012 /nfs/dbraw/zinc/98/10/12/346981012.db2.gz JQGULXLRORLSKV-SNVBAGLBSA-N 0 3 227.735 2.400 10 0 BEAEHN Cc1nc(CN)cc(CCC2CCCC2)n1 ZINC000409439956 343854120 /nfs/dbraw/zinc/85/41/20/343854120.db2.gz UNBOLTRVIZNDLX-UHFFFAOYSA-N 0 3 219.332 2.367 10 0 BEAEHN CN[C@@H]1CSCc2ccc(OC)cc21 ZINC000159055903 346995146 /nfs/dbraw/zinc/99/51/46/346995146.db2.gz FODMKEHLBRYTGV-LLVKDONJSA-N 0 3 209.314 2.203 10 0 BEAEHN CN1C[C@@H](CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000409437629 343842802 /nfs/dbraw/zinc/84/28/02/343842802.db2.gz AKWHEZZITCJFAD-JOYOIKCWSA-N 0 3 225.719 2.325 10 0 BEAEHN NCc1cc(C2CCCC2)nc(C2CC2)n1 ZINC000409438386 343843629 /nfs/dbraw/zinc/84/36/29/343843629.db2.gz MNOPDSYEVLIQKS-UHFFFAOYSA-N 0 3 217.316 2.470 10 0 BEAEHN CCn1nc([C@@H]2CCCCN2)c2c1CCC2 ZINC000409440552 343852810 /nfs/dbraw/zinc/85/28/10/343852810.db2.gz UMABMIRUIIOXMH-NSHDSACASA-N 0 3 219.332 2.206 10 0 BEAEHN CNCc1cnn(CC2CC(C)(C)C2)c1 ZINC000575623474 343876398 /nfs/dbraw/zinc/87/63/98/343876398.db2.gz UDDZWNBCDQYLQU-UHFFFAOYSA-N 0 3 207.321 2.039 10 0 BEAEHN CNCc1cc(-c2cccnc2)nn1C(C)C ZINC000409443602 343861853 /nfs/dbraw/zinc/86/18/53/343861853.db2.gz QFNGEJLLQCRWTE-UHFFFAOYSA-N 0 3 230.315 2.245 10 0 BEAEHN C[C@H](CNc1cc(Cl)nnc1Cl)N(C)C ZINC000127160883 343861999 /nfs/dbraw/zinc/86/19/99/343861999.db2.gz YXNRRLJGFVZZAV-ZCFIWIBFSA-N 0 3 249.145 2.145 10 0 BEAEHN CSC[C@H](N)c1cccc(F)c1F ZINC000069640925 343941698 /nfs/dbraw/zinc/94/16/98/343941698.db2.gz AMRCUYVSKPELOS-QMMMGPOBSA-N 0 3 203.257 2.328 10 0 BEAEHN Cc1ccoc1CN1CCN2CCCC[C@@H]2C1 ZINC000092616179 343960514 /nfs/dbraw/zinc/96/05/14/343960514.db2.gz PNWILLFIONXRNN-CYBMUJFWSA-N 0 3 234.343 2.258 10 0 BEAEHN CCCN[C@@H](C)c1cn(Cc2ccccc2)nn1 ZINC000309813683 343969739 /nfs/dbraw/zinc/96/97/39/343969739.db2.gz NKAAYOQEHSMLLF-LBPRGKRZSA-N 0 3 244.342 2.387 10 0 BEAEHN NCc1ccc(Br)cc1NC1CC1 ZINC000165954588 344247743 /nfs/dbraw/zinc/24/77/43/344247743.db2.gz ZCQCEROZDDXGBL-UHFFFAOYSA-N 0 3 241.132 2.482 10 0 BEAEHN CCC[C@H](N)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400075536 344278579 /nfs/dbraw/zinc/27/85/79/344278579.db2.gz OCBUCINDWPHLGN-TYUFSLCMSA-N 0 3 238.375 2.056 10 0 BEAEHN C[C@H]1C[C@H](C)N(CC(=O)C2CCCC2)C1 ZINC000158061122 344332481 /nfs/dbraw/zinc/33/24/81/344332481.db2.gz GTBXIQCGTYUWDQ-QWRGUYRKSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@@H]1C[C@H](C)N(CC(=O)C2CCCC2)C1 ZINC000158060919 344332531 /nfs/dbraw/zinc/33/25/31/344332531.db2.gz GTBXIQCGTYUWDQ-MNOVXSKESA-N 0 3 209.333 2.476 10 0 BEAEHN CCCCCC[C@H]([C@H](C)O)n1cnc(CN)c1 ZINC000028217871 344353109 /nfs/dbraw/zinc/35/31/09/344353109.db2.gz YSOLMNPLEMKSDU-WCQYABFASA-N 0 3 239.363 2.234 10 0 BEAEHN NC[C@H](F)[C@@H]1CCOC2(CCCC2)C1 ZINC000158071330 344394217 /nfs/dbraw/zinc/39/42/17/344394217.db2.gz DCIYNAVMZCJZSA-ZJUUUORDSA-N 0 3 201.285 2.023 10 0 BEAEHN CC[C@H](O)CN(C)Cc1ccc(F)cc1 ZINC000042437070 344453246 /nfs/dbraw/zinc/45/32/46/344453246.db2.gz WBAGEJKCWYSMRP-LBPRGKRZSA-N 0 3 211.280 2.028 10 0 BEAEHN F[C@]1(CC[C@H]2CCCO2)CCCNC1 ZINC000158097626 344541916 /nfs/dbraw/zinc/54/19/16/344541916.db2.gz ZSEGOSDZCWHESW-MNOVXSKESA-N 0 3 201.285 2.037 10 0 BEAEHN F[C@@]1(CC[C@H]2CCCO2)CCCNC1 ZINC000158097349 344542012 /nfs/dbraw/zinc/54/20/12/344542012.db2.gz ZSEGOSDZCWHESW-GHMZBOCLSA-N 0 3 201.285 2.037 10 0 BEAEHN C[C@@H]1C[C@@H]1N[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000330268353 537847862 /nfs/dbraw/zinc/84/78/62/537847862.db2.gz RCVJWXRCFCWNFE-USWWRNFRSA-N 0 3 234.347 2.424 10 0 BEAEHN C[C@@](F)(CN)Cc1cc(F)ccc1F ZINC000158231997 344569829 /nfs/dbraw/zinc/56/98/29/344569829.db2.gz PIXORBAHICTHMX-JTQLQIEISA-N 0 3 203.207 2.194 10 0 BEAEHN CC[C@](F)(CN)c1cc(F)cc(F)c1 ZINC000158325479 344597234 /nfs/dbraw/zinc/59/72/34/344597234.db2.gz GZTDFCGDTSHWAJ-JTQLQIEISA-N 0 3 203.207 2.498 10 0 BEAEHN C[C@@H]1CCC[C@@]2(CC1)NCCc1nc[nH]c12 ZINC000400386593 537853750 /nfs/dbraw/zinc/85/37/50/537853750.db2.gz NJUVMKOCGYUMAS-MFKMUULPSA-N 0 3 219.332 2.351 10 0 BEAEHN CC[C@]1([C@H]2CC2(C)C)NCCc2nc[nH]c21 ZINC000400399308 537854526 /nfs/dbraw/zinc/85/45/26/537854526.db2.gz SEAWKWRPRJIUPS-GXFFZTMASA-N 0 3 219.332 2.207 10 0 BEAEHN C[C@@H]1CCC[C@H](n2cnc(CN)c2)[C@@H]1C ZINC000300720924 537855535 /nfs/dbraw/zinc/85/55/35/537855535.db2.gz CKWOTZLRTMXXQP-FOGDFJRCSA-N 0 3 207.321 2.339 10 0 BEAEHN CC(C)=C[C@](C)(F)C[C@@H]1COCCN1 ZINC000166351355 344870807 /nfs/dbraw/zinc/87/08/07/344870807.db2.gz HXQIMFBUPNYITM-MNOVXSKESA-N 0 3 201.285 2.059 10 0 BEAEHN CC(C)CNc1ncc(CN)cc1Cl ZINC000166374908 344880137 /nfs/dbraw/zinc/88/01/37/344880137.db2.gz SYTWKUXMFYCKDM-UHFFFAOYSA-N 0 3 213.712 2.262 10 0 BEAEHN C[C@@H]1CCN[C@@H]([C@@H]2CCSC2)S1 ZINC000224675733 344966265 /nfs/dbraw/zinc/96/62/65/344966265.db2.gz IJJBETIOWBEQEH-IWSPIJDZSA-N 0 3 203.376 2.181 10 0 BEAEHN Cc1cc(C)n(C[C@@H](N)c2ccc(F)cc2)n1 ZINC000011849812 345032955 /nfs/dbraw/zinc/03/29/55/345032955.db2.gz IMWRALBWCZTLOA-CYBMUJFWSA-N 0 3 233.290 2.339 10 0 BEAEHN NCc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238570002 345079711 /nfs/dbraw/zinc/07/97/11/345079711.db2.gz BBIDDAFOFHOCGL-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN NCc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238566512 345079897 /nfs/dbraw/zinc/07/98/97/345079897.db2.gz QPPRIKMQNFRYIU-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NCc1nccs1 ZINC000082432784 345059607 /nfs/dbraw/zinc/05/96/07/345059607.db2.gz XPAZOPZXIXFRNS-LLVKDONJSA-N 0 3 241.404 2.209 10 0 BEAEHN Cc1cc2c(cc1Br)OC[C@@H]2N ZINC000238488528 345061993 /nfs/dbraw/zinc/06/19/93/345061993.db2.gz NDZDEGOVDOMVPP-QMMMGPOBSA-N 0 3 228.089 2.150 10 0 BEAEHN N[C@@H](c1coc(Br)c1)C1CC1 ZINC000238668422 345105137 /nfs/dbraw/zinc/10/51/37/345105137.db2.gz VCEWOBABOFSIBF-MRVPVSSYSA-N 0 3 216.078 2.452 10 0 BEAEHN c1nc2c([nH]1)[C@@H](C1CCCCC1)NCC2 ZINC000071478806 537894087 /nfs/dbraw/zinc/89/40/87/537894087.db2.gz QYCAPCVZIYWAAR-LLVKDONJSA-N 0 3 205.305 2.177 10 0 BEAEHN Cc1ccc([C@H](N)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022566842 178907543 /nfs/dbraw/zinc/90/75/43/178907543.db2.gz GPAZRWZZIBWEGW-VNHYZAJKSA-N 0 3 248.370 2.104 10 0 BEAEHN C[C@H](c1ccco1)N1CCCC[C@H]1CO ZINC000253606228 345692020 /nfs/dbraw/zinc/69/20/20/345692020.db2.gz KNVFRZBZYOLLJH-MNOVXSKESA-N 0 3 209.289 2.187 10 0 BEAEHN c1ccc2c(c1)CC[C@H](CN1CCOCC1)C2 ZINC000218910681 345745255 /nfs/dbraw/zinc/74/52/55/345745255.db2.gz VMYRIMCARBJRFR-ZDUSSCGKSA-N 0 3 231.339 2.124 10 0 BEAEHN CCC(CC)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000172060861 535005568 /nfs/dbraw/zinc/00/55/68/535005568.db2.gz CKVPKYGIIPPLEB-WCQYABFASA-N 0 3 238.375 2.118 10 0 BEAEHN Cc1cccc2c1CCN[C@H]2CN1CCCC1 ZINC000034426620 345832857 /nfs/dbraw/zinc/83/28/57/345832857.db2.gz FUIUUKVILHNGAG-HNNXBMFYSA-N 0 3 230.355 2.278 10 0 BEAEHN Cc1nc(N)cc(N[C@@H]2CCCC[C@H]2C)n1 ZINC000087808217 345941900 /nfs/dbraw/zinc/94/19/00/345941900.db2.gz QYJBYPDUTCEYJY-PSASIEDQSA-N 0 3 220.320 2.358 10 0 BEAEHN CNc1cc(NCc2ccco2)nc(C)n1 ZINC000087806792 345942258 /nfs/dbraw/zinc/94/22/58/345942258.db2.gz PYFWSYMRHQZCHU-UHFFFAOYSA-N 0 3 218.260 2.032 10 0 BEAEHN C[C@@H]1CC[C@H](C)[C@@H](n2cnc(CN)c2)C1 ZINC000669375223 537953052 /nfs/dbraw/zinc/95/30/52/537953052.db2.gz VOABZTQMTFYKNN-SCVCMEIPSA-N 0 3 207.321 2.339 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@H]1O)c1ccoc1 ZINC000245850551 537956419 /nfs/dbraw/zinc/95/64/19/537956419.db2.gz BHDLREMRIPJQDH-ZMLRMANQSA-N 0 3 209.289 2.234 10 0 BEAEHN NC[C@@H](O)c1cc(Cl)sc1Cl ZINC000236204981 346210043 /nfs/dbraw/zinc/21/00/43/346210043.db2.gz CPOLDZJVMKFDNN-SCSAIBSYSA-N 0 3 212.101 2.047 10 0 BEAEHN Nc1ccc2nc(CN3CCCC3)ccc2c1 ZINC000136267703 346182124 /nfs/dbraw/zinc/18/21/24/346182124.db2.gz VJKXQVIKIJCJQZ-UHFFFAOYSA-N 0 3 227.311 2.413 10 0 BEAEHN Cc1ncc(CNCC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000628260638 346260284 /nfs/dbraw/zinc/26/02/84/346260284.db2.gz PBUPNIORXAXGFD-NXEZZACHSA-N 0 3 238.331 2.276 10 0 BEAEHN Cc1cccc(C[C@H](N)c2cnccn2)c1 ZINC000037467131 179105852 /nfs/dbraw/zinc/10/58/52/179105852.db2.gz GLNFUIWFLWWHPY-LBPRGKRZSA-N 0 3 213.284 2.028 10 0 BEAEHN CCCC[C@@]1(CC)NCCc2ncn(C)c21 ZINC000725242712 537986054 /nfs/dbraw/zinc/98/60/54/537986054.db2.gz MUFXFAYFEZSPNJ-CYBMUJFWSA-N 0 3 221.348 2.361 10 0 BEAEHN CN[C@H](C)C(=O)NCCCC1CCCCC1 ZINC000580657985 365853995 /nfs/dbraw/zinc/85/39/95/365853995.db2.gz FQAVIOKZPIDJQU-LLVKDONJSA-N 0 3 226.364 2.071 10 0 BEAEHN Cc1cccc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000133044429 179181884 /nfs/dbraw/zinc/18/18/84/179181884.db2.gz XYKUUYKVFSWHSL-TZMCWYRMSA-N 0 3 246.354 2.266 10 0 BEAEHN Cc1cccc([C@@H](NC2CCCCC2)C(N)=O)c1 ZINC000037969634 179185995 /nfs/dbraw/zinc/18/59/95/179185995.db2.gz LDULLSYQXDUAQZ-CQSZACIVSA-N 0 3 246.354 2.444 10 0 BEAEHN CC(C)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000034597927 347186032 /nfs/dbraw/zinc/18/60/32/347186032.db2.gz PAMGSSLIZHRTEC-JTQLQIEISA-N 0 3 230.352 2.097 10 0 BEAEHN Cc1cccc([C@H](C)N[C@@H](C)C(=O)NC2CC2)c1 ZINC000160249334 179196893 /nfs/dbraw/zinc/19/68/93/179196893.db2.gz ZAYSTHHSEFVCPR-RYUDHWBXSA-N 0 3 246.354 2.313 10 0 BEAEHN Cc1cccc([C@@H]2CN(C3CC3)CCN2)c1 ZINC000056894847 179190533 /nfs/dbraw/zinc/19/05/33/179190533.db2.gz AGUNTZZCAUCUHG-AWEZNQCLSA-N 0 3 216.328 2.104 10 0 BEAEHN CN[C@@H](C)c1ccc(O)cc1Br ZINC000221827389 347231974 /nfs/dbraw/zinc/23/19/74/347231974.db2.gz KBWPQWFFMOWRGB-LURJTMIESA-N 0 3 230.105 2.435 10 0 BEAEHN CCCCOC[C@@H](O)CN1CC(CC)(CC)C1 ZINC000310473064 347288478 /nfs/dbraw/zinc/28/84/78/347288478.db2.gz JFEMJHOJPQTYJR-ZDUSSCGKSA-N 0 3 243.391 2.286 10 0 BEAEHN Cc1cccc([C@H](C)N[C@H](C)C(=O)NC2CC2)c1 ZINC000160249472 179198059 /nfs/dbraw/zinc/19/80/59/179198059.db2.gz ZAYSTHHSEFVCPR-NWDGAFQWSA-N 0 3 246.354 2.313 10 0 BEAEHN Cc1cccc([C@H](CO)NC2CC2)c1C ZINC000043316230 179200371 /nfs/dbraw/zinc/20/03/71/179200371.db2.gz QXZNWTQJMAPGQU-ZDUSSCGKSA-N 0 3 205.301 2.089 10 0 BEAEHN c1cc2c(o1)[C@@]1(C[C@@H]3CCC[C@@H]31)NCC2 ZINC000725242872 537988809 /nfs/dbraw/zinc/98/88/09/537988809.db2.gz MGKWTTNDGRCWHT-GVXVVHGQSA-N 0 3 203.285 2.441 10 0 BEAEHN Cc1cccc2c(N[C@H](C)CO)ccnc12 ZINC000127838911 179211789 /nfs/dbraw/zinc/21/17/89/179211789.db2.gz PEMZFOMYWUKCIR-SNVBAGLBSA-N 0 3 216.284 2.336 10 0 BEAEHN C[C@]1(CN2CCN3CCC[C@H]3C2)CCCS1 ZINC000250789661 362821558 /nfs/dbraw/zinc/82/15/58/362821558.db2.gz IBSDPYGDUNCBNZ-QWHCGFSZSA-N 0 3 240.416 2.052 10 0 BEAEHN CCN[C@H](CC)c1cn(C(C)(C)C)nn1 ZINC000616568635 347452468 /nfs/dbraw/zinc/45/24/68/347452468.db2.gz DDMDTAIADDBMCU-SECBINFHSA-N 0 3 210.325 2.094 10 0 BEAEHN c1cc2c(o1)[C@]1(C[C@@H]3CCC[C@H]31)NCC2 ZINC000725242870 537990072 /nfs/dbraw/zinc/99/00/72/537990072.db2.gz MGKWTTNDGRCWHT-DMDPSCGWSA-N 0 3 203.285 2.441 10 0 BEAEHN Cc1ccccc1C(=O)[C@@H]1CCCCN1 ZINC000071508660 179254371 /nfs/dbraw/zinc/25/43/71/179254371.db2.gz NVIJQFQMUSSCSW-LBPRGKRZSA-N 0 3 203.285 2.320 10 0 BEAEHN CCc1nc(C)cc(N[C@@H]2CCCN(CC)C2)n1 ZINC000302519900 347577426 /nfs/dbraw/zinc/57/74/26/347577426.db2.gz OSQLSEGYWXFNHS-GFCCVEGCSA-N 0 3 248.374 2.244 10 0 BEAEHN Cc1ccccc1C[C@H](N)c1cnccn1 ZINC000037467135 179292168 /nfs/dbraw/zinc/29/21/68/179292168.db2.gz PJJRNUCVDCTFJU-LBPRGKRZSA-N 0 3 213.284 2.028 10 0 BEAEHN Cc1nccn1C[C@H](N)c1ccccc1C ZINC000023067419 179324516 /nfs/dbraw/zinc/32/45/16/179324516.db2.gz BFOZONSTONXGKD-ZDUSSCGKSA-N 0 3 215.300 2.200 10 0 BEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CCCCC1 ZINC000118753946 187385800 /nfs/dbraw/zinc/38/58/00/187385800.db2.gz FQZSISBDNBSVSI-CYBMUJFWSA-N 0 3 238.375 2.262 10 0 BEAEHN Cc1cccnc1-c1ncc([C@@H](C)N)c(C)n1 ZINC000054962664 179355810 /nfs/dbraw/zinc/35/58/10/179355810.db2.gz WXVXREDNQOUGSA-SECBINFHSA-N 0 3 228.299 2.175 10 0 BEAEHN C1CCC(N2CCS[C@H]3COCC[C@H]32)C1 ZINC000245628590 192119381 /nfs/dbraw/zinc/11/93/81/192119381.db2.gz PKRDGKSZBSPLPZ-NEPJUHHUSA-N 0 3 227.373 2.135 10 0 BEAEHN C[C@@H]1CSCCN1CC[C@H]1CCCC1=O ZINC000251576113 362887946 /nfs/dbraw/zinc/88/79/46/362887946.db2.gz CFCUOACYYDFGPT-GHMZBOCLSA-N 0 3 227.373 2.183 10 0 BEAEHN C[C@@H]1CS[C@@]2(CCCS[C@H]2C)N1 ZINC000251619161 362892737 /nfs/dbraw/zinc/89/27/37/362892737.db2.gz DVLQRRLWEBUUJE-HRDYMLBCSA-N 0 3 203.376 2.323 10 0 BEAEHN c1ccc(CN2CC[C@@]3(C2)NCCCS3)cc1 ZINC000159147096 348651954 /nfs/dbraw/zinc/65/19/54/348651954.db2.gz HUOVKIIYIWRHRP-CQSZACIVSA-N 0 3 248.395 2.315 10 0 BEAEHN Cc1ccc2c(c1Cl)NC[C@]21C[C@H]1N ZINC000725246901 538009305 /nfs/dbraw/zinc/00/93/05/538009305.db2.gz ADUCDHONSHYVOH-LDYMZIIASA-N 0 3 208.692 2.043 10 0 BEAEHN Cc1cnc(CNC[C@@H]2CCCC[C@@H]2O)s1 ZINC000295790483 179604617 /nfs/dbraw/zinc/60/46/17/179604617.db2.gz SCIORTSIUVHWGL-QWRGUYRKSA-N 0 3 240.372 2.092 10 0 BEAEHN C[C@@H]1CS[C@]2(CCN(Cc3ccccc3)C2)N1 ZINC000159142688 348625460 /nfs/dbraw/zinc/62/54/60/348625460.db2.gz LJQODBBJMSUZCS-OCCSQVGLSA-N 0 3 248.395 2.314 10 0 BEAEHN N[C@H]1C[C@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247077 538012316 /nfs/dbraw/zinc/01/23/16/538012316.db2.gz GQXAMYOAPLVECT-WPRPVWTQSA-N 0 3 229.110 2.388 10 0 BEAEHN CN[C@H](C)C(=O)N(Cc1cccs1)C(C)C ZINC000054076573 348879522 /nfs/dbraw/zinc/87/95/22/348879522.db2.gz QRLPRNCUWDLPIT-SNVBAGLBSA-N 0 3 240.372 2.093 10 0 BEAEHN CC[C@H](C)c1nnc([C@@H](N)[C@@H](C)CC)[nH]1 ZINC000616573298 349069616 /nfs/dbraw/zinc/06/96/16/349069616.db2.gz ZWRAZIVBBAEYLO-CIUDSAMLSA-N 0 3 210.325 2.364 10 0 BEAEHN CC[C@H](C)c1nc([C@@H](N)[C@@H](C)CC)n[nH]1 ZINC000616573298 349069617 /nfs/dbraw/zinc/06/96/17/349069617.db2.gz ZWRAZIVBBAEYLO-CIUDSAMLSA-N 0 3 210.325 2.364 10 0 BEAEHN Cc1ccc(NC(=O)C2CC2)c(C)c1CN ZINC000616574068 349076631 /nfs/dbraw/zinc/07/66/31/349076631.db2.gz WPBYPUYZKJRZDV-UHFFFAOYSA-N 0 3 218.300 2.111 10 0 BEAEHN Cc1cc(C(F)F)nc(C2(N)CCCC2)n1 ZINC000616579122 349131892 /nfs/dbraw/zinc/13/18/92/349131892.db2.gz QYCCEHWWVOGBTD-UHFFFAOYSA-N 0 3 227.258 2.451 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251020512 349181567 /nfs/dbraw/zinc/18/15/67/349181567.db2.gz DEDQGUMUNCQPRM-IJLUTSLNSA-N 0 3 240.391 2.315 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000251020514 349181956 /nfs/dbraw/zinc/18/19/56/349181956.db2.gz DEDQGUMUNCQPRM-UTUOFQBUSA-N 0 3 240.391 2.315 10 0 BEAEHN CCNCc1cc2c(cc1Cl)OCO2 ZINC000616579585 349161723 /nfs/dbraw/zinc/16/17/23/349161723.db2.gz UXPAAAJEZUVNLA-UHFFFAOYSA-N 0 3 213.664 2.178 10 0 BEAEHN Cc1nc(CCC(C)C)nc(C)c1CN ZINC000054836929 179929728 /nfs/dbraw/zinc/92/97/28/179929728.db2.gz FJJZVSAGTAWCBO-UHFFFAOYSA-N 0 3 207.321 2.141 10 0 BEAEHN CC(C)(C)c1ccc(CNCCO)s1 ZINC000126265593 191007201 /nfs/dbraw/zinc/00/72/01/191007201.db2.gz GNLNLCMUMKBVTJ-UHFFFAOYSA-N 0 3 213.346 2.128 10 0 BEAEHN Cc1nc(C[C@@H]2CCCO2)sc1[C@H](C)N ZINC000040993999 179984298 /nfs/dbraw/zinc/98/42/98/179984298.db2.gz LOVVSLUOBBDVRP-CBAPKCEASA-N 0 3 226.345 2.193 10 0 BEAEHN CCc1ccc(CNCc2cn[nH]c2)s1 ZINC000051718630 350067244 /nfs/dbraw/zinc/06/72/44/350067244.db2.gz LGZVXPZURXVISY-UHFFFAOYSA-N 0 3 221.329 2.323 10 0 BEAEHN CC(C)(C)CC[C@@](C)(N)c1ncccn1 ZINC000725255068 538049990 /nfs/dbraw/zinc/04/99/90/538049990.db2.gz QKIDRHNVRRAVAR-GFCCVEGCSA-N 0 3 207.321 2.477 10 0 BEAEHN Cc1nc(N(C)C(C)C)sc1[C@@H](C)N ZINC000054864354 179994724 /nfs/dbraw/zinc/99/47/24/179994724.db2.gz XGOWKKGYOAGYEF-SSDOTTSWSA-N 0 3 213.350 2.316 10 0 BEAEHN Cc1nc(N2CC[C@@H](C)C2)sc1[C@@H](C)N ZINC000054896452 180003556 /nfs/dbraw/zinc/00/35/56/180003556.db2.gz IRNVJWZGZQMNRD-HTQZYQBOSA-N 0 3 225.361 2.317 10 0 BEAEHN Cc1nc([C@H](C)N[C@H]2CN(C)C[C@H]2C)cs1 ZINC000336731349 180051474 /nfs/dbraw/zinc/05/14/74/180051474.db2.gz FFYBSETZPDNCPO-YWVKMMECSA-N 0 3 239.388 2.052 10 0 BEAEHN Cc1ccc(CNCC[C@H](C)[S@@](C)=O)cc1 ZINC000132545857 191032495 /nfs/dbraw/zinc/03/24/95/191032495.db2.gz SXUYDTFAJPDURN-LRDDRELGSA-N 0 3 239.384 2.242 10 0 BEAEHN Cc1ccc(CNCC[C@@H](C)[S@@](C)=O)cc1 ZINC000132545627 191033125 /nfs/dbraw/zinc/03/31/25/191033125.db2.gz SXUYDTFAJPDURN-WBMJQRKESA-N 0 3 239.384 2.242 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@H](C)CC(N)=O)cc1F ZINC000132662499 191034864 /nfs/dbraw/zinc/03/48/64/191034864.db2.gz HIXOXOODJDHSJX-NXEZZACHSA-N 0 3 238.306 2.049 10 0 BEAEHN CCc1ccc(CNCC[C@H](C)[S@](C)=O)o1 ZINC000132574234 191033866 /nfs/dbraw/zinc/03/38/66/191033866.db2.gz GKZPVOWZSOTYOO-MGPLVRAMSA-N 0 3 243.372 2.089 10 0 BEAEHN C[C@@H](CCNCc1cccc(F)c1)[S@](C)=O ZINC000132594985 191034261 /nfs/dbraw/zinc/03/42/61/191034261.db2.gz BUOQMFWGIQCNEF-MGPLVRAMSA-N 0 3 243.347 2.072 10 0 BEAEHN C[C@H](NCC1(C)CCC1)c1nccn1C ZINC000132301405 191030987 /nfs/dbraw/zinc/03/09/87/191030987.db2.gz ITCPSNZZOBBNEX-JTQLQIEISA-N 0 3 207.321 2.261 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H](C)CC(N)=O)cc1F ZINC000132662287 191034839 /nfs/dbraw/zinc/03/48/39/191034839.db2.gz HIXOXOODJDHSJX-UWVGGRQHSA-N 0 3 238.306 2.049 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@@H](C)CC(N)=O)cc1F ZINC000132662086 191034848 /nfs/dbraw/zinc/03/48/48/191034848.db2.gz HIXOXOODJDHSJX-VHSXEESVSA-N 0 3 238.306 2.049 10 0 BEAEHN CSCCCCN[C@@H](C)c1cnccn1 ZINC000133638674 191043113 /nfs/dbraw/zinc/04/31/13/191043113.db2.gz RLQBFEDZXXASTC-JTQLQIEISA-N 0 3 225.361 2.270 10 0 BEAEHN CC(C)N1CCC[C@H](CNC(F)(F)F)C1 ZINC000095088269 191053736 /nfs/dbraw/zinc/05/37/36/191053736.db2.gz MCNWSZVBWGZHEF-SECBINFHSA-N 0 3 224.270 2.216 10 0 BEAEHN Cc1ncc([C@H](C)N[C@H]2C[C@@H]2C)c(C)n1 ZINC000120457155 180173522 /nfs/dbraw/zinc/17/35/22/180173522.db2.gz RUYQTIZAUDVDSE-DXBFQKDVSA-N 0 3 205.305 2.152 10 0 BEAEHN Cc1nccc(CN[C@H](C)CCc2ccco2)n1 ZINC000038037607 180191773 /nfs/dbraw/zinc/19/17/73/180191773.db2.gz CSHVMPUDIPENPH-LLVKDONJSA-N 0 3 245.326 2.489 10 0 BEAEHN CC(C)Cc1ncc(CNCC(C)(C)O)s1 ZINC000125059781 191080196 /nfs/dbraw/zinc/08/01/96/191080196.db2.gz FZYYQQFKRVJSLD-UHFFFAOYSA-N 0 3 242.388 2.202 10 0 BEAEHN Cc1nccnc1[C@@H](C)NC[C@@H]1CCCCO1 ZINC000219114177 180282111 /nfs/dbraw/zinc/28/21/11/180282111.db2.gz KNOXSZSTUALYKZ-NEPJUHHUSA-N 0 3 235.331 2.005 10 0 BEAEHN CC(C)(C)[C@H](O)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000324278182 350289465 /nfs/dbraw/zinc/28/94/65/350289465.db2.gz NOLOLCYBXJONRP-GFCCVEGCSA-N 0 3 241.306 2.028 10 0 BEAEHN Cc1ncsc1CCN1CCS[C@@H](C)C1 ZINC000172534247 180310074 /nfs/dbraw/zinc/31/00/74/180310074.db2.gz MPVQXKSGAORDNI-VIFPVBQESA-N 0 3 242.413 2.431 10 0 BEAEHN Cc1ncsc1[C@H](C)NC[C@@H]1CCCO1 ZINC000037215350 180327258 /nfs/dbraw/zinc/32/72/58/180327258.db2.gz VHRDKMBPVSLZQN-WPRPVWTQSA-N 0 3 226.345 2.281 10 0 BEAEHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN ZINC000019512054 180329243 /nfs/dbraw/zinc/32/92/43/180329243.db2.gz KIAQTPGOEABODP-UHFFFAOYSA-N 0 3 237.253 2.226 10 0 BEAEHN Cc1nn(C)c(O[C@@H]2CCC[C@@H](C)C2)c1CN ZINC000020517789 180360783 /nfs/dbraw/zinc/36/07/83/180360783.db2.gz HCRMRFJNACOVEC-MWLCHTKSSA-N 0 3 237.347 2.145 10 0 BEAEHN Cc1nn(C)c(O[C@H]2CCC[C@H](C)C2)c1CN ZINC000020517792 180361367 /nfs/dbraw/zinc/36/13/67/180361367.db2.gz HCRMRFJNACOVEC-ONGXEEELSA-N 0 3 237.347 2.145 10 0 BEAEHN CC(C)N1CCO[C@@H](c2cccc(N)c2)CC1 ZINC000616592625 350467798 /nfs/dbraw/zinc/46/77/98/350467798.db2.gz DPZJAYYWOIAEID-CQSZACIVSA-N 0 3 234.343 2.441 10 0 BEAEHN Cc1nn(C)cc1[C@@H](C)NC1CC(F)(F)C1 ZINC000277078978 180378721 /nfs/dbraw/zinc/37/87/21/180378721.db2.gz JNMMXTYTEGLVFL-SSDOTTSWSA-N 0 3 229.274 2.177 10 0 BEAEHN Cc1nn([C@H](CN)c2ccco2)c(C)c1Cl ZINC000050586334 180393043 /nfs/dbraw/zinc/39/30/43/180393043.db2.gz VHGUNGGSYHTWDO-SECBINFHSA-N 0 3 239.706 2.294 10 0 BEAEHN Cc1nn(CCC(C)(C)C)c(C)c1CN ZINC000049256076 180387782 /nfs/dbraw/zinc/38/77/82/180387782.db2.gz AYDPFOSJDOEZAR-UHFFFAOYSA-N 0 3 209.337 2.395 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2cncnc2)CC1 ZINC000616594812 350596828 /nfs/dbraw/zinc/59/68/28/350596828.db2.gz SWASMSZYYDFEKD-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CCCCCC(=O)N[C@H](CN)c1ccccc1 ZINC000104318095 168640602 /nfs/dbraw/zinc/64/06/02/168640602.db2.gz FOWKOUZIEYSCEO-CYBMUJFWSA-N 0 3 234.343 2.383 10 0 BEAEHN CCN1CCOCC[C@H]1c1cccc(OC)c1 ZINC000616598875 350687695 /nfs/dbraw/zinc/68/76/95/350687695.db2.gz UEPAATNTZDRFII-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CNc1cccc([C@H]2COCCCN2C)c1 ZINC000616599761 350757444 /nfs/dbraw/zinc/75/74/44/350757444.db2.gz OSGCVOXGFJYMNT-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CCN1CCOCC[C@H]1c1ccccc1OC ZINC000616599278 350741310 /nfs/dbraw/zinc/74/13/10/350741310.db2.gz XZCSXIOAOGZGCF-ZDUSSCGKSA-N 0 3 235.327 2.479 10 0 BEAEHN CCN1CCCC[C@H](OC(F)(F)F)C1 ZINC000616601453 350782517 /nfs/dbraw/zinc/78/25/17/350782517.db2.gz CPMSXUMKXLKXOW-QMMMGPOBSA-N 0 3 211.227 2.397 10 0 BEAEHN CC(C)(C)N1CCC[C@@H]1c1cccnn1 ZINC000616607328 350800198 /nfs/dbraw/zinc/80/01/98/350800198.db2.gz IDKZGJHPFDIPST-LLVKDONJSA-N 0 3 205.305 2.412 10 0 BEAEHN CC(C)(C)N1CCC[C@H]1c1ccncn1 ZINC000616607109 350800223 /nfs/dbraw/zinc/80/02/23/350800223.db2.gz GOTASTQYHCLASQ-NSHDSACASA-N 0 3 205.305 2.412 10 0 BEAEHN CC(C)N1CCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616607709 350802406 /nfs/dbraw/zinc/80/24/06/350802406.db2.gz YNKYUMFACAOYCF-CYBMUJFWSA-N 0 3 232.327 2.331 10 0 BEAEHN OCCN1CC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616614558 350835531 /nfs/dbraw/zinc/83/55/31/350835531.db2.gz PMCKCMKMNHXYKD-CYBMUJFWSA-N 0 3 242.322 2.016 10 0 BEAEHN OCCN1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616614874 350840899 /nfs/dbraw/zinc/84/08/99/350840899.db2.gz ZBJDSLFRVJSZPY-CQSZACIVSA-N 0 3 242.322 2.016 10 0 BEAEHN CC(C)(C)N1CCCC[C@@H]1c1cnno1 ZINC000616614137 350827179 /nfs/dbraw/zinc/82/71/79/350827179.db2.gz JRZZOLPBLZXHJF-SECBINFHSA-N 0 3 209.293 2.395 10 0 BEAEHN N[C@H]1CCCc2nc(C(F)(F)F)sc21 ZINC000159600944 350920938 /nfs/dbraw/zinc/92/09/38/350920938.db2.gz CIUWLNNJYVLYJW-BYPYZUCNSA-N 0 3 222.235 2.498 10 0 BEAEHN c1nnoc1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000616618892 350925935 /nfs/dbraw/zinc/92/59/35/350925935.db2.gz USBYQCFXRSTGAF-ZDUSSCGKSA-N 0 3 243.310 2.449 10 0 BEAEHN CC(C)(C)N1CCC[C@H](c2conn2)C1 ZINC000616618185 350884019 /nfs/dbraw/zinc/88/40/19/350884019.db2.gz QTHMZKHLFPHCGD-VIFPVBQESA-N 0 3 209.293 2.048 10 0 BEAEHN Clc1cnc([C@@H]2NC[C@@H]2C2CC2)s1 ZINC000306771408 351007803 /nfs/dbraw/zinc/00/78/03/351007803.db2.gz CITMCMMUKGQTGY-HTRCEHHLSA-N 0 3 214.721 2.467 10 0 BEAEHN c1n[nH]nc1C1CCN(Cc2ccccc2)CC1 ZINC000616620458 350943784 /nfs/dbraw/zinc/94/37/84/350943784.db2.gz AIOPNABIXRYZCL-UHFFFAOYSA-N 0 3 242.326 2.184 10 0 BEAEHN N=C(N)c1c(Cl)cccc1OC(F)F ZINC000129259918 351020890 /nfs/dbraw/zinc/02/08/90/351020890.db2.gz HDXCBRLKRMSOHU-UHFFFAOYSA-N 0 3 220.606 2.225 10 0 BEAEHN C[C@@H]1CN[C@]2(CCCS[C@H]2C)S1 ZINC000251933988 362990841 /nfs/dbraw/zinc/99/08/41/362990841.db2.gz YZWNJSZOUQPCMA-HRDYMLBCSA-N 0 3 203.376 2.323 10 0 BEAEHN Cc1ncc(CN2C[C@@H]3CCCCN3C[C@@H]2C)o1 ZINC000398089630 363002142 /nfs/dbraw/zinc/00/21/42/363002142.db2.gz WWIDHBJFSRBDTK-AAEUAGOBSA-N 0 3 249.358 2.042 10 0 BEAEHN CNc1ccc([C@@H]2CN(C(C)C)CCN2)cc1 ZINC000616632046 351109555 /nfs/dbraw/zinc/10/95/55/351109555.db2.gz FUPJZNNAJXKXAY-AWEZNQCLSA-N 0 3 233.359 2.083 10 0 BEAEHN CCN1CCN[C@@H](c2cnc3ccccc3c2)C1 ZINC000616632555 351111969 /nfs/dbraw/zinc/11/19/69/351111969.db2.gz TZINNAOTMSKVRM-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCCCC[C@H]1c1ccncn1 ZINC000616622433 351086196 /nfs/dbraw/zinc/08/61/96/351086196.db2.gz YFGKZAZTAQFJRW-LBPRGKRZSA-N 0 3 205.305 2.414 10 0 BEAEHN CC(C)N1CCCOC[C@H]1c1ccccn1 ZINC000616644897 351166157 /nfs/dbraw/zinc/16/61/57/351166157.db2.gz IZRXJRJBVLXCQO-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)(C)N1CCCOC[C@@H]1c1ccnnc1 ZINC000616645127 351166962 /nfs/dbraw/zinc/16/69/62/351166962.db2.gz GOGQZMAKPYNTGP-GFCCVEGCSA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)N1CCCOC[C@H]1c1cccnc1 ZINC000616646184 351170208 /nfs/dbraw/zinc/17/02/08/351170208.db2.gz UGIPOKKKINVMIV-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN c1ccc2cc([C@H]3COCCCN3)ncc2c1 ZINC000616646427 351171792 /nfs/dbraw/zinc/17/17/92/351171792.db2.gz UORGKFCBPXLAFV-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN c1ccc2cc([C@@H]3COCCCN3)ncc2c1 ZINC000616648672 351176709 /nfs/dbraw/zinc/17/67/09/351176709.db2.gz UORGKFCBPXLAFV-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CCN1CCCO[C@H](c2cccc(CCO)c2)C1 ZINC000616648818 351177294 /nfs/dbraw/zinc/17/72/94/351177294.db2.gz DBZQQSNXSWPZHI-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ccon2)C1 ZINC000616653642 351194047 /nfs/dbraw/zinc/19/40/47/351194047.db2.gz RRAGFNGAQJUGAD-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN CN1CCCO[C@H](c2cccc3nnccc32)C1 ZINC000616650921 351180819 /nfs/dbraw/zinc/18/08/19/351180819.db2.gz IUQFRBLUFIDXAZ-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](Nc2ccccn2)C1 ZINC000616653296 351185048 /nfs/dbraw/zinc/18/50/48/351185048.db2.gz LGIULUWGTFOXBJ-CYBMUJFWSA-N 0 3 249.358 2.340 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2cnoc2)C1 ZINC000616652646 351185959 /nfs/dbraw/zinc/18/59/59/351185959.db2.gz IEFRXUNVQWOIJC-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc2ccccc2n1 ZINC000616636652 351128210 /nfs/dbraw/zinc/12/82/10/351128210.db2.gz GJFPXUXAJCDSOQ-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc2ncccc2c1 ZINC000616636812 351128881 /nfs/dbraw/zinc/12/88/81/351128881.db2.gz DIPJZOHAIVJRPC-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCNC[C@@H]1c1nccc2ccccc21 ZINC000616637391 351133267 /nfs/dbraw/zinc/13/32/67/351133267.db2.gz LYZCOFLMWUYPEP-CQSZACIVSA-N 0 3 241.338 2.201 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc2cnccc2c1 ZINC000616637207 351133585 /nfs/dbraw/zinc/13/35/85/351133585.db2.gz JGVMXSLXGOMCDA-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN C[C@@H]1CSC(NCc2ccsc2)=N1 ZINC000063154071 351263834 /nfs/dbraw/zinc/26/38/34/351263834.db2.gz VNUDMNCSAOSJRS-SSDOTTSWSA-N 0 3 212.343 2.329 10 0 BEAEHN CCN1CCc2ccccc2[C@H]1c1cnc[nH]1 ZINC000616679742 351246102 /nfs/dbraw/zinc/24/61/02/351246102.db2.gz NYIZBWDSPVIDGY-AWEZNQCLSA-N 0 3 227.311 2.377 10 0 BEAEHN CC(C)(C)N1CCO[C@H](C(F)(F)F)CC1 ZINC000616684127 351255167 /nfs/dbraw/zinc/25/51/67/351255167.db2.gz CTMSMOOGOCEJTP-QMMMGPOBSA-N 0 3 225.254 2.438 10 0 BEAEHN CCN1CCCC[C@@H](c2ncccn2)C1 ZINC000616656462 351202185 /nfs/dbraw/zinc/20/21/85/351202185.db2.gz YCDJEIZXDNCQCZ-LLVKDONJSA-N 0 3 205.305 2.066 10 0 BEAEHN CN1CCOC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616660497 351204059 /nfs/dbraw/zinc/20/40/59/351204059.db2.gz JDOQZAPJBKKHSX-AWEZNQCLSA-N 0 3 242.322 2.280 10 0 BEAEHN c1ccc2c(c1)cncc2[C@@H]1CCOCCN1 ZINC000616658719 351205318 /nfs/dbraw/zinc/20/53/18/351205318.db2.gz KPQBXYJJWRPOCI-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOC[C@H](c2ccc(Cl)cc2)C1 ZINC000616660183 351208946 /nfs/dbraw/zinc/20/89/46/351208946.db2.gz SWJKBHBGBJNSIH-LLVKDONJSA-N 0 3 225.719 2.386 10 0 BEAEHN CN1CCOC[C@H](c2cnc3ccccc3c2)C1 ZINC000616660898 351213069 /nfs/dbraw/zinc/21/30/69/351213069.db2.gz XITNWTXDHGFBLA-CQSZACIVSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)(C)N1CCOC[C@H](c2ccncc2)C1 ZINC000616662003 351216847 /nfs/dbraw/zinc/21/68/47/351216847.db2.gz YEOANADVBMZYGH-CYBMUJFWSA-N 0 3 234.343 2.296 10 0 BEAEHN CCN1CCOC[C@H](c2ccc(OC)cc2)C1 ZINC000616662064 351217504 /nfs/dbraw/zinc/21/75/04/351217504.db2.gz ZXDILYFMRRQLAE-CYBMUJFWSA-N 0 3 235.327 2.131 10 0 BEAEHN CN1CCOC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616662276 351217845 /nfs/dbraw/zinc/21/78/45/351217845.db2.gz ZXEFIJUTMULGJR-HNNXBMFYSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ncccn2)CC1 ZINC000616665192 351221826 /nfs/dbraw/zinc/22/18/26/351221826.db2.gz ADPQXKXHADVEGW-NSHDSACASA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2cccnc2N)CC1 ZINC000616665408 351222308 /nfs/dbraw/zinc/22/23/08/351222308.db2.gz HQYLMVDUQBYNKP-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ncco2)CC1 ZINC000616666373 351226924 /nfs/dbraw/zinc/22/69/24/351226924.db2.gz PQGVHXYGJFGLMI-SNVBAGLBSA-N 0 3 224.304 2.237 10 0 BEAEHN N[C@H]1COc2c1cc(Cl)c(F)c2F ZINC000306911675 351324287 /nfs/dbraw/zinc/32/42/87/351324287.db2.gz LEEGVWHECZVTHM-YFKPBYRVSA-N 0 3 205.591 2.010 10 0 BEAEHN C[C@@H]1N(Cc2ccccc2)CC[C@@]12NCCS2 ZINC000306987758 351404558 /nfs/dbraw/zinc/40/45/58/351404558.db2.gz QMUMAIYFLCORPO-JSGCOSHPSA-N 0 3 248.395 2.314 10 0 BEAEHN C[C@@H]1N(Cc2ccccc2)CC[C@]12NCCS2 ZINC000306987757 351403861 /nfs/dbraw/zinc/40/38/61/351403861.db2.gz QMUMAIYFLCORPO-GXTWGEPZSA-N 0 3 248.395 2.314 10 0 BEAEHN C[C@H]1N(Cc2ccccc2)CC[C@@]12NCCS2 ZINC000306987759 351404149 /nfs/dbraw/zinc/40/41/49/351404149.db2.gz QMUMAIYFLCORPO-OCCSQVGLSA-N 0 3 248.395 2.314 10 0 BEAEHN Brc1sccc1C=C1CNC1 ZINC000307037626 351438979 /nfs/dbraw/zinc/43/89/79/351438979.db2.gz ZKPGDUARXGQJMX-UHFFFAOYSA-N 0 3 230.130 2.497 10 0 BEAEHN c1cc(CCN2CCSCC2)cs1 ZINC000307003384 351414176 /nfs/dbraw/zinc/41/41/76/351414176.db2.gz DDZMCDUSFYVTLF-UHFFFAOYSA-N 0 3 213.371 2.339 10 0 BEAEHN N[C@@H](C[C@@H]1CCCCO1)c1ccsn1 ZINC000307160602 351511994 /nfs/dbraw/zinc/51/19/94/351511994.db2.gz DUCSAEFQTNZGOI-IUCAKERBSA-N 0 3 212.318 2.102 10 0 BEAEHN CC(C)CO[C@H]1Cc2ccccc2[C@H]1N ZINC000019268638 187486495 /nfs/dbraw/zinc/48/64/95/187486495.db2.gz ZRMVKXRSZHWSTQ-QWHCGFSZSA-N 0 3 205.301 2.284 10 0 BEAEHN CN(C)CCOC(=O)CCC1CCCCC1 ZINC000001842986 351556447 /nfs/dbraw/zinc/55/64/47/351556447.db2.gz MPOYJPINNSIHAK-UHFFFAOYSA-N 0 3 227.348 2.452 10 0 in-man BEAEHN Cc1ncc([C@H](C)NC[C@H]2CCC[C@H]2O)s1 ZINC000252725513 538101005 /nfs/dbraw/zinc/10/10/05/538101005.db2.gz MBAJRFWPUGHICO-JMJZKYOTSA-N 0 3 240.372 2.263 10 0 BEAEHN CCN[C@H](C)C(=O)NC1CCC(CC)CC1 ZINC000637920094 351795267 /nfs/dbraw/zinc/79/52/67/351795267.db2.gz WDIRZXKLQAAFGD-VOMCLLRMSA-N 0 3 226.364 2.069 10 0 BEAEHN NCc1cccnc1COCc1ccccc1 ZINC000307257528 351795789 /nfs/dbraw/zinc/79/57/89/351795789.db2.gz BGUPOIQMQOGYRC-UHFFFAOYSA-N 0 3 228.295 2.257 10 0 BEAEHN CC[C@@H](NC(=O)[C@H](N)CCC(C)C)C(C)C ZINC000637950650 351824917 /nfs/dbraw/zinc/82/49/17/351824917.db2.gz HZEWCEPGEMTBNS-VXGBXAGGSA-N 0 3 228.380 2.301 10 0 BEAEHN CC[C@@H](NC(=O)[C@@H](N)CCC(C)C)C(C)C ZINC000637950648 351825271 /nfs/dbraw/zinc/82/52/71/351825271.db2.gz HZEWCEPGEMTBNS-NWDGAFQWSA-N 0 3 228.380 2.301 10 0 BEAEHN Nc1c(F)cccc1CN1C[C@H]2CCC[C@H]21 ZINC000638084959 351961385 /nfs/dbraw/zinc/96/13/85/351961385.db2.gz SIMIJIYNWMDITN-BXKDBHETSA-N 0 3 220.291 2.392 10 0 BEAEHN N[C@@H](c1cnsc1)C1CCSCC1 ZINC000404731544 351994507 /nfs/dbraw/zinc/99/45/07/351994507.db2.gz RCPTWQIFIAURQS-SECBINFHSA-N 0 3 214.359 2.286 10 0 BEAEHN F[C@H](c1cscn1)[C@H]1CCCCN1 ZINC000307347901 352102881 /nfs/dbraw/zinc/10/28/81/352102881.db2.gz NKPAKBBAZAXTPV-APPZFPTMSA-N 0 3 200.282 2.296 10 0 BEAEHN CC1(C)CS[C@H]([C@H]2CCSC2)N1 ZINC000224676294 363117351 /nfs/dbraw/zinc/11/73/51/363117351.db2.gz XUVDSWDTMMMHHZ-JGVFFNPUSA-N 0 3 203.376 2.181 10 0 BEAEHN CCC[C@@H](N)C(=O)NC(CC)(C1CC1)C1CC1 ZINC000638507792 352329445 /nfs/dbraw/zinc/32/94/45/352329445.db2.gz AVTPZGRKAZZSQX-GFCCVEGCSA-N 0 3 238.375 2.199 10 0 BEAEHN CCN1CCC[C@@H](Nc2cccc(C)n2)C1 ZINC000040503206 352598433 /nfs/dbraw/zinc/59/84/33/352598433.db2.gz ZHMBZRAUZUGJKN-GFCCVEGCSA-N 0 3 219.332 2.286 10 0 BEAEHN CC1(C)[C@H](N)[C@@H]1c1ncc(Cl)s1 ZINC000300763935 352573739 /nfs/dbraw/zinc/57/37/39/352573739.db2.gz NQOKDMCPXVUCSY-PHDIDXHHSA-N 0 3 202.710 2.247 10 0 BEAEHN CSC1([C@@H]2NCCCS2)CCC1 ZINC000307568507 352657342 /nfs/dbraw/zinc/65/73/42/352657342.db2.gz VWNSSUJRADIZQD-MRVPVSSYSA-N 0 3 203.376 2.325 10 0 BEAEHN C[C@H](COCc1ccccc1)NCc1cn[nH]c1 ZINC000608067102 352663230 /nfs/dbraw/zinc/66/32/30/352663230.db2.gz VTACXHKOTKNVPH-GFCCVEGCSA-N 0 3 245.326 2.105 10 0 BEAEHN C[C@H]1CSC[C@@]12NC(C)(C)CS2 ZINC000307621307 352691667 /nfs/dbraw/zinc/69/16/67/352691667.db2.gz BVLVBJUWQANWJX-CBAPKCEASA-N 0 3 203.376 2.181 10 0 BEAEHN CSC1([C@@H]2N[C@H](C)CS2)CCC1 ZINC000307626767 352707523 /nfs/dbraw/zinc/70/75/23/352707523.db2.gz IALHFJRWSBCCSS-HTQZYQBOSA-N 0 3 203.376 2.323 10 0 BEAEHN OCc1ccc(CN2C[C@@H]3CCC[C@H]32)cc1 ZINC000334191394 352781846 /nfs/dbraw/zinc/78/18/46/352781846.db2.gz JTRWVEFUVHOAOK-UONOGXRCSA-N 0 3 217.312 2.163 10 0 BEAEHN Cn1nc(CN)cc1-c1ccc(Cl)s1 ZINC000082540972 180804753 /nfs/dbraw/zinc/80/47/53/180804753.db2.gz MGPRFPMOMGNTBY-UHFFFAOYSA-N 0 3 227.720 2.261 10 0 BEAEHN Brc1coc(CNC2CC2)c1 ZINC000306441631 353015054 /nfs/dbraw/zinc/01/50/54/353015054.db2.gz JLDZVFRSNHCFQV-UHFFFAOYSA-N 0 3 216.078 2.294 10 0 BEAEHN CC(C)C1CCN([C@@H]2CCCC2=O)CC1 ZINC000232544189 353122018 /nfs/dbraw/zinc/12/20/18/353122018.db2.gz QNECTUBFXOEXKN-GFCCVEGCSA-N 0 3 209.333 2.476 10 0 BEAEHN CCC[C@H](N)C(=O)Nc1nc(C(C)C)cs1 ZINC000049237316 353161646 /nfs/dbraw/zinc/16/16/46/353161646.db2.gz WDRZHBGBSRTURW-QMMMGPOBSA-N 0 3 241.360 2.332 10 0 BEAEHN Cn1nc(-c2ccc3c(c2)CCCC3)cc1CN ZINC000009280256 188103600 /nfs/dbraw/zinc/10/36/00/188103600.db2.gz KGODYPBOGQNYIZ-UHFFFAOYSA-N 0 3 241.338 2.425 10 0 BEAEHN CC(C)C[C@H](N)C(=O)NCCC1=CCCCC1 ZINC000011960898 188104790 /nfs/dbraw/zinc/10/47/90/188104790.db2.gz DOGVIHUNYXYWEZ-ZDUSSCGKSA-N 0 3 238.375 2.367 10 0 BEAEHN Cc1cccc(C(=O)Nc2cccc(CN)c2)n1 ZINC000022175981 188109551 /nfs/dbraw/zinc/10/95/51/188109551.db2.gz YFAWCBUHFPVRCF-UHFFFAOYSA-N 0 3 241.294 2.101 10 0 BEAEHN C=COCCCNCc1cccc2c1OCO2 ZINC000036168214 188112634 /nfs/dbraw/zinc/11/26/34/188112634.db2.gz SKFTUWGYWSNSOI-UHFFFAOYSA-N 0 3 235.283 2.055 10 0 BEAEHN CC(C)C[C@H](N)C(=O)N(CC(C)C)C(C)C ZINC000037810177 188114476 /nfs/dbraw/zinc/11/44/76/188114476.db2.gz BYRVBMRYZOZWGX-LBPRGKRZSA-N 0 3 228.380 2.253 10 0 BEAEHN CN(CC1CC1)[C@@H](CN)c1ccc(F)cc1F ZINC000037925195 188115346 /nfs/dbraw/zinc/11/53/46/188115346.db2.gz VDFRWUOEOJJOAP-ZDUSSCGKSA-N 0 3 240.297 2.306 10 0 BEAEHN CC(C)C[C@H](C)N(C)C(=O)[C@@](C)(N)C1CC1 ZINC000037807378 188115374 /nfs/dbraw/zinc/11/53/74/188115374.db2.gz OBOSXILGHYDXTK-GWCFXTLKSA-N 0 3 226.364 2.007 10 0 BEAEHN CC(C)(N)c1nc2cc(Cl)ccc2[nH]1 ZINC000040911220 188117809 /nfs/dbraw/zinc/11/78/09/188117809.db2.gz RFJOOFFCZARKSC-UHFFFAOYSA-N 0 3 209.680 2.410 10 0 BEAEHN CC(C)(N)c1nc2c(s1)CSCC2 ZINC000042335339 188119918 /nfs/dbraw/zinc/11/99/18/188119918.db2.gz PKKXOWFRUCVNEN-UHFFFAOYSA-N 0 3 214.359 2.126 10 0 BEAEHN c1ncn([C@@H]2CCCN([C@H]3C=CCCC3)C2)n1 ZINC000066539522 188129516 /nfs/dbraw/zinc/12/95/16/188129516.db2.gz SQOSOKJVZSZJFB-QWHCGFSZSA-N 0 3 232.331 2.024 10 0 BEAEHN Cn1nc(-c2ccc(Cl)cc2)cc1CN ZINC000009280254 188161200 /nfs/dbraw/zinc/16/12/00/188161200.db2.gz OFBVZGJMQYGLNA-UHFFFAOYSA-N 0 3 221.691 2.199 10 0 BEAEHN CC(C)N(Cc1nc2ccccc2o1)C[C@H](C)O ZINC000107044087 188166902 /nfs/dbraw/zinc/16/69/02/188166902.db2.gz JFRMSIOMSTVQNM-NSHDSACASA-N 0 3 248.326 2.419 10 0 BEAEHN CC(C)(C)c1c(CN)cncc1OC1CC1 ZINC000095738157 188146209 /nfs/dbraw/zinc/14/62/09/188146209.db2.gz PFMIDTHFKUCALQ-UHFFFAOYSA-N 0 3 220.316 2.379 10 0 BEAEHN CN[C@@H](c1cncs1)C1=COCCC1 ZINC000160137092 353250246 /nfs/dbraw/zinc/25/02/46/353250246.db2.gz SCVNFFPDFDOOGG-SNVBAGLBSA-N 0 3 210.302 2.098 10 0 BEAEHN COc1cc(Cl)c(C)cc1NC1=NCCN1 ZINC000165683405 538114273 /nfs/dbraw/zinc/11/42/73/538114273.db2.gz LPGKLZSBHWCATL-UHFFFAOYSA-N 0 3 239.706 2.028 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cccnc1 ZINC000252661387 353303386 /nfs/dbraw/zinc/30/33/86/353303386.db2.gz JHEBYCNPQKMHEU-HIFRSBDPSA-N 0 3 245.370 2.140 10 0 BEAEHN COC1(c2ncc(CN)s2)CCCC1 ZINC000128928840 353305460 /nfs/dbraw/zinc/30/54/60/353305460.db2.gz KMKGZSIJMMAHMJ-UHFFFAOYSA-N 0 3 212.318 2.018 10 0 BEAEHN CC(=O)CCN1CCC(OC2CCCC2)CC1 ZINC000121110857 188430083 /nfs/dbraw/zinc/43/00/83/188430083.db2.gz XOECAFMIECCYAZ-UHFFFAOYSA-N 0 3 239.359 2.389 10 0 BEAEHN CSC1(CN2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000334711624 354508223 /nfs/dbraw/zinc/50/82/23/354508223.db2.gz UREPMVKSLVTOIN-GHMZBOCLSA-N 0 3 229.389 2.381 10 0 BEAEHN CCC(C)(C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000335202663 355036869 /nfs/dbraw/zinc/03/68/69/355036869.db2.gz ILUWZRMVNJGAIS-NEPJUHHUSA-N 0 3 238.375 2.118 10 0 BEAEHN CCN1CCC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000040503114 358494388 /nfs/dbraw/zinc/49/43/88/358494388.db2.gz IBRXYYPIEZIMQP-LLVKDONJSA-N 0 3 244.342 2.459 10 0 BEAEHN N=C(N)c1cccc(-c2cccc(F)c2)n1 ZINC000071186719 181195031 /nfs/dbraw/zinc/19/50/31/181195031.db2.gz FTJZZEWEXMTRCK-UHFFFAOYSA-N 0 3 215.231 2.172 10 0 BEAEHN C[C@@H]1Oc2cc(F)c(Cl)cc2[C@H]1N ZINC000134375332 355594120 /nfs/dbraw/zinc/59/41/20/355594120.db2.gz FGGCTPMOWSXBBT-IGJIYHIXSA-N 0 3 201.628 2.260 10 0 BEAEHN CCOc1ccccc1CN[C@@H]1CCN(CC)C1 ZINC000389194672 355835679 /nfs/dbraw/zinc/83/56/79/355835679.db2.gz WRWGZKXXSMNWKH-CQSZACIVSA-N 0 3 248.370 2.269 10 0 BEAEHN C[C@@H]1CN[C@H]([C@H]2CCSC2)SC1 ZINC000300209113 358499587 /nfs/dbraw/zinc/49/95/87/358499587.db2.gz FVLHYXLDYYZLQJ-VGMNWLOBSA-N 0 3 203.376 2.038 10 0 BEAEHN NC1(c2c(Cl)cccc2Cl)CC(O)C1 ZINC000675058709 538482503 /nfs/dbraw/zinc/48/25/03/538482503.db2.gz UPVUOGNZUULGEZ-UHFFFAOYSA-N 0 3 232.110 2.302 10 0 BEAEHN COc1nc2ccc(C)cc2cc1CN ZINC000675070388 538501360 /nfs/dbraw/zinc/50/13/60/538501360.db2.gz WNZQNIMJOILWBF-UHFFFAOYSA-N 0 3 202.257 2.011 10 0 BEAEHN c1coc(-c2nc3c(s2)CNCC3)c1 ZINC000053335931 356667674 /nfs/dbraw/zinc/66/76/74/356667674.db2.gz DDOIMXZSLABFOL-UHFFFAOYSA-N 0 3 206.270 2.049 10 0 BEAEHN O[C@@H]1C=C(c2cscc2C(F)F)CNC1 ZINC000675078301 538514741 /nfs/dbraw/zinc/51/47/41/538514741.db2.gz WZZIPZDNSQEJIY-SSDOTTSWSA-N 0 3 231.267 2.033 10 0 BEAEHN CC(C)CC[C@H]1NCCc2ncn(C)c21 ZINC000220260776 538538351 /nfs/dbraw/zinc/53/83/51/538538351.db2.gz IASMAIWZLBPUKT-SNVBAGLBSA-N 0 3 207.321 2.043 10 0 BEAEHN Cn1cnc2c1[C@@H](C1CCCCC1)NCC2 ZINC000084011974 538525089 /nfs/dbraw/zinc/52/50/89/538525089.db2.gz NVFLSSVVILPUBE-GFCCVEGCSA-N 0 3 219.332 2.187 10 0 BEAEHN CCN1CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000389576291 356994674 /nfs/dbraw/zinc/99/46/74/356994674.db2.gz XCAZPCZVHVQBGY-SECBINFHSA-N 0 3 228.723 2.117 10 0 BEAEHN CCC[C@@H]1C[C@H]1NC[C@@](C)(O)C(F)(F)F ZINC000389716469 357018662 /nfs/dbraw/zinc/01/86/62/357018662.db2.gz OBEDAFRXRJZCMO-IWSPIJDZSA-N 0 3 225.254 2.078 10 0 BEAEHN CCc1ccc(CNC[C@@H]2CCCN2C)o1 ZINC000131210886 325125875 /nfs/dbraw/zinc/12/58/75/325125875.db2.gz CUEMXDNHLUYIPG-NSHDSACASA-N 0 3 222.332 2.026 10 0 BEAEHN CC/C=C\CCN1CCCC[C@@]1(C)C(N)=O ZINC000588477418 538852512 /nfs/dbraw/zinc/85/25/12/538852512.db2.gz IDLWABNPMMAYDN-ZFDPJTLLSA-N 0 3 224.348 2.073 10 0 BEAEHN COC[C@@H](C)CN(C)Cc1ccccc1OC ZINC000131913905 325190572 /nfs/dbraw/zinc/19/05/72/325190572.db2.gz AVDDTIWTPLCUSF-LBPRGKRZSA-N 0 3 237.343 2.410 10 0 BEAEHN CC(C)(C)CCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188524577 357558346 /nfs/dbraw/zinc/55/83/46/357558346.db2.gz KFVGYLGNBIKNSA-WDEREUQCSA-N 0 3 244.354 2.019 10 0 BEAEHN c1cc2c(cc1C1CCC1)OCCNC2 ZINC000685948256 538890417 /nfs/dbraw/zinc/89/04/17/538890417.db2.gz DOEOVPAIGLXWKN-UHFFFAOYSA-N 0 3 203.285 2.436 10 0 BEAEHN CC(C)[C@@H](C)NCc1cn(C(C)(C)C)nn1 ZINC000189942086 357676883 /nfs/dbraw/zinc/67/68/83/357676883.db2.gz RXXUUPBDYPRNKV-SNVBAGLBSA-N 0 3 224.352 2.167 10 0 BEAEHN CC(C)=CCN[C@@H]1CCN(c2ncccc2F)C1 ZINC000191109419 357750599 /nfs/dbraw/zinc/75/05/99/357750599.db2.gz VIDHNBNOXQQZPE-GFCCVEGCSA-N 0 3 249.333 2.355 10 0 BEAEHN C[C@H](O)CN1CC=C(c2cccs2)CC1 ZINC000192983579 357863189 /nfs/dbraw/zinc/86/31/89/357863189.db2.gz WBLLSCMULGBWFS-JTQLQIEISA-N 0 3 223.341 2.218 10 0 BEAEHN CCC[C@H](N)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000037807171 358086656 /nfs/dbraw/zinc/08/66/56/358086656.db2.gz RJIDIYXASWHFPH-UWVGGRQHSA-N 0 3 214.353 2.007 10 0 BEAEHN Cc1ccc(C)c2c1OC[C@H](CN(C)C)O2 ZINC000584614977 358279595 /nfs/dbraw/zinc/27/95/95/358279595.db2.gz CMHLFKSYXMHTLB-NSHDSACASA-N 0 3 221.300 2.005 10 0 BEAEHN CCN(CC)CCNN[C@@H](C)Cc1ccccc1 ZINC000584601598 358258611 /nfs/dbraw/zinc/25/86/11/358258611.db2.gz BYNHWBJKZGUEPZ-AWEZNQCLSA-N 0 3 249.402 2.054 10 0 BEAEHN COc1ccc2c(c1)[C@@]1(C)C[C@@H](C2)CN(C)C1 ZINC000584615772 358280457 /nfs/dbraw/zinc/28/04/57/358280457.db2.gz DOJBXJAAEOYSIP-ABAIWWIYSA-N 0 3 231.339 2.461 10 0 BEAEHN Cc1c2nccn2nc(-c2ccccc2)c1CN ZINC000584641136 358327162 /nfs/dbraw/zinc/32/71/62/358327162.db2.gz JCGQHWHOVQYVRC-UHFFFAOYSA-N 0 3 238.294 2.163 10 0 BEAEHN CC(C)CC[C@@](C)(O)CNCc1cncs1 ZINC000124317326 358516160 /nfs/dbraw/zinc/51/61/60/358516160.db2.gz KPSDVPYSUZICAQ-GFCCVEGCSA-N 0 3 242.388 2.420 10 0 BEAEHN COC(=O)c1coc(CN[C@@H](C)CC2CC2)c1 ZINC000130785033 358643822 /nfs/dbraw/zinc/64/38/22/358643822.db2.gz LIUSCTZGCBABGG-VIFPVBQESA-N 0 3 237.299 2.344 10 0 BEAEHN C[C@@H](NCC1(CCO)CCC1)c1cncs1 ZINC000130996287 358656335 /nfs/dbraw/zinc/65/63/35/358656335.db2.gz QTKFNGGTMXLHLZ-SNVBAGLBSA-N 0 3 240.372 2.346 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCCN(CC)C2)o1 ZINC000051724674 358760566 /nfs/dbraw/zinc/76/05/66/358760566.db2.gz JUENAXYMLIVDPO-GFCCVEGCSA-N 0 3 236.359 2.416 10 0 BEAEHN CC(C)c1ccc(CN[C@@H]2CCCNC2=O)cc1 ZINC000050394108 358726595 /nfs/dbraw/zinc/72/65/95/358726595.db2.gz LPWIOKRIUSGAET-CQSZACIVSA-N 0 3 246.354 2.178 10 0 BEAEHN COc1c(CNC[C@@H](C)C(C)C)c(C)nn1C ZINC000134913818 358811269 /nfs/dbraw/zinc/81/12/69/358811269.db2.gz FDCUEQMBVGKPKU-SNVBAGLBSA-N 0 3 239.363 2.119 10 0 BEAEHN CC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898318 358840362 /nfs/dbraw/zinc/84/03/62/358840362.db2.gz VJHUEUHKSNKKMP-WCQYABFASA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@@H](N[C@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898317 358841075 /nfs/dbraw/zinc/84/10/75/358841075.db2.gz VJHUEUHKSNKKMP-DGCLKSJQSA-N 0 3 234.343 2.218 10 0 BEAEHN CC[C@@H]1CCCCN1CC(=O)NC(C)(C)C ZINC000058874247 358915345 /nfs/dbraw/zinc/91/53/45/358915345.db2.gz LEGMVYVNDLAMMH-LLVKDONJSA-N 0 3 226.364 2.166 10 0 BEAEHN C[C@@H]1CN[C@H]([C@@H]2CCCSC2)SC1 ZINC000306150603 358873009 /nfs/dbraw/zinc/87/30/09/358873009.db2.gz DHEMKTQGVNWGFL-BBBLOLIVSA-N 0 3 217.403 2.428 10 0 BEAEHN C[C@@H]1CSC(N[C@@H]2CCC(F)(F)C2)=N1 ZINC000306172338 358981912 /nfs/dbraw/zinc/98/19/12/358981912.db2.gz LFFGDIONWPEWJI-RNFRBKRXSA-N 0 3 220.288 2.255 10 0 BEAEHN C[C@@H]1C[C@@H]1NC1=N[C@H]2CCC[C@@H]2CS1 ZINC000300402775 358989915 /nfs/dbraw/zinc/98/99/15/358989915.db2.gz QYCBJCWDGADGTA-IMSYWVGJSA-N 0 3 210.346 2.256 10 0 BEAEHN N[C@H](c1ccsn1)[C@@H]1CCCCS1 ZINC000306184750 359002349 /nfs/dbraw/zinc/00/23/49/359002349.db2.gz FBOIDNVUBFRSKC-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN COCCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000074352206 359116529 /nfs/dbraw/zinc/11/65/29/359116529.db2.gz ZWJDXYGWDNBOHP-QWHCGFSZSA-N 0 3 227.348 2.056 10 0 BEAEHN COCCOCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000246989667 359181760 /nfs/dbraw/zinc/18/17/60/359181760.db2.gz KEKHMIKTZIJABD-DZGCQCFKSA-N 0 3 249.354 2.342 10 0 BEAEHN CCC(CC)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246819434 359167315 /nfs/dbraw/zinc/16/73/15/359167315.db2.gz CKVPKYGIIPPLEB-YPMHNXCESA-N 0 3 238.375 2.118 10 0 BEAEHN CCC[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000247527717 359231295 /nfs/dbraw/zinc/23/12/95/359231295.db2.gz XGBNUFBLPAXUHJ-YNEHKIRRSA-N 0 3 238.375 2.118 10 0 BEAEHN C[C@@H](N)[C@@](C)(F)c1cc(F)ccc1F ZINC000306214617 359316998 /nfs/dbraw/zinc/31/69/98/359316998.db2.gz ZLHINMDBGWNWOQ-LHLIQPBNSA-N 0 3 203.207 2.497 10 0 BEAEHN C[C@@H]1CN=C(NCCC(C)(F)F)S1 ZINC000306221644 359343464 /nfs/dbraw/zinc/34/34/64/359343464.db2.gz QDNPDQJTIUWKSJ-ZCFIWIBFSA-N 0 3 208.277 2.113 10 0 BEAEHN CO[C@](C)(CN)c1c(F)cccc1Cl ZINC000306262781 359483163 /nfs/dbraw/zinc/48/31/63/359483163.db2.gz XUHLJASBGDMWTO-SNVBAGLBSA-N 0 3 217.671 2.299 10 0 BEAEHN Cc1nc(C2(N)CCC2)ccc1Br ZINC000306349072 359669469 /nfs/dbraw/zinc/66/94/69/359669469.db2.gz KSQOMLQVRJLQCR-UHFFFAOYSA-N 0 3 241.132 2.490 10 0 BEAEHN CNC(C)(C)C(=O)c1cc(C)cc(F)c1 ZINC000169183469 359699812 /nfs/dbraw/zinc/69/98/12/359699812.db2.gz AWBKXIKSOHFUFL-UHFFFAOYSA-N 0 3 209.264 2.315 10 0 BEAEHN C[C@@H]1C[C@@H]1NC1=N[C@@H]2CCC[C@@H]2CS1 ZINC000231339311 359815033 /nfs/dbraw/zinc/81/50/33/359815033.db2.gz QYCBJCWDGADGTA-KYXWUPHJSA-N 0 3 210.346 2.256 10 0 BEAEHN CO[C@@H](CN)c1cscc1Br ZINC000306459532 360056876 /nfs/dbraw/zinc/05/68/76/360056876.db2.gz GXTLSSDRKLXVRD-ZETCQYMHSA-N 0 3 236.134 2.157 10 0 BEAEHN CC(C)n1cncc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000090207725 360064478 /nfs/dbraw/zinc/06/44/78/360064478.db2.gz DIGGXQZONJBPNI-AAEUAGOBSA-N 0 3 237.347 2.121 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)C(C)(C)C ZINC000090224336 360066803 /nfs/dbraw/zinc/06/68/03/360066803.db2.gz BCWFWXOBROBEFR-GXSJLCMTSA-N 0 3 236.363 2.446 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)C(C)C ZINC000090227539 360067262 /nfs/dbraw/zinc/06/72/62/360067262.db2.gz UQEDXUHMBMSQKG-MWLCHTKSSA-N 0 3 222.336 2.056 10 0 BEAEHN C[C@@H]1CN(C)C[C@H]1Nc1ncc(Cl)s1 ZINC000306466079 360079576 /nfs/dbraw/zinc/07/95/76/360079576.db2.gz KHFPBAMUVZSYIL-RNFRBKRXSA-N 0 3 231.752 2.159 10 0 BEAEHN C[C@@H]1C[C@@H](C)O[C@@](C)(C(F)(F)F)CN1 ZINC000306469136 360084143 /nfs/dbraw/zinc/08/41/43/360084143.db2.gz OWCAKYPGMBGYDK-BWZBUEFSSA-N 0 3 211.227 2.094 10 0 BEAEHN COc1ccc([C@H]2CCN2)c(Br)c1 ZINC000306490214 360198992 /nfs/dbraw/zinc/19/89/92/360198992.db2.gz YIWCYEBVJTZMFA-SNVBAGLBSA-N 0 3 242.116 2.492 10 0 BEAEHN NCC[S@](=O)c1ccc(Cl)cc1Cl ZINC000306482621 360157356 /nfs/dbraw/zinc/15/73/56/360157356.db2.gz DUHVSBJKRSGNFO-ZDUSSCGKSA-N 0 3 238.139 2.060 10 0 BEAEHN CCN1C[C@H](NCc2ccoc2C)[C@@H](C)C1 ZINC000309460668 491148648 /nfs/dbraw/zinc/14/86/48/491148648.db2.gz NVDUCKIMHIWKSY-GWCFXTLKSA-N 0 3 222.332 2.018 10 0 BEAEHN CCN1C[C@H](C)[C@H](NCc2ccoc2C)C1 ZINC000309460670 491148652 /nfs/dbraw/zinc/14/86/52/491148652.db2.gz NVDUCKIMHIWKSY-GXFFZTMASA-N 0 3 222.332 2.018 10 0 BEAEHN C[C@H]1CSCCN([C@@H]2CCCCC2=O)C1 ZINC000306566734 360446011 /nfs/dbraw/zinc/44/60/11/360446011.db2.gz YWZJTPXIUCZWDR-GHMZBOCLSA-N 0 3 227.373 2.183 10 0 BEAEHN COC1([C@@H]2NC[C@H](C)S2)CCCCC1 ZINC000306536963 360403254 /nfs/dbraw/zinc/40/32/54/360403254.db2.gz KYGOBGDORRYVBI-VHSXEESVSA-N 0 3 215.362 2.387 10 0 BEAEHN N[C@@H](C[C@@H]1CCOC1)c1sccc1F ZINC000306586399 360484858 /nfs/dbraw/zinc/48/48/58/360484858.db2.gz RIFZWSMFKXXUSQ-CBAPKCEASA-N 0 3 215.293 2.314 10 0 BEAEHN Cc1ncc([C@H](C)N[C@H]2CCC[C@H](O)C2)s1 ZINC000309549242 491151126 /nfs/dbraw/zinc/15/11/26/491151126.db2.gz HPPNCCRSBDAXGO-LSJOCFKGSA-N 0 3 240.372 2.406 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCO[C@@H]2C)c(F)c1 ZINC000631104930 360948289 /nfs/dbraw/zinc/94/82/89/360948289.db2.gz QBCIVOKJXDDPOR-ZWNOBZJWSA-N 0 3 223.291 2.401 10 0 BEAEHN C[C@@H]1C[C@@H](N)c2cc(Cl)ccc2[S@@]1=O ZINC000040973641 360983271 /nfs/dbraw/zinc/98/32/71/360983271.db2.gz LWTSPODBKHITGB-PHUZMZJCSA-N 0 3 229.732 2.240 10 0 BEAEHN Cc1cc(Br)cc2c1CNC2 ZINC000238463384 361086690 /nfs/dbraw/zinc/08/66/90/361086690.db2.gz CUSSFHBEIGYUIX-UHFFFAOYSA-N 0 3 212.090 2.361 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1cc(Cl)cnc1N ZINC000069943639 361177883 /nfs/dbraw/zinc/17/78/83/361177883.db2.gz PHVAJJONPAGZFQ-IMTBSYHQSA-N 0 3 213.712 2.363 10 0 BEAEHN NC1(c2c(F)cc(F)cc2F)CCC1 ZINC000075934038 181332317 /nfs/dbraw/zinc/33/23/17/181332317.db2.gz LVBHDDOSLROGGZ-UHFFFAOYSA-N 0 3 201.191 2.442 10 0 BEAEHN C[C@H]1Oc2c(ccc(Cl)c2F)[C@@H]1N ZINC000130685232 364417972 /nfs/dbraw/zinc/41/79/72/364417972.db2.gz HLKMBBLZLVGROU-SPGJFGJESA-N 0 3 201.628 2.260 10 0 BEAEHN COC(=O)C[C@@H](N)c1ccc(OC(C)C)cc1 ZINC000037742817 364573929 /nfs/dbraw/zinc/57/39/29/364573929.db2.gz UQFMSNLYKARJDH-GFCCVEGCSA-N 0 3 237.299 2.037 10 0 BEAEHN Cc1[n-]n(C)c(=O)c1-c1ccc(C[NH+](C)C)cc1 ZINC000675053011 541430779 /nfs/dbraw/zinc/43/07/79/541430779.db2.gz DFWJDGFHGCXYKU-UHFFFAOYSA-N 0 3 245.326 2.163 10 0 BEAEHN CN[C@H](C)C(=O)N(CC(C)C)C1CCCC1 ZINC000087286604 365399522 /nfs/dbraw/zinc/39/95/22/365399522.db2.gz SPIOSHIUWIGATQ-LLVKDONJSA-N 0 3 226.364 2.022 10 0 BEAEHN CC[C@H](C)c1nc([C@@H](N)C(C)(C)C)n[nH]1 ZINC000675060685 541463869 /nfs/dbraw/zinc/46/38/69/541463869.db2.gz LURSKXHDOOSSRV-JGVFFNPUSA-N 0 3 210.325 2.364 10 0 BEAEHN CC(C)(C)c1cccc2cc(CN)c(=O)[nH]c21 ZINC000011980173 541481582 /nfs/dbraw/zinc/48/15/82/541481582.db2.gz KKOOVFHUWFBACN-UHFFFAOYSA-N 0 3 230.311 2.284 10 0 BEAEHN CC[C@H](C)[C@@H](C)NCc1nnc(C(C)C)n1C ZINC000183054717 366971137 /nfs/dbraw/zinc/97/11/37/366971137.db2.gz OUPKIYNUZZPZLC-WDEREUQCSA-N 0 3 238.379 2.463 10 0 BEAEHN COc1cc(CN[C@H](C)C(C)C)sn1 ZINC000399186784 367893746 /nfs/dbraw/zinc/89/37/46/367893746.db2.gz VTZQZXACACXAPU-MRVPVSSYSA-N 0 3 214.334 2.286 10 0 BEAEHN O=C1[N-]C(=S)OC1c1cccc2ccccc21 ZINC000039193513 368329188 /nfs/dbraw/zinc/32/91/88/368329188.db2.gz XANGJMDFCYLTED-LLVKDONJSA-N 0 3 243.287 2.312 10 0 BEAEHN O=C1NC(=S)OC1c1cccc2ccccc21 ZINC000039193513 368329191 /nfs/dbraw/zinc/32/91/91/368329191.db2.gz XANGJMDFCYLTED-LLVKDONJSA-N 0 3 243.287 2.312 10 0 BEAEHN CCC(C)(C)NC(=O)CN1CCCCCC1 ZINC000061804312 368571818 /nfs/dbraw/zinc/57/18/18/368571818.db2.gz STTOJCDLZDMJNV-UHFFFAOYSA-N 0 3 226.364 2.167 10 0 BEAEHN CCN(CC)CCOC(=O)N1CCC(C)CC1 ZINC000003599656 368874846 /nfs/dbraw/zinc/87/48/46/368874846.db2.gz MABZSQIIGLABCN-UHFFFAOYSA-N 0 3 242.363 2.197 10 0 BEAEHN CC[NH2+]CC/N=C/c1cc(Cl)ccc1[O-] ZINC000090460251 368983296 /nfs/dbraw/zinc/98/32/96/368983296.db2.gz ZDNVXKXFYNFKLU-RIYZIHGNSA-N 0 3 226.707 2.074 10 0 BEAEHN CCN(Cc1ccccn1)CC(O)(CC)CC ZINC000165507763 203386386 /nfs/dbraw/zinc/38/63/86/203386386.db2.gz ORUKQGZVVAVUSI-UHFFFAOYSA-N 0 3 236.359 2.455 10 0 BEAEHN NCc1csc(Nc2ccccc2)n1 ZINC000011850540 181497347 /nfs/dbraw/zinc/49/73/47/181497347.db2.gz ZQTWTMGYRYYPMZ-UHFFFAOYSA-N 0 3 205.286 2.345 10 0 BEAEHN Cc1ccc2c(c1)[C@H](NCc1cn[nH]c1)CC2 ZINC000113310479 370399958 /nfs/dbraw/zinc/39/99/58/370399958.db2.gz DFLIKIRUNZUTFD-CQSZACIVSA-N 0 3 227.311 2.495 10 0 BEAEHN C[C@@H](N)c1csc(-c2nccs2)n1 ZINC000161603308 370569579 /nfs/dbraw/zinc/56/95/79/370569579.db2.gz LBXSGNPTCKKULZ-RXMQYKEDSA-N 0 3 211.315 2.286 10 0 BEAEHN N[C@@H]1CCCc2c(OCC(F)(F)F)ccnc21 ZINC000095221077 181586443 /nfs/dbraw/zinc/58/64/43/181586443.db2.gz ARVDHHVVRDCQQJ-MRVPVSSYSA-N 0 3 246.232 2.359 10 0 BEAEHN N[C@H](c1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000050960923 181632535 /nfs/dbraw/zinc/63/25/35/181632535.db2.gz XMEUAMUPORIJFV-UONOGXRCSA-N 0 3 233.311 2.190 10 0 BEAEHN Cc1ccoc1CNCC[C@H]1CCCO1 ZINC000126655405 371542896 /nfs/dbraw/zinc/54/28/96/371542896.db2.gz AXNPVDXNMSLQPC-LLVKDONJSA-N 0 3 209.289 2.247 10 0 BEAEHN CO[C@H](CN)c1ccc(Br)c(F)c1 ZINC000161969161 371596406 /nfs/dbraw/zinc/59/64/06/371596406.db2.gz ZZBSHJGJNHDVME-SECBINFHSA-N 0 3 248.095 2.234 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1ccc(SC)cc1 ZINC000002582537 371604890 /nfs/dbraw/zinc/60/48/90/371604890.db2.gz JDCKIJHPCOAUKZ-LLVKDONJSA-N 0 3 239.340 2.362 10 0 BEAEHN C[C@H](N)c1cnc(N2CC[C@@H](C)C2)s1 ZINC000226645395 371713064 /nfs/dbraw/zinc/71/30/64/371713064.db2.gz VJUJANIUYUBZPW-SFYZADRCSA-N 0 3 211.334 2.009 10 0 BEAEHN CCCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000132182329 371761102 /nfs/dbraw/zinc/76/11/02/371761102.db2.gz ZQVNRTLEIMXIII-AWEZNQCLSA-N 0 3 248.370 2.076 10 0 BEAEHN CN[C@H](c1ccsc1C)[C@@H]1CCCO1 ZINC000227792266 371939919 /nfs/dbraw/zinc/93/99/19/371939919.db2.gz FAJQFURLYQRIIA-WDEREUQCSA-N 0 3 211.330 2.496 10 0 BEAEHN CN(C)[C@@H](CN)c1ccc(Cl)cc1F ZINC000162990366 371903857 /nfs/dbraw/zinc/90/38/57/371903857.db2.gz ZVUKCWWSUZSNPG-JTQLQIEISA-N 0 3 216.687 2.041 10 0 BEAEHN CO[C@H](CN)c1sccc1Br ZINC000228023681 371978398 /nfs/dbraw/zinc/97/83/98/371978398.db2.gz WYPITCUGGGFPRC-ZCFIWIBFSA-N 0 3 236.134 2.157 10 0 BEAEHN CC(C)(N)C(=O)Cc1cccc(Cl)c1F ZINC000228430725 372026135 /nfs/dbraw/zinc/02/61/35/372026135.db2.gz MWARSBDJSOYERL-UHFFFAOYSA-N 0 3 229.682 2.328 10 0 BEAEHN N[C@@H]1CCCc2c(F)cc(F)c(F)c21 ZINC000228799162 372081436 /nfs/dbraw/zinc/08/14/36/372081436.db2.gz GNVFRCYZIXJOPX-MRVPVSSYSA-N 0 3 201.191 2.440 10 0 BEAEHN CCOC(=O)C[C@H](N)c1cccc(Cl)c1F ZINC000229247229 372131906 /nfs/dbraw/zinc/13/19/06/372131906.db2.gz DZWHCZXLWKGPMD-VIFPVBQESA-N 0 3 245.681 2.432 10 0 BEAEHN Cc1cc([C@H](N)[C@H]2OCC[C@@H]2C)cs1 ZINC000229451623 372152873 /nfs/dbraw/zinc/15/28/73/372152873.db2.gz ZEUPLSQHQUUIRV-SWPVVBRQSA-N 0 3 211.330 2.481 10 0 BEAEHN NCc1cc2c([nH]1)c(F)cc(F)c2F ZINC000070041776 374111389 /nfs/dbraw/zinc/11/13/89/374111389.db2.gz UNIAPLVBIYNXTA-UHFFFAOYSA-N 0 3 200.163 2.044 10 0 BEAEHN O=C(c1cccc(Cl)c1)[C@H]1CCCN1 ZINC000041219094 374121000 /nfs/dbraw/zinc/12/10/00/374121000.db2.gz GDKUSMLBTLVDLG-SNVBAGLBSA-N 0 3 209.676 2.275 10 0 BEAEHN N[C@@H](c1nc2c(s1)CSCC2)C1CC1 ZINC000042335335 374262750 /nfs/dbraw/zinc/26/27/50/374262750.db2.gz CEAZGWUELYVREX-SECBINFHSA-N 0 3 226.370 2.342 10 0 BEAEHN CCCCNc1nc2c(s1)CN[C@H](C)C2 ZINC000039110849 168882161 /nfs/dbraw/zinc/88/21/61/168882161.db2.gz KBCHOHCOSQDERH-MRVPVSSYSA-N 0 3 225.361 2.389 10 0 BEAEHN OCC1(NCc2coc3ccccc23)CC1 ZINC000120388428 183038163 /nfs/dbraw/zinc/03/81/63/183038163.db2.gz SKFSULMOBGPQLL-UHFFFAOYSA-N 0 3 217.268 2.047 10 0 BEAEHN OC[C@@H]1CCCCN(CCC(F)(F)F)C1 ZINC000363354759 183116754 /nfs/dbraw/zinc/11/67/54/183116754.db2.gz DOFFDBPYRCYQNE-SECBINFHSA-N 0 3 225.254 2.033 10 0 BEAEHN CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000037823981 169005723 /nfs/dbraw/zinc/00/57/23/169005723.db2.gz OEYVZMHFDIWEJE-AAEUAGOBSA-N 0 3 249.358 2.119 10 0 BEAEHN CCCC[C@H](NCC(N)=O)c1ccc(F)cc1 ZINC000020083338 169011428 /nfs/dbraw/zinc/01/14/28/169011428.db2.gz KEOICPCTZATKAM-LBPRGKRZSA-N 0 3 238.306 2.132 10 0 BEAEHN OC[C@@H](NC1CC1)c1cccc(Cl)c1 ZINC000038124259 183107105 /nfs/dbraw/zinc/10/71/05/183107105.db2.gz JVMNYYAAXSVKTJ-LLVKDONJSA-N 0 3 211.692 2.125 10 0 BEAEHN OC[C@@H](NC1CC1)c1ccc(Cl)cc1 ZINC000038124251 183108522 /nfs/dbraw/zinc/10/85/22/183108522.db2.gz ZYPKEXALBZCKQP-LLVKDONJSA-N 0 3 211.692 2.125 10 0 BEAEHN OC[C@@H](N[C@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001975 183109597 /nfs/dbraw/zinc/10/95/97/183109597.db2.gz JOFLEIBODMZXIG-ZNMIVQPWSA-N 0 3 249.354 2.003 10 0 BEAEHN CCCCc1ccc(-n2cc(CN)nn2)cc1 ZINC000050224158 169019511 /nfs/dbraw/zinc/01/95/11/169019511.db2.gz ZJTFCQGKIVSXSJ-UHFFFAOYSA-N 0 3 230.315 2.069 10 0 BEAEHN OC[C@H]1CCCCN(Cc2ccccc2F)C1 ZINC000374051016 183146954 /nfs/dbraw/zinc/14/69/54/183146954.db2.gz NVTRZAOTHNLJGR-LBPRGKRZSA-N 0 3 237.318 2.420 10 0 BEAEHN OC[C@]1(NCc2ccccc2)CCCSC1 ZINC000061590840 183159460 /nfs/dbraw/zinc/15/94/60/183159460.db2.gz NBYUTANGLAHUPJ-CYBMUJFWSA-N 0 3 237.368 2.034 10 0 BEAEHN O[C@@H](CN1CCCSCC1)c1ccccc1 ZINC000042444416 183175020 /nfs/dbraw/zinc/17/50/20/183175020.db2.gz FSWNAZVHAUJDLP-ZDUSSCGKSA-N 0 3 237.368 2.159 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2ccccc2F)C1 ZINC000037166280 183196075 /nfs/dbraw/zinc/19/60/75/183196075.db2.gz WWSINUJDIZDUNF-VXGBXAGGSA-N 0 3 223.291 2.219 10 0 BEAEHN O[C@@H]1CCCN[C@@H]1c1ccccc1Cl ZINC000082372976 183193623 /nfs/dbraw/zinc/19/36/23/183193623.db2.gz ALSKCVLWZUYSNV-GHMZBOCLSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@@]1(c2cc3ccccc3o2)CN2CCC1CC2 ZINC000013740301 183217562 /nfs/dbraw/zinc/21/75/62/183217562.db2.gz POFHOXXJFNDMNR-HNNXBMFYSA-N 0 3 243.306 2.346 10 0 BEAEHN CCCN(CC)CC(=O)Nc1c(C)cccc1N ZINC000037273278 169120055 /nfs/dbraw/zinc/12/00/55/169120055.db2.gz CWDDTTLBSWHIEO-UHFFFAOYSA-N 0 3 249.358 2.248 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2ccccc2F)C1 ZINC000037166278 183235785 /nfs/dbraw/zinc/23/57/85/183235785.db2.gz WWSINUJDIZDUNF-NEPJUHHUSA-N 0 3 223.291 2.219 10 0 BEAEHN Oc1ccc2c(c1)OC[C@H]2NCCc1ccco1 ZINC000035661585 183282124 /nfs/dbraw/zinc/28/21/24/183282124.db2.gz QMPCYDLCKOPXNY-CYBMUJFWSA-N 0 3 245.278 2.251 10 0 BEAEHN CCCN1CCC=C(c2csc(N)n2)C1 ZINC000003647370 169192100 /nfs/dbraw/zinc/19/21/00/169192100.db2.gz VJPANQWIZQHGMJ-UHFFFAOYSA-N 0 3 223.345 2.224 10 0 BEAEHN CCCN1CCCN(c2nc(C)cc(C)n2)CC1 ZINC000301125976 169192662 /nfs/dbraw/zinc/19/26/62/169192662.db2.gz OGWTULYZOAOYAX-UHFFFAOYSA-N 0 3 248.374 2.016 10 0 BEAEHN c1cc2c(cccc2[C@H]2NCCc3nc[nH]c32)[nH]1 ZINC000067458099 183364539 /nfs/dbraw/zinc/36/45/39/183364539.db2.gz OLWORZWXHONTQJ-CYBMUJFWSA-N 0 3 238.294 2.126 10 0 BEAEHN CCCNCC(=O)c1ccc2c(c1)OCCCO2 ZINC000049836932 169256248 /nfs/dbraw/zinc/25/62/48/169256248.db2.gz VRSZZFDHQWTEMP-UHFFFAOYSA-N 0 3 249.310 2.030 10 0 BEAEHN c1cc(N[C@H]2CCN(C3CC3)C2)cc2c1OCC2 ZINC000061982362 183370983 /nfs/dbraw/zinc/37/09/83/183370983.db2.gz XXLJAIOPNQTTGN-ZDUSSCGKSA-N 0 3 244.338 2.270 10 0 BEAEHN c1nnc([C@@H]2CCCCCN2)n1-c1ccccc1 ZINC000075868859 183385870 /nfs/dbraw/zinc/38/58/70/183385870.db2.gz LRSQGKGJPLWJQB-ZDUSSCGKSA-N 0 3 242.326 2.472 10 0 BEAEHN CCCN[C@H](Cc1cnn(C)c1)c1ccccn1 ZINC000050542614 169289644 /nfs/dbraw/zinc/28/96/44/169289644.db2.gz ODCUPRZSSHIPGY-CQSZACIVSA-N 0 3 244.342 2.099 10 0 BEAEHN CCCNCc1cnc(-c2ccccn2)nc1 ZINC000054855835 169269316 /nfs/dbraw/zinc/26/93/16/169269316.db2.gz CISIVTFDPGHFFV-UHFFFAOYSA-N 0 3 228.299 2.038 10 0 BEAEHN CCCN[C@@H](C)c1nnc2n1CCCCC2 ZINC000035229493 169276559 /nfs/dbraw/zinc/27/65/59/169276559.db2.gz WUWQKBDQRGLKSY-JTQLQIEISA-N 0 3 222.336 2.065 10 0 BEAEHN CCCN[C@@H](c1ccc(C)o1)[C@H]1COCCO1 ZINC000055301198 169280449 /nfs/dbraw/zinc/28/04/49/169280449.db2.gz LFXRCIRQDGFWAU-OLZOCXBDSA-N 0 3 239.315 2.044 10 0 BEAEHN CCCN[C@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647808 169291599 /nfs/dbraw/zinc/29/15/99/169291599.db2.gz MGTBJKBCKFTRBV-ZDUSSCGKSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCN[C@H]1CCN(c2ccccc2CC)C1=O ZINC000049647630 169291717 /nfs/dbraw/zinc/29/17/17/169291717.db2.gz BECKOOXJKMFYCF-ZDUSSCGKSA-N 0 3 246.354 2.354 10 0 BEAEHN CCCOc1ccc([C@H](N)Cn2ccnc2)cc1 ZINC000022563726 169322149 /nfs/dbraw/zinc/32/21/49/169322149.db2.gz DZGLKLWFIMBQGG-CQSZACIVSA-N 0 3 245.326 2.372 10 0 BEAEHN CCCOc1ccc2c(c1)[C@H](N)[C@H](C)O2 ZINC000043634436 169323123 /nfs/dbraw/zinc/32/31/23/169323123.db2.gz XEPCSDIGGSISEX-QPUJVOFHSA-N 0 3 207.273 2.256 10 0 BEAEHN CCCOc1ccc2c(c1)[C@@H](NC)CO2 ZINC000035654162 169323241 /nfs/dbraw/zinc/32/32/41/169323241.db2.gz SVAXEUPJAMQWHV-NSHDSACASA-N 0 3 207.273 2.128 10 0 BEAEHN CCCOc1cccc2c1O[C@@H](C)[C@H]2N ZINC000043635045 169326865 /nfs/dbraw/zinc/32/68/65/169326865.db2.gz VLOVKLORUIHLOS-GZMMTYOYSA-N 0 3 207.273 2.256 10 0 BEAEHN CCCOc1ccccc1[C@H](O)CCN(C)C ZINC000041629396 169328132 /nfs/dbraw/zinc/32/81/32/169328132.db2.gz JJLMIKCRESNBSK-CYBMUJFWSA-N 0 3 237.343 2.461 10 0 BEAEHN CCC[C@@H](C)N(C)Cc1cc(CNCC)no1 ZINC000052480616 169365440 /nfs/dbraw/zinc/36/54/40/169365440.db2.gz VYZWYUYEQNFIKQ-LLVKDONJSA-N 0 3 239.363 2.405 10 0 BEAEHN CCC[C@@H](C(=O)N[C@@H](C)CC(C)C)N(C)C ZINC000120315471 169345019 /nfs/dbraw/zinc/34/50/19/169345019.db2.gz JJDQVGWJFLGDFT-RYUDHWBXSA-N 0 3 228.380 2.268 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049532017 169392129 /nfs/dbraw/zinc/39/21/29/169392129.db2.gz WUORBUJKJVWWMK-LLVKDONJSA-N 0 3 236.315 2.070 10 0 BEAEHN CCC[C@@H](N)c1cnc2cc(C)ccn21 ZINC000031911555 169393636 /nfs/dbraw/zinc/39/36/36/169393636.db2.gz URRWTLRBKWULMA-SNVBAGLBSA-N 0 3 203.289 2.443 10 0 BEAEHN FC(F)(F)CN1CCCN(C2CCC2)CC1 ZINC000179556674 134321845 /nfs/dbraw/zinc/32/18/45/134321845.db2.gz HZPFTOPLVDKALM-UHFFFAOYSA-N 0 3 236.281 2.109 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NC[C@@H]1CCSC1 ZINC000224427482 134347155 /nfs/dbraw/zinc/34/71/55/134347155.db2.gz UDDHEENFTIDDPP-CMPLNLGQSA-N 0 3 235.352 2.463 10 0 BEAEHN C[C@H]1CN(C[C@@H]2CCC(C)(C)O2)CCS1 ZINC000184654259 134367412 /nfs/dbraw/zinc/36/74/12/134367412.db2.gz SZBPRGUNXHMUMZ-QWRGUYRKSA-N 0 3 229.389 2.381 10 0 BEAEHN CCOc1ccccc1CN[C@@H]1CCCC[C@H]1O ZINC000051990295 383820547 /nfs/dbraw/zinc/82/05/47/383820547.db2.gz QMUSZOMMXCMXCW-ZIAGYGMSSA-N 0 3 249.354 2.478 10 0 BEAEHN CC[C@@H](N[C@@H]1CCOC1)c1c(C)noc1C ZINC000131559648 383834330 /nfs/dbraw/zinc/83/43/30/383834330.db2.gz LSMILFBMAWTRQK-GHMZBOCLSA-N 0 3 224.304 2.121 10 0 BEAEHN C[C@@H](N)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000036872272 383918033 /nfs/dbraw/zinc/91/80/33/383918033.db2.gz BZQHDPSKUBNQPA-SSDOTTSWSA-N 0 3 205.236 2.236 10 0 BEAEHN c1ccc(SCCNCc2cncnc2)cc1 ZINC000054768008 383978437 /nfs/dbraw/zinc/97/84/37/383978437.db2.gz MMYGCDMKPQQFNA-UHFFFAOYSA-N 0 3 245.351 2.359 10 0 BEAEHN N[C@H](COC(F)(F)F)c1cccc(F)c1 ZINC000068576543 383999566 /nfs/dbraw/zinc/99/95/66/383999566.db2.gz NVOWTQXNDDDMJM-MRVPVSSYSA-N 0 3 223.169 2.362 10 0 BEAEHN CN1CC=C(c2cccc3n[nH]cc32)CC1 ZINC000089196275 383941713 /nfs/dbraw/zinc/94/17/13/383941713.db2.gz AUJWWTWLBZBHSC-UHFFFAOYSA-N 0 3 213.284 2.282 10 0 BEAEHN Cc1ccc([C@H](C)NCC(=O)N(C)C)cc1C ZINC000037225329 383962960 /nfs/dbraw/zinc/96/29/60/383962960.db2.gz YFTXAUKSBUXFBM-LBPRGKRZSA-N 0 3 234.343 2.042 10 0 BEAEHN C[C@@H]1NCCO[C@H]1c1ccc(Cl)cc1 ZINC000003604765 384020772 /nfs/dbraw/zinc/02/07/72/384020772.db2.gz LKRMGIFWZXHLGL-GZMMTYOYSA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1ccc(-c2cc[nH]n2)o1 ZINC000278661155 384071915 /nfs/dbraw/zinc/07/19/15/384071915.db2.gz NHUXRFAOUUZMTI-KCJUWKMLSA-N 0 3 217.272 2.168 10 0 BEAEHN CN(C)C[C@@H]1c2cc(O)ccc2OC1(C)C ZINC000039110386 384107017 /nfs/dbraw/zinc/10/70/17/384107017.db2.gz CIGNZTOIDUDWON-LLVKDONJSA-N 0 3 221.300 2.208 10 0 BEAEHN CCCn1cc(CNCCc2ccco2)cn1 ZINC000116912302 384157084 /nfs/dbraw/zinc/15/70/84/384157084.db2.gz ZNTWNGJIFFVHLF-UHFFFAOYSA-N 0 3 233.315 2.218 10 0 BEAEHN CC1(C)SC[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000309754873 384171561 /nfs/dbraw/zinc/17/15/61/384171561.db2.gz HJFAZQBRCUFAIE-MWLCHTKSSA-N 0 3 237.372 2.271 10 0 BEAEHN COc1ccc(CNc2nccn2C)cc1 ZINC000008699737 384209556 /nfs/dbraw/zinc/20/95/56/384209556.db2.gz ZUSXWMUDJSNGAD-UHFFFAOYSA-N 0 3 217.272 2.041 10 0 BEAEHN C[C@@H]1OCC[C@H]1N[C@@H](CN(C)C)c1ccccc1 ZINC000119933008 384317557 /nfs/dbraw/zinc/31/75/57/384317557.db2.gz QNQLIGWSIBXMCF-CFVMTHIKSA-N 0 3 248.370 2.056 10 0 BEAEHN Cc1ncsc1CN1CCC[C@H]1CCCO ZINC000092785342 384321193 /nfs/dbraw/zinc/32/11/93/384321193.db2.gz XAOOURSIFJLMNX-NSHDSACASA-N 0 3 240.372 2.188 10 0 BEAEHN CCSCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000300045859 384284764 /nfs/dbraw/zinc/28/47/64/384284764.db2.gz AVRJUHZSLKBSMX-OLZOCXBDSA-N 0 3 242.432 2.298 10 0 BEAEHN C[C@@H]1Sc2c(c(F)ccc2F)[C@H]1N ZINC000043641002 384289777 /nfs/dbraw/zinc/28/97/77/384289777.db2.gz ZPWJGQHUSPVZDI-NVNXEXLPSA-N 0 3 201.241 2.459 10 0 BEAEHN CCC[C@H](C(=O)N1CCC[C@H](C)CC1)N(C)C ZINC000179700017 384336413 /nfs/dbraw/zinc/33/64/13/384336413.db2.gz GSQHHVOVLJWHCE-QWHCGFSZSA-N 0 3 240.391 2.365 10 0 BEAEHN c1nc(Nc2ccccc2)n2ccncc12 ZINC000013283496 384352110 /nfs/dbraw/zinc/35/21/10/384352110.db2.gz ZTPYWJNMHMGACM-UHFFFAOYSA-N 0 3 210.240 2.473 10 0 BEAEHN N[C@H]1CCCc2c(OCC(F)(F)F)ccnc21 ZINC000095221075 384369633 /nfs/dbraw/zinc/36/96/33/384369633.db2.gz ARVDHHVVRDCQQJ-QMMMGPOBSA-N 0 3 246.232 2.359 10 0 BEAEHN C[C@H](C1CC1)N(C[C@H](O)C(F)(F)F)C1CC1 ZINC000121049658 384395438 /nfs/dbraw/zinc/39/54/38/384395438.db2.gz UHOOZJZYNQUKNT-XCBNKYQSSA-N 0 3 237.265 2.173 10 0 BEAEHN CCN(CCc1nccs1)[C@H](C)COC ZINC000121194472 384400701 /nfs/dbraw/zinc/40/07/01/384400701.db2.gz WNXIGOVJZSEHAK-SNVBAGLBSA-N 0 3 228.361 2.042 10 0 BEAEHN COC[C@@H](N)c1cccc(Br)c1 ZINC000077358937 384405451 /nfs/dbraw/zinc/40/54/51/384405451.db2.gz OXIKOZKITYOZAS-SECBINFHSA-N 0 3 230.105 2.095 10 0 BEAEHN CCC1(CC)CN(C(=O)OC(C)(C)C)CCN1 ZINC000095642299 384385844 /nfs/dbraw/zinc/38/58/44/384385844.db2.gz KONYVZVKQLDQCF-UHFFFAOYSA-N 0 3 242.363 2.386 10 0 BEAEHN C[C@@H](N[C@@H]1CCCCC[C@H]1O)c1ccccn1 ZINC000160852907 384439986 /nfs/dbraw/zinc/43/99/86/384439986.db2.gz YJMKRUFZKGKVOS-MRVWCRGKSA-N 0 3 234.343 2.426 10 0 BEAEHN CC[C@H]1CN(C2CCC(=O)CC2)CCS1 ZINC000157264429 384462956 /nfs/dbraw/zinc/46/29/56/384462956.db2.gz CRKJVPZAJOLWJB-LBPRGKRZSA-N 0 3 227.373 2.326 10 0 BEAEHN CCc1nnc(CNC(CC)(CC)CC)n1C ZINC000175673676 384471758 /nfs/dbraw/zinc/47/17/58/384471758.db2.gz XWQGGSXEMJGMHL-UHFFFAOYSA-N 0 3 238.379 2.436 10 0 BEAEHN CC(C)CCC(=O)N1CCCN(C2CC2)CC1 ZINC000149174545 384476942 /nfs/dbraw/zinc/47/69/42/384476942.db2.gz PVFKUZQWVBTTHJ-UHFFFAOYSA-N 0 3 238.375 2.119 10 0 BEAEHN Cc1csc([C@]2(N)CCCSC2)n1 ZINC000061590693 384520564 /nfs/dbraw/zinc/52/05/64/384520564.db2.gz RFDHNWYZMZOFQE-VIFPVBQESA-N 0 3 214.359 2.133 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000052395904 384538780 /nfs/dbraw/zinc/53/87/80/384538780.db2.gz XGXCTSNPTUBJFV-ZJUUUORDSA-N 0 3 238.356 2.020 10 0 BEAEHN CCCCNCC(=O)Nc1ccc(C)cc1 ZINC000020044374 384570471 /nfs/dbraw/zinc/57/04/71/384570471.db2.gz IHMAXYHGOUYQIS-UHFFFAOYSA-N 0 3 220.316 2.323 10 0 BEAEHN CC(C)(N)c1cn(CCC(C)(C)C2CC2)nn1 ZINC000406004194 384616290 /nfs/dbraw/zinc/61/62/90/384616290.db2.gz QTAFPCRZZNTFBD-UHFFFAOYSA-N 0 3 236.363 2.298 10 0 BEAEHN O=C(CCCN1CCC[C@H]1CO)c1ccccc1 ZINC000050150230 384598431 /nfs/dbraw/zinc/59/84/31/384598431.db2.gz XNOGCRHSVFTNPU-AWEZNQCLSA-N 0 3 247.338 2.106 10 0 BEAEHN NCc1cc(-c2ccncc2)ccc1F ZINC000042351918 384638007 /nfs/dbraw/zinc/63/80/07/384638007.db2.gz ZMDGWXCMGJDMNW-UHFFFAOYSA-N 0 3 202.232 2.346 10 0 BEAEHN Cc1ccc([C@H](C)NCc2[nH]ncc2C)o1 ZINC000309833343 384653629 /nfs/dbraw/zinc/65/36/29/384653629.db2.gz ZFHLTJZGIKAUCI-JTQLQIEISA-N 0 3 219.288 2.470 10 0 BEAEHN N[C@@H](Cc1ncc[nH]1)c1ccc(Cl)s1 ZINC000051171437 384659061 /nfs/dbraw/zinc/65/90/61/384659061.db2.gz FVCSIQJROJBHTB-LURJTMIESA-N 0 3 227.720 2.367 10 0 BEAEHN CN[C@H]1c2cccc(Br)c2O[C@@H]1C ZINC000043634687 384719884 /nfs/dbraw/zinc/71/98/84/384719884.db2.gz TVLOVFRBPVEHKO-HZGVNTEJSA-N 0 3 242.116 2.491 10 0 BEAEHN C[C@@H]1Oc2c(cc(F)cc2Br)[C@@H]1N ZINC000043635016 384719932 /nfs/dbraw/zinc/71/99/32/384719932.db2.gz DSSJDNLFGWUGSY-RNHFCUEFSA-N 0 3 246.079 2.369 10 0 BEAEHN CN[C@@H]1c2cc(OC)ccc2S[C@@H]1C ZINC000043635776 384729421 /nfs/dbraw/zinc/72/94/21/384729421.db2.gz ZSUSJAPGVVAWIF-HQJQHLMTSA-N 0 3 209.314 2.450 10 0 BEAEHN CN(C)C[C@@H](NC(=O)C1CCC1)c1ccccc1 ZINC000052554715 384734812 /nfs/dbraw/zinc/73/48/12/384734812.db2.gz IQSOQDUSBRYMFD-CQSZACIVSA-N 0 3 246.354 2.206 10 0 BEAEHN CCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052554668 384736386 /nfs/dbraw/zinc/73/63/86/384736386.db2.gz MZWCNYRIRPJMNG-CYBMUJFWSA-N 0 3 234.343 2.206 10 0 BEAEHN NC[C@@H](N)c1c(F)ccc(Cl)c1Cl ZINC000044473147 384742905 /nfs/dbraw/zinc/74/29/05/384742905.db2.gz NHBCUAICKNFGEP-ZCFIWIBFSA-N 0 3 223.078 2.091 10 0 BEAEHN Cc1ccc(F)cc1CN[C@H]1CCO[C@@H]1C ZINC000163253933 384779400 /nfs/dbraw/zinc/77/94/00/384779400.db2.gz BCVLCIBXPCTKEW-MFKMUULPSA-N 0 3 223.291 2.401 10 0 BEAEHN C[C@@H](CO)CN[C@@H](C)c1cc(F)ccc1F ZINC000083215460 384752434 /nfs/dbraw/zinc/75/24/34/384752434.db2.gz DDAKQAVSPSANPX-BDAKNGLRSA-N 0 3 229.270 2.244 10 0 BEAEHN CC[C@@H](NC(=O)[C@H](N)C(C)C)c1ccccc1 ZINC000051628403 384822271 /nfs/dbraw/zinc/82/22/71/384822271.db2.gz SJKGDKJVMHLPIT-CHWSQXEVSA-N 0 3 234.343 2.237 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000048775798 384791439 /nfs/dbraw/zinc/79/14/39/384791439.db2.gz VXAVNEFEYCPCHT-MRVPVSSYSA-N 0 3 226.707 2.195 10 0 BEAEHN COc1c(CN[C@@H]2CCC[C@H]2C)c(C)nn1C ZINC000105504772 384792328 /nfs/dbraw/zinc/79/23/28/384792328.db2.gz LFFKWVCXJQHCRI-BXKDBHETSA-N 0 3 237.347 2.015 10 0 BEAEHN COc1c(CN[C@H]2CCC[C@H]2C)c(C)nn1C ZINC000105504776 384793029 /nfs/dbraw/zinc/79/30/29/384793029.db2.gz LFFKWVCXJQHCRI-SKDRFNHKSA-N 0 3 237.347 2.015 10 0 BEAEHN CCOCc1nc(C)c([C@H](C)N)s1 ZINC000084064983 384836684 /nfs/dbraw/zinc/83/66/84/384836684.db2.gz UKPDHAAAHCVMAB-LURJTMIESA-N 0 3 200.307 2.008 10 0 BEAEHN CN(CC[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000053933156 384812548 /nfs/dbraw/zinc/81/25/48/384812548.db2.gz ZXZPKCQGBVABQJ-GJZGRUSLSA-N 0 3 249.354 2.221 10 0 BEAEHN CCSCC[C@H](C)NCc1cncnc1 ZINC000127488767 384864754 /nfs/dbraw/zinc/86/47/54/384864754.db2.gz SODUTZUNWWKYGL-JTQLQIEISA-N 0 3 225.361 2.098 10 0 BEAEHN Cc1cccc([C@H]2CN(C3CC3)CCN2)c1 ZINC000056894850 384922312 /nfs/dbraw/zinc/92/23/12/384922312.db2.gz AGUNTZZCAUCUHG-CQSZACIVSA-N 0 3 216.328 2.104 10 0 BEAEHN Cc1ccc(CN[C@H](C)[C@H]2CCCO2)nc1 ZINC000087782229 384990302 /nfs/dbraw/zinc/99/03/02/384990302.db2.gz CBXPNKHTSAGPLS-DGCLKSJQSA-N 0 3 220.316 2.047 10 0 BEAEHN Cc1cc(CN[C@@H]2CCCC[C@H]2CO)sn1 ZINC000404435049 384994953 /nfs/dbraw/zinc/99/49/53/384994953.db2.gz QPVQIPDASLPAIL-CMPLNLGQSA-N 0 3 240.372 2.092 10 0 BEAEHN COC(=O)[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000107822302 385003190 /nfs/dbraw/zinc/00/31/90/385003190.db2.gz DUIASICJBXFLOO-GPAKFWEMSA-N 0 3 245.322 2.195 10 0 BEAEHN Cc1c(CNCCc2ccsc2)cnn1C ZINC000086552013 385027231 /nfs/dbraw/zinc/02/72/31/385027231.db2.gz ZRTZUAVGJRECAB-UHFFFAOYSA-N 0 3 235.356 2.122 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1ccnn1CC ZINC000119429755 385095408 /nfs/dbraw/zinc/09/54/08/385095408.db2.gz XWTMJWYAHOBHMO-CMPLNLGQSA-N 0 3 207.321 2.181 10 0 BEAEHN CN(Cc1ccc2c(c1)CCO2)C[C@@H]1CCCO1 ZINC000109836423 385194573 /nfs/dbraw/zinc/19/45/73/385194573.db2.gz CTECYAVGPKOXQG-AWEZNQCLSA-N 0 3 247.338 2.232 10 0 BEAEHN CSc1ccc(CNC2(CO)CC2)cc1 ZINC000120334651 385313541 /nfs/dbraw/zinc/31/35/41/385313541.db2.gz YWFABWGEQBZWEQ-UHFFFAOYSA-N 0 3 223.341 2.023 10 0 BEAEHN Cc1cnc(CN[C@@H]2CCCC[C@H]2CO)s1 ZINC000274901420 385266075 /nfs/dbraw/zinc/26/60/75/385266075.db2.gz ICUPIVOHBGHWLC-WDEREUQCSA-N 0 3 240.372 2.092 10 0 BEAEHN C=Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000409424483 385332282 /nfs/dbraw/zinc/33/22/82/385332282.db2.gz VQSVOWSHFBWZTF-UHFFFAOYSA-N 0 3 217.312 2.286 10 0 BEAEHN CC(C)(C)C(=O)Nc1ccc(OC2CNC2)cc1 ZINC000409425799 385333633 /nfs/dbraw/zinc/33/36/33/385333633.db2.gz NBMCEPHJGVLXPU-UHFFFAOYSA-N 0 3 248.326 2.022 10 0 BEAEHN CCC[C@@H](N)C(=O)NCCCC(C)(C)C ZINC000161592790 385375762 /nfs/dbraw/zinc/37/57/62/385375762.db2.gz MJQGFMYPIJEDPP-SNVBAGLBSA-N 0 3 214.353 2.056 10 0 BEAEHN C[C@@H]1C[C@H](NCC[C@@H]2CCCO2)c2nccn21 ZINC000379066999 385525075 /nfs/dbraw/zinc/52/50/75/385525075.db2.gz WTJAWCNWBBGQJP-WOPDTQHZSA-N 0 3 235.331 2.048 10 0 BEAEHN NCc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000062820802 385635833 /nfs/dbraw/zinc/63/58/33/385635833.db2.gz AEXQSTHAHJPJEX-UHFFFAOYSA-N 0 3 207.664 2.189 10 0 BEAEHN CN(C)CCOc1nc2ccccc2s1 ZINC000211657424 385688444 /nfs/dbraw/zinc/68/84/44/385688444.db2.gz DJCKZOJTOFOFLT-UHFFFAOYSA-N 0 3 222.313 2.237 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000052395688 385731436 /nfs/dbraw/zinc/73/14/36/385731436.db2.gz BALNFLLNRJMQGH-IUCAKERBSA-N 0 3 240.734 2.125 10 0 BEAEHN CCN1CCOCC[C@@H]1c1cccc(N)c1 ZINC000616598283 385857153 /nfs/dbraw/zinc/85/71/53/385857153.db2.gz JQTWHBGRJPAGKT-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284215356 385858137 /nfs/dbraw/zinc/85/81/37/385858137.db2.gz CLOVHIIRWIGOPW-MWLCHTKSSA-N 0 3 219.332 2.272 10 0 BEAEHN Cc1ccc2nc(CN[C@@H]3C[C@H]3C)cn2c1 ZINC000283826616 385794359 /nfs/dbraw/zinc/79/43/59/385794359.db2.gz GHXUBKUGLPAEKE-ZYHUDNBSSA-N 0 3 215.300 2.141 10 0 BEAEHN COC[C@H](CN[C@H](C)c1cc(C)oc1C)OC ZINC000219297715 385928758 /nfs/dbraw/zinc/92/87/58/385928758.db2.gz VCMHNHSAABGLOY-PWSUYJOCSA-N 0 3 241.331 2.208 10 0 BEAEHN CC[C@H](NCc1cc(C)n(C)n1)C(C)C ZINC000414312166 386116345 /nfs/dbraw/zinc/11/63/45/386116345.db2.gz WGJCAJMRWKAPLB-LBPRGKRZSA-N 0 3 209.337 2.253 10 0 BEAEHN C[C@H]1SCCC[C@]1(N)c1cscn1 ZINC000575566334 386083345 /nfs/dbraw/zinc/08/33/45/386083345.db2.gz ULXJXOJWLOJOLA-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1cnn(CCNCc2ccc(C)c(F)c2)c1 ZINC000225192505 386175376 /nfs/dbraw/zinc/17/53/76/386175376.db2.gz XMQHVLPQWMZOME-UHFFFAOYSA-N 0 3 247.317 2.429 10 0 BEAEHN C[C@H](N[C@H]1COc2ccccc21)[C@@H]1CCOC1 ZINC000224168552 386128688 /nfs/dbraw/zinc/12/86/88/386128688.db2.gz DVELRUXAPYETNV-LOWVWBTDSA-N 0 3 233.311 2.135 10 0 BEAEHN Clc1nc(NCCN2CCCC2)cs1 ZINC000307349769 386130366 /nfs/dbraw/zinc/13/03/66/386130366.db2.gz AEYMKEGNDXHORM-UHFFFAOYSA-N 0 3 231.752 2.304 10 0 BEAEHN COC[C@@H](C)NCc1cnc(CC(C)C)s1 ZINC000125051731 386218250 /nfs/dbraw/zinc/21/82/50/386218250.db2.gz KBMORWBGIPHOTL-SNVBAGLBSA-N 0 3 242.388 2.466 10 0 BEAEHN COC[C@@H](NC[C@@H]1CCCN1C)c1ccccc1 ZINC000226013701 386233383 /nfs/dbraw/zinc/23/33/83/386233383.db2.gz DNXIQCUZHLJYOZ-LSDHHAIUSA-N 0 3 248.370 2.058 10 0 BEAEHN CC(C)C[C@H](N)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366346261 386375169 /nfs/dbraw/zinc/37/51/69/386375169.db2.gz KSEJRHUFJRVJEY-RWMBFGLXSA-N 0 3 238.375 2.151 10 0 BEAEHN Cc1cccc(OCCN2C[C@H](O)CC[C@@H]2C)c1 ZINC000399196943 386448122 /nfs/dbraw/zinc/44/81/22/386448122.db2.gz DMTOXKDQZVKHEI-UONOGXRCSA-N 0 3 249.354 2.219 10 0 BEAEHN COc1c(CN)ccc(Cl)c1Cl ZINC000299889939 386498370 /nfs/dbraw/zinc/49/83/70/386498370.db2.gz RGMLZJZDYUERQN-UHFFFAOYSA-N 0 3 206.072 2.461 10 0 BEAEHN Cc1ccc(F)cc1CN1C[C@@H](O)CC[C@@H]1C ZINC000399212068 386457401 /nfs/dbraw/zinc/45/74/01/386457401.db2.gz RSYRNZDGCIWHHP-FZMZJTMJSA-N 0 3 237.318 2.479 10 0 BEAEHN C[C@H]1Oc2c(cc(Cl)cc2F)[C@H]1N ZINC000307414805 386644112 /nfs/dbraw/zinc/64/41/12/386644112.db2.gz JZSVQOBLPJCAGD-VHWMUFPASA-N 0 3 201.628 2.260 10 0 BEAEHN C[C@H](N)c1csc(N(C)C(C)(C)C)n1 ZINC000306681256 386664800 /nfs/dbraw/zinc/66/48/00/386664800.db2.gz NMTFTOSOCLJGMK-ZETCQYMHSA-N 0 3 213.350 2.398 10 0 BEAEHN CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000122118554 386737093 /nfs/dbraw/zinc/73/70/93/386737093.db2.gz XXHPHVYFYKGZCC-SRVKXCTJSA-N 0 3 226.364 2.055 10 0 BEAEHN CCC[C@H](C(=O)NCC(C)(C)CC)N(C)C ZINC000192226945 386747278 /nfs/dbraw/zinc/74/72/78/386747278.db2.gz WWNVMSMKMDGHAA-LLVKDONJSA-N 0 3 228.380 2.269 10 0 BEAEHN Cc1cnc([C@@H](C)N[C@H](C)C(C)C)cn1 ZINC000336760986 386748864 /nfs/dbraw/zinc/74/88/64/386748864.db2.gz MRRLPVUPSCWTJJ-GHMZBOCLSA-N 0 3 207.321 2.480 10 0 BEAEHN CC(C)(C)OC(=O)N[C@H]1CNCc2ccccc21 ZINC000228776040 386768459 /nfs/dbraw/zinc/76/84/59/386768459.db2.gz MQHAYLHGSZWLNR-LBPRGKRZSA-N 0 3 248.326 2.356 10 0 BEAEHN NC[C@H](N)c1cccc(C(F)(F)F)c1Cl ZINC000044470329 386779987 /nfs/dbraw/zinc/77/99/87/386779987.db2.gz TUUQXTXIOQPCPT-ZETCQYMHSA-N 0 3 238.640 2.317 10 0 BEAEHN N[C@@H](c1cncs1)C1CCSCC1 ZINC000575453454 386811106 /nfs/dbraw/zinc/81/11/06/386811106.db2.gz GMKDEDMPVFHHAF-SECBINFHSA-N 0 3 214.359 2.286 10 0 BEAEHN C[C@@H]1SCCC[C@@]1(N)c1ccns1 ZINC000575453040 386815903 /nfs/dbraw/zinc/81/59/03/386815903.db2.gz DLSIZOFJAMYNHF-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN CCc1cc(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)ccn1 ZINC000398736326 386976198 /nfs/dbraw/zinc/97/61/98/386976198.db2.gz DRNQAZQESARSDV-YWPYICTPSA-N 0 3 246.354 2.241 10 0 BEAEHN OC[C@H]1Cc2occc2[C@H](C2CCCCC2)N1 ZINC000575407940 387008979 /nfs/dbraw/zinc/00/89/79/387008979.db2.gz VVWZIFXAGMUNLB-RISCZKNCSA-N 0 3 235.327 2.408 10 0 BEAEHN CC1(C)CNC[C@H](c2ccc(F)cc2)O1 ZINC000011803114 386994079 /nfs/dbraw/zinc/99/40/79/386994079.db2.gz AONBUGKSZPVRIM-LLVKDONJSA-N 0 3 209.264 2.265 10 0 BEAEHN OC[C@@H]1Cc2occc2CN1CC1CCCC1 ZINC000575407932 387009281 /nfs/dbraw/zinc/00/92/81/387009281.db2.gz VARGZLYCYVCAPD-ZDUSSCGKSA-N 0 3 235.327 2.189 10 0 BEAEHN Cc1ncc([C@@H](N)[C@@H]2CCCS2)s1 ZINC000575456207 387026971 /nfs/dbraw/zinc/02/69/71/387026971.db2.gz GCYKARIWIUZKIW-CBAPKCEASA-N 0 3 214.359 2.347 10 0 BEAEHN COc1cc(F)ccc1[C@H](N)CC(F)F ZINC000575437101 387105085 /nfs/dbraw/zinc/10/50/85/387105085.db2.gz NRYNNTCJXYRUEX-MRVPVSSYSA-N 0 3 219.206 2.489 10 0 BEAEHN COc1cccc(F)c1[C@@H](N)CC(F)F ZINC000575437907 387111841 /nfs/dbraw/zinc/11/18/41/387111841.db2.gz XZYBQDXIOLMLOR-ZETCQYMHSA-N 0 3 219.206 2.489 10 0 BEAEHN C(CN1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000335026026 387117891 /nfs/dbraw/zinc/11/78/91/387117891.db2.gz ROWMZQGDORMZHJ-QWHCGFSZSA-N 0 3 209.333 2.430 10 0 BEAEHN C(CN1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000335026024 387118050 /nfs/dbraw/zinc/11/80/50/387118050.db2.gz ROWMZQGDORMZHJ-OLZOCXBDSA-N 0 3 209.333 2.430 10 0 BEAEHN COc1cccc([C@H](N)CCF)c1OC ZINC000575438932 387122284 /nfs/dbraw/zinc/12/22/84/387122284.db2.gz ONKPMBAHIOGEOX-SECBINFHSA-N 0 3 213.252 2.063 10 0 BEAEHN COc1cc(F)c([C@H](N)CCF)c(F)c1 ZINC000575439678 387125618 /nfs/dbraw/zinc/12/56/18/387125618.db2.gz UHJFXLQFLURGEK-SECBINFHSA-N 0 3 219.206 2.333 10 0 BEAEHN CC(C)[C@H](C)c1nc2n(c1CN)CCCC2 ZINC000536956032 387169501 /nfs/dbraw/zinc/16/95/01/387169501.db2.gz WVUNNJAMWFTDCM-JTQLQIEISA-N 0 3 221.348 2.438 10 0 BEAEHN CC[C@@H](NCCn1cncn1)c1cccc(C)c1 ZINC000286263141 387320779 /nfs/dbraw/zinc/32/07/79/387320779.db2.gz UZTKAQSNJIKUJU-CQSZACIVSA-N 0 3 244.342 2.327 10 0 BEAEHN CC[C@H](NCCn1cncn1)c1cccc(C)c1 ZINC000286263139 387321002 /nfs/dbraw/zinc/32/10/02/387321002.db2.gz UZTKAQSNJIKUJU-AWEZNQCLSA-N 0 3 244.342 2.327 10 0 BEAEHN CC[C@]1(C)CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000121393204 387344313 /nfs/dbraw/zinc/34/43/13/387344313.db2.gz UJTZNISAXKJAJB-VHSXEESVSA-N 0 3 239.281 2.422 10 0 BEAEHN N[C@H](C(=O)Nc1ccsc1Cl)C1CC1 ZINC000306577435 387438101 /nfs/dbraw/zinc/43/81/01/387438101.db2.gz LINJYSWHNVKSEX-ZETCQYMHSA-N 0 3 230.720 2.077 10 0 BEAEHN CN(C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000042246080 387508933 /nfs/dbraw/zinc/50/89/33/387508933.db2.gz LXZIUNWZCWFKGX-CQSZACIVSA-N 0 3 215.296 2.435 10 0 BEAEHN CC(C)CCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000122862283 387608897 /nfs/dbraw/zinc/60/88/97/387608897.db2.gz RSOOPLJDFOUJNC-OLZOCXBDSA-N 0 3 240.391 2.364 10 0 BEAEHN CC[C@H](C(=O)NC1CCC(CC)CC1)N(C)C ZINC000124324970 387612806 /nfs/dbraw/zinc/61/28/06/387612806.db2.gz DDDDYKIWSFQZPG-WXRRBKDZSA-N 0 3 240.391 2.412 10 0 BEAEHN Cc1ccc([C@H]2CCCCN2CCCO)o1 ZINC000124688615 387629612 /nfs/dbraw/zinc/62/96/12/387629612.db2.gz NUICBUQDQGFSCR-GFCCVEGCSA-N 0 3 223.316 2.497 10 0 BEAEHN CCCn1cc(CNCCc2cccnc2)cn1 ZINC000116913242 387549937 /nfs/dbraw/zinc/54/99/37/387549937.db2.gz DLZPDRRIKBTXPP-UHFFFAOYSA-N 0 3 244.342 2.020 10 0 BEAEHN C[C@H]1CN[C@@]2(CC[C@@H](C)SC2)S1 ZINC000575533704 387555407 /nfs/dbraw/zinc/55/54/07/387555407.db2.gz DYYLPPORJHSOEM-VGMNWLOBSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@@H]1CS[C@]2(CC[C@H](C)SC2)N1 ZINC000575534367 387556246 /nfs/dbraw/zinc/55/62/46/387556246.db2.gz IWYMWHQZTYUXMF-VGMNWLOBSA-N 0 3 203.376 2.323 10 0 BEAEHN NC1(c2cccc(Br)c2)CSC1 ZINC000575553832 387657977 /nfs/dbraw/zinc/65/79/77/387657977.db2.gz KAOVVYSLBHUXIO-UHFFFAOYSA-N 0 3 244.157 2.350 10 0 BEAEHN Cc1nc([C@@]2(N)CS[C@@H](C)C2)cs1 ZINC000575572900 387752085 /nfs/dbraw/zinc/75/20/85/387752085.db2.gz RWVLVOUBVLXVBZ-RCOVLWMOSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@@H]1CC[C@](N)(c2cnsc2)CS1 ZINC000575573312 387754211 /nfs/dbraw/zinc/75/42/11/387754211.db2.gz XARUJMYOTWVSOO-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN CC[C@@H](C)CNCc1cc(C(=O)OC)co1 ZINC000128693393 387754716 /nfs/dbraw/zinc/75/47/16/387754716.db2.gz QDPJQBCTKXKTAI-SECBINFHSA-N 0 3 225.288 2.202 10 0 BEAEHN C[C@H]1C[C@@](N)(c2sccc2Cl)CO1 ZINC000575564210 387705932 /nfs/dbraw/zinc/70/59/32/387705932.db2.gz DGPGGJGOOLXYQX-RCOVLWMOSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@H]1CC[C@@](N)(c2ccsn2)CS1 ZINC000575573657 387756682 /nfs/dbraw/zinc/75/66/82/387756682.db2.gz ZAKFPCHRQFPLBQ-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1COC[C@]1(N)c1sccc1Cl ZINC000575568954 387730558 /nfs/dbraw/zinc/73/05/58/387730558.db2.gz GHTYMLSQILNRES-HZGVNTEJSA-N 0 3 217.721 2.222 10 0 BEAEHN C[C@H](CF)Nc1cc(N)ncc1Br ZINC000575568710 387731187 /nfs/dbraw/zinc/73/11/87/387731187.db2.gz AMACDHXDOOKYIH-RXMQYKEDSA-N 0 3 248.099 2.027 10 0 BEAEHN NCc1csc(-c2ccccc2F)n1 ZINC000040999551 387774034 /nfs/dbraw/zinc/77/40/34/387774034.db2.gz YVCAROIRVMMNRR-UHFFFAOYSA-N 0 3 208.261 2.408 10 0 BEAEHN CCC[C@H](N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050393651 387794559 /nfs/dbraw/zinc/79/45/59/387794559.db2.gz HCBGBHQUUWGMEK-UONOGXRCSA-N 0 3 246.354 2.396 10 0 BEAEHN C[C@@H]1CC[C@@](N)(c2ccsn2)CS1 ZINC000575573656 387757071 /nfs/dbraw/zinc/75/70/71/387757071.db2.gz ZAKFPCHRQFPLBQ-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN CC(C)[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000157174901 387761686 /nfs/dbraw/zinc/76/16/86/387761686.db2.gz HKDIUPNYXXPMPQ-LBPRGKRZSA-N 0 3 243.395 2.013 10 0 BEAEHN CCc1nnc(CN[C@H]2CC3CCC2CC3)n1C ZINC000433001504 387847770 /nfs/dbraw/zinc/84/77/70/387847770.db2.gz IJUCFJRYQRWTOB-MCIGGMRASA-N 0 3 248.374 2.046 10 0 BEAEHN Cc1cc(C)c([C@H](CO)NC2CC2)cc1C ZINC000071521937 177874765 /nfs/dbraw/zinc/87/47/65/177874765.db2.gz CCWMARPLIWKSQQ-AWEZNQCLSA-N 0 3 219.328 2.397 10 0 BEAEHN CCCCCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000195328318 387920426 /nfs/dbraw/zinc/92/04/26/387920426.db2.gz URLFXHAOXNCPAG-ZDUSSCGKSA-N 0 3 238.375 2.263 10 0 BEAEHN Cc1cccc(CN2CCC[C@H]2CCCO)n1 ZINC000080961119 388004065 /nfs/dbraw/zinc/00/40/65/388004065.db2.gz PNHMCLINPPMJOT-AWEZNQCLSA-N 0 3 234.343 2.127 10 0 BEAEHN CN[C@@]1(c2nc(C)c(C)s2)CCSC1 ZINC000041060586 388018103 /nfs/dbraw/zinc/01/81/03/388018103.db2.gz WBYQFZLRAPYZIO-JTQLQIEISA-N 0 3 228.386 2.312 10 0 BEAEHN Cc1cc(CN2C[C@@H]3CCCCN3C[C@@H]2C)on1 ZINC000083704376 388059159 /nfs/dbraw/zinc/05/91/59/388059159.db2.gz ZUDUXFXBBWLIJM-STQMWFEESA-N 0 3 249.358 2.042 10 0 BEAEHN C[C@@H](NCc1ccncc1Cl)[C@@H]1CCCO1 ZINC000084084767 388069755 /nfs/dbraw/zinc/06/97/55/388069755.db2.gz FSXCKJDYDANUGC-SKDRFNHKSA-N 0 3 240.734 2.392 10 0 BEAEHN CC[C@H](NCc1nccn1C)C(C)(C)C ZINC000163912238 388099159 /nfs/dbraw/zinc/09/91/59/388099159.db2.gz WQTHHNIKDOXAJA-JTQLQIEISA-N 0 3 209.337 2.334 10 0 BEAEHN FC(F)(F)c1ccc(C[C@H]2COCCN2)cc1 ZINC000071559592 388099429 /nfs/dbraw/zinc/09/94/29/388099429.db2.gz KTZJLUZNWTZOQG-NSHDSACASA-N 0 3 245.244 2.236 10 0 BEAEHN CCOc1ccccc1[C@@H](C)NC[C@@H](C)CO ZINC000086616790 388104863 /nfs/dbraw/zinc/10/48/63/388104863.db2.gz NLMNYDRKJZCPKP-VXGBXAGGSA-N 0 3 237.343 2.364 10 0 BEAEHN NCc1cnc(-c2ccc(Cl)s2)nc1 ZINC000306667560 388112530 /nfs/dbraw/zinc/11/25/30/388112530.db2.gz DVUWNSNSRZEDMB-UHFFFAOYSA-N 0 3 225.704 2.317 10 0 BEAEHN CC(C)Cn1ncnc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089106 388139760 /nfs/dbraw/zinc/13/97/60/388139760.db2.gz HRQPANSOZFONAU-YNEHKIRRSA-N 0 3 248.374 2.212 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnn(CC)c1 ZINC000165054216 388250141 /nfs/dbraw/zinc/25/01/41/388250141.db2.gz OIBXBRPUYHJSRK-NEPJUHHUSA-N 0 3 207.321 2.181 10 0 BEAEHN CN(C)CCNc1ccc(Cl)cc1F ZINC000042221182 388274720 /nfs/dbraw/zinc/27/47/20/388274720.db2.gz VKCKZFZSSXXROE-UHFFFAOYSA-N 0 3 216.687 2.453 10 0 BEAEHN C[C@@H]1[C@@H](O)CCCN1Cc1ccccc1F ZINC000294685713 388403600 /nfs/dbraw/zinc/40/36/00/388403600.db2.gz AEYKCGNAIQHORE-MFKMUULPSA-N 0 3 223.291 2.171 10 0 BEAEHN Cc1nnc(CN[C@@H]2CCC[C@H]2CCF)s1 ZINC000393788691 388442223 /nfs/dbraw/zinc/44/22/23/388442223.db2.gz BXYPOXVDJLZOSA-VHSXEESVSA-N 0 3 243.351 2.464 10 0 BEAEHN Cc1cc(CN2CCC[C@@H](O)[C@@H]2C)cs1 ZINC000295095641 388408975 /nfs/dbraw/zinc/40/89/75/388408975.db2.gz UHLXWADDQLSXSZ-CMPLNLGQSA-N 0 3 225.357 2.402 10 0 BEAEHN CCOCCn1c2ccccc2nc1[C@H](C)N ZINC000040163834 388413018 /nfs/dbraw/zinc/41/30/18/388413018.db2.gz QOHMKQMCRRAWEX-JTQLQIEISA-N 0 3 233.315 2.093 10 0 BEAEHN COc1ncccc1CN[C@H](C)[C@H]1C[C@@H]1C ZINC000322334497 388432606 /nfs/dbraw/zinc/43/26/06/388432606.db2.gz PPHOGBXIRGDWAV-UMNHJUIQSA-N 0 3 220.316 2.224 10 0 BEAEHN CC[C@H](N[C@@H](C)c1nncn1C)[C@@H]1CC1(C)C ZINC000397653100 388487635 /nfs/dbraw/zinc/48/76/35/388487635.db2.gz BBBYWYLLJUXIAM-DCAQKATOSA-N 0 3 236.363 2.290 10 0 BEAEHN CC[C@H](NCc1nncn1CC)[C@H]1CC1(C)C ZINC000397654867 388488101 /nfs/dbraw/zinc/48/81/01/388488101.db2.gz BLRNNAPBAIBRLJ-MNOVXSKESA-N 0 3 236.363 2.212 10 0 BEAEHN COc1cc(F)cc(CN[C@@H]2C[C@@H]2C)c1 ZINC000312285692 388511576 /nfs/dbraw/zinc/51/15/76/388511576.db2.gz QMIQSEBLLPILPN-QPUJVOFHSA-N 0 3 209.264 2.332 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccnn1C ZINC000219286341 388590209 /nfs/dbraw/zinc/59/02/09/388590209.db2.gz SNXPXHDBJZAWSI-AXFHLTTASA-N 0 3 207.321 2.259 10 0 BEAEHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccc(F)cn1 ZINC000220755939 388607149 /nfs/dbraw/zinc/60/71/49/388607149.db2.gz FXGJJSAMNALPFM-KBVBSXBZSA-N 0 3 224.279 2.049 10 0 BEAEHN CCN1CCC[C@@H](N[C@H](C)c2ccoc2)C1 ZINC000245849953 388608074 /nfs/dbraw/zinc/60/80/74/388608074.db2.gz BDRFIKHOALFYLS-DGCLKSJQSA-N 0 3 222.332 2.415 10 0 BEAEHN CN(C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000082283342 388612525 /nfs/dbraw/zinc/61/25/25/388612525.db2.gz QYMFKGKRCPQGHS-CYBMUJFWSA-N 0 3 238.375 2.119 10 0 BEAEHN Clc1ccsc1CNC[C@@H]1[C@H]2COC[C@H]21 ZINC000367577552 388565579 /nfs/dbraw/zinc/56/55/79/388565579.db2.gz TYNLMBLMZDMQCI-PSVAKVPMSA-N 0 3 243.759 2.384 10 0 BEAEHN CCc1nnc(CN[C@H]2CCCC2(C)C)n1C ZINC000191855320 388671628 /nfs/dbraw/zinc/67/16/28/388671628.db2.gz LNCIJWZCGHTNPH-JTQLQIEISA-N 0 3 236.363 2.046 10 0 BEAEHN Cn1cc([C@@H]2CCCN2CC[C@@H]2CCCO2)cn1 ZINC000189101646 388621875 /nfs/dbraw/zinc/62/18/75/388621875.db2.gz XCLIQTMICPCNFV-KBPBESRZSA-N 0 3 249.358 2.126 10 0 BEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000247003618 388656344 /nfs/dbraw/zinc/65/63/44/388656344.db2.gz OCKMMPPGAJHPPL-WDEREUQCSA-N 0 3 242.363 2.240 10 0 BEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC000247376741 388663352 /nfs/dbraw/zinc/66/33/52/388663352.db2.gz PMZWIOJEMAHAQO-WCQYABFASA-N 0 3 238.375 2.022 10 0 BEAEHN Cn1cc([C@H]2CCCN2CC[C@H]2CCCO2)cn1 ZINC000249500598 388723784 /nfs/dbraw/zinc/72/37/84/388723784.db2.gz XCLIQTMICPCNFV-ZIAGYGMSSA-N 0 3 249.358 2.126 10 0 BEAEHN CCN1CCC[C@H](N[C@H](C)c2cncs2)C1 ZINC000252714542 388774602 /nfs/dbraw/zinc/77/46/02/388774602.db2.gz SFJDCKIOEJWCOY-MNOVXSKESA-N 0 3 239.388 2.278 10 0 BEAEHN N[C@H](c1cncs1)[C@@H]1CCCCS1 ZINC000575463412 388829719 /nfs/dbraw/zinc/82/97/19/388829719.db2.gz ZYQAZJQTIVOYHB-CBAPKCEASA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@@H]1C[C@@]2(CC(=O)CO2)CN1Cc1ccccc1 ZINC000575500835 388990294 /nfs/dbraw/zinc/99/02/94/388990294.db2.gz XQLUEJIOSCQJQY-IUODEOHRSA-N 0 3 245.322 2.009 10 0 BEAEHN CC1(C)CN(c2c(F)cccc2F)CCN1 ZINC000041247054 132349731 /nfs/dbraw/zinc/34/97/31/132349731.db2.gz YUWQVVOJJKOYND-UHFFFAOYSA-N 0 3 226.270 2.153 10 0 BEAEHN C[C@@H]1CCCN(c2ccnc(CN)c2)[C@@H]1C ZINC000051396020 132360137 /nfs/dbraw/zinc/36/01/37/132360137.db2.gz FROVZDXINZKCEI-GHMZBOCLSA-N 0 3 219.332 2.165 10 0 BEAEHN CC[C@@H](C)[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000011959697 132321007 /nfs/dbraw/zinc/32/10/07/132321007.db2.gz AYBPAYUGFJBCBG-RISCZKNCSA-N 0 3 246.354 2.339 10 0 BEAEHN CC(C)CCN1CCN(c2ccccc2N)CC1 ZINC000020265485 132330942 /nfs/dbraw/zinc/33/09/42/132330942.db2.gz IIASPYBLKDQNTJ-UHFFFAOYSA-N 0 3 247.386 2.437 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(c2ncccc2CN)C1 ZINC000022169121 132332329 /nfs/dbraw/zinc/33/23/29/132332329.db2.gz JTSAUHPRADRHPT-PHIMTYICSA-N 0 3 219.332 2.023 10 0 BEAEHN c1cc2cc(N3CCNCC3)ccc2s1 ZINC000034597581 132336839 /nfs/dbraw/zinc/33/68/39/132336839.db2.gz YGAGYXZPHGMRHX-UHFFFAOYSA-N 0 3 218.325 2.311 10 0 BEAEHN C[C@H]1COCCN1c1cccc(Cl)c1CN ZINC000035777878 132339377 /nfs/dbraw/zinc/33/93/77/132339377.db2.gz RGYNLDDLWQUSRB-VIFPVBQESA-N 0 3 240.734 2.024 10 0 BEAEHN CN1c2ccccc2[C@@H](N[C@@H]2CC2(C)C)CC1=O ZINC000045117718 132354614 /nfs/dbraw/zinc/35/46/14/132354614.db2.gz KYXXRDJWYPIYAZ-WCQYABFASA-N 0 3 244.338 2.482 10 0 BEAEHN CC[C@@H]1CCCCN1c1ccnc(CN)c1 ZINC000051396656 132360011 /nfs/dbraw/zinc/36/00/11/132360011.db2.gz DASWLLWOWBXEKR-GFCCVEGCSA-N 0 3 219.332 2.309 10 0 BEAEHN CC[C@H]1CCCCN1c1cccc(CN)n1 ZINC000051396651 132360088 /nfs/dbraw/zinc/36/00/88/132360088.db2.gz MYPVRTSLACUODJ-LBPRGKRZSA-N 0 3 219.332 2.309 10 0 BEAEHN C[C@@H]1C[C@@H](C)CCN1c1ncccc1CN ZINC000051728440 132361493 /nfs/dbraw/zinc/36/14/93/132361493.db2.gz UJIBLZBIIKNHNH-WDEREUQCSA-N 0 3 219.332 2.165 10 0 BEAEHN C[C@@H]1C[C@@H](C)CCN1c1ccnc(CN)c1 ZINC000051748755 132361814 /nfs/dbraw/zinc/36/18/14/132361814.db2.gz ULCKDFGMISZHEM-WDEREUQCSA-N 0 3 219.332 2.165 10 0 BEAEHN CN1c2ccccc2[C@@H](NC2CCC2)CC1=O ZINC000052208590 132362190 /nfs/dbraw/zinc/36/21/90/132362190.db2.gz OJDBEXDXNXVONR-LBPRGKRZSA-N 0 3 230.311 2.236 10 0 BEAEHN Cc1cc(N2CCN(C(C)C)CC2)ccc1N ZINC000057579534 132365976 /nfs/dbraw/zinc/36/59/76/132365976.db2.gz XJTKUCYUFASEQK-UHFFFAOYSA-N 0 3 233.359 2.108 10 0 BEAEHN C[C@H]1C[C@@H](CN2CC(C(F)(F)F)C2)CCO1 ZINC000336188918 134122435 /nfs/dbraw/zinc/12/24/35/134122435.db2.gz LOEKFGGFBOOCCH-IUCAKERBSA-N 0 3 237.265 2.296 10 0 BEAEHN CCN1CCN(C[C@H]2CCCC2(F)F)CC1 ZINC000336189745 134122968 /nfs/dbraw/zinc/12/29/68/134122968.db2.gz NUOOZHZWIUXWJS-LLVKDONJSA-N 0 3 232.318 2.059 10 0 BEAEHN CC(C)CCOCCN1CCS[C@@H](C)C1 ZINC000170901322 134254948 /nfs/dbraw/zinc/25/49/48/134254948.db2.gz QASUGPKAXNEFQR-LBPRGKRZSA-N 0 3 231.405 2.486 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C(C)C ZINC000177024275 134293527 /nfs/dbraw/zinc/29/35/27/134293527.db2.gz GKUMBEOFYGOSSD-QWHCGFSZSA-N 0 3 240.391 2.221 10 0 BEAEHN CCCCC(=O)N(C)C[C@H]1CCCN1CC ZINC000176974191 134295525 /nfs/dbraw/zinc/29/55/25/134295525.db2.gz VZWCZCUUAIBISW-GFCCVEGCSA-N 0 3 226.364 2.119 10 0 BEAEHN CCn1nc(C)c([C@H](C)NC[C@@H](C)OC)c1C ZINC000223969068 134343425 /nfs/dbraw/zinc/34/34/25/134343425.db2.gz YZAUKBJTLGMREW-ZJUUUORDSA-N 0 3 239.363 2.205 10 0 BEAEHN C1OCC1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227244981 134376348 /nfs/dbraw/zinc/37/63/48/134376348.db2.gz PZGKUEKQUDFGAE-UTUOFQBUSA-N 0 3 209.333 2.334 10 0 BEAEHN c1nc2n(n1)CCC[C@H]2N[C@H]1CCC12CCCC2 ZINC000189147596 134540941 /nfs/dbraw/zinc/54/09/41/134540941.db2.gz NCKSIESBZUQBSN-NEPJUHHUSA-N 0 3 246.358 2.425 10 0 BEAEHN CC(C)[C@H](N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395348 134659180 /nfs/dbraw/zinc/65/91/80/134659180.db2.gz JZPXWTBERVMVTH-KGLIPLIRSA-N 0 3 246.354 2.252 10 0 BEAEHN CSCCN[C@@H]1CCc2c1cccc2O ZINC000068996912 134896721 /nfs/dbraw/zinc/89/67/21/134896721.db2.gz HWJKIKBDXVRXSP-LLVKDONJSA-N 0 3 223.341 2.332 10 0 BEAEHN C[C@@H]1CN(CCC2OCCO2)[C@H]1c1ccccc1 ZINC000248632542 135017056 /nfs/dbraw/zinc/01/70/56/135017056.db2.gz SQJBTWIHSHUQSO-IUODEOHRSA-N 0 3 247.338 2.442 10 0 BEAEHN C[C@H]1CN(C[C@@H](O)C2CCCCC2)CCS1 ZINC000249155366 135034909 /nfs/dbraw/zinc/03/49/09/135034909.db2.gz YMTPEICVMZBCRA-WCQYABFASA-N 0 3 243.416 2.365 10 0 BEAEHN CCN1CCC[C@H](N[C@H](C)c2cccnc2)C1 ZINC000249613328 135041944 /nfs/dbraw/zinc/04/19/44/135041944.db2.gz JIIISOGSMPUZSM-OCCSQVGLSA-N 0 3 233.359 2.217 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CC1CC1 ZINC000251585200 135072208 /nfs/dbraw/zinc/07/22/08/135072208.db2.gz CMPTWQXDHNFCLT-KGLIPLIRSA-N 0 3 222.376 2.345 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1nccn1C ZINC000252731178 135104783 /nfs/dbraw/zinc/10/47/83/135104783.db2.gz OPRGMZKLLJWBID-MXWKQRLJSA-N 0 3 207.321 2.259 10 0 BEAEHN CC[C@@H](NCc1ccn(C)n1)C(C)(C)C ZINC000163913591 135208440 /nfs/dbraw/zinc/20/84/40/135208440.db2.gz SGNIZSZAVUUEQP-LLVKDONJSA-N 0 3 209.337 2.334 10 0 BEAEHN CC[C@@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000079025177 135267488 /nfs/dbraw/zinc/26/74/88/135267488.db2.gz DRZXOCINDOOOJH-VXGBXAGGSA-N 0 3 243.395 2.060 10 0 BEAEHN Cc1ccoc1CN[C@H]1CCCC[C@@H]1CO ZINC000164622999 397795131 /nfs/dbraw/zinc/79/51/31/397795131.db2.gz MZCHSZXNHIHNNQ-NEPJUHHUSA-N 0 3 223.316 2.229 10 0 BEAEHN CNc1ccccc1[C@@H]1CCN(C)CCO1 ZINC000616687321 397929514 /nfs/dbraw/zinc/92/95/14/397929514.db2.gz UOFPVGOWPOYUJA-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000020551073 397966720 /nfs/dbraw/zinc/96/67/20/397966720.db2.gz ZCXJXOMGGOGZHR-MWLCHTKSSA-N 0 3 239.290 2.361 10 0 BEAEHN CC(C)c1nccc(NC[C@@H]2CCCN2C)n1 ZINC000110282971 397903630 /nfs/dbraw/zinc/90/36/30/397903630.db2.gz RWUOABOBBKDAPO-NSHDSACASA-N 0 3 234.347 2.106 10 0 BEAEHN C[C@@H]1CN(C[C@H]2CCC[C@@H](O)C2)CC(C)(C)O1 ZINC000383873672 398046521 /nfs/dbraw/zinc/04/65/21/398046521.db2.gz IERASLWGERUXGX-FRRDWIJNSA-N 0 3 241.375 2.037 10 0 BEAEHN NCc1nccc2c(F)c(F)c(F)cc21 ZINC000082768814 398010548 /nfs/dbraw/zinc/01/05/48/398010548.db2.gz YGLHGXRLFQKSEQ-UHFFFAOYSA-N 0 3 212.174 2.111 10 0 BEAEHN C[C@H](CCc1ccco1)NCc1nccn1C ZINC000042225524 398030492 /nfs/dbraw/zinc/03/04/92/398030492.db2.gz CLVVSLNJESGAJQ-LLVKDONJSA-N 0 3 233.315 2.124 10 0 BEAEHN CC[C@H]1C[C@@]1(N)c1ccncc1Br ZINC000307316959 398077376 /nfs/dbraw/zinc/07/73/76/398077376.db2.gz OAKNSZLXFHPCRF-XVKPBYJWSA-N 0 3 241.132 2.428 10 0 BEAEHN CC(C)CN[C@@H]1COc2cc(O)ccc21 ZINC000019883222 167011969 /nfs/dbraw/zinc/01/19/69/167011969.db2.gz GLVYAFJKPFJVSQ-LLVKDONJSA-N 0 3 207.273 2.071 10 0 BEAEHN CC(C)CN[C@H](C(N)=O)c1cccc(Cl)c1 ZINC000037946172 167013762 /nfs/dbraw/zinc/01/37/62/167013762.db2.gz YTWHJTJJYFQKAK-NSHDSACASA-N 0 3 240.734 2.112 10 0 BEAEHN CC(C)N1C[C@H](NCc2ccco2)[C@@H](C)C1 ZINC000088668904 167032945 /nfs/dbraw/zinc/03/29/45/167032945.db2.gz OIVJWASEHOGFHN-AAEUAGOBSA-N 0 3 222.332 2.098 10 0 BEAEHN CC(C)NCc1ccc(OC2CCCC2)nn1 ZINC000051523204 167118619 /nfs/dbraw/zinc/11/86/19/167118619.db2.gz OOCNGCXFPPYPJZ-UHFFFAOYSA-N 0 3 235.331 2.296 10 0 BEAEHN CC(C)NCc1cnc(N2CCCC2)s1 ZINC000054899964 167120431 /nfs/dbraw/zinc/12/04/31/167120431.db2.gz IJPPHHXQKCEZGL-UHFFFAOYSA-N 0 3 225.361 2.241 10 0 BEAEHN Cc1nc(C)c([C@H](C)N[C@@H]2CCC[C@@H]2O)s1 ZINC000040518685 409825833 /nfs/dbraw/zinc/82/58/33/409825833.db2.gz WYWOJCSTSZNLII-GDPRMGEGSA-N 0 3 240.372 2.324 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cc(C)cc(C)c1 ZINC000662646327 409809139 /nfs/dbraw/zinc/80/91/39/409809139.db2.gz INZFHJBFUPOYOU-TZMCWYRMSA-N 0 3 248.370 2.293 10 0 BEAEHN CNC(=O)CCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000044988497 409872689 /nfs/dbraw/zinc/87/26/89/409872689.db2.gz LEPAICXTQGNAPK-LBPRGKRZSA-N 0 3 234.343 2.090 10 0 BEAEHN Brc1cc2c(s1)CNC2 ZINC000082380796 166095700 /nfs/dbraw/zinc/09/57/00/166095700.db2.gz HBVUXWPRBKGVTF-UHFFFAOYSA-N 0 3 204.092 2.114 10 0 BEAEHN Cc1ccc(CN(C)CCC(=O)NC(C)C)cc1 ZINC000046502539 410165776 /nfs/dbraw/zinc/16/57/76/410165776.db2.gz NXVKXYNRVHFDHB-UHFFFAOYSA-N 0 3 248.370 2.342 10 0 BEAEHN Brc1cccnc1[C@@H]1CCCN1 ZINC000083323798 166103245 /nfs/dbraw/zinc/10/32/45/166103245.db2.gz QDKPSJFPVOQGKZ-QMMMGPOBSA-N 0 3 227.105 2.269 10 0 BEAEHN Brc1ccccc1[C@H]1CCN1 ZINC000077284950 166103409 /nfs/dbraw/zinc/10/34/09/166103409.db2.gz RWECNCYGZCQMRQ-SECBINFHSA-N 0 3 212.090 2.484 10 0 in-vitro BEAEHN CC(C)CNCc1nn(C)nc1-c1ccccc1 ZINC000045944763 167009700 /nfs/dbraw/zinc/00/97/00/167009700.db2.gz NXGLAACGXJVSHA-UHFFFAOYSA-N 0 3 244.342 2.228 10 0 BEAEHN CC(C)CN[C@](C(N)=O)(c1ccccc1)C(C)C ZINC000037951960 167014473 /nfs/dbraw/zinc/01/44/73/167014473.db2.gz FOFVEUMDJRSCGP-HNNXBMFYSA-N 0 3 248.370 2.269 10 0 BEAEHN CC(C)COC1CCN(C[C@H]2CCCO2)CC1 ZINC000122787344 167023467 /nfs/dbraw/zinc/02/34/67/167023467.db2.gz DHJFTNVDNKCQLN-CQSZACIVSA-N 0 3 241.375 2.302 10 0 BEAEHN CC(C)N1C[C@H](NC(=O)c2ccccc2)[C@@H](C)C1 ZINC000155563454 167033416 /nfs/dbraw/zinc/03/34/16/167033416.db2.gz AJFOQEDAKZSYLT-JSGCOSHPSA-N 0 3 246.354 2.145 10 0 BEAEHN CC(C)NCc1nc(-c2ccco2)c[nH]1 ZINC000037477451 167121176 /nfs/dbraw/zinc/12/11/76/167121176.db2.gz HZUZWVLQRUZJRC-UHFFFAOYSA-N 0 3 205.261 2.168 10 0 BEAEHN CC(C)NCc1cnc(-c2ncccn2)s1 ZINC000040996747 167121205 /nfs/dbraw/zinc/12/12/05/167121205.db2.gz KNKQWUQBHBSYIW-UHFFFAOYSA-N 0 3 234.328 2.098 10 0 BEAEHN CC(C)N[C@H](CCO)c1cccnc1Cl ZINC000095088302 167139021 /nfs/dbraw/zinc/13/90/21/167139021.db2.gz FYHLFHWLVDWMSD-SNVBAGLBSA-N 0 3 228.723 2.157 10 0 BEAEHN CC(C)N[C@@H](CCO)c1cccnc1Cl ZINC000095088301 167132859 /nfs/dbraw/zinc/13/28/59/167132859.db2.gz FYHLFHWLVDWMSD-JTQLQIEISA-N 0 3 228.723 2.157 10 0 BEAEHN CC(C)N[C@@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446531 167137290 /nfs/dbraw/zinc/13/72/90/167137290.db2.gz WLSMCFPUBGNTCR-GFCCVEGCSA-N 0 3 240.734 2.039 10 0 BEAEHN CC(C)Nc1nc2c(cc1CN)CCCC2 ZINC000050423136 167150383 /nfs/dbraw/zinc/15/03/83/167150383.db2.gz HOMLTUIUHYUDBR-UHFFFAOYSA-N 0 3 219.332 2.239 10 0 BEAEHN CC(C)Oc1ccc(Cl)cc1CNCCO ZINC000026482869 167294505 /nfs/dbraw/zinc/29/45/05/167294505.db2.gz UBCJRSLVDOYDFQ-UHFFFAOYSA-N 0 3 243.734 2.209 10 0 BEAEHN CC(C)Oc1ccc(CNCCO)cc1Cl ZINC000026482877 167295147 /nfs/dbraw/zinc/29/51/47/167295147.db2.gz INPCSBUPWMSDJV-UHFFFAOYSA-N 0 3 243.734 2.209 10 0 BEAEHN CC(C)Oc1ccc([C@H](O)CN(C)C)cc1 ZINC000044122560 167301525 /nfs/dbraw/zinc/30/15/25/167301525.db2.gz MDCQIDJJCLICPE-CYBMUJFWSA-N 0 3 223.316 2.069 10 0 BEAEHN CC(C)Oc1ccccc1CNCCN(C)C ZINC000032090186 167310918 /nfs/dbraw/zinc/31/09/18/167310918.db2.gz COQFHQPJRSSTBF-UHFFFAOYSA-N 0 3 236.359 2.125 10 0 BEAEHN CCOC[C@H](C)NCc1cnc2ccccc2n1 ZINC000044691366 411139367 /nfs/dbraw/zinc/13/93/67/411139367.db2.gz PNFCFSBJZSWAAZ-NSHDSACASA-N 0 3 245.326 2.144 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)C1CCCC1 ZINC000069805637 411295631 /nfs/dbraw/zinc/29/56/31/411295631.db2.gz SIBMKDDPLZBBDY-CMPLNLGQSA-N 0 3 226.364 2.055 10 0 BEAEHN Cc1cc(CNCCc2scnc2C)on1 ZINC000050285090 411255786 /nfs/dbraw/zinc/25/57/86/411255786.db2.gz RRJRTUOCWSFGTR-UHFFFAOYSA-N 0 3 237.328 2.080 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1ccc(F)c(F)c1 ZINC000658350585 411352184 /nfs/dbraw/zinc/35/21/84/411352184.db2.gz GKTTYTXCGCJQOP-FKTRJACZSA-N 0 3 241.281 2.386 10 0 BEAEHN Cc1ccc([C@H](C)NC2CC(CO)C2)o1 ZINC000658351990 411354724 /nfs/dbraw/zinc/35/47/24/411354724.db2.gz SADFXCLYPDSLBG-WHXUTIOJSA-N 0 3 209.289 2.010 10 0 BEAEHN CC1=CCOC[C@@H]1NCc1ccccc1 ZINC000075603669 168116716 /nfs/dbraw/zinc/11/67/16/168116716.db2.gz JCCAPKKAFNRPAP-ZDUSSCGKSA-N 0 3 203.285 2.121 10 0 BEAEHN CC1=C[C@H](C)CN(C(=O)C23CCCN2CCC3)C1 ZINC000336498529 168126755 /nfs/dbraw/zinc/12/67/55/168126755.db2.gz SOEPUXDREALIHL-LBPRGKRZSA-N 0 3 248.370 2.039 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000659359111 411375418 /nfs/dbraw/zinc/37/54/18/411375418.db2.gz WMXMKRGJUZSRNY-DGCLKSJQSA-N 0 3 238.375 2.023 10 0 BEAEHN CC1CCC(NC(=O)C2(N)CCCCC2)CC1 ZINC000019505559 168160327 /nfs/dbraw/zinc/16/03/27/168160327.db2.gz PWIFXYGLMDOWNO-UHFFFAOYSA-N 0 3 238.375 2.343 10 0 BEAEHN Cc1cc(C(C)C)nc(NC[C@H](C)N(C)C)n1 ZINC000122386704 411432119 /nfs/dbraw/zinc/43/21/19/411432119.db2.gz ZKULWVRPJGYSSB-NSHDSACASA-N 0 3 236.363 2.270 10 0 BEAEHN C[C@@H](NC(=O)[C@@H](CN)c1ccccc1)C(C)(C)C ZINC000122644091 411433693 /nfs/dbraw/zinc/43/36/93/411433693.db2.gz STMJRRQTQZISNX-YPMHNXCESA-N 0 3 248.370 2.280 10 0 BEAEHN CCN(c1nc(C)c([C@@H](C)N)s1)C1CC1 ZINC000054895261 169944379 /nfs/dbraw/zinc/94/43/79/169944379.db2.gz XCJBAKYKDSLULU-SSDOTTSWSA-N 0 3 225.361 2.460 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc2n1CCC2 ZINC000657385881 411489366 /nfs/dbraw/zinc/48/93/66/411489366.db2.gz UPYPHWTYNSDWEY-PWSUYJOCSA-N 0 3 219.332 2.108 10 0 BEAEHN CC[C@@H]1C[C@@H](N[C@H](C)c2cncc(F)c2)CO1 ZINC000657430687 411507920 /nfs/dbraw/zinc/50/79/20/411507920.db2.gz ANXCWERSZOPVBP-OASPWFOLSA-N 0 3 238.306 2.439 10 0 BEAEHN CCN1CC[C@@H](N[C@H]2CCCc3occc32)C1 ZINC000328380142 170014808 /nfs/dbraw/zinc/01/48/08/170014808.db2.gz VAZMPTJXRHWWDL-YPMHNXCESA-N 0 3 234.343 2.341 10 0 BEAEHN CCNC(=O)CCN[C@@H](C)c1ccc(C)cc1C ZINC000135715155 170052700 /nfs/dbraw/zinc/05/27/00/170052700.db2.gz AGWICEVDYCEUGP-ZDUSSCGKSA-N 0 3 248.370 2.480 10 0 BEAEHN CCNCc1c[nH]c(-c2ccccc2)n1 ZINC000062821031 170124775 /nfs/dbraw/zinc/12/47/75/170124775.db2.gz NQCFXEHJTQPKEW-UHFFFAOYSA-N 0 3 201.273 2.186 10 0 BEAEHN CC[NH2+]Cc1cc(Cl)c([O-])c(OC)c1 ZINC000032021270 170125404 /nfs/dbraw/zinc/12/54/04/170125404.db2.gz RYIFHTOJPRKTBC-UHFFFAOYSA-N 0 3 215.680 2.164 10 0 BEAEHN CCNCc1cc(OC)ccc1OCC(F)F ZINC000037755445 170125547 /nfs/dbraw/zinc/12/55/47/170125547.db2.gz FVHALNDZNHIXRG-UHFFFAOYSA-N 0 3 245.269 2.449 10 0 BEAEHN CCNCc1ccc(N(C)c2ccccc2)nn1 ZINC000051399627 170127591 /nfs/dbraw/zinc/12/75/91/170127591.db2.gz HPLBRQGUSRXSPP-UHFFFAOYSA-N 0 3 242.326 2.354 10 0 BEAEHN CCNCc1cccnc1N1CC[C@@H](C)C1 ZINC000051448267 170129008 /nfs/dbraw/zinc/12/90/08/170129008.db2.gz BYGAPFRJPWJOLP-LLVKDONJSA-N 0 3 219.332 2.037 10 0 BEAEHN CCNCc1cnn(Cc2cccc(F)c2)c1C ZINC000071193506 170130656 /nfs/dbraw/zinc/13/06/56/170130656.db2.gz YYCFQNXDSDCYKD-UHFFFAOYSA-N 0 3 247.317 2.488 10 0 BEAEHN CCNCc1nc2ccc(F)cc2n1CC ZINC000052124619 170132151 /nfs/dbraw/zinc/13/21/51/170132151.db2.gz CLAUKHKOUVHWLM-UHFFFAOYSA-N 0 3 221.279 2.305 10 0 BEAEHN CCNCc1sc([C@H]2CCCO2)nc1C ZINC000062214222 170133100 /nfs/dbraw/zinc/13/31/00/170133100.db2.gz JALKWTVHVPVJOC-SECBINFHSA-N 0 3 226.345 2.413 10 0 BEAEHN CCN[C@@H](C(N)=O)c1csc2ccccc21 ZINC000054464932 170137727 /nfs/dbraw/zinc/13/77/27/170137727.db2.gz JXWAHKOWYFFBHC-LLVKDONJSA-N 0 3 234.324 2.037 10 0 BEAEHN CCN[C@@H](C)c1c(F)cccc1OCCCO ZINC000034845395 170140888 /nfs/dbraw/zinc/14/08/88/170140888.db2.gz OQINATUFYFIQNQ-JTQLQIEISA-N 0 3 241.306 2.257 10 0 BEAEHN CCN[C@@H](COC)c1ccc(OCC)cc1 ZINC000044043695 170146439 /nfs/dbraw/zinc/14/64/39/170146439.db2.gz SSFRXIIKHIAEOT-ZDUSSCGKSA-N 0 3 223.316 2.382 10 0 BEAEHN CCN[C@@H](C[C@H]1CCCO1)c1cncc(F)c1 ZINC000049576347 170146509 /nfs/dbraw/zinc/14/65/09/170146509.db2.gz YRBDTSWDKNQQBW-OLZOCXBDSA-N 0 3 238.306 2.440 10 0 BEAEHN CCN[C@@H](Cc1ncc[nH]1)c1ccccc1F ZINC000035570328 170146627 /nfs/dbraw/zinc/14/66/27/170146627.db2.gz YPIGKWXDNZJAFF-LBPRGKRZSA-N 0 3 233.290 2.442 10 0 BEAEHN CCN[C@@H](c1ccc(C)cc1)[C@@H]1COCCO1 ZINC000055299914 170147560 /nfs/dbraw/zinc/14/75/60/170147560.db2.gz BQQSAMNZRBMDAC-KBPBESRZSA-N 0 3 235.327 2.061 10 0 BEAEHN CCN[C@@H](c1ccc(C)s1)[C@@H]1COCCO1 ZINC000055299825 170147649 /nfs/dbraw/zinc/14/76/49/170147649.db2.gz YVXOFIUWMWOAIO-CMPLNLGQSA-N 0 3 241.356 2.123 10 0 BEAEHN CCN[C@@H]1CCN(C[C@H]2CCCC[C@@H]2C)C1=O ZINC000042864339 170152034 /nfs/dbraw/zinc/15/20/34/170152034.db2.gz ZZGOABCGMJXKFP-YNEHKIRRSA-N 0 3 238.375 2.023 10 0 BEAEHN CCN[C@@H]1COc2ccc(Br)cc21 ZINC000035657579 170153812 /nfs/dbraw/zinc/15/38/12/170153812.db2.gz TVNRVSZATDLTQU-SECBINFHSA-N 0 3 242.116 2.492 10 0 BEAEHN CCN[C@@H]1CC[S@@](=O)c2c(F)cc(F)cc21 ZINC000040977135 170154023 /nfs/dbraw/zinc/15/40/23/170154023.db2.gz XOIMWNCQKHPCIR-HWPZZCPQSA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@H](C(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000037869605 170156001 /nfs/dbraw/zinc/15/60/01/170156001.db2.gz YZJIBYDRKJSBBW-LBPRGKRZSA-N 0 3 234.343 2.120 10 0 BEAEHN CCN[C@H](C)c1nc2c(cccc2F)[nH]1 ZINC000062366096 170159916 /nfs/dbraw/zinc/15/99/16/170159916.db2.gz YGCAJUNWJPGMNK-SSDOTTSWSA-N 0 3 207.252 2.373 10 0 BEAEHN CCN[C@H](CO)c1ccc(OC(C)C)c(F)c1 ZINC000071550656 170162116 /nfs/dbraw/zinc/16/21/16/170162116.db2.gz IHAUZVKNOMGOTI-GFCCVEGCSA-N 0 3 241.306 2.256 10 0 BEAEHN CCN[C@H](CO)c1ccc(F)c(Cl)c1 ZINC000083264182 170162737 /nfs/dbraw/zinc/16/27/37/170162737.db2.gz NNINNYLFIHDZRN-SNVBAGLBSA-N 0 3 217.671 2.122 10 0 BEAEHN CCN[C@@H](c1cnn(C)c1)c1cccc(C)c1 ZINC000035556005 170164398 /nfs/dbraw/zinc/16/43/98/170164398.db2.gz OMXKAQKWFGCVIY-CQSZACIVSA-N 0 3 229.327 2.427 10 0 BEAEHN Cc1c(CNC[C@H](C)c2ccccn2)cnn1C ZINC000657536319 411545823 /nfs/dbraw/zinc/54/58/23/411545823.db2.gz VPVSWXIZBUDUSX-NSHDSACASA-N 0 3 244.342 2.017 10 0 BEAEHN CCN[C@H]1CCC[S@@](=O)c2c(F)cccc21 ZINC000040976272 170167168 /nfs/dbraw/zinc/16/71/68/170167168.db2.gz NHCKQJDJQDTBDJ-ZBEGNZNMSA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@H]1CCN([C@@H](C)c2ccsc2)C1=O ZINC000061363813 170167843 /nfs/dbraw/zinc/16/78/43/170167843.db2.gz APZSZIYYEXWFJD-ONGXEEELSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@H]1c2ccc(F)c(F)c2O[C@@H]1C ZINC000062611523 170169376 /nfs/dbraw/zinc/16/93/76/170169376.db2.gz MOWNCBLLAQETIN-LHLIQPBNSA-N 0 3 213.227 2.396 10 0 BEAEHN CCN[C@H]1c2cc(OC)ccc2O[C@@H]1C ZINC000049851030 170169433 /nfs/dbraw/zinc/16/94/33/170169433.db2.gz UDCJVHJGFANVAR-PRHODGIISA-N 0 3 207.273 2.127 10 0 BEAEHN CCNc1cc(CN2CC[C@@H](C)C2)ccn1 ZINC000052723171 170171759 /nfs/dbraw/zinc/17/17/59/170171759.db2.gz UPZSKBWPXYCDJQ-LLVKDONJSA-N 0 3 219.332 2.355 10 0 BEAEHN CCOC(=O)CCNCc1cccc(C)c1C ZINC000045689219 170208757 /nfs/dbraw/zinc/20/87/57/170208757.db2.gz OVEIRQFODFAFSN-UHFFFAOYSA-N 0 3 235.327 2.346 10 0 BEAEHN CCOC(=O)CCNCc1c(C)cccc1C ZINC000083362436 170209477 /nfs/dbraw/zinc/20/94/77/170209477.db2.gz KRSKZPJHGSSTCH-UHFFFAOYSA-N 0 3 235.327 2.346 10 0 BEAEHN CCOC(=O)[C@@H](C)n1c(N)nc2cc(C)ccc21 ZINC000049374761 170248779 /nfs/dbraw/zinc/24/87/79/170248779.db2.gz IGHIJJZBEBFRBD-SECBINFHSA-N 0 3 247.298 2.051 10 0 BEAEHN CCOC(=O)[C@H](C)n1c(N)nc2cc(C)ccc21 ZINC000049374763 170270763 /nfs/dbraw/zinc/27/07/63/170270763.db2.gz IGHIJJZBEBFRBD-VIFPVBQESA-N 0 3 247.298 2.051 10 0 BEAEHN CCOC1CC([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000224395781 170329100 /nfs/dbraw/zinc/32/91/00/170329100.db2.gz KDBPBVATPUNYHQ-UHFFFAOYSA-N 0 3 239.290 2.188 10 0 BEAEHN CCOCCN(CC)Cc1cc(F)ccc1N ZINC000104189641 170394603 /nfs/dbraw/zinc/39/46/03/170394603.db2.gz LOTBRHCBXZQKJA-UHFFFAOYSA-N 0 3 240.322 2.266 10 0 BEAEHN CCOCCN(CC)[C@H]1CNc2ccccc2C1 ZINC000104201807 170395663 /nfs/dbraw/zinc/39/56/63/170395663.db2.gz LYDZHDFEDIIETE-CQSZACIVSA-N 0 3 248.370 2.382 10 0 BEAEHN CCc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)[n-]1 ZINC000131642890 411581808 /nfs/dbraw/zinc/58/18/08/411581808.db2.gz NUTRUVJKRDTUOC-GUBZILKMSA-N 0 3 222.336 2.206 10 0 BEAEHN CCc1nnc([C@H](C)N[C@H]2CCC[C@@H]2C)[nH]1 ZINC000131642890 411581810 /nfs/dbraw/zinc/58/18/10/411581810.db2.gz NUTRUVJKRDTUOC-GUBZILKMSA-N 0 3 222.336 2.206 10 0 BEAEHN CCOC[C@H](C)N[C@@H](C)c1ccncc1 ZINC000044688728 170446994 /nfs/dbraw/zinc/44/69/94/170446994.db2.gz WIMVCRJRCHVJAW-QWRGUYRKSA-N 0 3 208.305 2.157 10 0 BEAEHN CC(C)c1nccnc1N[C@@H]1CCN(C2CC2)C1 ZINC000663425276 411657932 /nfs/dbraw/zinc/65/79/32/411657932.db2.gz ONYFZEDUWTVGSW-LLVKDONJSA-N 0 3 246.358 2.249 10 0 BEAEHN CCCc1nccnc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000663662274 411717186 /nfs/dbraw/zinc/71/71/86/411717186.db2.gz TZMUKJKPDVFEES-RYUDHWBXSA-N 0 3 248.374 2.324 10 0 BEAEHN CC[C@@H](C)CN[C@H]1COc2cc(O)ccc21 ZINC000054467347 170709447 /nfs/dbraw/zinc/70/94/47/170709447.db2.gz XZKFGOKGEWXBHS-SKDRFNHKSA-N 0 3 221.300 2.461 10 0 BEAEHN CC[C@@H](C)Oc1cccc(F)c1C(=N)N ZINC000036307622 170766979 /nfs/dbraw/zinc/76/69/79/170766979.db2.gz GTQNQCXAIAOVPC-SSDOTTSWSA-N 0 3 210.252 2.287 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C)(C)CC1 ZINC000061821054 170777702 /nfs/dbraw/zinc/77/77/02/170777702.db2.gz UAENOEUDCSVTEK-GHMZBOCLSA-N 0 3 226.364 2.008 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccccc2C)CN1 ZINC000036672826 171109765 /nfs/dbraw/zinc/10/97/65/171109765.db2.gz HMVXIIJPVOHBJL-DGCLKSJQSA-N 0 3 205.301 2.435 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccc(F)cc2)CN1 ZINC000036986243 171110473 /nfs/dbraw/zinc/11/04/73/171110473.db2.gz KLWHMGCCOGAGLM-VXGBXAGGSA-N 0 3 209.264 2.265 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccc(C)s2)CN1 ZINC000036672932 171113384 /nfs/dbraw/zinc/11/33/84/171113384.db2.gz QUTDVMSSCDOOCP-ZJUUUORDSA-N 0 3 211.330 2.496 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccc(OC)c(F)c2)CN1 ZINC000036672952 171114018 /nfs/dbraw/zinc/11/40/18/171114018.db2.gz FYBOWSXTZFWKQQ-MFKMUULPSA-N 0 3 239.290 2.274 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccc(OC)cc2)CN1 ZINC000036672864 171114102 /nfs/dbraw/zinc/11/41/02/171114102.db2.gz SITSGZLMIKJUHX-YPMHNXCESA-N 0 3 221.300 2.135 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1ccoc1C ZINC000119409954 171177638 /nfs/dbraw/zinc/17/76/38/171177638.db2.gz MBJCDPFBTMFXEE-GFCCVEGCSA-N 0 3 211.305 2.181 10 0 BEAEHN CC[C@H](C)CN[C@H]1COc2cc(O)ccc21 ZINC000054467349 171288405 /nfs/dbraw/zinc/28/84/05/171288405.db2.gz XZKFGOKGEWXBHS-CABZTGNLSA-N 0 3 221.300 2.461 10 0 BEAEHN CC[C@H](C)N(C)c1nc2ccccn2c1CN ZINC000035449337 171309334 /nfs/dbraw/zinc/30/93/34/171309334.db2.gz AGGLILNOZMOLAY-JTQLQIEISA-N 0 3 232.331 2.028 10 0 BEAEHN CC[C@H](C)N(C)c1nc(C)c(CN)s1 ZINC000054996721 171309674 /nfs/dbraw/zinc/30/96/74/171309674.db2.gz DPBARXYXPUBWJZ-ZETCQYMHSA-N 0 3 213.350 2.145 10 0 BEAEHN CC[C@H](C)N(CC)C(=O)C1(N)CCCCC1 ZINC000037113230 171311635 /nfs/dbraw/zinc/31/16/35/171311635.db2.gz OHMMAVALEWAHNH-NSHDSACASA-N 0 3 226.364 2.295 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)c1ccc(C)cc1 ZINC000163550998 171370143 /nfs/dbraw/zinc/37/01/43/171370143.db2.gz MXSHBXZMCKTGRX-WCQYABFASA-N 0 3 234.343 2.331 10 0 BEAEHN CC[C@H]1CCCN1c1ccnc(CNC)c1 ZINC000051398669 171622570 /nfs/dbraw/zinc/62/25/70/171622570.db2.gz OKDAKIHCIPQLOQ-LBPRGKRZSA-N 0 3 219.332 2.180 10 0 BEAEHN CCC[C@@H](N)C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000662627233 412247454 /nfs/dbraw/zinc/24/74/54/412247454.db2.gz CQBREQHWQQDIEC-MROQNXINSA-N 0 3 240.391 2.302 10 0 BEAEHN CC[C@H]1CO[C@](C)(c2ccccc2)CN1 ZINC000052099050 171674149 /nfs/dbraw/zinc/67/41/49/171674149.db2.gz DJFYDRBPKADWRW-STQMWFEESA-N 0 3 205.301 2.300 10 0 BEAEHN CCc1nc([C@H](NC)[C@@H]2CCOC2)sc1C ZINC000041060663 172007661 /nfs/dbraw/zinc/00/76/61/172007661.db2.gz UTAQTWBNQJUQTL-MWLCHTKSSA-N 0 3 240.372 2.311 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)CC ZINC000122879949 172014386 /nfs/dbraw/zinc/01/43/86/172014386.db2.gz NNYSYVRAYYCBMC-UWVGGRQHSA-N 0 3 222.336 2.064 10 0 BEAEHN CCn1c2ccccc2nc1C(C)(C)N ZINC000040911228 172134259 /nfs/dbraw/zinc/13/42/59/172134259.db2.gz MGYUQGVXVBFQSB-UHFFFAOYSA-N 0 3 203.289 2.250 10 0 BEAEHN CCn1c2cc(F)ccc2nc1C(C)(C)N ZINC000052124611 172134901 /nfs/dbraw/zinc/13/49/01/172134901.db2.gz AJWVVMIWTGPBQG-UHFFFAOYSA-N 0 3 221.279 2.389 10 0 BEAEHN CCn1c(CNCC(C)C)nc2cccnc21 ZINC000104314819 172144903 /nfs/dbraw/zinc/14/49/03/172144903.db2.gz HVUCTRVUPVNWTO-UHFFFAOYSA-N 0 3 232.331 2.197 10 0 BEAEHN CCn1cc([C@@H](N)c2ccsc2)cn1 ZINC000043469163 172194656 /nfs/dbraw/zinc/19/46/56/172194656.db2.gz VFYZUSQMILPMFF-JTQLQIEISA-N 0 3 207.302 2.013 10 0 BEAEHN CCn1cccc1CNC[C@H]1CCCCO1 ZINC000085609263 172207121 /nfs/dbraw/zinc/20/71/21/172207121.db2.gz FGAYPSWLSFLPJZ-CYBMUJFWSA-N 0 3 222.332 2.167 10 0 BEAEHN CCn1cccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000085608578 172209811 /nfs/dbraw/zinc/20/98/11/172209811.db2.gz SNQABDQTSKTGMB-YPMHNXCESA-N 0 3 222.332 2.165 10 0 BEAEHN CN1CCC(Sc2cccc(N)c2)CC1 ZINC000045809261 173000473 /nfs/dbraw/zinc/00/04/73/173000473.db2.gz PITRJBBZBKDHKQ-UHFFFAOYSA-N 0 3 222.357 2.455 10 0 BEAEHN CN1CCC(c2ccsc2)(C(C)(C)O)CC1 ZINC000000016955 173001302 /nfs/dbraw/zinc/00/13/02/173001302.db2.gz JHGNPHJSICLBBK-UHFFFAOYSA-N 0 3 239.384 2.482 10 0 BEAEHN CN1CCC(c2noc3ccc(N)cc32)CC1 ZINC000090504937 173001332 /nfs/dbraw/zinc/00/13/32/173001332.db2.gz PSAXQIGFMPMQOJ-UHFFFAOYSA-N 0 3 231.299 2.219 10 0 BEAEHN CN1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000040672718 173020032 /nfs/dbraw/zinc/02/00/32/173020032.db2.gz SMOKSFPNVPYPEQ-SECBINFHSA-N 0 3 228.723 2.117 10 0 BEAEHN CN1CCC[C@@](N)(c2cccc(Cl)c2)C1 ZINC000143130938 173036144 /nfs/dbraw/zinc/03/61/44/173036144.db2.gz QVWXOBCBRGTWEA-LBPRGKRZSA-N 0 3 224.735 2.220 10 0 BEAEHN CN1CCC[C@H]1COc1ccc(Cl)nc1 ZINC000026509298 173057221 /nfs/dbraw/zinc/05/72/21/173057221.db2.gz BFSJLIOTBDRFBB-VIFPVBQESA-N 0 3 226.707 2.208 10 0 BEAEHN CN1CC[C@H](Nc2cc(F)cc(F)c2)C1 ZINC000061984675 173155509 /nfs/dbraw/zinc/15/55/09/173155509.db2.gz NYQNIQRPGHYALV-JTQLQIEISA-N 0 3 212.243 2.081 10 0 BEAEHN CNC(=O)CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000037207569 173278309 /nfs/dbraw/zinc/27/83/09/173278309.db2.gz LXBGCXJKGFPRHO-GFCCVEGCSA-N 0 3 248.370 2.282 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@@H](C)CCc1cccc(C)c1 ZINC000042562181 173295417 /nfs/dbraw/zinc/29/54/17/173295417.db2.gz XXRYBDYNWUEOOT-QWHCGFSZSA-N 0 3 248.370 2.040 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(Cl)cc1 ZINC000061300192 173318530 /nfs/dbraw/zinc/31/85/30/173318530.db2.gz SNGXKEDIUHQLEN-UHFFFAOYSA-N 0 3 226.707 2.277 10 0 BEAEHN CNCC(=O)Nc1ccc2sccc2c1 ZINC000037019166 173333956 /nfs/dbraw/zinc/33/39/56/173333956.db2.gz DOVZNYAHFBXOIY-UHFFFAOYSA-N 0 3 220.297 2.059 10 0 BEAEHN CNCc1c(C)cc(C)nc1N(C)C1CC1 ZINC000051439372 173384116 /nfs/dbraw/zinc/38/41/16/173384116.db2.gz ILWJAMITVHOKMN-UHFFFAOYSA-N 0 3 219.332 2.016 10 0 BEAEHN CNCc1cc(C)nc(C2CCCC2)n1 ZINC000054830949 173385814 /nfs/dbraw/zinc/38/58/14/173385814.db2.gz SVKKHFVEPWPIAZ-UHFFFAOYSA-N 0 3 205.305 2.162 10 0 BEAEHN CNCc1cc(C)ccc1O[C@H]1CCC[C@H]1O ZINC000071403599 173385910 /nfs/dbraw/zinc/38/59/10/173385910.db2.gz QRBMFYJAEJNBTC-OCCSQVGLSA-N 0 3 235.327 2.007 10 0 BEAEHN CNCc1cc(Cn2cc(Cl)cn2)oc1C ZINC000052577144 173387512 /nfs/dbraw/zinc/38/75/12/173387512.db2.gz WHIGNALTCSAJRU-UHFFFAOYSA-N 0 3 239.706 2.206 10 0 BEAEHN CNCc1ccc(Oc2ccc(C)cc2)nn1 ZINC000051545339 173388573 /nfs/dbraw/zinc/38/85/73/173388573.db2.gz MYNIHVJJOMIDKU-UHFFFAOYSA-N 0 3 229.283 2.297 10 0 BEAEHN CNCc1ccnc(-c2cc(F)ccc2C)n1 ZINC000054791154 173391471 /nfs/dbraw/zinc/39/14/71/173391471.db2.gz LVIYPERVPYILPU-UHFFFAOYSA-N 0 3 231.274 2.311 10 0 BEAEHN CNCc1cccnc1OCc1ccccc1 ZINC000051523250 173391872 /nfs/dbraw/zinc/39/18/72/173391872.db2.gz UUHSFGWTISFVRO-UHFFFAOYSA-N 0 3 228.295 2.380 10 0 BEAEHN CNCc1cnc(N2CC[C@@H](C)C[C@H]2C)s1 ZINC000054905294 173392102 /nfs/dbraw/zinc/39/21/02/173392102.db2.gz AYOQETAOMFVKRF-NXEZZACHSA-N 0 3 239.388 2.487 10 0 BEAEHN CNCc1cnc(N2CCC[C@H](C)C2)s1 ZINC000054900618 173392388 /nfs/dbraw/zinc/39/23/88/173392388.db2.gz MYFYEJPUBSPDPL-VIFPVBQESA-N 0 3 225.361 2.099 10 0 BEAEHN CNCc1cnc(-c2cccc(O)c2)s1 ZINC000040996944 173392575 /nfs/dbraw/zinc/39/25/75/173392575.db2.gz IOTHLEZNZDNPPC-UHFFFAOYSA-N 0 3 220.297 2.235 10 0 BEAEHN CNCc1cnc(Cc2ccccc2)s1 ZINC000040421782 173392586 /nfs/dbraw/zinc/39/25/86/173392586.db2.gz JOGKQVPRZCARKN-UHFFFAOYSA-N 0 3 218.325 2.453 10 0 BEAEHN CNCc1cnc([C@@H]2CCC[C@@H](C)C2)nc1 ZINC000054855484 173392638 /nfs/dbraw/zinc/39/26/38/173392638.db2.gz DVQHRLRSCWARSX-ZYHUDNBSSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cnc(N2CC[C@H](C)C2)c(Cl)c1 ZINC000051448470 173392648 /nfs/dbraw/zinc/39/26/48/173392648.db2.gz ONGFJAGUXSZCOW-VIFPVBQESA-N 0 3 239.750 2.301 10 0 BEAEHN CNCc1nc(-c2ccc(C)o2)cs1 ZINC000053294111 173394215 /nfs/dbraw/zinc/39/42/15/173394215.db2.gz WVPNYBKUFJCQEX-UHFFFAOYSA-N 0 3 208.286 2.431 10 0 BEAEHN CNCc1nc2cc(OC)ccc2n1C1CC1 ZINC000076044013 173396864 /nfs/dbraw/zinc/39/68/64/173396864.db2.gz XDKFCIWVNRRFJQ-UHFFFAOYSA-N 0 3 231.299 2.099 10 0 BEAEHN CNCc1nc(-c2cc(C)oc2C)c[nH]1 ZINC000036877342 173397969 /nfs/dbraw/zinc/39/79/69/173397969.db2.gz STVGOYSPAGLXDS-UHFFFAOYSA-N 0 3 205.261 2.006 10 0 BEAEHN CN[C@@H](C)c1cc(C)ccc1O[C@H]1CCOC1 ZINC000070071690 173418394 /nfs/dbraw/zinc/41/83/94/173418394.db2.gz WMIWTYUNVRJEMG-RYUDHWBXSA-N 0 3 235.327 2.443 10 0 BEAEHN CN[C@@H]1c2cccc(OC)c2S[C@@H]1C ZINC000043636208 173439602 /nfs/dbraw/zinc/43/96/02/173439602.db2.gz OLVPTFCBAMJZRN-XCBNKYQSSA-N 0 3 209.314 2.450 10 0 BEAEHN CN[C@H]1c2cccc(OC)c2S[C@H]1C ZINC000043642058 173468976 /nfs/dbraw/zinc/46/89/76/173468976.db2.gz OLVPTFCBAMJZRN-OIBJUYFYSA-N 0 3 209.314 2.450 10 0 BEAEHN COCCCN1CCC[C@@H]1c1ccco1 ZINC000116293629 174228951 /nfs/dbraw/zinc/22/89/51/174228951.db2.gz JHRGEYUEFAGEJO-LLVKDONJSA-N 0 3 209.289 2.453 10 0 BEAEHN COCCCOCc1occc1CNC(C)C ZINC000052597565 174255030 /nfs/dbraw/zinc/25/50/30/174255030.db2.gz XHZVRENXRKWVCK-UHFFFAOYSA-N 0 3 241.331 2.331 10 0 BEAEHN COCCCOCc1cc(CNC(C)C)co1 ZINC000052597739 174255105 /nfs/dbraw/zinc/25/51/05/174255105.db2.gz QHVISILHYPOPRY-UHFFFAOYSA-N 0 3 241.331 2.331 10 0 BEAEHN COCCN([C@H](C)[C@H](N)c1ccccc1)C1CC1 ZINC000042518141 174285657 /nfs/dbraw/zinc/28/56/57/174285657.db2.gz FVKNOARXDDTBTB-DOMZBBRYSA-N 0 3 248.370 2.186 10 0 BEAEHN COCCN(C[C@H]1C[C@H](C)CCC1=O)C1CC1 ZINC000053929355 174296897 /nfs/dbraw/zinc/29/68/97/174296897.db2.gz GSOHDHARTMVIFB-VXGBXAGGSA-N 0 3 239.359 2.103 10 0 BEAEHN COCCNCCOc1ccc(C(C)C)cc1 ZINC000041279077 174333356 /nfs/dbraw/zinc/33/33/56/174333356.db2.gz SSKFDFKRMWWPON-UHFFFAOYSA-N 0 3 237.343 2.425 10 0 BEAEHN COCCNCCOc1c(C)cc(C)cc1C ZINC000041279135 174333549 /nfs/dbraw/zinc/33/35/49/174333549.db2.gz MRSXQTHXGLEDTL-UHFFFAOYSA-N 0 3 237.343 2.227 10 0 BEAEHN COCCNCCOc1cccc(C(C)C)c1 ZINC000041279068 174333608 /nfs/dbraw/zinc/33/36/08/174333608.db2.gz SAUAFTXQBLXJRN-UHFFFAOYSA-N 0 3 237.343 2.425 10 0 BEAEHN COc1c(C)cnc(CNC(C)C)c1C ZINC000019844418 174926919 /nfs/dbraw/zinc/92/69/19/174926919.db2.gz JFSWHMDUTJADRP-UHFFFAOYSA-N 0 3 208.305 2.205 10 0 BEAEHN COc1cc([C@H]2CCCN(C)C2)ccc1N ZINC000075906353 175016549 /nfs/dbraw/zinc/01/65/49/175016549.db2.gz ZFSUHCWWEUIUHP-NSHDSACASA-N 0 3 220.316 2.087 10 0 BEAEHN COc1cc2c(c(Cl)c1OC)CCNC2 ZINC000082491567 175019519 /nfs/dbraw/zinc/01/95/19/175019519.db2.gz WSMHWQNERXARSE-UHFFFAOYSA-N 0 3 227.691 2.003 10 0 BEAEHN COc1ccc(-c2cncc(F)c2)cc1CN ZINC000049576670 175037072 /nfs/dbraw/zinc/03/70/72/175037072.db2.gz FJJUOXZGWFRUIR-UHFFFAOYSA-N 0 3 232.258 2.355 10 0 BEAEHN COc1ccc(C(=O)CNC(C)(C)C)cc1F ZINC000049829656 175053915 /nfs/dbraw/zinc/05/39/15/175053915.db2.gz SXOJEYGATROICJ-UHFFFAOYSA-N 0 3 239.290 2.405 10 0 BEAEHN COc1ccc(C(=O)[C@@H]2CCCN2)c(Cl)c1 ZINC000071549733 175065422 /nfs/dbraw/zinc/06/54/22/175065422.db2.gz FZOHHNGKFNUIOJ-NSHDSACASA-N 0 3 239.702 2.283 10 0 BEAEHN COc1ccc(C)cc1[C@@H]1CNC[C@H](C2CC2)O1 ZINC000071308781 175080421 /nfs/dbraw/zinc/08/04/21/175080421.db2.gz JSLYVZGIWCYUOP-CABCVRRESA-N 0 3 247.338 2.443 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)CN1CCCCC1 ZINC000022563850 175081892 /nfs/dbraw/zinc/08/18/92/175081892.db2.gz VMDROYCUKBMDRI-CQSZACIVSA-N 0 3 248.370 2.489 10 0 BEAEHN COc1ccc(Cl)cc1C(=O)[C@H]1CCCN1 ZINC000036164271 175120340 /nfs/dbraw/zinc/12/03/40/175120340.db2.gz DLVKBXDKLPNTMN-SNVBAGLBSA-N 0 3 239.702 2.283 10 0 BEAEHN COc1ccc(F)c(CN)c1Br ZINC000075844820 175124534 /nfs/dbraw/zinc/12/45/34/175124534.db2.gz RLUBXFLOVUCNFA-UHFFFAOYSA-N 0 3 234.068 2.056 10 0 BEAEHN COc1ccc(F)cc1CN[C@@H]1C[C@H]1C ZINC000291290066 175129480 /nfs/dbraw/zinc/12/94/80/175129480.db2.gz VNFVLNUMTFVFBN-LDYMZIIASA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(F)cc1[C@@H](N)[C@@H]1CCCO1 ZINC000034957122 175132295 /nfs/dbraw/zinc/13/22/95/175132295.db2.gz YFNJZZIQNWWDQN-NWDGAFQWSA-N 0 3 225.263 2.013 10 0 BEAEHN COc1ccc(F)cc1[C@H](N)[C@H]1CCCO1 ZINC000034957123 175134105 /nfs/dbraw/zinc/13/41/05/175134105.db2.gz YFNJZZIQNWWDQN-NEPJUHHUSA-N 0 3 225.263 2.013 10 0 BEAEHN COc1ccc([C@@H](N)c2ccncc2)c(C)c1 ZINC000019972441 175180237 /nfs/dbraw/zinc/18/02/37/175180237.db2.gz AMBHJKFLAHVWGF-AWEZNQCLSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1ccc([C@H](C)N[C@H]2C[C@@H]2C)cc1O ZINC000289822277 175190160 /nfs/dbraw/zinc/19/01/60/175190160.db2.gz PXHSNUVYICEARC-QXEWZRGKSA-N 0 3 221.300 2.460 10 0 BEAEHN COc1ccc([C@H](CO)NC(C)C)cc1Cl ZINC000071558205 175191113 /nfs/dbraw/zinc/19/11/13/175191113.db2.gz QETGMHLLALDJBK-NSHDSACASA-N 0 3 243.734 2.380 10 0 BEAEHN COc1ccc([C@H](N)[C@@H](C)n2ccnc2C)cc1 ZINC000023068844 175191798 /nfs/dbraw/zinc/19/17/98/175191798.db2.gz JMMOPHZCIRCFCH-QMTHXVAHSA-N 0 3 245.326 2.461 10 0 BEAEHN COc1ccc2c(N)c3c(nc2c1)CCC[C@H]3O ZINC000014946464 175204854 /nfs/dbraw/zinc/20/48/54/175204854.db2.gz OALAJFHZGANODE-GFCCVEGCSA-N 0 3 244.294 2.195 10 0 BEAEHN COc1ccc2c(c1)CC[C@H](n1ccnc1)[C@H]2N ZINC000019264106 175209712 /nfs/dbraw/zinc/20/97/12/175209712.db2.gz ZXNARMDEXQMJAQ-KBPBESRZSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1ccc2c(c1)[C@@H](N)CC1(CCC1)O2 ZINC000095616564 175214787 /nfs/dbraw/zinc/21/47/87/175214787.db2.gz CEYIVUSYTKCSHN-NSHDSACASA-N 0 3 219.284 2.400 10 0 BEAEHN COc1ccc2c(c1)[C@H](N)CC1(CCOCC1)O2 ZINC000075761556 175216578 /nfs/dbraw/zinc/21/65/78/175216578.db2.gz QFARJQXLHARJGQ-GFCCVEGCSA-N 0 3 249.310 2.027 10 0 BEAEHN COc1ccc2ccccc2c1C1=NCCN1 ZINC000013806102 175225764 /nfs/dbraw/zinc/22/57/64/175225764.db2.gz FDYRLMVRTVRXTB-UHFFFAOYSA-N 0 3 226.279 2.198 10 0 BEAEHN COc1cccc(C(=O)CNC(C)(C)C)c1 ZINC000033877729 175242917 /nfs/dbraw/zinc/24/29/17/175242917.db2.gz NPLBTGFMNPFAGQ-UHFFFAOYSA-N 0 3 221.300 2.266 10 0 BEAEHN COc1cccc(C(=O)c2ccc(CN)cc2)c1 ZINC000019779681 175247095 /nfs/dbraw/zinc/24/70/95/175247095.db2.gz ZKFJRNHEUIBDHI-UHFFFAOYSA-N 0 3 241.290 2.385 10 0 BEAEHN COc1cccc(C[C@@H](N)c2ccccn2)c1 ZINC000053816989 175271410 /nfs/dbraw/zinc/27/14/10/175271410.db2.gz HWKPDUSKRKSPGV-CYBMUJFWSA-N 0 3 228.295 2.333 10 0 BEAEHN COc1cccc(N(C)c2ncc(CN)s2)c1 ZINC000054896948 175275369 /nfs/dbraw/zinc/27/53/69/175275369.db2.gz RNQFCDWQUIZWAV-UHFFFAOYSA-N 0 3 249.339 2.378 10 0 BEAEHN COc1cccc(OC)c1CN[C@H]1C[C@H]1C ZINC000286721576 175281877 /nfs/dbraw/zinc/28/18/77/175281877.db2.gz XHNOHWXSXCKKSF-KOLCDFICSA-N 0 3 221.300 2.202 10 0 BEAEHN COc1cccc(OC)c1CN[C@@H]1C[C@H]1C ZINC000286721582 175281900 /nfs/dbraw/zinc/28/19/00/175281900.db2.gz XHNOHWXSXCKKSF-MWLCHTKSSA-N 0 3 221.300 2.202 10 0 BEAEHN COc1cccc([C@@H](N)c2ccncc2)c1F ZINC000075871361 175288576 /nfs/dbraw/zinc/28/85/76/175288576.db2.gz CMXVNIZPZLQLAY-ZDUSSCGKSA-N 0 3 232.258 2.277 10 0 BEAEHN COc1cccc([C@@H](N)c2cccnc2)c1 ZINC000037466380 175288580 /nfs/dbraw/zinc/28/85/80/175288580.db2.gz BTPPBEUHBACCTH-CYBMUJFWSA-N 0 3 214.268 2.138 10 0 BEAEHN COc1cccc([C@@H](N)CN2CCCCC2)c1 ZINC000019821398 175288843 /nfs/dbraw/zinc/28/88/43/175288843.db2.gz RFPXTMTXNWXLFQ-AWEZNQCLSA-N 0 3 234.343 2.181 10 0 BEAEHN COc1cccc([C@@H](N)c2ccc[nH]2)c1 ZINC000011848742 175289182 /nfs/dbraw/zinc/28/91/82/175289182.db2.gz DJDHUBHXLRFUJY-GFCCVEGCSA-N 0 3 202.257 2.071 10 0 BEAEHN COc1cccc([C@H](CN)OCC(F)(F)F)c1 ZINC000043029109 175294027 /nfs/dbraw/zinc/29/40/27/175294027.db2.gz IWSPRFXGWDRHJM-JTQLQIEISA-N 0 3 249.232 2.274 10 0 BEAEHN COc1cccc([C@H]2CNCCN2C(C)C)c1 ZINC000077369929 175295875 /nfs/dbraw/zinc/29/58/75/175295875.db2.gz GHQQCXCGGHUEOY-CQSZACIVSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccccc1CN[C@@H]1CCCC[C@H]1CO ZINC000152307491 175330361 /nfs/dbraw/zinc/33/03/61/175330361.db2.gz BQRYUQBQCZVWMN-UONOGXRCSA-N 0 3 249.354 2.336 10 0 BEAEHN COc1ccccc1Cc1nc(CN)cs1 ZINC000011850515 175334819 /nfs/dbraw/zinc/33/48/19/175334819.db2.gz PZKROMDFSOPVMP-UHFFFAOYSA-N 0 3 234.324 2.201 10 0 BEAEHN COc1ccccc1Cn1nc(C)c(CN)c1C ZINC000043457544 175335317 /nfs/dbraw/zinc/33/53/17/175335317.db2.gz CTJFIAPKUDNHQY-UHFFFAOYSA-N 0 3 245.326 2.016 10 0 BEAEHN COc1ccccc1OCc1occc1CN ZINC000052675188 175341614 /nfs/dbraw/zinc/34/16/14/175341614.db2.gz NGEIQRJBTIITRJ-UHFFFAOYSA-N 0 3 233.267 2.326 10 0 BEAEHN COc1ccccc1OCc1cccnc1CN ZINC000061657274 175341740 /nfs/dbraw/zinc/34/17/40/175341740.db2.gz DXCHNWGTEQGTRO-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1ccccc1[C@@](C)(N)c1cccnc1 ZINC000037761491 175349975 /nfs/dbraw/zinc/34/99/75/175349975.db2.gz DUMCCFOZTZVFKN-AWEZNQCLSA-N 0 3 228.295 2.312 10 0 BEAEHN COc1ccccc1[C@@](C)(N)c1cncc(F)c1 ZINC000049576014 175350091 /nfs/dbraw/zinc/35/00/91/175350091.db2.gz UQXBTTQSESSPEF-AWEZNQCLSA-N 0 3 246.285 2.452 10 0 BEAEHN COc1ccccc1[C@H](C)N[C@@H](C)[C@H](C)CO ZINC000131734573 175352330 /nfs/dbraw/zinc/35/23/30/175352330.db2.gz QSFCUCNEKRQPNN-WOPDTQHZSA-N 0 3 237.343 2.363 10 0 BEAEHN COc1ccccc1[C@H](N)CN(C)CC1CC1 ZINC000037925475 175353211 /nfs/dbraw/zinc/35/32/11/175353211.db2.gz MARDTPMCVSUXBR-CYBMUJFWSA-N 0 3 234.343 2.037 10 0 BEAEHN COc1ccsc1CN[C@H]1CCO[C@@H]1C ZINC000127312942 175379404 /nfs/dbraw/zinc/37/94/04/175379404.db2.gz OMYYZLYQEOHJMW-BDAKNGLRSA-N 0 3 227.329 2.024 10 0 BEAEHN COc1nc(-c2ccccc2)c(CN)s1 ZINC000045205523 175388780 /nfs/dbraw/zinc/38/87/80/175388780.db2.gz INSRMCIVOHDKKM-UHFFFAOYSA-N 0 3 220.297 2.277 10 0 BEAEHN C[C@@H](N)[C@H](Oc1ccccc1CO)c1ccco1 ZINC000104328091 175812679 /nfs/dbraw/zinc/81/26/79/175812679.db2.gz UANBXAVNFYDAHM-YGRLFVJLSA-N 0 3 247.294 2.239 10 0 BEAEHN C[C@@H](NC(=O)C1(N)CCCC1)c1cccs1 ZINC000037479494 175825282 /nfs/dbraw/zinc/82/52/82/175825282.db2.gz CBPGWBZBADTPNO-SECBINFHSA-N 0 3 238.356 2.197 10 0 BEAEHN C[C@@H]([C@@H](N)c1ccccc1)n1cccn1 ZINC000023069468 176010961 /nfs/dbraw/zinc/01/09/61/176010961.db2.gz QXCGMKHNKONLCC-CMPLNLGQSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@@H](c1ccccc1)N1CCO[C@H](CN(C)C)C1 ZINC000105925497 176022304 /nfs/dbraw/zinc/02/23/04/176022304.db2.gz QBTIMEJJLHPLGP-DZGCQCFKSA-N 0 3 248.370 2.010 10 0 BEAEHN C[C@@H]1CCCCN1CCNCc1cccnc1 ZINC000053343419 176072370 /nfs/dbraw/zinc/07/23/70/176072370.db2.gz FYYQZBXWYTYPOK-CYBMUJFWSA-N 0 3 233.359 2.046 10 0 BEAEHN C[C@@H]1CCCCN1Cc1ccc(CN)o1 ZINC000052378726 176072855 /nfs/dbraw/zinc/07/28/55/176072855.db2.gz DWMHOKLAUNIGJR-SNVBAGLBSA-N 0 3 208.305 2.113 10 0 BEAEHN C[C@@H]1CCCC[C@H]1CNCc1nccn1C ZINC000042862413 176085675 /nfs/dbraw/zinc/08/56/75/176085675.db2.gz DUKNSLJYPYHOGU-NEPJUHHUSA-N 0 3 221.348 2.336 10 0 BEAEHN C[C@@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2N)C1 ZINC000019389326 176103412 /nfs/dbraw/zinc/10/34/12/176103412.db2.gz HHOMQURPHKDTPM-KYOSRNDESA-N 0 3 246.354 2.179 10 0 BEAEHN C[C@@H]1CCCN1Cc1cc2c(cc1N)OCCO2 ZINC000037909967 176109231 /nfs/dbraw/zinc/10/92/31/176109231.db2.gz RRAACULEQBESMV-SNVBAGLBSA-N 0 3 248.326 2.024 10 0 BEAEHN C[C@@H]1CCC[C@@H](c2nccc(CN)n2)C1 ZINC000054791065 176126308 /nfs/dbraw/zinc/12/63/08/176126308.db2.gz MJOUPGHWWBAVRX-NXEZZACHSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@@H]1CCC[C@H](Oc2cc(CN)ccn2)C1 ZINC000034958117 176146338 /nfs/dbraw/zinc/14/63/38/176146338.db2.gz XZJVUWGPHXZAGW-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@](CO)(NCc2ccco2)C1 ZINC000053115453 176152065 /nfs/dbraw/zinc/15/20/65/176152065.db2.gz FKIFQNVIQXVQSR-YPMHNXCESA-N 0 3 223.316 2.310 10 0 BEAEHN C[C@@H]1CCN(c2ncc(CN)cc2Cl)C1 ZINC000051397180 176182370 /nfs/dbraw/zinc/18/23/70/176182370.db2.gz MVBFAJDVVXYLCC-MRVPVSSYSA-N 0 3 225.723 2.040 10 0 BEAEHN C[C@@H]1CCN[C@@H](C(=O)NCC2CCCCC2)C1 ZINC000126108569 176185915 /nfs/dbraw/zinc/18/59/15/176185915.db2.gz UZULDVZGGXHSNY-DGCLKSJQSA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@@H]1CCc2c1cc(F)cc2OC1CNC1 ZINC000039110383 176239537 /nfs/dbraw/zinc/23/95/37/176239537.db2.gz XWJBNFNGCQNNJL-MRVPVSSYSA-N 0 3 221.275 2.226 10 0 BEAEHN C[C@@H]1CCc2cccc(OCCN(C)C)c2N1 ZINC000019965360 176240407 /nfs/dbraw/zinc/24/04/07/176240407.db2.gz RUKBCJLFYDQIQG-LLVKDONJSA-N 0 3 234.343 2.374 10 0 BEAEHN C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CCOc2ccccc21 ZINC000358091776 176274981 /nfs/dbraw/zinc/27/49/81/176274981.db2.gz VWIROWHZCDCPTK-BNOWGMLFSA-N 0 3 246.354 2.050 10 0 BEAEHN C[C@@H]1CN(C[C@H](N)c2ccccc2)CC(C)(C)O1 ZINC000045685362 176299625 /nfs/dbraw/zinc/29/96/25/176299625.db2.gz JWXXAIBTBUPTOL-OCCSQVGLSA-N 0 3 248.370 2.186 10 0 BEAEHN C[C@@H](NC1=NC[C@@H](C)S1)c1ccncc1 ZINC000035694050 176324284 /nfs/dbraw/zinc/32/42/84/176324284.db2.gz XGTFXGOXGXSQPR-RKDXNWHRSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@@H]1CNC[C@H](c2ccc(F)c(F)c2)O1 ZINC000036673240 176329844 /nfs/dbraw/zinc/32/98/44/176329844.db2.gz FMLIRMVDZSOXDW-RDDDGLTNSA-N 0 3 213.227 2.014 10 0 BEAEHN C[C@H](Cc1ccco1)NC1=N[C@H](C)CS1 ZINC000042592124 176348967 /nfs/dbraw/zinc/34/89/67/176348967.db2.gz QFDFBZMYMHQPFV-RKDXNWHRSA-N 0 3 224.329 2.292 10 0 BEAEHN C[C@@H]1C[C@@H]1CN(C)C(=O)Nc1cccc(CN)c1 ZINC000104416661 176391910 /nfs/dbraw/zinc/39/19/10/176391910.db2.gz AIIJLIARUHMICC-ZYHUDNBSSA-N 0 3 247.342 2.265 10 0 BEAEHN C[C@@H]1Oc2c(cc(Br)cc2F)[C@@H]1N ZINC000043634308 176485697 /nfs/dbraw/zinc/48/56/97/176485697.db2.gz CJFMUEWOSUPUCM-RNHFCUEFSA-N 0 3 246.079 2.369 10 0 BEAEHN C[C@H](NCCc1ccsc1)c1cnn(C)c1 ZINC000044500428 176854998 /nfs/dbraw/zinc/85/49/98/176854998.db2.gz JGUCTSUNAPYMSE-JTQLQIEISA-N 0 3 235.356 2.375 10 0 BEAEHN C[C@@H](N[C@@H](C)c1ccco1)[C@H]1CCCO1 ZINC000248526387 176913837 /nfs/dbraw/zinc/91/38/37/176913837.db2.gz FIHOEBROSDWAIR-HOSYDEDBSA-N 0 3 209.289 2.498 10 0 BEAEHN C[C@H]1CCCC[C@H]1Oc1cc(CN)ccn1 ZINC000019398770 177090792 /nfs/dbraw/zinc/09/07/92/177090792.db2.gz JVKIQMWYPRUHMY-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCCN1Cc1nc2ccc(N)cc2[nH]1 ZINC000037909980 177110905 /nfs/dbraw/zinc/11/09/05/177110905.db2.gz UIRAMKWDYXREAV-VIFPVBQESA-N 0 3 230.315 2.129 10 0 BEAEHN C[C@H]1CCCN1[C@@H](CN)c1c(F)cccc1F ZINC000037910456 177111478 /nfs/dbraw/zinc/11/14/78/177111478.db2.gz XAKQWEOZCBGUIV-CABZTGNLSA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C)N1 ZINC000034651217 177112978 /nfs/dbraw/zinc/11/29/78/177112978.db2.gz YFGLFHHNUMDIQB-RVMXOQNASA-N 0 3 238.375 2.307 10 0 BEAEHN C[C@H]1CCC[C@@H](Oc2cc(CN)ccn2)C1 ZINC000034958120 177123653 /nfs/dbraw/zinc/12/36/53/177123653.db2.gz XZJVUWGPHXZAGW-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@@](CO)(Nc2ccncc2)C1 ZINC000053110371 177127662 /nfs/dbraw/zinc/12/76/62/177127662.db2.gz SYVICCFXOABPEZ-WCQYABFASA-N 0 3 220.316 2.435 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2)N1 ZINC000019479804 177128565 /nfs/dbraw/zinc/12/85/65/177128565.db2.gz ULIPTJZIMZIANI-GXTWGEPZSA-N 0 3 246.354 2.176 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)Nc2ccccc2)N1 ZINC000019518966 177129298 /nfs/dbraw/zinc/12/92/98/177129298.db2.gz KCCYVMHRXKHSFG-CMPLNLGQSA-N 0 3 218.300 2.156 10 0 BEAEHN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@H](C)N1 ZINC000034651215 177129413 /nfs/dbraw/zinc/12/94/13/177129413.db2.gz YFGLFHHNUMDIQB-WUHRBBMRSA-N 0 3 238.375 2.307 10 0 BEAEHN C[C@@H]1[C@@H](C)CCC[C@@H]1N1CCC(=O)CC1 ZINC000019436657 177134971 /nfs/dbraw/zinc/13/49/71/177134971.db2.gz PIMWGAJFYCFNOK-LOWVWBTDSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@H]1CCC[C@](CO)(Nc2ccncc2)C1 ZINC000053110377 177143926 /nfs/dbraw/zinc/14/39/26/177143926.db2.gz SYVICCFXOABPEZ-AAEUAGOBSA-N 0 3 220.316 2.435 10 0 BEAEHN C[C@H]1CCN(c2ncc(CN)cc2Cl)C1 ZINC000051397181 177171705 /nfs/dbraw/zinc/17/17/05/177171705.db2.gz MVBFAJDVVXYLCC-QMMMGPOBSA-N 0 3 225.723 2.040 10 0 BEAEHN C[C@H]1CN(CCCc2cccc(N)c2)C[C@H](C)O1 ZINC000041138745 177250274 /nfs/dbraw/zinc/25/02/74/177250274.db2.gz YOQDZPGHDAUSDT-STQMWFEESA-N 0 3 248.370 2.311 10 0 BEAEHN C[C@H](NC1=NC[C@H](C)S1)c1ccncc1 ZINC000035694048 177281302 /nfs/dbraw/zinc/28/13/02/177281302.db2.gz XGTFXGOXGXSQPR-IUCAKERBSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@H]1CNC[C@@H](c2ccc(Cl)cc2)O1 ZINC000032012625 177285234 /nfs/dbraw/zinc/28/52/34/177285234.db2.gz ZPPLDXZOMDZUSQ-KWQFWETISA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@H]1COC[C@@H](CCc2ccc(F)cc2)N1 ZINC000071525013 177299173 /nfs/dbraw/zinc/29/91/73/177299173.db2.gz YEOPIIHSWQHSTP-GXFFZTMASA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(c2ncc(CN)s2)C1 ZINC000054864073 177314894 /nfs/dbraw/zinc/31/48/94/177314894.db2.gz WPOFQDJSAAALOE-DTORHVGOSA-N 0 3 225.361 2.084 10 0 BEAEHN C[C@H]1C[C@@H](NCc2nncn2C)CC(C)(C)C1 ZINC000037989081 177333602 /nfs/dbraw/zinc/33/36/02/177333602.db2.gz QWFGQBSMIVXVDS-WDEREUQCSA-N 0 3 236.363 2.120 10 0 BEAEHN C[C@H]1N[C@@H](C)Cc2cc3c(cc21)OCCO3 ZINC000071491309 177389016 /nfs/dbraw/zinc/38/90/16/177389016.db2.gz BBAOLLLRPHRPGK-DTWKUNHWSA-N 0 3 219.284 2.053 10 0 BEAEHN C[C@H]1C[C@H](O)CN(Cc2ccc3c(c2)CCC3)C1 ZINC000401585442 226359999 /nfs/dbraw/zinc/35/99/99/226359999.db2.gz MQSUSITWOOHLEW-LRDDRELGSA-N 0 3 245.366 2.378 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000054075690 487683407 /nfs/dbraw/zinc/68/34/07/487683407.db2.gz XNYPQQPPALMRJS-BDAKNGLRSA-N 0 3 240.734 2.125 10 0 BEAEHN COc1ccc(CN[C@@H]2C[C@@H]2C)c(F)c1 ZINC000228597707 487685311 /nfs/dbraw/zinc/68/53/11/487685311.db2.gz RAQCCCVFACIBGL-QPUJVOFHSA-N 0 3 209.264 2.332 10 0 BEAEHN O[C@@H]1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000398777980 262769644 /nfs/dbraw/zinc/76/96/44/262769644.db2.gz MLHYCJDYUJZGRE-KCQAQPDRSA-N 0 3 249.329 2.419 10 0 BEAEHN CCC[C@@H](N)C(=O)N(CC)c1ccccc1C ZINC000223761228 487793225 /nfs/dbraw/zinc/79/32/25/487793225.db2.gz ZVRJAZMJDWGXCQ-GFCCVEGCSA-N 0 3 234.343 2.475 10 0 BEAEHN CC(C)(C)[C@H]1CN[C@]2(CCCSC2)OC1 ZINC000757152387 586429545 /nfs/dbraw/zinc/42/95/45/586429545.db2.gz RZXWORYEFQFPGW-CMPLNLGQSA-N 0 3 229.389 2.492 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2c1cccc2C ZINC000153951863 487843165 /nfs/dbraw/zinc/84/31/65/487843165.db2.gz QUYBRACNLQGEKC-IINYFYTJSA-N 0 3 246.354 2.258 10 0 BEAEHN C[C@](N)(O)c1ccc(Cl)c(Cl)c1 ZINC000307426191 487878052 /nfs/dbraw/zinc/87/80/52/487878052.db2.gz XGPNVMWBYMRSEZ-QMMMGPOBSA-N 0 3 206.072 2.117 10 0 BEAEHN CCC[C@@H](N)C(=O)NCc1cc(C)cc(C)c1 ZINC000083361186 487903947 /nfs/dbraw/zinc/90/39/47/487903947.db2.gz SZIBLJUJROCQMH-CYBMUJFWSA-N 0 3 234.343 2.047 10 0 BEAEHN CC[C@@H](C)c1nc2n(c1CN)CCCC2 ZINC000536956362 323967139 /nfs/dbraw/zinc/96/71/39/323967139.db2.gz ZYMYDYPXNOHBOB-SECBINFHSA-N 0 3 207.321 2.192 10 0 BEAEHN COc1ccccc1[C@H](C)NCC1CC(O)C1 ZINC000091424961 325686749 /nfs/dbraw/zinc/68/67/49/325686749.db2.gz LXTKFXBHRTZISR-UNXYVOJBSA-N 0 3 235.327 2.117 10 0 BEAEHN CCC[C@@H](C(=O)NCC1(C(C)C)CC1)N(C)C ZINC000152871371 325808903 /nfs/dbraw/zinc/80/89/03/325808903.db2.gz OGFNEUADIIJIFF-LBPRGKRZSA-N 0 3 240.391 2.269 10 0 BEAEHN CCc1ccc(CC)c(NC(=O)[C@@H](C)NC)c1 ZINC000567626852 326231859 /nfs/dbraw/zinc/23/18/59/326231859.db2.gz ZAPJEQIGINZWKU-SNVBAGLBSA-N 0 3 234.343 2.358 10 0 BEAEHN CCC[C@@H](C(=O)N1CCCC(C)(C)C1)N(C)C ZINC000157173548 326259821 /nfs/dbraw/zinc/25/98/21/326259821.db2.gz ORQAWBOUYGDALZ-LBPRGKRZSA-N 0 3 240.391 2.365 10 0 BEAEHN Cc1cnc([C@H](C)N[C@H]2CCN(C)[C@@H](C)C2)o1 ZINC000231740384 487472577 /nfs/dbraw/zinc/47/25/77/487472577.db2.gz CFEFUFSYDDKCEY-DLOVCJGASA-N 0 3 237.347 2.116 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1cccc(O)c1 ZINC000134056918 488164786 /nfs/dbraw/zinc/16/47/86/488164786.db2.gz MSNYANXPHBVKPX-OUJBWJOFSA-N 0 3 221.300 2.220 10 0 BEAEHN CNCc1ccccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249856119 487724809 /nfs/dbraw/zinc/72/48/09/487724809.db2.gz QOCCBWDZEBQEKT-CLLJXQQHSA-N 0 3 244.338 2.391 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)[C@@H](C)CO1 ZINC000403857808 488140634 /nfs/dbraw/zinc/14/06/34/488140634.db2.gz VGJUOIJGDHQAMF-REWJHTLYSA-N 0 3 241.375 2.037 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1cccc(O)c1 ZINC000134057322 488165375 /nfs/dbraw/zinc/16/53/75/488165375.db2.gz MSNYANXPHBVKPX-KWBADKCTSA-N 0 3 221.300 2.220 10 0 BEAEHN CC[C@]1(C)CCCN(Cc2cncnc2)C1 ZINC000127229864 490541682 /nfs/dbraw/zinc/54/16/82/490541682.db2.gz XSBTWDZYAJJIJC-CYBMUJFWSA-N 0 3 219.332 2.489 10 0 BEAEHN Cc1nccnc1[C@H](C)NCC[C@H]1CCCO1 ZINC000219095183 490553541 /nfs/dbraw/zinc/55/35/41/490553541.db2.gz JOIHNXMYBVBREQ-CMPLNLGQSA-N 0 3 235.331 2.005 10 0 BEAEHN C[C@@H]1CC[C@H](C)N(Cc2cncnc2)C1 ZINC000127772336 490557750 /nfs/dbraw/zinc/55/77/50/490557750.db2.gz QPTGELZUHGPEKY-MNOVXSKESA-N 0 3 205.305 2.097 10 0 BEAEHN CC(C)[C@H](C)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000128924516 490594838 /nfs/dbraw/zinc/59/48/38/490594838.db2.gz ZGTQTAXVUDQSQL-CYDGBPFRSA-N 0 3 240.391 2.408 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1cncs1 ZINC000222647310 490653563 /nfs/dbraw/zinc/65/35/63/490653563.db2.gz JGVRKPDWYGORGA-IVZWLZJFSA-N 0 3 226.345 2.097 10 0 BEAEHN CCCN1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000086929523 491115783 /nfs/dbraw/zinc/11/57/83/491115783.db2.gz GTNHXGFCZYSWGZ-STQMWFEESA-N 0 3 210.365 2.345 10 0 BEAEHN C[C@H](COCc1ccccc1)NC1CSC1 ZINC000307619288 491133851 /nfs/dbraw/zinc/13/38/51/491133851.db2.gz XAPMUUXYIITNAG-LLVKDONJSA-N 0 3 237.368 2.297 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1ccc(F)cn1 ZINC000133921819 491161039 /nfs/dbraw/zinc/16/10/39/491161039.db2.gz AMPFXKZQYQEAKI-DLOVCJGASA-N 0 3 238.306 2.175 10 0 BEAEHN CNCc1sc(C(=O)C2(C)CC2)nc1C ZINC000757125680 582499743 /nfs/dbraw/zinc/49/97/43/582499743.db2.gz SRSPEHXXDOJBRP-UHFFFAOYSA-N 0 3 224.329 2.154 10 0 BEAEHN FCC1(CF)CC2(C1)NC[C@H]1CCC[C@@H]1O2 ZINC000757139193 582519431 /nfs/dbraw/zinc/51/94/31/582519431.db2.gz FRRTVLDELLINNE-ZJUUUORDSA-N 0 3 231.286 2.190 10 0 BEAEHN CCC1(CC)CCN[C@]2(CCCOC2)O1 ZINC000757139750 582520390 /nfs/dbraw/zinc/52/03/90/582520390.db2.gz HFUWDFZXGLPKTR-GFCCVEGCSA-N 0 3 213.321 2.062 10 0 BEAEHN CC1(C)CC2(C1)NCC(C)(C)[C@]1(CCOC1)O2 ZINC000757147368 582531577 /nfs/dbraw/zinc/53/15/77/582531577.db2.gz SDHVODOLJBHXFO-CYBMUJFWSA-N 0 3 239.359 2.308 10 0 BEAEHN CC1(C)C[C@]2(CO1)NCC1(CCCC1)CO2 ZINC000757151084 582535332 /nfs/dbraw/zinc/53/53/32/582535332.db2.gz ZZSWTWHLNOUXTO-ZDUSSCGKSA-N 0 3 225.332 2.062 10 0 BEAEHN C[C@H]1CC(C)(C)O[C@]2(CCCSC2)N1 ZINC000757153449 582537700 /nfs/dbraw/zinc/53/77/00/582537700.db2.gz VVGWFAVEQMMFSK-ONGXEEELSA-N 0 3 215.362 2.387 10 0 BEAEHN C[C@@H]1O[C@@]2(CCCSC2)NCC1(C)C ZINC000757153516 582538125 /nfs/dbraw/zinc/53/81/25/582538125.db2.gz XEXVTGXWDPFJOA-GXSJLCMTSA-N 0 3 215.362 2.244 10 0 BEAEHN CCC[C@H]1CCN[C@]2(COC(C)(C)C2)O1 ZINC000757153861 582538077 /nfs/dbraw/zinc/53/80/77/582538077.db2.gz YDKKUUNLANPEIC-JQWIXIFHSA-N 0 3 213.321 2.060 10 0 BEAEHN C[C@@H]1Oc2ccc(C(F)(F)F)cc2[C@H]1N ZINC000757176069 582552199 /nfs/dbraw/zinc/55/21/99/582552199.db2.gz ZIMGLRZZTDNXFQ-CDUCUWFYSA-N 0 3 217.190 2.486 10 0 BEAEHN C[C@H]1CC[C@H](O)CN1Cc1ccsc1 ZINC000306939513 533767639 /nfs/dbraw/zinc/76/76/39/533767639.db2.gz GXOARPZSPXUDBP-ONGXEEELSA-N 0 3 211.330 2.093 10 0 BEAEHN CC[C@H](N[C@@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070732958 535932629 /nfs/dbraw/zinc/93/26/29/535932629.db2.gz GHSLGGDONJBTPK-AXFHLTTASA-N 0 3 240.372 2.487 10 0 BEAEHN Cc1nn(C(C)(C)C)c(Cl)c1CN ZINC000057354251 527575088 /nfs/dbraw/zinc/57/50/88/527575088.db2.gz UPGFSHHLGBBIKD-UHFFFAOYSA-N 0 3 201.701 2.059 10 0 BEAEHN CC(C)[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000177062054 534927082 /nfs/dbraw/zinc/92/70/82/534927082.db2.gz DGCQFKRURZBIBG-AGIUHOORSA-N 0 3 240.391 2.123 10 0 BEAEHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000214949309 535058059 /nfs/dbraw/zinc/05/80/59/535058059.db2.gz FCZRQKWTNYPHEB-XQQFMLRXSA-N 0 3 240.391 2.301 10 0 BEAEHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000214949260 535059896 /nfs/dbraw/zinc/05/98/96/535059896.db2.gz FCZRQKWTNYPHEB-AGIUHOORSA-N 0 3 240.391 2.301 10 0 BEAEHN CC(C)CN1CCN(c2ccccc2N)CC1 ZINC000020265470 535106466 /nfs/dbraw/zinc/10/64/66/535106466.db2.gz LEKJQEDQKVHWFO-UHFFFAOYSA-N 0 3 233.359 2.047 10 0 BEAEHN CCCCCc1cccc(N2CCNCC2)n1 ZINC000028244441 535141729 /nfs/dbraw/zinc/14/17/29/535141729.db2.gz DXBNUYWPOGAZRC-UHFFFAOYSA-N 0 3 233.359 2.224 10 0 BEAEHN CCN1CCC[C@@H](Nc2nc(C)nc(C)c2C)C1 ZINC000177816876 535540787 /nfs/dbraw/zinc/54/07/87/535540787.db2.gz TZHUPOIUUVMIRC-CYBMUJFWSA-N 0 3 248.374 2.298 10 0 BEAEHN CC[C@@H](C)N1CCN(c2ccc(C)cc2N)CC1 ZINC000055066366 535566313 /nfs/dbraw/zinc/56/63/13/535566313.db2.gz ZWMKGODIAOHPFA-CYBMUJFWSA-N 0 3 247.386 2.498 10 0 BEAEHN CCN1CCN(C[C@@H]2CCCC2(F)F)CC1 ZINC000336189747 535709842 /nfs/dbraw/zinc/70/98/42/535709842.db2.gz NUOOZHZWIUXWJS-NSHDSACASA-N 0 3 232.318 2.059 10 0 BEAEHN CCO[C@@H]1CCCN(c2cc(C)ccc2CN)C1 ZINC000051579561 535745037 /nfs/dbraw/zinc/74/50/37/535745037.db2.gz OSYIHIKKCZNNCL-CQSZACIVSA-N 0 3 248.370 2.459 10 0 BEAEHN COc1ccc(Cl)cc1N1CCNC[C@H]1C ZINC000041284372 536567874 /nfs/dbraw/zinc/56/78/74/536567874.db2.gz YQQBANQZCDFQNP-SECBINFHSA-N 0 3 240.734 2.147 10 0 BEAEHN Nc1c2ccccc2nc2c1CCC[C@H]2O ZINC000003776165 560189378 /nfs/dbraw/zinc/18/93/78/560189378.db2.gz BISIFJGUTDFVFR-LLVKDONJSA-N 0 3 214.268 2.187 10 0 in-vitro BEAEHN CCN1CCC2(CC1)NCCc1sccc12 ZINC000397203017 583099025 /nfs/dbraw/zinc/09/90/25/583099025.db2.gz XMEHLIWENVYNDO-UHFFFAOYSA-N 0 3 236.384 2.205 10 0 BEAEHN CCN(CN1CCCC1=O)C1CCCCC1 ZINC000113237856 588827349 /nfs/dbraw/zinc/82/73/49/588827349.db2.gz QUSCGYJZMYBDAC-UHFFFAOYSA-N 0 3 224.348 2.221 10 0 BEAEHN CC[C@@H](C)[C@H](O)c1nc(C)c(CNC)s1 ZINC000757132515 582506741 /nfs/dbraw/zinc/50/67/41/582506741.db2.gz TZCCWXWAQQAILO-XCBNKYQSSA-N 0 3 228.361 2.250 10 0 BEAEHN C1CC2(C1)CCNC1(CCSCC1)O2 ZINC000757144696 582525429 /nfs/dbraw/zinc/52/54/29/582525429.db2.gz GMWJDGVWMIPQJW-UHFFFAOYSA-N 0 3 213.346 2.142 10 0 BEAEHN CC(C)[C@H]1N[C@]2(CCSC2)OCC1(C)C ZINC000757144815 582525847 /nfs/dbraw/zinc/52/58/47/582525847.db2.gz HISMWOVUOUALRJ-ZYHUDNBSSA-N 0 3 229.389 2.490 10 0 BEAEHN CC(C)(C)[C@H]1CN[C@]2(COC(C)(C)C2)OC1 ZINC000757148860 582532874 /nfs/dbraw/zinc/53/28/74/582532874.db2.gz OBKPNQBZWLFAFL-GWCFXTLKSA-N 0 3 227.348 2.164 10 0 BEAEHN CC1(C)CNC2(CCC2)O[C@@]12CCCOC2 ZINC000757150076 582534110 /nfs/dbraw/zinc/53/41/10/582534110.db2.gz WTEFDWKRXGJAQW-GFCCVEGCSA-N 0 3 225.332 2.062 10 0 BEAEHN COC[C@H]1CCOC2(CCC(C)(C)CC2)N1 ZINC000757151318 582535282 /nfs/dbraw/zinc/53/52/82/582535282.db2.gz SKRUFPBUQRTNKR-LLVKDONJSA-N 0 3 227.348 2.308 10 0 BEAEHN CN(C)C[C@H](O)CSCc1ccc(Cl)o1 ZINC000757165048 582546369 /nfs/dbraw/zinc/54/63/69/582546369.db2.gz KKIUBHUMFUYSMH-QMMMGPOBSA-N 0 3 249.763 2.089 10 0 BEAEHN c1nc2c([nH]1)[C@H](CC1CCCC1)NCC2 ZINC000400498138 582579434 /nfs/dbraw/zinc/57/94/34/582579434.db2.gz MHYLSXSODRZYLN-NSHDSACASA-N 0 3 205.305 2.177 10 0 BEAEHN c1nc2c([nH]1)C1(CCCCCC1)NCC2 ZINC000238103518 582663921 /nfs/dbraw/zinc/66/39/21/582663921.db2.gz AHTMMWCVBLJEFA-UHFFFAOYSA-N 0 3 205.305 2.105 10 0 BEAEHN CCCN1CC[C@]2(C1)NCCc1sccc12 ZINC000397287724 583615158 /nfs/dbraw/zinc/61/51/58/583615158.db2.gz JYRNNNUZIPHPFA-CYBMUJFWSA-N 0 3 236.384 2.205 10 0 BEAEHN CC[C@@H]1N[C@H](c2ccc(OC)cc2)CCO1 ZINC000757139638 586427886 /nfs/dbraw/zinc/42/78/86/586427886.db2.gz HNTRMKYIJCEMHB-QWHCGFSZSA-N 0 3 221.300 2.482 10 0 BEAEHN [NH3+][C@@H](c1ccc([O-])c2ncccc12)C1CC1 ZINC000757144175 586428232 /nfs/dbraw/zinc/42/82/32/586428232.db2.gz HUXWHJJOHSZTAJ-GFCCVEGCSA-N 0 3 214.268 2.350 10 0 BEAEHN Cc1cc(CNC2CC(O)C2)ccc1Cl ZINC000757153783 586429281 /nfs/dbraw/zinc/42/92/81/586429281.db2.gz SEBRAWPBZZCSJO-UHFFFAOYSA-N 0 3 225.719 2.261 10 0 BEAEHN Cc1cc(CNC[C@@H]2CCC[C@H]2O)c(C)o1 ZINC000121059891 589492155 /nfs/dbraw/zinc/49/21/55/589492155.db2.gz XKTKPJNTZCVYIC-WCQYABFASA-N 0 3 223.316 2.147 10 0 BEAEHN COC(=O)/C(C)=C\CN1CCCCC[C@@H]1C ZINC000214563842 591634527 /nfs/dbraw/zinc/63/45/27/591634527.db2.gz AKRFPAJHWURNSC-KGTBHZDVSA-N 0 3 225.332 2.370 10 0 BEAEHN O[C@@H](CN[C@@H]1CCc2c1cccc2F)C1CC1 ZINC000214665332 591702008 /nfs/dbraw/zinc/70/20/08/591702008.db2.gz YHPZSABRPMSIBK-KGLIPLIRSA-N 0 3 235.302 2.174 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[S@@](C)=O)c(C)c1 ZINC000133838192 591862434 /nfs/dbraw/zinc/86/24/34/591862434.db2.gz GLWDOPSPEUQHLO-WBMJQRKESA-N 0 3 239.384 2.333 10 0 BEAEHN c1cc(CNCC[C@@H]2CCCCO2)co1 ZINC000134671131 591946372 /nfs/dbraw/zinc/94/63/72/591946372.db2.gz OQHBCBSSMGBASE-LBPRGKRZSA-N 0 3 209.289 2.328 10 0 BEAEHN CO[C@H]1CCC[C@H]1NCc1cnccc1C ZINC000135458215 592012326 /nfs/dbraw/zinc/01/23/26/592012326.db2.gz WXWDCELNKFPXSL-OLZOCXBDSA-N 0 3 220.316 2.047 10 0 BEAEHN c1ccc2c(c1)cncc2CN[C@H]1CCOC1 ZINC000135784158 592054869 /nfs/dbraw/zinc/05/48/69/592054869.db2.gz KIEOOMUBIKEJKM-ZDUSSCGKSA-N 0 3 228.295 2.113 10 0 BEAEHN Cc1ccccc1[C@@H](O)CN1CCCO[C@@H](C)C1 ZINC000217597839 592138142 /nfs/dbraw/zinc/13/81/42/592138142.db2.gz IYWRVDXLOVGRMR-ZFWWWQNUSA-N 0 3 249.354 2.139 10 0 BEAEHN CCCCN(CCCC)CN1CCOC1=S ZINC000124618839 634431039 /nfs/dbraw/zinc/43/10/39/634431039.db2.gz XYDKBQTWCSTCTC-UHFFFAOYSA-N 0 3 244.404 2.463 10 0 BEAEHN OCc1cnccc1N1CCc2ccccc2C1 ZINC000126408169 635814216 /nfs/dbraw/zinc/81/42/16/635814216.db2.gz GMEMQYCXDNZKTO-UHFFFAOYSA-N 0 3 240.306 2.137 10 0 BEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1cocn1 ZINC000397988147 634235732 /nfs/dbraw/zinc/23/57/32/634235732.db2.gz NIGJCTXXQZFVAJ-KBPBESRZSA-N 0 3 249.358 2.123 10 0 BEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cocn1 ZINC000397988152 634236619 /nfs/dbraw/zinc/23/66/19/634236619.db2.gz NIGJCTXXQZFVAJ-UONOGXRCSA-N 0 3 249.358 2.123 10 0 BEAEHN COc1ccc(CN[C@H](C)[C@@H](C)O)c(Cl)c1 ZINC000336700830 635221381 /nfs/dbraw/zinc/22/13/81/635221381.db2.gz NRPJVUWQSYWFNS-RKDXNWHRSA-N 0 3 243.734 2.208 10 0 BEAEHN CCc1cccnc1[C@H](C)N[C@H](C)[C@@H](C)O ZINC000336751688 635259292 /nfs/dbraw/zinc/25/92/92/635259292.db2.gz CKRQPWQIFQVZKF-OUAUKWLOSA-N 0 3 222.332 2.064 10 0 BEAEHN COC(OC)[C@@H](C)N[C@H]1CCc2ccccc21 ZINC000079585281 636444567 /nfs/dbraw/zinc/44/45/67/636444567.db2.gz JSQSUKBDHORZCA-MFKMUULPSA-N 0 3 235.327 2.271 10 0 BEAEHN Cc1cc(NCc2ccccc2F)nc(N)n1 ZINC000043532531 638516370 /nfs/dbraw/zinc/51/63/70/638516370.db2.gz GSLWJRMXBNLNPI-UHFFFAOYSA-N 0 3 232.262 2.118 10 0 BEAEHN c1nc(CN[C@H]2CCc3ccccc32)c[nH]1 ZINC000054763611 640406351 /nfs/dbraw/zinc/40/63/51/640406351.db2.gz ZIVATKRTNCKFGB-ZDUSSCGKSA-N 0 3 213.284 2.187 10 0 BEAEHN c1ncc(CN[C@H]2CCc3ccccc32)[nH]1 ZINC000054763611 640406354 /nfs/dbraw/zinc/40/63/54/640406354.db2.gz ZIVATKRTNCKFGB-ZDUSSCGKSA-N 0 3 213.284 2.187 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(N(C)C)cc1 ZINC000036335563 640501012 /nfs/dbraw/zinc/50/10/12/640501012.db2.gz LQZPTMSVGUMHBB-GXFFZTMASA-N 0 3 249.358 2.065 10 0 BEAEHN COC1CC(NCc2cc(F)c(F)c(F)c2)C1 ZINC000230689252 641087724 /nfs/dbraw/zinc/08/77/24/641087724.db2.gz JCHFEAAPTGHPON-UHFFFAOYSA-N 0 3 245.244 2.371 10 0 BEAEHN C[C@@H]1CN(CCCCCCCO)C[C@@H](C)O1 ZINC000173453525 641178876 /nfs/dbraw/zinc/17/88/76/641178876.db2.gz QXQMYCVGFMAVDQ-CHWSQXEVSA-N 0 3 229.364 2.038 10 0 BEAEHN c1cc2c(s1)[C@@H](c1ccncc1)NCC2 ZINC000084483335 641357973 /nfs/dbraw/zinc/35/79/73/641357973.db2.gz OJSFUBLAYKCIKY-LLVKDONJSA-N 0 3 216.309 2.378 10 0 BEAEHN Cc1cc(N(C)Cc2cccc(F)c2)nc(N)n1 ZINC000043532607 641565283 /nfs/dbraw/zinc/56/52/83/641565283.db2.gz OAFSEIXRDXVVDE-UHFFFAOYSA-N 0 3 246.289 2.143 10 0 BEAEHN Cc1cc(N[C@@H]2CCCC[C@H]2C)nc(N)n1 ZINC000043532289 641566488 /nfs/dbraw/zinc/56/64/88/641566488.db2.gz HDYAUZPFJDOXNF-PSASIEDQSA-N 0 3 220.320 2.358 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000049185473 641713341 /nfs/dbraw/zinc/71/33/41/641713341.db2.gz DBPUTHNUUAAJSS-VHSXEESVSA-N 0 3 240.372 2.361 10 0 BEAEHN CC[C@@H](C)c1noc([C@@]2(C)CCCN2)n1 ZINC000070617940 643052766 /nfs/dbraw/zinc/05/27/66/643052766.db2.gz QCBDIQKPEJLUCQ-LDYMZIIASA-N 0 3 209.293 2.182 10 0 BEAEHN c1ccc(C[C@@H]2CCO[C@@]3(CCSC3)N2)cc1 ZINC000757149082 643332229 /nfs/dbraw/zinc/33/22/29/643332229.db2.gz OOIYJYFOELXNAJ-UONOGXRCSA-N 0 3 249.379 2.441 10 0 BEAEHN CCCCOCCN1CCC[C@H](C(C)=O)C1 ZINC000082644570 643358748 /nfs/dbraw/zinc/35/87/48/643358748.db2.gz PTJGNCLFEBBCPY-ZDUSSCGKSA-N 0 3 227.348 2.104 10 0 BEAEHN CCc1cccnc1[C@H](C)N[C@@H](C)[C@H](C)O ZINC000336751686 643458551 /nfs/dbraw/zinc/45/85/51/643458551.db2.gz CKRQPWQIFQVZKF-DCAQKATOSA-N 0 3 222.332 2.064 10 0 BEAEHN Cc1ccc([C@@H](C)NCCOC2CC2)o1 ZINC000711734423 712321089 /nfs/dbraw/zinc/32/10/89/712321089.db2.gz WCUSHZLXFKIDBY-SNVBAGLBSA-N 0 3 209.289 2.418 10 0 BEAEHN CCCn1cc([C@@H](C)N[C@H](C)C(C)C)nn1 ZINC000715849116 712535858 /nfs/dbraw/zinc/53/58/58/712535858.db2.gz DOLLJINYTCZVIY-GHMZBOCLSA-N 0 3 224.352 2.383 10 0 BEAEHN Cc1coc(CN[C@@H](C)[C@@H]2CCCO2)c1 ZINC000718147190 712748457 /nfs/dbraw/zinc/74/84/57/712748457.db2.gz WIJUNRVXLJWZGO-JQWIXIFHSA-N 0 3 209.289 2.245 10 0 BEAEHN CCC[C@@H](C)CN[C@H](C)c1nnc2n1CCC2 ZINC000037148546 711480552 /nfs/dbraw/zinc/48/05/52/711480552.db2.gz MHYANPWCTJRESC-GHMZBOCLSA-N 0 3 236.363 2.311 10 0 BEAEHN C[C@@H](O)[C@H](C)NCc1ccsc1Cl ZINC000308282189 711520573 /nfs/dbraw/zinc/52/05/73/711520573.db2.gz XJYNBDJRXSTUFI-NKWVEPMBSA-N 0 3 219.737 2.260 10 0 BEAEHN COC[C@@H](NCc1ncc(C)cc1C)C1CC1 ZINC000724043112 711557391 /nfs/dbraw/zinc/55/73/91/711557391.db2.gz LBACLYLPOVJBBS-CQSZACIVSA-N 0 3 234.343 2.213 10 0 BEAEHN CC[C@H]1C[C@H](NCc2ncc(C)cc2C)CO1 ZINC000724098709 711560539 /nfs/dbraw/zinc/56/05/39/711560539.db2.gz UMAPZKOACBITCS-STQMWFEESA-N 0 3 234.343 2.356 10 0 BEAEHN COCc1ccc(CNC2CC(SC)C2)o1 ZINC000708250121 712184917 /nfs/dbraw/zinc/18/49/17/712184917.db2.gz UUOZIPZHNAIFAM-UHFFFAOYSA-N 0 3 241.356 2.410 10 0 BEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cn(C)cn1 ZINC000709988433 712238165 /nfs/dbraw/zinc/23/81/65/712238165.db2.gz YXRCNGDRVYFPQC-MXWKQRLJSA-N 0 3 207.321 2.259 10 0 BEAEHN C[C@H](NCc1nccn1C1CC1)C1CC1 ZINC000711783271 712329601 /nfs/dbraw/zinc/32/96/01/712329601.db2.gz MGBBAMSBADSEMW-VIFPVBQESA-N 0 3 205.305 2.106 10 0 BEAEHN CCCn1cc([C@H](C)N[C@H](C)C(C)C)nn1 ZINC000715849117 712536016 /nfs/dbraw/zinc/53/60/16/712536016.db2.gz DOLLJINYTCZVIY-MNOVXSKESA-N 0 3 224.352 2.383 10 0 BEAEHN CCC1CCC(N[C@@H](C)c2cn(C)nn2)CC1 ZINC000715879553 712539031 /nfs/dbraw/zinc/53/90/31/712539031.db2.gz TUWCITYILKYBLD-UNXYVOJBSA-N 0 3 236.363 2.435 10 0 BEAEHN C[C@H](NCC1CC2(CCC2)C1)c1cn(C)nn1 ZINC000715935957 712544227 /nfs/dbraw/zinc/54/42/27/712544227.db2.gz AWBMZRVNGLMFQF-JTQLQIEISA-N 0 3 234.347 2.046 10 0 BEAEHN CC(C)Oc1cncc(-c2ncc(CN)s2)c1 ZINC000718819472 712784255 /nfs/dbraw/zinc/78/42/55/712784255.db2.gz LOMGWAXQMDAUOK-UHFFFAOYSA-N 0 3 249.339 2.451 10 0 BEAEHN CCC(=O)CCCN1CCC[C@H](C(C)=O)C1 ZINC000722086453 712831209 /nfs/dbraw/zinc/83/12/09/712831209.db2.gz CRRLCLIQOJZUBJ-LBPRGKRZSA-N 0 3 225.332 2.047 10 0 BEAEHN Cc1conc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000720365528 712836350 /nfs/dbraw/zinc/83/63/50/712836350.db2.gz CCDSJSXBHQSCNH-OLZOCXBDSA-N 0 3 249.358 2.042 10 0 BEAEHN CC(C)C[C@@H](C)CN[C@@H](C)c1cn(C)nn1 ZINC000720584375 712854538 /nfs/dbraw/zinc/85/45/38/712854538.db2.gz RAWIRTGUIMJDDC-MNOVXSKESA-N 0 3 224.352 2.148 10 0 BEAEHN CCCC[C@@H](CC)N[C@@H](C)c1cn(C)nn1 ZINC000720584742 712854641 /nfs/dbraw/zinc/85/46/41/712854641.db2.gz UZBGKHPXAAPGIK-WDEREUQCSA-N 0 3 224.352 2.435 10 0 BEAEHN CC(C)C[C@H](C)CN[C@H](C)c1cn(C)nn1 ZINC000720584378 712854647 /nfs/dbraw/zinc/85/46/47/712854647.db2.gz RAWIRTGUIMJDDC-WDEREUQCSA-N 0 3 224.352 2.148 10 0 BEAEHN Cc1ccsc1CCNCc1nccn1C ZINC000131919507 1166108163 /nfs/dbraw/zinc/10/81/63/1166108163.db2.gz VJFLKBUZWNGJQQ-UHFFFAOYSA-N 0 3 235.356 2.122 10 0 BEAEHN CC[C@@](O)(CNCc1ccccc1)C(F)(F)F ZINC000201159963 970187314 /nfs/dbraw/zinc/18/73/14/970187314.db2.gz GAKTUBAEGMHVMW-LLVKDONJSA-N 0 3 247.260 2.480 10 0 BEAEHN CNCc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685959950 538907086 /nfs/dbraw/zinc/90/70/86/538907086.db2.gz WJMWHNDFLMTSRG-UHFFFAOYSA-N 0 3 240.521 2.023 10 0 BEAEHN N[C@@H]1c2ccccc2[C@@H]2CCCC[C@H]2[C@H]1O ZINC000309057662 349439120 /nfs/dbraw/zinc/43/91/20/349439120.db2.gz FJULULWKKOSKMQ-IGHBBLSQSA-N 0 3 217.312 2.335 10 0 BEAEHN Cc1cc(CNC[C@@H]2CCCO2)cc(C)c1O ZINC000020305118 178022129 /nfs/dbraw/zinc/02/21/29/178022129.db2.gz FPSFENJVDQVBPE-ZDUSSCGKSA-N 0 3 235.327 2.278 10 0 BEAEHN Cc1cc(CNC(C)C)nc(C[C@@H]2CCCO2)n1 ZINC000054831697 178017371 /nfs/dbraw/zinc/01/73/71/178017371.db2.gz KSDXHWQQDGQZLS-ZDUSSCGKSA-N 0 3 249.358 2.005 10 0 BEAEHN NCc1cc(Br)ccc1N1CCC1 ZINC000307488777 398171213 /nfs/dbraw/zinc/17/12/13/398171213.db2.gz DPQLNNAISJSPHL-UHFFFAOYSA-N 0 3 241.132 2.118 10 0 BEAEHN CCCN(CC(C)C)C(=O)[C@H](N)[C@H](C)CC ZINC000390630360 398177690 /nfs/dbraw/zinc/17/76/90/398177690.db2.gz IMPYYGJNJNNLEI-VXGBXAGGSA-N 0 3 228.380 2.254 10 0 BEAEHN CCn1cc([C@@H]2NCC23CCCC3)cn1 ZINC000380071459 398196598 /nfs/dbraw/zinc/19/65/98/398196598.db2.gz IXRGZTBYBLQQCC-NSHDSACASA-N 0 3 205.305 2.108 10 0 BEAEHN Cc1cnccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000296230566 398208386 /nfs/dbraw/zinc/20/83/86/398208386.db2.gz CGSSCYTUIQKHDR-YPMHNXCESA-N 0 3 220.316 2.047 10 0 BEAEHN Cc1cc(NC[C@@H]2CCCN2C)nc(C2CC2)n1 ZINC000116260329 178167648 /nfs/dbraw/zinc/16/76/48/178167648.db2.gz QXGZULOTCXDRCA-LBPRGKRZSA-N 0 3 246.358 2.169 10 0 BEAEHN Clc1ccc(NC2=NCCN2)cc1Cl ZINC000165685247 538936717 /nfs/dbraw/zinc/93/67/17/538936717.db2.gz OQCKOQDMQGHPPF-UHFFFAOYSA-N 0 3 230.098 2.365 10 0 BEAEHN Cc1cc([C@@H]2CNC[C@H](C)O2)ccc1F ZINC000071511628 178243328 /nfs/dbraw/zinc/24/33/28/178243328.db2.gz BCCVFHCMWPWVCT-CABZTGNLSA-N 0 3 209.264 2.184 10 0 BEAEHN CC(C)(N)C(=O)Nc1ccsc1Cl ZINC000306643561 361807120 /nfs/dbraw/zinc/80/71/20/361807120.db2.gz XAOPRHOJFAGRNS-UHFFFAOYSA-N 0 3 218.709 2.077 10 0 BEAEHN Cc1cc([C@H](N)c2cccnc2)c(C)o1 ZINC000043611436 178263342 /nfs/dbraw/zinc/26/33/42/178263342.db2.gz AOXZPTSTACUJGN-GFCCVEGCSA-N 0 3 202.257 2.340 10 0 BEAEHN CCC(CC)CNCc1c(C)nn(C)c1OC ZINC000106480073 168361160 /nfs/dbraw/zinc/36/11/60/168361160.db2.gz IYKGKPKLRNOEAP-UHFFFAOYSA-N 0 3 239.363 2.263 10 0 BEAEHN CCC(CC)N(C)C(=O)[C@H]1CCC[C@@H](C)N1 ZINC000036789506 168367479 /nfs/dbraw/zinc/36/74/79/168367479.db2.gz DXCPABMNKVSHIZ-ZYHUDNBSSA-N 0 3 226.364 2.164 10 0 BEAEHN Cc1ccc(-c2ncc(CN)cn2)cc1F ZINC000054855324 178338649 /nfs/dbraw/zinc/33/86/49/178338649.db2.gz BRFQAAAAGJUANS-UHFFFAOYSA-N 0 3 217.247 2.050 10 0 BEAEHN Cc1ccc(C(=O)CNC(C)C)cc1C ZINC000041611720 178372956 /nfs/dbraw/zinc/37/29/56/178372956.db2.gz OLUGIBPVFFVVBJ-UHFFFAOYSA-N 0 3 205.301 2.484 10 0 BEAEHN Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000082284062 178396860 /nfs/dbraw/zinc/39/68/60/178396860.db2.gz CXUDIIQPQSZCBI-AWEZNQCLSA-N 0 3 246.354 2.080 10 0 BEAEHN CN(Cc1ccco1)C[C@H]1CCC[C@@H](O)C1 ZINC000381653110 398268544 /nfs/dbraw/zinc/26/85/44/398268544.db2.gz SFCBXZMEKRXBPC-NWDGAFQWSA-N 0 3 223.316 2.263 10 0 BEAEHN CCCCN[C@H](C)c1nnc2n1CCCCC2 ZINC000035229570 538956451 /nfs/dbraw/zinc/95/64/51/538956451.db2.gz VFQWCIXMTFMJRN-LLVKDONJSA-N 0 3 236.363 2.455 10 0 BEAEHN C[C@H]1NCCO[C@H]1c1cccc(Cl)c1 ZINC000037405038 538962680 /nfs/dbraw/zinc/96/26/80/538962680.db2.gz BOFUZZAQNVYZFF-LDYMZIIASA-N 0 3 211.692 2.389 10 0 BEAEHN c1cc([C@H]2CNC[C@H](C3CC3)O2)cs1 ZINC000070890768 361865744 /nfs/dbraw/zinc/86/57/44/361865744.db2.gz SGJXJFZFHJVLKO-GHMZBOCLSA-N 0 3 209.314 2.188 10 0 BEAEHN c1cc([C@@H]2CNC[C@H](C3CC3)O2)cs1 ZINC000070890763 361866060 /nfs/dbraw/zinc/86/60/60/361866060.db2.gz SGJXJFZFHJVLKO-MNOVXSKESA-N 0 3 209.314 2.188 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1ccc(C)c(C)c1 ZINC000003678319 361869915 /nfs/dbraw/zinc/86/99/15/361869915.db2.gz OVMKFFQECJQOSD-GFCCVEGCSA-N 0 3 221.300 2.256 10 0 BEAEHN N[C@@H](CCC(F)(F)F)c1ccccn1 ZINC000070917650 361884795 /nfs/dbraw/zinc/88/47/95/361884795.db2.gz IRBRCLYCGMBJRH-ZETCQYMHSA-N 0 3 204.195 2.424 10 0 BEAEHN CCC(CC)NCc1cn2c(n1)CCCC2 ZINC000309689778 168389262 /nfs/dbraw/zinc/38/92/62/168389262.db2.gz ITYHVAPOLZTCIA-UHFFFAOYSA-N 0 3 221.348 2.498 10 0 BEAEHN CCC(C)(CC)C(=O)N1CCN2CCC[C@H]2C1 ZINC000185519250 538970979 /nfs/dbraw/zinc/97/09/79/538970979.db2.gz KDIKBPJUVRWVTK-LBPRGKRZSA-N 0 3 238.375 2.119 10 0 BEAEHN CC(=O)Nc1ccccc1CN[C@@H]1C[C@H]1C ZINC000085573335 398289438 /nfs/dbraw/zinc/28/94/38/398289438.db2.gz SVKZVZOFHPPKCU-NOZJJQNGSA-N 0 3 218.300 2.143 10 0 BEAEHN C[C@H](NCc1ccccn1)[C@H]1CCCCO1 ZINC000381448989 539000658 /nfs/dbraw/zinc/00/06/58/539000658.db2.gz GKHJAPGOTHKFSG-WCQYABFASA-N 0 3 220.316 2.129 10 0 BEAEHN CCOC(=O)N1CC[C@H](NC)c2ccccc21 ZINC000071324719 361980562 /nfs/dbraw/zinc/98/05/62/361980562.db2.gz NBYVONWXUNAIRN-NSHDSACASA-N 0 3 234.299 2.314 10 0 BEAEHN CC[C@H](N)c1nc([C@H]2CCOC2)cs1 ZINC000164974241 342861460 /nfs/dbraw/zinc/86/14/60/342861460.db2.gz GTKVQKUERPQVHH-YUMQZZPRSA-N 0 3 212.318 2.057 10 0 BEAEHN C[C@H](CN(C)C)Nc1nc(Cl)cs1 ZINC000165081041 342873956 /nfs/dbraw/zinc/87/39/56/342873956.db2.gz ZRGDESQADPCORG-ZCFIWIBFSA-N 0 3 219.741 2.159 10 0 BEAEHN N[C@H](CC1OCCO1)c1sccc1Cl ZINC000229963715 342859351 /nfs/dbraw/zinc/85/93/51/342859351.db2.gz LRSYBCGXKFEMLI-SSDOTTSWSA-N 0 3 233.720 2.164 10 0 BEAEHN CC[C@@H]1CS[C@]2(CCCC[C@@H]2OC)N1 ZINC000233940516 342908231 /nfs/dbraw/zinc/90/82/31/342908231.db2.gz NHZRZSIMVRSLDK-VWYCJHECSA-N 0 3 215.362 2.387 10 0 BEAEHN CC[C@@H]1CS[C@]2(CCS[C@@H]2C)N1 ZINC000233940591 342908309 /nfs/dbraw/zinc/90/83/09/342908309.db2.gz VGVCEIYONFTCIS-HLTSFMKQSA-N 0 3 203.376 2.323 10 0 BEAEHN c1ccc2c(c1)OCC[C@@H]2N[C@H]1CCCOC1 ZINC000103956740 398323271 /nfs/dbraw/zinc/32/32/71/398323271.db2.gz BVZOEXXOFAHLHQ-AAEUAGOBSA-N 0 3 233.311 2.279 10 0 BEAEHN CCn1c(C)nnc1CN[C@H]1CCCC[C@@H]1C ZINC000162351540 349652714 /nfs/dbraw/zinc/65/27/14/349652714.db2.gz QLVZRKKPHBFAPF-JQWIXIFHSA-N 0 3 236.363 2.275 10 0 BEAEHN Cn1ccnc1CNCCC1CCCC1 ZINC000037741307 342949033 /nfs/dbraw/zinc/94/90/33/342949033.db2.gz FOBAYYZRUWMSIJ-UHFFFAOYSA-N 0 3 207.321 2.090 10 0 BEAEHN COC(=O)C[C@H](N)c1ccc2ccccc2c1 ZINC000020577592 342991672 /nfs/dbraw/zinc/99/16/72/342991672.db2.gz JFWNNOBLJXSMPG-ZDUSSCGKSA-N 0 3 229.279 2.403 10 0 BEAEHN CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000041289813 342995870 /nfs/dbraw/zinc/99/58/70/342995870.db2.gz YJYKVNGIWFBNNB-JTQLQIEISA-N 0 3 244.132 2.044 10 0 BEAEHN N[C@H](CO)c1cccc(-c2ccccc2)c1 ZINC000072198214 343069132 /nfs/dbraw/zinc/06/91/32/343069132.db2.gz RNPSFAAPHANRET-CQSZACIVSA-N 0 3 213.280 2.346 10 0 BEAEHN CCCc1ccc2ncc(N)c(N)c2c1 ZINC000584881909 343079822 /nfs/dbraw/zinc/07/98/22/343079822.db2.gz HEEWKZONYIQPDM-UHFFFAOYSA-N 0 3 201.273 2.182 10 0 BEAEHN COc1ccc2c(c1)O[C@@H](C1CC1)C[C@H]2N ZINC000130806352 343181944 /nfs/dbraw/zinc/18/19/44/343181944.db2.gz LIAKNAIBMWJCBB-VXGBXAGGSA-N 0 3 219.284 2.256 10 0 BEAEHN CC(C)c1ccc([C@H](C)N[C@H](C)C(N)=O)cc1 ZINC000035138483 343286492 /nfs/dbraw/zinc/28/64/92/343286492.db2.gz SMQLVNPHQHVTMH-WDEREUQCSA-N 0 3 234.343 2.334 10 0 BEAEHN N[C@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000036949516 343328380 /nfs/dbraw/zinc/32/83/80/343328380.db2.gz DRGRSSFCCDTWRF-CQSZACIVSA-N 0 3 213.280 2.346 10 0 BEAEHN C[C@@H]1OCC[C@@H]1c1ccc2c(c1)CNC2 ZINC000147807904 343380238 /nfs/dbraw/zinc/38/02/38/343380238.db2.gz BQCBSDHTCZGICW-ZANVPECISA-N 0 3 203.285 2.182 10 0 BEAEHN CCOc1cccc2c1CN(CC)CC2 ZINC000039099326 343382978 /nfs/dbraw/zinc/38/29/78/343382978.db2.gz ILRHKOFQQFIGBK-UHFFFAOYSA-N 0 3 205.301 2.463 10 0 BEAEHN CCOc1ccc(Cl)cc1CNCCCO ZINC000040537873 343406842 /nfs/dbraw/zinc/40/68/42/343406842.db2.gz VALCQTQITHYVLU-UHFFFAOYSA-N 0 3 243.734 2.211 10 0 BEAEHN O=C(C1CC1(Cl)Cl)N1CC2CCC1C2 ZINC000249768284 136373684 /nfs/dbraw/zinc/37/36/84/136373684.db2.gz RBXKTGXRJJYASH-BIIVOSGPSA-N 0 3 234.126 2.191 10 0 BEAEHN CN1CCCCC[C@@H]1c1ccc(N)nc1 ZINC000616622848 343524393 /nfs/dbraw/zinc/52/43/93/343524393.db2.gz INUUQJVBXMEVTB-LLVKDONJSA-N 0 3 205.305 2.041 10 0 BEAEHN CN1CCC[C@@H]1c1cnnc2ccccc21 ZINC000616634560 343527981 /nfs/dbraw/zinc/52/79/81/343527981.db2.gz TVOXDVGSDZENGX-CYBMUJFWSA-N 0 3 213.284 2.397 10 0 BEAEHN CC(C)N1CCCOC[C@H]1c1ccncc1 ZINC000616644424 343530630 /nfs/dbraw/zinc/53/06/30/343530630.db2.gz DAOOKDDOGQKZLT-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN N[C@H](c1cn[nH]c1)c1ccc(Cl)c(F)c1 ZINC000203875179 343547445 /nfs/dbraw/zinc/54/74/45/343547445.db2.gz VTFYYBIAJQLYJM-JTQLQIEISA-N 0 3 225.654 2.250 10 0 BEAEHN CCC(CC)NCc1nccn1C1CC1 ZINC000711788992 537782429 /nfs/dbraw/zinc/78/24/29/537782429.db2.gz TWSMWXIOUVQOGB-UHFFFAOYSA-N 0 3 207.321 2.496 10 0 BEAEHN CC[C@@H](N[C@H]1CCCNC1=O)c1ccccc1 ZINC000050394466 343614471 /nfs/dbraw/zinc/61/44/71/343614471.db2.gz WLEPUDXUIVQSMC-OLZOCXBDSA-N 0 3 232.327 2.006 10 0 BEAEHN CC[C@@H]1C[C@@]2(CO1)NCCc1ccsc12 ZINC000712522521 537789398 /nfs/dbraw/zinc/78/93/98/537789398.db2.gz KBFUDUANZCTCLQ-PWSUYJOCSA-N 0 3 223.341 2.288 10 0 BEAEHN FC(F)C(F)(F)CNc1ccncc1 ZINC000230714142 346955453 /nfs/dbraw/zinc/95/54/53/346955453.db2.gz WUUJSHBNLLLQBX-UHFFFAOYSA-N 0 3 208.158 2.394 10 0 BEAEHN Clc1ccc(COC2CNC2)cc1Cl ZINC000062809892 343745287 /nfs/dbraw/zinc/74/52/87/343745287.db2.gz CPZNGXLCJCDKLQ-UHFFFAOYSA-N 0 3 232.110 2.482 10 0 BEAEHN N[C@@H](CO)c1ccccc1SC(F)(F)F ZINC000072198815 343775397 /nfs/dbraw/zinc/77/53/97/343775397.db2.gz CSUVSDMPCFWKOV-ZETCQYMHSA-N 0 3 237.246 2.291 10 0 BEAEHN NCc1cc(-c2ccoc2)nc(C2CC2)n1 ZINC000409437399 343842874 /nfs/dbraw/zinc/84/28/74/343842874.db2.gz GDTFUXYNZYQLOS-UHFFFAOYSA-N 0 3 215.256 2.073 10 0 BEAEHN C[C@H](N)c1csc(C2CCOCC2)n1 ZINC000070842535 343956412 /nfs/dbraw/zinc/95/64/12/343956412.db2.gz UINLNYZPEZPSRC-ZETCQYMHSA-N 0 3 212.318 2.057 10 0 BEAEHN CCN1CCC[C@@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641303415 362352808 /nfs/dbraw/zinc/35/28/08/362352808.db2.gz DEELFGBBVXBVHF-GFCCVEGCSA-N 0 3 246.358 2.250 10 0 BEAEHN Cc1ccc2c(N3CCNCC3)ccc(F)c2n1 ZINC000166866465 344096278 /nfs/dbraw/zinc/09/62/78/344096278.db2.gz XHPDNHCLNIBYCA-UHFFFAOYSA-N 0 3 245.301 2.092 10 0 BEAEHN NCc1cnc(Sc2cccs2)nc1 ZINC000126780311 344099680 /nfs/dbraw/zinc/09/96/80/344099680.db2.gz BXDMRIZFRRKPOL-UHFFFAOYSA-N 0 3 223.326 2.148 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000634736861 344133171 /nfs/dbraw/zinc/13/31/71/344133171.db2.gz CBYAVPNPVRAOAN-VHSXEESVSA-N 0 3 248.317 2.008 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000634737059 344135602 /nfs/dbraw/zinc/13/56/02/344135602.db2.gz HXTSHYGUYYYDPE-SNVBAGLBSA-N 0 3 248.317 2.008 10 0 BEAEHN COC(=O)c1ccc(CN[C@H]2C[C@H]2C)cc1F ZINC000234601388 344155812 /nfs/dbraw/zinc/15/58/12/344155812.db2.gz GFHGRXMDZWFABT-PELKAZGASA-N 0 3 237.274 2.110 10 0 BEAEHN Cc1ccc(NC(=O)C(C)C)c(C)c1CN ZINC000616574264 344186780 /nfs/dbraw/zinc/18/67/80/344186780.db2.gz YRYMHKLVZZEFFB-UHFFFAOYSA-N 0 3 220.316 2.357 10 0 BEAEHN CC[C@H](O)CCN(C)Cc1ccccc1 ZINC000219154140 344266748 /nfs/dbraw/zinc/26/67/48/344266748.db2.gz YWKPWLUQHKQVEA-ZDUSSCGKSA-N 0 3 207.317 2.279 10 0 BEAEHN Cc1ccccc1NC(=O)O[C@H]1CCN(C)C1 ZINC000002010160 362374137 /nfs/dbraw/zinc/37/41/37/362374137.db2.gz DTAAMVZDTXCCDV-NSHDSACASA-N 0 3 234.299 2.248 10 0 BEAEHN NC[C@@H](F)Cc1nc2ccccc2s1 ZINC000158057506 344331074 /nfs/dbraw/zinc/33/10/74/344331074.db2.gz IQGXZCZRZZLDGM-ZETCQYMHSA-N 0 3 210.277 2.136 10 0 BEAEHN C[C@](F)(CN)c1ccc(F)c(F)c1F ZINC000158246902 344574667 /nfs/dbraw/zinc/57/46/67/344574667.db2.gz PMQDCQJWCYABAC-VIFPVBQESA-N 0 3 207.170 2.247 10 0 BEAEHN C[C@@H]1C[C@@H]1N[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000330268351 537847929 /nfs/dbraw/zinc/84/79/29/537847929.db2.gz RCVJWXRCFCWNFE-ADEWGFFLSA-N 0 3 234.347 2.424 10 0 BEAEHN Cn1ccnc1CNC1(C)CCCCC1 ZINC000045045700 344556585 /nfs/dbraw/zinc/55/65/85/344556585.db2.gz CMMTUFLZAVLTCI-UHFFFAOYSA-N 0 3 207.321 2.233 10 0 BEAEHN CC1CCN(CC(=O)C2CCCC2)CC1 ZINC000158163887 344558262 /nfs/dbraw/zinc/55/82/62/344558262.db2.gz VJIKCZQNGIRLGP-UHFFFAOYSA-N 0 3 209.333 2.478 10 0 BEAEHN C[C@](F)(CN)Cc1ccc(F)c(F)c1 ZINC000158221738 344569712 /nfs/dbraw/zinc/56/97/12/344569712.db2.gz RIFAGNNPKWAHNF-SNVBAGLBSA-N 0 3 203.207 2.194 10 0 BEAEHN CC[C@](F)(CN)c1ccc(F)c(F)c1 ZINC000158355724 344614008 /nfs/dbraw/zinc/61/40/08/344614008.db2.gz WIUMNFDZHQRDEA-JTQLQIEISA-N 0 3 203.207 2.498 10 0 BEAEHN CN(C)c1cc(OC(F)(F)F)ccc1CN ZINC000396120570 344608503 /nfs/dbraw/zinc/60/85/03/344608503.db2.gz NPQMAEMIXHRPPV-UHFFFAOYSA-N 0 3 234.221 2.110 10 0 BEAEHN Cc1ccc(N(C)C(=O)[C@@H]2NCCC[C@H]2C)cc1 ZINC000051813217 178694962 /nfs/dbraw/zinc/69/49/62/178694962.db2.gz JQSOMUKPDVZPBV-TZMCWYRMSA-N 0 3 246.354 2.346 10 0 BEAEHN C[C@@H]1CCS[C@@H]([C@@H]2CCSC2)N1 ZINC000224675332 344965994 /nfs/dbraw/zinc/96/59/94/344965994.db2.gz LQLIJEPBHNYBSU-HLTSFMKQSA-N 0 3 203.376 2.181 10 0 BEAEHN N[C@@H](CCO)c1c(F)ccc(F)c1Cl ZINC000044233472 344989048 /nfs/dbraw/zinc/98/90/48/344989048.db2.gz AXYNUPIGLYEZCJ-ZETCQYMHSA-N 0 3 221.634 2.000 10 0 BEAEHN Cc1ccc(Cl)c([C@@H](N)CCO)c1F ZINC000044233460 344989210 /nfs/dbraw/zinc/98/92/10/344989210.db2.gz DRDMBMKKHYQRNE-QMMMGPOBSA-N 0 3 217.671 2.170 10 0 BEAEHN Brc1ccc([C@@H]2CCN2)o1 ZINC000044257473 344996587 /nfs/dbraw/zinc/99/65/87/344996587.db2.gz PGFVFTGJTUZWMS-YFKPBYRVSA-N 0 3 202.051 2.077 10 0 BEAEHN CC[C@@H](N)c1coc(Br)c1 ZINC000238286243 345009198 /nfs/dbraw/zinc/00/91/98/345009198.db2.gz HKFIFIBCVZAWTA-ZCFIWIBFSA-N 0 3 204.067 2.452 10 0 BEAEHN N[C@@H](CF)c1ccc([O-])c(Br)c1 ZINC000238574334 345078967 /nfs/dbraw/zinc/07/89/67/345078967.db2.gz OFRAKNLIUVABPQ-ZETCQYMHSA-N 0 3 234.068 2.124 10 0 BEAEHN [NH3+][C@@H](CF)c1ccc([O-])c(Br)c1 ZINC000238574334 345078970 /nfs/dbraw/zinc/07/89/70/345078970.db2.gz OFRAKNLIUVABPQ-ZETCQYMHSA-N 0 3 234.068 2.124 10 0 BEAEHN NCc1cnc(Cl)cc1OC(F)(F)F ZINC000238566755 345079516 /nfs/dbraw/zinc/07/95/16/345079516.db2.gz LXUIYPFYJSKCSK-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN NCc1cnc(OC(F)(F)F)cc1Cl ZINC000238570245 345080592 /nfs/dbraw/zinc/08/05/92/345080592.db2.gz ZIPZXJKHSMZHOO-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1nn(C)c2ccccc12 ZINC000082432803 345059233 /nfs/dbraw/zinc/05/92/33/345059233.db2.gz KZDFSZQRCXODTG-KOLCDFICSA-N 0 3 215.300 2.071 10 0 BEAEHN C[C@H](N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000011958145 345089626 /nfs/dbraw/zinc/08/96/26/345089626.db2.gz ZHJOPQTZMDVGSF-YFKPBYRVSA-N 0 3 233.098 2.279 10 0 BEAEHN NCc1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238656056 345102620 /nfs/dbraw/zinc/10/26/20/345102620.db2.gz RDSUICNTNDAHFV-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN OCCN[C@H]1CCCc2sc(Cl)cc21 ZINC000132258223 345324037 /nfs/dbraw/zinc/32/40/37/345324037.db2.gz IQJVLLLWNLNZOB-QMMMGPOBSA-N 0 3 231.748 2.361 10 0 BEAEHN CC1CCC(NC(=O)[C@@]2(C)CCCCN2)CC1 ZINC000136136770 345480366 /nfs/dbraw/zinc/48/03/66/345480366.db2.gz RCIPVUIXGYMZHN-ORHYLEIMSA-N 0 3 238.375 2.214 10 0 BEAEHN COc1cc(F)cc(CN[C@H]2CCO[C@@H]2C)c1 ZINC000090972462 345577764 /nfs/dbraw/zinc/57/77/64/345577764.db2.gz NXJDRRJQMISCNV-RNCFNFMXSA-N 0 3 239.290 2.101 10 0 BEAEHN CN(C/C=C\c1ccccc1)CCCCO ZINC000215717373 345742703 /nfs/dbraw/zinc/74/27/03/345742703.db2.gz YZPOVOSUDQLAKX-YFHOEESVSA-N 0 3 219.328 2.404 10 0 BEAEHN CN1CCCC[C@](CCO)(c2cccc(O)c2)C1 ZINC000114058040 345755988 /nfs/dbraw/zinc/75/59/88/345755988.db2.gz PRKJAKUJSREAEX-OAHLLOKOSA-N 0 3 249.354 2.128 10 0 BEAEHN CCOC(=O)N1CC[C@H](N)c2ccccc21 ZINC000070601218 345789994 /nfs/dbraw/zinc/78/99/94/345789994.db2.gz UKBDZSBYVQNGRC-JTQLQIEISA-N 0 3 220.272 2.053 10 0 BEAEHN C[C@H]1CNC[C@@H](c2csc(Cl)c2)O1 ZINC000235710741 345792617 /nfs/dbraw/zinc/79/26/17/345792617.db2.gz DNKSKKOOUVBFHE-XPUUQOCRSA-N 0 3 217.721 2.451 10 0 BEAEHN COc1ccccc1C[C@@H]1NCCC(=O)C1(C)C ZINC000034397837 345824596 /nfs/dbraw/zinc/82/45/96/345824596.db2.gz SFRLBDFHRVVIRX-ZDUSSCGKSA-N 0 3 247.338 2.195 10 0 BEAEHN Fc1cccc2c1CCN[C@H]2CN1CCCC1 ZINC000034426626 345832830 /nfs/dbraw/zinc/83/28/30/345832830.db2.gz MGZOKHUYHHZDPH-AWEZNQCLSA-N 0 3 234.318 2.108 10 0 BEAEHN C#CCN[C@@H]1CCc2cc3sc(N)nc3cc21 ZINC000034456273 345834006 /nfs/dbraw/zinc/83/40/06/345834006.db2.gz BASKSUQYNYUZRG-SNVBAGLBSA-N 0 3 243.335 2.089 10 0 BEAEHN COc1ccc(C[C@@H]2C=CCCN2C)cc1 ZINC000143415300 345865490 /nfs/dbraw/zinc/86/54/90/345865490.db2.gz LIHKEIFCASSTAF-ZDUSSCGKSA-N 0 3 217.312 2.498 10 0 BEAEHN COCC[C@]1(C)NCCc2sccc21 ZINC000307415910 537922054 /nfs/dbraw/zinc/92/20/54/537922054.db2.gz NEIVAUCVNFQQSD-NSHDSACASA-N 0 3 211.330 2.146 10 0 BEAEHN CCCCNc1cc(N)nc(C2CC2)n1 ZINC000087908992 345940257 /nfs/dbraw/zinc/94/02/57/345940257.db2.gz HDOKKRIQIGKMJZ-UHFFFAOYSA-N 0 3 206.293 2.148 10 0 BEAEHN CCCN(CCC)c1cc(NC)nc(C)n1 ZINC000087806264 345941886 /nfs/dbraw/zinc/94/18/86/345941886.db2.gz ZOPAVUHHFULMAV-UHFFFAOYSA-N 0 3 222.336 2.453 10 0 BEAEHN Cc1ccc(Br)c(F)c1CN ZINC000075915304 537931895 /nfs/dbraw/zinc/93/18/95/537931895.db2.gz KTHQWKOWFZHOTF-UHFFFAOYSA-N 0 3 218.069 2.355 10 0 BEAEHN C[C@@H](c1ccco1)N1CCC[C@H](CO)C1 ZINC000095089077 346024756 /nfs/dbraw/zinc/02/47/56/346024756.db2.gz NCWYDXBZXZRAQK-QWRGUYRKSA-N 0 3 209.289 2.045 10 0 BEAEHN Cc1ccc(-c2ccc(C=O)s2)c(CN)n1 ZINC000669372658 537950585 /nfs/dbraw/zinc/95/05/85/537950585.db2.gz VRCOTLUYCLUVBW-UHFFFAOYSA-N 0 3 232.308 2.390 10 0 BEAEHN Cc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1C ZINC000170863436 179011007 /nfs/dbraw/zinc/01/10/07/179011007.db2.gz ICUPZLIGQHSJOW-ZDUSSCGKSA-N 0 3 246.354 2.080 10 0 BEAEHN CC(C)C1CCC(n2cc(CN)nn2)CC1 ZINC000675051802 537962191 /nfs/dbraw/zinc/96/21/91/537962191.db2.gz UMTLHDJJGLVRAO-UHFFFAOYSA-N 0 3 222.336 2.124 10 0 BEAEHN Cc1cccc(CNC(=O)[C@@H]2CCC[C@H](C)N2)c1 ZINC000048266311 179086839 /nfs/dbraw/zinc/08/68/39/179086839.db2.gz JZKZVONTOBMWNN-JSGCOSHPSA-N 0 3 246.354 2.142 10 0 BEAEHN Cc1[n-]n(C)c(=O)c1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000675054934 537980896 /nfs/dbraw/zinc/98/08/96/537980896.db2.gz WVEVPCLZYUTHEE-MRVPVSSYSA-N 0 3 231.299 2.121 10 0 BEAEHN c1nc([C@@H]2CCCCN2C2CCCC2)n[nH]1 ZINC000182698992 347102978 /nfs/dbraw/zinc/10/29/78/347102978.db2.gz BXBIMPWQTIXRKE-NSHDSACASA-N 0 3 220.320 2.274 10 0 BEAEHN c1nnc([C@@H]2CCCCN2C2CCCC2)[nH]1 ZINC000182698992 347102982 /nfs/dbraw/zinc/10/29/82/347102982.db2.gz BXBIMPWQTIXRKE-NSHDSACASA-N 0 3 220.320 2.274 10 0 BEAEHN COC1CCC2(CC1)NCC[C@@H](C)S2 ZINC000164327757 346601785 /nfs/dbraw/zinc/60/17/85/346601785.db2.gz QOHBTBUNSZFEDQ-KPPDAEKUSA-N 0 3 215.362 2.387 10 0 BEAEHN C[C@H](NCc1n[nH]c2ccccc21)[C@@H]1CCCO1 ZINC000589641335 346721710 /nfs/dbraw/zinc/72/17/10/346721710.db2.gz NKSYFBKULBVPBK-HZMBPMFUSA-N 0 3 245.326 2.220 10 0 BEAEHN C[C@H](NCc1[nH]nc2ccccc21)[C@@H]1CCCO1 ZINC000589641335 346721712 /nfs/dbraw/zinc/72/17/12/346721712.db2.gz NKSYFBKULBVPBK-HZMBPMFUSA-N 0 3 245.326 2.220 10 0 BEAEHN Cc1cccc(NCCN2CCSCC2)c1 ZINC000053374268 179145454 /nfs/dbraw/zinc/14/54/54/179145454.db2.gz MRCCBOLAADRJJC-UHFFFAOYSA-N 0 3 236.384 2.456 10 0 BEAEHN CCCC[C@]1(CC)NCCc2ncn(C)c21 ZINC000725242713 537986241 /nfs/dbraw/zinc/98/62/41/537986241.db2.gz MUFXFAYFEZSPNJ-ZDUSSCGKSA-N 0 3 221.348 2.361 10 0 BEAEHN CC[C@H]1CO[C@@H](c2ccc(C)s2)CN1 ZINC000036672935 347430542 /nfs/dbraw/zinc/43/05/42/347430542.db2.gz QUTDVMSSCDOOCP-VHSXEESVSA-N 0 3 211.330 2.496 10 0 BEAEHN Cc1ccccc1CC[C@@H]1COC[C@@H](C)N1 ZINC000071521366 179266747 /nfs/dbraw/zinc/26/67/47/179266747.db2.gz IXPXNBFHSMTLQG-TZMCWYRMSA-N 0 3 219.328 2.305 10 0 BEAEHN Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000048265961 179279585 /nfs/dbraw/zinc/27/95/85/179279585.db2.gz KSYZTDQFWIHRIZ-TZMCWYRMSA-N 0 3 246.354 2.142 10 0 BEAEHN Cc1ccccc1NC(=O)CNC1CCC1 ZINC000052210473 179298415 /nfs/dbraw/zinc/29/84/15/179298415.db2.gz OWECFCXJFQYAEG-UHFFFAOYSA-N 0 3 218.300 2.076 10 0 BEAEHN Cc1ccccc1NC(=O)CN[C@H](C)C1CC1 ZINC000035142220 179298740 /nfs/dbraw/zinc/29/87/40/179298740.db2.gz DQKCDYYNHFUKIX-LLVKDONJSA-N 0 3 232.327 2.322 10 0 BEAEHN Cc1csc(CNC[C@H]2CCCCN2C)n1 ZINC000054243372 1172097498 /nfs/dbraw/zinc/09/74/98/1172097498.db2.gz OUKJREHJVUOVCO-LLVKDONJSA-N 0 3 239.388 2.025 10 0 BEAEHN C[C@H]1CSCCN1CC[C@H]1CCCC1=O ZINC000251576118 362888321 /nfs/dbraw/zinc/88/83/21/362888321.db2.gz CFCUOACYYDFGPT-WDEREUQCSA-N 0 3 227.373 2.183 10 0 BEAEHN C[C@@H]1C[C@]2(C[C@H](C)O1)N[C@@H](C)CCS2 ZINC000251781929 362917378 /nfs/dbraw/zinc/91/73/78/362917378.db2.gz WFCSHSXCBCJPII-UKKRHICBSA-N 0 3 215.362 2.385 10 0 BEAEHN CC(C)(C)OC(=O)n1cc2c(c1)[C@@H](N)CC2 ZINC000669382492 538004299 /nfs/dbraw/zinc/00/42/99/538004299.db2.gz LTQFBEGNKDSUGU-JTQLQIEISA-N 0 3 222.288 2.217 10 0 BEAEHN Cc1ccsc1[C@@H](NC1CCCC1)C(N)=O ZINC000041673600 179554069 /nfs/dbraw/zinc/55/40/69/179554069.db2.gz VMHVHDHVWYBLPO-SNVBAGLBSA-N 0 3 238.356 2.115 10 0 BEAEHN Cc1ccc2c(c1Cl)NC[C@]21C[C@@H]1N ZINC000725246898 538008986 /nfs/dbraw/zinc/00/89/86/538008986.db2.gz ADUCDHONSHYVOH-GZMMTYOYSA-N 0 3 208.692 2.043 10 0 BEAEHN C[C@H]1CS[C@]2(CCN(Cc3ccccc3)C2)N1 ZINC000159142795 348626016 /nfs/dbraw/zinc/62/60/16/348626016.db2.gz LJQODBBJMSUZCS-JSGCOSHPSA-N 0 3 248.395 2.314 10 0 BEAEHN N[C@H]1C[C@@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247076 538010683 /nfs/dbraw/zinc/01/06/83/538010683.db2.gz GQXAMYOAPLVECT-WCBMZHEXSA-N 0 3 229.110 2.388 10 0 BEAEHN CN[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000054071551 348874241 /nfs/dbraw/zinc/87/42/41/348874241.db2.gz UQUMGBBQKOFZLM-MRVPVSSYSA-N 0 3 249.339 2.151 10 0 BEAEHN FCC[C@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000308881625 349017593 /nfs/dbraw/zinc/01/75/93/349017593.db2.gz QNCJLYODXVEFJF-KOLCDFICSA-N 0 3 211.284 2.028 10 0 BEAEHN C/C=C\C(=O)Nc1ccc(C)c(CN)c1C ZINC000616574111 349076352 /nfs/dbraw/zinc/07/63/52/349076352.db2.gz XGZXQMWBILITFW-PLNGDYQASA-N 0 3 218.300 2.277 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nnc(C(C)(C)C)[nH]1 ZINC000616572489 349066638 /nfs/dbraw/zinc/06/66/38/349066638.db2.gz WFHVNYOCBMJLJC-YUMQZZPRSA-N 0 3 210.325 2.148 10 0 BEAEHN CC[C@H](C)[C@H](N)c1n[nH]c(C(C)(C)C)n1 ZINC000616572489 349066640 /nfs/dbraw/zinc/06/66/40/349066640.db2.gz WFHVNYOCBMJLJC-YUMQZZPRSA-N 0 3 210.325 2.148 10 0 BEAEHN CC[C@H](C)c1nc2c(n1C)[C@H](N)CCC2 ZINC000725253377 538037370 /nfs/dbraw/zinc/03/73/70/538037370.db2.gz JRVUMDZGUVFQLS-DTWKUNHWSA-N 0 3 207.321 2.270 10 0 BEAEHN F[C@@H]1COC[C@H]1NC1CCCCCC1 ZINC000616581133 349262526 /nfs/dbraw/zinc/26/25/26/349262526.db2.gz GXFKONFEEBXROH-GHMZBOCLSA-N 0 3 201.285 2.036 10 0 BEAEHN NCc1cccc(Cl)c1OC(F)F ZINC000159162444 349302121 /nfs/dbraw/zinc/30/21/21/349302121.db2.gz QDBTVPWCWHRJIM-UHFFFAOYSA-N 0 3 207.607 2.400 10 0 BEAEHN O[C@@]12CCCC[C@@H]1CN(Cc1ccco1)CC2 ZINC000160841821 349335423 /nfs/dbraw/zinc/33/54/23/349335423.db2.gz XKPRMTPTRLGDCI-TZMCWYRMSA-N 0 3 235.327 2.407 10 0 BEAEHN COC(=O)c1occc1CN[C@H](C)C(C)C ZINC000035222861 358455629 /nfs/dbraw/zinc/45/56/29/358455629.db2.gz ZKJIXJVAFDUUIH-SECBINFHSA-N 0 3 225.288 2.200 10 0 BEAEHN Cc1nc(N)sc1SCCN1CCCC1 ZINC000020254128 180001389 /nfs/dbraw/zinc/00/13/89/180001389.db2.gz ITPFQLFPRTZIDE-UHFFFAOYSA-N 0 3 243.401 2.222 10 0 BEAEHN Cc1nc(N2CCSCC2)sc1[C@@H](C)N ZINC000054894762 180002580 /nfs/dbraw/zinc/00/25/80/180002580.db2.gz CEAGGHOFTZOVGK-SSDOTTSWSA-N 0 3 243.401 2.024 10 0 BEAEHN Cc1nc([C@@H]2CCCO2)sc1[C@@H](C)N ZINC000082420715 180044813 /nfs/dbraw/zinc/04/48/13/180044813.db2.gz NEMSDFLEDKFITB-SVRRBLITSA-N 0 3 212.318 2.323 10 0 BEAEHN Cc1[nH]c([C@H](C)N)nc1-c1ccccc1 ZINC000036872262 180048093 /nfs/dbraw/zinc/04/80/93/180048093.db2.gz QVKFQKPUNLPBMO-QMMMGPOBSA-N 0 3 201.273 2.405 10 0 BEAEHN Cc1nc([C@H](N)Cc2cccnc2)cs1 ZINC000082366342 180053395 /nfs/dbraw/zinc/05/33/95/180053395.db2.gz ZHVRWXKFQWNSAN-SNVBAGLBSA-N 0 3 219.313 2.089 10 0 BEAEHN NC1(c2ncccn2)C2CC3CC(C2)CC1C3 ZINC000725255261 538050798 /nfs/dbraw/zinc/05/07/98/538050798.db2.gz XQDXTVPAXQFGDD-UHFFFAOYSA-N 0 3 229.327 2.087 10 0 BEAEHN C[C@H](CCNCc1ccc(F)cc1)[S@@](C)=O ZINC000132575431 191034038 /nfs/dbraw/zinc/03/40/38/191034038.db2.gz WPPUYROIJFTKKP-HWPZZCPQSA-N 0 3 243.347 2.072 10 0 BEAEHN C[C@H](CCNCc1cccc(F)c1)[S@](C)=O ZINC000132595190 191034243 /nfs/dbraw/zinc/03/42/43/191034243.db2.gz BUOQMFWGIQCNEF-QLJPJBMISA-N 0 3 243.347 2.072 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2NC[C@H]1CC=CCC1 ZINC000124457624 180110475 /nfs/dbraw/zinc/11/04/75/180110475.db2.gz CESHWXKIGUVWNQ-STQMWFEESA-N 0 3 246.358 2.367 10 0 BEAEHN Cc1nc2cccc(Cl)n2c1[C@H](C)N ZINC000074375103 180099240 /nfs/dbraw/zinc/09/92/40/180099240.db2.gz SDIAKFFUTYFGLY-LURJTMIESA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1nccc(CN[C@H](C)C2(C)CC2)n1 ZINC000038037580 180190576 /nfs/dbraw/zinc/19/05/76/180190576.db2.gz LQPGXZGWPJUOMW-SECBINFHSA-N 0 3 205.305 2.063 10 0 BEAEHN Cc1nccc(CNC[C@H]2CCCSC2)n1 ZINC000304404999 180188567 /nfs/dbraw/zinc/18/85/67/180188567.db2.gz HTBJYUGETDOTFJ-LLVKDONJSA-N 0 3 237.372 2.018 10 0 BEAEHN Cc1nc(CN)cc(-c2cccc(F)c2)n1 ZINC000074111166 350238763 /nfs/dbraw/zinc/23/87/63/350238763.db2.gz WBVDJGXBMUYEHC-UHFFFAOYSA-N 0 3 217.247 2.050 10 0 BEAEHN Cc1nccnc1[C@@H](C)NC1CC(C)C1 ZINC000219195339 180280503 /nfs/dbraw/zinc/28/05/03/180280503.db2.gz BTRBHMBDGVLRJG-LDGBHUKOSA-N 0 3 205.305 2.234 10 0 BEAEHN CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000324278183 350289930 /nfs/dbraw/zinc/28/99/30/350289930.db2.gz NOLOLCYBXJONRP-LBPRGKRZSA-N 0 3 241.306 2.028 10 0 BEAEHN Cc1ncn(-c2ncccc2CNC2CC2)c1C ZINC000051928428 180285020 /nfs/dbraw/zinc/28/50/20/180285020.db2.gz HHTUWMRNNFEEHJ-UHFFFAOYSA-N 0 3 242.326 2.136 10 0 BEAEHN Cc1ncsc1[C@@H](C)N[C@@H]1CCCN(C)C1 ZINC000040673141 180326317 /nfs/dbraw/zinc/32/63/17/180326317.db2.gz JUSQGPZGJHZGCV-GHMZBOCLSA-N 0 3 239.388 2.196 10 0 BEAEHN Cc1ncsc1[C@H](C)N[C@H](C)[C@@H](C)CO ZINC000134127093 180327082 /nfs/dbraw/zinc/32/70/82/180327082.db2.gz ZEMRJARRMDLFHT-XKSSXDPKSA-N 0 3 228.361 2.119 10 0 BEAEHN Cc1nn(-c2ccccc2F)c(C)c1CN ZINC000019488983 180330240 /nfs/dbraw/zinc/33/02/40/180330240.db2.gz UJCMVVUAGGEEHI-UHFFFAOYSA-N 0 3 219.263 2.087 10 0 BEAEHN Cc1nn(C)cc1[C@H](C)NC1CC(F)(F)C1 ZINC000277078979 180380498 /nfs/dbraw/zinc/38/04/98/180380498.db2.gz JNMMXTYTEGLVFL-ZETCQYMHSA-N 0 3 229.274 2.177 10 0 BEAEHN Cc1nn(Cc2cc(CN)c(C)o2)c(C)c1C ZINC000052577743 180391508 /nfs/dbraw/zinc/39/15/08/180391508.db2.gz AZAZJTWWFYNUFO-UHFFFAOYSA-N 0 3 233.315 2.217 10 0 BEAEHN CC(C)N1CCO[C@H](c2ccc(N)cc2)CC1 ZINC000616593193 350527166 /nfs/dbraw/zinc/52/71/66/350527166.db2.gz JUAHENGESXXUNU-AWEZNQCLSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](C(F)(F)F)CC1 ZINC000616594162 350592329 /nfs/dbraw/zinc/59/23/29/350592329.db2.gz CTMSMOOGOCEJTP-MRVPVSSYSA-N 0 3 225.254 2.438 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2cccnn2)CC1 ZINC000616594159 350592581 /nfs/dbraw/zinc/59/25/81/350592581.db2.gz NYQZAOHZJXVGTB-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ccnc(N)c2)CC1 ZINC000616594288 350593225 /nfs/dbraw/zinc/59/32/25/350593225.db2.gz DYVPMGHQNSKSTG-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN CC(C)N1CCCOC[C@H]1c1ccccc1CO ZINC000616597727 350653471 /nfs/dbraw/zinc/65/34/71/350653471.db2.gz QYVZFKWMFPOCHW-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CN1CCOC[C@@H](c2cccc3ccncc32)C1 ZINC000616599078 350710648 /nfs/dbraw/zinc/71/06/48/350710648.db2.gz VYVWZJWOLKSEQG-ZDUSSCGKSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(=O)Nc1ccc([C@H]2COCCCN2C)cc1 ZINC000616599697 350755422 /nfs/dbraw/zinc/75/54/22/350755422.db2.gz NQOIBTCOYJQFCT-CQSZACIVSA-N 0 3 248.326 2.038 10 0 BEAEHN OCCN1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000616613999 350822544 /nfs/dbraw/zinc/82/25/44/350822544.db2.gz ZBJDSLFRVJSZPY-AWEZNQCLSA-N 0 3 242.322 2.016 10 0 BEAEHN CC(C)(C)N1CCC[C@@H]1c1cncnc1 ZINC000616607567 350800931 /nfs/dbraw/zinc/80/09/31/350800931.db2.gz JWEZMFYSBWMWOZ-LLVKDONJSA-N 0 3 205.305 2.412 10 0 BEAEHN CC(C)N1CCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616607931 350801858 /nfs/dbraw/zinc/80/18/58/350801858.db2.gz YNKYUMFACAOYCF-ZDUSSCGKSA-N 0 3 232.327 2.331 10 0 BEAEHN NCc1ccc(Cl)cc1OC(F)F ZINC000128870161 350831926 /nfs/dbraw/zinc/83/19/26/350831926.db2.gz MJBVUQNUOXYRLF-UHFFFAOYSA-N 0 3 207.607 2.400 10 0 BEAEHN CC(C)(C)N1CCCC[C@@H]1c1cc(N)n[nH]1 ZINC000616614453 350833539 /nfs/dbraw/zinc/83/35/39/350833539.db2.gz OWVQHZOGTHWHFT-SNVBAGLBSA-N 0 3 222.336 2.148 10 0 BEAEHN CC(C)(C)N1CC[C@@H](OC(F)(F)F)C1 ZINC000616614628 350836262 /nfs/dbraw/zinc/83/62/62/350836262.db2.gz STTWNJZAXQNISR-SSDOTTSWSA-N 0 3 211.227 2.396 10 0 BEAEHN CN1CCC[C@H](c2cnnc3ccccc32)C1 ZINC000616617563 350869061 /nfs/dbraw/zinc/86/90/61/350869061.db2.gz UEVKIBRLNQZCJO-NSHDSACASA-N 0 3 227.311 2.439 10 0 BEAEHN c1onnc1[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000616618737 350924770 /nfs/dbraw/zinc/92/47/70/350924770.db2.gz VKQVXLQEITXJHN-CYBMUJFWSA-N 0 3 243.310 2.449 10 0 BEAEHN CCN1CCCCC[C@H]1c1ccnnc1 ZINC000616621109 350966149 /nfs/dbraw/zinc/96/61/49/350966149.db2.gz KSGOCNNTZHAGLP-LBPRGKRZSA-N 0 3 205.305 2.414 10 0 BEAEHN Clc1cnc([C@H]2NC[C@H]2C2CC2)s1 ZINC000306771416 351007926 /nfs/dbraw/zinc/00/79/26/351007926.db2.gz CITMCMMUKGQTGY-XPUUQOCRSA-N 0 3 214.721 2.467 10 0 BEAEHN C[C@@H](Nc1cccc(N)n1)C(C)(F)F ZINC000306792061 351040879 /nfs/dbraw/zinc/04/08/79/351040879.db2.gz ZVZZOPDMLXGXBH-ZCFIWIBFSA-N 0 3 201.220 2.119 10 0 BEAEHN C[C@@H]1CS[C@H]([C@@]2(C)CCCS2)N1 ZINC000306803203 351057504 /nfs/dbraw/zinc/05/75/04/351057504.db2.gz VODGZUGGMAZVDB-IWSPIJDZSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@@H]1CS[C@@H]([C@@]2(C)CCCS2)N1 ZINC000306803202 351057573 /nfs/dbraw/zinc/05/75/73/351057573.db2.gz VODGZUGGMAZVDB-HRDYMLBCSA-N 0 3 203.376 2.323 10 0 BEAEHN Cc1ncc(CN2C[C@H]3CCCCN3C[C@H]2C)o1 ZINC000398089633 363002491 /nfs/dbraw/zinc/00/24/91/363002491.db2.gz WWIDHBJFSRBDTK-DGCLKSJQSA-N 0 3 249.358 2.042 10 0 BEAEHN CNc1ccccc1[C@@H]1CN(C(C)C)CCN1 ZINC000616631932 351109960 /nfs/dbraw/zinc/10/99/60/351109960.db2.gz ATERPYJNFIQVFA-AWEZNQCLSA-N 0 3 233.359 2.083 10 0 BEAEHN CCN1CCCO[C@@H](c2ccccc2CCO)C1 ZINC000616653720 351193453 /nfs/dbraw/zinc/19/34/53/351193453.db2.gz WKGXJZWMJYJHIX-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CC(C)N1CCCOC[C@H]1c1cccc(CO)c1 ZINC000616646008 351169340 /nfs/dbraw/zinc/16/93/40/351169340.db2.gz RKWCWJXJHLATJK-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ccon2)C1 ZINC000616650060 351173701 /nfs/dbraw/zinc/17/37/01/351173701.db2.gz RRAGFNGAQJUGAD-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN CCN1CCCO[C@H](c2ccc(OC)cc2)C1 ZINC000616648808 351177194 /nfs/dbraw/zinc/17/71/94/351177194.db2.gz CWJWFLJQHUOSCT-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2cnoc2)C1 ZINC000616649402 351177662 /nfs/dbraw/zinc/17/76/62/351177662.db2.gz IEFRXUNVQWOIJC-NSHDSACASA-N 0 3 224.304 2.237 10 0 BEAEHN OCCN1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616654052 351194864 /nfs/dbraw/zinc/19/48/64/351194864.db2.gz KTNCLPCXQLBJBP-CYBMUJFWSA-N 0 3 237.318 2.388 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](C(F)(F)F)C1 ZINC000616652231 351190723 /nfs/dbraw/zinc/19/07/23/351190723.db2.gz FNILTXBILYKXPG-MRVPVSSYSA-N 0 3 225.254 2.438 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2cocn2)C1 ZINC000616652203 351191210 /nfs/dbraw/zinc/19/12/10/351191210.db2.gz DWWKQLGESZQYKQ-LLVKDONJSA-N 0 3 224.304 2.237 10 0 BEAEHN C[C@H]1C[C@@H]1Nc1cc(N)ncc1Br ZINC000306829643 351138947 /nfs/dbraw/zinc/13/89/47/351138947.db2.gz KFKAGVNAMAAVID-FSPLSTOPSA-N 0 3 242.120 2.247 10 0 BEAEHN CNc1ccc([C@@H]2CCN(C)CCO2)cc1 ZINC000616686971 351257799 /nfs/dbraw/zinc/25/77/99/351257799.db2.gz NJPUBIGUJTVZAU-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CN1CCO[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616687347 351258140 /nfs/dbraw/zinc/25/81/40/351258140.db2.gz WCEYMBSNCCJEQU-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ncco2)CC1 ZINC000616687006 351258297 /nfs/dbraw/zinc/25/82/97/351258297.db2.gz PQGVHXYGJFGLMI-JTQLQIEISA-N 0 3 224.304 2.237 10 0 BEAEHN CCN1CCO[C@H](c2ccccc2CCO)CC1 ZINC000616687377 351258320 /nfs/dbraw/zinc/25/83/20/351258320.db2.gz WORBASJFZLPUGO-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CCN1CCOC[C@H](c2ccc(NC)cc2)C1 ZINC000616658075 351200843 /nfs/dbraw/zinc/20/08/43/351200843.db2.gz BGBBPMRRYJWNRN-CYBMUJFWSA-N 0 3 234.343 2.164 10 0 BEAEHN CC(C)(C)N1CCOC[C@H](c2ccccn2)C1 ZINC000616658440 351203936 /nfs/dbraw/zinc/20/39/36/351203936.db2.gz FHSSSPXCPOHLNF-GFCCVEGCSA-N 0 3 234.343 2.296 10 0 BEAEHN c1cnc2ccc([C@@H]3CCOCCN3)cc2c1 ZINC000616660927 351212876 /nfs/dbraw/zinc/21/28/76/351212876.db2.gz SXMQTZBWEVLSDV-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOC[C@H](c2ccc3ncccc3c2)C1 ZINC000616660974 351213958 /nfs/dbraw/zinc/21/39/58/351213958.db2.gz YNSSSBJZROPJJB-CQSZACIVSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)(C)N1CCO[C@H](Nc2ccccn2)CC1 ZINC000616665611 351223590 /nfs/dbraw/zinc/22/35/90/351223590.db2.gz OHKSCVHKMYMVTA-ZDUSSCGKSA-N 0 3 249.358 2.340 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ncccn2)CC1 ZINC000616665922 351224122 /nfs/dbraw/zinc/22/41/22/351224122.db2.gz ADPQXKXHADVEGW-LLVKDONJSA-N 0 3 235.331 2.039 10 0 BEAEHN CN[C@@H]1COc2cc(Br)c(C)cc21 ZINC000306975731 351396162 /nfs/dbraw/zinc/39/61/62/351396162.db2.gz AAYZGHKXRMZCQP-SECBINFHSA-N 0 3 242.116 2.410 10 0 BEAEHN C[C@@](F)(c1ccns1)[C@@H]1CCCN1 ZINC000306983015 351400053 /nfs/dbraw/zinc/40/00/53/351400053.db2.gz KBTWKOKYDJOFTA-CBAPKCEASA-N 0 3 200.282 2.080 10 0 BEAEHN CN[C@@H](C1=CCCO1)[C@@H]1CCCCS1 ZINC000168246275 351352526 /nfs/dbraw/zinc/35/25/26/351352526.db2.gz UPACIEAOYXDUSL-QWRGUYRKSA-N 0 3 213.346 2.164 10 0 BEAEHN C[C@H](N)c1cnc(N2CCC[C@H]2C)s1 ZINC000252095082 363027175 /nfs/dbraw/zinc/02/71/75/363027175.db2.gz FIQHMERAQBIHLL-SFYZADRCSA-N 0 3 211.334 2.152 10 0 BEAEHN Cc1nc([C@@H](N)C[C@H]2CCCO2)cs1 ZINC000307052599 351450760 /nfs/dbraw/zinc/45/07/60/351450760.db2.gz USUCDDNHARBGRA-BDAKNGLRSA-N 0 3 212.318 2.020 10 0 BEAEHN CO[C@@H](CN)c1csc(Br)c1 ZINC000306994636 351410861 /nfs/dbraw/zinc/41/08/61/351410861.db2.gz OFHQDZYIDQSRQK-LURJTMIESA-N 0 3 236.134 2.157 10 0 BEAEHN C[C@H]1CSC[C@]12N[C@H](C)CCS2 ZINC000307108415 351483059 /nfs/dbraw/zinc/48/30/59/351483059.db2.gz JFVIMAHFOPSVBU-DJLDLDEBSA-N 0 3 203.376 2.181 10 0 BEAEHN Cc1ccsc1-c1nc([C@H](C)N)c[nH]1 ZINC000307191832 351593603 /nfs/dbraw/zinc/59/36/03/351593603.db2.gz BRBRPCCEIOEMOM-ZETCQYMHSA-N 0 3 207.302 2.466 10 0 BEAEHN CC[C@H](NC(=O)[C@@H](N)CCC(C)C)C(C)C ZINC000637950649 351824973 /nfs/dbraw/zinc/82/49/73/351824973.db2.gz HZEWCEPGEMTBNS-RYUDHWBXSA-N 0 3 228.380 2.301 10 0 BEAEHN Cc1nc([C@@H](C)N)cn1Cc1ccccc1 ZINC000307290325 351859012 /nfs/dbraw/zinc/85/90/12/351859012.db2.gz BKVVGRBHLZQTFI-SNVBAGLBSA-N 0 3 215.300 2.260 10 0 BEAEHN NCc1csc(OC2CCCCC2)n1 ZINC000307303762 351927230 /nfs/dbraw/zinc/92/72/30/351927230.db2.gz DTWHWLHWLBPCDG-UHFFFAOYSA-N 0 3 212.318 2.313 10 0 BEAEHN CCC[C@@H]1C[C@H]1NC(=O)[C@H](N)CCC(C)C ZINC000638036171 351916621 /nfs/dbraw/zinc/91/66/21/351916621.db2.gz AWVBUEDZBICPIK-IJLUTSLNSA-N 0 3 226.364 2.055 10 0 BEAEHN CC[C@@H]1CN=C(N[C@H]2CS[C@H](C)C2)S1 ZINC000307347510 352102584 /nfs/dbraw/zinc/10/25/84/352102584.db2.gz QEJFBPQYGHRVFJ-IWSPIJDZSA-N 0 3 230.402 2.351 10 0 BEAEHN CC[C@](C)(N)c1ncccc1Br ZINC000307387685 352548138 /nfs/dbraw/zinc/54/81/38/352548138.db2.gz DPVCVKQIUONOSC-VIFPVBQESA-N 0 3 229.121 2.428 10 0 BEAEHN CSC1([C@H]2NCCCS2)CCC1 ZINC000307568508 352657204 /nfs/dbraw/zinc/65/72/04/352657204.db2.gz VWNSSUJRADIZQD-QMMMGPOBSA-N 0 3 203.376 2.325 10 0 BEAEHN CC[C@@]1(C)CN[C@@H]1c1cnc(OC)s1 ZINC000307574762 352658512 /nfs/dbraw/zinc/65/85/12/352658512.db2.gz HPWARQGLGDEJMH-SCZZXKLOSA-N 0 3 212.318 2.212 10 0 BEAEHN NCc1cn(-c2ccsc2Cl)cn1 ZINC000307585394 352661907 /nfs/dbraw/zinc/66/19/07/352661907.db2.gz LMUCXQXODYNRIJ-UHFFFAOYSA-N 0 3 213.693 2.046 10 0 BEAEHN NC1(c2csc(CC3CCC3)n2)CC1 ZINC000307612127 352669955 /nfs/dbraw/zinc/66/99/55/352669955.db2.gz KGXSXKMOHDKLSA-UHFFFAOYSA-N 0 3 208.330 2.434 10 0 BEAEHN C[C@H]1CC[C@@](N)(c2ncncc2Cl)C1 ZINC000307495165 352625314 /nfs/dbraw/zinc/62/53/14/352625314.db2.gz MAXFLYUPTOTRNS-XVKPBYJWSA-N 0 3 211.696 2.104 10 0 BEAEHN Cc1cc(O)cc(NC(=O)[C@H](N)CC(C)C)c1 ZINC000638756050 352689621 /nfs/dbraw/zinc/68/96/21/352689621.db2.gz CZPOTZLVUDRZOA-GFCCVEGCSA-N 0 3 236.315 2.013 10 0 BEAEHN CSC1([C@H]2N[C@H](C)CS2)CCC1 ZINC000307626770 352707676 /nfs/dbraw/zinc/70/76/76/352707676.db2.gz IALHFJRWSBCCSS-SFYZADRCSA-N 0 3 203.376 2.323 10 0 BEAEHN NCc1cc(F)c(F)cc1OC(F)F ZINC000306660194 353032976 /nfs/dbraw/zinc/03/29/76/353032976.db2.gz QBOCUPIIWLSYDO-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN CN(Cc1ccnc(Cl)n1)C(C)(C)C ZINC000306682901 353034528 /nfs/dbraw/zinc/03/45/28/353034528.db2.gz SZDMMBKFXYIGKR-UHFFFAOYSA-N 0 3 213.712 2.360 10 0 BEAEHN N[C@@H](c1ccsn1)[C@H]1CCCS1 ZINC000306338422 353005026 /nfs/dbraw/zinc/00/50/26/353005026.db2.gz VVFWPSQHXJRUSY-SFYZADRCSA-N 0 3 200.332 2.039 10 0 BEAEHN NCc1c(F)cccc1C1CCOCC1 ZINC000536954940 323964415 /nfs/dbraw/zinc/96/44/15/323964415.db2.gz SNLNIEADTYOVOU-UHFFFAOYSA-N 0 3 209.264 2.178 10 0 BEAEHN Clc1ccc(CC[C@H]2COCCN2)s1 ZINC000129424588 353118655 /nfs/dbraw/zinc/11/86/55/353118655.db2.gz VQCFMUQPRGIPRG-QMMMGPOBSA-N 0 3 231.748 2.323 10 0 BEAEHN C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2CO)c2nccn21 ZINC000329285665 538108794 /nfs/dbraw/zinc/10/87/94/538108794.db2.gz OYEOJBASMVQAPI-NDBYEHHHSA-N 0 3 249.358 2.030 10 0 BEAEHN CC(C)(N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000040922809 188083852 /nfs/dbraw/zinc/08/38/52/188083852.db2.gz PMMMJOKKNHRRFF-UHFFFAOYSA-N 0 3 245.282 2.017 10 0 BEAEHN C[C@H]1CCCN(c2nc3c(s2)CNCC3)C1 ZINC000536961290 323974855 /nfs/dbraw/zinc/97/48/55/323974855.db2.gz YSOYRIDUERLSBZ-VIFPVBQESA-N 0 3 237.372 2.025 10 0 BEAEHN CC(C)CO[C@H]1COc2ccccc2[C@@H]1N ZINC000019267841 188106813 /nfs/dbraw/zinc/10/68/13/188106813.db2.gz UQTSJVORLBCQOH-STQMWFEESA-N 0 3 221.300 2.120 10 0 BEAEHN CCn1c2cccc(F)c2nc1[C@H](C)N ZINC000037442613 188106930 /nfs/dbraw/zinc/10/69/30/188106930.db2.gz OOMKDSLZZKHXRZ-ZETCQYMHSA-N 0 3 207.252 2.215 10 0 BEAEHN CN(CC1CC1)[C@@H](CN)c1c(F)cccc1F ZINC000037925310 188114427 /nfs/dbraw/zinc/11/44/27/188114427.db2.gz FNKRBLNSLRXRAV-LBPRGKRZSA-N 0 3 240.297 2.306 10 0 BEAEHN CC(C)C[C@@H](CN[C@H](C)c1cc[nH]n1)N(C)C ZINC000037906981 188115008 /nfs/dbraw/zinc/11/50/08/188115008.db2.gz FENJJGHNAPZYNG-NEPJUHHUSA-N 0 3 238.379 2.037 10 0 BEAEHN C[C@H]1NCCc2cccc(OC(F)F)c21 ZINC000075701788 188115802 /nfs/dbraw/zinc/11/58/02/188115802.db2.gz BRYCSQAOBVESFY-SSDOTTSWSA-N 0 3 213.227 2.495 10 0 BEAEHN CNCc1cnn(-c2ccc(F)cc2F)c1C ZINC000042355510 188119204 /nfs/dbraw/zinc/11/92/04/188119204.db2.gz RGFNPJHBKPYPSE-UHFFFAOYSA-N 0 3 237.253 2.178 10 0 BEAEHN CNCc1cnn(-c2ccc(C)cc2)c1C ZINC000042355468 188119416 /nfs/dbraw/zinc/11/94/16/188119416.db2.gz NMOBOULEPZTWDD-UHFFFAOYSA-N 0 3 215.300 2.209 10 0 BEAEHN Cc1cc(C)n([C@@H](CN)c2ccc(C)s2)n1 ZINC000043243487 188121638 /nfs/dbraw/zinc/12/16/38/188121638.db2.gz WVCTWCQFZLEMOQ-NSHDSACASA-N 0 3 235.356 2.418 10 0 BEAEHN CC(=O)CCCCN1CCN(CC(C)C)CC1 ZINC000055080079 188127309 /nfs/dbraw/zinc/12/73/09/188127309.db2.gz OIZPOQKATWNDCK-UHFFFAOYSA-N 0 3 240.391 2.019 10 0 BEAEHN NCc1ccccc1CNC(=O)c1cccs1 ZINC000061841113 188128281 /nfs/dbraw/zinc/12/82/81/188128281.db2.gz YCCATKOGJRMELX-UHFFFAOYSA-N 0 3 246.335 2.137 10 0 BEAEHN CC1(C)SC[C@@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000309754868 188168917 /nfs/dbraw/zinc/16/89/17/188168917.db2.gz HJFAZQBRCUFAIE-KOLCDFICSA-N 0 3 237.372 2.271 10 0 BEAEHN CC(C)(C)c1cnc(CN)cc1OC1CC1 ZINC000095737824 188146536 /nfs/dbraw/zinc/14/65/36/188146536.db2.gz VPOLPJKRDKGYDV-UHFFFAOYSA-N 0 3 220.316 2.379 10 0 BEAEHN CC(C)(C)O[C@@H]1Cc2ccccc2[C@@H]1N ZINC000020510884 188178115 /nfs/dbraw/zinc/17/81/15/188178115.db2.gz LNHHNMZTVMCOQD-NEPJUHHUSA-N 0 3 205.301 2.426 10 0 BEAEHN CC1(C)CCN(c2ncc(CN)s2)CC1 ZINC000061823613 188183761 /nfs/dbraw/zinc/18/37/61/188183761.db2.gz JITUIHBJQQBEML-UHFFFAOYSA-N 0 3 225.361 2.228 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)CC1CCC1 ZINC000638996127 353239151 /nfs/dbraw/zinc/23/91/51/353239151.db2.gz JOLJXLBYNVKJHF-CMPLNLGQSA-N 0 3 226.364 2.055 10 0 BEAEHN COc1cc(Br)ccc1C1(N)CC1 ZINC000096877771 188223537 /nfs/dbraw/zinc/22/35/37/188223537.db2.gz RARMMFISYIGKBM-UHFFFAOYSA-N 0 3 242.116 2.406 10 0 BEAEHN C[C@H]1C[C@@]1(N)c1ccc(Br)cn1 ZINC000133348332 353413611 /nfs/dbraw/zinc/41/36/11/353413611.db2.gz RCXAGVMYYZARSM-RCOVLWMOSA-N 0 3 227.105 2.038 10 0 BEAEHN CCN1C[C@H](C)[C@H](Nc2ncc(C)s2)C1 ZINC000309030409 491051951 /nfs/dbraw/zinc/05/19/51/491051951.db2.gz DHIZXVZRYWDFJG-WCBMZHEXSA-N 0 3 225.361 2.204 10 0 BEAEHN Fc1ccccc1CNC1=NCCCS1 ZINC000020586446 181011477 /nfs/dbraw/zinc/01/14/77/181011477.db2.gz SNCOZTUXXTTZFX-UHFFFAOYSA-N 0 3 224.304 2.408 10 0 BEAEHN N=C(N)c1cc2ccccc2c(Cl)n1 ZINC000067173633 181194409 /nfs/dbraw/zinc/19/44/09/181194409.db2.gz MWHPDTBJGFVBEA-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN N=C(N)c1cccc(-c2ccccc2F)n1 ZINC000071186718 181194872 /nfs/dbraw/zinc/19/48/72/181194872.db2.gz NYKGXMQBICIPBE-UHFFFAOYSA-N 0 3 215.231 2.172 10 0 BEAEHN N=C(N)c1cccc(-c2ccc(F)cc2)n1 ZINC000071186720 181195454 /nfs/dbraw/zinc/19/54/54/181195454.db2.gz YCWNETVUBPNYRJ-UHFFFAOYSA-N 0 3 215.231 2.172 10 0 BEAEHN N=C(N)c1cccnc1OCCc1cccs1 ZINC000049585680 181195933 /nfs/dbraw/zinc/19/59/33/181195933.db2.gz NKPNHGVVNPKVGM-UHFFFAOYSA-N 0 3 247.323 2.049 10 0 BEAEHN CS[C@@H]1CCCC[C@H]1NCc1nccn1C ZINC000219200847 355520171 /nfs/dbraw/zinc/52/01/71/355520171.db2.gz DKGRVDUZJKZKTM-GHMZBOCLSA-N 0 3 239.388 2.184 10 0 BEAEHN N=C(Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000062988814 181200169 /nfs/dbraw/zinc/20/01/69/181200169.db2.gz CBEBMMOAJRANDF-UHFFFAOYSA-N 0 3 239.278 2.223 10 0 BEAEHN CNc1cc(CNC2CC2)c(Cl)cn1 ZINC000166575489 355701150 /nfs/dbraw/zinc/70/11/50/355701150.db2.gz HOASPAPMKDGDAS-UHFFFAOYSA-N 0 3 211.696 2.029 10 0 BEAEHN NC(=O)C1(N)CCCCCCCCCCC1 ZINC000037870566 181213987 /nfs/dbraw/zinc/21/39/87/181213987.db2.gz OBICPUKKPFELML-UHFFFAOYSA-N 0 3 226.364 2.474 10 0 BEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)OC(C)C ZINC000127114276 324746242 /nfs/dbraw/zinc/74/62/42/324746242.db2.gz UFPSUVUQFREKCT-NSHDSACASA-N 0 3 230.352 2.097 10 0 BEAEHN CCN1CCC[C@H](Nc2cc(C(C)C)ncn2)C1 ZINC000040766514 358499399 /nfs/dbraw/zinc/49/93/99/358499399.db2.gz DMXMTYKLDXQHHJ-LBPRGKRZSA-N 0 3 248.374 2.496 10 0 BEAEHN CCCCN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037198021 535295330 /nfs/dbraw/zinc/29/53/30/535295330.db2.gz IICALBKSSRACNP-LBPRGKRZSA-N 0 3 232.327 2.484 10 0 BEAEHN CCC(F)(F)CN1CCN2CCCC[C@H]2C1 ZINC000639533000 356383695 /nfs/dbraw/zinc/38/36/95/356383695.db2.gz MWJUQAVHPSMRNA-NSHDSACASA-N 0 3 232.318 2.202 10 0 BEAEHN CCN(C)Cc1cccc(NC(C)=O)c1 ZINC000101566761 356418197 /nfs/dbraw/zinc/41/81/97/356418197.db2.gz LLZBUJKRUNWFNR-UHFFFAOYSA-N 0 3 206.289 2.097 10 0 BEAEHN C[C@@H]1C[C@@H](CN2CC(C(F)(F)F)C2)CCO1 ZINC000336188916 134122531 /nfs/dbraw/zinc/12/25/31/134122531.db2.gz LOEKFGGFBOOCCH-BDAKNGLRSA-N 0 3 237.265 2.296 10 0 BEAEHN CCCNCc1nc(CN(CC)CC)cs1 ZINC000052378045 538470552 /nfs/dbraw/zinc/47/05/52/538470552.db2.gz QCWDRRAHTGJGCS-UHFFFAOYSA-N 0 3 241.404 2.485 10 0 BEAEHN NC1(c2ccc(Cl)c(Cl)c2)CC(O)C1 ZINC000675058489 538481705 /nfs/dbraw/zinc/48/17/05/538481705.db2.gz ITSQGSJOCFVOBT-UHFFFAOYSA-N 0 3 232.110 2.302 10 0 BEAEHN CCC(O)(CC)CN1C[C@@H](C)OC(C)(C)C1 ZINC000162996612 202134104 /nfs/dbraw/zinc/13/41/04/202134104.db2.gz YNDZRGDBZUJXEL-LLVKDONJSA-N 0 3 229.364 2.037 10 0 BEAEHN CC[C@@H](C)[C@@H]1NCCCn2cc(C)nc21 ZINC000675067783 538495155 /nfs/dbraw/zinc/49/51/55/538495155.db2.gz JKKRPTPXWIHLBU-KOLCDFICSA-N 0 3 207.321 2.272 10 0 BEAEHN CCc1cn2c(n1)C1(CCCC1)NCCC2 ZINC000675069835 538499412 /nfs/dbraw/zinc/49/94/12/538499412.db2.gz YSESNYHXKQLULG-UHFFFAOYSA-N 0 3 219.332 2.208 10 0 BEAEHN COc1ccc(C)c2cc(CN)c(OC)nc12 ZINC000675070225 538501307 /nfs/dbraw/zinc/50/13/07/538501307.db2.gz SGPJJNVPJWXOCM-UHFFFAOYSA-N 0 3 232.283 2.019 10 0 BEAEHN Cc1cn2c(n1)[C@H](CC1CCC1)NCCC2 ZINC000675069039 538497799 /nfs/dbraw/zinc/49/77/99/538497799.db2.gz VKGYZCJMZQFPFU-LBPRGKRZSA-N 0 3 219.332 2.416 10 0 BEAEHN Cc1cn2c(n1)[C@@H](CC1CCC1)NCCC2 ZINC000675069037 538497878 /nfs/dbraw/zinc/49/78/78/538497878.db2.gz VKGYZCJMZQFPFU-GFCCVEGCSA-N 0 3 219.332 2.416 10 0 BEAEHN COc1ccc([C@@H]2C[C@H](F)CN2)cc1OC ZINC000675082639 538523189 /nfs/dbraw/zinc/52/31/89/538523189.db2.gz RNRNPNYBVVKFSV-UWVGGRQHSA-N 0 3 225.263 2.076 10 0 BEAEHN CCCCC[C@@H]1NCCc2ncn(C)c21 ZINC000220261002 538537940 /nfs/dbraw/zinc/53/79/40/538537940.db2.gz HDEXBTXJUJQTSS-JTQLQIEISA-N 0 3 207.321 2.187 10 0 BEAEHN CCCCC[C@@]1(C)NCCc2nc[nH]c21 ZINC000220260444 538539879 /nfs/dbraw/zinc/53/98/79/538539879.db2.gz IQYSLNFVMJBWPZ-GFCCVEGCSA-N 0 3 207.321 2.351 10 0 BEAEHN C[C@@H]1Oc2c(c(F)ccc2Br)[C@@H]1N ZINC000160407868 356705770 /nfs/dbraw/zinc/70/57/70/356705770.db2.gz YUBQFJXFSKVORU-RNHFCUEFSA-N 0 3 246.079 2.369 10 0 BEAEHN Cn1cnc2c1[C@H](CC(C)(C)C)NCC2 ZINC000084258794 538529398 /nfs/dbraw/zinc/52/93/98/538529398.db2.gz BCWVYPCZHVHOKK-JTQLQIEISA-N 0 3 207.321 2.043 10 0 BEAEHN CCOC(=O)/C=C/CN1CCC[C@@H](C)[C@@H]1C ZINC000087638775 538567913 /nfs/dbraw/zinc/56/79/13/538567913.db2.gz NQQKOMFBTXCISN-OWVOXGNYSA-N 0 3 225.332 2.226 10 0 BEAEHN CCN1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000389576292 356994471 /nfs/dbraw/zinc/99/44/71/356994471.db2.gz XCAZPCZVHVQBGY-VIFPVBQESA-N 0 3 228.723 2.117 10 0 BEAEHN CC(C)(N)c1cncn1Cc1ccccc1 ZINC000129959077 357080152 /nfs/dbraw/zinc/08/01/52/357080152.db2.gz NGUMSWLPDLYQFE-UHFFFAOYSA-N 0 3 215.300 2.125 10 0 BEAEHN N[C@H]1c2cc(Cl)ccc2CCC[C@@H]1O ZINC000039941516 491110640 /nfs/dbraw/zinc/11/06/40/491110640.db2.gz LTOASGHNLCUQCF-QWRGUYRKSA-N 0 3 211.692 2.037 10 0 BEAEHN CC[C@@H](C)CC(=O)N1CCCN(C2CC2)CC1 ZINC000190744831 357730291 /nfs/dbraw/zinc/73/02/91/357730291.db2.gz GTXXLDBACUFWAA-GFCCVEGCSA-N 0 3 238.375 2.119 10 0 BEAEHN c1cc(C2CCN(C[C@H]3CCC=CO3)CC2)n[nH]1 ZINC000191072945 357747626 /nfs/dbraw/zinc/74/76/26/357747626.db2.gz JTYIDBAHNKRZJF-CYBMUJFWSA-N 0 3 247.342 2.282 10 0 BEAEHN COC[C@@H](N)c1ccc(-n2cccc2)c(F)c1 ZINC000584595256 358252575 /nfs/dbraw/zinc/25/25/75/358252575.db2.gz XQNUUHIDADPUNK-GFCCVEGCSA-N 0 3 234.274 2.263 10 0 BEAEHN CN1CCC=C[C@@H]1C[C@@H](O)c1ccccc1 ZINC000584629356 358298290 /nfs/dbraw/zinc/29/82/90/358298290.db2.gz GWPTZCOGIWPPRH-ZIAGYGMSSA-N 0 3 217.312 2.370 10 0 BEAEHN Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 ZINC000584648125 358302614 /nfs/dbraw/zinc/30/26/14/358302614.db2.gz BMUDTLSVMNCFJM-NSHDSACASA-N 0 3 239.290 2.062 10 0 BEAEHN C[C@@H]1Cn2ncc(-c3ccc(F)cc3)c2CN1 ZINC000584648785 358303432 /nfs/dbraw/zinc/30/34/32/358303432.db2.gz RZTWDJYKEZQMHS-SECBINFHSA-N 0 3 231.274 2.181 10 0 BEAEHN CN1CCC[C@H]([C@H](O)c2ccccc2)C1 ZINC000584631654 358314021 /nfs/dbraw/zinc/31/40/21/358314021.db2.gz ICUIFJSALYQOQF-QWHCGFSZSA-N 0 3 205.301 2.062 10 0 BEAEHN CCN(CC)C[C@H]1NCCc2ccccc21 ZINC000043595893 358383748 /nfs/dbraw/zinc/38/37/48/358383748.db2.gz UBXTZNJBPNHZMM-CQSZACIVSA-N 0 3 218.344 2.215 10 0 BEAEHN CC(C)CC[C@](C)(O)CNCc1cncs1 ZINC000124317115 358516013 /nfs/dbraw/zinc/51/60/13/358516013.db2.gz KPSDVPYSUZICAQ-LBPRGKRZSA-N 0 3 242.388 2.420 10 0 BEAEHN CC[C@@H](COC)N[C@@H](CO)c1sccc1C ZINC000130453499 358626673 /nfs/dbraw/zinc/62/66/73/358626673.db2.gz OYOMEPGBEVEQSV-QWRGUYRKSA-N 0 3 243.372 2.105 10 0 BEAEHN ClC(Cl)=CCN[C@@H]1CCSC1 ZINC000403334975 358628865 /nfs/dbraw/zinc/62/88/65/358628865.db2.gz BAKKVXQRRJCLTM-ZCFIWIBFSA-N 0 3 212.145 2.401 10 0 BEAEHN COC(=O)c1coc(CN[C@@H]2CC[C@@H](C)C2)c1 ZINC000131277161 358667016 /nfs/dbraw/zinc/66/70/16/358667016.db2.gz QDIUKKIPIGMVOJ-MWLCHTKSSA-N 0 3 237.299 2.344 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1ccsc1 ZINC000035719297 358687058 /nfs/dbraw/zinc/68/70/58/358687058.db2.gz IPPDDKBUZWGLRS-MWLCHTKSSA-N 0 3 240.372 2.080 10 0 BEAEHN CC[C@H](C)CN[C@H](C)c1nnc2n1CCCC2 ZINC000133573710 358759883 /nfs/dbraw/zinc/75/98/83/358759883.db2.gz CDBFUOAUPHOMHO-WDEREUQCSA-N 0 3 236.363 2.311 10 0 BEAEHN CC[C@@H](N[C@H]1CCCNC1=O)c1cccs1 ZINC000050394689 358726382 /nfs/dbraw/zinc/72/63/82/358726382.db2.gz RESAWFSTGDUSGT-ZJUUUORDSA-N 0 3 238.356 2.067 10 0 BEAEHN COc1ccc(C)cc1CN[C@H]1CCO[C@H]1C ZINC000134242641 358783738 /nfs/dbraw/zinc/78/37/38/358783738.db2.gz VFJULZNEUVWAFL-AAEUAGOBSA-N 0 3 235.327 2.271 10 0 BEAEHN C[C@@H]1CN[C@@H]([C@H]2CCCSC2)SC1 ZINC000306150606 358872616 /nfs/dbraw/zinc/87/26/16/358872616.db2.gz DHEMKTQGVNWGFL-KXUCPTDWSA-N 0 3 217.403 2.428 10 0 BEAEHN CC[C@@H]1CS[C@]2(CCS[C@H]2C)N1 ZINC000300353231 358971569 /nfs/dbraw/zinc/97/15/69/358971569.db2.gz VGVCEIYONFTCIS-YIZRAAEISA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@H]1SCC[C@@]12N[C@H](C)CCS2 ZINC000300353915 358971657 /nfs/dbraw/zinc/97/16/57/358971657.db2.gz ZOCHYJOOHQLBNQ-HLTSFMKQSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@@H]1SCC[C@@]12N[C@H](C)CCS2 ZINC000300353920 358972053 /nfs/dbraw/zinc/97/20/53/358972053.db2.gz ZOCHYJOOHQLBNQ-VGMNWLOBSA-N 0 3 203.376 2.323 10 0 BEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC1CC1 ZINC000177706787 134301928 /nfs/dbraw/zinc/30/19/28/134301928.db2.gz MQCVKTGYTCDIIO-AGIUHOORSA-N 0 3 237.343 2.203 10 0 BEAEHN COCCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000246472106 359110965 /nfs/dbraw/zinc/11/09/65/359110965.db2.gz ZWJDXYGWDNBOHP-OLZOCXBDSA-N 0 3 227.348 2.056 10 0 BEAEHN CC[C@H](O)CN1CCC[C@H]1c1ccco1 ZINC000247049934 359191946 /nfs/dbraw/zinc/19/19/46/359191946.db2.gz OMPAAYDBFXWUNV-QWRGUYRKSA-N 0 3 209.289 2.187 10 0 BEAEHN c1c[nH]c(CNC[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)n1 ZINC000246745621 359161377 /nfs/dbraw/zinc/16/13/77/359161377.db2.gz GXXKKMASGIFXCM-VNHYZAJKSA-N 0 3 239.322 2.085 10 0 BEAEHN CSCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000247122356 359195708 /nfs/dbraw/zinc/19/57/08/359195708.db2.gz YWHGKLPVQQPMAZ-NEPJUHHUSA-N 0 3 229.389 2.383 10 0 BEAEHN C[C@@H](c1ccccc1)N1CCO[C@@H](CN(C)C)C1 ZINC000247215528 359202278 /nfs/dbraw/zinc/20/22/78/359202278.db2.gz QBTIMEJJLHPLGP-ZFWWWQNUSA-N 0 3 248.370 2.010 10 0 BEAEHN Cc1ccc(CN[C@@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000247479195 359222979 /nfs/dbraw/zinc/22/29/79/359222979.db2.gz VZBLLNPKQPHVSA-BXUZGUMPSA-N 0 3 236.359 2.406 10 0 BEAEHN O=C(c1ccsc1Cl)[C@H]1CCCN1 ZINC000306219436 359338182 /nfs/dbraw/zinc/33/81/82/359338182.db2.gz PYASAXHBJPSQFA-SSDOTTSWSA-N 0 3 215.705 2.336 10 0 BEAEHN C[C@H]1CNC2(C[C@H]3CC[C@@H](C2)S3)S1 ZINC000403581283 359555239 /nfs/dbraw/zinc/55/52/39/359555239.db2.gz KKKGGXAIKPWCKD-IZJGZUANSA-N 0 3 215.387 2.466 10 0 BEAEHN CC1Oc2c(cc(Cl)cc2F)C1=O ZINC000306325533 359608712 /nfs/dbraw/zinc/60/87/12/359608712.db2.gz HQTFBKMCPPVCCD-SCSAIBSYSA-N 0 3 200.596 2.443 10 0 BEAEHN CC(C)n1cc(CNCC[C@@H]2CCCO2)cn1 ZINC000226240598 359621868 /nfs/dbraw/zinc/62/18/68/359621868.db2.gz LBPXIPWKWHQKCT-ZDUSSCGKSA-N 0 3 237.347 2.123 10 0 BEAEHN CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](C)C1)N(C)C ZINC000245862472 325531051 /nfs/dbraw/zinc/53/10/51/325531051.db2.gz FPNGPWQDPDNFJK-FRRDWIJNSA-N 0 3 240.391 2.221 10 0 BEAEHN CC[C@H]1CCSC(N[C@@H]2CCSC2)=N1 ZINC000231359889 359915028 /nfs/dbraw/zinc/91/50/28/359915028.db2.gz VSYYQRVZJXNFKU-DTWKUNHWSA-N 0 3 230.402 2.353 10 0 BEAEHN CSC1([C@@H]2NC[C@H](C)CS2)CC1 ZINC000306446622 360011703 /nfs/dbraw/zinc/01/17/03/360011703.db2.gz BOXSHDNABCMLLV-JGVFFNPUSA-N 0 3 203.376 2.181 10 0 BEAEHN FC(F)(F)[C@H]1CC[C@H]1NC1CSC1 ZINC000306449333 360015690 /nfs/dbraw/zinc/01/56/90/360015690.db2.gz YDALIYLCYSILGP-NKWVEPMBSA-N 0 3 211.252 2.032 10 0 BEAEHN C[C@@H](NCC1CCC(C)CC1)c1nncn1C ZINC000089575941 360027481 /nfs/dbraw/zinc/02/74/81/360027481.db2.gz JVSMQYWLBLXYBZ-MOENNCHZSA-N 0 3 236.363 2.292 10 0 BEAEHN CC[C@H](C)[C@@H](C)N[C@@H]1CCCn2nc(C)nc21 ZINC000090226096 360066838 /nfs/dbraw/zinc/06/68/38/360066838.db2.gz BNDNFGLXJLRDRR-HOSYDEDBSA-N 0 3 236.363 2.446 10 0 BEAEHN CC[C@H](N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226988 360067059 /nfs/dbraw/zinc/06/70/59/360067059.db2.gz YLHPKPCNJKBTNI-RYUDHWBXSA-N 0 3 236.363 2.446 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C(C)(C)C ZINC000090224334 360067222 /nfs/dbraw/zinc/06/72/22/360067222.db2.gz BCWFWXOBROBEFR-ONGXEEELSA-N 0 3 236.363 2.446 10 0 BEAEHN Cc1oncc1[C@@H](C)N[C@H]1CCSC1 ZINC000306476097 360110238 /nfs/dbraw/zinc/11/02/38/360110238.db2.gz XPFYGTRLNZHICX-APPZFPTMSA-N 0 3 212.318 2.139 10 0 BEAEHN Cc1oncc1[C@@H](C)N[C@@H]1CCSC1 ZINC000306476100 360110550 /nfs/dbraw/zinc/11/05/50/360110550.db2.gz XPFYGTRLNZHICX-VXNVDRBHSA-N 0 3 212.318 2.139 10 0 BEAEHN CC[C@@H](C)CN[C@@H]1CCCn2c(C)nnc21 ZINC000093079924 360214890 /nfs/dbraw/zinc/21/48/90/360214890.db2.gz UIZSFFBQYPWYGA-MWLCHTKSSA-N 0 3 222.336 2.057 10 0 BEAEHN CCO[C@H]1C[C@@H](NC2COC2)C12CCCCC2 ZINC000094710079 360316411 /nfs/dbraw/zinc/31/64/11/360316411.db2.gz MQPRFZHQCYLRCW-OLZOCXBDSA-N 0 3 239.359 2.103 10 0 BEAEHN CCN1C[C@H](C)[C@H](NCc2ccc(Cl)o2)C1 ZINC000309426250 491149062 /nfs/dbraw/zinc/14/90/62/491149062.db2.gz FHRHNPWWNVNHDG-GXSJLCMTSA-N 0 3 242.750 2.363 10 0 BEAEHN C[C@H]1C[C@H]1NCc1ccc(Br)nc1 ZINC000306551424 360424746 /nfs/dbraw/zinc/42/47/46/360424746.db2.gz AJIOOVNHBRHWHD-IONNQARKSA-N 0 3 241.132 2.342 10 0 BEAEHN N[C@H](C[C@@H]1CCOC1)c1sccc1F ZINC000306586401 360484916 /nfs/dbraw/zinc/48/49/16/360484916.db2.gz RIFZWSMFKXXUSQ-IONNQARKSA-N 0 3 215.293 2.314 10 0 BEAEHN CC1(C)[C@H](N)[C@@H]1c1occc1Br ZINC000300783134 360502642 /nfs/dbraw/zinc/50/26/42/360502642.db2.gz VSBLRHNQQWOQKM-POYBYMJQSA-N 0 3 230.105 2.493 10 0 BEAEHN N[C@@H](C[C@@H]1CCCCO1)c1ccns1 ZINC000306592127 360509909 /nfs/dbraw/zinc/50/99/09/360509909.db2.gz WBXCFXLXNIPESB-IUCAKERBSA-N 0 3 212.318 2.102 10 0 BEAEHN CCc1csc(N[C@H]2CN(CC)C[C@H]2C)n1 ZINC000309463589 491149721 /nfs/dbraw/zinc/14/97/21/491149721.db2.gz OQEOTKCTUINMJL-KOLCDFICSA-N 0 3 239.388 2.458 10 0 BEAEHN NC[C@@H](c1sccc1Cl)N1CCCC1 ZINC000306613250 361081039 /nfs/dbraw/zinc/08/10/39/361081039.db2.gz KLEFGPSFXZNDRH-VIFPVBQESA-N 0 3 230.764 2.497 10 0 BEAEHN CC(C)C[C@@H](N)c1cc(Cl)cnc1N ZINC000069943511 361174513 /nfs/dbraw/zinc/17/45/13/361174513.db2.gz XYYHNNVXWTZYKB-SECBINFHSA-N 0 3 213.712 2.363 10 0 BEAEHN NC1(C(=O)NCCC2=CCCCC2)CCCC1 ZINC000037616144 181326131 /nfs/dbraw/zinc/32/61/31/181326131.db2.gz RFWCQEIFDAYOQU-UHFFFAOYSA-N 0 3 236.359 2.265 10 0 BEAEHN Cc1csc(C2(N)CCSCC2)n1 ZINC000041059814 361222482 /nfs/dbraw/zinc/22/24/82/361222482.db2.gz ILNSKLSIMZOHTH-UHFFFAOYSA-N 0 3 214.359 2.133 10 0 BEAEHN Cc1nc(CN[C@@H]2CCCC[C@H]2CO)cs1 ZINC000152323083 201196080 /nfs/dbraw/zinc/19/60/80/201196080.db2.gz ZIXNKIKPAWVXBH-CMPLNLGQSA-N 0 3 240.372 2.092 10 0 BEAEHN C[C@H]1C[C@]1(N)c1ccncc1Br ZINC000306637882 361584927 /nfs/dbraw/zinc/58/49/27/361584927.db2.gz MPNVPPYKUXDUTH-IMTBSYHQSA-N 0 3 227.105 2.038 10 0 BEAEHN C[C@H]1C[C@@]1(N)c1ccncc1Br ZINC000306637884 361585673 /nfs/dbraw/zinc/58/56/73/361585673.db2.gz MPNVPPYKUXDUTH-RCOVLWMOSA-N 0 3 227.105 2.038 10 0 BEAEHN CN(C[C@@H]1CC(C)(C)CCC1=O)C1CC1 ZINC000070655063 361697402 /nfs/dbraw/zinc/69/74/02/361697402.db2.gz LAMPMADOSRNRAE-JTQLQIEISA-N 0 3 209.333 2.476 10 0 BEAEHN CN(C[C@H]1CC(C)(C)CCC1=O)C1CC1 ZINC000070655064 361697673 /nfs/dbraw/zinc/69/76/73/361697673.db2.gz LAMPMADOSRNRAE-SNVBAGLBSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@@H]1C[C@H]1N[C@H]1CCCc2cccnc21 ZINC000252548977 541450459 /nfs/dbraw/zinc/45/04/59/541450459.db2.gz NFINELIEMYHCAE-ADEWGFFLSA-N 0 3 202.301 2.457 10 0 BEAEHN CC(C)(O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000171438864 365200263 /nfs/dbraw/zinc/20/02/63/365200263.db2.gz PWWWDKJUAVFTFS-UHFFFAOYSA-N 0 3 247.338 2.252 10 0 BEAEHN CC[C@H](C)[C@@H](C)NCc1nnc(C2CC2)n1C ZINC000183061919 366972261 /nfs/dbraw/zinc/97/22/61/366972261.db2.gz SHYNYFMHLUBDKX-VHSXEESVSA-N 0 3 236.363 2.217 10 0 BEAEHN CCN1CC[C@H](NCc2csc(C)c2)C1 ZINC000381315551 367379939 /nfs/dbraw/zinc/37/99/39/367379939.db2.gz UZRCNCQHYQJITL-LBPRGKRZSA-N 0 3 224.373 2.240 10 0 BEAEHN C[C@H]1OCC[C@H]1NC/C=C\c1ccccc1 ZINC000381977715 367475375 /nfs/dbraw/zinc/47/53/75/367475375.db2.gz APPSUDURCUISPS-GPTAZTBJSA-N 0 3 217.312 2.467 10 0 BEAEHN CC(=O)Nc1cccc(C(=O)[C@@H](C)NC(C)C)c1 ZINC000033638439 368320648 /nfs/dbraw/zinc/32/06/48/368320648.db2.gz CIYUJYPWSOZEMA-SNVBAGLBSA-N 0 3 248.326 2.214 10 0 BEAEHN CCOc1cccc(N2CCNCC2)c1Cl ZINC000165169902 368352676 /nfs/dbraw/zinc/35/26/76/368352676.db2.gz FEOQTTMZIFCPCX-UHFFFAOYSA-N 0 3 240.734 2.148 10 0 BEAEHN c1cncc(-c2ccnc3c2CNCCCO3)c1 ZINC000224757554 368366350 /nfs/dbraw/zinc/36/63/50/368366350.db2.gz LKJFTOBDZBQQNB-UHFFFAOYSA-N 0 3 241.294 2.016 10 0 BEAEHN C[C@H]([C@H]1COc2ccccc2O1)N1CCCC1 ZINC000001843854 368707957 /nfs/dbraw/zinc/70/79/57/368707957.db2.gz KAXULGXUSBBIMN-BXUZGUMPSA-N 0 3 233.311 2.311 10 0 BEAEHN CC[C@@H](O)C1(c2cccc(O)c2)CCN(C)CC1 ZINC000082312291 368671523 /nfs/dbraw/zinc/67/15/23/368671523.db2.gz CUWNYXLTWXEDNK-CQSZACIVSA-N 0 3 249.354 2.127 10 0 BEAEHN CN1CCC(N2CCCc3cc(N)ccc32)CC1 ZINC000084828368 368858872 /nfs/dbraw/zinc/85/88/72/368858872.db2.gz CHJOVBOVRDCCEX-UHFFFAOYSA-N 0 3 245.370 2.116 10 0 BEAEHN CCC[C@H](N)C(=O)NCc1csc(C)c1C ZINC000399943096 368936361 /nfs/dbraw/zinc/93/63/61/368936361.db2.gz VHPVHKSHNJVEIZ-NSHDSACASA-N 0 3 240.372 2.109 10 0 BEAEHN CCC[C@@H](N)C(=O)NCc1csc(C)c1C ZINC000399943094 368936376 /nfs/dbraw/zinc/93/63/76/368936376.db2.gz VHPVHKSHNJVEIZ-LLVKDONJSA-N 0 3 240.372 2.109 10 0 BEAEHN CC(C)c1nnc(CN[C@H](C)C(C)(C)C)n1C ZINC000114475243 368942550 /nfs/dbraw/zinc/94/25/50/368942550.db2.gz FJCFDVRABDKGRG-SNVBAGLBSA-N 0 3 238.379 2.463 10 0 BEAEHN CCC[C@@H](C(=O)N(C)CC1CCCC1)N(C)C ZINC000155154342 326186798 /nfs/dbraw/zinc/18/67/98/326186798.db2.gz BBUOYSJQBFZINI-ZDUSSCGKSA-N 0 3 240.391 2.365 10 0 BEAEHN C[C@H]1C[C@@](O)(c2cccs2)CCN1C ZINC000107151974 369310425 /nfs/dbraw/zinc/31/04/25/369310425.db2.gz XBHAEMOWEVBSCR-GXSJLCMTSA-N 0 3 211.330 2.050 10 0 BEAEHN CCc1nnc(CNC2(C3CCC3)CCC2)n1C ZINC000459753462 203356451 /nfs/dbraw/zinc/35/64/51/203356451.db2.gz CJNYKYGUYYJDSI-UHFFFAOYSA-N 0 3 248.374 2.190 10 0 BEAEHN NCc1ccc([C@H](O)c2ccccc2)s1 ZINC000075468529 181486602 /nfs/dbraw/zinc/48/66/02/181486602.db2.gz AZXLOZAAYFBNOG-GFCCVEGCSA-N 0 3 219.309 2.289 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1cncc(Cl)c1 ZINC000621297451 370224676 /nfs/dbraw/zinc/22/46/76/370224676.db2.gz OIFGUZSVNSRWGX-LDYMZIIASA-N 0 3 226.707 2.002 10 0 BEAEHN N[C@H]1CCOc2c(Cl)ccc(F)c21 ZINC000095638972 181653193 /nfs/dbraw/zinc/65/31/93/181653193.db2.gz REXMYOGKXMUMRV-ZETCQYMHSA-N 0 3 201.628 2.261 10 0 BEAEHN CC[C@H]1CN=C(NC[C@@H]2CCCS2)S1 ZINC000230009677 371632942 /nfs/dbraw/zinc/63/29/42/371632942.db2.gz QHHAPCWDQSYKOY-IUCAKERBSA-N 0 3 230.402 2.353 10 0 BEAEHN C[C@H](N)c1csc(N2CC[C@@H](C)C2)n1 ZINC000226917479 371757699 /nfs/dbraw/zinc/75/76/99/371757699.db2.gz BGXWEWPXKDWAIS-SFYZADRCSA-N 0 3 211.334 2.009 10 0 BEAEHN CCCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000132182535 371761035 /nfs/dbraw/zinc/76/10/35/371761035.db2.gz ZQVNRTLEIMXIII-CQSZACIVSA-N 0 3 248.370 2.076 10 0 BEAEHN O=C1CCC[C@@H]1[C@H]1CCCCN1CCF ZINC000227321535 371831992 /nfs/dbraw/zinc/83/19/92/371831992.db2.gz KFPPBSBDMVQADF-GHMZBOCLSA-N 0 3 213.296 2.180 10 0 BEAEHN CN([C@H]1CCSC1)[C@@H]1CCCCCC1=O ZINC000057896098 371927225 /nfs/dbraw/zinc/92/72/25/371927225.db2.gz TWJLVFWRYMETTG-WDEREUQCSA-N 0 3 227.373 2.326 10 0 BEAEHN NCc1ccc(F)c(F)c1OC(F)F ZINC000306583905 372040454 /nfs/dbraw/zinc/04/04/54/372040454.db2.gz RHPCAYZTHYCFIY-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN C[C@@H]1CCSC(NC[C@@H]2CCCS2)=N1 ZINC000133718248 372094591 /nfs/dbraw/zinc/09/45/91/372094591.db2.gz VXRIQZBIAYHWQN-BDAKNGLRSA-N 0 3 230.402 2.353 10 0 BEAEHN CSC[C@@H](N)c1cccc(F)c1F ZINC000069640926 373563737 /nfs/dbraw/zinc/56/37/37/373563737.db2.gz AMRCUYVSKPELOS-MRVPVSSYSA-N 0 3 203.257 2.328 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1ccc(F)c(Cl)c1 ZINC000002511942 170230890 /nfs/dbraw/zinc/23/08/90/170230890.db2.gz NZSSRNYURUYGPR-SNVBAGLBSA-N 0 3 245.681 2.432 10 0 BEAEHN Cc1noc([C@H]2CCCN(C3CCC3)C2)n1 ZINC000178984869 134314078 /nfs/dbraw/zinc/31/40/78/134314078.db2.gz PRRNOATUGLUXRW-JTQLQIEISA-N 0 3 221.304 2.110 10 0 BEAEHN OCC1(NCc2ccc(C3CC3)cc2)CC1 ZINC000126340791 183038131 /nfs/dbraw/zinc/03/81/31/183038131.db2.gz UOJKWJLJHNVFFH-UHFFFAOYSA-N 0 3 217.312 2.179 10 0 BEAEHN OCC1(NCc2cccc(C3CC3)c2)CC1 ZINC000126335959 183038295 /nfs/dbraw/zinc/03/82/95/183038295.db2.gz RLZZPZRVGXDSIN-UHFFFAOYSA-N 0 3 217.312 2.179 10 0 BEAEHN CCCC[C@H](N)C(=O)N(C)Cc1ccc(C)o1 ZINC000037619434 169005446 /nfs/dbraw/zinc/00/54/46/169005446.db2.gz ILPNGACFHGDKFC-LBPRGKRZSA-N 0 3 238.331 2.064 10 0 BEAEHN CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000037823983 169006506 /nfs/dbraw/zinc/00/65/06/169006506.db2.gz OEYVZMHFDIWEJE-YPMHNXCESA-N 0 3 249.358 2.119 10 0 BEAEHN CCCCc1ccc([C@@H](C)NC(=O)CN)cc1 ZINC000107290021 169022555 /nfs/dbraw/zinc/02/25/55/169022555.db2.gz CAHFAEBJUVWULZ-LLVKDONJSA-N 0 3 234.343 2.165 10 0 BEAEHN OC[C@H](N[C@@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001974 183140661 /nfs/dbraw/zinc/14/06/61/183140661.db2.gz JOFLEIBODMZXIG-ILXRZTDVSA-N 0 3 249.354 2.003 10 0 BEAEHN OC[C@H](N[C@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001976 183141076 /nfs/dbraw/zinc/14/10/76/183141076.db2.gz JOFLEIBODMZXIG-KKUMJFAQSA-N 0 3 249.354 2.003 10 0 BEAEHN OCc1cc(N(CC(F)(F)F)C2CC2)ccn1 ZINC000042779257 183162110 /nfs/dbraw/zinc/16/21/10/183162110.db2.gz CEZMVMVADFNKNY-UHFFFAOYSA-N 0 3 246.232 2.105 10 0 BEAEHN OCc1ccc(CNCCC2=CCCC2)o1 ZINC000125981175 183164265 /nfs/dbraw/zinc/16/42/65/183164265.db2.gz JOCMLMWIKNNSTG-UHFFFAOYSA-N 0 3 221.300 2.362 10 0 BEAEHN O[C@@H]1CCc2c1cccc2OCCN1CCCC1 ZINC000062800433 183206942 /nfs/dbraw/zinc/20/69/42/183206942.db2.gz LAACCLJOUSSEKO-CQSZACIVSA-N 0 3 247.338 2.141 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1NCc1ccsc1 ZINC000051991027 183188978 /nfs/dbraw/zinc/18/89/78/183188978.db2.gz ARIAYECEEDYYHG-WDEREUQCSA-N 0 3 211.330 2.141 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1N1CCc2c(F)cccc2C1 ZINC000270504733 183189784 /nfs/dbraw/zinc/18/97/84/183189784.db2.gz IOJNABXQWLBDSB-LSDHHAIUSA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC000089163067 183194950 /nfs/dbraw/zinc/19/49/50/183194950.db2.gz WABSSMPUWXRYGK-ZWNOBZJWSA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1c(F)cccc1F ZINC000089160651 183238194 /nfs/dbraw/zinc/23/81/94/183238194.db2.gz BWMGWHIKGXYFSS-ZANVPECISA-N 0 3 241.281 2.215 10 0 BEAEHN O[C@H]1c2ccccc2OC[C@H]1N1CCCCCC1 ZINC000044118080 183250718 /nfs/dbraw/zinc/25/07/18/183250718.db2.gz XCDLIDGAXCYDRT-HIFRSBDPSA-N 0 3 247.338 2.357 10 0 BEAEHN O[C@H]1CCCC[C@H]1N1CCc2cccc(F)c2C1 ZINC000157954859 183232972 /nfs/dbraw/zinc/23/29/72/183232972.db2.gz AJBLDZCLBXEJJM-CABCVRRESA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1ccc(F)cc1F ZINC000051017285 183233730 /nfs/dbraw/zinc/23/37/30/183233730.db2.gz JHFJIAYKZJCHAW-OLZOCXBDSA-N 0 3 241.281 2.358 10 0 BEAEHN Oc1ccc(CNc2ccncc2)cc1 ZINC000083343369 183272046 /nfs/dbraw/zinc/27/20/46/183272046.db2.gz QJADLAMLJVFBJW-UHFFFAOYSA-N 0 3 200.241 2.399 10 0 BEAEHN Oc1ccc2[nH]c([C@@H]3CCCCN3)nc2c1 ZINC000076006751 183279108 /nfs/dbraw/zinc/27/91/08/183279108.db2.gz GYEOYAYBTYVAAD-JTQLQIEISA-N 0 3 217.272 2.083 10 0 BEAEHN Oc1ccc2c(c1)CCN[C@@H]2c1ccncc1 ZINC000033914241 183280085 /nfs/dbraw/zinc/28/00/85/183280085.db2.gz BUDRBFIGEXCTEJ-CQSZACIVSA-N 0 3 226.279 2.022 10 0 BEAEHN CCCN(CCN(C)C)[C@@H]1CCCCCC1=O ZINC000045664209 169158755 /nfs/dbraw/zinc/15/87/55/169158755.db2.gz IIAAQNSEWHTJPI-CYBMUJFWSA-N 0 3 240.391 2.162 10 0 BEAEHN CCCN1CCN(Cc2ccc(N)c(C)c2)CC1 ZINC000020073807 169203499 /nfs/dbraw/zinc/20/34/99/169203499.db2.gz SXQJIAIJPKWJBQ-UHFFFAOYSA-N 0 3 247.386 2.105 10 0 BEAEHN CCCNC(=O)CNCC[C@H](C)c1ccccc1 ZINC000043533471 169226540 /nfs/dbraw/zinc/22/65/40/169226540.db2.gz FLPFWDSMLYTOGD-ZDUSSCGKSA-N 0 3 248.370 2.296 10 0 BEAEHN c1cc(CNCC2CCCCC2)ncn1 ZINC000054788930 183350346 /nfs/dbraw/zinc/35/03/46/183350346.db2.gz SGWLNUDHSHZHRB-UHFFFAOYSA-N 0 3 205.305 2.147 10 0 BEAEHN CCCNCC(=O)c1cc(C)c(C)cc1OC ZINC000049827492 169256243 /nfs/dbraw/zinc/25/62/43/169256243.db2.gz UOJPDDQBFVCMKK-UHFFFAOYSA-N 0 3 235.327 2.494 10 0 BEAEHN c1cc(C[C@@H]2CC3CCN2CC3)cc2c1OCO2 ZINC000000213429 183369026 /nfs/dbraw/zinc/36/90/26/183369026.db2.gz UJGYSUWZJIHQPA-ZDUSSCGKSA-N 0 3 245.322 2.442 10 0 BEAEHN c1cc(C2CCCC2)nc2c1CNCCO2 ZINC000085210338 183372035 /nfs/dbraw/zinc/37/20/35/183372035.db2.gz DWLALWWYRGBVLC-UHFFFAOYSA-N 0 3 218.300 2.221 10 0 BEAEHN CCCN[C@H](CC1CCOCC1)c1ncccn1 ZINC000053829294 169289044 /nfs/dbraw/zinc/28/90/44/169289044.db2.gz ABROAGQRSLMNOD-CYBMUJFWSA-N 0 3 249.358 2.334 10 0 BEAEHN CCCNCc1c[nH]c(-c2cc(C)ccn2)n1 ZINC000104429249 169265973 /nfs/dbraw/zinc/26/59/73/169265973.db2.gz SMLUIRXUWLQSLJ-UHFFFAOYSA-N 0 3 230.315 2.280 10 0 BEAEHN CCCN[C@@H](CC1CCOCC1)c1ncccn1 ZINC000053829293 169278019 /nfs/dbraw/zinc/27/80/19/169278019.db2.gz ABROAGQRSLMNOD-ZDUSSCGKSA-N 0 3 249.358 2.334 10 0 BEAEHN CCCN[C@@H]1COc2c1cc(C)cc2OC ZINC000035652542 169283470 /nfs/dbraw/zinc/28/34/70/169283470.db2.gz DZGRSOVNCBQJIZ-LLVKDONJSA-N 0 3 221.300 2.437 10 0 BEAEHN CCCOc1cc(OC)ccc1CNC ZINC000019776968 169315455 /nfs/dbraw/zinc/31/54/55/169315455.db2.gz RXXILCXIVGGPJB-UHFFFAOYSA-N 0 3 209.289 2.203 10 0 BEAEHN CCCN[C@H]1COc2c1cc(F)cc2F ZINC000035653403 169292191 /nfs/dbraw/zinc/29/21/91/169292191.db2.gz ZXWCBLWJHHHWOS-JTQLQIEISA-N 0 3 213.227 2.398 10 0 BEAEHN CCCN[C@H]1COc2ccc(CCOC)cc21 ZINC000035657672 169292209 /nfs/dbraw/zinc/29/22/09/169292209.db2.gz TWKANWSMHVLOGH-ZDUSSCGKSA-N 0 3 235.327 2.309 10 0 BEAEHN CCCN[C@H]1COc2c1cccc2OC ZINC000035652575 169292649 /nfs/dbraw/zinc/29/26/49/169292649.db2.gz YJCGHWIIAAYJGU-JTQLQIEISA-N 0 3 207.273 2.128 10 0 BEAEHN CCCOc1ccccc1CNCCN(C)C ZINC000020967291 169326555 /nfs/dbraw/zinc/32/65/55/169326555.db2.gz UBONZPYZSJYLNA-UHFFFAOYSA-N 0 3 236.359 2.127 10 0 BEAEHN CCCOc1nc(C(=N)N)cc2ccccc21 ZINC000067173646 169327925 /nfs/dbraw/zinc/32/79/25/169327925.db2.gz AOLAVNJVZJVERV-UHFFFAOYSA-N 0 3 229.283 2.308 10 0 BEAEHN CCC[C@@H](C)N(C)c1c(CNC)c(C)nn1C ZINC000036791396 169366294 /nfs/dbraw/zinc/36/62/94/169366294.db2.gz GXHHNVSSCWXHPK-SNVBAGLBSA-N 0 3 238.379 2.073 10 0 BEAEHN CCC[C@@H](C)C(=O)N[C@H](CN)c1ccccc1 ZINC000104319333 169352265 /nfs/dbraw/zinc/35/22/65/169352265.db2.gz LDTBSLAGJOVYIP-DGCLKSJQSA-N 0 3 234.343 2.239 10 0 BEAEHN CCC[C@@H](C)N(C)CC(=O)Nc1ccccc1N ZINC000036789820 169364109 /nfs/dbraw/zinc/36/41/09/169364109.db2.gz FJRIUNGSXYSEAW-LLVKDONJSA-N 0 3 249.358 2.328 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1cc(F)cc(F)c1F ZINC000061118950 169392244 /nfs/dbraw/zinc/39/22/44/169392244.db2.gz JOIPBCLWFOCVFW-MRVPVSSYSA-N 0 3 246.232 2.170 10 0 BEAEHN CCC[C@@H](N)c1nc(-c2ccco2)c[nH]1 ZINC000036873858 169393518 /nfs/dbraw/zinc/39/35/18/169393518.db2.gz ZZQHAEMVMQRTSY-MRVPVSSYSA-N 0 3 205.261 2.470 10 0 BEAEHN Cc1cc(CN2C[C@H](C)C[C@@H](O)C2)cs1 ZINC000334733870 383857686 /nfs/dbraw/zinc/85/76/86/383857686.db2.gz ZVIMXQIDLQUTQF-BXKDBHETSA-N 0 3 225.357 2.259 10 0 BEAEHN NC[C@@H]1OCCc2c(Br)scc21 ZINC000090397771 384045590 /nfs/dbraw/zinc/04/55/90/384045590.db2.gz JPULNNSJRQZWLJ-ZETCQYMHSA-N 0 3 248.145 2.083 10 0 BEAEHN CO[C@H](CN1CCC[C@H](O)[C@H]1C)c1ccccc1 ZINC000296313994 384047130 /nfs/dbraw/zinc/04/71/30/384047130.db2.gz PXAWWJKHSWNMEW-VHDGCEQUSA-N 0 3 249.354 2.219 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CCN(C)C2=O)cc1C ZINC000116390571 384133246 /nfs/dbraw/zinc/13/32/46/384133246.db2.gz WXQGRMQGPPSJJK-JSGCOSHPSA-N 0 3 246.354 2.185 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@H]2CCN(C)C2=O)cc1C ZINC000116390568 384134651 /nfs/dbraw/zinc/13/46/51/384134651.db2.gz WXQGRMQGPPSJJK-OCCSQVGLSA-N 0 3 246.354 2.185 10 0 BEAEHN CC(C)=CCN1CC[C@H](c2cnn(C)c2)C1 ZINC000116312732 384128156 /nfs/dbraw/zinc/12/81/56/384128156.db2.gz WXOKVVOUVKAAFD-LBPRGKRZSA-N 0 3 219.332 2.176 10 0 BEAEHN O=C(c1ccc(Cl)s1)[C@@H]1CCCN1 ZINC000036159323 384162259 /nfs/dbraw/zinc/16/22/59/384162259.db2.gz YCRJDEPDOOIAKJ-LURJTMIESA-N 0 3 215.705 2.336 10 0 BEAEHN C[C@@H](N[C@@H](C)c1ccc(F)cn1)[C@@H]1CCCO1 ZINC000092195571 384167573 /nfs/dbraw/zinc/16/75/73/384167573.db2.gz PHAXSFRYJUURLX-CWSCBRNRSA-N 0 3 238.306 2.439 10 0 BEAEHN CC[C@@H](NC1CC(C)C1)c1nccn1C ZINC000132294723 384184604 /nfs/dbraw/zinc/18/46/04/384184604.db2.gz OJYNPHMYJYBDET-VQXHTEKXSA-N 0 3 207.321 2.259 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1cccc(F)c1 ZINC000119398926 384266899 /nfs/dbraw/zinc/26/68/99/384266899.db2.gz FEOIESCLPUMDPC-ZDUSSCGKSA-N 0 3 225.307 2.419 10 0 BEAEHN C[C@H](CO)[C@H](C)N[C@@H](C)c1ccccc1F ZINC000134123736 384333596 /nfs/dbraw/zinc/33/35/96/384333596.db2.gz OLEZZXWKRHSMOL-VWYCJHECSA-N 0 3 225.307 2.493 10 0 BEAEHN N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000095829030 384400963 /nfs/dbraw/zinc/40/09/63/384400963.db2.gz BCHBZNOWZZEHFX-NSHDSACASA-N 0 3 205.305 2.334 10 0 BEAEHN CC(C)c1ccc(CON2CCNCC2)cc1 ZINC000095934602 384413052 /nfs/dbraw/zinc/41/30/52/384413052.db2.gz RTHYPNOOQAHNAO-UHFFFAOYSA-N 0 3 234.343 2.147 10 0 BEAEHN C[C@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000120895611 384385647 /nfs/dbraw/zinc/38/56/47/384385647.db2.gz QGNFFFAOPIKKSO-JSGCOSHPSA-N 0 3 246.354 2.001 10 0 BEAEHN CCCC(=O)N[C@H]1CCCN([C@@H](C)CC)C1 ZINC000181119363 384450187 /nfs/dbraw/zinc/45/01/87/384450187.db2.gz JJMCZALUEREYPX-RYUDHWBXSA-N 0 3 226.364 2.166 10 0 BEAEHN c1cnn(CC2CCN(Cc3ccco3)CC2)c1 ZINC000122045393 384453228 /nfs/dbraw/zinc/45/32/28/384453228.db2.gz YDMFHWHMJDQIAF-UHFFFAOYSA-N 0 3 245.326 2.388 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cn2cc(Cl)ccc2n1 ZINC000096543938 384468007 /nfs/dbraw/zinc/46/80/07/384468007.db2.gz SIIUOEUBYMJLQG-LDYMZIIASA-N 0 3 235.718 2.486 10 0 BEAEHN FCCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000137427716 384530929 /nfs/dbraw/zinc/53/09/29/384530929.db2.gz YMFFOERCHJEJHF-NSHDSACASA-N 0 3 211.284 2.296 10 0 BEAEHN C[C@@H](N)c1cnc([C@@H]2CCSC2)s1 ZINC000258279422 384552228 /nfs/dbraw/zinc/55/22/28/384552228.db2.gz YKBMSSGTCQSPEW-RNFRBKRXSA-N 0 3 214.359 2.383 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000052395581 384537328 /nfs/dbraw/zinc/53/73/28/384537328.db2.gz GCDBAWMXZHLTPJ-MRVPVSSYSA-N 0 3 226.707 2.195 10 0 BEAEHN Cc1ccc(N(C)C(=O)[C@H]2CCC[C@H](C)N2)cc1 ZINC000050009556 384581787 /nfs/dbraw/zinc/58/17/87/384581787.db2.gz QAXBDFINRNMSHK-GXTWGEPZSA-N 0 3 246.354 2.488 10 0 BEAEHN Cc1cnn(CCN[C@H](C)c2cncc(F)c2)c1 ZINC000124135905 384615750 /nfs/dbraw/zinc/61/57/50/384615750.db2.gz QZTQGDQFESPZPR-LLVKDONJSA-N 0 3 248.305 2.076 10 0 BEAEHN CCC[C@@H](N[C@H]1CCCNC1=O)c1ccccc1 ZINC000050393656 384620957 /nfs/dbraw/zinc/62/09/57/384620957.db2.gz HCBGBHQUUWGMEK-KGLIPLIRSA-N 0 3 246.354 2.396 10 0 BEAEHN CCC[C@H](N[C@H]1CCCNC1=O)c1ccccc1 ZINC000050393654 384621080 /nfs/dbraw/zinc/62/10/80/384621080.db2.gz HCBGBHQUUWGMEK-KBPBESRZSA-N 0 3 246.354 2.396 10 0 BEAEHN COc1ccc([C@@H](N)Cn2nc(C)cc2C)cc1 ZINC000011849932 384623959 /nfs/dbraw/zinc/62/39/59/384623959.db2.gz RMKSFPQYMCPPLM-AWEZNQCLSA-N 0 3 245.326 2.209 10 0 BEAEHN CC(=O)Nc1ccc2c(c1)[C@H](N)CC(C)(C)O2 ZINC000011848992 384624910 /nfs/dbraw/zinc/62/49/10/384624910.db2.gz UVAJMYCFIMEHCP-LLVKDONJSA-N 0 3 234.299 2.206 10 0 BEAEHN C[C@H](N[C@H]1CC[C@H](O)CC1)c1nccs1 ZINC000100248204 384628574 /nfs/dbraw/zinc/62/85/74/384628574.db2.gz RRXGKWBZRILWCZ-LPEHRKFASA-N 0 3 226.345 2.097 10 0 BEAEHN C[C@H](N[C@H]1CC[C@H](O)CC1)c1ccco1 ZINC000100248178 384628899 /nfs/dbraw/zinc/62/88/99/384628899.db2.gz XXRWWTCZMYONOO-GARJFASQSA-N 0 3 209.289 2.234 10 0 BEAEHN Cc1cnn(CCN[C@H](C)c2cncc(C)c2)c1 ZINC000184394925 384598723 /nfs/dbraw/zinc/59/87/23/384598723.db2.gz MMHGCZGEVCFYGG-CYBMUJFWSA-N 0 3 244.342 2.246 10 0 BEAEHN CO[C@H](CN)c1cc(Br)cs1 ZINC000043288271 384723529 /nfs/dbraw/zinc/72/35/29/384723529.db2.gz VTNVBCFSOPIOFR-ZCFIWIBFSA-N 0 3 236.134 2.157 10 0 BEAEHN C[C@@H]1Oc2c(cc(F)cc2Cl)[C@H]1N ZINC000043635488 384725778 /nfs/dbraw/zinc/72/57/78/384725778.db2.gz HHIWXEYYJQJZBP-NVNXEXLPSA-N 0 3 201.628 2.260 10 0 BEAEHN CCn1ccnc1CNCCc1ccsc1 ZINC000051924138 384704757 /nfs/dbraw/zinc/70/47/57/384704757.db2.gz YNTMANHDHSKOKW-UHFFFAOYSA-N 0 3 235.356 2.297 10 0 BEAEHN CC1Oc2c(cc(F)cc2Cl)C1=O ZINC000105738380 384716166 /nfs/dbraw/zinc/71/61/66/384716166.db2.gz JNCGFEAIVWQPIP-SCSAIBSYSA-N 0 3 200.596 2.443 10 0 BEAEHN C[C@@H]1Oc2ccc(Br)cc2[C@@H]1N ZINC000043635070 384720572 /nfs/dbraw/zinc/72/05/72/384720572.db2.gz UKVOIDKDARSJLE-SSDLBLMSSA-N 0 3 228.089 2.230 10 0 BEAEHN CN[C@H]1c2cc(Br)ccc2O[C@@H]1C ZINC000043635076 384720915 /nfs/dbraw/zinc/72/09/15/384720915.db2.gz UMQWKRFDGMCMJB-LHLIQPBNSA-N 0 3 242.116 2.491 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cn(C)nc1C ZINC000126274346 384758425 /nfs/dbraw/zinc/75/84/25/384758425.db2.gz PVXFESUJZOGPDL-PWSUYJOCSA-N 0 3 207.321 2.007 10 0 BEAEHN Nc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000084051049 384833076 /nfs/dbraw/zinc/83/30/76/384833076.db2.gz GOUUVFHVVUJMSO-UHFFFAOYSA-N 0 3 238.088 2.421 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000048775646 384786507 /nfs/dbraw/zinc/78/65/07/384786507.db2.gz IVFKBEUVMMUDRB-SNVBAGLBSA-N 0 3 220.316 2.356 10 0 BEAEHN Cc1ccc(F)c(CN[C@@H]2CCO[C@@H]2C)c1 ZINC000127324623 384883385 /nfs/dbraw/zinc/88/33/85/384883385.db2.gz SEJBHSFJMXYEOD-ZWNOBZJWSA-N 0 3 223.291 2.401 10 0 BEAEHN CC[C@H](CN[C@@H]1CCc2c1cccc2O)OC ZINC000310150578 384860997 /nfs/dbraw/zinc/86/09/97/384860997.db2.gz HZPNBXSNTQAZIP-ZWNOBZJWSA-N 0 3 235.327 2.394 10 0 BEAEHN Cc1ccc(CN[C@H]2CCCC[C@@H]2CO)o1 ZINC000164263055 384951687 /nfs/dbraw/zinc/95/16/87/384951687.db2.gz AWVHHSGEVVMOCP-YPMHNXCESA-N 0 3 223.316 2.229 10 0 BEAEHN Cc1ccc(CN[C@H]2CCCC[C@H]2CO)o1 ZINC000164263297 384952080 /nfs/dbraw/zinc/95/20/80/384952080.db2.gz AWVHHSGEVVMOCP-AAEUAGOBSA-N 0 3 223.316 2.229 10 0 BEAEHN Clc1ccc([C@@H]2CN(C3CC3)CCN2)cc1 ZINC000056894763 384920539 /nfs/dbraw/zinc/92/05/39/384920539.db2.gz QQIAGCJMLMLXHR-ZDUSSCGKSA-N 0 3 236.746 2.449 10 0 BEAEHN COC[C@H](N[C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000300089264 533099810 /nfs/dbraw/zinc/09/98/10/533099810.db2.gz LSIGJSDCRALXRM-KKUMJFAQSA-N 0 3 249.354 2.267 10 0 BEAEHN Cc1cc(CN[C@@H]2CCCC[C@@H]2CO)sn1 ZINC000404435053 384995180 /nfs/dbraw/zinc/99/51/80/384995180.db2.gz QPVQIPDASLPAIL-ZYHUDNBSSA-N 0 3 240.372 2.092 10 0 BEAEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000165045761 385063673 /nfs/dbraw/zinc/06/36/73/385063673.db2.gz MKSSVAXMYQXDMT-GHMZBOCLSA-N 0 3 220.316 2.374 10 0 BEAEHN Cc1c[nH]c(CN2CCC[C@@H](C)C2)c(C)c1=O ZINC000058823344 385026191 /nfs/dbraw/zinc/02/61/91/385026191.db2.gz IKSXICQZWOTIAL-SNVBAGLBSA-N 0 3 234.343 2.224 10 0 BEAEHN NC[C@@H](F)c1sccc1Br ZINC000156349842 385036641 /nfs/dbraw/zinc/03/66/41/385036641.db2.gz WBOZZUXCLNVNOD-RXMQYKEDSA-N 0 3 224.098 2.480 10 0 BEAEHN NC[C@@H](F)c1occc1Br ZINC000156367123 385037482 /nfs/dbraw/zinc/03/74/82/385037482.db2.gz HMQVAXSCMMPLSI-RXMQYKEDSA-N 0 3 208.030 2.011 10 0 BEAEHN CC[C@H]1CCC[C@@H]1NCc1nccn1C ZINC000130524876 385047061 /nfs/dbraw/zinc/04/70/61/385047061.db2.gz WCDCWTGAHWPVAY-QWRGUYRKSA-N 0 3 207.321 2.088 10 0 BEAEHN CC[C@H](N[C@@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676854 385129801 /nfs/dbraw/zinc/12/98/01/385129801.db2.gz FZLAJAZMEOGKMC-KWQFWETISA-N 0 3 240.734 2.255 10 0 BEAEHN CC[C@H](NC[C@@](C)(O)CC)c1nccs1 ZINC000119381455 385095014 /nfs/dbraw/zinc/09/50/14/385095014.db2.gz SRHJCFDFXIBYGV-ONGXEEELSA-N 0 3 228.361 2.345 10 0 BEAEHN CN(C)C[C@H]1CCc2[nH]c3ccccc3c2C1=O ZINC000022002122 385162541 /nfs/dbraw/zinc/16/25/41/385162541.db2.gz UEWOZJZAMBVKAE-SNVBAGLBSA-N 0 3 242.322 2.475 10 0 BEAEHN CCc1ccc([C@@H]2CCCCN2CCO)o1 ZINC000177814232 385288020 /nfs/dbraw/zinc/28/80/20/385288020.db2.gz OGSADFHINRBBGX-LBPRGKRZSA-N 0 3 223.316 2.361 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000644089408 385439158 /nfs/dbraw/zinc/43/91/58/385439158.db2.gz LIAYEPXIISIBQN-WCQYABFASA-N 0 3 246.354 2.170 10 0 BEAEHN c1ccc2nnc([C@@H]3CCCCN3)cc2c1 ZINC000259465824 385468799 /nfs/dbraw/zinc/46/87/99/385468799.db2.gz LPAJEIQZPYFWDL-LBPRGKRZSA-N 0 3 213.284 2.444 10 0 BEAEHN C[C@@H]1C[C@](O)(c2ccsc2)CCN1C ZINC000156794239 385469064 /nfs/dbraw/zinc/46/90/64/385469064.db2.gz SQMXRNSICPZYLX-KOLCDFICSA-N 0 3 211.330 2.050 10 0 BEAEHN CC[C@H](C)[C@H](C)NCc1nnc(C)n1CC ZINC000183037725 385502265 /nfs/dbraw/zinc/50/22/65/385502265.db2.gz JCSIIQNCRJHGMY-UWVGGRQHSA-N 0 3 224.352 2.131 10 0 BEAEHN C[C@H](NCc1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000183091145 385508178 /nfs/dbraw/zinc/50/81/78/385508178.db2.gz LDKYWNIUPGJVSI-ONGXEEELSA-N 0 3 240.734 2.392 10 0 BEAEHN CN(C)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000106770378 385529549 /nfs/dbraw/zinc/52/95/49/385529549.db2.gz XMVPPBTUIVENRK-ZDUSSCGKSA-N 0 3 236.359 2.039 10 0 BEAEHN CCOc1ccccc1CN[C@H]1CCC[C@H](O)C1 ZINC000037164402 385597276 /nfs/dbraw/zinc/59/72/76/385597276.db2.gz MYKAWWZQBBHUEK-KBPBESRZSA-N 0 3 249.354 2.478 10 0 BEAEHN CC(C)[C@@H](N)c1nc(C(F)(F)F)c[nH]1 ZINC000036876939 385587704 /nfs/dbraw/zinc/58/77/04/385587704.db2.gz VAFWDMXSHKDTHH-ZCFIWIBFSA-N 0 3 207.199 2.084 10 0 BEAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccc(F)cn1 ZINC000251544511 385627342 /nfs/dbraw/zinc/62/73/42/385627342.db2.gz PHAXSFRYJUURLX-OUJBWJOFSA-N 0 3 238.306 2.439 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000055421449 385642114 /nfs/dbraw/zinc/64/21/14/385642114.db2.gz MQYINPSWZQUKNV-SNVBAGLBSA-N 0 3 220.316 2.356 10 0 BEAEHN C[C@H](NCc1nnc(C2CC2)n1C)C1CCCC1 ZINC000184615173 385683995 /nfs/dbraw/zinc/68/39/95/385683995.db2.gz DANGLUNKKHVJIM-JTQLQIEISA-N 0 3 248.374 2.361 10 0 BEAEHN CCC[C@H](C)NCc1cn2c(n1)CCCC2 ZINC000309617271 385747955 /nfs/dbraw/zinc/74/79/55/385747955.db2.gz CCSBUYJZXMVCEK-NSHDSACASA-N 0 3 221.348 2.498 10 0 BEAEHN CN(C)CCSc1n[nH]c(-c2ccccc2)n1 ZINC000013589369 385832699 /nfs/dbraw/zinc/83/26/99/385832699.db2.gz QTJLSZKUOTZZIN-UHFFFAOYSA-N 0 3 248.355 2.125 10 0 BEAEHN Cn1ccc(CNC2C3CC4CC(C3)CC2C4)n1 ZINC000112343622 385839043 /nfs/dbraw/zinc/83/90/43/385839043.db2.gz KBQBDYWSNGUYJS-UHFFFAOYSA-N 0 3 245.370 2.334 10 0 BEAEHN NCc1nc(OC2CCC2)ccc1Cl ZINC000051521764 385841040 /nfs/dbraw/zinc/84/10/40/385841040.db2.gz BJPALNLGTSXJGT-UHFFFAOYSA-N 0 3 212.680 2.125 10 0 BEAEHN Cc1ccc2nc(CN[C@H]3C[C@H]3C)cn2c1 ZINC000283826613 385794979 /nfs/dbraw/zinc/79/49/79/385794979.db2.gz GHXUBKUGLPAEKE-PWSUYJOCSA-N 0 3 215.300 2.141 10 0 BEAEHN CN[C@@H]1COc2c1cc(F)cc2Cl ZINC000037901965 386102622 /nfs/dbraw/zinc/10/26/22/386102622.db2.gz MLDYIOLJWFRWOL-MRVPVSSYSA-N 0 3 201.628 2.132 10 0 BEAEHN CC[C@H](N)c1c(F)cc(OC)cc1F ZINC000037998953 386108759 /nfs/dbraw/zinc/10/87/59/386108759.db2.gz BBNSXXWUWJDDJK-VIFPVBQESA-N 0 3 201.216 2.383 10 0 BEAEHN Cc1ncsc1[C@@]1(N)CS[C@@H](C)C1 ZINC000575569102 386112793 /nfs/dbraw/zinc/11/27/93/386112793.db2.gz BVZFLUVBSDGLIF-RCOVLWMOSA-N 0 3 214.359 2.131 10 0 BEAEHN COC(=O)c1coc(CN[C@H]2CCC[C@@H]2C)c1 ZINC000130777667 386201325 /nfs/dbraw/zinc/20/13/25/386201325.db2.gz XIUZNPNJSJYXDE-CABZTGNLSA-N 0 3 237.299 2.344 10 0 BEAEHN NCc1cnc(Cc2cccs2)s1 ZINC000052900904 386332802 /nfs/dbraw/zinc/33/28/02/386332802.db2.gz BDFCXPUTXKUXQN-UHFFFAOYSA-N 0 3 210.327 2.254 10 0 BEAEHN Cc1ccc(F)cc1CN1C[C@H](O)CC[C@@H]1C ZINC000399212072 386457245 /nfs/dbraw/zinc/45/72/45/386457245.db2.gz RSYRNZDGCIWHHP-SMDDNHRTSA-N 0 3 237.318 2.479 10 0 BEAEHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1cccs1 ZINC000399218045 386458474 /nfs/dbraw/zinc/45/84/74/386458474.db2.gz BAIYQTIRDMGEIX-LDYMZIIASA-N 0 3 238.356 2.053 10 0 BEAEHN COc1ccc(CN2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399217464 386459198 /nfs/dbraw/zinc/45/91/98/386459198.db2.gz VANHTKLRSQJUSP-WCQYABFASA-N 0 3 235.327 2.040 10 0 BEAEHN NCc1nccc2c(F)ccc(Cl)c21 ZINC000521402229 386465380 /nfs/dbraw/zinc/46/53/80/386465380.db2.gz YGFHNZMOSJBDBD-UHFFFAOYSA-N 0 3 210.639 2.486 10 0 BEAEHN C[C@]1(C(=O)NCCC2CCCC2)CCCCN1 ZINC000136167275 386570662 /nfs/dbraw/zinc/57/06/62/386570662.db2.gz WNJWQMFTQIJEME-CQSZACIVSA-N 0 3 238.375 2.215 10 0 BEAEHN N[C@@H](Cc1cccnc1)c1cccs1 ZINC000053130855 386664151 /nfs/dbraw/zinc/66/41/51/386664151.db2.gz PNJOOJXMPPETQT-JTQLQIEISA-N 0 3 204.298 2.386 10 0 BEAEHN Cc1cnc([C@H](C)N[C@@H](C)C(C)C)cn1 ZINC000336760991 386747600 /nfs/dbraw/zinc/74/76/00/386747600.db2.gz MRRLPVUPSCWTJJ-QWRGUYRKSA-N 0 3 207.321 2.480 10 0 BEAEHN N[C@H](CF)c1ccc(Br)cc1 ZINC000071654953 386830680 /nfs/dbraw/zinc/83/06/80/386830680.db2.gz LTQTVYZYSCTZLO-MRVPVSSYSA-N 0 3 218.069 2.418 10 0 BEAEHN Cc1ccc([C@@H]2CCCCN2C[C@H](C)O)o1 ZINC000249653420 386839379 /nfs/dbraw/zinc/83/93/79/386839379.db2.gz YVXKRWCRQJNZDW-JQWIXIFHSA-N 0 3 223.316 2.496 10 0 BEAEHN COc1ccc([C@@]2(N)CCSC2)s1 ZINC000575454350 386840086 /nfs/dbraw/zinc/84/00/86/386840086.db2.gz VTHNUABLAARKIO-SECBINFHSA-N 0 3 215.343 2.048 10 0 BEAEHN CCCCCN1CCN(CCOCC)[C@H](C)C1 ZINC000117880061 387030981 /nfs/dbraw/zinc/03/09/81/387030981.db2.gz OTNJEGGTXMEENO-CQSZACIVSA-N 0 3 242.407 2.219 10 0 BEAEHN Cc1ncc([C@@H](N)[C@H]2CCCS2)s1 ZINC000575456201 387027538 /nfs/dbraw/zinc/02/75/38/387027538.db2.gz GCYKARIWIUZKIW-APPZFPTMSA-N 0 3 214.359 2.347 10 0 BEAEHN CC(C)N1C[C@@H](C)[C@H](NCc2ccco2)C1 ZINC000228275963 387086277 /nfs/dbraw/zinc/08/62/77/387086277.db2.gz OIVJWASEHOGFHN-DGCLKSJQSA-N 0 3 222.332 2.098 10 0 BEAEHN COc1cc(O)ccc1[C@H](N)CC(F)F ZINC000575437607 387109335 /nfs/dbraw/zinc/10/93/35/387109335.db2.gz JTGZTXQKOQWDII-MRVPVSSYSA-N 0 3 217.215 2.056 10 0 BEAEHN C(CN1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000335026022 387118257 /nfs/dbraw/zinc/11/82/57/387118257.db2.gz ROWMZQGDORMZHJ-CHWSQXEVSA-N 0 3 209.333 2.430 10 0 BEAEHN COc1cccc([C@@H](N)CCF)c1OC ZINC000575439029 387121532 /nfs/dbraw/zinc/12/15/32/387121532.db2.gz ONKPMBAHIOGEOX-VIFPVBQESA-N 0 3 213.252 2.063 10 0 BEAEHN COc1ccc(F)c([C@H](N)CCF)c1 ZINC000575439865 387126232 /nfs/dbraw/zinc/12/62/32/387126232.db2.gz YWUWNPQUOWXNIZ-SNVBAGLBSA-N 0 3 201.216 2.194 10 0 BEAEHN [NH3+][C@@H](CC(F)F)c1ccc([O-])c(F)c1 ZINC000575438475 387129651 /nfs/dbraw/zinc/12/96/51/387129651.db2.gz LAGWQVDQFJTPFK-ZETCQYMHSA-N 0 3 205.179 2.186 10 0 BEAEHN CC(C)=C[C@@H](N)c1c(Br)cnn1C ZINC000575482165 387180938 /nfs/dbraw/zinc/18/09/38/387180938.db2.gz JWYAGAKLGMJQMN-MRVPVSSYSA-N 0 3 244.136 2.149 10 0 BEAEHN Cc1ccc(CN[C@H](C)[C@@H]2CCCO2)c(C)n1 ZINC000187496003 387200477 /nfs/dbraw/zinc/20/04/77/387200477.db2.gz NAIFCSMVIOXLCB-OCCSQVGLSA-N 0 3 234.343 2.356 10 0 BEAEHN CN(CC(=O)NC(C)(C)C)C[C@@H]1CC=CCC1 ZINC000120652183 387260153 /nfs/dbraw/zinc/26/01/53/387260153.db2.gz RGXSZCOCXAEWHN-GFCCVEGCSA-N 0 3 238.375 2.189 10 0 BEAEHN Cc1ccc(Br)c2c1CNCCO2 ZINC000575493405 387273150 /nfs/dbraw/zinc/27/31/50/387273150.db2.gz BWSKYVHOFZHZMC-UHFFFAOYSA-N 0 3 242.116 2.240 10 0 BEAEHN COC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]32)cc1 ZINC000353896112 387291863 /nfs/dbraw/zinc/29/18/63/387291863.db2.gz DWODXIZWHYBWHC-UONOGXRCSA-N 0 3 245.322 2.458 10 0 BEAEHN CN(Cc1cccs1)[C@@H]1CCC[C@H]1O ZINC000226277696 387298419 /nfs/dbraw/zinc/29/84/19/387298419.db2.gz XHDOPRAORYBGNS-GHMZBOCLSA-N 0 3 211.330 2.093 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cncc(Br)c1 ZINC000160573882 387305880 /nfs/dbraw/zinc/30/58/80/387305880.db2.gz QPOJDJFRQPEENE-XCBNKYQSSA-N 0 3 241.132 2.342 10 0 BEAEHN C[C@H]1CCN([C@@H]2CCCCC2=O)CCS1 ZINC000306555436 387342808 /nfs/dbraw/zinc/34/28/08/387342808.db2.gz LUHRFWCGSBLWLN-WDEREUQCSA-N 0 3 227.373 2.326 10 0 BEAEHN C[C@H]1CS[C@]2(CCCSCC2)N1 ZINC000575518008 387434536 /nfs/dbraw/zinc/43/45/36/387434536.db2.gz JAZWLXJGWSFRCI-IUCAKERBSA-N 0 3 203.376 2.325 10 0 BEAEHN CCOc1cc(OCC)c(CN)cc1C ZINC000575721883 387445123 /nfs/dbraw/zinc/44/51/23/387445123.db2.gz YJWXKQYCGVYMIQ-UHFFFAOYSA-N 0 3 209.289 2.251 10 0 BEAEHN C[C@@H](N)c1ncc(Br)cc1F ZINC000044138858 387511220 /nfs/dbraw/zinc/51/12/20/387511220.db2.gz YONGCPHDYMOYJJ-SCSAIBSYSA-N 0 3 219.057 2.003 10 0 BEAEHN CC(C)CC(=O)Nc1cccc2c1CNCC2 ZINC000123526764 387586052 /nfs/dbraw/zinc/58/60/52/387586052.db2.gz DFVIFZZMXXCTMM-UHFFFAOYSA-N 0 3 232.327 2.317 10 0 BEAEHN C/C(=C\Br)[C@H]1CCCCN1 ZINC000575545577 387628653 /nfs/dbraw/zinc/62/86/53/387628653.db2.gz MPBHJBWAXICQGP-HYDMIIDASA-N 0 3 204.111 2.427 10 0 BEAEHN C/C(=C\Br)[C@@H]1CCCCN1 ZINC000575545576 387629025 /nfs/dbraw/zinc/62/90/25/387629025.db2.gz MPBHJBWAXICQGP-CZEYKFRCSA-N 0 3 204.111 2.427 10 0 BEAEHN CCCCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124513285 387621248 /nfs/dbraw/zinc/62/12/48/387621248.db2.gz DAXDNHJIPWOJRT-NEPJUHHUSA-N 0 3 226.364 2.118 10 0 BEAEHN C[C@H](NCC1CC1)c1nnc2n1CCCCC2 ZINC000037140769 387560344 /nfs/dbraw/zinc/56/03/44/387560344.db2.gz BTETWMLUGWPNFP-JTQLQIEISA-N 0 3 234.347 2.065 10 0 BEAEHN C[C@H](N[C@@H]1CCCCC[C@@H]1O)c1ccccn1 ZINC000037889250 387566594 /nfs/dbraw/zinc/56/65/94/387566594.db2.gz YJMKRUFZKGKVOS-YUTCNCBUSA-N 0 3 234.343 2.426 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284198485 387576849 /nfs/dbraw/zinc/57/68/49/387576849.db2.gz BPJZJYPCCVRPDD-ZYHUDNBSSA-N 0 3 249.358 2.041 10 0 BEAEHN C[C@@](N)(c1ccc(Br)cn1)C1CC1 ZINC000575556066 387694347 /nfs/dbraw/zinc/69/43/47/387694347.db2.gz NMLLTUXMALFQPO-JTQLQIEISA-N 0 3 241.132 2.428 10 0 BEAEHN NC1(c2sccc2Cl)CSC1 ZINC000575548268 387645663 /nfs/dbraw/zinc/64/56/63/387645663.db2.gz CKKSJOMOQUCQII-UHFFFAOYSA-N 0 3 205.735 2.302 10 0 BEAEHN COC1CC(N)(c2ccsc2Cl)C1 ZINC000575557906 387695426 /nfs/dbraw/zinc/69/54/26/387695426.db2.gz AKMBFSOWZNFINP-UHFFFAOYSA-N 0 3 217.721 2.364 10 0 BEAEHN Cc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)o1 ZINC000128404587 387745029 /nfs/dbraw/zinc/74/50/29/387745029.db2.gz JJMVSTBDYXZBBQ-GFCCVEGCSA-N 0 3 245.326 2.311 10 0 BEAEHN Cc1cc([C@@]2(N)CS[C@H](C)C2)sn1 ZINC000575572818 387749205 /nfs/dbraw/zinc/74/92/05/387749205.db2.gz QOMMISYIFJATOD-APPZFPTMSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@H]1OCC[C@@]1(N)c1ccc(Cl)s1 ZINC000575560690 387698012 /nfs/dbraw/zinc/69/80/12/387698012.db2.gz LKZHTBPBOVNCGZ-MUWHJKNJSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@H]1OCC[C@]1(N)c1ccc(Cl)s1 ZINC000575560687 387699471 /nfs/dbraw/zinc/69/94/71/387699471.db2.gz LKZHTBPBOVNCGZ-HZGVNTEJSA-N 0 3 217.721 2.364 10 0 BEAEHN CCC[C@@H](NCC[C@@H](C)O)c1ccccn1 ZINC000127537135 387716432 /nfs/dbraw/zinc/71/64/32/387716432.db2.gz SNNGWOQYEKONAS-VXGBXAGGSA-N 0 3 222.332 2.283 10 0 BEAEHN Cc1ncc([C@@]2(N)CCS[C@@H]2C)s1 ZINC000575571393 387738122 /nfs/dbraw/zinc/73/81/22/387738122.db2.gz UZKAKMVCDADOMK-HZGVNTEJSA-N 0 3 214.359 2.131 10 0 BEAEHN CCc1ccc([C@@H](C)N[C@@H]2CCCNC2=O)cc1 ZINC000050393723 387793480 /nfs/dbraw/zinc/79/34/80/387793480.db2.gz IUWSHCKIAABVDD-BXUZGUMPSA-N 0 3 246.354 2.178 10 0 BEAEHN COC[C@@H](C)N1CCC[C@H]1c1ccco1 ZINC000245461986 387947420 /nfs/dbraw/zinc/94/74/20/387947420.db2.gz WRVMWWPXRBFTES-MNOVXSKESA-N 0 3 209.289 2.451 10 0 BEAEHN C[C@@H](N)c1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994558 387975688 /nfs/dbraw/zinc/97/56/88/387975688.db2.gz CUASCTAGWGEWSG-MNOVXSKESA-N 0 3 245.326 2.235 10 0 BEAEHN C[C@@H]1CN([C@H]2Cc3ccccc3[C@@H]2O)CCS1 ZINC000245856620 387988762 /nfs/dbraw/zinc/98/87/62/387988762.db2.gz NRJBWVMLOLHGON-SWHYSGLUSA-N 0 3 249.379 2.082 10 0 BEAEHN CCN(CC(=O)NC(C)(C)CC)CC(C)C ZINC000046064488 388007719 /nfs/dbraw/zinc/00/77/19/388007719.db2.gz LCVVAQKPWSVKRR-UHFFFAOYSA-N 0 3 228.380 2.269 10 0 BEAEHN CCOCCN1CCN(C[C@H](C)CC)C[C@@H]1C ZINC000246174834 388016560 /nfs/dbraw/zinc/01/65/60/388016560.db2.gz FZVRRBFYSVOLGY-KGLIPLIRSA-N 0 3 242.407 2.075 10 0 BEAEHN CCCCOCCCNCc1cnn(C)c1C ZINC000159555889 388020530 /nfs/dbraw/zinc/02/05/30/388020530.db2.gz PVLMIIDSQAUNMY-UHFFFAOYSA-N 0 3 239.363 2.025 10 0 BEAEHN C1=C(CN2CCN3CCCC[C@H]3C2)CCC1 ZINC000645828807 388040930 /nfs/dbraw/zinc/04/09/30/388040930.db2.gz AYEBEUVOUCRUNN-AWEZNQCLSA-N 0 3 220.360 2.267 10 0 BEAEHN Cc1[nH]c(N)nc1-c1ccc(F)c(C)c1 ZINC000082532299 388121089 /nfs/dbraw/zinc/12/10/89/388121089.db2.gz YRQQWHINKUCDRG-UHFFFAOYSA-N 0 3 205.236 2.415 10 0 BEAEHN Cc1[nH]c(N)nc1-c1ccc(F)c(F)c1 ZINC000082533187 388121483 /nfs/dbraw/zinc/12/14/83/388121483.db2.gz ZPHREPIHIWAMPL-UHFFFAOYSA-N 0 3 209.199 2.246 10 0 BEAEHN C[C@@H](NC[C@H](O)C(C)(C)C)c1cncs1 ZINC000164043615 388138568 /nfs/dbraw/zinc/13/85/68/388138568.db2.gz IZCZVNFQYXZTBH-SCZZXKLOSA-N 0 3 228.361 2.201 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnc(N(C)C)s1 ZINC000165051858 388250366 /nfs/dbraw/zinc/25/03/66/388250366.db2.gz LQAULZROQFBQAF-ONGXEEELSA-N 0 3 239.388 2.487 10 0 BEAEHN CC(C)Cc1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1 ZINC000038386213 322813841 /nfs/dbraw/zinc/81/38/41/322813841.db2.gz UUZNJWGRKGDDDT-RYUDHWBXSA-N 0 3 248.370 2.410 10 0 BEAEHN C[C@H]1[C@H](O)CCCN1Cc1cccc(F)c1 ZINC000295011781 388406985 /nfs/dbraw/zinc/40/69/85/388406985.db2.gz MDFMFKSYUDHZBF-GXFFZTMASA-N 0 3 223.291 2.171 10 0 BEAEHN Cc1cnc(CN2C[C@H]3CCCCN3C[C@@H]2C)o1 ZINC000229726652 388397466 /nfs/dbraw/zinc/39/74/66/388397466.db2.gz UJBZIRGSKUVYBT-WCQYABFASA-N 0 3 249.358 2.042 10 0 BEAEHN Cc1cnc(CNC[C@H]2CCCC[C@H]2O)s1 ZINC000295790474 388414573 /nfs/dbraw/zinc/41/45/73/388414573.db2.gz SCIORTSIUVHWGL-GHMZBOCLSA-N 0 3 240.372 2.092 10 0 BEAEHN CCC[C@@H](C(=O)NCc1ccsc1)N(C)C ZINC000178648558 388503087 /nfs/dbraw/zinc/50/30/87/388503087.db2.gz JKZBFKPTJRZXOU-NSHDSACASA-N 0 3 240.372 2.095 10 0 BEAEHN N[C@@H](c1ccccc1)[C@H](O)C1CCCC1 ZINC000054682277 388606394 /nfs/dbraw/zinc/60/63/94/388606394.db2.gz BMKCSBKAXSWVAK-QWHCGFSZSA-N 0 3 205.301 2.238 10 0 BEAEHN CCC[C@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000187682005 388610350 /nfs/dbraw/zinc/61/03/50/388610350.db2.gz SDJRYDGGPMWAIU-UONOGXRCSA-N 0 3 242.407 2.218 10 0 BEAEHN CCC[C@H](C(=O)N[C@H]1CCC[C@@H](C)C1)N(C)C ZINC000245514132 388585725 /nfs/dbraw/zinc/58/57/25/388585725.db2.gz PEWYGBYEHUOAGR-FRRDWIJNSA-N 0 3 240.391 2.412 10 0 BEAEHN N[C@H](CCF)c1cc(F)c(F)cc1F ZINC000575439739 388629968 /nfs/dbraw/zinc/62/99/68/388629968.db2.gz VOQDFDPIFIOAQS-SECBINFHSA-N 0 3 207.170 2.463 10 0 BEAEHN COc1cc(CN2CCCC2)cc2c1OCCO2 ZINC000123927165 388659444 /nfs/dbraw/zinc/65/94/44/388659444.db2.gz PFDXFBKKQBUBHO-UHFFFAOYSA-N 0 3 249.310 2.062 10 0 BEAEHN Cc1ccc(CNC[C@H]2CCCC[C@H]2O)nc1 ZINC000127041212 388712255 /nfs/dbraw/zinc/71/22/55/388712255.db2.gz MPRFLWDWHBJNCS-TZMCWYRMSA-N 0 3 234.343 2.031 10 0 BEAEHN Cc1cccc(CN[C@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000127301919 388720417 /nfs/dbraw/zinc/72/04/17/388720417.db2.gz NUGHEASZROADOM-OCCSQVGLSA-N 0 3 245.370 2.105 10 0 BEAEHN COC[C@H](C)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000249463388 388723267 /nfs/dbraw/zinc/72/32/67/388723267.db2.gz FZPSPAMIGXUFPH-YPMHNXCESA-N 0 3 237.347 2.219 10 0 BEAEHN CCCN(C)Cc1cnc2nc(C)cc(C)n12 ZINC000127547504 388725834 /nfs/dbraw/zinc/72/58/34/388725834.db2.gz YDEYHMLYXZEPCE-UHFFFAOYSA-N 0 3 232.331 2.188 10 0 BEAEHN C[C@@]1(c2ccc(Br)cn2)CCN1 ZINC000575499773 388989896 /nfs/dbraw/zinc/98/98/96/388989896.db2.gz OOLVFZOSZNRFAX-VIFPVBQESA-N 0 3 227.105 2.053 10 0 BEAEHN Cc1cc(C)cc(N2CCN[C@@H](C)C2)c1 ZINC000016944773 132323730 /nfs/dbraw/zinc/32/37/30/132323730.db2.gz JXUAAUHXRNBYNU-LBPRGKRZSA-N 0 3 204.317 2.102 10 0 BEAEHN C[C@@H]1CNCCN1c1ccc(F)c(Cl)c1 ZINC000041250449 132349696 /nfs/dbraw/zinc/34/96/96/132349696.db2.gz DSJKWQCDVHUQLY-MRVPVSSYSA-N 0 3 228.698 2.277 10 0 BEAEHN CCC1CCN(c2cccc(CN)n2)CC1 ZINC000051398143 132360420 /nfs/dbraw/zinc/36/04/20/132360420.db2.gz CDMBVHTUTPKVJC-UHFFFAOYSA-N 0 3 219.332 2.167 10 0 BEAEHN C[C@@H]1CN(c2ccc(Cl)cc2CN)CCO1 ZINC000052856525 132362690 /nfs/dbraw/zinc/36/26/90/132362690.db2.gz CVRXRBRNMFXTID-SECBINFHSA-N 0 3 240.734 2.024 10 0 BEAEHN Cc1cc2cccc(N3CCNCC3)c2o1 ZINC000013741467 132244076 /nfs/dbraw/zinc/24/40/76/132244076.db2.gz VLBMAHOFJUHTIA-UHFFFAOYSA-N 0 3 216.284 2.151 10 0 BEAEHN CC(C)c1ccccc1N1CCNCC1 ZINC000003716182 132315722 /nfs/dbraw/zinc/31/57/22/132315722.db2.gz JQQVFOBGUYOMQP-UHFFFAOYSA-N 0 3 204.317 2.220 10 0 BEAEHN CCOc1ccccc1N1CCNC[C@@H]1CC ZINC000016945100 132323735 /nfs/dbraw/zinc/32/37/35/132323735.db2.gz SKVNDSXLMYGVJI-LBPRGKRZSA-N 0 3 234.343 2.274 10 0 BEAEHN Nc1cccc(N2CCN(C3CCCC3)CC2)c1 ZINC000020265099 132330569 /nfs/dbraw/zinc/33/05/69/132330569.db2.gz QKNIUFRFVAMFLT-UHFFFAOYSA-N 0 3 245.370 2.333 10 0 BEAEHN CC(C)(C)N1CCN(c2ccccc2N)CC1 ZINC000020265460 132330936 /nfs/dbraw/zinc/33/09/36/132330936.db2.gz RVGVZPCHEZAJBB-UHFFFAOYSA-N 0 3 233.359 2.189 10 0 BEAEHN C[C@@H](N)c1cc(F)ccc1N1CCOC[C@H]1C ZINC000035776804 132339487 /nfs/dbraw/zinc/33/94/87/132339487.db2.gz YNUYTOYNVKCVOO-NXEZZACHSA-N 0 3 238.306 2.071 10 0 BEAEHN CN1c2ccccc2[C@@H](NCC2CC2)CC1=O ZINC000037187384 132343753 /nfs/dbraw/zinc/34/37/53/132343753.db2.gz OIXRTWAWNSVHRK-LBPRGKRZSA-N 0 3 230.311 2.094 10 0 BEAEHN CNCc1cccc(N2CCCC[C@H]2C)n1 ZINC000051399338 132360672 /nfs/dbraw/zinc/36/06/72/132360672.db2.gz PGKBENVYTRXUTG-LLVKDONJSA-N 0 3 219.332 2.180 10 0 BEAEHN CC[C@@H]1CCCN(c2ccnc(CNC)c2)C1 ZINC000051445922 132361405 /nfs/dbraw/zinc/36/14/05/132361405.db2.gz OKSQNPGNBLNPOT-GFCCVEGCSA-N 0 3 233.359 2.427 10 0 BEAEHN CC[C@H]1COCCN1c1cc(C)ccc1CN ZINC000051579156 132361531 /nfs/dbraw/zinc/36/15/31/132361531.db2.gz VAVBJKVTTFTTFW-ZDUSSCGKSA-N 0 3 234.343 2.069 10 0 BEAEHN C[C@@H]1C[C@@H](C)CCN1c1cccc(CN)n1 ZINC000051748730 132361840 /nfs/dbraw/zinc/36/18/40/132361840.db2.gz IZUQMNWJDOLBRD-WDEREUQCSA-N 0 3 219.332 2.165 10 0 BEAEHN Cc1ccc(N)cc1N1CCN(C(C)C)CC1 ZINC000053735074 132363558 /nfs/dbraw/zinc/36/35/58/132363558.db2.gz WMZLKJXOXZPZTC-UHFFFAOYSA-N 0 3 233.359 2.108 10 0 BEAEHN CC[C@@H]1CCCCN1c1ccnc(C(=N)N)c1 ZINC000061814062 132387291 /nfs/dbraw/zinc/38/72/91/132387291.db2.gz TWNMLBDEBXDIOG-SNVBAGLBSA-N 0 3 232.331 2.135 10 0 BEAEHN Cc1c(N)cccc1N1CCN(C(C)C)CC1 ZINC000062724744 132388397 /nfs/dbraw/zinc/38/83/97/132388397.db2.gz NHZBNLXTKLYOBD-UHFFFAOYSA-N 0 3 233.359 2.108 10 0 BEAEHN C[C@H]1CN(c2cc(Cl)ccc2CN)CCO1 ZINC000062786727 132388812 /nfs/dbraw/zinc/38/88/12/132388812.db2.gz LVOZFTOUGCCGFC-VIFPVBQESA-N 0 3 240.734 2.024 10 0 BEAEHN Cc1ccc(N2CCNC[C@@H]2C)c(Cl)c1 ZINC000083086693 132420309 /nfs/dbraw/zinc/42/03/09/132420309.db2.gz QRLBMMQEFUYSSY-JTQLQIEISA-N 0 3 224.735 2.447 10 0 BEAEHN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)C1CC1 ZINC000177386777 134297577 /nfs/dbraw/zinc/29/75/77/134297577.db2.gz UQFHGNZCXRRBQU-ZJUUUORDSA-N 0 3 234.347 2.064 10 0 BEAEHN O[C@@]12CCCC[C@H]1CN(Cc1ccco1)CC2 ZINC000220405363 134305417 /nfs/dbraw/zinc/30/54/17/134305417.db2.gz XKPRMTPTRLGDCI-GXTWGEPZSA-N 0 3 235.327 2.407 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C1CCC1 ZINC000178415572 134310220 /nfs/dbraw/zinc/31/02/20/134310220.db2.gz YGXTWEQKSKQTFM-JQWIXIFHSA-N 0 3 248.374 2.454 10 0 BEAEHN C[Si](C)(C)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000179683421 134323835 /nfs/dbraw/zinc/32/38/35/134323835.db2.gz PIGDGCQFWJGBQG-JTQLQIEISA-N 0 3 238.411 2.209 10 0 BEAEHN C[C@@H]1CCCC[C@H]1NCc1nnc(C2CC2)n1C ZINC000184586501 134363670 /nfs/dbraw/zinc/36/36/70/134363670.db2.gz FSKKGZWXTJOKMA-ZYHUDNBSSA-N 0 3 248.374 2.361 10 0 BEAEHN CCC1(CNCc2c(C)nn(C)c2OC)CC1 ZINC000226784863 134369130 /nfs/dbraw/zinc/36/91/30/134369130.db2.gz UFSZYJSHHFNDGZ-UHFFFAOYSA-N 0 3 237.347 2.017 10 0 BEAEHN COc1ccc(C)cc1CN1CC[C@@H](CCO)C1 ZINC000227565971 134383330 /nfs/dbraw/zinc/38/33/30/134383330.db2.gz WDJMSPKBOVCHRE-ZDUSSCGKSA-N 0 3 249.354 2.208 10 0 BEAEHN CO[C@H](C)CN1CCC[C@H]1c1ccco1 ZINC000248422639 135008409 /nfs/dbraw/zinc/00/84/09/135008409.db2.gz MRIOYZYMHUVRGC-MNOVXSKESA-N 0 3 209.289 2.451 10 0 BEAEHN C[C@H]1CN(C[C@H]2CCC(C)(C)O2)CCS1 ZINC000248582675 135014945 /nfs/dbraw/zinc/01/49/45/135014945.db2.gz SZBPRGUNXHMUMZ-WDEREUQCSA-N 0 3 229.389 2.381 10 0 BEAEHN CCCn1ccc(CNCCOCC2CC2)c1 ZINC000233448733 135032773 /nfs/dbraw/zinc/03/27/73/135032773.db2.gz LSWKMTPKJJDZBC-UHFFFAOYSA-N 0 3 236.359 2.414 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCSC ZINC000251827738 135079213 /nfs/dbraw/zinc/07/92/13/135079213.db2.gz PSSMYUISDWGELX-OLZOCXBDSA-N 0 3 242.432 2.298 10 0 BEAEHN C[C@@H](O)[C@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000087128950 135107090 /nfs/dbraw/zinc/10/70/90/135107090.db2.gz OMDKABLLROZFNL-LPEHRKFASA-N 0 3 211.280 2.246 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000262584971 135306858 /nfs/dbraw/zinc/30/68/58/135306858.db2.gz SCTBBQCGDMDARB-NWDGAFQWSA-N 0 3 238.375 2.153 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cn(C)nc1C(C)(C)C ZINC000093963514 135609690 /nfs/dbraw/zinc/60/96/90/135609690.db2.gz CWDLLPFZFAAFOV-ONGXEEELSA-N 0 3 221.348 2.216 10 0 BEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC=CCC1 ZINC000113227889 135772869 /nfs/dbraw/zinc/77/28/69/135772869.db2.gz IJJORKOBCCMAJH-HZSPNIEDSA-N 0 3 248.370 2.038 10 0 BEAEHN Cc1cnc([C@@H](C)NCCCn2ccnc2C)o1 ZINC000348364491 136073065 /nfs/dbraw/zinc/07/30/65/136073065.db2.gz YNFRARAWWGPJJL-LLVKDONJSA-N 0 3 248.330 2.229 10 0 BEAEHN Clc1ccccc1CNC[C@@H]1[C@H]2COC[C@H]21 ZINC000309509430 397861222 /nfs/dbraw/zinc/86/12/22/397861222.db2.gz OPYJHENHCLCBBH-CNDDSTCGSA-N 0 3 237.730 2.322 10 0 BEAEHN C[C@H](NC[C@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550861 397966653 /nfs/dbraw/zinc/96/66/53/397966653.db2.gz ZXIYVLSDDBRGRI-GXSJLCMTSA-N 0 3 238.306 2.238 10 0 BEAEHN CCOC(=O)[C@H]1CCCCCN1C(C)C ZINC000259719063 397994121 /nfs/dbraw/zinc/99/41/21/397994121.db2.gz MTQLUJPXUJJUPV-LLVKDONJSA-N 0 3 213.321 2.203 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1c(C)n[nH]c1C ZINC000165024642 398001644 /nfs/dbraw/zinc/00/16/44/398001644.db2.gz PDEJLEZPKBFTBU-ZYHUDNBSSA-N 0 3 207.321 2.305 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1c(C)n[nH]c1C ZINC000165024758 398002214 /nfs/dbraw/zinc/00/22/14/398002214.db2.gz PDEJLEZPKBFTBU-CMPLNLGQSA-N 0 3 207.321 2.305 10 0 BEAEHN C(CN1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCCO1 ZINC000188781047 398130285 /nfs/dbraw/zinc/13/02/85/398130285.db2.gz CKQZXRSNMMWANF-BFHYXJOUSA-N 0 3 239.359 2.199 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc(OC)s1 ZINC000389738854 398131159 /nfs/dbraw/zinc/13/11/59/398131159.db2.gz VFNILYXJJLULSH-SCZZXKLOSA-N 0 3 226.345 2.430 10 0 BEAEHN Oc1cccc2c1CC[C@H]2NCCC1(O)CCC1 ZINC000397730530 398122136 /nfs/dbraw/zinc/12/21/36/398122136.db2.gz FICAYPOAIHONLJ-CYBMUJFWSA-N 0 3 247.338 2.274 10 0 BEAEHN C[C@@H]1CCN(C(=O)[C@@]2(C)CCCCN2)[C@H](C)C1 ZINC000227974965 487574855 /nfs/dbraw/zinc/57/48/55/487574855.db2.gz ZRSMLCFJMWCNJG-YRGRVCCFSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@]1(C(=O)NCCCC2CCC2)CCCCN1 ZINC000662664550 409822650 /nfs/dbraw/zinc/82/26/50/409822650.db2.gz CHFQSGALAFIKGB-CQSZACIVSA-N 0 3 238.375 2.215 10 0 BEAEHN Brc1ccccc1[C@@H]1CNCO1 ZINC000071533580 166103191 /nfs/dbraw/zinc/10/31/91/166103191.db2.gz AMNOSBQJFZBXSM-VIFPVBQESA-N 0 3 228.089 2.068 10 0 BEAEHN Cc1cc(C(C)C)nc(N2CCNC(C)(C)C2)n1 ZINC000122333853 410292534 /nfs/dbraw/zinc/29/25/34/410292534.db2.gz NEQPFJWDJYJSIQ-UHFFFAOYSA-N 0 3 248.374 2.097 10 0 BEAEHN CC(C)CNCc1csc(-c2cnccn2)n1 ZINC000082688820 167010649 /nfs/dbraw/zinc/01/06/49/167010649.db2.gz RZGMRQGGEBRGBX-UHFFFAOYSA-N 0 3 248.355 2.346 10 0 BEAEHN CC(C)NCc1cc(Cl)nc(Cl)n1 ZINC000072194567 167116208 /nfs/dbraw/zinc/11/62/08/167116208.db2.gz KDCAVQIQICQJFJ-UHFFFAOYSA-N 0 3 220.103 2.281 10 0 BEAEHN CC(C)NCc1cc(N2CC[C@@H](C)C2)ccn1 ZINC000051448409 167116540 /nfs/dbraw/zinc/11/65/40/167116540.db2.gz JMCMWXZSVNJQCF-GFCCVEGCSA-N 0 3 233.359 2.426 10 0 BEAEHN CC(C)NCc1cnc(Cl)nc1Cl ZINC000072194562 167120853 /nfs/dbraw/zinc/12/08/53/167120853.db2.gz NVAHMXACMSTMRU-UHFFFAOYSA-N 0 3 220.103 2.281 10 0 BEAEHN CC(C)NCc1cnc(-c2cnn(C)c2)s1 ZINC000040997113 167121186 /nfs/dbraw/zinc/12/11/86/167121186.db2.gz HVEBTRZUNWLXLV-UHFFFAOYSA-N 0 3 236.344 2.042 10 0 BEAEHN CC(C)N[C@H](CO)c1ccccc1Cl ZINC000038115776 167140122 /nfs/dbraw/zinc/14/01/22/167140122.db2.gz QHKHWWNWFJZHMK-LLVKDONJSA-N 0 3 213.708 2.371 10 0 BEAEHN CC(C)NCc1nccn1CCc1ccncc1 ZINC000051005587 167124342 /nfs/dbraw/zinc/12/43/42/167124342.db2.gz DHUGCBDKIQBUOK-UHFFFAOYSA-N 0 3 244.342 2.019 10 0 BEAEHN CC(C)N[C@@](C)(CO)c1ccc(F)cc1F ZINC000038115505 167136672 /nfs/dbraw/zinc/13/66/72/167136672.db2.gz SBNJBCTZZSLZFP-LBPRGKRZSA-N 0 3 229.270 2.170 10 0 BEAEHN CC(C)N[C@@](C)(CO)c1ccc(F)c(F)c1 ZINC000038115495 167137137 /nfs/dbraw/zinc/13/71/37/167137137.db2.gz OTQMBDVRGBZMCG-LBPRGKRZSA-N 0 3 229.270 2.170 10 0 BEAEHN CC(C)N[C@](C)(CO)c1cccc(F)c1 ZINC000038115643 167143017 /nfs/dbraw/zinc/14/30/17/167143017.db2.gz AXYXFDNFEWZDFM-GFCCVEGCSA-N 0 3 211.280 2.031 10 0 BEAEHN CC(C)N[C@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976288 167143039 /nfs/dbraw/zinc/14/30/39/167143039.db2.gz LYWXYOKRHNBEAV-ZBEGNZNMSA-N 0 3 241.331 2.376 10 0 BEAEHN CC(C)Oc1cc2c(cc1CNC1CC1)OCO2 ZINC000042874932 167288149 /nfs/dbraw/zinc/28/81/49/167288149.db2.gz ITJRJGNZJLDUBD-UHFFFAOYSA-N 0 3 249.310 2.455 10 0 BEAEHN CC(C)Oc1ccc([C@H](N)Cn2ccnc2)cc1 ZINC000023068023 167300766 /nfs/dbraw/zinc/30/07/66/167300766.db2.gz LMOZWKJGTUMZMA-CQSZACIVSA-N 0 3 245.326 2.370 10 0 BEAEHN CC(C)Oc1cccc([C@@H](O)CCN(C)C)c1 ZINC000041629333 167308873 /nfs/dbraw/zinc/30/88/73/167308873.db2.gz YEPGBRXWPHNMSK-AWEZNQCLSA-N 0 3 237.343 2.459 10 0 BEAEHN CC(C)[C@@H](C)N(C)[C@@H]1COc2ccccc2[C@@H]1N ZINC000036787137 167369485 /nfs/dbraw/zinc/36/94/85/167369485.db2.gz LHYHBBTVKBRCLC-KYOSRNDESA-N 0 3 248.370 2.424 10 0 BEAEHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccccc1N ZINC000036786513 167369598 /nfs/dbraw/zinc/36/95/98/167369598.db2.gz JOSSDHGMFSJIKR-LLVKDONJSA-N 0 3 249.358 2.184 10 0 BEAEHN CCC[C@@H](N)C(=O)N(C)CCC(C)(C)C ZINC000399796422 411065220 /nfs/dbraw/zinc/06/52/20/411065220.db2.gz UAGBAEKATFRSRC-SNVBAGLBSA-N 0 3 214.353 2.008 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)CCC(C)(C)C ZINC000399895078 411069154 /nfs/dbraw/zinc/06/91/54/411069154.db2.gz QHLNXWLYUZGJJD-WDEREUQCSA-N 0 3 228.380 2.254 10 0 BEAEHN CCC1CCC(NC(=O)C2(N)CCCC2)CC1 ZINC000042581996 411020085 /nfs/dbraw/zinc/02/00/85/411020085.db2.gz XROCBUQGOIRQGH-UHFFFAOYSA-N 0 3 238.375 2.343 10 0 BEAEHN CC[C@H](NC(=O)C1(N)CCCCC1)C(C)C ZINC000042592900 411022374 /nfs/dbraw/zinc/02/23/74/411022374.db2.gz DZPCRFNYGLSKBT-NSHDSACASA-N 0 3 226.364 2.199 10 0 BEAEHN CC(C)CN(CC(=O)NC(C)(C)C)C1CC1 ZINC000045751485 411148853 /nfs/dbraw/zinc/14/88/53/411148853.db2.gz NUXIPAGYTNNNMC-UHFFFAOYSA-N 0 3 226.364 2.022 10 0 BEAEHN CCC[C@@H](N[C@@H]1CCNC1=O)c1ccccc1 ZINC000658053032 411219880 /nfs/dbraw/zinc/21/98/80/411219880.db2.gz JMXKOZIQAKWRHZ-CHWSQXEVSA-N 0 3 232.327 2.006 10 0 BEAEHN O[C@@H]1CCC[C@H]1N1CCc2ccsc2C1 ZINC000660150385 411265565 /nfs/dbraw/zinc/26/55/65/411265565.db2.gz PPDUMYTZJVHFIG-GHMZBOCLSA-N 0 3 223.341 2.020 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1ccsc1 ZINC000658350371 411352075 /nfs/dbraw/zinc/35/20/75/411352075.db2.gz CWYHXQDLFHPRFJ-SILCLGDVSA-N 0 3 211.330 2.170 10 0 BEAEHN CC1CCC(CO)(NCc2ccco2)CC1 ZINC000053112950 168156828 /nfs/dbraw/zinc/15/68/28/168156828.db2.gz QXHYCCGDULXNGP-UHFFFAOYSA-N 0 3 223.316 2.310 10 0 BEAEHN CC(C)[C@@H](N)C(=O)N(C)C1CCC(C)CC1 ZINC000037805498 168158249 /nfs/dbraw/zinc/15/82/49/168158249.db2.gz HNJHEDXTILLXDM-HTAVTVPLSA-N 0 3 226.364 2.007 10 0 BEAEHN CC(C)c1nnc(C2(N)CCC(C)CC2)[nH]1 ZINC000041058467 168160609 /nfs/dbraw/zinc/16/06/09/168160609.db2.gz HBEJKEXTNKDAIU-UHFFFAOYSA-N 0 3 222.336 2.292 10 0 BEAEHN C[C@H](N)c1nnc(C2CCC(C)CC2)[nH]1 ZINC000061844033 168169343 /nfs/dbraw/zinc/16/93/43/168169343.db2.gz RDRBLDUEHDNFOJ-MGURRDGZSA-N 0 3 208.309 2.118 10 0 BEAEHN C[C@H](N)c1n[nH]c(C2CCC(C)CC2)n1 ZINC000061844033 168169346 /nfs/dbraw/zinc/16/93/46/168169346.db2.gz RDRBLDUEHDNFOJ-MGURRDGZSA-N 0 3 208.309 2.118 10 0 BEAEHN CCC(=O)CCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000190222262 168202998 /nfs/dbraw/zinc/20/29/98/168202998.db2.gz BNFHYLBJKVTBMV-CYBMUJFWSA-N 0 3 249.358 2.198 10 0 BEAEHN C([C@@H]1C[C@H]2C[C@H]2C1)N1CCN2CCCC[C@H]2C1 ZINC000660078703 411534006 /nfs/dbraw/zinc/53/40/06/411534006.db2.gz YTPQCJDKCXUCDM-XGUBFFRZSA-N 0 3 234.387 2.203 10 0 BEAEHN CC[C@@H](C)CNCc1cn2c(n1)CCCC2 ZINC000336750256 411509950 /nfs/dbraw/zinc/50/99/50/411509950.db2.gz ZJWHRCZSHHTUNN-LLVKDONJSA-N 0 3 221.348 2.355 10 0 BEAEHN Cc1c[nH]c(CNCC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000657456642 411517523 /nfs/dbraw/zinc/51/75/23/411517523.db2.gz WCVBLGLGVOAEGA-GHMZBOCLSA-N 0 3 237.347 2.011 10 0 BEAEHN CCN1CC[C@@H](N[C@@H]2CCCc3occc32)C1 ZINC000328380140 170014014 /nfs/dbraw/zinc/01/40/14/170014014.db2.gz VAZMPTJXRHWWDL-DGCLKSJQSA-N 0 3 234.343 2.341 10 0 BEAEHN CCN1CC[C@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000328355344 170022758 /nfs/dbraw/zinc/02/27/58/170022758.db2.gz OTQWKQQFLALOQA-RYUDHWBXSA-N 0 3 222.332 2.333 10 0 BEAEHN CCNC(=O)CN[C@@H](C)c1c(C)cc(C)cc1C ZINC000036780447 170065140 /nfs/dbraw/zinc/06/51/40/170065140.db2.gz ILZGTNZTRLQAPX-ZDUSSCGKSA-N 0 3 248.370 2.399 10 0 BEAEHN CCNCc1cc(C)nc(-c2cc(C)ccn2)n1 ZINC000104424234 170125125 /nfs/dbraw/zinc/12/51/25/170125125.db2.gz HHAABBRYFZXMTK-UHFFFAOYSA-N 0 3 242.326 2.265 10 0 BEAEHN CCNCc1cc(N2CC[C@H](C)C2)ccn1 ZINC000051448402 170125220 /nfs/dbraw/zinc/12/52/20/170125220.db2.gz FDHAPMDZVFOKQJ-NSHDSACASA-N 0 3 219.332 2.037 10 0 BEAEHN CCNCc1cnc(-c2cccs2)nc1 ZINC000054855727 170128988 /nfs/dbraw/zinc/12/89/88/170128988.db2.gz XDYJHVSJOLHCQW-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1cnc(-c2ccccn2)s1 ZINC000040996600 170129016 /nfs/dbraw/zinc/12/90/16/170129016.db2.gz UMBFRZCKXZRPNQ-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1cn2ccc(Cl)cc2n1 ZINC000076792595 170129375 /nfs/dbraw/zinc/12/93/75/170129375.db2.gz JWWPOGCFKMGDDV-UHFFFAOYSA-N 0 3 209.680 2.097 10 0 BEAEHN CCNCc1cnn(-c2ccccc2OC)c1C ZINC000062605837 170130153 /nfs/dbraw/zinc/13/01/53/170130153.db2.gz INGVZFMETJIIBF-UHFFFAOYSA-N 0 3 245.326 2.299 10 0 BEAEHN CCNCc1nccn1CCOCCC(C)C ZINC000051004669 170131250 /nfs/dbraw/zinc/13/12/50/170131250.db2.gz SMUHXTBDICMCGO-UHFFFAOYSA-N 0 3 239.363 2.055 10 0 BEAEHN CCNCc1sc(CSC)nc1COC ZINC000082445767 170132780 /nfs/dbraw/zinc/13/27/80/170132780.db2.gz DJKGQDSUEJWBGF-UHFFFAOYSA-N 0 3 246.401 2.262 10 0 BEAEHN CCN[C@@H](CO)c1ccc(F)c(Cl)c1 ZINC000083264180 170145579 /nfs/dbraw/zinc/14/55/79/170145579.db2.gz NNINNYLFIHDZRN-JTQLQIEISA-N 0 3 217.671 2.122 10 0 BEAEHN CCN[C@@H](c1cc(C)ccc1C)[C@@H]1COCCO1 ZINC000055300045 170147653 /nfs/dbraw/zinc/14/76/53/170147653.db2.gz DHHYXXNKXQERLW-GJZGRUSLSA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@@H](c1ccco1)[C@@H]1CCCOC1 ZINC000062234550 170148868 /nfs/dbraw/zinc/14/88/68/170148868.db2.gz UGRFARVEKRSUDG-ZYHUDNBSSA-N 0 3 209.289 2.357 10 0 BEAEHN CCN[C@@H](c1cnccn1)C1CCCC1 ZINC000037469126 170150098 /nfs/dbraw/zinc/15/00/98/170150098.db2.gz SIGJYGUALHGEIN-GFCCVEGCSA-N 0 3 205.305 2.317 10 0 BEAEHN CCN[C@@H]1CCN([C@@H](C)CCCC(C)C)C1=O ZINC000049649113 170151415 /nfs/dbraw/zinc/15/14/15/170151415.db2.gz RBKACTIUXQNQFX-QWHCGFSZSA-N 0 3 240.391 2.412 10 0 BEAEHN CCN[C@@H]1CCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000042864333 170151669 /nfs/dbraw/zinc/15/16/69/170151669.db2.gz ZZGOABCGMJXKFP-RWMBFGLXSA-N 0 3 238.375 2.023 10 0 BEAEHN CCN[C@@H]1CCN([C@H](C)c2cccs2)C1=O ZINC000049648757 170152864 /nfs/dbraw/zinc/15/28/64/170152864.db2.gz VZOADVKOOATAHI-NXEZZACHSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@@H]1CCOc2c(OC)cccc21 ZINC000035652566 170153292 /nfs/dbraw/zinc/15/32/92/170153292.db2.gz YKEKEPPOSVSNCJ-SNVBAGLBSA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@@H]1CC[S@@](=O)c2cc(F)c(F)cc21 ZINC000040976684 170154108 /nfs/dbraw/zinc/15/41/08/170154108.db2.gz ZOHIKKBCCPKWOK-HWPZZCPQSA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@@H]1CC[S@@](=O)c2cc(C)c(C)cc21 ZINC000040975100 170154119 /nfs/dbraw/zinc/15/41/19/170154119.db2.gz VDBKWOHFGIGVGE-WBMJQRKESA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@@H]1CC[S@](=O)c2c(F)cc(F)cc21 ZINC000040977139 170154401 /nfs/dbraw/zinc/15/44/01/170154401.db2.gz XOIMWNCQKHPCIR-QLJPJBMISA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@@H]1CC[S@](=O)c2cc(C)c(C)cc21 ZINC000040975104 170154503 /nfs/dbraw/zinc/15/45/03/170154503.db2.gz VDBKWOHFGIGVGE-MLGOLLRUSA-N 0 3 237.368 2.465 10 0 BEAEHN CCN[C@@](C)(CO)c1ccc(Cl)cc1 ZINC000038120160 170155468 /nfs/dbraw/zinc/15/54/68/170155468.db2.gz ZJYKDAIZXAFGGL-NSHDSACASA-N 0 3 213.708 2.157 10 0 BEAEHN CCN[C@H](C)c1c(OC)cc(OC)cc1OC ZINC000035543897 170159258 /nfs/dbraw/zinc/15/92/58/170159258.db2.gz YBAYAHWLXBRBAD-SECBINFHSA-N 0 3 239.315 2.383 10 0 BEAEHN CCN[C@H](C)c1cnc(-c2cnccn2)s1 ZINC000054159743 170159720 /nfs/dbraw/zinc/15/97/20/170159720.db2.gz HSGBRYAURJOINL-MRVPVSSYSA-N 0 3 234.328 2.271 10 0 BEAEHN CCN[C@H](CO)c1ccc(OC)c(C(C)C)c1 ZINC000071548105 170162213 /nfs/dbraw/zinc/16/22/13/170162213.db2.gz YXILGUXMFSHLIK-CYBMUJFWSA-N 0 3 237.343 2.462 10 0 BEAEHN CCN[C@H](C[C@@H]1CCCO1)c1cncc(F)c1 ZINC000049576346 170162248 /nfs/dbraw/zinc/16/22/48/170162248.db2.gz YRBDTSWDKNQQBW-QWHCGFSZSA-N 0 3 238.306 2.440 10 0 BEAEHN CCN[C@H](c1cc(C)ccc1C)[C@H]1COCCO1 ZINC000055300051 170162950 /nfs/dbraw/zinc/16/29/50/170162950.db2.gz DHHYXXNKXQERLW-HUUCEWRRSA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@H]1CC(C)(C)Cc2ncncc21 ZINC000050101227 170165567 /nfs/dbraw/zinc/16/55/67/170165567.db2.gz KEQYYUXZOUZCBH-JTQLQIEISA-N 0 3 205.305 2.100 10 0 BEAEHN CCN[C@H]1CCC[S@](=O)c2c(F)cccc21 ZINC000040976276 170167058 /nfs/dbraw/zinc/16/70/58/170167058.db2.gz NHCKQJDJQDTBDJ-MEDUHNTESA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@H]1CCN([C@@H]2CCCC[C@@H]2CC)C1=O ZINC000049649022 170168087 /nfs/dbraw/zinc/16/80/87/170168087.db2.gz QKWBCDYCIHZWSZ-RWMBFGLXSA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647116 170168234 /nfs/dbraw/zinc/16/82/34/170168234.db2.gz GBDWNOLCGJPFDJ-LBPRGKRZSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@H]1COc2c1cc(C)cc2OC ZINC000035652545 170168487 /nfs/dbraw/zinc/16/84/87/170168487.db2.gz VXFMZOVWYGBFKN-JTQLQIEISA-N 0 3 207.273 2.047 10 0 BEAEHN CCN[C@H]1CC[S@@](=O)c2cc(F)c(F)cc21 ZINC000040976686 170168874 /nfs/dbraw/zinc/16/88/74/170168874.db2.gz ZOHIKKBCCPKWOK-QFYYESIMSA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@H]1CCOc2cc(OC)ccc21 ZINC000082504659 170169151 /nfs/dbraw/zinc/16/91/51/170169151.db2.gz FDKRIARYLLVKQC-NSHDSACASA-N 0 3 207.273 2.128 10 0 BEAEHN CCOC(C)(C)CNCc1cccn1CC ZINC000166987631 170313264 /nfs/dbraw/zinc/31/32/64/170313264.db2.gz GRZLVHMVUKEJIX-UHFFFAOYSA-N 0 3 224.348 2.413 10 0 BEAEHN OCC1CC(NCc2cc(F)cc(Cl)c2)C1 ZINC000657810317 411602402 /nfs/dbraw/zinc/60/24/02/411602402.db2.gz AOFQELAMZIBWJI-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1ccccc1F ZINC000657810737 411602685 /nfs/dbraw/zinc/60/26/85/411602685.db2.gz JNPGSMMYWXEIMD-KPPDAEKUSA-N 0 3 223.291 2.247 10 0 BEAEHN CCCc1nccnc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000663662269 411717296 /nfs/dbraw/zinc/71/72/96/411717296.db2.gz TZMUKJKPDVFEES-NEPJUHHUSA-N 0 3 248.374 2.324 10 0 BEAEHN CCc1nnc(CN[C@H](C)C(C)(C)CC)n1C ZINC000661232330 411737126 /nfs/dbraw/zinc/73/71/26/411737126.db2.gz DEMZDIFVQWNMED-SNVBAGLBSA-N 0 3 238.379 2.292 10 0 BEAEHN CCCc1nccnc1NCC1=CCN(C)CC1 ZINC000663775958 411744592 /nfs/dbraw/zinc/74/45/92/411744592.db2.gz NJASINNDZVJAEQ-UHFFFAOYSA-N 0 3 246.358 2.103 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000042868196 170778261 /nfs/dbraw/zinc/77/82/61/170778261.db2.gz WIAJHUUKKRBRNA-MROQNXINSA-N 0 3 240.391 2.302 10 0 BEAEHN CC[C@@H]1CO[C@H](c2cc(C)oc2C)CN1 ZINC000036672700 171113750 /nfs/dbraw/zinc/11/37/50/171113750.db2.gz GQSUYZRITCCLJS-PWSUYJOCSA-N 0 3 209.289 2.336 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccc(C)cc2)CN1 ZINC000036672916 171114082 /nfs/dbraw/zinc/11/40/82/171114082.db2.gz OEINTKBGROAEND-OLZOCXBDSA-N 0 3 205.301 2.435 10 0 BEAEHN CC[C@@H]1CO[C@H](c2cc(F)ccc2F)CN1 ZINC000036672792 171114859 /nfs/dbraw/zinc/11/48/59/171114859.db2.gz NRCTXZGBUBTUJR-SKDRFNHKSA-N 0 3 227.254 2.404 10 0 BEAEHN CC[C@H](C(=O)N[C@H](C)c1ccc(C)o1)N(C)C ZINC000124796547 171233137 /nfs/dbraw/zinc/23/31/37/171233137.db2.gz GAZZISYFTCJVRH-GHMZBOCLSA-N 0 3 238.331 2.105 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1ccccc1OC ZINC000020036565 171339108 /nfs/dbraw/zinc/33/91/08/171339108.db2.gz OFXRYLXEAXDHOM-JTQLQIEISA-N 0 3 236.315 2.022 10 0 BEAEHN CC[C@H](C)NCc1cc(OC)cc(C)n1 ZINC000125952497 171343326 /nfs/dbraw/zinc/34/33/26/171343326.db2.gz FNTCSMSDRMFSNU-VIFPVBQESA-N 0 3 208.305 2.287 10 0 BEAEHN CC[C@H](C)NCc1cn2c(n1)CCCC2 ZINC000268833483 171344159 /nfs/dbraw/zinc/34/41/59/171344159.db2.gz KQEDIXUXYDZCID-JTQLQIEISA-N 0 3 207.321 2.108 10 0 BEAEHN CC[C@H](C)N[C@@](CC)(C(N)=O)c1ccccc1 ZINC000038065699 171347542 /nfs/dbraw/zinc/34/75/42/171347542.db2.gz MHCSUHAVPAFWEU-SMDDNHRTSA-N 0 3 234.343 2.165 10 0 BEAEHN CC[C@H](C)Oc1cccc(NC(=O)[C@H](C)N)c1 ZINC000051781072 171356081 /nfs/dbraw/zinc/35/60/81/171356081.db2.gz ONGNFWCYQBWAEL-UWVGGRQHSA-N 0 3 236.315 2.150 10 0 BEAEHN CC[C@H](C)[C@@H](C)N[C@@H]1CCCn2ncnc21 ZINC000122693760 171366951 /nfs/dbraw/zinc/36/69/51/171366951.db2.gz QDGXPFUEQZJIPY-HBNTYKKESA-N 0 3 222.336 2.137 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nnc(C)n1C(C)C ZINC000042030901 171372850 /nfs/dbraw/zinc/37/28/50/171372850.db2.gz FQMPABBMVMOZJU-WCBMZHEXSA-N 0 3 210.325 2.213 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000042273526 171393425 /nfs/dbraw/zinc/39/34/25/171393425.db2.gz JMAZYJQNTUHYKK-LOWDOPEQSA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366343687 171394592 /nfs/dbraw/zinc/39/45/92/171394592.db2.gz CEHFQASNCMDTQR-RNJOBUHISA-N 0 3 238.375 2.151 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nnc2n1CCCCC2 ZINC000036896169 171397586 /nfs/dbraw/zinc/39/75/86/171397586.db2.gz RJDBVEMMCJBBOW-ONGXEEELSA-N 0 3 222.336 2.050 10 0 BEAEHN CCC[C@H]1C[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662517108 412202899 /nfs/dbraw/zinc/20/28/99/412202899.db2.gz QVIHGFBVBBNTCY-HZMBPMFUSA-N 0 3 244.338 2.208 10 0 BEAEHN CC[C@@H](C)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000662628435 412245724 /nfs/dbraw/zinc/24/57/24/412245724.db2.gz ZRAQXFUEZXPAAS-DGCLKSJQSA-N 0 3 226.364 2.071 10 0 BEAEHN CC[C@H](C)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000662628436 412246024 /nfs/dbraw/zinc/24/60/24/412246024.db2.gz ZRAQXFUEZXPAAS-WCQYABFASA-N 0 3 226.364 2.071 10 0 BEAEHN CCc1nc([C@@H]2CCCO2)sc1CN ZINC000082423964 172003777 /nfs/dbraw/zinc/00/37/77/172003777.db2.gz MROUGMQSJTVRMC-QMMMGPOBSA-N 0 3 212.318 2.016 10 0 BEAEHN CCc1nc([C@H](N)C2CCOCC2)sc1C ZINC000052179413 172006727 /nfs/dbraw/zinc/00/67/27/172006727.db2.gz VTEATWNJLSSZTL-LLVKDONJSA-N 0 3 240.372 2.440 10 0 BEAEHN CCc1noc(C)c1CN(C[C@H](C)O)C(C)C ZINC000119040791 172076472 /nfs/dbraw/zinc/07/64/72/172076472.db2.gz OJGJXZTXSNFNON-JTQLQIEISA-N 0 3 240.347 2.137 10 0 BEAEHN CCn1c2ccccc2cc(CNC2CC2)c1=O ZINC000039287562 172131945 /nfs/dbraw/zinc/13/19/45/172131945.db2.gz YTQPQGSGFQWAFK-UHFFFAOYSA-N 0 3 242.322 2.273 10 0 BEAEHN CCn1c(CNC2CC2)nc2ccc(F)cc21 ZINC000052124664 172145449 /nfs/dbraw/zinc/14/54/49/172145449.db2.gz HFQGZTBKPUKZNG-UHFFFAOYSA-N 0 3 233.290 2.447 10 0 BEAEHN CCn1cc([C@@H](N)c2ccccc2F)cn1 ZINC000062774610 172195216 /nfs/dbraw/zinc/19/52/16/172195216.db2.gz DKHGEFCOOCCLDD-GFCCVEGCSA-N 0 3 219.263 2.090 10 0 BEAEHN CCn1cccc1CNC[C@@H](O)CC(C)(C)C ZINC000226071131 172208256 /nfs/dbraw/zinc/20/82/56/172208256.db2.gz JALAKUKYIJSRIK-ZDUSSCGKSA-N 0 3 238.375 2.395 10 0 BEAEHN CCn1nc(C)c([C@H](C)NC2CC2)c1C ZINC000045166813 172248331 /nfs/dbraw/zinc/24/83/31/172248331.db2.gz QGISATWMHUTRPE-QMMMGPOBSA-N 0 3 207.321 2.333 10 0 BEAEHN CN(C(=O)C(C)(C)C)c1cccc(CN)c1 ZINC000061950278 172295136 /nfs/dbraw/zinc/29/51/36/172295136.db2.gz QGGPOPLXGYZHET-UHFFFAOYSA-N 0 3 220.316 2.154 10 0 BEAEHN CN(C)CCSc1nc2cc(N)ccc2o1 ZINC000042143047 172474530 /nfs/dbraw/zinc/47/45/30/172474530.db2.gz VDNQXRLZFQMZHB-UHFFFAOYSA-N 0 3 237.328 2.064 10 0 BEAEHN CN(CCc1ccccc1)[C@@H](CN)c1ccco1 ZINC000020225282 172781704 /nfs/dbraw/zinc/78/17/04/172781704.db2.gz XSMJKIQCTDQCFU-AWEZNQCLSA-N 0 3 244.338 2.454 10 0 BEAEHN CN(Cc1cscn1)[C@@H](CN)c1ccccc1 ZINC000042863463 172923420 /nfs/dbraw/zinc/92/34/20/172923420.db2.gz YSZWQQHZTYEIJQ-ZDUSSCGKSA-N 0 3 247.367 2.275 10 0 BEAEHN CN1CCC[C@@](C)(c2cccc(O)c2)C1 ZINC000027564289 173035454 /nfs/dbraw/zinc/03/54/54/173035454.db2.gz IBRMGIQKMQEATN-CYBMUJFWSA-N 0 3 205.301 2.376 10 0 BEAEHN CN1CCC[C@H](COc2ccc(F)cc2N)C1 ZINC000020352136 173041963 /nfs/dbraw/zinc/04/19/63/173041963.db2.gz RAIIJUTZJDGQSB-JTQLQIEISA-N 0 3 238.306 2.129 10 0 BEAEHN CN1CC[C@@H](Nc2ccccc2N2CCCC2)C1 ZINC000061985225 173125508 /nfs/dbraw/zinc/12/55/08/173125508.db2.gz OYPSDTJNEACHAE-CYBMUJFWSA-N 0 3 245.370 2.403 10 0 BEAEHN Cn1nc(-c2ccccc2)c2c1CCN(C)C2 ZINC000105960733 173167648 /nfs/dbraw/zinc/16/76/48/173167648.db2.gz SLXBEFLZZPLAQQ-UHFFFAOYSA-N 0 3 227.311 2.075 10 0 BEAEHN CN1CCc2nc(CNC(C)(C)C)sc2C1 ZINC000053295626 173174559 /nfs/dbraw/zinc/17/45/59/173174559.db2.gz JTOBZQDOTMZTKP-UHFFFAOYSA-N 0 3 239.388 2.019 10 0 BEAEHN CNC(=O)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037224818 173277753 /nfs/dbraw/zinc/27/77/53/173277753.db2.gz LMTBJDYVBCHLLQ-NSHDSACASA-N 0 3 248.370 2.381 10 0 BEAEHN CNC(=O)CN[C@@H]1c2ccccc2CCC1(C)C ZINC000156726475 173278057 /nfs/dbraw/zinc/27/80/57/173278057.db2.gz QSLWXYIXCCAODI-CQSZACIVSA-N 0 3 246.354 2.036 10 0 BEAEHN CNC(=O)[C@H](C)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000042228747 173303780 /nfs/dbraw/zinc/30/37/80/173303780.db2.gz MGMLDYORYMEKOC-FZMZJTMJSA-N 0 3 246.354 2.170 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(SC)cc1 ZINC000061300099 173318476 /nfs/dbraw/zinc/31/84/76/173318476.db2.gz SEVGIKTYSIMEQG-UHFFFAOYSA-N 0 3 238.356 2.345 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc2ncccc2c1 ZINC000061319340 173318624 /nfs/dbraw/zinc/31/86/24/173318624.db2.gz ZGMMNKBQKYNFEH-UHFFFAOYSA-N 0 3 243.310 2.171 10 0 BEAEHN CNC(C)(C)c1n[nH]c(C2CCCCC2)n1 ZINC000061152006 173320997 /nfs/dbraw/zinc/32/09/97/173320997.db2.gz UQWVSKHQDLALSX-UHFFFAOYSA-N 0 3 222.336 2.307 10 0 BEAEHN C[NH2+]C(C)(C)c1nnc(C2CCCCC2)[n-]1 ZINC000061152006 173320999 /nfs/dbraw/zinc/32/09/99/173320999.db2.gz UQWVSKHQDLALSX-UHFFFAOYSA-N 0 3 222.336 2.307 10 0 BEAEHN CNC(C)(C)c1nnc(C2CCCCC2)[nH]1 ZINC000061152006 173321001 /nfs/dbraw/zinc/32/10/01/173321001.db2.gz UQWVSKHQDLALSX-UHFFFAOYSA-N 0 3 222.336 2.307 10 0 BEAEHN CNC1(c2nccs2)CCSCC1 ZINC000041060446 173322189 /nfs/dbraw/zinc/32/21/89/173322189.db2.gz BHGXZSWVJABQLP-UHFFFAOYSA-N 0 3 214.359 2.085 10 0 BEAEHN CNCC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000019518542 173332450 /nfs/dbraw/zinc/33/24/50/173332450.db2.gz WQYHDOGFNQAWHT-UHFFFAOYSA-N 0 3 247.125 2.460 10 0 BEAEHN CNCc1c(N2CCC[C@H]2C)nc2ccccn21 ZINC000037911840 173384644 /nfs/dbraw/zinc/38/46/44/173384644.db2.gz LTHPWHHNZVJMOD-LLVKDONJSA-N 0 3 244.342 2.042 10 0 BEAEHN CNCc1c(C)nn(Cc2ccc(F)cc2)c1C ZINC000036868475 173385212 /nfs/dbraw/zinc/38/52/12/173385212.db2.gz DKQCUOPTYJEREJ-UHFFFAOYSA-N 0 3 247.317 2.407 10 0 BEAEHN CNCc1c(C)nn(C)c1Oc1cccc(F)c1 ZINC000034664736 173385275 /nfs/dbraw/zinc/38/52/75/173385275.db2.gz QIZBXFOYILHMAV-UHFFFAOYSA-N 0 3 249.289 2.379 10 0 BEAEHN CNCc1cc(-n2cccn2)c2ccccc2n1 ZINC000103925029 173386401 /nfs/dbraw/zinc/38/64/01/173386401.db2.gz MNHQBEFWFXAXOX-UHFFFAOYSA-N 0 3 238.294 2.140 10 0 BEAEHN CNCc1cc(N(C)Cc2ccoc2)ccn1 ZINC000051492073 173387270 /nfs/dbraw/zinc/38/72/70/173387270.db2.gz PSLSMQNISFWVGZ-UHFFFAOYSA-N 0 3 231.299 2.030 10 0 BEAEHN CNCc1cc2c(cc1OCC=C(C)C)OCO2 ZINC000042874206 173387538 /nfs/dbraw/zinc/38/75/38/173387538.db2.gz YTACOXJSMRETEV-UHFFFAOYSA-N 0 3 249.310 2.480 10 0 BEAEHN CNCc1ccnc([C@H]2CCC[C@H](C)C2)n1 ZINC000054791158 173390936 /nfs/dbraw/zinc/39/09/36/173390936.db2.gz ACFJDPRJKJCXQH-QWRGUYRKSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cccnc1N1CCCCCC1 ZINC000051400020 173391501 /nfs/dbraw/zinc/39/15/01/173391501.db2.gz ISCQXQWRJWBGES-UHFFFAOYSA-N 0 3 219.332 2.181 10 0 BEAEHN CNCc1cnc(N2CCCC[C@H]2C)s1 ZINC000054900193 173392542 /nfs/dbraw/zinc/39/25/42/173392542.db2.gz BCUPZJBFWDUGNQ-SECBINFHSA-N 0 3 225.361 2.241 10 0 BEAEHN CNCc1cnc(N2C[C@H](C)C[C@H](C)C2)s1 ZINC000054899686 173392608 /nfs/dbraw/zinc/39/26/08/173392608.db2.gz FTSKHYNBSXNPNE-AOOOYVTPSA-N 0 3 239.388 2.345 10 0 BEAEHN CNCc1cnc(Cc2csc(C)n2)s1 ZINC000055296433 173392612 /nfs/dbraw/zinc/39/26/12/173392612.db2.gz GLFFOOMULARPPW-UHFFFAOYSA-N 0 3 239.369 2.218 10 0 BEAEHN CNCc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000036877228 173397545 /nfs/dbraw/zinc/39/75/45/173397545.db2.gz CYFBJDIPXALEEB-UHFFFAOYSA-N 0 3 221.691 2.450 10 0 BEAEHN CNc1ccc(C(F)(F)F)cc1CN ZINC000050423060 173478306 /nfs/dbraw/zinc/47/83/06/173478306.db2.gz KMKNNLVNRIYJBJ-UHFFFAOYSA-N 0 3 204.195 2.206 10 0 BEAEHN COC(=O)c1ccc([C@@H]2CCCN(C)C2)cc1 ZINC000075906420 173888013 /nfs/dbraw/zinc/88/80/13/173888013.db2.gz JXWNHTQWPGVAIV-CYBMUJFWSA-N 0 3 233.311 2.282 10 0 BEAEHN COCCCN(Cc1ccccc1N)C1CC1 ZINC000037753933 174226733 /nfs/dbraw/zinc/22/67/33/174226733.db2.gz UCYABOKGBJXVKP-UHFFFAOYSA-N 0 3 234.343 2.270 10 0 BEAEHN COCCCO[C@@H](C)[C@@H](N)c1ccc(C)cc1 ZINC000037747095 174255989 /nfs/dbraw/zinc/25/59/89/174255989.db2.gz WMRLSMTXSCDDCV-GXTWGEPZSA-N 0 3 237.343 2.436 10 0 BEAEHN COCCCO[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000037747113 174256209 /nfs/dbraw/zinc/25/62/09/174256209.db2.gz HEMSXNJOFRNSBH-CABCVRRESA-N 0 3 249.354 2.444 10 0 BEAEHN COCCCO[C@@H](C)[C@H](N)c1ccc(C)cc1 ZINC000037747096 174256545 /nfs/dbraw/zinc/25/65/45/174256545.db2.gz WMRLSMTXSCDDCV-JSGCOSHPSA-N 0 3 237.343 2.436 10 0 BEAEHN COCCCO[C@H]1CCCc2ccccc2[C@H]1N ZINC000037747116 174256951 /nfs/dbraw/zinc/25/69/51/174256951.db2.gz HEMSXNJOFRNSBH-LSDHHAIUSA-N 0 3 249.354 2.444 10 0 BEAEHN COCCNCc1cc(Cl)ccc1C ZINC000083347664 174335018 /nfs/dbraw/zinc/33/50/18/174335018.db2.gz WJYNSAAWLNBJJV-UHFFFAOYSA-N 0 3 213.708 2.384 10 0 BEAEHN COCC[C@@H](N)c1nc2cc(Cl)ccc2[nH]1 ZINC000052785190 174393264 /nfs/dbraw/zinc/39/32/64/174393264.db2.gz WHBQSABEKVYFBI-MRVPVSSYSA-N 0 3 239.706 2.253 10 0 BEAEHN COCC[C@@H](N)c1nc2ccc(Cl)cc2[nH]1 ZINC000052785190 174393265 /nfs/dbraw/zinc/39/32/65/174393265.db2.gz WHBQSABEKVYFBI-MRVPVSSYSA-N 0 3 239.706 2.253 10 0 BEAEHN COc1cc(Oc2cc(C)ncn2)ccc1CN ZINC000011849423 175012891 /nfs/dbraw/zinc/01/28/91/175012891.db2.gz QZKLXTWPXGQUTO-UHFFFAOYSA-N 0 3 245.282 2.045 10 0 BEAEHN COc1cc([C@@H](C)N[C@H](C)CCO)ccc1F ZINC000124023423 175014468 /nfs/dbraw/zinc/01/44/68/175014468.db2.gz IEBFSFQMOKVPMW-NXEZZACHSA-N 0 3 241.306 2.256 10 0 BEAEHN COc1cc([C@@H]2CCCN(C)C2)ccc1N ZINC000075906355 175014936 /nfs/dbraw/zinc/01/49/36/175014936.db2.gz ZFSUHCWWEUIUHP-LLVKDONJSA-N 0 3 220.316 2.087 10 0 BEAEHN COc1cc2ccn(C)c3ccnc(c1O)c23 ZINC000038313430 175027277 /nfs/dbraw/zinc/02/72/77/175027277.db2.gz FTOJYZQUGOVWIX-UHFFFAOYSA-N 0 3 228.251 2.441 10 0 BEAEHN COc1cc2nc(N)n(CC(C)C)c2cc1OC ZINC000075415214 175028404 /nfs/dbraw/zinc/02/84/04/175028404.db2.gz KJAJFHVTWMLGPQ-UHFFFAOYSA-N 0 3 249.314 2.292 10 0 BEAEHN COc1ccc(-c2cncc(CN)c2)cc1 ZINC000082642476 175037106 /nfs/dbraw/zinc/03/71/06/175037106.db2.gz ZJLOYPZGDCNJNB-UHFFFAOYSA-N 0 3 214.268 2.216 10 0 BEAEHN COc1ccc(-c2nc([C@H](C)N)c[nH]2)cc1 ZINC000082517058 175040092 /nfs/dbraw/zinc/04/00/92/175040092.db2.gz XKJIIHIJVXCSLK-QMMMGPOBSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1ccc(C(=O)[C@H]2CCCN2)cc1Cl ZINC000036164266 175066227 /nfs/dbraw/zinc/06/62/27/175066227.db2.gz LWMHNPWILCUUDC-SNVBAGLBSA-N 0 3 239.702 2.283 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)CN(C)C1CC1 ZINC000037080996 175080012 /nfs/dbraw/zinc/08/00/12/175080012.db2.gz MCAAMWNWJUJHHJ-ZDUSSCGKSA-N 0 3 234.343 2.098 10 0 BEAEHN COc1ccc(C)cc1[C@@H]1CNC[C@H](C)O1 ZINC000036986394 175080584 /nfs/dbraw/zinc/08/05/84/175080584.db2.gz NMYBQXPYFLOTIC-GWCFXTLKSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(CC[C@@H]2COC[C@@H](C)N2)cc1 ZINC000071545519 175093645 /nfs/dbraw/zinc/09/36/45/175093645.db2.gz CHLMCFVSTDKEHN-DGCLKSJQSA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccc(CN2CCC[C@H](O)[C@H]2C)cc1 ZINC000294998342 175099218 /nfs/dbraw/zinc/09/92/18/175099218.db2.gz LBYMTZCZCCKVLE-RISCZKNCSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccc(CO)cc1CN1CCCCC1 ZINC000045206450 175113512 /nfs/dbraw/zinc/11/35/12/175113512.db2.gz VAFRGSHIDURSHM-UHFFFAOYSA-N 0 3 235.327 2.173 10 0 BEAEHN COc1ccc(NC(=O)[C@](C)(N)C2CC2)c(C)c1 ZINC000061568195 175147190 /nfs/dbraw/zinc/14/71/90/175147190.db2.gz ZLAIYFFIUKFRJB-CQSZACIVSA-N 0 3 248.326 2.070 10 0 BEAEHN COc1ccc(NC2=NCCC2)cc1OC ZINC000003866627 175149164 /nfs/dbraw/zinc/14/91/64/175149164.db2.gz OSUCKILPSZIRAC-UHFFFAOYSA-N 0 3 220.272 2.308 10 0 BEAEHN COc1ccc(OC)c([C@@H](N)c2ccncc2)c1 ZINC000011832481 175167770 /nfs/dbraw/zinc/16/77/70/175167770.db2.gz FZGXDHVVHWGMHP-AWEZNQCLSA-N 0 3 244.294 2.147 10 0 BEAEHN COc1ccc([C@@H](CO)NC(C)C)cc1Cl ZINC000071558207 175179324 /nfs/dbraw/zinc/17/93/24/175179324.db2.gz QETGMHLLALDJBK-LLVKDONJSA-N 0 3 243.734 2.380 10 0 BEAEHN COc1ccc([C@@H]2CNC(C)(C)CO2)cc1 ZINC000011803227 175183784 /nfs/dbraw/zinc/18/37/84/175183784.db2.gz HVORQVGDKYCERE-LBPRGKRZSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccc([C@@](C)(N)c2cccnc2)cc1 ZINC000037761482 175186434 /nfs/dbraw/zinc/18/64/34/175186434.db2.gz MPHFTOVJGRGZCA-CQSZACIVSA-N 0 3 228.295 2.312 10 0 BEAEHN COc1ccc([C@H](C)N[C@H]2C[C@H]2C)cc1O ZINC000289822283 175190381 /nfs/dbraw/zinc/19/03/81/175190381.db2.gz PXHSNUVYICEARC-YWVKMMECSA-N 0 3 221.300 2.460 10 0 BEAEHN COc1ccc([C@H](N)[C@@H]2CCCCO2)c(F)c1 ZINC000050962710 175192247 /nfs/dbraw/zinc/19/22/47/175192247.db2.gz NDPOXHQGZOTJHY-STQMWFEESA-N 0 3 239.290 2.403 10 0 BEAEHN COc1ccc([C@H](N)Cn2nc(C)cc2C)cc1 ZINC000011849933 175192338 /nfs/dbraw/zinc/19/23/38/175192338.db2.gz RMKSFPQYMCPPLM-CQSZACIVSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccc2c(c1)CC[C@H](n1cccn1)[C@H]2N ZINC000019270986 175209630 /nfs/dbraw/zinc/20/96/30/175209630.db2.gz COYSHJQTPLECRV-KBPBESRZSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1ccc2c(c1)nc(N)n2C(C)(C)C ZINC000075947311 175220251 /nfs/dbraw/zinc/22/02/51/175220251.db2.gz QKKLDTUOJYDROW-UHFFFAOYSA-N 0 3 219.288 2.382 10 0 BEAEHN COc1ccc2nc(C(C)(C)N)sc2c1 ZINC000045236818 175227916 /nfs/dbraw/zinc/22/79/16/175227916.db2.gz TYDVTGBTVBHQLS-UHFFFAOYSA-N 0 3 222.313 2.499 10 0 BEAEHN COc1cccc(CNc2nccn2C)c1 ZINC000008699738 175268895 /nfs/dbraw/zinc/26/88/95/175268895.db2.gz DGDGVFZKGXJLCS-UHFFFAOYSA-N 0 3 217.272 2.041 10 0 BEAEHN COc1cccc([C@H](N)CN2CCCCC2)c1 ZINC000019821400 175293945 /nfs/dbraw/zinc/29/39/45/175293945.db2.gz RFPXTMTXNWXLFQ-CQSZACIVSA-N 0 3 234.343 2.181 10 0 BEAEHN COc1ccccc1-c1nc(CN)cs1 ZINC000040414601 175310802 /nfs/dbraw/zinc/31/08/02/175310802.db2.gz KHQIHGXGSYZUBV-UHFFFAOYSA-N 0 3 220.297 2.277 10 0 BEAEHN COc1ccccc1Nc1ccncc1N ZINC000020584754 175340166 /nfs/dbraw/zinc/34/01/66/175340166.db2.gz UROYMAJNQYFXDE-UHFFFAOYSA-N 0 3 215.256 2.416 10 0 BEAEHN COc1ccccc1O[C@@H]1CCCCN1 ZINC000095929907 175342908 /nfs/dbraw/zinc/34/29/08/175342908.db2.gz HDVBILJGOVKRDH-GFCCVEGCSA-N 0 3 207.273 2.174 10 0 BEAEHN COc1ccccc1[C@@H](O)CN1CCCCC1 ZINC000019784931 175347527 /nfs/dbraw/zinc/34/75/27/175347527.db2.gz GKILLQMBDUYYPL-ZDUSSCGKSA-N 0 3 235.327 2.215 10 0 BEAEHN COc1ncccc1[C@@H](N)c1ccccc1 ZINC000061443060 175411234 /nfs/dbraw/zinc/41/12/34/175411234.db2.gz OUTXNFJBDFMUCJ-LBPRGKRZSA-N 0 3 214.268 2.138 10 0 BEAEHN C[C@@H](c1cccs1)N1CCC[C@H](O)C1 ZINC000095089049 176033986 /nfs/dbraw/zinc/03/39/86/176033986.db2.gz JEOARMHSRANYEO-UWVGGRQHSA-N 0 3 211.330 2.266 10 0 BEAEHN C[C@@H](c1cccs1)N1CCC[C@@H](O)C1 ZINC000095089037 176034415 /nfs/dbraw/zinc/03/44/15/176034415.db2.gz JEOARMHSRANYEO-VHSXEESVSA-N 0 3 211.330 2.266 10 0 BEAEHN C[C@@H]1CC(N)=NN1c1cccc(Cl)c1 ZINC000034090140 176053399 /nfs/dbraw/zinc/05/33/99/176053399.db2.gz CBBMDRWTCCWIAE-SSDOTTSWSA-N 0 3 209.680 2.211 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@](C)(N)C1CC1 ZINC000042868547 176076544 /nfs/dbraw/zinc/07/65/44/176076544.db2.gz CEGPEHGQGLBMFI-JTNHKYCSSA-N 0 3 238.375 2.056 10 0 BEAEHN C[C@@H]1CCCC[C@]1(NCc1ccccc1)C(N)=O ZINC000037941224 176091170 /nfs/dbraw/zinc/09/11/70/176091170.db2.gz PTJVKHBUKUARNV-IUODEOHRSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)CC(C)(C)C)N1 ZINC000045089372 176112983 /nfs/dbraw/zinc/11/29/83/176112983.db2.gz RCPOBHHSQXJQLY-MNOVXSKESA-N 0 3 226.364 2.022 10 0 BEAEHN C[C@@H]1CCC[C@@H](Oc2cc(CN)ccn2)C1 ZINC000034958119 176125040 /nfs/dbraw/zinc/12/50/40/176125040.db2.gz XZJVUWGPHXZAGW-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3C2)N1 ZINC000050912606 176135287 /nfs/dbraw/zinc/13/52/87/176135287.db2.gz WMRUMDZKXGIQII-BXUZGUMPSA-N 0 3 244.338 2.059 10 0 BEAEHN C[C@@H]1CCC[C@H](Oc2ccnc(C(=N)N)c2)C1 ZINC000061814586 176146016 /nfs/dbraw/zinc/14/60/16/176146016.db2.gz VCDPDVNXLORFBP-ZJUUUORDSA-N 0 3 233.315 2.323 10 0 BEAEHN C[C@@H]1CCC[C@H](Oc2ccc(CN)cn2)C1 ZINC000034958113 176146428 /nfs/dbraw/zinc/14/64/28/176146428.db2.gz HKRBUKILSDYFOM-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCN(Cc2ccoc2CN)[C@H](C)C1 ZINC000052510017 176178466 /nfs/dbraw/zinc/17/84/66/176178466.db2.gz BYRAVZDZCLJHLC-GHMZBOCLSA-N 0 3 222.332 2.359 10 0 BEAEHN C[C@@H]1CCN([C@@H](CN)c2ccccc2F)C1 ZINC000044372456 176180552 /nfs/dbraw/zinc/18/05/52/176180552.db2.gz ROEIWNGZCARBDZ-MFKMUULPSA-N 0 3 222.307 2.167 10 0 BEAEHN C[C@@H]1CCNCc2nc(-c3ccccn3)oc21 ZINC000091301869 176186040 /nfs/dbraw/zinc/18/60/40/176186040.db2.gz DBALDJNUIDSXOB-SECBINFHSA-N 0 3 229.283 2.333 10 0 BEAEHN C[C@@H]1CC[C@H](O)[C@H](CN(C)Cc2cccnc2)C1 ZINC000053883662 176235320 /nfs/dbraw/zinc/23/53/20/176235320.db2.gz DJJZUPHUSLLLNI-SNPRPXQTSA-N 0 3 248.370 2.311 10 0 BEAEHN C[C@@H]1COC[C@H](CCc2ccc(F)cc2)N1 ZINC000071525010 176346880 /nfs/dbraw/zinc/34/68/80/176346880.db2.gz YEOPIIHSWQHSTP-MFKMUULPSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(CN)o2)C1 ZINC000052420642 176361709 /nfs/dbraw/zinc/36/17/09/176361709.db2.gz JSSMRNACWYUQKE-GHMZBOCLSA-N 0 3 222.332 2.216 10 0 BEAEHN C[C@@H]1C[C@@H]1CN(C)c1nc2c(cc1CN)CCC2 ZINC000104417686 176391418 /nfs/dbraw/zinc/39/14/18/176391418.db2.gz PUJRZYVGBHXGLF-ZWNOBZJWSA-N 0 3 245.370 2.121 10 0 BEAEHN C[C@H](NCCc1ccc(F)cc1)c1cc[nH]n1 ZINC000037906393 176853477 /nfs/dbraw/zinc/85/34/77/176853477.db2.gz IJSABYITSRQLIF-JTQLQIEISA-N 0 3 233.290 2.442 10 0 BEAEHN C[C@H](O)c1ccccc1N[C@@H]1CCN(C2CC2)C1 ZINC000061983826 177017858 /nfs/dbraw/zinc/01/78/58/177017858.db2.gz FSLWLEYLBOVHKS-NWDGAFQWSA-N 0 3 246.354 2.389 10 0 BEAEHN C[C@H](c1ccc(Cl)s1)N1CC[C@@H](N)C1=O ZINC000049649066 177033462 /nfs/dbraw/zinc/03/34/62/177033462.db2.gz ADKXGVQTJWMXLM-RNFRBKRXSA-N 0 3 244.747 2.022 10 0 BEAEHN C[C@H](c1ccco1)N1CCC(CO)CC1 ZINC000074154844 177048451 /nfs/dbraw/zinc/04/84/51/177048451.db2.gz KWFUASMUGDQTFW-SNVBAGLBSA-N 0 3 209.289 2.045 10 0 BEAEHN C[C@H]1CCCC[C@@H]1NCc1nccn1C ZINC000034937813 177083750 /nfs/dbraw/zinc/08/37/50/177083750.db2.gz CSUDAPHSSUXYJZ-QWRGUYRKSA-N 0 3 207.321 2.088 10 0 BEAEHN C[C@H]1CCCN1[C@@H](CN)c1ccccc1F ZINC000037910324 177111614 /nfs/dbraw/zinc/11/16/14/177111614.db2.gz DRDGZLNSKHLKEX-GWCFXTLKSA-N 0 3 222.307 2.310 10 0 BEAEHN C[C@H]1CCCN1[C@@H](CN)c1cc(F)ccc1F ZINC000037910220 177111865 /nfs/dbraw/zinc/11/18/65/177111865.db2.gz LSAZRZVADYMZJG-ZANVPECISA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)N1 ZINC000019479801 177112852 /nfs/dbraw/zinc/11/28/52/177112852.db2.gz ULIPTJZIMZIANI-JSGCOSHPSA-N 0 3 246.354 2.176 10 0 BEAEHN C[C@H]1CCC[C@@H](N(C)C(=O)C2(N)CCCC2)C1 ZINC000042495046 177120323 /nfs/dbraw/zinc/12/03/23/177120323.db2.gz WAPOXYDTKFLJEZ-NWDGAFQWSA-N 0 3 238.375 2.295 10 0 BEAEHN C[C@H]1CCC[C@@H](c2nccc(CN)n2)C1 ZINC000054791066 177123450 /nfs/dbraw/zinc/12/34/50/177123450.db2.gz MJOUPGHWWBAVRX-VHSXEESVSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)Nc2ccccc2F)N1 ZINC000019509175 177129443 /nfs/dbraw/zinc/12/94/43/177129443.db2.gz NPZYWUWVHUZOLS-JOYOIKCWSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@H]1CN(C[C@H](N)c2ccccc2)CC(C)(C)O1 ZINC000045685363 177259174 /nfs/dbraw/zinc/25/91/74/177259174.db2.gz JWXXAIBTBUPTOL-JSGCOSHPSA-N 0 3 248.370 2.186 10 0 BEAEHN C[C@H]1CN(c2ccccc2Cl)N=C1N ZINC000114824428 177277595 /nfs/dbraw/zinc/27/75/95/177277595.db2.gz YOKCVNKRYVKRGP-ZETCQYMHSA-N 0 3 209.680 2.068 10 0 BEAEHN C[C@@H](NC1=NC[C@H](C)S1)c1cccnc1 ZINC000035692472 177281450 /nfs/dbraw/zinc/28/14/50/177281450.db2.gz KJSPEXHLZQCLNN-DTWKUNHWSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@H]1CNC[C@@H](c2cccc(Cl)c2)O1 ZINC000032012621 177285230 /nfs/dbraw/zinc/28/52/30/177285230.db2.gz NEOAXIQXEJQMLV-KWQFWETISA-N 0 3 211.692 2.389 10 0 BEAEHN C[C@H]1C[C@@H](NCc2nc[nH]n2)CC(C)(C)C1 ZINC000037919059 177333538 /nfs/dbraw/zinc/33/35/38/177333538.db2.gz AVWSJJOLLRCAOM-VHSXEESVSA-N 0 3 222.336 2.109 10 0 BEAEHN C[C@H]1C[C@H](C)CN(c2ncc(CN)s2)C1 ZINC000054864075 177359171 /nfs/dbraw/zinc/35/91/71/177359171.db2.gz WPOFQDJSAAALOE-IUCAKERBSA-N 0 3 225.361 2.084 10 0 BEAEHN C[C@H]1C[C@H](N(C)C(=O)C2CCCC2)CCN1C ZINC000123694342 177363912 /nfs/dbraw/zinc/36/39/12/177363912.db2.gz GJZOCIPZHDGIPC-WCQYABFASA-N 0 3 238.375 2.118 10 0 BEAEHN Cc1cc(C)cc(Cn2cc(C(C)(C)N)nn2)c1 ZINC000070118725 487639211 /nfs/dbraw/zinc/63/92/11/487639211.db2.gz QPOXRMVIPJYAIW-UHFFFAOYSA-N 0 3 244.342 2.137 10 0 BEAEHN CCOc1ccccc1CN1C[C@H](C)C[C@H](O)C1 ZINC000401571642 226359532 /nfs/dbraw/zinc/35/95/32/226359532.db2.gz FLYRIEMIXZZYBR-OCCSQVGLSA-N 0 3 249.354 2.288 10 0 BEAEHN CC[C@@H](NC(=O)[C@@H](C)NC)C1CCCCC1 ZINC000054076996 487684284 /nfs/dbraw/zinc/68/42/84/487684284.db2.gz VSVPGJYPVKQFDW-ZYHUDNBSSA-N 0 3 226.364 2.069 10 0 BEAEHN C[C@@]1(CN2CCN3CCC[C@@H]3C2)CCCS1 ZINC000087794129 487688517 /nfs/dbraw/zinc/68/85/17/487688517.db2.gz IBSDPYGDUNCBNZ-OLZOCXBDSA-N 0 3 240.416 2.052 10 0 BEAEHN CCCc1ccc([C@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000676234935 487825214 /nfs/dbraw/zinc/82/52/14/487825214.db2.gz UYZRJFRFKOCAIN-SMDDNHRTSA-N 0 3 246.354 2.178 10 0 BEAEHN CC(C)(C)[C@@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC000676391209 487842788 /nfs/dbraw/zinc/84/27/88/487842788.db2.gz SLXFOKKDPWFABJ-VIFPVBQESA-N 0 3 233.302 2.125 10 0 BEAEHN CCn1c(C)nnc1CN[C@@H](C)C1CCCC1 ZINC000184640041 323090902 /nfs/dbraw/zinc/09/09/02/323090902.db2.gz RDIFNSJIQNQWDO-JTQLQIEISA-N 0 3 236.363 2.275 10 0 BEAEHN Cc1nnc(CN[C@H](C(C)C)C2CC2)s1 ZINC000134721584 325373395 /nfs/dbraw/zinc/37/33/95/325373395.db2.gz GTNJOLOUFIEFRF-LLVKDONJSA-N 0 3 225.361 2.371 10 0 BEAEHN COc1c(CN2CCCCCC2)c(C)nn1C ZINC000157379589 326271756 /nfs/dbraw/zinc/27/17/56/326271756.db2.gz KZBOZBHOUVGGKJ-UHFFFAOYSA-N 0 3 237.347 2.113 10 0 BEAEHN Cc1cnn(CCN[C@H]2CCc3ccccc32)c1 ZINC000123950412 488078314 /nfs/dbraw/zinc/07/83/14/488078314.db2.gz DJSGGNSFTVGFSG-HNNXBMFYSA-N 0 3 241.338 2.469 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)[C@H](C)CO1 ZINC000403857805 488140460 /nfs/dbraw/zinc/14/04/60/488140460.db2.gz VGJUOIJGDHQAMF-AAVRWANBSA-N 0 3 241.375 2.037 10 0 BEAEHN CC[C@H]1CCCCCN1C(=O)CNC(C)C ZINC000134360107 488167060 /nfs/dbraw/zinc/16/70/60/488167060.db2.gz YMQWQSQKQYZOIV-LBPRGKRZSA-N 0 3 226.364 2.166 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1ccsc1 ZINC000119403559 490048394 /nfs/dbraw/zinc/04/83/94/490048394.db2.gz LIIWBTGSXTXFGQ-LLVKDONJSA-N 0 3 213.346 2.341 10 0 BEAEHN C[C@@H]1N(C[C@H]2CCC[C@H](O)C2)CCOC1(C)C ZINC000660006577 490131896 /nfs/dbraw/zinc/13/18/96/490131896.db2.gz PQHBMTYDKABBBZ-AVGNSLFASA-N 0 3 241.375 2.037 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2cc(F)ccc2F)C1 ZINC000037163969 490146116 /nfs/dbraw/zinc/14/61/16/490146116.db2.gz QYCFDFKNLCAOQB-RYUDHWBXSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@@H]1CCC[C@@H](N[C@@H]2CCCc3cccnc32)C1 ZINC000217741352 490219559 /nfs/dbraw/zinc/21/95/59/490219559.db2.gz JRLOWOSKDNLSAZ-MGPQQGTHSA-N 0 3 246.354 2.352 10 0 BEAEHN CC[C@@H]1CCCN(Cc2cncnc2)CC1 ZINC000128826057 490244087 /nfs/dbraw/zinc/24/40/87/490244087.db2.gz VCRJRCPKVKHCHO-GFCCVEGCSA-N 0 3 219.332 2.489 10 0 BEAEHN CC(C)[C@H](C)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000128924323 490263729 /nfs/dbraw/zinc/26/37/29/490263729.db2.gz ZGTQTAXVUDQSQL-RNJOBUHISA-N 0 3 240.391 2.408 10 0 BEAEHN CC1(NCc2cncnc2)Cc2ccccc2C1 ZINC000125391611 490430630 /nfs/dbraw/zinc/43/06/30/490430630.db2.gz YEWPHYGTATWNGZ-UHFFFAOYSA-N 0 3 239.322 2.124 10 0 BEAEHN C[C@@H]1CCC[C@@H](C)N(Cc2cncnc2)C1 ZINC000128189173 490575093 /nfs/dbraw/zinc/57/50/93/490575093.db2.gz APGWNHIOGYGCNL-VXGBXAGGSA-N 0 3 219.332 2.487 10 0 BEAEHN CCCN1C[C@H]2CCCCN2C[C@@H]1CC ZINC000086929524 491065227 /nfs/dbraw/zinc/06/52/27/491065227.db2.gz GTNHXGFCZYSWGZ-QWHCGFSZSA-N 0 3 210.365 2.345 10 0 BEAEHN N[C@@H]1c2cc(Cl)cc(Cl)c2CC[C@@H]1O ZINC000039941473 491110649 /nfs/dbraw/zinc/11/06/49/491110649.db2.gz IKXGQSRJGUAIKS-VHSXEESVSA-N 0 3 232.110 2.300 10 0 BEAEHN C[C@@H](NCC[C@@H]1CCCO1)c1cncs1 ZINC000132339198 491135226 /nfs/dbraw/zinc/13/52/26/491135226.db2.gz RAEGWEUXRQSAGP-ZJUUUORDSA-N 0 3 226.345 2.363 10 0 BEAEHN CCCC[C@@H](O)c1nc(C)c(CN)s1 ZINC000757127261 582502236 /nfs/dbraw/zinc/50/22/36/582502236.db2.gz IHBDDFFRRQUQHY-MRVPVSSYSA-N 0 3 214.334 2.134 10 0 BEAEHN CNCc1sc([C@@H](O)C2CCC2)nc1C ZINC000757133925 582510717 /nfs/dbraw/zinc/51/07/17/582510717.db2.gz XSJJWWJSBDVRSB-JTQLQIEISA-N 0 3 226.345 2.004 10 0 BEAEHN CC(C)[C@@H]1CCC[C@@]2(C1)NCC1(COC1)CO2 ZINC000757138572 582517632 /nfs/dbraw/zinc/51/76/32/582517632.db2.gz CJONKLPZFGXVRM-TZMCWYRMSA-N 0 3 239.359 2.165 10 0 BEAEHN CCC1(CC)CCN[C@]2(CCSC2)O1 ZINC000757145838 582528614 /nfs/dbraw/zinc/52/86/14/582528614.db2.gz PMCRQCQQCOFNTI-LLVKDONJSA-N 0 3 215.362 2.388 10 0 BEAEHN CC[C@H]1N[C@H](Cc2ccccc2)CCO1 ZINC000757150202 582534372 /nfs/dbraw/zinc/53/43/72/582534372.db2.gz PFTNOMORYAEGSR-STQMWFEESA-N 0 3 205.301 2.344 10 0 BEAEHN CC(C)[C@H]1O[C@]2(CCCOC2)NCC1(C)C ZINC000757152620 582537265 /nfs/dbraw/zinc/53/72/65/582537265.db2.gz SYCLMLJFRRCWFL-YPMHNXCESA-N 0 3 227.348 2.164 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2cc(F)cc(F)c2)C1 ZINC000229805802 582673577 /nfs/dbraw/zinc/67/35/77/582673577.db2.gz RDUUOJQXUZQLPW-OLZOCXBDSA-N 0 3 241.281 2.358 10 0 BEAEHN CNCc1c(C)nn(C(C)(C)C)c1Cl ZINC000057354252 522100980 /nfs/dbraw/zinc/10/09/80/522100980.db2.gz BUMHOLLHETUBHT-UHFFFAOYSA-N 0 3 215.728 2.319 10 0 BEAEHN CNCc1cccnc1N1CCC(C)CC1 ZINC000051399007 536470679 /nfs/dbraw/zinc/47/06/79/536470679.db2.gz ZQGDRDVKSUCMLX-UHFFFAOYSA-N 0 3 219.332 2.037 10 0 BEAEHN CCOc1ccc(CN2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401600014 528435313 /nfs/dbraw/zinc/43/53/13/528435313.db2.gz ZCQUQDYADNZWHL-JSGCOSHPSA-N 0 3 249.354 2.288 10 0 BEAEHN CC1(C)[C@H](NCc2cncs2)[C@@H]2CCO[C@H]21 ZINC000227977539 535074841 /nfs/dbraw/zinc/07/48/41/535074841.db2.gz SUAROUUWDFNPMV-HBNTYKKESA-N 0 3 238.356 2.046 10 0 BEAEHN CC(C)N1CCN(c2ccc([C@H](C)O)cc2)CC1 ZINC000036190415 535205134 /nfs/dbraw/zinc/20/51/34/535205134.db2.gz IVLMJAKXJGCKKY-ZDUSSCGKSA-N 0 3 248.370 2.270 10 0 BEAEHN CCOC1CCN(c2ccccc2CN)CC1 ZINC000020267334 535400957 /nfs/dbraw/zinc/40/09/57/535400957.db2.gz ZSSLKZMCBNDBPV-UHFFFAOYSA-N 0 3 234.343 2.151 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC000176994800 535545564 /nfs/dbraw/zinc/54/55/64/535545564.db2.gz IXDJJPNZRQAHLU-GFCCVEGCSA-N 0 3 240.391 2.365 10 0 BEAEHN CCN1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000336189973 535711085 /nfs/dbraw/zinc/71/10/85/535711085.db2.gz ZQXGCUUSGLTMEC-LBPRGKRZSA-N 0 3 246.345 2.449 10 0 BEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CC1CC1 ZINC000251585192 536164713 /nfs/dbraw/zinc/16/47/13/536164713.db2.gz CMPTWQXDHNFCLT-KBPBESRZSA-N 0 3 222.376 2.345 10 0 BEAEHN C[C@@H]1CC[C@]2(CO1)NCCc1sccc12 ZINC000401665797 537886485 /nfs/dbraw/zinc/88/64/85/537886485.db2.gz OCIRUKWMWJAWCS-BXKDBHETSA-N 0 3 223.341 2.288 10 0 BEAEHN CCC(C(=O)C1CC1)C(=O)C(F)(F)F ZINC000308530489 566298500 /nfs/dbraw/zinc/29/85/00/566298500.db2.gz JZUVDXPHSCFLPJ-LURJTMIESA-N 0 3 208.179 2.123 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1ccoc1 ZINC000247998920 566407594 /nfs/dbraw/zinc/40/75/94/566407594.db2.gz KEOVCKSRYQVWOG-GVXVVHGQSA-N 0 3 223.316 2.481 10 0 BEAEHN Cc1csc([C@H](C)Nc2cc(C)nc(N)n2)n1 ZINC000112466015 588799250 /nfs/dbraw/zinc/79/92/50/588799250.db2.gz DASJXUVQIMYYSZ-QMMMGPOBSA-N 0 3 249.343 2.305 10 0 BEAEHN CC(C)[C@@H]1O[C@@]2(CCSC2)NCC1(C)C ZINC000757143166 582523702 /nfs/dbraw/zinc/52/37/02/582523702.db2.gz MEMDGRCPBUHCCL-CMPLNLGQSA-N 0 3 229.389 2.490 10 0 BEAEHN C1C[C@]2(CS1)NCC1(CCCCC1)CO2 ZINC000757143729 582524366 /nfs/dbraw/zinc/52/43/66/582524366.db2.gz FGAYTPDXXACNRW-LBPRGKRZSA-N 0 3 227.373 2.390 10 0 BEAEHN C[C@H]1C[C@H](C)OC2(CC(CF)(CF)C2)N1 ZINC000757144685 582525445 /nfs/dbraw/zinc/52/54/45/582525445.db2.gz HBESDEZJIREZHZ-IUCAKERBSA-N 0 3 219.275 2.189 10 0 BEAEHN C1CCC2(C1)CN[C@@]1(CCCSC1)OC2 ZINC000757144684 582525581 /nfs/dbraw/zinc/52/55/81/582525581.db2.gz OZZZSOHQSCQTJF-LBPRGKRZSA-N 0 3 227.373 2.390 10 0 BEAEHN CC(C)[C@H]1O[C@]2(CCSC2)NCC12CC2 ZINC000757145143 582527804 /nfs/dbraw/zinc/52/78/04/582527804.db2.gz OGJNRJRFXRVFDV-PWSUYJOCSA-N 0 3 227.373 2.244 10 0 BEAEHN CCC[C@H]1CCN[C@@]2(CCCSC2)O1 ZINC000757147672 582531494 /nfs/dbraw/zinc/53/14/94/582531494.db2.gz MNMKKRLHHCODJY-QWRGUYRKSA-N 0 3 215.362 2.388 10 0 BEAEHN c1ccc(C[C@@H]2CCO[C@@]3(CCCOC3)N2)cc1 ZINC000757148551 582532730 /nfs/dbraw/zinc/53/27/30/582532730.db2.gz NNRZFUYPKRJPFL-LSDHHAIUSA-N 0 3 247.338 2.114 10 0 BEAEHN CC(C)(C)[C@@H]1CN[C@@]2(COC(C)(C)C2)OC1 ZINC000757148886 582532745 /nfs/dbraw/zinc/53/27/45/582532745.db2.gz OBKPNQBZWLFAFL-ZWNOBZJWSA-N 0 3 227.348 2.164 10 0 BEAEHN CN(C)C[C@@H](O)CSCc1ccc(Cl)o1 ZINC000757165032 582546749 /nfs/dbraw/zinc/54/67/49/582546749.db2.gz KKIUBHUMFUYSMH-MRVPVSSYSA-N 0 3 249.763 2.089 10 0 BEAEHN CCCC[C@@H](C)c1n[nH]c2c1CNCC2 ZINC000757169077 582549560 /nfs/dbraw/zinc/54/95/60/582549560.db2.gz WNQONFUTGYWSQZ-SECBINFHSA-N 0 3 207.321 2.349 10 0 BEAEHN CCCC[C@@H](C)c1[nH]nc2c1CNCC2 ZINC000757169077 582549562 /nfs/dbraw/zinc/54/95/62/582549562.db2.gz WNQONFUTGYWSQZ-SECBINFHSA-N 0 3 207.321 2.349 10 0 BEAEHN Cc1ccc([C@H]2CNc3nccn3C2)cc1 ZINC000235983254 582634848 /nfs/dbraw/zinc/63/48/48/582634848.db2.gz ROHIRXOICOKSIQ-LBPRGKRZSA-N 0 3 213.284 2.401 10 0 BEAEHN CC(=O)[C@H]1CCCN(CCOCCC(C)C)C1 ZINC000111690371 582818220 /nfs/dbraw/zinc/81/82/20/582818220.db2.gz AQKKUJGYZDRPHD-AWEZNQCLSA-N 0 3 241.375 2.350 10 0 BEAEHN c1cc2c(s1)CCN[C@H]2[C@H]1CCCOC1 ZINC000397164751 583098492 /nfs/dbraw/zinc/09/84/92/583098492.db2.gz ZKRPAIFBXNTOKX-CABZTGNLSA-N 0 3 223.341 2.362 10 0 BEAEHN NCc1cccc(-c2ccc(C=O)cn2)c1 ZINC000757567535 586335668 /nfs/dbraw/zinc/33/56/68/586335668.db2.gz VOYPFARWEWJKRZ-UHFFFAOYSA-N 0 3 212.252 2.020 10 0 BEAEHN Clc1ccc(CSC[C@@H]2CNCCO2)o1 ZINC000757170904 586432939 /nfs/dbraw/zinc/43/29/39/586432939.db2.gz RVDBIQRNFZSEBU-VIFPVBQESA-N 0 3 247.747 2.155 10 0 BEAEHN C[C@@H]1CC[C@@H](N)[C@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183297 586433398 /nfs/dbraw/zinc/43/33/98/586433398.db2.gz NMQANSDCKSXIPH-LNLATYFQSA-N 0 3 231.311 2.184 10 0 BEAEHN CCOC(=O)C=C1CCN(CC(C)C)CC1 ZINC000757193304 586436542 /nfs/dbraw/zinc/43/65/42/586436542.db2.gz SENDGQMDOQRHCJ-UHFFFAOYSA-N 0 3 225.332 2.228 10 0 BEAEHN Cc1cccc(C)c1CNCc1cn[nH]c1 ZINC000122060001 589551912 /nfs/dbraw/zinc/55/19/12/589551912.db2.gz NPGPFSAVMMDQHR-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN Cc1cc(CNCC[C@H](C)[S@](C)=O)c(C)o1 ZINC000122129875 589556858 /nfs/dbraw/zinc/55/68/58/589556858.db2.gz ZFAWIFNSNBSKJW-MGPLVRAMSA-N 0 3 243.372 2.143 10 0 BEAEHN Cc1cc(N[C@@H]2CCC(C)(C)C2)nc(N)n1 ZINC000122371431 589585019 /nfs/dbraw/zinc/58/50/19/589585019.db2.gz STKUJFSWZNXVHM-SECBINFHSA-N 0 3 220.320 2.358 10 0 BEAEHN O[C@H](CN[C@H]1CSc2ccccc21)C1CC1 ZINC000123558323 589752351 /nfs/dbraw/zinc/75/23/51/589752351.db2.gz ZISYMJHAVGVRGG-NWDGAFQWSA-N 0 3 235.352 2.194 10 0 BEAEHN CC1(C)C[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000124354242 589977839 /nfs/dbraw/zinc/97/78/39/589977839.db2.gz XFUIZZVGEWEEGY-NSHDSACASA-N 0 3 218.300 2.130 10 0 BEAEHN C[C@@H](NCCc1ccccc1)C(=O)NC(C)(C)C ZINC000020312977 590098136 /nfs/dbraw/zinc/09/81/36/590098136.db2.gz IIURAUUVPURUEL-GFCCVEGCSA-N 0 3 248.370 2.122 10 0 BEAEHN CC[C@H](C)NC(=O)[C@H](C)NCCc1ccccc1 ZINC000020364215 590104560 /nfs/dbraw/zinc/10/45/60/590104560.db2.gz MMCKBFXELFGFLY-STQMWFEESA-N 0 3 248.370 2.122 10 0 BEAEHN CC[C@H](NCc1ccoc1)[C@@H]1CCCO1 ZINC000126311863 590272917 /nfs/dbraw/zinc/27/29/17/590272917.db2.gz VQYBROFGLVJERR-RYUDHWBXSA-N 0 3 209.289 2.327 10 0 BEAEHN CCCC[C@H](CC)CCNCCS(C)(=O)=O ZINC000126971574 590525934 /nfs/dbraw/zinc/52/59/34/590525934.db2.gz SNYPMYRBVXPPMG-LBPRGKRZSA-N 0 3 249.420 2.227 10 0 BEAEHN CCc1cc(CN[C@H]2CCCSC2)on1 ZINC000128291322 590964693 /nfs/dbraw/zinc/96/46/93/590964693.db2.gz HYFCOIAURDQDJU-JTQLQIEISA-N 0 3 226.345 2.222 10 0 BEAEHN CC(C)n1ncnc1CN[C@H]1CC[C@@H](C)C1 ZINC000128888305 591175632 /nfs/dbraw/zinc/17/56/32/591175632.db2.gz KHPCGTHWKFFNSO-MNOVXSKESA-N 0 3 222.336 2.137 10 0 BEAEHN CC(C)n1ncnc1CN[C@@H]1CC[C@@H](C)C1 ZINC000128888654 591176447 /nfs/dbraw/zinc/17/64/47/591176447.db2.gz KHPCGTHWKFFNSO-GHMZBOCLSA-N 0 3 222.336 2.137 10 0 BEAEHN CC(C)(C)OCCNC[C@@H](O)c1ccccc1 ZINC000132902535 591746863 /nfs/dbraw/zinc/74/68/63/591746863.db2.gz ZOMQESMQDSEOBO-CYBMUJFWSA-N 0 3 237.343 2.125 10 0 BEAEHN Cc1ccc([C@H](C)NCC[S@@](C)=O)cc1C ZINC000133808860 591860103 /nfs/dbraw/zinc/86/01/03/591860103.db2.gz MXQOPGZIIRXDGE-LRDDRELGSA-N 0 3 239.384 2.333 10 0 BEAEHN Cc1ccc([C@H](C)NCC[S@@](C)=O)cc1F ZINC000133802872 591861200 /nfs/dbraw/zinc/86/12/00/591861200.db2.gz DIKLNNGRBZWHOA-QFYYESIMSA-N 0 3 243.347 2.163 10 0 BEAEHN C[C@H](NCC[S@@](C)=O)c1cccc(Cl)c1 ZINC000133820913 591862258 /nfs/dbraw/zinc/86/22/58/591862258.db2.gz HUVOPEBUIBDSSJ-VFZGTOFNSA-N 0 3 245.775 2.369 10 0 BEAEHN Cc1ccc([C@H](C)NCC[S@@](C)=O)c(C)c1 ZINC000133838400 591862665 /nfs/dbraw/zinc/86/26/65/591862665.db2.gz GLWDOPSPEUQHLO-LRDDRELGSA-N 0 3 239.384 2.333 10 0 BEAEHN COc1ccc([C@@H](O)CNCc2ccoc2)cc1 ZINC000134283854 591911251 /nfs/dbraw/zinc/91/12/51/591911251.db2.gz XPEMZLTZKLCUQT-AWEZNQCLSA-N 0 3 247.294 2.111 10 0 BEAEHN O[C@H](CNCc1ccoc1)c1cccc(F)c1 ZINC000134286186 591911344 /nfs/dbraw/zinc/91/13/44/591911344.db2.gz GLNMHQZYFYWDDJ-CYBMUJFWSA-N 0 3 235.258 2.242 10 0 BEAEHN O[C@@H](CNCc1ccoc1)c1cccc(F)c1 ZINC000134286207 591912079 /nfs/dbraw/zinc/91/20/79/591912079.db2.gz GLNMHQZYFYWDDJ-ZDUSSCGKSA-N 0 3 235.258 2.242 10 0 BEAEHN CCOCCNCc1cncc2ccccc21 ZINC000135373994 592009797 /nfs/dbraw/zinc/00/97/97/592009797.db2.gz UBJIDSVGNPQMSS-UHFFFAOYSA-N 0 3 230.311 2.361 10 0 BEAEHN COC(OC)C(C)(C)NCc1ccccc1 ZINC000071372384 592261719 /nfs/dbraw/zinc/26/17/19/592261719.db2.gz UYOFPTYVADDRRW-UHFFFAOYSA-N 0 3 223.316 2.174 10 0 BEAEHN Cc1nn(-c2cc(C)cc(C)c2)cc1CN ZINC000221037333 592392288 /nfs/dbraw/zinc/39/22/88/592392288.db2.gz JBKVGPQQVDZROL-UHFFFAOYSA-N 0 3 215.300 2.256 10 0 BEAEHN CC(C)(C)CCc1noc([C@H]2CCCN2)n1 ZINC000300876584 592523715 /nfs/dbraw/zinc/52/37/15/592523715.db2.gz NXEDQABXHPONBJ-SECBINFHSA-N 0 3 223.320 2.473 10 0 BEAEHN CCC[C@@H](N)C(=O)NCC1CCC2(CC2)CC1 ZINC000829165482 592707183 /nfs/dbraw/zinc/70/71/83/592707183.db2.gz YTMFURXJTMKSTC-GFCCVEGCSA-N 0 3 238.375 2.200 10 0 BEAEHN CC1(C)COC[C@H]1N[C@@H]1COc2ccccc21 ZINC000313020098 634439209 /nfs/dbraw/zinc/43/92/09/634439209.db2.gz ZZUSAORJZNNUNC-DGCLKSJQSA-N 0 3 233.311 2.135 10 0 BEAEHN CN(CCC(=O)C(C)(C)C)C[C@@H]1CCCCO1 ZINC000054026552 635328655 /nfs/dbraw/zinc/32/86/55/635328655.db2.gz HFZCHPZBBYANPE-LBPRGKRZSA-N 0 3 241.375 2.493 10 0 BEAEHN CO[C@@H]1CCC[C@@H]1NCc1ccc(C)o1 ZINC000049948891 631918300 /nfs/dbraw/zinc/91/83/00/631918300.db2.gz NRDRJLYQTGZSGR-NWDGAFQWSA-N 0 3 209.289 2.245 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000310686613 632886895 /nfs/dbraw/zinc/88/68/95/632886895.db2.gz MYXIXSWDMFKVMF-SMDDNHRTSA-N 0 3 246.354 2.300 10 0 BEAEHN C[C@@H](O)[C@@H](C)NCc1cnc(C2CCC2)s1 ZINC000309964709 633991561 /nfs/dbraw/zinc/99/15/61/633991561.db2.gz MXLWIBUCXYHHFV-RKDXNWHRSA-N 0 3 240.372 2.270 10 0 BEAEHN C/C=C\C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000309864355 634029959 /nfs/dbraw/zinc/02/99/59/634029959.db2.gz DZLPPCVERVSIIB-UKOWJOKBSA-N 0 3 246.354 2.199 10 0 BEAEHN C/C=C/C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000309864353 634030955 /nfs/dbraw/zinc/03/09/55/634030955.db2.gz DZLPPCVERVSIIB-GBVBUYCNSA-N 0 3 246.354 2.199 10 0 BEAEHN COc1ccc(CN[C@@H](C)[C@@H](C)O)c(Cl)c1 ZINC000336700827 635220334 /nfs/dbraw/zinc/22/03/34/635220334.db2.gz NRPJVUWQSYWFNS-DTWKUNHWSA-N 0 3 243.734 2.208 10 0 BEAEHN CN(CCC(=O)C(C)(C)C)C[C@H]1CCCCO1 ZINC000054026554 635326808 /nfs/dbraw/zinc/32/68/08/635326808.db2.gz HFZCHPZBBYANPE-GFCCVEGCSA-N 0 3 241.375 2.493 10 0 BEAEHN CC[C@@H](NC)c1nc(-c2cccs2)nn1C ZINC000054699884 640321957 /nfs/dbraw/zinc/32/19/57/640321957.db2.gz ZGJAERDGYKESCJ-MRVPVSSYSA-N 0 3 236.344 2.214 10 0 BEAEHN CC(C)(CO)NCc1cc(F)ccc1Cl ZINC000165916234 640600196 /nfs/dbraw/zinc/60/01/96/640600196.db2.gz WYZFATHUWNLYMR-UHFFFAOYSA-N 0 3 231.698 2.340 10 0 BEAEHN Cc1ccsc1CNc1cc(C)nc(N)n1 ZINC000045733679 640654414 /nfs/dbraw/zinc/65/44/14/640654414.db2.gz IRJDMYGJCLALRS-UHFFFAOYSA-N 0 3 234.328 2.349 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nc(C(C)(C)C)nn1C ZINC000054698698 640711089 /nfs/dbraw/zinc/71/10/89/640711089.db2.gz ABDNFRBMZPXXPK-IUCAKERBSA-N 0 3 224.352 2.159 10 0 BEAEHN O[C@@H]1CCCC[C@H]1N[C@@H]1COc2ccccc21 ZINC000227087052 640815407 /nfs/dbraw/zinc/81/54/07/640815407.db2.gz PNDMOIMOFAXKKA-JHJVBQTASA-N 0 3 233.311 2.013 10 0 BEAEHN c1cc(CNC[C@H]2Cc3ccccc3O2)co1 ZINC000062103522 641021704 /nfs/dbraw/zinc/02/17/04/641021704.db2.gz PSUCYSUGWCRPBK-CYBMUJFWSA-N 0 3 229.279 2.373 10 0 BEAEHN CC[C@@H](Nc1cc(C)nc(N)n1)C(C)C ZINC000088425566 641182354 /nfs/dbraw/zinc/18/23/54/641182354.db2.gz ZHKHTNFPTRBPHH-SECBINFHSA-N 0 3 208.309 2.214 10 0 BEAEHN Cc1cc(N[C@H]2CCc3ccccc32)nc(N)n1 ZINC000043533784 641565593 /nfs/dbraw/zinc/56/55/93/641565593.db2.gz DQKILULKWBRLEF-LBPRGKRZSA-N 0 3 240.310 2.467 10 0 BEAEHN Cc1cc(NCCc2ccc(F)cc2)nc(N)n1 ZINC000043532249 641565691 /nfs/dbraw/zinc/56/56/91/641565691.db2.gz AKXPVSZSBRJHBU-UHFFFAOYSA-N 0 3 246.289 2.161 10 0 BEAEHN CC[C@H](C)c1noc([C@@]2(C)CCCN2)n1 ZINC000070617941 643052996 /nfs/dbraw/zinc/05/29/96/643052996.db2.gz QCBDIQKPEJLUCQ-GZMMTYOYSA-N 0 3 209.293 2.182 10 0 BEAEHN C1CCC2(CC1)CN[C@@]1(CCCOC1)OC2 ZINC000757151971 643341246 /nfs/dbraw/zinc/34/12/46/643341246.db2.gz UKUHEGYUNXKJTL-ZDUSSCGKSA-N 0 3 225.332 2.063 10 0 BEAEHN CO[C@H]1CCC[C@@H]1NCc1ccc(C)o1 ZINC000049948889 643564926 /nfs/dbraw/zinc/56/49/26/643564926.db2.gz NRDRJLYQTGZSGR-RYUDHWBXSA-N 0 3 209.289 2.245 10 0 BEAEHN Cc1cc(NCCc2ccsc2)nc(N)n1 ZINC000046479098 643573646 /nfs/dbraw/zinc/57/36/46/643573646.db2.gz YGMBQFYTRSIJSM-UHFFFAOYSA-N 0 3 234.328 2.083 10 0 BEAEHN Cc1ccc(-c2noc([C@H]3CCCN3)n2)o1 ZINC000083010405 644398882 /nfs/dbraw/zinc/39/88/82/644398882.db2.gz FEASKYLKMJCEPZ-MRVPVSSYSA-N 0 3 219.244 2.063 10 0 BEAEHN COc1cc(CNC2CC(SC)C2)sn1 ZINC000706866577 712156950 /nfs/dbraw/zinc/15/69/50/712156950.db2.gz NVJFQKVGQAERIG-UHFFFAOYSA-N 0 3 244.385 2.135 10 0 BEAEHN C[C@@H](NC1CCC(C)CC1)c1cn(C)nn1 ZINC000715901564 712541232 /nfs/dbraw/zinc/54/12/32/712541232.db2.gz KPBUMNDPVHGDLH-HSOILSAZSA-N 0 3 222.336 2.044 10 0 BEAEHN Cc1noc(C)c1[C@H](C)N[C@H]1CCCN(C)C1 ZINC000134290209 711498454 /nfs/dbraw/zinc/49/84/54/711498454.db2.gz IYTZMLJZRSCLNN-CABZTGNLSA-N 0 3 237.347 2.036 10 0 BEAEHN Cc1cc(C)nc(CN2C[C@H](O)CC[C@@H]2C)c1 ZINC000723842906 711538707 /nfs/dbraw/zinc/53/87/07/711538707.db2.gz UNIWCCWBCOTCHW-GXTWGEPZSA-N 0 3 234.343 2.044 10 0 BEAEHN Cc1cnc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(C)c1 ZINC000724094890 711560508 /nfs/dbraw/zinc/56/05/08/711560508.db2.gz CQVBSEOWAMUISB-DZGCQCFKSA-N 0 3 246.354 2.356 10 0 BEAEHN CC[C@H]1COC[C@@H]1NCc1ncc(C)cc1C ZINC000724097952 711560519 /nfs/dbraw/zinc/56/05/19/711560519.db2.gz NMJMLJDVRWQTNY-JSGCOSHPSA-N 0 3 234.343 2.213 10 0 BEAEHN Cc1cnc(CN[C@@H]2CO[C@H](C3CC3)C2)c(C)c1 ZINC000724094893 711560579 /nfs/dbraw/zinc/56/05/79/711560579.db2.gz CQVBSEOWAMUISB-ZFWWWQNUSA-N 0 3 246.354 2.356 10 0 BEAEHN O[C@H](CNCC1(F)CC1)c1cccc(Cl)c1 ZINC000309478380 711684544 /nfs/dbraw/zinc/68/45/44/711684544.db2.gz CRKYLWRXYOXFLU-LLVKDONJSA-N 0 3 243.709 2.465 10 0 BEAEHN CC(=O)CCN1CCN(CCC(C)(C)C)CC1 ZINC000125323156 711722146 /nfs/dbraw/zinc/72/21/46/711722146.db2.gz ANHVLHNAZROGRW-UHFFFAOYSA-N 0 3 240.391 2.019 10 0 BEAEHN CN(CCc1cccs1)c1ccncc1CO ZINC000126537461 711768608 /nfs/dbraw/zinc/76/86/08/711768608.db2.gz PFCMOHJQUXKYDC-UHFFFAOYSA-N 0 3 248.351 2.314 10 0 BEAEHN CSC1CC(NCc2ccccn2)C1 ZINC000706878175 712157761 /nfs/dbraw/zinc/15/77/61/712157761.db2.gz SLVMPQJBQXSHJG-UHFFFAOYSA-N 0 3 208.330 2.065 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cn(C)cn1 ZINC000709988421 712237832 /nfs/dbraw/zinc/23/78/32/712237832.db2.gz YXRCNGDRVYFPQC-GMTAPVOTSA-N 0 3 207.321 2.259 10 0 BEAEHN COC1(OC)CC[C@@H]1N[C@H]1CCc2ccccc21 ZINC000710991655 712272749 /nfs/dbraw/zinc/27/27/49/712272749.db2.gz ZKHOFCYCXFGZPM-KBPBESRZSA-N 0 3 247.338 2.415 10 0 BEAEHN Cc1ccc([C@H](C)NCCOC2CC2)o1 ZINC000711734417 712321198 /nfs/dbraw/zinc/32/11/98/712321198.db2.gz WCUSHZLXFKIDBY-JTQLQIEISA-N 0 3 209.289 2.418 10 0 BEAEHN C[C@H](N[C@@H]1COc2ccccc21)[C@@H]1CCCO1 ZINC000379765560 712398030 /nfs/dbraw/zinc/39/80/30/712398030.db2.gz IHNWKWIMOKRYGR-UHTWSYAYSA-N 0 3 233.311 2.277 10 0 BEAEHN CCC[C@H](N)C(=O)NC1CCCCCCC1 ZINC000036872758 712506452 /nfs/dbraw/zinc/50/64/52/712506452.db2.gz WPAFCKJRFGMKFO-LBPRGKRZSA-N 0 3 226.364 2.343 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000715816257 712533421 /nfs/dbraw/zinc/53/34/21/712533421.db2.gz XPXOABUGSYENSO-CMPLNLGQSA-N 0 3 240.734 2.128 10 0 BEAEHN NCc1cnc(-c2ccc3c(c2)OCC3)s1 ZINC000718821747 712783970 /nfs/dbraw/zinc/78/39/70/712783970.db2.gz CCJYDZPEDNEYEF-UHFFFAOYSA-N 0 3 232.308 2.204 10 0 BEAEHN CC(C)c1nccnc1N[C@H]1CCN(C)[C@@H]1C ZINC000719780525 712824495 /nfs/dbraw/zinc/82/44/95/712824495.db2.gz GVWWHDQUAIYMII-MNOVXSKESA-N 0 3 234.347 2.105 10 0 BEAEHN CC(C)c1nccnc1N[C@@H]1CCN(C)[C@@H]1C ZINC000719780523 712824574 /nfs/dbraw/zinc/82/45/74/712824574.db2.gz GVWWHDQUAIYMII-GHMZBOCLSA-N 0 3 234.347 2.105 10 0 BEAEHN CC1=C[C@H](C)C[C@@H](CN[C@H](C)c2cn(C)nn2)C1 ZINC000720603415 712858002 /nfs/dbraw/zinc/85/80/02/712858002.db2.gz QFTNRKITQYKWRX-CYZMBNFOSA-N 0 3 248.374 2.458 10 0 BEAEHN CNCC(=O)C[C@H](C)COCc1ccccc1 ZINC000685962476 538909327 /nfs/dbraw/zinc/90/93/27/538909327.db2.gz JQBCVQSABKSXLD-LBPRGKRZSA-N 0 3 235.327 2.018 10 0 BEAEHN OCC[C@H]1CCN(Cc2ccccc2F)C1 ZINC000161608716 349484379 /nfs/dbraw/zinc/48/43/79/349484379.db2.gz KJLXIKYSJPOJOL-LLVKDONJSA-N 0 3 223.291 2.030 10 0 BEAEHN COCc1ccc(CN[C@@H](C)[C@@H]2CCCO2)o1 ZINC000125427778 398151755 /nfs/dbraw/zinc/15/17/55/398151755.db2.gz FBJBZWBMGYOEAL-GWCFXTLKSA-N 0 3 239.315 2.083 10 0 BEAEHN Cc1cc(CNC(C)C)nc(C(C)C)n1 ZINC000054831632 178016514 /nfs/dbraw/zinc/01/65/14/178016514.db2.gz WRCRAVVBTXVMTQ-UHFFFAOYSA-N 0 3 207.321 2.406 10 0 BEAEHN Cc1cc(CN[C@@H]2CCO[C@@H]2C)cs1 ZINC000285817395 178035720 /nfs/dbraw/zinc/03/57/20/178035720.db2.gz HTYKYMDNYLVUTJ-MWLCHTKSSA-N 0 3 211.330 2.324 10 0 BEAEHN Cc1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc(C)c1O ZINC000132406733 178035858 /nfs/dbraw/zinc/03/58/58/178035858.db2.gz UFDWTDCBQPFNEQ-MCIONIFRSA-N 0 3 247.338 2.419 10 0 BEAEHN Cc1cc(Cl)c2ncc([C@H](C)N)n2c1 ZINC000082694152 178061875 /nfs/dbraw/zinc/06/18/75/178061875.db2.gz QZNFIMBARJDBNR-ZETCQYMHSA-N 0 3 209.680 2.316 10 0 BEAEHN CC(C)N1CCCCC[C@H]1c1c[nH]nc1N ZINC000616622082 398206799 /nfs/dbraw/zinc/20/67/99/398206799.db2.gz SXOYKZDTAFWFQC-NSHDSACASA-N 0 3 222.336 2.148 10 0 BEAEHN CO[C@@H](C(C)C)[C@H]1NC(C)(C)CS1 ZINC000306788999 398200484 /nfs/dbraw/zinc/20/04/84/398200484.db2.gz SQTYLPSVRYCMJE-IUCAKERBSA-N 0 3 203.351 2.099 10 0 BEAEHN F[C@H](c1ccsn1)[C@@H]1CCCCN1 ZINC000306605459 398221520 /nfs/dbraw/zinc/22/15/20/398221520.db2.gz PVGGNFIWQSXEKD-CBAPKCEASA-N 0 3 200.282 2.296 10 0 BEAEHN Cc1cc(NN)nc(-c2cc(C)c(O)c(C)c2)n1 ZINC000051168424 178177614 /nfs/dbraw/zinc/17/76/14/178177614.db2.gz KAXCEONPQQYRRA-UHFFFAOYSA-N 0 3 244.298 2.060 10 0 BEAEHN Cc1cc(N[C@H]2CCCN(C)C2)ccc1N ZINC000040715771 178188681 /nfs/dbraw/zinc/18/86/81/178188681.db2.gz WXTJGSNBCTXQJG-LBPRGKRZSA-N 0 3 219.332 2.083 10 0 BEAEHN Cc1cc(N[C@@H]2CN3CCC2CC3)ccc1N ZINC000035277779 178183093 /nfs/dbraw/zinc/18/30/93/178183093.db2.gz OUWUDTFFDHOJFD-CQSZACIVSA-N 0 3 231.343 2.083 10 0 BEAEHN CC(C)c1cccc(CN[C@H](CO)C(C)C)n1 ZINC000097094652 398224139 /nfs/dbraw/zinc/22/41/39/398224139.db2.gz KHRSJIHXZHSARF-CQSZACIVSA-N 0 3 236.359 2.312 10 0 BEAEHN Cc1ncsc1CNC1=NC[C@@H](C)S1 ZINC000070837391 361781270 /nfs/dbraw/zinc/78/12/70/361781270.db2.gz CFGLWWGHARFGKH-ZCFIWIBFSA-N 0 3 227.358 2.032 10 0 BEAEHN Cc1cc([C@H]2CNC[C@H](C)O2)ccc1F ZINC000071511629 178267934 /nfs/dbraw/zinc/26/79/34/178267934.db2.gz BCCVFHCMWPWVCT-JOYOIKCWSA-N 0 3 209.264 2.184 10 0 BEAEHN Cc1cc([C@]2(O)CCN(C3CC3)C2)ccc1F ZINC000061988351 178270012 /nfs/dbraw/zinc/27/00/12/178270012.db2.gz JNVFCRQZQCKZCC-AWEZNQCLSA-N 0 3 235.302 2.190 10 0 BEAEHN Cc1cc2ncc([C@H](C)N[C@H]3C[C@@H]3C)c(C)n2n1 ZINC000052272216 178303006 /nfs/dbraw/zinc/30/30/06/178303006.db2.gz ADFDGYDYQJDGJJ-FWDPORAESA-N 0 3 244.342 2.405 10 0 BEAEHN Cc1ccc(-c2c[nH]c([C@@H](C)N)n2)cc1 ZINC000036872341 178317583 /nfs/dbraw/zinc/31/75/83/178317583.db2.gz BAJSNTLCTIFMQR-SECBINFHSA-N 0 3 201.273 2.405 10 0 BEAEHN CCC(CC)N(C)C(=O)[C@H]1CCC[C@H](C)N1 ZINC000036789504 168367177 /nfs/dbraw/zinc/36/71/77/168367177.db2.gz DXCPABMNKVSHIZ-CMPLNLGQSA-N 0 3 226.364 2.164 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1ccoc1 ZINC000168003057 538944255 /nfs/dbraw/zinc/94/42/55/538944255.db2.gz KEOVCKSRYQVWOG-LOWVWBTDSA-N 0 3 223.316 2.481 10 0 BEAEHN CN(Cc1ccco1)C[C@@H]1CCC[C@@H](O)C1 ZINC000381653112 398268522 /nfs/dbraw/zinc/26/85/22/398268522.db2.gz SFCBXZMEKRXBPC-VXGBXAGGSA-N 0 3 223.316 2.263 10 0 BEAEHN C[C@H]1NCCO[C@@H]1c1cccc(Cl)c1 ZINC000037405042 538962956 /nfs/dbraw/zinc/96/29/56/538962956.db2.gz BOFUZZAQNVYZFF-KCJUWKMLSA-N 0 3 211.692 2.389 10 0 BEAEHN c1cc([C@@H]2CNC[C@@H](C3CC3)O2)cs1 ZINC000070890776 361865715 /nfs/dbraw/zinc/86/57/15/361865715.db2.gz SGJXJFZFHJVLKO-QWRGUYRKSA-N 0 3 209.314 2.188 10 0 BEAEHN CCOC(=O)C[C@H](N)c1ccc(C)c(C)c1 ZINC000003678318 361869932 /nfs/dbraw/zinc/86/99/32/361869932.db2.gz OVMKFFQECJQOSD-LBPRGKRZSA-N 0 3 221.300 2.256 10 0 BEAEHN C[C@@H](N)c1cnc(N2CCCCC2)s1 ZINC000054864392 398283943 /nfs/dbraw/zinc/28/39/43/398283943.db2.gz ZCFNOPGILYGZBA-MRVPVSSYSA-N 0 3 211.334 2.153 10 0 BEAEHN CC(C)C(=O)O[C@@H]1CCCN2CCCC[C@H]12 ZINC000005452643 342764108 /nfs/dbraw/zinc/76/41/08/342764108.db2.gz AKINKDOLVIOTCB-VXGBXAGGSA-N 0 3 225.332 2.203 10 0 BEAEHN Cn1ccnc1NCc1ccc(F)cc1 ZINC000008699739 342802475 /nfs/dbraw/zinc/80/24/75/342802475.db2.gz QUTJVUBMAYNZEY-UHFFFAOYSA-N 0 3 205.236 2.171 10 0 BEAEHN CCC(CC)NCc1ncccc1N(C)C ZINC000289675534 168390371 /nfs/dbraw/zinc/39/03/71/168390371.db2.gz HMSYJXIOYOJDRZ-UHFFFAOYSA-N 0 3 221.348 2.426 10 0 BEAEHN C/C(=C/c1ccccc1)CN[C@@H]1C[C@H]1CO ZINC000309709191 342794939 /nfs/dbraw/zinc/79/49/39/342794939.db2.gz WMZCAGWRRMGAMG-AKXMXHFNSA-N 0 3 217.312 2.060 10 0 BEAEHN C[C@H](N[C@H]1CCCN(C)C1)c1ccco1 ZINC000040671975 538972607 /nfs/dbraw/zinc/97/26/07/538972607.db2.gz PGHKIHOGAWVMJN-QWRGUYRKSA-N 0 3 208.305 2.024 10 0 BEAEHN Cc1nc(CN)cc(-c2ccc(F)cc2F)n1 ZINC000259044024 342825559 /nfs/dbraw/zinc/82/55/59/342825559.db2.gz KYFJOBJUBBYIKR-UHFFFAOYSA-N 0 3 235.237 2.189 10 0 BEAEHN FCC[C@H]1CCC[C@H]1NCc1cocn1 ZINC000380001397 538983744 /nfs/dbraw/zinc/98/37/44/538983744.db2.gz MZPLBBZSKURMAR-MWLCHTKSSA-N 0 3 212.268 2.293 10 0 BEAEHN FCC[C@@H]1CCC[C@@H]1NCc1cocn1 ZINC000380001398 538983818 /nfs/dbraw/zinc/98/38/18/538983818.db2.gz MZPLBBZSKURMAR-ONGXEEELSA-N 0 3 212.268 2.293 10 0 BEAEHN CCN1C[C@H](N[C@H](C)c2nccs2)[C@@H](C)C1 ZINC000381568350 539004202 /nfs/dbraw/zinc/00/42/02/539004202.db2.gz VSFMCONWJZSQII-AXFHLTTASA-N 0 3 239.388 2.134 10 0 BEAEHN COC1CCC2(CC1)NCCc1occc12 ZINC000709990354 539027831 /nfs/dbraw/zinc/02/78/31/539027831.db2.gz PMGHHKMRJLLROO-UHFFFAOYSA-N 0 3 221.300 2.210 10 0 BEAEHN Cc1ncsc1[C@@H](N)Cc1ccco1 ZINC000164878552 342853659 /nfs/dbraw/zinc/85/36/59/342853659.db2.gz PMMORIRJDDGDRP-VIFPVBQESA-N 0 3 208.286 2.287 10 0 BEAEHN CS[C@@H]1CCC[C@@H](NCc2cncnc2)C1 ZINC000117393725 398311367 /nfs/dbraw/zinc/31/13/67/398311367.db2.gz RWYUTHGVVSMAQF-VXGBXAGGSA-N 0 3 237.372 2.240 10 0 BEAEHN CC(C)[C@@H]1CCC[C@](N)(c2ncc[nH]2)C1 ZINC000521401600 398305146 /nfs/dbraw/zinc/30/51/46/398305146.db2.gz LGWXCSHYQJEQSW-ZYHUDNBSSA-N 0 3 207.321 2.410 10 0 BEAEHN C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000406544758 342871416 /nfs/dbraw/zinc/87/14/16/342871416.db2.gz IHOLKOFROGOORH-MRVPVSSYSA-N 0 3 237.303 2.448 10 0 BEAEHN Cc1cc(C(=O)C[C@@H]2CSCCN2)cs1 ZINC000226591229 342892612 /nfs/dbraw/zinc/89/26/12/342892612.db2.gz NKWUSCRRNTUCDR-SNVBAGLBSA-N 0 3 241.381 2.334 10 0 BEAEHN CC[C@@H]1CS[C@@]2(CCS[C@@H]2C)N1 ZINC000233939801 342904721 /nfs/dbraw/zinc/90/47/21/342904721.db2.gz VGVCEIYONFTCIS-IWSPIJDZSA-N 0 3 203.376 2.323 10 0 BEAEHN COc1cc2c(c(F)c1)NC(=O)C2SC ZINC000116152858 342921045 /nfs/dbraw/zinc/92/10/45/342921045.db2.gz BNMMWQHUVIAAQH-SECBINFHSA-N 0 3 227.260 2.191 10 0 BEAEHN C[C@H](N)c1cnc(-c2cccnc2)s1 ZINC000011760728 398338271 /nfs/dbraw/zinc/33/82/71/398338271.db2.gz JCLHCJGBVBEYDP-ZETCQYMHSA-N 0 3 205.286 2.225 10 0 BEAEHN C[C@@H](N)C(=O)Nc1c(Cl)cccc1Cl ZINC000040173959 342958982 /nfs/dbraw/zinc/95/89/82/342958982.db2.gz VUHKFNXLSWNTOH-RXMQYKEDSA-N 0 3 233.098 2.279 10 0 BEAEHN CC(C)Cc1ccc([C@H](C)NCC(N)=O)cc1 ZINC000021968381 343031670 /nfs/dbraw/zinc/03/16/70/343031670.db2.gz ZWZZVJICHQYBES-NSHDSACASA-N 0 3 234.343 2.021 10 0 BEAEHN CC[C@@H]1CN=C(NC[C@H]2CCSC2)S1 ZINC000228589189 362006984 /nfs/dbraw/zinc/00/69/84/362006984.db2.gz SEJKFNXXOQGOMK-RKDXNWHRSA-N 0 3 230.402 2.211 10 0 BEAEHN CCNc1c(N)cnc2c(CC)cccc21 ZINC000584882355 343084672 /nfs/dbraw/zinc/08/46/72/343084672.db2.gz DPSZDPQMHVQVKN-UHFFFAOYSA-N 0 3 215.300 2.233 10 0 BEAEHN CC1(C)CN(C[C@@H]2CCCCCC2=O)C1 ZINC000306669492 362031943 /nfs/dbraw/zinc/03/19/43/362031943.db2.gz LDGJCKXRYCVIQQ-NSHDSACASA-N 0 3 209.333 2.478 10 0 BEAEHN Cc1ccc(C)c([C@@H](N)CN2CCO[C@H](C)C2)c1 ZINC000036988403 178496254 /nfs/dbraw/zinc/49/62/54/178496254.db2.gz BQBRYBTUGIFXFP-HIFRSBDPSA-N 0 3 248.370 2.024 10 0 BEAEHN N[C@H](COCC(F)(F)F)c1ccccc1 ZINC000023067016 343140454 /nfs/dbraw/zinc/14/04/54/343140454.db2.gz ZQCGETVTCRYVPX-SECBINFHSA-N 0 3 219.206 2.265 10 0 BEAEHN N[C@@H](COCC(F)(F)F)c1ccccc1 ZINC000023067015 343140548 /nfs/dbraw/zinc/14/05/48/343140548.db2.gz ZQCGETVTCRYVPX-VIFPVBQESA-N 0 3 219.206 2.265 10 0 BEAEHN CO[C@@H]1CC[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC000245719131 136272368 /nfs/dbraw/zinc/27/23/68/136272368.db2.gz DDVHQPVYZRFYQN-RDBSUJKOSA-N 0 3 239.359 2.197 10 0 BEAEHN c1cc([C@H]2CCCOC2)cc2c1CNC2 ZINC000145537859 343193865 /nfs/dbraw/zinc/19/38/65/343193865.db2.gz YWPXWSPGFJEESZ-LBPRGKRZSA-N 0 3 203.285 2.184 10 0 BEAEHN c1cc([C@@H]2CCCOC2)cc2c1CNC2 ZINC000145537664 343193916 /nfs/dbraw/zinc/19/39/16/343193916.db2.gz YWPXWSPGFJEESZ-GFCCVEGCSA-N 0 3 203.285 2.184 10 0 BEAEHN c1cn([C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000060250578 343297350 /nfs/dbraw/zinc/29/73/50/343297350.db2.gz MEHGZKIWJHTWJU-CQSZACIVSA-N 0 3 227.311 2.330 10 0 BEAEHN OCCC[C@H]1CCCN1CCC(F)(F)F ZINC000070916150 343339745 /nfs/dbraw/zinc/33/97/45/343339745.db2.gz VDUUDODWSOCOTE-SECBINFHSA-N 0 3 225.254 2.176 10 0 BEAEHN C[C@@H](CN1CCN(C)CC1(C)C)C(F)(F)F ZINC000335643482 136304105 /nfs/dbraw/zinc/30/41/05/136304105.db2.gz FZYLWDMXOKAXSB-VIFPVBQESA-N 0 3 238.297 2.211 10 0 BEAEHN Cc1ccc(N)cc1OC1CCN(C)CC1 ZINC000039110281 343385413 /nfs/dbraw/zinc/38/54/13/343385413.db2.gz CZRWHGPFMOMTLX-UHFFFAOYSA-N 0 3 220.316 2.050 10 0 BEAEHN CO[C@@H]1CCN[C@@H](c2ccc(F)cc2)C1 ZINC000201869874 343391612 /nfs/dbraw/zinc/39/16/12/343391612.db2.gz YPGXFZXEZBGZLM-VXGBXAGGSA-N 0 3 209.264 2.265 10 0 BEAEHN N[C@@H]1c2cc(C(F)(F)F)ccc2CCC[C@@H]1O ZINC000039941545 343393847 /nfs/dbraw/zinc/39/38/47/343393847.db2.gz TXQOOWJKBQMOQK-WDEREUQCSA-N 0 3 245.244 2.402 10 0 BEAEHN CN[C@H](c1nc2c(s1)CCC2)C1CC1 ZINC000041060844 343413841 /nfs/dbraw/zinc/41/38/41/343413841.db2.gz GOWQHPDSKKGIBP-JTQLQIEISA-N 0 3 208.330 2.302 10 0 BEAEHN COC(=O)c1ccccc1[C@@H]1CCCCN1 ZINC000044135438 343492464 /nfs/dbraw/zinc/49/24/64/343492464.db2.gz IEQZQZOYCGACDC-LBPRGKRZSA-N 0 3 219.284 2.288 10 0 BEAEHN COc1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)sn1 ZINC000399203779 488226754 /nfs/dbraw/zinc/22/67/54/488226754.db2.gz MJOWHLSDPQWOQJ-JMJZKYOTSA-N 0 3 238.356 2.430 10 0 BEAEHN FC1(F)CC[C@H]([C@@H]2NCCc3nc[nH]c32)C1 ZINC000712970866 537796358 /nfs/dbraw/zinc/79/63/58/537796358.db2.gz MGIJDAIWYZWYQU-CBAPKCEASA-N 0 3 227.258 2.032 10 0 BEAEHN COC(=O)C[C@@](C)(N)c1ccc(Cl)cc1 ZINC000086851216 343631094 /nfs/dbraw/zinc/63/10/94/343631094.db2.gz VWMKAMWFGCFHCX-LLVKDONJSA-N 0 3 227.691 2.077 10 0 BEAEHN CC(C)C[C@@H](N)c1nc2cccnc2[nH]1 ZINC000044264187 343780725 /nfs/dbraw/zinc/78/07/25/343780725.db2.gz FJBACVQNYKLTFM-MRVPVSSYSA-N 0 3 204.277 2.004 10 0 BEAEHN CNCc1cnn(CCCc2ccccc2)c1 ZINC000054719122 343789263 /nfs/dbraw/zinc/78/92/63/343789263.db2.gz AZGIMSZMORNIEW-UHFFFAOYSA-N 0 3 229.327 2.235 10 0 BEAEHN CC[C@@H](NCc1cn(C(C)C)nn1)C(C)C ZINC000309175213 346974118 /nfs/dbraw/zinc/97/41/18/346974118.db2.gz BZJIXARTPNRNAZ-GFCCVEGCSA-N 0 3 224.352 2.383 10 0 BEAEHN CCCCN(Cc1ccccc1)C(=O)CNC ZINC000409426126 343821297 /nfs/dbraw/zinc/82/12/97/343821297.db2.gz DAMUFQDDNKEEFU-UHFFFAOYSA-N 0 3 234.343 2.035 10 0 BEAEHN NCc1c(C2CCC2)[nH]nc1C(F)(F)F ZINC000409440215 343851043 /nfs/dbraw/zinc/85/10/43/343851043.db2.gz LNEWVPXFFXKBHF-UHFFFAOYSA-N 0 3 219.210 2.155 10 0 BEAEHN CN1C[C@@H](CO)C[C@@H]1c1cccc(Cl)c1 ZINC000409442299 343857681 /nfs/dbraw/zinc/85/76/81/343857681.db2.gz UPUMMBCBMAMHRE-JOYOIKCWSA-N 0 3 225.719 2.325 10 0 BEAEHN CNCc1cc(-c2cccnc2)nn1C(F)F ZINC000409443915 343863528 /nfs/dbraw/zinc/86/35/28/343863528.db2.gz WNJSNVBTVLDABG-UHFFFAOYSA-N 0 3 238.241 2.060 10 0 BEAEHN NCc1cc(-c2ccccc2)nn1C(F)F ZINC000409443194 343865920 /nfs/dbraw/zinc/86/59/20/343865920.db2.gz IOYIKMLEWMAOHO-UHFFFAOYSA-N 0 3 223.226 2.404 10 0 BEAEHN CNCc1cc(-c2ccncc2)nn1C(F)F ZINC000409443172 343866161 /nfs/dbraw/zinc/86/61/61/343866161.db2.gz IFGSISZXJNWVKC-UHFFFAOYSA-N 0 3 238.241 2.060 10 0 BEAEHN c1cn2c(n1)CC[C@@H](NCc1ccsc1)C2 ZINC000309640940 343938984 /nfs/dbraw/zinc/93/89/84/343938984.db2.gz UNVWBRFMQSBFSR-LLVKDONJSA-N 0 3 233.340 2.049 10 0 BEAEHN CC[C@@H](CC(F)F)Cn1cc(C(C)(C)N)nn1 ZINC000641182869 362259288 /nfs/dbraw/zinc/25/92/88/362259288.db2.gz UMBZNJDJVFJBLQ-QMMMGPOBSA-N 0 3 246.305 2.153 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCCC[C@H]2CO)o1 ZINC000164263181 178624026 /nfs/dbraw/zinc/62/40/26/178624026.db2.gz AWVHHSGEVVMOCP-WCQYABFASA-N 0 3 223.316 2.229 10 0 BEAEHN COC(C)(C)C[C@@H]1NC(C)(C)CS1 ZINC000234614718 344156694 /nfs/dbraw/zinc/15/66/94/344156694.db2.gz MDGFFNSYIPCRAG-MRVPVSSYSA-N 0 3 203.351 2.243 10 0 BEAEHN C[C@@H]1C[C@@H](N)c2nc(C(F)(F)F)ccc2N1 ZINC000218061572 344214305 /nfs/dbraw/zinc/21/43/05/344214305.db2.gz OMBQLJBDANDAIU-PHDIDXHHSA-N 0 3 231.221 2.304 10 0 BEAEHN CNCc1nc2cc(F)c(Cl)cc2[nH]1 ZINC000306531414 344240202 /nfs/dbraw/zinc/24/02/02/344240202.db2.gz AGYWSEFKMSSNEQ-UHFFFAOYSA-N 0 3 213.643 2.075 10 0 BEAEHN CNCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000306531414 344240204 /nfs/dbraw/zinc/24/02/04/344240204.db2.gz AGYWSEFKMSSNEQ-UHFFFAOYSA-N 0 3 213.643 2.075 10 0 BEAEHN C[C@H](Cc1ccsc1)NCc1cncnc1 ZINC000054768112 344251619 /nfs/dbraw/zinc/25/16/19/344251619.db2.gz FSWOSWBSMPJKNB-SNVBAGLBSA-N 0 3 233.340 2.259 10 0 BEAEHN Cc1ccc(F)c([C@@](C)(F)CN)c1F ZINC000158241364 344570639 /nfs/dbraw/zinc/57/06/39/344570639.db2.gz OFOLNUMIMYAURO-JTQLQIEISA-N 0 3 203.207 2.417 10 0 BEAEHN COc1cc([C@](C)(F)CN)ccc1Cl ZINC000158250401 344571942 /nfs/dbraw/zinc/57/19/42/344571942.db2.gz ASHCSAQJKSVMQF-SNVBAGLBSA-N 0 3 217.671 2.492 10 0 BEAEHN F[C@@]1(CC[C@@H]2CCCO2)CCCNC1 ZINC000158097489 344541929 /nfs/dbraw/zinc/54/19/29/344541929.db2.gz ZSEGOSDZCWHESW-WDEREUQCSA-N 0 3 201.285 2.037 10 0 BEAEHN C[C@@](F)(CN)[C@H]1CCOC2(CCC2)C1 ZINC000158252791 344575017 /nfs/dbraw/zinc/57/50/17/344575017.db2.gz MNSSQPJTIIOEJO-VHSXEESVSA-N 0 3 201.285 2.023 10 0 BEAEHN c1nc2c([nH]1)[C@@H](CCCC1CC1)NCC2 ZINC000720161686 537852135 /nfs/dbraw/zinc/85/21/35/537852135.db2.gz HOQFBQDXUBUASV-SNVBAGLBSA-N 0 3 205.305 2.177 10 0 BEAEHN c1nc2c([nH]1)[C@H](CCCC1CC1)NCC2 ZINC000720161683 537852195 /nfs/dbraw/zinc/85/21/95/537852195.db2.gz HOQFBQDXUBUASV-JTQLQIEISA-N 0 3 205.305 2.177 10 0 BEAEHN CN(C)c1ccc(OC(F)(F)F)cc1CN ZINC000396122935 344609028 /nfs/dbraw/zinc/60/90/28/344609028.db2.gz VPEKBWGDLYCEQR-UHFFFAOYSA-N 0 3 234.221 2.110 10 0 BEAEHN C[C@@H]1CCC[C@@H]([C@@H]2NCCc3nc[nH]c32)C1 ZINC000400389287 537853491 /nfs/dbraw/zinc/85/34/91/537853491.db2.gz JURBAHRKGDTISC-FOGDFJRCSA-N 0 3 219.332 2.423 10 0 BEAEHN CC1CCC([C@H]2NCCc3nc[nH]c32)CC1 ZINC000400399063 537854497 /nfs/dbraw/zinc/85/44/97/537854497.db2.gz NIYGNRVXNAXHRS-RTYFJBAXSA-N 0 3 219.332 2.423 10 0 BEAEHN CC(C)C[C@@H](C)[C@H]1NCCc2nc[nH]c21 ZINC000400408734 537854907 /nfs/dbraw/zinc/85/49/07/537854907.db2.gz ROMPDCYJOYENHL-MWLCHTKSSA-N 0 3 207.321 2.279 10 0 BEAEHN Cc1ccc(N)cc1N[C@H]1CCCN(C)C1 ZINC000053735168 178709320 /nfs/dbraw/zinc/70/93/20/178709320.db2.gz LNDCBJMUWSAQKA-LBPRGKRZSA-N 0 3 219.332 2.083 10 0 BEAEHN C[C@H]1SCC[C@]12NC[C@@H](C)CS2 ZINC000235326916 344884132 /nfs/dbraw/zinc/88/41/32/344884132.db2.gz FSLFRPLVDASOLK-IWSPIJDZSA-N 0 3 203.376 2.181 10 0 BEAEHN CSC1CCC(NC2=NCCS2)CC1 ZINC000235294645 344875518 /nfs/dbraw/zinc/87/55/18/344875518.db2.gz KPNKVURGRCUKGO-UHFFFAOYSA-N 0 3 230.402 2.353 10 0 BEAEHN Cc1csc([C@H](N)[C@@H]2CCSC2)n1 ZINC000224627357 344956973 /nfs/dbraw/zinc/95/69/73/344956973.db2.gz LBASYUPBUXXJQW-HTQZYQBOSA-N 0 3 214.359 2.204 10 0 BEAEHN COc1cc([C@@H](N)CF)ccc1Cl ZINC000238417284 345045813 /nfs/dbraw/zinc/04/58/13/345045813.db2.gz HKFYZFAFOGPHCS-QMMMGPOBSA-N 0 3 203.644 2.318 10 0 BEAEHN N[C@H](CCO)c1c(Cl)cccc1Cl ZINC000044396343 345051286 /nfs/dbraw/zinc/05/12/86/345051286.db2.gz RWDWDNMIKIBVGZ-MRVPVSSYSA-N 0 3 220.099 2.376 10 0 BEAEHN CCC[C@@H](C(=O)N1CCC2(CCC2)C1)N(C)C ZINC000154242051 345022348 /nfs/dbraw/zinc/02/23/48/345022348.db2.gz NHBCWKWHAVLLJN-LBPRGKRZSA-N 0 3 238.375 2.119 10 0 BEAEHN Cc1ccc(Br)c2c1[C@@H](N)CO2 ZINC000238533072 345071199 /nfs/dbraw/zinc/07/11/99/345071199.db2.gz WVZRIHJQUQFGTI-ZETCQYMHSA-N 0 3 228.089 2.150 10 0 BEAEHN NCc1c(Cl)ccnc1OC(F)(F)F ZINC000238602513 345089593 /nfs/dbraw/zinc/08/95/93/345089593.db2.gz ZYZCSUDEXQRMMG-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN CC[C@@H]1CN=C(NC[C@@H]2CCSC2)S1 ZINC000228589180 345370014 /nfs/dbraw/zinc/37/00/14/345370014.db2.gz SEJKFNXXOQGOMK-DTWKUNHWSA-N 0 3 230.402 2.211 10 0 BEAEHN CC[C@H]1CN(Cc2cccc(F)c2)CC[C@@H]1O ZINC000159494758 345466762 /nfs/dbraw/zinc/46/67/62/345466762.db2.gz HGBZITKGXRUALW-JSGCOSHPSA-N 0 3 237.318 2.419 10 0 BEAEHN COc1cc(F)cc(CN[C@@H]2CCO[C@H]2C)c1 ZINC000090972461 345578311 /nfs/dbraw/zinc/57/83/11/345578311.db2.gz NXJDRRJQMISCNV-TVQRCGJNSA-N 0 3 239.290 2.101 10 0 BEAEHN C[C@@H]1CC(N)=NN1c1ccccc1Cl ZINC000137409431 345625916 /nfs/dbraw/zinc/62/59/16/345625916.db2.gz DBFGEQQYXYSILM-SSDOTTSWSA-N 0 3 209.680 2.211 10 0 BEAEHN CC[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1O ZINC000253290315 345641382 /nfs/dbraw/zinc/64/13/82/345641382.db2.gz PQRVAWUIQXVUHR-GXTWGEPZSA-N 0 3 237.318 2.419 10 0 BEAEHN Cc1ccc([C@H](CN)N(C)Cc2cccnc2)o1 ZINC000036770927 178903323 /nfs/dbraw/zinc/90/33/23/178903323.db2.gz DGZCTEMTQKUZEG-ZDUSSCGKSA-N 0 3 245.326 2.115 10 0 BEAEHN C[C@@H](c1ccco1)N1CCCC[C@H]1CO ZINC000253606230 345692283 /nfs/dbraw/zinc/69/22/83/345692283.db2.gz KNVFRZBZYOLLJH-QWRGUYRKSA-N 0 3 209.289 2.187 10 0 BEAEHN CCCC/C=C/S(=O)(=O)C[C@H](N)CCC ZINC000206722997 345758040 /nfs/dbraw/zinc/75/80/40/345758040.db2.gz WXNLFNIMROEMAR-MXMFLMJRSA-N 0 3 233.377 2.233 10 0 BEAEHN c1coc(CN2CCC[C@H]2Cn2ccnc2)c1 ZINC000097103954 537910164 /nfs/dbraw/zinc/91/01/64/537910164.db2.gz UNZVSOGFRUOCQF-LBPRGKRZSA-N 0 3 231.299 2.141 10 0 BEAEHN C[C@@H]1CCc2nc([C@H]3CCCCN3)cn2C1 ZINC000258487923 345784656 /nfs/dbraw/zinc/78/46/56/345784656.db2.gz QUCSTXBJJMZJDV-GHMZBOCLSA-N 0 3 219.332 2.280 10 0 BEAEHN C[C@@](F)(CN)Cc1c(F)cccc1F ZINC000166780475 345787082 /nfs/dbraw/zinc/78/70/82/345787082.db2.gz RWRMHHYSAMVMDD-JTQLQIEISA-N 0 3 203.207 2.194 10 0 BEAEHN Cc1ccc([C@](C)(NCC2CC2)C(N)=O)cc1C ZINC000037952205 178926120 /nfs/dbraw/zinc/92/61/20/178926120.db2.gz AUIRTDAETRKAJL-HNNXBMFYSA-N 0 3 246.354 2.004 10 0 BEAEHN O=C1CCC(N2CCC(F)(F)CC2)CC1 ZINC000141858220 345856906 /nfs/dbraw/zinc/85/69/06/345856906.db2.gz MRPLWVFDMQGJAA-UHFFFAOYSA-N 0 3 217.259 2.229 10 0 BEAEHN CCCCCNc1cc(NC)nc(C)n1 ZINC000087807968 345941905 /nfs/dbraw/zinc/94/19/05/345941905.db2.gz YGMDBPCEYRCKRU-UHFFFAOYSA-N 0 3 208.309 2.429 10 0 BEAEHN Cc1nc(N)cc(N[C@H]2CCCC[C@@H]2C)n1 ZINC000087808216 345942275 /nfs/dbraw/zinc/94/22/75/345942275.db2.gz QYJBYPDUTCEYJY-WPRPVWTQSA-N 0 3 220.320 2.358 10 0 BEAEHN Cc1nc(N)cc(NCC2CCCCC2)n1 ZINC000087810222 345942413 /nfs/dbraw/zinc/94/24/13/345942413.db2.gz NRVANPWFZQVQAX-UHFFFAOYSA-N 0 3 220.320 2.359 10 0 BEAEHN CCOC[C@@H](C)NCc1ccc(CC)o1 ZINC000051724988 345945295 /nfs/dbraw/zinc/94/52/95/345945295.db2.gz BGXOXNSMYROVLI-SNVBAGLBSA-N 0 3 211.305 2.357 10 0 BEAEHN C[C@H]1Oc2cc(F)c(Br)cc2[C@@H]1N ZINC000148401118 346087988 /nfs/dbraw/zinc/08/79/88/346087988.db2.gz FPSKEIWZXGUYPV-ALFREKQPSA-N 0 3 246.079 2.369 10 0 BEAEHN c1ncc(CNCCOCc2ccccc2)s1 ZINC000136272277 346182168 /nfs/dbraw/zinc/18/21/68/346182168.db2.gz QQNFZPJNZOBKLI-UHFFFAOYSA-N 0 3 248.351 2.450 10 0 BEAEHN NC[C@@H](F)Cc1c(F)cccc1Cl ZINC000158053983 346390488 /nfs/dbraw/zinc/39/04/88/346390488.db2.gz FQQPMQVIBYMBOP-LURJTMIESA-N 0 3 205.635 2.318 10 0 BEAEHN CC[C@@](F)(CN)c1c(F)cccc1F ZINC000158345127 346394411 /nfs/dbraw/zinc/39/44/11/346394411.db2.gz DDVWZDJFWGMJOH-SNVBAGLBSA-N 0 3 203.207 2.498 10 0 BEAEHN CC(C)CCNCc1nc(CN(C)C)cs1 ZINC000669379440 537979158 /nfs/dbraw/zinc/97/91/58/537979158.db2.gz BPFSVSILYBBKKX-UHFFFAOYSA-N 0 3 241.404 2.340 10 0 BEAEHN Cc1[n-]n(C)c(=O)c1-c1ccc([C@H](C)[NH3+])cc1 ZINC000675054937 537980695 /nfs/dbraw/zinc/98/06/95/537980695.db2.gz WVEVPCLZYUTHEE-QMMMGPOBSA-N 0 3 231.299 2.121 10 0 BEAEHN Fc1cccc2c1[C@H](NCC1CC1)CO2 ZINC000374674329 346543440 /nfs/dbraw/zinc/54/34/40/346543440.db2.gz CACINCQCSYVFIW-SNVBAGLBSA-N 0 3 207.248 2.259 10 0 BEAEHN COC[C@H](N)c1csc(Br)c1 ZINC000164308126 346599978 /nfs/dbraw/zinc/59/99/78/346599978.db2.gz QHCFEHKUEPZUKG-LURJTMIESA-N 0 3 236.134 2.157 10 0 BEAEHN Cc1ncsc1[C@@H](N)Cc1nccs1 ZINC000164528121 346608325 /nfs/dbraw/zinc/60/83/25/346608325.db2.gz IQUUKLPYQDTPJD-ZETCQYMHSA-N 0 3 225.342 2.151 10 0 BEAEHN CCN1CCC[C@@H](Nc2ncc(C)s2)C1 ZINC000302769172 346610087 /nfs/dbraw/zinc/61/00/87/346610087.db2.gz AZYATQXARUVQSX-SNVBAGLBSA-N 0 3 225.361 2.348 10 0 BEAEHN Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C)N2)c1 ZINC000019488087 179141322 /nfs/dbraw/zinc/14/13/22/179141322.db2.gz ARBOOHRKBAEREK-DGCLKSJQSA-N 0 3 232.327 2.464 10 0 BEAEHN Cc1cccc(NC(=O)[C@H]2CCC[C@H](C)N2)c1 ZINC000019488088 179141614 /nfs/dbraw/zinc/14/16/14/179141614.db2.gz ARBOOHRKBAEREK-WCQYABFASA-N 0 3 232.327 2.464 10 0 BEAEHN CCCN(C)Cc1cc(CN)c(F)cc1F ZINC000669380152 537986038 /nfs/dbraw/zinc/98/60/38/537986038.db2.gz RRWKMHGAMXSMSY-UHFFFAOYSA-N 0 3 228.286 2.265 10 0 BEAEHN Cc1cccc(N[C@H]2CCN(C)C2)c1C ZINC000061984688 179158111 /nfs/dbraw/zinc/15/81/11/179158111.db2.gz FYRMKZVERIAOMZ-LBPRGKRZSA-N 0 3 204.317 2.419 10 0 BEAEHN C[C@]1(CCC(F)(F)F)NCCc2nc[nH]c21 ZINC000725242759 537986441 /nfs/dbraw/zinc/98/64/41/537986441.db2.gz QPEZXERBFSOWSJ-SECBINFHSA-N 0 3 233.237 2.113 10 0 BEAEHN Cc1cccc(N[C@]2(CO)CCN(C3CC3)C2)c1 ZINC000061992124 179158388 /nfs/dbraw/zinc/15/83/88/179158388.db2.gz CGVHFAODEATQMM-OAHLLOKOSA-N 0 3 246.354 2.006 10 0 BEAEHN Cc1cccc2cc(N3CCNCC3)oc21 ZINC000082970204 179226524 /nfs/dbraw/zinc/22/65/24/179226524.db2.gz WPZBCQNQRKGSQT-UHFFFAOYSA-N 0 3 216.284 2.151 10 0 BEAEHN Cc1ccccc1Oc1ccc(CN)nn1 ZINC000051548004 179313571 /nfs/dbraw/zinc/31/35/71/179313571.db2.gz ZWENSPSADIELKK-UHFFFAOYSA-N 0 3 215.256 2.036 10 0 BEAEHN Cc1csc(CNC[C@@H]2CCCCN2C)n1 ZINC000054243371 1172097395 /nfs/dbraw/zinc/09/73/95/1172097395.db2.gz OUKJREHJVUOVCO-NSHDSACASA-N 0 3 239.388 2.025 10 0 BEAEHN Cc1ccccc1[C@@H](N)CN(C)C1CC1 ZINC000037081028 179325191 /nfs/dbraw/zinc/32/51/91/179325191.db2.gz XGRYIZUESXAFEY-ZDUSSCGKSA-N 0 3 204.317 2.089 10 0 BEAEHN CC(=O)CCN1CCC[C@@H]1c1ccco1 ZINC000116293196 187384763 /nfs/dbraw/zinc/38/47/63/187384763.db2.gz BELSKLBWASFBAR-LLVKDONJSA-N 0 3 207.273 2.396 10 0 BEAEHN Cc1ccccc1[C@H](C)NCC(=O)N(C)C1CC1 ZINC000049525925 179337429 /nfs/dbraw/zinc/33/74/29/179337429.db2.gz KJVBJHJLNRRARI-LBPRGKRZSA-N 0 3 246.354 2.266 10 0 BEAEHN Cc1ccccc1[C@H](C)NCC1OCCO1 ZINC000180235118 179337706 /nfs/dbraw/zinc/33/77/06/179337706.db2.gz NGXSJIQBDDEVKW-NSHDSACASA-N 0 3 221.300 2.019 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)C(C)C ZINC000121653439 187386546 /nfs/dbraw/zinc/38/65/46/187386546.db2.gz DRNCVDTXRXDXLX-GFCCVEGCSA-N 0 3 243.395 2.013 10 0 BEAEHN CC(C)C(=O)N1CCCc2c(CN)cccc21 ZINC000616570983 348085793 /nfs/dbraw/zinc/08/57/93/348085793.db2.gz IWEKZZMKSNJZFA-UHFFFAOYSA-N 0 3 232.327 2.081 10 0 BEAEHN C[C@H]1CN[C@@]2(CCN(Cc3ccccc3)C2)S1 ZINC000159136597 348309593 /nfs/dbraw/zinc/30/95/93/348309593.db2.gz GKZOUYGOKJLIIK-JSGCOSHPSA-N 0 3 248.395 2.314 10 0 BEAEHN C[C@@H]1CS[C@]2(CCCS[C@H]2C)N1 ZINC000251619167 362892081 /nfs/dbraw/zinc/89/20/81/362892081.db2.gz DVLQRRLWEBUUJE-VGMNWLOBSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@H](N)c1cnc(N2CC[C@H](C)C2)s1 ZINC000251773604 362913024 /nfs/dbraw/zinc/91/30/24/362913024.db2.gz VJUJANIUYUBZPW-YUMQZZPRSA-N 0 3 211.334 2.009 10 0 BEAEHN CN(Cc1ccsc1)[C@@H]1CCC[C@@H]1O ZINC000037489697 348622405 /nfs/dbraw/zinc/62/24/05/348622405.db2.gz GGNODZFCBYZGDB-MNOVXSKESA-N 0 3 211.330 2.093 10 0 BEAEHN C[C@@H]1CS[C@@]2(CCN(Cc3ccccc3)C2)N1 ZINC000159142868 348626089 /nfs/dbraw/zinc/62/60/89/348626089.db2.gz LJQODBBJMSUZCS-TZMCWYRMSA-N 0 3 248.395 2.314 10 0 BEAEHN N[C@@H]1C[C@@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247691 538013856 /nfs/dbraw/zinc/01/38/56/538013856.db2.gz USPJSFCLUODZPH-ZJUUUORDSA-N 0 3 228.217 2.100 10 0 BEAEHN CC(C)c1ccc2c(c1)[C@@]1(C[C@@H]1N)CN2 ZINC000725247815 538012842 /nfs/dbraw/zinc/01/28/42/538012842.db2.gz ZMFWDDIVVICYAF-QWHCGFSZSA-N 0 3 202.301 2.204 10 0 BEAEHN CC(C)c1cccc2c1NC[C@]21C[C@H]1N ZINC000725247784 538012912 /nfs/dbraw/zinc/01/29/12/538012912.db2.gz YBIFVVKPINJEDY-DGCLKSJQSA-N 0 3 202.301 2.204 10 0 BEAEHN O[C@@H]1CCC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000599516515 349205635 /nfs/dbraw/zinc/20/56/35/349205635.db2.gz HSABMUJLFBWOIL-VXGBXAGGSA-N 0 3 242.322 2.372 10 0 BEAEHN CCCCC[C@@H](C)N[C@@H]1COC[C@H]1F ZINC000616581448 349264430 /nfs/dbraw/zinc/26/44/30/349264430.db2.gz RPFCUZSDLLHAFP-GMTAPVOTSA-N 0 3 203.301 2.282 10 0 BEAEHN Cn1nc(-c2cccc(Cl)c2)c2c1CCNC2 ZINC000028011432 190983280 /nfs/dbraw/zinc/98/32/80/190983280.db2.gz PKYCNIPJKBAJGC-UHFFFAOYSA-N 0 3 247.729 2.386 10 0 BEAEHN NCc1nsc2c1cc(F)c(F)c2F ZINC000725254030 538042796 /nfs/dbraw/zinc/04/27/96/538042796.db2.gz BUYRFAHFNKYUAQ-UHFFFAOYSA-N 0 3 218.203 2.172 10 0 BEAEHN CCn1c2cc(F)ccc2nc1[C@H](C)NC ZINC000054053086 187437191 /nfs/dbraw/zinc/43/71/91/187437191.db2.gz CGWOBNJXEHZHAW-QMMMGPOBSA-N 0 3 221.279 2.476 10 0 BEAEHN CC(C)[C@@H](C)N1CCN2CCCC[C@H]2C1 ZINC000251282279 538044751 /nfs/dbraw/zinc/04/47/51/538044751.db2.gz DOENEUMWYMJDBD-OLZOCXBDSA-N 0 3 210.365 2.201 10 0 BEAEHN CC(C)[C@H](C)N1CCN2CCCC[C@H]2C1 ZINC000251282285 538045219 /nfs/dbraw/zinc/04/52/19/538045219.db2.gz DOENEUMWYMJDBD-STQMWFEESA-N 0 3 210.365 2.201 10 0 BEAEHN Cc1nc(N2CCCC2)c(C)c(C)c1O ZINC000143859884 180000617 /nfs/dbraw/zinc/00/06/17/180000617.db2.gz VCPAMQFEBNYADD-UHFFFAOYSA-N 0 3 206.289 2.313 10 0 BEAEHN Cc1nc(N2CCC[C@@H]2C)sc1[C@@H](C)N ZINC000054863884 180002208 /nfs/dbraw/zinc/00/22/08/180002208.db2.gz RPPYKNSWXWGTFL-JGVFFNPUSA-N 0 3 225.361 2.460 10 0 BEAEHN Cc1nc(N2CCC[C@H](C)C2)sc1CN ZINC000054995546 180002917 /nfs/dbraw/zinc/00/29/17/180002917.db2.gz JJKIILUXHFFTFE-QMMMGPOBSA-N 0 3 225.361 2.147 10 0 BEAEHN Cc1nc([C@@H](N)Cc2ccncc2)cs1 ZINC000082366337 180039015 /nfs/dbraw/zinc/03/90/15/180039015.db2.gz FVAMLHPRSKHXOQ-JTQLQIEISA-N 0 3 219.313 2.089 10 0 BEAEHN CO[C@@H]1C[C@H](N[C@@H](C)c2nccnc2C)C1(C)C ZINC000219177827 350116125 /nfs/dbraw/zinc/11/61/25/350116125.db2.gz PRNCWCBKYODRKM-SDDRHHMPSA-N 0 3 249.358 2.249 10 0 BEAEHN Cc1nc([C@@H](N)Cc2ccccn2)cs1 ZINC000082366341 180040487 /nfs/dbraw/zinc/04/04/87/180040487.db2.gz GDYJJSORCSIIIP-JTQLQIEISA-N 0 3 219.313 2.089 10 0 BEAEHN Cc1nc([C@@H]2CCCOC2)c(N)n1CC(C)C ZINC000104317240 180046160 /nfs/dbraw/zinc/04/61/60/180046160.db2.gz XTPOLJYDRYPLDO-LLVKDONJSA-N 0 3 237.347 2.324 10 0 BEAEHN Cc1[nH]c([C@H](C)N)nc1-c1cccs1 ZINC000041062174 180048073 /nfs/dbraw/zinc/04/80/73/180048073.db2.gz COFCCOYXJAGRRR-LURJTMIESA-N 0 3 207.302 2.466 10 0 BEAEHN Cc1nc([C@H](C)N)[nH]c1-c1cccs1 ZINC000041062174 180048075 /nfs/dbraw/zinc/04/80/75/180048075.db2.gz COFCCOYXJAGRRR-LURJTMIESA-N 0 3 207.302 2.466 10 0 BEAEHN Cc1nc([C@]2(N)CCSC2)sc1C ZINC000041059985 180060663 /nfs/dbraw/zinc/06/06/63/180060663.db2.gz TYBSCZJHEHPFIF-VIFPVBQESA-N 0 3 214.359 2.051 10 0 BEAEHN CN(c1ccccc1F)C1CCN(C)CC1 ZINC000071711277 350127002 /nfs/dbraw/zinc/12/70/02/350127002.db2.gz CBJVYUZBJMKNGJ-UHFFFAOYSA-N 0 3 222.307 2.356 10 0 BEAEHN Cc1nc2cc(Cl)ccn2c1[C@@H](C)N ZINC000074376548 180080542 /nfs/dbraw/zinc/08/05/42/180080542.db2.gz GFYQYRQGMCEOFS-ZCFIWIBFSA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1ccc(CNC[C@@H](O)C(C)(C)C)nc1C ZINC000314105171 350167076 /nfs/dbraw/zinc/16/70/76/350167076.db2.gz FHHHHWXAIUKJIM-CYBMUJFWSA-N 0 3 236.359 2.195 10 0 BEAEHN Cc1ncc(CN[C@@H]2CCCCC[C@H]2O)s1 ZINC000040997926 180156987 /nfs/dbraw/zinc/15/69/87/180156987.db2.gz UJAOTFWMSYJIIQ-VXGBXAGGSA-N 0 3 240.372 2.235 10 0 BEAEHN Cc1ncc(CN[C@H]2CCCC[C@H]2CO)s1 ZINC000152331248 180159197 /nfs/dbraw/zinc/15/91/97/180159197.db2.gz FLVOIHYEGWSQFE-JQWIXIFHSA-N 0 3 240.372 2.092 10 0 BEAEHN Cc1ncc(CNCc2ccc(F)c(F)c2)[nH]1 ZINC000054822507 180152015 /nfs/dbraw/zinc/15/20/15/180152015.db2.gz BMGVRLRBSHIREJ-UHFFFAOYSA-N 0 3 237.253 2.286 10 0 BEAEHN Cc1ncc2c(n1)CCN([C@H]1CC[C@H](C)C1)C2 ZINC000334188235 180178055 /nfs/dbraw/zinc/17/80/55/180178055.db2.gz GKPVANYNZSFKSE-GWCFXTLKSA-N 0 3 231.343 2.332 10 0 BEAEHN Cc1nccc(CNCC2(C)CCCC2)n1 ZINC000082625323 180188873 /nfs/dbraw/zinc/18/88/73/180188873.db2.gz SVLSSZBNZXGWAT-UHFFFAOYSA-N 0 3 219.332 2.455 10 0 BEAEHN Cc1nccc(CNC[C@@H]2CCCSC2)n1 ZINC000304405000 180189095 /nfs/dbraw/zinc/18/90/95/180189095.db2.gz HTBJYUGETDOTFJ-NSHDSACASA-N 0 3 237.372 2.018 10 0 BEAEHN Cc1nccc(CNC[C@H]2CCC(F)(F)C2)n1 ZINC000302364044 180189189 /nfs/dbraw/zinc/18/91/89/180189189.db2.gz GXOQJIOBNONZQZ-JTQLQIEISA-N 0 3 241.285 2.310 10 0 BEAEHN Cc1nccc(CNCCCC(F)(F)F)n1 ZINC000123578466 180189236 /nfs/dbraw/zinc/18/92/36/180189236.db2.gz ZXTGEFYNBKRXGW-UHFFFAOYSA-N 0 3 233.237 2.217 10 0 BEAEHN Cc1ncccc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000165320870 180227837 /nfs/dbraw/zinc/22/78/37/180227837.db2.gz FCQFRXWNMRZLSC-PWSUYJOCSA-N 0 3 231.343 2.427 10 0 BEAEHN Cc1nccn1C[C@H]1CCCN1Cc1ccco1 ZINC000180120493 180269818 /nfs/dbraw/zinc/26/98/18/180269818.db2.gz PAFHDGZDIJJWRD-CYBMUJFWSA-N 0 3 245.326 2.449 10 0 BEAEHN NCc1c(C2CCCC2)nc2ccccn21 ZINC000725260618 538083235 /nfs/dbraw/zinc/08/32/35/538083235.db2.gz WDYPUYACLSQVKN-UHFFFAOYSA-N 0 3 215.300 2.451 10 0 BEAEHN Cc1cccc(Cc2cc(CN)nc(C)n2)c1 ZINC000076070336 350346965 /nfs/dbraw/zinc/34/69/65/350346965.db2.gz BJAAVQNASNMADZ-UHFFFAOYSA-N 0 3 227.311 2.143 10 0 BEAEHN Cc1ncsc1[C@@H](C)NC[C@H]1CCCO1 ZINC000037215351 180327512 /nfs/dbraw/zinc/32/75/12/180327512.db2.gz VHRDKMBPVSLZQN-PSASIEDQSA-N 0 3 226.345 2.281 10 0 BEAEHN Cc1nn(C)c(C)c1[C@H](C)N[C@@H]1CC1(C)C ZINC000045172926 180348300 /nfs/dbraw/zinc/34/83/00/180348300.db2.gz URKWWFQWIJTTDW-GZMMTYOYSA-N 0 3 221.348 2.486 10 0 BEAEHN CCN1CCO[C@@H](c2ccc(CCO)cc2)CC1 ZINC000616593026 350492803 /nfs/dbraw/zinc/49/28/03/350492803.db2.gz GZECFHPKMZILAG-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN Cc1nc(CN)cc([C@H](C)c2ccccc2)n1 ZINC000409437115 350480346 /nfs/dbraw/zinc/48/03/46/350480346.db2.gz CCRUKYHORCYFRD-SNVBAGLBSA-N 0 3 227.311 2.396 10 0 BEAEHN COCC[C@@H](C)N[C@@H]1COc2ccccc21 ZINC000070068802 350497702 /nfs/dbraw/zinc/49/77/02/350497702.db2.gz SJWVCFQWSGPKMU-ZYHUDNBSSA-N 0 3 221.300 2.135 10 0 BEAEHN CCN1CCO[C@H](c2ccccc2OC)CC1 ZINC000616595136 350602577 /nfs/dbraw/zinc/60/25/77/350602577.db2.gz VFSIJTLISTVFQN-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CC(C)N1CCO[C@@H](c2ccc(N)cc2)CC1 ZINC000616593399 350580624 /nfs/dbraw/zinc/58/06/24/350580624.db2.gz JUAHENGESXXUNU-CQSZACIVSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)(C)N1CCCOC[C@H]1c1cccnc1N ZINC000616597088 350636518 /nfs/dbraw/zinc/63/65/18/350636518.db2.gz MOJMDRCITFBMLF-LBPRGKRZSA-N 0 3 249.358 2.226 10 0 BEAEHN CCN1CCOCC[C@@H]1c1ccccc1N ZINC000616597629 350653203 /nfs/dbraw/zinc/65/32/03/350653203.db2.gz FFYUIZJLGZORGO-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)CN(CC(=O)Nc1ccncc1)C1CC1 ZINC000112558907 350654878 /nfs/dbraw/zinc/65/48/78/350654878.db2.gz JWTWYYVTHVZGKT-UHFFFAOYSA-N 0 3 247.342 2.141 10 0 BEAEHN CC(C)(C)N1CCOCC[C@H]1c1ccnc(N)c1 ZINC000616598578 350675579 /nfs/dbraw/zinc/67/55/79/350675579.db2.gz PRUMZWZRKOYDNM-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN Cc1noc(CCNC/C=C/c2ccccc2)n1 ZINC000105469326 180483962 /nfs/dbraw/zinc/48/39/62/180483962.db2.gz JEKBLHQGROKBNN-VMPITWQZSA-N 0 3 243.310 2.224 10 0 BEAEHN c1cc2cc([C@H]3COCCCN3)ccc2cn1 ZINC000616598606 350676897 /nfs/dbraw/zinc/67/68/97/350676897.db2.gz FTXGCHVANOHWDF-CQSZACIVSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616598833 350687273 /nfs/dbraw/zinc/68/72/73/350687273.db2.gz SWJKBHBGBJNSIH-NSHDSACASA-N 0 3 225.719 2.386 10 0 BEAEHN CCN1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616598854 350687389 /nfs/dbraw/zinc/68/73/89/350687389.db2.gz TUOLAVTZDZUJPA-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CN1CCCOC[C@@H]1c1cccc2nnccc21 ZINC000616599355 350743625 /nfs/dbraw/zinc/74/36/25/350743625.db2.gz JVYFOOUCELWXQQ-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)(C)N1CCCC[C@@H]1c1c[nH]nc1N ZINC000616614029 350819882 /nfs/dbraw/zinc/81/98/82/350819882.db2.gz GLPQVSDCVPLWEO-SNVBAGLBSA-N 0 3 222.336 2.148 10 0 BEAEHN CC(C)N1CCCOC[C@@H]1c1ccc(CO)cc1 ZINC000616599917 350775548 /nfs/dbraw/zinc/77/55/48/350775548.db2.gz SOLQGVHMZDIMSC-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CCN1CCCC[C@H](c2ncccn2)C1 ZINC000616603852 350795744 /nfs/dbraw/zinc/79/57/44/350795744.db2.gz YCDJEIZXDNCQCZ-NSHDSACASA-N 0 3 205.305 2.066 10 0 BEAEHN OCCN1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000616607535 350801326 /nfs/dbraw/zinc/80/13/26/350801326.db2.gz JSZACKNWBLKKTQ-OAHLLOKOSA-N 0 3 242.322 2.364 10 0 BEAEHN CC(C)(C)N1CCC[C@@H]1c1ncccn1 ZINC000616608375 350804825 /nfs/dbraw/zinc/80/48/25/350804825.db2.gz SBFJZUVCPMQCRN-SNVBAGLBSA-N 0 3 205.305 2.412 10 0 BEAEHN CCN1CCCC[C@H]1c1ccnc(N)c1 ZINC000616616075 350853270 /nfs/dbraw/zinc/85/32/70/350853270.db2.gz ZBGXYFALMBJSDQ-NSHDSACASA-N 0 3 205.305 2.041 10 0 BEAEHN Cc1nc(C(F)(F)F)sc1[C@@H](C)N ZINC000159599672 350920750 /nfs/dbraw/zinc/92/07/50/350920750.db2.gz UIJSKDGIAAOELF-GSVOUGTGSA-N 0 3 210.224 2.490 10 0 BEAEHN CN1CCC(c2cc3ccccc3nn2)CC1 ZINC000616619001 350926115 /nfs/dbraw/zinc/92/61/15/350926115.db2.gz CYQBOLQRGOBQCS-UHFFFAOYSA-N 0 3 227.311 2.439 10 0 BEAEHN Clc1cnc([C@H]2NC[C@@H]2C2CC2)s1 ZINC000306771413 351007759 /nfs/dbraw/zinc/00/77/59/351007759.db2.gz CITMCMMUKGQTGY-SVRRBLITSA-N 0 3 214.721 2.467 10 0 BEAEHN CO[C@H](C)[C@@]1(C)NCCc2sccc21 ZINC000306770576 351003544 /nfs/dbraw/zinc/00/35/44/351003544.db2.gz FXVRGCLXMRXQKR-LDYMZIIASA-N 0 3 211.330 2.144 10 0 BEAEHN N[C@H]1CCCc2sc(C(F)(F)F)nc21 ZINC000159602257 350949809 /nfs/dbraw/zinc/94/98/09/350949809.db2.gz PXTNUPSZFCCQPL-BYPYZUCNSA-N 0 3 222.235 2.498 10 0 BEAEHN N[C@@H]1CCCc2sc(C(F)(F)F)nc21 ZINC000159602102 350949893 /nfs/dbraw/zinc/94/98/93/350949893.db2.gz PXTNUPSZFCCQPL-SCSAIBSYSA-N 0 3 222.235 2.498 10 0 BEAEHN CNc1cccc([C@H]2CN(C(C)C)CCN2)c1 ZINC000616631836 351108969 /nfs/dbraw/zinc/10/89/69/351108969.db2.gz GKKFXRRHRNVIFU-CQSZACIVSA-N 0 3 233.359 2.083 10 0 BEAEHN CCN1CCN[C@@H](c2cc3ccccc3cn2)C1 ZINC000616631867 351109158 /nfs/dbraw/zinc/10/91/58/351109158.db2.gz HQRQYWDGBOKVHH-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN COc1ccc([C@@H]2CN(C(C)(C)C)CCN2)cc1 ZINC000616632580 351112120 /nfs/dbraw/zinc/11/21/20/351112120.db2.gz MLGQXCYFVFTUGY-AWEZNQCLSA-N 0 3 248.370 2.440 10 0 BEAEHN CN1CCCCC[C@@H]1c1cccnc1N ZINC000616622529 351087008 /nfs/dbraw/zinc/08/70/08/351087008.db2.gz DGOWEERXTWHNQF-LLVKDONJSA-N 0 3 205.305 2.211 10 0 BEAEHN OCCN1CCC[C@H](c2ccccc2F)CC1 ZINC000616628846 351099377 /nfs/dbraw/zinc/09/93/77/351099377.db2.gz QBYIULLNRXZWAC-LBPRGKRZSA-N 0 3 237.318 2.388 10 0 BEAEHN CNc1ccc([C@@H]2COCCCN2C)cc1 ZINC000616650131 351173365 /nfs/dbraw/zinc/17/33/65/351173365.db2.gz XYYRCWOYDYYGQV-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2ncccn2)C1 ZINC000616648790 351177082 /nfs/dbraw/zinc/17/70/82/351177082.db2.gz CGIFAORRUAYHSV-NSHDSACASA-N 0 3 235.331 2.039 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2ccccn2)C1 ZINC000616653440 351186987 /nfs/dbraw/zinc/18/69/87/351186987.db2.gz PCTAAQLMLQYFKF-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CCN1CCNC[C@@H]1c1cc2ccccc2cn1 ZINC000616638349 351138823 /nfs/dbraw/zinc/13/88/23/351138823.db2.gz WRIYDXCEHDZQHP-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CCOC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000616672239 351234998 /nfs/dbraw/zinc/23/49/98/351234998.db2.gz YKCCKADKZQFJPA-GFCCVEGCSA-N 0 3 248.326 2.136 10 0 BEAEHN OCc1ccccc1[C@@H]1NCCc2ccccc21 ZINC000616675349 351242959 /nfs/dbraw/zinc/24/29/59/351242959.db2.gz CHZKLIDINMFLRI-MRXNPFEDSA-N 0 3 239.318 2.414 10 0 BEAEHN CN1CCOCC[C@H]1c1ccc2nnccc2c1 ZINC000616656844 351197603 /nfs/dbraw/zinc/19/76/03/351197603.db2.gz IFMJRECRWJBSIB-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCOC[C@H](c2ccc3ccncc3c2)C1 ZINC000616657339 351197974 /nfs/dbraw/zinc/19/79/74/351197974.db2.gz FCXDGOPOGJYTLG-OAHLLOKOSA-N 0 3 242.322 2.280 10 0 BEAEHN CN1CCOCC[C@@H]1c1cccc2ccnnc21 ZINC000616656253 351202499 /nfs/dbraw/zinc/20/24/99/351202499.db2.gz RGHOLDSVFXBPCP-CYBMUJFWSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)(C)N1CCOCC[C@@H]1c1ccnc(N)c1 ZINC000616656173 351202522 /nfs/dbraw/zinc/20/25/22/351202522.db2.gz PRUMZWZRKOYDNM-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN CCN1CCOC[C@H](c2ccccc2NC)C1 ZINC000616659193 351206377 /nfs/dbraw/zinc/20/63/77/351206377.db2.gz HRNILSPDRSLFFE-GFCCVEGCSA-N 0 3 234.343 2.164 10 0 BEAEHN CCN1CCOC[C@@H](c2cccc(NC)c2)C1 ZINC000616659789 351207995 /nfs/dbraw/zinc/20/79/95/351207995.db2.gz FQZBJTPFPUGIHW-ZDUSSCGKSA-N 0 3 234.343 2.164 10 0 BEAEHN CC(=O)Nc1ccc([C@@H]2CCOCCN2C)cc1 ZINC000616659653 351208360 /nfs/dbraw/zinc/20/83/60/351208360.db2.gz VYGPSBKIGWDUTA-AWEZNQCLSA-N 0 3 248.326 2.038 10 0 BEAEHN CC(C)(C)N1CCOC[C@@H](c2cccnc2)C1 ZINC000616661568 351210559 /nfs/dbraw/zinc/21/05/59/351210559.db2.gz ULSNIUVBHKSXMG-ZDUSSCGKSA-N 0 3 234.343 2.296 10 0 BEAEHN CCN1CCOC[C@H](c2ccc(F)cc2)C1 ZINC000616661619 351210625 /nfs/dbraw/zinc/21/06/25/351210625.db2.gz VNUPUPSWGHQKCJ-GFCCVEGCSA-N 0 3 223.291 2.261 10 0 BEAEHN CCN1CCOC[C@H](c2ccccc2OC)C1 ZINC000616661986 351212587 /nfs/dbraw/zinc/21/25/87/351212587.db2.gz XQTWEJZQYUDAFC-GFCCVEGCSA-N 0 3 235.327 2.131 10 0 BEAEHN F[C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616663599 351216345 /nfs/dbraw/zinc/21/63/45/351216345.db2.gz UHXXYKYVWCCDPQ-GFCCVEGCSA-N 0 3 209.264 2.205 10 0 BEAEHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC=O ZINC000306886153 351293046 /nfs/dbraw/zinc/29/30/46/351293046.db2.gz SECUSNFUYIWMDL-AWEZNQCLSA-N 0 3 246.354 2.033 10 0 BEAEHN C1CN[C@H]([C@H]2CCCSC2)SC1 ZINC000306901744 351316753 /nfs/dbraw/zinc/31/67/53/351316753.db2.gz OSWCWOJSDJKULD-IUCAKERBSA-N 0 3 203.376 2.182 10 0 BEAEHN Nc1cc(CN2CCCCC2)c2c(c1)COCO2 ZINC000034964103 351367811 /nfs/dbraw/zinc/36/78/11/351367811.db2.gz GKQSACHEVUNZRO-UHFFFAOYSA-N 0 3 248.326 2.121 10 0 BEAEHN Cc1ccc([C@H](N)[C@@H]2CCCO2)cc1C ZINC000034972091 351369388 /nfs/dbraw/zinc/36/93/88/351369388.db2.gz QMAXSVJJWZFTPS-STQMWFEESA-N 0 3 205.301 2.482 10 0 BEAEHN Cc1ccc([C@H](N)[C@H]2CCCO2)cc1C ZINC000034972094 351369393 /nfs/dbraw/zinc/36/93/93/351369393.db2.gz QMAXSVJJWZFTPS-OLZOCXBDSA-N 0 3 205.301 2.482 10 0 BEAEHN C[C@@]1([C@@H](N)c2ccns2)CCCS1 ZINC000306981184 351400896 /nfs/dbraw/zinc/40/08/96/351400896.db2.gz HLUWDBDYYSRBEN-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN NC[C@@H](F)Cc1ccsc1Br ZINC000307009102 351416447 /nfs/dbraw/zinc/41/64/47/351416447.db2.gz HMKDCYXSHYGZMP-LURJTMIESA-N 0 3 238.125 2.350 10 0 BEAEHN NCc1cc(F)cc(OC(F)F)c1F ZINC000307156828 351507514 /nfs/dbraw/zinc/50/75/14/351507514.db2.gz OPVISMAGDPOVFR-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN Brc1cc(CNC2CC2)co1 ZINC000307126703 351491734 /nfs/dbraw/zinc/49/17/34/351491734.db2.gz IORHYIFXUSJUTM-UHFFFAOYSA-N 0 3 216.078 2.294 10 0 BEAEHN Cc1csc([C@@H](N)[C@@H]2CCSC2)n1 ZINC000224627320 363065049 /nfs/dbraw/zinc/06/50/49/363065049.db2.gz LBASYUPBUXXJQW-SFYZADRCSA-N 0 3 214.359 2.204 10 0 BEAEHN CC1(C)SC[C@H]1NCc1sccc1N ZINC000307169692 351544978 /nfs/dbraw/zinc/54/49/78/351544978.db2.gz YTLOVRWEQJKACB-SECBINFHSA-N 0 3 228.386 2.314 10 0 BEAEHN Cc1nc([C@H](C)N)cn1Cc1ccccc1 ZINC000307290321 351859214 /nfs/dbraw/zinc/85/92/14/351859214.db2.gz BKVVGRBHLZQTFI-JTQLQIEISA-N 0 3 215.300 2.260 10 0 BEAEHN CC(C)(N)c1ncc(Br)cc1F ZINC000307307835 351941495 /nfs/dbraw/zinc/94/14/95/351941495.db2.gz NIFWDGAVCADUQA-UHFFFAOYSA-N 0 3 233.084 2.177 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](N)CCC(C)C ZINC000638036172 351917057 /nfs/dbraw/zinc/91/70/57/351917057.db2.gz AWVBUEDZBICPIK-UTUOFQBUSA-N 0 3 226.364 2.055 10 0 BEAEHN Cc1nc(C2CSC2)sc1[C@@H](C)N ZINC000404745723 352024646 /nfs/dbraw/zinc/02/46/46/352024646.db2.gz ZLABRQPVVAQUQX-RXMQYKEDSA-N 0 3 214.359 2.302 10 0 BEAEHN COc1cc([C@H](N)[C@@H]2CC2(C)C)sn1 ZINC000307339617 352081232 /nfs/dbraw/zinc/08/12/32/352081232.db2.gz SAJFIJSIWSJYMQ-IMTBSYHQSA-N 0 3 212.318 2.198 10 0 BEAEHN CC1(C)CS[C@@H]([C@@H]2CCSC2)N1 ZINC000224676153 363117533 /nfs/dbraw/zinc/11/75/33/363117533.db2.gz XUVDSWDTMMMHHZ-SFYZADRCSA-N 0 3 203.376 2.181 10 0 BEAEHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC#N ZINC000307389793 352546357 /nfs/dbraw/zinc/54/63/57/352546357.db2.gz REVFNKVXSJVMRX-CQSZACIVSA-N 0 3 243.354 2.358 10 0 BEAEHN CC[C@@H]1CS[C@@]2(CCCC[C@H]2OC)N1 ZINC000300214235 352556850 /nfs/dbraw/zinc/55/68/50/352556850.db2.gz NHZRZSIMVRSLDK-GMTAPVOTSA-N 0 3 215.362 2.387 10 0 BEAEHN Cc1ccc(C2=NCCN2)c(Br)c1 ZINC000307581044 352660760 /nfs/dbraw/zinc/66/07/60/352660760.db2.gz ZXSSCOPFZUCBSO-UHFFFAOYSA-N 0 3 239.116 2.107 10 0 BEAEHN c1cc2c(s1)CCN[C@]21CCSC1 ZINC000307503701 352630481 /nfs/dbraw/zinc/63/04/81/352630481.db2.gz XKCHPTBYWVAWMJ-JTQLQIEISA-N 0 3 211.355 2.226 10 0 BEAEHN CC[C@@H]1CS[C@@]2(CSC[C@@H]2C)N1 ZINC000307525925 352634876 /nfs/dbraw/zinc/63/48/76/352634876.db2.gz HEYJKZZDZKZWKA-DJLDLDEBSA-N 0 3 203.376 2.181 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(O)c1 ZINC000638756680 352687422 /nfs/dbraw/zinc/68/74/22/352687422.db2.gz JVCXFZGWMORKMR-JOYOIKCWSA-N 0 3 236.315 2.013 10 0 BEAEHN Cc1cc(O)cc(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000638757122 352687967 /nfs/dbraw/zinc/68/79/67/352687967.db2.gz OKOAWIODJKNRJW-AWEZNQCLSA-N 0 3 248.326 2.171 10 0 BEAEHN C[C@@H](NCC[C@@H]1CCCO1)c1ccc(F)cn1 ZINC000092196198 538106488 /nfs/dbraw/zinc/10/64/88/538106488.db2.gz SJQZVPFSTICDIS-PWSUYJOCSA-N 0 3 238.306 2.440 10 0 BEAEHN Cc1csc(CN[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000306371670 353007474 /nfs/dbraw/zinc/00/74/74/353007474.db2.gz HCWHRBFLYDFREL-KXUCPTDWSA-N 0 3 208.330 2.340 10 0 BEAEHN CCC[C@@H](N)C(=O)NCCC(C)(C)CC ZINC000638865820 353039746 /nfs/dbraw/zinc/03/97/46/353039746.db2.gz KNRZBNUSCIUZNM-SNVBAGLBSA-N 0 3 214.353 2.056 10 0 BEAEHN Cc1cc([C@H](N)[C@@H]2OCC[C@H]2C)cs1 ZINC000129491154 353139140 /nfs/dbraw/zinc/13/91/40/353139140.db2.gz ZEUPLSQHQUUIRV-PPKCKEKNSA-N 0 3 211.330 2.481 10 0 BEAEHN CC(=O)CCN1CCC[C@H](c2nccs2)C1 ZINC000103473083 188082302 /nfs/dbraw/zinc/08/23/02/188082302.db2.gz LIBHCEZKEZRGSF-NSHDSACASA-N 0 3 238.356 2.302 10 0 BEAEHN Cc1nn(C(C)C)cc1CN[C@@H]1C[C@@H]1C ZINC000281447873 188095562 /nfs/dbraw/zinc/09/55/62/188095562.db2.gz SPJUJMBVHFLUOC-JOYOIKCWSA-N 0 3 207.321 2.270 10 0 BEAEHN CN1CCC(O)(c2cnc3ccccc3c2)CC1 ZINC000037761327 188099014 /nfs/dbraw/zinc/09/90/14/188099014.db2.gz DMACQZNTADQBCK-UHFFFAOYSA-N 0 3 242.322 2.148 10 0 BEAEHN CC(C)(C)c1c[nH]c([C@@](C)(N)C2CC2)n1 ZINC000037479323 188107530 /nfs/dbraw/zinc/10/75/30/188107530.db2.gz UGTOOXGNWLMUKQ-LBPRGKRZSA-N 0 3 207.321 2.291 10 0 BEAEHN CCN(C)c1nc2ccccc2cc1CN ZINC000037079106 188113233 /nfs/dbraw/zinc/11/32/33/188113233.db2.gz GJVIAHCIHSSDIW-UHFFFAOYSA-N 0 3 215.300 2.150 10 0 BEAEHN CC(C)[C@H](N)c1nc(-c2cccnc2)c[nH]1 ZINC000036877067 188113553 /nfs/dbraw/zinc/11/35/53/188113553.db2.gz QFEPBSQLELHUBV-NSHDSACASA-N 0 3 216.288 2.128 10 0 BEAEHN Cc1ccc(C)c(CC2(O)CCN(C)CC2)c1 ZINC000049257513 188125119 /nfs/dbraw/zinc/12/51/19/188125119.db2.gz IOKBYZOIAMMGDK-UHFFFAOYSA-N 0 3 233.355 2.303 10 0 BEAEHN CCn1c2ccc(OC)cc2nc1[C@H](C)N ZINC000074297662 188132093 /nfs/dbraw/zinc/13/20/93/188132093.db2.gz RHLVFJIHTRGRPB-QMMMGPOBSA-N 0 3 219.288 2.085 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1csc(C)c1 ZINC000638995240 353236012 /nfs/dbraw/zinc/23/60/12/353236012.db2.gz YWUFIEZDEUJONU-GMSGAONNSA-N 0 3 226.345 2.368 10 0 BEAEHN CNCc1cc(COC)c(Cl)s1 ZINC000108378033 188161233 /nfs/dbraw/zinc/16/12/33/188161233.db2.gz XYBRTUBKXPBPLI-UHFFFAOYSA-N 0 3 205.710 2.267 10 0 BEAEHN CC[C@@H]1CCCCN1c1ncc(CN)s1 ZINC000054895071 188178035 /nfs/dbraw/zinc/17/80/35/188178035.db2.gz GIVWQYHKBKPBSF-SECBINFHSA-N 0 3 225.361 2.371 10 0 BEAEHN CC(=O)N1CCN([C@H]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000336467258 188229713 /nfs/dbraw/zinc/22/97/13/188229713.db2.gz VREXJRVXOAHYHS-YPMHNXCESA-N 0 3 238.375 2.118 10 0 BEAEHN CC[C@H]1C[C@]1(N)c1ncccc1Br ZINC000133348729 353413689 /nfs/dbraw/zinc/41/36/89/353413689.db2.gz NZSFFWIJHCSJKT-OIBJUYFYSA-N 0 3 241.132 2.428 10 0 BEAEHN C[C@@H]1C[C@H]1N[C@@H]1CCCc2cccnc21 ZINC000085789614 491053048 /nfs/dbraw/zinc/05/30/48/491053048.db2.gz NFINELIEMYHCAE-YUSALJHKSA-N 0 3 202.301 2.457 10 0 BEAEHN CN(Cc1cccs1)[C@H]1CCC[C@H]1O ZINC000252393008 363234853 /nfs/dbraw/zinc/23/48/53/363234853.db2.gz XHDOPRAORYBGNS-WDEREUQCSA-N 0 3 211.330 2.093 10 0 BEAEHN CNCc1c(C)cccc1Br ZINC000165853655 353753280 /nfs/dbraw/zinc/75/32/80/353753280.db2.gz NLTXJFRRFDJKCQ-UHFFFAOYSA-N 0 3 214.106 2.477 10 0 BEAEHN Fc1ccccc1CNC1=NCCS1 ZINC000013858494 181011514 /nfs/dbraw/zinc/01/15/14/181011514.db2.gz CXBXXHKJBAJCMA-UHFFFAOYSA-N 0 3 210.277 2.018 10 0 BEAEHN CSC1(CN2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000334711627 354508176 /nfs/dbraw/zinc/50/81/76/354508176.db2.gz UREPMVKSLVTOIN-QWRGUYRKSA-N 0 3 229.389 2.381 10 0 BEAEHN CCC(C)(C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000335202665 355036956 /nfs/dbraw/zinc/03/69/56/355036956.db2.gz ILUWZRMVNJGAIS-RYUDHWBXSA-N 0 3 238.375 2.118 10 0 BEAEHN CSCCCCNCc1ccccn1 ZINC000124931535 324628204 /nfs/dbraw/zinc/62/82/04/324628204.db2.gz LJYNUVFAPCKRPO-UHFFFAOYSA-N 0 3 210.346 2.314 10 0 BEAEHN N=C(N)c1ccc(-c2ccc(F)cc2)cn1 ZINC000071186721 181193543 /nfs/dbraw/zinc/19/35/43/181193543.db2.gz LQIOMGBRLNJAJH-UHFFFAOYSA-N 0 3 215.231 2.172 10 0 BEAEHN N=C(N)c1cc(OC2CCCCC2)ccn1 ZINC000061814498 181193993 /nfs/dbraw/zinc/19/39/93/181193993.db2.gz ZPTYNGQZMGNXQO-UHFFFAOYSA-N 0 3 219.288 2.077 10 0 BEAEHN N=C(N)c1cc(Oc2ccccc2F)ccn1 ZINC000061814449 181193684 /nfs/dbraw/zinc/19/36/84/181193684.db2.gz HNQWOGQSYVXJLU-UHFFFAOYSA-N 0 3 231.230 2.297 10 0 BEAEHN N=C(N)c1cccnc1Oc1cccc(F)c1 ZINC000019511732 181196325 /nfs/dbraw/zinc/19/63/25/181196325.db2.gz BTJQTUPLFUYVIU-UHFFFAOYSA-N 0 3 231.230 2.297 10 0 BEAEHN N=C(N)c1cccc(OC2CCCCC2)n1 ZINC000071186723 181195882 /nfs/dbraw/zinc/19/58/82/181195882.db2.gz BOTLEPWJURLFGF-UHFFFAOYSA-N 0 3 219.288 2.077 10 0 BEAEHN CC(C)(C)OC(=O)CCN1C[C@@H]2CCC[C@@H]21 ZINC000350731496 355751647 /nfs/dbraw/zinc/75/16/47/355751647.db2.gz ATWLDDKCAMWLGD-QWRGUYRKSA-N 0 3 225.332 2.203 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCN(CC)C2)o1 ZINC000389197265 355838120 /nfs/dbraw/zinc/83/81/20/355838120.db2.gz XOXVPMPXOIBMCD-LLVKDONJSA-N 0 3 222.332 2.026 10 0 BEAEHN CC(C)c1ccc([C@H](C)NCCC(N)=O)cc1 ZINC000035133417 355844291 /nfs/dbraw/zinc/84/42/91/355844291.db2.gz BXVVUIPQFSKTLA-NSHDSACASA-N 0 3 234.343 2.336 10 0 BEAEHN NC(=O)C1(NCc2ccccc2)CCCCCC1 ZINC000037941266 181215862 /nfs/dbraw/zinc/21/58/62/181215862.db2.gz AXKDPLMPPJIYOP-UHFFFAOYSA-N 0 3 246.354 2.355 10 0 BEAEHN NC(=O)CCC1=CCN(Cc2ccccc2)CC1 ZINC000072266108 181219668 /nfs/dbraw/zinc/21/96/68/181219668.db2.gz YOSWRUPQUUGBRJ-UHFFFAOYSA-N 0 3 244.338 2.084 10 0 BEAEHN C[C@@H]1CN[C@@H]([C@H]2CCSC2)SC1 ZINC000300209112 358499771 /nfs/dbraw/zinc/49/97/71/358499771.db2.gz FVLHYXLDYYZLQJ-HRDYMLBCSA-N 0 3 203.376 2.038 10 0 BEAEHN CC(C)=CCN[C@@H]1Cc2ccccc2[C@@H]1O ZINC000192314392 355978927 /nfs/dbraw/zinc/97/89/27/355978927.db2.gz KIYNDZKXPIROGP-KGLIPLIRSA-N 0 3 217.312 2.201 10 0 BEAEHN C[C@H](C(=O)Nc1cccc2c1CNCC2)C1CC1 ZINC000167366169 355985854 /nfs/dbraw/zinc/98/58/54/355985854.db2.gz UYIBSVIKURSUPW-JTQLQIEISA-N 0 3 244.338 2.317 10 0 BEAEHN CCN1CC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000389341856 355972777 /nfs/dbraw/zinc/97/27/77/355972777.db2.gz JITWQALHNXAEGF-LLVKDONJSA-N 0 3 242.326 2.136 10 0 BEAEHN O=C1OC(C(F)(F)F)N=C1Cc1ccccc1 ZINC000142071689 356468684 /nfs/dbraw/zinc/46/86/84/356468684.db2.gz ZAOAMTIDKBRQDW-JTQLQIEISA-N 0 3 243.184 2.115 10 0 BEAEHN C[C@@H]1C[C@H](CN2CC(C(F)(F)F)C2)CCO1 ZINC000336188919 134122368 /nfs/dbraw/zinc/12/23/68/134122368.db2.gz LOEKFGGFBOOCCH-RKDXNWHRSA-N 0 3 237.265 2.296 10 0 BEAEHN CCCNCc1nc(CN2CCCC2)cs1 ZINC000052377259 538470461 /nfs/dbraw/zinc/47/04/61/538470461.db2.gz MPYBSCCTJOPODH-UHFFFAOYSA-N 0 3 239.388 2.239 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1nnc(C(C)(C)C)[nH]1 ZINC000675061022 538487380 /nfs/dbraw/zinc/48/73/80/538487380.db2.gz WFHVNYOCBMJLJC-HTQZYQBOSA-N 0 3 210.325 2.148 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1n[nH]c(C(C)(C)C)n1 ZINC000675061022 538487381 /nfs/dbraw/zinc/48/73/81/538487381.db2.gz WFHVNYOCBMJLJC-HTQZYQBOSA-N 0 3 210.325 2.148 10 0 BEAEHN Cc1cn2c(n1)[C@@H](CC1CC1)NCCC2 ZINC000675067365 538493379 /nfs/dbraw/zinc/49/33/79/538493379.db2.gz BDQIKWLFXXGSQO-LLVKDONJSA-N 0 3 205.305 2.026 10 0 BEAEHN CCCc1cn2c(n1)[C@H](CCF)NCCC2 ZINC000675068737 538496787 /nfs/dbraw/zinc/49/67/87/538496787.db2.gz SEWIINJKSDECFP-NSHDSACASA-N 0 3 225.311 2.230 10 0 BEAEHN CC[C@@H](C)N=[S@](=O)(NC)c1ccc(N)cc1 ZINC000675073721 538505812 /nfs/dbraw/zinc/50/58/12/538505812.db2.gz AKDBKTAWCDUCCY-JDNHERCYSA-N 0 3 241.360 2.029 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)C(C)C ZINC000167766599 134153976 /nfs/dbraw/zinc/15/39/76/134153976.db2.gz LQVXGMSKJZTRLH-WDEREUQCSA-N 0 3 236.363 2.310 10 0 BEAEHN CCC[C@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1N ZINC000675080905 538521175 /nfs/dbraw/zinc/52/11/75/538521175.db2.gz XUGZTXKKICQJRW-BPNCWPANSA-N 0 3 246.354 2.164 10 0 BEAEHN CCCCC[C@H]1NCCc2ncn(C)c21 ZINC000220260929 538539656 /nfs/dbraw/zinc/53/96/56/538539656.db2.gz HDEXBTXJUJQTSS-SNVBAGLBSA-N 0 3 207.321 2.187 10 0 BEAEHN CCC[C@H](C)CN1CCN(CCOC)[C@H](C)C1 ZINC000180086271 366373402 /nfs/dbraw/zinc/37/34/02/366373402.db2.gz LANBPBHNSJPDPC-UONOGXRCSA-N 0 3 242.407 2.075 10 0 BEAEHN CO[C@@H](CN)c1cc(F)cc(Cl)c1 ZINC000168345146 356896776 /nfs/dbraw/zinc/89/67/76/356896776.db2.gz ARRJYTUTWSUNKA-VIFPVBQESA-N 0 3 203.644 2.125 10 0 BEAEHN COc1ccc2c(c1F)CSC[C@H]2N ZINC000160548227 357050461 /nfs/dbraw/zinc/05/04/61/357050461.db2.gz HJUIYMJDHJILPI-MRVPVSSYSA-N 0 3 213.277 2.081 10 0 BEAEHN C1CC1NC1=NCC2(CCCC2)CS1 ZINC000168720088 357195265 /nfs/dbraw/zinc/19/52/65/357195265.db2.gz LPYWRNQSUMAXEC-UHFFFAOYSA-N 0 3 210.346 2.402 10 0 BEAEHN N[C@H]1c2cc(Cl)cc(Cl)c2CC[C@H]1O ZINC000039941470 491110709 /nfs/dbraw/zinc/11/07/09/491110709.db2.gz IKXGQSRJGUAIKS-ZJUUUORDSA-N 0 3 232.110 2.300 10 0 BEAEHN CC/C=C\CCN1CCCC[C@]1(C)C(N)=O ZINC000588477417 538851587 /nfs/dbraw/zinc/85/15/87/538851587.db2.gz IDLWABNPMMAYDN-DSYXLKISSA-N 0 3 224.348 2.073 10 0 BEAEHN C[C@@H]1CC[C@H](CN2CCO[C@H]3CCCC[C@@H]32)O1 ZINC000188541510 357559216 /nfs/dbraw/zinc/55/92/16/357559216.db2.gz OLIOHSDDAJFBGD-MQYQWHSLSA-N 0 3 239.359 2.197 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1ccc(OC)nc1 ZINC000232156051 357653028 /nfs/dbraw/zinc/65/30/28/357653028.db2.gz QCUCRJCDXRSCMU-RYUDHWBXSA-N 0 3 220.316 2.368 10 0 BEAEHN CCC1(C)CCN([C@@H]2CCNC[C@H]2F)CC1 ZINC000685948677 538891383 /nfs/dbraw/zinc/89/13/83/538891383.db2.gz SVDTUHWELQOJEN-VXGBXAGGSA-N 0 3 228.355 2.199 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2NCCC(C)C ZINC000190785757 357731021 /nfs/dbraw/zinc/73/10/21/357731021.db2.gz ZEVHOEUKGVIAMB-LLVKDONJSA-N 0 3 236.363 2.311 10 0 BEAEHN CN1CCCN(CC2CCCCCC2)CC1=O ZINC000191105068 357750894 /nfs/dbraw/zinc/75/08/94/357750894.db2.gz WSRRXRWSTNTYHK-UHFFFAOYSA-N 0 3 238.375 2.121 10 0 BEAEHN Cc1ccccc1[C@@H](C)N1CCCN(C)C(=O)C1 ZINC000191104331 357750986 /nfs/dbraw/zinc/75/09/86/357750986.db2.gz JKONWBIXHACHJY-CYBMUJFWSA-N 0 3 246.354 2.220 10 0 BEAEHN CC(C)(C)NC(=O)CN(C1CC1)C1CCCC1 ZINC000103466486 358061349 /nfs/dbraw/zinc/06/13/49/358061349.db2.gz LKXHAZPCVKGHSA-UHFFFAOYSA-N 0 3 238.375 2.308 10 0 BEAEHN Cc1ccc(C)c2c1OC[C@@H]([C@H](C)N(C)C)O2 ZINC000584615053 358279491 /nfs/dbraw/zinc/27/94/91/358279491.db2.gz IOCBSRRBFCLPNI-RYUDHWBXSA-N 0 3 235.327 2.393 10 0 BEAEHN CCCC(=S)OC1CCN(C)CC1 ZINC000584610352 358273271 /nfs/dbraw/zinc/27/32/71/358273271.db2.gz CIFUCTJCPWRWJB-UHFFFAOYSA-N 0 3 201.335 2.225 10 0 BEAEHN c1cc2c(cc1C1CC1)CCN1CCNC[C@@H]21 ZINC000584625710 358294989 /nfs/dbraw/zinc/29/49/89/358294989.db2.gz QECRIJBGQOFJPN-HNNXBMFYSA-N 0 3 228.339 2.066 10 0 BEAEHN CCN(CC)C[C@H](O)c1cnc2ccccc2n1 ZINC000584630427 358300133 /nfs/dbraw/zinc/30/01/33/358300133.db2.gz XWHNXGATVHXQDL-AWEZNQCLSA-N 0 3 245.326 2.005 10 0 BEAEHN CN1CCC[C@H]([C@@H](O)c2ccccc2)C1 ZINC000584631655 358314084 /nfs/dbraw/zinc/31/40/84/358314084.db2.gz ICUIFJSALYQOQF-STQMWFEESA-N 0 3 205.301 2.062 10 0 BEAEHN Nc1ncc(-c2ccc(C(F)F)cc2)[nH]1 ZINC000584644541 358329111 /nfs/dbraw/zinc/32/91/11/358329111.db2.gz ZQDBZGAWDCLLRR-UHFFFAOYSA-N 0 3 209.199 2.427 10 0 BEAEHN Cc1[nH]c(N)nc1-c1cccc(F)c1F ZINC000584644524 358329467 /nfs/dbraw/zinc/32/94/67/358329467.db2.gz XPQFGDZWHLLMBB-UHFFFAOYSA-N 0 3 209.199 2.076 10 0 BEAEHN CCN1CCC[C@H](Nc2cc(C)ccn2)C1 ZINC000043561577 358539940 /nfs/dbraw/zinc/53/99/40/358539940.db2.gz YHSJDRKIGFCHLR-LBPRGKRZSA-N 0 3 219.332 2.286 10 0 BEAEHN CCN1CCC[C@@H](Nc2cc(C)ccn2)C1 ZINC000043561578 358540248 /nfs/dbraw/zinc/54/02/48/358540248.db2.gz YHSJDRKIGFCHLR-GFCCVEGCSA-N 0 3 219.332 2.286 10 0 BEAEHN COc1cc([C@H](C)NCC[C@H](C)O)ccc1F ZINC000212793420 358622218 /nfs/dbraw/zinc/62/22/18/358622218.db2.gz JBWPAYCQTSDOLQ-UWVGGRQHSA-N 0 3 241.306 2.256 10 0 BEAEHN CO[C@H](C)[C@@H](C)N[C@H](CO)c1sccc1C ZINC000130457607 358626793 /nfs/dbraw/zinc/62/67/93/358626793.db2.gz RBMZQQWPQHKDCD-GMTAPVOTSA-N 0 3 243.372 2.103 10 0 BEAEHN C[C@H](NCC1(CCO)CCC1)c1ccco1 ZINC000130987893 358655591 /nfs/dbraw/zinc/65/55/91/358655591.db2.gz IZZGGMTYBSPTDU-NSHDSACASA-N 0 3 223.316 2.483 10 0 BEAEHN O=C1NCCC[C@@H]1N[C@@H](c1ccccc1)C1CC1 ZINC000050395479 358726612 /nfs/dbraw/zinc/72/66/12/358726612.db2.gz JCZVTTPZIVTYCM-KBPBESRZSA-N 0 3 244.338 2.006 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CCCNC2=O)cc1C ZINC000050394558 358726686 /nfs/dbraw/zinc/72/66/86/358726686.db2.gz JQBRJQMSLVJHLI-GXTWGEPZSA-N 0 3 246.354 2.233 10 0 BEAEHN O=C1NCCC[C@H]1N[C@@H](c1ccccc1)C1CC1 ZINC000050395477 358726717 /nfs/dbraw/zinc/72/67/17/358726717.db2.gz JCZVTTPZIVTYCM-KGLIPLIRSA-N 0 3 244.338 2.006 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CCCNC2=O)c(C)c1 ZINC000050394362 358726739 /nfs/dbraw/zinc/72/67/39/358726739.db2.gz GPNSLEIWCOHGAM-GXTWGEPZSA-N 0 3 246.354 2.233 10 0 BEAEHN COc1cccc(F)c1[C@@H](C)NCC[C@@H](C)O ZINC000135146270 358821948 /nfs/dbraw/zinc/82/19/48/358821948.db2.gz VIAAQOOLMWWWGB-NXEZZACHSA-N 0 3 241.306 2.256 10 0 BEAEHN CCOC[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000133991183 358774974 /nfs/dbraw/zinc/77/49/74/358774974.db2.gz KMTKUWKINMGDLA-UWVGGRQHSA-N 0 3 226.295 2.296 10 0 BEAEHN Cc1noc(C)c1CN1CCC[C@H]1CCCO ZINC000052762770 358793176 /nfs/dbraw/zinc/79/31/76/358793176.db2.gz UIAYBNYBBXWZQE-LBPRGKRZSA-N 0 3 238.331 2.028 10 0 BEAEHN Cc1ccccc1CCNCc1nccn1C ZINC000057598801 358905497 /nfs/dbraw/zinc/90/54/97/358905497.db2.gz PHLCDVTUOPIMKT-UHFFFAOYSA-N 0 3 229.327 2.061 10 0 BEAEHN OCCN1CCCC[C@@H]1c1cccc(F)c1 ZINC000224191406 358952094 /nfs/dbraw/zinc/95/20/94/358952094.db2.gz OKDHAVBYMIFSCA-CYBMUJFWSA-N 0 3 223.291 2.345 10 0 BEAEHN CS[C@H]1CCCC[C@@H]1NC1=NCCS1 ZINC000300385324 358981023 /nfs/dbraw/zinc/98/10/23/358981023.db2.gz KJPWBMMTHAZRID-IUCAKERBSA-N 0 3 230.402 2.353 10 0 BEAEHN C[C@@H]1CSC(N[C@H]2CCC(F)(F)C2)=N1 ZINC000306172341 358981717 /nfs/dbraw/zinc/98/17/17/358981717.db2.gz LFFGDIONWPEWJI-RQJHMYQMSA-N 0 3 220.288 2.255 10 0 BEAEHN Cc1cc(Br)cnc1C1(N)CCC1 ZINC000306174071 358982839 /nfs/dbraw/zinc/98/28/39/358982839.db2.gz UGOLMGJUFFQCLD-UHFFFAOYSA-N 0 3 241.132 2.490 10 0 BEAEHN C[C@@H]1CCN(Cc2cc[nH]c2)C[C@H]1n1ccnc1 ZINC000246435456 359084270 /nfs/dbraw/zinc/08/42/70/359084270.db2.gz NDKNSLMEBJESOY-TZMCWYRMSA-N 0 3 244.342 2.294 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NC[C@H]1CCCOC1 ZINC000070528883 359058819 /nfs/dbraw/zinc/05/88/19/359058819.db2.gz JVXUBWCXXSGCJC-DGCLKSJQSA-N 0 3 233.311 2.136 10 0 BEAEHN O=C1OCC[C@@H]1CCN1CCC[C@H]1c1ccco1 ZINC000247009010 359182370 /nfs/dbraw/zinc/18/23/70/359182370.db2.gz RUXWAEPQWFTMFY-RYUDHWBXSA-N 0 3 249.310 2.370 10 0 BEAEHN CCN1CCC[C@H](N[C@H](C)c2nccs2)C1 ZINC000247078352 359192838 /nfs/dbraw/zinc/19/28/38/359192838.db2.gz UBMZEMYVHZNBEY-MNOVXSKESA-N 0 3 239.388 2.278 10 0 BEAEHN CCC[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247527714 359231506 /nfs/dbraw/zinc/23/15/06/359231506.db2.gz XGBNUFBLPAXUHJ-XQQFMLRXSA-N 0 3 238.375 2.118 10 0 BEAEHN Cc1cnn([C@H]2CCCN(C[C@H]3CCCO3)C2)c1 ZINC000247372372 359216624 /nfs/dbraw/zinc/21/66/24/359216624.db2.gz UUFJOKAYXUBXFD-UONOGXRCSA-N 0 3 249.358 2.007 10 0 BEAEHN N[C@H](CC1OCCO1)c1ccsc1Cl ZINC000306210522 359303107 /nfs/dbraw/zinc/30/31/07/359303107.db2.gz UIHFBZUKVJOVBS-SSDOTTSWSA-N 0 3 233.720 2.164 10 0 BEAEHN Cc1csc2c1ncnc2C(C)(C)N ZINC000306214074 359314904 /nfs/dbraw/zinc/31/49/04/359314904.db2.gz YBAYDRVVQXQQCZ-UHFFFAOYSA-N 0 3 207.302 2.194 10 0 BEAEHN C1=C[C@H](N2CCN3CCCC[C@@H]3C2)CCC1 ZINC000248368770 359271410 /nfs/dbraw/zinc/27/14/10/359271410.db2.gz VOBUJXFOKVJJEZ-UONOGXRCSA-N 0 3 220.360 2.265 10 0 BEAEHN C[C@H]1OCC[C@@H]1NCC1(F)CCCC1 ZINC000306232644 359388984 /nfs/dbraw/zinc/38/89/84/359388984.db2.gz DUILJOBAVPRAGE-ZJUUUORDSA-N 0 3 201.285 2.036 10 0 BEAEHN C[C@@H]1OCC[C@H]1NCC1(F)CCCC1 ZINC000306232640 359389029 /nfs/dbraw/zinc/38/90/29/359389029.db2.gz DUILJOBAVPRAGE-VHSXEESVSA-N 0 3 201.285 2.036 10 0 BEAEHN FC(F)(F)[C@@H]1CCC[C@H]1NC1CSC1 ZINC000306268540 359490158 /nfs/dbraw/zinc/49/01/58/359490158.db2.gz KARHIILJFOJMIE-HTQZYQBOSA-N 0 3 225.279 2.422 10 0 BEAEHN N[C@H](c1ccsn1)[C@@H]1CCCS1 ZINC000306338421 359639026 /nfs/dbraw/zinc/63/90/26/359639026.db2.gz VVFWPSQHXJRUSY-JGVFFNPUSA-N 0 3 200.332 2.039 10 0 BEAEHN CC(C)[C@@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000087616897 359921188 /nfs/dbraw/zinc/92/11/88/359921188.db2.gz DYCKFETVYLPGLX-BXUZGUMPSA-N 0 3 246.354 2.034 10 0 BEAEHN CSC1([C@@H]2NC[C@@H](C)CS2)CC1 ZINC000306446621 360010155 /nfs/dbraw/zinc/01/01/55/360010155.db2.gz BOXSHDNABCMLLV-HTQZYQBOSA-N 0 3 203.376 2.181 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2NC(C1CC1)C1CC1 ZINC000090227560 360066867 /nfs/dbraw/zinc/06/68/67/360066867.db2.gz WHVBQFHPMVYXSY-GFCCVEGCSA-N 0 3 246.358 2.200 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)C(C)C ZINC000090227533 360067508 /nfs/dbraw/zinc/06/75/08/360067508.db2.gz UQEDXUHMBMSQKG-GXSJLCMTSA-N 0 3 222.336 2.056 10 0 BEAEHN C[C@H]1C[C@@]2(CN1Cc1ccccc1)NCCS2 ZINC000306485961 360162252 /nfs/dbraw/zinc/16/22/52/360162252.db2.gz OGBQLBKULWLTOK-GXTWGEPZSA-N 0 3 248.395 2.314 10 0 BEAEHN C[C@@H]1C[C@@]2(CN1Cc1ccccc1)NCCS2 ZINC000306486371 360163672 /nfs/dbraw/zinc/16/36/72/360163672.db2.gz OGBQLBKULWLTOK-TZMCWYRMSA-N 0 3 248.395 2.314 10 0 BEAEHN CC[C@H](C)CN[C@@H]1CCCn2nc(C)nc21 ZINC000093080279 360214939 /nfs/dbraw/zinc/21/49/39/360214939.db2.gz FCNJNVZBNKFBFO-GXSJLCMTSA-N 0 3 222.336 2.057 10 0 BEAEHN C[C@]1(F)CCN([C@@H]2CCCSC2)C1 ZINC000306517444 360344744 /nfs/dbraw/zinc/34/47/44/360344744.db2.gz BBEGOAHSDRRLSR-ZJUUUORDSA-N 0 3 203.326 2.316 10 0 BEAEHN COc1cc([C@@H]2CCCCCN2)sn1 ZINC000306534379 360396941 /nfs/dbraw/zinc/39/69/41/360396941.db2.gz IQNAYBSKJGPQEU-QMMMGPOBSA-N 0 3 212.318 2.356 10 0 BEAEHN C[C@H](c1cccs1)n1cnc(CN)c1 ZINC000300735728 360423455 /nfs/dbraw/zinc/42/34/55/360423455.db2.gz LCGFNHWUWKGGJJ-MRVPVSSYSA-N 0 3 207.302 2.013 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1ccc(Br)nc1 ZINC000306551425 360424628 /nfs/dbraw/zinc/42/46/28/360424628.db2.gz AJIOOVNHBRHWHD-VXNVDRBHSA-N 0 3 241.132 2.342 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1ccc(Br)nc1 ZINC000306551422 360424702 /nfs/dbraw/zinc/42/47/02/360424702.db2.gz AJIOOVNHBRHWHD-APPZFPTMSA-N 0 3 241.132 2.342 10 0 BEAEHN CC1(C)[C@@H](c2occc2Br)[C@@H]1N ZINC000300783142 360503117 /nfs/dbraw/zinc/50/31/17/360503117.db2.gz VSBLRHNQQWOQKM-XPUUQOCRSA-N 0 3 230.105 2.493 10 0 BEAEHN Cc1ccc(CN[C@H]2CCO[C@@H]2C)c(F)c1 ZINC000631104927 360948308 /nfs/dbraw/zinc/94/83/08/360948308.db2.gz QBCIVOKJXDDPOR-MFKMUULPSA-N 0 3 223.291 2.401 10 0 BEAEHN NCc1ccc(OC(F)(F)F)nc1Cl ZINC000238682625 361178001 /nfs/dbraw/zinc/17/80/01/361178001.db2.gz RBRDLBITGLUOMV-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN CC1(C)CN([C@@H](CN)c2cccs2)C1 ZINC000306621040 361230652 /nfs/dbraw/zinc/23/06/52/361230652.db2.gz YSZQRRACVBPHMT-VIFPVBQESA-N 0 3 210.346 2.090 10 0 BEAEHN Cc1nc(C2(N)CCSCC2)sc1C ZINC000041060031 361240358 /nfs/dbraw/zinc/24/03/58/361240358.db2.gz MEATWLCTJIYCKA-UHFFFAOYSA-N 0 3 228.386 2.441 10 0 BEAEHN C[C@](N)(c1nc2c(s1)CCC2)C1CC1 ZINC000041060153 361240796 /nfs/dbraw/zinc/24/07/96/361240796.db2.gz BCQJQAOGLBNGRY-LLVKDONJSA-N 0 3 208.330 2.216 10 0 BEAEHN NC1(c2nc(-c3ccncc3)c[nH]2)CCCC1 ZINC000037616809 181335356 /nfs/dbraw/zinc/33/53/56/181335356.db2.gz COKSBSSGFSSMPT-UHFFFAOYSA-N 0 3 228.299 2.200 10 0 BEAEHN NC1(c2nc(C(F)(F)F)c[nH]2)CCCC1 ZINC000037479653 181334555 /nfs/dbraw/zinc/33/45/55/181334555.db2.gz NDQVOHZTMFJJAW-UHFFFAOYSA-N 0 3 219.210 2.157 10 0 BEAEHN Cc1nc(CN[C@@H]2CCCC[C@@H]2CO)cs1 ZINC000152322942 201196832 /nfs/dbraw/zinc/19/68/32/201196832.db2.gz ZIXNKIKPAWVXBH-ZYHUDNBSSA-N 0 3 240.372 2.092 10 0 BEAEHN CCn1ccnc1-c1ccc(CN)s1 ZINC000070601163 361584335 /nfs/dbraw/zinc/58/43/35/361584335.db2.gz AHSMQZMNOSPFPB-UHFFFAOYSA-N 0 3 207.302 2.090 10 0 BEAEHN Cc1ncc(Br)c(N)c1C ZINC000214884613 363873821 /nfs/dbraw/zinc/87/38/21/363873821.db2.gz MMTMNOXMXZDXFU-UHFFFAOYSA-N 0 3 201.067 2.043 10 0 BEAEHN C[C@@H]([C@H]1NCCc2nc[nH]c21)C(C)(C)C ZINC000400372170 541308629 /nfs/dbraw/zinc/30/86/29/541308629.db2.gz BFCJCHLLSPZVLX-WCBMZHEXSA-N 0 3 207.321 2.279 10 0 BEAEHN CN[C@H]1COc2c1ccc(Cl)c2F ZINC000130682460 364087183 /nfs/dbraw/zinc/08/71/83/364087183.db2.gz BCMQCTFHDQCAKT-ZETCQYMHSA-N 0 3 201.628 2.132 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC000084084972 541358881 /nfs/dbraw/zinc/35/88/81/541358881.db2.gz PICSAMGTNRXHML-NEPJUHHUSA-N 0 3 240.734 2.128 10 0 BEAEHN CC(C)C[C@@H](N)C(=O)NCCC1CCCC1 ZINC000037740110 364574203 /nfs/dbraw/zinc/57/42/03/364574203.db2.gz VFAORCRPVXSXRL-GFCCVEGCSA-N 0 3 226.364 2.056 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1nnc(C2CCC2)[nH]1 ZINC000675060563 541386628 /nfs/dbraw/zinc/38/66/28/541386628.db2.gz IZHSMQHCNSEJSC-VXNVDRBHSA-N 0 3 208.309 2.118 10 0 BEAEHN CC[C@@H](C)[C@@H](N)c1n[nH]c(C2CCC2)n1 ZINC000675060563 541386630 /nfs/dbraw/zinc/38/66/30/541386630.db2.gz IZHSMQHCNSEJSC-VXNVDRBHSA-N 0 3 208.309 2.118 10 0 BEAEHN O[C@@H]1CCC[C@H](N[C@H]2CCCc3cccnc32)C1 ZINC000252545764 541449812 /nfs/dbraw/zinc/44/98/12/541449812.db2.gz JRLOWOSKDNLSAZ-MJBXVCDLSA-N 0 3 246.354 2.352 10 0 BEAEHN CCSc1cccc(NC(=O)[C@@H](C)NC)c1 ZINC000574650754 365112987 /nfs/dbraw/zinc/11/29/87/365112987.db2.gz JEUXMSMWCRMAQT-SECBINFHSA-N 0 3 238.356 2.345 10 0 BEAEHN NC[C@@H](OC[C@H]1CCCO1)c1ccccc1F ZINC000043047481 181423534 /nfs/dbraw/zinc/42/35/34/181423534.db2.gz TUFDYECVBFJRIO-ZWNOBZJWSA-N 0 3 239.290 2.021 10 0 BEAEHN CCC[C@@H](C(=O)N(C)CCC(C)C)N(C)C ZINC000179465579 541504747 /nfs/dbraw/zinc/50/47/47/541504747.db2.gz FVTCIPQOKHOYSB-LBPRGKRZSA-N 0 3 228.380 2.221 10 0 BEAEHN CCc1nc(C)c(CNC[C@@H](O)C(C)(C)C)o1 ZINC000383020448 367587014 /nfs/dbraw/zinc/58/70/14/367587014.db2.gz QONZQEQNMFGXGT-LLVKDONJSA-N 0 3 240.347 2.042 10 0 BEAEHN CN1CCC([C@H](O)c2cccc(Cl)n2)CC1 ZINC000034433958 368369224 /nfs/dbraw/zinc/36/92/24/368369224.db2.gz KOXYPGOLNFBYMN-LBPRGKRZSA-N 0 3 240.734 2.110 10 0 BEAEHN CC(C)NC(=O)CCN(C)Cc1ccccc1 ZINC000046502083 368444439 /nfs/dbraw/zinc/44/44/39/368444439.db2.gz DEUXDZXWQMNONP-UHFFFAOYSA-N 0 3 234.343 2.033 10 0 BEAEHN CCC[C@H](C(=O)N1CC[C@H](C)[C@H](C)C1)N(C)C ZINC000153732452 326111034 /nfs/dbraw/zinc/11/10/34/326111034.db2.gz FPNGPWQDPDNFJK-YNEHKIRRSA-N 0 3 240.391 2.221 10 0 BEAEHN NCc1c(Cl)cccc1N1CCCC1 ZINC000020469561 181471657 /nfs/dbraw/zinc/47/16/57/181471657.db2.gz WMYKHYYWNVHGON-UHFFFAOYSA-N 0 3 210.708 2.399 10 0 BEAEHN CS[C@@H]1CC[C@@H]1NCc1ccccn1 ZINC000308716593 370153421 /nfs/dbraw/zinc/15/34/21/370153421.db2.gz BPLYKXJBPZSAFL-WDEREUQCSA-N 0 3 208.330 2.065 10 0 BEAEHN C[C@@H]1C[C@@H]1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000255373555 370507274 /nfs/dbraw/zinc/50/72/74/370507274.db2.gz INLSVMPZQMNKLL-KWCYVHTRSA-N 0 3 246.354 2.062 10 0 BEAEHN CCC1(CC)[N+]([O-])=C(C)C(c2ccccc2)=[N+]1[O-] ZINC000225402590 370548238 /nfs/dbraw/zinc/54/82/38/370548238.db2.gz HIQXKYCZHBPXNT-UHFFFAOYSA-N 0 3 248.326 2.270 10 0 BEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccccc2)C1 ZINC000078642183 370583246 /nfs/dbraw/zinc/58/32/46/370583246.db2.gz NDKHNGAJTAXILL-DZGCQCFKSA-N 0 3 248.370 2.058 10 0 BEAEHN CC(C)(C)CCCNC(=O)[C@]1(C)CCCCN1 ZINC000313481579 370590294 /nfs/dbraw/zinc/59/02/94/370590294.db2.gz LYPLJYMSBKBSQN-AWEZNQCLSA-N 0 3 240.391 2.461 10 0 BEAEHN Cc1csc([C@H](C)N[C@H]2CCC[C@@H](O)C2)n1 ZINC000623871539 371135566 /nfs/dbraw/zinc/13/55/66/371135566.db2.gz HGPIQNRNQQCWJI-GARJFASQSA-N 0 3 240.372 2.406 10 0 BEAEHN N[C@@H](CN1CCCCCC1=O)c1ccccc1 ZINC000019277581 181545807 /nfs/dbraw/zinc/54/58/07/181545807.db2.gz URSHDPGSRGCKQO-ZDUSSCGKSA-N 0 3 232.327 2.089 10 0 BEAEHN N[C@@H](COC1CCCC1)c1ccc2c(c1)OCO2 ZINC000019262126 181550995 /nfs/dbraw/zinc/55/09/95/181550995.db2.gz ZMDZTOQWEHVYMJ-LBPRGKRZSA-N 0 3 249.310 2.374 10 0 BEAEHN N[C@@H](Cc1ccc(Cl)cc1)c1cnccn1 ZINC000037467092 181553244 /nfs/dbraw/zinc/55/32/44/181553244.db2.gz IOELTTAKWHLMST-NSHDSACASA-N 0 3 233.702 2.373 10 0 BEAEHN N[C@H](Cc1ccc(F)cc1)c1ccccn1 ZINC000037466297 181624670 /nfs/dbraw/zinc/62/46/70/181624670.db2.gz PGRNBWXGJUZDQT-GFCCVEGCSA-N 0 3 216.259 2.463 10 0 BEAEHN CN[C@@H]1COc2cc(F)c(Br)cc21 ZINC000131369536 371596315 /nfs/dbraw/zinc/59/63/15/371596315.db2.gz PDIBXVWVBBHSMN-MRVPVSSYSA-N 0 3 246.079 2.241 10 0 BEAEHN CC[C@@H]1CN=C(NC[C@H]2CCCS2)S1 ZINC000230009683 371632728 /nfs/dbraw/zinc/63/27/28/371632728.db2.gz QHHAPCWDQSYKOY-RKDXNWHRSA-N 0 3 230.402 2.353 10 0 BEAEHN C[C@@]1(c2ccc(Br)o2)CCN1 ZINC000131870932 371699892 /nfs/dbraw/zinc/69/98/92/371699892.db2.gz AJSYELXGYYBZON-QMMMGPOBSA-N 0 3 216.078 2.251 10 0 BEAEHN Cc1sccc1[C@@H](N)[C@@H]1CSCCO1 ZINC000227798801 371939557 /nfs/dbraw/zinc/93/95/57/371939557.db2.gz COIXJCCHQBVZLW-VHSXEESVSA-N 0 3 229.370 2.188 10 0 BEAEHN Cc1sccc1[C@@H](N)[C@H]1CSCCO1 ZINC000227798812 371939671 /nfs/dbraw/zinc/93/96/71/371939671.db2.gz COIXJCCHQBVZLW-NXEZZACHSA-N 0 3 229.370 2.188 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000627727944 371916249 /nfs/dbraw/zinc/91/62/49/371916249.db2.gz WMHKZZPDATVEMQ-NWDGAFQWSA-N 0 3 234.343 2.170 10 0 BEAEHN CC1(C)CCC[C@H]1CN1CCC(=O)CC1 ZINC000306875760 372075310 /nfs/dbraw/zinc/07/53/10/372075310.db2.gz HEAPVIGGFBCXHA-NSHDSACASA-N 0 3 209.333 2.478 10 0 BEAEHN Cc1nc(C[C@H](N)c2ccoc2)cs1 ZINC000068980115 373100092 /nfs/dbraw/zinc/10/00/92/373100092.db2.gz BOSFMSWVQQUYKQ-JTQLQIEISA-N 0 3 208.286 2.287 10 0 BEAEHN N[C@H](c1nc2c(s1)CSCC2)C1CC1 ZINC000042335337 374262194 /nfs/dbraw/zinc/26/21/94/374262194.db2.gz CEAZGWUELYVREX-VIFPVBQESA-N 0 3 226.370 2.342 10 0 BEAEHN O=C(Nc1cc(F)ccc1F)[C@H]1CCCCN1 ZINC000019408800 182349605 /nfs/dbraw/zinc/34/96/05/182349605.db2.gz HVROYXHSOVFQPM-SNVBAGLBSA-N 0 3 240.253 2.045 10 0 BEAEHN O=C(Nc1cccc2c1CNCC2)C1CCC1 ZINC000123531125 182373474 /nfs/dbraw/zinc/37/34/74/182373474.db2.gz ROMHFBPCCVDXMW-UHFFFAOYSA-N 0 3 230.311 2.071 10 0 BEAEHN CCCCN[C@@H](C)c1nnc2n1CCCCC2 ZINC000035229566 168873872 /nfs/dbraw/zinc/87/38/72/168873872.db2.gz VFQWCIXMTFMJRN-NSHDSACASA-N 0 3 236.363 2.455 10 0 BEAEHN OC[C@H]1CCCC[C@H]1NCc1ccccc1F ZINC000219011778 183148023 /nfs/dbraw/zinc/14/80/23/183148023.db2.gz IDDOLDGPUGJXJA-TZMCWYRMSA-N 0 3 237.318 2.466 10 0 BEAEHN O[C@@H]1CC[C@H](NCc2ccsc2Cl)C1 ZINC000307402980 183204620 /nfs/dbraw/zinc/20/46/20/183204620.db2.gz BDJCYWYFEWSWOC-DTWKUNHWSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@@H]1CC[C@H](NCc2sccc2Cl)C1 ZINC000307658618 183205305 /nfs/dbraw/zinc/20/53/05/183205305.db2.gz AQCOSOFKRGITSL-JGVFFNPUSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1CNCc1ccccc1F ZINC000077204110 183188247 /nfs/dbraw/zinc/18/82/47/183188247.db2.gz XPTJXJABNOQGLP-TZMCWYRMSA-N 0 3 237.318 2.466 10 0 BEAEHN O[C@@H]1CCC[C@@H]1NCc1sccc1Cl ZINC000193116947 183195300 /nfs/dbraw/zinc/19/53/00/183195300.db2.gz YTRPCQMKXCYECN-DTWKUNHWSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@@H]1CCC[C@@H]1NCc1ccc(Cl)s1 ZINC000070599986 183195432 /nfs/dbraw/zinc/19/54/32/183195432.db2.gz KGLZHZRUSWCCCQ-DTWKUNHWSA-N 0 3 231.748 2.405 10 0 BEAEHN CCCN(C)C[C@H]1CNc2ccccc2O1 ZINC000037098561 169077894 /nfs/dbraw/zinc/07/78/94/169077894.db2.gz WAQUWQNXMJRJFX-LLVKDONJSA-N 0 3 220.316 2.201 10 0 BEAEHN O[C@@H]1c2ccccc2OC[C@@H]1N1CCCCCC1 ZINC000044118093 183215019 /nfs/dbraw/zinc/21/50/19/183215019.db2.gz XCDLIDGAXCYDRT-DZGCQCFKSA-N 0 3 247.338 2.357 10 0 BEAEHN O[C@H]1CCC[C@H]1NCc1cc(Cl)cs1 ZINC000193116961 183237890 /nfs/dbraw/zinc/23/78/90/183237890.db2.gz OFWUAUGDTIVBFC-ZJUUUORDSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1ccccc1F ZINC000084228479 183238118 /nfs/dbraw/zinc/23/81/18/183238118.db2.gz LVLGNZXDOOKWPR-AAEUAGOBSA-N 0 3 223.291 2.076 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1ccccc1F ZINC000037490887 183233665 /nfs/dbraw/zinc/23/36/65/183233665.db2.gz BPAIEUUQGPYDQR-OLZOCXBDSA-N 0 3 223.291 2.219 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1ccc(F)c(F)c1 ZINC000089164360 183237730 /nfs/dbraw/zinc/23/77/30/183237730.db2.gz CMIMLNNZWPCPDS-GWCFXTLKSA-N 0 3 241.281 2.215 10 0 BEAEHN Oc1ccc2c(c1)OC[C@H]2NC1CCCC1 ZINC000019883608 183281483 /nfs/dbraw/zinc/28/14/83/183281483.db2.gz NDOGHCOADBOSGL-GFCCVEGCSA-N 0 3 219.284 2.358 10 0 BEAEHN CCCN(CC)c1c(CNCC)c(C)nn1C ZINC000034824828 169132183 /nfs/dbraw/zinc/13/21/83/169132183.db2.gz CGSRTFKURAUFLA-UHFFFAOYSA-N 0 3 238.379 2.074 10 0 BEAEHN Oc1ccc2c(c1)OC[C@@H]2NC1CCCC1 ZINC000019883607 183281783 /nfs/dbraw/zinc/28/17/83/183281783.db2.gz NDOGHCOADBOSGL-LBPRGKRZSA-N 0 3 219.284 2.358 10 0 BEAEHN [O-]c1ccc2c(c1Cl)OCC21CC[NH2+]CC1 ZINC000113564916 183282543 /nfs/dbraw/zinc/28/25/43/183282543.db2.gz KAHPLIZFBIIILM-UHFFFAOYSA-N 0 3 239.702 2.059 10 0 BEAEHN Oc1cccc([C@H]2CN3CCC2CC3)c1 ZINC000029247268 183293736 /nfs/dbraw/zinc/29/37/36/183293736.db2.gz XJFROBCJDBLYRU-ZDUSSCGKSA-N 0 3 203.285 2.201 10 0 BEAEHN c1c[nH]c(CNC23CC4CC(CC(C4)C2)C3)n1 ZINC000049714459 183324623 /nfs/dbraw/zinc/32/46/23/183324623.db2.gz FPMOIIOSCZJELC-UHFFFAOYSA-N 0 3 231.343 2.468 10 0 BEAEHN c1cc(CN2CCCC2)oc1CNC1CC1 ZINC000045205593 183340140 /nfs/dbraw/zinc/34/01/40/183340140.db2.gz CXQDIPYUKHBFNB-UHFFFAOYSA-N 0 3 220.316 2.127 10 0 BEAEHN c1cc(CN2CCCSCC2)ccn1 ZINC000129469078 183341759 /nfs/dbraw/zinc/34/17/59/183341759.db2.gz YCHXFGOYGAZPGH-UHFFFAOYSA-N 0 3 208.330 2.021 10 0 BEAEHN CCCN1CCc2nc(C(C)(C)N)sc2C1 ZINC000041059471 169208030 /nfs/dbraw/zinc/20/80/30/169208030.db2.gz KEWOLNTYWRFWMG-UHFFFAOYSA-N 0 3 239.388 2.105 10 0 BEAEHN CCCNCC(=O)c1cc(C)ccc1OC ZINC000049818347 169255877 /nfs/dbraw/zinc/25/58/77/169255877.db2.gz ZQEWFASRGSAHQL-UHFFFAOYSA-N 0 3 221.300 2.186 10 0 BEAEHN c1cc2c(c([C@@H]3CCCCN3)c1)OCC2 ZINC000082925813 183365654 /nfs/dbraw/zinc/36/56/54/183365654.db2.gz VFFZSEJMRKCILF-LBPRGKRZSA-N 0 3 203.285 2.436 10 0 BEAEHN c1cc(CNC[C@H]2CCCCO2)cc2c1OCO2 ZINC000049633128 183367930 /nfs/dbraw/zinc/36/79/30/183367930.db2.gz SIINUXKSHGADGQ-GFCCVEGCSA-N 0 3 249.310 2.074 10 0 BEAEHN c1cc(N[C@@H]2CN3CCC2CC3)cc2c1OCC2 ZINC000037103965 183370612 /nfs/dbraw/zinc/37/06/12/183370612.db2.gz VZEWYSBFKIZISQ-CQSZACIVSA-N 0 3 244.338 2.128 10 0 BEAEHN c1ccc(-c2ccnc3c2CNCCO3)cc1 ZINC000095616843 183380872 /nfs/dbraw/zinc/38/08/72/183380872.db2.gz HRYMFLWLMYNUBD-UHFFFAOYSA-N 0 3 226.279 2.231 10 0 BEAEHN CCCNCc1ccoc1Cn1cc(C)cn1 ZINC000052576846 169268379 /nfs/dbraw/zinc/26/83/79/169268379.db2.gz IDUBGYGZWQVTBC-UHFFFAOYSA-N 0 3 233.315 2.332 10 0 BEAEHN CCCNCc1nc2ccc(F)cc2n1C ZINC000052124547 169269462 /nfs/dbraw/zinc/26/94/62/169269462.db2.gz MDMVSYNOLCOJFI-UHFFFAOYSA-N 0 3 221.279 2.212 10 0 BEAEHN CCCN[C@@H](C)c1nc2cccnc2[nH]1 ZINC000062366687 169277300 /nfs/dbraw/zinc/27/73/00/169277300.db2.gz BOASYROIPMOVHF-QMMMGPOBSA-N 0 3 204.277 2.019 10 0 BEAEHN CCC[NH2+][C@@H](C)c1nc2cccnc2[n-]1 ZINC000062366687 169277302 /nfs/dbraw/zinc/27/73/02/169277302.db2.gz BOASYROIPMOVHF-QMMMGPOBSA-N 0 3 204.277 2.019 10 0 BEAEHN CCCN[C@@H](c1ccc(C)o1)[C@@H]1COCCO1 ZINC000055301195 169280642 /nfs/dbraw/zinc/28/06/42/169280642.db2.gz LFXRCIRQDGFWAU-STQMWFEESA-N 0 3 239.315 2.044 10 0 BEAEHN CCCOCCO[C@@H](CN)c1cccc(F)c1 ZINC000104248636 169309459 /nfs/dbraw/zinc/30/94/59/169309459.db2.gz CIECCBQPKGDXFM-ZDUSSCGKSA-N 0 3 241.306 2.269 10 0 BEAEHN CCCO[C@@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000037024989 169312138 /nfs/dbraw/zinc/31/21/38/169312138.db2.gz IOWJCHVCCUZEAF-ZIAGYGMSSA-N 0 3 235.327 2.436 10 0 BEAEHN CCCO[C@@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000037024985 169312271 /nfs/dbraw/zinc/31/22/71/169312271.db2.gz IOWJCHVCCUZEAF-KGLIPLIRSA-N 0 3 235.327 2.436 10 0 BEAEHN CCCO[C@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000037024991 169312784 /nfs/dbraw/zinc/31/27/84/169312784.db2.gz IOWJCHVCCUZEAF-UONOGXRCSA-N 0 3 235.327 2.436 10 0 BEAEHN CCCOc1ccc([C@H](O)CN(C)C)cc1 ZINC000044122495 169322140 /nfs/dbraw/zinc/32/21/40/169322140.db2.gz JGFUQEHTYFXFAG-CYBMUJFWSA-N 0 3 223.316 2.070 10 0 BEAEHN CCCOc1ccc2c(c1)[C@H](N)[C@@H](C)O2 ZINC000043634439 169323560 /nfs/dbraw/zinc/32/35/60/169323560.db2.gz XEPCSDIGGSISEX-PRHODGIISA-N 0 3 207.273 2.256 10 0 BEAEHN CCCOc1ccccc1CNC(C)(C)CO ZINC000020924336 169326993 /nfs/dbraw/zinc/32/69/93/169326993.db2.gz BIPUXBTVPLOINR-UHFFFAOYSA-N 0 3 237.343 2.336 10 0 BEAEHN CCCOc1ccnc2c1CCC[C@H]2N ZINC000095221074 169328089 /nfs/dbraw/zinc/32/80/89/169328089.db2.gz IDRFVJHAMVSERQ-SNVBAGLBSA-N 0 3 206.289 2.207 10 0 BEAEHN CCCOc1cnc2ccccc2c1CN ZINC000095942524 169328483 /nfs/dbraw/zinc/32/84/83/169328483.db2.gz YPZVNILDQRZTDW-UHFFFAOYSA-N 0 3 216.284 2.482 10 0 BEAEHN CCC[C@@H](C(=O)NC[C@@H]1CC=CCC1)N(C)C ZINC000120644598 169345468 /nfs/dbraw/zinc/34/54/68/169345468.db2.gz LGBMFVNTXRWWHD-OLZOCXBDSA-N 0 3 238.375 2.189 10 0 BEAEHN CCC[C@@H](C)CNCc1ccnc(C)n1 ZINC000038037504 169360165 /nfs/dbraw/zinc/36/01/65/169360165.db2.gz YDZHEWKNOYZINK-SNVBAGLBSA-N 0 3 207.321 2.311 10 0 BEAEHN CCC[C@@H](N)C(=O)NC1CCCCCCC1 ZINC000036872759 169388132 /nfs/dbraw/zinc/38/81/32/169388132.db2.gz WPAFCKJRFGMKFO-GFCCVEGCSA-N 0 3 226.364 2.343 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1F ZINC000037764228 169390914 /nfs/dbraw/zinc/39/09/14/169390914.db2.gz MOPJJHFAOOWNFJ-JOYOIKCWSA-N 0 3 238.306 2.130 10 0 BEAEHN CCC[C@@H](N)c1nc2ccccc2n1C ZINC000019734826 169393460 /nfs/dbraw/zinc/39/34/60/169393460.db2.gz SPEVFNNXBPYCTQ-SECBINFHSA-N 0 3 203.289 2.373 10 0 BEAEHN CCC[C@@H](N)c1nc2c(s1)CN(CC)CC2 ZINC000041059311 169393502 /nfs/dbraw/zinc/39/35/02/169393502.db2.gz FEOBJNUCPSFDOP-SECBINFHSA-N 0 3 239.388 2.321 10 0 BEAEHN CCCc1cc(OC)c(CNC)cc1OC ZINC000096888985 169567669 /nfs/dbraw/zinc/56/76/69/169567669.db2.gz OOXHLMLFZIYRQF-UHFFFAOYSA-N 0 3 223.316 2.376 10 0 BEAEHN C1OCC1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227244975 134376397 /nfs/dbraw/zinc/37/63/97/134376397.db2.gz PZGKUEKQUDFGAE-IJLUTSLNSA-N 0 3 209.333 2.334 10 0 BEAEHN Cc1cc(CN2C[C@@H](C)C[C@H](O)C2)cs1 ZINC000334733872 383860114 /nfs/dbraw/zinc/86/01/14/383860114.db2.gz ZVIMXQIDLQUTQF-CABZTGNLSA-N 0 3 225.357 2.259 10 0 BEAEHN C[C@@H](Cc1cccs1)NCc1cncnc1 ZINC000054767480 383957635 /nfs/dbraw/zinc/95/76/35/383957635.db2.gz MLWLZGKEVSKRCR-JTQLQIEISA-N 0 3 233.340 2.259 10 0 BEAEHN NCc1ccc(C(=O)c2ccccc2)s1 ZINC000090397616 384045504 /nfs/dbraw/zinc/04/55/04/384045504.db2.gz HPXQVCUZDIIDSQ-UHFFFAOYSA-N 0 3 217.293 2.438 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccccc1 ZINC000070256797 384095468 /nfs/dbraw/zinc/09/54/68/384095468.db2.gz VGWYJKWNNKFULP-CQSZACIVSA-N 0 3 248.370 2.393 10 0 BEAEHN CCc1ccc(OC)cc1OCCN(C)C ZINC000039102444 384102680 /nfs/dbraw/zinc/10/26/80/384102680.db2.gz UYNNZNKOKPRSRL-UHFFFAOYSA-N 0 3 223.316 2.198 10 0 BEAEHN CCc1ccc([C@@H](O)CCN(C)C)cc1 ZINC000039101188 384103080 /nfs/dbraw/zinc/10/30/80/384103080.db2.gz LFPHJFLMDCHKFP-ZDUSSCGKSA-N 0 3 207.317 2.234 10 0 BEAEHN c1ccc2c(c1)OC[C@@H]2NC[C@@H]1CCC=CO1 ZINC000070528345 384116319 /nfs/dbraw/zinc/11/63/19/384116319.db2.gz PQBZICJNCKEXGM-AAEUAGOBSA-N 0 3 231.295 2.402 10 0 BEAEHN O=C(c1ccc(Cl)s1)[C@H]1CCCN1 ZINC000036159328 384161955 /nfs/dbraw/zinc/16/19/55/384161955.db2.gz YCRJDEPDOOIAKJ-ZCFIWIBFSA-N 0 3 215.705 2.336 10 0 BEAEHN C[C@@H]1C[C@@H](N[C@H]2CCOc3ccccc32)CO1 ZINC000401866150 384164258 /nfs/dbraw/zinc/16/42/58/384164258.db2.gz VIIBIVXSHDFTDV-WZRBSPASSA-N 0 3 233.311 2.277 10 0 BEAEHN CC[C@@]1(C)CCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000335976924 384178963 /nfs/dbraw/zinc/17/89/63/384178963.db2.gz XHTLBUGBFUDFSF-KBPBESRZSA-N 0 3 238.375 2.167 10 0 BEAEHN Cc1cc(C(C)C)nc(N2C[C@H](C)NC[C@@H]2C)n1 ZINC000156889665 384206209 /nfs/dbraw/zinc/20/62/09/384206209.db2.gz RCPMUFIOIHECJY-RYUDHWBXSA-N 0 3 248.374 2.095 10 0 BEAEHN Cc1ccc([C@@H](O)CN(C)C[C@@H]2CCCO2)cc1 ZINC000044170814 384316204 /nfs/dbraw/zinc/31/62/04/384316204.db2.gz SVCKGRABAHUSJW-GJZGRUSLSA-N 0 3 249.354 2.139 10 0 BEAEHN Cc1ncsc1CN1CCC[C@@H]1CCCO ZINC000092785341 384322864 /nfs/dbraw/zinc/32/28/64/384322864.db2.gz XAOOURSIFJLMNX-LLVKDONJSA-N 0 3 240.372 2.188 10 0 BEAEHN CCC1(NCc2cc(C(N)=O)cs2)CCC1 ZINC000133324135 384284016 /nfs/dbraw/zinc/28/40/16/384284016.db2.gz RNUZMWLYBLRNQN-UHFFFAOYSA-N 0 3 238.356 2.269 10 0 BEAEHN C[C@H](N[C@@H]1COc2ccccc21)[C@H]1CCOC1 ZINC000119735003 384299860 /nfs/dbraw/zinc/29/98/60/384299860.db2.gz DVELRUXAPYETNV-GMXVVIOVSA-N 0 3 233.311 2.135 10 0 BEAEHN CCCCCNCc1c(C)nn(C)c1OC ZINC000135054909 384410157 /nfs/dbraw/zinc/41/01/57/384410157.db2.gz WBBLQLMWQCPMOW-UHFFFAOYSA-N 0 3 225.336 2.017 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1ccc(Cl)o1 ZINC000084228735 384379705 /nfs/dbraw/zinc/37/97/05/384379705.db2.gz AINNEUCYONJSHR-WPRPVWTQSA-N 0 3 229.707 2.184 10 0 BEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000082699277 384439533 /nfs/dbraw/zinc/43/95/33/384439533.db2.gz DFGMFRKSFIJVLX-WDEREUQCSA-N 0 3 240.347 2.090 10 0 BEAEHN C[C@H](N[C@@H]1CCCCC[C@H]1O)c1ccccn1 ZINC000160847896 384441099 /nfs/dbraw/zinc/44/10/99/384441099.db2.gz YJMKRUFZKGKVOS-IACUBPJLSA-N 0 3 234.343 2.426 10 0 BEAEHN COc1ccc(C)cc1CN1C[C@H](C)C[C@H](O)C1 ZINC000334746163 384486982 /nfs/dbraw/zinc/48/69/82/384486982.db2.gz OHGOXMWVUZSJSD-OCCSQVGLSA-N 0 3 249.354 2.206 10 0 BEAEHN CN[C@]1(c2nc(C)cs2)CCCSC1 ZINC000061590712 384519704 /nfs/dbraw/zinc/51/97/04/384519704.db2.gz ZQKPXELGELVPJU-SNVBAGLBSA-N 0 3 228.386 2.393 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000052395604 384537196 /nfs/dbraw/zinc/53/71/96/384537196.db2.gz GIQTYCVXVLNSAG-MRVPVSSYSA-N 0 3 226.707 2.195 10 0 BEAEHN CC(C)c1ccc(CN[C@H]2CCCNC2=O)cc1 ZINC000050394110 384621445 /nfs/dbraw/zinc/62/14/45/384621445.db2.gz LPWIOKRIUSGAET-AWEZNQCLSA-N 0 3 246.354 2.178 10 0 BEAEHN C[C@@H](N[C@H]1CC[C@H](O)CC1)c1ccco1 ZINC000100248175 384627293 /nfs/dbraw/zinc/62/72/93/384627293.db2.gz XXRWWTCZMYONOO-MXWKQRLJSA-N 0 3 209.289 2.234 10 0 BEAEHN O=C(CCCN(CCO)C1CC1)c1ccccc1 ZINC000050158193 384599275 /nfs/dbraw/zinc/59/92/75/384599275.db2.gz JMDDAHZNBZQSBQ-UHFFFAOYSA-N 0 3 247.338 2.106 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C1CC=CC1 ZINC000076962937 384668698 /nfs/dbraw/zinc/66/86/98/384668698.db2.gz NBSWYPYFLURPHN-CYBMUJFWSA-N 0 3 238.375 2.045 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000048775655 384674844 /nfs/dbraw/zinc/67/48/44/384674844.db2.gz QBHVWBKEEVFWIE-ZCFIWIBFSA-N 0 3 230.670 2.026 10 0 BEAEHN c1coc(CNC[C@H]2CC23CCOCC3)c1 ZINC000309637670 384675397 /nfs/dbraw/zinc/67/53/97/384675397.db2.gz SZUTUELUUJITNM-LLVKDONJSA-N 0 3 221.300 2.186 10 0 BEAEHN C[C@@H](Cc1cccs1)NCc1nccn1C ZINC000051922143 384703949 /nfs/dbraw/zinc/70/39/49/384703949.db2.gz ZOQSWEYPGRUSLY-JTQLQIEISA-N 0 3 235.356 2.202 10 0 BEAEHN CC(C)Cc1ccc([C@@H](C)NCC(N)=O)cc1 ZINC000021968376 384711512 /nfs/dbraw/zinc/71/15/12/384711512.db2.gz ZWZZVJICHQYBES-LLVKDONJSA-N 0 3 234.343 2.021 10 0 BEAEHN C[C@H]1Sc2cc(F)c(F)cc2[C@H]1N ZINC000043636036 384727599 /nfs/dbraw/zinc/72/75/99/384727599.db2.gz OUOGPHPRMJHWJU-MOFOKWOHSA-N 0 3 201.241 2.459 10 0 BEAEHN CC[C@H](CC(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000104866927 384716355 /nfs/dbraw/zinc/71/63/55/384716355.db2.gz BRFRYMHULIPECP-OLZOCXBDSA-N 0 3 240.391 2.269 10 0 BEAEHN CN[C@@H]1c2cccc(Br)c2O[C@@H]1C ZINC000043634683 384716552 /nfs/dbraw/zinc/71/65/52/384716552.db2.gz TVLOVFRBPVEHKO-MUWHJKNJSA-N 0 3 242.116 2.491 10 0 BEAEHN CCCn1nc(C)c(CN(C)CC)c1C ZINC000126251774 384784996 /nfs/dbraw/zinc/78/49/96/384784996.db2.gz PIWATSMPXYJFBT-UHFFFAOYSA-N 0 3 209.337 2.362 10 0 BEAEHN CC[C@H](NCc1ncnn1CC)C(C)(C)C ZINC000310038786 384805275 /nfs/dbraw/zinc/80/52/75/384805275.db2.gz WKLOHEGRXCFVGV-JTQLQIEISA-N 0 3 224.352 2.212 10 0 BEAEHN Cc1ccc(F)c(CN[C@@H]2CCO[C@H]2C)c1 ZINC000127324962 384881399 /nfs/dbraw/zinc/88/13/99/384881399.db2.gz SEJBHSFJMXYEOD-GXFFZTMASA-N 0 3 223.291 2.401 10 0 BEAEHN CN[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000055421685 384884231 /nfs/dbraw/zinc/88/42/31/384884231.db2.gz SRRIYZVQYYXFMP-JTQLQIEISA-N 0 3 228.295 2.386 10 0 BEAEHN Cc1ccoc1CNC[C@H]1CCCC[C@H]1O ZINC000126959008 384845367 /nfs/dbraw/zinc/84/53/67/384845367.db2.gz PICUYSARBKOGHM-VXGBXAGGSA-N 0 3 223.316 2.229 10 0 BEAEHN Cn1ccc(CNCCC2CCCC2)n1 ZINC000112339876 384854211 /nfs/dbraw/zinc/85/42/11/384854211.db2.gz AOWAABMXXBZXOC-UHFFFAOYSA-N 0 3 207.321 2.090 10 0 BEAEHN CC[C@H](NCC(C)(C)O)c1nc(C)cs1 ZINC000112544271 384860179 /nfs/dbraw/zinc/86/01/79/384860179.db2.gz XMCGRYGEUTWUKO-VIFPVBQESA-N 0 3 228.361 2.263 10 0 BEAEHN CC(C)CCCN[C@H]1CCCn2ncnc21 ZINC000363860951 384889257 /nfs/dbraw/zinc/88/92/57/384889257.db2.gz YTMPMXWYOQMIMV-NSHDSACASA-N 0 3 222.336 2.139 10 0 BEAEHN Cc1ccc(F)c(CNC(C)(C)[C@@H](C)O)c1 ZINC000127138211 384869070 /nfs/dbraw/zinc/86/90/70/384869070.db2.gz ABBVSZKKEVVKIP-SNVBAGLBSA-N 0 3 225.307 2.383 10 0 BEAEHN Cc1ccc(CN(C)CCCCCO)o1 ZINC000051019819 384907160 /nfs/dbraw/zinc/90/71/60/384907160.db2.gz ZAADXVBWYQMKLF-UHFFFAOYSA-N 0 3 211.305 2.182 10 0 BEAEHN C[C@@H]1[C@@H](NC2COC2)C[C@@H]1c1ccccc1 ZINC000376862585 384935454 /nfs/dbraw/zinc/93/54/54/384935454.db2.gz YHVUAORSDLVZST-BPNCWPANSA-N 0 3 217.312 2.167 10 0 BEAEHN Cc1sccc1CN[C@H]1CCO[C@H]1C ZINC000306430673 384941357 /nfs/dbraw/zinc/94/13/57/384941357.db2.gz QKOBIMSAUODISO-KWQFWETISA-N 0 3 211.330 2.324 10 0 BEAEHN Cc1ccc(CN[C@@H](C)[C@H]2CCCO2)nc1 ZINC000087782226 384989611 /nfs/dbraw/zinc/98/96/11/384989611.db2.gz CBXPNKHTSAGPLS-WCQYABFASA-N 0 3 220.316 2.047 10 0 BEAEHN CC(C)C1(NCC(=O)N2CCCCCC2)CC1 ZINC000339508496 385012102 /nfs/dbraw/zinc/01/21/02/385012102.db2.gz JEEVRASIHGPXIM-UHFFFAOYSA-N 0 3 238.375 2.167 10 0 BEAEHN CN(C)C1(c2cccc(O)c2)CCC(=O)CC1 ZINC000027086472 385016260 /nfs/dbraw/zinc/01/62/60/385016260.db2.gz HKLNGNRLBNQVOQ-UHFFFAOYSA-N 0 3 233.311 2.292 10 0 BEAEHN Cn1cc([C@H]2CCN(Cc3ccsc3)C2)cn1 ZINC000128537771 385047945 /nfs/dbraw/zinc/04/79/45/385047945.db2.gz OGNSOGPFUQXHNL-LBPRGKRZSA-N 0 3 247.367 2.471 10 0 BEAEHN NCc1ccc(OCc2ccccc2)cn1 ZINC000059680237 385050982 /nfs/dbraw/zinc/05/09/82/385050982.db2.gz QQPHJQQKPMJBKQ-UHFFFAOYSA-N 0 3 214.268 2.119 10 0 BEAEHN Cc1c[nH]c(CN2CCC[C@H](C)C2)c(C)c1=O ZINC000058823340 385026121 /nfs/dbraw/zinc/02/61/21/385026121.db2.gz IKSXICQZWOTIAL-JTQLQIEISA-N 0 3 234.343 2.224 10 0 BEAEHN Cn1cc([C@H]2CCN(Cc3ccco3)C2)cn1 ZINC000128357404 385026918 /nfs/dbraw/zinc/02/69/18/385026918.db2.gz VORQABUPEZCVKI-NSHDSACASA-N 0 3 231.299 2.003 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H]1O)c1ccsc1 ZINC000061363070 385112198 /nfs/dbraw/zinc/11/21/98/385112198.db2.gz YUIYHRVNAYYHOX-GDPRMGEGSA-N 0 3 211.330 2.312 10 0 BEAEHN CC(C)[C@@H]1OCC[C@@H]1CNCc1ccco1 ZINC000165415161 385123774 /nfs/dbraw/zinc/12/37/74/385123774.db2.gz IWKOWKYFTDUKQG-YPMHNXCESA-N 0 3 223.316 2.430 10 0 BEAEHN C[C@H](NC[C@@H]1CCC[C@@H]1O)c1cncc(F)c1 ZINC000129240892 385127681 /nfs/dbraw/zinc/12/76/81/385127681.db2.gz BYWDKQONGMCVIE-KWBADKCTSA-N 0 3 238.306 2.032 10 0 BEAEHN CC[C@@H]1CN(C2CCC(=O)CC2)CCS1 ZINC000157264259 385129540 /nfs/dbraw/zinc/12/95/40/385129540.db2.gz CRKJVPZAJOLWJB-GFCCVEGCSA-N 0 3 227.373 2.326 10 0 BEAEHN CC[C@](C)(O)CN[C@H](C)c1ncc(C)s1 ZINC000119383666 385090703 /nfs/dbraw/zinc/09/07/03/385090703.db2.gz IRPNONPVTFAPIH-KOLCDFICSA-N 0 3 228.361 2.263 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1ccnn1CC ZINC000119429609 385093405 /nfs/dbraw/zinc/09/34/05/385093405.db2.gz XWTMJWYAHOBHMO-ZYHUDNBSSA-N 0 3 207.321 2.181 10 0 BEAEHN CC[C@@H](NC[C@@](C)(O)CC)c1nccs1 ZINC000119381582 385093959 /nfs/dbraw/zinc/09/39/59/385093959.db2.gz SRHJCFDFXIBYGV-KOLCDFICSA-N 0 3 228.361 2.345 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1ccnn1CC ZINC000119429325 385094732 /nfs/dbraw/zinc/09/47/32/385094732.db2.gz XWTMJWYAHOBHMO-PWSUYJOCSA-N 0 3 207.321 2.181 10 0 BEAEHN CNCc1sc([C@@H]2CCCO2)nc1C ZINC000062214218 385094987 /nfs/dbraw/zinc/09/49/87/385094987.db2.gz QEMXGPLUVXOJKJ-QMMMGPOBSA-N 0 3 212.318 2.022 10 0 BEAEHN CC[C@](C)(O)CN1Cc2ccccc2C1 ZINC000119416092 385095742 /nfs/dbraw/zinc/09/57/42/385095742.db2.gz UIAWVIFBPZQOKW-ZDUSSCGKSA-N 0 3 205.301 2.163 10 0 BEAEHN NCc1cnnn1-c1cc(Cl)cc(Cl)c1 ZINC000062237744 385103172 /nfs/dbraw/zinc/10/31/72/385103172.db2.gz BVXFOBDDMYKCRN-UHFFFAOYSA-N 0 3 243.097 2.033 10 0 BEAEHN CC[C@H]1CN2CCC[C@H]2CN1CC(F)(F)F ZINC000246433780 385162888 /nfs/dbraw/zinc/16/28/88/385162888.db2.gz HDMQXWFULGEORO-UWVGGRQHSA-N 0 3 236.281 2.107 10 0 BEAEHN C[C@@H]1C[C@@H](O)CN(Cc2ccc(F)cc2)C1 ZINC000334748767 385210671 /nfs/dbraw/zinc/21/06/71/385210671.db2.gz YWCXJZOMTNQDOO-ZWNOBZJWSA-N 0 3 223.291 2.028 10 0 BEAEHN CCOC[C@@H](C)NCc1cnc(CC)s1 ZINC000044691855 385217539 /nfs/dbraw/zinc/21/75/39/385217539.db2.gz CQQLJETUICGPLN-SECBINFHSA-N 0 3 228.361 2.220 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NCC[C@H]1CCOC1 ZINC000346870258 385265904 /nfs/dbraw/zinc/26/59/04/385265904.db2.gz LSTFSQFRCQWWDB-WCQYABFASA-N 0 3 233.311 2.136 10 0 BEAEHN CC(C)N(C)c1ccc(CN[C@H]2C[C@@H]2C)cn1 ZINC000190952178 385272161 /nfs/dbraw/zinc/27/21/61/385272161.db2.gz WUHSXTHIJSBBNV-AAEUAGOBSA-N 0 3 233.359 2.424 10 0 BEAEHN Cc1cccc([C@@H](C)NCC(=O)N(C)C2CC2)c1 ZINC000160231148 385421693 /nfs/dbraw/zinc/42/16/93/385421693.db2.gz QQSBILQTUYVPQU-GFCCVEGCSA-N 0 3 246.354 2.266 10 0 BEAEHN CC[C@H](NCc1cn(C(C)C)nn1)C(C)C ZINC000309175214 385445032 /nfs/dbraw/zinc/44/50/32/385445032.db2.gz BZJIXARTPNRNAZ-LBPRGKRZSA-N 0 3 224.352 2.383 10 0 BEAEHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170874802 385453502 /nfs/dbraw/zinc/45/35/02/385453502.db2.gz FAMBTAPWTJMHFY-CYBMUJFWSA-N 0 3 247.342 2.163 10 0 BEAEHN CCC[C@H](C(=O)NC[C@@H](C)C(C)C)N(C)C ZINC000179404217 385466107 /nfs/dbraw/zinc/46/61/07/385466107.db2.gz TZFGYNXHOZMLCW-VXGBXAGGSA-N 0 3 228.380 2.125 10 0 BEAEHN FC(F)(F)Oc1cccc2c1CNC2 ZINC000257899159 385508573 /nfs/dbraw/zinc/50/85/73/385508573.db2.gz DHVHYSJKKATCKU-UHFFFAOYSA-N 0 3 203.163 2.188 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000054075190 385594342 /nfs/dbraw/zinc/59/43/42/385594342.db2.gz ARVCIDKKFOKDKF-MWLCHTKSSA-N 0 3 238.356 2.020 10 0 BEAEHN COC(=O)C[C@@H](N)c1csc2ccccc21 ZINC000054462690 385595660 /nfs/dbraw/zinc/59/56/60/385595660.db2.gz YSTHYNLIOXIOJZ-SNVBAGLBSA-N 0 3 235.308 2.464 10 0 BEAEHN COc1ccccc1CN[C@@H]1CCC[C@H](O)C1 ZINC000037164428 385597280 /nfs/dbraw/zinc/59/72/80/385597280.db2.gz BMUIEJDPPHFNOQ-OLZOCXBDSA-N 0 3 235.327 2.088 10 0 BEAEHN NC[C@@H](c1ccc(Cl)s1)N1CCCC1 ZINC000036906789 385590590 /nfs/dbraw/zinc/59/05/90/385590590.db2.gz APWFHIAUSLIRSB-QMMMGPOBSA-N 0 3 230.764 2.497 10 0 BEAEHN Cn1ccc(CN[C@H]2CCC[C@H]2CCF)n1 ZINC000309553253 385686876 /nfs/dbraw/zinc/68/68/76/385686876.db2.gz GRTTYHQXFWPVOD-JQWIXIFHSA-N 0 3 225.311 2.038 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccccn1 ZINC000270928570 385760004 /nfs/dbraw/zinc/76/00/04/385760004.db2.gz PRMXIGTZMDONRN-SGMGOOAPSA-N 0 3 234.343 2.283 10 0 BEAEHN Nc1cc(CN2CCCCC2)ccc1F ZINC000259281289 385783103 /nfs/dbraw/zinc/78/31/03/385783103.db2.gz HNMCCDRVZPQKTP-UHFFFAOYSA-N 0 3 208.280 2.394 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cccc(OC)n1 ZINC000233415808 385949477 /nfs/dbraw/zinc/94/94/77/385949477.db2.gz JZWUJBQJKIYBSU-JQWIXIFHSA-N 0 3 220.316 2.368 10 0 BEAEHN C[C@@H]1[C@H](O)CCCN1Cc1cccs1 ZINC000295113409 385970256 /nfs/dbraw/zinc/97/02/56/385970256.db2.gz WKJAITHCKNLPGD-MWLCHTKSSA-N 0 3 211.330 2.093 10 0 BEAEHN C[C@H]1C[C@](N)(c2sccc2Cl)CO1 ZINC000575564199 386048949 /nfs/dbraw/zinc/04/89/49/386048949.db2.gz DGPGGJGOOLXYQX-IMTBSYHQSA-N 0 3 217.721 2.364 10 0 BEAEHN C/C=C/[C@@H](N)c1cncc(Br)c1 ZINC000575564008 386054802 /nfs/dbraw/zinc/05/48/02/386054802.db2.gz ZHLNFCJBJRYHLM-GKQMSVHHSA-N 0 3 227.105 2.420 10 0 BEAEHN C[C@@H](N)c1cnc(C2CCOCC2)s1 ZINC000054160637 386112262 /nfs/dbraw/zinc/11/22/62/386112262.db2.gz XLPKOUWZNLMGKK-SSDOTTSWSA-N 0 3 212.318 2.057 10 0 BEAEHN CCOc1ccccc1CN(C)[C@@H]1CCC[C@H]1O ZINC000286693059 386065856 /nfs/dbraw/zinc/06/58/56/386065856.db2.gz VYQKUVSMIQQDCG-ZIAGYGMSSA-N 0 3 249.354 2.431 10 0 BEAEHN C[C@H]1C[C@](N)(c2ccc(Cl)s2)CO1 ZINC000575567768 386095753 /nfs/dbraw/zinc/09/57/53/386095753.db2.gz ZTJMUGRRCYPNTP-IMTBSYHQSA-N 0 3 217.721 2.364 10 0 BEAEHN N[C@]1(c2cscc2Br)CCOC1 ZINC000575567759 386097392 /nfs/dbraw/zinc/09/73/92/386097392.db2.gz LBJOONJVNYQNJV-MRVPVSSYSA-N 0 3 248.145 2.085 10 0 BEAEHN C[C@H]1CC[C@@](N)(c2cnsc2)CS1 ZINC000575573309 386161840 /nfs/dbraw/zinc/16/18/40/386161840.db2.gz XARUJMYOTWVSOO-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN CN[C@@](C)(CO)c1ccc(Cl)c(Cl)c1 ZINC000038121149 386124465 /nfs/dbraw/zinc/12/44/65/386124465.db2.gz WIRARKNKKHOXAG-JTQLQIEISA-N 0 3 234.126 2.420 10 0 BEAEHN Cc1ncc([C@]2(N)CCS[C@H]2C)s1 ZINC000575571406 386142939 /nfs/dbraw/zinc/14/29/39/386142939.db2.gz UZKAKMVCDADOMK-RCOVLWMOSA-N 0 3 214.359 2.131 10 0 BEAEHN COC(=O)c1coc(CN[C@H]2CCC[C@H]2C)c1 ZINC000130777451 386202667 /nfs/dbraw/zinc/20/26/67/386202667.db2.gz XIUZNPNJSJYXDE-SKDRFNHKSA-N 0 3 237.299 2.344 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCn2ncnc21 ZINC000164749760 386285334 /nfs/dbraw/zinc/28/53/34/386285334.db2.gz CVWYNKGSKLAJEI-GRYCIOLGSA-N 0 3 234.347 2.281 10 0 BEAEHN CC(C)(C)[C@H](N)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366344214 386379953 /nfs/dbraw/zinc/37/99/53/386379953.db2.gz FFARPEPLDYMTHL-GRYCIOLGSA-N 0 3 238.375 2.151 10 0 BEAEHN Cc1cccc(OCCN2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399196935 386447337 /nfs/dbraw/zinc/44/73/37/386447337.db2.gz DMTOXKDQZVKHEI-KBPBESRZSA-N 0 3 249.354 2.219 10 0 BEAEHN CCC[C@@H]1C[C@@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000165045519 386498763 /nfs/dbraw/zinc/49/87/63/386498763.db2.gz MKSSVAXMYQXDMT-MNOVXSKESA-N 0 3 220.316 2.374 10 0 BEAEHN N[C@H]1CCOc2cc(F)cc(Br)c21 ZINC000238602847 386508506 /nfs/dbraw/zinc/50/85/06/386508506.db2.gz YSWPWJMKDVVYGT-ZETCQYMHSA-N 0 3 246.079 2.371 10 0 BEAEHN CC(C)(C)[C@@H]1CCC[C@]1(N)c1ncc[nH]1 ZINC000521401704 386461424 /nfs/dbraw/zinc/46/14/24/386461424.db2.gz NATQVRRMWWNESM-JOYOIKCWSA-N 0 3 207.321 2.410 10 0 BEAEHN CC(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000136191802 386569245 /nfs/dbraw/zinc/56/92/45/386569245.db2.gz WBIKIMJDROIRKY-TZMCWYRMSA-N 0 3 238.375 2.023 10 0 BEAEHN CCN(Cc1c(C)nn(C)c1OC)CC(C)C ZINC000179301970 386635651 /nfs/dbraw/zinc/63/56/51/386635651.db2.gz LBOJYIGFCFAMKF-UHFFFAOYSA-N 0 3 239.363 2.215 10 0 BEAEHN C[C@H](CNC(=O)Nc1ccccc1)N1CCCC1 ZINC000027350776 386682230 /nfs/dbraw/zinc/68/22/30/386682230.db2.gz BKYGPBVPKHMCBR-GFCCVEGCSA-N 0 3 247.342 2.292 10 0 BEAEHN O=C(CN1CCC[C@]2(CC=CCC2)C1)NC1CC1 ZINC000114493785 386791175 /nfs/dbraw/zinc/79/11/75/386791175.db2.gz IYBQYYDOLWUIEP-OAHLLOKOSA-N 0 3 248.370 2.087 10 0 BEAEHN C[C@@H]1OCC[C@@]1(N)c1sccc1Cl ZINC000575449296 386791294 /nfs/dbraw/zinc/79/12/94/386791294.db2.gz GDUUIXAAUJWKOB-RCOVLWMOSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@](O)(CN1C[C@H]2CCCC[C@H]21)C(F)(F)F ZINC000368054025 386935609 /nfs/dbraw/zinc/93/56/09/386935609.db2.gz JPYSSMXCOMVPEO-BBBLOLIVSA-N 0 3 237.265 2.174 10 0 BEAEHN CCc1cc(N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)ccn1 ZINC000398736325 386976161 /nfs/dbraw/zinc/97/61/61/386976161.db2.gz DRNQAZQESARSDV-SLEUVZQESA-N 0 3 246.354 2.241 10 0 BEAEHN O[C@@H]1CC[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000398777984 386991418 /nfs/dbraw/zinc/99/14/18/386991418.db2.gz MLHYCJDYUJZGRE-UMVBOHGHSA-N 0 3 249.329 2.419 10 0 BEAEHN CCCn1cc(CNCCc2ccccn2)cn1 ZINC000116912037 386997931 /nfs/dbraw/zinc/99/79/31/386997931.db2.gz ZQBZBXMLGJNIDV-UHFFFAOYSA-N 0 3 244.342 2.020 10 0 BEAEHN N[C@@H](c1cncs1)[C@H]1CCCCS1 ZINC000575463414 387043668 /nfs/dbraw/zinc/04/36/68/387043668.db2.gz ZYQAZJQTIVOYHB-VXNVDRBHSA-N 0 3 214.359 2.429 10 0 BEAEHN Cc1cc([C@@]2(N)CCCSC2)sn1 ZINC000575464277 387044964 /nfs/dbraw/zinc/04/49/64/387044964.db2.gz HXVCQOQCQVVAAL-SECBINFHSA-N 0 3 214.359 2.133 10 0 BEAEHN CC(C)c1cnc(N2CCNC(C)(C)C2)s1 ZINC000334978158 387065096 /nfs/dbraw/zinc/06/50/96/387065096.db2.gz JENXKUMPXXVUAR-UHFFFAOYSA-N 0 3 239.388 2.455 10 0 BEAEHN COc1ncccc1CN[C@H](C)[C@@H]1C[C@@H]1C ZINC000322334496 259705226 /nfs/dbraw/zinc/70/52/26/259705226.db2.gz PPHOGBXIRGDWAV-HOSYDEDBSA-N 0 3 220.316 2.224 10 0 BEAEHN c1n[nH]cc1[C@@H]1CCCCN1C[C@H]1CCCO1 ZINC000246372728 387080904 /nfs/dbraw/zinc/08/09/04/387080904.db2.gz MIPMHIUCNIFMTH-OLZOCXBDSA-N 0 3 235.331 2.116 10 0 BEAEHN C[C@@H](CCC1CC1)N[C@@H]1CCCn2ncnc21 ZINC000186377370 387099130 /nfs/dbraw/zinc/09/91/30/387099130.db2.gz DYWUREGEHBOSSL-CMPLNLGQSA-N 0 3 234.347 2.281 10 0 BEAEHN C[C@@H](CCC1CC1)N[C@H]1CCCn2ncnc21 ZINC000186377404 387099160 /nfs/dbraw/zinc/09/91/60/387099160.db2.gz DYWUREGEHBOSSL-JQWIXIFHSA-N 0 3 234.347 2.281 10 0 BEAEHN [NH3+][C@@H](CC(F)F)c1ccc([O-])cc1F ZINC000575437301 387106363 /nfs/dbraw/zinc/10/63/63/387106363.db2.gz CPDYQVITKNBVEE-QMMMGPOBSA-N 0 3 205.179 2.186 10 0 BEAEHN COc1cccc([C@H](N)CC(F)F)c1OC ZINC000575437233 387107847 /nfs/dbraw/zinc/10/78/47/387107847.db2.gz BPVSTUKBYIEYIT-MRVPVSSYSA-N 0 3 231.242 2.359 10 0 BEAEHN COc1ccc(F)c([C@@H](N)CC(F)F)c1 ZINC000575437643 387109925 /nfs/dbraw/zinc/10/99/25/387109925.db2.gz LMWQHSCFFSFFJY-VIFPVBQESA-N 0 3 219.206 2.489 10 0 BEAEHN COc1ccc(F)c([C@@H](N)CCF)c1F ZINC000575438137 387115290 /nfs/dbraw/zinc/11/52/90/387115290.db2.gz GLPWDAOQVWKRLX-ZETCQYMHSA-N 0 3 219.206 2.333 10 0 BEAEHN C(CN1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000335026028 387118820 /nfs/dbraw/zinc/11/88/20/387118820.db2.gz ROWMZQGDORMZHJ-STQMWFEESA-N 0 3 209.333 2.430 10 0 BEAEHN N[C@H](CCF)c1ccc(F)c(F)c1F ZINC000575440269 387127164 /nfs/dbraw/zinc/12/71/64/387127164.db2.gz YGABBYPGDMVHCA-SSDOTTSWSA-N 0 3 207.170 2.463 10 0 BEAEHN CN(C)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000023069857 387149357 /nfs/dbraw/zinc/14/93/57/387149357.db2.gz FXOGIUBNPMYFMF-SNVBAGLBSA-N 0 3 232.249 2.267 10 0 BEAEHN CC(C)(C)OC[C@@H](O)CN1CCCC2(CC2)C1 ZINC000186978359 387159757 /nfs/dbraw/zinc/15/97/57/387159757.db2.gz XZGYJJRGBOYREV-LBPRGKRZSA-N 0 3 241.375 2.038 10 0 BEAEHN CCc1nc2snc(CN)c2c(C)c1C ZINC000536953852 387166663 /nfs/dbraw/zinc/16/66/63/387166663.db2.gz JMPYRLLMTOZSAI-UHFFFAOYSA-N 0 3 221.329 2.329 10 0 BEAEHN CN1CCC(c2nccc(NC(C)(C)C)n2)CC1 ZINC000575601385 387361562 /nfs/dbraw/zinc/36/15/62/387361562.db2.gz CRNLKPMJDFJXDL-UHFFFAOYSA-N 0 3 248.374 2.496 10 0 BEAEHN CN(C)c1cccc(C(F)(F)F)c1CN ZINC000575601631 387362024 /nfs/dbraw/zinc/36/20/24/387362024.db2.gz KDNRKWKPFSDALC-UHFFFAOYSA-N 0 3 218.222 2.230 10 0 BEAEHN NCc1c(Br)oc2c1CCCC2 ZINC000575602891 387366841 /nfs/dbraw/zinc/36/68/41/387366841.db2.gz ZPDBZEYZSWZHBY-UHFFFAOYSA-N 0 3 230.105 2.380 10 0 BEAEHN N[C@@H](C(=O)Nc1ccsc1Cl)C1CC1 ZINC000306577433 387437912 /nfs/dbraw/zinc/43/79/12/387437912.db2.gz LINJYSWHNVKSEX-SSDOTTSWSA-N 0 3 230.720 2.077 10 0 BEAEHN CCOc1ccc(OCC)c(CN)c1C ZINC000575721266 387443055 /nfs/dbraw/zinc/44/30/55/387443055.db2.gz HJKUXAVXYKCNMW-UHFFFAOYSA-N 0 3 209.289 2.251 10 0 BEAEHN Cc1nnc(SC(C)C)c(CN)c1C ZINC000040290694 387496673 /nfs/dbraw/zinc/49/66/73/387496673.db2.gz YVNLVPRUSGKVTP-UHFFFAOYSA-N 0 3 211.334 2.053 10 0 BEAEHN CC[C@@H](C(=O)NC1CCC(CC)CC1)N(C)C ZINC000124325196 387612852 /nfs/dbraw/zinc/61/28/52/387612852.db2.gz DDDDYKIWSFQZPG-BPCQOVAHSA-N 0 3 240.391 2.412 10 0 BEAEHN CCCNC(=O)[C@@H](C)N[C@@H](C)c1cccs1 ZINC000035139680 387555115 /nfs/dbraw/zinc/55/51/15/387555115.db2.gz GRTWSLPJXSNJBO-VHSXEESVSA-N 0 3 240.372 2.313 10 0 BEAEHN C[C@@H]1CS[C@]2(CC[C@@H](C)SC2)N1 ZINC000575534356 387556449 /nfs/dbraw/zinc/55/64/49/387556449.db2.gz IWYMWHQZTYUXMF-HLTSFMKQSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@@H]1OCC[C@@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284198479 387576870 /nfs/dbraw/zinc/57/68/70/387576870.db2.gz BPJZJYPCCVRPDD-JQWIXIFHSA-N 0 3 249.358 2.041 10 0 BEAEHN C[C@@](N)(c1ccsc1)c1cnsc1 ZINC000575548177 387644443 /nfs/dbraw/zinc/64/44/43/387644443.db2.gz BSCVAMPHSSYSJO-SECBINFHSA-N 0 3 210.327 2.427 10 0 BEAEHN NC1(c2ccc(F)c(Cl)c2)CSC1 ZINC000575553748 387657322 /nfs/dbraw/zinc/65/73/22/387657322.db2.gz GSNUCVKUYPSCQB-UHFFFAOYSA-N 0 3 217.696 2.380 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H](C)C2)n1 ZINC000128455778 387748094 /nfs/dbraw/zinc/74/80/94/387748094.db2.gz CDDDYVIVJAZTLN-MWLCHTKSSA-N 0 3 220.316 2.374 10 0 BEAEHN Cc1ncc([C@]2(N)CS[C@H](C)C2)s1 ZINC000575573104 387754163 /nfs/dbraw/zinc/75/41/63/387754163.db2.gz SRQJFTXUKPYILB-HZGVNTEJSA-N 0 3 214.359 2.131 10 0 BEAEHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)CO)CCCO2 ZINC000127579823 387720163 /nfs/dbraw/zinc/72/01/63/387720163.db2.gz KNOWMQAQNCQSNC-AAEUAGOBSA-N 0 3 235.327 2.179 10 0 BEAEHN Cc1ncsc1[C@]1(N)CS[C@H](C)C1 ZINC000575569098 387730244 /nfs/dbraw/zinc/73/02/44/387730244.db2.gz BVZFLUVBSDGLIF-HZGVNTEJSA-N 0 3 214.359 2.131 10 0 BEAEHN C[C@H]1SCCC[C@]1(N)c1cncs1 ZINC000575567516 387736730 /nfs/dbraw/zinc/73/67/30/387736730.db2.gz YAAVYLBVCXTDDN-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@H]1COC[C@@]1(N)c1ccc(Cl)s1 ZINC000575570556 387738755 /nfs/dbraw/zinc/73/87/55/387738755.db2.gz KOAFXEJPUSMCRN-RCOVLWMOSA-N 0 3 217.721 2.222 10 0 BEAEHN CC[C@@H](N)c1ncsc1Br ZINC000575571499 387739416 /nfs/dbraw/zinc/73/94/16/387739416.db2.gz WDJRAKGFAHGTGJ-SCSAIBSYSA-N 0 3 221.123 2.315 10 0 BEAEHN CCSCCNCc1cccc2c1OCO2 ZINC000128898068 387757667 /nfs/dbraw/zinc/75/76/67/387757667.db2.gz JUIOERYCPNKEGK-UHFFFAOYSA-N 0 3 239.340 2.258 10 0 BEAEHN CC[C@H](N[C@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898319 387821391 /nfs/dbraw/zinc/82/13/91/387821391.db2.gz VJHUEUHKSNKKMP-YPMHNXCESA-N 0 3 234.343 2.218 10 0 BEAEHN Cc1csc([C@H]2CCCN(CCCO)C2)n1 ZINC000195441152 387915045 /nfs/dbraw/zinc/91/50/45/387915045.db2.gz MHQGQNKEILKEFH-NSHDSACASA-N 0 3 240.372 2.013 10 0 BEAEHN CN1CCN(CCCF)[C@@H](c2ccccc2)C1 ZINC000246017825 388002187 /nfs/dbraw/zinc/00/21/87/388002187.db2.gz ZWLFCUKLJUCXSQ-CQSZACIVSA-N 0 3 236.334 2.335 10 0 BEAEHN C[C@@H]1CS[C@H]([C@@H]2CCCSC2)N1 ZINC000306423126 388096347 /nfs/dbraw/zinc/09/63/47/388096347.db2.gz FDXOBJHBCMHHAE-IWSPIJDZSA-N 0 3 203.376 2.181 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnn(CC)c1 ZINC000165054450 388250307 /nfs/dbraw/zinc/25/03/07/388250307.db2.gz OIBXBRPUYHJSRK-VXGBXAGGSA-N 0 3 207.321 2.181 10 0 BEAEHN Cc1ccoc1CNC[C@@H](O)C(C)(C)C ZINC000164562234 388240083 /nfs/dbraw/zinc/24/00/83/388240083.db2.gz AZGWYSCYKGHOOW-LLVKDONJSA-N 0 3 211.305 2.085 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnn(CC(F)F)c1 ZINC000292761134 388383388 /nfs/dbraw/zinc/38/33/88/388383388.db2.gz RYXAIYDLCSUGRW-GHMZBOCLSA-N 0 3 243.301 2.426 10 0 BEAEHN c1nc2c([nH]1)[C@H](c1c[nH]c3ccccc31)NCC2 ZINC000067473242 388406130 /nfs/dbraw/zinc/40/61/30/388406130.db2.gz UZNPQKRCDLLMCU-ZDUSSCGKSA-N 0 3 238.294 2.126 10 0 BEAEHN CC1CC(C(=O)Nc2cccc(CN)c2)C1 ZINC000646578232 388387499 /nfs/dbraw/zinc/38/74/99/388387499.db2.gz RZVJQYFJFPLJIJ-UHFFFAOYSA-N 0 3 218.300 2.130 10 0 BEAEHN Cc1cnn(CCNCc2cccc(C)c2F)c1 ZINC000294992855 388406498 /nfs/dbraw/zinc/40/64/98/388406498.db2.gz HRUNTAPGYRKORQ-UHFFFAOYSA-N 0 3 247.317 2.429 10 0 BEAEHN C[C@H]1[C@@H](O)CCCN1Cc1cccc(F)c1 ZINC000295011780 388406860 /nfs/dbraw/zinc/40/68/60/388406860.db2.gz MDFMFKSYUDHZBF-GWCFXTLKSA-N 0 3 223.291 2.171 10 0 BEAEHN c1ccc2c(c1)nnn2CNC1CCCCC1 ZINC000004712796 256763530 /nfs/dbraw/zinc/76/35/30/256763530.db2.gz FUROVGCSPHYQAH-UHFFFAOYSA-N 0 3 230.315 2.311 10 0 BEAEHN CCC[C@H](C(=O)N(C)C[C@H](C)CC)N(C)C ZINC000178658687 388502376 /nfs/dbraw/zinc/50/23/76/388502376.db2.gz UWICGRZRBHIKJF-VXGBXAGGSA-N 0 3 228.380 2.221 10 0 BEAEHN CCC[C@@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000187681983 388610052 /nfs/dbraw/zinc/61/00/52/388610052.db2.gz SDJRYDGGPMWAIU-ZIAGYGMSSA-N 0 3 242.407 2.218 10 0 BEAEHN C[C@@]1(c2cccs2)C[C@H]1CNC1COC1 ZINC000367908451 388567395 /nfs/dbraw/zinc/56/73/95/388567395.db2.gz BMPLEGDRBBYSHL-JOYOIKCWSA-N 0 3 223.341 2.014 10 0 BEAEHN C[C@@H]1C[C@@H](NCC[C@@H]2CCCO2)c2nccn21 ZINC000379066996 388580114 /nfs/dbraw/zinc/58/01/14/388580114.db2.gz WTJAWCNWBBGQJP-GRYCIOLGSA-N 0 3 235.331 2.048 10 0 BEAEHN CCn1c(C)nnc1CN[C@@H]1CCCC1(C)C ZINC000191851305 388671429 /nfs/dbraw/zinc/67/14/29/388671429.db2.gz RSFKRTHYJJUMTD-LLVKDONJSA-N 0 3 236.363 2.275 10 0 BEAEHN CCCC(=O)N[C@@H]1CCCN([C@H](C)CC)C1 ZINC000248373498 388676098 /nfs/dbraw/zinc/67/60/98/388676098.db2.gz JJMCZALUEREYPX-VXGBXAGGSA-N 0 3 226.364 2.166 10 0 BEAEHN COc1cc(F)c([C@@H](N)CCF)cc1OC ZINC000575439730 388629924 /nfs/dbraw/zinc/62/99/24/388629924.db2.gz VJNGZIHOLVGCFG-VIFPVBQESA-N 0 3 231.242 2.202 10 0 BEAEHN Cc1ncsc1[C@@H](N)[C@@H]1CCSC1 ZINC000575453830 388752955 /nfs/dbraw/zinc/75/29/55/388752955.db2.gz IUCFNJLLDHWSLK-SFYZADRCSA-N 0 3 214.359 2.204 10 0 BEAEHN CCN(C)Cc1cccc(OCCOC)c1 ZINC000126260512 388691996 /nfs/dbraw/zinc/69/19/96/388691996.db2.gz KDGXSWYMFSNCSM-UHFFFAOYSA-N 0 3 223.316 2.164 10 0 BEAEHN Cc1cccc(CN[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000127301252 388719773 /nfs/dbraw/zinc/71/97/73/388719773.db2.gz NUGHEASZROADOM-GXTWGEPZSA-N 0 3 245.370 2.105 10 0 BEAEHN Cc1ncsc1[C@]1(N)CCCSC1 ZINC000575463515 388830591 /nfs/dbraw/zinc/83/05/91/388830591.db2.gz RRNSRVYBCHXXFX-VIFPVBQESA-N 0 3 214.359 2.133 10 0 BEAEHN CCCc1ccccc1N1CCNCC1 ZINC000026002737 132220008 /nfs/dbraw/zinc/22/00/08/132220008.db2.gz FHIDPEUFJOUCRS-UHFFFAOYSA-N 0 3 204.317 2.049 10 0 BEAEHN Cc1cccc(N2CCN[C@H](C)C2)c1C ZINC000016944740 132323419 /nfs/dbraw/zinc/32/34/19/132323419.db2.gz CLTFZWGLPPPSLP-LLVKDONJSA-N 0 3 204.317 2.102 10 0 BEAEHN CCc1ccccc1N1CCN[C@@H](C)C1 ZINC000016944699 132323421 /nfs/dbraw/zinc/32/34/21/132323421.db2.gz MKKFSOBJPUSXMR-NSHDSACASA-N 0 3 204.317 2.047 10 0 BEAEHN c1cc2cccc(N3CCNCC3)c2s1 ZINC000013741465 132322274 /nfs/dbraw/zinc/32/22/74/132322274.db2.gz KAIYEAVSYUNYRS-UHFFFAOYSA-N 0 3 218.325 2.311 10 0 BEAEHN C[C@@H](N)c1c(F)cccc1N1CCOC[C@@H]1C ZINC000035776796 132339451 /nfs/dbraw/zinc/33/94/51/132339451.db2.gz BZIGBVYMZDKONY-VHSXEESVSA-N 0 3 238.306 2.071 10 0 BEAEHN CC[C@H]1CCCN(c2ncccc2CN)C1 ZINC000036168555 132340185 /nfs/dbraw/zinc/34/01/85/132340185.db2.gz KBZNRUHVFRRQQX-NSHDSACASA-N 0 3 219.332 2.167 10 0 BEAEHN NCc1ccc(Cl)cc1N1CCSCC1 ZINC000062786799 132388705 /nfs/dbraw/zinc/38/87/05/132388705.db2.gz WESUFOJRKZOXRE-UHFFFAOYSA-N 0 3 242.775 2.352 10 0 BEAEHN OC1CC(CNCc2ccc(F)cc2Cl)C1 ZINC000084449459 322836003 /nfs/dbraw/zinc/83/60/03/322836003.db2.gz IAMGPBRMMNYJTD-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN Cc1ccc(N2CCN[C@H](C)C2)c(C)c1 ZINC000016944748 132323639 /nfs/dbraw/zinc/32/36/39/132323639.db2.gz TVUHNTABQMFNFU-GFCCVEGCSA-N 0 3 204.317 2.102 10 0 BEAEHN C[C@H]1CN(c2cccc(Cl)c2CN)CCO1 ZINC000020469611 132331776 /nfs/dbraw/zinc/33/17/76/132331776.db2.gz DXWNZBCEBUIFIN-VIFPVBQESA-N 0 3 240.734 2.024 10 0 BEAEHN CC[C@@H]1CNCCN1c1ccc(F)c(F)c1 ZINC000034633013 132336824 /nfs/dbraw/zinc/33/68/24/132336824.db2.gz WJGWDBUQGYXBAG-SECBINFHSA-N 0 3 226.270 2.153 10 0 BEAEHN c1ccc(N2CCN(C3CCC3)CC2)cc1 ZINC000035635555 132338849 /nfs/dbraw/zinc/33/88/49/132338849.db2.gz SUBIUPDHPUVLDD-UHFFFAOYSA-N 0 3 216.328 2.361 10 0 BEAEHN C[C@H]1CNCCN1c1ccccc1Cl ZINC000035882206 132340050 /nfs/dbraw/zinc/34/00/50/132340050.db2.gz FWVMIKAOFFJLOT-VIFPVBQESA-N 0 3 210.708 2.138 10 0 BEAEHN CN1c2ccccc2[C@H](NCC2CCC2)CC1=O ZINC000037253897 132344140 /nfs/dbraw/zinc/34/41/40/132344140.db2.gz MIORZEQWTYBITF-CYBMUJFWSA-N 0 3 244.338 2.484 10 0 BEAEHN CC(C)c1cccc(N2CCNCC2)c1 ZINC000037408733 132344154 /nfs/dbraw/zinc/34/41/54/132344154.db2.gz JSUGMCBUCXRCMG-UHFFFAOYSA-N 0 3 204.317 2.220 10 0 BEAEHN Clc1ccc2ccnc(N3CCNCC3)c2c1 ZINC000038339982 132346077 /nfs/dbraw/zinc/34/60/77/132346077.db2.gz BVVJBQUZDKQNLH-UHFFFAOYSA-N 0 3 247.729 2.298 10 0 BEAEHN C[C@@H]1[C@@H](C)CCCN1c1cccc(CN)n1 ZINC000051396015 132360163 /nfs/dbraw/zinc/36/01/63/132360163.db2.gz WXBIPCFVUGXCIV-WDEREUQCSA-N 0 3 219.332 2.165 10 0 BEAEHN C[C@@H]1C[C@@H](C)CN(c2ccnc(CN)c2)C1 ZINC000051396430 132360205 /nfs/dbraw/zinc/36/02/05/132360205.db2.gz BWNPSHPLZLDTET-GHMZBOCLSA-N 0 3 219.332 2.023 10 0 BEAEHN C[C@H]1CCCCN1c1ccc(CNC2CC2)nn1 ZINC000051399465 132360652 /nfs/dbraw/zinc/36/06/52/132360652.db2.gz AREDQFRQQFUQNO-NSHDSACASA-N 0 3 246.358 2.107 10 0 BEAEHN c1cc(CNC2CC2)cc(N2CCCCC2)n1 ZINC000051436052 132360983 /nfs/dbraw/zinc/36/09/83/132360983.db2.gz OOTMOFVHXULUEM-UHFFFAOYSA-N 0 3 231.343 2.324 10 0 BEAEHN C[C@H]1CN(c2cnc3ccccc3c2)CCN1 ZINC000054348190 132364089 /nfs/dbraw/zinc/36/40/89/132364089.db2.gz OVEDHFPYSBWJQY-NSHDSACASA-N 0 3 227.311 2.033 10 0 BEAEHN Cc1ccc(N)cc1N1CCN(CC(C)C)CC1 ZINC000055085640 132365298 /nfs/dbraw/zinc/36/52/98/132365298.db2.gz BOOXSGFCCSCRGY-UHFFFAOYSA-N 0 3 247.386 2.355 10 0 BEAEHN C[C@@H]1CN(c2c(F)cccc2F)[C@@H](C)CN1 ZINC000071532812 132393668 /nfs/dbraw/zinc/39/36/68/132393668.db2.gz OWGDIIQFZOJFFN-BDAKNGLRSA-N 0 3 226.270 2.151 10 0 BEAEHN C[C@H](CN1CC[C@H](O)C(C)(C)C1)C(F)(F)F ZINC000336180659 134119575 /nfs/dbraw/zinc/11/95/75/134119575.db2.gz BLNOHFNAAQJUNS-BDAKNGLRSA-N 0 3 239.281 2.278 10 0 BEAEHN CC(C)N1CCN(C[C@@H]2CCCC2(F)F)CC1 ZINC000336204175 134131566 /nfs/dbraw/zinc/13/15/66/134131566.db2.gz OXRZCZKZWCVDOT-LBPRGKRZSA-N 0 3 246.345 2.448 10 0 BEAEHN CC[C@@H](CC(=O)N1CC[C@@H](N(C)C)C1)C(C)C ZINC000171508570 134258762 /nfs/dbraw/zinc/25/87/62/134258762.db2.gz UXLZFGKFJXJLNT-QWHCGFSZSA-N 0 3 240.391 2.221 10 0 BEAEHN O[C@H]1c2ccccc2C[C@H]1NCc1ccco1 ZINC000172067944 134261467 /nfs/dbraw/zinc/26/14/67/134261467.db2.gz WAJSTJLIJDYLQW-KGLIPLIRSA-N 0 3 229.279 2.028 10 0 BEAEHN CCC(CC)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000176974528 134295426 /nfs/dbraw/zinc/29/54/26/134295426.db2.gz XVVVAOLIFXSLFZ-ZDUSSCGKSA-N 0 3 240.391 2.365 10 0 BEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCF ZINC000177893637 134303840 /nfs/dbraw/zinc/30/38/40/134303840.db2.gz UYUMKMUOCUSSAH-WOPDTQHZSA-N 0 3 243.322 2.152 10 0 BEAEHN CCC[C@H](C(=O)N1CCCC2(CC2)C1)N(C)C ZINC000184129170 134359140 /nfs/dbraw/zinc/35/91/40/134359140.db2.gz ALFDZEZKFHYOJU-GFCCVEGCSA-N 0 3 238.375 2.119 10 0 BEAEHN Cc1cncc(CN2CCC[C@H]2CCCO)c1 ZINC000227301354 134377775 /nfs/dbraw/zinc/37/77/75/134377775.db2.gz NBWKPSRZSMOQFQ-AWEZNQCLSA-N 0 3 234.343 2.127 10 0 BEAEHN CCCn1ccc(CN[C@H](C)COCC)c1 ZINC000085606070 134442883 /nfs/dbraw/zinc/44/28/83/134442883.db2.gz GKSZYQBXQHMJTN-GFCCVEGCSA-N 0 3 224.348 2.413 10 0 BEAEHN Cc1nccc(CNC[C@@H](C)c2nccs2)n1 ZINC000235458124 134593134 /nfs/dbraw/zinc/59/31/34/134593134.db2.gz ONHHQVWPQADMAQ-SECBINFHSA-N 0 3 248.355 2.135 10 0 BEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCF ZINC000247304653 134978216 /nfs/dbraw/zinc/97/82/16/134978216.db2.gz UYUMKMUOCUSSAH-UTUOFQBUSA-N 0 3 243.322 2.152 10 0 BEAEHN Cc1csc([C@H]2CCCN(C[C@H](C)O)C2)n1 ZINC000248706105 135019153 /nfs/dbraw/zinc/01/91/53/135019153.db2.gz ANESQSSBBBQUOF-QWRGUYRKSA-N 0 3 240.372 2.012 10 0 BEAEHN C[C@@H]1CC[C@H](CN2CCO[C@@H]3CCCC[C@@H]32)O1 ZINC000248955725 135027784 /nfs/dbraw/zinc/02/77/84/135027784.db2.gz OLIOHSDDAJFBGD-YIYPIFLZSA-N 0 3 239.359 2.197 10 0 BEAEHN CC(C)(C)[C@H](O)CN1CCO[C@H]2CCCC[C@H]21 ZINC000250728369 135058424 /nfs/dbraw/zinc/05/84/24/135058424.db2.gz XZTVKXLLPWCRJM-FRRDWIJNSA-N 0 3 241.375 2.037 10 0 BEAEHN C1OCC1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000087194766 135111333 /nfs/dbraw/zinc/11/13/33/135111333.db2.gz PZGKUEKQUDFGAE-TUAOUCFPSA-N 0 3 209.333 2.334 10 0 BEAEHN CCOC(=O)[C@H]1CCCCCN1CC1CC1 ZINC000259976650 135146395 /nfs/dbraw/zinc/14/63/95/135146395.db2.gz KJDULXCGUGFVAR-GFCCVEGCSA-N 0 3 225.332 2.204 10 0 BEAEHN CCc1nnc(CN[C@H]2CCC[C@@H]2CC)n1C ZINC000348149136 136039758 /nfs/dbraw/zinc/03/97/58/136039758.db2.gz IZAZXXNNNJQIIT-QWRGUYRKSA-N 0 3 236.363 2.046 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1ccc(C)o1 ZINC000119403246 171177190 /nfs/dbraw/zinc/17/71/90/171177190.db2.gz XDRUIHBRHAIEKF-GFCCVEGCSA-N 0 3 211.305 2.181 10 0 BEAEHN CSCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000178871456 397850970 /nfs/dbraw/zinc/85/09/70/397850970.db2.gz XBJJQJDDBUUVJN-NSHDSACASA-N 0 3 225.361 2.300 10 0 BEAEHN C[C@@H]1CSC(N[C@H]2CC23CCCC3)=N1 ZINC000306884125 397935963 /nfs/dbraw/zinc/93/59/63/397935963.db2.gz PZDUGKCBZDHOMZ-BDAKNGLRSA-N 0 3 210.346 2.400 10 0 BEAEHN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000020551069 397966494 /nfs/dbraw/zinc/96/64/94/397966494.db2.gz ZCXJXOMGGOGZHR-KOLCDFICSA-N 0 3 239.290 2.361 10 0 BEAEHN N[C@@]1(c2cscn2)CCCSCC1 ZINC000575460613 397944330 /nfs/dbraw/zinc/94/43/30/397944330.db2.gz HYHSCUUOAAKQAZ-VIFPVBQESA-N 0 3 214.359 2.214 10 0 BEAEHN C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000020551071 397966669 /nfs/dbraw/zinc/96/66/69/397966669.db2.gz ZCXJXOMGGOGZHR-ONGXEEELSA-N 0 3 239.290 2.361 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000054073765 398025253 /nfs/dbraw/zinc/02/52/53/398025253.db2.gz WWNARNAQJQKVHS-TZMCWYRMSA-N 0 3 248.370 2.498 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnc(OC)s1 ZINC000389738853 398131180 /nfs/dbraw/zinc/13/11/80/398131180.db2.gz VFNILYXJJLULSH-PSASIEDQSA-N 0 3 226.345 2.430 10 0 BEAEHN Cc1ccnc(N2CCNC(C)(C)C2)c1Cl ZINC000334976820 398123150 /nfs/dbraw/zinc/12/31/50/398123150.db2.gz FYDDCVYHXUIDRO-UHFFFAOYSA-N 0 3 239.750 2.232 10 0 BEAEHN CC(C)NCc1sc(N(C)C)nc1Cl ZINC000045206300 167124320 /nfs/dbraw/zinc/12/43/20/167124320.db2.gz GVDJGAKFNCCADU-UHFFFAOYSA-N 0 3 233.768 2.361 10 0 BEAEHN CC(C)N[C@H](c1nccs1)[C@@H]1CCOC1 ZINC000041061537 167139537 /nfs/dbraw/zinc/13/95/37/167139537.db2.gz QPOUZYMXHRVKSY-ZJUUUORDSA-N 0 3 226.345 2.219 10 0 BEAEHN CC(C)N[C@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976293 167143165 /nfs/dbraw/zinc/14/31/65/167143165.db2.gz LYWXYOKRHNBEAV-MEDUHNTESA-N 0 3 241.331 2.376 10 0 BEAEHN CC[C@H](NCc1cncs1)[C@H]1CCCO1 ZINC000119665309 487559958 /nfs/dbraw/zinc/55/99/58/487559958.db2.gz REQYKAASJGJMEG-WDEREUQCSA-N 0 3 226.345 2.190 10 0 BEAEHN CC(C)OCCO[C@@H](CN)c1cccc(F)c1 ZINC000042973787 167249716 /nfs/dbraw/zinc/24/97/16/167249716.db2.gz ZLJLPNSAEIWRAY-ZDUSSCGKSA-N 0 3 241.306 2.267 10 0 BEAEHN Cc1nc(C)c([C@H](C)NC2CC(CO)C2)s1 ZINC000658350098 487590536 /nfs/dbraw/zinc/59/05/36/487590536.db2.gz AXPPYGGGFQKDIM-PUSIOWJLSA-N 0 3 240.372 2.181 10 0 BEAEHN CC(C)SCCN1CCN2CCCC[C@@H]2C1 ZINC000369503233 167325705 /nfs/dbraw/zinc/32/57/05/167325705.db2.gz JORAUTCGMMKPJB-CYBMUJFWSA-N 0 3 242.432 2.298 10 0 BEAEHN CC(C)[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662347761 409664577 /nfs/dbraw/zinc/66/45/77/409664577.db2.gz NACIENGGJXWYMC-JTQLQIEISA-N 0 3 232.327 2.064 10 0 BEAEHN Brc1csc([C@H]2CNCO2)c1 ZINC000082547307 166105933 /nfs/dbraw/zinc/10/59/33/166105933.db2.gz WBOAHZAYHKAJGJ-ZCFIWIBFSA-N 0 3 234.118 2.129 10 0 BEAEHN CC(C)CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052554681 166767487 /nfs/dbraw/zinc/76/74/87/166767487.db2.gz KCCMFRHEIRLBAS-AWEZNQCLSA-N 0 3 248.370 2.452 10 0 BEAEHN Cc1ccccc1-n1cc(CNC2CC2)cn1 ZINC000040932316 410897978 /nfs/dbraw/zinc/89/79/78/410897978.db2.gz PIRGBUPJTLASKH-UHFFFAOYSA-N 0 3 227.311 2.433 10 0 BEAEHN CC(C)COC1CCN(C[C@@H]2CCCO2)CC1 ZINC000122787108 167023307 /nfs/dbraw/zinc/02/33/07/167023307.db2.gz DHJFTNVDNKCQLN-AWEZNQCLSA-N 0 3 241.375 2.302 10 0 BEAEHN CC(C)N[C@@H](CCO)c1ccnc(Cl)c1 ZINC000095088297 167131968 /nfs/dbraw/zinc/13/19/68/167131968.db2.gz JVXWGFJRZQFFSQ-JTQLQIEISA-N 0 3 228.723 2.157 10 0 BEAEHN CC(C)[C@@H](C)NCc1cnn(-c2ccccc2)n1 ZINC000020306288 167383368 /nfs/dbraw/zinc/38/33/68/167383368.db2.gz YPOCQUYHRNOSLH-GFCCVEGCSA-N 0 3 244.342 2.401 10 0 BEAEHN CC(C)[C@@H](C)N[C@H]1COc2cc(O)ccc21 ZINC000020522821 167385469 /nfs/dbraw/zinc/38/54/69/167385469.db2.gz IXONMFKIKABNPL-SKDRFNHKSA-N 0 3 221.300 2.460 10 0 BEAEHN CC(C)[C@@H](CCO)N[C@H](C)c1cncs1 ZINC000123589724 167392566 /nfs/dbraw/zinc/39/25/66/167392566.db2.gz TUXOTGHOWATMMJ-NXEZZACHSA-N 0 3 228.361 2.201 10 0 BEAEHN CCC[C@H](N)C(=O)N(C)CCC(C)(C)C ZINC000399796421 411065122 /nfs/dbraw/zinc/06/51/22/411065122.db2.gz UAGBAEKATFRSRC-JTQLQIEISA-N 0 3 214.353 2.008 10 0 BEAEHN CC[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(C)C ZINC000042592684 411022009 /nfs/dbraw/zinc/02/20/09/411022009.db2.gz BFBZNUKQMRCLCP-ZIAGYGMSSA-N 0 3 248.370 2.107 10 0 BEAEHN Cc1cnc([C@H](C)N[C@H]2CCN(C)[C@H](C)C2)o1 ZINC000300711949 411189171 /nfs/dbraw/zinc/18/91/71/411189171.db2.gz CFEFUFSYDDKCEY-USWWRNFRSA-N 0 3 237.347 2.116 10 0 BEAEHN C[C@H]1CC[C@@H](NCc2ccccn2)CS1 ZINC000655683269 411224122 /nfs/dbraw/zinc/22/41/22/411224122.db2.gz BRNPHGSQRNCDSB-CMPLNLGQSA-N 0 3 222.357 2.455 10 0 BEAEHN Cc1cc([C@H](C)NC2CC(CO)C2)cs1 ZINC000658351919 411354786 /nfs/dbraw/zinc/35/47/86/411354786.db2.gz BLJMQCMEGWRCJS-BMQDGWLCSA-N 0 3 225.357 2.478 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1cccc(F)c1F ZINC000658352741 411354927 /nfs/dbraw/zinc/35/49/27/411354927.db2.gz AFXSDFWGRYNOBI-IDKOKCKLSA-N 0 3 241.281 2.386 10 0 BEAEHN CC1CCN([C@@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044114834 168185650 /nfs/dbraw/zinc/18/56/50/168185650.db2.gz GEBPLKJJNJTQIB-HIFRSBDPSA-N 0 3 247.338 2.213 10 0 BEAEHN CC1CCN([C@@H]2COc3ccccc3[C@H]2O)CC1 ZINC000044114840 168186161 /nfs/dbraw/zinc/18/61/61/168186161.db2.gz GEBPLKJJNJTQIB-UKRRQHHQSA-N 0 3 247.338 2.213 10 0 BEAEHN CCC(=O)CCCN1CCC[C@@H]1c1cnn(C)c1 ZINC000310793385 168198288 /nfs/dbraw/zinc/19/82/88/168198288.db2.gz FACZJHXJFARHKW-CQSZACIVSA-N 0 3 249.358 2.316 10 0 BEAEHN CCN1CCCOC[C@H]1c1ccc(N)cc1 ZINC000616648953 411410974 /nfs/dbraw/zinc/41/09/74/411410974.db2.gz HWULXWYOWBWEDF-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2cnco2)CC1 ZINC000616687281 411414948 /nfs/dbraw/zinc/41/49/48/411414948.db2.gz RUJIHGVXBXKRIW-JTQLQIEISA-N 0 3 224.304 2.237 10 0 BEAEHN Cc1cc(C(C)C)nc(NC2CCN(C)CC2)n1 ZINC000122362934 411430113 /nfs/dbraw/zinc/43/01/13/411430113.db2.gz HYZSDVRQWCHQCK-UHFFFAOYSA-N 0 3 248.374 2.415 10 0 BEAEHN CCN1CC[C@H](N[C@@H]2CCCc3occc32)C1 ZINC000328380141 170021870 /nfs/dbraw/zinc/02/18/70/170021870.db2.gz VAZMPTJXRHWWDL-WCQYABFASA-N 0 3 234.343 2.341 10 0 BEAEHN CCN1C[C@H](C)NC[C@@H]1c1cccs1 ZINC000083346379 170035021 /nfs/dbraw/zinc/03/50/21/170035021.db2.gz FZGMRMMTWOPYJU-VHSXEESVSA-N 0 3 210.346 2.103 10 0 BEAEHN CCNC(=O)CN[C@@H](C)c1cc(C)ccc1C ZINC000035138922 170064870 /nfs/dbraw/zinc/06/48/70/170064870.db2.gz SOIFBFXEYZXGCO-LBPRGKRZSA-N 0 3 234.343 2.090 10 0 BEAEHN CCNC(=O)CN[C@@H](C)c1ccc(C)cc1C ZINC000036780428 170064934 /nfs/dbraw/zinc/06/49/34/170064934.db2.gz MSESWIDICVPPRX-LBPRGKRZSA-N 0 3 234.343 2.090 10 0 BEAEHN Cc1nc(CN[C@@H]2CCC[C@H]3C[C@H]32)[nH]c1C ZINC000657500485 411538245 /nfs/dbraw/zinc/53/82/45/411538245.db2.gz OOERQWWXPLRGPJ-QJPTWQEYSA-N 0 3 219.332 2.305 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1cccc(OC)c1 ZINC000061287786 170107213 /nfs/dbraw/zinc/10/72/13/170107213.db2.gz RECAIWSVFNZNAN-UHFFFAOYSA-N 0 3 236.315 2.022 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1c(F)cccc1F ZINC000061288525 170107635 /nfs/dbraw/zinc/10/76/35/170107635.db2.gz OTGXELJQPPWYAR-UHFFFAOYSA-N 0 3 242.269 2.291 10 0 BEAEHN CCNC1(c2nc(C)c(C)s2)CCOCC1 ZINC000041061128 170108254 /nfs/dbraw/zinc/10/82/54/170108254.db2.gz ZDXTWXIVQWSMNY-UHFFFAOYSA-N 0 3 240.372 2.375 10 0 BEAEHN CCNCc1c(N(CC)CC)nc2ccccn21 ZINC000035433879 170124044 /nfs/dbraw/zinc/12/40/44/170124044.db2.gz UJAGNYKKHGGOAC-UHFFFAOYSA-N 0 3 246.358 2.290 10 0 BEAEHN CCNCc1c(C)nn(C(F)F)c1C ZINC000040544396 170124746 /nfs/dbraw/zinc/12/47/46/170124746.db2.gz ZRAJMAVCZFOHME-UHFFFAOYSA-N 0 3 203.236 2.005 10 0 BEAEHN CCNCc1c[nH]c(-c2ccc(F)c(F)c2)n1 ZINC000062821063 170124790 /nfs/dbraw/zinc/12/47/90/170124790.db2.gz DHJYLQOHTSZWRD-UHFFFAOYSA-N 0 3 237.253 2.464 10 0 BEAEHN CCNCc1cc(-c2ccccc2C)n[nH]1 ZINC000050479046 170124877 /nfs/dbraw/zinc/12/48/77/170124877.db2.gz BRGMGBADMRQESI-UHFFFAOYSA-N 0 3 215.300 2.495 10 0 BEAEHN CCNCc1cc2ccccc2c(N(C)C)n1 ZINC000051436758 170126610 /nfs/dbraw/zinc/12/66/10/170126610.db2.gz HLMUJMPDRXJJDF-UHFFFAOYSA-N 0 3 229.327 2.410 10 0 BEAEHN CCNCc1ccc(Oc2ccc(C)nc2)nn1 ZINC000051522017 170127424 /nfs/dbraw/zinc/12/74/24/170127424.db2.gz LPQDELKWPIYIBC-UHFFFAOYSA-N 0 3 244.298 2.082 10 0 BEAEHN CCNCc1cnc(Cc2ccccc2F)nc1 ZINC000054855759 170130646 /nfs/dbraw/zinc/13/06/46/170130646.db2.gz IRVGMXVQCDJQTG-UHFFFAOYSA-N 0 3 245.301 2.316 10 0 BEAEHN CCN[C@@H](CC)C(=O)c1ccc(OC)c(F)c1 ZINC000071549325 170143829 /nfs/dbraw/zinc/14/38/29/170143829.db2.gz PWRWDUBYEHIPPC-NSHDSACASA-N 0 3 239.290 2.405 10 0 BEAEHN CCN[C@@H](CO)c1ccc(OCC)c(Cl)c1 ZINC000071558385 170145404 /nfs/dbraw/zinc/14/54/04/170145404.db2.gz VWCVCBNFUXSBTP-NSHDSACASA-N 0 3 243.734 2.382 10 0 BEAEHN CCN[C@@H](c1cccnc1)c1ccc(C)nc1 ZINC000062949919 170148214 /nfs/dbraw/zinc/14/82/14/170148214.db2.gz SOFQSBCSJOFBAB-AWEZNQCLSA-N 0 3 227.311 2.484 10 0 BEAEHN CCN[C@@H](c1nc(C)c(C)s1)[C@@H]1CCOC1 ZINC000041061108 170150125 /nfs/dbraw/zinc/15/01/25/170150125.db2.gz NWGPQXKLACXNMF-GHMZBOCLSA-N 0 3 240.372 2.447 10 0 BEAEHN CCN[C@@H]1CCN(CCC2CCCCC2)C1=O ZINC000049648877 170151574 /nfs/dbraw/zinc/15/15/74/170151574.db2.gz ZNIIKXAUISQCTQ-CYBMUJFWSA-N 0 3 238.375 2.167 10 0 BEAEHN CCN[C@@H]1COc2c1cc(C)cc2OC ZINC000035652544 170154151 /nfs/dbraw/zinc/15/41/51/170154151.db2.gz VXFMZOVWYGBFKN-SNVBAGLBSA-N 0 3 207.273 2.047 10 0 BEAEHN CCN[C@@H]1c2cc(OC)ccc2O[C@@H]1C ZINC000043633589 170154764 /nfs/dbraw/zinc/15/47/64/170154764.db2.gz UDCJVHJGFANVAR-PELKAZGASA-N 0 3 207.273 2.127 10 0 BEAEHN CCN[C@@](C)(CO)c1ccc(F)c(Cl)c1 ZINC000038120276 170155352 /nfs/dbraw/zinc/15/53/52/170155352.db2.gz CDSFFITXCCMFDQ-NSHDSACASA-N 0 3 231.698 2.296 10 0 BEAEHN CCN[C@H](C)c1cnc(N2CCCC2)nc1C ZINC000054962917 170159837 /nfs/dbraw/zinc/15/98/37/170159837.db2.gz VKPRYNZUOGZGQL-SNVBAGLBSA-N 0 3 234.347 2.056 10 0 BEAEHN CCN[C@H](C)c1nc2ccc(F)cc2n1C ZINC000062366602 170159968 /nfs/dbraw/zinc/15/99/68/170159968.db2.gz RXIRUUHAGYNVAT-MRVPVSSYSA-N 0 3 221.279 2.383 10 0 BEAEHN CCN[C@H](C)c1cnc(N2CCCC2)s1 ZINC000054900007 170160432 /nfs/dbraw/zinc/16/04/32/170160432.db2.gz HSUXAEJHENMAHH-SECBINFHSA-N 0 3 225.361 2.414 10 0 BEAEHN CCN[C@H](CO)c1cc(Cl)ccc1F ZINC000083264875 170162489 /nfs/dbraw/zinc/16/24/89/170162489.db2.gz CWIJQQMNOKFVCW-SNVBAGLBSA-N 0 3 217.671 2.122 10 0 BEAEHN CCN[C@H](c1ccc(C)cc1)[C@H]1COCCO1 ZINC000055299920 170163082 /nfs/dbraw/zinc/16/30/82/170163082.db2.gz BQQSAMNZRBMDAC-ZIAGYGMSSA-N 0 3 235.327 2.061 10 0 BEAEHN CCN[C@H](c1ccc(C)s1)[C@H]1COCCO1 ZINC000055299833 170163293 /nfs/dbraw/zinc/16/32/93/170163293.db2.gz YVXOFIUWMWOAIO-PWSUYJOCSA-N 0 3 241.356 2.123 10 0 BEAEHN CCN[C@@H](c1cccc(C)c1)c1cncnc1 ZINC000052887185 170164719 /nfs/dbraw/zinc/16/47/19/170164719.db2.gz LGSABYZDGKIJTK-AWEZNQCLSA-N 0 3 227.311 2.484 10 0 BEAEHN CCN[C@H](c1ccco1)[C@H]1CCCOC1 ZINC000062234556 170165000 /nfs/dbraw/zinc/16/50/00/170165000.db2.gz UGRFARVEKRSUDG-JQWIXIFHSA-N 0 3 209.289 2.357 10 0 BEAEHN CCN[C@H]1CCCOc2cc3c(cc21)OCO3 ZINC000035654440 170166414 /nfs/dbraw/zinc/16/64/14/170166414.db2.gz BHGVORYERMPAIL-JTQLQIEISA-N 0 3 235.283 2.239 10 0 BEAEHN CCN[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000049648536 170167636 /nfs/dbraw/zinc/16/76/36/170167636.db2.gz GHQFUGGGPYSNLC-JTQLQIEISA-N 0 3 238.718 2.055 10 0 BEAEHN CCN[C@H]1CCN([C@H](C)C2CCCCC2)C1=O ZINC000052340304 170167663 /nfs/dbraw/zinc/16/76/63/170167663.db2.gz GWCOSLTZKUWRCM-YPMHNXCESA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@H]1CCN([C@H](C)c2ccccc2C)C1=O ZINC000049659971 170167685 /nfs/dbraw/zinc/16/76/85/170167685.db2.gz UZCUWDBAAICPHK-OCCSQVGLSA-N 0 3 246.354 2.266 10 0 BEAEHN CCN[C@H]1CCN([C@H](C)c2cccs2)C1=O ZINC000049648758 170167732 /nfs/dbraw/zinc/16/77/32/170167732.db2.gz VZOADVKOOATAHI-ZJUUUORDSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@H]1COc2ccc(OCC)cc21 ZINC000035654096 170168536 /nfs/dbraw/zinc/16/85/36/170168536.db2.gz RZAZDTISVWETNW-NSHDSACASA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@](C)(C(N)=O)c1ccc2ccccc2c1 ZINC000037447671 170170587 /nfs/dbraw/zinc/17/05/87/170170587.db2.gz FEJRXROUHRGZMR-HNNXBMFYSA-N 0 3 242.322 2.150 10 0 BEAEHN CCOC(=O)CCNCc1cccc(Cl)c1 ZINC000041570495 170209534 /nfs/dbraw/zinc/20/95/34/170209534.db2.gz YMFIWHDGNLCBSU-UHFFFAOYSA-N 0 3 241.718 2.383 10 0 BEAEHN CCOC(=O)CCNCc1ccc(C)s1 ZINC000045686639 170209571 /nfs/dbraw/zinc/20/95/71/170209571.db2.gz KWTASKPJLTUWTF-UHFFFAOYSA-N 0 3 227.329 2.099 10 0 BEAEHN CCOC(=O)C[C@@H]1NCCc2ccc(C)cc21 ZINC000049453868 170231899 /nfs/dbraw/zinc/23/18/99/170231899.db2.gz BWTFLVSPENULBC-ZDUSSCGKSA-N 0 3 233.311 2.135 10 0 BEAEHN CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@H]1N ZINC000032154106 170263376 /nfs/dbraw/zinc/26/33/76/170263376.db2.gz BTKAMSWFNMGLGM-UKRRQHHQSA-N 0 3 245.322 2.165 10 0 in-vitro BEAEHN CCOCCCn1c(CNC)nc2ccccc21 ZINC000040163799 170385514 /nfs/dbraw/zinc/38/55/14/170385514.db2.gz RMSXXHRKRPNQDB-UHFFFAOYSA-N 0 3 247.342 2.182 10 0 BEAEHN COc1cc(CNC2(C3CCC3)CCC2)on1 ZINC000660778914 411627219 /nfs/dbraw/zinc/62/72/19/411627219.db2.gz NPLGEKYZKCFBRN-UHFFFAOYSA-N 0 3 236.315 2.496 10 0 BEAEHN CCOCC[C@H](N)c1cc(F)ccc1F ZINC000104356880 170427315 /nfs/dbraw/zinc/42/73/15/170427315.db2.gz DWMTUGRGEGKOPS-NSHDSACASA-N 0 3 215.243 2.391 10 0 BEAEHN CCCc1nccnc1N[C@@H]1CCCN(CC)C1 ZINC000663414660 411652120 /nfs/dbraw/zinc/65/21/20/411652120.db2.gz HWDLYYWDDDBBSE-GFCCVEGCSA-N 0 3 248.374 2.325 10 0 BEAEHN CCOc1cccc([C@H]2CNC[C@H](C)O2)c1 ZINC000032013918 170586234 /nfs/dbraw/zinc/58/62/34/170586234.db2.gz RZTXXHGHJMLWET-GXFFZTMASA-N 0 3 221.300 2.135 10 0 BEAEHN CC[C@@H](C)[C@H](N)c1nnc(C)n1C(C)C ZINC000042030892 170796603 /nfs/dbraw/zinc/79/66/03/170796603.db2.gz FQMPABBMVMOZJU-SCZZXKLOSA-N 0 3 210.325 2.213 10 0 BEAEHN CC[C@@H](N)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500068 170863804 /nfs/dbraw/zinc/86/38/04/170863804.db2.gz RPESDXKOCXUVKU-SSDOTTSWSA-N 0 3 241.360 2.116 10 0 BEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccccc1C ZINC000036325921 171108155 /nfs/dbraw/zinc/10/81/55/171108155.db2.gz QDDXTNWVJVOVBC-HIFRSBDPSA-N 0 3 248.370 2.106 10 0 BEAEHN CC[C@@H]1Cc2nc(SC)sc2CN1 ZINC000039101734 171143088 /nfs/dbraw/zinc/14/30/88/171143088.db2.gz HLHIDSLWRFNLGX-ZCFIWIBFSA-N 0 3 214.359 2.289 10 0 BEAEHN CC[C@H](C)C(=O)Nc1cc(CN)ccc1C ZINC000050430664 171254723 /nfs/dbraw/zinc/25/47/23/171254723.db2.gz ZITDNCXJPPCMLI-VIFPVBQESA-N 0 3 220.316 2.438 10 0 BEAEHN CC[C@H](C)CNCc1cc(C(=O)OC)co1 ZINC000128693603 171286197 /nfs/dbraw/zinc/28/61/97/171286197.db2.gz QDPJQBCTKXKTAI-VIFPVBQESA-N 0 3 225.288 2.202 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1ccc(OC)cc1 ZINC000020036541 171338807 /nfs/dbraw/zinc/33/88/07/171338807.db2.gz VKLFUIJPMNVDKT-JTQLQIEISA-N 0 3 236.315 2.022 10 0 BEAEHN CC[C@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000037140708 171346488 /nfs/dbraw/zinc/34/64/88/171346488.db2.gz RICICBYIETXHDI-QWRGUYRKSA-N 0 3 236.363 2.454 10 0 BEAEHN CC[C@H](C)N[C@]1(C(N)=O)CCCc2ccccc21 ZINC000038065025 171349624 /nfs/dbraw/zinc/34/96/24/171349624.db2.gz GIXRPNDMHWECLK-XHDPSFHLSA-N 0 3 246.354 2.092 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nncn1-c1ccccc1 ZINC000019508785 171372248 /nfs/dbraw/zinc/37/22/48/171372248.db2.gz KZCUSOCGPITGQY-CMPLNLGQSA-N 0 3 230.315 2.313 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccnc1Cl ZINC000037019984 171372763 /nfs/dbraw/zinc/37/27/63/171372763.db2.gz QGGVJWOCNMYFGS-IONNQARKSA-N 0 3 241.722 2.047 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000042273529 171393386 /nfs/dbraw/zinc/39/33/86/171393386.db2.gz JMAZYJQNTUHYKK-RNJOBUHISA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(CCC(C)C)C1CC1 ZINC000037807027 171394359 /nfs/dbraw/zinc/39/43/59/171394359.db2.gz NKWRUBYGDZDYDX-AAEUAGOBSA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062188583 171395762 /nfs/dbraw/zinc/39/57/62/171395762.db2.gz QGKAQPITWJQPCQ-OBJOEFQTSA-N 0 3 248.370 2.107 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(O)c(C)c1 ZINC000122662184 171397001 /nfs/dbraw/zinc/39/70/01/171397001.db2.gz CUHYICUZTVGKBR-UFBFGSQYSA-N 0 3 236.315 2.013 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(F)ccc1F ZINC000019516451 171397036 /nfs/dbraw/zinc/39/70/36/171397036.db2.gz POANCSXYQCZPNT-CPCISQLKSA-N 0 3 242.269 2.277 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662712553 412279614 /nfs/dbraw/zinc/27/96/14/412279614.db2.gz GEXRKYIIOAMJEQ-QWHCGFSZSA-N 0 3 238.375 2.153 10 0 BEAEHN CCC[C@H](N)C(=O)N[C@H](C)C(C)(C)CC ZINC000662855913 412325891 /nfs/dbraw/zinc/32/58/91/412325891.db2.gz XALAEBUTSGWIJL-ZJUUUORDSA-N 0 3 214.353 2.055 10 0 BEAEHN CCc1nc([C@H]2CCCO2)sc1CNC ZINC000082423929 172008614 /nfs/dbraw/zinc/00/86/14/172008614.db2.gz HMMGEBRFKCLMIX-SECBINFHSA-N 0 3 226.345 2.276 10 0 BEAEHN CCc1ncc(CN[C@H]2CCC[C@@H](O)C2)s1 ZINC000037924638 172020421 /nfs/dbraw/zinc/02/04/21/172020421.db2.gz QTYMNYQWEUSXKS-VHSXEESVSA-N 0 3 240.372 2.099 10 0 BEAEHN CCc1ncc(CN[C@H](C)[C@H]2CCCO2)s1 ZINC000037923981 172020629 /nfs/dbraw/zinc/02/06/29/172020629.db2.gz SPOWXRVNTRRUTL-MWLCHTKSSA-N 0 3 240.372 2.363 10 0 BEAEHN CCc1nccn1[C@H](CN)c1cccs1 ZINC000043107468 172028931 /nfs/dbraw/zinc/02/89/31/172028931.db2.gz GVTVXXBWIKRIJT-SECBINFHSA-N 0 3 221.329 2.055 10 0 BEAEHN CCn1c(C)nnc1C1(N)CCCCCC1 ZINC000042029699 172139959 /nfs/dbraw/zinc/13/99/59/172139959.db2.gz ALAGDTIKRBNEGH-UHFFFAOYSA-N 0 3 222.336 2.115 10 0 BEAEHN CCn1cc([C@H](N)c2ccc(C)cc2)cn1 ZINC000043469098 172198938 /nfs/dbraw/zinc/19/89/38/172198938.db2.gz NOQAYLXCGLZEIR-CYBMUJFWSA-N 0 3 215.300 2.260 10 0 BEAEHN CCn1cc([C@H](N)c2ccsc2)cn1 ZINC000043469161 172199229 /nfs/dbraw/zinc/19/92/29/172199229.db2.gz VFYZUSQMILPMFF-SNVBAGLBSA-N 0 3 207.302 2.013 10 0 BEAEHN CCn1nc(-c2cccs2)c2c1CCNC2 ZINC000167707806 172241219 /nfs/dbraw/zinc/24/12/19/172241219.db2.gz VPOAGGTYTZPBSD-UHFFFAOYSA-N 0 3 233.340 2.277 10 0 BEAEHN CN(C(=O)C(C)(C)N)[C@H]1CCCc2ccccc21 ZINC000042372733 172294792 /nfs/dbraw/zinc/29/47/92/172294792.db2.gz OSQWKFQHFPTGIQ-ZDUSSCGKSA-N 0 3 246.354 2.260 10 0 BEAEHN CN(C(=O)C(C)(C)N)[C@@H]1CCCc2ccccc21 ZINC000042372732 172295056 /nfs/dbraw/zinc/29/50/56/172295056.db2.gz OSQWKFQHFPTGIQ-CYBMUJFWSA-N 0 3 246.354 2.260 10 0 BEAEHN CN(Cc1ccccn1)[C@H](CN)c1ccccc1 ZINC000036777125 172879830 /nfs/dbraw/zinc/87/98/30/172879830.db2.gz VDGQSQLMZXKTEB-OAHLLOKOSA-N 0 3 241.338 2.213 10 0 BEAEHN CN1CCC2(CC1)OCc1ccccc12 ZINC000013741526 173003573 /nfs/dbraw/zinc/00/35/73/173003573.db2.gz DZVDLNBMBMYHGT-UHFFFAOYSA-N 0 3 203.285 2.138 10 0 BEAEHN CN1CCCC[C@@H]1COc1ccc(F)cc1N ZINC000020352132 173005170 /nfs/dbraw/zinc/00/51/70/173005170.db2.gz AOJDLKUSJHKFCX-LLVKDONJSA-N 0 3 238.306 2.271 10 0 BEAEHN CN1CCCN(c2ccc(N)cc2Cl)CC1 ZINC000020217462 173018604 /nfs/dbraw/zinc/01/86/04/173018604.db2.gz SZGRYRRMOCAOMM-UHFFFAOYSA-N 0 3 239.750 2.064 10 0 BEAEHN CN1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000040673499 173046011 /nfs/dbraw/zinc/04/60/11/173046011.db2.gz CDBQPZAYNROGBZ-JTQLQIEISA-N 0 3 225.723 2.241 10 0 BEAEHN CN1CC[C@@H](N2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000116281233 173119896 /nfs/dbraw/zinc/11/98/96/173119896.db2.gz QRKSGEHHBZLVAD-HIFRSBDPSA-N 0 3 248.370 2.039 10 0 BEAEHN CN1CC[C@H](Nc2ccc(OC(F)F)cc2)C1 ZINC000061984721 173155020 /nfs/dbraw/zinc/15/50/20/173155020.db2.gz GDECNLVXZWIBRO-JTQLQIEISA-N 0 3 242.269 2.404 10 0 BEAEHN CN1CC[C@H](Nc2cc(F)c(F)c(F)c2)C1 ZINC000061989926 173155269 /nfs/dbraw/zinc/15/52/69/173155269.db2.gz ZWPPDVMVOBGTPI-ZETCQYMHSA-N 0 3 230.233 2.220 10 0 BEAEHN CN1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000028019877 173174809 /nfs/dbraw/zinc/17/48/09/173174809.db2.gz ZRIMUQQPKGTVBS-UHFFFAOYSA-N 0 3 231.274 2.204 10 0 BEAEHN CNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1 ZINC000042560810 173295581 /nfs/dbraw/zinc/29/55/81/173295581.db2.gz MIJSRSPAUUXYRA-VXGBXAGGSA-N 0 3 234.343 2.089 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(F)cc1Cl ZINC000061300352 173318397 /nfs/dbraw/zinc/31/83/97/173318397.db2.gz ZGZRRENDVCIQEY-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CNC(C)(C)C(=O)Nc1nc2ccccc2s1 ZINC000061300270 173319814 /nfs/dbraw/zinc/31/98/14/173319814.db2.gz FJRDWULXMULHNV-UHFFFAOYSA-N 0 3 249.339 2.233 10 0 BEAEHN CNC(C)(C)c1nc2c(s1)CCCC2 ZINC000041060866 173321585 /nfs/dbraw/zinc/32/15/85/173321585.db2.gz FWSWFERGJKJYJT-UHFFFAOYSA-N 0 3 210.346 2.476 10 0 BEAEHN CNC1(c2nc(C(C)C)cs2)CCOCC1 ZINC000041060741 173322350 /nfs/dbraw/zinc/32/23/50/173322350.db2.gz FZHQMOUXGUKQCT-UHFFFAOYSA-N 0 3 240.372 2.492 10 0 BEAEHN CNCc1c(C)cc(C)nc1N(C)C(C)C ZINC000051434656 173384405 /nfs/dbraw/zinc/38/44/05/173384405.db2.gz KJDOMNPWNYKEFW-UHFFFAOYSA-N 0 3 221.348 2.262 10 0 BEAEHN CNCc1cc(-c2cc(F)ccc2F)n[nH]1 ZINC000050478994 173384692 /nfs/dbraw/zinc/38/46/92/173384692.db2.gz RZGZSFZWIKJTCZ-UHFFFAOYSA-N 0 3 223.226 2.074 10 0 BEAEHN CNCc1cc(C)ccc1O[C@@H]1CCC[C@H]1O ZINC000071403598 173385667 /nfs/dbraw/zinc/38/56/67/173385667.db2.gz QRBMFYJAEJNBTC-TZMCWYRMSA-N 0 3 235.327 2.007 10 0 BEAEHN CNCc1cc(C)ccc1O[C@H]1CCC[C@@H]1O ZINC000071403597 173386043 /nfs/dbraw/zinc/38/60/43/173386043.db2.gz QRBMFYJAEJNBTC-JSGCOSHPSA-N 0 3 235.327 2.007 10 0 BEAEHN CNCc1cc(C)nc(-c2ccc(C)cc2)n1 ZINC000054830965 173386421 /nfs/dbraw/zinc/38/64/21/173386421.db2.gz CDJJUQZRKSPDBL-UHFFFAOYSA-N 0 3 227.311 2.480 10 0 BEAEHN CNCc1cc(Cn2cc(Cl)cn2)c(C)o1 ZINC000052577293 173387131 /nfs/dbraw/zinc/38/71/31/173387131.db2.gz DZOAKBCTFGAFNG-UHFFFAOYSA-N 0 3 239.706 2.206 10 0 BEAEHN CNCc1cccc(NC(=O)c2cccnc2)c1 ZINC000036282581 173389663 /nfs/dbraw/zinc/38/96/63/173389663.db2.gz RIMADCDRNDUXKD-UHFFFAOYSA-N 0 3 241.294 2.053 10 0 BEAEHN CNCc1ccccc1OCc1cccnc1 ZINC000034653477 173390523 /nfs/dbraw/zinc/39/05/23/173390523.db2.gz AFICTBNRGBBEPW-UHFFFAOYSA-N 0 3 228.295 2.380 10 0 BEAEHN CNCc1ccnc([C@H]2CCC[C@@H](C)C2)n1 ZINC000054791157 173391205 /nfs/dbraw/zinc/39/12/05/173391205.db2.gz ACFJDPRJKJCXQH-MNOVXSKESA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cnn(C2CCCCCC2)c1 ZINC000040932643 173393873 /nfs/dbraw/zinc/39/38/73/173393873.db2.gz CUGXEVOMSXZHIH-UHFFFAOYSA-N 0 3 207.321 2.498 10 0 BEAEHN CNCc1nc2cc(F)ccc2n1C(C)C ZINC000037439738 173396381 /nfs/dbraw/zinc/39/63/81/173396381.db2.gz UIOZSZXOJUPKGA-UHFFFAOYSA-N 0 3 221.279 2.476 10 0 BEAEHN COC(=O)C[C@H](C)NCc1ccc(F)c(F)c1 ZINC000049577717 173633896 /nfs/dbraw/zinc/63/38/96/173633896.db2.gz MDBQPOHJVRTKSM-QMMMGPOBSA-N 0 3 243.253 2.006 10 0 BEAEHN COCCCO[C@@H]1CCc2ccccc2[C@@H]1N ZINC000037747207 174255756 /nfs/dbraw/zinc/25/57/56/174255756.db2.gz UQBGBWCNBWCZCX-KGLIPLIRSA-N 0 3 235.327 2.054 10 0 BEAEHN COCCN(C[C@@H](N)c1ccc(C)cc1)C1CC1 ZINC000042518138 174297324 /nfs/dbraw/zinc/29/73/24/174297324.db2.gz OYZSGJBWPZHYNN-OAHLLOKOSA-N 0 3 248.370 2.106 10 0 BEAEHN COCCN1C[C@H]2C[C@@]2(c2ccc(C)cc2)C1 ZINC000034893562 174318564 /nfs/dbraw/zinc/31/85/64/174318564.db2.gz GJSHPRWWDRKXBZ-CABCVRRESA-N 0 3 231.339 2.215 10 0 BEAEHN COCCNCCOc1ccc2c(c1)CCCC2 ZINC000041304442 174333143 /nfs/dbraw/zinc/33/31/43/174333143.db2.gz HXPFCSCFGOCBLO-UHFFFAOYSA-N 0 3 249.354 2.180 10 0 BEAEHN COc1cc(OC)c([C@@H](C)N)cc1Cl ZINC000003705375 175008231 /nfs/dbraw/zinc/00/82/31/175008231.db2.gz SRNYHULKSHNBCV-ZCFIWIBFSA-N 0 3 215.680 2.377 10 0 BEAEHN COc1cc([C@H](C)N[C@H](C)CCO)ccc1F ZINC000124022956 175016155 /nfs/dbraw/zinc/01/61/55/175016155.db2.gz IEBFSFQMOKVPMW-ZJUUUORDSA-N 0 3 241.306 2.256 10 0 BEAEHN COc1cc2c(cc1Br)CNCC2 ZINC000071494752 175020852 /nfs/dbraw/zinc/02/08/52/175020852.db2.gz WHHDAOAVGDCKCV-UHFFFAOYSA-N 0 3 242.116 2.103 10 0 BEAEHN COc1cc2c(cc1F)nc(N)n2CC(C)C ZINC000104131534 175022874 /nfs/dbraw/zinc/02/28/74/175022874.db2.gz XZRIOOMAKHUHRQ-UHFFFAOYSA-N 0 3 237.278 2.422 10 0 BEAEHN COc1cc2nc(N)n(C(C)C)c2cc1OC ZINC000075415210 175028635 /nfs/dbraw/zinc/02/86/35/175028635.db2.gz CNXYDNZTCLWYDG-UHFFFAOYSA-N 0 3 235.287 2.217 10 0 BEAEHN COc1ccc(-c2nc([C@H](C)N)c[nH]2)cc1OC ZINC000082517123 175039688 /nfs/dbraw/zinc/03/96/88/175039688.db2.gz OOGVBOPZICEFPB-QMMMGPOBSA-N 0 3 247.298 2.114 10 0 BEAEHN COc1ccc(C(=O)[C@H]2CCCN2)c(Cl)c1 ZINC000071549734 175066230 /nfs/dbraw/zinc/06/62/30/175066230.db2.gz FZOHHNGKFNUIOJ-LLVKDONJSA-N 0 3 239.702 2.283 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)Cn1ccnc1C ZINC000023070234 175079958 /nfs/dbraw/zinc/07/99/58/175079958.db2.gz OFZKVVNJRALBNL-ZDUSSCGKSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)CN1CCCCC1 ZINC000022563846 175080124 /nfs/dbraw/zinc/08/01/24/175080124.db2.gz VMDROYCUKBMDRI-AWEZNQCLSA-N 0 3 248.370 2.489 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)c1ccncc1 ZINC000011832509 175080350 /nfs/dbraw/zinc/08/03/50/175080350.db2.gz NUFNRLSQPNGACK-AWEZNQCLSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1ccc(C)cc1[C@@H]1CN[C@@H](C)CO1 ZINC000036673452 175080374 /nfs/dbraw/zinc/08/03/74/175080374.db2.gz ZPBUEGBBIKKHAP-GWCFXTLKSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(C)cc1[C@@H](O)CN1CCCC1 ZINC000042244542 175080483 /nfs/dbraw/zinc/08/04/83/175080483.db2.gz ZSRWMKBCVIWBGX-ZDUSSCGKSA-N 0 3 235.327 2.133 10 0 BEAEHN COc1ccc(CN[C@H](C)CO)cc1C(C)C ZINC000098126246 175111360 /nfs/dbraw/zinc/11/13/60/175111360.db2.gz VPTZDHQNVZYBSS-LLVKDONJSA-N 0 3 237.343 2.289 10 0 BEAEHN COc1ccc(F)c(CN[C@@H]2C[C@H]2C)c1 ZINC000293421952 175125455 /nfs/dbraw/zinc/12/54/55/175125455.db2.gz AMSUYYRATSQAHD-PRHODGIISA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(F)c(F)c1C(C)(C)N ZINC000075925410 175125977 /nfs/dbraw/zinc/12/59/77/175125977.db2.gz JCHCZLZSAOTWAO-UHFFFAOYSA-N 0 3 201.216 2.167 10 0 BEAEHN COc1ccc(F)cc1[C@@H](N)[C@@H]1CCCOC1 ZINC000062230751 175132688 /nfs/dbraw/zinc/13/26/88/175132688.db2.gz KROJTLYVVPAFCR-RNCFNFMXSA-N 0 3 239.290 2.261 10 0 BEAEHN COc1ccc(N[C@@H]2CN3CCC2CC3)cc1 ZINC000020441139 175154489 /nfs/dbraw/zinc/15/44/89/175154489.db2.gz INPKGLAUMXOZPT-CQSZACIVSA-N 0 3 232.327 2.201 10 0 BEAEHN COc1ccc(OC)c([C@@H](N)C2CC2)c1 ZINC000003739207 175167792 /nfs/dbraw/zinc/16/77/92/175167792.db2.gz CCDUCJZVHRPZPE-LBPRGKRZSA-N 0 3 207.273 2.114 10 0 BEAEHN COc1ccc(OC)c2c1CCCC[C@@H]2N ZINC000019727444 175170847 /nfs/dbraw/zinc/17/08/47/175170847.db2.gz LXYUWDXJHHKIIZ-JTQLQIEISA-N 0 3 221.300 2.430 10 0 BEAEHN COc1ccc(OC)c2c1CCC[C@H]2N ZINC000001998463 175170891 /nfs/dbraw/zinc/17/08/91/175170891.db2.gz BFKGQFXJSRWVQK-SECBINFHSA-N 0 3 207.273 2.040 10 0 BEAEHN COc1ccc([C@H](N)COC(C)C)cc1OC ZINC000019270166 175191812 /nfs/dbraw/zinc/19/18/12/175191812.db2.gz YCHZLLVTGTYMOR-LLVKDONJSA-N 0 3 239.315 2.129 10 0 BEAEHN COc1ccc([C@H]2CSCCN2)cc1OC ZINC000041282379 175196388 /nfs/dbraw/zinc/19/63/88/175196388.db2.gz DZIOLAATOQBOKU-SNVBAGLBSA-N 0 3 239.340 2.081 10 0 BEAEHN COc1ccc2c(c1)CC[C@H](n1cccn1)[C@@H]2N ZINC000019270984 175209936 /nfs/dbraw/zinc/20/99/36/175209936.db2.gz COYSHJQTPLECRV-UONOGXRCSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1ccc2c(c1)CCN[C@H]2c1ccncc1 ZINC000019625659 175209982 /nfs/dbraw/zinc/20/99/82/175209982.db2.gz YTQCJMMJKRBJGA-HNNXBMFYSA-N 0 3 240.306 2.325 10 0 BEAEHN COc1ccc2c(c1OC)OC(C)(C)C[C@H]2N ZINC000011848979 175222544 /nfs/dbraw/zinc/22/25/44/175222544.db2.gz JFGLESYTHHUHNS-SECBINFHSA-N 0 3 237.299 2.265 10 0 BEAEHN COc1cccc(CN2CCC[C@H](O)[C@H]2C)c1 ZINC000295106494 175258281 /nfs/dbraw/zinc/25/82/81/175258281.db2.gz VOHPPNWFUOTSAT-RISCZKNCSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1cccc(F)c1-c1nc(CN)cs1 ZINC000083365629 175273407 /nfs/dbraw/zinc/27/34/07/175273407.db2.gz DCODOQAHDWWYKB-UHFFFAOYSA-N 0 3 238.287 2.417 10 0 BEAEHN COc1cccc(Oc2ccccc2CN)n1 ZINC000104109446 175285241 /nfs/dbraw/zinc/28/52/41/175285241.db2.gz OYZOOYKBDSLHLR-UHFFFAOYSA-N 0 3 230.267 2.341 10 0 BEAEHN COc1cccc2c1CC[C@H](CN(C)C)C2=O ZINC000165881940 175302290 /nfs/dbraw/zinc/30/22/90/175302290.db2.gz LTYHOOSIBPZOEQ-SNVBAGLBSA-N 0 3 233.311 2.002 10 0 BEAEHN COc1ccccc1CN1CCCC[C@H]1CCO ZINC000049801467 175328030 /nfs/dbraw/zinc/32/80/30/175328030.db2.gz PKBBTFXERYDXMT-AWEZNQCLSA-N 0 3 249.354 2.432 10 0 BEAEHN COc1ccccc1NC(=O)[C@H]1CCC[C@H](C)N1 ZINC000019482786 175336882 /nfs/dbraw/zinc/33/68/82/175336882.db2.gz JYDKYAKDYNDCPB-CMPLNLGQSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1ccccc1[C@@H](N)CN1CCC[C@@H]1C ZINC000037910672 175346907 /nfs/dbraw/zinc/34/69/07/175346907.db2.gz IKGAVYOSMPTZKE-AAEUAGOBSA-N 0 3 234.343 2.179 10 0 BEAEHN COc1ccccc1[C@H](CN)N(C)C[C@H]1C[C@@H]1C ZINC000111765793 175352890 /nfs/dbraw/zinc/35/28/90/175352890.db2.gz LMCYWDHXBDCWLA-SCRDCRAPSA-N 0 3 248.370 2.283 10 0 BEAEHN COc1ccccc1[C@H](N)CN1CCC(C)CC1 ZINC000023067749 175352970 /nfs/dbraw/zinc/35/29/70/175352970.db2.gz DXKYYBWUFIBTNT-CQSZACIVSA-N 0 3 248.370 2.427 10 0 BEAEHN COc1ccccc1[C@H](N)CN1CCCCC1 ZINC000023066662 175353737 /nfs/dbraw/zinc/35/37/37/175353737.db2.gz CSYGAOTYBWQVHO-CYBMUJFWSA-N 0 3 234.343 2.181 10 0 BEAEHN COc1ccccc1[C@H](N)Cn1cnc(C)c1C ZINC000051926540 175353817 /nfs/dbraw/zinc/35/38/17/175353817.db2.gz TWGYJPJBIOHGOA-CYBMUJFWSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccccc1[C@H]1CN(C(C)C)CCN1 ZINC000077369938 175355318 /nfs/dbraw/zinc/35/53/18/175355318.db2.gz MWHYQNQYIQIIRZ-CYBMUJFWSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccsc1CN[C@@H]1CCO[C@@H]1C ZINC000127312486 175378794 /nfs/dbraw/zinc/37/87/94/175378794.db2.gz OMYYZLYQEOHJMW-RKDXNWHRSA-N 0 3 227.329 2.024 10 0 BEAEHN CSc1cccc(OC2CC2)c1CN ZINC000095737891 175581544 /nfs/dbraw/zinc/58/15/44/175581544.db2.gz SQXRATQKAOMOOA-UHFFFAOYSA-N 0 3 209.314 2.408 10 0 BEAEHN C[C@@H]1CCC[C@@H](C)N1Cc1cccnc1N ZINC000052717087 176116426 /nfs/dbraw/zinc/11/64/26/176116426.db2.gz YOFKIBUSDNTFSW-GHMZBOCLSA-N 0 3 219.332 2.427 10 0 BEAEHN C[C@@H]1CCC[C@@](CO)(NCc2cncs2)C1 ZINC000054788481 176133432 /nfs/dbraw/zinc/13/34/32/176133432.db2.gz TUEGWIZIJWOCFW-ZYHUDNBSSA-N 0 3 240.372 2.174 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N2CCC(C)(C)CC2)N1 ZINC000061822070 176135658 /nfs/dbraw/zinc/13/56/58/176135658.db2.gz IFAHKTSEIMZUBT-VXGBXAGGSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@@H]1CCC[C@H](NC(=O)[C@](C)(N)C2CC2)[C@@H]1C ZINC000037614298 176142654 /nfs/dbraw/zinc/14/26/54/176142654.db2.gz JSEBAJZLOSMSBI-KOXOONSLSA-N 0 3 238.375 2.055 10 0 BEAEHN C[C@@H](NC1=N[C@H](C)CS1)c1ccncc1 ZINC000035694042 176348840 /nfs/dbraw/zinc/34/88/40/176348840.db2.gz ICTQUUFKUWJGBW-RKDXNWHRSA-N 0 3 221.329 2.224 10 0 BEAEHN C[C@@H]1C[C@@H](C)CN([C@@H](CN)c2ccccn2)C1 ZINC000019274121 176361555 /nfs/dbraw/zinc/36/15/55/176361555.db2.gz ZUZBGWZLYDNQII-BZPMIXESSA-N 0 3 233.359 2.059 10 0 BEAEHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000375749474 176407764 /nfs/dbraw/zinc/40/77/64/176407764.db2.gz FLOBKESFZGSYKX-WJUUCBRBSA-N 0 3 247.338 2.385 10 0 BEAEHN C[C@H](O)c1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000035631317 177017201 /nfs/dbraw/zinc/01/72/01/177017201.db2.gz DLKISECBOXCTPL-LBPRGKRZSA-N 0 3 248.370 2.270 10 0 BEAEHN C[C@H]([C@H](N)c1ccccc1)n1ccnc1 ZINC000023070824 177031102 /nfs/dbraw/zinc/03/11/02/177031102.db2.gz DCHONAQTARXODU-PWSUYJOCSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@H](c1ccco1)N1CCC[C@@H](CO)C1 ZINC000100248604 177048928 /nfs/dbraw/zinc/04/89/28/177048928.db2.gz NCWYDXBZXZRAQK-GHMZBOCLSA-N 0 3 209.289 2.045 10 0 BEAEHN C[C@H]1CCCCN1[C@@H](CN)c1ccco1 ZINC000019258444 177079156 /nfs/dbraw/zinc/07/91/56/177079156.db2.gz UCKUHYFJNRMIHE-QWRGUYRKSA-N 0 3 208.305 2.154 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)NCCC2CCCC2)N1 ZINC000037741559 177113757 /nfs/dbraw/zinc/11/37/57/177113757.db2.gz MHUPBVDKBLZGHY-AAEUAGOBSA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2)N1 ZINC000019518964 177114293 /nfs/dbraw/zinc/11/42/93/177114293.db2.gz KCCYVMHRXKHSFG-JQWIXIFHSA-N 0 3 218.300 2.156 10 0 BEAEHN C[C@@H]1CCC[C@H](C)N(CC(=O)NC(C)(C)C)C1 ZINC000125167890 177115041 /nfs/dbraw/zinc/11/50/41/177115041.db2.gz BRGVGINVVDYODH-NEPJUHHUSA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@H]1[C@H](NCc2ncc[nH]2)CCC[C@@H]1C ZINC000049714593 177123129 /nfs/dbraw/zinc/12/31/29/177123129.db2.gz OVMRKOBDLAOSIC-HBNTYKKESA-N 0 3 207.321 2.324 10 0 BEAEHN C[C@H]1CCC[C@@H](Oc2cccc(CN)n2)C1 ZINC000051542219 177123604 /nfs/dbraw/zinc/12/36/04/177123604.db2.gz ALZZHSAXWVSHEJ-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@@](NCc2ccccc2)(C(N)=O)C1 ZINC000037941239 177127449 /nfs/dbraw/zinc/12/74/49/177127449.db2.gz XGDBVUADWFMIDR-WFASDCNBSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@H]1CCC[C@H](Oc2ncccc2C(=N)N)C1 ZINC000036915121 177138900 /nfs/dbraw/zinc/13/89/00/177138900.db2.gz BYDRCNREEBDIFJ-UWVGGRQHSA-N 0 3 233.315 2.323 10 0 BEAEHN C[C@H]1CCC[C@](CO)(NCc2cncs2)C1 ZINC000054788484 177143911 /nfs/dbraw/zinc/14/39/11/177143911.db2.gz TUEGWIZIJWOCFW-JQWIXIFHSA-N 0 3 240.372 2.174 10 0 BEAEHN C[C@@H]1C[C@@H](C)CCN1Cc1csc(CN)n1 ZINC000052510109 177166548 /nfs/dbraw/zinc/16/65/48/177166548.db2.gz JQMQBIYQLBHYBB-VHSXEESVSA-N 0 3 239.388 2.222 10 0 BEAEHN C[C@@H](N)c1cnc(N2CC[C@H](C)C2)s1 ZINC000054896478 177172208 /nfs/dbraw/zinc/17/22/08/177172208.db2.gz VJUJANIUYUBZPW-JGVFFNPUSA-N 0 3 211.334 2.009 10 0 BEAEHN C[C@H]1CCNCc2nc(-c3ccccn3)oc21 ZINC000091301870 177175107 /nfs/dbraw/zinc/17/51/07/177175107.db2.gz DBALDJNUIDSXOB-VIFPVBQESA-N 0 3 229.283 2.333 10 0 BEAEHN C[C@H]1CCc2cccc(OCCN(C)C)c2N1 ZINC000019965361 177210385 /nfs/dbraw/zinc/21/03/85/177210385.db2.gz RUKBCJLFYDQIQG-NSHDSACASA-N 0 3 234.343 2.374 10 0 BEAEHN C[C@H]1CN(C)[C@H](c2ccc(Cl)s2)CN1 ZINC000083357744 177240243 /nfs/dbraw/zinc/24/02/43/177240243.db2.gz IRQJBLSDICWGBB-YUMQZZPRSA-N 0 3 230.764 2.366 10 0 BEAEHN C[C@@H]([C@H](O)c1ccccc1)N1CCCO[C@@H](C)C1 ZINC000061932774 177274404 /nfs/dbraw/zinc/27/44/04/177274404.db2.gz ZJERXGPXQQUWGO-YDHLFZDLSA-N 0 3 249.354 2.219 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccco1 ZINC000094432867 177279774 /nfs/dbraw/zinc/27/97/74/177279774.db2.gz HAINTICPDIWHCU-QWHCGFSZSA-N 0 3 234.343 2.338 10 0 BEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCCCF ZINC000367211693 177280781 /nfs/dbraw/zinc/28/07/81/177280781.db2.gz MJRBMBDYQXSWDF-QWHCGFSZSA-N 0 3 228.355 2.295 10 0 BEAEHN C[C@H]1COC[C@@H](CCc2ccccc2F)N1 ZINC000071524997 177299227 /nfs/dbraw/zinc/29/92/27/177299227.db2.gz SJJYQOSMMAKIBA-CMPLNLGQSA-N 0 3 223.291 2.135 10 0 BEAEHN C[C@H]1CSC(NCc2cccc(F)c2)=N1 ZINC000035295218 177302769 /nfs/dbraw/zinc/30/27/69/177302769.db2.gz AAUJSRVZAPLNHV-QMMMGPOBSA-N 0 3 224.304 2.407 10 0 BEAEHN C[C@H]1C[C@H](NCc2nncn2C)CC(C)(C)C1 ZINC000037989079 177371962 /nfs/dbraw/zinc/37/19/62/177371962.db2.gz QWFGQBSMIVXVDS-QWRGUYRKSA-N 0 3 236.363 2.120 10 0 BEAEHN C[C@H]1Cc2c(nc3ccccc3c2N)[C@@]1(C)O ZINC000013766031 177387614 /nfs/dbraw/zinc/38/76/14/177387614.db2.gz LEKKTQIRJGFRFP-RTHLEPHNSA-N 0 3 228.295 2.217 10 0 BEAEHN C[C@H]1Cc2c(nc3ccccc3c2N)[C@]1(C)O ZINC000013766036 177388174 /nfs/dbraw/zinc/38/81/74/177388174.db2.gz LEKKTQIRJGFRFP-RMLUDKJBSA-N 0 3 228.295 2.217 10 0 BEAEHN Cc1cccc(OCCN2C[C@H](O)C[C@H](C)C2)c1 ZINC000401853130 226362431 /nfs/dbraw/zinc/36/24/31/226362431.db2.gz VSLUINKXPLMYSJ-UONOGXRCSA-N 0 3 249.354 2.077 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000054073565 487682682 /nfs/dbraw/zinc/68/26/82/487682682.db2.gz ORUAHDMQTSJETE-YPMHNXCESA-N 0 3 248.370 2.498 10 0 BEAEHN CC[C@H](NCc1nncn1CC)[C@@H]1CC1(C)C ZINC000397654868 262928710 /nfs/dbraw/zinc/92/87/10/262928710.db2.gz BLRNNAPBAIBRLJ-QWRGUYRKSA-N 0 3 236.363 2.212 10 0 BEAEHN CC[C@H](NC(=O)[C@@H]1NCCCC1(C)C)C(C)C ZINC000234039642 487759194 /nfs/dbraw/zinc/75/91/94/487759194.db2.gz HJLUNXWMFWHASI-RYUDHWBXSA-N 0 3 240.391 2.315 10 0 BEAEHN CC(C)(C)[C@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC000676391208 487842761 /nfs/dbraw/zinc/84/27/61/487842761.db2.gz SLXFOKKDPWFABJ-SECBINFHSA-N 0 3 233.302 2.125 10 0 BEAEHN O=C(Nc1ccc2c(c1)CNC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000386406678 487843843 /nfs/dbraw/zinc/84/38/43/487843843.db2.gz FHWJLLVPWDJRJI-ZSBIGDGJSA-N 0 3 242.322 2.274 10 0 BEAEHN Cc1cc(CN)cc(NC(=O)C2CC(C)C2)c1 ZINC000562646465 323026304 /nfs/dbraw/zinc/02/63/04/323026304.db2.gz SHDHXCVTEAWECX-UHFFFAOYSA-N 0 3 232.327 2.438 10 0 BEAEHN CC(C)n1nnnc1CNC1(C2CCC2)CCC1 ZINC000563110823 323092864 /nfs/dbraw/zinc/09/28/64/323092864.db2.gz VGWJSGIFWJBIRY-UHFFFAOYSA-N 0 3 249.362 2.066 10 0 BEAEHN CCOCCN1CCC(OCC(C)C)CC1 ZINC000056507870 323907649 /nfs/dbraw/zinc/90/76/49/323907649.db2.gz JSYSOTJOQWIBSY-UHFFFAOYSA-N 0 3 229.364 2.160 10 0 BEAEHN Cc1cnn(CCN[C@H](C)c2ccoc2)c1 ZINC000127253260 324756898 /nfs/dbraw/zinc/75/68/98/324756898.db2.gz LDHUSNBYTKSALX-LLVKDONJSA-N 0 3 219.288 2.135 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]CC2(C3CC3)CC2)n1 ZINC000130719503 325082467 /nfs/dbraw/zinc/08/24/67/325082467.db2.gz MDMVFOSHHGHFMY-UHFFFAOYSA-N 0 3 232.327 2.375 10 0 BEAEHN COC[C@H](C)CNc1cccc(CN(C)C)c1 ZINC000131759676 325182093 /nfs/dbraw/zinc/18/20/93/325182093.db2.gz DESLLWVREXAYOW-GFCCVEGCSA-N 0 3 236.359 2.443 10 0 BEAEHN CCN(C)c1ccc(CN[C@H]2C[C@H]2C)cn1 ZINC000249649636 325658560 /nfs/dbraw/zinc/65/85/60/325658560.db2.gz UMKVQTLSNVCRRL-PWSUYJOCSA-N 0 3 219.332 2.036 10 0 BEAEHN CCC[C@H](C(=O)N1CC[C@@H](C)[C@H](C)C1)N(C)C ZINC000153732662 326110847 /nfs/dbraw/zinc/11/08/47/326110847.db2.gz FPNGPWQDPDNFJK-JHJVBQTASA-N 0 3 240.391 2.221 10 0 BEAEHN CCN1CC[C@H](Nc2cc(C(C)(C)C)ncn2)C1 ZINC000389331674 488089443 /nfs/dbraw/zinc/08/94/43/488089443.db2.gz HUNIJMAAGCKHER-NSHDSACASA-N 0 3 248.374 2.280 10 0 BEAEHN CCC[C@H](N)C(=O)Nc1cc(C)cc(C)c1O ZINC000094574562 487545723 /nfs/dbraw/zinc/54/57/23/487545723.db2.gz QQLDAFBVIHEXIW-JTQLQIEISA-N 0 3 236.315 2.075 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1cc(C)cc(C)c1O ZINC000094574563 487545929 /nfs/dbraw/zinc/54/59/29/487545929.db2.gz QQLDAFBVIHEXIW-SNVBAGLBSA-N 0 3 236.315 2.075 10 0 BEAEHN CC(C)[C@@H](NC(=O)[C@@]1(C)CCCCN1)C1CC1 ZINC000324195403 487553988 /nfs/dbraw/zinc/55/39/88/487553988.db2.gz XIMACSCRYXTBRY-TZMCWYRMSA-N 0 3 238.375 2.069 10 0 BEAEHN Cc1cnc([C@H](C)N[C@@H]2CCN(C)[C@@H](C)C2)o1 ZINC000231740378 487472428 /nfs/dbraw/zinc/47/24/28/487472428.db2.gz CFEFUFSYDDKCEY-ZMLRMANQSA-N 0 3 237.347 2.116 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C)c1O ZINC000093654877 487481101 /nfs/dbraw/zinc/48/11/01/487481101.db2.gz UAKGNWBXRVHEEU-GZMMTYOYSA-N 0 3 236.315 2.013 10 0 BEAEHN Cc1cnc(CCN2C[C@H](O)CC[C@@H]2C)c(C)c1 ZINC000401021219 488180292 /nfs/dbraw/zinc/18/02/92/488180292.db2.gz GYNKIRHZGOTRTM-UONOGXRCSA-N 0 3 248.370 2.086 10 0 BEAEHN C[C@H]1CC[C@@H](O)CN1CCOCc1ccccc1 ZINC000399285343 488228716 /nfs/dbraw/zinc/22/87/16/488228716.db2.gz KLASCILOUCUAJM-DZGCQCFKSA-N 0 3 249.354 2.048 10 0 BEAEHN c1sc2ccccc2c1N1CCNCC1 ZINC000034579936 490106294 /nfs/dbraw/zinc/10/62/94/490106294.db2.gz MBFFEYZLTXREPK-UHFFFAOYSA-N 0 3 218.325 2.311 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccccn1 ZINC000217637434 490476719 /nfs/dbraw/zinc/47/67/19/490476719.db2.gz YFLUNZHRXGGYBV-QJPTWQEYSA-N 0 3 220.316 2.036 10 0 BEAEHN C[C@@H](NC1CSC1)c1cccc(O)c1 ZINC000215965751 491124852 /nfs/dbraw/zinc/12/48/52/491124852.db2.gz XIWGKPDRIBXKHE-MRVPVSSYSA-N 0 3 209.314 2.158 10 0 BEAEHN CN1CCC[C@@H](N[C@@H]2CCCc3occc32)C1 ZINC000124844135 491128664 /nfs/dbraw/zinc/12/86/64/491128664.db2.gz LLHHJYRBJYWGMZ-DGCLKSJQSA-N 0 3 234.343 2.341 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1cncs1 ZINC000132631619 491137437 /nfs/dbraw/zinc/13/74/37/491137437.db2.gz JGVRKPDWYGORGA-AEJSXWLSSA-N 0 3 226.345 2.097 10 0 BEAEHN CCN1C[C@@H](C)[C@H](NCc2ccc(Cl)o2)C1 ZINC000309426253 491149106 /nfs/dbraw/zinc/14/91/06/491149106.db2.gz FHRHNPWWNVNHDG-MWLCHTKSSA-N 0 3 242.750 2.363 10 0 BEAEHN CCN1C[C@@H](C)[C@@H](NCc2ccc(Cl)o2)C1 ZINC000309426251 491149115 /nfs/dbraw/zinc/14/91/15/491149115.db2.gz FHRHNPWWNVNHDG-KOLCDFICSA-N 0 3 242.750 2.363 10 0 BEAEHN C[C@H]1OC2(CC(CF)(CF)C2)NCC1(C)C ZINC000757151426 582536086 /nfs/dbraw/zinc/53/60/86/582536086.db2.gz SNFPDQIEWIIFAK-SECBINFHSA-N 0 3 233.302 2.436 10 0 BEAEHN c1ccc(C[C@H]2CCOC3(CCC3)N2)cc1 ZINC000757151553 582536100 /nfs/dbraw/zinc/53/61/00/582536100.db2.gz QURRFPLVBCVMOU-CYBMUJFWSA-N 0 3 217.312 2.488 10 0 BEAEHN C[C@@H]1OC2(CC(CF)(CF)C2)NCC1(C)C ZINC000757151430 582536319 /nfs/dbraw/zinc/53/63/19/582536319.db2.gz SNFPDQIEWIIFAK-VIFPVBQESA-N 0 3 233.302 2.436 10 0 BEAEHN CC(C)CCNc1nc(=NN)c2c([nH]1)CCCC2 ZINC000057331708 519664595 /nfs/dbraw/zinc/66/45/95/519664595.db2.gz SGIOWUAUYYYMIN-UHFFFAOYSA-N 0 3 249.362 2.099 10 0 BEAEHN CNCc1cc(N2CCCC[C@@H]2C)ccn1 ZINC000051399413 536468933 /nfs/dbraw/zinc/46/89/33/536468933.db2.gz WLQMOCJLRLZIRW-NSHDSACASA-N 0 3 219.332 2.180 10 0 BEAEHN COCCOCCN1CCC[C@@H]1c1ccco1 ZINC000175679776 536499840 /nfs/dbraw/zinc/49/98/40/536499840.db2.gz PQNCSGCTHPLDPZ-GFCCVEGCSA-N 0 3 239.315 2.080 10 0 BEAEHN CCCN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037184405 535186643 /nfs/dbraw/zinc/18/66/43/535186643.db2.gz FBYOCXNKUIXRJY-LLVKDONJSA-N 0 3 218.300 2.094 10 0 BEAEHN CC[C@@H](C)N1CCN(c2ccc(CO)cc2)CC1 ZINC000055067958 535566736 /nfs/dbraw/zinc/56/67/36/535566736.db2.gz YHQRJVNIEBMUPQ-CYBMUJFWSA-N 0 3 248.370 2.099 10 0 BEAEHN CCC[C@H](C)CN(C)[C@@H](C)C[S@](C)=O ZINC000131007610 535608591 /nfs/dbraw/zinc/60/85/91/535608591.db2.gz ZFODZADDTNPYAB-COPLHBTASA-N 0 3 219.394 2.121 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCCc2ccccc21 ZINC000019477958 535845305 /nfs/dbraw/zinc/84/53/05/535845305.db2.gz AYBPAYUGFJBCBG-SMDDNHRTSA-N 0 3 246.354 2.339 10 0 BEAEHN COc1ccc(Cl)cc1N1CCN[C@H](C)C1 ZINC000054348243 536567468 /nfs/dbraw/zinc/56/74/68/536567468.db2.gz CMNSWFLFMWHMDG-SECBINFHSA-N 0 3 240.734 2.147 10 0 BEAEHN CC(C)c1nc([C@H]2CCCCCN2)n(C)n1 ZINC000080989972 538116557 /nfs/dbraw/zinc/11/65/57/538116557.db2.gz FVASQBRMZOHILJ-SNVBAGLBSA-N 0 3 222.336 2.143 10 0 BEAEHN CC(C(=O)C(C)(C)C)C(=O)C(F)(F)F ZINC000395458622 583058705 /nfs/dbraw/zinc/05/87/05/583058705.db2.gz KJAWXUIOQWYRBO-YFKPBYRVSA-N 0 3 210.195 2.369 10 0 BEAEHN Cc1csc([C@@H](C)Nc2cc(C)nc(N)n2)n1 ZINC000112466016 588799204 /nfs/dbraw/zinc/79/92/04/588799204.db2.gz DASJXUVQIMYYSZ-MRVPVSSYSA-N 0 3 249.343 2.305 10 0 BEAEHN CC(C)[C@H]1N[C@@]2(CCCOC2)OCC1(C)C ZINC000757140817 582521299 /nfs/dbraw/zinc/52/12/99/582521299.db2.gz CARVZMJNGDFECI-YPMHNXCESA-N 0 3 227.348 2.164 10 0 BEAEHN CC(C)(C)[C@H]1CCO[C@]2(COC(C)(C)C2)N1 ZINC000757141524 582522144 /nfs/dbraw/zinc/52/21/44/582522144.db2.gz PBRLTCCDXGICSJ-ZWNOBZJWSA-N 0 3 227.348 2.306 10 0 BEAEHN CC[C@]1(C)CCO[C@@]2(COC(C)(C)C2)N1 ZINC000757141808 582522473 /nfs/dbraw/zinc/52/24/73/582522473.db2.gz COCVAWOPYMCNID-NEPJUHHUSA-N 0 3 213.321 2.060 10 0 BEAEHN C[C@@H]1C[C@H](C)NC2(CC(CF)(CF)C2)O1 ZINC000757144683 582525393 /nfs/dbraw/zinc/52/53/93/582525393.db2.gz HBESDEZJIREZHZ-DTWKUNHWSA-N 0 3 219.275 2.189 10 0 BEAEHN CC(C)[C@@H]1N[C@]2(CCSC2)OCC1(C)C ZINC000757144788 582525528 /nfs/dbraw/zinc/52/55/28/582525528.db2.gz HISMWOVUOUALRJ-CMPLNLGQSA-N 0 3 229.389 2.490 10 0 BEAEHN COC[C@@H]1CCO[C@@]2(CCCC(C)(C)C2)N1 ZINC000757149979 582533616 /nfs/dbraw/zinc/53/36/16/582533616.db2.gz PRTBIJCYPUJGAT-WCQYABFASA-N 0 3 227.348 2.308 10 0 BEAEHN COC[C@@H]1CCO[C@]2(CCCC(C)(C)C2)N1 ZINC000757149949 582534129 /nfs/dbraw/zinc/53/41/29/582534129.db2.gz PRTBIJCYPUJGAT-AAEUAGOBSA-N 0 3 227.348 2.308 10 0 BEAEHN COC[C@@H]1CCOC2(CCCCCCC2)N1 ZINC000757153809 582538814 /nfs/dbraw/zinc/53/88/14/582538814.db2.gz YYJQWPPEIXVBCB-LBPRGKRZSA-N 0 3 227.348 2.452 10 0 BEAEHN CC(C)NC(=O)C[C@@H](N)c1cccc(Cl)c1 ZINC000041284313 582685233 /nfs/dbraw/zinc/68/52/33/582685233.db2.gz ISCQFBXYTVAMCY-LLVKDONJSA-N 0 3 240.734 2.255 10 0 BEAEHN NCc1c(C2CCCC2)nc2n1CCCC2 ZINC000259201259 582809444 /nfs/dbraw/zinc/80/94/44/582809444.db2.gz YXSYXNLAPXAPHL-UHFFFAOYSA-N 0 3 219.332 2.336 10 0 BEAEHN c1cc2c(s1)CCN[C@@]21CO[C@@H](C2CC2)C1 ZINC000701088758 582849069 /nfs/dbraw/zinc/84/90/69/582849069.db2.gz AHPUSAISNBQUBF-YPMHNXCESA-N 0 3 235.352 2.288 10 0 BEAEHN CCN1C[C@@H](C)[C@@H](NCc2ccc(C)o2)C1 ZINC000393736916 582921394 /nfs/dbraw/zinc/92/13/94/582921394.db2.gz CLMBWRKXTQDPKU-MFKMUULPSA-N 0 3 222.332 2.018 10 0 BEAEHN CC(C)(C)OC(=O)c1ccc(CN)s1 ZINC000147636027 583676917 /nfs/dbraw/zinc/67/69/17/583676917.db2.gz AIDPFDWOVPTCNE-UHFFFAOYSA-N 0 3 213.302 2.162 10 0 BEAEHN Cc1cc2c[nH]nc2cc1-c1nccc(N)c1N ZINC000757566086 586305038 /nfs/dbraw/zinc/30/50/38/586305038.db2.gz KEKQLMFQTSRMME-UHFFFAOYSA-N 0 3 239.282 2.098 10 0 BEAEHN CC[C@@H](C)[C@@H](O)c1nc(C)c(CNC)s1 ZINC000757132483 586426528 /nfs/dbraw/zinc/42/65/28/586426528.db2.gz TZCCWXWAQQAILO-GMSGAONNSA-N 0 3 228.361 2.250 10 0 BEAEHN C[C@@H]1CC[C@H](N)[C@@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183303 586433779 /nfs/dbraw/zinc/43/37/79/586433779.db2.gz NMQANSDCKSXIPH-VDDIYKPWSA-N 0 3 231.311 2.184 10 0 BEAEHN CCOC(=O)[C@H]1CC[C@@H](c2ccsc2)NC1 ZINC000757219372 586442069 /nfs/dbraw/zinc/44/20/69/586442069.db2.gz YETYJJCYMAYTKL-ONGXEEELSA-N 0 3 239.340 2.352 10 0 BEAEHN C[C@@H](NC(=O)c1cccc(CN)c1)C(C)(C)C ZINC000122319385 589578286 /nfs/dbraw/zinc/57/82/86/589578286.db2.gz IFCHEPZRCQQLAM-SNVBAGLBSA-N 0 3 234.343 2.310 10 0 BEAEHN Cc1cc(C[C@H](C)NCc2ccoc2)[nH]n1 ZINC000124475004 590020799 /nfs/dbraw/zinc/02/07/99/590020799.db2.gz BQCQWTILHGCTGN-VIFPVBQESA-N 0 3 219.288 2.032 10 0 BEAEHN Cc1cc(C[C@H](C)NCc2ccoc2)n[nH]1 ZINC000124475004 590020802 /nfs/dbraw/zinc/02/08/02/590020802.db2.gz BQCQWTILHGCTGN-VIFPVBQESA-N 0 3 219.288 2.032 10 0 BEAEHN Cc1cnccc1CCNCc1ccoc1 ZINC000126171097 590245821 /nfs/dbraw/zinc/24/58/21/590245821.db2.gz YHFGJXWXUMTMPY-UHFFFAOYSA-N 0 3 216.284 2.315 10 0 BEAEHN CO[C@H]1CCCC[C@@H]1NCc1ccoc1 ZINC000127118053 590564854 /nfs/dbraw/zinc/56/48/54/590564854.db2.gz YRNDLJNUAJMSMV-RYUDHWBXSA-N 0 3 209.289 2.327 10 0 BEAEHN Nc1ccncc1OCc1ccccc1 ZINC000214232507 591540745 /nfs/dbraw/zinc/54/07/45/591540745.db2.gz YYIVQQPGUCFPPY-UHFFFAOYSA-N 0 3 200.241 2.243 10 0 BEAEHN C[C@@H](NCC[S@@](C)=O)c1cccc(Cl)c1 ZINC000133821111 591862355 /nfs/dbraw/zinc/86/23/55/591862355.db2.gz HUVOPEBUIBDSSJ-PSLIRLAXSA-N 0 3 245.775 2.369 10 0 BEAEHN CCC(CC)CNCc1nnc(C)s1 ZINC000134665106 591946287 /nfs/dbraw/zinc/94/62/87/591946287.db2.gz IEJOZKIGNJOFAO-UHFFFAOYSA-N 0 3 213.350 2.372 10 0 BEAEHN COCCC(C)(C)CNCc1ccoc1 ZINC000135003043 591971141 /nfs/dbraw/zinc/97/11/41/591971141.db2.gz FQZBZZICEYQZBQ-UHFFFAOYSA-N 0 3 211.305 2.432 10 0 BEAEHN FC1(F)CC[C@@H](c2noc([C@H]3CCCN3)n2)C1 ZINC000302392735 592547733 /nfs/dbraw/zinc/54/77/33/592547733.db2.gz POTMBQVYXRLKIB-HTQZYQBOSA-N 0 3 243.257 2.397 10 0 BEAEHN C[C@H](N[C@H]1CCc2cccnc21)[C@H]1CCCO1 ZINC000299930354 634401419 /nfs/dbraw/zinc/40/14/19/634401419.db2.gz YTLRHYWYSHSMAD-WCFLWFBJSA-N 0 3 232.327 2.226 10 0 BEAEHN Cc1cc(NC[C@H]2Cc3ccccc32)nc(N)n1 ZINC000108094821 635543681 /nfs/dbraw/zinc/54/36/81/635543681.db2.gz SSLBEEPSTJFBNJ-LLVKDONJSA-N 0 3 240.310 2.119 10 0 BEAEHN CCC1CCC(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000310112829 632701109 /nfs/dbraw/zinc/70/11/09/632701109.db2.gz QNWQRANWLMQANE-GDKBPFBDSA-N 0 3 238.375 2.199 10 0 BEAEHN CCN1CC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000307386786 635987382 /nfs/dbraw/zinc/98/73/82/635987382.db2.gz LVXHIMNSLQSILU-SSDOTTSWSA-N 0 3 231.752 2.303 10 0 BEAEHN CCN1CC[C@@H](N[C@H](C)c2c(C)noc2C)C1 ZINC000328177717 633734673 /nfs/dbraw/zinc/73/46/73/633734673.db2.gz LQNFNEPSCRABKM-BXKDBHETSA-N 0 3 237.347 2.036 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cocn1 ZINC000397988155 634236816 /nfs/dbraw/zinc/23/68/16/634236816.db2.gz NIGJCTXXQZFVAJ-ZIAGYGMSSA-N 0 3 249.358 2.123 10 0 BEAEHN Cl/C=C(/Cl)CN1CCN2CCCC[C@H]2C1 ZINC000263635035 635762837 /nfs/dbraw/zinc/76/28/37/635762837.db2.gz GKJXAZVUWGYQMC-HUYFXPKMSA-N 0 3 249.185 2.476 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)nc1 ZINC000149154221 638164524 /nfs/dbraw/zinc/16/45/24/638164524.db2.gz VFUAOPSEKDONSA-GMSGAONNSA-N 0 3 241.722 2.047 10 0 BEAEHN Cc1cc(N(C)Cc2ccsc2)nc(N)n1 ZINC000043533327 638520508 /nfs/dbraw/zinc/52/05/08/638520508.db2.gz WAPUNIXAGXMGRW-UHFFFAOYSA-N 0 3 234.328 2.065 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(N(C)C)cc1 ZINC000036335562 640502132 /nfs/dbraw/zinc/50/21/32/640502132.db2.gz LQZPTMSVGUMHBB-ZWNOBZJWSA-N 0 3 249.358 2.065 10 0 BEAEHN Cc1cc(NCCc2cccs2)nc(N)n1 ZINC000045724278 640652620 /nfs/dbraw/zinc/65/26/20/640652620.db2.gz LLUNBALFTPHZDV-UHFFFAOYSA-N 0 3 234.328 2.083 10 0 BEAEHN COC(CN[C@H]1CCc2c1cccc2F)OC ZINC000214643497 640770436 /nfs/dbraw/zinc/77/04/36/640770436.db2.gz PFNMJJXUXNSOMP-LBPRGKRZSA-N 0 3 239.290 2.022 10 0 BEAEHN Cc1ccc([C@H](C)NC[C@@H]2COC(C)(C)O2)o1 ZINC000230203211 641037126 /nfs/dbraw/zinc/03/71/26/641037126.db2.gz SDIQTTDHLSMAMX-WDEREUQCSA-N 0 3 239.315 2.390 10 0 BEAEHN Cc1cc(NC[C@H]2CC=CCC2)nc(N)n1 ZINC000049281767 641714087 /nfs/dbraw/zinc/71/40/87/641714087.db2.gz DYNMGUGXQLILLD-JTQLQIEISA-N 0 3 218.304 2.135 10 0 BEAEHN Cc1ccc([C@H](C)NCC[C@H]2CCOC2=O)o1 ZINC000182579183 643030179 /nfs/dbraw/zinc/03/01/79/643030179.db2.gz PGUCFCBOHRUQNW-QWRGUYRKSA-N 0 3 237.299 2.192 10 0 BEAEHN c1ccc(C[C@H]2CCO[C@]3(CCSC3)N2)cc1 ZINC000757149079 643333183 /nfs/dbraw/zinc/33/31/83/643333183.db2.gz OOIYJYFOELXNAJ-KGLIPLIRSA-N 0 3 249.379 2.441 10 0 BEAEHN c1ccc(C[C@H]2CCO[C@@]3(CCSC3)N2)cc1 ZINC000757149084 643333340 /nfs/dbraw/zinc/33/33/40/643333340.db2.gz OOIYJYFOELXNAJ-ZIAGYGMSSA-N 0 3 249.379 2.441 10 0 BEAEHN CCOC(=O)[C@@H]1CCCN[C@@H]1c1ccsc1 ZINC000757211036 643369886 /nfs/dbraw/zinc/36/98/86/643369886.db2.gz FRMOFKRCLOPVPK-GHMZBOCLSA-N 0 3 239.340 2.352 10 0 BEAEHN CCN1CCC[C@H](Nc2ccc(Cl)nn2)C1 ZINC000042359012 643507133 /nfs/dbraw/zinc/50/71/33/643507133.db2.gz YGEDSKOQKBLOPS-VIFPVBQESA-N 0 3 240.738 2.026 10 0 BEAEHN CO[C@H]1CCC[C@H]1NCc1cccc2c1OCO2 ZINC000049948619 643563767 /nfs/dbraw/zinc/56/37/67/643563767.db2.gz VRIDZBMQGBWIGH-NEPJUHHUSA-N 0 3 249.310 2.072 10 0 BEAEHN CC[C@H](COC)NCc1ncc(C)cc1C ZINC000724020823 711556924 /nfs/dbraw/zinc/55/69/24/711556924.db2.gz FGNIUTLGSNQCMX-GFCCVEGCSA-N 0 3 222.332 2.213 10 0 BEAEHN CC[C@@H]1COC[C@@H]1NCc1ncc(C)cc1C ZINC000724097953 711560555 /nfs/dbraw/zinc/56/05/55/711560555.db2.gz NMJMLJDVRWQTNY-OCCSQVGLSA-N 0 3 234.343 2.213 10 0 BEAEHN Cc1cc(NCc2cccc(F)c2)nc(N)n1 ZINC000046485158 711831390 /nfs/dbraw/zinc/83/13/90/711831390.db2.gz KDAYNYURUJOZQY-UHFFFAOYSA-N 0 3 232.262 2.118 10 0 BEAEHN CC(C)C1(NCc2cc(Cl)n(C)n2)CC1 ZINC000706197579 712142029 /nfs/dbraw/zinc/14/20/29/712142029.db2.gz GQIPCOSNZCHMGO-UHFFFAOYSA-N 0 3 227.739 2.352 10 0 BEAEHN CCC[C@H](N)C(=O)NCC1CCC2(CC2)CC1 ZINC000709973563 712235741 /nfs/dbraw/zinc/23/57/41/712235741.db2.gz YTMFURXJTMKSTC-LBPRGKRZSA-N 0 3 238.375 2.200 10 0 BEAEHN C[C@H](N[C@H]1COc2ccccc21)[C@H]1CCCO1 ZINC000379765561 712397983 /nfs/dbraw/zinc/39/79/83/712397983.db2.gz IHNWKWIMOKRYGR-WCFLWFBJSA-N 0 3 233.311 2.277 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000715816269 712533715 /nfs/dbraw/zinc/53/37/15/712533715.db2.gz XPXOABUGSYENSO-ZYHUDNBSSA-N 0 3 240.734 2.128 10 0 BEAEHN CCCn1cc([C@H](C)N[C@@H](C)C(C)C)nn1 ZINC000715849118 712536235 /nfs/dbraw/zinc/53/62/35/712536235.db2.gz DOLLJINYTCZVIY-QWRGUYRKSA-N 0 3 224.352 2.383 10 0 BEAEHN CCC1CCC(N[C@H](C)c2cn(C)nn2)CC1 ZINC000715879554 712539379 /nfs/dbraw/zinc/53/93/79/712539379.db2.gz TUWCITYILKYBLD-VOMCLLRMSA-N 0 3 236.363 2.435 10 0 BEAEHN Cn1cc(CN[C@@H]2CCCCCC2(C)C)nn1 ZINC000719305693 712804120 /nfs/dbraw/zinc/80/41/20/712804120.db2.gz AGBHKBCBHRCNOL-GFCCVEGCSA-N 0 3 236.363 2.264 10 0 BEAEHN C[C@H](NC[C@]12CCC[C@H]1OCC2)c1ncc[nH]1 ZINC000720182798 712828892 /nfs/dbraw/zinc/82/88/92/712828892.db2.gz IWPLKKZBVZXDAJ-DMDPSCGWSA-N 0 3 235.331 2.020 10 0 BEAEHN Cc1conc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000720353374 712833104 /nfs/dbraw/zinc/83/31/04/712833104.db2.gz TZKKDZGXZKQDMH-HBNTYKKESA-N 0 3 206.289 2.261 10 0 BEAEHN CCCC[C@@H](CC)N[C@H](C)c1cn(C)nn1 ZINC000720584737 712854611 /nfs/dbraw/zinc/85/46/11/712854611.db2.gz UZBGKHPXAAPGIK-GHMZBOCLSA-N 0 3 224.352 2.435 10 0 BEAEHN C[C@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607914 712858355 /nfs/dbraw/zinc/85/83/55/712858355.db2.gz WZQZPTNRQPYLMS-YFKTTZPYSA-N 0 3 234.347 2.044 10 0 BEAEHN Cc1cc(N2CC[C@H]3CCCC[C@@H]3C2)nc(N)n1 ZINC000035874853 1170909466 /nfs/dbraw/zinc/90/94/66/1170909466.db2.gz GWQPDDXCZYLSGP-VXGBXAGGSA-N 0 3 246.358 2.384 10 0 BEAEHN CCCOCC(=O)CCNCc1ccccc1 ZINC000685960551 538907479 /nfs/dbraw/zinc/90/74/79/538907479.db2.gz QSYZDOHBKQALKT-UHFFFAOYSA-N 0 3 235.327 2.162 10 0 BEAEHN CC(C)C(=O)CCNCc1ccccc1 ZINC000685960484 538907685 /nfs/dbraw/zinc/90/76/85/538907685.db2.gz MOCROGSUPCFKEE-UHFFFAOYSA-N 0 3 205.301 2.391 10 0 BEAEHN Cc1cc(CNC(C)C)nc(C[C@H]2CCCO2)n1 ZINC000054831699 178017378 /nfs/dbraw/zinc/01/73/78/178017378.db2.gz KSDXHWQQDGQZLS-CYBMUJFWSA-N 0 3 249.358 2.005 10 0 BEAEHN Cc1cc(CN[C@@H]2CCO[C@@H]2C)cc(C)c1O ZINC000149380192 178034646 /nfs/dbraw/zinc/03/46/46/178034646.db2.gz UYJVEEFZIGVAKZ-DGCLKSJQSA-N 0 3 235.327 2.276 10 0 BEAEHN Cc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)cc(C)c1O ZINC000128228936 178035165 /nfs/dbraw/zinc/03/51/65/178035165.db2.gz OEKVOMQNESHVNY-CHWSQXEVSA-N 0 3 249.354 2.258 10 0 BEAEHN Cc1cc(CN[C@@H]2C[C@H](O)C2(C)C)cc(C)c1O ZINC000128228481 178035923 /nfs/dbraw/zinc/03/59/23/178035923.db2.gz OEKVOMQNESHVNY-OLZOCXBDSA-N 0 3 249.354 2.258 10 0 BEAEHN F[C@H](c1cncs1)[C@H]1CCCCN1 ZINC000575517668 398178701 /nfs/dbraw/zinc/17/87/01/398178701.db2.gz GXHUGBBDYZAZLS-APPZFPTMSA-N 0 3 200.282 2.296 10 0 BEAEHN Cc1cc(Cl)c2ncc([C@@H](C)N)n2c1 ZINC000082694151 178061986 /nfs/dbraw/zinc/06/19/86/178061986.db2.gz QZNFIMBARJDBNR-SSDOTTSWSA-N 0 3 209.680 2.316 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1cccc(Cl)n1 ZINC000292458366 398194393 /nfs/dbraw/zinc/19/43/93/398194393.db2.gz YPVGIGBCWYHHMG-PSASIEDQSA-N 0 3 226.707 2.002 10 0 BEAEHN Cc1cc(N)ccc1NC1CCN(C)CC1 ZINC000037267272 178106199 /nfs/dbraw/zinc/10/61/99/178106199.db2.gz OWQBMWLTEDIMIS-UHFFFAOYSA-N 0 3 219.332 2.083 10 0 BEAEHN Cc1cnccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000296230551 398208438 /nfs/dbraw/zinc/20/84/38/398208438.db2.gz CGSSCYTUIQKHDR-AAEUAGOBSA-N 0 3 220.316 2.047 10 0 BEAEHN Cc1cc(NN)nc(Cc2cccc(Cl)c2)n1 ZINC000051152326 178177639 /nfs/dbraw/zinc/17/76/39/178177639.db2.gz DULPEQRXYBLAFN-UHFFFAOYSA-N 0 3 248.717 2.315 10 0 BEAEHN Cc1cc(OC2CCN(C)CC2)ccc1N ZINC000031978470 178207848 /nfs/dbraw/zinc/20/78/48/178207848.db2.gz GORHLDYDYKQSKY-UHFFFAOYSA-N 0 3 220.316 2.050 10 0 BEAEHN Cc1ncsc1CNC1=NCCCS1 ZINC000070837365 361781223 /nfs/dbraw/zinc/78/12/23/361781223.db2.gz KTYMGXIEMWTPHG-UHFFFAOYSA-N 0 3 227.358 2.034 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2NCC(C)(C)C ZINC000165537333 538936088 /nfs/dbraw/zinc/93/60/88/538936088.db2.gz CZFJUBLEDGIHNI-SNVBAGLBSA-N 0 3 222.336 2.057 10 0 BEAEHN Cc1cc([C@H](CN)N(C)C2CC2)c(C)s1 ZINC000049687290 178261483 /nfs/dbraw/zinc/26/14/83/178261483.db2.gz DMWRESWPYPRFLM-LBPRGKRZSA-N 0 3 224.373 2.459 10 0 BEAEHN Cc1cc2ncc([C@H](C)N[C@H]3C[C@H]3C)c(C)n2n1 ZINC000249800838 178303816 /nfs/dbraw/zinc/30/38/16/178303816.db2.gz ADFDGYDYQJDGJJ-DVYJOKAKSA-N 0 3 244.342 2.405 10 0 BEAEHN Cc1ccc(-c2ccc(=NN)[nH]n2)c(C)c1 ZINC000011567891 178325497 /nfs/dbraw/zinc/32/54/97/178325497.db2.gz ZXPAEIGBKYCEJY-UHFFFAOYSA-N 0 3 214.272 2.046 10 0 BEAEHN Cc1ccc(-c2c[nH]c([C@H](C)N)n2)cc1 ZINC000036872342 178318232 /nfs/dbraw/zinc/31/82/32/178318232.db2.gz BAJSNTLCTIFMQR-VIFPVBQESA-N 0 3 201.273 2.405 10 0 BEAEHN CCC(CC)N(C)C(=O)C1(N)CCCCC1 ZINC000037504888 168367799 /nfs/dbraw/zinc/36/77/99/168367799.db2.gz VZJBYFGUEUPALC-UHFFFAOYSA-N 0 3 226.364 2.295 10 0 BEAEHN Cc1ccc(-c2nc3c(c(NN)n2)CCC3)cc1 ZINC000051152040 178337270 /nfs/dbraw/zinc/33/72/70/178337270.db2.gz YKXBCGRMHVTCMN-UHFFFAOYSA-N 0 3 240.310 2.226 10 0 BEAEHN C[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)CC(C)(C)O1 ZINC000383873675 398258848 /nfs/dbraw/zinc/25/88/48/398258848.db2.gz IERASLWGERUXGX-UPJWGTAASA-N 0 3 241.375 2.037 10 0 BEAEHN Cc1ccc(-c2ocnc2CN)cc1F ZINC000082639994 178344969 /nfs/dbraw/zinc/34/49/69/178344969.db2.gz XEJBQYVJKVSMNZ-UHFFFAOYSA-N 0 3 206.220 2.248 10 0 BEAEHN CCN1CCC[C@@H](OC(F)(F)F)CC1 ZINC000616612809 349591057 /nfs/dbraw/zinc/59/10/57/349591057.db2.gz ZWGRANYNCRSMIV-MRVPVSSYSA-N 0 3 211.227 2.397 10 0 BEAEHN CCOP(=O)(OCC)c1ccccc1CN ZINC000198943739 398273390 /nfs/dbraw/zinc/27/33/90/398273390.db2.gz VSISLYYGGKIMGV-UHFFFAOYSA-N 0 3 243.243 2.037 10 0 BEAEHN Cc1ccc2c(cccc2N2CCN[C@H](C)C2)n1 ZINC000083369689 398278154 /nfs/dbraw/zinc/27/81/54/398278154.db2.gz MYNPYFPLJSFGGY-GFCCVEGCSA-N 0 3 241.338 2.341 10 0 BEAEHN CC(C)C(=O)O[C@H]1CCCN2CCCC[C@H]12 ZINC000005452649 342707305 /nfs/dbraw/zinc/70/73/05/342707305.db2.gz AKINKDOLVIOTCB-NEPJUHHUSA-N 0 3 225.332 2.203 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1ccccn1 ZINC000037165123 538961773 /nfs/dbraw/zinc/96/17/73/538961773.db2.gz YFLUNZHRXGGYBV-SRVKXCTJSA-N 0 3 220.316 2.036 10 0 BEAEHN Brc1cc(C=C2CNC2)co1 ZINC000306656792 361865502 /nfs/dbraw/zinc/86/55/02/361865502.db2.gz HJNOGYMDCCIPPC-UHFFFAOYSA-N 0 3 214.062 2.029 10 0 BEAEHN CCc1ncc(CNCC[C@@H]2CCCO2)s1 ZINC000038096495 538965039 /nfs/dbraw/zinc/96/50/39/538965039.db2.gz LVQMGXSXZINYKY-JTQLQIEISA-N 0 3 240.372 2.364 10 0 BEAEHN CN1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC000003638697 342735565 /nfs/dbraw/zinc/73/55/65/342735565.db2.gz GKNNRYJKHVPYCJ-CYBMUJFWSA-N 0 3 233.311 2.072 10 0 BEAEHN COc1cccc2c1C(=O)[C@]1(CCCCN1)CC2 ZINC000146588283 342770022 /nfs/dbraw/zinc/77/00/22/342770022.db2.gz YQISCFMBRFGVIB-HNNXBMFYSA-N 0 3 245.322 2.336 10 0 BEAEHN [O-]c1ccc(F)c(F)c1C1CC[NH2+]CC1 ZINC000148470692 342791392 /nfs/dbraw/zinc/79/13/92/342791392.db2.gz ITRZZWCKGYHJHS-UHFFFAOYSA-N 0 3 213.227 2.137 10 0 BEAEHN CN(C)c1ccnc(Cc2ccc(O)cc2)c1 ZINC000148700895 342792294 /nfs/dbraw/zinc/79/22/94/342792294.db2.gz VVVXPQOGULUMPR-UHFFFAOYSA-N 0 3 228.295 2.444 10 0 BEAEHN N[C@@H](c1ccsn1)C1CCSCC1 ZINC000401488840 342827170 /nfs/dbraw/zinc/82/71/70/342827170.db2.gz WRBODNVFUUHTTP-SECBINFHSA-N 0 3 214.359 2.286 10 0 BEAEHN C[C@H](NCc1ccccn1)[C@@H]1CCCCO1 ZINC000381448986 539000757 /nfs/dbraw/zinc/00/07/57/539000757.db2.gz GKHJAPGOTHKFSG-AAEUAGOBSA-N 0 3 220.316 2.129 10 0 BEAEHN CCN1C[C@H](N[C@H](C)c2cncs2)[C@@H](C)C1 ZINC000381542366 539003603 /nfs/dbraw/zinc/00/36/03/539003603.db2.gz IOINEUWCAHTRMP-AXFHLTTASA-N 0 3 239.388 2.134 10 0 BEAEHN CCN1C[C@H](N[C@@H](C)c2cncs2)[C@@H](C)C1 ZINC000381542367 539003781 /nfs/dbraw/zinc/00/37/81/539003781.db2.gz IOINEUWCAHTRMP-DCAQKATOSA-N 0 3 239.388 2.134 10 0 BEAEHN CCN1C[C@H](N[C@@H](C)c2ccoc2)[C@@H](C)C1 ZINC000381778254 539006911 /nfs/dbraw/zinc/00/69/11/539006911.db2.gz XKLAYXKOVBBCQH-GVXVVHGQSA-N 0 3 222.332 2.270 10 0 BEAEHN CCCCN[C@@H](CO)c1cccc(OC)c1 ZINC000390755974 539027389 /nfs/dbraw/zinc/02/73/89/539027389.db2.gz HMGSQDWRDXQEAL-ZDUSSCGKSA-N 0 3 223.316 2.118 10 0 BEAEHN CS[C@H]1CCC[C@@H](NCc2cncnc2)C1 ZINC000117393728 398311301 /nfs/dbraw/zinc/31/13/01/398311301.db2.gz RWYUTHGVVSMAQF-NEPJUHHUSA-N 0 3 237.372 2.240 10 0 BEAEHN C[C@@H](CCNCc1ccc(Cl)o1)[S@](C)=O ZINC000132554919 398306297 /nfs/dbraw/zinc/30/62/97/398306297.db2.gz GELIQLGGVLODBO-VXJOIVPMSA-N 0 3 249.763 2.180 10 0 BEAEHN CN(c1nc(Cl)cs1)C1CCN(C)CC1 ZINC000165103717 342875422 /nfs/dbraw/zinc/87/54/22/342875422.db2.gz KVOVNLGNQFBVSS-UHFFFAOYSA-N 0 3 245.779 2.327 10 0 BEAEHN C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1cccnc1 ZINC000037691479 398333967 /nfs/dbraw/zinc/33/39/67/398333967.db2.gz XEIJMLRVGCRWMA-RTXFEEFZSA-N 0 3 220.316 2.036 10 0 BEAEHN CCC(CC)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158837306 398341596 /nfs/dbraw/zinc/34/15/96/398341596.db2.gz JTMQCCDPGLUWAN-AAEUAGOBSA-N 0 3 240.391 2.268 10 0 BEAEHN OC1CC(CNCc2ccccc2Cl)C1 ZINC000084446402 342986372 /nfs/dbraw/zinc/98/63/72/342986372.db2.gz HQWISDQVJGEFPR-UHFFFAOYSA-N 0 3 225.719 2.201 10 0 BEAEHN CO[C@@H](CN)c1ccc(Br)s1 ZINC000043263645 343020378 /nfs/dbraw/zinc/02/03/78/343020378.db2.gz RXTSBKWPRHEUTI-YFKPBYRVSA-N 0 3 236.134 2.157 10 0 BEAEHN NC[C@@H](OCc1ccccc1)c1ccncc1 ZINC000043355066 343055784 /nfs/dbraw/zinc/05/57/84/343055784.db2.gz YUYVNEYWUCFKDG-CQSZACIVSA-N 0 3 228.295 2.298 10 0 BEAEHN CNc1c(N)cnc2ccc(OC(C)C)cc21 ZINC000584882217 343084223 /nfs/dbraw/zinc/08/42/23/343084223.db2.gz UULKHNMMPUUOSL-UHFFFAOYSA-N 0 3 231.299 2.068 10 0 BEAEHN CNc1c(N)cnc2ccc(C(C)C)cc21 ZINC000584882231 343084350 /nfs/dbraw/zinc/08/43/50/343084350.db2.gz VQNDAGJJYJIFAK-UHFFFAOYSA-N 0 3 215.300 2.404 10 0 BEAEHN Nc1cnc2ccc(C3CCC3)cc2c1N ZINC000584882235 343084809 /nfs/dbraw/zinc/08/48/09/343084809.db2.gz VVLZZDVWTUPYMF-UHFFFAOYSA-N 0 3 213.284 2.497 10 0 BEAEHN Nc1nc2c(cc1-c1cccc(F)c1)CCCN2 ZINC000584883372 343086259 /nfs/dbraw/zinc/08/62/59/343086259.db2.gz SGMJOHOGSWXHBE-UHFFFAOYSA-N 0 3 243.285 2.175 10 0 BEAEHN COc1cc(C2=CCN(C)CC2)ccc1O ZINC000013509481 343090843 /nfs/dbraw/zinc/09/08/43/343090843.db2.gz RSPLMRXJVVLAQG-UHFFFAOYSA-N 0 3 219.284 2.120 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000122117663 343158276 /nfs/dbraw/zinc/15/82/76/343158276.db2.gz XXHPHVYFYKGZCC-IJLUTSLNSA-N 0 3 226.364 2.055 10 0 BEAEHN C[C@@H](NCc1cc(C(N)=O)cs1)C(C)(C)C ZINC000132552668 343188587 /nfs/dbraw/zinc/18/85/87/343188587.db2.gz HMNRGZFCAGDYOW-MRVPVSSYSA-N 0 3 240.372 2.371 10 0 BEAEHN CCOc1cccc(CN)c1OC(F)F ZINC000036672516 343322228 /nfs/dbraw/zinc/32/22/28/343322228.db2.gz FVVHPXBQBQMVBO-UHFFFAOYSA-N 0 3 217.215 2.145 10 0 BEAEHN CCC[C@H](N)C(=O)Nc1cccc2cccnc21 ZINC000036872664 343325971 /nfs/dbraw/zinc/32/59/71/343325971.db2.gz GOQOMEXALKGMDM-NSHDSACASA-N 0 3 243.310 2.301 10 0 BEAEHN CO[C@H]1CCN[C@@H](c2ccc(F)cc2)C1 ZINC000201869903 343391662 /nfs/dbraw/zinc/39/16/62/343391662.db2.gz YPGXFZXEZBGZLM-NWDGAFQWSA-N 0 3 209.264 2.265 10 0 BEAEHN c1ccc2cc([C@@H]3CCOCCN3)ncc2c1 ZINC000616661114 343532831 /nfs/dbraw/zinc/53/28/31/343532831.db2.gz WVXKQIBMRUJFSI-ZDUSSCGKSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)N1CCOC[C@@H](c2cccc(N)c2)C1 ZINC000616661797 343533910 /nfs/dbraw/zinc/53/39/10/343533910.db2.gz YMPZONYYQYMDIT-ZDUSSCGKSA-N 0 3 234.343 2.093 10 0 BEAEHN COC(C)(C)C[C@@H]1NC[C@@H](C)CS1 ZINC000234615291 343608530 /nfs/dbraw/zinc/60/85/30/343608530.db2.gz OPHADAUENBYTOI-RKDXNWHRSA-N 0 3 203.351 2.100 10 0 BEAEHN CC[C@@]1(COC)NCCc2ccsc21 ZINC000712545339 537794005 /nfs/dbraw/zinc/79/40/05/537794005.db2.gz NLXKSZZPDWBRFD-NSHDSACASA-N 0 3 211.330 2.146 10 0 BEAEHN O=C1CCN2C[C@@H](c3ccccc3F)C[C@H]2C1 ZINC000205002063 343611024 /nfs/dbraw/zinc/61/10/24/343611024.db2.gz YDYXSUWRRBQAET-QWRGUYRKSA-N 0 3 233.286 2.347 10 0 BEAEHN c1cc2c(s1)[C@@]1(CO[C@H](C3CC3)C1)NCC2 ZINC000712523766 537789375 /nfs/dbraw/zinc/78/93/75/537789375.db2.gz SMZVVGQKYRCZRW-WCQYABFASA-N 0 3 235.352 2.288 10 0 BEAEHN CCOC[C@]1(C)NCCc2ccsc21 ZINC000712536715 537789419 /nfs/dbraw/zinc/78/94/19/537789419.db2.gz HKINPCCPJAXLNP-NSHDSACASA-N 0 3 211.330 2.146 10 0 BEAEHN CC(C)CN(CC(C)C)C(=O)[C@H]1CCCCN1 ZINC000036199907 343779731 /nfs/dbraw/zinc/77/97/31/343779731.db2.gz XOMQTXVBZMYSNO-CYBMUJFWSA-N 0 3 240.391 2.269 10 0 BEAEHN CCn1c2ncccc2nc1[C@H](N)CC(C)C ZINC000111349104 343786148 /nfs/dbraw/zinc/78/61/48/343786148.db2.gz GGURNKRKVZFNHB-SNVBAGLBSA-N 0 3 232.331 2.497 10 0 BEAEHN C[C@H]1CNCCN1c1nccc2sccc21 ZINC000054374975 343789606 /nfs/dbraw/zinc/78/96/06/343789606.db2.gz YTSUJUNQMYPUPU-VIFPVBQESA-N 0 3 233.340 2.094 10 0 BEAEHN NC[C@H](F)Cc1ccc(Br)cc1 ZINC000156345354 343791435 /nfs/dbraw/zinc/79/14/35/343791435.db2.gz WPJBQHXNPIIBFF-SECBINFHSA-N 0 3 232.096 2.288 10 0 BEAEHN CC(C)CN1CCOc2ccc(CO)cc2C1 ZINC000409423990 343816840 /nfs/dbraw/zinc/81/68/40/343816840.db2.gz WMWRONFGUDBYQR-UHFFFAOYSA-N 0 3 235.327 2.029 10 0 BEAEHN Clc1ccc2c(c1)CCC1(CNC1)O2 ZINC000409431765 343822987 /nfs/dbraw/zinc/82/29/87/343822987.db2.gz KSGIRVNHDYLWDQ-UHFFFAOYSA-N 0 3 209.676 2.007 10 0 BEAEHN CC(C)(C)Cc1cc(CN)nc(C2CC2)n1 ZINC000409440658 343853029 /nfs/dbraw/zinc/85/30/29/343853029.db2.gz YFIXCXZUHISEQT-UHFFFAOYSA-N 0 3 219.332 2.401 10 0 BEAEHN NCc1c(C2CCC2)n[nH]c1C1CCC1 ZINC000409441017 343854937 /nfs/dbraw/zinc/85/49/37/343854937.db2.gz PFAQVSDVLHROGZ-UHFFFAOYSA-N 0 3 205.305 2.403 10 0 BEAEHN CC(C)(C)c1cc(CN)nc(C2CC2)n1 ZINC000409436990 343841920 /nfs/dbraw/zinc/84/19/20/343841920.db2.gz AUJJTWGIHRHROQ-UHFFFAOYSA-N 0 3 205.305 2.110 10 0 BEAEHN NCc1cc(Cc2cccs2)nc(C2CC2)n1 ZINC000409437637 343842971 /nfs/dbraw/zinc/84/29/71/343842971.db2.gz HXGJVRYKQNNOCB-UHFFFAOYSA-N 0 3 245.351 2.465 10 0 BEAEHN CN1C[C@H](CO)C[C@H]1c1ccc(Cl)cc1 ZINC000409437631 343843061 /nfs/dbraw/zinc/84/30/61/343843061.db2.gz AKWHEZZITCJFAD-SKDRFNHKSA-N 0 3 225.719 2.325 10 0 BEAEHN NCc1cc(-c2ccco2)nc(C2CC2)n1 ZINC000409438054 343849446 /nfs/dbraw/zinc/84/94/46/343849446.db2.gz JZLHIRWVTAONDR-UHFFFAOYSA-N 0 3 215.256 2.073 10 0 BEAEHN NCc1cc(-c2cccs2)nn1CC1CC1 ZINC000409443247 343866791 /nfs/dbraw/zinc/86/67/91/343866791.db2.gz JUXATSWUGALGBL-UHFFFAOYSA-N 0 3 233.340 2.480 10 0 BEAEHN CNCc1cnn(C/C=C/c2ccccc2)c1 ZINC000575623305 343875507 /nfs/dbraw/zinc/87/55/07/343875507.db2.gz HIKCRBWPQFEGHY-VMPITWQZSA-N 0 3 227.311 2.316 10 0 BEAEHN CC[C@@H](N)c1ccc(OC)c(OC)c1OC ZINC000036200737 343970743 /nfs/dbraw/zinc/97/07/43/343970743.db2.gz JCCKAQKNYZUQIV-SECBINFHSA-N 0 3 225.288 2.122 10 0 BEAEHN COC(=O)c1ccc(CN[C@@H]2C[C@H]2C)cc1F ZINC000234596668 344155319 /nfs/dbraw/zinc/15/53/19/344155319.db2.gz GFHGRXMDZWFABT-PRHODGIISA-N 0 3 237.274 2.110 10 0 BEAEHN CCC[C@@H](N)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400075532 344278539 /nfs/dbraw/zinc/27/85/39/344278539.db2.gz OCBUCINDWPHLGN-IFWUJCSASA-N 0 3 238.375 2.056 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000092677463 344301234 /nfs/dbraw/zinc/30/12/34/344301234.db2.gz SEOLVZXLRDKDDD-CQSZACIVSA-N 0 3 246.354 2.243 10 0 BEAEHN C[C@H](N)c1csc(-c2ccncc2)n1 ZINC000011568397 344376382 /nfs/dbraw/zinc/37/63/82/344376382.db2.gz BWMRZSQVGCYFOI-ZETCQYMHSA-N 0 3 205.286 2.225 10 0 BEAEHN OCc1cnccc1NCc1ccccc1 ZINC000143023835 344399290 /nfs/dbraw/zinc/39/92/90/344399290.db2.gz RTGKTXXPBLDWDX-UHFFFAOYSA-N 0 3 214.268 2.186 10 0 BEAEHN COc1cc([C@@H](F)CN)ccc1Cl ZINC000158078647 344400648 /nfs/dbraw/zinc/40/06/48/344400648.db2.gz PPIDSFKRRCDBKV-QMMMGPOBSA-N 0 3 203.644 2.318 10 0 BEAEHN CCN1CCC[C@H](Nc2cncc(Cl)n2)C1 ZINC000043538089 344527026 /nfs/dbraw/zinc/52/70/26/344527026.db2.gz BHKVPOZDNMJQDZ-VIFPVBQESA-N 0 3 240.738 2.026 10 0 BEAEHN C[C@@H]1CCC[C@@H](n2cnc(CN)c2)[C@H]1C ZINC000300720926 537853168 /nfs/dbraw/zinc/85/31/68/537853168.db2.gz CKWOTZLRTMXXQP-JFGNBEQYSA-N 0 3 207.321 2.339 10 0 BEAEHN CC[C@](F)(CN)c1cccc(F)c1F ZINC000158336309 344600592 /nfs/dbraw/zinc/60/05/92/344600592.db2.gz YUPPTQZZMAWJKP-JTQLQIEISA-N 0 3 203.207 2.498 10 0 BEAEHN CC[C@@](F)(CN)c1cccc(F)c1F ZINC000158336174 344600820 /nfs/dbraw/zinc/60/08/20/344600820.db2.gz YUPPTQZZMAWJKP-SNVBAGLBSA-N 0 3 203.207 2.498 10 0 BEAEHN C[C@@H]([C@@H]1NCCc2nc[nH]c21)C(C)(C)C ZINC000400372173 537853455 /nfs/dbraw/zinc/85/34/55/537853455.db2.gz BFCJCHLLSPZVLX-WPRPVWTQSA-N 0 3 207.321 2.279 10 0 BEAEHN NC[C@@H](OC(N)=O)c1cccc(Cl)c1Cl ZINC000113415229 344660063 /nfs/dbraw/zinc/66/00/63/344660063.db2.gz MBJQWYMUCUTIND-SSDOTTSWSA-N 0 3 249.097 2.089 10 0 BEAEHN CSC[C@H](C)NC1=N[C@H](C)CCS1 ZINC000127844825 344666213 /nfs/dbraw/zinc/66/62/13/344666213.db2.gz LVIGVVIUUHTQPU-SFYZADRCSA-N 0 3 218.391 2.209 10 0 BEAEHN Cn1ccnc1NCCc1ccsc1 ZINC000050606357 344719816 /nfs/dbraw/zinc/71/98/16/344719816.db2.gz JQIABDMYYQUWJV-UHFFFAOYSA-N 0 3 207.302 2.136 10 0 BEAEHN CC(C)(C)NCC(=O)c1ccc(F)cc1 ZINC000000335621 344704469 /nfs/dbraw/zinc/70/44/69/344704469.db2.gz XPUMPEPISIBJOB-UHFFFAOYSA-N 0 3 209.264 2.397 10 0 BEAEHN CSC(C)(C)C[C@@H]1NCCc2nc[nH]c21 ZINC000400420406 537856655 /nfs/dbraw/zinc/85/66/55/537856655.db2.gz XISVMZOSAMUQND-VIFPVBQESA-N 0 3 225.361 2.128 10 0 BEAEHN CC1(C)CCC[C@@]2(C1)NCCc1nc[nH]c12 ZINC000400455508 537857079 /nfs/dbraw/zinc/85/70/79/537857079.db2.gz QFYMUAIOWPHBAJ-ZDUSSCGKSA-N 0 3 219.332 2.351 10 0 BEAEHN NC[C@H](F)Cc1cc(F)ccc1Cl ZINC000166306059 344852035 /nfs/dbraw/zinc/85/20/35/344852035.db2.gz HAKSQSKNGHXBGM-MRVPVSSYSA-N 0 3 205.635 2.318 10 0 BEAEHN CCCNc1ncc(Br)cc1CN ZINC000166329542 344858218 /nfs/dbraw/zinc/85/82/18/344858218.db2.gz WJEOWYARMZAKIZ-UHFFFAOYSA-N 0 3 244.136 2.125 10 0 BEAEHN C[C@@H]1CCS[C@H]([C@@H]2CCSC2)N1 ZINC000224675421 344966241 /nfs/dbraw/zinc/96/62/41/344966241.db2.gz LQLIJEPBHNYBSU-IWSPIJDZSA-N 0 3 203.376 2.181 10 0 BEAEHN N[C@H](CCO)c1c(F)cccc1C(F)(F)F ZINC000044233024 344988496 /nfs/dbraw/zinc/98/84/96/344988496.db2.gz AORJHECBDUIXKH-MRVPVSSYSA-N 0 3 237.196 2.227 10 0 BEAEHN N[C@@H](CCO)c1cc(Cl)ccc1Cl ZINC000044233275 344989154 /nfs/dbraw/zinc/98/91/54/344989154.db2.gz WCGWYAUSIHNSOJ-VIFPVBQESA-N 0 3 220.099 2.376 10 0 BEAEHN CCC[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155364385 345077123 /nfs/dbraw/zinc/07/71/23/345077123.db2.gz KPNANEFQAQQMBJ-RWMBFGLXSA-N 0 3 240.391 2.268 10 0 BEAEHN NC[C@H](N)c1ccccc1OCc1ccccc1 ZINC000044468995 345085130 /nfs/dbraw/zinc/08/51/30/345085130.db2.gz CADMDHLGOQJMJH-AWEZNQCLSA-N 0 3 242.322 2.224 10 0 BEAEHN COc1cc(F)cc(CN[C@H]2CCO[C@H]2C)c1 ZINC000090972463 345578134 /nfs/dbraw/zinc/57/81/34/345578134.db2.gz NXJDRRJQMISCNV-ZANVPECISA-N 0 3 239.290 2.101 10 0 BEAEHN Cc1ccc([C@H](N)Cn2ccccc2=O)c(C)c1 ZINC000022566015 178907987 /nfs/dbraw/zinc/90/79/87/178907987.db2.gz NMCNHMSQNNCDSQ-CQSZACIVSA-N 0 3 242.322 2.165 10 0 BEAEHN CC[C@@H](C)Nc1cc(N)nc(C2CC2)n1 ZINC000087908932 345939958 /nfs/dbraw/zinc/93/99/58/345939958.db2.gz DBVPVXBSBLIVKP-SSDOTTSWSA-N 0 3 206.293 2.147 10 0 BEAEHN Cc1nc(N)cc(NC2CCCCC2)n1 ZINC000087806597 345941868 /nfs/dbraw/zinc/94/18/68/345941868.db2.gz VVYDALIRQBKSMA-UHFFFAOYSA-N 0 3 206.293 2.112 10 0 BEAEHN CC[C@H]1CCCCN1c1cc(N)nc(C)n1 ZINC000087808995 345941881 /nfs/dbraw/zinc/94/18/81/345941881.db2.gz WDSYJVMLNQJBKM-JTQLQIEISA-N 0 3 220.320 2.136 10 0 BEAEHN Cc1nc(N)cc(NCc2cccs2)n1 ZINC000087808666 345942419 /nfs/dbraw/zinc/94/24/19/345942419.db2.gz DXTPVDVBMPGKBD-UHFFFAOYSA-N 0 3 220.301 2.041 10 0 BEAEHN c1cc2c(s1)CCN[C@H]2[C@@H]1CCCO1 ZINC000307642587 537924523 /nfs/dbraw/zinc/92/45/23/537924523.db2.gz MCDOPERHCKBCMQ-GXSJLCMTSA-N 0 3 209.314 2.114 10 0 BEAEHN c1cc2c(s1)CCN[C@@H]2[C@@H]1CCCO1 ZINC000307642590 537924552 /nfs/dbraw/zinc/92/45/52/537924552.db2.gz MCDOPERHCKBCMQ-ONGXEEELSA-N 0 3 209.314 2.114 10 0 BEAEHN C[C@H]1Oc2cc(F)c(Br)cc2[C@H]1N ZINC000148400630 346087625 /nfs/dbraw/zinc/08/76/25/346087625.db2.gz FPSKEIWZXGUYPV-MOFOKWOHSA-N 0 3 246.079 2.369 10 0 BEAEHN CCCc1nc(Cl)c(C)c(NN(C)C)n1 ZINC000149618044 346133178 /nfs/dbraw/zinc/13/31/78/346133178.db2.gz XHPIVQGNJACXBN-UHFFFAOYSA-N 0 3 228.727 2.279 10 0 BEAEHN Cc1cccc(-c2nc(C)cc(CN)n2)c1 ZINC000020383562 178995580 /nfs/dbraw/zinc/99/55/80/178995580.db2.gz QKMUOQFSOBCIIQ-UHFFFAOYSA-N 0 3 213.284 2.219 10 0 BEAEHN Cc1cccc(CCNCc2cncnc2)c1 ZINC000054768224 179058123 /nfs/dbraw/zinc/05/81/23/179058123.db2.gz ORBVDSSCNPSJAO-UHFFFAOYSA-N 0 3 227.311 2.117 10 0 BEAEHN CCN(CC)Cc1cc(CN)c(F)cc1F ZINC000669379957 537982051 /nfs/dbraw/zinc/98/20/51/537982051.db2.gz NJQKVOXGMCAKHE-UHFFFAOYSA-N 0 3 228.286 2.265 10 0 BEAEHN Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C)N2)c1 ZINC000019488085 179138983 /nfs/dbraw/zinc/13/89/83/179138983.db2.gz ARBOOHRKBAEREK-AAEUAGOBSA-N 0 3 232.327 2.464 10 0 BEAEHN C[C@H](NCc1n[nH]c2ccccc21)[C@H]1CCCO1 ZINC000589641338 346721932 /nfs/dbraw/zinc/72/19/32/346721932.db2.gz NKSYFBKULBVPBK-IINYFYTJSA-N 0 3 245.326 2.220 10 0 BEAEHN C[C@H](NCc1[nH]nc2ccccc21)[C@H]1CCCO1 ZINC000589641338 346721935 /nfs/dbraw/zinc/72/19/35/346721935.db2.gz NKSYFBKULBVPBK-IINYFYTJSA-N 0 3 245.326 2.220 10 0 BEAEHN CCCNCc1sncc1Br ZINC000669380169 537986078 /nfs/dbraw/zinc/98/60/78/537986078.db2.gz SQTXXLZKWGRTHT-UHFFFAOYSA-N 0 3 235.150 2.405 10 0 BEAEHN Cc1cccc(N[C@@]2(CO)CCN(C3CC3)C2)c1 ZINC000061992125 179156610 /nfs/dbraw/zinc/15/66/10/179156610.db2.gz CGVHFAODEATQMM-HNNXBMFYSA-N 0 3 246.354 2.006 10 0 BEAEHN Cc1cccc(OCCN2CCC[C@H](O)[C@H]2C)c1 ZINC000295093505 179167343 /nfs/dbraw/zinc/16/73/43/179167343.db2.gz AHARWPSWWKWASW-HIFRSBDPSA-N 0 3 249.354 2.219 10 0 BEAEHN NCc1cccc(Br)c1N1CCC1 ZINC000402965101 347119411 /nfs/dbraw/zinc/11/94/11/347119411.db2.gz OCQAASXQFJAELN-UHFFFAOYSA-N 0 3 241.132 2.118 10 0 BEAEHN CCCCC1=N[C@H](C)C(C(=O)OCC)=C(C)N1 ZINC000038437478 347165064 /nfs/dbraw/zinc/16/50/64/347165064.db2.gz VZTGMOQLYBPPBY-SECBINFHSA-N 0 3 238.331 2.404 10 0 BEAEHN Cc1cccc([C@@](O)(CN)C(F)(F)F)c1C ZINC000062784583 179192007 /nfs/dbraw/zinc/19/20/07/179192007.db2.gz KCGMXFSRQCOMFS-JTQLQIEISA-N 0 3 233.233 2.012 10 0 BEAEHN c1cc2c(o1)CCN[C@@]21C[C@H]2CCC[C@H]21 ZINC000725242866 537988638 /nfs/dbraw/zinc/98/86/38/537988638.db2.gz HIBWAUBCRGTXDN-GIPNMCIBSA-N 0 3 203.285 2.441 10 0 BEAEHN Cc1ccc([C@H]2CNC(C)(C)CO2)s1 ZINC000036673115 347431642 /nfs/dbraw/zinc/43/16/42/347431642.db2.gz SPSUPOUHGAXXAT-SECBINFHSA-N 0 3 211.330 2.496 10 0 BEAEHN Cc1ccccc1C(=O)[C@H]1CCCCN1 ZINC000071508661 179253995 /nfs/dbraw/zinc/25/39/95/179253995.db2.gz NVIJQFQMUSSCSW-GFCCVEGCSA-N 0 3 203.285 2.320 10 0 BEAEHN Cc1ccccc1CNC1=NCCS1 ZINC000013476051 179281349 /nfs/dbraw/zinc/28/13/49/179281349.db2.gz XKHYNSGLWAWLMO-UHFFFAOYSA-N 0 3 206.314 2.187 10 0 BEAEHN Cc1ccccc1CNC(=O)[C@H]1CCC[C@H](C)N1 ZINC000048265959 179279670 /nfs/dbraw/zinc/27/96/70/179279670.db2.gz KSYZTDQFWIHRIZ-GXTWGEPZSA-N 0 3 246.354 2.142 10 0 BEAEHN Cc1ccccc1N(C)C(=O)[C@H]1CCC[C@H](C)N1 ZINC000049990845 179294438 /nfs/dbraw/zinc/29/44/38/179294438.db2.gz IPFPHYLYXMKAIA-QWHCGFSZSA-N 0 3 246.354 2.488 10 0 BEAEHN Cc1ccccc1NC(=O)[C@@H]1CCC[C@H](C)N1 ZINC000019439668 179301345 /nfs/dbraw/zinc/30/13/45/179301345.db2.gz SUHYMVVYTIPOSB-AAEUAGOBSA-N 0 3 232.327 2.464 10 0 BEAEHN Cc1ccccc1NCCN1CCSCC1 ZINC000053374339 179304441 /nfs/dbraw/zinc/30/44/41/179304441.db2.gz FCLOKCODMRMCMY-UHFFFAOYSA-N 0 3 236.384 2.456 10 0 BEAEHN Cc1ccccc1NC(=O)CN[C@@H](C)C1CC1 ZINC000035142217 179298391 /nfs/dbraw/zinc/29/83/91/179298391.db2.gz DQKCDYYNHFUKIX-NSHDSACASA-N 0 3 232.327 2.322 10 0 BEAEHN Cc1ccccc1[C@@H](N)COC[C@H]1CCOC1 ZINC000049689341 179325309 /nfs/dbraw/zinc/32/53/09/179325309.db2.gz PVUBOTCSJIWUGB-JSGCOSHPSA-N 0 3 235.327 2.048 10 0 BEAEHN Cc1ccccc1[C@@H](N)CN1CCCCCC1=O ZINC000019391617 179325523 /nfs/dbraw/zinc/32/55/23/179325523.db2.gz LOWPHUYGWPCPLR-AWEZNQCLSA-N 0 3 246.354 2.397 10 0 BEAEHN CC(C)NCc1csnc1OC(C)C ZINC000669381785 537995422 /nfs/dbraw/zinc/99/54/22/537995422.db2.gz VJSCFJMMEQZAMI-UHFFFAOYSA-N 0 3 214.334 2.428 10 0 BEAEHN Cc1ccccc1[C@H]1CNCC(C)(C)O1 ZINC000011803100 179349016 /nfs/dbraw/zinc/34/90/16/179349016.db2.gz FGCRXQZEHMFYFN-GFCCVEGCSA-N 0 3 205.301 2.435 10 0 BEAEHN Cc1ccccc1[C@H](CN)N1C[C@H](C)OC[C@@H]1C ZINC000035783326 179341912 /nfs/dbraw/zinc/34/19/12/179341912.db2.gz UHHCAYBXLHVEEI-YDHLFZDLSA-N 0 3 248.370 2.104 10 0 BEAEHN Cc1ccccc1[C@H](N)Cn1cccc(C)c1=O ZINC000062985913 179343732 /nfs/dbraw/zinc/34/37/32/179343732.db2.gz CLOPZNMMPCUIHW-CQSZACIVSA-N 0 3 242.322 2.165 10 0 BEAEHN Cc1ccccc1[C@H](N)COC[C@@H]1CCOC1 ZINC000049689338 179344237 /nfs/dbraw/zinc/34/42/37/179344237.db2.gz PVUBOTCSJIWUGB-TZMCWYRMSA-N 0 3 235.327 2.048 10 0 BEAEHN C[C@@H]1CCCN(c2nc(CN)ccc2Cl)C1 ZINC000669381917 537998659 /nfs/dbraw/zinc/99/86/59/537998659.db2.gz ADFZGSGSJKUDQT-SECBINFHSA-N 0 3 239.750 2.430 10 0 BEAEHN Cc1ccoc1C(=O)N(C)c1cccc(CN)c1 ZINC000061950239 179503277 /nfs/dbraw/zinc/50/32/77/179503277.db2.gz YCQKOGJSAYEWPK-UHFFFAOYSA-N 0 3 244.294 2.323 10 0 BEAEHN Cc1cnc(C)c(Nc2ccccc2CN)n1 ZINC000104309952 179582222 /nfs/dbraw/zinc/58/22/22/179582222.db2.gz FAPBTNNGVRNPHP-UHFFFAOYSA-N 0 3 228.299 2.296 10 0 BEAEHN N[C@H]1C[C@]12CNc1c2cccc1C(F)(F)F ZINC000725246908 538008306 /nfs/dbraw/zinc/00/83/06/538008306.db2.gz APCKXFZRSPXWKV-WCBMZHEXSA-N 0 3 228.217 2.100 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)[C@]1(C[C@@H]1N)CN2 ZINC000725246988 538011575 /nfs/dbraw/zinc/01/15/75/538011575.db2.gz CPGFOMCYNGSSPO-JSGCOSHPSA-N 0 3 216.328 2.378 10 0 BEAEHN Cc1c2c(ccc1Cl)[C@]1(C[C@H]1N)CN2 ZINC000725247085 538011745 /nfs/dbraw/zinc/01/17/45/538011745.db2.gz GUUNLCLDKACBFW-KOLCDFICSA-N 0 3 208.692 2.043 10 0 BEAEHN Cc1cc2c(c(Cl)c1)NC[C@@]21C[C@H]1N ZINC000725247656 538014211 /nfs/dbraw/zinc/01/42/11/538014211.db2.gz UBMJZBUCFKWSTC-KOLCDFICSA-N 0 3 208.692 2.043 10 0 BEAEHN CCCCN(CCCC)C(=O)[C@@H](C)NC ZINC000054071902 348874636 /nfs/dbraw/zinc/87/46/36/348874636.db2.gz CVUQXLMJLVLFQU-LLVKDONJSA-N 0 3 214.353 2.023 10 0 BEAEHN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)NC ZINC000054074763 348876339 /nfs/dbraw/zinc/87/63/39/348876339.db2.gz SXIJULXWAPEZOU-CHWSQXEVSA-N 0 3 248.370 2.422 10 0 BEAEHN CN[C@H](C)C(=O)N(CC1CCCCC1)C1CC1 ZINC000054075318 348878087 /nfs/dbraw/zinc/87/80/87/348878087.db2.gz WOZIXKKQCUMHFA-LLVKDONJSA-N 0 3 238.375 2.166 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000054072947 348888338 /nfs/dbraw/zinc/88/83/38/348888338.db2.gz DEDQGUMUNCQPRM-GRYCIOLGSA-N 0 3 240.391 2.315 10 0 BEAEHN C[C@H]1CC[C@H](O)CN1Cc1ccc(F)cc1 ZINC000399292581 323203134 /nfs/dbraw/zinc/20/31/34/323203134.db2.gz SMNBJBAVGQFGFS-GWCFXTLKSA-N 0 3 223.291 2.171 10 0 BEAEHN C[C@@H](N)c1ccccc1OC[C@@H]1CCCO1 ZINC000022178192 187419823 /nfs/dbraw/zinc/41/98/23/187419823.db2.gz DGCINBYBJHSKSC-MNOVXSKESA-N 0 3 221.300 2.264 10 0 BEAEHN Cc1nn(C)c(C)c1-c1ccc(CN)c(F)c1 ZINC000038073163 187426558 /nfs/dbraw/zinc/42/65/58/187426558.db2.gz PMBOSJCURHJTPF-UHFFFAOYSA-N 0 3 233.290 2.302 10 0 BEAEHN CC1=NC[C@H](C)NC(C)=C1Br ZINC000039109909 187427767 /nfs/dbraw/zinc/42/77/67/187427767.db2.gz UFNYPXJLQSZLCC-YFKPBYRVSA-N 0 3 217.110 2.065 10 0 BEAEHN Cc1nc(-c2ccco2)ncc1[C@@H](C)N ZINC000054962556 179868687 /nfs/dbraw/zinc/86/86/87/179868687.db2.gz XVLWODBAVZCAKQ-SSDOTTSWSA-N 0 3 203.245 2.065 10 0 BEAEHN NCc1nsc2c1ccc(F)c2F ZINC000725254049 538042765 /nfs/dbraw/zinc/04/27/65/538042765.db2.gz CUTILXCHSASPSP-UHFFFAOYSA-N 0 3 200.213 2.033 10 0 BEAEHN C[C@H](c1ccncc1)N1CCN2CCCC[C@H]2C1 ZINC000251266742 538043248 /nfs/dbraw/zinc/04/32/48/538043248.db2.gz MVMIQTZTLIYTRI-HIFRSBDPSA-N 0 3 245.370 2.313 10 0 BEAEHN Cc1nc(N2C[C@H](C)C[C@H](C)C2)sc1CN ZINC000054994984 180003439 /nfs/dbraw/zinc/00/34/39/180003439.db2.gz WRCHKBLXWREFFV-DTORHVGOSA-N 0 3 239.388 2.393 10 0 BEAEHN Cc1nc(N2C[C@@H](C)C[C@H](C)C2)sc1CN ZINC000054994985 180003778 /nfs/dbraw/zinc/00/37/78/180003778.db2.gz WRCHKBLXWREFFV-IUCAKERBSA-N 0 3 239.388 2.393 10 0 BEAEHN Cc1nc([C@H]2CCCOC2)c(N)n1CC(C)C ZINC000104317245 180057672 /nfs/dbraw/zinc/05/76/72/180057672.db2.gz XTPOLJYDRYPLDO-NSHDSACASA-N 0 3 237.347 2.324 10 0 BEAEHN Cc1nc([C@]2(N)CCCSC2)sc1C ZINC000061590697 180059290 /nfs/dbraw/zinc/05/92/90/180059290.db2.gz MTWYYMYSIAAZGA-JTQLQIEISA-N 0 3 228.386 2.441 10 0 BEAEHN Cc1nc2c(Cl)cc(Cl)cn2c1CN ZINC000036244231 180064744 /nfs/dbraw/zinc/06/47/44/180064744.db2.gz UYHCINNRCPWOLP-UHFFFAOYSA-N 0 3 230.098 2.408 10 0 BEAEHN C[C@H](CCNCc1ccccc1F)[S@@](C)=O ZINC000132594800 191034652 /nfs/dbraw/zinc/03/46/52/191034652.db2.gz LHKTYJKHGABGND-HWPZZCPQSA-N 0 3 243.347 2.072 10 0 BEAEHN Cc1nc2ccc(Cl)cn2c1[C@@H](C)N ZINC000031918713 180090876 /nfs/dbraw/zinc/09/08/76/180090876.db2.gz JEHBZPQKGBDLEF-ZCFIWIBFSA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1nc2ccc(N[C@H]3CCC[N@H+](C)C3)cc2[nH]1 ZINC000075184396 180096342 /nfs/dbraw/zinc/09/63/42/180096342.db2.gz STLXGWQEALCTGQ-LBPRGKRZSA-N 0 3 244.342 2.377 10 0 BEAEHN Cc1nc2cc(N[C@H]3CCCN(C)C3)ccc2[nH]1 ZINC000075184396 180096343 /nfs/dbraw/zinc/09/63/43/180096343.db2.gz STLXGWQEALCTGQ-LBPRGKRZSA-N 0 3 244.342 2.377 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2NC[C@H]1CC=CCC1 ZINC000124457832 180111132 /nfs/dbraw/zinc/11/11/32/180111132.db2.gz CESHWXKIGUVWNQ-QWHCGFSZSA-N 0 3 246.358 2.367 10 0 BEAEHN CC(C)N1CCCC[C@H]1CNC(F)(F)F ZINC000095088274 191053532 /nfs/dbraw/zinc/05/35/32/191053532.db2.gz RHLZBUPWYMQHMY-VIFPVBQESA-N 0 3 224.270 2.359 10 0 BEAEHN CCN=C1N[C@@H](c2ccccc2)CS1 ZINC000063001136 350200459 /nfs/dbraw/zinc/20/04/59/350200459.db2.gz JVYFJVOQSPQWIB-SNVBAGLBSA-N 0 3 206.314 2.440 10 0 BEAEHN Cc1ncc(CNC2=NC[C@H](C)S2)s1 ZINC000049534275 180150438 /nfs/dbraw/zinc/15/04/38/180150438.db2.gz AIWJTYHLSHCLPQ-LURJTMIESA-N 0 3 227.358 2.032 10 0 BEAEHN Cc1nccc(CN[C@@H](C)CC(C)C)n1 ZINC000038037370 180190763 /nfs/dbraw/zinc/19/07/63/180190763.db2.gz SUWFMMWDQSALDQ-JTQLQIEISA-N 0 3 207.321 2.309 10 0 BEAEHN Cc1nccn1-c1nc(CN)cc2ccccc21 ZINC000051490884 180231256 /nfs/dbraw/zinc/23/12/56/180231256.db2.gz BUXBPCVMDALVIK-UHFFFAOYSA-N 0 3 238.294 2.188 10 0 BEAEHN CC[C@H](C)c1nc2ccccn2c1CN ZINC000725259733 538080968 /nfs/dbraw/zinc/08/09/68/538080968.db2.gz HNIZXDWUYMUYBO-VIFPVBQESA-N 0 3 203.289 2.307 10 0 BEAEHN Cc1nccn1C[C@@H]1CCCN1C/C=C/Cl ZINC000178293874 180265178 /nfs/dbraw/zinc/26/51/78/180265178.db2.gz DSOKJAIHGONLGB-PYEVWLCESA-N 0 3 239.750 2.408 10 0 BEAEHN Cc1nccn1[C@@H](CN)c1ccc(Cl)s1 ZINC000043254338 180271648 /nfs/dbraw/zinc/27/16/48/180271648.db2.gz NRPSDAJYHFQQMQ-QMMMGPOBSA-N 0 3 241.747 2.455 10 0 BEAEHN Cc1ncn([C@H](CN)c2cccs2)c1C ZINC000051925854 180289954 /nfs/dbraw/zinc/28/99/54/180289954.db2.gz INAGVPMQIPVPGW-SNVBAGLBSA-N 0 3 221.329 2.110 10 0 BEAEHN Cc1csc(CNc2ccncc2)n1 ZINC000038091744 350304410 /nfs/dbraw/zinc/30/44/10/350304410.db2.gz LTXZDMJXKGCAGM-UHFFFAOYSA-N 0 3 205.286 2.459 10 0 BEAEHN N[C@H](CO)c1ccc(SC(F)(F)F)cc1 ZINC000038124672 350307067 /nfs/dbraw/zinc/30/70/67/350307067.db2.gz GADBDLXQPZPQLW-MRVPVSSYSA-N 0 3 237.246 2.291 10 0 BEAEHN Cc1ncn(C[C@@H](N)c2ccccc2)c1C ZINC000051926528 180287128 /nfs/dbraw/zinc/28/71/28/180287128.db2.gz ZDZUQKVFUIKVQT-CYBMUJFWSA-N 0 3 215.300 2.200 10 0 BEAEHN Cc1ncsc1C(=O)Nc1cccc(CN)c1 ZINC000063190967 180307060 /nfs/dbraw/zinc/30/70/60/180307060.db2.gz SFIXMHFAKDGVFA-UHFFFAOYSA-N 0 3 247.323 2.163 10 0 BEAEHN Cc1nn(C)c(C)c1[C@@H](C)N[C@H]1CC1(C)C ZINC000045172928 180347809 /nfs/dbraw/zinc/34/78/09/180347809.db2.gz URKWWFQWIJTTDW-KCJUWKMLSA-N 0 3 221.348 2.486 10 0 BEAEHN C[C@H](c1ccccc1)c1cc(CN)ncn1 ZINC000409436500 350479562 /nfs/dbraw/zinc/47/95/62/350479562.db2.gz CKRBQTDADMJIQW-SNVBAGLBSA-N 0 3 213.284 2.087 10 0 BEAEHN CC(C)Cn1cc(CN)c(C(F)(F)F)n1 ZINC000409439929 350482473 /nfs/dbraw/zinc/48/24/73/350482473.db2.gz QVBOMRWDEBLCKG-UHFFFAOYSA-N 0 3 221.226 2.017 10 0 BEAEHN C[C@H]1CC[C@H](C)N(Cc2cncnc2)C1 ZINC000127772564 490558001 /nfs/dbraw/zinc/55/80/01/490558001.db2.gz QPTGELZUHGPEKY-QWRGUYRKSA-N 0 3 205.305 2.097 10 0 BEAEHN COCC[C@H](C)N[C@H]1COc2ccccc21 ZINC000070068803 350498155 /nfs/dbraw/zinc/49/81/55/350498155.db2.gz SJWVCFQWSGPKMU-JQWIXIFHSA-N 0 3 221.300 2.135 10 0 BEAEHN CC(=O)Nc1ccc([C@H]2CCN(C)CCO2)cc1 ZINC000616593897 350585100 /nfs/dbraw/zinc/58/51/00/350585100.db2.gz NABNUPOTVIIYFH-CQSZACIVSA-N 0 3 248.326 2.038 10 0 BEAEHN CCN1CCO[C@@H](c2cccc(N)c2)CC1 ZINC000616595899 350611428 /nfs/dbraw/zinc/61/14/28/350611428.db2.gz ZOYKUZXWZPIDDP-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(=O)Nc1ccccc1[C@H]1CCN(C)CCO1 ZINC000616595885 350612451 /nfs/dbraw/zinc/61/24/51/350612451.db2.gz ZJKQIKIXTUXNIU-CQSZACIVSA-N 0 3 248.326 2.038 10 0 BEAEHN CCN1CCOCC[C@H]1c1ccc(OC)cc1 ZINC000616597137 350641024 /nfs/dbraw/zinc/64/10/24/350641024.db2.gz BFLOJFNNQZJXHI-AWEZNQCLSA-N 0 3 235.327 2.479 10 0 BEAEHN CCN1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000112075773 350652575 /nfs/dbraw/zinc/65/25/75/350652575.db2.gz NCZGYXBOIYVRSP-GFCCVEGCSA-N 0 3 246.358 2.250 10 0 BEAEHN C[C@@H](O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000095659330 350661227 /nfs/dbraw/zinc/66/12/27/350661227.db2.gz RHMFFVGFZDRSPL-HZGVNTEJSA-N 0 3 219.206 2.086 10 0 BEAEHN CN1CCC[C@@H]1c1cc2ccccc2nn1 ZINC000616606436 350797353 /nfs/dbraw/zinc/79/73/53/350797353.db2.gz GSDFDSCHECHLLE-CYBMUJFWSA-N 0 3 213.284 2.397 10 0 BEAEHN CCN1CCCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616615389 350846817 /nfs/dbraw/zinc/84/68/17/350846817.db2.gz IGWQWZWFKPLRQV-ZDUSSCGKSA-N 0 3 232.327 2.332 10 0 BEAEHN CN1CCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616617307 350863578 /nfs/dbraw/zinc/86/35/78/350863578.db2.gz NOLKJDHROCINTB-LBPRGKRZSA-N 0 3 227.311 2.439 10 0 BEAEHN CC(C)N1CCC[C@@H](c2cncnc2)C1 ZINC000616617385 350866575 /nfs/dbraw/zinc/86/65/75/350866575.db2.gz VBYFVYZDOHQZGO-LLVKDONJSA-N 0 3 205.305 2.064 10 0 BEAEHN C[C@@H]1C[C@@]2(C[C@H](C)O1)NC(C)(C)CS2 ZINC000252096271 350908790 /nfs/dbraw/zinc/90/87/90/350908790.db2.gz HVKVQKXTHSMSGQ-DOFRTFSJSA-N 0 3 215.362 2.385 10 0 BEAEHN Nc1cc(NCC2CC2)c(Br)cn1 ZINC000306744854 350933396 /nfs/dbraw/zinc/93/33/96/350933396.db2.gz YYADMTGTCVPLRW-UHFFFAOYSA-N 0 3 242.120 2.248 10 0 BEAEHN CN[C@H](c1ccsc1)[C@H]1OCC[C@@H]1C ZINC000129229711 351008914 /nfs/dbraw/zinc/00/89/14/351008914.db2.gz XJSGDDWEAPKOPJ-GDPRMGEGSA-N 0 3 211.330 2.434 10 0 BEAEHN COc1cc(F)c2c(c1)[C@@H](N)CSC2 ZINC000228666562 350997910 /nfs/dbraw/zinc/99/79/10/350997910.db2.gz HSLBVSGADKMKRW-JTQLQIEISA-N 0 3 213.277 2.081 10 0 BEAEHN Cn1ncc([C@@H](N)C(C)(C)C)c1Br ZINC000306806704 351059581 /nfs/dbraw/zinc/05/95/81/351059581.db2.gz KPIZLYUVSBNRHI-SSDOTTSWSA-N 0 3 246.152 2.229 10 0 BEAEHN CNc1cccc([C@@H]2CN(C(C)C)CCN2)c1 ZINC000616632069 351109923 /nfs/dbraw/zinc/10/99/23/351109923.db2.gz GKKFXRRHRNVIFU-AWEZNQCLSA-N 0 3 233.359 2.083 10 0 BEAEHN COc1ccc([C@H]2CN(C(C)(C)C)CCN2)cc1 ZINC000616632129 351110343 /nfs/dbraw/zinc/11/03/43/351110343.db2.gz MLGQXCYFVFTUGY-CQSZACIVSA-N 0 3 248.370 2.440 10 0 BEAEHN CCN1CCN[C@H](c2ccc3cnccc3c2)C1 ZINC000616633034 351114637 /nfs/dbraw/zinc/11/46/37/351114637.db2.gz XPUZNTPGODQRQR-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(=O)Nc1cccc([C@H]2CCCN2C)c1 ZINC000616634528 351117255 /nfs/dbraw/zinc/11/72/55/351117255.db2.gz SFCALAUPONZGLL-CYBMUJFWSA-N 0 3 218.300 2.412 10 0 BEAEHN CCN1CCCCC[C@@H]1c1cccnn1 ZINC000616624371 351092027 /nfs/dbraw/zinc/09/20/27/351092027.db2.gz ZJFUDUNRUGQQBB-GFCCVEGCSA-N 0 3 205.305 2.414 10 0 BEAEHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C)CC1 ZINC000616628854 351099279 /nfs/dbraw/zinc/09/92/79/351099279.db2.gz QDKKCATUIZZXBF-NSHDSACASA-N 0 3 242.363 2.338 10 0 BEAEHN CC(C)(C)N1CCOC[C@H]1c1cccc(N)c1 ZINC000616641833 351152094 /nfs/dbraw/zinc/15/20/94/351152094.db2.gz RMFSZKSVFFJYAI-ZDUSSCGKSA-N 0 3 234.343 2.441 10 0 BEAEHN c1cnc2c(c1)cccc2[C@H]1COCCCN1 ZINC000616647410 351174207 /nfs/dbraw/zinc/17/42/07/351174207.db2.gz WYGHKUMIYVJTIQ-CYBMUJFWSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616651210 351182130 /nfs/dbraw/zinc/18/21/30/351182130.db2.gz BNVNJJHPYCHIGU-CYBMUJFWSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616652572 351185822 /nfs/dbraw/zinc/18/58/22/351185822.db2.gz RXEYFMZGBKIKIR-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2ccccc2CO)C1 ZINC000616653328 351186540 /nfs/dbraw/zinc/18/65/40/351186540.db2.gz LUPXZCMVRWHMCH-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CN1CCCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616653011 351186787 /nfs/dbraw/zinc/18/67/87/351186787.db2.gz RXEYFMZGBKIKIR-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN COc1ccc([C@@H]2CN(C)CCCO2)cc1 ZINC000616651821 351189206 /nfs/dbraw/zinc/18/92/06/351189206.db2.gz PUKCJMWNFGLLCK-ZDUSSCGKSA-N 0 3 221.300 2.088 10 0 BEAEHN C[C@@H]1CN=C(NCCC(F)(F)F)S1 ZINC000063100806 351140443 /nfs/dbraw/zinc/14/04/43/351140443.db2.gz BLKAQYLYEWDUHY-RXMQYKEDSA-N 0 3 212.240 2.020 10 0 BEAEHN CNc1ccccc1[C@H]1CCOCCN1C ZINC000616655519 351195673 /nfs/dbraw/zinc/19/56/73/351195673.db2.gz FSPMYKSDTIQWCF-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN CNc1cccc([C@H]2CCOCCN2C)c1 ZINC000616655499 351196592 /nfs/dbraw/zinc/19/65/92/351196592.db2.gz FETTXJIQVWEJOI-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN c1cc2ccc([C@@H]3CCOCCN3)cc2cn1 ZINC000616657551 351199123 /nfs/dbraw/zinc/19/91/23/351199123.db2.gz DBBHNFWZVZBTNV-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616656302 351202728 /nfs/dbraw/zinc/20/27/28/351202728.db2.gz RUFZHBWXMVDLLU-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN COc1ccc([C@@H]2CCOCCN2C)cc1 ZINC000616660446 351207818 /nfs/dbraw/zinc/20/78/18/351207818.db2.gz ZZDYFBAXFXNWBG-ZDUSSCGKSA-N 0 3 221.300 2.088 10 0 BEAEHN CC(C)(C)N1CCOC[C@@H](C(F)(F)F)C1 ZINC000616661610 351210930 /nfs/dbraw/zinc/21/09/30/351210930.db2.gz UYFMEEUWKOEBNR-QMMMGPOBSA-N 0 3 225.254 2.296 10 0 BEAEHN c1cnc2cc([C@H]3CCOCCN3)ccc2c1 ZINC000616660717 351213369 /nfs/dbraw/zinc/21/33/69/351213369.db2.gz WLDTYLMJGOCGFL-CYBMUJFWSA-N 0 3 228.295 2.286 10 0 BEAEHN CN1CCOC[C@H](c2ccc3cnccc3c2)C1 ZINC000616661084 351214268 /nfs/dbraw/zinc/21/42/68/351214268.db2.gz ZXEFIJUTMULGJR-OAHLLOKOSA-N 0 3 242.322 2.280 10 0 BEAEHN c1cnc2cc([C@@H]3CCOCCN3)ccc2c1 ZINC000616661082 351214275 /nfs/dbraw/zinc/21/42/75/351214275.db2.gz WLDTYLMJGOCGFL-ZDUSSCGKSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)N1CCO[C@@H](c2cccnc2)CC1 ZINC000616666403 351226664 /nfs/dbraw/zinc/22/66/64/351226664.db2.gz RHMUJFYYNQNJFS-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](c2ccc(N)nc2)CC1 ZINC000616666577 351226830 /nfs/dbraw/zinc/22/68/30/351226830.db2.gz YYZDOOINHZMKBV-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN C1CN[C@@H]([C@@H]2CCCSC2)SC1 ZINC000306901745 351316207 /nfs/dbraw/zinc/31/62/07/351316207.db2.gz OSWCWOJSDJKULD-RKDXNWHRSA-N 0 3 203.376 2.182 10 0 BEAEHN C1CN[C@@H]([C@H]2CCCSC2)SC1 ZINC000306901743 351316749 /nfs/dbraw/zinc/31/67/49/351316749.db2.gz OSWCWOJSDJKULD-DTWKUNHWSA-N 0 3 203.376 2.182 10 0 BEAEHN Cc1nc([C@H](N)C[C@H]2CCCO2)cs1 ZINC000307052602 351450630 /nfs/dbraw/zinc/45/06/30/351450630.db2.gz USUCDDNHARBGRA-RKDXNWHRSA-N 0 3 212.318 2.020 10 0 BEAEHN C/C(=C\Cl)CN[C@@H]1COC(C)(C)C1 ZINC000307092991 351473460 /nfs/dbraw/zinc/47/34/60/351473460.db2.gz SICRBWAWPUGVNI-QRJSTWQJSA-N 0 3 203.713 2.286 10 0 BEAEHN C[C@H]1Oc2c(c(F)ccc2Cl)[C@@H]1N ZINC000307100174 351479478 /nfs/dbraw/zinc/47/94/78/351479478.db2.gz GPVIRXNKQQVPFN-SPGJFGJESA-N 0 3 201.628 2.260 10 0 BEAEHN COc1ncc(-c2csc(CN)c2)s1 ZINC000307125626 351491657 /nfs/dbraw/zinc/49/16/57/351491657.db2.gz KZDHBSFDLXMGEW-UHFFFAOYSA-N 0 3 226.326 2.339 10 0 BEAEHN C[C@@]1([C@@H](N)c2cnsc2)CCCS1 ZINC000404592645 351593770 /nfs/dbraw/zinc/59/37/70/351593770.db2.gz MHOIQYVSAHGBOQ-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN Cn1c(N)c(CC(C)(C)C)nc1C1CC1 ZINC000105064881 180616476 /nfs/dbraw/zinc/61/64/76/180616476.db2.gz QYBAUVATVDPGTA-UHFFFAOYSA-N 0 3 207.321 2.468 10 0 BEAEHN CC(C)[C@H](C)NCc1cnc([C@@H](C)O)s1 ZINC000289313696 187536343 /nfs/dbraw/zinc/53/63/43/187536343.db2.gz SIKGPMIQVWKDIR-DTWKUNHWSA-N 0 3 228.361 2.331 10 0 BEAEHN CNCc1cc2c(cc1Br)OCC2 ZINC000307314588 351989676 /nfs/dbraw/zinc/98/96/76/351989676.db2.gz LIDUJOIZYNZFOP-UHFFFAOYSA-N 0 3 242.116 2.103 10 0 BEAEHN CC(C)CC(=O)Nc1ccc2nc(CN)[nH]c2c1 ZINC000725271407 538103065 /nfs/dbraw/zinc/10/30/65/538103065.db2.gz MFOCNUQITWKZBZ-UHFFFAOYSA-N 0 3 246.314 2.006 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000638632311 352472037 /nfs/dbraw/zinc/47/20/37/352472037.db2.gz WLHSSYLBPSDCIX-LPEHRKFASA-N 0 3 248.317 2.006 10 0 BEAEHN Cc1cc([C@H](N)[C@@]2(C)C[C@H]2F)sn1 ZINC000307436302 352596100 /nfs/dbraw/zinc/59/61/00/352596100.db2.gz SWOMZABUAJWAIV-VGMNWLOBSA-N 0 3 200.282 2.199 10 0 BEAEHN CCNCc1cc(Br)co1 ZINC000307554529 352648751 /nfs/dbraw/zinc/64/87/51/352648751.db2.gz SGTGZDPXOLBEJJ-UHFFFAOYSA-N 0 3 204.067 2.152 10 0 BEAEHN Nc1ccncc1OCc1cccs1 ZINC000307568753 352657264 /nfs/dbraw/zinc/65/72/64/352657264.db2.gz WJXOJNRGQJFGDH-UHFFFAOYSA-N 0 3 206.270 2.304 10 0 BEAEHN NC1(c2ncnc3ccsc32)CCC1 ZINC000307516037 352632977 /nfs/dbraw/zinc/63/29/77/352632977.db2.gz GAIBQZAIGNDVSV-UHFFFAOYSA-N 0 3 205.286 2.029 10 0 BEAEHN CC1(C)CN(C[C@@H](N)c2cccs2)C1 ZINC000307518641 352633009 /nfs/dbraw/zinc/63/30/09/352633009.db2.gz LGYNLKSJWKIZCM-SECBINFHSA-N 0 3 210.346 2.090 10 0 BEAEHN CSC1([C@@H]2N[C@@H](C)CS2)CCC1 ZINC000307626769 352707506 /nfs/dbraw/zinc/70/75/06/352707506.db2.gz IALHFJRWSBCCSS-JGVFFNPUSA-N 0 3 203.376 2.323 10 0 BEAEHN OCc1ccc(CN2C[C@@H]3CCC[C@@H]32)cc1 ZINC000334191390 352782160 /nfs/dbraw/zinc/78/21/60/352782160.db2.gz JTRWVEFUVHOAOK-KBPBESRZSA-N 0 3 217.312 2.163 10 0 BEAEHN CCC[C@H](C(=O)NCC(CC)CC)N(C)C ZINC000152708403 538105753 /nfs/dbraw/zinc/10/57/53/538105753.db2.gz LNKYICZHIWKQCZ-GFCCVEGCSA-N 0 3 228.380 2.269 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000638804061 352978392 /nfs/dbraw/zinc/97/83/92/352978392.db2.gz AQZQFTYRUCNKII-SDDRHHMPSA-N 0 3 238.375 2.056 10 0 BEAEHN CCCCCN(C)c1c(CNC)c(C)nn1C ZINC000037171961 168686841 /nfs/dbraw/zinc/68/68/41/168686841.db2.gz DKKJKQUJYZILPC-UHFFFAOYSA-N 0 3 238.379 2.074 10 0 BEAEHN CNCc1nc2c(ccc(Cl)c2F)[nH]1 ZINC000306391486 353008920 /nfs/dbraw/zinc/00/89/20/353008920.db2.gz DXSOZQAKCVPMFI-UHFFFAOYSA-N 0 3 213.643 2.075 10 0 BEAEHN CCC(C)(C)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000638864874 353038512 /nfs/dbraw/zinc/03/85/12/353038512.db2.gz CRUCJHUANCVEPO-CQSZACIVSA-N 0 3 240.391 2.461 10 0 BEAEHN CC(C)C1CCN([C@H]2CCCC2=O)CC1 ZINC000232545159 353121928 /nfs/dbraw/zinc/12/19/28/353121928.db2.gz QNECTUBFXOEXKN-LBPRGKRZSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2CO)c2nccn21 ZINC000329285659 538108792 /nfs/dbraw/zinc/10/87/92/538108792.db2.gz OYEOJBASMVQAPI-LPWJVIDDSA-N 0 3 249.358 2.030 10 0 BEAEHN c1ccc2c(c1)OCC[C@H]2NCC1=CCCOC1 ZINC000175665129 188079765 /nfs/dbraw/zinc/07/97/65/188079765.db2.gz AYCZCLIYPUPYFE-CQSZACIVSA-N 0 3 245.322 2.447 10 0 BEAEHN CC(C)(C)c1ccc2oc([C@@H](O)CN)nc2c1 ZINC000076166951 188097546 /nfs/dbraw/zinc/09/75/46/188097546.db2.gz PRDFQNZRSLDNQY-JTQLQIEISA-N 0 3 234.299 2.117 10 0 BEAEHN CC(C)c1csc(NC(=O)[C@H](N)C(C)C)n1 ZINC000049237240 353161227 /nfs/dbraw/zinc/16/12/27/353161227.db2.gz JHHICUNNIRRRIP-SECBINFHSA-N 0 3 241.360 2.188 10 0 BEAEHN NCc1ccccc1OCCc1ccccn1 ZINC000020352409 188108545 /nfs/dbraw/zinc/10/85/45/188108545.db2.gz RDMSRQFQNCBTGL-UHFFFAOYSA-N 0 3 228.295 2.162 10 0 BEAEHN Cc1ccc([C@H](N)CN2CCO[C@H](C)C2)c(C)c1 ZINC000023067277 188108998 /nfs/dbraw/zinc/10/89/98/188108998.db2.gz NYTVHRASWMQFDP-UKRRQHHQSA-N 0 3 248.370 2.024 10 0 BEAEHN CC(C)C[C@H](C)N(C)C(=O)[C@H]1CCC[C@H](C)N1 ZINC000042592427 188121013 /nfs/dbraw/zinc/12/10/13/188121013.db2.gz ATUYFYDWRKHLKL-RWMBFGLXSA-N 0 3 240.391 2.410 10 0 BEAEHN CC(C)C[C@H](C)N(C)[C@@H](CN)c1ccccn1 ZINC000088324920 188144291 /nfs/dbraw/zinc/14/42/91/188144291.db2.gz DRLNGEHRTXRBAF-JSGCOSHPSA-N 0 3 235.375 2.448 10 0 BEAEHN COc1ccc(CN(C)CCC(C)=O)cc1 ZINC000047979674 188152913 /nfs/dbraw/zinc/15/29/13/188152913.db2.gz JOGKQNADDSTGIS-UHFFFAOYSA-N 0 3 221.300 2.106 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1csc(C)c1 ZINC000638995241 353236371 /nfs/dbraw/zinc/23/63/71/353236371.db2.gz YWUFIEZDEUJONU-OIBJUYFYSA-N 0 3 226.345 2.368 10 0 BEAEHN CC1(C)C[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000309101447 188166282 /nfs/dbraw/zinc/16/62/82/188166282.db2.gz FYDCFJDUBXQLGD-MWLCHTKSSA-N 0 3 205.305 2.175 10 0 BEAEHN CC(C)N1CCC(=Cc2c[nH]cn2)CC1 ZINC000013612851 188166640 /nfs/dbraw/zinc/16/66/40/188166640.db2.gz XKODEEQXNYDOBE-UHFFFAOYSA-N 0 3 205.305 2.297 10 0 BEAEHN CC(C)N(C)c1ccc(CN[C@@H]2C[C@H]2C)cn1 ZINC000190952194 188172899 /nfs/dbraw/zinc/17/28/99/188172899.db2.gz WUHSXTHIJSBBNV-DGCLKSJQSA-N 0 3 233.359 2.424 10 0 BEAEHN CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H]1C1CCCC1 ZINC000082327528 188173340 /nfs/dbraw/zinc/17/33/40/188173340.db2.gz YNUBABJYGCGTQO-MNOVXSKESA-N 0 3 240.347 2.123 10 0 BEAEHN Cc1ccc(F)cc1CN1C[C@@H](C)C[C@H](O)C1 ZINC000401953190 353260408 /nfs/dbraw/zinc/26/04/08/353260408.db2.gz MNUDZLFGNGKVEY-HZMBPMFUSA-N 0 3 237.318 2.337 10 0 BEAEHN OC1CC(CNCc2sccc2Cl)C1 ZINC000308465805 353334033 /nfs/dbraw/zinc/33/40/33/353334033.db2.gz GYKQBFINARNNTQ-UHFFFAOYSA-N 0 3 231.748 2.262 10 0 BEAEHN CC1(C)CCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000131156454 353364097 /nfs/dbraw/zinc/36/40/97/353364097.db2.gz FKUAFALDSIRLHH-UHFFFAOYSA-N 0 3 244.338 2.304 10 0 BEAEHN Fc1ccccc1C[C@@H]1CSCCN1 ZINC000071518269 181012571 /nfs/dbraw/zinc/01/25/71/181012571.db2.gz BHMVPZBCJYKVFA-SNVBAGLBSA-N 0 3 211.305 2.073 10 0 BEAEHN COc1ccc([C@H](C)CNCCF)cc1 ZINC000280589285 188562879 /nfs/dbraw/zinc/56/28/79/188562879.db2.gz AZQXJTDGQUSISZ-SNVBAGLBSA-N 0 3 211.280 2.358 10 0 BEAEHN N=C(N)c1c(F)cccc1OCC(F)(F)F ZINC000036307581 181192967 /nfs/dbraw/zinc/19/29/67/181192967.db2.gz XHSGUWSXHZITGL-UHFFFAOYSA-N 0 3 236.168 2.051 10 0 BEAEHN N=C(N)c1ccc2cccc(Cl)c2n1 ZINC000062620650 181195435 /nfs/dbraw/zinc/19/54/35/181195435.db2.gz KIUMZCOVDXHSHE-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN N=C(N)c1cccnc1OCc1ccccc1F ZINC000062714634 181196081 /nfs/dbraw/zinc/19/60/81/181196081.db2.gz NRWFBWAJUQDNEW-UHFFFAOYSA-N 0 3 245.257 2.084 10 0 BEAEHN N=C(N)c1ncccc1COc1ccccc1F ZINC000061658489 181197347 /nfs/dbraw/zinc/19/73/47/181197347.db2.gz CSBVHOZAIOUKFZ-UHFFFAOYSA-N 0 3 245.257 2.084 10 0 BEAEHN N=C(N)c1nccc2cccc(Cl)c21 ZINC000082768633 181197691 /nfs/dbraw/zinc/19/76/91/181197691.db2.gz SGDFRFMMXRXXOW-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN C[C@H]1Oc2cc(F)c(Cl)cc2[C@@H]1N ZINC000134375354 355593513 /nfs/dbraw/zinc/59/35/13/355593513.db2.gz FGGCTPMOWSXBBT-ALFREKQPSA-N 0 3 201.628 2.260 10 0 BEAEHN CC(C)(C)Nc1cc(CN)c(Cl)cn1 ZINC000166579552 355696884 /nfs/dbraw/zinc/69/68/84/355696884.db2.gz OYUVEAUWSAAUEF-UHFFFAOYSA-N 0 3 213.712 2.404 10 0 BEAEHN Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCOC1 ZINC000381621253 355728148 /nfs/dbraw/zinc/72/81/48/355728148.db2.gz ZSLRGICEVMNHOV-SUZMYJTESA-N 0 3 221.275 2.060 10 0 BEAEHN Cc1cc(C#N)ccc1CN1C[C@H](O)CC[C@@H]1C ZINC000399297790 355921673 /nfs/dbraw/zinc/92/16/73/355921673.db2.gz NZWAIOXLPBEFAY-SWLSCSKDSA-N 0 3 244.338 2.212 10 0 BEAEHN CCN1CC[C@H](Nc2cc(C(C)C)ncn2)C1 ZINC000389326181 355966607 /nfs/dbraw/zinc/96/66/07/355966607.db2.gz HBCSHSJLXAAKNE-NSHDSACASA-N 0 3 234.347 2.106 10 0 BEAEHN CCC(F)(F)CN1C[C@@H]2CCCN2C[C@H]1C ZINC000639489703 356306601 /nfs/dbraw/zinc/30/66/01/356306601.db2.gz SOUVJMAZHMDJNU-MNOVXSKESA-N 0 3 232.318 2.200 10 0 BEAEHN CCC(F)(F)CN1CCN2CCCC[C@@H]2C1 ZINC000639532999 356383879 /nfs/dbraw/zinc/38/38/79/356383879.db2.gz MWJUQAVHPSMRNA-LLVKDONJSA-N 0 3 232.318 2.202 10 0 BEAEHN NC(=O)[C@H](NC1CCCCC1)c1cccs1 ZINC000041672074 181278111 /nfs/dbraw/zinc/27/81/11/181278111.db2.gz KUPUQSIHFPTQGL-LLVKDONJSA-N 0 3 238.356 2.197 10 0 BEAEHN CCCc1cn2c(n1)[C@@H](CC)NCCC2 ZINC000675068146 538495959 /nfs/dbraw/zinc/49/59/59/538495959.db2.gz MZRVLEHOZOEZRG-LLVKDONJSA-N 0 3 207.321 2.280 10 0 BEAEHN Cc1cn2c(n1)[C@@H](CC(C)C)NCCC2 ZINC000675068376 538496478 /nfs/dbraw/zinc/49/64/78/538496478.db2.gz PRNLISKVSDINQX-LLVKDONJSA-N 0 3 207.321 2.272 10 0 BEAEHN COc1nc2c(C)ccc(C)c2cc1CN ZINC000675069976 538499436 /nfs/dbraw/zinc/49/94/36/538499436.db2.gz NOWRPSMJDXQTLJ-UHFFFAOYSA-N 0 3 216.284 2.319 10 0 BEAEHN COc1nc2c(C)cc(C)cc2cc1CN ZINC000675070213 538500940 /nfs/dbraw/zinc/50/09/40/538500940.db2.gz RPMCMMJTLWFOPC-UHFFFAOYSA-N 0 3 216.284 2.319 10 0 BEAEHN CCOc1ccc2nc(OC)c(CN)cc2c1 ZINC000675070415 538502036 /nfs/dbraw/zinc/50/20/36/538502036.db2.gz XUAAAITZSILZIS-UHFFFAOYSA-N 0 3 232.283 2.101 10 0 BEAEHN CC[C@H](C)N=[S@@](=O)(NC)c1ccc(N)cc1 ZINC000675073719 538505616 /nfs/dbraw/zinc/50/56/16/538505616.db2.gz AKDBKTAWCDUCCY-FVMDXXJSSA-N 0 3 241.360 2.029 10 0 BEAEHN CCn1ncc2c1[C@H]1CCCC[C@H]1NC2 ZINC000675081789 538522209 /nfs/dbraw/zinc/52/22/09/538522209.db2.gz LLQSTTIFLIUZLA-WDEREUQCSA-N 0 3 205.305 2.032 10 0 BEAEHN Cn1cnc2c1[C@H](C1CCCCC1)NCC2 ZINC000084011971 538526031 /nfs/dbraw/zinc/52/60/31/538526031.db2.gz NVFLSSVVILPUBE-LBPRGKRZSA-N 0 3 219.332 2.187 10 0 BEAEHN Cn1cnc2c1[C@@H](CC(C)(C)C)NCC2 ZINC000084258792 538528454 /nfs/dbraw/zinc/52/84/54/538528454.db2.gz BCWVYPCZHVHOKK-SNVBAGLBSA-N 0 3 207.321 2.043 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2ccncc2Cl)C1 ZINC000623374091 356886424 /nfs/dbraw/zinc/88/64/24/356886424.db2.gz VTLOCKWHJPCFRZ-MNOVXSKESA-N 0 3 240.734 2.128 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2ccncc2Cl)C1 ZINC000623374092 356886445 /nfs/dbraw/zinc/88/64/45/356886445.db2.gz VTLOCKWHJPCFRZ-QWRGUYRKSA-N 0 3 240.734 2.128 10 0 BEAEHN O[C@@H](CN1CCCCC1)c1cccs1 ZINC000001692994 357157022 /nfs/dbraw/zinc/15/70/22/357157022.db2.gz BUPGKHPQQGMZQY-JTQLQIEISA-N 0 3 211.330 2.267 10 0 BEAEHN Cc1cc(C)c(CNC[C@@H](O)C(C)(C)C)cn1 ZINC000397009310 357489178 /nfs/dbraw/zinc/48/91/78/357489178.db2.gz DHXFBXTWTBHDQS-CYBMUJFWSA-N 0 3 236.359 2.195 10 0 BEAEHN C[C@@H]1C(=O)NCCCN1CCCC1CCCC1 ZINC000189296401 357625829 /nfs/dbraw/zinc/62/58/29/357625829.db2.gz UOAZHGRXCMHGPS-GFCCVEGCSA-N 0 3 238.375 2.167 10 0 BEAEHN c1nc2n(n1)CCC[C@@H]2N[C@H]1CCC12CCCC2 ZINC000189147577 357606373 /nfs/dbraw/zinc/60/63/73/357606373.db2.gz NCKSIESBZUQBSN-RYUDHWBXSA-N 0 3 246.358 2.425 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1ccc(OC)nc1 ZINC000232156050 357652820 /nfs/dbraw/zinc/65/28/20/357652820.db2.gz QCUCRJCDXRSCMU-NEPJUHHUSA-N 0 3 220.316 2.368 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1ccc(OC)nc1 ZINC000232156054 357652973 /nfs/dbraw/zinc/65/29/73/357652973.db2.gz QCUCRJCDXRSCMU-VXGBXAGGSA-N 0 3 220.316 2.368 10 0 BEAEHN COc1ccccc1CNC[C@@H]1CCCC[C@@H]1O ZINC000085967375 357706955 /nfs/dbraw/zinc/70/69/55/357706955.db2.gz BPELZWRVJTWJPG-JSGCOSHPSA-N 0 3 249.354 2.336 10 0 BEAEHN Cc1ccccc1[C@H](C)N1CCCN(C)C(=O)C1 ZINC000191104346 357750826 /nfs/dbraw/zinc/75/08/26/357750826.db2.gz JKONWBIXHACHJY-ZDUSSCGKSA-N 0 3 246.354 2.220 10 0 BEAEHN CO[C@@H](CN1CC[C@@H](O)C[C@H]1C)c1ccccc1 ZINC000639938675 357944089 /nfs/dbraw/zinc/94/40/89/357944089.db2.gz IEEBWXAZBQFYGO-YUELXQCFSA-N 0 3 249.354 2.219 10 0 BEAEHN C[C@@H](CN(C)C)Nc1cc(Cl)nnc1Cl ZINC000169018053 358009413 /nfs/dbraw/zinc/00/94/13/358009413.db2.gz RNPOUCNHROYGCR-LURJTMIESA-N 0 3 249.145 2.145 10 0 BEAEHN NC[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000038436484 358152487 /nfs/dbraw/zinc/15/24/87/358152487.db2.gz KACYEBSXIWUJQN-CQSZACIVSA-N 0 3 240.306 2.116 10 0 BEAEHN C[C@@H](C1CCC1)N(Cc1ccccc1)C(=O)CN ZINC000584590851 358249112 /nfs/dbraw/zinc/24/91/12/358249112.db2.gz BPJYLYGQJSOGLV-LBPRGKRZSA-N 0 3 246.354 2.163 10 0 BEAEHN c1ccc(COc2ccc3c(n2)CCNC3)cc1 ZINC000584615989 358280979 /nfs/dbraw/zinc/28/09/79/358280979.db2.gz LPEQYLAOGXANKT-UHFFFAOYSA-N 0 3 240.306 2.306 10 0 BEAEHN Cc1ncc([C@H](C)NC[C@@H]2CCC[C@@H]2O)s1 ZINC000090418280 491126630 /nfs/dbraw/zinc/12/66/30/491126630.db2.gz MBAJRFWPUGHICO-LSJOCFKGSA-N 0 3 240.372 2.263 10 0 BEAEHN C[C@H](NCc1ccc[nH]1)[C@H](O)c1ccccc1 ZINC000584596090 358254082 /nfs/dbraw/zinc/25/40/82/358254082.db2.gz MXSFBJQVSIKKTL-FZMZJTMJSA-N 0 3 230.311 2.226 10 0 BEAEHN C[C@H]1Cc2ccccc2[C@H]2CC(=O)CCN21 ZINC000584626622 358295910 /nfs/dbraw/zinc/29/59/10/358295910.db2.gz SPGYMSKFFKWKBC-IINYFYTJSA-N 0 3 215.296 2.337 10 0 BEAEHN CN1CC=C(c2nc3c(nccc3Cl)[nH]2)CC1 ZINC000584632535 358315644 /nfs/dbraw/zinc/31/56/44/358315644.db2.gz JGSSOVQULHMQAL-UHFFFAOYSA-N 0 3 248.717 2.330 10 0 BEAEHN OCCCCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000173400552 134274196 /nfs/dbraw/zinc/27/41/96/134274196.db2.gz UQFIWJCFNMIMTQ-CYBMUJFWSA-N 0 3 237.347 2.099 10 0 BEAEHN Cc1cnc(CN2CCC(c3ccn[nH]3)CC2)o1 ZINC000173605841 134276147 /nfs/dbraw/zinc/27/61/47/134276147.db2.gz BUCGQMXQOCBGTK-UHFFFAOYSA-N 0 3 246.314 2.086 10 0 BEAEHN COc1cc([C@@H](C)NCC[C@H](C)O)ccc1F ZINC000212793555 358622628 /nfs/dbraw/zinc/62/26/28/358622628.db2.gz JBWPAYCQTSDOLQ-VHSXEESVSA-N 0 3 241.306 2.256 10 0 BEAEHN COc1cc([C@@H](C)NCC[C@@H](C)O)ccc1F ZINC000212793624 358622644 /nfs/dbraw/zinc/62/26/44/358622644.db2.gz JBWPAYCQTSDOLQ-NXEZZACHSA-N 0 3 241.306 2.256 10 0 BEAEHN COC(=O)c1coc(CNC[C@H](C)C(C)C)c1 ZINC000130787891 358644175 /nfs/dbraw/zinc/64/41/75/358644175.db2.gz YFAHBDIZLVCNSX-JTQLQIEISA-N 0 3 239.315 2.448 10 0 BEAEHN C1CC[C@H](c2[nH]nc3c2CSCC3)NC1 ZINC000211425798 358648766 /nfs/dbraw/zinc/64/87/66/358648766.db2.gz LQEVNRHWCQZBIC-SNVBAGLBSA-N 0 3 223.345 2.014 10 0 BEAEHN C[C@H](CN(CC(N)=O)C(C)(C)C)c1ccccc1 ZINC000131337184 358672215 /nfs/dbraw/zinc/67/22/15/358672215.db2.gz JNGBHAZEWZRGRU-GFCCVEGCSA-N 0 3 248.370 2.376 10 0 BEAEHN CC[C@@H](C)CN[C@H](C)c1nnc2n1CCCC2 ZINC000133573486 358759287 /nfs/dbraw/zinc/75/92/87/358759287.db2.gz CDBFUOAUPHOMHO-GHMZBOCLSA-N 0 3 236.363 2.311 10 0 BEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C ZINC000175835875 134289451 /nfs/dbraw/zinc/28/94/51/134289451.db2.gz XAUPVQSSBDJAAR-CHWSQXEVSA-N 0 3 238.375 2.260 10 0 BEAEHN CC[C@H](N[C@H]1CCCNC1=O)c1cccs1 ZINC000050394688 358726727 /nfs/dbraw/zinc/72/67/27/358726727.db2.gz RESAWFSTGDUSGT-UWVGGRQHSA-N 0 3 238.356 2.067 10 0 BEAEHN CN(CC(=O)NC(C)(C)C)C(C1CC1)C1CC1 ZINC000050989439 358740182 /nfs/dbraw/zinc/74/01/82/358740182.db2.gz IOABDTWEZLCHRX-UHFFFAOYSA-N 0 3 238.375 2.022 10 0 BEAEHN COc1ccc(C)cc1CN[C@H]1CCO[C@@H]1C ZINC000134242604 358783616 /nfs/dbraw/zinc/78/36/16/358783616.db2.gz VFJULZNEUVWAFL-YPMHNXCESA-N 0 3 235.327 2.271 10 0 BEAEHN CC[C@@H]1CCCCCN1C(=O)[C@@H](N)C(C)C ZINC000134359635 358787918 /nfs/dbraw/zinc/78/79/18/358787918.db2.gz QUHKWVAHLFYUFK-NEPJUHHUSA-N 0 3 226.364 2.151 10 0 BEAEHN Cc1ccc(CN2CCC[C@H]2CCCO)o1 ZINC000052762002 358792547 /nfs/dbraw/zinc/79/25/47/358792547.db2.gz KANPKEYORWTELS-LBPRGKRZSA-N 0 3 223.316 2.325 10 0 BEAEHN CCN1CCC[C@@H](Nc2ncccc2F)C1 ZINC000054700712 358872318 /nfs/dbraw/zinc/87/23/18/358872318.db2.gz SJKRBWDRUYXXNN-SNVBAGLBSA-N 0 3 223.295 2.117 10 0 BEAEHN CCN(CCCO)Cc1ccc2ccccc2n1 ZINC000135423801 358837595 /nfs/dbraw/zinc/83/75/95/358837595.db2.gz RQWRCYSBZOOQHK-UHFFFAOYSA-N 0 3 244.338 2.439 10 0 BEAEHN CN1c2ccccc2[C@]2(C)CCN[C@]12C ZINC000053993793 358960385 /nfs/dbraw/zinc/96/03/85/358960385.db2.gz CGGSLHUYWLWRBD-QWHCGFSZSA-N 0 3 202.301 2.104 10 0 BEAEHN Cc1cc([C@@H](N)[C@H]2CCCS2)sn1 ZINC000306158835 358952112 /nfs/dbraw/zinc/95/21/12/358952112.db2.gz DNJCZBOLGBENPU-APPZFPTMSA-N 0 3 214.359 2.347 10 0 BEAEHN C[C@H]1CSC(N[C@@H]2CCC(F)(F)C2)=N1 ZINC000306172336 358981881 /nfs/dbraw/zinc/98/18/81/358981881.db2.gz LFFGDIONWPEWJI-NKWVEPMBSA-N 0 3 220.288 2.255 10 0 BEAEHN N[C@H](c1ccsn1)[C@H]1CCCCS1 ZINC000306184752 359002360 /nfs/dbraw/zinc/00/23/60/359002360.db2.gz FBOIDNVUBFRSKC-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC=CCC1 ZINC000247100132 359193568 /nfs/dbraw/zinc/19/35/68/359193568.db2.gz IJJORKOBCCMAJH-MGPQQGTHSA-N 0 3 248.370 2.038 10 0 BEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC=CCC1 ZINC000247100150 359193943 /nfs/dbraw/zinc/19/39/43/359193943.db2.gz IJJORKOBCCMAJH-RDBSUJKOSA-N 0 3 248.370 2.038 10 0 BEAEHN CCOCCN1CCN(CCC(C)C)C[C@H]1C ZINC000247102823 359194187 /nfs/dbraw/zinc/19/41/87/359194187.db2.gz IJLWJJHXOVNSHA-CQSZACIVSA-N 0 3 242.407 2.075 10 0 BEAEHN CCCCN1CCN(CCOCC)[C@@H](CC)C1 ZINC000247245908 359203224 /nfs/dbraw/zinc/20/32/24/359203224.db2.gz STHUTFYTJQZVNJ-AWEZNQCLSA-N 0 3 242.407 2.219 10 0 BEAEHN Brc1ccoc1C1=CCCNC1 ZINC000306210031 359302512 /nfs/dbraw/zinc/30/25/12/359302512.db2.gz BWEWHKGBJJQZDG-UHFFFAOYSA-N 0 3 228.089 2.419 10 0 BEAEHN Cc1ccc(Cl)c([C@@H](N)CN(C)C)c1 ZINC000306214682 359315195 /nfs/dbraw/zinc/31/51/95/359315195.db2.gz NMMZMBNJDOWTMC-NSHDSACASA-N 0 3 212.724 2.210 10 0 BEAEHN C1=C[C@@H](N2CCN3CCCC[C@H]3C2)CCC1 ZINC000248368769 359271558 /nfs/dbraw/zinc/27/15/58/359271558.db2.gz VOBUJXFOKVJJEZ-KGLIPLIRSA-N 0 3 220.360 2.265 10 0 BEAEHN C[C@@](F)(CN)c1cc(F)c(F)cc1F ZINC000306240905 359420018 /nfs/dbraw/zinc/42/00/18/359420018.db2.gz LRFPAKVXBZNXIM-SECBINFHSA-N 0 3 207.170 2.247 10 0 BEAEHN COC[C@@](C)(N)c1cc(C)ccc1Cl ZINC000306236343 359395227 /nfs/dbraw/zinc/39/52/27/359395227.db2.gz KUOLLHCJHWCOPH-LLVKDONJSA-N 0 3 213.708 2.469 10 0 BEAEHN C[C@@H]1C[C@@H](C)N[C@@H](C(=O)NCc2ccccc2)C1 ZINC000306278160 359510307 /nfs/dbraw/zinc/51/03/07/359510307.db2.gz VZSUZZDPIAQGDJ-YRGRVCCFSA-N 0 3 246.354 2.079 10 0 BEAEHN N[C@H](c1ccsn1)[C@H]1CCCS1 ZINC000306338419 359639390 /nfs/dbraw/zinc/63/93/90/359639390.db2.gz VVFWPSQHXJRUSY-HTQZYQBOSA-N 0 3 200.332 2.039 10 0 BEAEHN C[C@H]1CSC[C@]12NC[C@@H](C)CS2 ZINC000306349155 359669248 /nfs/dbraw/zinc/66/92/48/359669248.db2.gz JFALHFAUEYJNTO-HRDYMLBCSA-N 0 3 203.376 2.038 10 0 BEAEHN COc1ccc(C)cc1CNC[C@@H]1CCC[C@@H]1O ZINC000089163088 359996080 /nfs/dbraw/zinc/99/60/80/359996080.db2.gz WAJMJWOSXKUWSN-JSGCOSHPSA-N 0 3 249.354 2.254 10 0 BEAEHN Cc1c(CN[C@H](C)CC(F)(F)F)cnn1C ZINC000090887892 360093944 /nfs/dbraw/zinc/09/39/44/360093944.db2.gz UVEYFDYQUFRALJ-SSDOTTSWSA-N 0 3 235.253 2.159 10 0 BEAEHN CC(C)n1cncc1CN[C@H](C)[C@@H]1CCCO1 ZINC000090207726 360064711 /nfs/dbraw/zinc/06/47/11/360064711.db2.gz DIGGXQZONJBPNI-YPMHNXCESA-N 0 3 237.347 2.121 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)C1CCC1 ZINC000090227140 360066957 /nfs/dbraw/zinc/06/69/57/360066957.db2.gz KOJUOGQFIDNDLE-SKDRFNHKSA-N 0 3 234.347 2.200 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C(C)C ZINC000090227530 360067378 /nfs/dbraw/zinc/06/73/78/360067378.db2.gz UQEDXUHMBMSQKG-ONGXEEELSA-N 0 3 222.336 2.056 10 0 BEAEHN C[C@@H]1CN(C)C[C@@H]1Nc1ncc(Cl)s1 ZINC000306466083 360080045 /nfs/dbraw/zinc/08/00/45/360080045.db2.gz KHFPBAMUVZSYIL-RQJHMYQMSA-N 0 3 231.752 2.159 10 0 BEAEHN CC[C@H](C)CN[C@H]1CCCn2nc(C)nc21 ZINC000093080285 360214920 /nfs/dbraw/zinc/21/49/20/360214920.db2.gz FCNJNVZBNKFBFO-ONGXEEELSA-N 0 3 222.336 2.057 10 0 BEAEHN CC[C@@H](C)CN[C@H]1CCCn2nc(C)nc21 ZINC000093080283 360215139 /nfs/dbraw/zinc/21/51/39/360215139.db2.gz FCNJNVZBNKFBFO-KOLCDFICSA-N 0 3 222.336 2.057 10 0 BEAEHN COc1ncc([C@@H](N)C2CCCC2)s1 ZINC000306499895 360261144 /nfs/dbraw/zinc/26/11/44/360261144.db2.gz LEUZFTIJUVHXRX-VIFPVBQESA-N 0 3 212.318 2.342 10 0 BEAEHN COc1ncc([C@H](N)C2CCCC2)s1 ZINC000306499894 360261354 /nfs/dbraw/zinc/26/13/54/360261354.db2.gz LEUZFTIJUVHXRX-SECBINFHSA-N 0 3 212.318 2.342 10 0 BEAEHN C[C@]1(F)CCN([C@H]2CCCSC2)C1 ZINC000306517435 360344292 /nfs/dbraw/zinc/34/42/92/360344292.db2.gz BBEGOAHSDRRLSR-UWVGGRQHSA-N 0 3 203.326 2.316 10 0 BEAEHN C[C@@]1(F)CCN([C@H]2CCCSC2)C1 ZINC000306517439 360344579 /nfs/dbraw/zinc/34/45/79/360344579.db2.gz BBEGOAHSDRRLSR-VHSXEESVSA-N 0 3 203.326 2.316 10 0 BEAEHN C[C@H](N)c1cncn1[C@@H](C)C(F)(F)F ZINC000306523719 360360936 /nfs/dbraw/zinc/36/09/36/360360936.db2.gz UQRZUFYPDJBXJW-WDSKDSINSA-N 0 3 207.199 2.026 10 0 BEAEHN O=C1CCC[C@@H]1N1CCC2(CCC2)CC1 ZINC000306547304 360416304 /nfs/dbraw/zinc/41/63/04/360416304.db2.gz XEUJPXJYJGMGGX-NSHDSACASA-N 0 3 207.317 2.374 10 0 BEAEHN O=C1CCC[C@H]1N1CCC2(CCC2)CC1 ZINC000306547299 360416542 /nfs/dbraw/zinc/41/65/42/360416542.db2.gz XEUJPXJYJGMGGX-LLVKDONJSA-N 0 3 207.317 2.374 10 0 BEAEHN CSc1nc(C)c(CN)cc1Cl ZINC000306547026 360417475 /nfs/dbraw/zinc/41/74/75/360417475.db2.gz FHSXPVAVYCUMRI-UHFFFAOYSA-N 0 3 202.710 2.224 10 0 BEAEHN C[C@@H]1CN=C(Nc2ccsc2Cl)N1 ZINC000306593319 360513621 /nfs/dbraw/zinc/51/36/21/360513621.db2.gz ABMAMXYXFKOZMY-RXMQYKEDSA-N 0 3 215.709 2.161 10 0 BEAEHN Cc1ccc(CN2CCC[C@@H]2CCCO)cn1 ZINC000153819163 360779590 /nfs/dbraw/zinc/77/95/90/360779590.db2.gz QMNQMCPMKFRRJT-CQSZACIVSA-N 0 3 234.343 2.127 10 0 BEAEHN COc1cc(Cl)cc2c1OCC[C@H]2N ZINC000238334391 360884359 /nfs/dbraw/zinc/88/43/59/360884359.db2.gz HYPCZPWEOVDYDI-MRVPVSSYSA-N 0 3 213.664 2.131 10 0 BEAEHN NCc1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238674663 361176283 /nfs/dbraw/zinc/17/62/83/361176283.db2.gz OFDHUNALOZEUSF-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000579007300 366694187 /nfs/dbraw/zinc/69/41/87/366694187.db2.gz ZESHMTXQZRBTGT-MNOVXSKESA-N 0 3 207.321 2.305 10 0 BEAEHN NC1(C(=O)Nc2cc(F)ccc2F)CCCC1 ZINC000037615987 181329593 /nfs/dbraw/zinc/32/95/93/181329593.db2.gz IGEDQDBSGZBCIH-UHFFFAOYSA-N 0 3 240.253 2.175 10 0 BEAEHN NC1(C(=O)N[C@H]2CCc3ccccc32)CCCC1 ZINC000037616208 181329810 /nfs/dbraw/zinc/32/98/10/181329810.db2.gz GVCLRZWRYFMHOO-ZDUSSCGKSA-N 0 3 244.338 2.062 10 0 BEAEHN NC1(c2cc(Br)cs2)CC1 ZINC000070599499 181333575 /nfs/dbraw/zinc/33/35/75/181333575.db2.gz ROLHRAORMNMMNS-UHFFFAOYSA-N 0 3 218.119 2.458 10 0 BEAEHN NC1(c2ccc(F)c(F)c2F)CCC1 ZINC000075934040 181333506 /nfs/dbraw/zinc/33/35/06/181333506.db2.gz FKSYKFXRIQQJGW-UHFFFAOYSA-N 0 3 201.191 2.442 10 0 BEAEHN CCC[C@@H](N)C(=O)Nc1cccc2cccnc21 ZINC000036872665 361573480 /nfs/dbraw/zinc/57/34/80/361573480.db2.gz GOQOMEXALKGMDM-LLVKDONJSA-N 0 3 243.310 2.301 10 0 BEAEHN CN(C)C(=N)c1ccc(Br)s1 ZINC000070598090 361581792 /nfs/dbraw/zinc/58/17/92/361581792.db2.gz VHYGRFPTRABIJE-UHFFFAOYSA-N 0 3 233.134 2.398 10 0 BEAEHN CCNC(=N)c1cc(Br)cs1 ZINC000070599552 361582593 /nfs/dbraw/zinc/58/25/93/361582593.db2.gz AOSUXYUUHJBBNP-UHFFFAOYSA-N 0 3 233.134 2.445 10 0 BEAEHN CN(C)C(=N)c1cc(Br)cs1 ZINC000070599559 361582928 /nfs/dbraw/zinc/58/29/28/361582928.db2.gz ZUNLODPNNQIVAY-UHFFFAOYSA-N 0 3 233.134 2.398 10 0 BEAEHN COCCc1ccc(-c2ncc(CN)s2)cc1 ZINC000629700224 361630708 /nfs/dbraw/zinc/63/07/08/361630708.db2.gz HXXZTRDVSPPQQF-UHFFFAOYSA-N 0 3 248.351 2.458 10 0 BEAEHN CCOC[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000153452638 201237952 /nfs/dbraw/zinc/23/79/52/201237952.db2.gz RCRQDCCOYUWIAA-SECBINFHSA-N 0 3 227.279 2.046 10 0 BEAEHN C(SC1CCCCC1)[C@H]1CNCCO1 ZINC000070649840 361695742 /nfs/dbraw/zinc/69/57/42/361695742.db2.gz ACQVLHFWTSVXRR-SNVBAGLBSA-N 0 3 215.362 2.041 10 0 BEAEHN C[C@H]([C@H]1NCCc2nc[nH]c21)C(C)(C)C ZINC000400372165 541308641 /nfs/dbraw/zinc/30/86/41/541308641.db2.gz BFCJCHLLSPZVLX-PSASIEDQSA-N 0 3 207.321 2.279 10 0 BEAEHN COc1cccc(F)c1[C@H](C)NC[C@@H](C)CO ZINC000135125822 541361909 /nfs/dbraw/zinc/36/19/09/541361909.db2.gz RRIPGLDGXXHUTN-ZJUUUORDSA-N 0 3 241.306 2.113 10 0 BEAEHN CCCCN(C)[C@H](CN)c1nc(C)c(C)s1 ZINC000077388913 168784818 /nfs/dbraw/zinc/78/48/18/168784818.db2.gz QQXPCAFEHVFFIH-LLVKDONJSA-N 0 3 241.404 2.492 10 0 BEAEHN CC1CCC(N(C)CC(=O)NC(C)(C)C)CC1 ZINC000061799083 368572187 /nfs/dbraw/zinc/57/21/87/368572187.db2.gz SPNIMZSDYLOCHG-UHFFFAOYSA-N 0 3 240.391 2.412 10 0 BEAEHN CCO[C@@H](C1=NC[C@H](C)N1)c1ccccc1 ZINC000002010284 368735419 /nfs/dbraw/zinc/73/54/19/368735419.db2.gz QQBOGZMGQOAYOZ-CMPLNLGQSA-N 0 3 218.300 2.154 10 0 BEAEHN Cc1nnc(CN[C@H](C)C(C)(C)C)n1C1CC1 ZINC000114475240 368942760 /nfs/dbraw/zinc/94/27/60/368942760.db2.gz CDLMAXRVCHHNCS-SECBINFHSA-N 0 3 236.363 2.446 10 0 BEAEHN CCCOc1cccc2c1OC(C)C2=O ZINC000105738336 369065122 /nfs/dbraw/zinc/06/51/22/369065122.db2.gz WXMNQZILZDEPNC-MRVPVSSYSA-N 0 3 206.241 2.439 10 0 BEAEHN CCN1CCCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616614097 369102918 /nfs/dbraw/zinc/10/29/18/369102918.db2.gz IGWQWZWFKPLRQV-CYBMUJFWSA-N 0 3 232.327 2.332 10 0 BEAEHN C[C@H](N)c1cnc(-c2nccs2)s1 ZINC000161602185 370568373 /nfs/dbraw/zinc/56/83/73/370568373.db2.gz CXIICBKPSUNCDI-YFKPBYRVSA-N 0 3 211.315 2.286 10 0 BEAEHN Cc1csc([C@H](C)N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000623871540 371135865 /nfs/dbraw/zinc/13/58/65/371135865.db2.gz HGPIQNRNQQCWJI-HBNTYKKESA-N 0 3 240.372 2.406 10 0 BEAEHN N[C@@H](COc1ccccc1)c1ccc[nH]1 ZINC000011848758 181550902 /nfs/dbraw/zinc/55/09/02/181550902.db2.gz YFHCNOQOUMLYIC-NSHDSACASA-N 0 3 202.257 2.094 10 0 BEAEHN CSCCCCNCc1nccs1 ZINC000124929721 371258152 /nfs/dbraw/zinc/25/81/52/371258152.db2.gz FFNFLIXRNACRRW-UHFFFAOYSA-N 0 3 216.375 2.376 10 0 BEAEHN CCCCN(CC)c1ncccc1CN ZINC000019277928 168804465 /nfs/dbraw/zinc/80/44/65/168804465.db2.gz MOZSDTDQVANAQH-UHFFFAOYSA-N 0 3 207.321 2.167 10 0 BEAEHN C[C@@H](NCCC(N)=O)c1ccc2ccccc2c1 ZINC000028919623 371676522 /nfs/dbraw/zinc/67/65/22/371676522.db2.gz LSVWIKKCRUCXKK-LLVKDONJSA-N 0 3 242.322 2.366 10 0 BEAEHN CC[C@@H]1CN=C(NC[C@@H]2CCCS2)S1 ZINC000230009672 371632456 /nfs/dbraw/zinc/63/24/56/371632456.db2.gz QHHAPCWDQSYKOY-BDAKNGLRSA-N 0 3 230.402 2.353 10 0 BEAEHN Fc1ccc2c(c1Br)CCNC2 ZINC000216460697 371755750 /nfs/dbraw/zinc/75/57/50/371755750.db2.gz WQFMOLAJRHPDHH-UHFFFAOYSA-N 0 3 230.080 2.234 10 0 BEAEHN Cc1sccc1[C@@H](N)C(C)(C)N(C)C ZINC000227795112 371939626 /nfs/dbraw/zinc/93/96/26/371939626.db2.gz NVKJAXJTORGZGL-SNVBAGLBSA-N 0 3 212.362 2.397 10 0 BEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000627727949 371918549 /nfs/dbraw/zinc/91/85/49/371918549.db2.gz WSFOLERYKYPYNH-RYUDHWBXSA-N 0 3 248.370 2.424 10 0 BEAEHN CO[C@@H](CN)c1sccc1Br ZINC000228023671 371978777 /nfs/dbraw/zinc/97/87/77/371978777.db2.gz WYPITCUGGGFPRC-LURJTMIESA-N 0 3 236.134 2.157 10 0 BEAEHN N[C@@H]1COc2c1c(Br)ccc2Cl ZINC000069717436 373646026 /nfs/dbraw/zinc/64/60/26/373646026.db2.gz UXQSPJXFLQMWPG-ZCFIWIBFSA-N 0 3 248.507 2.495 10 0 BEAEHN O=C(NCCC1=CCCCC1)[C@H]1CCCCN1 ZINC000035661292 182152433 /nfs/dbraw/zinc/15/24/33/182152433.db2.gz OOJHPSSXTDSCIL-CYBMUJFWSA-N 0 3 236.359 2.135 10 0 BEAEHN CCCCOc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000033465806 168917996 /nfs/dbraw/zinc/91/79/96/168917996.db2.gz MOHBJJLVJBOUJI-SNVBAGLBSA-N 0 3 236.315 2.151 10 0 BEAEHN OCC1(NCc2ccc(Cl)s2)CC1 ZINC000120347939 183037823 /nfs/dbraw/zinc/03/78/23/183037823.db2.gz GBUDQMWWKOTGFB-UHFFFAOYSA-N 0 3 217.721 2.016 10 0 BEAEHN OCCCOc1cccc(CN2CCCCC2)c1 ZINC000027524591 183061151 /nfs/dbraw/zinc/06/11/51/183061151.db2.gz JACPUZOKPSTMTK-UHFFFAOYSA-N 0 3 249.354 2.434 10 0 BEAEHN OCCN(Cc1ccc2ccccc2n1)C1CC1 ZINC000050103907 183069587 /nfs/dbraw/zinc/06/95/87/183069587.db2.gz TUBPXNFLUDUISQ-UHFFFAOYSA-N 0 3 242.322 2.192 10 0 BEAEHN CCCCn1ccnc1CNCC(C)C ZINC000022862094 169036428 /nfs/dbraw/zinc/03/64/28/169036428.db2.gz XHFAHLWDJWJDBF-UHFFFAOYSA-N 0 3 209.337 2.429 10 0 BEAEHN OCc1ccc(CN2CCCCC2)s1 ZINC000045206490 183163947 /nfs/dbraw/zinc/16/39/47/183163947.db2.gz FUUVWTFVVYUXQG-UHFFFAOYSA-N 0 3 211.330 2.226 10 0 BEAEHN CCCN(C(=O)[C@H]1CCC[C@@H](C)N1)C(C)C ZINC000037096444 169046222 /nfs/dbraw/zinc/04/62/22/169046222.db2.gz BQOWKQABNGKELA-VXGBXAGGSA-N 0 3 226.364 2.164 10 0 BEAEHN O[C@@H](C1=NCCN1)c1c(Cl)cccc1Cl ZINC000003649869 183172373 /nfs/dbraw/zinc/17/23/73/183172373.db2.gz ODBTYWLKQRMUBB-SECBINFHSA-N 0 3 245.109 2.029 10 0 BEAEHN O[C@@H](CCN1CCCC1)c1cccs1 ZINC000041149362 183174211 /nfs/dbraw/zinc/17/42/11/183174211.db2.gz IWPXIPAQJIXCDX-JTQLQIEISA-N 0 3 211.330 2.267 10 0 BEAEHN O[C@@H]1CCN[C@H](c2ccccc2Cl)C1 ZINC000041225874 183202649 /nfs/dbraw/zinc/20/26/49/183202649.db2.gz JPIKAVDNAZTEIW-KCJUWKMLSA-N 0 3 211.692 2.125 10 0 BEAEHN CCCN(C)C[C@@H]1CNc2ccccc2O1 ZINC000037098560 169077400 /nfs/dbraw/zinc/07/74/00/169077400.db2.gz WAQUWQNXMJRJFX-NSHDSACASA-N 0 3 220.316 2.201 10 0 BEAEHN O[C@H](CN1CCCCC1)c1cccs1 ZINC000006513135 183220254 /nfs/dbraw/zinc/22/02/54/183220254.db2.gz BUPGKHPQQGMZQY-SNVBAGLBSA-N 0 3 211.330 2.267 10 0 BEAEHN CCCN(C)c1nc(C)c([C@H](C)N)s1 ZINC000054894971 169089494 /nfs/dbraw/zinc/08/94/94/169089494.db2.gz GZDIDHBNMKEBPU-ZETCQYMHSA-N 0 3 213.350 2.317 10 0 BEAEHN CCCN(C1CC1)[C@@H]1COc2ccccc2[C@@H]1N ZINC000037097172 169091291 /nfs/dbraw/zinc/09/12/91/169091291.db2.gz MPEKAABXLNKUBC-HIFRSBDPSA-N 0 3 246.354 2.322 10 0 BEAEHN O[C@]12CCCC[C@@H]1CN(Cc1ccncc1)CC2 ZINC000019405213 183253539 /nfs/dbraw/zinc/25/35/39/183253539.db2.gz DFQPELNVIXKUCR-CABCVRRESA-N 0 3 246.354 2.209 10 0 BEAEHN CCCN(CCC)[C@@H](CN)c1ccco1 ZINC000019795927 169151203 /nfs/dbraw/zinc/15/12/03/169151203.db2.gz GXWBYYWMBFLSPJ-NSHDSACASA-N 0 3 210.321 2.401 10 0 BEAEHN Oc1ccc2c(c1)[C@H](CC1CCOCC1)NCC2 ZINC000083663691 183281548 /nfs/dbraw/zinc/28/15/48/183281548.db2.gz HIXHKYAERRDIIG-HNNXBMFYSA-N 0 3 247.338 2.396 10 0 BEAEHN CCCN(CC)Cc1nc2cc(N)ccc2[nH]1 ZINC000037273282 169131124 /nfs/dbraw/zinc/13/11/24/169131124.db2.gz PBOCBDYVLYZOOL-UHFFFAOYSA-N 0 3 232.331 2.377 10 0 BEAEHN CCCN(CC)Cc1nc2ccc(N)cc2[nH]1 ZINC000037273282 169131125 /nfs/dbraw/zinc/13/11/25/169131125.db2.gz PBOCBDYVLYZOOL-UHFFFAOYSA-N 0 3 232.331 2.377 10 0 BEAEHN [O-]c1ccc([C@H]2CC[NH2+]C2)cc1Br ZINC000096877766 183278405 /nfs/dbraw/zinc/27/84/05/183278405.db2.gz UOEKEQJODWOJLN-QMMMGPOBSA-N 0 3 242.116 2.232 10 0 BEAEHN CCCN(CCC)CC(=O)Nc1cccc(N)c1 ZINC000019775332 169148086 /nfs/dbraw/zinc/14/80/86/169148086.db2.gz WCAANVKYJJPFTN-UHFFFAOYSA-N 0 3 249.358 2.329 10 0 BEAEHN Oc1cccc(CN2CCC[C@H]3COC[C@H]32)c1 ZINC000375702258 183288988 /nfs/dbraw/zinc/28/89/88/183288988.db2.gz BGQAARZTMUUNOV-GXTWGEPZSA-N 0 3 233.311 2.003 10 0 BEAEHN CCCN1CCCN(c2cc(C)nc(C)n2)CC1 ZINC000301399095 169193311 /nfs/dbraw/zinc/19/33/11/169193311.db2.gz OUAVHQJRLUOEIC-UHFFFAOYSA-N 0 3 248.374 2.016 10 0 BEAEHN c1cc(N[C@@H]2CCN(C3CC3)C2)cc2c1OCC2 ZINC000061982358 183369760 /nfs/dbraw/zinc/36/97/60/183369760.db2.gz XXLJAIOPNQTTGN-CYBMUJFWSA-N 0 3 244.338 2.270 10 0 BEAEHN c1cc2nc([C@H]3CCCCN3)ccc2[nH]1 ZINC000089220994 183377344 /nfs/dbraw/zinc/37/73/44/183377344.db2.gz WSQYWGOYKYQFQI-SECBINFHSA-N 0 3 201.273 2.378 10 0 BEAEHN CCCN[C@@](C)(C(N)=O)c1cc(C)ccc1C ZINC000037513816 169284434 /nfs/dbraw/zinc/28/44/34/169284434.db2.gz QWGQPDUMYHSLCJ-CQSZACIVSA-N 0 3 234.343 2.004 10 0 BEAEHN CCCN[C@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037870248 169284682 /nfs/dbraw/zinc/28/46/82/169284682.db2.gz FEZGMXZKBYQIHZ-ZDUSSCGKSA-N 0 3 234.343 2.336 10 0 BEAEHN CCCN[C@H](C(N)=O)c1csc2ccccc21 ZINC000054464959 169284975 /nfs/dbraw/zinc/28/49/75/169284975.db2.gz LIBCXLOTCAGNML-LBPRGKRZSA-N 0 3 248.351 2.427 10 0 BEAEHN CCCNCc1ccc(N(CC)CCC)nn1 ZINC000051440443 169267288 /nfs/dbraw/zinc/26/72/88/169267288.db2.gz MWTNQICHBSWHGR-UHFFFAOYSA-N 0 3 236.363 2.213 10 0 BEAEHN CCCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000038123374 169278991 /nfs/dbraw/zinc/27/89/91/169278991.db2.gz KRRULQRQUJTSBL-NSHDSACASA-N 0 3 213.708 2.373 10 0 BEAEHN CCCN[C@@H]1CC[S@@](=O)c2ccccc21 ZINC000040973503 169282786 /nfs/dbraw/zinc/28/27/86/169282786.db2.gz FUJXAHPZLLBWPB-ABAIWWIYSA-N 0 3 223.341 2.239 10 0 BEAEHN CCCN[C@@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647807 169282945 /nfs/dbraw/zinc/28/29/45/169282945.db2.gz MGTBJKBCKFTRBV-CYBMUJFWSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCN[C@@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654453 169283198 /nfs/dbraw/zinc/28/31/98/169283198.db2.gz KMPNWKRHMZIPBH-SNVBAGLBSA-N 0 3 235.283 2.239 10 0 BEAEHN CCCN[C@@H]1CCN(c2cccc(C)c2)C1=O ZINC000049647911 169283363 /nfs/dbraw/zinc/28/33/63/169283363.db2.gz IMUFBROHWCOYOJ-CYBMUJFWSA-N 0 3 232.327 2.100 10 0 BEAEHN CCCN[C@@H]1COc2c1ccc(F)c2F ZINC000062611348 169283531 /nfs/dbraw/zinc/28/35/31/169283531.db2.gz VRULUSHPKYFCQQ-SECBINFHSA-N 0 3 213.227 2.398 10 0 BEAEHN CCCN[C@H]1CC[S@@](=O)c2ccccc21 ZINC000040973505 169292501 /nfs/dbraw/zinc/29/25/01/169292501.db2.gz FUJXAHPZLLBWPB-NHYWBVRUSA-N 0 3 223.341 2.239 10 0 BEAEHN CCC[C@@H](C)NCc1ccc(C(N)=O)cc1F ZINC000020040751 169370568 /nfs/dbraw/zinc/37/05/68/169370568.db2.gz VVWVPGVLJBQVAZ-SECBINFHSA-N 0 3 238.306 2.203 10 0 BEAEHN CCC[C@@H](N)C(=O)N[C@H](CC)c1cccs1 ZINC000049532183 169392121 /nfs/dbraw/zinc/39/21/21/169392121.db2.gz AUFSRRKNWSDUFK-NXEZZACHSA-N 0 3 240.372 2.443 10 0 BEAEHN CCC[C@@H](N)c1nc2cc(OC)ccc2[nH]1 ZINC000071743294 169393988 /nfs/dbraw/zinc/39/39/88/169393988.db2.gz VBCKZKRLYCATGQ-SECBINFHSA-N 0 3 219.288 2.371 10 0 BEAEHN CCC[C@@H](N)c1nc(-c2cccnc2)c[nH]1 ZINC000036873882 169394011 /nfs/dbraw/zinc/39/40/11/169394011.db2.gz GMEXBWWPWNPGGD-SNVBAGLBSA-N 0 3 216.288 2.272 10 0 BEAEHN CCC[C@@H](N)c1nnc(C2CCCC2)[nH]1 ZINC000041058793 169394018 /nfs/dbraw/zinc/39/40/18/169394018.db2.gz GBGBUOHRJCESHM-SECBINFHSA-N 0 3 208.309 2.262 10 0 BEAEHN CCC[C@@H](N)c1n[nH]c(C2CCCC2)n1 ZINC000041058793 169394019 /nfs/dbraw/zinc/39/40/19/169394019.db2.gz GBGBUOHRJCESHM-SECBINFHSA-N 0 3 208.309 2.262 10 0 BEAEHN CN(C)C[C@@]1(C)Cc2sccc2C1=O ZINC000001615691 383913285 /nfs/dbraw/zinc/91/32/85/383913285.db2.gz WBSYDCDKHPIOFZ-LLVKDONJSA-N 0 3 209.314 2.055 10 0 BEAEHN N[C@H](COC(F)(F)F)c1ccccc1 ZINC000068576567 383999746 /nfs/dbraw/zinc/99/97/46/383999746.db2.gz LRUXMHNYRNKJEM-MRVPVSSYSA-N 0 3 205.179 2.223 10 0 BEAEHN CCOc1ccccc1CNC[C@H]1CCC[C@H]1O ZINC000089165765 383937795 /nfs/dbraw/zinc/93/77/95/383937795.db2.gz LLPJCXMOXHCHLV-TZMCWYRMSA-N 0 3 249.354 2.336 10 0 BEAEHN Clc1ccc(CCNCc2cncnc2)cc1 ZINC000054767040 383957998 /nfs/dbraw/zinc/95/79/98/383957998.db2.gz KGGHZDQMVZDJNE-UHFFFAOYSA-N 0 3 247.729 2.462 10 0 BEAEHN CC(C)Cc1ccc([C@H](C)N[C@H](C)C(N)=O)cc1 ZINC000038386215 384089452 /nfs/dbraw/zinc/08/94/52/384089452.db2.gz UUZNJWGRKGDDDT-NWDGAFQWSA-N 0 3 248.370 2.410 10 0 BEAEHN CN[C@H]1COc2ccc(Br)cc21 ZINC000035657582 384090295 /nfs/dbraw/zinc/09/02/95/384090295.db2.gz JQMCYYQLUQYZKS-QMMMGPOBSA-N 0 3 228.089 2.102 10 0 BEAEHN Cc1ccc([C@H](C)NC[C@@H](O)COC(C)C)o1 ZINC000038097642 384070400 /nfs/dbraw/zinc/07/04/00/384070400.db2.gz BALNCZDQMVXALC-NWDGAFQWSA-N 0 3 241.331 2.025 10 0 BEAEHN Cc1ccc(CNc2nccn2C)s1 ZINC000050606668 384105348 /nfs/dbraw/zinc/10/53/48/384105348.db2.gz VCMBQGXXZNPQHM-UHFFFAOYSA-N 0 3 207.302 2.402 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NCC1CCOCC1 ZINC000070528490 384116173 /nfs/dbraw/zinc/11/61/73/384116173.db2.gz MRSCAPVFLQLHNH-CYBMUJFWSA-N 0 3 233.311 2.136 10 0 BEAEHN CC[C@@H](COC)N[C@H]1COc2ccccc21 ZINC000070624489 384124515 /nfs/dbraw/zinc/12/45/15/384124515.db2.gz XDMUTOJXWQWLJR-JQWIXIFHSA-N 0 3 221.300 2.135 10 0 BEAEHN C[C@@H](NC(=O)C(C)(C)N)c1ccccc1Cl ZINC000040925497 384169417 /nfs/dbraw/zinc/16/94/17/384169417.db2.gz NSCUEJNUBNOCPD-MRVPVSSYSA-N 0 3 240.734 2.255 10 0 BEAEHN CN(C[C@@H]1OCCc2ccccc21)CC(C)(C)O ZINC000118224173 384196200 /nfs/dbraw/zinc/19/62/00/384196200.db2.gz QFMLXROKIICHIT-AWEZNQCLSA-N 0 3 249.354 2.003 10 0 BEAEHN COC(=O)[C@H]1CN(Cc2ccccc2)CC1(C)C ZINC000004203353 384234198 /nfs/dbraw/zinc/23/41/98/384234198.db2.gz PETMLUYRRDBMHW-CYBMUJFWSA-N 0 3 247.338 2.318 10 0 BEAEHN c1n[nH]cc1[C@H]1CCCCN1CC1=CCCOC1 ZINC000093438405 384238867 /nfs/dbraw/zinc/23/88/67/384238867.db2.gz USKZYFNRGGEOAK-CQSZACIVSA-N 0 3 247.342 2.283 10 0 BEAEHN COc1ccc([C@@H](C)NC2CC2)cc1NC(C)=O ZINC000132756759 384248719 /nfs/dbraw/zinc/24/87/19/384248719.db2.gz VTKCANFFXNVOFB-SECBINFHSA-N 0 3 248.326 2.467 10 0 BEAEHN CC[C@](C)(O)CN1CCC(C(F)(F)F)CC1 ZINC000119425168 384270301 /nfs/dbraw/zinc/27/03/01/384270301.db2.gz LNEHKISGTNREII-JTQLQIEISA-N 0 3 239.281 2.422 10 0 BEAEHN N[C@H]1CCOc2c(F)cc(Cl)cc21 ZINC000075882236 384345351 /nfs/dbraw/zinc/34/53/51/384345351.db2.gz OIVYNUIVZGGTAZ-QMMMGPOBSA-N 0 3 201.628 2.261 10 0 BEAEHN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000075958442 384346570 /nfs/dbraw/zinc/34/65/70/384346570.db2.gz YBAZPPUSQPOERJ-MFKMUULPSA-N 0 3 247.342 2.278 10 0 BEAEHN Cc1ccsc1[C@@H](CCO)NC1CC1 ZINC000095089753 384360250 /nfs/dbraw/zinc/36/02/50/384360250.db2.gz QTGAMOXBZHYIMP-SNVBAGLBSA-N 0 3 211.330 2.232 10 0 BEAEHN FC(F)(F)[C@@H]1CNCCN1Cc1ccccc1 ZINC000095930328 384410380 /nfs/dbraw/zinc/41/03/80/384410380.db2.gz CTFBUVNLDHEKNL-NSHDSACASA-N 0 3 244.260 2.023 10 0 BEAEHN C[C@@H]1OCC[C@H]1N[C@@H]1CCOc2ccccc21 ZINC000135296532 384431332 /nfs/dbraw/zinc/43/13/32/384431332.db2.gz NYPGCBXIOMBYGQ-CYZMBNFOSA-N 0 3 233.311 2.277 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000135300568 384434498 /nfs/dbraw/zinc/43/44/98/384434498.db2.gz UBSCRJBEUIZFKU-UMNHJUIQSA-N 0 3 249.310 2.243 10 0 BEAEHN C[C@@H](N)c1csc(-c2cccnc2)n1 ZINC000011568394 384462127 /nfs/dbraw/zinc/46/21/27/384462127.db2.gz FUACUQFNXGWFTO-SSDOTTSWSA-N 0 3 205.286 2.225 10 0 BEAEHN CC(C)Oc1cc(F)ccc1N1CCNCC1 ZINC000079367758 384494026 /nfs/dbraw/zinc/49/40/26/384494026.db2.gz XYWRFSVJNMOULI-UHFFFAOYSA-N 0 3 238.306 2.023 10 0 BEAEHN CC(C)OCCCN1CCS[C@@H](C)C1 ZINC000170901305 384529908 /nfs/dbraw/zinc/52/99/08/384529908.db2.gz VBHFISIFWUBKFZ-NSHDSACASA-N 0 3 217.378 2.239 10 0 BEAEHN O=C(CCCN1CCC[C@H](O)C1)c1ccccc1 ZINC000049773419 384563517 /nfs/dbraw/zinc/56/35/17/384563517.db2.gz LTOFTYZTPKPFAV-AWEZNQCLSA-N 0 3 247.338 2.106 10 0 BEAEHN CC(=O)Nc1ccc2c(c1)[C@@H](N)CC(C)(C)O2 ZINC000011848993 384626211 /nfs/dbraw/zinc/62/62/11/384626211.db2.gz UVAJMYCFIMEHCP-NSHDSACASA-N 0 3 234.299 2.206 10 0 BEAEHN CCOC[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC000044691748 384661238 /nfs/dbraw/zinc/66/12/38/384661238.db2.gz JBKJXWQWVRFQRK-NSHDSACASA-N 0 3 239.363 2.153 10 0 BEAEHN CC[C@@H](C)NCc1cc(OC)cc(C)n1 ZINC000125952320 384724731 /nfs/dbraw/zinc/72/47/31/384724731.db2.gz FNTCSMSDRMFSNU-SECBINFHSA-N 0 3 208.305 2.287 10 0 BEAEHN C[C@@H]1Oc2c(cc(Br)cc2F)[C@H]1N ZINC000043634302 384718608 /nfs/dbraw/zinc/71/86/08/384718608.db2.gz CJFMUEWOSUPUCM-NVNXEXLPSA-N 0 3 246.079 2.369 10 0 BEAEHN C[C@H](CO)CN[C@@H](C)c1cc(F)ccc1F ZINC000083215458 384751817 /nfs/dbraw/zinc/75/18/17/384751817.db2.gz DDAKQAVSPSANPX-IUCAKERBSA-N 0 3 229.270 2.244 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cn(C)nc1C ZINC000126274972 384759363 /nfs/dbraw/zinc/75/93/63/384759363.db2.gz PVXFESUJZOGPDL-CMPLNLGQSA-N 0 3 207.321 2.007 10 0 BEAEHN CN[C@@H](C)c1nc2c(cccc2Cl)[nH]1 ZINC000054053035 384819592 /nfs/dbraw/zinc/81/95/92/384819592.db2.gz KUTYQIMAPPCDHQ-LURJTMIESA-N 0 3 209.680 2.497 10 0 BEAEHN CCC[C@@H]1CCC[C@H]1NCc1nccn1C ZINC000336738560 384840046 /nfs/dbraw/zinc/84/00/46/384840046.db2.gz OIZBZTITDNFVPZ-VXGBXAGGSA-N 0 3 221.348 2.479 10 0 BEAEHN COC(=O)c1coc(CNCC(C)(C)C)c1 ZINC000126915716 384841284 /nfs/dbraw/zinc/84/12/84/384841284.db2.gz DAKXTLGSXLSQAA-UHFFFAOYSA-N 0 3 225.288 2.202 10 0 BEAEHN C[C@H]1C[C@@H](O)CN(c2ccnc3ccccc32)C1 ZINC000335239217 384864371 /nfs/dbraw/zinc/86/43/71/384864371.db2.gz RYBDIEQFJFRUJT-NWDGAFQWSA-N 0 3 242.322 2.442 10 0 BEAEHN CN1CCC=C(c2ccc(Cl)nc2)C1 ZINC000027652127 384906061 /nfs/dbraw/zinc/90/60/61/384906061.db2.gz YWDRNTZRCJXPPD-UHFFFAOYSA-N 0 3 208.692 2.454 10 0 BEAEHN Cc1ccc([C@@H]2CN(C3CC3)CCN2)cc1 ZINC000056894836 384920443 /nfs/dbraw/zinc/92/04/43/384920443.db2.gz KXBKRVQAVHVPNE-AWEZNQCLSA-N 0 3 216.328 2.104 10 0 BEAEHN C[C@@H]1CCC[C@H](CN2CCCNC(=O)[C@H]2C)C1 ZINC000249010909 384975018 /nfs/dbraw/zinc/97/50/18/384975018.db2.gz IOYAWHKWIKYSTE-UPJWGTAASA-N 0 3 238.375 2.023 10 0 BEAEHN NC[C@@H](F)Cc1ccc(Br)s1 ZINC000156352919 385030583 /nfs/dbraw/zinc/03/05/83/385030583.db2.gz SWEDYRWCGKVYCN-YFKPBYRVSA-N 0 3 238.125 2.350 10 0 BEAEHN CN(CCNc1ncnc2ccccc21)C1CC1 ZINC000058938168 385036114 /nfs/dbraw/zinc/03/61/14/385036114.db2.gz UINICOISZGHQHS-UHFFFAOYSA-N 0 3 242.326 2.136 10 0 BEAEHN Cc1ccc(Oc2ccnc(C(=N)N)c2)cc1 ZINC000061814521 385139341 /nfs/dbraw/zinc/13/93/41/385139341.db2.gz NNNHKULRMLQTHH-UHFFFAOYSA-N 0 3 227.267 2.466 10 0 BEAEHN CC[C@](C)(O)CN[C@@H](C)c1ncc(C)s1 ZINC000119383366 385091631 /nfs/dbraw/zinc/09/16/31/385091631.db2.gz IRPNONPVTFAPIH-ONGXEEELSA-N 0 3 228.361 2.263 10 0 BEAEHN C/C=C\[C@H]1NCCc2cc(OC)c(OC)cc21 ZINC000062722347 385183680 /nfs/dbraw/zinc/18/36/80/385183680.db2.gz UOCYGISMICKYAI-QMAVJUDZSA-N 0 3 233.311 2.467 10 0 BEAEHN CCOC[C@@H](C)N[C@H](C)c1ccncc1 ZINC000044688729 385217871 /nfs/dbraw/zinc/21/78/71/385217871.db2.gz WIMVCRJRCHVJAW-GHMZBOCLSA-N 0 3 208.305 2.157 10 0 BEAEHN CCOC[C@H](C)NCc1cnc(CC)s1 ZINC000044691854 385218488 /nfs/dbraw/zinc/21/84/88/385218488.db2.gz CQQLJETUICGPLN-VIFPVBQESA-N 0 3 228.361 2.220 10 0 BEAEHN Cc1ccc(CN[C@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000154079784 385302519 /nfs/dbraw/zinc/30/25/19/385302519.db2.gz VZBLLNPKQPHVSA-FZMZJTMJSA-N 0 3 236.359 2.406 10 0 BEAEHN C[C@H](NCC1OCCO1)c1cccc(Cl)c1 ZINC000272301453 385278856 /nfs/dbraw/zinc/27/88/56/385278856.db2.gz UPVSUFJBBDCFFR-VIFPVBQESA-N 0 3 241.718 2.364 10 0 BEAEHN NCc1cc2ccccc2nc1Br ZINC000034457959 385282377 /nfs/dbraw/zinc/28/23/77/385282377.db2.gz RUNSWKDQMKHOPR-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN COC(=O)c1coc(CN[C@@H]2CCC[C@H]2C)c1 ZINC000130777850 385284222 /nfs/dbraw/zinc/28/42/22/385284222.db2.gz XIUZNPNJSJYXDE-BXKDBHETSA-N 0 3 237.299 2.344 10 0 BEAEHN Cc1ccc([C@H]2CCCCN2CCO)o1 ZINC000177814214 385287231 /nfs/dbraw/zinc/28/72/31/385287231.db2.gz RXQHAKKXSYAKDR-LLVKDONJSA-N 0 3 209.289 2.107 10 0 BEAEHN Cc1ccc(CN[C@@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000154079667 385301723 /nfs/dbraw/zinc/30/17/23/385301723.db2.gz VZBLLNPKQPHVSA-SMDDNHRTSA-N 0 3 236.359 2.406 10 0 BEAEHN Cc1ccc([C@@H]2CCCCN2C[C@@H](C)O)o1 ZINC000192727311 385368604 /nfs/dbraw/zinc/36/86/04/385368604.db2.gz YVXKRWCRQJNZDW-PWSUYJOCSA-N 0 3 223.316 2.496 10 0 BEAEHN CCC[C@H](C(=O)N[C@@H](C)C1CCCC1)N(C)C ZINC000179326778 385373992 /nfs/dbraw/zinc/37/39/92/385373992.db2.gz GRAHJBKLJOGPOR-WCQYABFASA-N 0 3 240.391 2.412 10 0 BEAEHN CCC1CCC(NC(=O)[C@H]2NCC2(C)C)CC1 ZINC000644017826 385382329 /nfs/dbraw/zinc/38/23/29/385382329.db2.gz WERCCGUTPCTYRF-HTAVTVPLSA-N 0 3 238.375 2.069 10 0 BEAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccco1 ZINC000020206753 385441217 /nfs/dbraw/zinc/44/12/17/385441217.db2.gz FIHOEBROSDWAIR-NHCYSSNCSA-N 0 3 209.289 2.498 10 0 BEAEHN Cc1cc(C)cc(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170863373 385451040 /nfs/dbraw/zinc/45/10/40/385451040.db2.gz QWIKNIKSVPEEAK-CQSZACIVSA-N 0 3 246.354 2.080 10 0 BEAEHN CC(C)c1ccc([C@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000179059678 385437889 /nfs/dbraw/zinc/43/78/89/385437889.db2.gz FZDGGPYZWWRCAO-SMDDNHRTSA-N 0 3 246.354 2.349 10 0 BEAEHN c1ccc2nnc([C@H]3CCCCN3)cc2c1 ZINC000259465822 385469138 /nfs/dbraw/zinc/46/91/38/385469138.db2.gz LPAJEIQZPYFWDL-GFCCVEGCSA-N 0 3 213.284 2.444 10 0 BEAEHN CSCCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000171635745 385502947 /nfs/dbraw/zinc/50/29/47/385502947.db2.gz BLVDYTLJEBPLTA-GFCCVEGCSA-N 0 3 239.388 2.191 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1cnccn1 ZINC000378774020 385503953 /nfs/dbraw/zinc/50/39/53/385503953.db2.gz GXJPJHBFVICMQA-NNYUYHANSA-N 0 3 217.316 2.316 10 0 BEAEHN CC(C)[C@H](C)NCc1ncc(CN(C)C)s1 ZINC000309325477 385530204 /nfs/dbraw/zinc/53/02/04/385530204.db2.gz GKFCWHAZKQYSQE-JTQLQIEISA-N 0 3 241.404 2.339 10 0 BEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606387 385532898 /nfs/dbraw/zinc/53/28/98/385532898.db2.gz MSOAHCLTHBKMPR-MWLCHTKSSA-N 0 3 248.355 2.005 10 0 BEAEHN CC(C)[C@H](C)NCc1cn2c(n1)CCCC2 ZINC000309314327 385527359 /nfs/dbraw/zinc/52/73/59/385527359.db2.gz CQAVXTTXKCERDM-NSHDSACASA-N 0 3 221.348 2.354 10 0 BEAEHN COC(=O)[C@@H]1CCCCCC[C@H]1NCCF ZINC000309414990 385575017 /nfs/dbraw/zinc/57/50/17/385575017.db2.gz CLPBUAYLJOBTBS-GHMZBOCLSA-N 0 3 231.311 2.058 10 0 BEAEHN CNCc1sc(-c2ccco2)nc1C ZINC000054456642 385557109 /nfs/dbraw/zinc/55/71/09/385557109.db2.gz AECUJJAIBZROET-UHFFFAOYSA-N 0 3 208.286 2.431 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000037164331 385596941 /nfs/dbraw/zinc/59/69/41/385596941.db2.gz PLQDWJFDJVJENU-NWDGAFQWSA-N 0 3 241.281 2.358 10 0 BEAEHN CCOc1ccccc1CN[C@H]1CCC[C@@H](O)C1 ZINC000037164406 385597621 /nfs/dbraw/zinc/59/76/21/385597621.db2.gz MYKAWWZQBBHUEK-UONOGXRCSA-N 0 3 249.354 2.478 10 0 BEAEHN O[C@H]1CCC[C@@H](NCc2c(F)cccc2F)C1 ZINC000037164531 385597686 /nfs/dbraw/zinc/59/76/86/385597686.db2.gz XBOPWRVNKPSTHH-ZJUUUORDSA-N 0 3 241.281 2.358 10 0 BEAEHN CC(C)N1CCC[C@@H](c2cccnn2)C1 ZINC000259600996 385588690 /nfs/dbraw/zinc/58/86/90/385588690.db2.gz ZRRWPKOMVWHZNX-LLVKDONJSA-N 0 3 205.305 2.064 10 0 BEAEHN CC(C)(C)[C@H]1CCc2n[nH]c(CN)c2C1 ZINC000082640513 385622568 /nfs/dbraw/zinc/62/25/68/385622568.db2.gz GBIIOSGZXGKWQN-QMMMGPOBSA-N 0 3 207.321 2.019 10 0 BEAEHN c1coc(CNC[C@@H]2CC23CCOCC3)c1 ZINC000309637672 385761361 /nfs/dbraw/zinc/76/13/61/385761361.db2.gz SZUTUELUUJITNM-NSHDSACASA-N 0 3 221.300 2.186 10 0 BEAEHN Cc1nnc2n1CCC[C@@H]2N[C@@H](C)C(C)C ZINC000309644670 385767375 /nfs/dbraw/zinc/76/73/75/385767375.db2.gz VPAHFVIJAALQRK-ONGXEEELSA-N 0 3 222.336 2.056 10 0 BEAEHN CC(C)(C)Oc1ccc(Cl)c(CN)n1 ZINC000051527135 385841319 /nfs/dbraw/zinc/84/13/19/385841319.db2.gz ILTMYGCBCOYUKD-UHFFFAOYSA-N 0 3 214.696 2.371 10 0 BEAEHN CCOP(=O)(OCC)[C@@]1(C)CCCN1 ZINC000022057371 385890770 /nfs/dbraw/zinc/89/07/70/385890770.db2.gz UJLWZCRCTUPTKJ-VIFPVBQESA-N 0 3 221.237 2.352 10 0 in-vitro BEAEHN CC(C)[C@H](CCO)N[C@@H](C)c1cncs1 ZINC000123589483 385891570 /nfs/dbraw/zinc/89/15/70/385891570.db2.gz TUXOTGHOWATMMJ-UWVGGRQHSA-N 0 3 228.361 2.201 10 0 BEAEHN NC1=NCCN1c1c(Cl)cccc1Cl ZINC000034744055 385964820 /nfs/dbraw/zinc/96/48/20/385964820.db2.gz LNBABTNBIHNNTN-UHFFFAOYSA-N 0 3 230.098 2.128 10 0 BEAEHN CCN(C)c1ccc(CN[C@H]2C[C@@H]2C)cn1 ZINC000190952009 386106285 /nfs/dbraw/zinc/10/62/85/386106285.db2.gz UMKVQTLSNVCRRL-JQWIXIFHSA-N 0 3 219.332 2.036 10 0 BEAEHN Cc1ncsc1[C@@]1(N)CCS[C@@H]1C ZINC000575565589 386073185 /nfs/dbraw/zinc/07/31/85/386073185.db2.gz ALCZUXLIMQFQGN-VXNVDRBHSA-N 0 3 214.359 2.131 10 0 BEAEHN CNc1ccccc1[C@H]1COCCCN1C ZINC000616648405 386167474 /nfs/dbraw/zinc/16/74/74/386167474.db2.gz UVLANEYQMLPOMJ-CYBMUJFWSA-N 0 3 220.316 2.122 10 0 BEAEHN Cc1nc(C2(N)CCSCC2)cs1 ZINC000575576114 386181328 /nfs/dbraw/zinc/18/13/28/386181328.db2.gz KSAUIZDTXLAKEO-UHFFFAOYSA-N 0 3 214.359 2.133 10 0 BEAEHN C[C@](N)(CO)c1ccc(Cl)cc1Cl ZINC000038124428 386124696 /nfs/dbraw/zinc/12/46/96/386124696.db2.gz ZCLUUTUQVDJMNN-VIFPVBQESA-N 0 3 220.099 2.160 10 0 BEAEHN COC(=O)c1coc(CN[C@@H]2CCC[C@@H]2C)c1 ZINC000130778093 386202730 /nfs/dbraw/zinc/20/27/30/386202730.db2.gz XIUZNPNJSJYXDE-JOYOIKCWSA-N 0 3 237.299 2.344 10 0 BEAEHN COC[C@H](NC[C@@H]1CCCN1C)c1ccccc1 ZINC000226013712 386233140 /nfs/dbraw/zinc/23/31/40/386233140.db2.gz DNXIQCUZHLJYOZ-GJZGRUSLSA-N 0 3 248.370 2.058 10 0 BEAEHN c1ccc(CN2CCN(C34CC(C3)C4)CC2)cc1 ZINC000604977514 386194440 /nfs/dbraw/zinc/19/44/40/386194440.db2.gz SHUCDXXXFCPPEN-UHFFFAOYSA-N 0 3 242.366 2.357 10 0 BEAEHN C[C@@H]1CCCC[C@H]1N[C@@H]1CCCn2ncnc21 ZINC000164749985 386284096 /nfs/dbraw/zinc/28/40/96/386284096.db2.gz CVWYNKGSKLAJEI-IJLUTSLNSA-N 0 3 234.347 2.281 10 0 BEAEHN CCC[C@](C)(N)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366344858 386378154 /nfs/dbraw/zinc/37/81/54/386378154.db2.gz GHBKJDLETQDCFW-DYEKYZERSA-N 0 3 238.375 2.295 10 0 BEAEHN CC(C)[C@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000135198673 386490465 /nfs/dbraw/zinc/49/04/65/386490465.db2.gz CSMDCCJRRNCAAM-LBPRGKRZSA-N 0 3 238.375 2.153 10 0 BEAEHN Cc1cc(CN2C[C@H](O)CC[C@@H]2C)cs1 ZINC000399209649 386454594 /nfs/dbraw/zinc/45/45/94/386454594.db2.gz QFOLGVOUNZXTFN-JOYOIKCWSA-N 0 3 225.357 2.402 10 0 BEAEHN C[C@@]1(C(=O)NCCC2CCCC2)CCCCN1 ZINC000136167304 386570492 /nfs/dbraw/zinc/57/04/92/386570492.db2.gz WNJWQMFTQIJEME-AWEZNQCLSA-N 0 3 238.375 2.215 10 0 BEAEHN N[C@H](Cc1ccncc1)c1cccs1 ZINC000053134895 386661137 /nfs/dbraw/zinc/66/11/37/386661137.db2.gz SDUZCWGCCJVTCO-SNVBAGLBSA-N 0 3 204.298 2.386 10 0 BEAEHN Cc1ccc([C@H](C)NCCn2cncn2)cc1C ZINC000268836402 386669059 /nfs/dbraw/zinc/66/90/59/386669059.db2.gz PLXJVLORPQGCAF-ZDUSSCGKSA-N 0 3 244.342 2.246 10 0 BEAEHN C[C@@H]1[C@@H](O)CCCN1Cc1ccsc1 ZINC000295141424 386691008 /nfs/dbraw/zinc/69/10/08/386691008.db2.gz ZVOUVHLBJGABPK-KOLCDFICSA-N 0 3 211.330 2.093 10 0 BEAEHN C[C@H]1[C@H](O)CCCN1Cc1cccs1 ZINC000295113404 386691219 /nfs/dbraw/zinc/69/12/19/386691219.db2.gz WKJAITHCKNLPGD-GXSJLCMTSA-N 0 3 211.330 2.093 10 0 BEAEHN Cc1cnc([C@H](C)N[C@H](C)C(C)C)cn1 ZINC000336760990 386747626 /nfs/dbraw/zinc/74/76/26/386747626.db2.gz MRRLPVUPSCWTJJ-MNOVXSKESA-N 0 3 207.321 2.480 10 0 BEAEHN CSC1([C@@H]2N[C@H](C)CCS2)CC1 ZINC000307596083 386747831 /nfs/dbraw/zinc/74/78/31/386747831.db2.gz LZJHJVZPLVTSOR-HTQZYQBOSA-N 0 3 203.376 2.323 10 0 BEAEHN CC[C@H](NCCC(=O)OC)c1ccccc1F ZINC000122481147 386755526 /nfs/dbraw/zinc/75/55/26/386755526.db2.gz ODXHZSDZZVTSJG-LBPRGKRZSA-N 0 3 239.290 2.430 10 0 BEAEHN Cc1cc(C2(N)CCSCC2)sn1 ZINC000575577663 387037538 /nfs/dbraw/zinc/03/75/38/387037538.db2.gz QETTVLBRWQTEMR-UHFFFAOYSA-N 0 3 214.359 2.133 10 0 BEAEHN CC(C)[C@@H]1CCCCN1CC(=O)NC(C)(C)C ZINC000117347355 387018767 /nfs/dbraw/zinc/01/87/67/387018767.db2.gz VDPDLYMHCQBCMY-LBPRGKRZSA-N 0 3 240.391 2.412 10 0 BEAEHN COC1CC(N)(c2sccc2Cl)C1 ZINC000575455766 387027935 /nfs/dbraw/zinc/02/79/35/387027935.db2.gz YBVUOTVAZZZEBY-UHFFFAOYSA-N 0 3 217.721 2.364 10 0 BEAEHN N[C@@H](CCF)c1cc(F)cc(F)c1F ZINC000575438187 387104098 /nfs/dbraw/zinc/10/40/98/387104098.db2.gz DTBAAZXWBIEKRL-QMMMGPOBSA-N 0 3 207.170 2.463 10 0 BEAEHN COc1cccc([C@@H](N)CC(F)F)c1OC ZINC000575437239 387107046 /nfs/dbraw/zinc/10/70/46/387107046.db2.gz BPVSTUKBYIEYIT-QMMMGPOBSA-N 0 3 231.242 2.359 10 0 BEAEHN COc1cc(F)ccc1[C@@H](N)CC(F)F ZINC000575437675 387108706 /nfs/dbraw/zinc/10/87/06/387108706.db2.gz NRYNNTCJXYRUEX-QMMMGPOBSA-N 0 3 219.206 2.489 10 0 BEAEHN N[C@H](CC[NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575439451 387123496 /nfs/dbraw/zinc/12/34/96/387123496.db2.gz MEDFFGYKCPXMGK-MRVPVSSYSA-N 0 3 235.114 2.048 10 0 BEAEHN COc1c(F)cccc1[C@H](N)CCF ZINC000575439432 387124416 /nfs/dbraw/zinc/12/44/16/387124416.db2.gz KWDKHYKERFRIAN-SECBINFHSA-N 0 3 201.216 2.194 10 0 BEAEHN COc1cc(F)ccc1[C@H](N)CCF ZINC000575440112 387127396 /nfs/dbraw/zinc/12/73/96/387127396.db2.gz VGFYVXGREYFSTF-SECBINFHSA-N 0 3 201.216 2.194 10 0 BEAEHN CCC[C@H](C(=O)NC[C@@H]1CCCN1C)C(C)C ZINC000119878632 387150517 /nfs/dbraw/zinc/15/05/17/387150517.db2.gz WFLKJDQDNNZLMI-STQMWFEESA-N 0 3 240.391 2.269 10 0 BEAEHN C[C@@H]1C[C@@H](c2ccccc2)C[C@@H](O)N1C ZINC000536949853 387160543 /nfs/dbraw/zinc/16/05/43/387160543.db2.gz GMAAEVUSVBNALE-RAIGVLPGSA-N 0 3 205.301 2.203 10 0 BEAEHN CCc1c(C)nc2snc(CN)c2c1C ZINC000536955907 387169556 /nfs/dbraw/zinc/16/95/56/387169556.db2.gz VNARFGOUWNJHHE-UHFFFAOYSA-N 0 3 221.329 2.329 10 0 BEAEHN CSC[C@@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000187885429 387218073 /nfs/dbraw/zinc/21/80/73/387218073.db2.gz ICSDNOPPHMSMBD-WDEREUQCSA-N 0 3 241.356 2.140 10 0 BEAEHN CCC[C@@H](C(=O)N1CCC[C@H](CC)C1)N(C)C ZINC000161543202 387241337 /nfs/dbraw/zinc/24/13/37/387241337.db2.gz NUXBVOFGWWVYDR-STQMWFEESA-N 0 3 240.391 2.365 10 0 BEAEHN C[C@@H](C1CC1)N(C[C@H](O)C(F)(F)F)C1CC1 ZINC000121049555 387291220 /nfs/dbraw/zinc/29/12/20/387291220.db2.gz UHOOZJZYNQUKNT-XVKPBYJWSA-N 0 3 237.265 2.173 10 0 BEAEHN CCN(C[C@H](O)C(F)(F)F)[C@@H](C)C(C)C ZINC000121074799 387291800 /nfs/dbraw/zinc/29/18/00/387291800.db2.gz BASIASZNAAQVAK-IUCAKERBSA-N 0 3 227.270 2.276 10 0 BEAEHN COC(=O)c1ccc(CN2C[C@H]3CCC[C@@H]32)cc1 ZINC000353896110 387292268 /nfs/dbraw/zinc/29/22/68/387292268.db2.gz DWODXIZWHYBWHC-KGLIPLIRSA-N 0 3 245.322 2.458 10 0 BEAEHN CSc1ccnc(C2CCN(C)CC2)n1 ZINC000575601263 387361012 /nfs/dbraw/zinc/36/10/12/387361012.db2.gz ULGYWLMZMSJECI-UHFFFAOYSA-N 0 3 223.345 2.008 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000515435177 387380601 /nfs/dbraw/zinc/38/06/01/387380601.db2.gz ZESHMTXQZRBTGT-GHMZBOCLSA-N 0 3 207.321 2.305 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1c(C)cnn1C ZINC000286587168 387331844 /nfs/dbraw/zinc/33/18/44/387331844.db2.gz QMORHTPBLQRCHZ-WDEREUQCSA-N 0 3 207.321 2.007 10 0 BEAEHN C[C@@H]1N(Cc2ccccc2)CC[C@]12CC(=O)CO2 ZINC000575499349 387337380 /nfs/dbraw/zinc/33/73/80/387337380.db2.gz FNSOKCDQOJPIFH-WFASDCNBSA-N 0 3 245.322 2.009 10 0 BEAEHN C[C@H]1N(Cc2ccccc2)CC[C@@]12CC(=O)CO2 ZINC000575499346 387337489 /nfs/dbraw/zinc/33/74/89/387337489.db2.gz FNSOKCDQOJPIFH-IUODEOHRSA-N 0 3 245.322 2.009 10 0 BEAEHN O=C1CO[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000575499398 387339986 /nfs/dbraw/zinc/33/99/86/387339986.db2.gz GSXQYWQEOHPLFD-HNNXBMFYSA-N 0 3 245.322 2.011 10 0 BEAEHN Cc1ccc(C(=O)[C@@H]2CCCCN2)cc1 ZINC000058327479 387351049 /nfs/dbraw/zinc/35/10/49/387351049.db2.gz KYMBTFOXMFFMQI-LBPRGKRZSA-N 0 3 203.285 2.320 10 0 BEAEHN CCOc1cc(CN)c(OCC)cc1F ZINC000575721333 387443203 /nfs/dbraw/zinc/44/32/03/387443203.db2.gz KPPKNTUOEJABMK-UHFFFAOYSA-N 0 3 213.252 2.082 10 0 BEAEHN CCOc1cc(CN)c(OCC)cc1C ZINC000575721451 387444966 /nfs/dbraw/zinc/44/49/66/387444966.db2.gz LSBGDQJQBPUPMS-UHFFFAOYSA-N 0 3 209.289 2.251 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000038092912 387452545 /nfs/dbraw/zinc/45/25/45/387452545.db2.gz YHQXDCWXLZGVMJ-LDYMZIIASA-N 0 3 240.734 2.255 10 0 BEAEHN C[C@@]1([C@@H](N)c2cncs2)CCCS1 ZINC000575515266 387422894 /nfs/dbraw/zinc/42/28/94/387422894.db2.gz PRSXKYVIARDAGT-IUCAKERBSA-N 0 3 214.359 2.429 10 0 BEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1ccno1 ZINC000300404210 387518030 /nfs/dbraw/zinc/51/80/30/387518030.db2.gz HDNXWJMKSMZNLL-STQMWFEESA-N 0 3 249.358 2.123 10 0 BEAEHN C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)C)CCN1C ZINC000123942770 387600287 /nfs/dbraw/zinc/60/02/87/387600287.db2.gz VCHGUWOUJUHHKI-VXGBXAGGSA-N 0 3 240.391 2.364 10 0 BEAEHN Cc1cc(CN(CCO)C2CCCC2)ccn1 ZINC000527532285 387623946 /nfs/dbraw/zinc/62/39/46/387623946.db2.gz CRGHSQPTMXXHCR-UHFFFAOYSA-N 0 3 234.343 2.127 10 0 BEAEHN C[C@@H]1C[C@H](NCc2nncn2C)CC(C)(C)C1 ZINC000037989078 387569372 /nfs/dbraw/zinc/56/93/72/387569372.db2.gz QWFGQBSMIVXVDS-MNOVXSKESA-N 0 3 236.363 2.120 10 0 BEAEHN C[C@](N)(c1ccc(Br)cn1)C1CC1 ZINC000575556068 387694591 /nfs/dbraw/zinc/69/45/91/387694591.db2.gz NMLLTUXMALFQPO-SNVBAGLBSA-N 0 3 241.132 2.428 10 0 BEAEHN CCC[C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124829076 387634407 /nfs/dbraw/zinc/63/44/07/387634407.db2.gz MOOYOLVJEFESGY-XQQFMLRXSA-N 0 3 240.391 2.364 10 0 BEAEHN COc1cc(C)nc(CN[C@@H](C)C2CC2)c1 ZINC000125959842 387668228 /nfs/dbraw/zinc/66/82/28/387668228.db2.gz XGPTXFVKMIKEOZ-JTQLQIEISA-N 0 3 220.316 2.287 10 0 BEAEHN COc1cc(C)nc(CNC2CCCC2)c1 ZINC000125952829 387668504 /nfs/dbraw/zinc/66/85/04/387668504.db2.gz BKKIYBGLERSDAZ-UHFFFAOYSA-N 0 3 220.316 2.431 10 0 BEAEHN CCOCCN[C@H](C)c1c(C)nn(CC)c1C ZINC000045169945 387707329 /nfs/dbraw/zinc/70/73/29/387707329.db2.gz IRUBMKZJGUUBLC-SNVBAGLBSA-N 0 3 239.363 2.207 10 0 BEAEHN Cc1ncsc1[C@]1(N)CCS[C@H]1C ZINC000575565584 387734298 /nfs/dbraw/zinc/73/42/98/387734298.db2.gz ALCZUXLIMQFQGN-CBAPKCEASA-N 0 3 214.359 2.131 10 0 BEAEHN N[C@@]1(c2cscc2Br)CCOC1 ZINC000575567761 387736543 /nfs/dbraw/zinc/73/65/43/387736543.db2.gz LBJOONJVNYQNJV-QMMMGPOBSA-N 0 3 248.145 2.085 10 0 BEAEHN C[C@@H]1CC[C@@](N)(c2ccns2)CS1 ZINC000575567810 387736638 /nfs/dbraw/zinc/73/66/38/387736638.db2.gz AGLAWHSYLLZHLI-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN CC(C)[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000157174750 387762317 /nfs/dbraw/zinc/76/23/17/387762317.db2.gz HKDIUPNYXXPMPQ-GFCCVEGCSA-N 0 3 243.395 2.013 10 0 BEAEHN C1=CO[C@H](CN2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000193759799 387862448 /nfs/dbraw/zinc/86/24/48/387862448.db2.gz YAXOHEIANJUUAM-BFHYXJOUSA-N 0 3 237.343 2.323 10 0 BEAEHN Cc1cc(C)c([C@@H](N)CN(C)C)c(C)c1 ZINC000019259479 177872272 /nfs/dbraw/zinc/87/22/72/177872272.db2.gz DZORKHGIYYTPIG-LBPRGKRZSA-N 0 3 206.333 2.173 10 0 BEAEHN COCCCN1CCC[C@H](c2nccs2)C1 ZINC000195340149 387920444 /nfs/dbraw/zinc/92/04/44/387920444.db2.gz GZTWRDBDNDQQRY-NSHDSACASA-N 0 3 240.372 2.359 10 0 BEAEHN C[C@@H]1CN([C@H]2Cc3ccccc3[C@H]2O)CCS1 ZINC000245856615 387988658 /nfs/dbraw/zinc/98/86/58/387988658.db2.gz NRJBWVMLOLHGON-DDTOSNHZSA-N 0 3 249.379 2.082 10 0 BEAEHN CCSCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000246181182 388016518 /nfs/dbraw/zinc/01/65/18/388016518.db2.gz ROPNMUIYZYGDFC-VXGBXAGGSA-N 0 3 229.389 2.383 10 0 BEAEHN NCc1ccc(-c2cncc(F)c2)s1 ZINC000070601107 388084598 /nfs/dbraw/zinc/08/45/98/388084598.db2.gz RXNDAWPSCAEHER-UHFFFAOYSA-N 0 3 208.261 2.408 10 0 BEAEHN C[C@@H]1CS[C@H]([C@H]2CCCSC2)N1 ZINC000306423124 388096703 /nfs/dbraw/zinc/09/67/03/388096703.db2.gz FDXOBJHBCMHHAE-HRDYMLBCSA-N 0 3 203.376 2.181 10 0 BEAEHN COC[C@@H](N)c1ccc(Br)s1 ZINC000071546904 388098525 /nfs/dbraw/zinc/09/85/25/388098525.db2.gz GGVCXQPRULTOOZ-RXMQYKEDSA-N 0 3 236.134 2.157 10 0 BEAEHN c1n[nH]cc1CNCc1cccc2cccnc21 ZINC000038006030 388101660 /nfs/dbraw/zinc/10/16/60/388101660.db2.gz SZEJQYQNNBVZRG-UHFFFAOYSA-N 0 3 238.294 2.248 10 0 BEAEHN CCN1CCC[C@H](N[C@@H](C)c2nccs2)C1 ZINC000083143104 388046271 /nfs/dbraw/zinc/04/62/71/388046271.db2.gz UBMZEMYVHZNBEY-QWRGUYRKSA-N 0 3 239.388 2.278 10 0 BEAEHN C[C@H](NC[C@H](O)C(C)(C)C)c1cncs1 ZINC000164043497 388138608 /nfs/dbraw/zinc/13/86/08/388138608.db2.gz IZCZVNFQYXZTBH-WPRPVWTQSA-N 0 3 228.361 2.201 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1ccc(CO)o1 ZINC000165036454 388250561 /nfs/dbraw/zinc/25/05/61/388250561.db2.gz NBGGFFGTABLERX-JOYOIKCWSA-N 0 3 209.289 2.050 10 0 BEAEHN O=C(Cc1ccsc1)[C@H]1CCCCCN1 ZINC000226522138 388352605 /nfs/dbraw/zinc/35/26/05/388352605.db2.gz PZWAZMNUZAZCQL-LLVKDONJSA-N 0 3 223.341 2.392 10 0 BEAEHN CCC(C)(C)OCCNCc1cnn(C)c1C ZINC000308547467 388442508 /nfs/dbraw/zinc/44/25/08/388442508.db2.gz QKBDQUQQHQMOCB-UHFFFAOYSA-N 0 3 239.363 2.023 10 0 BEAEHN CCc1ccc(CN[C@@H]2CCO[C@H]2C)o1 ZINC000134244539 388474859 /nfs/dbraw/zinc/47/48/59/388474859.db2.gz JHHJYYSPTNLXSM-JOYOIKCWSA-N 0 3 209.289 2.109 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)C1CC1 ZINC000175275701 388429016 /nfs/dbraw/zinc/42/90/16/388429016.db2.gz RZEWYIHPJOSROC-WCQYABFASA-N 0 3 240.391 2.125 10 0 BEAEHN CO[C@@H]1C[C@@H](N[C@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396009 388438159 /nfs/dbraw/zinc/43/81/59/388438159.db2.gz PPABHNZJJLJQEE-YUSALJHKSA-N 0 3 235.331 2.018 10 0 BEAEHN CCC[C@@H](C(=O)N(C)C[C@H](C)CC)N(C)C ZINC000178658676 388503242 /nfs/dbraw/zinc/50/32/42/388503242.db2.gz UWICGRZRBHIKJF-NEPJUHHUSA-N 0 3 228.380 2.221 10 0 BEAEHN CN1CCNC(Cc2cccc3ccccc32)=N1 ZINC000090505110 388591315 /nfs/dbraw/zinc/59/13/15/388591315.db2.gz LHNCXCNNNBRXIX-UHFFFAOYSA-N 0 3 239.322 2.231 10 0 BEAEHN CSC[C@@H](N)c1cc(F)ccc1F ZINC000055243547 388597173 /nfs/dbraw/zinc/59/71/73/388597173.db2.gz TWTCYZOGLONYMM-SECBINFHSA-N 0 3 203.257 2.328 10 0 BEAEHN NCc1ccncc1Oc1ccccc1 ZINC000162461118 388619823 /nfs/dbraw/zinc/61/98/23/388619823.db2.gz WSTAFSHFNMUGRZ-UHFFFAOYSA-N 0 3 200.241 2.333 10 0 BEAEHN COc1cc([C@@H]([NH3+])CCF)cc(Cl)c1[O-] ZINC000575439221 388627156 /nfs/dbraw/zinc/62/71/56/388627156.db2.gz QBDNZBCHSFWKFX-QMMMGPOBSA-N 0 3 233.670 2.414 10 0 BEAEHN COC(=O)C[C@H](N)c1csc2ccccc21 ZINC000054462689 388639639 /nfs/dbraw/zinc/63/96/39/388639639.db2.gz YSTHYNLIOXIOJZ-JTQLQIEISA-N 0 3 235.308 2.464 10 0 BEAEHN CN[C@@H](c1ccsc1)c1cccnc1 ZINC000037761945 388644829 /nfs/dbraw/zinc/64/48/29/388644829.db2.gz OWCCYFWSZFPSTP-LLVKDONJSA-N 0 3 204.298 2.452 10 0 BEAEHN CCN(C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000126257778 388692719 /nfs/dbraw/zinc/69/27/19/388692719.db2.gz IMBZCRTZVQLVNM-UHFFFAOYSA-N 0 3 219.288 2.430 10 0 BEAEHN Cc1cccc(CN[C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000127301491 388720071 /nfs/dbraw/zinc/72/00/71/388720071.db2.gz NUGHEASZROADOM-JSGCOSHPSA-N 0 3 245.370 2.105 10 0 BEAEHN C[C@@H]1OCC[C@]1(N)c1sccc1Cl ZINC000575449294 388728964 /nfs/dbraw/zinc/72/89/64/388728964.db2.gz GDUUIXAAUJWKOB-IMTBSYHQSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1cccc(O)c1 ZINC000227839031 388759841 /nfs/dbraw/zinc/75/98/41/388759841.db2.gz MSNYANXPHBVKPX-GIPNMCIBSA-N 0 3 221.300 2.220 10 0 BEAEHN C[C@H]1C[C@@H]1c1ccc(CNCC2CC(O)C2)o1 ZINC000091538265 388766897 /nfs/dbraw/zinc/76/68/97/388766897.db2.gz QGDQIBFPCVLETN-YUVKLTJASA-N 0 3 235.327 2.264 10 0 BEAEHN COC(=O)[C@]1(C)CCCN1C[C@@H]1CC=CCC1 ZINC000250132212 388784960 /nfs/dbraw/zinc/78/49/60/388784960.db2.gz XHOOUOPLPIOHKA-OCCSQVGLSA-N 0 3 237.343 2.370 10 0 BEAEHN Cc1ncc([C@H](N)[C@]2(C)C[C@H]2F)s1 ZINC000575466693 388838737 /nfs/dbraw/zinc/83/87/37/388838737.db2.gz PWNLPTIZNDHVCB-HRDYMLBCSA-N 0 3 200.282 2.199 10 0 BEAEHN CC[C@H]1CCCN(c2ccnc(CN)c2)C1 ZINC000051396978 132360488 /nfs/dbraw/zinc/36/04/88/132360488.db2.gz PEZNMLNJGDKOKU-NSHDSACASA-N 0 3 219.332 2.167 10 0 BEAEHN C[C@H]1CN(c2ccc(F)c(Cl)c2)CCN1 ZINC000071533837 132308857 /nfs/dbraw/zinc/30/88/57/132308857.db2.gz YXFWZUYNMBMTKJ-QMMMGPOBSA-N 0 3 228.698 2.277 10 0 BEAEHN Cc1ccc(N2CCNCC2)c(Cl)c1 ZINC000037483558 132344773 /nfs/dbraw/zinc/34/47/73/132344773.db2.gz FLNCWBXLORVDSE-UHFFFAOYSA-N 0 3 210.708 2.058 10 0 BEAEHN Nc1cccc(N2CCc3ccccc3C2)n1 ZINC000013488066 132321597 /nfs/dbraw/zinc/32/15/97/132321597.db2.gz QDOWQPQWJXJCRA-UHFFFAOYSA-N 0 3 225.295 2.227 10 0 BEAEHN CC(C)(C)N1CCN(c2cccc(N)c2)CC1 ZINC000020265166 132330370 /nfs/dbraw/zinc/33/03/70/132330370.db2.gz GDVQXCDMSGITDY-UHFFFAOYSA-N 0 3 233.359 2.189 10 0 BEAEHN CCCCN1CCN(c2ccccc2N)CC1 ZINC000020265404 132330429 /nfs/dbraw/zinc/33/04/29/132330429.db2.gz DBHVTPVJIWDXGZ-UHFFFAOYSA-N 0 3 233.359 2.191 10 0 BEAEHN CCCCc1ccccc1N1CCNCC1 ZINC000026002752 132333154 /nfs/dbraw/zinc/33/31/54/132333154.db2.gz XJZVCNGBKRTGFO-UHFFFAOYSA-N 0 3 218.344 2.439 10 0 BEAEHN C[C@@H](N)c1cc(F)ccc1N1CCOC[C@@H]1C ZINC000035776807 132339403 /nfs/dbraw/zinc/33/94/03/132339403.db2.gz YNUYTOYNVKCVOO-VHSXEESVSA-N 0 3 238.306 2.071 10 0 BEAEHN Cc1ccc(N2CCN(C(C)C)CC2)c(N)c1 ZINC000036170609 132340467 /nfs/dbraw/zinc/34/04/67/132340467.db2.gz VPLLSMAOHMPMOL-UHFFFAOYSA-N 0 3 233.359 2.108 10 0 BEAEHN C[C@@](N)(C(=O)N1CCCc2ccccc21)C1CC1 ZINC000037614347 132345007 /nfs/dbraw/zinc/34/50/07/132345007.db2.gz QKKJEZPPEMFBPI-HNNXBMFYSA-N 0 3 244.338 2.093 10 0 BEAEHN C[C@H]1CNCCN1c1ccc(Cl)cc1F ZINC000038212920 132346075 /nfs/dbraw/zinc/34/60/75/132346075.db2.gz PZZWVJFHCCPXCR-QMMMGPOBSA-N 0 3 228.698 2.277 10 0 BEAEHN Fc1ccc(N2CCNCC2)cc1C(F)(F)F ZINC000042371357 132351217 /nfs/dbraw/zinc/35/12/17/132351217.db2.gz GRMGTJHSIVCGEW-UHFFFAOYSA-N 0 3 248.223 2.254 10 0 BEAEHN CC(C)COc1ccccc1N1CCNCC1 ZINC000043461302 132353098 /nfs/dbraw/zinc/35/30/98/132353098.db2.gz PBPUQHQFMXRUIH-UHFFFAOYSA-N 0 3 234.343 2.131 10 0 BEAEHN Cc1cc(N2CCN(C(C)C)CC2)ccc1CO ZINC000050582840 132359234 /nfs/dbraw/zinc/35/92/34/132359234.db2.gz HTCRUIYDLWUVMW-UHFFFAOYSA-N 0 3 248.370 2.018 10 0 BEAEHN C[C@H]1CCCN(c2ncc(CN)cc2Cl)C1 ZINC000051396208 132360013 /nfs/dbraw/zinc/36/00/13/132360013.db2.gz OOZMLGYWNTXGIT-VIFPVBQESA-N 0 3 239.750 2.430 10 0 BEAEHN C[C@H]1CCCN(c2ccc(Cl)c(CN)n2)C1 ZINC000051396202 132360048 /nfs/dbraw/zinc/36/00/48/132360048.db2.gz ILIAPUZDTAHFCM-VIFPVBQESA-N 0 3 239.750 2.430 10 0 BEAEHN CC[C@H]1CCCCN1c1ccnc(CN)c1 ZINC000051396657 132360154 /nfs/dbraw/zinc/36/01/54/132360154.db2.gz DASWLLWOWBXEKR-LBPRGKRZSA-N 0 3 219.332 2.309 10 0 BEAEHN CC[C@@H]1CCCN(c2cccc(CN)n2)C1 ZINC000051396971 132360481 /nfs/dbraw/zinc/36/04/81/132360481.db2.gz QZQBAPWKSQXOAL-LLVKDONJSA-N 0 3 219.332 2.167 10 0 BEAEHN C[C@H]1CN(c2c(F)cccc2F)[C@@H](C)CN1 ZINC000071532814 132393865 /nfs/dbraw/zinc/39/38/65/132393865.db2.gz OWGDIIQFZOJFFN-IUCAKERBSA-N 0 3 226.270 2.151 10 0 BEAEHN C[C@H]1CN(CCC(C)(F)F)CCS1 ZINC000336187442 134121932 /nfs/dbraw/zinc/12/19/32/134121932.db2.gz AUQKVIINOAQSKH-QMMMGPOBSA-N 0 3 209.305 2.469 10 0 BEAEHN CC(C)=CCN1CCN2CCCC[C@@H]2C1 ZINC000177767356 134300032 /nfs/dbraw/zinc/30/00/32/134300032.db2.gz PAGXCEORVJFZDY-CYBMUJFWSA-N 0 3 208.349 2.123 10 0 BEAEHN O[C@]12CCCC[C@H]1CN(Cc1ccco1)CC2 ZINC000220405417 134305368 /nfs/dbraw/zinc/30/53/68/134305368.db2.gz XKPRMTPTRLGDCI-JSGCOSHPSA-N 0 3 235.327 2.407 10 0 BEAEHN Cc1noc([C@@H]2CCCN(C3CCC3)C2)n1 ZINC000178984859 134314060 /nfs/dbraw/zinc/31/40/60/134314060.db2.gz PRRNOATUGLUXRW-SNVBAGLBSA-N 0 3 221.304 2.110 10 0 BEAEHN CC(C)=CCN[C@H]1Cc2ccccc2[C@@H]1O ZINC000192314394 134583827 /nfs/dbraw/zinc/58/38/27/134583827.db2.gz KIYNDZKXPIROGP-KBPBESRZSA-N 0 3 217.312 2.201 10 0 BEAEHN CSC[C@@H](O)CN1CCC[C@H]1c1ccco1 ZINC000249434929 135038861 /nfs/dbraw/zinc/03/88/61/135038861.db2.gz ICSDNOPPHMSMBD-QWRGUYRKSA-N 0 3 241.356 2.140 10 0 BEAEHN c1ccc2oc(N3CCN4CCC[C@H]4C3)nc2c1 ZINC000249730335 135044207 /nfs/dbraw/zinc/04/42/07/135044207.db2.gz SPAYTAIOGBTFKG-NSHDSACASA-N 0 3 243.310 2.112 10 0 BEAEHN CCC(CC)CNC(=O)[C@@]1(C)CCCCN1 ZINC000163694555 135049930 /nfs/dbraw/zinc/04/99/30/135049930.db2.gz CXPGJYUSVNFWMY-CYBMUJFWSA-N 0 3 226.364 2.071 10 0 BEAEHN CC[C@@H]1CC[C@H](N[C@H](C)c2nnc3n2CCC3)C1 ZINC000251772866 135077094 /nfs/dbraw/zinc/07/70/94/135077094.db2.gz WDNSBQPYMYLMRW-UTUOFQBUSA-N 0 3 248.374 2.454 10 0 BEAEHN CC[C@H](N[C@@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898275 135141240 /nfs/dbraw/zinc/14/12/40/135141240.db2.gz VGTBPKKMYZCGST-AAEUAGOBSA-N 0 3 234.343 2.218 10 0 BEAEHN CCC[C@@](C)(N)C(=O)Nc1ccc2c(c1)COC2 ZINC000261577471 135218908 /nfs/dbraw/zinc/21/89/08/135218908.db2.gz OKBSVWACLIQDCS-CQSZACIVSA-N 0 3 248.326 2.173 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1cn(C)nc1C(C)(C)C ZINC000093963516 135609195 /nfs/dbraw/zinc/60/91/95/135609195.db2.gz CWDLLPFZFAAFOV-MWLCHTKSSA-N 0 3 221.348 2.216 10 0 BEAEHN Cc1cnc([C@H](C)NCCCn2ccnc2C)o1 ZINC000348364492 136073105 /nfs/dbraw/zinc/07/31/05/136073105.db2.gz YNFRARAWWGPJJL-NSHDSACASA-N 0 3 248.330 2.229 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC(c2ccccc2)CC1 ZINC000054074934 322855250 /nfs/dbraw/zinc/85/52/50/322855250.db2.gz GPVRQACHFRYLOD-GFCCVEGCSA-N 0 3 246.354 2.001 10 0 BEAEHN CCCN(Cc1ccccc1)C(=O)[C@@H](C)NC ZINC000054072514 322855305 /nfs/dbraw/zinc/85/53/05/322855305.db2.gz HFBFSZBNNBOPDE-GFCCVEGCSA-N 0 3 234.343 2.033 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000055421580 322857235 /nfs/dbraw/zinc/85/72/35/322857235.db2.gz GLRXTPKILLTTKZ-SSDOTTSWSA-N 0 3 246.232 2.252 10 0 BEAEHN CCOc1ccc(CN2CCC[C@@H](O)[C@H]2C)cc1 ZINC000295118448 397758279 /nfs/dbraw/zinc/75/82/79/397758279.db2.gz WZNLNGUIVHYVLL-IUODEOHRSA-N 0 3 249.354 2.431 10 0 BEAEHN C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc([O-])c(F)c1 ZINC000020551074 397966756 /nfs/dbraw/zinc/96/67/56/397966756.db2.gz ZCXJXOMGGOGZHR-GXSJLCMTSA-N 0 3 239.290 2.361 10 0 BEAEHN Cc1cc(C2(N)CCC2)ncc1Br ZINC000307168454 397999610 /nfs/dbraw/zinc/99/96/10/397999610.db2.gz VCSRUBWPTWOXMX-UHFFFAOYSA-N 0 3 241.132 2.490 10 0 BEAEHN CCOC[C@@]1(C)NCCc2sccc21 ZINC000306662687 398016750 /nfs/dbraw/zinc/01/67/50/398016750.db2.gz UNKBNJFUHYXREE-LLVKDONJSA-N 0 3 211.330 2.146 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000054073313 398024970 /nfs/dbraw/zinc/02/49/70/398024970.db2.gz QAFTYVZAWSCIOB-YPMHNXCESA-N 0 3 234.343 2.108 10 0 BEAEHN C[C@@H](CCc1ccco1)NCc1nccn1C ZINC000042225521 398030553 /nfs/dbraw/zinc/03/05/53/398030553.db2.gz CLVVSLNJESGAJQ-NSHDSACASA-N 0 3 233.315 2.124 10 0 BEAEHN Cn1c(Cl)ncc1[C@H](N)C(C)(C)C ZINC000575509344 397969576 /nfs/dbraw/zinc/96/95/76/397969576.db2.gz WYIOSJRRPYAESW-ZETCQYMHSA-N 0 3 201.701 2.119 10 0 BEAEHN c1cnn(CCN2CCC[C@H]2c2ccco2)c1 ZINC000116291733 398090199 /nfs/dbraw/zinc/09/01/99/398090199.db2.gz OTAOOEFELKNKAX-LBPRGKRZSA-N 0 3 231.299 2.313 10 0 BEAEHN CC(C)=CC(=O)Nc1ccc2c(c1)CNCC2 ZINC000069052489 398100387 /nfs/dbraw/zinc/10/03/87/398100387.db2.gz RQQZEMRYZNQKAX-UHFFFAOYSA-N 0 3 230.311 2.237 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnc(OC)s1 ZINC000389738862 398131079 /nfs/dbraw/zinc/13/10/79/398131079.db2.gz VFNILYXJJLULSH-WPRPVWTQSA-N 0 3 226.345 2.430 10 0 BEAEHN Oc1cccc2c1CC[C@@H]2NCCC1(O)CCC1 ZINC000397730531 398122103 /nfs/dbraw/zinc/12/21/03/398122103.db2.gz FICAYPOAIHONLJ-ZDUSSCGKSA-N 0 3 247.338 2.274 10 0 BEAEHN CC(C)Oc1cccc(CNCCN(C)C)c1 ZINC000032090189 167306304 /nfs/dbraw/zinc/30/63/04/167306304.db2.gz IUUSASSKQXWABB-UHFFFAOYSA-N 0 3 236.359 2.125 10 0 BEAEHN CNC(=O)CCN[C@@H](C)c1ccc(C)cc1C ZINC000044988250 409871868 /nfs/dbraw/zinc/87/18/68/409871868.db2.gz RVSSSEFYTAQJLE-LBPRGKRZSA-N 0 3 234.343 2.090 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000662890612 409968362 /nfs/dbraw/zinc/96/83/62/409968362.db2.gz YDOTVHLITQLLHZ-ZDEQEGDKSA-N 0 3 240.391 2.397 10 0 BEAEHN O[C@@H]1CCC[C@H]1N1CCC[C@H](C(F)(F)F)C1 ZINC000082413868 487612570 /nfs/dbraw/zinc/61/25/70/487612570.db2.gz XEMWEZRUPFQHHY-IVZWLZJFSA-N 0 3 237.265 2.174 10 0 BEAEHN Brc1cccc([C@@H]2CNCO2)c1 ZINC000071533574 166101647 /nfs/dbraw/zinc/10/16/47/166101647.db2.gz JKIVUDSWBZXIJR-VIFPVBQESA-N 0 3 228.089 2.068 10 0 BEAEHN CC(C)C(=O)N1c2cc(CN)ccc2C[C@@H]1C ZINC000049456046 166714427 /nfs/dbraw/zinc/71/44/27/166714427.db2.gz HPACKABCUGPEHK-JTQLQIEISA-N 0 3 232.327 2.079 10 0 BEAEHN CC(C)CNCc1ccc(OC(C)(C)C)nn1 ZINC000051527215 167008810 /nfs/dbraw/zinc/00/88/10/167008810.db2.gz JDMMJCNUFWUXDI-UHFFFAOYSA-N 0 3 237.347 2.400 10 0 BEAEHN CC(C)CNCc1nc2cc(F)ccc2[nH]1 ZINC000062742450 167009639 /nfs/dbraw/zinc/00/96/39/167009639.db2.gz CKOZFASFPWYOKB-UHFFFAOYSA-N 0 3 221.279 2.448 10 0 BEAEHN CC(C)CNCc1cnc(-c2ccccn2)nc1 ZINC000054856578 167010816 /nfs/dbraw/zinc/01/08/16/167010816.db2.gz ZNCYHPUKDYOIJW-UHFFFAOYSA-N 0 3 242.326 2.284 10 0 BEAEHN CC(C)NC(=O)Nc1ccccc1[C@@H](C)N ZINC000020209391 167079771 /nfs/dbraw/zinc/07/97/71/167079771.db2.gz KOEUGASEEUHOQI-SECBINFHSA-N 0 3 221.304 2.236 10 0 BEAEHN CC(C)NCC(=O)c1c[nH]c2c1cccc2F ZINC000082605522 167098300 /nfs/dbraw/zinc/09/83/00/167098300.db2.gz KXOYLIXQASQGOD-UHFFFAOYSA-N 0 3 234.274 2.488 10 0 BEAEHN CC(C)NCc1[nH]nc2c1CCCCC2 ZINC000050479526 167116547 /nfs/dbraw/zinc/11/65/47/167116547.db2.gz DQOKRSJCNDLLGM-UHFFFAOYSA-N 0 3 207.321 2.177 10 0 BEAEHN CC(C)NCc1cc(CN2CC[C@H](C)C2)on1 ZINC000052484451 167117272 /nfs/dbraw/zinc/11/72/72/167117272.db2.gz HDMWISKKNSAFRP-NSHDSACASA-N 0 3 237.347 2.014 10 0 BEAEHN CC(C)N[C@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037869426 167136301 /nfs/dbraw/zinc/13/63/01/167136301.db2.gz RPESFMZVCRZMHQ-ZDUSSCGKSA-N 0 3 234.343 2.334 10 0 BEAEHN CC(C)OCCN1C[C@@H](C)NCc2ccccc21 ZINC000062623425 167233885 /nfs/dbraw/zinc/23/38/85/167233885.db2.gz ZQQSIGVOJHXNQZ-CYBMUJFWSA-N 0 3 248.370 2.410 10 0 BEAEHN CC(C)OCCO[C@H]1CCc2ccccc2[C@@H]1N ZINC000020262991 167249158 /nfs/dbraw/zinc/24/91/58/167249158.db2.gz MKTMYXTZJXBILS-GJZGRUSLSA-N 0 3 249.354 2.443 10 0 BEAEHN CC(C)Oc1cc(OC2CC2)ccc1CN ZINC000095738045 167288520 /nfs/dbraw/zinc/28/85/20/167288520.db2.gz MOABYLRSCQEHGJ-UHFFFAOYSA-N 0 3 221.300 2.474 10 0 BEAEHN CC(C)Oc1cccc(OC2CC2)c1CN ZINC000095737880 167306657 /nfs/dbraw/zinc/30/66/57/167306657.db2.gz NKEQWNNWVPOGRA-UHFFFAOYSA-N 0 3 221.300 2.474 10 0 BEAEHN CC(C)[C@@H](C)N(C)c1ncccc1CN ZINC000036786383 167371336 /nfs/dbraw/zinc/37/13/36/167371336.db2.gz ZCFQPYBVZRMLEU-SNVBAGLBSA-N 0 3 207.321 2.021 10 0 BEAEHN CC[C@@H](NC(=O)[C@@H](CN)c1ccccc1)C(C)C ZINC000061612836 411169149 /nfs/dbraw/zinc/16/91/49/411169149.db2.gz NSJVHXJRBHKPAH-UONOGXRCSA-N 0 3 248.370 2.280 10 0 BEAEHN C[C@H]1CC[C@H](NCc2ccccn2)CS1 ZINC000655683270 411224254 /nfs/dbraw/zinc/22/42/54/411224254.db2.gz BRNPHGSQRNCDSB-JQWIXIFHSA-N 0 3 222.357 2.455 10 0 BEAEHN CO[C@@H]1CC[C@@H]2OCCN(C3CCCC3)[C@@H]2C1 ZINC000092097362 411268469 /nfs/dbraw/zinc/26/84/69/411268469.db2.gz DDVHQPVYZRFYQN-MCIONIFRSA-N 0 3 239.359 2.197 10 0 BEAEHN CCC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000660135008 411252595 /nfs/dbraw/zinc/25/25/95/411252595.db2.gz VHWWBDKCZDDZDU-HZSPNIEDSA-N 0 3 241.375 2.038 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1cc(F)cc(F)c1 ZINC000658350601 411352611 /nfs/dbraw/zinc/35/26/11/411352611.db2.gz GOKXOOGMPYGNKX-BVDKZHGWSA-N 0 3 241.281 2.386 10 0 BEAEHN CCC[C@H](C(=O)NCC1(C2CC2)CC1)N(C)C ZINC000120512741 411333806 /nfs/dbraw/zinc/33/38/06/411333806.db2.gz NRHSJWIBBVNREV-GFCCVEGCSA-N 0 3 238.375 2.023 10 0 BEAEHN CC1(C)[C@H](NCc2ccoc2)[C@@H]2CCO[C@@H]21 ZINC000125926320 168014418 /nfs/dbraw/zinc/01/44/18/168014418.db2.gz GASOVSGVUSVZGY-TUAOUCFPSA-N 0 3 221.300 2.183 10 0 BEAEHN CC1(NC(=O)[C@H](CN)c2ccccc2)CCCC1 ZINC000061612763 168059614 /nfs/dbraw/zinc/05/96/14/168059614.db2.gz BYNYTOMNRQMJFZ-CYBMUJFWSA-N 0 3 246.354 2.178 10 0 BEAEHN CC1=CCOC[C@H]1NCc1ccccc1 ZINC000075603670 168117344 /nfs/dbraw/zinc/11/73/44/168117344.db2.gz JCCAPKKAFNRPAP-CYBMUJFWSA-N 0 3 203.285 2.121 10 0 BEAEHN CC1CCC(NCc2ccccc2)(C(N)=O)CC1 ZINC000037941265 168164199 /nfs/dbraw/zinc/16/41/99/168164199.db2.gz ZZMGPDLCAGJTIQ-UHFFFAOYSA-N 0 3 246.354 2.210 10 0 BEAEHN CC1CCC(c2ncc(CN)cn2)CC1 ZINC000054855401 168169451 /nfs/dbraw/zinc/16/94/51/168169451.db2.gz URHVPAZOMMSHKF-UHFFFAOYSA-N 0 3 205.305 2.229 10 0 BEAEHN CC1CCN(C[C@@H](O)c2ccco2)CC1 ZINC000032012292 168182765 /nfs/dbraw/zinc/18/27/65/168182765.db2.gz ZPWGMLQYKKWHKY-LLVKDONJSA-N 0 3 209.289 2.045 10 0 BEAEHN CC1CCN([C@H](CN)c2ccsc2)CC1 ZINC000022175280 168187527 /nfs/dbraw/zinc/18/75/27/168187527.db2.gz PUBJOMJWVIUMEB-GFCCVEGCSA-N 0 3 224.373 2.480 10 0 BEAEHN CC1CCN([C@H]2COc3ccccc3[C@@H]2N)CC1 ZINC000019272112 168187694 /nfs/dbraw/zinc/18/76/94/168187694.db2.gz ODRLCXPWCDQCLZ-ZFWWWQNUSA-N 0 3 246.354 2.179 10 0 BEAEHN CCC(C)(C)NC(=O)CN1CCCC1(C)C ZINC000102930623 168290778 /nfs/dbraw/zinc/29/07/78/168290778.db2.gz UFKOYYQAICLVNG-UHFFFAOYSA-N 0 3 226.364 2.166 10 0 BEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)O1 ZINC000659920936 411499090 /nfs/dbraw/zinc/49/90/90/411499090.db2.gz XYJDAOLZEGLXAA-AAVRWANBSA-N 0 3 241.375 2.037 10 0 BEAEHN CCN1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000056894769 170000873 /nfs/dbraw/zinc/00/08/73/170000873.db2.gz ULOKDMONFNPDPB-LBPRGKRZSA-N 0 3 224.735 2.306 10 0 BEAEHN CCN1CC[C@@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000328355343 170014371 /nfs/dbraw/zinc/01/43/71/170014371.db2.gz OTQWKQQFLALOQA-NWDGAFQWSA-N 0 3 222.332 2.333 10 0 BEAEHN CCN1CCc2nc([C@@H](N)C(C)C)sc2C1 ZINC000041059369 170025246 /nfs/dbraw/zinc/02/52/46/170025246.db2.gz ASBNXVMPSFMOHN-NSHDSACASA-N 0 3 239.388 2.177 10 0 BEAEHN CCNC(=O)CN[C@H](C)c1c(C)cc(C)cc1C ZINC000036780448 170065841 /nfs/dbraw/zinc/06/58/41/170065841.db2.gz ILZGTNZTRLQAPX-CYBMUJFWSA-N 0 3 248.370 2.399 10 0 BEAEHN CCNC(=O)CN[C@H](CC)c1ccc(CC)cc1 ZINC000036780312 170066064 /nfs/dbraw/zinc/06/60/64/170066064.db2.gz UFILOMUKNKQZJT-CQSZACIVSA-N 0 3 248.370 2.426 10 0 BEAEHN CCNC(C)(C)c1nc2ccccc2[nH]1 ZINC000061149766 170107051 /nfs/dbraw/zinc/10/70/51/170107051.db2.gz MBCZEQPHVZXXSB-UHFFFAOYSA-N 0 3 203.289 2.408 10 0 BEAEHN CCNCC(=O)c1c[nH]c2c1cccc2C ZINC000082595978 170109892 /nfs/dbraw/zinc/10/98/92/170109892.db2.gz BGJKVJLMDNSYMO-UHFFFAOYSA-N 0 3 216.284 2.269 10 0 BEAEHN CCNCC(=O)Nc1c(C)cccc1Cl ZINC000002033196 170109999 /nfs/dbraw/zinc/10/99/99/170109999.db2.gz LERRHFVVILLWHM-UHFFFAOYSA-N 0 3 226.707 2.196 10 0 BEAEHN CCNCc1c(C)nc2scc(C)n12 ZINC000037184570 170124067 /nfs/dbraw/zinc/12/40/67/170124067.db2.gz LYXIKWUZYMJVGL-UHFFFAOYSA-N 0 3 209.318 2.122 10 0 BEAEHN CCNCc1c(N2CCCC2)nc2ccccn21 ZINC000035433851 170124311 /nfs/dbraw/zinc/12/43/11/170124311.db2.gz OTGNBYYPUAAVDQ-UHFFFAOYSA-N 0 3 244.342 2.044 10 0 BEAEHN CCNCc1cc(CN(C)CC(C)(C)C)on1 ZINC000052570099 170125720 /nfs/dbraw/zinc/12/57/20/170125720.db2.gz OLWXVSHJOIFEAM-UHFFFAOYSA-N 0 3 239.363 2.262 10 0 BEAEHN CCNCc1cccnc1N1CC[C@H](C)C1 ZINC000051448266 170129013 /nfs/dbraw/zinc/12/90/13/170129013.db2.gz BYGAPFRJPWJOLP-NSHDSACASA-N 0 3 219.332 2.037 10 0 BEAEHN CCNCc1cccnc1N(C)[C@@H](C)C1CC1 ZINC000051445407 170129130 /nfs/dbraw/zinc/12/91/30/170129130.db2.gz ICCDOSXOEXBUIS-NSHDSACASA-N 0 3 233.359 2.426 10 0 BEAEHN CCNCc1cnc(-c2cccc(F)c2)nc1 ZINC000054855611 170129547 /nfs/dbraw/zinc/12/95/47/170129547.db2.gz MLIDFMAHXCGBRC-UHFFFAOYSA-N 0 3 231.274 2.392 10 0 BEAEHN CCNCc1cn2cccc(Cl)c2n1 ZINC000076792806 170129612 /nfs/dbraw/zinc/12/96/12/170129612.db2.gz HETPOTHDNRGVAV-UHFFFAOYSA-N 0 3 209.680 2.097 10 0 BEAEHN CCNCc1cnn(-c2ccccc2C)c1 ZINC000040932313 170130415 /nfs/dbraw/zinc/13/04/15/170130415.db2.gz NGZXEALWAXAJDH-UHFFFAOYSA-N 0 3 215.300 2.290 10 0 BEAEHN CCNCc1nc2c(s1)CSCC2 ZINC000053294536 170131273 /nfs/dbraw/zinc/13/12/73/170131273.db2.gz SNJZNOPOZMOBPA-UHFFFAOYSA-N 0 3 214.359 2.042 10 0 BEAEHN CCNCc1nccn1Cc1ccccc1F ZINC000035636813 170131682 /nfs/dbraw/zinc/13/16/82/170131682.db2.gz BHTUFUYSKOZGDY-UHFFFAOYSA-N 0 3 233.290 2.180 10 0 BEAEHN CCNCc1sc(CN(C)C)nc1C(C)C ZINC000082431494 170133147 /nfs/dbraw/zinc/13/31/47/170133147.db2.gz RJNZNZWVUWMVGF-UHFFFAOYSA-N 0 3 241.404 2.438 10 0 BEAEHN CCN[C@@H](C)c1cnc([C@H]2CCOC2)s1 ZINC000054160284 170142739 /nfs/dbraw/zinc/14/27/39/170142739.db2.gz JDLMJPCCHKUQMK-IUCAKERBSA-N 0 3 226.345 2.318 10 0 BEAEHN CCN[C@@H](C)c1nc2c(cccc2F)n1C ZINC000062366384 170143305 /nfs/dbraw/zinc/14/33/05/170143305.db2.gz JGUIGDHKFQTJKS-QMMMGPOBSA-N 0 3 221.279 2.383 10 0 BEAEHN CCN[C@@H](CO)c1cc(Cl)ccc1F ZINC000083264874 170144777 /nfs/dbraw/zinc/14/47/77/170144777.db2.gz CWIJQQMNOKFVCW-JTQLQIEISA-N 0 3 217.671 2.122 10 0 BEAEHN CCN[C@@H](Cc1cccc(F)c1)c1cnn(C)c1 ZINC000035555798 170146765 /nfs/dbraw/zinc/14/67/65/170146765.db2.gz CTAKVLPVTARLTM-AWEZNQCLSA-N 0 3 247.317 2.453 10 0 BEAEHN CCN[C@@H](c1ccc(C)cc1C)[C@@H]1COCCO1 ZINC000055299975 170147661 /nfs/dbraw/zinc/14/76/61/170147661.db2.gz RKICHPIMUIPRSE-GJZGRUSLSA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@@H](c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000035542423 170148325 /nfs/dbraw/zinc/14/83/25/170148325.db2.gz WPOMMKNOIMVUGT-CABCVRRESA-N 0 3 247.338 2.451 10 0 BEAEHN CCN[C@@H](c1ncccn1)C1CCCC1 ZINC000037469183 170149753 /nfs/dbraw/zinc/14/97/53/170149753.db2.gz NIFCGIQDRLSQGL-LLVKDONJSA-N 0 3 205.305 2.317 10 0 BEAEHN CCN[C@@H]1CCN(C2CCCCCCC2)C1=O ZINC000049647321 170151728 /nfs/dbraw/zinc/15/17/28/170151728.db2.gz KXSHTWMHRSBTDS-CYBMUJFWSA-N 0 3 238.375 2.310 10 0 BEAEHN CCN[C@@H]1CCC[S@](=O)c2ccccc21 ZINC000040973540 170152107 /nfs/dbraw/zinc/15/21/07/170152107.db2.gz DPGLLIVATZYEFP-IAQYHMDHSA-N 0 3 223.341 2.239 10 0 BEAEHN CCN[C@@H]1CCOc2c(OC)cc(C)cc21 ZINC000035652534 170152685 /nfs/dbraw/zinc/15/26/85/170152685.db2.gz JPDYRQRBKFLMJU-LLVKDONJSA-N 0 3 221.300 2.437 10 0 BEAEHN CCN[C@@H]1CC[S@@](=O)c2ccc(C)cc21 ZINC000040974871 170153367 /nfs/dbraw/zinc/15/33/67/170153367.db2.gz IUMIFEIDZNCFKY-ABAIWWIYSA-N 0 3 223.341 2.157 10 0 BEAEHN CCN[C@@H]1c2cc(F)cc(F)c2O[C@@H]1C ZINC000043633992 170155309 /nfs/dbraw/zinc/15/53/09/170155309.db2.gz ROERELUNIAYFDG-LDWIPMOCSA-N 0 3 213.227 2.396 10 0 BEAEHN CCN[C@@H]1c2cccc(OC)c2O[C@H]1C ZINC000043633336 170155312 /nfs/dbraw/zinc/15/53/12/170155312.db2.gz ILSHZDCFJHPWAH-KWQFWETISA-N 0 3 207.273 2.127 10 0 BEAEHN CCN[C@H](C)C(=O)c1ccc(OC)c(CC)c1 ZINC000071545936 170157284 /nfs/dbraw/zinc/15/72/84/170157284.db2.gz MHCPFDURFGQVFW-SNVBAGLBSA-N 0 3 235.327 2.438 10 0 BEAEHN CCN[C@H](C)c1ccc(OC)c(OC)c1OC ZINC000036201044 170158978 /nfs/dbraw/zinc/15/89/78/170158978.db2.gz IZQVYIXFFCUBJN-SECBINFHSA-N 0 3 239.315 2.383 10 0 BEAEHN CCN[C@H](C)c1nc2cc(F)ccc2[nH]1 ZINC000062366136 170160154 /nfs/dbraw/zinc/16/01/54/170160154.db2.gz NPULCHLQNBNVNR-SSDOTTSWSA-N 0 3 207.252 2.373 10 0 BEAEHN CCN[C@H](CC)C(=O)c1ccc(OC)cc1 ZINC000071523044 170160789 /nfs/dbraw/zinc/16/07/89/170160789.db2.gz SZBBAOZTUVSHKF-GFCCVEGCSA-N 0 3 221.300 2.266 10 0 BEAEHN CCN[C@H](CO)c1ccc(OC(C)C)c(C)c1 ZINC000071548315 170162309 /nfs/dbraw/zinc/16/23/09/170162309.db2.gz RNGAGTCPZKIJHR-CYBMUJFWSA-N 0 3 237.343 2.425 10 0 BEAEHN CCN[C@H](c1cc(C)ccc1C)[C@@H]1COCCO1 ZINC000055300047 170162935 /nfs/dbraw/zinc/16/29/35/170162935.db2.gz DHHYXXNKXQERLW-LSDHHAIUSA-N 0 3 249.354 2.369 10 0 BEAEHN CCN[C@H](Cc1ncc[nH]1)c1ccccc1F ZINC000035570331 170163064 /nfs/dbraw/zinc/16/30/64/170163064.db2.gz YPIGKWXDNZJAFF-GFCCVEGCSA-N 0 3 233.290 2.442 10 0 BEAEHN CCN[C@H](c1ccc(CC)cc1)[C@@H]1COCCO1 ZINC000055300108 170163098 /nfs/dbraw/zinc/16/30/98/170163098.db2.gz SYSMLQOFUFOBSH-LSDHHAIUSA-N 0 3 249.354 2.315 10 0 BEAEHN CCN[C@H](c1ccco1)C1CCOCC1 ZINC000061672213 170165043 /nfs/dbraw/zinc/16/50/43/170165043.db2.gz IHFJTHWUEHECDG-LBPRGKRZSA-N 0 3 209.289 2.357 10 0 BEAEHN CCN[C@H]1CCC[S@@](=O)c2ccc(F)cc21 ZINC000040974226 170166609 /nfs/dbraw/zinc/16/66/09/170166609.db2.gz KMKOGNQFSHIOJN-ZBEGNZNMSA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@H]1CCCc2nc(CC)ncc21 ZINC000050100848 170166887 /nfs/dbraw/zinc/16/68/87/170166887.db2.gz CIVNJEBCBQHZRD-JTQLQIEISA-N 0 3 205.305 2.026 10 0 BEAEHN CCN[C@H]1CCN([C@@H](C)c2cccs2)C1=O ZINC000049648756 170167496 /nfs/dbraw/zinc/16/74/96/170167496.db2.gz VZOADVKOOATAHI-UWVGGRQHSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@H]1CCOc2c(F)cc(F)cc21 ZINC000035653387 170168717 /nfs/dbraw/zinc/16/87/17/170168717.db2.gz PJKJSTJNOBVYES-JTQLQIEISA-N 0 3 213.227 2.398 10 0 BEAEHN CCN[C@H]1COc2c1cccc2OCC ZINC000035654359 170168765 /nfs/dbraw/zinc/16/87/65/170168765.db2.gz WFXLRXJSOHNRCE-JTQLQIEISA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@H]1CCc2c1c(OC)ccc2OC ZINC000042405286 170169018 /nfs/dbraw/zinc/16/90/18/170169018.db2.gz YMLKJZVSTYQANL-JTQLQIEISA-N 0 3 221.300 2.301 10 0 BEAEHN CCNc1cc(CN2CC[C@H](C)C2)ccn1 ZINC000052723167 170172055 /nfs/dbraw/zinc/17/20/55/170172055.db2.gz UPZSKBWPXYCDJQ-NSHDSACASA-N 0 3 219.332 2.355 10 0 BEAEHN CCNc1ccc(CN2CC[C@@H](C)C2)cn1 ZINC000050814676 170173592 /nfs/dbraw/zinc/17/35/92/170173592.db2.gz JHNCCABKCRECMP-LLVKDONJSA-N 0 3 219.332 2.355 10 0 BEAEHN CCNc1ncccc1CN1CC[C@H](C)C1 ZINC000052723133 170178027 /nfs/dbraw/zinc/17/80/27/170178027.db2.gz XTTNQOQGRAKWEN-NSHDSACASA-N 0 3 219.332 2.355 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1ccc(Cl)c(F)c1 ZINC000002511941 170231235 /nfs/dbraw/zinc/23/12/35/170231235.db2.gz KVXLQQGXKDKPTI-SNVBAGLBSA-N 0 3 245.681 2.432 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1cc(C)cc(C)c1 ZINC000003678321 170231289 /nfs/dbraw/zinc/23/12/89/170231289.db2.gz HLCCNLBRPAQXEI-GFCCVEGCSA-N 0 3 221.300 2.256 10 0 BEAEHN CCOC(=O)N1CCC(Nc2ccncc2)CC1 ZINC000021802370 170239329 /nfs/dbraw/zinc/23/93/29/170239329.db2.gz CTPDSERTUMBYKU-UHFFFAOYSA-N 0 3 249.314 2.114 10 0 BEAEHN CCOC(=O)Nc1ccccc1[C@@H](C)N ZINC000019389358 170243697 /nfs/dbraw/zinc/24/36/97/170243697.db2.gz YONYADQHBWDEPF-MRVPVSSYSA-N 0 3 208.261 2.275 10 0 BEAEHN CCCc1nccnc1NC[C@@H]1CCCN1CC ZINC000663319349 411623807 /nfs/dbraw/zinc/62/38/07/411623807.db2.gz RVQKYDIMPAVUCO-LBPRGKRZSA-N 0 3 248.374 2.325 10 0 BEAEHN CCOCCO[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000019272761 170421705 /nfs/dbraw/zinc/42/17/05/170421705.db2.gz AVRFQUQMUOTXGY-CABCVRRESA-N 0 3 249.354 2.444 10 0 BEAEHN OCC1CC(NCc2cccc(Cl)c2F)C1 ZINC000657813429 411603441 /nfs/dbraw/zinc/60/34/41/411603441.db2.gz XHRFSIWTNZTUIO-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN CC[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)N1 ZINC000096987020 171067311 /nfs/dbraw/zinc/06/73/11/171067311.db2.gz AAHVZRVEWFTULP-SNVBAGLBSA-N 0 3 242.363 2.384 10 0 BEAEHN CC[C@@H]1CN([C@@H](C)[C@H](N)c2ccccc2)CCO1 ZINC000036769720 171093776 /nfs/dbraw/zinc/09/37/76/171093776.db2.gz DVODEXVWHHAHIY-CFVMTHIKSA-N 0 3 248.370 2.186 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2cccc(F)c2)CN1 ZINC000036672758 171110450 /nfs/dbraw/zinc/11/04/50/171110450.db2.gz ALYPCOPSVXIWIW-VXGBXAGGSA-N 0 3 209.264 2.265 10 0 BEAEHN CC[C@@H]1CO[C@@H](c2ccc(OC)cc2)CN1 ZINC000036672866 171110909 /nfs/dbraw/zinc/11/09/09/171110909.db2.gz SITSGZLMIKJUHX-DGCLKSJQSA-N 0 3 221.300 2.135 10 0 BEAEHN CC[C@@](C)(N)c1nc(-c2cnn(C)c2)cs1 ZINC000044495460 171172411 /nfs/dbraw/zinc/17/24/11/171172411.db2.gz KVJCKZPOXWWGIA-LLVKDONJSA-N 0 3 236.344 2.128 10 0 BEAEHN CC[C@@](C)(NC)c1nc2c(s1)CCC2 ZINC000041060805 171173707 /nfs/dbraw/zinc/17/37/07/171173707.db2.gz XSOZAXNCJSHKBO-LLVKDONJSA-N 0 3 210.346 2.476 10 0 BEAEHN CC[C@@](C)(O)CNC(C)(C)c1ncc(C)s1 ZINC000119433748 171182905 /nfs/dbraw/zinc/18/29/05/171182905.db2.gz WAPJUPNDUXWQHA-GFCCVEGCSA-N 0 3 242.388 2.437 10 0 BEAEHN CC[C@H](C)CN(C)c1nc2ccccn2c1CN ZINC000035449483 171275834 /nfs/dbraw/zinc/27/58/34/171275834.db2.gz PTOVYYRUVPTTNI-NSHDSACASA-N 0 3 246.358 2.275 10 0 BEAEHN CC[C@H](C)Cn1cccc1CNCCOC ZINC000085584278 171300790 /nfs/dbraw/zinc/30/07/90/171300790.db2.gz SEWGFKPMXDZSFU-LBPRGKRZSA-N 0 3 224.348 2.270 10 0 BEAEHN CC[C@H](C)N(CCOC)[C@@H](CN)c1ccco1 ZINC000042578309 171315393 /nfs/dbraw/zinc/31/53/93/171315393.db2.gz AIGYIPRSUFOMEP-RYUDHWBXSA-N 0 3 240.347 2.026 10 0 BEAEHN CC[C@H](C)NCC(=O)c1cc(F)ccc1OC ZINC000049829660 171339012 /nfs/dbraw/zinc/33/90/12/171339012.db2.gz XDYMSDJWNKZXGL-VIFPVBQESA-N 0 3 239.290 2.405 10 0 BEAEHN CC[C@H](C)NCC(=O)Nc1ccccc1C ZINC000020036633 171339268 /nfs/dbraw/zinc/33/92/68/171339268.db2.gz LPCCNIOHQOKMLP-NSHDSACASA-N 0 3 220.316 2.322 10 0 BEAEHN CC[C@H](C)NCc1nc(-c2cccnc2)c[nH]1 ZINC000037618040 171344459 /nfs/dbraw/zinc/34/44/59/171344459.db2.gz IRJHIIOJOZLMOS-JTQLQIEISA-N 0 3 230.315 2.360 10 0 BEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1ccc(C)cc1 ZINC000038065683 171347212 /nfs/dbraw/zinc/34/72/12/171347212.db2.gz HVQVPVDLIMDLFS-SMDDNHRTSA-N 0 3 234.343 2.084 10 0 BEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1ccc(C)c(C)c1 ZINC000038065751 171347473 /nfs/dbraw/zinc/34/74/73/171347473.db2.gz KQGQOBDJDQWFCS-SWLSCSKDSA-N 0 3 248.370 2.392 10 0 BEAEHN CC[C@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000037140710 171348296 /nfs/dbraw/zinc/34/82/96/171348296.db2.gz RICICBYIETXHDI-WDEREUQCSA-N 0 3 236.363 2.454 10 0 BEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1cc(C)ccc1C ZINC000038065557 171348493 /nfs/dbraw/zinc/34/84/93/171348493.db2.gz HTEFIOPRAMRWAB-WFASDCNBSA-N 0 3 248.370 2.392 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037017809 171371249 /nfs/dbraw/zinc/37/12/49/171371249.db2.gz UYSUOJLEXCPYQR-PTOFAABTSA-N 0 3 238.331 2.139 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nc(C(F)(F)F)c[nH]1 ZINC000088249897 171372076 /nfs/dbraw/zinc/37/20/76/171372076.db2.gz KGPBINPYSJDWBC-CAHLUQPWSA-N 0 3 221.226 2.474 10 0 BEAEHN CC[C@H](C)[C@@H](N)c1nnc2n1CCCCC2 ZINC000036896171 171372237 /nfs/dbraw/zinc/37/22/37/171372237.db2.gz RJDBVEMMCJBBOW-GXSJLCMTSA-N 0 3 222.336 2.050 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(O)c(C)c1 ZINC000122662855 171372736 /nfs/dbraw/zinc/37/27/36/171372736.db2.gz CUHYICUZTVGKBR-QPUJVOFHSA-N 0 3 236.315 2.013 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366343685 171394030 /nfs/dbraw/zinc/39/40/30/171394030.db2.gz CEHFQASNCMDTQR-CYDGBPFRSA-N 0 3 238.375 2.151 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(Cl)cn1 ZINC000040459096 171396721 /nfs/dbraw/zinc/39/67/21/171396721.db2.gz OZETUAZHRHYOMV-XVKPBYJWSA-N 0 3 241.722 2.047 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nc(C(F)(F)F)c[nH]1 ZINC000036877353 171397455 /nfs/dbraw/zinc/39/74/55/171397455.db2.gz KGPBINPYSJDWBC-FSPLSTOPSA-N 0 3 221.226 2.474 10 0 BEAEHN CC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C ZINC000042592687 171504227 /nfs/dbraw/zinc/50/42/27/171504227.db2.gz BFBZNUKQMRCLCP-KBPBESRZSA-N 0 3 248.370 2.107 10 0 BEAEHN CCC[C@H]1C[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662517109 412202613 /nfs/dbraw/zinc/20/26/13/412202613.db2.gz QVIHGFBVBBNTCY-IINYFYTJSA-N 0 3 244.338 2.208 10 0 BEAEHN CC[C@H](C)CCNC(=O)[C@]1(C)CCCCN1 ZINC000662628433 412246404 /nfs/dbraw/zinc/24/64/04/412246404.db2.gz ZRAQXFUEZXPAAS-AAEUAGOBSA-N 0 3 226.364 2.071 10 0 BEAEHN CCC[C@H](N)C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000662627234 412247724 /nfs/dbraw/zinc/24/77/24/412247724.db2.gz CQBREQHWQQDIEC-WZRBSPASSA-N 0 3 240.391 2.302 10 0 BEAEHN CC[C@H]1CO[C@@H](C)CN1CC(CC)(CC)CO ZINC000051295434 171672602 /nfs/dbraw/zinc/67/26/02/171672602.db2.gz GNEHJWDCVCXBFJ-STQMWFEESA-N 0 3 243.391 2.284 10 0 BEAEHN CCc1ccc([C@H](C)N[C@H](C)C(=O)NC)cc1 ZINC000037977774 171840890 /nfs/dbraw/zinc/84/08/90/171840890.db2.gz VQYXWYUMCKXHOJ-WDEREUQCSA-N 0 3 234.343 2.034 10 0 BEAEHN CCc1nc([C@@H](N)[C@@H]2CCOC2)sc1C ZINC000041060239 172004618 /nfs/dbraw/zinc/00/46/18/172004618.db2.gz OJJJUZPGIMPQRP-SCZZXKLOSA-N 0 3 226.345 2.050 10 0 BEAEHN CCc1nccn1[C@@H]1CCCN(CCC(C)=O)C1 ZINC000106217681 172028980 /nfs/dbraw/zinc/02/89/80/172028980.db2.gz NRUDSSFHPNHHAF-CYBMUJFWSA-N 0 3 249.358 2.062 10 0 BEAEHN CCn1c(CNC)nc2ccc(Cl)cc21 ZINC000040417252 172145231 /nfs/dbraw/zinc/14/52/31/172145231.db2.gz PWOBXQWYIXVGAK-UHFFFAOYSA-N 0 3 223.707 2.429 10 0 BEAEHN CCn1cc([C@H](N)c2cccc(F)c2)cn1 ZINC000043468955 172198954 /nfs/dbraw/zinc/19/89/54/172198954.db2.gz QEEYEEXKIWRIIW-GFCCVEGCSA-N 0 3 219.263 2.090 10 0 BEAEHN CCn1cc([C@](C)(N)c2ccccc2)cn1 ZINC000043467798 172199212 /nfs/dbraw/zinc/19/92/12/172199212.db2.gz XNDCHOHNQVQQLD-CYBMUJFWSA-N 0 3 215.300 2.125 10 0 BEAEHN CN(C(=O)C(C)(C)N)c1ccc(Cl)s1 ZINC000077365086 172295438 /nfs/dbraw/zinc/29/54/38/172295438.db2.gz FHIVUPMNKYXWCT-UHFFFAOYSA-N 0 3 232.736 2.102 10 0 BEAEHN CN(C(=O)C1(N)CCCC1)C1CCCCCC1 ZINC000037616190 172296770 /nfs/dbraw/zinc/29/67/70/172296770.db2.gz GDIJUNWHKGMCRM-UHFFFAOYSA-N 0 3 238.375 2.439 10 0 BEAEHN CN(C(=O)c1ccccc1)c1cccc(CN)c1 ZINC000061950355 172341844 /nfs/dbraw/zinc/34/18/44/172341844.db2.gz JKCXKCSBAVOBOI-UHFFFAOYSA-N 0 3 240.306 2.422 10 0 BEAEHN CN(C)C(=S)SCN1CCCCC1 ZINC000031719707 172393065 /nfs/dbraw/zinc/39/30/65/172393065.db2.gz ISLFJOPPIKIHHW-UHFFFAOYSA-N 0 3 218.391 2.010 10 0 BEAEHN CN(C)CCN1CCc2oc3ccccc3c2C1 ZINC000038540525 172456583 /nfs/dbraw/zinc/45/65/83/172456583.db2.gz DPDFOVUFSSVITC-UHFFFAOYSA-N 0 3 244.338 2.353 10 0 BEAEHN CN1CCC[C@@H](Nc2cnnc3ccccc32)C1 ZINC000104119452 173022103 /nfs/dbraw/zinc/02/21/03/173022103.db2.gz RVHNYBXFUKSZOU-LLVKDONJSA-N 0 3 242.326 2.136 10 0 BEAEHN CN1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355774 173036176 /nfs/dbraw/zinc/03/61/76/173036176.db2.gz AXPBIJQATGCDGD-CYBMUJFWSA-N 0 3 240.310 2.305 10 0 BEAEHN CN1CC[C@@H](Nc2ccc(F)cc2F)C1 ZINC000061984658 173125198 /nfs/dbraw/zinc/12/51/98/173125198.db2.gz WAACKVUESJHXJW-SECBINFHSA-N 0 3 212.243 2.081 10 0 BEAEHN CN1CC[C@@H](Nc2ccc(Cl)cc2)C1 ZINC000061984638 173125641 /nfs/dbraw/zinc/12/56/41/173125641.db2.gz LVFARQMBEKPLTC-LLVKDONJSA-N 0 3 210.708 2.456 10 0 BEAEHN CN1CC[C@@H](Nc2cccc(Cl)c2)C1 ZINC000061984634 173126460 /nfs/dbraw/zinc/12/64/60/173126460.db2.gz HKEUUDWVPNNXIJ-LLVKDONJSA-N 0 3 210.708 2.456 10 0 BEAEHN CN1CC[C@](O)(c2cccc3ccccc32)C1 ZINC000061987198 173166098 /nfs/dbraw/zinc/16/60/98/173166098.db2.gz HBMKNIIYEZHSLK-OAHLLOKOSA-N 0 3 227.307 2.363 10 0 BEAEHN CN1Cc2ccccc2[C@@](O)(c2ccccc2)C1 ZINC000026378478 173202728 /nfs/dbraw/zinc/20/27/28/173202728.db2.gz KEVNEIPRCIYVOT-INIZCTEOSA-N 0 3 239.318 2.368 10 0 BEAEHN CNC(=O)CN[C@@H](C)c1ccc2ccccc2c1 ZINC000037207590 173277912 /nfs/dbraw/zinc/27/79/12/173277912.db2.gz JKBUEZMPXWYBAF-NSHDSACASA-N 0 3 242.322 2.236 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cc(F)cc(F)c1F ZINC000061319382 173318452 /nfs/dbraw/zinc/31/84/52/173318452.db2.gz HTAUIPNTLOOWFA-UHFFFAOYSA-N 0 3 246.232 2.040 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cc(Cl)ccc1F ZINC000061300415 173318539 /nfs/dbraw/zinc/31/85/39/173318539.db2.gz AIPJAHCSWYDCMD-UHFFFAOYSA-N 0 3 244.697 2.416 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccccc1Cl ZINC000061300200 173319068 /nfs/dbraw/zinc/31/90/68/173319068.db2.gz ZCCMTKWQNVIERE-UHFFFAOYSA-N 0 3 226.707 2.277 10 0 BEAEHN CNC(C)(C)c1nc2ccccc2n1C ZINC000061149775 173320697 /nfs/dbraw/zinc/32/06/97/173320697.db2.gz GNPXQLFNGNMWEL-UHFFFAOYSA-N 0 3 203.289 2.028 10 0 BEAEHN CNC(C)(C)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000061149863 173321370 /nfs/dbraw/zinc/32/13/70/173321370.db2.gz SLQXSEHZUZWQHP-UHFFFAOYSA-N 0 3 249.314 2.035 10 0 BEAEHN CNCc1c(C)nc(CC(C)C)nc1C ZINC000054854036 173384255 /nfs/dbraw/zinc/38/42/55/173384255.db2.gz YHMVMUYOECJRDZ-UHFFFAOYSA-N 0 3 207.321 2.011 10 0 BEAEHN CNCc1c(C)cc(C)nc1N1CC[C@@H](C)C1 ZINC000051448424 173384453 /nfs/dbraw/zinc/38/44/53/173384453.db2.gz NZDQJSPRKBWKMJ-SNVBAGLBSA-N 0 3 233.359 2.264 10 0 BEAEHN CNCc1cc(C)nc(Cc2cccs2)n1 ZINC000054831009 173386375 /nfs/dbraw/zinc/38/63/75/173386375.db2.gz SFBSLDXHTOEMTD-UHFFFAOYSA-N 0 3 233.340 2.157 10 0 BEAEHN CNCc1cc(CN(C)[C@@H](C)C(C)(C)C)on1 ZINC000052504410 173386943 /nfs/dbraw/zinc/38/69/43/173386943.db2.gz KLPWEIAMPJJNBQ-JTQLQIEISA-N 0 3 239.363 2.260 10 0 BEAEHN CNCc1cc(F)ccc1N1CC[C@@H](C)C1 ZINC000040723633 173387042 /nfs/dbraw/zinc/38/70/42/173387042.db2.gz QTEVUQNQVRNLLM-SNVBAGLBSA-N 0 3 222.307 2.391 10 0 BEAEHN CNCc1ccc(-c2cncnc2)cc1F ZINC000052886642 173388379 /nfs/dbraw/zinc/38/83/79/173388379.db2.gz OWIUHENEIFHSRC-UHFFFAOYSA-N 0 3 217.247 2.002 10 0 BEAEHN CNCc1ccccc1NC(=O)[C@@H]1CC1(C)C ZINC000124376491 173390188 /nfs/dbraw/zinc/39/01/88/173390188.db2.gz KWTQFLWHQWDWFB-NSHDSACASA-N 0 3 232.327 2.391 10 0 BEAEHN CNCc1ccccc1NC(=O)c1ccoc1 ZINC000036280571 173390308 /nfs/dbraw/zinc/39/03/08/173390308.db2.gz CSPCWDVBKQVOOD-UHFFFAOYSA-N 0 3 230.267 2.251 10 0 BEAEHN CNCc1ccnc([C@@H]2CCC[C@H](C)C2)n1 ZINC000054791160 173391116 /nfs/dbraw/zinc/39/11/16/173391116.db2.gz ACFJDPRJKJCXQH-WDEREUQCSA-N 0 3 219.332 2.490 10 0 BEAEHN CNCc1cn2c(C(C)C)csc2n1 ZINC000076788389 173391854 /nfs/dbraw/zinc/39/18/54/173391854.db2.gz NGMGPUCBBFZXNS-UHFFFAOYSA-N 0 3 209.318 2.239 10 0 BEAEHN CNCc1cnc(-c2ccc(C)o2)s1 ZINC000040996921 173392378 /nfs/dbraw/zinc/39/23/78/173392378.db2.gz SXWYSQAXENAGKF-UHFFFAOYSA-N 0 3 208.286 2.431 10 0 BEAEHN CNCc1nc(C(C)C)n2ccccc12 ZINC000020263382 173395895 /nfs/dbraw/zinc/39/58/95/173395895.db2.gz INJJRRFBXHRADL-UHFFFAOYSA-N 0 3 203.289 2.177 10 0 BEAEHN CNCc1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000036877306 173397167 /nfs/dbraw/zinc/39/71/67/173397167.db2.gz BBMIGRKXJWAZOP-UHFFFAOYSA-N 0 3 223.226 2.074 10 0 BEAEHN CNCc1nc(-c2ccc(C)cc2C)c[nH]1 ZINC000036877266 173397371 /nfs/dbraw/zinc/39/73/71/173397371.db2.gz HATHNYOIRVIISX-UHFFFAOYSA-N 0 3 215.300 2.413 10 0 BEAEHN CNCc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944881 173397409 /nfs/dbraw/zinc/39/74/09/173397409.db2.gz FDMCJFSUFHFRGK-UHFFFAOYSA-N 0 3 230.315 2.245 10 0 BEAEHN CNCc1oc(Cn2cc(Cl)cn2)cc1C ZINC000052577349 173399921 /nfs/dbraw/zinc/39/99/21/173399921.db2.gz ADIVARGJFXTYDL-UHFFFAOYSA-N 0 3 239.706 2.206 10 0 BEAEHN CNCc1occc1Cn1ncc2ccccc21 ZINC000052574134 173399927 /nfs/dbraw/zinc/39/99/27/173399927.db2.gz HQKITTQLQAZPBD-UHFFFAOYSA-N 0 3 241.294 2.397 10 0 BEAEHN CN[C@@H](C)c1c(F)cccc1-n1cccn1 ZINC000034665227 173417865 /nfs/dbraw/zinc/41/78/65/173417865.db2.gz NATHHPSUOMZGLE-VIFPVBQESA-N 0 3 219.263 2.292 10 0 BEAEHN CN[C@H](c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035500333 173427978 /nfs/dbraw/zinc/42/79/78/173427978.db2.gz OZNRCOBOKPYQNR-LBPRGKRZSA-N 0 3 235.718 2.382 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000054071891 173445207 /nfs/dbraw/zinc/44/52/07/173445207.db2.gz KVTBLUJALZVBTR-SNVBAGLBSA-N 0 3 236.315 2.020 10 0 BEAEHN CN[C@H](C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507153 173448079 /nfs/dbraw/zinc/44/80/79/173448079.db2.gz KXGIIOLTYNCFOW-ZCFIWIBFSA-N 0 3 224.691 2.115 10 0 BEAEHN CN[C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1CCCO1 ZINC000035505126 173457804 /nfs/dbraw/zinc/45/78/04/173457804.db2.gz WMKTXMYSVGQWMV-NZVBXONLSA-N 0 3 247.338 2.450 10 0 BEAEHN CN[C@H](c1nc(C)cs1)C1CCOCC1 ZINC000052179422 173458995 /nfs/dbraw/zinc/45/89/95/173458995.db2.gz WVZPTDFEHLVOBS-JTQLQIEISA-N 0 3 226.345 2.139 10 0 BEAEHN COC(=O)CCCN[C@@H](C)c1ccc(C)o1 ZINC000037416992 173544379 /nfs/dbraw/zinc/54/43/79/173544379.db2.gz XRFRBBVFFOIWOW-JTQLQIEISA-N 0 3 225.288 2.192 10 0 BEAEHN COCCCOC[C@H](N)c1ccc(C)cc1C ZINC000037747226 174255234 /nfs/dbraw/zinc/25/52/34/174255234.db2.gz DSFHVRNHEUDZIT-AWEZNQCLSA-N 0 3 237.343 2.356 10 0 BEAEHN COCCN([C@H](C)c1cccc(N)c1)C1CC1 ZINC000042517321 174285295 /nfs/dbraw/zinc/28/52/95/174285295.db2.gz YIFLCUHLCOVRED-LLVKDONJSA-N 0 3 234.343 2.441 10 0 BEAEHN COCCN(C[C@H](N)c1ccc(C)cc1)C1CC1 ZINC000042518139 174297602 /nfs/dbraw/zinc/29/76/02/174297602.db2.gz OYZSGJBWPZHYNN-HNNXBMFYSA-N 0 3 248.370 2.106 10 0 BEAEHN CO[C@H](C(C)C)[C@@H](N)c1ccc(F)cc1 ZINC000082373416 174802266 /nfs/dbraw/zinc/80/22/66/174802266.db2.gz OKVKXCDBNYPMLN-NWDGAFQWSA-N 0 3 211.280 2.497 10 0 BEAEHN CO[C@H](C(C)C)[C@H](N)c1ccc(F)cc1 ZINC000082373414 174802425 /nfs/dbraw/zinc/80/24/25/174802425.db2.gz OKVKXCDBNYPMLN-VXGBXAGGSA-N 0 3 211.280 2.497 10 0 BEAEHN COc1cc(OC)c2c(c1)OC(C)(C)C[C@@H]2N ZINC000059315847 175009075 /nfs/dbraw/zinc/00/90/75/175009075.db2.gz GULJGIRKVRSGOB-VIFPVBQESA-N 0 3 237.299 2.265 10 0 BEAEHN COc1cc2c(cc1OC)[C@H](C)N[C@H](C)C2 ZINC000082785499 175025173 /nfs/dbraw/zinc/02/51/73/175025173.db2.gz PWKFIIODJAWALD-BDAKNGLRSA-N 0 3 221.300 2.299 10 0 BEAEHN COc1ccc(-c2ccncc2)cc1CN ZINC000040231728 175036394 /nfs/dbraw/zinc/03/63/94/175036394.db2.gz ABNBNMVXUYPEQJ-UHFFFAOYSA-N 0 3 214.268 2.216 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)[C@H]1CCCO1 ZINC000036822928 175080396 /nfs/dbraw/zinc/08/03/96/175080396.db2.gz AAHVLUMAVNOCJZ-CHWSQXEVSA-N 0 3 221.300 2.182 10 0 BEAEHN COc1ccc(C)cc1[C@@H](N)[C@@H]1CCCO1 ZINC000036822926 175080461 /nfs/dbraw/zinc/08/04/61/175080461.db2.gz AAHVLUMAVNOCJZ-QWHCGFSZSA-N 0 3 221.300 2.182 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)[C@H]1CCCO1 ZINC000036822927 175081946 /nfs/dbraw/zinc/08/19/46/175081946.db2.gz AAHVLUMAVNOCJZ-OLZOCXBDSA-N 0 3 221.300 2.182 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)CN(C)C1CC1 ZINC000037080995 175082217 /nfs/dbraw/zinc/08/22/17/175082217.db2.gz MCAAMWNWJUJHHJ-CYBMUJFWSA-N 0 3 234.343 2.098 10 0 BEAEHN COc1ccc(C)cc1[C@H]1CNC[C@@H](C)O1 ZINC000036986397 175082446 /nfs/dbraw/zinc/08/24/46/175082446.db2.gz NMYBQXPYFLOTIC-ZWNOBZJWSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc(C)cc1[C@H]1CNC[C@@H](C2CC2)O1 ZINC000071308785 175082464 /nfs/dbraw/zinc/08/24/64/175082464.db2.gz JSLYVZGIWCYUOP-LSDHHAIUSA-N 0 3 247.338 2.443 10 0 BEAEHN COc1ccc(CN)c(Cl)c1Cl ZINC000083158420 175097802 /nfs/dbraw/zinc/09/78/02/175097802.db2.gz KZLVYCVWVZGONT-UHFFFAOYSA-N 0 3 206.072 2.461 10 0 BEAEHN COc1ccc(Cl)cc1[C@@H](O)CCN(C)C ZINC000041146679 175121612 /nfs/dbraw/zinc/12/16/12/175121612.db2.gz RZZRHTXVFAWQIA-NSHDSACASA-N 0 3 243.734 2.334 10 0 BEAEHN COc1ccc(F)cc1CN[C@H]1C[C@H]1C ZINC000291290060 175130553 /nfs/dbraw/zinc/13/05/53/175130553.db2.gz VNFVLNUMTFVFBN-KCJUWKMLSA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(F)cc1[C@H](N)[C@H]1CCCOC1 ZINC000062230753 175134716 /nfs/dbraw/zinc/13/47/16/175134716.db2.gz KROJTLYVVPAFCR-TVQRCGJNSA-N 0 3 239.290 2.261 10 0 BEAEHN COc1ccc([C@@H](N)c2cccnc2)c(C)c1 ZINC000019972439 175180306 /nfs/dbraw/zinc/18/03/06/175180306.db2.gz JWHZPOFAOZEESF-AWEZNQCLSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1ccc([C@@H]2CNC(C)(C)CO2)cc1F ZINC000036673122 175183619 /nfs/dbraw/zinc/18/36/19/175183619.db2.gz DXHHVTXUEFGTPR-LBPRGKRZSA-N 0 3 239.290 2.274 10 0 BEAEHN COc1ccc([C@H](N)[C@@H]2CCCO2)cc1F ZINC000035424272 175191717 /nfs/dbraw/zinc/19/17/17/175191717.db2.gz KIIKSNFECOQMOC-RYUDHWBXSA-N 0 3 225.263 2.013 10 0 BEAEHN COc1ccc([C@H]2CNCC(C)(C)O2)cc1 ZINC000011803129 175196083 /nfs/dbraw/zinc/19/60/83/175196083.db2.gz KREFRNFLNQTLSP-GFCCVEGCSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccc2[nH]c3c(c2c1)CCN=C3 ZINC000013587964 175201949 /nfs/dbraw/zinc/20/19/49/175201949.db2.gz BJODVFITWMPYMU-UHFFFAOYSA-N 0 3 200.241 2.152 10 0 in-vivo BEAEHN COc1cccc(-c2nc([C@H](C)N)c[nH]2)c1 ZINC000082369119 175236052 /nfs/dbraw/zinc/23/60/52/175236052.db2.gz WITHOMNMZMJIDU-QMMMGPOBSA-N 0 3 217.272 2.105 10 0 BEAEHN COc1cccc(CC[C@H]2COC[C@@H](C)N2)c1 ZINC000071545509 175253571 /nfs/dbraw/zinc/25/35/71/175253571.db2.gz DRQQIIYYXXWLIP-YPMHNXCESA-N 0 3 235.327 2.005 10 0 BEAEHN COc1cccc(CN)c1OCc1ccncc1 ZINC000035413037 175257588 /nfs/dbraw/zinc/25/75/88/175257588.db2.gz TVACHLUQJIZTED-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1cccc([C@@H](O)[C@@H](N)c2ccccc2)c1 ZINC000054682511 175289818 /nfs/dbraw/zinc/28/98/18/175289818.db2.gz SBACAJZJLBCZAU-LSDHHAIUSA-N 0 3 243.306 2.429 10 0 BEAEHN COc1cccc([C@H](N)c2ccncc2)c1F ZINC000075871360 175295132 /nfs/dbraw/zinc/29/51/32/175295132.db2.gz CMXVNIZPZLQLAY-CYBMUJFWSA-N 0 3 232.258 2.277 10 0 BEAEHN COc1cccc([C@](C)(N)c2cccnc2)c1 ZINC000037761487 175296485 /nfs/dbraw/zinc/29/64/85/175296485.db2.gz LPONNOOKCDDMPA-AWEZNQCLSA-N 0 3 228.295 2.312 10 0 BEAEHN COc1ccccc1-n1ncc(CN)c1C(C)C ZINC000071559997 175312687 /nfs/dbraw/zinc/31/26/87/175312687.db2.gz XMLMQPYQCWEGLW-UHFFFAOYSA-N 0 3 245.326 2.463 10 0 BEAEHN COc1ccccc1/C=C\CN(C)CCN(C)C ZINC000033394644 175315580 /nfs/dbraw/zinc/31/55/80/175315580.db2.gz VCKJOTCFUKWFLI-CLFYSBASSA-N 0 3 248.370 2.202 10 0 BEAEHN COc1ccccc1CC(=O)CNC(C)(C)C ZINC000077008966 175321018 /nfs/dbraw/zinc/32/10/18/175321018.db2.gz XMWUDLTUNBNWFZ-UHFFFAOYSA-N 0 3 235.327 2.195 10 0 BEAEHN COc1ccccc1CN1CCCC[C@@H](CO)C1 ZINC000378353019 175326604 /nfs/dbraw/zinc/32/66/04/175326604.db2.gz ZSCLTOMQQWHYAU-CYBMUJFWSA-N 0 3 249.354 2.290 10 0 BEAEHN COc1ccccc1CN1CCC[C@@H](O)[C@H]1C ZINC000294930703 175326882 /nfs/dbraw/zinc/32/68/82/175326882.db2.gz GFJMSGGDEGSOQI-DGCLKSJQSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1[C@H](O)CN1CCC(C)CC1 ZINC000032104754 175354088 /nfs/dbraw/zinc/35/40/88/175354088.db2.gz NHWZREJTIFSZAJ-CQSZACIVSA-N 0 3 249.354 2.461 10 0 BEAEHN COc1ccccc1[C@H]1CNCC(C)(C)O1 ZINC000011803121 175354986 /nfs/dbraw/zinc/35/49/86/175354986.db2.gz IHUTXWDIXVHILB-GFCCVEGCSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccccc1[C@H]1CNCCS1 ZINC000041218899 175355434 /nfs/dbraw/zinc/35/54/34/175355434.db2.gz CITYJMJUDUIQRJ-LLVKDONJSA-N 0 3 209.314 2.073 10 0 BEAEHN C[C@@H](N)c1c(F)cccc1OC[C@@H]1CCCO1 ZINC000019873230 175815997 /nfs/dbraw/zinc/81/59/97/175815997.db2.gz SBNNQEFXWRHDLY-ZJUUUORDSA-N 0 3 239.290 2.403 10 0 BEAEHN C[C@@H](OC[C@@H]1CCOC1)[C@@H](N)c1ccccc1 ZINC000049689427 176003048 /nfs/dbraw/zinc/00/30/48/176003048.db2.gz UWRUGRXSBGHAIN-YRGRVCCFSA-N 0 3 235.327 2.128 10 0 BEAEHN C[C@@H](c1cccc(N)n1)N1CCCCC1 ZINC000238452479 176017582 /nfs/dbraw/zinc/01/75/82/176017582.db2.gz UIDNNDPXZAFZCK-JTQLQIEISA-N 0 3 205.305 2.211 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1CNCc1nccn1C ZINC000042862407 176077632 /nfs/dbraw/zinc/07/76/32/176077632.db2.gz DUKNSLJYPYHOGU-VXGBXAGGSA-N 0 3 221.348 2.336 10 0 BEAEHN C[C@@H]1CCCC[C@@H]1Oc1cc(CN)ccn1 ZINC000019398764 176082688 /nfs/dbraw/zinc/08/26/88/176082688.db2.gz JVKIQMWYPRUHMY-PWSUYJOCSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCC[C@H]1Oc1ncccc1CN ZINC000019280158 176090174 /nfs/dbraw/zinc/09/01/74/176090174.db2.gz LEARJVQTAZHKKP-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCCN1[C@@H](CN)c1ccc(F)cc1F ZINC000037910295 176109654 /nfs/dbraw/zinc/10/96/54/176109654.db2.gz ULCUJAXFFDEHGY-RNCFNFMXSA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)N1 ZINC000019479799 176113001 /nfs/dbraw/zinc/11/30/01/176113001.db2.gz ULIPTJZIMZIANI-OCCSQVGLSA-N 0 3 246.354 2.176 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2F)N1 ZINC000019509169 176113370 /nfs/dbraw/zinc/11/33/70/176113370.db2.gz NPZYWUWVHUZOLS-SKDRFNHKSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@](C)(N)C2CC2)C1 ZINC000042495037 176119929 /nfs/dbraw/zinc/11/99/29/176119929.db2.gz AXAMRHGNHTVROJ-MPKXVKKWSA-N 0 3 238.375 2.151 10 0 BEAEHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2)C1 ZINC000042494806 176140932 /nfs/dbraw/zinc/14/09/32/176140932.db2.gz AJKCBCMNYSOEAS-AGIUHOORSA-N 0 3 238.375 2.166 10 0 BEAEHN C[C@@H]1CCN(c2ccc(Cl)c(CN)n2)C1 ZINC000051397174 176181899 /nfs/dbraw/zinc/18/18/99/176181899.db2.gz NXAWGVXKRBNFQA-MRVPVSSYSA-N 0 3 225.723 2.040 10 0 BEAEHN C[C@@H](N)c1cnc(N2CC[C@@H](C)C2)s1 ZINC000054896475 176182295 /nfs/dbraw/zinc/18/22/95/176182295.db2.gz VJUJANIUYUBZPW-HTQZYQBOSA-N 0 3 211.334 2.009 10 0 BEAEHN C[C@@H]1CN(C)C[C@@H]1N[C@H]1CCOc2ccccc21 ZINC000358091785 176274012 /nfs/dbraw/zinc/27/40/12/176274012.db2.gz VWIROWHZCDCPTK-XBFCOCLRSA-N 0 3 246.354 2.050 10 0 BEAEHN C[C@@H]1CN(CCc2ccccc2N)CC(C)(C)O1 ZINC000052918696 176293654 /nfs/dbraw/zinc/29/36/54/176293654.db2.gz DHSFLOMWOLDDKU-GFCCVEGCSA-N 0 3 248.370 2.311 10 0 BEAEHN C[C@@H]1CNC[C@@H](c2ccc(F)c(F)c2)O1 ZINC000036673242 176328663 /nfs/dbraw/zinc/32/86/63/176328663.db2.gz FMLIRMVDZSOXDW-HQJQHLMTSA-N 0 3 213.227 2.014 10 0 BEAEHN C[C@H](C1CC1)N(C)c1ccc(Cl)c(CN)n1 ZINC000051396947 176593195 /nfs/dbraw/zinc/59/31/95/176593195.db2.gz UQXLNMOZBHLGHV-MRVPVSSYSA-N 0 3 239.750 2.428 10 0 BEAEHN C[C@H](N)c1cn2c(cccc2Br)n1 ZINC000076792310 176778190 /nfs/dbraw/zinc/77/81/90/176778190.db2.gz VLGFPESJCQZCNM-LURJTMIESA-N 0 3 240.104 2.117 10 0 BEAEHN C[C@H](O)c1ccc(OCCN(C)C)c(Cl)c1 ZINC000041289611 177017278 /nfs/dbraw/zinc/01/72/78/177017278.db2.gz JADHFBDMIJDADU-VIFPVBQESA-N 0 3 243.734 2.334 10 0 BEAEHN C[C@H](OC[C@@H]1CCOC1)[C@H](N)c1ccccc1 ZINC000049689424 177021261 /nfs/dbraw/zinc/02/12/61/177021261.db2.gz UWRUGRXSBGHAIN-SCRDCRAPSA-N 0 3 235.327 2.128 10 0 BEAEHN C[C@@H]1CC(NCc2ccco2)C[C@H](C)O1 ZINC000096033678 177065125 /nfs/dbraw/zinc/06/51/25/177065125.db2.gz YHYBEANUFDMSJO-ZACCUICWSA-N 0 3 209.289 2.325 10 0 BEAEHN C[C@H]1CCCC[C@@H]1Oc1ncccc1CN ZINC000019280156 177084328 /nfs/dbraw/zinc/08/43/28/177084328.db2.gz LEARJVQTAZHKKP-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCCC[C@@H]1Oc1ccnc(CN)c1 ZINC000051524783 177084476 /nfs/dbraw/zinc/08/44/76/177084476.db2.gz RBMSLZATAMUSSX-GWCFXTLKSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCCC[C@H]1Oc1ccnc(CN)c1 ZINC000051524786 177090772 /nfs/dbraw/zinc/09/07/72/177090772.db2.gz RBMSLZATAMUSSX-GXFFZTMASA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCCN(c2nc3ccccn3c2CN)C1 ZINC000035433966 177105335 /nfs/dbraw/zinc/10/53/35/177105335.db2.gz FMBPITMPURTXRR-NSHDSACASA-N 0 3 244.342 2.029 10 0 BEAEHN C[C@H]1CCCN1c1ncc(CN)cc1Cl ZINC000051396087 177113095 /nfs/dbraw/zinc/11/30/95/177113095.db2.gz HYHGDMKHCVRJPO-QMMMGPOBSA-N 0 3 225.723 2.182 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N2[C@H](C)CCC[C@@H]2C)N1 ZINC000034651216 177115734 /nfs/dbraw/zinc/11/57/34/177115734.db2.gz YFGLFHHNUMDIQB-NDBYEHHHSA-N 0 3 238.375 2.307 10 0 BEAEHN C[C@H]1CCC[C@H](c2ncc(CN)cn2)C1 ZINC000054855303 177139224 /nfs/dbraw/zinc/13/92/24/177139224.db2.gz IRMNLMIQENOPMT-ONGXEEELSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@H]1CCC[C@](NCc2ccccc2)(C(N)=O)C1 ZINC000037941237 177143680 /nfs/dbraw/zinc/14/36/80/177143680.db2.gz XGDBVUADWFMIDR-SWLSCSKDSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@@H]1C[C@@H](C)CCN1Cc1ccoc1CN ZINC000052510019 177167077 /nfs/dbraw/zinc/16/70/77/177167077.db2.gz BYRAVZDZCLJHLC-WDEREUQCSA-N 0 3 222.332 2.359 10 0 BEAEHN C[C@H]1CCN[C@H](C(=O)NCCC2CCCC2)C1 ZINC000126478251 177175327 /nfs/dbraw/zinc/17/53/27/177175327.db2.gz XNCYOGVNXISGAT-AAEUAGOBSA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@H]1CCN[C@H](C(=O)NCC2CCCCC2)C1 ZINC000126108362 177175606 /nfs/dbraw/zinc/17/56/06/177175606.db2.gz UZULDVZGGXHSNY-AAEUAGOBSA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@H]1CC[C@H](CN2CCC(c3cc[nH]n3)CC2)O1 ZINC000188579666 177202034 /nfs/dbraw/zinc/20/20/34/177202034.db2.gz GMJQRLGZOMEXHW-WCQYABFASA-N 0 3 249.358 2.157 10 0 BEAEHN C[C@H]1CN(CCc2ccccc2N)CC(C)(C)O1 ZINC000052918697 177254274 /nfs/dbraw/zinc/25/42/74/177254274.db2.gz DHSFLOMWOLDDKU-LBPRGKRZSA-N 0 3 248.370 2.311 10 0 BEAEHN C[C@H]1CN(C[C@H](O)c2ccccc2)CCS1 ZINC000122516929 177259746 /nfs/dbraw/zinc/25/97/46/177259746.db2.gz LQDHDQHYTSDRQJ-AAEUAGOBSA-N 0 3 237.368 2.157 10 0 BEAEHN C[C@H]1CN([C@H]2CNc3ccccc3C2)CCCO1 ZINC000061919028 177276519 /nfs/dbraw/zinc/27/65/19/177276519.db2.gz MJEGTJRZDLVVDW-GXTWGEPZSA-N 0 3 246.354 2.134 10 0 BEAEHN C[C@H](Cc1ccco1)NC1=NC[C@H](C)S1 ZINC000042592115 177281971 /nfs/dbraw/zinc/28/19/71/177281971.db2.gz AQKHSUCCMLCCJA-BDAKNGLRSA-N 0 3 224.329 2.292 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC[C@@H](C)N2)C1 ZINC000019485749 177311257 /nfs/dbraw/zinc/31/12/57/177311257.db2.gz LNLBJODJZWUGJB-XQHKEYJVSA-N 0 3 238.375 2.022 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCC[C@@H](C)N2)C1 ZINC000034689364 177312264 /nfs/dbraw/zinc/31/22/64/177312264.db2.gz LNLBJODJZWUGJB-YVECIDJPSA-N 0 3 238.375 2.022 10 0 BEAEHN C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2)CCN1C ZINC000123690730 177325295 /nfs/dbraw/zinc/32/52/95/177325295.db2.gz FBTHMODTKCNMGZ-JSGCOSHPSA-N 0 3 246.354 2.241 10 0 BEAEHN C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)C)CCN1C ZINC000123943425 177325530 /nfs/dbraw/zinc/32/55/30/177325530.db2.gz VCHGUWOUJUHHKI-RYUDHWBXSA-N 0 3 240.391 2.364 10 0 BEAEHN C[C@H]1C[C@@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000075958453 177347800 /nfs/dbraw/zinc/34/78/00/177347800.db2.gz YBAZPPUSQPOERJ-GWCFXTLKSA-N 0 3 247.342 2.278 10 0 BEAEHN C[C@H]1C[C@H](C)CN([C@@H](CN)c2ccccn2)C1 ZINC000019274127 177358148 /nfs/dbraw/zinc/35/81/48/177358148.db2.gz ZUZBGWZLYDNQII-OBJOEFQTSA-N 0 3 233.359 2.059 10 0 BEAEHN C[C@@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000280931736 177363112 /nfs/dbraw/zinc/36/31/12/177363112.db2.gz DXGGQYBLTRSNFY-YVECIDJPSA-N 0 3 249.358 2.331 10 0 BEAEHN C[C@H]1C[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC000052274757 177386370 /nfs/dbraw/zinc/38/63/70/177386370.db2.gz OAUUHIYPGBQYHF-GXSJLCMTSA-N 0 3 207.321 2.136 10 0 BEAEHN Cc1c2c(ccc1Cl)[C@@H](CN)N(C)C2 ZINC000082702171 177597510 /nfs/dbraw/zinc/59/75/10/177597510.db2.gz JFLLFWFBQNXSRA-LLVKDONJSA-N 0 3 210.708 2.094 10 0 BEAEHN CCOc1ccccc1CN1C[C@H](C)C[C@@H](O)C1 ZINC000401571644 226359626 /nfs/dbraw/zinc/35/96/26/226359626.db2.gz FLYRIEMIXZZYBR-TZMCWYRMSA-N 0 3 249.354 2.288 10 0 BEAEHN CCC[C@@H](C(=O)N1CCC[C@@H](C)CC1)N(C)C ZINC000179700031 262712351 /nfs/dbraw/zinc/71/23/51/262712351.db2.gz GSQHHVOVLJWHCE-OLZOCXBDSA-N 0 3 240.391 2.365 10 0 BEAEHN CN(Cc1cccnc1)C[C@@H]1CCC[C@H](O)C1 ZINC000383923942 487680557 /nfs/dbraw/zinc/68/05/57/487680557.db2.gz RKJQZNPOIVSSAI-OCCSQVGLSA-N 0 3 234.343 2.065 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000054076397 487683522 /nfs/dbraw/zinc/68/35/22/487683522.db2.gz ABADRQMBLOWTKL-IUCAKERBSA-N 0 3 240.734 2.125 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000308703097 487684255 /nfs/dbraw/zinc/68/42/55/487684255.db2.gz VKOLFCSKUNKSSN-NWDGAFQWSA-N 0 3 238.375 2.153 10 0 BEAEHN CCC[C@H]1C[C@H]1NC(=O)Nc1cccc(CN)c1 ZINC000233378842 487713287 /nfs/dbraw/zinc/71/32/87/487713287.db2.gz ZLRAISBCGPSHIN-WCQYABFASA-N 0 3 247.342 2.455 10 0 BEAEHN CC(C)NCC(=O)N1CCC(C(C)(C)C)CC1 ZINC000050348683 487719916 /nfs/dbraw/zinc/71/99/16/487719916.db2.gz GTCJLSVRBBZNPS-UHFFFAOYSA-N 0 3 240.391 2.269 10 0 BEAEHN CN(CCC(C)(C)C)C(=O)[C@@]1(C)CCCCN1 ZINC000399753678 487751988 /nfs/dbraw/zinc/75/19/88/487751988.db2.gz OUWSSDMTKFTCTO-CQSZACIVSA-N 0 3 240.391 2.413 10 0 BEAEHN c1cnn(C2CN(CC3CCCCC3)C2)c1 ZINC000371572391 487840465 /nfs/dbraw/zinc/84/04/65/487840465.db2.gz XSXINYQMJZVSPE-UHFFFAOYSA-N 0 3 219.332 2.320 10 0 BEAEHN CC(C)[C@@H](C)NCc1nc(Br)c[nH]1 ZINC000308136796 642406517 /nfs/dbraw/zinc/40/65/17/642406517.db2.gz OVCZLQACRIXCRH-SSDOTTSWSA-N 0 3 246.152 2.306 10 0 BEAEHN CC(C)(C)CCN[C@@H]1CCCn2ncnc21 ZINC000188082303 487890450 /nfs/dbraw/zinc/89/04/50/487890450.db2.gz RRTMWMBNBGCVFP-SNVBAGLBSA-N 0 3 222.336 2.139 10 0 BEAEHN CCC[C@H](C(=O)N(CC)CC(C)C)N(C)C ZINC000135787801 323030303 /nfs/dbraw/zinc/03/03/03/323030303.db2.gz UNGSNNPJUDUUJO-GFCCVEGCSA-N 0 3 228.380 2.221 10 0 BEAEHN Cc1ccc(CN[C@@H]2CCCC[C@H]2O)nc1C ZINC000313848046 323101095 /nfs/dbraw/zinc/10/10/95/323101095.db2.gz RRUSLHJIIOSMGB-ZIAGYGMSSA-N 0 3 234.343 2.092 10 0 BEAEHN Cc1nnc(CNC(C2CC2)C2CC2)s1 ZINC000134721843 323177606 /nfs/dbraw/zinc/17/76/06/323177606.db2.gz WLEDOYLMHOIGGI-UHFFFAOYSA-N 0 3 223.345 2.125 10 0 BEAEHN C[C@H](C1CC1)N(CC(=O)NC(C)(C)C)C1CC1 ZINC000042123190 323242599 /nfs/dbraw/zinc/24/25/99/323242599.db2.gz HUUMOIHMHPTBOW-SNVBAGLBSA-N 0 3 238.375 2.164 10 0 BEAEHN O[C@@H]1CCC[C@H]1N1CCC(C(F)(F)F)CC1 ZINC000083890163 487960646 /nfs/dbraw/zinc/96/06/46/487960646.db2.gz KSAQYXHGNLOAIF-NXEZZACHSA-N 0 3 237.265 2.174 10 0 BEAEHN CC(C)N(c1nc2c(s1)CNCC2)C(C)C ZINC000536958786 323970461 /nfs/dbraw/zinc/97/04/61/323970461.db2.gz IEZNQJMCOLJDFG-UHFFFAOYSA-N 0 3 239.388 2.412 10 0 BEAEHN C[C@@H]1CCCN(c2nc3c(s2)CNCC3)C1 ZINC000536961283 323974911 /nfs/dbraw/zinc/97/49/11/323974911.db2.gz YSOYRIDUERLSBZ-SECBINFHSA-N 0 3 237.372 2.025 10 0 BEAEHN C[C@@H](NCC1(CCO)CCC1)c1ccoc1 ZINC000130982971 325106036 /nfs/dbraw/zinc/10/60/36/325106036.db2.gz CKWRXXPGSNFDCG-LLVKDONJSA-N 0 3 223.316 2.483 10 0 BEAEHN Cc1cc(C)c(CN[C@@H]2C[C@H]2CO)c(C)c1 ZINC000309927696 326175424 /nfs/dbraw/zinc/17/54/24/326175424.db2.gz WDRREBOTFUWTHY-GXTWGEPZSA-N 0 3 219.328 2.082 10 0 BEAEHN Cc1ncc([C@@H](C)N[C@@H]2CCO[C@@H]2C)s1 ZINC000090940878 488013392 /nfs/dbraw/zinc/01/33/92/488013392.db2.gz TXHXLTMLZFNOMP-NQMVMOMDSA-N 0 3 226.345 2.280 10 0 BEAEHN CN(Cc1ccccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000310463901 488028746 /nfs/dbraw/zinc/02/87/46/488028746.db2.gz YTMUTYRLVPSWKC-GXTWGEPZSA-N 0 3 234.343 2.065 10 0 BEAEHN CCc1ccc([C@H](C)NC(=O)[C@H](C)NC)cc1 ZINC000052395685 488055292 /nfs/dbraw/zinc/05/52/92/488055292.db2.gz XPFXLFUUKITHGT-QWRGUYRKSA-N 0 3 234.343 2.034 10 0 BEAEHN CN(CCC(C)(C)C)C(=O)[C@]1(C)CCCCN1 ZINC000399753677 487542273 /nfs/dbraw/zinc/54/22/73/487542273.db2.gz OUWSSDMTKFTCTO-AWEZNQCLSA-N 0 3 240.391 2.413 10 0 BEAEHN CC(C)CCN1CCN(CCCF)CC1 ZINC000121358686 490083438 /nfs/dbraw/zinc/08/34/38/490083438.db2.gz RBKSTBADNZWCHD-UHFFFAOYSA-N 0 3 216.344 2.010 10 0 BEAEHN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1CCC[C@H](O)C1 ZINC000310527480 487743027 /nfs/dbraw/zinc/74/30/27/487743027.db2.gz PCOXFJCFORRWMG-SYQHCUMBSA-N 0 3 241.375 2.037 10 0 BEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000054073535 488205530 /nfs/dbraw/zinc/20/55/30/488205530.db2.gz YNNZCHADZHXWMJ-BQBZGAKWSA-N 0 3 246.763 2.187 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000227154899 490241543 /nfs/dbraw/zinc/24/15/43/490241543.db2.gz WLIZHOTUOYASEO-RNJOBUHISA-N 0 3 238.375 2.022 10 0 BEAEHN CC(C)C[C@H]1CCN(Cc2cncnc2)C1 ZINC000124781937 490403130 /nfs/dbraw/zinc/40/31/30/490403130.db2.gz GQNIOFUENQTYAD-GFCCVEGCSA-N 0 3 219.332 2.345 10 0 BEAEHN c1ncc(CN(CC2CC2)CC2CC2)cn1 ZINC000127608932 490550907 /nfs/dbraw/zinc/55/09/07/490550907.db2.gz OCQMVWKUSAZRQL-UHFFFAOYSA-N 0 3 217.316 2.099 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1cncc(F)c1 ZINC000300412253 490560313 /nfs/dbraw/zinc/56/03/13/490560313.db2.gz SKILEEPJFKPODK-XDTLVQLUSA-N 0 3 238.306 2.175 10 0 BEAEHN C[C@H]1CCC[C@H](C)N(Cc2cncnc2)C1 ZINC000128188950 490575078 /nfs/dbraw/zinc/57/50/78/490575078.db2.gz APGWNHIOGYGCNL-RYUDHWBXSA-N 0 3 219.332 2.487 10 0 BEAEHN CC[C@@H]1CCNC2(CC(CF)(CF)C2)O1 ZINC000757138343 582517419 /nfs/dbraw/zinc/51/74/19/582517419.db2.gz BUIFEYBHURVOHP-SECBINFHSA-N 0 3 219.275 2.190 10 0 BEAEHN CC1(C)CN[C@@]2(CCSC2)OC1(C)C ZINC000757140040 582520444 /nfs/dbraw/zinc/52/04/44/582520444.db2.gz IFQNFBWFSQCLAA-NSHDSACASA-N 0 3 215.362 2.244 10 0 BEAEHN CCC1(CC)O[C@@]2(CCN(C)C2)NCC1(C)C ZINC000757151141 582535254 /nfs/dbraw/zinc/53/52/54/582535254.db2.gz YYPBHYNUPXJCEP-CQSZACIVSA-N 0 3 240.391 2.223 10 0 BEAEHN CC1(C)C[C@@]2(CO1)NCC1(CCCC1)CO2 ZINC000757151038 582535312 /nfs/dbraw/zinc/53/53/12/582535312.db2.gz ZZSWTWHLNOUXTO-CYBMUJFWSA-N 0 3 225.332 2.062 10 0 BEAEHN CN[C@@H](C)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757152419 582536656 /nfs/dbraw/zinc/53/66/56/582536656.db2.gz LWYZXENMIFIETO-VIFPVBQESA-N 0 3 225.719 2.368 10 0 BEAEHN CCC[C@H]1CCN[C@@]2(COC(C)(C)C2)O1 ZINC000757153858 582538470 /nfs/dbraw/zinc/53/84/70/582538470.db2.gz YDKKUUNLANPEIC-CMPLNLGQSA-N 0 3 213.321 2.060 10 0 BEAEHN CC(C)(C)[C@H]1CN[C@@]2(CCSC2)OC1 ZINC000757153831 582538892 /nfs/dbraw/zinc/53/88/92/582538892.db2.gz XWRRCTZSSGLIGK-ONGXEEELSA-N 0 3 215.362 2.102 10 0 BEAEHN CN(C)[C@@H](CO)c1ccc(Cl)c(F)c1 ZINC000095532642 522034089 /nfs/dbraw/zinc/03/40/89/522034089.db2.gz MYQUDYWMZDVYEL-JTQLQIEISA-N 0 3 217.671 2.074 10 0 BEAEHN Cc1cccc(-c2noc([N-]CC[NH+](C)C)n2)c1 ZINC000057354062 524133419 /nfs/dbraw/zinc/13/34/19/524133419.db2.gz NKKBEQJBHSYZSP-UHFFFAOYSA-N 0 3 246.314 2.019 10 0 BEAEHN Cc1cccc(-c2noc(NCCN(C)C)n2)c1 ZINC000057354062 524133426 /nfs/dbraw/zinc/13/34/26/524133426.db2.gz NKKBEQJBHSYZSP-UHFFFAOYSA-N 0 3 246.314 2.019 10 0 BEAEHN Cc1nn(C(C)(C)C)cc1CNC(C)C ZINC000057354258 527581178 /nfs/dbraw/zinc/58/11/78/527581178.db2.gz NFXHBWOQSLOCFP-UHFFFAOYSA-N 0 3 209.337 2.445 10 0 BEAEHN CCOc1ccc(CN2C[C@H](C)C[C@H](O)C2)cc1 ZINC000401600015 528436065 /nfs/dbraw/zinc/43/60/65/528436065.db2.gz ZCQUQDYADNZWHL-OCCSQVGLSA-N 0 3 249.354 2.288 10 0 BEAEHN CC(C)[C@H](N)C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262593434 535050219 /nfs/dbraw/zinc/05/02/19/535050219.db2.gz VREHTBHPBFBHMP-NEPJUHHUSA-N 0 3 238.375 2.008 10 0 BEAEHN CC(C)(C)[C@@H](O)CNCc1ccc(Cl)o1 ZINC000164026743 535066474 /nfs/dbraw/zinc/06/64/74/535066474.db2.gz WAZMHYLTZFRZMR-VIFPVBQESA-N 0 3 231.723 2.430 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)CC1CCC1 ZINC000177010656 535585103 /nfs/dbraw/zinc/58/51/03/535585103.db2.gz JGISCTTWFTUARF-ZDUSSCGKSA-N 0 3 238.375 2.119 10 0 BEAEHN CO[C@@H]1COC[C@H]1N1CCC2(CCCC2)CC1 ZINC000336188773 536757724 /nfs/dbraw/zinc/75/77/24/536757724.db2.gz ALGVPAIDXYGIMC-CHWSQXEVSA-N 0 3 239.359 2.056 10 0 BEAEHN CCCCNCc1nccn1CC(F)(F)F ZINC000113311581 588831212 /nfs/dbraw/zinc/83/12/12/588831212.db2.gz IGEAIGMTWYQMRB-UHFFFAOYSA-N 0 3 235.253 2.335 10 0 BEAEHN FCC1(CF)CC2(C1)NC[C@@H]1CCC[C@H]1O2 ZINC000757139188 582519740 /nfs/dbraw/zinc/51/97/40/582519740.db2.gz FRRTVLDELLINNE-VHSXEESVSA-N 0 3 231.286 2.190 10 0 BEAEHN CC(C)[C@H]1O[C@@]2(COC(C)(C)C2)NCC12CC2 ZINC000757141159 582521672 /nfs/dbraw/zinc/52/16/72/582521672.db2.gz JJFDEMSLZHTIBY-RISCZKNCSA-N 0 3 239.359 2.306 10 0 BEAEHN c1ccc([C@H]2CCOC3(CCOCC3)N2)cc1 ZINC000757143029 582523290 /nfs/dbraw/zinc/52/32/90/582523290.db2.gz VAFZKFYRTSRKEE-CYBMUJFWSA-N 0 3 233.311 2.244 10 0 BEAEHN CC(C)[C@H]1OC2(CCOCC2)NCC1(C)C ZINC000757144331 582525101 /nfs/dbraw/zinc/52/51/01/582525101.db2.gz GKJNDRUWOYEYHO-LLVKDONJSA-N 0 3 227.348 2.164 10 0 BEAEHN CC1(C)CC2(C1)NCC[C@H](C(F)F)O2 ZINC000757146069 582529311 /nfs/dbraw/zinc/52/93/11/582529311.db2.gz QDKIQHJDROVSQR-SSDOTTSWSA-N 0 3 205.248 2.146 10 0 BEAEHN CC(C)(C)[C@H]1CN[C@@]2(COC(C)(C)C2)OC1 ZINC000757148866 582533217 /nfs/dbraw/zinc/53/32/17/582533217.db2.gz OBKPNQBZWLFAFL-GXFFZTMASA-N 0 3 227.348 2.164 10 0 BEAEHN COC[C@H]1CCO[C@]2(CCCC(C)(C)C2)N1 ZINC000757149991 582533666 /nfs/dbraw/zinc/53/36/66/582533666.db2.gz PRTBIJCYPUJGAT-YPMHNXCESA-N 0 3 227.348 2.308 10 0 BEAEHN C1CCC2(CC1)CN[C@]1(CCCOC1)OC2 ZINC000757151968 582536080 /nfs/dbraw/zinc/53/60/80/582536080.db2.gz UKUHEGYUNXKJTL-CYBMUJFWSA-N 0 3 225.332 2.063 10 0 BEAEHN CC1(C)N[C@H](Cc2ccccc2)CCO1 ZINC000757153766 582539274 /nfs/dbraw/zinc/53/92/74/582539274.db2.gz XLBODPIUWNAAGN-LBPRGKRZSA-N 0 3 205.301 2.344 10 0 BEAEHN CC(C)C(c1nn(C)cc1CN)C(C)C ZINC000757175969 582553251 /nfs/dbraw/zinc/55/32/51/582553251.db2.gz QSBLDZUEYZUUGF-UHFFFAOYSA-N 0 3 209.337 2.274 10 0 BEAEHN CCCC[C@@]1(CC)NCCc2nc[nH]c21 ZINC000400486407 582579416 /nfs/dbraw/zinc/57/94/16/582579416.db2.gz ZDDDBVRIAPPGQZ-GFCCVEGCSA-N 0 3 207.321 2.351 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1cccc(O)c1 ZINC000051991991 583162173 /nfs/dbraw/zinc/16/21/73/583162173.db2.gz WTOBAWICTHFKPD-GDLCADMTSA-N 0 3 235.327 2.346 10 0 BEAEHN C[C@H]1C[C@@H](N)[C@@](F)(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000757182467 586433420 /nfs/dbraw/zinc/43/34/20/586433420.db2.gz JIIRQWJMCSLJOP-BSTOTGJRSA-N 0 3 245.338 2.430 10 0 BEAEHN NCc1cccc(-c2ccc(C=O)o2)c1 ZINC000757568583 586462141 /nfs/dbraw/zinc/46/21/41/586462141.db2.gz NCSRDSRZXQNBSG-UHFFFAOYSA-N 0 3 201.225 2.218 10 0 BEAEHN CCCN1CCC=C(c2ccc(C(N)=O)cc2)C1 ZINC000757571589 586462761 /nfs/dbraw/zinc/46/27/61/586462761.db2.gz LMVQFCNKGYETBT-UHFFFAOYSA-N 0 3 244.338 2.285 10 0 BEAEHN C[C@@H]1CN(CCC(=O)C(C)(C)C)CCS1 ZINC000123707898 589773450 /nfs/dbraw/zinc/77/34/50/589773450.db2.gz YMJQHVIOIYFKCQ-SNVBAGLBSA-N 0 3 229.389 2.429 10 0 BEAEHN CCCCCN(CCO)Cc1ccoc1 ZINC000128103761 590893241 /nfs/dbraw/zinc/89/32/41/590893241.db2.gz RQIQHPHJGDOESE-UHFFFAOYSA-N 0 3 211.305 2.264 10 0 BEAEHN CC(C)(C)Cc1noc(-c2ccnc(CN)c2)n1 ZINC000129711673 591380303 /nfs/dbraw/zinc/38/03/03/591380303.db2.gz YZUVNQOPPBEROP-UHFFFAOYSA-N 0 3 246.314 2.179 10 0 BEAEHN O[C@@H](CN[C@H]1CCc2c1cccc2F)C1CC1 ZINC000214665278 591701916 /nfs/dbraw/zinc/70/19/16/591701916.db2.gz YHPZSABRPMSIBK-KBPBESRZSA-N 0 3 235.302 2.174 10 0 BEAEHN C[C@H]1OCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000132982762 591754454 /nfs/dbraw/zinc/75/44/54/591754454.db2.gz ZNYFBEAZWTUVOT-KCJUWKMLSA-N 0 3 226.707 2.002 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[S@@](C)=O)cc1F ZINC000133802666 591860112 /nfs/dbraw/zinc/86/01/12/591860112.db2.gz DIKLNNGRBZWHOA-HWPZZCPQSA-N 0 3 243.347 2.163 10 0 BEAEHN Cc1cc(C)n(CCCNCc2ccoc2)n1 ZINC000134282467 591911394 /nfs/dbraw/zinc/91/13/94/591911394.db2.gz QGJXJRARUOSJAJ-UHFFFAOYSA-N 0 3 233.315 2.273 10 0 BEAEHN CN(C)[C@@H]1CCN(C(=S)Nc2ccccc2)C1 ZINC000134320421 591915516 /nfs/dbraw/zinc/91/55/16/591915516.db2.gz GQVVNCJROTYTNT-GFCCVEGCSA-N 0 3 249.383 2.019 10 0 BEAEHN CC(C)(CO)N[C@H]1CCc2ccc(F)cc21 ZINC000134460359 591929260 /nfs/dbraw/zinc/92/92/60/591929260.db2.gz ZLGWCRTZWJNSRD-LBPRGKRZSA-N 0 3 223.291 2.174 10 0 BEAEHN CO[C@@H]1CCC[C@@H]1N[C@H](C)c1cncc(F)c1 ZINC000300412366 592511749 /nfs/dbraw/zinc/51/17/49/592511749.db2.gz SNDRIWOUPZTNFV-JIMOISOXSA-N 0 3 238.306 2.439 10 0 BEAEHN CC1(C)COC[C@@H]1N[C@H]1COc2ccccc21 ZINC000313020096 634439840 /nfs/dbraw/zinc/43/98/40/634439840.db2.gz ZZUSAORJZNNUNC-AAEUAGOBSA-N 0 3 233.311 2.135 10 0 BEAEHN Clc1ccc(-c2noc([C@H]3CCCN3)n2)o1 ZINC000257930412 634526720 /nfs/dbraw/zinc/52/67/20/634526720.db2.gz GZDUCRXREAMLJA-ZCFIWIBFSA-N 0 3 239.662 2.408 10 0 BEAEHN CCc1cccc(F)c1CN[C@@H](C)[C@@H](C)O ZINC000336765933 635284334 /nfs/dbraw/zinc/28/43/34/635284334.db2.gz OQAABOZPELNCQY-VHSXEESVSA-N 0 3 225.307 2.247 10 0 BEAEHN Cc1cc(NC[C@@H]2Cc3ccccc32)nc(N)n1 ZINC000108094816 635542525 /nfs/dbraw/zinc/54/25/25/635542525.db2.gz SSLBEEPSTJFBNJ-NSHDSACASA-N 0 3 240.310 2.119 10 0 BEAEHN C[C@@H](O)[C@H](C)NCc1ccc(F)cc1Cl ZINC000309058022 631832257 /nfs/dbraw/zinc/83/22/57/631832257.db2.gz VGPZHLHMPZQXRM-JGVFFNPUSA-N 0 3 231.698 2.338 10 0 BEAEHN C[C@@H](NCc1cnc[nH]1)c1ccc2c(c1)CCO2 ZINC000112344677 631883345 /nfs/dbraw/zinc/88/33/45/631883345.db2.gz FQMFQYMLIBMFLI-SNVBAGLBSA-N 0 3 243.310 2.195 10 0 BEAEHN Cl/C=C(\Cl)CN1CCN2CCCC[C@@H]2C1 ZINC000248161296 632104320 /nfs/dbraw/zinc/10/43/20/632104320.db2.gz GKJXAZVUWGYQMC-ZJRUKIMVSA-N 0 3 249.185 2.476 10 0 BEAEHN C[C@@H](O)[C@@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000309942750 632685770 /nfs/dbraw/zinc/68/57/70/632685770.db2.gz CDDWXJLZFYLSPQ-RKDXNWHRSA-N 0 3 242.388 2.300 10 0 BEAEHN CC(C)CCOCCNCc1ccoc1 ZINC000053551448 634236123 /nfs/dbraw/zinc/23/61/23/634236123.db2.gz PIXHSMFXKAKYME-UHFFFAOYSA-N 0 3 211.305 2.432 10 0 BEAEHN Cc1cc([C@H](C)N[C@H](C)[C@@H](C)O)oc1C ZINC000336756637 635282609 /nfs/dbraw/zinc/28/26/09/635282609.db2.gz IWPFZAWNWGKLRB-KXUCPTDWSA-N 0 3 211.305 2.316 10 0 BEAEHN Cl/C=C(/Cl)CN1CCN2CCCC[C@@H]2C1 ZINC000263635036 636734859 /nfs/dbraw/zinc/73/48/59/636734859.db2.gz GKJXAZVUWGYQMC-PFEDMVJOSA-N 0 3 249.185 2.476 10 0 BEAEHN Cc1cc(NCCc2ccccc2)nc(N)n1 ZINC000043531917 638522365 /nfs/dbraw/zinc/52/23/65/638522365.db2.gz AOXDCECENDPBQY-UHFFFAOYSA-N 0 3 228.299 2.022 10 0 BEAEHN CC(C)C[C@@H](N)c1nc(C(C)(C)C)nn1C ZINC000054698751 640304733 /nfs/dbraw/zinc/30/47/33/640304733.db2.gz VHYODLYUGMVTEU-SECBINFHSA-N 0 3 224.352 2.159 10 0 BEAEHN Cc1cc(NCc2cccs2)nc(N)n1 ZINC000045723881 640652799 /nfs/dbraw/zinc/65/27/99/640652799.db2.gz XPWLYYOEGSTBQQ-UHFFFAOYSA-N 0 3 220.301 2.041 10 0 BEAEHN Cc1cc(N[C@H](C)Cc2ccsc2)nc(N)n1 ZINC000060451981 640861834 /nfs/dbraw/zinc/86/18/34/640861834.db2.gz IDBWTHRBERTNMK-MRVPVSSYSA-N 0 3 248.355 2.472 10 0 BEAEHN C1CN[C@H](c2nc([C@H]3CCCCS3)no2)C1 ZINC000087700231 640978874 /nfs/dbraw/zinc/97/88/74/640978874.db2.gz CSANAKNVIQRWEK-DTWKUNHWSA-N 0 3 239.344 2.452 10 0 BEAEHN c1csc(CCNCc2ccoc2)n1 ZINC000062103847 641021621 /nfs/dbraw/zinc/02/16/21/641021621.db2.gz JYEQWEORMBBAJO-UHFFFAOYSA-N 0 3 208.286 2.068 10 0 BEAEHN Cc1cc(N(C)Cc2ccccc2F)nc(N)n1 ZINC000043532638 641565218 /nfs/dbraw/zinc/56/52/18/641565218.db2.gz PUTPTNJHAWXSKB-UHFFFAOYSA-N 0 3 246.289 2.143 10 0 BEAEHN Cc1cc(N[C@@H]2CCc3ccccc32)nc(N)n1 ZINC000043533782 641566550 /nfs/dbraw/zinc/56/65/50/641566550.db2.gz DQKILULKWBRLEF-GFCCVEGCSA-N 0 3 240.310 2.467 10 0 BEAEHN Cc1ccccc1[C@@H](O)CN(C)C[C@@H]1CCCO1 ZINC000044171109 641587422 /nfs/dbraw/zinc/58/74/22/641587422.db2.gz QASIPKFYLXKUBS-ZFWWWQNUSA-N 0 3 249.354 2.139 10 0 BEAEHN Cc1ccc([C@H](C)NCC[C@@H]2CCOC2=O)o1 ZINC000182579144 643030406 /nfs/dbraw/zinc/03/04/06/643030406.db2.gz PGUCFCBOHRUQNW-WDEREUQCSA-N 0 3 237.299 2.192 10 0 BEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccoc1 ZINC000252738533 643106900 /nfs/dbraw/zinc/10/69/00/643106900.db2.gz BVSANWJYIKVISR-OCCSQVGLSA-N 0 3 234.343 2.338 10 0 BEAEHN CC1(C)C[C@@]2(CO1)NCC1(CCCCC1)CO2 ZINC000757151979 643344128 /nfs/dbraw/zinc/34/41/28/643344128.db2.gz UMOSALUQYJYCFE-CQSZACIVSA-N 0 3 239.359 2.452 10 0 BEAEHN CCOC(=O)[C@@H]1CCCN[C@H]1c1ccsc1 ZINC000757211037 643370995 /nfs/dbraw/zinc/37/09/95/643370995.db2.gz FRMOFKRCLOPVPK-MNOVXSKESA-N 0 3 239.340 2.352 10 0 BEAEHN CCN(Cc1ccccc1)c1cc(C)nc(N)n1 ZINC000045723690 643560307 /nfs/dbraw/zinc/56/03/07/643560307.db2.gz UWIGXVCVQLOZTJ-UHFFFAOYSA-N 0 3 242.326 2.394 10 0 BEAEHN Cc1nc(CN[C@@H]2CCCC[C@@H]2O)sc1C ZINC000087375894 644492752 /nfs/dbraw/zinc/49/27/52/644492752.db2.gz KSQNVUNULMYVCV-MNOVXSKESA-N 0 3 240.372 2.153 10 0 BEAEHN CCCc1noc([C@H]2CNCc3ccccc32)n1 ZINC000087611711 644498426 /nfs/dbraw/zinc/49/84/26/644498426.db2.gz KCXAKZHDVGKKBP-LBPRGKRZSA-N 0 3 243.310 2.257 10 0 BEAEHN C[C@@H]1CCN(c2ccncc2CO)C[C@@H]1C ZINC000132073559 711954711 /nfs/dbraw/zinc/95/47/11/711954711.db2.gz YYFLYPKAHCNZBR-MNOVXSKESA-N 0 3 220.316 2.056 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cn(C)cn1 ZINC000709988428 712238142 /nfs/dbraw/zinc/23/81/42/712238142.db2.gz YXRCNGDRVYFPQC-HBNTYKKESA-N 0 3 207.321 2.259 10 0 BEAEHN CCCCNCc1cn2c(n1)CCCC2 ZINC000710183022 712247746 /nfs/dbraw/zinc/24/77/46/712247746.db2.gz PCIQIQHNJVNGIW-UHFFFAOYSA-N 0 3 207.321 2.109 10 0 BEAEHN COC1CC(NCc2cccnc2Cl)C1 ZINC000380155086 712700757 /nfs/dbraw/zinc/70/07/57/712700757.db2.gz YUIOAJNELXWLKS-UHFFFAOYSA-N 0 3 226.707 2.002 10 0 BEAEHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCCN(C)C1 ZINC000134290145 711498446 /nfs/dbraw/zinc/49/84/46/711498446.db2.gz IYTZMLJZRSCLNN-BXKDBHETSA-N 0 3 237.347 2.036 10 0 BEAEHN Cc1cnc(CN[C@H]2COCC2(C)C)c(C)c1 ZINC000724074399 711559179 /nfs/dbraw/zinc/55/91/79/711559179.db2.gz YOVRSSMPXOMXFE-ZDUSSCGKSA-N 0 3 234.343 2.213 10 0 BEAEHN CC[C@@H]1C[C@@H](NCc2ncc(C)cc2C)CO1 ZINC000724098706 711560479 /nfs/dbraw/zinc/56/04/79/711560479.db2.gz UMAPZKOACBITCS-CHWSQXEVSA-N 0 3 234.343 2.356 10 0 BEAEHN Cc1cnc(CN[C@H]2CO[C@@H](C3CC3)C2)c(C)c1 ZINC000724094892 711560545 /nfs/dbraw/zinc/56/05/45/711560545.db2.gz CQVBSEOWAMUISB-UKRRQHHQSA-N 0 3 246.354 2.356 10 0 BEAEHN CC(C)c1nn(C)cc1-c1ncc(CN)s1 ZINC000718821679 712387735 /nfs/dbraw/zinc/38/77/35/712387735.db2.gz ACDWKGYARKALBC-UHFFFAOYSA-N 0 3 236.344 2.126 10 0 BEAEHN C[C@H](N[C@H]1COc2ccccc21)[C@@H]1CCCO1 ZINC000379765558 712398084 /nfs/dbraw/zinc/39/80/84/712398084.db2.gz IHNWKWIMOKRYGR-DRZSPHRISA-N 0 3 233.311 2.277 10 0 BEAEHN COCC1CC([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000713953817 712474797 /nfs/dbraw/zinc/47/47/97/712474797.db2.gz UPXBOYMQPMCEEY-UHFFFAOYSA-N 0 3 239.290 2.046 10 0 BEAEHN COCC1CC(NCc2ccncc2Cl)C1 ZINC000713996305 712476872 /nfs/dbraw/zinc/47/68/72/712476872.db2.gz RYTYZMGZYZZHEU-UHFFFAOYSA-N 0 3 240.734 2.250 10 0 BEAEHN CCCC[C@H](C)N[C@@H](C)c1cn(C)nn1 ZINC000715841221 712532912 /nfs/dbraw/zinc/53/29/12/712532912.db2.gz HVSUKOPBLYORNP-UWVGGRQHSA-N 0 3 210.325 2.044 10 0 BEAEHN C[C@@H](N[C@@H](C)CC1CCCC1)c1cn(C)nn1 ZINC000715874238 712537968 /nfs/dbraw/zinc/53/79/68/712537968.db2.gz DWMDEXUOLXPVAD-WDEREUQCSA-N 0 3 236.363 2.435 10 0 BEAEHN COC(CN[C@@H](C)c1cccc(C)c1)OC ZINC000037473131 712644301 /nfs/dbraw/zinc/64/43/01/712644301.db2.gz YSZGBMHSTGKUJP-NSHDSACASA-N 0 3 223.316 2.265 10 0 BEAEHN C[C@H]1CCC[C@@H](N(C)CN2CCOC2=S)C1 ZINC000124599071 960746762 /nfs/dbraw/zinc/74/67/62/960746762.db2.gz BFOPEMZMJMBCAG-WDEREUQCSA-N 0 3 242.388 2.072 10 0 BEAEHN Cc1nc(C(Cl)(Cl)Cl)ncc1CN ZINC000685959206 538906752 /nfs/dbraw/zinc/90/67/52/538906752.db2.gz KSSSXZHANVVVMK-UHFFFAOYSA-N 0 3 240.521 2.070 10 0 BEAEHN C=C(OCC)c1ccc([C@@H](C)NC)nc1 ZINC000685965094 538911331 /nfs/dbraw/zinc/91/13/31/538911331.db2.gz OTOKRPBAHPSIOX-SECBINFHSA-N 0 3 206.289 2.369 10 0 BEAEHN CNC[C@H](F)Cc1cccc(Cl)c1 ZINC000257894000 349487242 /nfs/dbraw/zinc/48/72/42/349487242.db2.gz UXDHQMXBQJUAQN-SNVBAGLBSA-N 0 3 201.672 2.440 10 0 BEAEHN Cc1cc(CN[C@@H]2CCC[C@@H]2O)cs1 ZINC000294083586 178033390 /nfs/dbraw/zinc/03/33/90/178033390.db2.gz ALWJXWJGJUWCQI-MNOVXSKESA-N 0 3 211.330 2.060 10 0 BEAEHN Cc1cc(CN[C@H]2CCO[C@H]2C)cs1 ZINC000285817400 178040669 /nfs/dbraw/zinc/04/06/69/178040669.db2.gz HTYKYMDNYLVUTJ-ONGXEEELSA-N 0 3 211.330 2.324 10 0 BEAEHN N[C@@]1(c2nccs2)CCCSCC1 ZINC000575517345 398177457 /nfs/dbraw/zinc/17/74/57/398177457.db2.gz DTKKFFJCBDGMJR-VIFPVBQESA-N 0 3 214.359 2.214 10 0 BEAEHN Cc1cc(Cl)cn2cc([C@@H](C)N)nc12 ZINC000076793167 178070609 /nfs/dbraw/zinc/07/06/09/178070609.db2.gz BKEZQOVHYSSDDA-SSDOTTSWSA-N 0 3 209.680 2.316 10 0 BEAEHN CC1CCC(Cn2cc(C(C)(C)N)nn2)CC1 ZINC000380108826 398187203 /nfs/dbraw/zinc/18/72/03/398187203.db2.gz ZARJWOCSVLHWRX-UHFFFAOYSA-N 0 3 236.363 2.298 10 0 BEAEHN Cc1nn(-c2ccc(F)cc2C)c(C)c1CN ZINC000104423889 178080608 /nfs/dbraw/zinc/08/06/08/178080608.db2.gz UDBARHORJDHVBL-UHFFFAOYSA-N 0 3 233.290 2.395 10 0 BEAEHN Cc1cc(N(C)C)ccc1N[C@H]1CCN(C)C1 ZINC000061985060 178096002 /nfs/dbraw/zinc/09/60/02/178096002.db2.gz XYVMZEUJMLIHIM-LBPRGKRZSA-N 0 3 233.359 2.177 10 0 BEAEHN Cc1cc(N)ccc1N(C)C1CCN(C)CC1 ZINC000036950061 178104924 /nfs/dbraw/zinc/10/49/24/178104924.db2.gz FBIPDGBKEHXGMX-UHFFFAOYSA-N 0 3 233.359 2.108 10 0 BEAEHN Cc1cc([C@@H](C)NCCCn2ccnn2)c(C)o1 ZINC000126466903 178225293 /nfs/dbraw/zinc/22/52/93/178225293.db2.gz UGLHNPBIUBMZQV-LLVKDONJSA-N 0 3 248.330 2.229 10 0 BEAEHN NCc1cc(F)ccc1OCC(F)(F)F ZINC000037237045 361763154 /nfs/dbraw/zinc/76/31/54/361763154.db2.gz PXKNKLLTNUFMPS-UHFFFAOYSA-N 0 3 223.169 2.226 10 0 BEAEHN COC(=O)CCCNCc1ccc(Cl)cc1 ZINC000037249880 361787140 /nfs/dbraw/zinc/78/71/40/361787140.db2.gz BYVGMKBVDILTJU-UHFFFAOYSA-N 0 3 241.718 2.383 10 0 BEAEHN Cc1cc([C@H]2CNC[C@@H](C)O2)ccc1F ZINC000071511631 178269093 /nfs/dbraw/zinc/26/90/93/178269093.db2.gz BCCVFHCMWPWVCT-BXKDBHETSA-N 0 3 209.264 2.184 10 0 BEAEHN Cc1cc2ncc([C@H](C)N[C@@H]3C[C@@H]3C)c(C)n2n1 ZINC000052272212 178303936 /nfs/dbraw/zinc/30/39/36/178303936.db2.gz ADFDGYDYQJDGJJ-GMOODISLSA-N 0 3 244.342 2.405 10 0 BEAEHN Cc1cc2ncc([C@H](C)N[C@@H]3C[C@H]3C)c(C)n2n1 ZINC000249800827 178303981 /nfs/dbraw/zinc/30/39/81/178303981.db2.gz ADFDGYDYQJDGJJ-DFAYQTQMSA-N 0 3 244.342 2.405 10 0 BEAEHN Cc1ccc(-c2c[nH]c([C@@H](C)N)n2)s1 ZINC000036872135 178317364 /nfs/dbraw/zinc/31/73/64/178317364.db2.gz RCAIBIZDCJZOJQ-SSDOTTSWSA-N 0 3 207.302 2.466 10 0 BEAEHN Cc1nc(CN)[nH]c1-c1ccc(C)cc1 ZINC000036870958 178334515 /nfs/dbraw/zinc/33/45/15/178334515.db2.gz UQGDDYBREKRDBN-UHFFFAOYSA-N 0 3 201.273 2.152 10 0 BEAEHN COC(=O)c1csc(CN[C@@H]2C[C@@H]2C)c1 ZINC000602538831 349604665 /nfs/dbraw/zinc/60/46/65/349604665.db2.gz COSBMMKXVXBKII-OIBJUYFYSA-N 0 3 225.313 2.033 10 0 BEAEHN Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1 ZINC000083372510 398278238 /nfs/dbraw/zinc/27/82/38/398278238.db2.gz QVGZQHBGPGWPHG-UHFFFAOYSA-N 0 3 244.260 2.423 10 0 BEAEHN CCc1ccc(-c2cc(N)nc(N)c2)cc1 ZINC000146230338 342768059 /nfs/dbraw/zinc/76/80/59/342768059.db2.gz MIFMREOWZGRROJ-UHFFFAOYSA-N 0 3 213.284 2.475 10 0 BEAEHN Cc1[nH]c(N)nc1-c1ccc(C(F)F)nc1 ZINC000148071108 342786834 /nfs/dbraw/zinc/78/68/34/342786834.db2.gz AQOMBFSBXXIXOI-UHFFFAOYSA-N 0 3 224.214 2.300 10 0 BEAEHN C[C@H]1c2ccccc2C[C@@H]1N1CCOCC1 ZINC000150153942 342797676 /nfs/dbraw/zinc/79/76/76/342797676.db2.gz KPJZLIJJCUHHGC-FZMZJTMJSA-N 0 3 217.312 2.047 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cc(C)ccc1Cl ZINC000232211607 342799170 /nfs/dbraw/zinc/79/91/70/342799170.db2.gz ZOBGAAAKLVDYOS-MRVPVSSYSA-N 0 3 226.707 2.195 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(C)C2)o1 ZINC000040671995 538972911 /nfs/dbraw/zinc/97/29/11/538972911.db2.gz WHWCZUQIGAHLJN-VXGBXAGGSA-N 0 3 222.332 2.333 10 0 BEAEHN CN1CCC=C[C@H]1C[C@@H](O)c1ccccc1 ZINC000138415801 342839278 /nfs/dbraw/zinc/83/92/78/342839278.db2.gz GWPTZCOGIWPPRH-UONOGXRCSA-N 0 3 217.312 2.370 10 0 BEAEHN C[C@H]1C[C@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000192547768 538995591 /nfs/dbraw/zinc/99/55/91/538995591.db2.gz CSBNUAKHAAXIRB-WCBMZHEXSA-N 0 3 248.351 2.098 10 0 BEAEHN Cc1ccsc1C(=O)C[C@H]1CSCCN1 ZINC000226587934 342843306 /nfs/dbraw/zinc/84/33/06/342843306.db2.gz RXQLRRCYGBSEGW-VIFPVBQESA-N 0 3 241.381 2.334 10 0 BEAEHN C[C@@H](CCNCc1ccc(Cl)o1)[S@@](C)=O ZINC000132555324 398306574 /nfs/dbraw/zinc/30/65/74/398306574.db2.gz GELIQLGGVLODBO-AYVTZFPOSA-N 0 3 249.763 2.180 10 0 BEAEHN CCn1c(C)nnc1CN[C@@H]1CCCC[C@H]1C ZINC000162351674 349653326 /nfs/dbraw/zinc/65/33/26/349653326.db2.gz QLVZRKKPHBFAPF-ZYHUDNBSSA-N 0 3 236.363 2.275 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092910 398335973 /nfs/dbraw/zinc/33/59/73/398335973.db2.gz YHQXDCWXLZGVMJ-GZMMTYOYSA-N 0 3 240.734 2.255 10 0 BEAEHN C[C@@H](N)c1cnc(-c2ccccn2)s1 ZINC000011760733 398338269 /nfs/dbraw/zinc/33/82/69/398338269.db2.gz KUKAKSPTAZEROC-SSDOTTSWSA-N 0 3 205.286 2.225 10 0 BEAEHN C[C@H](N)c1ccc(-c2cnn(C)c2)cc1F ZINC000142105228 398343756 /nfs/dbraw/zinc/34/37/56/398343756.db2.gz UTMUBOCMTDZOJA-QMMMGPOBSA-N 0 3 219.263 2.246 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccccc1 ZINC000019424394 343073052 /nfs/dbraw/zinc/07/30/52/343073052.db2.gz NYJBZGDIBRHACS-NTZNESFSSA-N 0 3 234.343 2.237 10 0 BEAEHN Nc1ccc2cc(CN3CCCC3)cnc2c1 ZINC000139719259 343066971 /nfs/dbraw/zinc/06/69/71/343066971.db2.gz KWGYVDVOBSJZMR-UHFFFAOYSA-N 0 3 227.311 2.413 10 0 BEAEHN CC1(C)CCC2(CC1)NCCc1nc[nH]c12 ZINC000400515010 343078972 /nfs/dbraw/zinc/07/89/72/343078972.db2.gz VHLJMELUPZNHJO-UHFFFAOYSA-N 0 3 219.332 2.351 10 0 BEAEHN CC(C)c1nc2c(ccc(F)c2CN)[nH]1 ZINC000584882021 343083303 /nfs/dbraw/zinc/08/33/03/343083303.db2.gz XRNPVBHSSRQOJM-UHFFFAOYSA-N 0 3 207.252 2.284 10 0 BEAEHN CNc1c(N)cnc2ccc(C3CC3)cc21 ZINC000584882129 343084216 /nfs/dbraw/zinc/08/42/16/343084216.db2.gz ODIBBFHIWRFOOJ-UHFFFAOYSA-N 0 3 213.284 2.158 10 0 BEAEHN CCNc1c(N)cnc2c(C)c(C)ccc21 ZINC000584882768 343085346 /nfs/dbraw/zinc/08/53/46/343085346.db2.gz QEZUBPOGNGOJTM-UHFFFAOYSA-N 0 3 215.300 2.288 10 0 BEAEHN CCCc1cccc2c1ncc(N)c2NC ZINC000584882757 343085381 /nfs/dbraw/zinc/08/53/81/343085381.db2.gz PNFMNHFOAKKORA-UHFFFAOYSA-N 0 3 215.300 2.233 10 0 BEAEHN Nc1nc2c(cc1-c1ccc(F)cc1)CCCN2 ZINC000584883361 343086195 /nfs/dbraw/zinc/08/61/95/343086195.db2.gz QXXJOIIKIGNERF-UHFFFAOYSA-N 0 3 243.285 2.175 10 0 BEAEHN CCOC(=O)C(C)(C)[C@@H](N)c1ccccc1F ZINC000142142013 343105215 /nfs/dbraw/zinc/10/52/15/343105215.db2.gz SUGMUMZTIYEMGM-NSHDSACASA-N 0 3 239.290 2.415 10 0 BEAEHN COC[C@@H](N)c1ccc(OC(F)(F)F)cc1 ZINC000020262396 343140249 /nfs/dbraw/zinc/14/02/49/343140249.db2.gz WLMBKVSXSGKGKY-SECBINFHSA-N 0 3 235.205 2.231 10 0 BEAEHN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)C(N)=O ZINC000035138726 343286380 /nfs/dbraw/zinc/28/63/80/343286380.db2.gz KYZODSVXKZPITE-WDEREUQCSA-N 0 3 242.322 2.364 10 0 BEAEHN COc1cccc(CN[C@@H](C)C(C)C)n1 ZINC000069637538 343287601 /nfs/dbraw/zinc/28/76/01/343287601.db2.gz HMDJKTBUQYXOMT-JTQLQIEISA-N 0 3 208.305 2.224 10 0 BEAEHN COC(=O)CCN[C@@H](C)c1ccccc1C ZINC000036803952 343324262 /nfs/dbraw/zinc/32/42/62/343324262.db2.gz ZWISPTWTKSPDJO-NSHDSACASA-N 0 3 221.300 2.209 10 0 BEAEHN COC[C@H](NCC1(CCO)CC1)c1ccccc1 ZINC000234734849 536874333 /nfs/dbraw/zinc/87/43/33/536874333.db2.gz RSNZSKBNKNNLJX-AWEZNQCLSA-N 0 3 249.354 2.126 10 0 BEAEHN C[C@H](CN1CCN(C)CC1(C)C)C(F)(F)F ZINC000335643481 136303720 /nfs/dbraw/zinc/30/37/20/136303720.db2.gz FZYLWDMXOKAXSB-SECBINFHSA-N 0 3 238.297 2.211 10 0 BEAEHN CN1CCC(Nc2ncnc3ccccc32)CC1 ZINC000037488392 343347344 /nfs/dbraw/zinc/34/73/44/343347344.db2.gz YSTDTRPIYRWUNZ-UHFFFAOYSA-N 0 3 242.326 2.136 10 0 BEAEHN CC(=O)Nc1c(C)cccc1CN(C)C ZINC000039105549 343384988 /nfs/dbraw/zinc/38/49/88/343384988.db2.gz AMLDHETTWFICPU-UHFFFAOYSA-N 0 3 206.289 2.015 10 0 BEAEHN CO[C@H]1CCN[C@H](c2ccc(F)cc2)C1 ZINC000201869845 343391733 /nfs/dbraw/zinc/39/17/33/343391733.db2.gz YPGXFZXEZBGZLM-RYUDHWBXSA-N 0 3 209.264 2.265 10 0 BEAEHN C[C@H](CCCC(F)(F)F)NC1COC1 ZINC000166686481 136362734 /nfs/dbraw/zinc/36/27/34/136362734.db2.gz YTKUHAZKTHOITA-SSDOTTSWSA-N 0 3 211.227 2.096 10 0 BEAEHN Nc1ccc2nc(CCc3cccnc3)[nH]c2c1 ZINC000044556814 343507020 /nfs/dbraw/zinc/50/70/20/343507020.db2.gz HQXIQGBGHBUYSF-UHFFFAOYSA-N 0 3 238.294 2.325 10 0 BEAEHN CNc1cccc([C@@H]2CN(C)CCCO2)c1 ZINC000616650881 343530930 /nfs/dbraw/zinc/53/09/30/343530930.db2.gz IBPCBFHEDNYVSX-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CCn1nc(CNC(C)C)c(-c2ccccc2)n1 ZINC000045944854 343536051 /nfs/dbraw/zinc/53/60/51/343536051.db2.gz WWEUNRWFOXXFIB-UHFFFAOYSA-N 0 3 244.342 2.463 10 0 BEAEHN CNCc1ccc(C(=O)OC)cc1C(F)(F)F ZINC000168850948 343620444 /nfs/dbraw/zinc/62/04/44/343620444.db2.gz WSDYBSPVOKSYIE-UHFFFAOYSA-N 0 3 247.216 2.211 10 0 BEAEHN CC[C@]1(COC)NCCc2ccsc21 ZINC000712545337 537792501 /nfs/dbraw/zinc/79/25/01/537792501.db2.gz NLXKSZZPDWBRFD-LLVKDONJSA-N 0 3 211.330 2.146 10 0 BEAEHN CO[C@@H](C)[C@@]1(C)NCCc2ccsc21 ZINC000712553277 537792511 /nfs/dbraw/zinc/79/25/11/537792511.db2.gz QNGKNLHYZHEMHY-GZMMTYOYSA-N 0 3 211.330 2.144 10 0 BEAEHN CC[C@H]1C[C@@]2(CO1)NCCc1ccsc12 ZINC000712522518 537790279 /nfs/dbraw/zinc/79/02/79/537790279.db2.gz KBFUDUANZCTCLQ-JQWIXIFHSA-N 0 3 223.341 2.288 10 0 BEAEHN Cc1ccc(CN)c(N2CC[C@H](C)C2)c1 ZINC000051579225 178562020 /nfs/dbraw/zinc/56/20/20/178562020.db2.gz JGQPUPVUXOZYIC-NSHDSACASA-N 0 3 204.317 2.300 10 0 BEAEHN OCCN1CC[C@H](c2cnc3ccccc3c2)C1 ZINC000616613414 349825186 /nfs/dbraw/zinc/82/51/86/349825186.db2.gz ISVMZSYCCINIHE-ZDUSSCGKSA-N 0 3 242.322 2.016 10 0 BEAEHN CCCOc1cccc2c1OC(C)C2=O ZINC000043633228 343631943 /nfs/dbraw/zinc/63/19/43/343631943.db2.gz WXMNQZILZDEPNC-QMMMGPOBSA-N 0 3 206.241 2.439 10 0 BEAEHN C[C@@H]1CN(C)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000199779748 343705797 /nfs/dbraw/zinc/70/57/97/343705797.db2.gz WFNALLOMRMDNSP-ZWNOBZJWSA-N 0 3 239.746 2.499 10 0 BEAEHN CCCN[C@H](C)c1cn(C(C)(C)C)nn1 ZINC000309117260 346967945 /nfs/dbraw/zinc/96/79/45/346967945.db2.gz RLMXHHXJVINQQG-SECBINFHSA-N 0 3 210.325 2.094 10 0 BEAEHN CNc1cc(NCc2ccccc2)nc(C)n1 ZINC000128357273 343787841 /nfs/dbraw/zinc/78/78/41/343787841.db2.gz WYPIYCDLWFWJTB-UHFFFAOYSA-N 0 3 228.299 2.439 10 0 BEAEHN Cc1nc(N)cc(N2[C@H](C)CCC[C@@H]2C)n1 ZINC000409431363 343823080 /nfs/dbraw/zinc/82/30/80/343823080.db2.gz POUITQNBOMVVCO-DTORHVGOSA-N 0 3 220.320 2.135 10 0 BEAEHN NCc1cc(CCCc2ccccc2)ncn1 ZINC000409436519 343837927 /nfs/dbraw/zinc/83/79/27/343837927.db2.gz DSCJBENCFHHXPH-UHFFFAOYSA-N 0 3 227.311 2.111 10 0 BEAEHN CC(C)c1[nH]nc(C(F)(F)F)c1CN ZINC000409442052 343856938 /nfs/dbraw/zinc/85/69/38/343856938.db2.gz WFYUCUGRHLPTTK-UHFFFAOYSA-N 0 3 207.199 2.011 10 0 BEAEHN CCc1[nH]nc(C2CCCC2)c1CNC ZINC000409437938 343849401 /nfs/dbraw/zinc/84/94/01/343849401.db2.gz BEACTPZFKQJKPS-UHFFFAOYSA-N 0 3 207.321 2.349 10 0 BEAEHN NCc1cc(-c2ccccc2)nc(C2CC2)n1 ZINC000575622132 343868919 /nfs/dbraw/zinc/86/89/19/343868919.db2.gz GQXWETXHXWCEEP-UHFFFAOYSA-N 0 3 225.295 2.480 10 0 BEAEHN NCc1cnn(C/C=C/c2ccccc2)c1 ZINC000575623231 343875540 /nfs/dbraw/zinc/87/55/40/343875540.db2.gz ANLPROSYUHSAMO-QPJJXVBHSA-N 0 3 213.284 2.055 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000634736859 344133288 /nfs/dbraw/zinc/13/32/88/344133288.db2.gz CBYAVPNPVRAOAN-NXEZZACHSA-N 0 3 248.317 2.008 10 0 BEAEHN NC[C@H](F)[C@H]1CCOC2(CCCC2)C1 ZINC000158071478 344396485 /nfs/dbraw/zinc/39/64/85/344396485.db2.gz DCIYNAVMZCJZSA-UWVGGRQHSA-N 0 3 201.285 2.023 10 0 BEAEHN CC1(C)CCCN1CC(=O)Nc1ccccc1 ZINC000102930748 344440762 /nfs/dbraw/zinc/44/07/62/344440762.db2.gz VVISYNBWMHCHQD-UHFFFAOYSA-N 0 3 232.327 2.500 10 0 BEAEHN c1c[nH]c([C@H]2CCCCN2CC2CCOCC2)n1 ZINC000152034672 344475915 /nfs/dbraw/zinc/47/59/15/344475915.db2.gz NXAIPKHPTZIKLO-CYBMUJFWSA-N 0 3 249.358 2.363 10 0 BEAEHN N[C@H](CCO)c1ccc(C(F)(F)F)c(F)c1 ZINC000044233313 344536418 /nfs/dbraw/zinc/53/64/18/344536418.db2.gz IYNLFXHJQWYZOH-SECBINFHSA-N 0 3 237.196 2.227 10 0 BEAEHN Cc1nc(C[C@@]2(F)CCCNC2)cs1 ZINC000158090920 344541310 /nfs/dbraw/zinc/54/13/10/344541310.db2.gz UGOCPQYMXIRDQP-JTQLQIEISA-N 0 3 214.309 2.086 10 0 BEAEHN C[C@@H]1C[C@H]1N[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000330268354 537847903 /nfs/dbraw/zinc/84/79/03/537847903.db2.gz RCVJWXRCFCWNFE-YUSALJHKSA-N 0 3 234.347 2.424 10 0 BEAEHN CC(=O)CCN(C)Cc1ccccc1C ZINC000047979728 344581333 /nfs/dbraw/zinc/58/13/33/344581333.db2.gz NYXQJNNYOIVJOK-UHFFFAOYSA-N 0 3 205.301 2.406 10 0 BEAEHN C[C@@H]1CCC[C@H](n2cnc(CN)c2)[C@H]1C ZINC000300720928 537853565 /nfs/dbraw/zinc/85/35/65/537853565.db2.gz CKWOTZLRTMXXQP-SCVCMEIPSA-N 0 3 207.321 2.339 10 0 BEAEHN C[C@@H]1CCC[C@@H](n2cnc(CN)c2)[C@@H]1C ZINC000300720923 537853384 /nfs/dbraw/zinc/85/33/84/537853384.db2.gz CKWOTZLRTMXXQP-CKYFFXLPSA-N 0 3 207.321 2.339 10 0 BEAEHN C[C@@H]1CCC[C@H]([C@@H]2NCCc3nc[nH]c32)C1 ZINC000400389291 537854418 /nfs/dbraw/zinc/85/44/18/537854418.db2.gz JURBAHRKGDTISC-SCVCMEIPSA-N 0 3 219.332 2.423 10 0 BEAEHN CC(C)[C@](F)(CN)c1cncc(F)c1 ZINC000158391608 344639597 /nfs/dbraw/zinc/63/95/97/344639597.db2.gz SFOVMFLIBVAEER-SNVBAGLBSA-N 0 3 200.232 2.000 10 0 BEAEHN CCOC(=O)C[C@H](N)c1ccc(F)cc1C ZINC000050568793 344711872 /nfs/dbraw/zinc/71/18/72/344711872.db2.gz TVRRLBXSOWJART-NSHDSACASA-N 0 3 225.263 2.087 10 0 BEAEHN C[C@H](CC(F)(F)F)NC1=NCCCS1 ZINC000235443540 344916331 /nfs/dbraw/zinc/91/63/31/344916331.db2.gz RBVAYQMUCAGNCA-ZCFIWIBFSA-N 0 3 226.267 2.410 10 0 BEAEHN N[C@@H](CCO)c1c(F)cc(Cl)cc1F ZINC000044235617 344987213 /nfs/dbraw/zinc/98/72/13/344987213.db2.gz MSXSLNRMZFSKNK-QMMMGPOBSA-N 0 3 221.634 2.000 10 0 BEAEHN N[C@H](CCO)c1cc(C(F)(F)F)ccc1F ZINC000044233036 344988352 /nfs/dbraw/zinc/98/83/52/344988352.db2.gz DYDIKPRGOWETNN-SECBINFHSA-N 0 3 237.196 2.227 10 0 BEAEHN N[C@@H](CCO)c1ccccc1C(F)(F)F ZINC000044232193 344988627 /nfs/dbraw/zinc/98/86/27/344988627.db2.gz SZDSETNDCNRZBB-VIFPVBQESA-N 0 3 219.206 2.088 10 0 BEAEHN Cc1ccc(Cl)c([C@H](N)CCO)c1F ZINC000044233457 344988960 /nfs/dbraw/zinc/98/89/60/344988960.db2.gz DRDMBMKKHYQRNE-MRVPVSSYSA-N 0 3 217.671 2.170 10 0 BEAEHN Brc1ccc([C@H]2CCN2)o1 ZINC000044257477 344996761 /nfs/dbraw/zinc/99/67/61/344996761.db2.gz PGFVFTGJTUZWMS-RXMQYKEDSA-N 0 3 202.051 2.077 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)Cc1cncs1 ZINC000123379289 344997727 /nfs/dbraw/zinc/99/77/27/344997727.db2.gz VIUCMTZGWPXJNO-LLVKDONJSA-N 0 3 239.388 2.059 10 0 BEAEHN COc1cc([C@H](N)CF)cc(Cl)c1O ZINC000238424760 345046578 /nfs/dbraw/zinc/04/65/78/345046578.db2.gz ITJRVYVIALYEMG-SSDOTTSWSA-N 0 3 219.643 2.024 10 0 BEAEHN Cc1cc(CNCCc2ccccc2)on1 ZINC000044300910 345015314 /nfs/dbraw/zinc/01/53/14/345015314.db2.gz ONNRLRAVRKFBQK-UHFFFAOYSA-N 0 3 216.284 2.315 10 0 BEAEHN CC(=O)Nc1ccc2c(c1)OC(C)(C)C[C@@H]2N ZINC000011848994 345033862 /nfs/dbraw/zinc/03/38/62/345033862.db2.gz ZWTJPCCFUNGMQI-NSHDSACASA-N 0 3 234.299 2.206 10 0 BEAEHN C[C@H]1C[C@H]1NCc1nn(C)c2ccccc12 ZINC000082432806 345060589 /nfs/dbraw/zinc/06/05/89/345060589.db2.gz KZDFSZQRCXODTG-GXSJLCMTSA-N 0 3 215.300 2.071 10 0 BEAEHN NCc1cc(OC(F)(F)F)cnc1Cl ZINC000238675351 345106889 /nfs/dbraw/zinc/10/68/89/345106889.db2.gz WXJPQLQGXYFRBD-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN C(CN1CCO[C@H]2CCCC[C@@H]21)[C@@H]1CCCO1 ZINC000188781100 259382894 /nfs/dbraw/zinc/38/28/94/259382894.db2.gz CKQZXRSNMMWANF-IHRRRGAJSA-N 0 3 239.359 2.199 10 0 BEAEHN Cc1ccc2c(ccc(F)c2N2CCNCC2)n1 ZINC000167261657 345251138 /nfs/dbraw/zinc/25/11/38/345251138.db2.gz YQAWQPMXJGUDFU-UHFFFAOYSA-N 0 3 245.301 2.092 10 0 BEAEHN Cc1ccc([C@@H](N)[C@H]2CCCO2)c(C)c1 ZINC000019971378 178858795 /nfs/dbraw/zinc/85/87/95/178858795.db2.gz URAUUURPAMIQDF-CHWSQXEVSA-N 0 3 205.301 2.482 10 0 BEAEHN C[C@@H]1Oc2cc(Br)c(F)cc2[C@@H]1N ZINC000137656264 345669331 /nfs/dbraw/zinc/66/93/31/345669331.db2.gz HWDIASYDIKRVTK-AJAUBTJJSA-N 0 3 246.079 2.369 10 0 BEAEHN c1ccc2c(c1)CC[C@@H](CN1CCOCC1)C2 ZINC000218910748 345744812 /nfs/dbraw/zinc/74/48/12/345744812.db2.gz VMYRIMCARBJRFR-CYBMUJFWSA-N 0 3 231.339 2.124 10 0 BEAEHN Clc1cccc2ccnc(N3CCNCC3)c12 ZINC000082766303 345726891 /nfs/dbraw/zinc/72/68/91/345726891.db2.gz MIOKJOZKEAKZIE-UHFFFAOYSA-N 0 3 247.729 2.298 10 0 BEAEHN C=Cn1c(CO)cc2c1[C@H](C)CN(C)[C@H]2C ZINC000257354045 345774419 /nfs/dbraw/zinc/77/44/19/345774419.db2.gz VJWGFAWQJOZHCK-ZJUUUORDSA-N 0 3 220.316 2.191 10 0 BEAEHN C[C@H]1CCn2cc([C@@H]3CCCCN3)nc2C1 ZINC000258142958 345780152 /nfs/dbraw/zinc/78/01/52/345780152.db2.gz DDPRCFAYPXNLIP-QWRGUYRKSA-N 0 3 219.332 2.280 10 0 BEAEHN C[C@@H]1CCc2nc([C@@H]3CCCCN3)cn2C1 ZINC000258487925 345784488 /nfs/dbraw/zinc/78/44/88/345784488.db2.gz QUCSTXBJJMZJDV-MNOVXSKESA-N 0 3 219.332 2.280 10 0 BEAEHN CN(C)CCOc1cccc2[nH]ccc21 ZINC000168749624 345822148 /nfs/dbraw/zinc/82/21/48/345822148.db2.gz YSRPCFRYXCITGL-UHFFFAOYSA-N 0 3 204.273 2.108 10 0 BEAEHN C[C@@H]1Oc2cc(F)c(Br)cc2[C@H]1N ZINC000148400891 346087612 /nfs/dbraw/zinc/08/76/12/346087612.db2.gz FPSKEIWZXGUYPV-IGJIYHIXSA-N 0 3 246.079 2.369 10 0 BEAEHN NCC1(c2cccc(Cl)c2Cl)OCCO1 ZINC000236173906 346204940 /nfs/dbraw/zinc/20/49/40/346204940.db2.gz LZBPSFCZOPLORF-UHFFFAOYSA-N 0 3 248.109 2.152 10 0 BEAEHN Cc1cccc(=O)n1CCNCc1cccs1 ZINC000053534055 179003286 /nfs/dbraw/zinc/00/32/86/179003286.db2.gz BYBWSQMMFPXSKC-UHFFFAOYSA-N 0 3 248.351 2.008 10 0 BEAEHN N[C@H](CC1OCCO1)c1ccc(Cl)s1 ZINC000236317186 346224914 /nfs/dbraw/zinc/22/49/14/346224914.db2.gz IRRLSCTYFGCXPV-ZCFIWIBFSA-N 0 3 233.720 2.164 10 0 BEAEHN N[C@@H](CC1OCCO1)c1ccc(Cl)cc1F ZINC000236303255 346225574 /nfs/dbraw/zinc/22/55/74/346225574.db2.gz CBZUIZJOHKEKFK-JTQLQIEISA-N 0 3 245.681 2.242 10 0 BEAEHN Cc1cccc(C)c1NC(=O)[C@H](N)C(C)C ZINC000028636544 179042646 /nfs/dbraw/zinc/04/26/46/179042646.db2.gz PBFGPILOIKNDPQ-LLVKDONJSA-N 0 3 220.316 2.225 10 0 BEAEHN OCCC[C@H]1CCCN1Cc1ccco1 ZINC000052761997 346373237 /nfs/dbraw/zinc/37/32/37/346373237.db2.gz FUIPJLAPXUKRHH-LLVKDONJSA-N 0 3 209.289 2.017 10 0 BEAEHN C[C@](F)(CN)Cc1cccc(F)c1F ZINC000158254816 346391792 /nfs/dbraw/zinc/39/17/92/346391792.db2.gz RVTWKBVTFOBHDJ-SNVBAGLBSA-N 0 3 203.207 2.194 10 0 BEAEHN Cc1ncc([C@H](C)N[C@H]2CCCC[C@H]2O)s1 ZINC000252725395 537980454 /nfs/dbraw/zinc/98/04/54/537980454.db2.gz DBXKTMQCMPZWAZ-INTQDDNPSA-N 0 3 240.372 2.406 10 0 BEAEHN CC1(C)CCCN1CC(=O)N1CCCCCC1 ZINC000102930813 346514046 /nfs/dbraw/zinc/51/40/46/346514046.db2.gz CJQQPOHISDSYPC-UHFFFAOYSA-N 0 3 238.375 2.263 10 0 BEAEHN O=C1CCC2(CC1)NCCc1sccc12 ZINC000725242216 537984502 /nfs/dbraw/zinc/98/45/02/537984502.db2.gz MIBDECFHTQMKFF-UHFFFAOYSA-N 0 3 221.325 2.232 10 0 BEAEHN Cc1ncsc1[C@H](N)Cc1ccco1 ZINC000164878423 346630541 /nfs/dbraw/zinc/63/05/41/346630541.db2.gz PMMORIRJDDGDRP-SECBINFHSA-N 0 3 208.286 2.287 10 0 BEAEHN Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)N2)c1 ZINC000019488083 179139340 /nfs/dbraw/zinc/13/93/40/179139340.db2.gz ARBOOHRKBAEREK-YPMHNXCESA-N 0 3 232.327 2.464 10 0 BEAEHN Cc1cccc(NC(=O)[C@@](C)(N)C2CC2)c1C ZINC000037614345 179140646 /nfs/dbraw/zinc/14/06/46/179140646.db2.gz GACBXZOXPQUTFV-AWEZNQCLSA-N 0 3 232.327 2.369 10 0 BEAEHN CCC[C@@H](C)[C@@H]1NCCc2ncn(C)c21 ZINC000725242752 537985601 /nfs/dbraw/zinc/98/56/01/537985601.db2.gz QAWMGLHVVCDMLS-KOLCDFICSA-N 0 3 207.321 2.043 10 0 BEAEHN Cc1cccc([C@@H](C)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000133044804 179183190 /nfs/dbraw/zinc/18/31/90/179183190.db2.gz XYKUUYKVFSWHSL-OCCSQVGLSA-N 0 3 246.354 2.266 10 0 BEAEHN CC(C)[C@@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000034597926 347185646 /nfs/dbraw/zinc/18/56/46/347185646.db2.gz PAMGSSLIZHRTEC-SNVBAGLBSA-N 0 3 230.352 2.097 10 0 BEAEHN Cc1cccc([C@H](NC2CCCCC2)C(N)=O)c1 ZINC000037969633 179202774 /nfs/dbraw/zinc/20/27/74/179202774.db2.gz LDULLSYQXDUAQZ-AWEZNQCLSA-N 0 3 246.354 2.444 10 0 BEAEHN Cn1cnc2c1[C@H](C1(C)CCCC1)NCC2 ZINC000725242784 537989293 /nfs/dbraw/zinc/98/92/93/537989293.db2.gz TZVPJNUPAUSKOA-GFCCVEGCSA-N 0 3 219.332 2.187 10 0 BEAEHN Clc1csc(N2CCN3CCC[C@H]3C2)n1 ZINC000250781918 362821033 /nfs/dbraw/zinc/82/10/33/362821033.db2.gz SBANEINHHJBXBI-QMMMGPOBSA-N 0 3 243.763 2.081 10 0 BEAEHN c1cc2c(o1)CCN[C@@]21C[C@@H]2CCC[C@@H]21 ZINC000725242869 537989548 /nfs/dbraw/zinc/98/95/48/537989548.db2.gz HIBWAUBCRGTXDN-OUJBWJOFSA-N 0 3 203.285 2.441 10 0 BEAEHN c1cc2c(o1)CCN[C@@]21C[C@@H]2CCC[C@H]21 ZINC000725242868 537989787 /nfs/dbraw/zinc/98/97/87/537989787.db2.gz HIBWAUBCRGTXDN-OPQQBVKSSA-N 0 3 203.285 2.441 10 0 BEAEHN Cc1ccccc1CN(C)c1ncccc1CN ZINC000036791906 179271197 /nfs/dbraw/zinc/27/11/97/179271197.db2.gz YUIGAVOYPYQACQ-UHFFFAOYSA-N 0 3 241.338 2.485 10 0 BEAEHN Cc1ccccc1C[C@@H](C)NCc1nccn1C ZINC000051923722 179289086 /nfs/dbraw/zinc/28/90/86/179289086.db2.gz LJNSGITWIIRWNB-CYBMUJFWSA-N 0 3 243.354 2.449 10 0 BEAEHN Cc1ccccc1C[C@@H](N)c1cncnc1 ZINC000052887382 179289710 /nfs/dbraw/zinc/28/97/10/179289710.db2.gz MTSGTQFRFAJLCZ-CYBMUJFWSA-N 0 3 213.284 2.028 10 0 BEAEHN Cc1ccccc1[C@@H](NC1CCCC1)C(N)=O ZINC000037968867 179324471 /nfs/dbraw/zinc/32/44/71/179324471.db2.gz HVHGIIMCQLBBGR-CYBMUJFWSA-N 0 3 232.327 2.054 10 0 BEAEHN CN(c1cccc(Cl)c1CN)C1CC1 ZINC000037081386 348016888 /nfs/dbraw/zinc/01/68/88/348016888.db2.gz HKPIEKYKQDILHM-UHFFFAOYSA-N 0 3 210.708 2.397 10 0 BEAEHN CC[C@@H](C)NC[C@H](O)C(Cl)(Cl)Cl ZINC000669381950 537999876 /nfs/dbraw/zinc/99/98/76/537999876.db2.gz BMEHLAYRRXAJGD-RITPCOANSA-N 0 3 234.554 2.106 10 0 BEAEHN CCC(CC)NC[C@@H](O)C(Cl)(Cl)Cl ZINC000669382296 538000110 /nfs/dbraw/zinc/00/01/10/538000110.db2.gz JSEPAAKAQYNKRO-SSDOTTSWSA-N 0 3 248.581 2.496 10 0 BEAEHN Cc1cccnc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000161797119 179382112 /nfs/dbraw/zinc/38/21/12/179382112.db2.gz RLPILNWNZXBFEB-AAEUAGOBSA-N 0 3 220.316 2.047 10 0 BEAEHN CC[C@@H]1CS[C@]2(CS[C@H](C)C2)N1 ZINC000251378713 362867988 /nfs/dbraw/zinc/86/79/88/362867988.db2.gz VROQSYYGOIRWRC-IWSPIJDZSA-N 0 3 203.376 2.323 10 0 BEAEHN CC(C)[C@H](O)CCN[C@@H](C)c1ccccn1 ZINC000127544624 187395053 /nfs/dbraw/zinc/39/50/53/187395053.db2.gz VWLMFORMOTUGEP-WCQYABFASA-N 0 3 222.332 2.139 10 0 BEAEHN C[C@@H]1CN([C@H]2CCCC2(C)C)CCC1=O ZINC000251792783 362920553 /nfs/dbraw/zinc/92/05/53/362920553.db2.gz NNOCYVCTNKPCRO-PWSUYJOCSA-N 0 3 209.333 2.476 10 0 BEAEHN CC[C@H](C)c1nc([C@H]2CCC[NH2+]2)cc(=O)[n-]1 ZINC000669382889 538004413 /nfs/dbraw/zinc/00/44/13/538004413.db2.gz NHHYARQSCFKOAX-DTWKUNHWSA-N 0 3 221.304 2.120 10 0 BEAEHN CCc1ccc([C@@H](C)NC(=O)CNC2CC2)cc1 ZINC000037390223 348404323 /nfs/dbraw/zinc/40/43/23/348404323.db2.gz WXNZOBCSWQJZPS-LLVKDONJSA-N 0 3 246.354 2.178 10 0 BEAEHN CC[C@H](C)c1nc([C@@H]2CCC[NH2+]2)cc(=O)[n-]1 ZINC000669382890 538005625 /nfs/dbraw/zinc/00/56/25/538005625.db2.gz NHHYARQSCFKOAX-IUCAKERBSA-N 0 3 221.304 2.120 10 0 BEAEHN N[C@H]1C[C@@]12CNc1c2cccc1C(F)(F)F ZINC000725246909 538009061 /nfs/dbraw/zinc/00/90/61/538009061.db2.gz APCKXFZRSPXWKV-WPRPVWTQSA-N 0 3 228.217 2.100 10 0 BEAEHN Cc1cnc(CN[C@@H](C)C2(C)CC2)cn1 ZINC000061320420 179605563 /nfs/dbraw/zinc/60/55/63/179605563.db2.gz PHTGAGJWLXRPDC-JTQLQIEISA-N 0 3 205.305 2.063 10 0 BEAEHN CCCN1C[C@]2(C[C@H]2N)c2cc(C)ccc21 ZINC000725246945 538009534 /nfs/dbraw/zinc/00/95/34/538009534.db2.gz BJWJKNXVHFYOCV-ZIAGYGMSSA-N 0 3 216.328 2.194 10 0 BEAEHN Cc1ccc2c(c1Cl)NC[C@@]21C[C@H]1N ZINC000725246899 538009637 /nfs/dbraw/zinc/00/96/37/538009637.db2.gz ADUCDHONSHYVOH-KCJUWKMLSA-N 0 3 208.692 2.043 10 0 BEAEHN N[C@@H]1C[C@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247075 538011303 /nfs/dbraw/zinc/01/13/03/538011303.db2.gz GQXAMYOAPLVECT-SCZZXKLOSA-N 0 3 229.110 2.388 10 0 BEAEHN Cc1c2c(ccc1Cl)[C@]1(C[C@@H]1N)CN2 ZINC000725247087 538012266 /nfs/dbraw/zinc/01/22/66/538012266.db2.gz GUUNLCLDKACBFW-ONGXEEELSA-N 0 3 208.692 2.043 10 0 BEAEHN CSCC1CCC(N)(c2ncc[nH]2)CC1 ZINC000521402023 323201100 /nfs/dbraw/zinc/20/11/00/323201100.db2.gz SPOHEHZYVKBGLJ-UHFFFAOYSA-N 0 3 225.361 2.117 10 0 BEAEHN CN[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000054075030 348876912 /nfs/dbraw/zinc/87/69/12/348876912.db2.gz GGHAEFZTUINDCO-NEPJUHHUSA-N 0 3 234.343 2.122 10 0 BEAEHN CN[C@H](C)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000054075029 348877185 /nfs/dbraw/zinc/87/71/85/348877185.db2.gz GGHAEFZTUINDCO-VXGBXAGGSA-N 0 3 234.343 2.122 10 0 BEAEHN FCC[C@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000308881627 349017947 /nfs/dbraw/zinc/01/79/47/349017947.db2.gz QNCJLYODXVEFJF-MWLCHTKSSA-N 0 3 211.284 2.028 10 0 BEAEHN O[C@H]1CCC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000599516512 349205221 /nfs/dbraw/zinc/20/52/21/349205221.db2.gz HSABMUJLFBWOIL-NEPJUHHUSA-N 0 3 242.322 2.372 10 0 BEAEHN NCc1nsc2c1c(F)c(F)c(F)c2F ZINC000725254054 538043117 /nfs/dbraw/zinc/04/31/17/538043117.db2.gz DBPWASNCGLPTEL-UHFFFAOYSA-N 0 3 236.193 2.311 10 0 BEAEHN C[C@H]1CCCN(Cc2csc(CN)n2)[C@H]1C ZINC000251557329 538046145 /nfs/dbraw/zinc/04/61/45/538046145.db2.gz AEEQRUVKWMIWGF-UWVGGRQHSA-N 0 3 239.388 2.222 10 0 BEAEHN Cc1nc(C[C@@H](N)c2ccccn2)sc1C ZINC000036279616 179981978 /nfs/dbraw/zinc/98/19/78/179981978.db2.gz WDHQLRYFNOTVRO-SNVBAGLBSA-N 0 3 233.340 2.397 10 0 BEAEHN Cc1nc(Cc2ncc([C@@H](C)N)c(C)n2)cs1 ZINC000055296857 179985221 /nfs/dbraw/zinc/98/52/21/179985221.db2.gz RFIKFDSXBUHEEZ-SSDOTTSWSA-N 0 3 248.355 2.160 10 0 BEAEHN Cc1nc(N2Cc3ccccc3C2)sc1CN ZINC000054998252 180004856 /nfs/dbraw/zinc/00/48/56/180004856.db2.gz WPJSNKJGKSMSAO-UHFFFAOYSA-N 0 3 245.351 2.430 10 0 BEAEHN Cc1[nH]c([C@@H](C)N)nc1-c1cccs1 ZINC000041062173 180032906 /nfs/dbraw/zinc/03/29/06/180032906.db2.gz COFCCOYXJAGRRR-ZCFIWIBFSA-N 0 3 207.302 2.466 10 0 BEAEHN Cc1nc([C@@H](C)N)[nH]c1-c1cccs1 ZINC000041062173 180032909 /nfs/dbraw/zinc/03/29/09/180032909.db2.gz COFCCOYXJAGRRR-ZCFIWIBFSA-N 0 3 207.302 2.466 10 0 BEAEHN Cc1nc([C@@H](N)Cc2ccco2)cs1 ZINC000082376878 180039001 /nfs/dbraw/zinc/03/90/01/180039001.db2.gz SMIQQQQLOSYFLD-VIFPVBQESA-N 0 3 208.286 2.287 10 0 BEAEHN Cc1nc([C@H](C)c2ccccc2)c(N)n1C ZINC000104912096 180052888 /nfs/dbraw/zinc/05/28/88/180052888.db2.gz RWLQIDMTWSFBSF-SECBINFHSA-N 0 3 215.300 2.463 10 0 BEAEHN Cc1nc([C@H](N)Cc2ccccn2)cs1 ZINC000082366340 180053434 /nfs/dbraw/zinc/05/34/34/180053434.db2.gz GDYJJSORCSIIIP-SNVBAGLBSA-N 0 3 219.313 2.089 10 0 BEAEHN Cc1nc([C@H]2CCCO2)sc1[C@H](C)N ZINC000082420718 180056869 /nfs/dbraw/zinc/05/68/69/180056869.db2.gz NEMSDFLEDKFITB-POYBYMJQSA-N 0 3 212.318 2.323 10 0 BEAEHN CCN1CCC[C@H](N[C@@H](C)c2cncs2)C1 ZINC000132519801 191032679 /nfs/dbraw/zinc/03/26/79/191032679.db2.gz SFJDCKIOEJWCOY-QWRGUYRKSA-N 0 3 239.388 2.278 10 0 BEAEHN Cc1cccc(CNCC[C@H](C)[S@@](C)=O)c1 ZINC000132568652 191034726 /nfs/dbraw/zinc/03/47/26/191034726.db2.gz BMKDOULFJJPOEN-LRDDRELGSA-N 0 3 239.384 2.242 10 0 BEAEHN Cc1nc2ccc(N[C@@H]3CCCOC3)cc2[nH]1 ZINC000070464645 180096877 /nfs/dbraw/zinc/09/68/77/180096877.db2.gz PXCGNDSODZECDA-LLVKDONJSA-N 0 3 231.299 2.462 10 0 BEAEHN Cc1ccc([C@@H](C)NCC2(CCO)CC2)o1 ZINC000133152123 191038290 /nfs/dbraw/zinc/03/82/90/191038290.db2.gz HBLQCGWUZRGSAC-LLVKDONJSA-N 0 3 223.316 2.401 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2NC[C@@H]1CC=CCC1 ZINC000124458002 180110989 /nfs/dbraw/zinc/11/09/89/180110989.db2.gz CESHWXKIGUVWNQ-OLZOCXBDSA-N 0 3 246.358 2.367 10 0 BEAEHN CCN=C1N[C@H](c2ccccc2)CS1 ZINC000063001135 350200318 /nfs/dbraw/zinc/20/03/18/350200318.db2.gz JVYFJVOQSPQWIB-JTQLQIEISA-N 0 3 206.314 2.440 10 0 BEAEHN Cc1nccc(CNC[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000104236164 180189985 /nfs/dbraw/zinc/18/99/85/180189985.db2.gz WJFJSYVEOQXVCD-XQQFMLRXSA-N 0 3 231.343 2.311 10 0 BEAEHN Cc1nccc(CN[C@@H](C)C2(C)CC2)n1 ZINC000038037579 180190831 /nfs/dbraw/zinc/19/08/31/180190831.db2.gz LQPGXZGWPJUOMW-VIFPVBQESA-N 0 3 205.305 2.063 10 0 BEAEHN Cc1nccc(Oc2ccccc2CN)n1 ZINC000054937306 180207859 /nfs/dbraw/zinc/20/78/59/180207859.db2.gz XLQXNTGGBJGNKA-UHFFFAOYSA-N 0 3 215.256 2.036 10 0 BEAEHN Cc1nccc(CNC[C@H]2CC=CCC2)n1 ZINC000037997775 180189771 /nfs/dbraw/zinc/18/97/71/180189771.db2.gz WJULZOIGPMEYGM-LBPRGKRZSA-N 0 3 217.316 2.231 10 0 BEAEHN Cc1ncn([C@@H]2COc3ccccc3[C@H]2N)c1C ZINC000051926485 180288703 /nfs/dbraw/zinc/28/87/03/180288703.db2.gz OWPDHQGHSRHIOS-TZMCWYRMSA-N 0 3 243.310 2.133 10 0 BEAEHN Cc1ncn([C@H]2COc3ccccc3[C@H]2N)c1C ZINC000051926486 180288945 /nfs/dbraw/zinc/28/89/45/180288945.db2.gz OWPDHQGHSRHIOS-GXTWGEPZSA-N 0 3 243.310 2.133 10 0 BEAEHN Cc1nn(C)c(C)c1[C@H](N)c1ccccc1F ZINC000075872397 180350104 /nfs/dbraw/zinc/35/01/04/180350104.db2.gz ZIVXAHIXVANNIR-CYBMUJFWSA-N 0 3 233.290 2.224 10 0 BEAEHN CN1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616592699 350469281 /nfs/dbraw/zinc/46/92/81/350469281.db2.gz GAHNTHYPGQUFND-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN C[C@H]1C[C@H](n2cc(CN)nn2)CC(C)(C)C1 ZINC000409424846 350475910 /nfs/dbraw/zinc/47/59/10/350475910.db2.gz YTNQRUFEROSFOQ-ONGXEEELSA-N 0 3 222.336 2.124 10 0 BEAEHN NCc1cc(CCC2CCCC2)ncn1 ZINC000409436627 350479691 /nfs/dbraw/zinc/47/96/91/350479691.db2.gz OAQYNXQXYSFAPF-UHFFFAOYSA-N 0 3 205.305 2.058 10 0 BEAEHN NCc1cnc(-c2ccoc2)c(Cl)c1 ZINC000409436643 350479701 /nfs/dbraw/zinc/47/97/01/350479701.db2.gz PPQCALVMPFQRJC-UHFFFAOYSA-N 0 3 208.648 2.454 10 0 BEAEHN Cc1nn([C@H](CN)c2ccccc2F)c(C)c1C ZINC000043046351 180393039 /nfs/dbraw/zinc/39/30/39/180393039.db2.gz SENHEZUPTSWBJP-CQSZACIVSA-N 0 3 247.317 2.496 10 0 BEAEHN c1coc([C@@H]2CCCN2CCn2ccnc2)c1 ZINC000163038195 350495569 /nfs/dbraw/zinc/49/55/69/350495569.db2.gz FUGPEITYKTUQNL-LBPRGKRZSA-N 0 3 231.299 2.313 10 0 BEAEHN c1coc([C@H]2CCCN2CCn2ccnc2)c1 ZINC000163038274 350496134 /nfs/dbraw/zinc/49/61/34/350496134.db2.gz FUGPEITYKTUQNL-GFCCVEGCSA-N 0 3 231.299 2.313 10 0 BEAEHN CCN1CCO[C@@H](c2cccc(CCO)c2)CC1 ZINC000616595655 350609739 /nfs/dbraw/zinc/60/97/39/350609739.db2.gz XFHSWMOSNNXUST-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CN1CCO[C@@H](c2cnnc3ccccc32)CC1 ZINC000616595715 350610995 /nfs/dbraw/zinc/61/09/95/350610995.db2.gz YCIAFPVLYJDWDX-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CCN1CCOCC[C@H]1c1ccccc1N ZINC000616597416 350652356 /nfs/dbraw/zinc/65/23/56/350652356.db2.gz FFYUIZJLGZORGO-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CC(C)N1CCOCC[C@H]1c1ccccc1N ZINC000616597761 350653685 /nfs/dbraw/zinc/65/36/85/350653685.db2.gz KFZVHOUMXVGQGD-AWEZNQCLSA-N 0 3 234.343 2.441 10 0 BEAEHN C[C@H](O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000095659329 350661211 /nfs/dbraw/zinc/66/12/11/350661211.db2.gz RHMFFVGFZDRSPL-IMTBSYHQSA-N 0 3 219.206 2.086 10 0 BEAEHN CN1CCOCC[C@H]1c1cccc2nnccc21 ZINC000616598868 350687475 /nfs/dbraw/zinc/68/74/75/350687475.db2.gz UBMGHZOMVABIKK-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CCN1CCOCC[C@H]1c1ccc(N)cc1 ZINC000616598797 350689067 /nfs/dbraw/zinc/68/90/67/350689067.db2.gz RNRIBVOCOLNFPT-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CN1CCCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616599647 350755122 /nfs/dbraw/zinc/75/51/22/350755122.db2.gz MVOKXYSKVZSWRS-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CC(=O)Nc1ccc([C@H]2CCOCCN2C)cc1 ZINC000616599751 350757589 /nfs/dbraw/zinc/75/75/89/350757589.db2.gz VYGPSBKIGWDUTA-CQSZACIVSA-N 0 3 248.326 2.038 10 0 BEAEHN CCN1CCN[C@@H](c2cccc3ccncc32)C1 ZINC000616600395 350779383 /nfs/dbraw/zinc/77/93/83/350779383.db2.gz IOYXLMAMSJEWJQ-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN OCCN1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616607546 350800916 /nfs/dbraw/zinc/80/09/16/350800916.db2.gz JYBHJXUYAWIKSU-HNNXBMFYSA-N 0 3 242.322 2.364 10 0 BEAEHN Cc1sc(N(C)C2CC2)nc1[C@H](C)N ZINC000306683529 350841383 /nfs/dbraw/zinc/84/13/83/350841383.db2.gz WDFSPKJCSSULJM-LURJTMIESA-N 0 3 211.334 2.070 10 0 BEAEHN CN[C@@H](C)c1cc(Br)ncc1F ZINC000306696091 350846488 /nfs/dbraw/zinc/84/64/88/350846488.db2.gz WVNOLAGAFAOEDE-YFKPBYRVSA-N 0 3 233.084 2.264 10 0 BEAEHN CSC1([C@@H]2NC[C@@H](C)S2)CCC1 ZINC000306727415 350898369 /nfs/dbraw/zinc/89/83/69/350898369.db2.gz AUJWGUWYJXNTLI-HTQZYQBOSA-N 0 3 203.376 2.323 10 0 BEAEHN CC(C)(C)N1CCC(c2cnno2)CC1 ZINC000616619779 350928322 /nfs/dbraw/zinc/92/83/22/350928322.db2.gz QYIYKQFCOWYHOT-UHFFFAOYSA-N 0 3 209.293 2.048 10 0 BEAEHN NC[C@H](N)c1cc(Cl)sc1Cl ZINC000306750896 350959756 /nfs/dbraw/zinc/95/97/56/350959756.db2.gz JRBZTGXORCABAO-BYPYZUCNSA-N 0 3 211.117 2.013 10 0 BEAEHN N[C@@H](Cc1cncs1)c1cccs1 ZINC000159708046 350980382 /nfs/dbraw/zinc/98/03/82/350980382.db2.gz XQDBDJWFOBVVCQ-QMMMGPOBSA-N 0 3 210.327 2.447 10 0 BEAEHN N[C@@H](c1ccsc1)C1(CO)CCCC1 ZINC000306807306 351059324 /nfs/dbraw/zinc/05/93/24/351059324.db2.gz LXFRFCCFGOEEKE-JTQLQIEISA-N 0 3 211.330 2.301 10 0 BEAEHN CCN1CCN[C@@H](c2cccc3ncccc32)C1 ZINC000616632118 351109976 /nfs/dbraw/zinc/10/99/76/351109976.db2.gz LTIKGWPBAGFHQK-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CNc1cccc([C@H]2CN(C(C)(C)C)CCN2)c1 ZINC000616632004 351110375 /nfs/dbraw/zinc/11/03/75/351110375.db2.gz JUOWZMDUTPRLRB-CQSZACIVSA-N 0 3 247.386 2.473 10 0 BEAEHN CCN1CCN[C@H](c2ccc3cccnc3c2)C1 ZINC000616633042 351114556 /nfs/dbraw/zinc/11/45/56/351114556.db2.gz YEBBUGXNYMVXCU-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN OCCN1CCC[C@@H]1c1nccc2ccccc21 ZINC000616633664 351116231 /nfs/dbraw/zinc/11/62/31/351116231.db2.gz RBKUONCKLXQNBN-CQSZACIVSA-N 0 3 242.322 2.364 10 0 BEAEHN CN1CCCCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616624055 351090836 /nfs/dbraw/zinc/09/08/36/351090836.db2.gz VZQLCKOMJHWUCR-CYBMUJFWSA-N 0 3 232.327 2.332 10 0 BEAEHN CC(C)N1CCCCC[C@@H]1c1c[nH]nc1N ZINC000616623992 351091240 /nfs/dbraw/zinc/09/12/40/351091240.db2.gz SXOYKZDTAFWFQC-LLVKDONJSA-N 0 3 222.336 2.148 10 0 BEAEHN OCCN1CCC[C@@H](c2ccccc2F)CC1 ZINC000616628343 351097886 /nfs/dbraw/zinc/09/78/86/351097886.db2.gz QBYIULLNRXZWAC-GFCCVEGCSA-N 0 3 237.318 2.388 10 0 BEAEHN CC(C)N1CCCOC[C@H]1c1ccccc1N ZINC000616644934 351165683 /nfs/dbraw/zinc/16/56/83/351165683.db2.gz JXSMADZXLATDAA-AWEZNQCLSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)(C)N1CCCO[C@@H](c2ccnc(N)c2)C1 ZINC000616653901 351195022 /nfs/dbraw/zinc/19/50/22/351195022.db2.gz YPCXMWHMMQXCEO-GFCCVEGCSA-N 0 3 249.358 2.056 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](C(F)F)C1 ZINC000616650054 351173175 /nfs/dbraw/zinc/17/31/75/351173175.db2.gz RKLAUNAAPDLQQH-QMMMGPOBSA-N 0 3 207.264 2.141 10 0 BEAEHN CC(C)N1CCCO[C@H](c2ccccc2CO)C1 ZINC000616649856 351180467 /nfs/dbraw/zinc/18/04/67/351180467.db2.gz LUPXZCMVRWHMCH-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CCN1CCNC[C@H]1c1ccc2ccncc2c1 ZINC000616636494 351127567 /nfs/dbraw/zinc/12/75/67/351127567.db2.gz BWZKTUKJTQNZSO-HNNXBMFYSA-N 0 3 241.338 2.201 10 0 BEAEHN C[C@H]1CSC(NCCC(F)(F)F)=N1 ZINC000063100811 351140376 /nfs/dbraw/zinc/14/03/76/351140376.db2.gz NNNPSAPMMVHIDS-YFKPBYRVSA-N 0 3 212.240 2.020 10 0 BEAEHN CN1CCO[C@H](c2ccc3nnccc3c2)CC1 ZINC000616684116 351255081 /nfs/dbraw/zinc/25/50/81/351255081.db2.gz CNXGBGBXGKJQIH-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN COc1cccc([C@@H]2CCN(C)CCO2)c1 ZINC000616686932 351257357 /nfs/dbraw/zinc/25/73/57/351257357.db2.gz LUUJNYCBCFHTCG-ZDUSSCGKSA-N 0 3 221.300 2.088 10 0 BEAEHN CC(C)(C)N1CCOCC[C@H]1c1ccnnc1 ZINC000616656776 351197186 /nfs/dbraw/zinc/19/71/86/351197186.db2.gz NWEHBBYXSIYUEA-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CNc1ccc([C@@H]2CCOCCN2C)cc1 ZINC000616656140 351201831 /nfs/dbraw/zinc/20/18/31/351201831.db2.gz BKQNSCXAGIYNDT-ZDUSSCGKSA-N 0 3 220.316 2.122 10 0 BEAEHN CN1CCOCC[C@@H]1c1cccc2nnccc21 ZINC000616656371 351202741 /nfs/dbraw/zinc/20/27/41/351202741.db2.gz UBMGHZOMVABIKK-CQSZACIVSA-N 0 3 243.310 2.023 10 0 BEAEHN CN1CCOC[C@H](c2cccc3cnccc32)C1 ZINC000616659387 351207413 /nfs/dbraw/zinc/20/74/13/351207413.db2.gz QXULQTDVTNZZEP-CYBMUJFWSA-N 0 3 242.322 2.280 10 0 BEAEHN CC(C)(C)N1CCOC[C@H](C(F)(F)F)C1 ZINC000616661572 351210595 /nfs/dbraw/zinc/21/05/95/351210595.db2.gz UYFMEEUWKOEBNR-MRVPVSSYSA-N 0 3 225.254 2.296 10 0 BEAEHN CC(C)N1CCOC[C@H](c2cccc(CO)c2)C1 ZINC000616660590 351212112 /nfs/dbraw/zinc/21/21/12/351212112.db2.gz NYXCJIKUXULWCR-OAHLLOKOSA-N 0 3 249.354 2.003 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ccnc(N)c2)CC1 ZINC000616665265 351222452 /nfs/dbraw/zinc/22/24/52/351222452.db2.gz DYVPMGHQNSKSTG-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN CCOc1ccc([C@H](F)CN)cc1OC ZINC000380106942 351356020 /nfs/dbraw/zinc/35/60/20/351356020.db2.gz QXVZZIBIOKHCAF-SECBINFHSA-N 0 3 213.252 2.063 10 0 BEAEHN C(NC1=NC[C@@H](C2CCC2)S1)C1CC1 ZINC000307032062 351432899 /nfs/dbraw/zinc/43/28/99/351432899.db2.gz PMPWPCIKQOZFET-JTQLQIEISA-N 0 3 210.346 2.258 10 0 BEAEHN NC[C@H](F)Cc1ccsc1Br ZINC000307009103 351416725 /nfs/dbraw/zinc/41/67/25/351416725.db2.gz HMKDCYXSHYGZMP-ZCFIWIBFSA-N 0 3 238.125 2.350 10 0 BEAEHN Oc1csc(N2CCC=C(Cl)C2)n1 ZINC000404390977 351422862 /nfs/dbraw/zinc/42/28/62/351422862.db2.gz MIMXUNHKDKBMNY-UHFFFAOYSA-N 0 3 216.693 2.182 10 0 BEAEHN C[C@]1([C@@H](N)c2cnsc2)CCCS1 ZINC000404592644 351593287 /nfs/dbraw/zinc/59/32/87/351593287.db2.gz MHOIQYVSAHGBOQ-DTWKUNHWSA-N 0 3 214.359 2.429 10 0 BEAEHN N[C@@H](c1cnsc1)[C@H]1CCCCS1 ZINC000404592657 351593297 /nfs/dbraw/zinc/59/32/97/351593297.db2.gz MIUJBLYJQKYFNB-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN CNCc1cc(N)c(C)cc1Br ZINC000307213234 351616210 /nfs/dbraw/zinc/61/62/10/351616210.db2.gz XFORYYUTPZOYMB-UHFFFAOYSA-N 0 3 229.121 2.059 10 0 BEAEHN N[C@@H](c1ccns1)[C@H]1CCCCS1 ZINC000307275212 351832122 /nfs/dbraw/zinc/83/21/22/351832122.db2.gz PEFMLIXHEXTDCW-VXNVDRBHSA-N 0 3 214.359 2.429 10 0 BEAEHN Cc1nc(C2CSC2)sc1[C@H](C)N ZINC000404745725 352024905 /nfs/dbraw/zinc/02/49/05/352024905.db2.gz ZLABRQPVVAQUQX-YFKPBYRVSA-N 0 3 214.359 2.302 10 0 BEAEHN Cc1cc(Br)cc2c1CCNC2 ZINC000307342617 352091870 /nfs/dbraw/zinc/09/18/70/352091870.db2.gz VVSDOVQZYRMVFW-UHFFFAOYSA-N 0 3 226.117 2.403 10 0 BEAEHN F[C@H](c1cscn1)[C@@H]1CCCCN1 ZINC000307347903 352102906 /nfs/dbraw/zinc/10/29/06/352102906.db2.gz NKPAKBBAZAXTPV-CBAPKCEASA-N 0 3 200.282 2.296 10 0 BEAEHN CCn1cc(C(F)F)c(C2(N)CCC2)n1 ZINC000725270933 538103093 /nfs/dbraw/zinc/10/30/93/538103093.db2.gz URXJOCXADPGCIQ-UHFFFAOYSA-N 0 3 215.247 2.179 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NC[C@](C)(O)C(F)(F)F ZINC000389716470 352409724 /nfs/dbraw/zinc/40/97/24/352409724.db2.gz OBEDAFRXRJZCMO-VGMNWLOBSA-N 0 3 225.254 2.078 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NCC[C@H]1CC=CCC1 ZINC000638601936 352437470 /nfs/dbraw/zinc/43/74/70/352437470.db2.gz SPEUHCQGCLZHED-RWMBFGLXSA-N 0 3 238.375 2.222 10 0 BEAEHN C[C@]1([C@H](N)c2cscn2)CCCS1 ZINC000307367789 352452768 /nfs/dbraw/zinc/45/27/68/352452768.db2.gz MKNCCARNULNNJD-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN CC[C@H](N)c1nscc1Br ZINC000404795781 352468977 /nfs/dbraw/zinc/46/89/77/352468977.db2.gz HWFYAFYUCXIMNT-YFKPBYRVSA-N 0 3 221.123 2.315 10 0 BEAEHN CC1(C)[C@H](N)[C@H]1c1ncc(Cl)s1 ZINC000300763932 352573791 /nfs/dbraw/zinc/57/37/91/352573791.db2.gz NQOKDMCPXVUCSY-NTSWFWBYSA-N 0 3 202.710 2.247 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(O)c1 ZINC000638756678 352687376 /nfs/dbraw/zinc/68/73/76/352687376.db2.gz JVCXFZGWMORKMR-BXKDBHETSA-N 0 3 236.315 2.013 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000638755718 352689659 /nfs/dbraw/zinc/68/96/59/352689659.db2.gz FRSCKNPFLXADKQ-NWDGAFQWSA-N 0 3 238.375 2.153 10 0 BEAEHN NCc1cc(OC(F)F)cc(F)c1F ZINC000307651711 352741751 /nfs/dbraw/zinc/74/17/51/352741751.db2.gz MIDSODMIZMUBNM-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN CCC[C@@H](C(=O)NCC(CC)CC)N(C)C ZINC000152708310 538105750 /nfs/dbraw/zinc/10/57/50/538105750.db2.gz LNKYICZHIWKQCZ-LBPRGKRZSA-N 0 3 228.380 2.269 10 0 BEAEHN Cc1cc(SC(C)C)cc(C(=N)N)n1 ZINC000306496379 353019632 /nfs/dbraw/zinc/01/96/32/353019632.db2.gz XNOMJAGMAPDMGR-UHFFFAOYSA-N 0 3 209.318 2.175 10 0 BEAEHN N[C@H](c1ccsc1Cl)[C@@H]1CCOC1 ZINC000306348020 353006062 /nfs/dbraw/zinc/00/60/62/353006062.db2.gz FYHDENZXAITUDF-SVRRBLITSA-N 0 3 217.721 2.438 10 0 BEAEHN CC[C@@](C)(N)c1ncccc1Br ZINC000307387684 353072962 /nfs/dbraw/zinc/07/29/62/353072962.db2.gz DPVCVKQIUONOSC-SECBINFHSA-N 0 3 229.121 2.428 10 0 BEAEHN CCNCc1cc(Br)oc1C ZINC000306837436 353042306 /nfs/dbraw/zinc/04/23/06/353042306.db2.gz VOBUYFYADNPXLU-UHFFFAOYSA-N 0 3 218.094 2.460 10 0 BEAEHN CC(C)(N)c1csc(C2CSC2)n1 ZINC000405173137 353137253 /nfs/dbraw/zinc/13/72/53/353137253.db2.gz CIGIECKLMRPTMC-UHFFFAOYSA-N 0 3 214.359 2.167 10 0 BEAEHN CC(C)(N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000040922876 188084616 /nfs/dbraw/zinc/08/46/16/188084616.db2.gz ZIWTUIDKLSNHTN-UHFFFAOYSA-N 0 3 245.282 2.017 10 0 BEAEHN Cc1nn(C(C)C)cc1CN[C@@H]1C[C@H]1C ZINC000281447865 188095603 /nfs/dbraw/zinc/09/56/03/188095603.db2.gz SPJUJMBVHFLUOC-BXKDBHETSA-N 0 3 207.321 2.270 10 0 BEAEHN COc1ccc([C@H](N)c2ccoc2)cc1F ZINC000035424403 188111678 /nfs/dbraw/zinc/11/16/78/188111678.db2.gz STCLBAFIJBVJJU-LBPRGKRZSA-N 0 3 221.231 2.475 10 0 BEAEHN CCCn1cccc1CNC[C@H]1CCCO1 ZINC000045205843 188123397 /nfs/dbraw/zinc/12/33/97/188123397.db2.gz JTNJZXHMVQQSCU-CYBMUJFWSA-N 0 3 222.332 2.167 10 0 BEAEHN CC(C)[C@@H](N)c1nc2ccc(F)cc2n1C ZINC000052124423 188126492 /nfs/dbraw/zinc/12/64/92/188126492.db2.gz SFSXOYMNXPVLKL-LLVKDONJSA-N 0 3 221.279 2.368 10 0 BEAEHN Cc1ncc(CN[C@@H]2CCCc3occc32)[nH]1 ZINC000054821555 188127292 /nfs/dbraw/zinc/12/72/92/188127292.db2.gz WGDUBDXYSZMGPQ-GFCCVEGCSA-N 0 3 231.299 2.478 10 0 BEAEHN CC(=O)Nc1ccccc1CN[C@H]1C[C@@H]1C ZINC000085573334 188142958 /nfs/dbraw/zinc/14/29/58/188142958.db2.gz SVKZVZOFHPPKCU-ZANVPECISA-N 0 3 218.300 2.143 10 0 BEAEHN C[C@H](CC1CCC1)NC(=O)[C@@]1(C)CCCCN1 ZINC000638995743 353238310 /nfs/dbraw/zinc/23/83/10/353238310.db2.gz FRWBOBFBABGDIU-BXUZGUMPSA-N 0 3 238.375 2.214 10 0 BEAEHN CCOc1ccccc1-c1c[nH]c(N)n1 ZINC000031891150 188181516 /nfs/dbraw/zinc/18/15/16/188181516.db2.gz WUHJXRHPEOTYLR-UHFFFAOYSA-N 0 3 203.245 2.058 10 0 BEAEHN CC(C)N1CCN[C@H](c2cccs2)C1 ZINC000077304299 188222037 /nfs/dbraw/zinc/22/20/37/188222037.db2.gz DVVCZOWIHHBTDH-JTQLQIEISA-N 0 3 210.346 2.103 10 0 BEAEHN c1ccc2c(c1)CN([C@@H]1CCOC1)CC21CC1 ZINC000334515088 353590478 /nfs/dbraw/zinc/59/04/78/353590478.db2.gz NHUFHKMWUKXDIO-CYBMUJFWSA-N 0 3 229.323 2.323 10 0 BEAEHN c1ccc2c(c1)CN([C@H]1CCOC1)CC21CC1 ZINC000334515091 353590783 /nfs/dbraw/zinc/59/07/83/353590783.db2.gz NHUFHKMWUKXDIO-ZDUSSCGKSA-N 0 3 229.323 2.323 10 0 BEAEHN CC(C)[C@H](N)C(=O)Nc1ccc(F)cc1Cl ZINC000020595448 188463155 /nfs/dbraw/zinc/46/31/55/188463155.db2.gz WFGGPBSDYWXVPP-JTQLQIEISA-N 0 3 244.697 2.401 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1ccoc1 ZINC000087289866 491067571 /nfs/dbraw/zinc/06/75/71/491067571.db2.gz ZOIJDNSPYHECRJ-WCQGTBRESA-N 0 3 209.289 2.234 10 0 BEAEHN CC(C)Nc1ncc(Br)cc1CN ZINC000166342725 355385627 /nfs/dbraw/zinc/38/56/27/355385627.db2.gz YOFOOSNIFRIZTK-UHFFFAOYSA-N 0 3 244.136 2.123 10 0 BEAEHN N=C(N)c1cc(Cl)cc(Cl)c1F ZINC000075915131 181193522 /nfs/dbraw/zinc/19/35/22/181193522.db2.gz IYOFWJSAJCXPIO-UHFFFAOYSA-N 0 3 207.035 2.417 10 0 BEAEHN N=C(N)c1ncccc1COc1ccc(F)cc1 ZINC000061658505 181197008 /nfs/dbraw/zinc/19/70/08/181197008.db2.gz SEXUMQUMLUULQX-UHFFFAOYSA-N 0 3 245.257 2.084 10 0 BEAEHN N=C(N)c1nccc2c(Cl)cccc21 ZINC000082768613 181197056 /nfs/dbraw/zinc/19/70/56/181197056.db2.gz ZZNDCAJQZKFHHQ-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN CC(C)(C)OC(=O)CCN1C[C@H]2CCC[C@@H]21 ZINC000350731495 355751890 /nfs/dbraw/zinc/75/18/90/355751890.db2.gz ATWLDDKCAMWLGD-MNOVXSKESA-N 0 3 225.332 2.203 10 0 BEAEHN N=C1c2cc(F)ccc2CN1C[C@H]1CCCO1 ZINC000071268497 181208184 /nfs/dbraw/zinc/20/81/84/181208184.db2.gz NAHYQHGHQKWTGM-LLVKDONJSA-N 0 3 234.274 2.146 10 0 BEAEHN CCN1CC[C@@H](NCc2cc(C)ccc2OC)C1 ZINC000389249838 355936272 /nfs/dbraw/zinc/93/62/72/355936272.db2.gz MNYVBRAUUMCRBL-CQSZACIVSA-N 0 3 248.370 2.187 10 0 BEAEHN CCN1CC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000389211627 355879592 /nfs/dbraw/zinc/87/95/92/355879592.db2.gz BZRLBTCHTRNJDY-SNVBAGLBSA-N 0 3 247.367 2.224 10 0 BEAEHN NC(=O)[C@@H](NCc1ccccc1)C1CCCCC1 ZINC000037941240 181265154 /nfs/dbraw/zinc/26/51/54/181265154.db2.gz LYOYGAUOKMFPMF-AWEZNQCLSA-N 0 3 246.354 2.210 10 0 BEAEHN CCc1nc(CNC[C@H]2CCCOC2)cs1 ZINC000049591331 356493276 /nfs/dbraw/zinc/49/32/76/356493276.db2.gz DUGCCQGFGZRXTE-SNVBAGLBSA-N 0 3 240.372 2.222 10 0 BEAEHN CCc1cn2c(n1)[C@@H](C(C)C)NCCC2 ZINC000675067341 538493525 /nfs/dbraw/zinc/49/35/25/538493525.db2.gz AMEVDHZMTGFMFR-LLVKDONJSA-N 0 3 207.321 2.136 10 0 BEAEHN CC(C)CC[C@]1(C)NCCc2nc[nH]c21 ZINC000220260348 538538399 /nfs/dbraw/zinc/53/83/99/538538399.db2.gz CSWBFTQKAKIGRX-LBPRGKRZSA-N 0 3 207.321 2.207 10 0 BEAEHN C[C@@]1(C2CCCCC2)NCCc2nc[nH]c21 ZINC000221392510 538560787 /nfs/dbraw/zinc/56/07/87/538560787.db2.gz IPIBEYISCKQWHX-ZDUSSCGKSA-N 0 3 219.332 2.351 10 0 BEAEHN CCC[C@@H](C)CN1CCN(CCOC)[C@H](C)C1 ZINC000180086254 366372042 /nfs/dbraw/zinc/37/20/42/366372042.db2.gz LANBPBHNSJPDPC-ZIAGYGMSSA-N 0 3 242.407 2.075 10 0 BEAEHN O[C@@H]1CCC[C@@H](NCc2ccncc2Cl)C1 ZINC000623374090 356886227 /nfs/dbraw/zinc/88/62/27/356886227.db2.gz VTLOCKWHJPCFRZ-GHMZBOCLSA-N 0 3 240.734 2.128 10 0 BEAEHN CCN1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC000117383646 356979238 /nfs/dbraw/zinc/97/92/38/356979238.db2.gz JOFHCUVLQOOJEJ-LLVKDONJSA-N 0 3 239.388 2.025 10 0 BEAEHN CC(C)OCCOCCNCc1ccccc1 ZINC000053556210 357043195 /nfs/dbraw/zinc/04/31/95/357043195.db2.gz KUWJWDARGALBEL-UHFFFAOYSA-N 0 3 237.343 2.218 10 0 BEAEHN N[C@@H]1c2cc(Cl)ccc2CCC[C@H]1O ZINC000039941515 491110695 /nfs/dbraw/zinc/11/06/95/491110695.db2.gz LTOASGHNLCUQCF-GHMZBOCLSA-N 0 3 211.692 2.037 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1ccc(OC)nc1 ZINC000232156057 357652781 /nfs/dbraw/zinc/65/27/81/357652781.db2.gz QCUCRJCDXRSCMU-NWDGAFQWSA-N 0 3 220.316 2.368 10 0 BEAEHN CC(C)(C)c1ccc2c(c1)OCCNC2 ZINC000685948352 538890566 /nfs/dbraw/zinc/89/05/66/538890566.db2.gz JKOIJDLMDIOETA-UHFFFAOYSA-N 0 3 205.301 2.466 10 0 BEAEHN CCC[C@H](N)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000037807173 358086667 /nfs/dbraw/zinc/08/66/67/358086667.db2.gz RJIDIYXASWHFPH-ZJUUUORDSA-N 0 3 214.353 2.007 10 0 BEAEHN CC(C)OCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000171499350 134258965 /nfs/dbraw/zinc/25/89/65/134258965.db2.gz HNDZHHUSYGBIDS-UONOGXRCSA-N 0 3 241.375 2.445 10 0 BEAEHN C[C@@H]1OC[C@@]2(CCCN(Cc3ccccc3)C2)O1 ZINC000584615225 358279889 /nfs/dbraw/zinc/27/98/89/358279889.db2.gz TYZIYEJBPXZPLX-HIFRSBDPSA-N 0 3 247.338 2.414 10 0 BEAEHN CN(Cc1ccc[nH]1)C[C@@H](O)c1ccccc1 ZINC000584596191 358253897 /nfs/dbraw/zinc/25/38/97/358253897.db2.gz ZPTSDXLQVUMSRU-CQSZACIVSA-N 0 3 230.311 2.180 10 0 BEAEHN CN(C)[C@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000584625405 358294069 /nfs/dbraw/zinc/29/40/69/358294069.db2.gz OBINUSWGLHKRHV-ZIAGYGMSSA-N 0 3 219.328 2.338 10 0 BEAEHN CN[C@H](C)C(=O)NC(C)(C)CCc1ccccc1 ZINC000229298228 358376636 /nfs/dbraw/zinc/37/66/36/358376636.db2.gz DBISUPGZBFFQMW-GFCCVEGCSA-N 0 3 248.370 2.122 10 0 BEAEHN C[C@@H](O)CCCN(C)Cc1ccc(F)cc1 ZINC000045620662 358564129 /nfs/dbraw/zinc/56/41/29/358564129.db2.gz GBXQVGJVWMURDN-LLVKDONJSA-N 0 3 225.307 2.419 10 0 BEAEHN COc1c(CNCC2(C3CC3)CC2)c(C)nn1C ZINC000130699364 358640407 /nfs/dbraw/zinc/64/04/07/358640407.db2.gz DPCNCFIWTKGUDF-UHFFFAOYSA-N 0 3 249.358 2.017 10 0 BEAEHN C[C@@H](NCC1(CCO)CCC1)c1ccco1 ZINC000130988103 358655497 /nfs/dbraw/zinc/65/54/97/358655497.db2.gz IZZGGMTYBSPTDU-LLVKDONJSA-N 0 3 223.316 2.483 10 0 BEAEHN CC[C@@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000131147729 358663218 /nfs/dbraw/zinc/66/32/18/358663218.db2.gz UFJZQXIIDIRUCI-SNVBAGLBSA-N 0 3 232.327 2.317 10 0 BEAEHN CC[C@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000131147976 358663478 /nfs/dbraw/zinc/66/34/78/358663478.db2.gz UFJZQXIIDIRUCI-JTQLQIEISA-N 0 3 232.327 2.317 10 0 BEAEHN COC(=O)c1coc(CN[C@@H]2CC[C@H](C)C2)c1 ZINC000131277351 358667477 /nfs/dbraw/zinc/66/74/77/358667477.db2.gz QDIUKKIPIGMVOJ-GXSJLCMTSA-N 0 3 237.299 2.344 10 0 BEAEHN C[C@H]1SCC[C@]12N[C@H](C)CCS2 ZINC000300353918 358972002 /nfs/dbraw/zinc/97/20/02/358972002.db2.gz ZOCHYJOOHQLBNQ-IWSPIJDZSA-N 0 3 203.376 2.323 10 0 BEAEHN CCN1CCC[C@@H](N[C@H](C)c2nccs2)C1 ZINC000247078339 359192278 /nfs/dbraw/zinc/19/22/78/359192278.db2.gz UBMZEMYVHZNBEY-GHMZBOCLSA-N 0 3 239.388 2.278 10 0 BEAEHN CCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248087882 359253010 /nfs/dbraw/zinc/25/30/10/359253010.db2.gz SYDDIGFZSNQYMV-HIFRSBDPSA-N 0 3 246.354 2.348 10 0 BEAEHN CCN1CC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000306204273 359294348 /nfs/dbraw/zinc/29/43/48/359294348.db2.gz NDRHWMDDIBHLPN-SECBINFHSA-N 0 3 225.723 2.241 10 0 BEAEHN CCNC(=O)CCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000248338659 359265964 /nfs/dbraw/zinc/26/59/64/359265964.db2.gz HWWAAKFGFGQFDV-DOMZBBRYSA-N 0 3 246.354 2.206 10 0 BEAEHN CCNc1nc(C)c(CNC)cc1Cl ZINC000306229326 359360331 /nfs/dbraw/zinc/36/03/31/359360331.db2.gz IEYYCBVRPFQOFM-UHFFFAOYSA-N 0 3 213.712 2.195 10 0 BEAEHN CO[C@@](C)(CN)c1c(F)cccc1Cl ZINC000306262772 359483132 /nfs/dbraw/zinc/48/31/32/359483132.db2.gz XUHLJASBGDMWTO-JTQLQIEISA-N 0 3 217.671 2.299 10 0 BEAEHN FC(F)(F)[C@@H]1CCC[C@@H]1NC1CSC1 ZINC000306268542 359490096 /nfs/dbraw/zinc/49/00/96/359490096.db2.gz KARHIILJFOJMIE-SFYZADRCSA-N 0 3 225.279 2.422 10 0 BEAEHN CC1Oc2c(cc(Cl)cc2F)C1=O ZINC000306325532 359608670 /nfs/dbraw/zinc/60/86/70/359608670.db2.gz HQTFBKMCPPVCCD-BYPYZUCNSA-N 0 3 200.596 2.443 10 0 BEAEHN N[C@@H](c1ccsc1Cl)[C@H]1CCOC1 ZINC000306348018 359667594 /nfs/dbraw/zinc/66/75/94/359667594.db2.gz FYHDENZXAITUDF-POYBYMJQSA-N 0 3 217.721 2.438 10 0 BEAEHN C[C@@H]1CSC[C@@]12NC[C@@H](C)CS2 ZINC000306349154 359669954 /nfs/dbraw/zinc/66/99/54/359669954.db2.gz JFALHFAUEYJNTO-HLTSFMKQSA-N 0 3 203.376 2.038 10 0 BEAEHN CSC1([C@H]2NC(C)(C)CS2)CC1 ZINC000306378269 359718030 /nfs/dbraw/zinc/71/80/30/359718030.db2.gz OQOCOPRYTDISCA-ZETCQYMHSA-N 0 3 203.376 2.323 10 0 BEAEHN OC[C@@H]1C[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000380171604 359751338 /nfs/dbraw/zinc/75/13/38/359751338.db2.gz HLSPRHVCMVZHFJ-GZMMTYOYSA-N 0 3 246.137 2.464 10 0 BEAEHN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)C1CCC1 ZINC000090227141 360067109 /nfs/dbraw/zinc/06/71/09/360067109.db2.gz KOJUOGQFIDNDLE-BXKDBHETSA-N 0 3 234.347 2.200 10 0 BEAEHN Cc1oncc1[C@H](C)N[C@@H]1CCSC1 ZINC000306476099 360110509 /nfs/dbraw/zinc/11/05/09/360110509.db2.gz XPFYGTRLNZHICX-IONNQARKSA-N 0 3 212.318 2.139 10 0 BEAEHN CC(C)C[C@H]1CCN([C@@H]2CCCC2=O)C1 ZINC000306478866 360117216 /nfs/dbraw/zinc/11/72/16/360117216.db2.gz CWSYROWYSFQCAM-VXGBXAGGSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@@H]1CCN(Cc2cc[nH]c2)C[C@@H]1n1ccnc1 ZINC000091960647 360138358 /nfs/dbraw/zinc/13/83/58/360138358.db2.gz NDKNSLMEBJESOY-OCCSQVGLSA-N 0 3 244.342 2.294 10 0 BEAEHN COc1ccc([C@@H]2CCN2)c(Br)c1 ZINC000306490213 360197416 /nfs/dbraw/zinc/19/74/16/360197416.db2.gz YIWCYEBVJTZMFA-JTQLQIEISA-N 0 3 242.116 2.492 10 0 BEAEHN Cn1cccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000092811010 360201698 /nfs/dbraw/zinc/20/16/98/360201698.db2.gz LNPCLNJJTJKCDX-UHFFFAOYSA-N 0 3 244.342 2.128 10 0 BEAEHN c1cc(CN2CCC(n3cncn3)CC2)cs1 ZINC000092648220 360187797 /nfs/dbraw/zinc/18/77/97/360187797.db2.gz JWRQQCBXMUWTMW-UHFFFAOYSA-N 0 3 248.355 2.177 10 0 BEAEHN CC[C@H](C)CN[C@@H]1CCCn2c(C)nnc21 ZINC000093079926 360215024 /nfs/dbraw/zinc/21/50/24/360215024.db2.gz UIZSFFBQYPWYGA-GXSJLCMTSA-N 0 3 222.336 2.057 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2NC[C@H](C)CC ZINC000093081599 360215029 /nfs/dbraw/zinc/21/50/29/360215029.db2.gz FHTFJOLUDPLPGR-MNOVXSKESA-N 0 3 236.363 2.311 10 0 BEAEHN C[C@@]1(F)CCN([C@@H]2CCCSC2)C1 ZINC000306517431 360344795 /nfs/dbraw/zinc/34/47/95/360344795.db2.gz BBEGOAHSDRRLSR-NXEZZACHSA-N 0 3 203.326 2.316 10 0 BEAEHN CCCN[C@@H](C)c1cn(C2CCCC2)nn1 ZINC000380974629 360325109 /nfs/dbraw/zinc/32/51/09/360325109.db2.gz BENFFGDALPZOAR-JTQLQIEISA-N 0 3 222.336 2.454 10 0 BEAEHN CSC[C@@H](N)c1c(F)cccc1F ZINC000069759096 360396147 /nfs/dbraw/zinc/39/61/47/360396147.db2.gz JIAKRENVCJUWBZ-MRVPVSSYSA-N 0 3 203.257 2.328 10 0 BEAEHN C[C@H]1CSCCN([C@H]2CCCCC2=O)C1 ZINC000306566736 360446134 /nfs/dbraw/zinc/44/61/34/360446134.db2.gz YWZJTPXIUCZWDR-MNOVXSKESA-N 0 3 227.373 2.183 10 0 BEAEHN FCCCNC1=N[C@@H]2CCC[C@@H]2CS1 ZINC000306545834 360414740 /nfs/dbraw/zinc/41/47/40/360414740.db2.gz WDSIOFDOKRRNEU-RKDXNWHRSA-N 0 3 216.325 2.207 10 0 BEAEHN N[C@H](C[C@H]1CCOC1)c1sccc1F ZINC000306586404 360484862 /nfs/dbraw/zinc/48/48/62/360484862.db2.gz RIFZWSMFKXXUSQ-VXNVDRBHSA-N 0 3 215.293 2.314 10 0 BEAEHN N[C@H](C[C@@H]1CCCCO1)c1ccns1 ZINC000306592126 360509895 /nfs/dbraw/zinc/50/98/95/360509895.db2.gz WBXCFXLXNIPESB-DTWKUNHWSA-N 0 3 212.318 2.102 10 0 BEAEHN CC[C@@H](OC)[C@H]1NCCc2sccc21 ZINC000306592273 360510512 /nfs/dbraw/zinc/51/05/12/360510512.db2.gz ZLKNDBSXPACHHP-KOLCDFICSA-N 0 3 211.330 2.360 10 0 BEAEHN N[C@H](CO)c1cc(Cl)sc1Cl ZINC000306598426 360518250 /nfs/dbraw/zinc/51/82/50/360518250.db2.gz XPKNIRMWWUDDGK-SCSAIBSYSA-N 0 3 212.101 2.047 10 0 BEAEHN N[C@H]1CCC[S@@](=O)c2c(Cl)cccc21 ZINC000040973850 360982989 /nfs/dbraw/zinc/98/29/89/360982989.db2.gz BASJHFHBNVWQNC-XPTSAGLGSA-N 0 3 229.732 2.241 10 0 BEAEHN C[C@@H]1CCC[C@@H](NCc2cnns2)C1 ZINC000306617401 361173451 /nfs/dbraw/zinc/17/34/51/361173451.db2.gz QOGZDRMAFHGVOT-RKDXNWHRSA-N 0 3 211.334 2.206 10 0 BEAEHN CC1(C)CN([C@H](CN)c2cccs2)C1 ZINC000306621039 361230718 /nfs/dbraw/zinc/23/07/18/361230718.db2.gz YSZQRRACVBPHMT-SECBINFHSA-N 0 3 210.346 2.090 10 0 BEAEHN NC1(c2nc3c(s2)CCCC3)CCC1 ZINC000041060196 361240719 /nfs/dbraw/zinc/24/07/19/361240719.db2.gz AXNRNKMXJHAPBQ-UHFFFAOYSA-N 0 3 208.330 2.360 10 0 BEAEHN NC1(c2cccc(Br)n2)CCC1 ZINC000083323835 181333963 /nfs/dbraw/zinc/33/39/63/181333963.db2.gz INABNGYGXWYYHU-UHFFFAOYSA-N 0 3 227.105 2.182 10 0 BEAEHN NC1(c2nc3cc[nH]cc-3n2)CCCCC1 ZINC000070801463 181335221 /nfs/dbraw/zinc/33/52/21/181335221.db2.gz WJFAEBLRJAFWKB-UHFFFAOYSA-N 0 3 216.288 2.076 10 0 BEAEHN CN(C)Cc1ccc(N)c(Br)c1 ZINC000070602350 361587866 /nfs/dbraw/zinc/58/78/66/361587866.db2.gz WGDLZFNHPLCVSU-UHFFFAOYSA-N 0 3 229.121 2.093 10 0 BEAEHN CC1Oc2c(ccc(Cl)c2F)C1=O ZINC000130678479 364026706 /nfs/dbraw/zinc/02/67/06/364026706.db2.gz VXIPFJBCSBXQJD-BYPYZUCNSA-N 0 3 200.596 2.443 10 0 BEAEHN CC[C@@H]1CC[C@H](C)N1C[C@H](O)C(F)(F)F ZINC000136404445 364470117 /nfs/dbraw/zinc/47/01/17/364470117.db2.gz GANJIOAVRHWMLC-YIZRAAEISA-N 0 3 225.254 2.173 10 0 BEAEHN CC(C)C[C@H](C)CC(=O)N1CC[C@H](N(C)C)C1 ZINC000170868573 364546858 /nfs/dbraw/zinc/54/68/58/364546858.db2.gz DJFDXFVSDUOVMQ-STQMWFEESA-N 0 3 240.391 2.221 10 0 BEAEHN COC(=O)C[C@H](N)c1ccc(OC(C)C)cc1 ZINC000037742818 364574299 /nfs/dbraw/zinc/57/42/99/364574299.db2.gz UQFMSNLYKARJDH-LBPRGKRZSA-N 0 3 237.299 2.037 10 0 BEAEHN CC[C@H](C)[C@H](C)NCc1nnc(C(C)C)n1C ZINC000183054756 366970652 /nfs/dbraw/zinc/97/06/52/366970652.db2.gz OUPKIYNUZZPZLC-QWRGUYRKSA-N 0 3 238.379 2.463 10 0 BEAEHN Cc1cc(F)ccc1CN1CCC[C@@H](O)[C@@H]1C ZINC000385107649 367792315 /nfs/dbraw/zinc/79/23/15/367792315.db2.gz CJWNWCGHJUHALP-SMDDNHRTSA-N 0 3 237.318 2.479 10 0 BEAEHN CCC[C@H](N)C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000399512321 368170554 /nfs/dbraw/zinc/17/05/54/368170554.db2.gz LUJJCIBBFTXKJK-QWRGUYRKSA-N 0 3 228.380 2.254 10 0 BEAEHN CCOC(CC(=N)c1ccncc1)OCC ZINC000224947109 368368355 /nfs/dbraw/zinc/36/83/55/368368355.db2.gz OVNIIHHHUWQHRZ-UHFFFAOYSA-N 0 3 222.288 2.239 10 0 BEAEHN O=C1[N-]C(=S)OC1c1cccc2ccccc21 ZINC000039193514 368328790 /nfs/dbraw/zinc/32/87/90/368328790.db2.gz XANGJMDFCYLTED-NSHDSACASA-N 0 3 243.287 2.312 10 0 BEAEHN O=C1NC(=S)OC1c1cccc2ccccc21 ZINC000039193514 368328795 /nfs/dbraw/zinc/32/87/95/368328795.db2.gz XANGJMDFCYLTED-NSHDSACASA-N 0 3 243.287 2.312 10 0 BEAEHN CCCCN[C@H](Cc1ccccc1)NC(C)=O ZINC000048564399 368379267 /nfs/dbraw/zinc/37/92/67/368379267.db2.gz LQYLBYHPYXOACN-AWEZNQCLSA-N 0 3 234.343 2.081 10 0 BEAEHN CC1CCN(CCN2CCS[C@@H](C)C2)CC1 ZINC000153772337 326112555 /nfs/dbraw/zinc/11/25/55/326112555.db2.gz ZAGPSBJOUIZLCZ-ZDUSSCGKSA-N 0 3 242.432 2.156 10 0 BEAEHN CC(C)(C)CNCc1cn2c(n1)CCCC2 ZINC000066992112 368672304 /nfs/dbraw/zinc/67/23/04/368672304.db2.gz IJKHNQPJNFYWSH-UHFFFAOYSA-N 0 3 221.348 2.355 10 0 BEAEHN CCO[C@H](C1=NC[C@H](C)N1)c1ccccc1 ZINC000002010282 368734937 /nfs/dbraw/zinc/73/49/37/368734937.db2.gz QQBOGZMGQOAYOZ-JQWIXIFHSA-N 0 3 218.300 2.154 10 0 BEAEHN Fc1ccc(-c2ccn3c2CNCC3)cc1 ZINC000083990899 368846219 /nfs/dbraw/zinc/84/62/19/368846219.db2.gz CFAMYWHCKWTKRP-UHFFFAOYSA-N 0 3 216.259 2.397 10 0 BEAEHN Cc1ccc([C@H](CN)NCc2ccccc2)o1 ZINC000106024210 369077185 /nfs/dbraw/zinc/07/71/85/369077185.db2.gz KMNTUYARFLOHAE-ZDUSSCGKSA-N 0 3 230.311 2.378 10 0 BEAEHN Cc1ccc([C@@H](CN)NCc2ccccc2)o1 ZINC000106024207 369077635 /nfs/dbraw/zinc/07/76/35/369077635.db2.gz KMNTUYARFLOHAE-CYBMUJFWSA-N 0 3 230.311 2.378 10 0 BEAEHN Cc1cc(CN[C@H](CC(C)C)CN(C)C)no1 ZINC000459418328 203278667 /nfs/dbraw/zinc/27/86/67/203278667.db2.gz ZVSLDOQMWVPHRT-CYBMUJFWSA-N 0 3 239.363 2.049 10 0 BEAEHN C[C@@H]1C[C@](O)(c2cccs2)CCN1C ZINC000107151963 369310681 /nfs/dbraw/zinc/31/06/81/369310681.db2.gz XBHAEMOWEVBSCR-KOLCDFICSA-N 0 3 211.330 2.050 10 0 BEAEHN NCc1cnc2c(Br)cccc2c1 ZINC000062618307 181493538 /nfs/dbraw/zinc/49/35/38/181493538.db2.gz ZKEFOJVZMODIEB-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN NCc1cnc(C(F)(F)F)cc1Cl ZINC000095768371 181494200 /nfs/dbraw/zinc/49/42/00/181494200.db2.gz FKQCHXWHGJGGKO-UHFFFAOYSA-N 0 3 210.586 2.213 10 0 BEAEHN C[C@H](NCc1cncc(Cl)c1)[C@H]1CCCO1 ZINC000621277314 370207673 /nfs/dbraw/zinc/20/76/73/370207673.db2.gz GWBHHIPNVUBFAQ-JOYOIKCWSA-N 0 3 240.734 2.392 10 0 BEAEHN N[C@H](Cc1cccc(F)c1)c1ccccn1 ZINC000037466350 181625552 /nfs/dbraw/zinc/62/55/52/181625552.db2.gz CHIQXUWVIFUMNG-GFCCVEGCSA-N 0 3 216.259 2.463 10 0 BEAEHN C[C@H]1Oc2c(c(Br)ccc2F)[C@@H]1N ZINC000126647965 371541431 /nfs/dbraw/zinc/54/14/31/371541431.db2.gz QJQBPIKIGUJIRZ-SPGJFGJESA-N 0 3 246.079 2.369 10 0 BEAEHN CCCC(=O)[C@@H]1CNCc2ccccc21 ZINC000226387739 371658439 /nfs/dbraw/zinc/65/84/39/371658439.db2.gz MXCGJXQPOWBQFU-GFCCVEGCSA-N 0 3 203.285 2.243 10 0 BEAEHN N[C@@H](c1cscn1)C1CCSCC1 ZINC000401706828 371800711 /nfs/dbraw/zinc/80/07/11/371800711.db2.gz QZAURDVUGQRAIK-SECBINFHSA-N 0 3 214.359 2.286 10 0 BEAEHN CCOC(=O)C[C@H](N)c1ccc(Cl)cc1F ZINC000163018059 371911495 /nfs/dbraw/zinc/91/14/95/371911495.db2.gz OGDRHNSAJJVVHU-JTQLQIEISA-N 0 3 245.681 2.432 10 0 BEAEHN Cc1sccc1C(=O)[C@]1(C)CCCN1 ZINC000227881016 371955148 /nfs/dbraw/zinc/95/51/48/371955148.db2.gz FWEYPPCXTBDHRT-NSHDSACASA-N 0 3 209.314 2.381 10 0 BEAEHN C[C@@H]1C[C@@]1(N)c1ncccc1Br ZINC000133346598 372027764 /nfs/dbraw/zinc/02/77/64/372027764.db2.gz DBOVGACUNPMBNY-MUWHJKNJSA-N 0 3 227.105 2.038 10 0 BEAEHN CCONC1CCN(Cc2ccccc2)CC1 ZINC000133427768 372046860 /nfs/dbraw/zinc/04/68/60/372046860.db2.gz NPICUBKXUCLBDT-UHFFFAOYSA-N 0 3 234.343 2.192 10 0 BEAEHN N[C@@H](c1cnsc1)[C@H]1CCCS1 ZINC000405010334 372130597 /nfs/dbraw/zinc/13/05/97/372130597.db2.gz OEYKLQBCWHFRRW-SFYZADRCSA-N 0 3 200.332 2.039 10 0 BEAEHN Cc1ccsc1[C@H]1CNC(C)(C)CO1 ZINC000069636492 373563523 /nfs/dbraw/zinc/56/35/23/373563523.db2.gz QROCJKQLKQCHJU-SECBINFHSA-N 0 3 211.330 2.496 10 0 BEAEHN C[C@H](N)c1csc([C@@H]2CCCOC2)n1 ZINC000070842461 374205065 /nfs/dbraw/zinc/20/50/65/374205065.db2.gz CXEWNTJOWDLQKO-JGVFFNPUSA-N 0 3 212.318 2.057 10 0 BEAEHN c1cncc(O[C@@H]2CCN(C3CCC3)C2)c1 ZINC000178999197 134313957 /nfs/dbraw/zinc/31/39/57/134313957.db2.gz TXAGYMDFWAWOHX-CYBMUJFWSA-N 0 3 218.300 2.087 10 0 BEAEHN OC1C[C@H]2CC[C@@H](C1)N2Cc1cnoc1C1CC1 ZINC000371451201 183031920 /nfs/dbraw/zinc/03/19/20/183031920.db2.gz QVIAGAPPTHXGTB-FUNVUKJBSA-N 0 3 248.326 2.040 10 0 BEAEHN OCCC[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000006117805 183064896 /nfs/dbraw/zinc/06/48/96/183064896.db2.gz XQJOQBSYNVJACP-CYBMUJFWSA-N 0 3 230.311 2.127 10 0 BEAEHN CCCN(C(=O)[C@@H]1CCC[C@H](C)N1)C(C)C ZINC000037096441 169045257 /nfs/dbraw/zinc/04/52/57/169045257.db2.gz BQOWKQABNGKELA-RYUDHWBXSA-N 0 3 226.364 2.164 10 0 BEAEHN OC[C@H]1CCCCN(Cc2ccc(F)cc2)C1 ZINC000374048564 183146088 /nfs/dbraw/zinc/14/60/88/183146088.db2.gz FSRHVZTWRUHBIT-ZDUSSCGKSA-N 0 3 237.318 2.420 10 0 BEAEHN O[C@@H]1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000041225892 183200788 /nfs/dbraw/zinc/20/07/88/183200788.db2.gz JIKYCLGMRKFQKM-GHMZBOCLSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@@H]1CCCN[C@@H]1c1cccc(Cl)c1 ZINC000060114278 183193098 /nfs/dbraw/zinc/19/30/98/183193098.db2.gz FWZXKAJWPUSUIW-GHMZBOCLSA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H](CN1CCCSCC1)c1ccccc1 ZINC000042444414 183219869 /nfs/dbraw/zinc/21/98/69/183219869.db2.gz FSWNAZVHAUJDLP-CYBMUJFWSA-N 0 3 237.368 2.159 10 0 BEAEHN O[C@H]1CCCC[C@@H]1N1CCc2c(F)cccc2C1 ZINC000119454106 183231244 /nfs/dbraw/zinc/23/12/44/183231244.db2.gz IOJNABXQWLBDSB-GJZGRUSLSA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H](c1ccccc1)[C@H]1CC2CCN1CC2 ZINC000029489163 183229759 /nfs/dbraw/zinc/22/97/59/183229759.db2.gz PWPTXBISWPQFLV-ZIAGYGMSSA-N 0 3 217.312 2.204 10 0 BEAEHN CCCN(C)c1nc(C)c([C@@H](C)N)s1 ZINC000054894968 169089977 /nfs/dbraw/zinc/08/99/77/169089977.db2.gz GZDIDHBNMKEBPU-SSDOTTSWSA-N 0 3 213.350 2.317 10 0 BEAEHN O[C@H]1CCCCC[C@H]1NCc1ccco1 ZINC000037882856 183231727 /nfs/dbraw/zinc/23/17/27/183231727.db2.gz OKDIDOCYEGKMSY-NEPJUHHUSA-N 0 3 209.289 2.063 10 0 BEAEHN O[C@@H]1c2ccccc2OC[C@H]1N1CCCCCC1 ZINC000044118084 183214247 /nfs/dbraw/zinc/21/42/47/183214247.db2.gz XCDLIDGAXCYDRT-UKRRQHHQSA-N 0 3 247.338 2.357 10 0 BEAEHN O[C@H]1CCC[C@H]1NCc1ccc(Cl)s1 ZINC000070599983 183238234 /nfs/dbraw/zinc/23/82/34/183238234.db2.gz KGLZHZRUSWCCCQ-BDAKNGLRSA-N 0 3 231.748 2.405 10 0 BEAEHN O[C@H]1CCN[C@H](c2ccccc2Cl)C1 ZINC000041225878 183240909 /nfs/dbraw/zinc/24/09/09/183240909.db2.gz JPIKAVDNAZTEIW-KWQFWETISA-N 0 3 211.692 2.125 10 0 BEAEHN O[C@H]1CCc2c1cccc2OCCN1CCCC1 ZINC000062800432 183242071 /nfs/dbraw/zinc/24/20/71/183242071.db2.gz LAACCLJOUSSEKO-AWEZNQCLSA-N 0 3 247.338 2.141 10 0 BEAEHN O[C@H]1CCCC[C@H]1N1CCc2cc(F)ccc2C1 ZINC000091893216 183232470 /nfs/dbraw/zinc/23/24/70/183232470.db2.gz JXISTLHYOWWFOK-CABCVRRESA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000051996319 183233847 /nfs/dbraw/zinc/23/38/47/183233847.db2.gz XCEUODVXDNSYHI-ZJUUUORDSA-N 0 3 229.707 2.326 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2cccc(F)c2F)C1 ZINC000104238345 183236775 /nfs/dbraw/zinc/23/67/75/183236775.db2.gz UVBRAHASPKQPHQ-QWRGUYRKSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCC[C@H]1CNCc1cc(F)ccc1F ZINC000089165489 183237768 /nfs/dbraw/zinc/23/77/68/183237768.db2.gz ZGFDPMCKXBVAGW-ZANVPECISA-N 0 3 241.281 2.215 10 0 BEAEHN CCCN(CCC)C(=O)[C@@H]1CCC[C@H](C)N1 ZINC000019432146 169143920 /nfs/dbraw/zinc/14/39/20/169143920.db2.gz HBHXGDJOWYECMX-RYUDHWBXSA-N 0 3 226.364 2.166 10 0 BEAEHN c1c[nH]c(CNCc2ccc3c(c2)OCCO3)c1 ZINC000048436295 183325089 /nfs/dbraw/zinc/32/50/89/183325089.db2.gz CDCBWAWUVHULTC-UHFFFAOYSA-N 0 3 244.294 2.076 10 0 BEAEHN CCCNC1(c2nc(C)cs2)CCOCC1 ZINC000041061379 169254521 /nfs/dbraw/zinc/25/45/21/169254521.db2.gz LNTLETJTEHLKMQ-UHFFFAOYSA-N 0 3 240.372 2.457 10 0 BEAEHN c1cc2c3c(n4c2c(c1)CNCC4)CCC3 ZINC000026576077 183372893 /nfs/dbraw/zinc/37/28/93/183372893.db2.gz DPHFYUMHDPCCRU-UHFFFAOYSA-N 0 3 212.296 2.233 10 0 BEAEHN c1cc2nc([C@@H]3CCCCN3)ccc2[nH]1 ZINC000089220989 183376783 /nfs/dbraw/zinc/37/67/83/183376783.db2.gz WSQYWGOYKYQFQI-VIFPVBQESA-N 0 3 201.273 2.378 10 0 BEAEHN CCCN[C@H](CC1CCOCC1)c1cnccn1 ZINC000053828893 169289357 /nfs/dbraw/zinc/28/93/57/169289357.db2.gz CLNWTFHKUKSNFT-CYBMUJFWSA-N 0 3 249.358 2.334 10 0 BEAEHN CCCNCc1cccnc1N1CC[C@H](C)C1 ZINC000051448269 169268021 /nfs/dbraw/zinc/26/80/21/169268021.db2.gz MFIOBOUFSFAVSW-LBPRGKRZSA-N 0 3 233.359 2.427 10 0 BEAEHN CCCNCc1ccnc(-c2ncccc2C)n1 ZINC000054791454 169268324 /nfs/dbraw/zinc/26/83/24/169268324.db2.gz GTBFWEHPIJJVAB-UHFFFAOYSA-N 0 3 242.326 2.347 10 0 BEAEHN CCCNCc1occc1COCCCOC ZINC000052597623 169268888 /nfs/dbraw/zinc/26/88/88/169268888.db2.gz YNPQZDSJQFBFLT-UHFFFAOYSA-N 0 3 241.331 2.332 10 0 BEAEHN CCCNCc1sc(CC)nc1COC ZINC000082441311 169268964 /nfs/dbraw/zinc/26/89/64/169268964.db2.gz VIDMWPMIFLIZSA-UHFFFAOYSA-N 0 3 228.361 2.352 10 0 BEAEHN CCCNCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000044624167 169269797 /nfs/dbraw/zinc/26/97/97/169269797.db2.gz LTRADNCXMCMLOX-UHFFFAOYSA-N 0 3 249.314 2.080 10 0 BEAEHN CCCO[C@@H]1CCc2ccccc2[C@H]1N ZINC000037024945 169311794 /nfs/dbraw/zinc/31/17/94/169311794.db2.gz JZNIIDPUPMUCPZ-CHWSQXEVSA-N 0 3 205.301 2.428 10 0 BEAEHN CCCO[C@@H]1CCc2ccccc2[C@@H]1N ZINC000037024941 169312376 /nfs/dbraw/zinc/31/23/76/169312376.db2.gz JZNIIDPUPMUCPZ-OLZOCXBDSA-N 0 3 205.301 2.428 10 0 BEAEHN CCCOc1c(CN)cnc2ccccc21 ZINC000036913756 169313670 /nfs/dbraw/zinc/31/36/70/169313670.db2.gz JFCKAUVCERPSAW-UHFFFAOYSA-N 0 3 216.284 2.482 10 0 BEAEHN CCCOc1c(OC)cc(CNC)cc1OC ZINC000035662987 169313894 /nfs/dbraw/zinc/31/38/94/169313894.db2.gz UXYVBTWXDJKQOK-UHFFFAOYSA-N 0 3 239.315 2.212 10 0 BEAEHN CCCOc1ccc(-c2ccc(=NN)[nH]n2)cc1 ZINC000050194158 169316681 /nfs/dbraw/zinc/31/66/81/169316681.db2.gz FBXPRZMIEJPBDR-UHFFFAOYSA-N 0 3 244.298 2.218 10 0 BEAEHN CCCN[C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647800 169291404 /nfs/dbraw/zinc/29/14/04/169291404.db2.gz YEONQCPPXLGMSY-AWEZNQCLSA-N 0 3 246.354 2.408 10 0 BEAEHN CCCOc1ccc(C(=O)[C@H](C)NC)cc1 ZINC000041610350 169317049 /nfs/dbraw/zinc/31/70/49/169317049.db2.gz IDJVWUDZACURCL-JTQLQIEISA-N 0 3 221.300 2.266 10 0 BEAEHN CCCSCc1ncc(CN)s1 ZINC000082416541 169340388 /nfs/dbraw/zinc/34/03/88/169340388.db2.gz HXHXYRLLQJKCEP-UHFFFAOYSA-N 0 3 202.348 2.245 10 0 BEAEHN CCCOc1ccc([C@@H](N)Cn2cccn2)cc1 ZINC000019254896 169321447 /nfs/dbraw/zinc/32/14/47/169321447.db2.gz VKCNCBNHUZEWCA-AWEZNQCLSA-N 0 3 245.326 2.372 10 0 BEAEHN CCCOc1ccc([C@H](O)CCN(C)C)cc1 ZINC000041145962 169322396 /nfs/dbraw/zinc/32/23/96/169322396.db2.gz SXABRNRUEXPCLH-CQSZACIVSA-N 0 3 237.343 2.461 10 0 BEAEHN CCCOc1ccc([C@H](N)Cn2cccn2)cc1 ZINC000019254898 169322570 /nfs/dbraw/zinc/32/25/70/169322570.db2.gz VKCNCBNHUZEWCA-CQSZACIVSA-N 0 3 245.326 2.372 10 0 BEAEHN CCCOc1cccc2c1O[C@@H](C)[C@@H]2N ZINC000043635043 169326527 /nfs/dbraw/zinc/32/65/27/169326527.db2.gz VLOVKLORUIHLOS-KWQFWETISA-N 0 3 207.273 2.256 10 0 BEAEHN CCCOc1cccc2c1OC[C@@H]2NC ZINC000035655256 169326651 /nfs/dbraw/zinc/32/66/51/169326651.db2.gz CRAMDXIHUCVXIW-JTQLQIEISA-N 0 3 207.273 2.128 10 0 BEAEHN CCC[C@@H](N)C(=O)N(C)[C@H](C)CC(C)C ZINC000037807332 169387241 /nfs/dbraw/zinc/38/72/41/169387241.db2.gz WYAHNZWIXDYMGM-GHMZBOCLSA-N 0 3 214.353 2.007 10 0 BEAEHN CCC[C@@H](N)c1nc(-c2cccs2)n[nH]1 ZINC000054700303 169394125 /nfs/dbraw/zinc/39/41/25/169394125.db2.gz AMXNXKFYSJOSGF-SSDOTTSWSA-N 0 3 222.317 2.333 10 0 BEAEHN CCn1nc(C)c([C@H](C)NC[C@H](C)OC)c1C ZINC000223969175 134343608 /nfs/dbraw/zinc/34/36/08/134343608.db2.gz YZAUKBJTLGMREW-UWVGGRQHSA-N 0 3 239.363 2.205 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnn(CC(F)F)c1 ZINC000336714497 169534963 /nfs/dbraw/zinc/53/49/63/169534963.db2.gz RYXAIYDLCSUGRW-QWRGUYRKSA-N 0 3 243.301 2.426 10 0 BEAEHN COC1(CN2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000336419622 383836566 /nfs/dbraw/zinc/83/65/66/383836566.db2.gz YBVTUAVIIPNWTJ-VXGBXAGGSA-N 0 3 227.348 2.055 10 0 BEAEHN CCc1ccc([C@@H](C)NCC(=O)NC2CC2)cc1 ZINC000035132983 383831228 /nfs/dbraw/zinc/83/12/28/383831228.db2.gz ZAUWMSONGPHYEO-LLVKDONJSA-N 0 3 246.354 2.178 10 0 BEAEHN CC[C@H](N[C@H]1CCOC1)c1c(C)noc1C ZINC000131559864 383833868 /nfs/dbraw/zinc/83/38/68/383833868.db2.gz LSMILFBMAWTRQK-QWRGUYRKSA-N 0 3 224.304 2.121 10 0 BEAEHN NCc1cccc(NC(=O)N2CCCCC2)c1 ZINC000036720858 383907580 /nfs/dbraw/zinc/90/75/80/383907580.db2.gz VZKNMQDCOUZALW-UHFFFAOYSA-N 0 3 233.315 2.163 10 0 BEAEHN Cc1ccc([C@@H](C)NCC(=O)NC2CC2)cc1C ZINC000036782346 383911362 /nfs/dbraw/zinc/91/13/62/383911362.db2.gz GIZMVZZTWPMCIP-GFCCVEGCSA-N 0 3 246.354 2.233 10 0 BEAEHN N[C@@H](COC(F)(F)F)c1ccc(F)cc1 ZINC000068576565 384000004 /nfs/dbraw/zinc/00/00/04/384000004.db2.gz ATUOJAPWMKZKJZ-QMMMGPOBSA-N 0 3 223.169 2.362 10 0 BEAEHN N[C@H](COC(F)(F)F)c1ccc(F)cc1 ZINC000068576563 384000161 /nfs/dbraw/zinc/00/01/61/384000161.db2.gz ATUOJAPWMKZKJZ-MRVPVSSYSA-N 0 3 223.169 2.362 10 0 BEAEHN Cc1ccc([O-])c(C[NH2+]CCc2ccsc2)n1 ZINC000112716486 383945126 /nfs/dbraw/zinc/94/51/26/383945126.db2.gz ULGYDKQVIZVTMV-UHFFFAOYSA-N 0 3 248.351 2.489 10 0 BEAEHN NCc1ccc([C@H](O)c2ccsc2)s1 ZINC000090397629 384044441 /nfs/dbraw/zinc/04/44/41/384044441.db2.gz GEUUISKLTZNDTJ-SNVBAGLBSA-N 0 3 225.338 2.350 10 0 BEAEHN CN(C)C[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000090994270 384089528 /nfs/dbraw/zinc/08/95/28/384089528.db2.gz ASBUVUIGFNIVLE-OAHLLOKOSA-N 0 3 243.354 2.407 10 0 BEAEHN Cc1ccc([C@H](C)NC[C@H](O)COC(C)C)o1 ZINC000038097640 384071073 /nfs/dbraw/zinc/07/10/73/384071073.db2.gz BALNCZDQMVXALC-RYUDHWBXSA-N 0 3 241.331 2.025 10 0 BEAEHN CN(C)C[C@H]1c2cc(O)ccc2OC1(C)C ZINC000039110387 384105359 /nfs/dbraw/zinc/10/53/59/384105359.db2.gz CIGNZTOIDUDWON-NSHDSACASA-N 0 3 221.300 2.208 10 0 BEAEHN NCc1csc(CCc2ccccc2)n1 ZINC000042406968 384216918 /nfs/dbraw/zinc/21/69/18/384216918.db2.gz RDDFEYQFJDAJOD-UHFFFAOYSA-N 0 3 218.325 2.387 10 0 BEAEHN N[C@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC000075882227 384345450 /nfs/dbraw/zinc/34/54/50/384345450.db2.gz ZWVVBZKECWRDKB-QMMMGPOBSA-N 0 3 233.189 2.368 10 0 BEAEHN CC(C)N1CCCC[C@@H]1CNC(F)(F)F ZINC000095088273 384361191 /nfs/dbraw/zinc/36/11/91/384361191.db2.gz RHLZBUPWYMQHMY-SECBINFHSA-N 0 3 224.270 2.359 10 0 BEAEHN C[C@@H](N[C@@H](C)c1ccccc1F)[C@H](C)CO ZINC000134123305 384334721 /nfs/dbraw/zinc/33/47/21/384334721.db2.gz OLEZZXWKRHSMOL-MXWKQRLJSA-N 0 3 225.307 2.493 10 0 BEAEHN NCc1cc2cc(Br)ccc2cn1 ZINC000095934475 384412615 /nfs/dbraw/zinc/41/26/15/384412615.db2.gz FOUBSYHVJHYZLN-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN Cc1cnc(CCN2CCC[C@@H](O)[C@@H]2C)c(C)c1 ZINC000335642767 384419243 /nfs/dbraw/zinc/41/92/43/384419243.db2.gz IRWKMFXRWGETJU-DZGCQCFKSA-N 0 3 248.370 2.086 10 0 BEAEHN CC(C)(C)OC(=O)N1CCNCC12CCCC2 ZINC000095642297 384385811 /nfs/dbraw/zinc/38/58/11/384385811.db2.gz ZFRIOZGQSDKGRT-UHFFFAOYSA-N 0 3 240.347 2.140 10 0 BEAEHN C[C@H](CO)N(C)Cc1ccc2ccccc2n1 ZINC000135615387 384455779 /nfs/dbraw/zinc/45/57/79/384455779.db2.gz ABAKYZNVJONGSJ-LLVKDONJSA-N 0 3 230.311 2.047 10 0 BEAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000135300525 384435182 /nfs/dbraw/zinc/43/51/82/384435182.db2.gz UBSCRJBEUIZFKU-HOSYDEDBSA-N 0 3 249.310 2.243 10 0 BEAEHN CC[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000097044661 384491362 /nfs/dbraw/zinc/49/13/62/384491362.db2.gz AYMTYFLCEWPTPS-OCCSQVGLSA-N 0 3 248.370 2.452 10 0 BEAEHN Cc1csc([C@@]2(N)CCCSC2)n1 ZINC000061590694 384520350 /nfs/dbraw/zinc/52/03/50/384520350.db2.gz RFDHNWYZMZOFQE-SECBINFHSA-N 0 3 214.359 2.133 10 0 BEAEHN C[C@@H]1C[C@@H](O)CN(Cc2cccc(F)c2)C1 ZINC000334746000 384557948 /nfs/dbraw/zinc/55/79/48/384557948.db2.gz MQRFFHIJIGLGHS-ZWNOBZJWSA-N 0 3 223.291 2.028 10 0 BEAEHN CC[C@](C)(O)CN1CCc2ccc(F)cc2C1 ZINC000123685470 384579249 /nfs/dbraw/zinc/57/92/49/384579249.db2.gz PPHSXTAGSVWOHM-AWEZNQCLSA-N 0 3 237.318 2.345 10 0 BEAEHN Cc1cc(C)cc(CCNCc2ncc[nH]2)c1 ZINC000124056833 384611179 /nfs/dbraw/zinc/61/11/79/384611179.db2.gz BNBSJEMWCIHFJJ-UHFFFAOYSA-N 0 3 229.327 2.359 10 0 BEAEHN CC(C)[C@H](C)NCc1cnn(-c2ccccc2)n1 ZINC000020306290 384613753 /nfs/dbraw/zinc/61/37/53/384613753.db2.gz YPOCQUYHRNOSLH-LBPRGKRZSA-N 0 3 244.342 2.401 10 0 BEAEHN Cc1cccc([C@@H](C)N[C@H](C)C(=O)NC2CC2)c1 ZINC000160223913 384665771 /nfs/dbraw/zinc/66/57/71/384665771.db2.gz ZAYSTHHSEFVCPR-VXGBXAGGSA-N 0 3 246.354 2.313 10 0 BEAEHN CCc1ccc([C@@H](N)C2CCOCC2)o1 ZINC000061672293 384651780 /nfs/dbraw/zinc/65/17/80/384651780.db2.gz SPOCIDCEFGEMJV-LBPRGKRZSA-N 0 3 209.289 2.268 10 0 BEAEHN C[C@H](N)c1ncccc1NC(=O)OC(C)(C)C ZINC000238437203 384658523 /nfs/dbraw/zinc/65/85/23/384658523.db2.gz LBHVZPGKBCQRMV-QMMMGPOBSA-N 0 3 237.303 2.448 10 0 BEAEHN Cc1nnsc1CN[C@H]1CCC[C@@H]1CCF ZINC000309895568 384698018 /nfs/dbraw/zinc/69/80/18/384698018.db2.gz FUEYCPUAXDRDGP-ZJUUUORDSA-N 0 3 243.351 2.464 10 0 BEAEHN Cc1nnsc1CN[C@@H]1CCC[C@@H]1CCF ZINC000309895565 384698051 /nfs/dbraw/zinc/69/80/51/384698051.db2.gz FUEYCPUAXDRDGP-NXEZZACHSA-N 0 3 243.351 2.464 10 0 BEAEHN CSCCCN1CCC[C@@H]1c1cnn(C)c1 ZINC000173650724 384707902 /nfs/dbraw/zinc/70/79/02/384707902.db2.gz IINJVQYAWYPBJC-GFCCVEGCSA-N 0 3 239.388 2.310 10 0 BEAEHN C[C@H](NCC(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000021961556 384709283 /nfs/dbraw/zinc/70/92/83/384709283.db2.gz RMJGMAXAQOEQNO-JTQLQIEISA-N 0 3 234.343 2.120 10 0 BEAEHN CN[C@@H]1c2cc(OC)ccc2S[C@H]1C ZINC000043635777 384727711 /nfs/dbraw/zinc/72/77/11/384727711.db2.gz ZSUSJAPGVVAWIF-CPCISQLKSA-N 0 3 209.314 2.450 10 0 BEAEHN C[C@H]1Oc2ccc(Br)cc2[C@@H]1N ZINC000043635069 384720693 /nfs/dbraw/zinc/72/06/93/384720693.db2.gz UKVOIDKDARSJLE-MLUIRONXSA-N 0 3 228.089 2.230 10 0 BEAEHN CN[C@@H]1c2cccc(Br)c2O[C@H]1C ZINC000043634685 384722054 /nfs/dbraw/zinc/72/20/54/384722054.db2.gz TVLOVFRBPVEHKO-RCOVLWMOSA-N 0 3 242.116 2.491 10 0 BEAEHN C[C@H]1Oc2c(cc(F)cc2Br)[C@H]1N ZINC000043635010 384722319 /nfs/dbraw/zinc/72/23/19/384722319.db2.gz DSSJDNLFGWUGSY-VHWMUFPASA-N 0 3 246.079 2.369 10 0 BEAEHN CN[C@@H]1c2cc(Br)ccc2O[C@H]1C ZINC000043635073 384722492 /nfs/dbraw/zinc/72/24/92/384722492.db2.gz UMQWKRFDGMCMJB-WKEGUHRASA-N 0 3 242.116 2.491 10 0 BEAEHN CC(C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052852866 384750228 /nfs/dbraw/zinc/75/02/28/384750228.db2.gz SDLUVJBMFMRGAJ-ZDUSSCGKSA-N 0 3 234.343 2.062 10 0 BEAEHN C[C@@H](CO)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000083218362 384751612 /nfs/dbraw/zinc/75/16/12/384751612.db2.gz WIOTVJOXOPQTNT-BDAKNGLRSA-N 0 3 229.270 2.244 10 0 BEAEHN C[C@@H](CO)CN[C@H](C)c1cc(F)ccc1F ZINC000083215463 384752102 /nfs/dbraw/zinc/75/21/02/384752102.db2.gz DDAKQAVSPSANPX-RKDXNWHRSA-N 0 3 229.270 2.244 10 0 BEAEHN Cc1cnn([C@@H]2CCCN(C[C@@H]3CCCO3)C2)c1 ZINC000105900968 384815902 /nfs/dbraw/zinc/81/59/02/384815902.db2.gz UUFJOKAYXUBXFD-KGLIPLIRSA-N 0 3 249.358 2.007 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000048775661 384787645 /nfs/dbraw/zinc/78/76/45/384787645.db2.gz CUGDAKOCBVWXAG-ZCFIWIBFSA-N 0 3 230.670 2.026 10 0 BEAEHN CSC[C@@H](N)c1ccc(F)c(F)c1F ZINC000061838755 384790071 /nfs/dbraw/zinc/79/00/71/384790071.db2.gz OVNFQYFOAPRWOT-SSDOTTSWSA-N 0 3 221.247 2.467 10 0 BEAEHN CCC[C@@H]1CCC[C@H]1NCc1ccn(C)n1 ZINC000310038294 384805229 /nfs/dbraw/zinc/80/52/29/384805229.db2.gz VYKLFGNBUGJACF-DGCLKSJQSA-N 0 3 221.348 2.479 10 0 BEAEHN CCC[C@H]1CCC[C@H]1NCc1ccn(C)n1 ZINC000310038295 384805429 /nfs/dbraw/zinc/80/54/29/384805429.db2.gz VYKLFGNBUGJACF-WCQYABFASA-N 0 3 221.348 2.479 10 0 BEAEHN C[C@@H]1Sc2c(c(F)ccc2F)[C@@H]1N ZINC000043641005 384808040 /nfs/dbraw/zinc/80/80/40/384808040.db2.gz ZPWJGQHUSPVZDI-RNHFCUEFSA-N 0 3 201.241 2.459 10 0 BEAEHN CCC(C)(C)NC(=O)CN(C)C1CCCC1 ZINC000053436282 384858853 /nfs/dbraw/zinc/85/88/53/384858853.db2.gz QEKDRGRHEZCIOG-UHFFFAOYSA-N 0 3 226.364 2.166 10 0 BEAEHN CCSCC[C@@H](C)NCc1cncnc1 ZINC000127488576 384865684 /nfs/dbraw/zinc/86/56/84/384865684.db2.gz SODUTZUNWWKYGL-SNVBAGLBSA-N 0 3 225.361 2.098 10 0 BEAEHN Cc1csc(CN[C@H]2CCCC[C@@H]2CO)n1 ZINC000164268021 384952336 /nfs/dbraw/zinc/95/23/36/384952336.db2.gz WBUPVUASEKFPGM-MNOVXSKESA-N 0 3 240.372 2.092 10 0 BEAEHN CCOc1cc(C)c(CN)c(OCC)c1 ZINC000575720863 384896249 /nfs/dbraw/zinc/89/62/49/384896249.db2.gz BSAPIPQCLHEEPI-UHFFFAOYSA-N 0 3 209.289 2.251 10 0 BEAEHN CCOc1cc(CN)c(F)c(OCC)c1 ZINC000575721785 384898837 /nfs/dbraw/zinc/89/88/37/384898837.db2.gz UHYCQFVLSGCJEZ-UHFFFAOYSA-N 0 3 213.252 2.082 10 0 BEAEHN Cc1sccc1CN[C@@H]1CCO[C@H]1C ZINC000306430671 384941268 /nfs/dbraw/zinc/94/12/68/384941268.db2.gz QKOBIMSAUODISO-GZMMTYOYSA-N 0 3 211.330 2.324 10 0 BEAEHN Cc1cccc([C@H]2C[C@H](NC3COC3)C2)c1 ZINC000367896855 384941342 /nfs/dbraw/zinc/94/13/42/384941342.db2.gz PGOLMGWBSSCWJK-JOCQHMNTSA-N 0 3 217.312 2.229 10 0 BEAEHN C[C@H]1CC[C@H](O)CN1Cc1cccs1 ZINC000307333558 384989844 /nfs/dbraw/zinc/98/98/44/384989844.db2.gz QKXRZVHEHRMLLT-UWVGGRQHSA-N 0 3 211.330 2.093 10 0 BEAEHN Cc1cc(CN[C@@H](C)[C@@H]2CCCO2)sn1 ZINC000404460024 385003715 /nfs/dbraw/zinc/00/37/15/385003715.db2.gz NVEMVUVAMIJHEJ-ONGXEEELSA-N 0 3 226.345 2.109 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NCc1ccns1 ZINC000404463833 385012669 /nfs/dbraw/zinc/01/26/69/385012669.db2.gz VRPVWQCKPOONOH-LLVKDONJSA-N 0 3 241.404 2.209 10 0 BEAEHN F[C@@]1(c2occc2Br)CCNC1 ZINC000156420288 385054394 /nfs/dbraw/zinc/05/43/94/385054394.db2.gz DXSRVBJNRAJQPK-QMMMGPOBSA-N 0 3 234.068 2.200 10 0 BEAEHN CC[C@](C)(O)CN[C@H]1CCc2c1cccc2O ZINC000087012052 385064081 /nfs/dbraw/zinc/06/40/81/385064081.db2.gz VMRSNQLNODYRSL-JSGCOSHPSA-N 0 3 235.327 2.130 10 0 BEAEHN CC[C@](C)(O)CN1CCc2sccc2C1 ZINC000119399817 385089688 /nfs/dbraw/zinc/08/96/88/385089688.db2.gz WOVCJXCQNMXYFV-LBPRGKRZSA-N 0 3 225.357 2.267 10 0 BEAEHN CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000062706487 385182767 /nfs/dbraw/zinc/18/27/67/385182767.db2.gz DJYBVXIZWSJAIN-SSDOTTSWSA-N 0 3 201.191 2.311 10 0 BEAEHN CO[C@@H]1CCC12CCN(Cc1ccccn1)CC2 ZINC000257177195 385202459 /nfs/dbraw/zinc/20/24/59/385202459.db2.gz DLGDEATZDDDOBY-CQSZACIVSA-N 0 3 246.354 2.473 10 0 BEAEHN CC(C)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000107628647 385208153 /nfs/dbraw/zinc/20/81/53/385208153.db2.gz YLAQWFSQMLGYMW-ZDUSSCGKSA-N 0 3 238.375 2.119 10 0 BEAEHN CCOC[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000044688727 385219462 /nfs/dbraw/zinc/21/94/62/385219462.db2.gz WIMVCRJRCHVJAW-MNOVXSKESA-N 0 3 208.305 2.157 10 0 BEAEHN Clc1cc2c(c3ncccc13)OCCNC2 ZINC000096034723 385313755 /nfs/dbraw/zinc/31/37/55/385313755.db2.gz XYRSMTAIQBCXIJ-UHFFFAOYSA-N 0 3 234.686 2.370 10 0 BEAEHN Cc1ccc([C@H](C)NCCn2cncn2)cc1F ZINC000310989501 385263100 /nfs/dbraw/zinc/26/31/00/385263100.db2.gz HLIUURROXVMKFQ-NSHDSACASA-N 0 3 248.305 2.076 10 0 BEAEHN CCc1ccccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000153610980 385268227 /nfs/dbraw/zinc/26/82/27/385268227.db2.gz SJAGCAJKWUFWIC-CYBMUJFWSA-N 0 3 246.354 2.025 10 0 BEAEHN Cn1nccc1CNCCC1=CCCC1 ZINC000120153713 385268792 /nfs/dbraw/zinc/26/87/92/385268792.db2.gz ZYCWXOBTAQJENO-UHFFFAOYSA-N 0 3 205.305 2.010 10 0 BEAEHN C[C@H]1OCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000120115755 385269490 /nfs/dbraw/zinc/26/94/90/385269490.db2.gz GVPBUZVBFGGCSP-YUSALJHKSA-N 0 3 221.300 2.424 10 0 BEAEHN CCC[C@@H](C(=O)N[C@H](C)C1CCCC1)N(C)C ZINC000179326788 385375477 /nfs/dbraw/zinc/37/54/77/385375477.db2.gz GRAHJBKLJOGPOR-YPMHNXCESA-N 0 3 240.391 2.412 10 0 BEAEHN CC[C@@H](NC(=O)[C@H]1NCC1(C)C)c1ccccc1 ZINC000644016921 385378509 /nfs/dbraw/zinc/37/85/09/385378509.db2.gz MSKUMDKCEMPOPX-CHWSQXEVSA-N 0 3 246.354 2.252 10 0 BEAEHN Cc1cnn(CCN[C@H]2CCCc3occc32)c1 ZINC000192969187 385378526 /nfs/dbraw/zinc/37/85/26/385378526.db2.gz DXUJOYJYUWWOBA-ZDUSSCGKSA-N 0 3 245.326 2.452 10 0 BEAEHN Cc1nn(C(C)C)cc1CN[C@H]1C[C@H]1C ZINC000281447876 385435854 /nfs/dbraw/zinc/43/58/54/385435854.db2.gz SPJUJMBVHFLUOC-SKDRFNHKSA-N 0 3 207.321 2.270 10 0 BEAEHN C[C@H]1CC(CNCc2cscn2)C[C@H](C)O1 ZINC000282055816 385492883 /nfs/dbraw/zinc/49/28/83/385492883.db2.gz AZCYHSZIRQZYGD-UWVGGRQHSA-N 0 3 240.372 2.436 10 0 BEAEHN O[C@@H]1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000037164551 385596985 /nfs/dbraw/zinc/59/69/85/385596985.db2.gz FZAABRAAHNYLIW-WDEREUQCSA-N 0 3 241.281 2.358 10 0 BEAEHN O[C@H]1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000037164545 385597561 /nfs/dbraw/zinc/59/75/61/385597561.db2.gz FZAABRAAHNYLIW-QWRGUYRKSA-N 0 3 241.281 2.358 10 0 BEAEHN c1nc(CNC[C@@H]2CC23CCOCC3)cs1 ZINC000336650815 385618653 /nfs/dbraw/zinc/61/86/53/385618653.db2.gz DXIZOBHISFCNAY-JTQLQIEISA-N 0 3 238.356 2.049 10 0 BEAEHN C[C@H](NCC1C[C@@H](C)O[C@H](C)C1)c1cnccn1 ZINC000280931735 385620483 /nfs/dbraw/zinc/62/04/83/385620483.db2.gz DXGGQYBLTRSNFY-UTUOFQBUSA-N 0 3 249.358 2.331 10 0 BEAEHN CC(C)(C)[C@@H]1CCc2n[nH]c(CN)c2C1 ZINC000082640512 385622089 /nfs/dbraw/zinc/62/20/89/385622089.db2.gz GBIIOSGZXGKWQN-MRVPVSSYSA-N 0 3 207.321 2.019 10 0 BEAEHN COC(=O)[C@@H]1CCCCCN1C(C)(C)C ZINC000260019317 385648769 /nfs/dbraw/zinc/64/87/69/385648769.db2.gz JYDOLDNORDMGGB-JTQLQIEISA-N 0 3 213.321 2.203 10 0 BEAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccco1 ZINC000252709802 385658233 /nfs/dbraw/zinc/65/82/33/385658233.db2.gz DWJBXTWYWORZSJ-SDDRHHMPSA-N 0 3 223.316 2.481 10 0 BEAEHN Cn1ccc(CN[C@@H]2CCC[C@H]2CCF)n1 ZINC000309553252 385685977 /nfs/dbraw/zinc/68/59/77/385685977.db2.gz GRTTYHQXFWPVOD-CMPLNLGQSA-N 0 3 225.311 2.038 10 0 BEAEHN NCc1cnc(C2CCSCC2)s1 ZINC000258876289 385779317 /nfs/dbraw/zinc/77/93/17/385779317.db2.gz MGEGCTMAPCEKOE-UHFFFAOYSA-N 0 3 214.359 2.212 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnn(CC(F)F)c1 ZINC000336714500 385809129 /nfs/dbraw/zinc/80/91/29/385809129.db2.gz RYXAIYDLCSUGRW-WDEREUQCSA-N 0 3 243.301 2.426 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CN(C)C[C@@H]2C)o1 ZINC000336742546 386201164 /nfs/dbraw/zinc/20/11/64/386201164.db2.gz OIXYXLXDKOOEFH-ZMLRMANQSA-N 0 3 222.332 2.189 10 0 BEAEHN CCN1CCCOC[C@@H]1c1ccc(N)cc1 ZINC000616599129 386192433 /nfs/dbraw/zinc/19/24/33/386192433.db2.gz HWULXWYOWBWEDF-CYBMUJFWSA-N 0 3 220.316 2.052 10 0 BEAEHN C[C@@H](N[C@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787969 386298553 /nfs/dbraw/zinc/29/85/53/386298553.db2.gz YPFCJDTZJWGBEP-PWSUYJOCSA-N 0 3 234.347 2.281 10 0 BEAEHN CO[C@H](CN)c1ccsc1Br ZINC000575592249 386345448 /nfs/dbraw/zinc/34/54/48/386345448.db2.gz PHWNLPRWCYXTHG-ZCFIWIBFSA-N 0 3 236.134 2.157 10 0 BEAEHN Cc1cn[nH]c1CN[C@H]1CCc2ccccc21 ZINC000290075290 386390015 /nfs/dbraw/zinc/39/00/15/386390015.db2.gz YNNWWNULXSHRPA-ZDUSSCGKSA-N 0 3 227.311 2.495 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1c(C)nn(C)c1C ZINC000165032102 386497105 /nfs/dbraw/zinc/49/71/05/386497105.db2.gz GMLUKWFFMOCGNS-YPMHNXCESA-N 0 3 221.348 2.315 10 0 BEAEHN CC(C)N1CCCC[C@@H]1c1cncnc1 ZINC000616614502 386646153 /nfs/dbraw/zinc/64/61/53/386646153.db2.gz RZUABZOOMHZXAU-GFCCVEGCSA-N 0 3 205.305 2.412 10 0 BEAEHN Cc1sccc1CN[C@@H]1CCO[C@@H]1C ZINC000293017342 386647722 /nfs/dbraw/zinc/64/77/22/386647722.db2.gz QKOBIMSAUODISO-LDYMZIIASA-N 0 3 211.330 2.324 10 0 BEAEHN Cc1nc([C@H](N)[C@@H]2CCSC2)cs1 ZINC000307496336 386690145 /nfs/dbraw/zinc/69/01/45/386690145.db2.gz RPEGVSIKKLCNOO-VXNVDRBHSA-N 0 3 214.359 2.204 10 0 BEAEHN FC1(CN[C@H]2CCSC2)CCCC1 ZINC000306705559 386741547 /nfs/dbraw/zinc/74/15/47/386741547.db2.gz IITNTECALRBGOI-VIFPVBQESA-N 0 3 203.326 2.364 10 0 BEAEHN Cc1cc(CN)cc(NC(=O)N2CC3(CC3)C2)c1 ZINC000333603403 387045508 /nfs/dbraw/zinc/04/55/08/387045508.db2.gz QUGYBJISULLAFX-UHFFFAOYSA-N 0 3 245.326 2.081 10 0 BEAEHN Cc1nnc(CNC2C3CC4CC(C3)CC2C4)o1 ZINC000328766084 387053650 /nfs/dbraw/zinc/05/36/50/387053650.db2.gz HDARDNFTAVGTFQ-UHFFFAOYSA-N 0 3 247.342 2.292 10 0 BEAEHN COC[C@@H](N)c1ccsc1Br ZINC000575467107 387077162 /nfs/dbraw/zinc/07/71/62/387077162.db2.gz WXRVQZOETGURQS-ZCFIWIBFSA-N 0 3 236.134 2.157 10 0 BEAEHN C[C@H](CCC1CC1)N[C@H]1CCCn2ncnc21 ZINC000186377420 387100583 /nfs/dbraw/zinc/10/05/83/387100583.db2.gz DYWUREGEHBOSSL-PWSUYJOCSA-N 0 3 234.347 2.281 10 0 BEAEHN CCN(CC)CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000068016120 387101198 /nfs/dbraw/zinc/10/11/98/387101198.db2.gz ROWBJXFFVVFNDB-LLVKDONJSA-N 0 3 238.331 2.107 10 0 BEAEHN COc1ccc([C@H](N)CCF)c(OC)c1 ZINC000575439425 387123082 /nfs/dbraw/zinc/12/30/82/387123082.db2.gz KIRIGUAZMDWKDV-SNVBAGLBSA-N 0 3 213.252 2.063 10 0 BEAEHN CC(C)=C[C@H](N)c1c(Br)cnn1C ZINC000575482166 387181037 /nfs/dbraw/zinc/18/10/37/387181037.db2.gz JWYAGAKLGMJQMN-QMMMGPOBSA-N 0 3 244.136 2.149 10 0 BEAEHN CCC[C@H](C(=O)N[C@H](C)CC(C)C)N(C)C ZINC000120315925 387231286 /nfs/dbraw/zinc/23/12/86/387231286.db2.gz JJDQVGWJFLGDFT-VXGBXAGGSA-N 0 3 228.380 2.268 10 0 BEAEHN c1n[nH]cc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000035763579 387232089 /nfs/dbraw/zinc/23/20/89/387232089.db2.gz IZDJLMNGALKYJU-CYBMUJFWSA-N 0 3 242.326 2.096 10 0 BEAEHN Cc1ncc([C@@H](N)[C@H]2CCSC2)s1 ZINC000575491559 387277505 /nfs/dbraw/zinc/27/75/05/387277505.db2.gz XQHLUWLDVGSQSO-CBAPKCEASA-N 0 3 214.359 2.204 10 0 BEAEHN COC(=O)c1ccc(CN2C[C@H]3CCC[C@H]32)cc1 ZINC000353896116 387291679 /nfs/dbraw/zinc/29/16/79/387291679.db2.gz DWODXIZWHYBWHC-ZIAGYGMSSA-N 0 3 245.322 2.458 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1c(C)cnn1C ZINC000286587166 387332102 /nfs/dbraw/zinc/33/21/02/387332102.db2.gz QMORHTPBLQRCHZ-MNOVXSKESA-N 0 3 207.321 2.007 10 0 BEAEHN C[C@@H]1CCN([C@H]2CCCCC2=O)CCS1 ZINC000306555432 387343464 /nfs/dbraw/zinc/34/34/64/387343464.db2.gz LUHRFWCGSBLWLN-MNOVXSKESA-N 0 3 227.373 2.326 10 0 BEAEHN C1CN[C@]2(CCCSCC2)SC1 ZINC000575516984 387426410 /nfs/dbraw/zinc/42/64/10/387426410.db2.gz BWHVVFHRLADVFQ-SECBINFHSA-N 0 3 203.376 2.326 10 0 BEAEHN CCOC[C@H](C)N[C@H]1COc2ccccc21 ZINC000122371419 387516242 /nfs/dbraw/zinc/51/62/42/387516242.db2.gz RQUHBKWTKCADBJ-JQWIXIFHSA-N 0 3 221.300 2.135 10 0 BEAEHN c1coc([C@H]2CCCN2CCC2OCCO2)c1 ZINC000124331283 387612529 /nfs/dbraw/zinc/61/25/29/387612529.db2.gz GIOQSBYSMHPUPI-LLVKDONJSA-N 0 3 237.299 2.180 10 0 BEAEHN Cc1cc(C)n2c(CN3CCC[C@H]3C)cnc2n1 ZINC000124342648 387613153 /nfs/dbraw/zinc/61/31/53/387613153.db2.gz NVLFXPSSOXSNDY-LLVKDONJSA-N 0 3 244.342 2.330 10 0 BEAEHN CCSCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000122926743 387617318 /nfs/dbraw/zinc/61/73/18/387617318.db2.gz ROPNMUIYZYGDFC-RYUDHWBXSA-N 0 3 229.389 2.383 10 0 BEAEHN C[C@@H]1CS[C@@]2(CC[C@H](C)SC2)N1 ZINC000575534359 387555398 /nfs/dbraw/zinc/55/53/98/387555398.db2.gz IWYMWHQZTYUXMF-HRDYMLBCSA-N 0 3 203.376 2.323 10 0 BEAEHN CCCNC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000035139687 387555381 /nfs/dbraw/zinc/55/53/81/387555381.db2.gz GRTWSLPJXSNJBO-ZJUUUORDSA-N 0 3 240.372 2.313 10 0 BEAEHN C[C@@H]1CS[C@@]2(CC[C@@H](C)SC2)N1 ZINC000575534365 387556283 /nfs/dbraw/zinc/55/62/83/387556283.db2.gz IWYMWHQZTYUXMF-IWSPIJDZSA-N 0 3 203.376 2.323 10 0 BEAEHN C[C@@H](NCC1CC1)c1nnc2n1CCCCC2 ZINC000037140770 387560080 /nfs/dbraw/zinc/56/00/80/387560080.db2.gz BTETWMLUGWPNFP-SNVBAGLBSA-N 0 3 234.347 2.065 10 0 BEAEHN Cc1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)cn1 ZINC000120685413 387573126 /nfs/dbraw/zinc/57/31/26/387573126.db2.gz JYFPNDYUGPUDDV-YPMHNXCESA-N 0 3 231.343 2.427 10 0 BEAEHN C[C@H]1OCC[C@@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284198481 387576949 /nfs/dbraw/zinc/57/69/49/387576949.db2.gz BPJZJYPCCVRPDD-PWSUYJOCSA-N 0 3 249.358 2.041 10 0 BEAEHN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)o1)N(C)C ZINC000124796342 387632004 /nfs/dbraw/zinc/63/20/04/387632004.db2.gz GAZZISYFTCJVRH-MNOVXSKESA-N 0 3 238.331 2.105 10 0 BEAEHN COc1cc(C)nc(CNCC2CCC2)c1 ZINC000125957441 387668856 /nfs/dbraw/zinc/66/88/56/387668856.db2.gz QSPMENQGJMABBM-UHFFFAOYSA-N 0 3 220.316 2.288 10 0 BEAEHN C[C@@H]1CC[C@@](N)(c2cnsc2)CS1 ZINC000575573307 387754965 /nfs/dbraw/zinc/75/49/65/387754965.db2.gz XARUJMYOTWVSOO-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1cc([C@@]2(N)CCS[C@@H]2C)sn1 ZINC000575560196 387702713 /nfs/dbraw/zinc/70/27/13/387702713.db2.gz JDENQBIJCXTZSA-VXNVDRBHSA-N 0 3 214.359 2.131 10 0 BEAEHN C/C=C/[C@@H](N)c1ccncc1Br ZINC000575562668 387704275 /nfs/dbraw/zinc/70/42/75/387704275.db2.gz AWCFFWQRJRZVAB-GKQMSVHHSA-N 0 3 227.105 2.420 10 0 BEAEHN Cc1ccc(CN2CCCC[C@@H](CO)C2)o1 ZINC000377236841 387705882 /nfs/dbraw/zinc/70/58/82/387705882.db2.gz GSNARFXNCPDEPI-GFCCVEGCSA-N 0 3 223.316 2.182 10 0 BEAEHN C[C@H]1C[C@@](N)(c2ccsc2Cl)CO1 ZINC000575564597 387720657 /nfs/dbraw/zinc/72/06/57/387720657.db2.gz GKXMIKLAYPLGQU-RCOVLWMOSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@@H]1COC[C@@]1(N)c1ccc(Cl)s1 ZINC000575570550 387738328 /nfs/dbraw/zinc/73/83/28/387738328.db2.gz KOAFXEJPUSMCRN-MUWHJKNJSA-N 0 3 217.721 2.222 10 0 BEAEHN C[C@@H]1SCCC[C@@]1(N)c1ccsn1 ZINC000575571190 387740224 /nfs/dbraw/zinc/74/02/24/387740224.db2.gz IFRAPEHSRQLUPI-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN Cc1cc(C)c(C)c(C2(CN)OCCO2)c1C ZINC000049827667 177852524 /nfs/dbraw/zinc/85/25/24/177852524.db2.gz JUJSAGUCAABMSA-UHFFFAOYSA-N 0 3 235.327 2.079 10 0 BEAEHN COCCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195323629 387920313 /nfs/dbraw/zinc/92/03/13/387920313.db2.gz WEAVTMYIXQBCJA-NSHDSACASA-N 0 3 240.372 2.277 10 0 BEAEHN COCCCN1CCC[C@@H](c2nccs2)C1 ZINC000195340159 387920459 /nfs/dbraw/zinc/92/04/59/387920459.db2.gz GZTWRDBDNDQQRY-LLVKDONJSA-N 0 3 240.372 2.359 10 0 BEAEHN CC(C)OCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000245842763 387986301 /nfs/dbraw/zinc/98/63/01/387986301.db2.gz HNDZHHUSYGBIDS-KGLIPLIRSA-N 0 3 241.375 2.445 10 0 BEAEHN C[C@@H]1CC(CN[C@@H]2CCn3ccnc32)C[C@@H](C)O1 ZINC000453204961 388010024 /nfs/dbraw/zinc/01/00/24/388010024.db2.gz CEPCUUDCXKPSLD-NQBHXWOUSA-N 0 3 249.358 2.121 10 0 BEAEHN CCc1ccc([C@@H]2CN[C@H](C)CO2)s1 ZINC000041062363 388018283 /nfs/dbraw/zinc/01/82/83/388018283.db2.gz DJPFIRLDTDXPQH-SCZZXKLOSA-N 0 3 211.330 2.360 10 0 BEAEHN c1coc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000246187055 388018478 /nfs/dbraw/zinc/01/84/78/388018478.db2.gz SVNSCYHANHXNSE-YNEHKIRRSA-N 0 3 233.311 2.327 10 0 BEAEHN CCc1ccc([C@@H]2CN[C@@H](C)CO2)s1 ZINC000041062365 388018588 /nfs/dbraw/zinc/01/85/88/388018588.db2.gz DJPFIRLDTDXPQH-WPRPVWTQSA-N 0 3 211.330 2.360 10 0 BEAEHN C[C@@H]1CS[C@@H]([C@H]2CCCSC2)N1 ZINC000306423127 388096688 /nfs/dbraw/zinc/09/66/88/388096688.db2.gz FDXOBJHBCMHHAE-VGMNWLOBSA-N 0 3 203.376 2.181 10 0 BEAEHN c1n[nH]cc1CN[C@H]1CCc2ccccc21 ZINC000038005820 388099365 /nfs/dbraw/zinc/09/93/65/388099365.db2.gz RQFXHIVARGDJJK-ZDUSSCGKSA-N 0 3 213.284 2.187 10 0 BEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CC1CC1 ZINC000086929425 388111009 /nfs/dbraw/zinc/11/10/09/388111009.db2.gz CMPTWQXDHNFCLT-ZIAGYGMSSA-N 0 3 222.376 2.345 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1ccc(CO)o1 ZINC000165036332 388250374 /nfs/dbraw/zinc/25/03/74/388250374.db2.gz NBGGFFGTABLERX-BXKDBHETSA-N 0 3 209.289 2.050 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnc(N(C)C)s1 ZINC000165052089 388250387 /nfs/dbraw/zinc/25/03/87/388250387.db2.gz LQAULZROQFBQAF-GXSJLCMTSA-N 0 3 239.388 2.487 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cnc(N(C)C)s1 ZINC000165051984 388250615 /nfs/dbraw/zinc/25/06/15/388250615.db2.gz LQAULZROQFBQAF-MWLCHTKSSA-N 0 3 239.388 2.487 10 0 BEAEHN Cc1nnc(CN[C@H]2CCC[C@H]2CCF)s1 ZINC000393788689 388441903 /nfs/dbraw/zinc/44/19/03/388441903.db2.gz BXYPOXVDJLZOSA-UWVGGRQHSA-N 0 3 243.351 2.464 10 0 BEAEHN Cc1ccc([C@@H](C)NCc2c[nH]nn2)c(C)c1 ZINC000296348351 388422980 /nfs/dbraw/zinc/42/29/80/388422980.db2.gz QWLWTCONFAMPCB-LLVKDONJSA-N 0 3 230.315 2.272 10 0 BEAEHN Cc1cc(C)cc(C(=O)[C@H]2CCCN2)c1 ZINC000041211911 388434029 /nfs/dbraw/zinc/43/40/29/388434029.db2.gz KWDMQEFOUXVLNS-GFCCVEGCSA-N 0 3 203.285 2.238 10 0 BEAEHN CCC[C@@H](C(=O)N(C)C[C@@H](C)CC)N(C)C ZINC000178658643 388503145 /nfs/dbraw/zinc/50/31/45/388503145.db2.gz UWICGRZRBHIKJF-RYUDHWBXSA-N 0 3 228.380 2.221 10 0 BEAEHN CCc1ccc(CN[C@H](C)[C@@H]2CCCO2)nc1 ZINC000345102975 388511257 /nfs/dbraw/zinc/51/12/57/388511257.db2.gz OUTMESNILOSISL-RISCZKNCSA-N 0 3 234.343 2.301 10 0 BEAEHN CC[C@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC000125206479 388669729 /nfs/dbraw/zinc/66/97/29/388669729.db2.gz DSWWNBZPLUSTKY-NSHDSACASA-N 0 3 226.364 2.023 10 0 BEAEHN C[C@H]1SCCC[C@]1(N)c1ccns1 ZINC000575453042 388748239 /nfs/dbraw/zinc/74/82/39/388748239.db2.gz DLSIZOFJAMYNHF-VXNVDRBHSA-N 0 3 214.359 2.213 10 0 BEAEHN N[C@H](c1cncs1)C1CCSCC1 ZINC000575453467 388749692 /nfs/dbraw/zinc/74/96/92/388749692.db2.gz GMKDEDMPVFHHAF-VIFPVBQESA-N 0 3 214.359 2.286 10 0 BEAEHN CCCC[C@H](CCC)NC(=O)[C@@H](C)NC ZINC000226064654 388699841 /nfs/dbraw/zinc/69/98/41/388699841.db2.gz RUNHOQANRUKKHA-MNOVXSKESA-N 0 3 214.353 2.069 10 0 BEAEHN Cc1ccc(CN[C@H](CC(C)C)CN(C)C)nc1 ZINC000127021220 388712526 /nfs/dbraw/zinc/71/25/26/388712526.db2.gz IEWQGKVZCLPXDE-OAHLLOKOSA-N 0 3 249.402 2.456 10 0 BEAEHN COC[C@@H](C)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000249463384 388723163 /nfs/dbraw/zinc/72/31/63/388723163.db2.gz FZPSPAMIGXUFPH-AAEUAGOBSA-N 0 3 237.347 2.219 10 0 BEAEHN NC1(c2ccc(Br)cc2)CSC1 ZINC000575463774 388831207 /nfs/dbraw/zinc/83/12/07/388831207.db2.gz YYUFZMJDQDKHNU-UHFFFAOYSA-N 0 3 244.157 2.350 10 0 BEAEHN Cc1ncc([C@H](N)[C@@]2(C)C[C@@H]2F)s1 ZINC000575466692 388838019 /nfs/dbraw/zinc/83/80/19/388838019.db2.gz PWNLPTIZNDHVCB-CIUDSAMLSA-N 0 3 200.282 2.199 10 0 BEAEHN CCC(CC)CC(=O)NC[C@@H]1CCCN1C ZINC000129880869 388873218 /nfs/dbraw/zinc/87/32/18/388873218.db2.gz FUXLQYHCDHXQPJ-LBPRGKRZSA-N 0 3 226.364 2.023 10 0 BEAEHN Cc1cncc([C@H](C)N[C@H]2CCO[C@@H]2C)c1 ZINC000274326800 389046562 /nfs/dbraw/zinc/04/65/62/389046562.db2.gz AAIZHZBCYSWJTG-LOWVWBTDSA-N 0 3 220.316 2.218 10 0 BEAEHN C[C@@H]1COCCN1c1ccc(Cl)cc1CN ZINC000052856748 132362686 /nfs/dbraw/zinc/36/26/86/132362686.db2.gz RXPCKSGYMRZTCD-SECBINFHSA-N 0 3 240.734 2.024 10 0 BEAEHN C[C@@H](N)c1c(F)cccc1N1CCO[C@@H](C)C1 ZINC000019872139 132328547 /nfs/dbraw/zinc/32/85/47/132328547.db2.gz BLWGSZVGANSYJO-VHSXEESVSA-N 0 3 238.306 2.071 10 0 BEAEHN C[C@H](N)c1cc(F)ccc1N1CCSCC1 ZINC000020257410 132330433 /nfs/dbraw/zinc/33/04/33/132330433.db2.gz BCYMELDADVIYPX-VIFPVBQESA-N 0 3 240.347 2.399 10 0 BEAEHN CN1c2ccccc2[C@@H](NCC2CCC2)CC1=O ZINC000037253899 132344223 /nfs/dbraw/zinc/34/42/23/132344223.db2.gz MIORZEQWTYBITF-ZDUSSCGKSA-N 0 3 244.338 2.484 10 0 BEAEHN NC1(C(=O)N2CCCc3ccccc32)CCCC1 ZINC000037616066 132345143 /nfs/dbraw/zinc/34/51/43/132345143.db2.gz QSLMIYHUPLNUDM-UHFFFAOYSA-N 0 3 244.338 2.237 10 0 BEAEHN CC(C)c1cc(C(C)C)nc(N2CCNCC2)n1 ZINC000038284881 132346073 /nfs/dbraw/zinc/34/60/73/132346073.db2.gz CCNUCZUXSMNITE-UHFFFAOYSA-N 0 3 248.374 2.133 10 0 BEAEHN CC[C@@H]1CCCCN1c1cccc(CN)n1 ZINC000051396650 132360068 /nfs/dbraw/zinc/36/00/68/132360068.db2.gz MYPVRTSLACUODJ-GFCCVEGCSA-N 0 3 219.332 2.309 10 0 BEAEHN NCc1ccc(N2CCCc3ccccc32)nn1 ZINC000051396467 132360149 /nfs/dbraw/zinc/36/01/49/132360149.db2.gz WGMWSDZAFWHANP-UHFFFAOYSA-N 0 3 240.310 2.020 10 0 BEAEHN C[C@@H]1CCCCN1c1ccc(CNC2CC2)nn1 ZINC000051399464 132360758 /nfs/dbraw/zinc/36/07/58/132360758.db2.gz AREDQFRQQFUQNO-LLVKDONJSA-N 0 3 246.358 2.107 10 0 BEAEHN Cc1ccc(CN)c(N2CCOC(C)(C)C2)c1 ZINC000051579149 132361491 /nfs/dbraw/zinc/36/14/91/132361491.db2.gz PNPOAAYMGMBTSJ-UHFFFAOYSA-N 0 3 234.343 2.069 10 0 BEAEHN Cc1nnc(N2CC[C@H](C)C[C@@H]2C)c(CN)c1C ZINC000051728469 132361592 /nfs/dbraw/zinc/36/15/92/132361592.db2.gz OOKVDTCZBMUQCD-UWVGGRQHSA-N 0 3 248.374 2.177 10 0 BEAEHN CC1CC(N[C@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000163394322 132445084 /nfs/dbraw/zinc/44/50/84/132445084.db2.gz VCAASQHFSBFBPO-XIVSLSHWSA-N 0 3 244.338 2.482 10 0 BEAEHN C[C@H](CN1CCOCC2(CC2)C1)C(F)(F)F ZINC000335975407 134030739 /nfs/dbraw/zinc/03/07/39/134030739.db2.gz OYAQNXKHHWCXHA-SECBINFHSA-N 0 3 237.265 2.297 10 0 BEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H](C)C1 ZINC000336010819 134050773 /nfs/dbraw/zinc/05/07/73/134050773.db2.gz IIZCAHZTQQOVIN-OLZOCXBDSA-N 0 3 238.375 2.118 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)C1CC1 ZINC000167854945 134154230 /nfs/dbraw/zinc/15/42/30/134154230.db2.gz XRKJTIYSTMVKOQ-KOLCDFICSA-N 0 3 234.347 2.064 10 0 BEAEHN CCC[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000177035819 134294359 /nfs/dbraw/zinc/29/43/59/134294359.db2.gz KMRGEGQVSRFYHO-OLZOCXBDSA-N 0 3 240.391 2.365 10 0 BEAEHN CC(C)=CCNCc1ccnc(-n2cccn2)c1 ZINC000178771666 134311413 /nfs/dbraw/zinc/31/14/13/134311413.db2.gz JLWWRBVRSPTWOV-UHFFFAOYSA-N 0 3 242.326 2.323 10 0 BEAEHN Cc1noc(C2CCN(C3CCC3)CC2)n1 ZINC000178984907 134314232 /nfs/dbraw/zinc/31/42/32/134314232.db2.gz LDZAGLSCDOMTJQ-UHFFFAOYSA-N 0 3 221.304 2.110 10 0 BEAEHN CN1c2ccccc2[C@H](NCC2(C)CC2)CC1=O ZINC000222189316 134330093 /nfs/dbraw/zinc/33/00/93/134330093.db2.gz UTXNKCIRGCJLDS-GFCCVEGCSA-N 0 3 244.338 2.484 10 0 BEAEHN CCn1nc(C)c([C@@H](C)NC[C@@H](C)OC)c1C ZINC000223969019 134343782 /nfs/dbraw/zinc/34/37/82/134343782.db2.gz YZAUKBJTLGMREW-NXEZZACHSA-N 0 3 239.363 2.205 10 0 BEAEHN CCC[C@@H](C(=O)N1CCCC2(CC2)C1)N(C)C ZINC000184129153 134359116 /nfs/dbraw/zinc/35/91/16/134359116.db2.gz ALFDZEZKFHYOJU-LBPRGKRZSA-N 0 3 238.375 2.119 10 0 BEAEHN CCC[C@@H](C(=O)N1CCCC[C@H](C)C1)N(C)C ZINC000184441550 134361244 /nfs/dbraw/zinc/36/12/44/134361244.db2.gz NXFAQASBJSTXNZ-STQMWFEESA-N 0 3 240.391 2.365 10 0 BEAEHN CC(C)n1cc(CN[C@@H](C)[C@H]2CCCO2)cn1 ZINC000226240987 134362079 /nfs/dbraw/zinc/36/20/79/134362079.db2.gz CSYMIXWSBXVSHQ-WCQYABFASA-N 0 3 237.347 2.121 10 0 BEAEHN CC(C)[C@H](C)NCc1cn(C(C)(C)C)nn1 ZINC000189942104 134554433 /nfs/dbraw/zinc/55/44/33/134554433.db2.gz RXXUUPBDYPRNKV-JTQLQIEISA-N 0 3 224.352 2.167 10 0 BEAEHN C[C@@H]1CC[C@@H](CN2CCC[C@H]2c2cnn(C)c2)O1 ZINC000248883214 135025236 /nfs/dbraw/zinc/02/52/36/135025236.db2.gz GRUVHJDPCXUKDL-XBFCOCLRSA-N 0 3 249.358 2.125 10 0 BEAEHN C[C@@H]1CC[C@H](CN2CCO[C@@H]3CCCC[C@H]32)O1 ZINC000248955718 135027204 /nfs/dbraw/zinc/02/72/04/135027204.db2.gz OLIOHSDDAJFBGD-AAVRWANBSA-N 0 3 239.359 2.197 10 0 BEAEHN CCN1CCC[C@H](N[C@H](C)c2ccco2)C1 ZINC000249614942 135042332 /nfs/dbraw/zinc/04/23/32/135042332.db2.gz TYSUAUATUFGURP-NEPJUHHUSA-N 0 3 222.332 2.415 10 0 BEAEHN CCC(CC)CNC(=O)[C@]1(C)CCCCN1 ZINC000163694448 135049875 /nfs/dbraw/zinc/04/98/75/135049875.db2.gz CXPGJYUSVNFWMY-ZDUSSCGKSA-N 0 3 226.364 2.071 10 0 BEAEHN Cc1nccc(CNC[C@]2(C)CCCS2)n1 ZINC000087793216 135172235 /nfs/dbraw/zinc/17/22/35/135172235.db2.gz QIYXCKLIYWQRLM-LBPRGKRZSA-N 0 3 237.372 2.160 10 0 BEAEHN CCC[C@](C)(N)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261554874 135194770 /nfs/dbraw/zinc/19/47/70/135194770.db2.gz PGICCSZHWSDYDD-BZPMIXESSA-N 0 3 238.375 2.153 10 0 BEAEHN CC(C)(C)[C@H](O)CNCc1ccc(Cl)o1 ZINC000164026623 135213433 /nfs/dbraw/zinc/21/34/33/135213433.db2.gz WAZMHYLTZFRZMR-SECBINFHSA-N 0 3 231.723 2.430 10 0 BEAEHN CCC[C@](C)(N)C(=O)Nc1ccc2c(c1)COC2 ZINC000261577470 135218985 /nfs/dbraw/zinc/21/89/85/135218985.db2.gz OKBSVWACLIQDCS-AWEZNQCLSA-N 0 3 248.326 2.173 10 0 BEAEHN CC[C@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000079025182 135266759 /nfs/dbraw/zinc/26/67/59/135266759.db2.gz DRZXOCINDOOOJH-NWDGAFQWSA-N 0 3 243.395 2.060 10 0 BEAEHN C[C@H](NCc1ccncc1Cl)[C@@H]1CCCO1 ZINC000084084765 135464266 /nfs/dbraw/zinc/46/42/66/135464266.db2.gz FSXCKJDYDANUGC-CABZTGNLSA-N 0 3 240.734 2.392 10 0 BEAEHN CC(C)N1CCO[C@H](c2ccccc2N)CC1 ZINC000616687334 397929134 /nfs/dbraw/zinc/92/91/34/397929134.db2.gz VFVJWBWCVWONBW-AWEZNQCLSA-N 0 3 234.343 2.441 10 0 BEAEHN C[C@H]1CSC(N[C@H]2CC23CCCC3)=N1 ZINC000306884127 397935604 /nfs/dbraw/zinc/93/56/04/397935604.db2.gz PZDUGKCBZDHOMZ-IUCAKERBSA-N 0 3 210.346 2.400 10 0 BEAEHN COC[C@H](N)c1ccsc1Br ZINC000575467104 397989103 /nfs/dbraw/zinc/98/91/03/397989103.db2.gz WXRVQZOETGURQS-LURJTMIESA-N 0 3 236.134 2.157 10 0 BEAEHN CCOc1cc(C)c(OCC)c(CN)c1 ZINC000575721301 398067626 /nfs/dbraw/zinc/06/76/26/398067626.db2.gz JKMXYGWGJQBIBY-UHFFFAOYSA-N 0 3 209.289 2.251 10 0 BEAEHN C[C@@H]1CN(C[C@H]2CCC[C@H](O)C2)CC(C)(C)O1 ZINC000383873668 398090133 /nfs/dbraw/zinc/09/01/33/398090133.db2.gz IERASLWGERUXGX-AGIUHOORSA-N 0 3 241.375 2.037 10 0 BEAEHN CC(C)NCc1nc(-c2cccs2)n[nH]1 ZINC000054700239 167120956 /nfs/dbraw/zinc/12/09/56/167120956.db2.gz FNFJHEVJFFHBOD-UHFFFAOYSA-N 0 3 222.317 2.031 10 0 BEAEHN CC(C)N[C@@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720346 167133254 /nfs/dbraw/zinc/13/32/54/167133254.db2.gz FJZCSQKKPBSNRN-JTQLQIEISA-N 0 3 233.233 2.135 10 0 BEAEHN C[C@H](NC1CC(CO)C1)c1ccc(F)cc1F ZINC000658350116 487591852 /nfs/dbraw/zinc/59/18/52/487591852.db2.gz BFISABPZVWBSNI-SILCLGDVSA-N 0 3 241.281 2.386 10 0 BEAEHN CC[C@H](NC(=O)c1cccc2c1CNC2)C(C)C ZINC000662410388 409702131 /nfs/dbraw/zinc/70/21/31/409702131.db2.gz YZAKXEFYBLEBJZ-AWEZNQCLSA-N 0 3 246.354 2.454 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000662890610 409969084 /nfs/dbraw/zinc/96/90/84/409969084.db2.gz YDOTVHLITQLLHZ-MROQNXINSA-N 0 3 240.391 2.397 10 0 BEAEHN Cc1ccc([C@@H](C)NC(=O)CNC(C)C)c(C)c1 ZINC000037765416 487618398 /nfs/dbraw/zinc/61/83/98/487618398.db2.gz MSYZMLDVYSZXJQ-CYBMUJFWSA-N 0 3 248.370 2.479 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000655484611 410754845 /nfs/dbraw/zinc/75/48/45/410754845.db2.gz XVWZXANHUWDGEI-ZWNOBZJWSA-N 0 3 238.375 2.069 10 0 BEAEHN CC(C)CCN(C(=O)C1(N)CCCC1)C1CC1 ZINC000037807068 166825471 /nfs/dbraw/zinc/82/54/71/166825471.db2.gz YOJQMSXFGREWJW-UHFFFAOYSA-N 0 3 238.375 2.295 10 0 BEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000040852360 410894621 /nfs/dbraw/zinc/89/46/21/410894621.db2.gz WOCIJGCOGUTDAX-GZMMTYOYSA-N 0 3 240.734 2.255 10 0 BEAEHN CC(C)NCc1ccnc(-c2ccco2)n1 ZINC000054791823 167120983 /nfs/dbraw/zinc/12/09/83/167120983.db2.gz WEKSVFOCSMZIGC-UHFFFAOYSA-N 0 3 217.272 2.235 10 0 BEAEHN CC(C)NCc1ccnc(C(C)(C)C)n1 ZINC000054791753 167121986 /nfs/dbraw/zinc/12/19/86/167121986.db2.gz ZRQCTUWLBGRSNM-UHFFFAOYSA-N 0 3 207.321 2.272 10 0 BEAEHN CC(C)N[C@](C)(CO)c1ccc(F)c(F)c1 ZINC000038115496 167143093 /nfs/dbraw/zinc/14/30/93/167143093.db2.gz OTQMBDVRGBZMCG-GFCCVEGCSA-N 0 3 229.270 2.170 10 0 BEAEHN CC(C)Oc1ccc(CNC[C@@H](C)O)cc1F ZINC000098126652 167294190 /nfs/dbraw/zinc/29/41/90/167294190.db2.gz HIVQVJZANCUQHN-SNVBAGLBSA-N 0 3 241.306 2.083 10 0 BEAEHN CC(C)Oc1ccc([C@@H](O)CN(C)C)cc1 ZINC000044122565 167298548 /nfs/dbraw/zinc/29/85/48/167298548.db2.gz MDCQIDJJCLICPE-ZDUSSCGKSA-N 0 3 223.316 2.069 10 0 BEAEHN CC(C)[C@@H](C)N[C@@H]1COc2cc(O)ccc21 ZINC000020522817 167384555 /nfs/dbraw/zinc/38/45/55/167384555.db2.gz IXONMFKIKABNPL-BXKDBHETSA-N 0 3 221.300 2.460 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)CCC(C)(C)C ZINC000399895075 411068892 /nfs/dbraw/zinc/06/88/92/411068892.db2.gz QHLNXWLYUZGJJD-GHMZBOCLSA-N 0 3 228.380 2.254 10 0 BEAEHN CC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(C)C ZINC000042592681 411021591 /nfs/dbraw/zinc/02/15/91/411021591.db2.gz BFBZNUKQMRCLCP-KGLIPLIRSA-N 0 3 248.370 2.107 10 0 BEAEHN CC[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C ZINC000042592689 411022086 /nfs/dbraw/zinc/02/20/86/411022086.db2.gz BFBZNUKQMRCLCP-UONOGXRCSA-N 0 3 248.370 2.107 10 0 BEAEHN CC[C@H](NC(=O)[C@@H](CN)c1ccccc1)C(C)C ZINC000061612834 411169593 /nfs/dbraw/zinc/16/95/93/411169593.db2.gz NSJVHXJRBHKPAH-KBPBESRZSA-N 0 3 248.370 2.280 10 0 BEAEHN C[C@H]1OCC[C@H]1NCc1scnc1C1CC1 ZINC000309913214 411189425 /nfs/dbraw/zinc/18/94/25/411189425.db2.gz NXXIDJDSAFVEEF-PSASIEDQSA-N 0 3 238.356 2.288 10 0 BEAEHN Cc1ccc([C@@H](C)NC(=O)CN(C)C(C)C)o1 ZINC000049398657 411232490 /nfs/dbraw/zinc/23/24/90/411232490.db2.gz DNNJWNKALUAWMP-LLVKDONJSA-N 0 3 238.331 2.105 10 0 BEAEHN CCN(Cc1ccccn1)C[C@@H]1CCC[C@@H](O)C1 ZINC000311056567 411310405 /nfs/dbraw/zinc/31/04/05/411310405.db2.gz YHJSSQKQJUMZFZ-UKRRQHHQSA-N 0 3 248.370 2.455 10 0 BEAEHN C[C@@H](NC1CC(CO)C1)c1ccsc1 ZINC000658350368 411352083 /nfs/dbraw/zinc/35/20/83/411352083.db2.gz CWYHXQDLFHPRFJ-FKTRJACZSA-N 0 3 211.330 2.170 10 0 BEAEHN CC1(CN[C@H]2CCOc3ccccc32)COC1 ZINC000079475274 168046144 /nfs/dbraw/zinc/04/61/44/168046144.db2.gz KJBIPXHLZFEBNR-LBPRGKRZSA-N 0 3 233.311 2.136 10 0 BEAEHN CC1CCC(CO)(NCc2cncs2)CC1 ZINC000054788480 168157157 /nfs/dbraw/zinc/15/71/57/168157157.db2.gz KTPXATSADKLUGA-UHFFFAOYSA-N 0 3 240.372 2.174 10 0 BEAEHN CC1CCC(NC(=O)[C@H]2CCC[C@H](C)N2)CC1 ZINC000019506518 168163422 /nfs/dbraw/zinc/16/34/22/168163422.db2.gz HBGVDUCNWCTXBC-PYNQCMFNSA-N 0 3 238.375 2.212 10 0 BEAEHN C[C@@H](NCC1(O)CCC(C)CC1)c1cn[nH]c1 ZINC000301905536 168167050 /nfs/dbraw/zinc/16/70/50/168167050.db2.gz SVCNNOMKDMLLDZ-QWKFWESOSA-N 0 3 237.347 2.002 10 0 BEAEHN C[C@@H](N)c1nnc(C2CCC(C)CC2)[nH]1 ZINC000061844032 168170113 /nfs/dbraw/zinc/17/01/13/168170113.db2.gz RDRBLDUEHDNFOJ-QJAFJHJLSA-N 0 3 208.309 2.118 10 0 BEAEHN C[C@@H](N)c1n[nH]c(C2CCC(C)CC2)n1 ZINC000061844032 168170117 /nfs/dbraw/zinc/17/01/17/168170117.db2.gz RDRBLDUEHDNFOJ-QJAFJHJLSA-N 0 3 208.309 2.118 10 0 BEAEHN CC1CCN([C@H]2COc3ccccc3[C@H]2O)CC1 ZINC000044114843 168188142 /nfs/dbraw/zinc/18/81/42/168188142.db2.gz GEBPLKJJNJTQIB-DZGCQCFKSA-N 0 3 247.338 2.213 10 0 BEAEHN CCN1CCCOC[C@H]1c1ccccc1CCO ZINC000616648201 411410926 /nfs/dbraw/zinc/41/09/26/411410926.db2.gz ATVCUXCHQWBQFJ-HNNXBMFYSA-N 0 3 249.354 2.005 10 0 BEAEHN CCN(Cc1ccncc1)[C@@H](CN)c1ccoc1 ZINC000063047854 169925356 /nfs/dbraw/zinc/92/53/56/169925356.db2.gz GYPPKASHZRQSEL-AWEZNQCLSA-N 0 3 245.326 2.197 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cnc2n1CCC2 ZINC000657385880 411489542 /nfs/dbraw/zinc/48/95/42/411489542.db2.gz UPYPHWTYNSDWEY-JQWIXIFHSA-N 0 3 219.332 2.108 10 0 BEAEHN CC[C@H](NC1CC(CO)C1)c1ccc(F)cn1 ZINC000658357850 411500962 /nfs/dbraw/zinc/50/09/62/411500962.db2.gz XGBGCGWEBRNVBM-NHNAUAITSA-N 0 3 238.306 2.032 10 0 BEAEHN Cc1c[nH]c(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000657456644 411517169 /nfs/dbraw/zinc/51/71/69/411517169.db2.gz WCVBLGLGVOAEGA-ZSBIGDGJSA-N 0 3 237.347 2.011 10 0 BEAEHN CCN1C[C@H](C)[C@H](NCc2occc2C)C1 ZINC000336782159 170037988 /nfs/dbraw/zinc/03/79/88/170037988.db2.gz WURMNDQWIGHFNY-NWDGAFQWSA-N 0 3 222.332 2.018 10 0 BEAEHN CCNC(=O)CCN[C@@H](C)c1ccccc1C ZINC000051759001 170053045 /nfs/dbraw/zinc/05/30/45/170053045.db2.gz ADKZFPPSMOZXOR-LBPRGKRZSA-N 0 3 234.343 2.172 10 0 BEAEHN CCNC(=O)CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000036780253 170064668 /nfs/dbraw/zinc/06/46/68/170064668.db2.gz HLTCGZXPXYWOHP-ZDUSSCGKSA-N 0 3 248.370 2.399 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1cccc(F)c1 ZINC000061287511 170107241 /nfs/dbraw/zinc/10/72/41/170107241.db2.gz MPICNICMKGVFAM-UHFFFAOYSA-N 0 3 224.279 2.152 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1ccccc1F ZINC000061287586 170107905 /nfs/dbraw/zinc/10/79/05/170107905.db2.gz VNLHSQQPOXJRHY-UHFFFAOYSA-N 0 3 224.279 2.152 10 0 BEAEHN CCNCc1cc(N2CCC[C@@H]2C)ccn1 ZINC000051398840 170125811 /nfs/dbraw/zinc/12/58/11/170125811.db2.gz XHFLNWOHKOZQHD-NSHDSACASA-N 0 3 219.332 2.180 10 0 BEAEHN CCNCc1cccnc1N(C)Cc1ccco1 ZINC000051443503 170129338 /nfs/dbraw/zinc/12/93/38/170129338.db2.gz STWSMARAPQCKQJ-UHFFFAOYSA-N 0 3 245.326 2.421 10 0 BEAEHN CCNCc1cccnc1N1CCC[C@H]1C ZINC000051398761 170129355 /nfs/dbraw/zinc/12/93/55/170129355.db2.gz XIIZWEUUQGTTPA-LLVKDONJSA-N 0 3 219.332 2.180 10 0 BEAEHN CCNCc1cnn(CCOCCC(C)C)c1 ZINC000054719370 170130396 /nfs/dbraw/zinc/13/03/96/170130396.db2.gz BNXWTVGBNGMHOC-UHFFFAOYSA-N 0 3 239.363 2.055 10 0 BEAEHN CCNCc1cnn(-c2ccc(F)cc2)c1C ZINC000042355352 170130707 /nfs/dbraw/zinc/13/07/07/170130707.db2.gz KKZPUMBWDSNBJX-UHFFFAOYSA-N 0 3 233.290 2.429 10 0 BEAEHN CCNCc1cnc(C2CCOCC2)s1 ZINC000052176100 170130788 /nfs/dbraw/zinc/13/07/88/170130788.db2.gz LNVJEFAIAJPBKJ-UHFFFAOYSA-N 0 3 226.345 2.147 10 0 BEAEHN CCNCc1cnc(N2CCC[C@@H]2C)s1 ZINC000054899000 170130802 /nfs/dbraw/zinc/13/08/02/170130802.db2.gz NUJLOKQUDZFBAF-VIFPVBQESA-N 0 3 225.361 2.241 10 0 BEAEHN CCN[C@@H](C)C(=O)c1ccc(OC)c(CC)c1 ZINC000071545937 170137784 /nfs/dbraw/zinc/13/77/84/170137784.db2.gz MHCPFDURFGQVFW-JTQLQIEISA-N 0 3 235.327 2.438 10 0 BEAEHN CCN[C@@H](C(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000037869606 170138310 /nfs/dbraw/zinc/13/83/10/170138310.db2.gz YZJIBYDRKJSBBW-GFCCVEGCSA-N 0 3 234.343 2.120 10 0 BEAEHN CCN[C@@H](C)c1ccc(OC)c(OC)c1OC ZINC000036201042 170142102 /nfs/dbraw/zinc/14/21/02/170142102.db2.gz IZQVYIXFFCUBJN-VIFPVBQESA-N 0 3 239.315 2.383 10 0 BEAEHN CCN[C@@H](C)c1cnc(C2CC2)nc1C ZINC000054962954 170142544 /nfs/dbraw/zinc/14/25/44/170142544.db2.gz YCUZNEBWFUKGTQ-QMMMGPOBSA-N 0 3 205.305 2.333 10 0 BEAEHN CCN[C@@H](C)c1cnc(-c2ncccn2)s1 ZINC000054159704 170142730 /nfs/dbraw/zinc/14/27/30/170142730.db2.gz ZHKNKIDATUTYPW-QMMMGPOBSA-N 0 3 234.328 2.271 10 0 BEAEHN CCN[C@@H](C)c1cnn(C[C@H]2CCCCO2)c1 ZINC000054721254 170143080 /nfs/dbraw/zinc/14/30/80/170143080.db2.gz VKYGEAKLLMJJLF-WCQYABFASA-N 0 3 237.347 2.123 10 0 BEAEHN CCN[C@@H](CC)C(=O)c1ccccc1OC ZINC000071523112 170143613 /nfs/dbraw/zinc/14/36/13/170143613.db2.gz VXTCJBRVZUORLR-NSHDSACASA-N 0 3 221.300 2.266 10 0 BEAEHN CCN[C@@H](CC)C(=O)c1cc(F)ccc1OC ZINC000071549341 170144256 /nfs/dbraw/zinc/14/42/56/170144256.db2.gz HYDOAYNXYKKDPS-NSHDSACASA-N 0 3 239.290 2.405 10 0 BEAEHN CCN[C@@H](C[C@@H]1CCCO1)c1cncc(F)c1 ZINC000049576345 170146863 /nfs/dbraw/zinc/14/68/63/170146863.db2.gz YRBDTSWDKNQQBW-STQMWFEESA-N 0 3 238.306 2.440 10 0 BEAEHN CCN[C@@H](c1cnn(C)c1)c1cccs1 ZINC000035555513 170149742 /nfs/dbraw/zinc/14/97/42/170149742.db2.gz IDACQPWWXFFUAK-NSHDSACASA-N 0 3 221.329 2.181 10 0 BEAEHN CCN[C@@H]1CCC[S@@](=O)c2ccccc21 ZINC000040973536 170151315 /nfs/dbraw/zinc/15/13/15/170151315.db2.gz DPGLLIVATZYEFP-ABAIWWIYSA-N 0 3 223.341 2.239 10 0 BEAEHN CCN[C@@H]1CCN(C2CCC(CC)CC2)C1=O ZINC000049649044 170152137 /nfs/dbraw/zinc/15/21/37/170152137.db2.gz YQABQMOAWDUDTP-WXRRBKDZSA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000049648329 170152442 /nfs/dbraw/zinc/15/24/42/170152442.db2.gz QYUYLHOIVFOSGS-LLVKDONJSA-N 0 3 238.718 2.055 10 0 BEAEHN CCN[C@@H]1CCN([C@@H](C)c2ccsc2)C1=O ZINC000061363811 170152708 /nfs/dbraw/zinc/15/27/08/170152708.db2.gz APZSZIYYEXWFJD-GXSJLCMTSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@@](C)(CO)c1ccccc1Cl ZINC000038120150 170155229 /nfs/dbraw/zinc/15/52/29/170155229.db2.gz HJWZWCGVBWNIJD-NSHDSACASA-N 0 3 213.708 2.157 10 0 BEAEHN CCN[C@H](C)c1cnn(C[C@@H]2CCCCO2)c1 ZINC000054721252 170160337 /nfs/dbraw/zinc/16/03/37/170160337.db2.gz VKYGEAKLLMJJLF-YPMHNXCESA-N 0 3 237.347 2.123 10 0 BEAEHN CCN[C@H](CCO)c1nccc2ccccc21 ZINC000095091367 170161521 /nfs/dbraw/zinc/16/15/21/170161521.db2.gz BAQPCFOATWBPDS-CYBMUJFWSA-N 0 3 230.311 2.268 10 0 BEAEHN CCN[C@H](CO)c1cc(C)c(OCC)cc1C ZINC000071548157 170162442 /nfs/dbraw/zinc/16/24/42/170162442.db2.gz UPRCGEHSDCEELO-CYBMUJFWSA-N 0 3 237.343 2.345 10 0 BEAEHN CCN[C@H](c1ccsc1)c1cnn(C)c1 ZINC000035555453 170165293 /nfs/dbraw/zinc/16/52/93/170165293.db2.gz BAZPMCHFQPFXLR-LLVKDONJSA-N 0 3 221.329 2.181 10 0 BEAEHN CCN[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000049648330 170167754 /nfs/dbraw/zinc/16/77/54/170167754.db2.gz QYUYLHOIVFOSGS-NSHDSACASA-N 0 3 238.718 2.055 10 0 BEAEHN CCN[C@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647806 170168050 /nfs/dbraw/zinc/16/80/50/170168050.db2.gz TVITXTMREFHYGO-LBPRGKRZSA-N 0 3 232.327 2.018 10 0 BEAEHN CCN[C@H]1CC[S@](=O)c2c(F)cc(F)cc21 ZINC000040977141 170168578 /nfs/dbraw/zinc/16/85/78/170168578.db2.gz XOIMWNCQKHPCIR-MGPLVRAMSA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@H]1CCOc2ccc(OC)cc21 ZINC000035652795 170168634 /nfs/dbraw/zinc/16/86/34/170168634.db2.gz LLNZWZFSUBBNCV-NSHDSACASA-N 0 3 207.273 2.128 10 0 BEAEHN CCN[C@H]1c2cccc(OC)c2O[C@H]1C ZINC000043633337 170169489 /nfs/dbraw/zinc/16/94/89/170169489.db2.gz ILSHZDCFJHPWAH-GZMMTYOYSA-N 0 3 207.273 2.127 10 0 BEAEHN CCN[C@](C)(C(N)=O)c1ccc(C(C)C)cc1 ZINC000037447687 170170546 /nfs/dbraw/zinc/17/05/46/170170546.db2.gz VJQPLHPRAIGWTL-AWEZNQCLSA-N 0 3 234.343 2.120 10 0 BEAEHN CCNc1cc(CN2CCC[C@@H]2C)ccn1 ZINC000052709425 170172260 /nfs/dbraw/zinc/17/22/60/170172260.db2.gz MTZYOEJDVWYGKS-NSHDSACASA-N 0 3 219.332 2.498 10 0 BEAEHN CC[C@]1(C)COCCN1C[C@H]1CCC[C@@H](O)C1 ZINC000660150809 411547172 /nfs/dbraw/zinc/54/71/72/411547172.db2.gz ZWFUVOLGIBNWBI-BFHYXJOUSA-N 0 3 241.375 2.038 10 0 BEAEHN CCNc1ncccc1CN1CCC[C@@H]1C ZINC000052709417 170178008 /nfs/dbraw/zinc/17/80/08/170178008.db2.gz SDOKMRPUHVSAEW-NSHDSACASA-N 0 3 219.332 2.498 10 0 BEAEHN CCOC(=O)CCNCc1ccccc1C ZINC000037853548 170209056 /nfs/dbraw/zinc/20/90/56/170209056.db2.gz WLQJAADJKVWPTI-UHFFFAOYSA-N 0 3 221.300 2.038 10 0 BEAEHN CCOC(=O)CCN[C@@H](C)c1ccc(C)o1 ZINC000038097821 170209873 /nfs/dbraw/zinc/20/98/73/170209873.db2.gz YEHJTVMVRMINCB-JTQLQIEISA-N 0 3 225.288 2.192 10 0 BEAEHN CCOC1CC(N[C@@H]2COc3ccccc32)C1 ZINC000124491300 170329496 /nfs/dbraw/zinc/32/94/96/170329496.db2.gz MTHYKEHFHSKHHM-GCZXYKMCSA-N 0 3 233.311 2.277 10 0 BEAEHN CCCc1nccnc1NC[C@H]1CCCN1CC ZINC000663319348 411623939 /nfs/dbraw/zinc/62/39/39/411623939.db2.gz RVQKYDIMPAVUCO-GFCCVEGCSA-N 0 3 248.374 2.325 10 0 BEAEHN CCOC[C@@H](C)N[C@@H]1COc2ccccc21 ZINC000122370768 170433272 /nfs/dbraw/zinc/43/32/72/170433272.db2.gz RQUHBKWTKCADBJ-ZYHUDNBSSA-N 0 3 221.300 2.135 10 0 BEAEHN C[C@H]1C[C@H]1c1ccc(CNC2CC(CO)C2)o1 ZINC000657808995 411601654 /nfs/dbraw/zinc/60/16/54/411601654.db2.gz RPPTUIAXLLWNOS-HHISKICNSA-N 0 3 235.327 2.264 10 0 BEAEHN OCC1CC(NCc2sccc2Cl)C1 ZINC000657811283 411602655 /nfs/dbraw/zinc/60/26/55/411602655.db2.gz UKCSLROQOAJMAO-UHFFFAOYSA-N 0 3 231.748 2.262 10 0 BEAEHN Cc1nccc(CN[C@H](C)C(C)(C)C)n1 ZINC000133306401 411707420 /nfs/dbraw/zinc/70/74/20/411707420.db2.gz XTJMTXFRCOKTHZ-SECBINFHSA-N 0 3 207.321 2.309 10 0 BEAEHN CCOc1ncc(CNC(C)C)s1 ZINC000045205448 170603701 /nfs/dbraw/zinc/60/37/01/170603701.db2.gz QOIVDFBYOFLCQM-UHFFFAOYSA-N 0 3 200.307 2.040 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCCCCCC1 ZINC000020265817 170776745 /nfs/dbraw/zinc/77/67/45/170776745.db2.gz FLCRXCMVIFGXDZ-VXGBXAGGSA-N 0 3 226.364 2.153 10 0 BEAEHN CC[C@@H](N[C@@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676855 170908856 /nfs/dbraw/zinc/90/88/56/170908856.db2.gz FZLAJAZMEOGKMC-GZMMTYOYSA-N 0 3 240.734 2.255 10 0 BEAEHN CC[C@@H]1CN(Cc2ccc(C)c(N)c2)CCN1C ZINC000104357359 171089212 /nfs/dbraw/zinc/08/92/12/171089212.db2.gz WJKPTHQFDRHBCS-CQSZACIVSA-N 0 3 247.386 2.103 10 0 BEAEHN CC[C@@H]1COCCN1CC1(CO)CCCCC1 ZINC000051293686 171106937 /nfs/dbraw/zinc/10/69/37/171106937.db2.gz BPFJEOYFOSSJFH-CYBMUJFWSA-N 0 3 241.375 2.040 10 0 BEAEHN CC[C@@H]1CO[C@H](c2ccc(F)c(F)c2)CN1 ZINC000036986269 171114570 /nfs/dbraw/zinc/11/45/70/171114570.db2.gz COFZICYWGKROAT-SKDRFNHKSA-N 0 3 227.254 2.404 10 0 BEAEHN CC[C@@](C)(O)CN(C)Cc1cccc(OC)c1 ZINC000168032546 171178539 /nfs/dbraw/zinc/17/85/39/171178539.db2.gz QXHNVUYPDPZKTQ-CQSZACIVSA-N 0 3 237.343 2.288 10 0 BEAEHN CC[C@@](C)(O)CN1CCc2sccc2C1 ZINC000119399941 171179590 /nfs/dbraw/zinc/17/95/90/171179590.db2.gz WOVCJXCQNMXYFV-GFCCVEGCSA-N 0 3 225.357 2.267 10 0 BEAEHN CC[C@@](C)(O)CN[C@@H]1CCc2c1cccc2O ZINC000087012050 171184572 /nfs/dbraw/zinc/18/45/72/171184572.db2.gz VMRSNQLNODYRSL-TZMCWYRMSA-N 0 3 235.327 2.130 10 0 BEAEHN CC[C@@](N)(c1ccccc1)c1cncnc1 ZINC000052887700 171192926 /nfs/dbraw/zinc/19/29/26/171192926.db2.gz AJMLQRHQXBCRQI-CYBMUJFWSA-N 0 3 213.284 2.089 10 0 BEAEHN CC[C@](N)(c1cnn(C)c1)c1ccccc1 ZINC000043462033 171193588 /nfs/dbraw/zinc/19/35/88/171193588.db2.gz IOEJNCQCMZAFGP-CYBMUJFWSA-N 0 3 215.300 2.032 10 0 BEAEHN CC[C@@](NCC(C)C)(C(N)=O)c1ccc(C)cc1 ZINC000037951856 171194845 /nfs/dbraw/zinc/19/48/45/171194845.db2.gz IXMQCIKVQUNUBF-HNNXBMFYSA-N 0 3 248.370 2.331 10 0 BEAEHN CC[C@H](C)N(C)C(=O)c1cccc(CN)c1 ZINC000037109135 171305131 /nfs/dbraw/zinc/30/51/31/171305131.db2.gz YOKOELWFDYJQQJ-JTQLQIEISA-N 0 3 220.316 2.016 10 0 BEAEHN CC[C@H](C)N(C)c1ncc([C@@H](C)N)s1 ZINC000054895202 171309246 /nfs/dbraw/zinc/30/92/46/171309246.db2.gz MISQCGIBLQPUQC-JGVFFNPUSA-N 0 3 213.350 2.398 10 0 BEAEHN CC[C@H](C)N[C@@](C(N)=O)(c1ccccc1)C(C)C ZINC000038065793 171347101 /nfs/dbraw/zinc/34/71/01/171347101.db2.gz VLPGCNQNTWSSBQ-SWLSCSKDSA-N 0 3 248.370 2.411 10 0 BEAEHN CC[C@H](C)Oc1nc(C)cc(C)c1CN ZINC000040509791 171357428 /nfs/dbraw/zinc/35/74/28/171357428.db2.gz YLWUBUPGDYARDD-JTQLQIEISA-N 0 3 208.305 2.334 10 0 BEAEHN CC[C@H](C)Sc1nnc(C)c(C)c1CN ZINC000040290654 171358366 /nfs/dbraw/zinc/35/83/66/171358366.db2.gz INTWMGDJPGMYSV-ZETCQYMHSA-N 0 3 225.361 2.443 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)Cc1ccccc1 ZINC000062188588 171395065 /nfs/dbraw/zinc/39/50/65/171395065.db2.gz QGKAQPITWJQPCQ-SCRDCRAPSA-N 0 3 248.370 2.107 10 0 BEAEHN CC[C@H](C)[C@H](N)c1nc2ccccc2n1CCO ZINC000037900716 171398201 /nfs/dbraw/zinc/39/82/01/171398201.db2.gz JRXTUPHJCYYELD-GWCFXTLKSA-N 0 3 247.342 2.075 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000662630658 412250064 /nfs/dbraw/zinc/25/00/64/412250064.db2.gz HHNQUIDLXYEXEI-CYBMUJFWSA-N 0 3 238.375 2.153 10 0 BEAEHN CCc1nc([C@@]2(N)CCSC2)sc1C ZINC000041060231 172005057 /nfs/dbraw/zinc/00/50/57/172005057.db2.gz ZRKKGGCGKPBFPE-SNVBAGLBSA-N 0 3 228.386 2.305 10 0 BEAEHN CCc1nccn1C[C@@H](N)c1ccccc1 ZINC000042419742 172024484 /nfs/dbraw/zinc/02/44/84/172024484.db2.gz FXBVTRZAUBZWNE-GFCCVEGCSA-N 0 3 215.300 2.146 10 0 BEAEHN CCc1nccn1[C@@H](CN)c1sccc1C ZINC000043249258 172028868 /nfs/dbraw/zinc/02/88/68/172028868.db2.gz YVNOXANEXAADIJ-JTQLQIEISA-N 0 3 235.356 2.364 10 0 BEAEHN CCn1c2cccc(F)c2nc1[C@@H](C)N ZINC000037442612 172147948 /nfs/dbraw/zinc/14/79/48/172147948.db2.gz OOMKDSLZZKHXRZ-SSDOTTSWSA-N 0 3 207.252 2.215 10 0 BEAEHN CN(Cc1ccsc1)[C@@H](CN)c1ccccn1 ZINC000035719104 172908956 /nfs/dbraw/zinc/90/89/56/172908956.db2.gz AGJRUPLPNAGZMI-ZDUSSCGKSA-N 0 3 247.367 2.275 10 0 BEAEHN CN1CCC([C@H]2Cc3ccccc3C2=O)CC1 ZINC000013449592 173000369 /nfs/dbraw/zinc/00/03/69/173000369.db2.gz MYHFJXQJXDZOAD-CQSZACIVSA-N 0 3 229.323 2.383 10 0 BEAEHN CN1CCC[C@@H](Nc2ccc(Cl)cc2N)C1 ZINC000040715829 173020648 /nfs/dbraw/zinc/02/06/48/173020648.db2.gz HYQHLKOXJPPMLD-SNVBAGLBSA-N 0 3 239.750 2.428 10 0 BEAEHN CN1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC000003638700 173039924 /nfs/dbraw/zinc/03/99/24/173039924.db2.gz GKNNRYJKHVPYCJ-ZDUSSCGKSA-N 0 3 233.311 2.072 10 0 BEAEHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CO)C1 ZINC000013779622 173128332 /nfs/dbraw/zinc/12/83/32/173128332.db2.gz MVNHJEXPDKVMJY-YPMHNXCESA-N 0 3 239.746 2.368 10 0 BEAEHN CN1CC[C@H](c2nc3ccccc3o2)C1 ZINC000049168873 173158222 /nfs/dbraw/zinc/15/82/22/173158222.db2.gz HNGIJUZVDGTUID-VIFPVBQESA-N 0 3 202.257 2.247 10 0 BEAEHN CN1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000028014085 173174488 /nfs/dbraw/zinc/17/44/88/173174488.db2.gz RRVAXYNIZVUICS-UHFFFAOYSA-N 0 3 213.284 2.065 10 0 BEAEHN CNC(=O)Oc1cccc([C@@H](C)N(C)C)c1 ZINC000000967935 173293300 /nfs/dbraw/zinc/29/33/00/173293300.db2.gz KQOUPMYYRQWZLI-SECBINFHSA-N 0 3 222.288 2.027 10 0 in-vitro BEAEHN CNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000042560957 173295064 /nfs/dbraw/zinc/29/50/64/173295064.db2.gz NMKBFKTZOVMYMT-QWHCGFSZSA-N 0 3 248.370 2.397 10 0 BEAEHN CNC(=O)[C@H](C)N[C@H](C)c1c(C)cc(C)cc1C ZINC000042560572 173303602 /nfs/dbraw/zinc/30/36/02/173303602.db2.gz FPPDGPPGRCFVSU-OLZOCXBDSA-N 0 3 248.370 2.397 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cc(C)ccc1C ZINC000061300179 173318202 /nfs/dbraw/zinc/31/82/02/173318202.db2.gz YAVCILDXNRTSQJ-UHFFFAOYSA-N 0 3 220.316 2.240 10 0 BEAEHN CNCC(=O)c1c[nH]c2c1cccc2Cl ZINC000082599758 173335424 /nfs/dbraw/zinc/33/54/24/173335424.db2.gz YOMBLARWAZYEJW-UHFFFAOYSA-N 0 3 222.675 2.223 10 0 BEAEHN CNCc1c(C)nc(-c2cccc(C)n2)nc1C ZINC000104162401 173383890 /nfs/dbraw/zinc/38/38/90/173383890.db2.gz CEOMTJJJLHFRRL-UHFFFAOYSA-N 0 3 242.326 2.183 10 0 BEAEHN CNCc1c(C)nn(Cc2ccsc2)c1C ZINC000036868509 173384711 /nfs/dbraw/zinc/38/47/11/173384711.db2.gz AYAHABCYTGSCHN-UHFFFAOYSA-N 0 3 235.356 2.329 10 0 BEAEHN CNCc1cc(-c2cccnc2)ccc1OC ZINC000038069940 173386414 /nfs/dbraw/zinc/38/64/14/173386414.db2.gz QPXIVIKAYNIZST-UHFFFAOYSA-N 0 3 228.295 2.477 10 0 BEAEHN CNCc1cc(CN2CCC(C)(C)CC2)on1 ZINC000061823089 173387291 /nfs/dbraw/zinc/38/72/91/173387291.db2.gz NYPACTZOTAINGQ-UHFFFAOYSA-N 0 3 237.347 2.016 10 0 BEAEHN CNCc1cc2c(cc1OCC(C)C)OCO2 ZINC000044418036 173387359 /nfs/dbraw/zinc/38/73/59/173387359.db2.gz ZWTPLGJQWVFRMR-UHFFFAOYSA-N 0 3 237.299 2.170 10 0 BEAEHN CNCc1cc2ccccc2c(N(C)C)n1 ZINC000051436754 173387876 /nfs/dbraw/zinc/38/78/76/173387876.db2.gz WDEBAXYYULGUFY-UHFFFAOYSA-N 0 3 215.300 2.020 10 0 BEAEHN CNCc1ccccc1NC(=O)C=C(C)C ZINC000036281045 173390195 /nfs/dbraw/zinc/39/01/95/173390195.db2.gz YWYAOVOIVIWBLU-UHFFFAOYSA-N 0 3 218.300 2.311 10 0 BEAEHN CNCc1ccnc(-c2cccc(C)c2)n1 ZINC000045206116 173391042 /nfs/dbraw/zinc/39/10/42/173391042.db2.gz BXIUVWHLVNQUEB-UHFFFAOYSA-N 0 3 213.284 2.171 10 0 BEAEHN CNCc1cnc(Cc2ccc(OC)cc2)s1 ZINC000042390275 173392189 /nfs/dbraw/zinc/39/21/89/173392189.db2.gz ACKPFJFCLNKRCT-UHFFFAOYSA-N 0 3 248.351 2.462 10 0 BEAEHN CNCc1cnc(N2CCC[C@@H](C)C2)s1 ZINC000054900615 173392394 /nfs/dbraw/zinc/39/23/94/173392394.db2.gz MYFYEJPUBSPDPL-SECBINFHSA-N 0 3 225.361 2.099 10 0 BEAEHN CNCc1cnc(-c2ccccc2C)nc1 ZINC000054855519 173392567 /nfs/dbraw/zinc/39/25/67/173392567.db2.gz UXGUJHUHYFLCJG-UHFFFAOYSA-N 0 3 213.284 2.171 10 0 BEAEHN CNCc1cnc(-c2cccc(F)c2)nc1 ZINC000054855424 173392718 /nfs/dbraw/zinc/39/27/18/173392718.db2.gz DYOWCMGWRCGJAD-UHFFFAOYSA-N 0 3 217.247 2.002 10 0 BEAEHN CNCc1nc(-c2cccc(Cl)c2)c[nH]1 ZINC000036877316 173397375 /nfs/dbraw/zinc/39/73/75/173397375.db2.gz OHWVIZPRTCFKFE-UHFFFAOYSA-N 0 3 221.691 2.450 10 0 BEAEHN CN[C@H](C)c1cc(C)ccc1O[C@H]1CCOC1 ZINC000070071689 173448581 /nfs/dbraw/zinc/44/85/81/173448581.db2.gz WMIWTYUNVRJEMG-NEPJUHHUSA-N 0 3 235.327 2.443 10 0 BEAEHN COC(=O)C[C@H](C)N[C@H](C)c1cccc(F)c1 ZINC000049529922 173633434 /nfs/dbraw/zinc/63/34/34/173633434.db2.gz XUIIIZPJTJVJJB-VHSXEESVSA-N 0 3 239.290 2.428 10 0 BEAEHN COCCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000103226628 174177552 /nfs/dbraw/zinc/17/75/52/174177552.db2.gz XCCGVGOTAFCVGT-KBPBESRZSA-N 0 3 241.375 2.447 10 0 BEAEHN COCCCO[C@H]1CCc2ccccc2[C@H]1N ZINC000037747210 174257080 /nfs/dbraw/zinc/25/70/80/174257080.db2.gz UQBGBWCNBWCZCX-UONOGXRCSA-N 0 3 235.327 2.054 10 0 BEAEHN COCCOCc1cc(CNCC(C)C)co1 ZINC000052628278 174364297 /nfs/dbraw/zinc/36/42/97/174364297.db2.gz QYGVMTGNMSWFSG-UHFFFAOYSA-N 0 3 241.331 2.188 10 0 BEAEHN COc1cc2c(c(C(C)(C)C)c1)OC[C@H]2N ZINC000035652777 175019305 /nfs/dbraw/zinc/01/93/05/175019305.db2.gz MLQJKWZWQUVLQS-LLVKDONJSA-N 0 3 221.300 2.385 10 0 BEAEHN COc1ccc(Br)cc1C1(N)CC1 ZINC000071551271 175051056 /nfs/dbraw/zinc/05/10/56/175051056.db2.gz MJOODNWFDYMBOT-UHFFFAOYSA-N 0 3 242.116 2.406 10 0 BEAEHN COc1ccc(C(C)C)cc1CNC[C@@H](C)O ZINC000098126250 175069276 /nfs/dbraw/zinc/06/92/76/175069276.db2.gz YEGTWVKJFHGOSH-LLVKDONJSA-N 0 3 237.343 2.289 10 0 BEAEHN COc1ccc(C)cc1[C@H](O)CN1CCCC1 ZINC000042244539 175082175 /nfs/dbraw/zinc/08/21/75/175082175.db2.gz ZSRWMKBCVIWBGX-CYBMUJFWSA-N 0 3 235.327 2.133 10 0 BEAEHN COc1ccc(COc2ncccc2CN)cc1 ZINC000019965611 175114113 /nfs/dbraw/zinc/11/41/13/175114113.db2.gz YULZKJGQELBNQN-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1ccc(COc2cc(CN)ccn2)cc1 ZINC000019965609 175114530 /nfs/dbraw/zinc/11/45/30/175114530.db2.gz LFYPKNJVQRQALI-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1ccc(F)cc1CN[C@@H]1C[C@@H]1C ZINC000291290057 175129677 /nfs/dbraw/zinc/12/96/77/175129677.db2.gz VNFVLNUMTFVFBN-GZMMTYOYSA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(F)cc1[C@@H](N)[C@H]1CCCO1 ZINC000034957124 175132021 /nfs/dbraw/zinc/13/20/21/175132021.db2.gz YFNJZZIQNWWDQN-VXGBXAGGSA-N 0 3 225.263 2.013 10 0 BEAEHN COc1ccc(NC(=O)CNC2CCCC2)cc1 ZINC000020037052 175143034 /nfs/dbraw/zinc/14/30/34/175143034.db2.gz LCBJHRCDIXLUDU-UHFFFAOYSA-N 0 3 248.326 2.166 10 0 BEAEHN COc1ccc(NC(=O)[C@@H]2NCCC[C@H]2C)cc1 ZINC000051790690 175145786 /nfs/dbraw/zinc/14/57/86/175145786.db2.gz OROPGGHMJOUIMP-ZWNOBZJWSA-N 0 3 248.326 2.022 10 0 BEAEHN COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)N2)cc1 ZINC000019505810 175145862 /nfs/dbraw/zinc/14/58/62/175145862.db2.gz ODXQOPHQNYPDDB-MFKMUULPSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1ccc(NC(=O)[C@H]2NCCC[C@@H]2C)cc1 ZINC000051790687 175147362 /nfs/dbraw/zinc/14/73/62/175147362.db2.gz OROPGGHMJOUIMP-GWCFXTLKSA-N 0 3 248.326 2.022 10 0 BEAEHN COc1ccc([C@@H]2CNC[C@@H](C)O2)cc1C ZINC000071523075 175184233 /nfs/dbraw/zinc/18/42/33/175184233.db2.gz CMJLOXIOSXREED-MFKMUULPSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc([C@@H]2CNC[C@H](C)O2)cc1C ZINC000071523073 175184269 /nfs/dbraw/zinc/18/42/69/175184269.db2.gz CMJLOXIOSXREED-GWCFXTLKSA-N 0 3 221.300 2.053 10 0 BEAEHN COc1ccc([C@H]2CNC(C)(C)CO2)cc1 ZINC000011803229 175195654 /nfs/dbraw/zinc/19/56/54/175195654.db2.gz HVORQVGDKYCERE-GFCCVEGCSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccc2c(c1)C1(CCC1)C(=N)N2 ZINC000103244972 175206687 /nfs/dbraw/zinc/20/66/87/175206687.db2.gz UGDJPZPXULLPFP-UHFFFAOYSA-N 0 3 202.257 2.119 10 0 BEAEHN COc1ccc2c(c1)C1(CC1)CN[C@H]2C ZINC000071508636 175206821 /nfs/dbraw/zinc/20/68/21/175206821.db2.gz UXERRNWJAJPMEO-VIFPVBQESA-N 0 3 203.285 2.391 10 0 BEAEHN COc1ccc2c(c1)CC[C@@H](n1ccnc1)[C@@H]2N ZINC000019264108 175209556 /nfs/dbraw/zinc/20/95/56/175209556.db2.gz ZXNARMDEXQMJAQ-ZIAGYGMSSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1ccc2c(c1)CC[C@@H](n1cccn1)[C@@H]2N ZINC000019270988 175209588 /nfs/dbraw/zinc/20/95/88/175209588.db2.gz COYSHJQTPLECRV-ZIAGYGMSSA-N 0 3 243.310 2.079 10 0 BEAEHN COc1ccc2c(c1)[C@@H](N)CC1(CCOCC1)O2 ZINC000075761558 175214709 /nfs/dbraw/zinc/21/47/09/175214709.db2.gz QFARJQXLHARJGQ-LBPRGKRZSA-N 0 3 249.310 2.027 10 0 BEAEHN COc1ccc2c(c1)[C@H](N[C@@H]1CCO[C@@H]1C)CC2 ZINC000134245454 175215856 /nfs/dbraw/zinc/21/58/56/175215856.db2.gz PNIDSFKZXZKTEI-VCTAVGKDSA-N 0 3 247.338 2.450 10 0 BEAEHN COc1ccc2c(c1)[C@H](N[C@H]1CCO[C@@H]1C)CC2 ZINC000134245490 175217138 /nfs/dbraw/zinc/21/71/38/175217138.db2.gz PNIDSFKZXZKTEI-WKPIXPDZSA-N 0 3 247.338 2.450 10 0 BEAEHN COc1ccc2c(c1)nc([C@H](N)C(C)C)n2C ZINC000075854250 175219922 /nfs/dbraw/zinc/21/99/22/175219922.db2.gz WHANWLKSPWMCBJ-GFCCVEGCSA-N 0 3 233.315 2.238 10 0 BEAEHN COc1ccc2c(c1OC)[C@@H](C)N(C)CC2 ZINC000014723342 175222962 /nfs/dbraw/zinc/22/29/62/175222962.db2.gz PTJFNGNDALZPKH-SECBINFHSA-N 0 3 221.300 2.253 10 0 BEAEHN COc1ccc2oc([C@]3(C)CCCN3)nc2c1 ZINC000083076524 175231847 /nfs/dbraw/zinc/23/18/47/175231847.db2.gz OSANWXKQAARZBB-ZDUSSCGKSA-N 0 3 232.283 2.435 10 0 BEAEHN COc1ccc2oc([C@H]3CCCN3)nc2c1 ZINC000062526908 175232368 /nfs/dbraw/zinc/23/23/68/175232368.db2.gz IPZIGCCBKPYMOO-SECBINFHSA-N 0 3 218.256 2.261 10 0 BEAEHN COc1cccc(-c2ccc(CN)cn2)c1 ZINC000096094094 175234434 /nfs/dbraw/zinc/23/44/34/175234434.db2.gz GGVXMTCZVXTJQC-UHFFFAOYSA-N 0 3 214.268 2.216 10 0 BEAEHN COc1cccc(-c2n[nH]c3c2CN(C)CC3)c1 ZINC000082807635 175236401 /nfs/dbraw/zinc/23/64/01/175236401.db2.gz NSMFKLPKTIKWNL-UHFFFAOYSA-N 0 3 243.310 2.073 10 0 BEAEHN COc1cccc(CNCc2ccc[nH]2)c1 ZINC000048436101 175265484 /nfs/dbraw/zinc/26/54/84/175265484.db2.gz SAWYEEJSXLMQHR-UHFFFAOYSA-N 0 3 216.284 2.313 10 0 BEAEHN COc1cccc(C[C@@H](N)c2ccnc(C)n2)c1 ZINC000096986406 175271523 /nfs/dbraw/zinc/27/15/23/175271523.db2.gz JVUGSZUMXSZXEX-CYBMUJFWSA-N 0 3 243.310 2.036 10 0 BEAEHN COc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)N2)c1 ZINC000019511018 175277648 /nfs/dbraw/zinc/27/76/48/175277648.db2.gz WSSUKRIIZLMRHS-MFKMUULPSA-N 0 3 248.326 2.164 10 0 BEAEHN COc1cccc([C@@H](N)c2cccn2C)c1 ZINC000011848701 175288638 /nfs/dbraw/zinc/28/86/38/175288638.db2.gz ODKJAZLAOBDMHB-CYBMUJFWSA-N 0 3 216.284 2.082 10 0 BEAEHN COc1cccc([C@@H]2CNC(C)(C)CO2)c1 ZINC000011803224 175290446 /nfs/dbraw/zinc/29/04/46/175290446.db2.gz FWXVHDIDKUFLFP-LBPRGKRZSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1cccc([C@H](N)c2cnccc2C)c1 ZINC000082350581 175294909 /nfs/dbraw/zinc/29/49/09/175294909.db2.gz RQSLOJUFIRQQQZ-AWEZNQCLSA-N 0 3 228.295 2.447 10 0 BEAEHN COc1cccc([C@H]2CN(C(C)C)CCN2)c1 ZINC000077369942 175296211 /nfs/dbraw/zinc/29/62/11/175296211.db2.gz JVGAJYDBWLHABG-CQSZACIVSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccccc1-c1cccc(C(=N)N)n1 ZINC000071186728 175309673 /nfs/dbraw/zinc/30/96/73/175309673.db2.gz USGGIJRJRNSKJV-UHFFFAOYSA-N 0 3 227.267 2.041 10 0 BEAEHN COc1ccccc1CC[C@@H]1COC[C@@H](C)N1 ZINC000071545503 175323181 /nfs/dbraw/zinc/32/31/81/175323181.db2.gz PTYIHTQDBBCHKQ-DGCLKSJQSA-N 0 3 235.327 2.005 10 0 BEAEHN COc1ccccc1CN(C[C@@H](C)O)C(C)C ZINC000036102851 175326055 /nfs/dbraw/zinc/32/60/55/175326055.db2.gz YCIREIJVARIFSF-GFCCVEGCSA-N 0 3 237.343 2.286 10 0 BEAEHN COc1ccccc1CN(C)[C@@H]1CCC[C@H]1O ZINC000226279763 175326400 /nfs/dbraw/zinc/32/64/00/175326400.db2.gz YRZGTTZBANNEMK-CHWSQXEVSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1CN1CCC[C@H](O)[C@@H]1C ZINC000294930698 175327392 /nfs/dbraw/zinc/32/73/92/175327392.db2.gz GFJMSGGDEGSOQI-AAEUAGOBSA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1CNC1=N[C@H](C)CS1 ZINC000035294395 175329425 /nfs/dbraw/zinc/32/94/25/175329425.db2.gz GVIUATJDCOTHIT-SECBINFHSA-N 0 3 236.340 2.276 10 0 BEAEHN COc1ccccc1Oc1ccc(CN)cn1 ZINC000022178162 175343032 /nfs/dbraw/zinc/34/30/32/175343032.db2.gz ADBMWNDZVRANHR-UHFFFAOYSA-N 0 3 230.267 2.341 10 0 BEAEHN COc1ccccc1[C@@H](N)CN1CCCCC1 ZINC000023066660 175347344 /nfs/dbraw/zinc/34/73/44/175347344.db2.gz CSYGAOTYBWQVHO-ZDUSSCGKSA-N 0 3 234.343 2.181 10 0 BEAEHN COc1ccccc1[C@@H]1CNC(C)(C)CO1 ZINC000011803220 175349155 /nfs/dbraw/zinc/34/91/55/175349155.db2.gz DELZORBSUKCZJJ-LBPRGKRZSA-N 0 3 221.300 2.135 10 0 BEAEHN COc1ccccc1[C@H]1CNCCN1C(C)C ZINC000077369924 175355475 /nfs/dbraw/zinc/35/54/75/175355475.db2.gz ZKWFBHXEHCYSET-CYBMUJFWSA-N 0 3 234.343 2.050 10 0 BEAEHN COc1ccccc1[C@](C)(N)c1cncc(F)c1 ZINC000049576015 175356130 /nfs/dbraw/zinc/35/61/30/175356130.db2.gz UQXBTTQSESSPEF-CQSZACIVSA-N 0 3 246.285 2.452 10 0 BEAEHN C[C@@H](C1CC1)N(C)c1ccc(Cl)c(CN)n1 ZINC000051396946 175634473 /nfs/dbraw/zinc/63/44/73/175634473.db2.gz UQXLNMOZBHLGHV-QMMMGPOBSA-N 0 3 239.750 2.428 10 0 BEAEHN C[C@@H](N[C@H](C)c1cccs1)C(=O)NC1CC1 ZINC000035138585 175921081 /nfs/dbraw/zinc/92/10/81/175921081.db2.gz VPZZWQRHJIPXLS-RKDXNWHRSA-N 0 3 238.356 2.066 10 0 BEAEHN C[C@@H]([C@@H](N)c1ccccc1)n1ccnc1 ZINC000023070820 176011654 /nfs/dbraw/zinc/01/16/54/176011654.db2.gz DCHONAQTARXODU-CMPLNLGQSA-N 0 3 201.273 2.144 10 0 BEAEHN C[C@@H]([C@H](O)c1ccccc1)N1CCCO[C@H](C)C1 ZINC000061932773 176012514 /nfs/dbraw/zinc/01/25/14/176012514.db2.gz ZJERXGPXQQUWGO-IPYPFGDCSA-N 0 3 249.354 2.219 10 0 BEAEHN C[C@@H](c1ccc(N)cc1)N1CCCOCC1 ZINC000061914061 176015644 /nfs/dbraw/zinc/01/56/44/176015644.db2.gz ZNRUWZFLFSQIQU-NSHDSACASA-N 0 3 220.316 2.052 10 0 BEAEHN C[C@@H](c1ccco1)N1CCC[C@@H](CO)C1 ZINC000100248611 176032779 /nfs/dbraw/zinc/03/27/79/176032779.db2.gz NCWYDXBZXZRAQK-WDEREUQCSA-N 0 3 209.289 2.045 10 0 BEAEHN C[C@@H]1CCCCN1CCNCc1ccco1 ZINC000048326819 176070272 /nfs/dbraw/zinc/07/02/72/176070272.db2.gz CBSLLBUIYTZLIE-GFCCVEGCSA-N 0 3 222.332 2.244 10 0 BEAEHN C[C@@H]1CCCC[C@@]1(NCc1ccccc1)C(N)=O ZINC000037941226 176083728 /nfs/dbraw/zinc/08/37/28/176083728.db2.gz PTJVKHBUKUARNV-DOMZBBRYSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@@H]1CCCN(Cc2ccc(CN)o2)[C@@H]1C ZINC000052373314 176102233 /nfs/dbraw/zinc/10/22/33/176102233.db2.gz OMEXHCWLITZGBI-GHMZBOCLSA-N 0 3 222.332 2.359 10 0 BEAEHN C[C@@H]1CCCN1[C@@H](CN)c1cc(F)ccc1F ZINC000037910219 176110141 /nfs/dbraw/zinc/11/01/41/176110141.db2.gz LSAZRZVADYMZJG-RNCFNFMXSA-N 0 3 240.297 2.449 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3C2)N1 ZINC000050912608 176112340 /nfs/dbraw/zinc/11/23/40/176112340.db2.gz WMRUMDZKXGIQII-RISCZKNCSA-N 0 3 244.338 2.059 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)c2ccccc2)N1 ZINC000019480169 176112673 /nfs/dbraw/zinc/11/26/73/176112673.db2.gz RSCSVPBVYQWVLN-YPMHNXCESA-N 0 3 232.327 2.180 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2)N1 ZINC000019431489 176113913 /nfs/dbraw/zinc/11/39/13/176113913.db2.gz AXBDMGYMFZZUTQ-SKDRFNHKSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@@H]1CCC[C@@H](c2ncc(CN)cn2)C1 ZINC000054855304 176126319 /nfs/dbraw/zinc/12/63/19/176126319.db2.gz IRMNLMIQENOPMT-MWLCHTKSSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)NCCC2CCCC2)N1 ZINC000037741556 176135527 /nfs/dbraw/zinc/13/55/27/176135527.db2.gz MHUPBVDKBLZGHY-DGCLKSJQSA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000120514817 176135603 /nfs/dbraw/zinc/13/56/03/176135603.db2.gz DUKUEAQWZXREPT-AGIUHOORSA-N 0 3 238.375 2.023 10 0 BEAEHN C[C@@H]1CCC[C@H](Oc2ncccc2C(=N)N)C1 ZINC000036915120 176146432 /nfs/dbraw/zinc/14/64/32/176146432.db2.gz BYDRCNREEBDIFJ-ZJUUUORDSA-N 0 3 233.315 2.323 10 0 BEAEHN C[C@@H]1CCN(CCNCc2ccccn2)[C@H](C)C1 ZINC000053387134 176171376 /nfs/dbraw/zinc/17/13/76/176171376.db2.gz XFHSNPLKATUDMH-ZIAGYGMSSA-N 0 3 247.386 2.292 10 0 BEAEHN C[C@@H]1CCc2nc(C(C)(C)N)sc2C1 ZINC000041059490 176239979 /nfs/dbraw/zinc/23/99/79/176239979.db2.gz VIRRXVRMQCLLSN-SSDOTTSWSA-N 0 3 210.346 2.462 10 0 BEAEHN C[C@@H]1CN(C)C[C@H]1N[C@H]1CCOc2ccccc21 ZINC000358091779 176278053 /nfs/dbraw/zinc/27/80/53/176278053.db2.gz VWIROWHZCDCPTK-KWCYVHTRSA-N 0 3 246.354 2.050 10 0 BEAEHN C[C@@H]1CN([C@H]2CNc3ccccc3C2)CCCO1 ZINC000061919027 176318245 /nfs/dbraw/zinc/31/82/45/176318245.db2.gz MJEGTJRZDLVVDW-TZMCWYRMSA-N 0 3 246.354 2.134 10 0 BEAEHN C[C@@H]1CN=C(NCCc2cccs2)S1 ZINC000035294985 176323785 /nfs/dbraw/zinc/32/37/85/176323785.db2.gz AMKFCDMSCVBMJB-MRVPVSSYSA-N 0 3 226.370 2.372 10 0 BEAEHN C[C@@H]1CSC(NCc2ccc(F)cc2)=N1 ZINC000035294949 176349327 /nfs/dbraw/zinc/34/93/27/176349327.db2.gz XCSXRCJRXXRAQL-MRVPVSSYSA-N 0 3 224.304 2.407 10 0 BEAEHN C[C@@H]1CSC[C@H]1N[C@H]1COc2ccccc21 ZINC000287455407 176355805 /nfs/dbraw/zinc/35/58/05/176355805.db2.gz LPHCRFXGGHDMPO-ADEWGFFLSA-N 0 3 235.352 2.461 10 0 BEAEHN C[C@@H]1C[C@@H](N(C)C(=O)C2CCCC2)CCN1C ZINC000123694488 176371189 /nfs/dbraw/zinc/37/11/89/176371189.db2.gz GJZOCIPZHDGIPC-YPMHNXCESA-N 0 3 238.375 2.118 10 0 BEAEHN C[C@H](Cc1ccccc1)Nc1nccn1C ZINC000062187908 176724444 /nfs/dbraw/zinc/72/44/44/176724444.db2.gz WRCCODIHGSHGJM-LLVKDONJSA-N 0 3 215.300 2.463 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1cccc(O)c1 ZINC000134057131 176924822 /nfs/dbraw/zinc/92/48/22/176924822.db2.gz MSNYANXPHBVKPX-CWSCBRNRSA-N 0 3 221.300 2.220 10 0 BEAEHN C[C@H](OC[C@@H]1CCOC1)[C@@H](N)c1ccccc1 ZINC000049689426 177021303 /nfs/dbraw/zinc/02/13/03/177021303.db2.gz UWRUGRXSBGHAIN-OUCADQQQSA-N 0 3 235.327 2.128 10 0 BEAEHN C[C@H](c1ccccc1)N1CCO[C@H](CN(C)C)C1 ZINC000105925500 177039839 /nfs/dbraw/zinc/03/98/39/177039839.db2.gz QBTIMEJJLHPLGP-UKRRQHHQSA-N 0 3 248.370 2.010 10 0 BEAEHN C[C@H]1CCCCN1Cc1ccc(CN)o1 ZINC000052378728 177077815 /nfs/dbraw/zinc/07/78/15/177077815.db2.gz DWMHOKLAUNIGJR-JTQLQIEISA-N 0 3 208.305 2.113 10 0 BEAEHN C[C@H]1CCCC[C@H]1Oc1ccc(CN)cn1 ZINC000019280543 177090276 /nfs/dbraw/zinc/09/02/76/177090276.db2.gz BUNFRNZKPAUJIK-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044117592 177104360 /nfs/dbraw/zinc/10/43/60/177104360.db2.gz GPRANTOFKJBPLY-LNSITVRQSA-N 0 3 247.338 2.213 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C)N1 ZINC000019513735 177113419 /nfs/dbraw/zinc/11/34/19/177113419.db2.gz VTIFPPPKPVGFGU-RVMXOQNASA-N 0 3 238.375 2.212 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2)N1 ZINC000019431491 177113449 /nfs/dbraw/zinc/11/34/49/177113449.db2.gz AXBDMGYMFZZUTQ-CABZTGNLSA-N 0 3 236.290 2.295 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)N(C)c2ccccc2)N1 ZINC000019480174 177129393 /nfs/dbraw/zinc/12/93/93/177129393.db2.gz RSCSVPBVYQWVLN-WCQYABFASA-N 0 3 232.327 2.180 10 0 BEAEHN C[C@H]1CCC[C@H](Oc2cc(CN)ccn2)C1 ZINC000034958118 177138066 /nfs/dbraw/zinc/13/80/66/177138066.db2.gz XZJVUWGPHXZAGW-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@H](Oc2ncccc2CN)C1 ZINC000026514765 177138866 /nfs/dbraw/zinc/13/88/66/177138866.db2.gz HICORWTVYGLNKO-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@H](c2nccc(CN)n2)C1 ZINC000054791064 177139411 /nfs/dbraw/zinc/13/94/11/177139411.db2.gz MJOUPGHWWBAVRX-UWVGGRQHSA-N 0 3 205.305 2.229 10 0 BEAEHN C[C@H]1CCC[C@](CO)(NCc2ccco2)C1 ZINC000053115455 177143469 /nfs/dbraw/zinc/14/34/69/177143469.db2.gz FKIFQNVIQXVQSR-AAEUAGOBSA-N 0 3 223.316 2.310 10 0 BEAEHN C[C@@H]1C[C@@H](C)CCN1Cc1cccnc1N ZINC000052731754 177164923 /nfs/dbraw/zinc/16/49/23/177164923.db2.gz HKUCJJDBYPTXAX-WDEREUQCSA-N 0 3 219.332 2.284 10 0 BEAEHN C[C@H]1CCN(c2ncccc2CNC2CC2)C1 ZINC000051448276 177172741 /nfs/dbraw/zinc/17/27/41/177172741.db2.gz IISYFHWIJFUCNL-NSHDSACASA-N 0 3 231.343 2.180 10 0 BEAEHN C[C@H]1CCN[C@@H](C(=O)NCC2CCCCC2)C1 ZINC000126108717 177175031 /nfs/dbraw/zinc/17/50/31/177175031.db2.gz UZULDVZGGXHSNY-WCQYABFASA-N 0 3 238.375 2.071 10 0 BEAEHN C[C@H]1CN(CCc2ccccn2)CCS1 ZINC000171703066 177255087 /nfs/dbraw/zinc/25/50/87/177255087.db2.gz URMPORVSWWMRGP-NSHDSACASA-N 0 3 222.357 2.061 10 0 BEAEHN C[C@H]1CN(C[C@@H]2CCCCC2=O)CC(C)(C)O1 ZINC000060720375 177256934 /nfs/dbraw/zinc/25/69/34/177256934.db2.gz BTPSNZFDHYZVSS-RYUDHWBXSA-N 0 3 239.359 2.245 10 0 BEAEHN C[C@H]1CN(Cc2cccc3c2NCC3)CCCO1 ZINC000130547487 177265267 /nfs/dbraw/zinc/26/52/67/177265267.db2.gz KGWGZYCBJFAYIY-LBPRGKRZSA-N 0 3 246.354 2.265 10 0 BEAEHN C[C@H]1CSC(NCc2ccccc2F)=N1 ZINC000035294993 177303288 /nfs/dbraw/zinc/30/32/88/177303288.db2.gz UAFOYZHNMDUUEI-QMMMGPOBSA-N 0 3 224.304 2.407 10 0 BEAEHN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCC[C@H](C)N2)C1 ZINC000034689365 177311813 /nfs/dbraw/zinc/31/18/13/177311813.db2.gz LNLBJODJZWUGJB-QNWHQSFQSA-N 0 3 238.375 2.022 10 0 BEAEHN C[C@H]1C[C@@H](NCCn2cncn2)c2ccccc21 ZINC000288536573 177331852 /nfs/dbraw/zinc/33/18/52/177331852.db2.gz ADNZNMMIMZFAAL-SMDDNHRTSA-N 0 3 242.326 2.116 10 0 BEAEHN C[C@H]1C[C@@H]1NCC1=Cc2ccccc2OC1 ZINC000105437100 177350033 /nfs/dbraw/zinc/35/00/33/177350033.db2.gz XMOMPUVJHGXNEG-GWCFXTLKSA-N 0 3 215.296 2.460 10 0 BEAEHN C[C@@H]1C[C@@H](CNCc2cscn2)C[C@H](C)O1 ZINC000282053699 177363719 /nfs/dbraw/zinc/36/37/19/177363719.db2.gz AZCYHSZIRQZYGD-JGPRNRPPSA-N 0 3 240.372 2.436 10 0 BEAEHN C[C@H]1C[C@H]1NCC(=O)Nc1ccccc1Cl ZINC000052287691 177385499 /nfs/dbraw/zinc/38/54/99/177385499.db2.gz WBAXTEHCQYOFQG-GZMMTYOYSA-N 0 3 238.718 2.277 10 0 BEAEHN C[C@H]1C[C@H]1c1ccc([C@@H](CN)N2CCCC2)o1 ZINC000019260884 177387385 /nfs/dbraw/zinc/38/73/85/177387385.db2.gz DVIHAEYSQGMIII-QJPTWQEYSA-N 0 3 234.343 2.499 10 0 BEAEHN CO[C@H](CN1C[C@H](C)C[C@@H](O)C1)c1ccccc1 ZINC000401569607 226359711 /nfs/dbraw/zinc/35/97/11/226359711.db2.gz DDZQCPAGGSKPIJ-BPLDGKMQSA-N 0 3 249.354 2.077 10 0 BEAEHN Cc1cccc(OCCN2C[C@@H](C)C[C@H](O)C2)c1 ZINC000401853128 226362274 /nfs/dbraw/zinc/36/22/74/226362274.db2.gz VSLUINKXPLMYSJ-KBPBESRZSA-N 0 3 249.354 2.077 10 0 BEAEHN Cc1cc(F)ccc1CN1C[C@H](C)C[C@@H](O)C1 ZINC000401969750 226364136 /nfs/dbraw/zinc/36/41/36/226364136.db2.gz YFMXRMWTJKDENJ-QMTHXVAHSA-N 0 3 237.318 2.337 10 0 BEAEHN CC1CC(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000568500556 322936106 /nfs/dbraw/zinc/93/61/06/322936106.db2.gz OJOJJQCNXFREMJ-UHFFFAOYSA-N 0 3 230.311 2.274 10 0 BEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000054074543 487680631 /nfs/dbraw/zinc/68/06/31/487680631.db2.gz SHLVTOGVMIMSRF-VXGBXAGGSA-N 0 3 234.343 2.089 10 0 BEAEHN CN(Cc1cccnc1)C[C@H]1CCC[C@@H](O)C1 ZINC000383923938 487680733 /nfs/dbraw/zinc/68/07/33/487680733.db2.gz RKJQZNPOIVSSAI-GXTWGEPZSA-N 0 3 234.343 2.065 10 0 BEAEHN CN(Cc1cccnc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000383923952 487681231 /nfs/dbraw/zinc/68/12/31/487681231.db2.gz RKJQZNPOIVSSAI-TZMCWYRMSA-N 0 3 234.343 2.065 10 0 BEAEHN COc1ccc([C@H](N)CF)cc1Cl ZINC000306821710 262775637 /nfs/dbraw/zinc/77/56/37/262775637.db2.gz PMJDMECQABLWPR-MRVPVSSYSA-N 0 3 203.644 2.318 10 0 BEAEHN CNCc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000249847646 487724625 /nfs/dbraw/zinc/72/46/25/487724625.db2.gz GAURCQPHJDZQLG-CLLJXQQHSA-N 0 3 244.338 2.391 10 0 BEAEHN C[C@H]1[C@H](O)CCCN1CCOCc1ccccc1 ZINC000384953459 487755540 /nfs/dbraw/zinc/75/55/40/487755540.db2.gz VQEMYJNPSXDXBU-DZGCQCFKSA-N 0 3 249.354 2.048 10 0 BEAEHN C[C@@H]1[C@@H](O)CCCN1CCOCc1ccccc1 ZINC000384953460 487755436 /nfs/dbraw/zinc/75/54/36/487755436.db2.gz VQEMYJNPSXDXBU-HIFRSBDPSA-N 0 3 249.354 2.048 10 0 BEAEHN CC(C)[C@@H]1CNCCN1c1ccc(Cl)cn1 ZINC000083367687 487904803 /nfs/dbraw/zinc/90/48/03/487904803.db2.gz AYEQQIAHUIBGGF-NSHDSACASA-N 0 3 239.750 2.169 10 0 BEAEHN OC1CC(CNCc2ccsc2Cl)C1 ZINC000312634927 323043484 /nfs/dbraw/zinc/04/34/84/323043484.db2.gz XYRSIQFMCKTJSX-UHFFFAOYSA-N 0 3 231.748 2.262 10 0 BEAEHN COC[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000569942680 323045368 /nfs/dbraw/zinc/04/53/68/323045368.db2.gz WRWNIMNTIZGVHG-RBSFLKMASA-N 0 3 249.354 2.267 10 0 BEAEHN CCN1CCC[C@H](NCc2ncc(C)s2)C1 ZINC000394739164 323096845 /nfs/dbraw/zinc/09/68/45/323096845.db2.gz WNFFLYZFIAFCFR-NSHDSACASA-N 0 3 239.388 2.025 10 0 BEAEHN C[C@@H]1CC(C)(C)C[C@](N)(c2ncc[nH]2)C1 ZINC000521402112 323201048 /nfs/dbraw/zinc/20/10/48/323201048.db2.gz VLQQUOXDKUDNEY-SKDRFNHKSA-N 0 3 207.321 2.410 10 0 BEAEHN CCCN(CC)c1nc2c(s1)CNCC2 ZINC000536959845 323972689 /nfs/dbraw/zinc/97/26/89/323972689.db2.gz MDKBPJDRXHXFLV-UHFFFAOYSA-N 0 3 225.361 2.025 10 0 BEAEHN OC1CC(CNCc2ccc(Cl)cc2F)C1 ZINC000162968104 324179959 /nfs/dbraw/zinc/17/99/59/324179959.db2.gz OZGRTQZUKQCEDX-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN C[C@@H](NCCc1cscn1)c1cncs1 ZINC000134854164 325379255 /nfs/dbraw/zinc/37/92/55/325379255.db2.gz ILKKQTWGMIMEFG-MRVPVSSYSA-N 0 3 239.369 2.493 10 0 BEAEHN CCc1nnc(CN[C@@H](C)C2CCCC2)n1C ZINC000184646784 487970618 /nfs/dbraw/zinc/97/06/18/487970618.db2.gz VFPDJGHVGYNZFF-JTQLQIEISA-N 0 3 236.363 2.046 10 0 BEAEHN CC[C@@H]1CO[C@H](C)CN1C[C@H]1CCC[C@@H](O)C1 ZINC000310527482 488070097 /nfs/dbraw/zinc/07/00/97/488070097.db2.gz PCOXFJCFORRWMG-XJFOESAGSA-N 0 3 241.375 2.037 10 0 BEAEHN CN[C@H](C)C(=O)Nc1cccc2ccc(C)nc21 ZINC000061875355 487487574 /nfs/dbraw/zinc/48/75/74/487487574.db2.gz VEPIVDDTIMMOCY-SNVBAGLBSA-N 0 3 243.310 2.090 10 0 BEAEHN CCc1ccc(CN[C@H]2CCC[C@H](O)C2)o1 ZINC000051724150 487783920 /nfs/dbraw/zinc/78/39/20/487783920.db2.gz APRVYTLTCHIPMU-QWRGUYRKSA-N 0 3 223.316 2.235 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000308703102 488215477 /nfs/dbraw/zinc/21/54/77/488215477.db2.gz VKOLFCSKUNKSSN-VXGBXAGGSA-N 0 3 238.375 2.153 10 0 BEAEHN C[C@H]1CC[C@H](O)CN1CCOCc1ccccc1 ZINC000399285348 488228500 /nfs/dbraw/zinc/22/85/00/488228500.db2.gz KLASCILOUCUAJM-ZFWWWQNUSA-N 0 3 249.354 2.048 10 0 BEAEHN CN(C)Cc1cccc(NCc2cncnc2)c1 ZINC000054767449 488311316 /nfs/dbraw/zinc/31/13/16/488311316.db2.gz NGPRDRNUQUYTJV-UHFFFAOYSA-N 0 3 242.326 2.150 10 0 BEAEHN c1c2ccccc2[nH]c1CN[C@H]1CCCOC1 ZINC000122243277 490130445 /nfs/dbraw/zinc/13/04/45/490130445.db2.gz DCDMDQXRNMOTBR-LBPRGKRZSA-N 0 3 230.311 2.437 10 0 BEAEHN C[C@@H]1N(C[C@@H]2CCC[C@@H](O)C2)CCOC1(C)C ZINC000660006583 490132167 /nfs/dbraw/zinc/13/21/67/490132167.db2.gz PQHBMTYDKABBBZ-YNEHKIRRSA-N 0 3 241.375 2.037 10 0 BEAEHN Cc1nccnc1[C@@H](C)NCC[C@@H]1CCCO1 ZINC000219094963 490553289 /nfs/dbraw/zinc/55/32/89/490553289.db2.gz JOIHNXMYBVBREQ-PWSUYJOCSA-N 0 3 235.331 2.005 10 0 BEAEHN Cc1nccnc1[C@@H](C)NCC[C@H]1CCCO1 ZINC000219095114 490553532 /nfs/dbraw/zinc/55/35/32/490553532.db2.gz JOIHNXMYBVBREQ-ZYHUDNBSSA-N 0 3 235.331 2.005 10 0 BEAEHN CCC[C@H]1CCCN(Cc2cncnc2)C1 ZINC000131453142 490639216 /nfs/dbraw/zinc/63/92/16/490639216.db2.gz MWPXTTLPVTVBAD-LBPRGKRZSA-N 0 3 219.332 2.489 10 0 BEAEHN CCOc1ccc(CN2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399235972 491123438 /nfs/dbraw/zinc/12/34/38/491123438.db2.gz HIGVQSBEMKZJDC-GXTWGEPZSA-N 0 3 249.354 2.431 10 0 BEAEHN COc1ccc([C@@H](C)NC2CSC2)cc1 ZINC000215966525 491124815 /nfs/dbraw/zinc/12/48/15/491124815.db2.gz LNPSRRDMLPLGNF-SECBINFHSA-N 0 3 223.341 2.461 10 0 BEAEHN NCc1cc(F)c(Cl)c(N)c1Cl ZINC000082640867 491126282 /nfs/dbraw/zinc/12/62/82/491126282.db2.gz HZMXEHWAYMUJDL-UHFFFAOYSA-N 0 3 209.051 2.173 10 0 BEAEHN C[C@H](NCC[C@@H]1CCCO1)c1cncs1 ZINC000132338964 491135270 /nfs/dbraw/zinc/13/52/70/491135270.db2.gz RAEGWEUXRQSAGP-UWVGGRQHSA-N 0 3 226.345 2.363 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@@H](C)c2cscn2)C1 ZINC000309894958 491157943 /nfs/dbraw/zinc/15/79/43/491157943.db2.gz FMUYRRQMOFLWDQ-GARJFASQSA-N 0 3 239.388 2.134 10 0 BEAEHN CCN1C[C@H](N[C@H](C)c2cscn2)[C@@H](C)C1 ZINC000309894954 491157969 /nfs/dbraw/zinc/15/79/69/491157969.db2.gz FMUYRRQMOFLWDQ-AXFHLTTASA-N 0 3 239.388 2.134 10 0 BEAEHN CC(C)[C@@H]1N[C@@]2(CCCOC2)OCC12CCC2 ZINC000757138943 582518735 /nfs/dbraw/zinc/51/87/35/582518735.db2.gz FIENFZIWFBBLBY-JSGCOSHPSA-N 0 3 239.359 2.308 10 0 BEAEHN C1CCC2(CC1)CCO[C@]1(CCCOC1)N2 ZINC000757140295 582520527 /nfs/dbraw/zinc/52/05/27/582520527.db2.gz AYBQRRKJTVONJZ-ZDUSSCGKSA-N 0 3 225.332 2.206 10 0 BEAEHN CCC[C@@H]1CCN[C@@]2(COC(C)(C)C2)O1 ZINC000757153865 582537944 /nfs/dbraw/zinc/53/79/44/582537944.db2.gz YDKKUUNLANPEIC-ZYHUDNBSSA-N 0 3 213.321 2.060 10 0 BEAEHN CC1(C)N[C@@H](Cc2ccccc2)CCO1 ZINC000757153764 582538165 /nfs/dbraw/zinc/53/81/65/582538165.db2.gz XLBODPIUWNAAGN-GFCCVEGCSA-N 0 3 205.301 2.344 10 0 BEAEHN CC[C@@H](C)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182682085 535513676 /nfs/dbraw/zinc/51/36/76/535513676.db2.gz KGMBXMIFARLQQX-GHMZBOCLSA-N 0 3 222.336 2.378 10 0 BEAEHN CC[C@@H](C)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182682085 535513681 /nfs/dbraw/zinc/51/36/81/535513681.db2.gz KGMBXMIFARLQQX-GHMZBOCLSA-N 0 3 222.336 2.378 10 0 BEAEHN CCN1CCC[C@H](NCc2scnc2C)C1 ZINC000084149312 535583068 /nfs/dbraw/zinc/58/30/68/535583068.db2.gz SLNLQXBIGNMYKE-NSHDSACASA-N 0 3 239.388 2.025 10 0 BEAEHN COc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733868 518141810 /nfs/dbraw/zinc/14/18/10/518141810.db2.gz TUYNGVZVMLREPS-UHFFFAOYSA-N 0 3 237.299 2.312 10 0 BEAEHN CN(C)[C@H](CO)c1ccc(Cl)c(F)c1 ZINC000095532643 522090032 /nfs/dbraw/zinc/09/00/32/522090032.db2.gz MYQUDYWMZDVYEL-SNVBAGLBSA-N 0 3 217.671 2.074 10 0 BEAEHN CCc1[nH]c(Nc2ccccc2)nc(=NN)c1C ZINC000057331466 522406850 /nfs/dbraw/zinc/40/68/50/522406850.db2.gz WHIPXZZKCQLHKF-UHFFFAOYSA-N 0 3 243.314 2.377 10 0 BEAEHN CCc1nc(Nc2ccccc2)nc(NN)c1C ZINC000057331466 522406859 /nfs/dbraw/zinc/40/68/59/522406859.db2.gz WHIPXZZKCQLHKF-UHFFFAOYSA-N 0 3 243.314 2.377 10 0 BEAEHN Cc1[nH]c(Nc2ccccc2)nc(=NN)c1C ZINC000057331469 527004458 /nfs/dbraw/zinc/00/44/58/527004458.db2.gz NPGWMNIFSUGBRS-UHFFFAOYSA-N 0 3 229.287 2.123 10 0 BEAEHN Cc1nc(Nc2ccccc2)nc(NN)c1C ZINC000057331469 527004464 /nfs/dbraw/zinc/00/44/64/527004464.db2.gz NPGWMNIFSUGBRS-UHFFFAOYSA-N 0 3 229.287 2.123 10 0 BEAEHN CCCN1CCN(c2ccc([C@H](C)O)cc2)CC1 ZINC000035631435 534933141 /nfs/dbraw/zinc/93/31/41/534933141.db2.gz BZKAYVVJRYIRGU-ZDUSSCGKSA-N 0 3 248.370 2.272 10 0 BEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC000248841473 535534486 /nfs/dbraw/zinc/53/44/86/535534486.db2.gz NUKGDICMWALYSU-CHWSQXEVSA-N 0 3 240.391 2.269 10 0 BEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)C(C)C ZINC000177024288 535588414 /nfs/dbraw/zinc/58/84/14/535588414.db2.gz GKUMBEOFYGOSSD-STQMWFEESA-N 0 3 240.391 2.221 10 0 BEAEHN CCC[C@H](C)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000250345986 535603599 /nfs/dbraw/zinc/60/35/99/535603599.db2.gz YFUVQONUIWLISS-STQMWFEESA-N 0 3 238.375 2.119 10 0 BEAEHN CCSCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227565817 535684268 /nfs/dbraw/zinc/68/42/68/535684268.db2.gz AVRJUHZSLKBSMX-STQMWFEESA-N 0 3 242.432 2.298 10 0 BEAEHN CCc1cccc(N2CCN[C@H](C)C2)c1 ZINC000016944709 535892975 /nfs/dbraw/zinc/89/29/75/535892975.db2.gz DBWKTAJLPVRTQP-LLVKDONJSA-N 0 3 204.317 2.047 10 0 BEAEHN CCn1cccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000234192935 536102018 /nfs/dbraw/zinc/10/20/18/536102018.db2.gz ULMSUKWWODJYGV-KGLIPLIRSA-N 0 3 234.343 2.165 10 0 BEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CCSC ZINC000251827742 536164611 /nfs/dbraw/zinc/16/46/11/536164611.db2.gz PSSMYUISDWGELX-STQMWFEESA-N 0 3 242.432 2.298 10 0 BEAEHN c1cc2c(s1)CCN[C@@H]2[C@H]1CCCOC1 ZINC000397164752 583098468 /nfs/dbraw/zinc/09/84/68/583098468.db2.gz ZKRPAIFBXNTOKX-JOYOIKCWSA-N 0 3 223.341 2.362 10 0 BEAEHN C[C@@H]1C[C@H]1N[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000330268352 582478099 /nfs/dbraw/zinc/47/80/99/582478099.db2.gz RCVJWXRCFCWNFE-JLLWLGSASA-N 0 3 234.347 2.424 10 0 BEAEHN CC[C@H](C)[C@H](O)c1nc(C)c(CNC)s1 ZINC000757132528 582507176 /nfs/dbraw/zinc/50/71/76/582507176.db2.gz TZCCWXWAQQAILO-XVKPBYJWSA-N 0 3 228.361 2.250 10 0 BEAEHN CC(C)[C@@H]1CCC[C@]2(C1)NCC1(COC1)CO2 ZINC000757138570 582518182 /nfs/dbraw/zinc/51/81/82/582518182.db2.gz CJONKLPZFGXVRM-OCCSQVGLSA-N 0 3 239.359 2.165 10 0 BEAEHN C1CCC2(C1)CN[C@]1(CCCSC1)OC2 ZINC000757144681 582525534 /nfs/dbraw/zinc/52/55/34/582525534.db2.gz OZZZSOHQSCQTJF-GFCCVEGCSA-N 0 3 227.373 2.390 10 0 BEAEHN CC1(C)CC2(C1)NCC(C)(C)[C@@]1(CCOC1)O2 ZINC000757147378 582531240 /nfs/dbraw/zinc/53/12/40/582531240.db2.gz SDHVODOLJBHXFO-ZDUSSCGKSA-N 0 3 239.359 2.308 10 0 BEAEHN C[C@@H]1CC(C)(C)O[C@@]2(CCCSC2)N1 ZINC000757153448 582537525 /nfs/dbraw/zinc/53/75/25/582537525.db2.gz VVGWFAVEQMMFSK-MWLCHTKSSA-N 0 3 215.362 2.387 10 0 BEAEHN c1nc2c([nH]1)[C@H]([C@@H]1CC[C@H]3C[C@H]3C1)NCC2 ZINC000700030394 582747810 /nfs/dbraw/zinc/74/78/10/582747810.db2.gz OMRDIUBNCYJYPP-WYFGTUCQSA-N 0 3 217.316 2.033 10 0 BEAEHN c1cc2c(s1)CCN[C@]21CO[C@H](C2CC2)C1 ZINC000701088755 582849274 /nfs/dbraw/zinc/84/92/74/582849274.db2.gz AHPUSAISNBQUBF-WCQYABFASA-N 0 3 235.352 2.288 10 0 BEAEHN C[C@H]1C[C@]2(CCN1C)NCCc1sccc12 ZINC000397268316 583099484 /nfs/dbraw/zinc/09/94/84/583099484.db2.gz CFHKSBXMPGRABL-GWCFXTLKSA-N 0 3 236.384 2.203 10 0 BEAEHN CC(C)(CO)NCc1ccccc1OC(F)F ZINC000020196747 584882627 /nfs/dbraw/zinc/88/26/27/584882627.db2.gz IAVOAWSHPSCUTJ-UHFFFAOYSA-N 0 3 245.269 2.149 10 0 BEAEHN CCOC1CC(N[C@@H](C)c2cncs2)C1 ZINC000219279782 584896379 /nfs/dbraw/zinc/89/63/79/584896379.db2.gz DBYPANBZXVKFPT-IDKOKCKLSA-N 0 3 226.345 2.361 10 0 BEAEHN CC[C@@]1(C)CCO[C@@]2(COC(C)(C)C2)N1 ZINC000757141837 586427931 /nfs/dbraw/zinc/42/79/31/586427931.db2.gz COCVAWOPYMCNID-RYUDHWBXSA-N 0 3 213.321 2.060 10 0 BEAEHN C[C@@H]1CC[C@@H](N)[C@@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183293 586433343 /nfs/dbraw/zinc/43/33/43/586433343.db2.gz NMQANSDCKSXIPH-KBVBSXBZSA-N 0 3 231.311 2.184 10 0 BEAEHN FC(F)(F)COCCCNCc1ccoc1 ZINC000122205132 589565347 /nfs/dbraw/zinc/56/53/47/589565347.db2.gz YAKMNTRYRXZBFS-UHFFFAOYSA-N 0 3 237.221 2.338 10 0 BEAEHN O[C@H](CN[C@@H]1CSc2ccccc21)C1CC1 ZINC000123558127 589752356 /nfs/dbraw/zinc/75/23/56/589752356.db2.gz ZISYMJHAVGVRGG-VXGBXAGGSA-N 0 3 235.352 2.194 10 0 BEAEHN Cc1cc(CNC[C@H](O)C(C)(C)C)c(C)o1 ZINC000127640113 590727616 /nfs/dbraw/zinc/72/76/16/590727616.db2.gz NMKQWNHBTQZSGT-LBPRGKRZSA-N 0 3 225.332 2.393 10 0 BEAEHN CC(C)(C)CN(CCO)Cc1ccoc1 ZINC000128381757 591014229 /nfs/dbraw/zinc/01/42/29/591014229.db2.gz SLONJZAFBBEFCW-UHFFFAOYSA-N 0 3 211.305 2.120 10 0 BEAEHN Cc1ncsc1CCNCc1ccoc1 ZINC000130668791 591496540 /nfs/dbraw/zinc/49/65/40/591496540.db2.gz LNRMBCQOURGILC-UHFFFAOYSA-N 0 3 222.313 2.377 10 0 BEAEHN c1cc(CNC[C@@H]2CSCCS2)co1 ZINC000131153517 591560017 /nfs/dbraw/zinc/56/00/17/591560017.db2.gz JKAAPVGWRVICNX-SNVBAGLBSA-N 0 3 229.370 2.218 10 0 BEAEHN C[C@@H]1OCC[C@H]1NCc1ccc(Cl)cn1 ZINC000132982584 591754518 /nfs/dbraw/zinc/75/45/18/591754518.db2.gz ZNYFBEAZWTUVOT-GZMMTYOYSA-N 0 3 226.707 2.002 10 0 BEAEHN C[C@@H]1OCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000132982948 591754766 /nfs/dbraw/zinc/75/47/66/591754766.db2.gz ZNYFBEAZWTUVOT-KWQFWETISA-N 0 3 226.707 2.002 10 0 BEAEHN c1ccc2c(c1)cncc2CN[C@@H]1CCOC1 ZINC000135784128 592054475 /nfs/dbraw/zinc/05/44/75/592054475.db2.gz KIEOOMUBIKEJKM-CYBMUJFWSA-N 0 3 228.295 2.113 10 0 BEAEHN CC(C)(C)Cc1noc(C2(CN)CCCC2)n1 ZINC000137878291 592223130 /nfs/dbraw/zinc/22/31/30/592223130.db2.gz RCEQTWQEUJXHFX-UHFFFAOYSA-N 0 3 237.347 2.429 10 0 BEAEHN NCc1ccc([C@@H](O)c2cccs2)s1 ZINC000075468606 592312820 /nfs/dbraw/zinc/31/28/20/592312820.db2.gz JMPVNIPMSRUIQG-JTQLQIEISA-N 0 3 225.338 2.350 10 0 BEAEHN NCc1ccc([C@@H](O)c2ccccc2)s1 ZINC000075468527 592312933 /nfs/dbraw/zinc/31/29/33/592312933.db2.gz AZXLOZAAYFBNOG-LBPRGKRZSA-N 0 3 219.309 2.289 10 0 BEAEHN CC(C)(C)CCc1noc([C@@H]2CCCN2)n1 ZINC000300876585 592523884 /nfs/dbraw/zinc/52/38/84/592523884.db2.gz NXEDQABXHPONBJ-VIFPVBQESA-N 0 3 223.320 2.473 10 0 BEAEHN FC1(F)CC[C@H](c2noc([C@@H]3CCCN3)n2)C1 ZINC000302392740 592547821 /nfs/dbraw/zinc/54/78/21/592547821.db2.gz POTMBQVYXRLKIB-YUMQZZPRSA-N 0 3 243.257 2.397 10 0 BEAEHN C[C@@H](O)[C@@H](C)NCc1cc(Cl)ccc1F ZINC000336764587 635284464 /nfs/dbraw/zinc/28/44/64/635284464.db2.gz QGXQKSIZZBTQHN-HTQZYQBOSA-N 0 3 231.698 2.338 10 0 BEAEHN COC1CC(N[C@H](C)c2ccc(F)cn2)C1 ZINC000230673583 635490306 /nfs/dbraw/zinc/49/03/06/635490306.db2.gz WKKKDUMOFNZFGB-MFAVDMRSSA-N 0 3 224.279 2.049 10 0 BEAEHN COC1CC(NCc2cnc(C(C)(C)C)nc2)C1 ZINC000310768278 632982815 /nfs/dbraw/zinc/98/28/15/632982815.db2.gz NKFHUHZDOYQPTN-UHFFFAOYSA-N 0 3 249.358 2.041 10 0 BEAEHN CCc1cccc(F)c1CN[C@H](C)[C@@H](C)O ZINC000336765931 635285501 /nfs/dbraw/zinc/28/55/01/635285501.db2.gz OQAABOZPELNCQY-NXEZZACHSA-N 0 3 225.307 2.247 10 0 BEAEHN CCC[C@@H](N)C(=O)N(CC)c1ccc(C)cc1 ZINC000223548530 635367987 /nfs/dbraw/zinc/36/79/87/635367987.db2.gz DVPKEPDYSLCFSX-CYBMUJFWSA-N 0 3 234.343 2.475 10 0 BEAEHN Cc1ccc(-c2noc([C@@H]3CCCN3)n2)o1 ZINC000083010403 636699784 /nfs/dbraw/zinc/69/97/84/636699784.db2.gz FEASKYLKMJCEPZ-QMMMGPOBSA-N 0 3 219.244 2.063 10 0 BEAEHN c1ncc(CN[C@H]2CCOc3ccccc32)[nH]1 ZINC000054764733 640405921 /nfs/dbraw/zinc/40/59/21/640405921.db2.gz JPLAFDGPCAAUMI-LBPRGKRZSA-N 0 3 229.283 2.023 10 0 BEAEHN c1cc(CNC[C@@H]2COc3ccccc3O2)co1 ZINC000062103353 641020273 /nfs/dbraw/zinc/02/02/73/641020273.db2.gz IWSUJPSATYKYCO-GFCCVEGCSA-N 0 3 245.278 2.209 10 0 BEAEHN c1cc(CNC[C@@H]2Cc3ccccc3O2)co1 ZINC000062103523 641021242 /nfs/dbraw/zinc/02/12/42/641021242.db2.gz PSUCYSUGWCRPBK-ZDUSSCGKSA-N 0 3 229.279 2.373 10 0 BEAEHN Cc1cc(N(C)Cc2ccc(F)cc2)nc(N)n1 ZINC000043532728 641565779 /nfs/dbraw/zinc/56/57/79/641565779.db2.gz YPRFNEKCVWSVPY-UHFFFAOYSA-N 0 3 246.289 2.143 10 0 BEAEHN Cn1cc(-c2csc(C3(N)CCCC3)n2)cn1 ZINC000044495471 641602670 /nfs/dbraw/zinc/60/26/70/641602670.db2.gz SIGYFEXYPFGXRI-UHFFFAOYSA-N 0 3 248.355 2.272 10 0 BEAEHN CCCCOC(=O)CCN1CCS[C@@H](C)C1 ZINC000170901581 642833089 /nfs/dbraw/zinc/83/30/89/642833089.db2.gz XZCXXTBYFCOAAB-NSHDSACASA-N 0 3 245.388 2.157 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[C@H]2CCOC2=O)o1 ZINC000182579161 643031299 /nfs/dbraw/zinc/03/12/99/643031299.db2.gz PGUCFCBOHRUQNW-MNOVXSKESA-N 0 3 237.299 2.192 10 0 BEAEHN CC[C@H](C)C(=O)c1nc(C)c(CNC)s1 ZINC000757122010 643239495 /nfs/dbraw/zinc/23/94/95/643239495.db2.gz DEQCDTQKVRSVAV-ZETCQYMHSA-N 0 3 226.345 2.400 10 0 BEAEHN Cc1ccccc1[C@H](O)CN(C)C[C@@H]1CCCO1 ZINC000044171105 643542494 /nfs/dbraw/zinc/54/24/94/643542494.db2.gz QASIPKFYLXKUBS-DZGCQCFKSA-N 0 3 249.354 2.139 10 0 BEAEHN CO[C@@H]1CCC[C@@H]1NCc1ccccc1F ZINC000049948756 643564054 /nfs/dbraw/zinc/56/40/54/643564054.db2.gz WKHBOKZVTYQEMC-QWHCGFSZSA-N 0 3 223.291 2.483 10 0 BEAEHN CNCc1sc(C(=O)C(C)(C)F)nc1C ZINC000757123158 644863780 /nfs/dbraw/zinc/86/37/80/644863780.db2.gz ILHZDHDIQIPLHU-UHFFFAOYSA-N 0 3 230.308 2.102 10 0 BEAEHN C[C@H]1CN(c2ccncc2CO)CC[C@@H]1C ZINC000132073698 711954745 /nfs/dbraw/zinc/95/47/45/711954745.db2.gz YYFLYPKAHCNZBR-QWRGUYRKSA-N 0 3 220.316 2.056 10 0 BEAEHN CCCCC[C@H](C)NC(=O)[C@@H](N)CCC ZINC000036873379 712506389 /nfs/dbraw/zinc/50/63/89/712506389.db2.gz CTTXLIRDCFOXEJ-QWRGUYRKSA-N 0 3 214.353 2.199 10 0 BEAEHN CC[C@@H](N[C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876953 712538622 /nfs/dbraw/zinc/53/86/22/712538622.db2.gz JBWUSDJZVOKVRG-GXSJLCMTSA-N 0 3 222.336 2.044 10 0 BEAEHN Cn1cnnc1CN[C@@H]1CCCCCC1(C)C ZINC000719288016 712803602 /nfs/dbraw/zinc/80/36/02/712803602.db2.gz PMQQPDVPHCLSDN-LLVKDONJSA-N 0 3 236.363 2.264 10 0 BEAEHN Cc1cnc(CNC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000724095124 711560491 /nfs/dbraw/zinc/56/04/91/711560491.db2.gz HGFCQITXMVXZLE-CYBMUJFWSA-N 0 3 236.359 2.195 10 0 BEAEHN CC[C@H]([NH2+][C@H](C)c1nnc(C)[n-]1)[C@@H]1C[C@H]1C ZINC000321925882 712080661 /nfs/dbraw/zinc/08/06/61/712080661.db2.gz RTYYAHKQUHHGRL-OYBPUVFXSA-N 0 3 222.336 2.198 10 0 BEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000709122928 712209418 /nfs/dbraw/zinc/20/94/18/712209418.db2.gz DZJPFLGDXBXKHP-NMKXLXIOSA-N 0 3 238.375 2.199 10 0 BEAEHN CC[C@H](N[C@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876955 712538469 /nfs/dbraw/zinc/53/84/69/712538469.db2.gz JBWUSDJZVOKVRG-KOLCDFICSA-N 0 3 222.336 2.044 10 0 BEAEHN CC[C@H](CN[C@H](C)c1cn(C)nn1)CC(F)F ZINC000720522809 712848817 /nfs/dbraw/zinc/84/88/17/712848817.db2.gz GPFGGWGYHOQCMJ-BDAKNGLRSA-N 0 3 246.305 2.147 10 0 BEAEHN CC(C)C[C@H](C)CN[C@@H](C)c1cn(C)nn1 ZINC000720584377 712854586 /nfs/dbraw/zinc/85/45/86/712854586.db2.gz RAWIRTGUIMJDDC-QWRGUYRKSA-N 0 3 224.352 2.148 10 0 BEAEHN C[C@H](N[C@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592199 712855806 /nfs/dbraw/zinc/85/58/06/712855806.db2.gz UMVXUZVWBGQXNS-JQWIXIFHSA-N 0 3 234.347 2.189 10 0 BEAEHN C[C@@H](N[C@@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592205 712856006 /nfs/dbraw/zinc/85/60/06/712856006.db2.gz UMVXUZVWBGQXNS-ZYHUDNBSSA-N 0 3 234.347 2.189 10 0 BEAEHN CC[C@H](C)N[C@@H](CO)c1cc(F)ccc1F ZINC000038116693 1171023009 /nfs/dbraw/zinc/02/30/09/1171023009.db2.gz CUZPHJYPSGWKHC-UFBFGSQYSA-N 0 3 229.270 2.386 10 0 BEAEHN C[C@@H](N)c1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956704 538902843 /nfs/dbraw/zinc/90/28/43/538902843.db2.gz ZNLHUVJSQXQUDJ-SCSAIBSYSA-N 0 3 240.521 2.323 10 0 BEAEHN Cc1cncc([C@@H](C)N[C@@H]2CCO[C@@H]2C)c1 ZINC000378684132 346807535 /nfs/dbraw/zinc/80/75/35/346807535.db2.gz AAIZHZBCYSWJTG-NQBHXWOUSA-N 0 3 220.316 2.218 10 0 BEAEHN CN1CCOC[C@H](c2nccc3ccccc32)C1 ZINC000616595159 398142311 /nfs/dbraw/zinc/14/23/11/398142311.db2.gz RGRDUXPKABYTSG-CYBMUJFWSA-N 0 3 242.322 2.280 10 0 BEAEHN Cc1cc(CNCc2cccnc2)c(C)n1C ZINC000052789730 178027240 /nfs/dbraw/zinc/02/72/40/178027240.db2.gz HKPAJOHOQJTSJK-UHFFFAOYSA-N 0 3 229.327 2.327 10 0 BEAEHN CCCN(CC(C)C)C(=O)[C@H](N)[C@@H](C)CC ZINC000390630359 398178000 /nfs/dbraw/zinc/17/80/00/398178000.db2.gz IMPYYGJNJNNLEI-NWDGAFQWSA-N 0 3 228.380 2.254 10 0 BEAEHN Cc1cc(Cl)cn2cc([C@H](C)N)nc12 ZINC000076793170 178070698 /nfs/dbraw/zinc/07/06/98/178070698.db2.gz BKEZQOVHYSSDDA-ZETCQYMHSA-N 0 3 209.680 2.316 10 0 BEAEHN Cc1cc(N(C)C)ccc1N[C@@H]1CCN(C)C1 ZINC000061985059 178095512 /nfs/dbraw/zinc/09/55/12/178095512.db2.gz XYVMZEUJMLIHIM-GFCCVEGCSA-N 0 3 233.359 2.177 10 0 BEAEHN Cc1cc(N(C)C2CCN(C)CC2)ccc1N ZINC000035082276 178097619 /nfs/dbraw/zinc/09/76/19/178097619.db2.gz HYRQLNBJZSXMEU-UHFFFAOYSA-N 0 3 233.359 2.108 10 0 BEAEHN CN1CCC[C@H]1CNC(C)(C)c1nccs1 ZINC000386247081 398201003 /nfs/dbraw/zinc/20/10/03/398201003.db2.gz QKQQNUBMVRHBLD-JTQLQIEISA-N 0 3 239.388 2.062 10 0 BEAEHN CC1(C)CCO[C@@](C)(C(F)(F)F)CN1 ZINC000306465040 398201587 /nfs/dbraw/zinc/20/15/87/398201587.db2.gz JPTWIPZKDYNQCN-MRVPVSSYSA-N 0 3 211.227 2.096 10 0 BEAEHN F[C@@H](c1ccsn1)[C@H]1CCCCN1 ZINC000306605461 398221607 /nfs/dbraw/zinc/22/16/07/398221607.db2.gz PVGGNFIWQSXEKD-VXNVDRBHSA-N 0 3 200.282 2.296 10 0 BEAEHN Cc1cc(N[C@@H](CC(C)C)CN(C)C)ncn1 ZINC000049558089 178180784 /nfs/dbraw/zinc/18/07/84/178180784.db2.gz BUSSFNKICQRATO-LBPRGKRZSA-N 0 3 236.363 2.173 10 0 BEAEHN Cc1cc(SCCN2CCCCC2)ncn1 ZINC000032535368 178217950 /nfs/dbraw/zinc/21/79/50/178217950.db2.gz NAPOANHZFZUFMK-UHFFFAOYSA-N 0 3 237.372 2.363 10 0 BEAEHN Cc1cc(S[C@H](CN)c2ccco2)n(C)n1 ZINC000052309531 178219592 /nfs/dbraw/zinc/21/95/92/178219592.db2.gz GUVAOQNAXYMWEJ-SNVBAGLBSA-N 0 3 237.328 2.114 10 0 BEAEHN Cc1cc([C@@H](CO)NC(C)C)c(C)s1 ZINC000049688042 178236059 /nfs/dbraw/zinc/23/60/59/178236059.db2.gz XZQCCSGXXIJBOJ-LLVKDONJSA-N 0 3 213.346 2.396 10 0 BEAEHN Cc1cc([C@@H](N)[C@H]2CCCCO2)c(C)o1 ZINC000050963130 178237699 /nfs/dbraw/zinc/23/76/99/178237699.db2.gz DCHSYWPCUSJMDY-VXGBXAGGSA-N 0 3 209.289 2.465 10 0 BEAEHN Cc1cc([C@H](N)[C@@H]2CCCCO2)c(C)o1 ZINC000050963125 178263055 /nfs/dbraw/zinc/26/30/55/178263055.db2.gz DCHSYWPCUSJMDY-RYUDHWBXSA-N 0 3 209.289 2.465 10 0 BEAEHN CCC(CC)CNCc1ccnc(C)n1 ZINC000037997787 168362096 /nfs/dbraw/zinc/36/20/96/168362096.db2.gz JVPLQZYIVKTKON-UHFFFAOYSA-N 0 3 207.321 2.311 10 0 BEAEHN Cc1cc2c(cc1C)[C@H](N[C@@H](C)CO)CCCO2 ZINC000127581702 178286997 /nfs/dbraw/zinc/28/69/97/178286997.db2.gz JDYQZNSXFZTJAT-GXTWGEPZSA-N 0 3 249.354 2.488 10 0 BEAEHN CCC(CC)N(C)CC(=O)Nc1ccccc1N ZINC000036788480 168367565 /nfs/dbraw/zinc/36/75/65/168367565.db2.gz RGHUHXUTUONAMR-UHFFFAOYSA-N 0 3 249.358 2.328 10 0 BEAEHN CCC(CC)N(C)c1nc2ccccn2c1CN ZINC000036789446 168369278 /nfs/dbraw/zinc/36/92/78/168369278.db2.gz XHBIWGRGNMAFPW-UHFFFAOYSA-N 0 3 246.358 2.418 10 0 BEAEHN CN(Cc1ccco1)C[C@H]1CCC[C@H](O)C1 ZINC000381653111 398268612 /nfs/dbraw/zinc/26/86/12/398268612.db2.gz SFCBXZMEKRXBPC-RYUDHWBXSA-N 0 3 223.316 2.263 10 0 BEAEHN O=C(CCCN1CCC(O)CC1)c1ccccc1 ZINC000001693005 342709457 /nfs/dbraw/zinc/70/94/57/342709457.db2.gz IUFSJZOWNJNCTF-UHFFFAOYSA-N 0 3 247.338 2.106 10 0 BEAEHN Cc1cc2c(c(Br)c1)OC[C@@H]2N ZINC000035653840 342754083 /nfs/dbraw/zinc/75/40/83/342754083.db2.gz RDKIDNXSTFYSBI-QMMMGPOBSA-N 0 3 228.089 2.150 10 0 BEAEHN CCOc1cccc(-c2cc(N)nc(N)c2)c1 ZINC000145233641 342760630 /nfs/dbraw/zinc/76/06/30/342760630.db2.gz FLOMZYWXADFGPO-UHFFFAOYSA-N 0 3 229.283 2.312 10 0 BEAEHN O=C1c2ccccc2CC[C@]12CCCCN2 ZINC000146578345 342770070 /nfs/dbraw/zinc/77/00/70/342770070.db2.gz MTJXFDCEGJPPAE-CQSZACIVSA-N 0 3 215.296 2.328 10 0 BEAEHN C[C@H]1OCC[C@H]1c1ccc2c(c1)CNC2 ZINC000147808415 342780930 /nfs/dbraw/zinc/78/09/30/342780930.db2.gz BQCBSDHTCZGICW-NOZJJQNGSA-N 0 3 203.285 2.182 10 0 BEAEHN COC(C)(C)C[C@@H](C)NCc1cc(C)no1 ZINC000044985967 538990551 /nfs/dbraw/zinc/99/05/51/538990551.db2.gz HSKRTNIJXQVTEK-SNVBAGLBSA-N 0 3 226.320 2.276 10 0 BEAEHN CCN1C[C@@H](C)[C@H](Nc2ccc(Cl)cn2)C1 ZINC000381466793 539001319 /nfs/dbraw/zinc/00/13/19/539001319.db2.gz MTOCUOPYIYLJQA-MWLCHTKSSA-N 0 3 239.750 2.487 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@@H](C)c2cncs2)C1 ZINC000381542368 539003812 /nfs/dbraw/zinc/00/38/12/539003812.db2.gz IOINEUWCAHTRMP-GARJFASQSA-N 0 3 239.388 2.134 10 0 BEAEHN CCN1C[C@H](C)[C@H](N[C@@H](C)c2ccco2)C1 ZINC000381739415 539006550 /nfs/dbraw/zinc/00/65/50/539006550.db2.gz ORCCGOZKFQTYCP-SDDRHHMPSA-N 0 3 222.332 2.270 10 0 BEAEHN COCc1ccc(CNCC[C@@H]2CCCO2)o1 ZINC000382460554 539009384 /nfs/dbraw/zinc/00/93/84/539009384.db2.gz DRTWRLSVIHAVQR-NSHDSACASA-N 0 3 239.315 2.085 10 0 BEAEHN C[C@@H]1C[C@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000192547754 538995707 /nfs/dbraw/zinc/99/57/07/538995707.db2.gz CSBNUAKHAAXIRB-PSASIEDQSA-N 0 3 248.351 2.098 10 0 BEAEHN CC[C@H](N)c1nc([C@@H]2CCOC2)cs1 ZINC000164974029 342861351 /nfs/dbraw/zinc/86/13/51/342861351.db2.gz GTKVQKUERPQVHH-SFYZADRCSA-N 0 3 212.318 2.057 10 0 BEAEHN CC[C@@H](N)c1nc([C@H]2CCOC2)cs1 ZINC000164974353 342861379 /nfs/dbraw/zinc/86/13/79/342861379.db2.gz GTKVQKUERPQVHH-JGVFFNPUSA-N 0 3 212.318 2.057 10 0 BEAEHN CN(C[C@@H]1CCN(C)C1)c1nc(Cl)cs1 ZINC000165187475 342880647 /nfs/dbraw/zinc/88/06/47/342880647.db2.gz JUHQCCXCFQWWMO-MRVPVSSYSA-N 0 3 245.779 2.184 10 0 BEAEHN NCc1cc(Br)ccc1NC1CC1 ZINC000165225901 342886577 /nfs/dbraw/zinc/88/65/77/342886577.db2.gz GSXLLZSCFMFQKO-UHFFFAOYSA-N 0 3 241.132 2.482 10 0 BEAEHN CC[C@](C)(N)c1nc(C)ncc1Br ZINC000306162353 398322574 /nfs/dbraw/zinc/32/25/74/398322574.db2.gz MZKUPEWCVXRALZ-VIFPVBQESA-N 0 3 244.136 2.131 10 0 BEAEHN COC(CN[C@@H](C)c1cccs1)OC ZINC000037473023 342933495 /nfs/dbraw/zinc/93/34/95/342933495.db2.gz VBIHGHMQJWPLGE-QMMMGPOBSA-N 0 3 215.318 2.018 10 0 BEAEHN CCOC(=O)C=C1CCN(C(C)(C)C)CC1 ZINC000116923296 342939455 /nfs/dbraw/zinc/93/94/55/342939455.db2.gz FICGUZPWKIBGNB-UHFFFAOYSA-N 0 3 225.332 2.370 10 0 BEAEHN Cc1cc(C2CCCCC2)c(CN)c(=O)[nH]1 ZINC000116872520 342938585 /nfs/dbraw/zinc/93/85/85/342938585.db2.gz PBGAZQLIFHVHCX-UHFFFAOYSA-N 0 3 220.316 2.190 10 0 BEAEHN COC(=O)C[C@@H](N)c1ccc2ccccc2c1 ZINC000020577590 342991713 /nfs/dbraw/zinc/99/17/13/342991713.db2.gz JFWNNOBLJXSMPG-CYBMUJFWSA-N 0 3 229.279 2.403 10 0 BEAEHN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)NC1CC1 ZINC000042205084 342995595 /nfs/dbraw/zinc/99/55/95/342995595.db2.gz NVFDGSNBFSLHNN-NWDGAFQWSA-N 0 3 246.354 2.313 10 0 BEAEHN Cc1cc(-c2cnc(CN)c(C)c2)ccn1 ZINC000117503014 343001511 /nfs/dbraw/zinc/00/15/11/343001511.db2.gz JYTLEEFDSQITLR-UHFFFAOYSA-N 0 3 213.284 2.219 10 0 BEAEHN Clc1ccccc1CNCCc1c[nH]cn1 ZINC000045946316 343013330 /nfs/dbraw/zinc/01/33/30/343013330.db2.gz TVPMQQPJNUPHOM-UHFFFAOYSA-N 0 3 235.718 2.395 10 0 BEAEHN CO[C@@H](CN)c1cc(Br)cs1 ZINC000043288269 343035971 /nfs/dbraw/zinc/03/59/71/343035971.db2.gz VTNVBCFSOPIOFR-LURJTMIESA-N 0 3 236.134 2.157 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc(Cl)cc1 ZINC000071531933 362006111 /nfs/dbraw/zinc/00/61/11/362006111.db2.gz FZVXVQLEWBXOGI-GFCCVEGCSA-N 0 3 224.735 2.306 10 0 BEAEHN Cc1ccsc1[C@H](N)c1cccnc1 ZINC000042728849 362020750 /nfs/dbraw/zinc/02/07/50/362020750.db2.gz DKTXEEGHWZVVOV-SNVBAGLBSA-N 0 3 204.298 2.500 10 0 BEAEHN CC1(C)CN(C[C@H]2CCCCCC2=O)C1 ZINC000306669491 362032132 /nfs/dbraw/zinc/03/21/32/362032132.db2.gz LDGJCKXRYCVIQQ-LLVKDONJSA-N 0 3 209.333 2.478 10 0 BEAEHN COc1ccc(C(C)C)cc1[C@@H](N)CCO ZINC000071525220 362007805 /nfs/dbraw/zinc/00/78/05/362007805.db2.gz DUFGLNUXQJIGPG-LBPRGKRZSA-N 0 3 223.316 2.201 10 0 BEAEHN NCc1ccc(C(F)(F)F)nc1OC1CCC1 ZINC000094334501 343156138 /nfs/dbraw/zinc/15/61/38/343156138.db2.gz UKUANXKGGFKHDH-UHFFFAOYSA-N 0 3 246.232 2.490 10 0 BEAEHN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C ZINC000122726257 343160847 /nfs/dbraw/zinc/16/08/47/343160847.db2.gz IMOARHWZDJPBHX-YPMHNXCESA-N 0 3 248.370 2.107 10 0 BEAEHN C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(C)(C)C ZINC000122725841 343160919 /nfs/dbraw/zinc/16/09/19/343160919.db2.gz IMOARHWZDJPBHX-DGCLKSJQSA-N 0 3 248.370 2.107 10 0 BEAEHN CC(C)n1ccc(CNC2CCSCC2)n1 ZINC000125264261 343173154 /nfs/dbraw/zinc/17/31/54/343173154.db2.gz QPWJGZJSHQRUPW-UHFFFAOYSA-N 0 3 239.388 2.449 10 0 BEAEHN O[C@@]12CCCC[C@H]1CN(C/C=C/Cl)CC2 ZINC000088023419 136283786 /nfs/dbraw/zinc/28/37/86/136283786.db2.gz YFFFRCZWKOHWOI-AKCLXAHESA-N 0 3 229.751 2.366 10 0 BEAEHN CC(C)[C@H](N)c1cc(Br)ccn1 ZINC000238169420 343251361 /nfs/dbraw/zinc/25/13/61/343251361.db2.gz ZSDJKZPFHQXXHV-VIFPVBQESA-N 0 3 229.121 2.500 10 0 BEAEHN N[C@H]1CCOc2c(Br)cc(F)cc21 ZINC000036928686 343328065 /nfs/dbraw/zinc/32/80/65/343328065.db2.gz NJWYNRUZEDPIDT-QMMMGPOBSA-N 0 3 246.079 2.371 10 0 BEAEHN Cn1ccnc1CNCCCc1ccccc1 ZINC000035776083 343304573 /nfs/dbraw/zinc/30/45/73/343304573.db2.gz KMVHYXQUFZNEHM-UHFFFAOYSA-N 0 3 229.327 2.143 10 0 BEAEHN CC1(C)CN(C2CCC2)C[C@@]2(CCCOC2)O1 ZINC000335738181 136351150 /nfs/dbraw/zinc/35/11/50/136351150.db2.gz KTNAYENNJCISGU-CQSZACIVSA-N 0 3 239.359 2.199 10 0 BEAEHN Cc1nccc(CNCCc2ccsc2)n1 ZINC000054790841 136372960 /nfs/dbraw/zinc/37/29/60/136372960.db2.gz KTERKVRRPIFDLD-UHFFFAOYSA-N 0 3 233.340 2.179 10 0 BEAEHN CCNCc1cnc(-c2ccccc2OC)nc1 ZINC000054855617 136373052 /nfs/dbraw/zinc/37/30/52/136373052.db2.gz VYXNZXYLFXMLSZ-UHFFFAOYSA-N 0 3 243.310 2.262 10 0 BEAEHN CCOC(=O)[C@@H](C)CN(C)Cc1ccccc1 ZINC000043615098 343467709 /nfs/dbraw/zinc/46/77/09/343467709.db2.gz WXUFFHBLYVJDHQ-LBPRGKRZSA-N 0 3 235.327 2.318 10 0 BEAEHN CCCn1nc(CNCC)c(-c2ccccc2)n1 ZINC000045944933 343536228 /nfs/dbraw/zinc/53/62/28/343536228.db2.gz BZYOFCBTCFUFMT-UHFFFAOYSA-N 0 3 244.342 2.465 10 0 BEAEHN C[C@@]1([C@@H]2CCCO2)NCCc2ccsc21 ZINC000712512439 537787559 /nfs/dbraw/zinc/78/75/59/537787559.db2.gz KKZAWNUUKFWGOY-JQWIXIFHSA-N 0 3 223.341 2.288 10 0 BEAEHN c1cc2c(s1)[C@@H]([C@H]1CCCO1)NCC2 ZINC000712526224 537788871 /nfs/dbraw/zinc/78/88/71/537788871.db2.gz HQVQQLYPGMZOFA-NXEZZACHSA-N 0 3 209.314 2.114 10 0 BEAEHN C[C@@H](NC(=O)[C@H](C)N1CCCC1)c1ccccc1 ZINC000048419033 343581360 /nfs/dbraw/zinc/58/13/60/343581360.db2.gz NSYHBMRVQMRYRE-OLZOCXBDSA-N 0 3 246.354 2.348 10 0 BEAEHN CC(C)N1CC[C@@]2(C1)NCCc1ccsc12 ZINC000712536751 537790645 /nfs/dbraw/zinc/79/06/45/537790645.db2.gz LYXPKQYXYIYKQJ-ZDUSSCGKSA-N 0 3 236.384 2.203 10 0 BEAEHN c1cc2c(s1)[C@@]1(CCSC1)NCC2 ZINC000712574557 537790738 /nfs/dbraw/zinc/79/07/38/537790738.db2.gz WZHNANGENILLGN-JTQLQIEISA-N 0 3 211.355 2.226 10 0 BEAEHN CO[C@H](C)[C@@]1(C)NCCc2ccsc21 ZINC000712553346 537793030 /nfs/dbraw/zinc/79/30/30/537793030.db2.gz QNGKNLHYZHEMHY-LDYMZIIASA-N 0 3 211.330 2.144 10 0 BEAEHN c1cc2c(s1)[C@H]([C@@H]1CCCO1)NCC2 ZINC000712526228 537790398 /nfs/dbraw/zinc/79/03/98/537790398.db2.gz HQVQQLYPGMZOFA-UWVGGRQHSA-N 0 3 209.314 2.114 10 0 BEAEHN FC1(F)CC[C@H]([C@H]2NCCc3nc[nH]c32)C1 ZINC000712970867 537796598 /nfs/dbraw/zinc/79/65/98/537796598.db2.gz MGIJDAIWYZWYQU-IONNQARKSA-N 0 3 227.258 2.032 10 0 BEAEHN CN[C@H](C)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000379988848 365786517 /nfs/dbraw/zinc/78/65/17/365786517.db2.gz SBXCCSHUERBFEU-WDEREUQCSA-N 0 3 232.327 2.135 10 0 BEAEHN CCc1ccc(-c2cc(CN)nc(C)n2)cc1 ZINC000020384033 343774805 /nfs/dbraw/zinc/77/48/05/343774805.db2.gz RKTICSGXOHBEAJ-UHFFFAOYSA-N 0 3 227.311 2.473 10 0 BEAEHN NC[C@@H](F)Cc1cccc(Br)c1 ZINC000156356941 343791426 /nfs/dbraw/zinc/79/14/26/343791426.db2.gz BGZSRTRBAKXXOU-VIFPVBQESA-N 0 3 232.096 2.288 10 0 BEAEHN CN1C[C@@H](CO)C[C@H]1c1ccc(Cl)cc1 ZINC000409437628 343842959 /nfs/dbraw/zinc/84/29/59/343842959.db2.gz AKWHEZZITCJFAD-CABZTGNLSA-N 0 3 225.719 2.325 10 0 BEAEHN CN1C[C@@H](CO)C[C@H]1c1cccc(Cl)c1 ZINC000409442297 343857923 /nfs/dbraw/zinc/85/79/23/343857923.db2.gz UPUMMBCBMAMHRE-CABZTGNLSA-N 0 3 225.719 2.325 10 0 BEAEHN NCc1cc(-c2cccs2)nn1C(F)F ZINC000409442843 343864410 /nfs/dbraw/zinc/86/44/10/343864410.db2.gz BWSYWRAGWNPYDN-UHFFFAOYSA-N 0 3 229.255 2.465 10 0 BEAEHN CNCc1cc(-c2ccccn2)nn1C(C)C ZINC000409443147 343866103 /nfs/dbraw/zinc/86/61/03/343866103.db2.gz HSVPIBVHSALKJF-UHFFFAOYSA-N 0 3 230.315 2.245 10 0 BEAEHN CN[C@@]1(c2nc(C)cs2)CCS[C@@H]1C ZINC000234443216 343966564 /nfs/dbraw/zinc/96/65/64/343966564.db2.gz BMVJYLWVLAQLJF-SCZZXKLOSA-N 0 3 228.386 2.392 10 0 BEAEHN O[C@H]1CCCC[C@@H]1N1CC=C(C(F)(F)F)CC1 ZINC000335919689 344086627 /nfs/dbraw/zinc/08/66/27/344086627.db2.gz UEVSTUYBTLCFNQ-QWRGUYRKSA-N 0 3 249.276 2.484 10 0 BEAEHN C/C=C\C(=O)N1CCCc2c(CN)cccc21 ZINC000616569639 344171124 /nfs/dbraw/zinc/17/11/24/344171124.db2.gz BQNZLUCKXFBNLS-DJWKRKHSSA-N 0 3 230.311 2.001 10 0 BEAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1nccn1C ZINC000132292839 344297624 /nfs/dbraw/zinc/29/76/24/344297624.db2.gz OPRGMZKLLJWBID-HBNTYKKESA-N 0 3 207.321 2.259 10 0 BEAEHN CCCCCC[C@@H]([C@@H](C)O)n1cnc(CN)c1 ZINC000028217862 344353093 /nfs/dbraw/zinc/35/30/93/344353093.db2.gz YSOLMNPLEMKSDU-YPMHNXCESA-N 0 3 239.363 2.234 10 0 BEAEHN NC[C@@H](F)[C@@H]1CCOC2(CCCC2)C1 ZINC000158071009 344394550 /nfs/dbraw/zinc/39/45/50/344394550.db2.gz DCIYNAVMZCJZSA-NXEZZACHSA-N 0 3 201.285 2.023 10 0 BEAEHN NC[C@@H](F)[C@H]1CCOC2(CCCC2)C1 ZINC000158071170 344394655 /nfs/dbraw/zinc/39/46/55/344394655.db2.gz DCIYNAVMZCJZSA-VHSXEESVSA-N 0 3 201.285 2.023 10 0 BEAEHN COc1ccc(OC(F)(F)F)c(CN)c1 ZINC000238384425 344442286 /nfs/dbraw/zinc/44/22/86/344442286.db2.gz PAXOGQBGXGNLDT-UHFFFAOYSA-N 0 3 221.178 2.053 10 0 BEAEHN CCN1CCC[C@@H](Nc2cncc(Cl)n2)C1 ZINC000043538090 344526816 /nfs/dbraw/zinc/52/68/16/344526816.db2.gz BHKVPOZDNMJQDZ-SECBINFHSA-N 0 3 240.738 2.026 10 0 BEAEHN N[C@@H](CCO)c1ccc(C(F)(F)F)c(F)c1 ZINC000044233316 344536330 /nfs/dbraw/zinc/53/63/30/344536330.db2.gz IYNLFXHJQWYZOH-VIFPVBQESA-N 0 3 237.196 2.227 10 0 BEAEHN N[C@H](CCO)c1ccc(C(F)(F)F)cc1F ZINC000044233030 344536579 /nfs/dbraw/zinc/53/65/79/344536579.db2.gz NLNYAEPREUTQSF-SECBINFHSA-N 0 3 237.196 2.227 10 0 BEAEHN C[C@](F)(CN)[C@@H]1CCOC2(CCC2)C1 ZINC000158252653 344574982 /nfs/dbraw/zinc/57/49/82/344574982.db2.gz MNSSQPJTIIOEJO-ZJUUUORDSA-N 0 3 201.285 2.023 10 0 BEAEHN CC[C@@](F)(CN)c1cc(F)cc(F)c1 ZINC000158325382 344597317 /nfs/dbraw/zinc/59/73/17/344597317.db2.gz GZTDFCGDTSHWAJ-SNVBAGLBSA-N 0 3 203.207 2.498 10 0 BEAEHN OCCN1CCCC[C@H]1c1cccc(F)c1 ZINC000224191363 344658133 /nfs/dbraw/zinc/65/81/33/344658133.db2.gz OKDHAVBYMIFSCA-ZDUSSCGKSA-N 0 3 223.291 2.345 10 0 BEAEHN Cn1ccnc1NCCc1cccs1 ZINC000050605723 344719855 /nfs/dbraw/zinc/71/98/55/344719855.db2.gz LFESRWIBNSRQQH-UHFFFAOYSA-N 0 3 207.302 2.136 10 0 BEAEHN C[C@@H]1CCCC[C@H]1[C@H]1NCCc2nc[nH]c21 ZINC000400378081 537855475 /nfs/dbraw/zinc/85/54/75/537855475.db2.gz DLCVRMBCDXDIPS-CKYFFXLPSA-N 0 3 219.332 2.423 10 0 BEAEHN c1nc2c([nH]1)C1(CCCCCCC1)NCC2 ZINC000400411096 537856443 /nfs/dbraw/zinc/85/64/43/537856443.db2.gz WJRAIKHDZBHKPY-UHFFFAOYSA-N 0 3 219.332 2.495 10 0 BEAEHN CC1(C)CCC[C@]2(C1)NCCc1nc[nH]c12 ZINC000400455504 537857207 /nfs/dbraw/zinc/85/72/07/537857207.db2.gz QFYMUAIOWPHBAJ-CYBMUJFWSA-N 0 3 219.332 2.351 10 0 BEAEHN Clc1cccc(Cl)c1COC1CNC1 ZINC000062809866 347082173 /nfs/dbraw/zinc/08/21/73/347082173.db2.gz AGHAGBPQPKVOOL-UHFFFAOYSA-N 0 3 232.110 2.482 10 0 BEAEHN C[C@H]1SCC[C@@]12NC[C@@H](C)CS2 ZINC000235364204 344894671 /nfs/dbraw/zinc/89/46/71/344894671.db2.gz FSLFRPLVDASOLK-HLTSFMKQSA-N 0 3 203.376 2.181 10 0 BEAEHN C[C@@H]1CCN[C@H]([C@@H]2CCSC2)S1 ZINC000224675826 344966103 /nfs/dbraw/zinc/96/61/03/344966103.db2.gz IJJBETIOWBEQEH-HLTSFMKQSA-N 0 3 203.376 2.181 10 0 BEAEHN Fc1cc(Br)c2c(c1)CNCC2 ZINC000224551834 344944762 /nfs/dbraw/zinc/94/47/62/344944762.db2.gz LBIUHKQWHNECMJ-UHFFFAOYSA-N 0 3 230.080 2.234 10 0 BEAEHN COc1ccc2ccccc2c1[C@H](N)CCO ZINC000044232330 344988548 /nfs/dbraw/zinc/98/85/48/344988548.db2.gz VKBFAOOZWPSWPT-GFCCVEGCSA-N 0 3 231.295 2.231 10 0 BEAEHN N[C@@H](CCO)c1cc(F)cc(C(F)(F)F)c1 ZINC000044233045 344988595 /nfs/dbraw/zinc/98/85/95/344988595.db2.gz QVVMRNSPQCHMDO-VIFPVBQESA-N 0 3 237.196 2.227 10 0 BEAEHN N[C@@H](CCO)c1c(F)ccc(Cl)c1F ZINC000044233442 344989146 /nfs/dbraw/zinc/98/91/46/344989146.db2.gz RELYCYOALAIZJR-ZETCQYMHSA-N 0 3 221.634 2.000 10 0 BEAEHN FC1(F)Oc2cccc([C@H]3CCN3)c2O1 ZINC000044257961 344997010 /nfs/dbraw/zinc/99/70/10/344997010.db2.gz IJMBNYPHMRKFTA-SSDOTTSWSA-N 0 3 213.183 2.043 10 0 BEAEHN COc1cc([C@@H](N)CF)cc(Cl)c1O ZINC000238417182 345045788 /nfs/dbraw/zinc/04/57/88/345045788.db2.gz ITJRVYVIALYEMG-ZETCQYMHSA-N 0 3 219.643 2.024 10 0 BEAEHN COc1cc([C@H](N)CF)ccc1Cl ZINC000238424853 345046300 /nfs/dbraw/zinc/04/63/00/345046300.db2.gz HKFYZFAFOGPHCS-MRVPVSSYSA-N 0 3 203.644 2.318 10 0 BEAEHN CCC[C@H](C(=O)N1CCC2(CCC2)C1)N(C)C ZINC000154242151 345022363 /nfs/dbraw/zinc/02/23/63/345022363.db2.gz NHBCWKWHAVLLJN-GFCCVEGCSA-N 0 3 238.375 2.119 10 0 BEAEHN Cc1ccc([C@H](N)Cn2cccn2)c(C)c1 ZINC000011849771 345032924 /nfs/dbraw/zinc/03/29/24/345032924.db2.gz CBPONZMMUWPMFV-CYBMUJFWSA-N 0 3 215.300 2.200 10 0 BEAEHN NC1(c2ccc3sccc3c2)COC1 ZINC000238591224 345088372 /nfs/dbraw/zinc/08/83/72/345088372.db2.gz ZILDQXLATJUNSC-UHFFFAOYSA-N 0 3 205.282 2.086 10 0 BEAEHN NCc1cc(Cl)cnc1OC(F)(F)F ZINC000238656816 345102845 /nfs/dbraw/zinc/10/28/45/345102845.db2.gz OMHMZVBFNQVPQS-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN Cc1ccc([C@@H](N)COC[C@@H]2CCOC2)cc1 ZINC000049689415 178859840 /nfs/dbraw/zinc/85/98/40/178859840.db2.gz NOOYZNMZYRASQP-OCCSQVGLSA-N 0 3 235.327 2.048 10 0 BEAEHN CCN1CCC[C@@H]1CN(C)Cc1nccs1 ZINC000135117722 345432629 /nfs/dbraw/zinc/43/26/29/345432629.db2.gz XMSZOBJGIHHAQH-LLVKDONJSA-N 0 3 239.388 2.059 10 0 BEAEHN OC1(C2CC2)CN(CC2CCCCC2)C1 ZINC000091383419 345591413 /nfs/dbraw/zinc/59/14/13/345591413.db2.gz OITWOBHOXYPOOP-UHFFFAOYSA-N 0 3 209.333 2.023 10 0 BEAEHN COc1cc2c(cn1)CN(C(C)(C)C)CC2 ZINC000114158126 345755782 /nfs/dbraw/zinc/75/57/82/345755782.db2.gz YUZCTAMEDAVCLG-UHFFFAOYSA-N 0 3 220.316 2.247 10 0 BEAEHN C/C(=N\c1ccc(Br)cn1)N(C)C ZINC000114237442 345755864 /nfs/dbraw/zinc/75/58/64/345755864.db2.gz BEEGJLLYCMCQRU-KPKJPENVSA-N 0 3 242.120 2.456 10 0 BEAEHN CCN1CCC2(CC1)c1cccc(C)c1NC2=O ZINC000033824260 345816262 /nfs/dbraw/zinc/81/62/62/345816262.db2.gz TXYHZCLXOQWSKX-UHFFFAOYSA-N 0 3 244.338 2.301 10 0 BEAEHN Cc1nc(CN)cc(-c2c(F)cccc2F)n1 ZINC000257610759 345780899 /nfs/dbraw/zinc/78/08/99/345780899.db2.gz UBDQLAUQVPGNMC-UHFFFAOYSA-N 0 3 235.237 2.189 10 0 BEAEHN O[C@H]1/C(=C\c2ccccc2)N2CCC1CC2 ZINC000033477291 345799364 /nfs/dbraw/zinc/79/93/64/345799364.db2.gz XCJLSGXSDDYLKZ-JWAFFJSPSA-N 0 3 215.296 2.114 10 0 BEAEHN c1cc2c3c(ccc4c3c1CNC4)CNC2 ZINC000034590600 345834389 /nfs/dbraw/zinc/83/43/89/345834389.db2.gz HITIEOYNGDBUDI-UHFFFAOYSA-N 0 3 210.280 2.046 10 0 BEAEHN CCCCCCNc1cc(N)nc(C)n1 ZINC000087831032 345940115 /nfs/dbraw/zinc/94/01/15/345940115.db2.gz LDVPJEQEEWOLSW-UHFFFAOYSA-N 0 3 208.309 2.359 10 0 BEAEHN CCCCN(C)c1cc(NC)nc(C)n1 ZINC000087801020 345941218 /nfs/dbraw/zinc/94/12/18/345941218.db2.gz HKBMCQXQXIBSEV-UHFFFAOYSA-N 0 3 208.309 2.063 10 0 BEAEHN Cc1cc(C)c([C@@H]2NCCc3nc[nH]c32)s1 ZINC000719502502 537931678 /nfs/dbraw/zinc/93/16/78/537931678.db2.gz ZGTGDKVRZVEMGP-LLVKDONJSA-N 0 3 233.340 2.323 10 0 BEAEHN NC[C@H](O)c1cc(Cl)sc1Cl ZINC000236251493 346216197 /nfs/dbraw/zinc/21/61/97/346216197.db2.gz CPOLDZJVMKFDNN-BYPYZUCNSA-N 0 3 212.101 2.047 10 0 BEAEHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000170863439 179011111 /nfs/dbraw/zinc/01/11/11/179011111.db2.gz ICUPZLIGQHSJOW-CYBMUJFWSA-N 0 3 246.354 2.080 10 0 BEAEHN Cc1cc(CN[C@@H]2C[C@H]2CO)ccc1Cl ZINC000309092211 349956330 /nfs/dbraw/zinc/95/63/30/349956330.db2.gz CMVVQIHVESQFJD-CMPLNLGQSA-N 0 3 225.719 2.119 10 0 BEAEHN CC[C@](F)(CN)c1c(F)cccc1F ZINC000158345285 346394494 /nfs/dbraw/zinc/39/44/94/346394494.db2.gz DDVWZDJFWGMJOH-JTQLQIEISA-N 0 3 203.207 2.498 10 0 BEAEHN O=C(c1ccc(Cl)cc1F)[C@@H]1CCCN1 ZINC000167665815 346456588 /nfs/dbraw/zinc/45/65/88/346456588.db2.gz XFPQNKKWUHGCOZ-JTQLQIEISA-N 0 3 227.666 2.414 10 0 BEAEHN CCN(C)Cc1csc(CNCC2CC2)n1 ZINC000669379873 537982113 /nfs/dbraw/zinc/98/21/13/537982113.db2.gz LCFYHDKLJZTVCL-UHFFFAOYSA-N 0 3 239.388 2.094 10 0 BEAEHN CCNc1ccc(Br)cc1CN ZINC000165225497 346645607 /nfs/dbraw/zinc/64/56/07/346645607.db2.gz SBGUQAJDGIFXLA-UHFFFAOYSA-N 0 3 229.121 2.340 10 0 BEAEHN Cc1ccc(N2CCNCC2)c(-n2cccc2)c1 ZINC000039042480 347174912 /nfs/dbraw/zinc/17/49/12/347174912.db2.gz LLQJXSMQLXWXEJ-UHFFFAOYSA-N 0 3 241.338 2.195 10 0 BEAEHN Cc1cccc2c(N3CC[C@H](CO)C3)ccnc12 ZINC000301675504 179211060 /nfs/dbraw/zinc/21/10/60/179211060.db2.gz PRVDIBSBQHELSX-LBPRGKRZSA-N 0 3 242.322 2.362 10 0 BEAEHN Cc1cc(Br)cnc1C1(N)CC1 ZINC000216446975 347303736 /nfs/dbraw/zinc/30/37/36/347303736.db2.gz KFJXZMUJMIKWMZ-UHFFFAOYSA-N 0 3 227.105 2.100 10 0 BEAEHN CCNCc1cc(N)ccc1Br ZINC000149904735 347553232 /nfs/dbraw/zinc/55/32/32/347553232.db2.gz VVJDEUUDOACKKO-UHFFFAOYSA-N 0 3 229.121 2.141 10 0 BEAEHN Cc1ccccc1CC[C@H]1COC[C@H](C)N1 ZINC000071521365 179267237 /nfs/dbraw/zinc/26/72/37/179267237.db2.gz IXPXNBFHSMTLQG-JSGCOSHPSA-N 0 3 219.328 2.305 10 0 BEAEHN CCC1(CC)C[C@@H](N)c2cccnc2O1 ZINC000616569441 347699128 /nfs/dbraw/zinc/69/91/28/347699128.db2.gz UKJYHGPLAIYRPB-SNVBAGLBSA-N 0 3 206.289 2.423 10 0 BEAEHN Cc1nc[nH]c1CNCc1ccccc1C ZINC000054796530 179283303 /nfs/dbraw/zinc/28/33/03/179283303.db2.gz HJWGQWUONCBFEM-UHFFFAOYSA-N 0 3 215.300 2.316 10 0 BEAEHN Cc1ccccc1CNc1nccn1C ZINC000050605969 179285840 /nfs/dbraw/zinc/28/58/40/179285840.db2.gz JJZNAGIPAPJMKQ-UHFFFAOYSA-N 0 3 201.273 2.341 10 0 BEAEHN Fc1c(Br)ccc2c1CNCC2 ZINC000216460899 347801679 /nfs/dbraw/zinc/80/16/79/347801679.db2.gz MVNGHXOUJOLZIK-UHFFFAOYSA-N 0 3 230.080 2.234 10 0 BEAEHN Cc1nn(C)c(N(C)c2ccccc2C)c1CN ZINC000049988155 179295016 /nfs/dbraw/zinc/29/50/16/179295016.db2.gz JAXYRPOTOMNKFA-UHFFFAOYSA-N 0 3 244.342 2.264 10 0 BEAEHN Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C)N1 ZINC000019439672 179303969 /nfs/dbraw/zinc/30/39/69/179303969.db2.gz SUHYMVVYTIPOSB-WCQYABFASA-N 0 3 232.327 2.464 10 0 BEAEHN Cc1ccccc1[C@@H](N)CN1CCCCC1=O ZINC000020296235 179324387 /nfs/dbraw/zinc/32/43/87/179324387.db2.gz DUCSXYSNBFUOAS-ZDUSSCGKSA-N 0 3 232.327 2.007 10 0 BEAEHN Cc1ccccc1[C@@H](N)COC[C@@H]1CCCO1 ZINC000019394059 179324744 /nfs/dbraw/zinc/32/47/44/179324744.db2.gz VOBDFOVCKJPFBK-JSGCOSHPSA-N 0 3 235.327 2.190 10 0 BEAEHN Cc1ccccc1[C@H]1CN(C2CC2)CCN1 ZINC000056894862 179348967 /nfs/dbraw/zinc/34/89/67/179348967.db2.gz MMXKCDKDRSLJLT-CQSZACIVSA-N 0 3 216.328 2.104 10 0 BEAEHN Cc1ccccc1[C@H](N)COCC1CCOCC1 ZINC000052153349 179344132 /nfs/dbraw/zinc/34/41/32/179344132.db2.gz KSGNWJAQTVYOEJ-OAHLLOKOSA-N 0 3 249.354 2.438 10 0 BEAEHN Cc1ccccc1[C@H](N)CN1CCCCC1=O ZINC000020296236 179344224 /nfs/dbraw/zinc/34/42/24/179344224.db2.gz DUCSXYSNBFUOAS-CYBMUJFWSA-N 0 3 232.327 2.007 10 0 BEAEHN Cc1cccn2c([C@@H](N)C(C)C)cnc12 ZINC000031911692 179355322 /nfs/dbraw/zinc/35/53/22/179355322.db2.gz PMNOQLMMKRZMKN-NSHDSACASA-N 0 3 203.289 2.299 10 0 BEAEHN Cc1cccnc1C(=O)Nc1ccccc1CN ZINC000104304929 179366204 /nfs/dbraw/zinc/36/62/04/179366204.db2.gz SNUYPVIIPYRZNJ-UHFFFAOYSA-N 0 3 241.294 2.101 10 0 BEAEHN Cc1cccnc1[C@H](N)CC1CCOCC1 ZINC000060700661 179397783 /nfs/dbraw/zinc/39/77/83/179397783.db2.gz HGEFLZSHLDJFHQ-GFCCVEGCSA-N 0 3 220.316 2.207 10 0 BEAEHN CC(C)CN1C[C@]2(C[C@H]2N)c2ccccc21 ZINC000725246923 538009524 /nfs/dbraw/zinc/00/95/24/538009524.db2.gz BAQKMAWXSPRXCI-ZIAGYGMSSA-N 0 3 216.328 2.131 10 0 BEAEHN N[C@H]1C[C@]12CNc1c2c(Cl)ccc1Cl ZINC000725247317 538010532 /nfs/dbraw/zinc/01/05/32/538010532.db2.gz MDVVREBKRCHWQO-XVKPBYJWSA-N 0 3 229.110 2.388 10 0 BEAEHN CN(Cc1ccoc1)C[C@@H]1CCCC[C@@H]1O ZINC000053923581 348794182 /nfs/dbraw/zinc/79/41/82/348794182.db2.gz VCWVSBCIJMNOAP-STQMWFEESA-N 0 3 223.316 2.263 10 0 BEAEHN N[C@@H]1C[C@@]12CNc1c2c(Cl)ccc1Cl ZINC000725247313 538011774 /nfs/dbraw/zinc/01/17/74/538011774.db2.gz MDVVREBKRCHWQO-GMSGAONNSA-N 0 3 229.110 2.388 10 0 BEAEHN CCCCCN(C(=O)[C@@H](C)NC)C(C)C ZINC000054075091 348877098 /nfs/dbraw/zinc/87/70/98/348877098.db2.gz IJIKMADBOUKSHX-LLVKDONJSA-N 0 3 214.353 2.022 10 0 BEAEHN CN[C@H](C)C(=O)Nc1ccc(C)c2ncccc12 ZINC000054074342 348889684 /nfs/dbraw/zinc/88/96/84/348889684.db2.gz ZQMUZGTTXILAOP-SNVBAGLBSA-N 0 3 243.310 2.090 10 0 BEAEHN O[C@@H]1CCC[C@H](Nc2ccnc3ccccc32)C1 ZINC000599516513 349205216 /nfs/dbraw/zinc/20/52/16/349205216.db2.gz HSABMUJLFBWOIL-NWDGAFQWSA-N 0 3 242.322 2.372 10 0 BEAEHN FC1(CNC[C@@H]2CCCO2)CCCC1 ZINC000616580935 349262634 /nfs/dbraw/zinc/26/26/34/349262634.db2.gz ACBYRBSCGQZDOU-JTQLQIEISA-N 0 3 201.285 2.037 10 0 BEAEHN CCCCc1nc2c(n1C)[C@@H](N)CCC2 ZINC000725253361 538037183 /nfs/dbraw/zinc/03/71/83/538037183.db2.gz JRRIXCGXFJTJHW-VIFPVBQESA-N 0 3 207.321 2.099 10 0 BEAEHN Cc1nc(C2CCCC2)ncc1[C@@H](C)N ZINC000054962582 179926782 /nfs/dbraw/zinc/92/67/82/179926782.db2.gz HGOJICNKNSQWSM-MRVPVSSYSA-N 0 3 205.305 2.462 10 0 BEAEHN NCc1nccc2ccc(Br)cc21 ZINC000217010195 350014730 /nfs/dbraw/zinc/01/47/30/350014730.db2.gz JJPXUXBJIGEOBN-UHFFFAOYSA-N 0 3 237.100 2.456 10 0 BEAEHN Cc1nc(N2CCC(C)CC2)sc1CN ZINC000054995096 180000394 /nfs/dbraw/zinc/00/03/94/180000394.db2.gz YXYKIBHHEQBQGM-UHFFFAOYSA-N 0 3 225.361 2.147 10 0 BEAEHN Cc1nc(N2CCCCCC2)sc1CN ZINC000054995626 180002166 /nfs/dbraw/zinc/00/21/66/180002166.db2.gz DXERVHMSXCIZAQ-UHFFFAOYSA-N 0 3 225.361 2.291 10 0 BEAEHN Cc1nc(N2CCCC[C@H]2C)sc1CN ZINC000054995273 180002835 /nfs/dbraw/zinc/00/28/35/180002835.db2.gz ZNHURCGSQFSSCE-MRVPVSSYSA-N 0 3 225.361 2.289 10 0 BEAEHN Cc1nc([C@H](N)C2CCOCC2)sc1C ZINC000052179396 180053412 /nfs/dbraw/zinc/05/34/12/180053412.db2.gz QPRHSEKSNBJLPH-SNVBAGLBSA-N 0 3 226.345 2.186 10 0 BEAEHN C[C@H](CCNCc1cccc(F)c1)[S@@](C)=O ZINC000132595621 191034266 /nfs/dbraw/zinc/03/42/66/191034266.db2.gz BUOQMFWGIQCNEF-HWPZZCPQSA-N 0 3 243.347 2.072 10 0 BEAEHN Cc1nn2ccn(C3CCCC3)c2c1CN ZINC000409438167 350137859 /nfs/dbraw/zinc/13/78/59/350137859.db2.gz LEWJLHJZUMYCQZ-UHFFFAOYSA-N 0 3 218.304 2.018 10 0 BEAEHN COCc1ccc(OC(F)(F)F)c(CN)c1 ZINC000220013836 350155930 /nfs/dbraw/zinc/15/59/30/350155930.db2.gz BRSVJAIXGUXRBM-UHFFFAOYSA-N 0 3 235.205 2.190 10 0 BEAEHN CCc1ccc(CNCC2(CCO)CC2)o1 ZINC000133058906 191036973 /nfs/dbraw/zinc/03/69/73/191036973.db2.gz GOESJUGYYQSOCW-UHFFFAOYSA-N 0 3 223.316 2.094 10 0 BEAEHN CC[C@@H](C)c1nc2ccccn2c1CN ZINC000725259729 538080524 /nfs/dbraw/zinc/08/05/24/538080524.db2.gz HNIZXDWUYMUYBO-SECBINFHSA-N 0 3 203.289 2.307 10 0 BEAEHN Cc1nccn1Cc1occc1CNC(C)C ZINC000052576068 180271802 /nfs/dbraw/zinc/27/18/02/180271802.db2.gz NNZPMQJPKQGRKZ-UHFFFAOYSA-N 0 3 233.315 2.331 10 0 BEAEHN Cc1ncn(C[C@H](N)c2ccccc2)c1C ZINC000051926527 180287603 /nfs/dbraw/zinc/28/76/03/180287603.db2.gz ZDZUQKVFUIKVQT-ZDUSSCGKSA-N 0 3 215.300 2.200 10 0 BEAEHN Cc1ncn([C@@H](CN)c2cccs2)c1C ZINC000051925853 180289445 /nfs/dbraw/zinc/28/94/45/180289445.db2.gz INAGVPMQIPVPGW-JTQLQIEISA-N 0 3 221.329 2.110 10 0 BEAEHN Cc1ncn([C@H]2Cc3ccccc3[C@@H]2N)c1C ZINC000051926450 180289691 /nfs/dbraw/zinc/28/96/91/180289691.db2.gz LDMPNTXERQRTJD-KBPBESRZSA-N 0 3 227.311 2.297 10 0 BEAEHN Cc1nccnc1[C@H](C)N[C@H]1CCO[C@@H](C)C1 ZINC000219213896 180283761 /nfs/dbraw/zinc/28/37/61/180283761.db2.gz TVUUJABVKJLVAW-DLOVCJGASA-N 0 3 235.331 2.003 10 0 BEAEHN Cc1nccnc1[C@H](C)N[C@@H]1CCO[C@@H](C)C1 ZINC000219213732 180284485 /nfs/dbraw/zinc/28/44/85/180284485.db2.gz TVUUJABVKJLVAW-ZMLRMANQSA-N 0 3 235.331 2.003 10 0 BEAEHN N[C@H]1CCOc2c(Cl)cc(F)cc21 ZINC000037901960 350290508 /nfs/dbraw/zinc/29/05/08/350290508.db2.gz YXTFAAHHOXCWKE-QMMMGPOBSA-N 0 3 201.628 2.261 10 0 BEAEHN N[C@@H]1CCOc2c(Cl)cc(F)cc21 ZINC000037901959 350290726 /nfs/dbraw/zinc/29/07/26/350290726.db2.gz YXTFAAHHOXCWKE-MRVPVSSYSA-N 0 3 201.628 2.261 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000079341868 350360330 /nfs/dbraw/zinc/36/03/30/350360330.db2.gz GDUUUEONYQNZRN-VXGBXAGGSA-N 0 3 240.391 2.269 10 0 BEAEHN Cc1nn(-c2cccc(F)c2)c(C)c1CN ZINC000041232419 180329256 /nfs/dbraw/zinc/32/92/56/180329256.db2.gz ONLDDMQJVPLNHL-UHFFFAOYSA-N 0 3 219.263 2.087 10 0 BEAEHN Cc1nn(C)c(C)c1[C@@H](N)c1ccccc1F ZINC000075872398 180347285 /nfs/dbraw/zinc/34/72/85/180347285.db2.gz ZIVXAHIXVANNIR-ZDUSSCGKSA-N 0 3 233.290 2.224 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ccnnc2)CC1 ZINC000616592494 350463827 /nfs/dbraw/zinc/46/38/27/350463827.db2.gz FAALZKONHHEJAW-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CN1CCO[C@@H](c2cccc(F)c2)CC1 ZINC000616592534 350464442 /nfs/dbraw/zinc/46/44/42/350464442.db2.gz BNICMKULJPMJMS-GFCCVEGCSA-N 0 3 209.264 2.219 10 0 BEAEHN CCCCc1cc(CN)nc(C2CC2)n1 ZINC000409437246 350480395 /nfs/dbraw/zinc/48/03/95/350480395.db2.gz FIAODLUMFQKFPP-UHFFFAOYSA-N 0 3 205.305 2.155 10 0 BEAEHN Cc1nn([C@@H](CN)c2ccco2)c(C)c1Cl ZINC000050586332 180392355 /nfs/dbraw/zinc/39/23/55/180392355.db2.gz VHGUNGGSYHTWDO-VIFPVBQESA-N 0 3 239.706 2.294 10 0 BEAEHN CN(C)[C@@H](CN)c1sccc1Br ZINC000228001933 350522942 /nfs/dbraw/zinc/52/29/42/350522942.db2.gz QHZGKXIFIKTTCF-ZETCQYMHSA-N 0 3 249.177 2.072 10 0 BEAEHN CN1CCOC[C@H](c2cccc3ccncc32)C1 ZINC000616595370 350606536 /nfs/dbraw/zinc/60/65/36/350606536.db2.gz VYVWZJWOLKSEQG-CYBMUJFWSA-N 0 3 242.322 2.280 10 0 BEAEHN CCN1CCO[C@@H](c2ccccc2CCO)CC1 ZINC000616595514 350607339 /nfs/dbraw/zinc/60/73/39/350607339.db2.gz WORBASJFZLPUGO-OAHLLOKOSA-N 0 3 249.354 2.005 10 0 BEAEHN CN1CCO[C@@H](c2ccc(F)cc2)CC1 ZINC000616595618 350610040 /nfs/dbraw/zinc/61/00/40/350610040.db2.gz XBSQVRRQQNCIPF-GFCCVEGCSA-N 0 3 209.264 2.219 10 0 BEAEHN CC(C)(C)N1CCO[C@H](c2ccc(N)nc2)CC1 ZINC000616595812 350611716 /nfs/dbraw/zinc/61/17/16/350611716.db2.gz YYZDOOINHZMKBV-LBPRGKRZSA-N 0 3 249.358 2.056 10 0 BEAEHN CC(C)(C)N1CCCOC[C@H]1c1ccnnc1 ZINC000616596650 350634337 /nfs/dbraw/zinc/63/43/37/350634337.db2.gz GOGQZMAKPYNTGP-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN CCN1CCOCC[C@@H]1c1ccc(OC)cc1 ZINC000616597558 350652689 /nfs/dbraw/zinc/65/26/89/350652689.db2.gz BFLOJFNNQZJXHI-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CCN1CCOCC[C@@H]1c1cccc(OC)c1 ZINC000616599665 350754174 /nfs/dbraw/zinc/75/41/74/350754174.db2.gz UEPAATNTZDRFII-CQSZACIVSA-N 0 3 235.327 2.479 10 0 BEAEHN CN1CCC[C@H]1c1cc2ccccc2nn1 ZINC000616606365 350797576 /nfs/dbraw/zinc/79/75/76/350797576.db2.gz GSDFDSCHECHLLE-ZDUSSCGKSA-N 0 3 213.284 2.397 10 0 BEAEHN OCCN1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616608401 350804671 /nfs/dbraw/zinc/80/46/71/350804671.db2.gz STXJPZVMHZGMDO-HNNXBMFYSA-N 0 3 242.322 2.364 10 0 BEAEHN CN[C@H](C)c1cc(Br)ncc1F ZINC000306696090 350846544 /nfs/dbraw/zinc/84/65/44/350846544.db2.gz WVNOLAGAFAOEDE-RXMQYKEDSA-N 0 3 233.084 2.264 10 0 BEAEHN CC(C)N1CCCC[C@H]1c1ccncn1 ZINC000616615810 350851328 /nfs/dbraw/zinc/85/13/28/350851328.db2.gz TUPWKEHZNLCPBY-LBPRGKRZSA-N 0 3 205.305 2.412 10 0 BEAEHN CNc1ccccc1[C@@H]1CCCCN1CCO ZINC000616616690 350857468 /nfs/dbraw/zinc/85/74/68/350857468.db2.gz TWYLZHYLURVWES-AWEZNQCLSA-N 0 3 234.343 2.248 10 0 BEAEHN CN1CCCCC[C@H]1c1cccnc1N ZINC000616620231 350937661 /nfs/dbraw/zinc/93/76/61/350937661.db2.gz DGOWEERXTWHNQF-NSHDSACASA-N 0 3 205.305 2.211 10 0 BEAEHN NC[C@@H](N)c1cc(Cl)sc1Cl ZINC000306750897 350959678 /nfs/dbraw/zinc/95/96/78/350959678.db2.gz JRBZTGXORCABAO-SCSAIBSYSA-N 0 3 211.117 2.013 10 0 BEAEHN CCC(C)(C)NC(=O)CN(C)CCC(C)C ZINC000052245828 350971868 /nfs/dbraw/zinc/97/18/68/350971868.db2.gz CYCMFOAJOIRBOB-UHFFFAOYSA-N 0 3 228.380 2.269 10 0 BEAEHN CN(Cc1ccoc1CN)Cc1ccccc1 ZINC000052417462 350991915 /nfs/dbraw/zinc/99/19/15/350991915.db2.gz PAOXYFQZRFULOR-UHFFFAOYSA-N 0 3 230.311 2.370 10 0 BEAEHN CO[C@H](C)[C@]1(C)NCCc2sccc21 ZINC000306770570 351003639 /nfs/dbraw/zinc/00/36/39/351003639.db2.gz FXVRGCLXMRXQKR-KCJUWKMLSA-N 0 3 211.330 2.144 10 0 BEAEHN CN[C@@H]1COc2c1cc(Br)cc2C ZINC000063061413 350949071 /nfs/dbraw/zinc/94/90/71/350949071.db2.gz ZHBQOSMOHNFGBM-SECBINFHSA-N 0 3 242.116 2.410 10 0 BEAEHN N[C@H](c1ccsc1)C1(CO)CCCC1 ZINC000306807307 351059516 /nfs/dbraw/zinc/05/95/16/351059516.db2.gz LXFRFCCFGOEEKE-SNVBAGLBSA-N 0 3 211.330 2.301 10 0 BEAEHN CN1CCC[C@H]1c1cnnc2ccccc21 ZINC000616634562 351117153 /nfs/dbraw/zinc/11/71/53/351117153.db2.gz TVOXDVGSDZENGX-ZDUSSCGKSA-N 0 3 213.284 2.397 10 0 BEAEHN CCN1CCCCC[C@H]1c1cccnn1 ZINC000616622478 351085968 /nfs/dbraw/zinc/08/59/68/351085968.db2.gz ZJFUDUNRUGQQBB-LBPRGKRZSA-N 0 3 205.305 2.414 10 0 BEAEHN CN1CCCCC[C@@H]1c1cccc(N)n1 ZINC000616622540 351086842 /nfs/dbraw/zinc/08/68/42/351086842.db2.gz DPNBNRVAKCZBGV-LLVKDONJSA-N 0 3 205.305 2.211 10 0 BEAEHN CC(=O)Nc1ccccc1[C@@H]1CCN(C)C1 ZINC000616625429 351093618 /nfs/dbraw/zinc/09/36/18/351093618.db2.gz MYDKUZIZPJONGG-LLVKDONJSA-N 0 3 218.300 2.064 10 0 BEAEHN N[C@H](c1cscn1)C1CC(F)(F)C1 ZINC000306846599 351158403 /nfs/dbraw/zinc/15/84/03/351158403.db2.gz KESOVWXFPMLISE-ZETCQYMHSA-N 0 3 204.245 2.188 10 0 BEAEHN Cc1cc(-n2ccc(Br)n2)ccn1 ZINC000306848164 351158701 /nfs/dbraw/zinc/15/87/01/351158701.db2.gz MIPJRJQYTQCYAO-UHFFFAOYSA-N 0 3 238.088 2.338 10 0 BEAEHN CC(C)N1CCCOC[C@@H]1c1ccccc1N ZINC000616645356 351167469 /nfs/dbraw/zinc/16/74/69/351167469.db2.gz JXSMADZXLATDAA-CQSZACIVSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)(C)N1CCCO[C@H](c2cccnn2)C1 ZINC000616650106 351173297 /nfs/dbraw/zinc/17/32/97/351173297.db2.gz TUHGGGSUYZSBDB-LBPRGKRZSA-N 0 3 235.331 2.039 10 0 BEAEHN c1cnc2ccc([C@@H]3COCCCN3)cc2c1 ZINC000616647895 351174983 /nfs/dbraw/zinc/17/49/83/351174983.db2.gz OPEZSFYJOWEFTD-AWEZNQCLSA-N 0 3 228.295 2.286 10 0 BEAEHN c1cnc2c(c1)cccc2[C@@H]1COCCCN1 ZINC000616648757 351177088 /nfs/dbraw/zinc/17/70/88/351177088.db2.gz WYGHKUMIYVJTIQ-ZDUSSCGKSA-N 0 3 228.295 2.286 10 0 BEAEHN CC(C)N1CCCO[C@H](c2ccccn2)C1 ZINC000616649909 351179760 /nfs/dbraw/zinc/17/97/60/351179760.db2.gz PCTAAQLMLQYFKF-ZDUSSCGKSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2cccnc2)C1 ZINC000616652755 351186163 /nfs/dbraw/zinc/18/61/63/351186163.db2.gz JOYNYOOFFOUINE-CYBMUJFWSA-N 0 3 220.316 2.253 10 0 BEAEHN CC(C)N1CCCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616652706 351186186 /nfs/dbraw/zinc/18/61/86/351186186.db2.gz IZICKCZBZGSTAP-OAHLLOKOSA-N 0 3 249.354 2.351 10 0 BEAEHN CCN1CCNC[C@@H]1c1ccc2cccnc2c1 ZINC000616637309 351132242 /nfs/dbraw/zinc/13/22/42/351132242.db2.gz JOJWNMWDSKOJNN-OAHLLOKOSA-N 0 3 241.338 2.201 10 0 BEAEHN CC(C)(C)N1CCOC[C@@H]1c1cccc(N)c1 ZINC000616637906 351136657 /nfs/dbraw/zinc/13/66/57/351136657.db2.gz RMFSZKSVFFJYAI-CYBMUJFWSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(C)N1CCO[C@H](c2cccc(N)c2)CC1 ZINC000616684142 351255043 /nfs/dbraw/zinc/25/50/43/351255043.db2.gz DPZJAYYWOIAEID-AWEZNQCLSA-N 0 3 234.343 2.441 10 0 BEAEHN CC(=O)Nc1ccc([C@@H]2CCN(C)CCO2)cc1 ZINC000616686954 351257567 /nfs/dbraw/zinc/25/75/67/351257567.db2.gz NABNUPOTVIIYFH-AWEZNQCLSA-N 0 3 248.326 2.038 10 0 BEAEHN CC(C)N1CCO[C@H](c2cccc(CO)c2)CC1 ZINC000616687014 351258517 /nfs/dbraw/zinc/25/85/17/351258517.db2.gz QAAGNFYLAVAAPK-HNNXBMFYSA-N 0 3 249.354 2.351 10 0 BEAEHN CN1CCOCC[C@H]1c1ccc2ccnnc2c1 ZINC000616659420 351207077 /nfs/dbraw/zinc/20/70/77/351207077.db2.gz RUFZHBWXMVDLLU-AWEZNQCLSA-N 0 3 243.310 2.023 10 0 BEAEHN CCN1CCOC[C@@H](c2ccc(OC)cc2)C1 ZINC000616662274 351217448 /nfs/dbraw/zinc/21/74/48/351217448.db2.gz ZXDILYFMRRQLAE-ZDUSSCGKSA-N 0 3 235.327 2.131 10 0 BEAEHN CC(C)(C)N1CCO[C@@H](Nc2ccccn2)CC1 ZINC000616666325 351225723 /nfs/dbraw/zinc/22/57/23/351225723.db2.gz OHKSCVHKMYMVTA-CYBMUJFWSA-N 0 3 249.358 2.340 10 0 BEAEHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC=O ZINC000306886154 351293225 /nfs/dbraw/zinc/29/32/25/351293225.db2.gz SECUSNFUYIWMDL-CQSZACIVSA-N 0 3 246.354 2.033 10 0 BEAEHN NCc1cc(F)c(F)c(OC(F)F)c1 ZINC000306901526 351316366 /nfs/dbraw/zinc/31/63/66/351316366.db2.gz OHWSNFUJOVAOHI-UHFFFAOYSA-N 0 3 209.142 2.025 10 0 BEAEHN C[C@H]1N(Cc2ccccc2)CC[C@]12NCCS2 ZINC000306987760 351404461 /nfs/dbraw/zinc/40/44/61/351404461.db2.gz QMUMAIYFLCORPO-TZMCWYRMSA-N 0 3 248.395 2.314 10 0 BEAEHN Cc1cc(CNCC2C[C@@H](C)O[C@H](C)C2)on1 ZINC000631126880 351377961 /nfs/dbraw/zinc/37/79/61/351377961.db2.gz NCNSVACMGGRYLP-GHMZBOCLSA-N 0 3 238.331 2.276 10 0 BEAEHN CN(c1cc(N)ncc1Br)C1CC1 ZINC000306971498 351393495 /nfs/dbraw/zinc/39/34/95/351393495.db2.gz KEIDANOBILCZRU-UHFFFAOYSA-N 0 3 242.120 2.025 10 0 BEAEHN C[C@](F)(c1ccns1)[C@@H]1CCCN1 ZINC000306983020 351406324 /nfs/dbraw/zinc/40/63/24/351406324.db2.gz KBTWKOKYDJOFTA-IONNQARKSA-N 0 3 200.282 2.080 10 0 BEAEHN Cn1cc([C@@H](N)c2ccccc2Cl)cn1 ZINC000034957685 351363035 /nfs/dbraw/zinc/36/30/35/351363035.db2.gz FQGMCLKNEMFIME-LLVKDONJSA-N 0 3 221.691 2.122 10 0 BEAEHN C[C@@H]1CSC[C@@]12N[C@H](C)CCS2 ZINC000307108419 351483040 /nfs/dbraw/zinc/48/30/40/351483040.db2.gz JFVIMAHFOPSVBU-HLTSFMKQSA-N 0 3 203.376 2.181 10 0 BEAEHN C[C@H]1CSC[C@@]12N[C@H](C)CCS2 ZINC000307108426 351483256 /nfs/dbraw/zinc/48/32/56/351483256.db2.gz JFVIMAHFOPSVBU-YIZRAAEISA-N 0 3 203.376 2.181 10 0 BEAEHN C[C@]1([C@H]2NCCCS2)CCCS1 ZINC000307167326 351537105 /nfs/dbraw/zinc/53/71/05/351537105.db2.gz RGHHWPOIJVGIBE-DTWKUNHWSA-N 0 3 203.376 2.325 10 0 BEAEHN CC1(C)SC[C@@H]1NCc1sccc1N ZINC000307169693 351544379 /nfs/dbraw/zinc/54/43/79/351544379.db2.gz YTLOVRWEQJKACB-VIFPVBQESA-N 0 3 228.386 2.314 10 0 BEAEHN N[C@H](c1cnsc1)[C@H]1CCCCS1 ZINC000404592660 351593509 /nfs/dbraw/zinc/59/35/09/351593509.db2.gz MIUJBLYJQKYFNB-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@@]1([C@H](N)c2cnsc2)CCCS1 ZINC000404592643 351593732 /nfs/dbraw/zinc/59/37/32/351593732.db2.gz MHOIQYVSAHGBOQ-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN Cc1cc2c(cc1Br)OCCNC2 ZINC000307253248 351780259 /nfs/dbraw/zinc/78/02/59/351780259.db2.gz UXHAAXGSCLEKSG-UHFFFAOYSA-N 0 3 242.116 2.240 10 0 BEAEHN CCN[C@H](C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000637904267 351774096 /nfs/dbraw/zinc/77/40/96/351774096.db2.gz IAIDEWCZVWDXDV-YPMHNXCESA-N 0 3 234.343 2.252 10 0 BEAEHN CC(C)CC[C@H](N)C(=O)N[C@@H](C)C1CCCC1 ZINC000637991060 351864932 /nfs/dbraw/zinc/86/49/32/351864932.db2.gz MGDFICXXWRLHAD-AAEUAGOBSA-N 0 3 240.391 2.445 10 0 BEAEHN CC(C)CC[C@@H](N)C(=O)N[C@@H](C)C1CCCC1 ZINC000637991063 351865389 /nfs/dbraw/zinc/86/53/89/351865389.db2.gz MGDFICXXWRLHAD-WCQYABFASA-N 0 3 240.391 2.445 10 0 BEAEHN COc1cc([C@@H](N)[C@@H]2CC2(C)C)sn1 ZINC000307339619 352081320 /nfs/dbraw/zinc/08/13/20/352081320.db2.gz SAJFIJSIWSJYMQ-RCOVLWMOSA-N 0 3 212.318 2.198 10 0 BEAEHN Cc1cc([C@H](N)[C@@]2(C)C[C@@H]2F)sn1 ZINC000307436300 352596002 /nfs/dbraw/zinc/59/60/02/352596002.db2.gz SWOMZABUAJWAIV-CIUDSAMLSA-N 0 3 200.282 2.199 10 0 BEAEHN CC1(C)[C@@H](N)[C@H]1c1ncc(Cl)s1 ZINC000300763942 352573910 /nfs/dbraw/zinc/57/39/10/352573910.db2.gz NQOKDMCPXVUCSY-WDSKDSINSA-N 0 3 202.710 2.247 10 0 BEAEHN Nc1ccc(SCCN2CCCCC2)nc1 ZINC000037191763 187768983 /nfs/dbraw/zinc/76/89/83/187768983.db2.gz YGBKBGOKZOTNDR-UHFFFAOYSA-N 0 3 237.372 2.242 10 0 BEAEHN CC[C@]1(C)CN[C@H]1c1cnc(OC)s1 ZINC000307574763 352658371 /nfs/dbraw/zinc/65/83/71/352658371.db2.gz HPWARQGLGDEJMH-WCBMZHEXSA-N 0 3 212.318 2.212 10 0 BEAEHN CC1(C)CN(C[C@H](N)c2cccs2)C1 ZINC000307518643 352633062 /nfs/dbraw/zinc/63/30/62/352633062.db2.gz LGYNLKSJWKIZCM-VIFPVBQESA-N 0 3 210.346 2.090 10 0 BEAEHN CC[C@@H]1CS[C@]2(CSC[C@H]2C)N1 ZINC000307525926 352635107 /nfs/dbraw/zinc/63/51/07/352635107.db2.gz HEYJKZZDZKZWKA-HLTSFMKQSA-N 0 3 203.376 2.181 10 0 BEAEHN Cc1cc(O)cc(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000638757123 352688347 /nfs/dbraw/zinc/68/83/47/352688347.db2.gz OKOAWIODJKNRJW-CQSZACIVSA-N 0 3 248.326 2.171 10 0 BEAEHN C[C@@H]1CSC[C@]12NC(C)(C)CS2 ZINC000307621311 352691762 /nfs/dbraw/zinc/69/17/62/352691762.db2.gz BVLVBJUWQANWJX-VXNVDRBHSA-N 0 3 203.376 2.181 10 0 BEAEHN CC(C)[C@H](C)N1CCC(O)(C(F)(F)F)CC1 ZINC000318754946 538105716 /nfs/dbraw/zinc/10/57/16/538105716.db2.gz BIACXENVLYFGNV-VIFPVBQESA-N 0 3 239.281 2.420 10 0 BEAEHN CC[C@H](OC)[C@@H]1NCCc2sccc21 ZINC000306592272 353027743 /nfs/dbraw/zinc/02/77/43/353027743.db2.gz ZLKNDBSXPACHHP-GXSJLCMTSA-N 0 3 211.330 2.360 10 0 BEAEHN c1ccc2c(c1)C[C@H](CN1CCC1)S2 ZINC000306249814 352999371 /nfs/dbraw/zinc/99/93/71/352999371.db2.gz RDYTXTBEVKLURL-LLVKDONJSA-N 0 3 205.326 2.409 10 0 BEAEHN C[C@H](N)C(=O)C[C@@H]1CCCCC1(F)F ZINC000307396092 353073541 /nfs/dbraw/zinc/07/35/41/353073541.db2.gz OHIHNRWXTILPSH-YUMQZZPRSA-N 0 3 205.248 2.118 10 0 BEAEHN CC[C@]1(C(=O)c2cc(C)ns2)CCCN1 ZINC000307718046 353108712 /nfs/dbraw/zinc/10/87/12/353108712.db2.gz OGCZIIJGLFZALV-LLVKDONJSA-N 0 3 224.329 2.166 10 0 BEAEHN NCc1cnnn1-c1cccc(Cl)c1Cl ZINC000075422684 538108894 /nfs/dbraw/zinc/10/88/94/538108894.db2.gz UQEDSWDPRBKZIN-UHFFFAOYSA-N 0 3 243.097 2.033 10 0 BEAEHN C[C@@H](N)c1ccccc1NC(=O)c1ccncc1 ZINC000022216453 188109268 /nfs/dbraw/zinc/10/92/68/188109268.db2.gz SIHZZEXLVCWOKK-SNVBAGLBSA-N 0 3 241.294 2.354 10 0 BEAEHN CC(C)C[C@H](CN(C)C)N[C@H](C)c1cc[nH]n1 ZINC000037908278 188114603 /nfs/dbraw/zinc/11/46/03/188114603.db2.gz SWQMOERHAUOFRE-VXGBXAGGSA-N 0 3 238.379 2.037 10 0 BEAEHN CN(C)Cc1c[nH]c2cccc(C=O)c12 ZINC000075602697 188116147 /nfs/dbraw/zinc/11/61/47/188116147.db2.gz XASGYSMPEREBMS-UHFFFAOYSA-N 0 3 202.257 2.042 10 0 BEAEHN CC(C)(C)c1csc(C2(N)CCOCC2)n1 ZINC000041060105 188118880 /nfs/dbraw/zinc/11/88/80/188118880.db2.gz ZKTBPYWPLLSPOD-UHFFFAOYSA-N 0 3 240.372 2.405 10 0 BEAEHN CCCn1cccc1CNC[C@@H]1CCCO1 ZINC000045205842 188124022 /nfs/dbraw/zinc/12/40/22/188124022.db2.gz JTNJZXHMVQQSCU-ZDUSSCGKSA-N 0 3 222.332 2.167 10 0 BEAEHN CC(C)(C)c1ccc([C@H](N)[C@@H]2COCCO2)cc1 ZINC000055298811 188126994 /nfs/dbraw/zinc/12/69/94/188126994.db2.gz VBSGYLCHKPQABM-KBPBESRZSA-N 0 3 249.354 2.399 10 0 BEAEHN CC(C)(C)c1ccc([S@](=O)CCN)cc1 ZINC000040954849 188149829 /nfs/dbraw/zinc/14/98/29/188149829.db2.gz BAZYXZDWQMBCJE-HNNXBMFYSA-N 0 3 225.357 2.050 10 0 BEAEHN CCN1CCC(O)(c2ccccc2C)CC1 ZINC000037716976 358477024 /nfs/dbraw/zinc/47/70/24/358477024.db2.gz ZIKOWMKYDUWHES-UHFFFAOYSA-N 0 3 219.328 2.298 10 0 BEAEHN CC(C)(CO)NCc1cccc(F)c1Cl ZINC000083358410 188180079 /nfs/dbraw/zinc/18/00/79/188180079.db2.gz SZSSHKYNXHZDAG-UHFFFAOYSA-N 0 3 231.698 2.340 10 0 BEAEHN Cc1ccc(F)c(CNC[C@@H]2CCC[C@@H]2O)c1 ZINC000230702635 188186590 /nfs/dbraw/zinc/18/65/90/188186590.db2.gz HIZFDSQVIVGARC-FZMZJTMJSA-N 0 3 237.318 2.385 10 0 BEAEHN CC(C)N1CCNC[C@@H]1c1cccs1 ZINC000077304295 188222141 /nfs/dbraw/zinc/22/21/41/188222141.db2.gz GDVXSKWGSCBVHS-SNVBAGLBSA-N 0 3 210.346 2.103 10 0 BEAEHN CN(Cc1ccsc1)[C@H]1CCC[C@H]1O ZINC000252388772 363235254 /nfs/dbraw/zinc/23/52/54/363235254.db2.gz GGNODZFCBYZGDB-WDEREUQCSA-N 0 3 211.330 2.093 10 0 BEAEHN CNC(=O)CCN[C@@H](C)c1cccc(Cl)c1 ZINC000044988083 188480266 /nfs/dbraw/zinc/48/02/66/188480266.db2.gz LFLKOXWNYLFTHG-VIFPVBQESA-N 0 3 240.734 2.127 10 0 BEAEHN CC(C)(C)c1cc(OC2CC2)c(CN)cn1 ZINC000095738122 188500865 /nfs/dbraw/zinc/50/08/65/188500865.db2.gz IGZOIWPAFQEACH-UHFFFAOYSA-N 0 3 220.316 2.379 10 0 BEAEHN Fc1ccccc1-c1noc2c1CNCC2 ZINC000019200235 181010140 /nfs/dbraw/zinc/01/01/40/181010140.db2.gz MIQGMCFXYSYAQH-UHFFFAOYSA-N 0 3 218.231 2.126 10 0 BEAEHN C[C@@H]1C[C@@H](CNCc2ccns2)C[C@H](C)O1 ZINC000639136874 353846282 /nfs/dbraw/zinc/84/62/82/353846282.db2.gz XBUZBBOEYXGCJS-JGPRNRPPSA-N 0 3 240.372 2.436 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cc(C)nn1C ZINC000233407380 363400884 /nfs/dbraw/zinc/40/08/84/363400884.db2.gz YYIBAJOFTDAOTC-CMPLNLGQSA-N 0 3 207.321 2.007 10 0 BEAEHN CCN1CCC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000040503113 358494016 /nfs/dbraw/zinc/49/40/16/358494016.db2.gz IBRXYYPIEZIMQP-NSHDSACASA-N 0 3 244.342 2.459 10 0 BEAEHN COc1ncc(CN[C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000639286122 355393560 /nfs/dbraw/zinc/39/35/60/355393560.db2.gz OJTJTSQCXWHPBU-JMJZKYOTSA-N 0 3 238.356 2.430 10 0 BEAEHN N=C(N)c1cccc(-c2cccc(F)c2F)n1 ZINC000071186739 181194931 /nfs/dbraw/zinc/19/49/31/181194931.db2.gz XHZYFEBAIVYAGY-UHFFFAOYSA-N 0 3 233.221 2.311 10 0 BEAEHN N=C(N)c1ccc2cc(Cl)ccc2n1 ZINC000062620654 181194956 /nfs/dbraw/zinc/19/49/56/181194956.db2.gz IBCSNCFRCWNPMM-UHFFFAOYSA-N 0 3 205.648 2.172 10 0 BEAEHN Cc1cc(CN)c(F)cc1Br ZINC000215962720 355621471 /nfs/dbraw/zinc/62/14/71/355621471.db2.gz JNYNTADWFDTZDI-UHFFFAOYSA-N 0 3 218.069 2.355 10 0 BEAEHN CC(C)(C)NCc1cc(N)ncc1Cl ZINC000166574729 355701009 /nfs/dbraw/zinc/70/10/09/355701009.db2.gz DATPNRIODSZXRX-UHFFFAOYSA-N 0 3 213.712 2.205 10 0 BEAEHN C[C@@H]1CCN[C@@H]([C@H]2CCSC2)S1 ZINC000300209878 358499550 /nfs/dbraw/zinc/49/95/50/358499550.db2.gz IJJBETIOWBEQEH-HRDYMLBCSA-N 0 3 203.376 2.181 10 0 BEAEHN C[C@@H](Cc1ccsc1)NCc1nccn1C ZINC000049182316 355936916 /nfs/dbraw/zinc/93/69/16/355936916.db2.gz FFELPARCCCSPFZ-JTQLQIEISA-N 0 3 235.356 2.202 10 0 BEAEHN CCN1CC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000389211626 355879965 /nfs/dbraw/zinc/87/99/65/355879965.db2.gz BZRLBTCHTRNJDY-JTQLQIEISA-N 0 3 247.367 2.224 10 0 BEAEHN C[C@@H](CN1CC[C@@H](O)C(C)(C)C1)C(F)(F)F ZINC000336180660 134119185 /nfs/dbraw/zinc/11/91/85/134119185.db2.gz BLNOHFNAAQJUNS-DTWKUNHWSA-N 0 3 239.281 2.278 10 0 BEAEHN C[C@@H]1CN(CCC(C)(F)F)CCS1 ZINC000336187441 134122011 /nfs/dbraw/zinc/12/20/11/134122011.db2.gz AUQKVIINOAQSKH-MRVPVSSYSA-N 0 3 209.305 2.469 10 0 BEAEHN CC(C)NCc1csc(-c2ccnnc2)n1 ZINC000675051003 538473389 /nfs/dbraw/zinc/47/33/89/538473389.db2.gz GHBXIKWCQXPHDQ-UHFFFAOYSA-N 0 3 234.328 2.098 10 0 BEAEHN Cc1cn2c(n1)[C@H](C1CCC1)NCCC2 ZINC000675068718 538496998 /nfs/dbraw/zinc/49/69/98/538496998.db2.gz RXLVJWNDQJFEIF-NSHDSACASA-N 0 3 205.305 2.026 10 0 BEAEHN CCCC[C@H]1NCCCn2cc(C)nc21 ZINC000675067824 538495129 /nfs/dbraw/zinc/49/51/29/538495129.db2.gz JYHZLFCZKAMORJ-LLVKDONJSA-N 0 3 207.321 2.416 10 0 BEAEHN CC[C@@H](C)[C@H]1NCCCn2cc(C)nc21 ZINC000675067785 538495183 /nfs/dbraw/zinc/49/51/83/538495183.db2.gz JKKRPTPXWIHLBU-MWLCHTKSSA-N 0 3 207.321 2.272 10 0 BEAEHN COc1nc2c(C)cccc2cc1CN ZINC000675070190 538500364 /nfs/dbraw/zinc/50/03/64/538500364.db2.gz RBLMQKPMIYXVTB-UHFFFAOYSA-N 0 3 202.257 2.011 10 0 BEAEHN C[C@H](NC[C@@H](O)C(C)(C)C)c1ccco1 ZINC000167641452 134153349 /nfs/dbraw/zinc/15/33/49/134153349.db2.gz DJFZDJKVLQHAFH-GXSJLCMTSA-N 0 3 211.305 2.337 10 0 BEAEHN CC[C@H](C)N=[S@](=O)(NC)c1ccc(N)cc1 ZINC000675073723 538505634 /nfs/dbraw/zinc/50/56/34/538505634.db2.gz AKDBKTAWCDUCCY-XXFAHNHDSA-N 0 3 241.360 2.029 10 0 BEAEHN CC[C@@H](C)N=[S@@](=O)(NC)c1ccc(N)cc1 ZINC000675073717 538505905 /nfs/dbraw/zinc/50/59/05/538505905.db2.gz AKDBKTAWCDUCCY-ABKXIKBNSA-N 0 3 241.360 2.029 10 0 BEAEHN CCN[S@@](=O)(=NC(C)C)c1ccc(N)cc1 ZINC000675074773 538507560 /nfs/dbraw/zinc/50/75/60/538507560.db2.gz HTNLWFRLCLFMPG-MRXNPFEDSA-N 0 3 241.360 2.029 10 0 BEAEHN CCc1cccc2cc(CN)c(OC)nc21 ZINC000675069519 538498275 /nfs/dbraw/zinc/49/82/75/538498275.db2.gz HWDFPBAHDPOOEV-UHFFFAOYSA-N 0 3 216.284 2.265 10 0 BEAEHN O=C1CCOC12CCN(Cc1ccccc1)CC2 ZINC000675078692 538516085 /nfs/dbraw/zinc/51/60/85/538516085.db2.gz IZQTWLAMSGCCDS-UHFFFAOYSA-N 0 3 245.322 2.011 10 0 BEAEHN CCn1ncc2c1[C@H]1CCCC[C@@H]1NC2 ZINC000675081785 538522793 /nfs/dbraw/zinc/52/27/93/538522793.db2.gz LLQSTTIFLIUZLA-QWRGUYRKSA-N 0 3 205.305 2.032 10 0 BEAEHN CC(C)CCC[C@@H]1NCCc2nc[nH]c21 ZINC000220260667 538539519 /nfs/dbraw/zinc/53/95/19/538539519.db2.gz KYVPLLNQSBIWKE-JTQLQIEISA-N 0 3 207.321 2.423 10 0 BEAEHN CCOC(=O)/C=C/CN1C[C@@H](C)C[C@H](C)C1 ZINC000087415878 538565950 /nfs/dbraw/zinc/56/59/50/538565950.db2.gz RQYWXRUXPFPPKP-WTIVYXKASA-N 0 3 225.332 2.084 10 0 BEAEHN CN[C@H](Cc1ccc(F)cc1)c1ncc[nH]1 ZINC000087341250 538566231 /nfs/dbraw/zinc/56/62/31/538566231.db2.gz VHRJUONIMNFSSW-LLVKDONJSA-N 0 3 219.263 2.052 10 0 BEAEHN CCCN(CC(=O)OC)C1CCCCC1 ZINC000050065772 357311148 /nfs/dbraw/zinc/31/11/48/357311148.db2.gz HXFVRPDUAUQPBH-UHFFFAOYSA-N 0 3 213.321 2.204 10 0 BEAEHN N[C@@H]1c2cc(Cl)ccc2CCC[C@@H]1O ZINC000039941517 491110697 /nfs/dbraw/zinc/11/06/97/491110697.db2.gz LTOASGHNLCUQCF-WDEREUQCSA-N 0 3 211.692 2.037 10 0 BEAEHN Cc1cc(C)c(CNC[C@H](O)C(C)(C)C)cn1 ZINC000397009314 357488529 /nfs/dbraw/zinc/48/85/29/357488529.db2.gz DHXFBXTWTBHDQS-ZDUSSCGKSA-N 0 3 236.359 2.195 10 0 BEAEHN Cc1cnc(CCN2CC[C@@H](O)C[C@H]2C)c(C)c1 ZINC000639938693 357944020 /nfs/dbraw/zinc/94/40/20/357944020.db2.gz IRUITEAMJHWPFK-ZIAGYGMSSA-N 0 3 248.370 2.086 10 0 BEAEHN CCC[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000036872958 358055870 /nfs/dbraw/zinc/05/58/70/358055870.db2.gz NQUOXNSBAPLGKU-LBPRGKRZSA-N 0 3 232.327 2.093 10 0 BEAEHN OCCCCN1CCC[C@H](c2nccs2)C1 ZINC000171065511 134256918 /nfs/dbraw/zinc/25/69/18/134256918.db2.gz HSYYIMPGPCWZOW-NSHDSACASA-N 0 3 240.372 2.095 10 0 BEAEHN c1ccc(Nc2cc3c(cn2)CNCC3)cc1 ZINC000584624202 358292329 /nfs/dbraw/zinc/29/23/29/358292329.db2.gz HIQHGPZTYGOJJT-UHFFFAOYSA-N 0 3 225.295 2.471 10 0 BEAEHN CN(C)[C@@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000584625402 358294372 /nfs/dbraw/zinc/29/43/72/358294372.db2.gz OBINUSWGLHKRHV-KBPBESRZSA-N 0 3 219.328 2.338 10 0 BEAEHN Cc1[nH]c(N)nc1-c1ccc(C)c(F)c1 ZINC000584644370 358329438 /nfs/dbraw/zinc/32/94/38/358329438.db2.gz JBRQGTJZURTQNK-UHFFFAOYSA-N 0 3 205.236 2.245 10 0 BEAEHN c1ccc(C2([C@H]3CCCCN3)OCCCO2)cc1 ZINC000584643157 358328020 /nfs/dbraw/zinc/32/80/20/358328020.db2.gz XESVVSFCBZYBHF-CQSZACIVSA-N 0 3 247.338 2.418 10 0 BEAEHN C[C@H](N)c1ncc(Br)cc1F ZINC000044138860 358403355 /nfs/dbraw/zinc/40/33/55/358403355.db2.gz YONGCPHDYMOYJJ-BYPYZUCNSA-N 0 3 219.057 2.003 10 0 BEAEHN C[C@@H](COCc1ccccc1)NC1CSC1 ZINC000307619289 491133859 /nfs/dbraw/zinc/13/38/59/491133859.db2.gz XAPMUUXYIITNAG-NSHDSACASA-N 0 3 237.368 2.297 10 0 BEAEHN CC[C@H]1CCCC[C@@H]1NCc1nccn1C ZINC000042579255 358526750 /nfs/dbraw/zinc/52/67/50/358526750.db2.gz WTWJYJPWGDHOOR-RYUDHWBXSA-N 0 3 221.348 2.479 10 0 BEAEHN CCN1CCC(O)(Cc2ccccc2OC)CC1 ZINC000043457624 358538721 /nfs/dbraw/zinc/53/87/21/358538721.db2.gz WGNCEUVXTFMONU-UHFFFAOYSA-N 0 3 249.354 2.085 10 0 BEAEHN C[C@@H](NCC1(CCO)CCC1)c1nccs1 ZINC000130979406 358655418 /nfs/dbraw/zinc/65/54/18/358655418.db2.gz FCFQJUBXYANDQD-SNVBAGLBSA-N 0 3 240.372 2.346 10 0 BEAEHN CCc1ccc(CN[C@H](C)[C@H]2CCCO2)o1 ZINC000051721983 358760088 /nfs/dbraw/zinc/76/00/88/358760088.db2.gz COWNTULAOAGMEN-ZWNOBZJWSA-N 0 3 223.316 2.499 10 0 BEAEHN CC[C@H]1CCCCCN1Cc1nccc(N)n1 ZINC000135094631 358820484 /nfs/dbraw/zinc/82/04/84/358820484.db2.gz UTDKWAYZYCYNLD-NSHDSACASA-N 0 3 234.347 2.213 10 0 BEAEHN COc1cccc(F)c1[C@@H](C)NCC[C@H](C)O ZINC000135146256 358822443 /nfs/dbraw/zinc/82/24/43/358822443.db2.gz VIAAQOOLMWWWGB-VHSXEESVSA-N 0 3 241.306 2.256 10 0 BEAEHN CC(=O)CCN(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134232277 358783697 /nfs/dbraw/zinc/78/36/97/358783697.db2.gz AOCHWBIBLZWYAM-IUODEOHRSA-N 0 3 247.338 2.290 10 0 BEAEHN Cc1ccc(O)c(CNCc2ccc(O)cc2)n1 ZINC000134333809 358787346 /nfs/dbraw/zinc/78/73/46/358787346.db2.gz ZBEIGWCJCGLINJ-UHFFFAOYSA-N 0 3 244.294 2.091 10 0 BEAEHN CCC[C@@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000177035843 134294083 /nfs/dbraw/zinc/29/40/83/134294083.db2.gz KMRGEGQVSRFYHO-CHWSQXEVSA-N 0 3 240.391 2.365 10 0 BEAEHN Cc1cccc([C@@H](C)NCC(=O)N2CCCC2)c1 ZINC000134798801 358806365 /nfs/dbraw/zinc/80/63/65/358806365.db2.gz HRRFWFPQCHZTLW-CYBMUJFWSA-N 0 3 246.354 2.268 10 0 BEAEHN C[C@@H]1CN[C@@H]([C@@H]2CCCSC2)SC1 ZINC000306150608 358872931 /nfs/dbraw/zinc/87/29/31/358872931.db2.gz DHEMKTQGVNWGFL-OPRDCNLKSA-N 0 3 217.403 2.428 10 0 BEAEHN Cc1cc([C@@H](N)[C@@H]2CCCS2)sn1 ZINC000306158836 358952187 /nfs/dbraw/zinc/95/21/87/358952187.db2.gz DNJCZBOLGBENPU-CBAPKCEASA-N 0 3 214.359 2.347 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1ccc(Br)cn1 ZINC000069938794 359036694 /nfs/dbraw/zinc/03/66/94/359036694.db2.gz OAULTFZNJXCAPY-XCBNKYQSSA-N 0 3 241.132 2.342 10 0 BEAEHN N[C@@H](c1ccsn1)[C@H]1CCCCS1 ZINC000306184749 359002820 /nfs/dbraw/zinc/00/28/20/359002820.db2.gz FBOIDNVUBFRSKC-BDAKNGLRSA-N 0 3 214.359 2.429 10 0 BEAEHN C[C@H]1CCN(Cc2cc[nH]c2)C[C@H]1n1ccnc1 ZINC000246435449 359084408 /nfs/dbraw/zinc/08/44/08/359084408.db2.gz NDKNSLMEBJESOY-GXTWGEPZSA-N 0 3 244.342 2.294 10 0 BEAEHN COCCOCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000246989686 359181406 /nfs/dbraw/zinc/18/14/06/359181406.db2.gz KEKHMIKTZIJABD-UKRRQHHQSA-N 0 3 249.354 2.342 10 0 BEAEHN CC[C@H](C)[C@H](C)N[C@H]1CCCn2ncnc21 ZINC000247129097 359196198 /nfs/dbraw/zinc/19/61/98/359196198.db2.gz QDGXPFUEQZJIPY-DCAQKATOSA-N 0 3 222.336 2.137 10 0 BEAEHN CC(C)[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246809482 359166315 /nfs/dbraw/zinc/16/63/15/359166315.db2.gz DGCQFKRURZBIBG-RWMBFGLXSA-N 0 3 240.391 2.123 10 0 BEAEHN CCC[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247286766 359209184 /nfs/dbraw/zinc/20/91/84/359209184.db2.gz KPNANEFQAQQMBJ-XQQFMLRXSA-N 0 3 240.391 2.268 10 0 BEAEHN Cc1cnn([C@@H]2CCCN(C[C@H]3CCCO3)C2)c1 ZINC000247372387 359216723 /nfs/dbraw/zinc/21/67/23/359216723.db2.gz UUFJOKAYXUBXFD-ZIAGYGMSSA-N 0 3 249.358 2.007 10 0 BEAEHN NCc1c(Br)cccc1N1CCC1 ZINC000306368677 359699092 /nfs/dbraw/zinc/69/90/92/359699092.db2.gz KPSHWJPFENPGKK-UHFFFAOYSA-N 0 3 241.132 2.118 10 0 BEAEHN CNC(C)(C)C(=O)c1ccc(C)c(C)c1 ZINC000169187672 359701090 /nfs/dbraw/zinc/70/10/90/359701090.db2.gz TVLKYQBKPCTHDP-UHFFFAOYSA-N 0 3 205.301 2.484 10 0 BEAEHN CC[C@H]1CCSC(N[C@H]2CCSC2)=N1 ZINC000231359896 359914992 /nfs/dbraw/zinc/91/49/92/359914992.db2.gz VSYYQRVZJXNFKU-IUCAKERBSA-N 0 3 230.402 2.353 10 0 BEAEHN CC[C@@H](C)CN(C)Cc1c(C)nn(C)c1OC ZINC000091796475 360130720 /nfs/dbraw/zinc/13/07/20/360130720.db2.gz DZHLATFNBNEIOG-SNVBAGLBSA-N 0 3 239.363 2.215 10 0 BEAEHN CC[C@H](C)CN[C@H]1CCCn2c(C)nnc21 ZINC000093079929 360215298 /nfs/dbraw/zinc/21/52/98/360215298.db2.gz UIZSFFBQYPWYGA-ONGXEEELSA-N 0 3 222.336 2.057 10 0 BEAEHN CC[C@@H]1C[C@]1(N)c1ncccc1Br ZINC000133348520 360283352 /nfs/dbraw/zinc/28/33/52/360283352.db2.gz NZSFFWIJHCSJKT-GMSGAONNSA-N 0 3 241.132 2.428 10 0 BEAEHN C[C@H](N)c1cncn1[C@@H](C)C(C)(F)F ZINC000306521579 360359723 /nfs/dbraw/zinc/35/97/23/360359723.db2.gz NHVYLSSMWSVWLY-BQBZGAKWSA-N 0 3 203.236 2.119 10 0 BEAEHN COc1cc(-c2ccc(CN)s2)sn1 ZINC000306543910 360413505 /nfs/dbraw/zinc/41/35/05/360413505.db2.gz TZHJCFNTOXCFGC-UHFFFAOYSA-N 0 3 226.326 2.339 10 0 BEAEHN CC[C@]1([C@H]2CCOC2)N[C@H](C)CCS1 ZINC000306545441 360414209 /nfs/dbraw/zinc/41/42/09/360414209.db2.gz VXDIKEWZBNMVPI-VWYCJHECSA-N 0 3 215.362 2.244 10 0 BEAEHN C[C@@H]1CCN(CC(=O)C(C)(C)C)CCS1 ZINC000306553198 360426413 /nfs/dbraw/zinc/42/64/13/360426413.db2.gz KXXUQSZSTRGXBN-SNVBAGLBSA-N 0 3 229.389 2.429 10 0 BEAEHN N[C@@H](C[C@H]1CCOC1)c1sccc1F ZINC000306586397 360484927 /nfs/dbraw/zinc/48/49/27/360484927.db2.gz RIFZWSMFKXXUSQ-APPZFPTMSA-N 0 3 215.293 2.314 10 0 BEAEHN COC[C@H](CC(C)C)NCc1ccccn1 ZINC000309478559 491149416 /nfs/dbraw/zinc/14/94/16/491149416.db2.gz SIHQYSGZOYCNJJ-ZDUSSCGKSA-N 0 3 222.332 2.232 10 0 BEAEHN Cc1ncc([C@H](C)N[C@@H]2CCC[C@H](O)C2)s1 ZINC000309549239 491151073 /nfs/dbraw/zinc/15/10/73/491151073.db2.gz HPPNCCRSBDAXGO-GDPRMGEGSA-N 0 3 240.372 2.406 10 0 BEAEHN Cc1ccc(CN2CCC[C@H]2CCCO)cn1 ZINC000153819282 360779417 /nfs/dbraw/zinc/77/94/17/360779417.db2.gz QMNQMCPMKFRRJT-AWEZNQCLSA-N 0 3 234.343 2.127 10 0 BEAEHN COc1cc(Cl)cc2c1OCC[C@@H]2N ZINC000238334358 360884295 /nfs/dbraw/zinc/88/42/95/360884295.db2.gz HYPCZPWEOVDYDI-QMMMGPOBSA-N 0 3 213.664 2.131 10 0 BEAEHN COc1cccc(CN)c1OC(F)(F)F ZINC000238370308 360950428 /nfs/dbraw/zinc/95/04/28/360950428.db2.gz XYOKZIPKEAUEOZ-UHFFFAOYSA-N 0 3 221.178 2.053 10 0 BEAEHN NC1(c2cc(F)cc(F)c2F)CCC1 ZINC000238561924 361153380 /nfs/dbraw/zinc/15/33/80/361153380.db2.gz DKOSTDSERLOJSX-UHFFFAOYSA-N 0 3 201.191 2.442 10 0 BEAEHN NCc1cc(Cl)ncc1OC(F)(F)F ZINC000238657933 361171728 /nfs/dbraw/zinc/17/17/28/361171728.db2.gz FMGIXRSEMCIFAH-UHFFFAOYSA-N 0 3 226.585 2.092 10 0 BEAEHN C[C@@](N)(c1nc2c(s1)CCC2)C1CC1 ZINC000041060152 361240954 /nfs/dbraw/zinc/24/09/54/361240954.db2.gz BCQJQAOGLBNGRY-NSHDSACASA-N 0 3 208.330 2.216 10 0 BEAEHN Cc1cnccc1-n1cc(Br)cn1 ZINC000070047716 361385763 /nfs/dbraw/zinc/38/57/63/361385763.db2.gz HCCZJHIDKMTSQO-UHFFFAOYSA-N 0 3 238.088 2.338 10 0 BEAEHN N=C1N[C@H](c2ccco2)Nc2ccccc21 ZINC000013493536 181338933 /nfs/dbraw/zinc/33/89/33/181338933.db2.gz RIOVUWRMOKFDQS-GFCCVEGCSA-N 0 3 213.240 2.109 10 0 BEAEHN CC(C)=CCN1CCN2CCCC[C@H]2C1 ZINC000248357014 364628914 /nfs/dbraw/zinc/62/89/14/364628914.db2.gz PAGXCEORVJFZDY-ZDUSSCGKSA-N 0 3 208.349 2.123 10 0 BEAEHN Cc1cc(CN2C[C@@H]3CCCCN3C[C@H]2C)on1 ZINC000252662501 364749804 /nfs/dbraw/zinc/74/98/04/364749804.db2.gz ZUDUXFXBBWLIJM-OLZOCXBDSA-N 0 3 249.358 2.042 10 0 BEAEHN CC(C)(O)CCN[C@@H]1CCc2c1cccc2O ZINC000296679347 364785732 /nfs/dbraw/zinc/78/57/32/364785732.db2.gz LGYWGXJESVZEBU-GFCCVEGCSA-N 0 3 235.327 2.130 10 0 BEAEHN OC1CC(CN[C@@H]2CCCc3occc32)C1 ZINC000169216715 365099552 /nfs/dbraw/zinc/09/95/52/365099552.db2.gz MGEHNEPRKWYHBS-RTYFJBAXSA-N 0 3 221.300 2.018 10 0 BEAEHN CC[C@@H](C)[C@H](C)NCc1nnc(C2CC2)n1C ZINC000183061937 366973052 /nfs/dbraw/zinc/97/30/52/366973052.db2.gz SHYNYFMHLUBDKX-ZJUUUORDSA-N 0 3 236.363 2.217 10 0 BEAEHN CCCNCc1nc(CN(C)C2CC2)cs1 ZINC000052445100 541514155 /nfs/dbraw/zinc/51/41/55/541514155.db2.gz PGGOBBNAVLLMOB-UHFFFAOYSA-N 0 3 239.388 2.237 10 0 BEAEHN Fc1ccccc1[C@@H]1C[C@H]1N[C@H]1CCOC1 ZINC000381621254 367440240 /nfs/dbraw/zinc/44/02/40/367440240.db2.gz ZSLRGICEVMNHOV-XHVZSJERSA-N 0 3 221.275 2.060 10 0 BEAEHN CCc1nc(C)c(CNC[C@H](O)C(C)(C)C)o1 ZINC000383020449 367586684 /nfs/dbraw/zinc/58/66/84/367586684.db2.gz QONZQEQNMFGXGT-NSHDSACASA-N 0 3 240.347 2.042 10 0 BEAEHN Cc1cc(F)ccc1CN1CCC[C@H](O)[C@H]1C ZINC000385107648 367792922 /nfs/dbraw/zinc/79/29/22/367792922.db2.gz CJWNWCGHJUHALP-RISCZKNCSA-N 0 3 237.318 2.479 10 0 BEAEHN CN1CCC([C@@H](O)c2cccc(Cl)n2)CC1 ZINC000034433961 368369447 /nfs/dbraw/zinc/36/94/47/368369447.db2.gz KOXYPGOLNFBYMN-GFCCVEGCSA-N 0 3 240.734 2.110 10 0 BEAEHN COC(=O)[C@H](CN1CCCCC1)c1ccccc1 ZINC000080952938 368561106 /nfs/dbraw/zinc/56/11/06/368561106.db2.gz WNLVEFFEQSFPIB-CQSZACIVSA-N 0 3 247.338 2.429 10 0 BEAEHN CN(C)C(C)(C)COc1ccc(C=O)cc1 ZINC000113342934 368890543 /nfs/dbraw/zinc/89/05/43/368890543.db2.gz IEEZLDRLQDHOEE-UHFFFAOYSA-N 0 3 221.300 2.218 10 0 BEAEHN N[C@@]1(c2cccc(Br)c2)CCOC1 ZINC000105638710 369060647 /nfs/dbraw/zinc/06/06/47/369060647.db2.gz XLHVFJWPJVTGMG-JTQLQIEISA-N 0 3 242.116 2.023 10 0 BEAEHN Cc1cc(CN2CCC[C@H]2CCCO)ccn1 ZINC000621254257 370186270 /nfs/dbraw/zinc/18/62/70/370186270.db2.gz NOWKIRXMNPNAGT-AWEZNQCLSA-N 0 3 234.343 2.127 10 0 BEAEHN COc1cc(N)ccc1C1CCN(C)CC1 ZINC000113477507 370415622 /nfs/dbraw/zinc/41/56/22/370415622.db2.gz UEJUZUHEZCJWQJ-UHFFFAOYSA-N 0 3 220.316 2.087 10 0 BEAEHN C[C@@H]1C[C@H]1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000255373559 370507298 /nfs/dbraw/zinc/50/72/98/370507298.db2.gz INLSVMPZQMNKLL-MRVWCRGKSA-N 0 3 246.354 2.062 10 0 BEAEHN C[C@@H](N)c1cnc(-c2nccs2)s1 ZINC000161602315 370567601 /nfs/dbraw/zinc/56/76/01/370567601.db2.gz CXIICBKPSUNCDI-RXMQYKEDSA-N 0 3 211.315 2.286 10 0 BEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccccc2)C1 ZINC000092052820 371078098 /nfs/dbraw/zinc/07/80/98/371078098.db2.gz NDKHNGAJTAXILL-UKRRQHHQSA-N 0 3 248.370 2.058 10 0 BEAEHN Cc1csc([C@H](C)N[C@H]2CCC[C@H](O)C2)n1 ZINC000623871538 371135664 /nfs/dbraw/zinc/13/56/64/371135664.db2.gz HGPIQNRNQQCWJI-DCAQKATOSA-N 0 3 240.372 2.406 10 0 BEAEHN N[C@@H](c1cccc(F)c1)c1cncc(F)c1 ZINC000049576153 181564195 /nfs/dbraw/zinc/56/41/95/181564195.db2.gz DDVOKZICNQVHJZ-LBPRGKRZSA-N 0 3 220.222 2.408 10 0 BEAEHN N[C@H](c1ccoc1)c1ccc2[nH]c(=O)oc2c1 ZINC000035381900 181635453 /nfs/dbraw/zinc/63/54/53/181635453.db2.gz NTHQBERDZYFHMT-NSHDSACASA-N 0 3 230.223 2.175 10 0 BEAEHN N[C@H]1c2c(Cl)cc(Cl)cc2CC[C@H]1O ZINC000039941509 181660947 /nfs/dbraw/zinc/66/09/47/181660947.db2.gz QASZXAAVJFJJSX-PSASIEDQSA-N 0 3 232.110 2.300 10 0 BEAEHN Cc1ccc(CNC[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000631080572 371496827 /nfs/dbraw/zinc/49/68/27/371496827.db2.gz ZTWFSPPRTPCFAY-JSGCOSHPSA-N 0 3 237.318 2.385 10 0 BEAEHN F[C@H]([C@H]1CCCN1)C(F)(F)Br ZINC000225685658 371565613 /nfs/dbraw/zinc/56/56/13/371565613.db2.gz NDXYGLSYEZVOCJ-RFZPGFLSSA-N 0 3 232.043 2.064 10 0 BEAEHN Cc1sccc1[C@H](N)[C@H]1CSCCO1 ZINC000227798816 371939932 /nfs/dbraw/zinc/93/99/32/371939932.db2.gz COIXJCCHQBVZLW-ZJUUUORDSA-N 0 3 229.370 2.188 10 0 BEAEHN Cc1sccc1[C@H](N)C(C)(C)N(C)C ZINC000227795116 371939960 /nfs/dbraw/zinc/93/99/60/371939960.db2.gz NVKJAXJTORGZGL-JTQLQIEISA-N 0 3 212.362 2.397 10 0 BEAEHN CCCCN(Cc1ccc(C)cc1C)C(=O)CN ZINC000076634845 168820716 /nfs/dbraw/zinc/82/07/16/168820716.db2.gz QZQIPJFANFOVOC-UHFFFAOYSA-N 0 3 248.370 2.391 10 0 BEAEHN CC[C@H]1C[C@]1(N)c1ccc(Br)cn1 ZINC000133350368 372028465 /nfs/dbraw/zinc/02/84/65/372028465.db2.gz YJKWBIDIDHFNNE-OIBJUYFYSA-N 0 3 241.132 2.428 10 0 BEAEHN CCN[C@]1(c2nccs2)CC[C@H]2C[C@H]21 ZINC000306822309 372071153 /nfs/dbraw/zinc/07/11/53/372071153.db2.gz NBFKNZGSLIHHQQ-IQJOONFLSA-N 0 3 208.330 2.378 10 0 BEAEHN NCc1cccc(COCc2ccccc2)n1 ZINC000228757386 372077305 /nfs/dbraw/zinc/07/73/05/372077305.db2.gz PMQXHTGCLSAQDJ-UHFFFAOYSA-N 0 3 228.295 2.257 10 0 BEAEHN C[C@@H](N)c1csc(C2CCOCC2)n1 ZINC000070842540 374203073 /nfs/dbraw/zinc/20/30/73/374203073.db2.gz UINLNYZPEZPSRC-SSDOTTSWSA-N 0 3 212.318 2.057 10 0 BEAEHN C[C@@H](N)c1csc(N2CC[C@H](C)C2)n1 ZINC000070845784 374204412 /nfs/dbraw/zinc/20/44/12/374204412.db2.gz BGXWEWPXKDWAIS-JGVFFNPUSA-N 0 3 211.334 2.009 10 0 BEAEHN C(NC1=NC[C@H](C2CC2)S1)C1CCC1 ZINC000070887691 374224735 /nfs/dbraw/zinc/22/47/35/374224735.db2.gz KKYPXXGSNDBRBN-SNVBAGLBSA-N 0 3 210.346 2.258 10 0 BEAEHN CCOC(=O)[C@@H](C)N1CCCCC[C@@H]1C ZINC000005664815 170246686 /nfs/dbraw/zinc/24/66/86/170246686.db2.gz KGURDCFEXZQRQY-WDEREUQCSA-N 0 3 213.321 2.203 10 0 BEAEHN OC1(C2CC2)CN(CCC2CCCC2)C1 ZINC000300717007 183015132 /nfs/dbraw/zinc/01/51/32/183015132.db2.gz JSKGYFDWFLGBRY-UHFFFAOYSA-N 0 3 209.333 2.023 10 0 BEAEHN OCCCCN1CCC(c2nccs2)CC1 ZINC000371531807 183049417 /nfs/dbraw/zinc/04/94/17/183049417.db2.gz JLQZZRRDRREEJO-UHFFFAOYSA-N 0 3 240.372 2.095 10 0 BEAEHN OC[C@@H]1CCCCN(Cc2cccc(F)c2)C1 ZINC000374052562 183115953 /nfs/dbraw/zinc/11/59/53/183115953.db2.gz VQWGKOFUQSAILT-CYBMUJFWSA-N 0 3 237.318 2.420 10 0 BEAEHN CCCC[C@H](N)C(=O)Nc1cccc2n[nH]cc21 ZINC000037769603 169007572 /nfs/dbraw/zinc/00/75/72/169007572.db2.gz UFMGQEQBHOBLPF-JTQLQIEISA-N 0 3 246.314 2.019 10 0 BEAEHN CCCCc1ccc([C@@H](CO)NC)cc1 ZINC000071510674 169021898 /nfs/dbraw/zinc/02/18/98/169021898.db2.gz ZHTTUKMTIPQXMG-CYBMUJFWSA-N 0 3 207.317 2.282 10 0 BEAEHN OC[C@H]1CCCCN(CCC(F)(F)F)C1 ZINC000363354760 183147191 /nfs/dbraw/zinc/14/71/91/183147191.db2.gz DOFFDBPYRCYQNE-VIFPVBQESA-N 0 3 225.254 2.033 10 0 BEAEHN OC[C@H]1CCCC[C@@H]1NCc1ccccc1F ZINC000219011626 183147970 /nfs/dbraw/zinc/14/79/70/183147970.db2.gz IDDOLDGPUGJXJA-OCCSQVGLSA-N 0 3 237.318 2.466 10 0 BEAEHN CCCCn1nc(C)c(CNCCOC)c1C ZINC000054717636 169038058 /nfs/dbraw/zinc/03/80/58/169038058.db2.gz WTHGHRFPWZRYJL-UHFFFAOYSA-N 0 3 239.363 2.036 10 0 BEAEHN CCCN(C(=O)[C@@H]1CCC[C@@H](C)N1)C(C)C ZINC000037096443 169045036 /nfs/dbraw/zinc/04/50/36/169045036.db2.gz BQOWKQABNGKELA-NEPJUHHUSA-N 0 3 226.364 2.164 10 0 BEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccccc1F ZINC000084228495 183194852 /nfs/dbraw/zinc/19/48/52/183194852.db2.gz LVLGNZXDOOKWPR-DGCLKSJQSA-N 0 3 223.291 2.076 10 0 BEAEHN O[C@H](CCN1CCCC1)c1cccs1 ZINC000041149359 183219024 /nfs/dbraw/zinc/21/90/24/183219024.db2.gz IWPXIPAQJIXCDX-SNVBAGLBSA-N 0 3 211.330 2.267 10 0 BEAEHN O[C@H]1CCCC[C@@H]1N1CCc2cccc(F)c2C1 ZINC000157955018 183231877 /nfs/dbraw/zinc/23/18/77/183231877.db2.gz AJBLDZCLBXEJJM-GJZGRUSLSA-N 0 3 249.329 2.487 10 0 BEAEHN O[C@H]1CCCC[C@H]1CNCc1ccccc1F ZINC000077204105 183232350 /nfs/dbraw/zinc/23/23/50/183232350.db2.gz XPTJXJABNOQGLP-JSGCOSHPSA-N 0 3 237.318 2.466 10 0 BEAEHN O[C@H]1CCCC[C@H]1NCc1cccc(F)c1 ZINC000037691362 183233899 /nfs/dbraw/zinc/23/38/99/183233899.db2.gz PBICIJKIWIAPQY-OLZOCXBDSA-N 0 3 223.291 2.219 10 0 BEAEHN CCCN(CC)[C@@H](C)C(=O)Nc1cccc(N)c1 ZINC000037094463 169132614 /nfs/dbraw/zinc/13/26/14/169132614.db2.gz QSDIZJTYOPFVNG-NSHDSACASA-N 0 3 249.358 2.328 10 0 BEAEHN CCCN(CC)c1nc2ccccn2c1CN ZINC000035449204 169133221 /nfs/dbraw/zinc/13/32/21/169133221.db2.gz WXVPQQZWMJDYMI-UHFFFAOYSA-N 0 3 232.331 2.029 10 0 BEAEHN CCCN(CCC)[C@H](CN)c1ccccn1 ZINC000019279628 169151972 /nfs/dbraw/zinc/15/19/72/169151972.db2.gz BJHHMOPZESIFOB-CYBMUJFWSA-N 0 3 221.348 2.203 10 0 BEAEHN CCCN(CCC)CC(=O)Nc1ccccc1N ZINC000022155763 169147079 /nfs/dbraw/zinc/14/70/79/169147079.db2.gz GKPRZSDHIAUBBW-UHFFFAOYSA-N 0 3 249.358 2.329 10 0 BEAEHN CCCN(CCNCc1ccccn1)C1CC1 ZINC000053378163 169159266 /nfs/dbraw/zinc/15/92/66/169159266.db2.gz JODCCFMGHYYGKG-UHFFFAOYSA-N 0 3 233.359 2.046 10 0 BEAEHN Oc1cccc2c1CC[C@@H]2NC[C@@H]1CCCO1 ZINC000036852171 183295783 /nfs/dbraw/zinc/29/57/83/183295783.db2.gz HOMOBSPFRSPMOS-GWCFXTLKSA-N 0 3 233.311 2.148 10 0 BEAEHN CCCN1CCC(NC)(c2nccs2)CC1 ZINC000041060313 169188409 /nfs/dbraw/zinc/18/84/09/169188409.db2.gz SRCLUROFQVMAOF-UHFFFAOYSA-N 0 3 239.388 2.064 10 0 BEAEHN CCCN1CCCN(c2nc(C)cnc2C)CC1 ZINC000170079767 169192574 /nfs/dbraw/zinc/19/25/74/169192574.db2.gz JYTGEWCBGAVNRZ-UHFFFAOYSA-N 0 3 248.374 2.016 10 0 BEAEHN c1cc(CCNC2=NC[C@@H](C3CC3)S2)ccn1 ZINC000071307303 183337600 /nfs/dbraw/zinc/33/76/00/183337600.db2.gz CTZCNNPKAXVBFS-LBPRGKRZSA-N 0 3 247.367 2.095 10 0 BEAEHN CCCNC1(c2nccs2)CCOCC1 ZINC000041061298 169254988 /nfs/dbraw/zinc/25/49/88/169254988.db2.gz ATZXCFVHJJVQKU-UHFFFAOYSA-N 0 3 226.345 2.148 10 0 BEAEHN c1cc2c(c(CN3CCSCC3)c1)NCC2 ZINC000130475515 183365794 /nfs/dbraw/zinc/36/57/94/183365794.db2.gz RKHGEOISLVPYKC-UHFFFAOYSA-N 0 3 234.368 2.203 10 0 BEAEHN c1cc2c(cc1CNC1CC1)OCCCO2 ZINC000037674747 183368038 /nfs/dbraw/zinc/36/80/38/183368038.db2.gz CFKJOOZMISALCE-UHFFFAOYSA-N 0 3 219.284 2.100 10 0 BEAEHN CCCN[C@H](C[C@@H]1CCCO1)c1cncnc1 ZINC000052887144 169289325 /nfs/dbraw/zinc/28/93/25/169289325.db2.gz MQWQYOYANPJBDV-QWHCGFSZSA-N 0 3 235.331 2.086 10 0 BEAEHN CCCN[C@H](c1ccc(C)o1)[C@@H]1COCCO1 ZINC000055301196 169289670 /nfs/dbraw/zinc/28/96/70/169289670.db2.gz LFXRCIRQDGFWAU-QWHCGFSZSA-N 0 3 239.315 2.044 10 0 BEAEHN CCCN[C@H](Cc1cccnc1)c1cncnc1 ZINC000053132173 169289994 /nfs/dbraw/zinc/28/99/94/169289994.db2.gz QVGNACHXJUJXSR-CQSZACIVSA-N 0 3 242.326 2.155 10 0 BEAEHN CCCNCc1cc(C)nc(N(CC)CC)n1 ZINC000054831359 169265986 /nfs/dbraw/zinc/26/59/86/169265986.db2.gz BOSIFUNOZFRCDA-UHFFFAOYSA-N 0 3 236.363 2.131 10 0 BEAEHN CCCNCc1ccc(N2CCC[C@@H]2CC)nn1 ZINC000051398716 169266534 /nfs/dbraw/zinc/26/65/34/169266534.db2.gz OXMDPQSAWOPGCX-ZDUSSCGKSA-N 0 3 248.374 2.355 10 0 BEAEHN c1nc2c([nH]1)[C@@H](CCc1ccccc1)NCC2 ZINC000065406393 183395027 /nfs/dbraw/zinc/39/50/27/183395027.db2.gz PQJZTJQBRRCCRW-GFCCVEGCSA-N 0 3 227.311 2.229 10 0 BEAEHN CCCNCc1nc2c(s1)CSCC2 ZINC000053294914 169269003 /nfs/dbraw/zinc/26/90/03/169269003.db2.gz HTDMCHUCNXLBAT-UHFFFAOYSA-N 0 3 228.386 2.432 10 0 BEAEHN CCCN[C@@H](CC1CCOCC1)c1cnccn1 ZINC000053828892 169277731 /nfs/dbraw/zinc/27/77/31/169277731.db2.gz CLNWTFHKUKSNFT-ZDUSSCGKSA-N 0 3 249.358 2.334 10 0 BEAEHN CCCN[C@@H]1CCN(c2ccccc2CC)C1=O ZINC000049647629 169282810 /nfs/dbraw/zinc/28/28/10/169282810.db2.gz BECKOOXJKMFYCF-CYBMUJFWSA-N 0 3 246.354 2.354 10 0 BEAEHN CCCOc1ccc(-c2c[nH]c(N)n2)cc1 ZINC000071520071 169316159 /nfs/dbraw/zinc/31/61/59/169316159.db2.gz HKYDMCGAQZYHFH-UHFFFAOYSA-N 0 3 217.272 2.448 10 0 BEAEHN CCCOc1ccc(C(=O)[C@@H](C)NC)cc1 ZINC000041610349 169316888 /nfs/dbraw/zinc/31/68/88/169316888.db2.gz IDJVWUDZACURCL-SNVBAGLBSA-N 0 3 221.300 2.266 10 0 BEAEHN CCCN[C@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654455 169292182 /nfs/dbraw/zinc/29/21/82/169292182.db2.gz KMPNWKRHMZIPBH-JTQLQIEISA-N 0 3 235.283 2.239 10 0 BEAEHN CCCOc1ccc([C@@H](O)CCN(C)C)cc1 ZINC000041145963 169321860 /nfs/dbraw/zinc/32/18/60/169321860.db2.gz SXABRNRUEXPCLH-AWEZNQCLSA-N 0 3 237.343 2.461 10 0 BEAEHN CCCOc1ccc2c(c1)[C@H](NC)CO2 ZINC000035654160 169322883 /nfs/dbraw/zinc/32/28/83/169322883.db2.gz SVAXEUPJAMQWHV-LLVKDONJSA-N 0 3 207.273 2.128 10 0 BEAEHN CCCOc1cccc(CNC2(CO)CC2)c1 ZINC000120398666 169325300 /nfs/dbraw/zinc/32/53/00/169325300.db2.gz PDSGBBOSBOWMSP-UHFFFAOYSA-N 0 3 235.327 2.090 10 0 BEAEHN CCCOc1ccccc1CN[C@@H](CC)CO ZINC000020924384 169326774 /nfs/dbraw/zinc/32/67/74/169326774.db2.gz CLIGPYGGHLXFOY-ZDUSSCGKSA-N 0 3 237.343 2.336 10 0 BEAEHN CCCOc1nc(CN)cc2ccccc21 ZINC000051543700 169327990 /nfs/dbraw/zinc/32/79/90/169327990.db2.gz XBOHWOHWEMGCRH-UHFFFAOYSA-N 0 3 216.284 2.482 10 0 BEAEHN CCC[C@@H](N)C(=O)N(C)[C@@H](C)CC(C)C ZINC000037807330 169387182 /nfs/dbraw/zinc/38/71/82/169387182.db2.gz WYAHNZWIXDYMGM-WDEREUQCSA-N 0 3 214.353 2.007 10 0 BEAEHN c1cc(CCNCc2cccnc2)cs1 ZINC000042249137 183495156 /nfs/dbraw/zinc/49/51/56/183495156.db2.gz UOQGMEYZDMKOQA-UHFFFAOYSA-N 0 3 218.325 2.475 10 0 BEAEHN CCC[C@@H](N)C(=O)NCCC1=CCCCC1 ZINC000036873247 169389699 /nfs/dbraw/zinc/38/96/99/169389699.db2.gz GPGFWSCBTPHCBG-GFCCVEGCSA-N 0 3 224.348 2.121 10 0 BEAEHN CCC[C@H](N)c1cnc2cccc(C)n21 ZINC000031911331 169505795 /nfs/dbraw/zinc/50/57/95/169505795.db2.gz LYSSSLIWPACKKS-JTQLQIEISA-N 0 3 203.289 2.443 10 0 BEAEHN CCN(CCN(C)C)c1cccc(C)c1 ZINC000002243591 169837707 /nfs/dbraw/zinc/83/77/07/169837707.db2.gz PFIBWRMTMDDALJ-UHFFFAOYSA-N 0 3 206.333 2.383 10 0 BEAEHN CCCc1nc(CCOC)sc1CNC ZINC000082426796 169587839 /nfs/dbraw/zinc/58/78/39/169587839.db2.gz ORQYCMURTISJRV-UHFFFAOYSA-N 0 3 228.361 2.004 10 0 BEAEHN CC(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000001594079 383910205 /nfs/dbraw/zinc/91/02/05/383910205.db2.gz MKHCEQBLJLARIA-UHFFFAOYSA-N 0 3 217.312 2.239 10 0 BEAEHN CCOCCNCc1cc(C)c(O)c(C)c1 ZINC000036229223 383889195 /nfs/dbraw/zinc/88/91/95/383889195.db2.gz KSNJHJJTPOTDCZ-UHFFFAOYSA-N 0 3 223.316 2.135 10 0 BEAEHN N[C@@H](COC(F)(F)F)c1ccccc1F ZINC000068576541 383999689 /nfs/dbraw/zinc/99/96/89/383999689.db2.gz YQQFVVLWMGMLDD-QMMMGPOBSA-N 0 3 223.169 2.362 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NC[C@H]1CCC=CO1 ZINC000070528346 384116879 /nfs/dbraw/zinc/11/68/79/384116879.db2.gz PQBZICJNCKEXGM-DGCLKSJQSA-N 0 3 231.295 2.402 10 0 BEAEHN N[C@H]1CCOc2cc(F)c(Br)cc21 ZINC000116924317 384160898 /nfs/dbraw/zinc/16/08/98/384160898.db2.gz SBMBPLQOIUUGJK-QMMMGPOBSA-N 0 3 246.079 2.371 10 0 BEAEHN Clc1ccc(C2=NCCN2)c(Cl)c1 ZINC000040976675 384171245 /nfs/dbraw/zinc/17/12/45/384171245.db2.gz DSQMJENLNWSEMO-UHFFFAOYSA-N 0 3 215.083 2.343 10 0 in-vivo BEAEHN CCCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000082725342 384260410 /nfs/dbraw/zinc/26/04/10/384260410.db2.gz AGEKQSOBLQJZEL-STQMWFEESA-N 0 3 210.365 2.345 10 0 BEAEHN CCC[C@H](C(=O)N1CCC[C@@H](C)CC1)N(C)C ZINC000179700044 384336025 /nfs/dbraw/zinc/33/60/25/384336025.db2.gz GSQHHVOVLJWHCE-CHWSQXEVSA-N 0 3 240.391 2.365 10 0 BEAEHN C[C@@H]1OCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000134244441 384343769 /nfs/dbraw/zinc/34/37/69/384343769.db2.gz OODLEELZDBEJMN-WRWORJQWSA-N 0 3 245.244 2.371 10 0 BEAEHN CC(C)c1ccc(CNC2(CO)CC2)cc1 ZINC000120367077 384349618 /nfs/dbraw/zinc/34/96/18/384349618.db2.gz LWAIDNJFXUAAOW-UHFFFAOYSA-N 0 3 219.328 2.425 10 0 BEAEHN NCc1ccnc(Cl)c1C(F)(F)F ZINC000095768430 384394728 /nfs/dbraw/zinc/39/47/28/384394728.db2.gz XUQLFULWVIGOQP-UHFFFAOYSA-N 0 3 210.586 2.213 10 0 BEAEHN CC(=O)CCN(C)[C@H](C)c1cccc(O)c1 ZINC000121285317 384408918 /nfs/dbraw/zinc/40/89/18/384408918.db2.gz DMPPCQBRVBFLNM-LLVKDONJSA-N 0 3 221.300 2.364 10 0 BEAEHN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCCC1 ZINC000048419027 384489756 /nfs/dbraw/zinc/48/97/56/384489756.db2.gz NSYHBMRVQMRYRE-QWHCGFSZSA-N 0 3 246.354 2.348 10 0 BEAEHN CC[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000097044663 384491014 /nfs/dbraw/zinc/49/10/14/384491014.db2.gz AYMTYFLCEWPTPS-TZMCWYRMSA-N 0 3 248.370 2.452 10 0 BEAEHN Cc1c(CN[C@H]2CC23CCCC3)cnn1C ZINC000335868491 384531715 /nfs/dbraw/zinc/53/17/15/384531715.db2.gz PZIRHANQGCWPPA-LBPRGKRZSA-N 0 3 219.332 2.151 10 0 BEAEHN Cc1ccc(N(C)C(=O)[C@@H]2CCC[C@H](C)N2)cc1 ZINC000050009554 384581926 /nfs/dbraw/zinc/58/19/26/384581926.db2.gz QAXBDFINRNMSHK-JSGCOSHPSA-N 0 3 246.354 2.488 10 0 BEAEHN Cc1ccc(N(C)C(=O)[C@H]2CCC[C@@H](C)N2)cc1 ZINC000050009559 384582179 /nfs/dbraw/zinc/58/21/79/384582179.db2.gz QAXBDFINRNMSHK-TZMCWYRMSA-N 0 3 246.354 2.488 10 0 BEAEHN CN(C)CCNc1ccc2ccccc2n1 ZINC000021518435 384564981 /nfs/dbraw/zinc/56/49/81/384564981.db2.gz FSCKKQPHNYTTGE-UHFFFAOYSA-N 0 3 215.300 2.208 10 0 BEAEHN CCc1ccc([C@H](C)N[C@H]2CCCNC2=O)cc1 ZINC000050393729 384622014 /nfs/dbraw/zinc/62/20/14/384622014.db2.gz IUWSHCKIAABVDD-FZMZJTMJSA-N 0 3 246.354 2.178 10 0 BEAEHN CCc1ccc([C@@H](N)Cn2cccn2)cc1 ZINC000011849730 384622203 /nfs/dbraw/zinc/62/22/03/384622203.db2.gz PZLLQEOJMNVRRB-ZDUSSCGKSA-N 0 3 215.300 2.146 10 0 BEAEHN Cc1cnn(CCN[C@@H](C)c2cncc(C)c2)c1 ZINC000184394945 384599446 /nfs/dbraw/zinc/59/94/46/384599446.db2.gz MMHGCZGEVCFYGG-ZDUSSCGKSA-N 0 3 244.342 2.246 10 0 BEAEHN C[C@H]1Oc2c(cc(F)cc2Cl)[C@H]1N ZINC000043635485 384724719 /nfs/dbraw/zinc/72/47/19/384724719.db2.gz HHIWXEYYJQJZBP-VHWMUFPASA-N 0 3 201.628 2.260 10 0 BEAEHN CCN(C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000101566767 384679339 /nfs/dbraw/zinc/67/93/39/384679339.db2.gz GAUOTFRFLCQEFM-UHFFFAOYSA-N 0 3 232.331 2.464 10 0 BEAEHN CO[C@H](CN)c1ccc(Br)s1 ZINC000043263647 384690555 /nfs/dbraw/zinc/69/05/55/384690555.db2.gz RXTSBKWPRHEUTI-RXMQYKEDSA-N 0 3 236.134 2.157 10 0 BEAEHN Cc1ccc(CN(C)C[C@H]2CCOC2)o1 ZINC000047706485 384693023 /nfs/dbraw/zinc/69/30/23/384693023.db2.gz MLWNFXUHNSLSJU-LLVKDONJSA-N 0 3 209.289 2.056 10 0 BEAEHN C[C@@H]1Oc2c(cccc2Br)[C@@H]1N ZINC000043634681 384718842 /nfs/dbraw/zinc/71/88/42/384718842.db2.gz HLPWSUNIMSZLKN-YLWLKBPMSA-N 0 3 228.089 2.230 10 0 BEAEHN CN[C@H]1c2cc(Br)ccc2O[C@H]1C ZINC000043635078 384719977 /nfs/dbraw/zinc/71/99/77/384719977.db2.gz UMQWKRFDGMCMJB-QUBYGPBYSA-N 0 3 242.116 2.491 10 0 BEAEHN CCC[C@H]1C[C@H]1NCc1cnc(C)n1C ZINC000568273313 384743953 /nfs/dbraw/zinc/74/39/53/384743953.db2.gz QSHGXNQSTBNIQQ-CMPLNLGQSA-N 0 3 207.321 2.007 10 0 BEAEHN C[C@@H](NC[C@H](C)CO)c1ccc(F)c(F)c1 ZINC000083218364 384750890 /nfs/dbraw/zinc/75/08/90/384750890.db2.gz WIOTVJOXOPQTNT-DTWKUNHWSA-N 0 3 229.270 2.244 10 0 BEAEHN CCC[C@H]1C[C@@H]1NCc1cn(C)nc1C ZINC000126274560 384757667 /nfs/dbraw/zinc/75/76/67/384757667.db2.gz PVXFESUJZOGPDL-JQWIXIFHSA-N 0 3 207.321 2.007 10 0 BEAEHN CN[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000055421484 384884025 /nfs/dbraw/zinc/88/40/25/384884025.db2.gz VSOUHPQMJMFVJV-JTQLQIEISA-N 0 3 228.295 2.386 10 0 BEAEHN CCc1ccc(CNC[C@H]2CCC[C@H]2O)o1 ZINC000084225642 384850090 /nfs/dbraw/zinc/85/00/90/384850090.db2.gz DOVPHHBKZPZAAS-ZWNOBZJWSA-N 0 3 223.316 2.093 10 0 BEAEHN CC(C)(C)SCCN1CCN2CCC[C@H]2C1 ZINC000370507002 384973329 /nfs/dbraw/zinc/97/33/29/384973329.db2.gz HQDMAUNFGDHIHP-LBPRGKRZSA-N 0 3 242.432 2.298 10 0 BEAEHN NCc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000019399008 384998045 /nfs/dbraw/zinc/99/80/45/384998045.db2.gz YHXKROYHMAJWRB-UHFFFAOYSA-N 0 3 240.306 2.327 10 0 BEAEHN CC(C)(C)NCC(=O)Nc1cc(F)ccc1F ZINC000057831128 384964416 /nfs/dbraw/zinc/96/44/16/384964416.db2.gz VNWDZVLGZHJFDB-UHFFFAOYSA-N 0 3 242.269 2.291 10 0 BEAEHN F[C@]1(c2occc2Br)CCNC1 ZINC000156420433 385054042 /nfs/dbraw/zinc/05/40/42/385054042.db2.gz DXSRVBJNRAJQPK-MRVPVSSYSA-N 0 3 234.068 2.200 10 0 BEAEHN COc1cc(Br)ccc1[C@@H](C)N ZINC000060176221 385069829 /nfs/dbraw/zinc/06/98/29/385069829.db2.gz YNTNFAMPGFYIOW-ZCFIWIBFSA-N 0 3 230.105 2.477 10 0 BEAEHN CC[C@H](NCc1nccn1CC)C(C)C ZINC000051924131 385074614 /nfs/dbraw/zinc/07/46/14/385074614.db2.gz QSVQZZWQMBFCRE-NSHDSACASA-N 0 3 209.337 2.427 10 0 BEAEHN Cc1cc(Br)cc2nc(CN)[nH]c21 ZINC000062152754 385075567 /nfs/dbraw/zinc/07/55/67/385075567.db2.gz GRIIBKHMMWMTLO-UHFFFAOYSA-N 0 3 240.104 2.093 10 0 BEAEHN Cc1cc(Br)cc2[nH]c(CN)nc21 ZINC000062152754 385075576 /nfs/dbraw/zinc/07/55/76/385075576.db2.gz GRIIBKHMMWMTLO-UHFFFAOYSA-N 0 3 240.104 2.093 10 0 BEAEHN C[C@H](NC[C@H]1CCC[C@@H]1O)c1cncc(F)c1 ZINC000129241345 385125749 /nfs/dbraw/zinc/12/57/49/385125749.db2.gz BYWDKQONGMCVIE-CWSCBRNRSA-N 0 3 238.306 2.032 10 0 BEAEHN CC[C@H](NC[C@](C)(O)CC)c1nccs1 ZINC000119381198 385094202 /nfs/dbraw/zinc/09/42/02/385094202.db2.gz SRHJCFDFXIBYGV-GXSJLCMTSA-N 0 3 228.361 2.345 10 0 BEAEHN Cc1ccc([C@H](C)N[C@@H]2CCO[C@@H]2C)o1 ZINC000119875104 385175215 /nfs/dbraw/zinc/17/52/15/385175215.db2.gz MFRQYIAOTVKKAT-HBNTYKKESA-N 0 3 209.289 2.416 10 0 BEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCO[C@@H]2C)o1 ZINC000119874938 385175801 /nfs/dbraw/zinc/17/58/01/385175801.db2.gz MFRQYIAOTVKKAT-GMTAPVOTSA-N 0 3 209.289 2.416 10 0 BEAEHN CCCC(CCC)C(=O)NC[C@@H]1CCCN1C ZINC000119777644 385220845 /nfs/dbraw/zinc/22/08/45/385220845.db2.gz CZCJQNZKXXDCNG-ZDUSSCGKSA-N 0 3 240.391 2.413 10 0 BEAEHN NCc1ccc(-c2cccnc2)cc1F ZINC000038069889 385311592 /nfs/dbraw/zinc/31/15/92/385311592.db2.gz YJWZMHBVNFMOBN-UHFFFAOYSA-N 0 3 202.232 2.346 10 0 BEAEHN c1ccc2c(c1)OC[C@H]2NCC[C@@H]1CCOC1 ZINC000346870257 385266594 /nfs/dbraw/zinc/26/65/94/385266594.db2.gz LSTFSQFRCQWWDB-DGCLKSJQSA-N 0 3 233.311 2.136 10 0 BEAEHN CC[C@](C)(O)CN(C)Cc1cccc(OC)c1 ZINC000168032452 385346401 /nfs/dbraw/zinc/34/64/01/385346401.db2.gz QXHNVUYPDPZKTQ-AWEZNQCLSA-N 0 3 237.343 2.288 10 0 BEAEHN NC[C@H](F)c1cscc1Br ZINC000156357616 385447499 /nfs/dbraw/zinc/44/74/99/385447499.db2.gz HWDOZQZJZNVORA-LURJTMIESA-N 0 3 224.098 2.480 10 0 BEAEHN Nc1c(F)cccc1CNCC[C@@H]1CCCO1 ZINC000156368406 385448524 /nfs/dbraw/zinc/44/85/24/385448524.db2.gz SFNOGWJSBWDYFG-NSHDSACASA-N 0 3 238.306 2.067 10 0 BEAEHN Cc1ccccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171067973 385466043 /nfs/dbraw/zinc/46/60/43/385466043.db2.gz BQLQIESFYGGYRB-GFCCVEGCSA-N 0 3 247.342 2.163 10 0 BEAEHN C[C@@H](NCc1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000183091163 385508548 /nfs/dbraw/zinc/50/85/48/385508548.db2.gz LDKYWNIUPGJVSI-KOLCDFICSA-N 0 3 240.734 2.392 10 0 BEAEHN C[C@@H](NCc1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000183091196 385508732 /nfs/dbraw/zinc/50/87/32/385508732.db2.gz LDKYWNIUPGJVSI-MWLCHTKSSA-N 0 3 240.734 2.392 10 0 BEAEHN COC(=O)[C@H]1CCCCCC[C@@H]1NCCF ZINC000309414996 385575145 /nfs/dbraw/zinc/57/51/45/385575145.db2.gz CLPBUAYLJOBTBS-QWRGUYRKSA-N 0 3 231.311 2.058 10 0 BEAEHN COC(=O)[C@@H]1CCCCCC[C@@H]1NCCF ZINC000309414993 385575529 /nfs/dbraw/zinc/57/55/29/385575529.db2.gz CLPBUAYLJOBTBS-MNOVXSKESA-N 0 3 231.311 2.058 10 0 BEAEHN COc1ccccc1CN[C@H]1CCC[C@@H](O)C1 ZINC000037164437 385597852 /nfs/dbraw/zinc/59/78/52/385597852.db2.gz BMUIEJDPPHFNOQ-QWHCGFSZSA-N 0 3 235.327 2.088 10 0 BEAEHN CC(C)[C@H](N)c1nc(C(F)(F)F)c[nH]1 ZINC000036876938 385588557 /nfs/dbraw/zinc/58/85/57/385588557.db2.gz VAFWDMXSHKDTHH-LURJTMIESA-N 0 3 207.199 2.084 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000052395686 385732408 /nfs/dbraw/zinc/73/24/08/385732408.db2.gz BALNFLLNRJMQGH-DTWKUNHWSA-N 0 3 240.734 2.125 10 0 BEAEHN CC(C)C[C@@H]1CCN(C[C@H](O)C(F)(F)F)C1 ZINC000121404470 385843088 /nfs/dbraw/zinc/84/30/88/385843088.db2.gz PQRGBCCABJWYAV-UWVGGRQHSA-N 0 3 239.281 2.278 10 0 BEAEHN C[C@@H]1C[C@H]1CN[C@@H]1COc2ccccc21 ZINC000336769547 385981635 /nfs/dbraw/zinc/98/16/35/385981635.db2.gz VSMOEONOHQICJE-JFGNBEQYSA-N 0 3 203.285 2.366 10 0 BEAEHN CCC[C@@H]1C[C@H]1NCc1cccc(OC)n1 ZINC000233307378 385934076 /nfs/dbraw/zinc/93/40/76/385934076.db2.gz JZWUJBQJKIYBSU-ZYHUDNBSSA-N 0 3 220.316 2.368 10 0 BEAEHN CCC[C@@H](C)CN1CCC[C@@]1(C)C(=O)OC ZINC000189993285 386140463 /nfs/dbraw/zinc/14/04/63/386140463.db2.gz GDEXZYJYQSHGMN-YPMHNXCESA-N 0 3 227.348 2.450 10 0 BEAEHN Cc1nocc1CN[C@H](CC(C)C)CN(C)C ZINC000339240696 386315869 /nfs/dbraw/zinc/31/58/69/386315869.db2.gz POKCRKQZTFVRLC-CYBMUJFWSA-N 0 3 239.363 2.049 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399112531 386414120 /nfs/dbraw/zinc/41/41/20/386414120.db2.gz ZMKCVXYQEHZNRJ-SMDDNHRTSA-N 0 3 246.354 2.300 10 0 BEAEHN CC(C)[C@@H]1CCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000136191743 386568596 /nfs/dbraw/zinc/56/85/96/386568596.db2.gz WBIKIMJDROIRKY-OCCSQVGLSA-N 0 3 238.375 2.023 10 0 BEAEHN COc1ccccc1NC(=O)C1(N)CCCCC1 ZINC000019481077 386755314 /nfs/dbraw/zinc/75/53/14/386755314.db2.gz MLKMGDOHSFYRFX-UHFFFAOYSA-N 0 3 248.326 2.295 10 0 BEAEHN NC[C@H](N)c1c(Cl)cccc1C(F)(F)F ZINC000044473259 386781182 /nfs/dbraw/zinc/78/11/82/386781182.db2.gz VBKGRRQWQAJVBR-ZETCQYMHSA-N 0 3 238.640 2.317 10 0 BEAEHN NC[C@@H](N)c1c(Cl)cccc1C(F)(F)F ZINC000044473256 386781450 /nfs/dbraw/zinc/78/14/50/386781450.db2.gz VBKGRRQWQAJVBR-SSDOTTSWSA-N 0 3 238.640 2.317 10 0 BEAEHN COCc1cc(Br)c(CN)s1 ZINC000575453263 386809710 /nfs/dbraw/zinc/80/97/10/386809710.db2.gz ARSZJLYJPPVURT-UHFFFAOYSA-N 0 3 236.134 2.116 10 0 BEAEHN Cc1ncsc1[C@H](N)[C@@H]1CCSC1 ZINC000575453825 386829273 /nfs/dbraw/zinc/82/92/73/386829273.db2.gz IUCFNJLLDHWSLK-HTQZYQBOSA-N 0 3 214.359 2.204 10 0 BEAEHN C[C@@H]1CC2(CCC2)CN1C[C@H](O)C(F)(F)F ZINC000335747224 386869985 /nfs/dbraw/zinc/86/99/85/386869985.db2.gz HQZASUICNCXOKG-BDAKNGLRSA-N 0 3 237.265 2.174 10 0 BEAEHN CC1(C)CNC[C@@H](c2ccc(F)cc2)O1 ZINC000011803112 386994437 /nfs/dbraw/zinc/99/44/37/386994437.db2.gz AONBUGKSZPVRIM-NSHDSACASA-N 0 3 209.264 2.265 10 0 BEAEHN O[C@@H]1CC[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000398689160 386950162 /nfs/dbraw/zinc/95/01/62/386950162.db2.gz BSNLWENZKBBQLW-MRVWCRGKSA-N 0 3 249.329 2.419 10 0 BEAEHN O[C@@H]1CC[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000398689148 386950598 /nfs/dbraw/zinc/95/05/98/386950598.db2.gz BSNLWENZKBBQLW-FPMFFAJLSA-N 0 3 249.329 2.419 10 0 BEAEHN Cc1cc([C@]2(N)CCCSC2)sn1 ZINC000575464278 387044705 /nfs/dbraw/zinc/04/47/05/387044705.db2.gz HXVCQOQCQVVAAL-VIFPVBQESA-N 0 3 214.359 2.133 10 0 BEAEHN CC(C)[C@H]1CCCCN1CC(=O)NC(C)(C)C ZINC000117347357 387016614 /nfs/dbraw/zinc/01/66/14/387016614.db2.gz VDPDLYMHCQBCMY-GFCCVEGCSA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1nccs1 ZINC000246368090 387079857 /nfs/dbraw/zinc/07/98/57/387079857.db2.gz IZSUFPGBTZPSGB-DCAQKATOSA-N 0 3 240.372 2.345 10 0 BEAEHN Clc1cccnc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000334993436 387084108 /nfs/dbraw/zinc/08/41/08/387084108.db2.gz RCUHSBYUDAZGLJ-AOOOYVTPSA-N 0 3 237.734 2.066 10 0 BEAEHN COc1ccc([C@H](N)CC(F)F)c(F)c1 ZINC000575437742 387110417 /nfs/dbraw/zinc/11/04/17/387110417.db2.gz RYRCUIJVKQPAGF-SECBINFHSA-N 0 3 219.206 2.489 10 0 BEAEHN COc1cccc(F)c1[C@H](N)CCF ZINC000575438043 387111900 /nfs/dbraw/zinc/11/19/00/387111900.db2.gz AVQDCEWJEBPPAO-MRVPVSSYSA-N 0 3 201.216 2.194 10 0 BEAEHN COc1ccc(OC)c([C@H](N)CCF)c1 ZINC000575438891 387120254 /nfs/dbraw/zinc/12/02/54/387120254.db2.gz FHXPCQUIBIKPIO-SNVBAGLBSA-N 0 3 213.252 2.063 10 0 BEAEHN N[C@@H](CCF)c1cc(F)c(F)cc1F ZINC000575439613 387123758 /nfs/dbraw/zinc/12/37/58/387123758.db2.gz VOQDFDPIFIOAQS-VIFPVBQESA-N 0 3 207.170 2.463 10 0 BEAEHN N[C@H](CCF)c1c(F)ccc(F)c1F ZINC000575439388 387123931 /nfs/dbraw/zinc/12/39/31/387123931.db2.gz IEDFXCCGDHPNPZ-SSDOTTSWSA-N 0 3 207.170 2.463 10 0 BEAEHN COc1ccc(F)cc1[C@@H](N)CCF ZINC000575438458 387128790 /nfs/dbraw/zinc/12/87/90/387128790.db2.gz JEDOBOKBDUEILX-VIFPVBQESA-N 0 3 201.216 2.194 10 0 BEAEHN CSC[C@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000187885401 387219132 /nfs/dbraw/zinc/21/91/32/387219132.db2.gz ICSDNOPPHMSMBD-GHMZBOCLSA-N 0 3 241.356 2.140 10 0 BEAEHN C[C@@H]1OCC[C@@H]1N[C@H]1CCOc2ccccc21 ZINC000252688310 387237066 /nfs/dbraw/zinc/23/70/66/387237066.db2.gz NYPGCBXIOMBYGQ-DRZSPHRISA-N 0 3 233.311 2.277 10 0 BEAEHN Cc1nc2n(n1)CCC[C@@H]2NCCC(C)(C)C ZINC000188095870 387247354 /nfs/dbraw/zinc/24/73/54/387247354.db2.gz HDZBCBLALGMZCF-NSHDSACASA-N 0 3 236.363 2.447 10 0 BEAEHN CC(C)[C@H]1CCCCN1C[C@H](O)C(F)(F)F ZINC000121344243 387342150 /nfs/dbraw/zinc/34/21/50/387342150.db2.gz GABDFEIAWIFYHV-ZJUUUORDSA-N 0 3 239.281 2.420 10 0 BEAEHN C[C@H]1C[C@]2(CC(=O)CO2)CN1Cc1ccccc1 ZINC000575500837 387348863 /nfs/dbraw/zinc/34/88/63/387348863.db2.gz XQLUEJIOSCQJQY-WFASDCNBSA-N 0 3 245.322 2.009 10 0 BEAEHN CCOc1ccccc1CN(C)[C@H]1CCC[C@@H]1O ZINC000352668923 387429946 /nfs/dbraw/zinc/42/99/46/387429946.db2.gz VYQKUVSMIQQDCG-KBPBESRZSA-N 0 3 249.354 2.431 10 0 BEAEHN CCOc1cc(F)c(OCC)c(CN)c1 ZINC000575721850 387444932 /nfs/dbraw/zinc/44/49/32/387444932.db2.gz WMSAULBDCVZTLQ-UHFFFAOYSA-N 0 3 213.252 2.082 10 0 BEAEHN Cn1c(Cl)ncc1[C@@H](N)C(C)(C)C ZINC000575509340 387392890 /nfs/dbraw/zinc/39/28/90/387392890.db2.gz WYIOSJRRPYAESW-SSDOTTSWSA-N 0 3 201.701 2.119 10 0 BEAEHN N[C@H](CF)c1ccccc1Br ZINC000211414251 387522279 /nfs/dbraw/zinc/52/22/79/387522279.db2.gz HSWJPZQAKSROMN-MRVPVSSYSA-N 0 3 218.069 2.418 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H]1O)c1cccc(F)c1 ZINC000042237121 387623610 /nfs/dbraw/zinc/62/36/10/387623610.db2.gz KTAYIDAWRCXRTO-BIMULSAOSA-N 0 3 223.291 2.390 10 0 BEAEHN CC(C)C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000119106530 387552253 /nfs/dbraw/zinc/55/22/53/387552253.db2.gz DDUXVTSIHKURQC-ZDUSSCGKSA-N 0 3 238.375 2.023 10 0 BEAEHN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)o1)N(C)C ZINC000124795921 387631286 /nfs/dbraw/zinc/63/12/86/387631286.db2.gz GAZZISYFTCJVRH-QWRGUYRKSA-N 0 3 238.331 2.105 10 0 BEAEHN C[C@H]1CC[C@@](N)(c2cncs2)CS1 ZINC000575571851 387746189 /nfs/dbraw/zinc/74/61/89/387746189.db2.gz PJDQOHYYRHKXJM-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@@H]1C[C@@](N)(c2sccc2Cl)CO1 ZINC000575564203 387706096 /nfs/dbraw/zinc/70/60/96/387706096.db2.gz DGPGGJGOOLXYQX-MUWHJKNJSA-N 0 3 217.721 2.364 10 0 BEAEHN C[C@H]1COC[C@@]1(N)c1ccsc1Cl ZINC000575573301 387755654 /nfs/dbraw/zinc/75/56/54/387755654.db2.gz WSVOSOPBGOYRHM-RCOVLWMOSA-N 0 3 217.721 2.222 10 0 BEAEHN C[C@H]1COC[C@]1(N)c1sccc1Cl ZINC000575568958 387731568 /nfs/dbraw/zinc/73/15/68/387731568.db2.gz GHTYMLSQILNRES-IMTBSYHQSA-N 0 3 217.721 2.222 10 0 BEAEHN C[C@@H]1SCCC[C@@]1(N)c1cscn1 ZINC000575566332 387734093 /nfs/dbraw/zinc/73/40/93/387734093.db2.gz ULXJXOJWLOJOLA-CBAPKCEASA-N 0 3 214.359 2.213 10 0 BEAEHN N[C@@]1(c2ccsn2)CCCSCC1 ZINC000575571322 387735810 /nfs/dbraw/zinc/73/58/10/387735810.db2.gz NAAIOAIYIHVBPQ-VIFPVBQESA-N 0 3 214.359 2.214 10 0 BEAEHN N[C@@H](c1ncsc1Br)C1CC1 ZINC000575571039 387740325 /nfs/dbraw/zinc/74/03/25/387740325.db2.gz SLWIBANEZOONOM-RXMQYKEDSA-N 0 3 233.134 2.315 10 0 BEAEHN CC1CCC(CNCc2nccn2C)CC1 ZINC000062103949 387850786 /nfs/dbraw/zinc/85/07/86/387850786.db2.gz NVXRIJSIMROIDW-UHFFFAOYSA-N 0 3 221.348 2.336 10 0 BEAEHN C1=CO[C@H](CN2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000193759826 387862042 /nfs/dbraw/zinc/86/20/42/387862042.db2.gz YAXOHEIANJUUAM-MELADBBJSA-N 0 3 237.343 2.323 10 0 BEAEHN N[C@H](Cc1cccs1)c1ccccn1 ZINC000053816990 387914764 /nfs/dbraw/zinc/91/47/64/387914764.db2.gz UWALIAKJLWFZHV-SNVBAGLBSA-N 0 3 204.298 2.386 10 0 BEAEHN CN[C@@H]1CC[S@@](=O)c2c(Cl)cccc21 ZINC000040974067 387978437 /nfs/dbraw/zinc/97/84/37/387978437.db2.gz DBJCJGYVONEIKQ-OTYXRUKQSA-N 0 3 229.732 2.112 10 0 BEAEHN NCc1cnoc1-c1ccc(Cl)cc1 ZINC000071511369 388096528 /nfs/dbraw/zinc/09/65/28/388096528.db2.gz ZPLMGIUZFSEZRO-UHFFFAOYSA-N 0 3 208.648 2.454 10 0 BEAEHN COC[C@@H](N)c1cc(Br)cs1 ZINC000071546912 388098154 /nfs/dbraw/zinc/09/81/54/388098154.db2.gz VECGXKPVWFXFKF-ZCFIWIBFSA-N 0 3 236.134 2.157 10 0 BEAEHN COc1cccc(CN[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646091352 388140636 /nfs/dbraw/zinc/14/06/36/388140636.db2.gz MIKHMDHEUUFJAH-CYZMBNFOSA-N 0 3 232.327 2.368 10 0 BEAEHN CCC[C@@H]1C[C@@H]1NCc1cnc(N(C)C)s1 ZINC000165051745 388250460 /nfs/dbraw/zinc/25/04/60/388250460.db2.gz LQAULZROQFBQAF-KOLCDFICSA-N 0 3 239.388 2.487 10 0 BEAEHN CCC[C@@H]1NCC[C@H](C)[S@@](=O)[C@H]1CC ZINC000251201685 388254752 /nfs/dbraw/zinc/25/47/52/388254752.db2.gz VLLGXMHTKGLYGG-AYGWYOGXSA-N 0 3 217.378 2.064 10 0 BEAEHN COc1c(CNCCC=C(C)C)c(C)nn1C ZINC000276588476 388350177 /nfs/dbraw/zinc/35/01/77/388350177.db2.gz CWZLXVDVIXSFAT-UHFFFAOYSA-N 0 3 237.347 2.183 10 0 BEAEHN O=C(Cc1ccsc1)[C@@H]1CCCCCN1 ZINC000226522133 388352138 /nfs/dbraw/zinc/35/21/38/388352138.db2.gz PZWAZMNUZAZCQL-NSHDSACASA-N 0 3 223.341 2.392 10 0 BEAEHN C[C@H]1[C@H](O)CCCN1Cc1ccccc1F ZINC000294685711 388403594 /nfs/dbraw/zinc/40/35/94/388403594.db2.gz AEYKCGNAIQHORE-GXFFZTMASA-N 0 3 223.291 2.171 10 0 BEAEHN O[C@@H]1CCCC[C@@H]1N1CCc2cc(F)ccc2C1 ZINC000245538395 388422335 /nfs/dbraw/zinc/42/23/35/388422335.db2.gz JXISTLHYOWWFOK-LSDHHAIUSA-N 0 3 249.329 2.487 10 0 BEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)C1CC1 ZINC000175275744 388428793 /nfs/dbraw/zinc/42/87/93/388428793.db2.gz RZEWYIHPJOSROC-DGCLKSJQSA-N 0 3 240.391 2.125 10 0 BEAEHN CSCc1nc(C)c([C@@H](C)N)s1 ZINC000054496937 388594064 /nfs/dbraw/zinc/59/40/64/388594064.db2.gz IMOATFFZQYFFGS-RXMQYKEDSA-N 0 3 202.348 2.334 10 0 BEAEHN CCN1CCC[C@H](N[C@H](C)c2ccoc2)C1 ZINC000245849955 388607348 /nfs/dbraw/zinc/60/73/48/388607348.db2.gz BDRFIKHOALFYLS-YPMHNXCESA-N 0 3 222.332 2.415 10 0 BEAEHN Cc1ccc([C@H](C)N[C@H]2CCO[C@H]2C)o1 ZINC000245940226 388611238 /nfs/dbraw/zinc/61/12/38/388611238.db2.gz MFRQYIAOTVKKAT-DCAQKATOSA-N 0 3 209.289 2.416 10 0 BEAEHN CCC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)C ZINC000246655379 388647187 /nfs/dbraw/zinc/64/71/87/388647187.db2.gz UBAIIVGKYKHYTJ-JHJVBQTASA-N 0 3 240.391 2.412 10 0 BEAEHN C[C@H]1SCCC[C@@]1(N)c1ccns1 ZINC000575453038 388748132 /nfs/dbraw/zinc/74/81/32/388748132.db2.gz DLSIZOFJAMYNHF-APPZFPTMSA-N 0 3 214.359 2.213 10 0 BEAEHN C[C@H]1OCC[C@]1(N)c1sccc1Cl ZINC000575449293 388728352 /nfs/dbraw/zinc/72/83/52/388728352.db2.gz GDUUIXAAUJWKOB-HZGVNTEJSA-N 0 3 217.721 2.364 10 0 BEAEHN Cc1cc(-n2cnc(Br)c2)ccn1 ZINC000072193555 177697244 /nfs/dbraw/zinc/69/72/44/177697244.db2.gz FXAJJXSGAAWNKT-UHFFFAOYSA-N 0 3 238.088 2.338 10 0 BEAEHN Cc1ncsc1[C@@]1(N)CCCSC1 ZINC000575463514 388831256 /nfs/dbraw/zinc/83/12/56/388831256.db2.gz RRNSRVYBCHXXFX-SECBINFHSA-N 0 3 214.359 2.133 10 0 BEAEHN Cc1cnn(CCNCc2ccsc2C)c1 ZINC000293617133 388860081 /nfs/dbraw/zinc/86/00/81/388860081.db2.gz QBWDVNPXTOCHPO-UHFFFAOYSA-N 0 3 235.356 2.351 10 0 BEAEHN C[C@@H]1N(Cc2ccccc2)CC[C@@]12CC(=O)CO2 ZINC000575499347 388989859 /nfs/dbraw/zinc/98/98/59/388989859.db2.gz FNSOKCDQOJPIFH-SWLSCSKDSA-N 0 3 245.322 2.009 10 0 BEAEHN Cc1cncc([C@H](C)N[C@@H]2CCO[C@@H]2C)c1 ZINC000274326792 389046671 /nfs/dbraw/zinc/04/66/71/389046671.db2.gz AAIZHZBCYSWJTG-DMDPSCGWSA-N 0 3 220.316 2.218 10 0 BEAEHN Cc1cnc(CN[C@@H]2CCCC[C@@H]2CO)s1 ZINC000274900468 389049740 /nfs/dbraw/zinc/04/97/40/389049740.db2.gz ICUPIVOHBGHWLC-GHMZBOCLSA-N 0 3 240.372 2.092 10 0 BEAEHN C[C@@H]1CCCN(c2cccc(CN)n2)[C@@H]1C ZINC000051396014 132359983 /nfs/dbraw/zinc/35/99/83/132359983.db2.gz WXBIPCFVUGXCIV-GHMZBOCLSA-N 0 3 219.332 2.165 10 0 BEAEHN NCc1cnc(N2CCCCC2)c(Cl)c1 ZINC000051396458 132360033 /nfs/dbraw/zinc/36/00/33/132360033.db2.gz QEVQQVXIULMULV-UHFFFAOYSA-N 0 3 225.723 2.184 10 0 BEAEHN Cc1ccc(Cl)cc1N1CCN[C@@H](C)C1 ZINC000071531983 132439137 /nfs/dbraw/zinc/43/91/37/132439137.db2.gz GMWFZTPLQCIZOA-JTQLQIEISA-N 0 3 224.735 2.447 10 0 BEAEHN C[C@@H]1CNCCN1c1ccc2ccccc2n1 ZINC000054375200 132233625 /nfs/dbraw/zinc/23/36/25/132233625.db2.gz ZHHPVIMHTHKKIZ-LLVKDONJSA-N 0 3 227.311 2.033 10 0 BEAEHN CC[C@H](C)Oc1cccc(N2CCNCC2)c1 ZINC000019688516 132326316 /nfs/dbraw/zinc/32/63/16/132326316.db2.gz XYXSUZJFXSVBJW-LBPRGKRZSA-N 0 3 234.343 2.274 10 0 BEAEHN C[C@@H](N)c1c(F)cccc1N1CCSCC1 ZINC000020257405 132330565 /nfs/dbraw/zinc/33/05/65/132330565.db2.gz QGXYQRAWCOKZBG-SECBINFHSA-N 0 3 240.347 2.399 10 0 BEAEHN Cc1cc(C)c(CN)c(N2CCCCC2)n1 ZINC000020443007 132331729 /nfs/dbraw/zinc/33/17/29/132331729.db2.gz GFHDFBQLOGKPMS-UHFFFAOYSA-N 0 3 219.332 2.147 10 0 BEAEHN CCC1CCN(c2ncccc2CN)CC1 ZINC000042446147 132352352 /nfs/dbraw/zinc/35/23/52/132352352.db2.gz IGMBUIIMPXPKEF-UHFFFAOYSA-N 0 3 219.332 2.167 10 0 BEAEHN NCc1ccccc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000044420328 132354098 /nfs/dbraw/zinc/35/40/98/132354098.db2.gz YPTABHYJLQVAPD-LSDHHAIUSA-N 0 3 246.354 2.293 10 0 BEAEHN NCc1cc(N2CCc3ccccc3C2)ccn1 ZINC000051396370 132360188 /nfs/dbraw/zinc/36/01/88/132360188.db2.gz AFUVSNPYSVIUBI-UHFFFAOYSA-N 0 3 239.322 2.103 10 0 BEAEHN C1=C[C@H](N2CCN3CCCC[C@H]3C2)CCC1 ZINC000177756709 134299982 /nfs/dbraw/zinc/29/99/82/134299982.db2.gz VOBUJXFOKVJJEZ-KBPBESRZSA-N 0 3 220.360 2.265 10 0 BEAEHN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)C1CCC1 ZINC000178075037 134303002 /nfs/dbraw/zinc/30/30/02/134303002.db2.gz DWZNCKRENSNTLC-MNOVXSKESA-N 0 3 248.374 2.454 10 0 BEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)C1CCC1 ZINC000178415602 134310089 /nfs/dbraw/zinc/31/00/89/134310089.db2.gz YGXTWEQKSKQTFM-ZYHUDNBSSA-N 0 3 248.374 2.454 10 0 BEAEHN c1csc(CN2CCCN(C3CC3)CC2)c1 ZINC000179733222 134320755 /nfs/dbraw/zinc/32/07/55/134320755.db2.gz RZLUBDLHDGUXJL-UHFFFAOYSA-N 0 3 236.384 2.418 10 0 BEAEHN C[C@H]1CCCC[C@@H]1NCc1nnc(C2CC2)n1C ZINC000184586482 134363793 /nfs/dbraw/zinc/36/37/93/134363793.db2.gz FSKKGZWXTJOKMA-JQWIXIFHSA-N 0 3 248.374 2.361 10 0 BEAEHN CCN1CCC[C@@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC000184764087 134370627 /nfs/dbraw/zinc/37/06/27/134370627.db2.gz NUKGDICMWALYSU-QWHCGFSZSA-N 0 3 240.391 2.269 10 0 BEAEHN CCCn1ccc(CN[C@@H]2CCO[C@H]2C)c1 ZINC000134535043 134714271 /nfs/dbraw/zinc/71/42/71/134714271.db2.gz OLMYYUXIVIDDCP-WCQYABFASA-N 0 3 222.332 2.165 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cnccn1 ZINC000247146773 134972208 /nfs/dbraw/zinc/97/22/08/134972208.db2.gz RFAWCFZPEGSXOY-CIQGVGRVSA-N 0 3 247.342 2.085 10 0 BEAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1cnccn1 ZINC000248701249 135019331 /nfs/dbraw/zinc/01/93/31/135019331.db2.gz AGSINXZJKBTWFM-VHRBIJSZSA-N 0 3 247.342 2.085 10 0 BEAEHN CC[C@@H]1CC[C@H](N[C@H](C)c2nncn2C)C1 ZINC000251817385 135077579 /nfs/dbraw/zinc/07/75/79/135077579.db2.gz ZIKAKHDLBGITOO-MXWKQRLJSA-N 0 3 222.336 2.044 10 0 BEAEHN C[C@H]1CN2CCCC[C@H]2CN1CC1CCC1 ZINC000252519974 135091983 /nfs/dbraw/zinc/09/19/83/135091983.db2.gz ASGNGTXMRFXJSZ-JSGCOSHPSA-N 0 3 222.376 2.345 10 0 BEAEHN C[C@@H]1C[C@@H]1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000252948204 135117836 /nfs/dbraw/zinc/11/78/36/135117836.db2.gz AYGWJNLOXCBQPV-AAVRWANBSA-N 0 3 222.376 2.201 10 0 BEAEHN Cc1ncc([C@H](C)N[C@H]2CCCC[C@H]2O)c(C)n1 ZINC000268878836 135364000 /nfs/dbraw/zinc/36/40/00/135364000.db2.gz KZKFMGNHBXWXRV-LEWSCRJBSA-N 0 3 249.358 2.048 10 0 BEAEHN C[C@@H](NC[C@@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550855 397966735 /nfs/dbraw/zinc/96/67/35/397966735.db2.gz ZXIYVLSDDBRGRI-KOLCDFICSA-N 0 3 238.306 2.238 10 0 BEAEHN CN[C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000054073315 398025306 /nfs/dbraw/zinc/02/53/06/398025306.db2.gz QAFTYVZAWSCIOB-DGCLKSJQSA-N 0 3 234.343 2.108 10 0 BEAEHN N[C@H](c1cscn1)[C@H]1CCCCS1 ZINC000307127200 397984039 /nfs/dbraw/zinc/98/40/39/397984039.db2.gz IRHOFRDXSZGBEX-RKDXNWHRSA-N 0 3 214.359 2.429 10 0 BEAEHN CC[C@@H]1C[C@]1(N)c1ccncc1Br ZINC000307316956 398077238 /nfs/dbraw/zinc/07/72/38/398077238.db2.gz OAKNSZLXFHPCRF-GMSGAONNSA-N 0 3 241.132 2.428 10 0 BEAEHN COc1cccc([C@H](CCN(C)C)C(C)=O)c1 ZINC000584627373 398080123 /nfs/dbraw/zinc/08/01/23/398080123.db2.gz VMNDUSNVXOKPII-CQSZACIVSA-N 0 3 235.327 2.320 10 0 BEAEHN CC(C)OCCO[C@@H](CN)c1ccccc1F ZINC000043047622 167248435 /nfs/dbraw/zinc/24/84/35/167248435.db2.gz JQCZWFIWFAHKGL-ZDUSSCGKSA-N 0 3 241.306 2.267 10 0 BEAEHN Cc1nc(C)c([C@@H](C)NC2CC(CO)C2)s1 ZINC000658350097 487591038 /nfs/dbraw/zinc/59/10/38/487591038.db2.gz AXPPYGGGFQKDIM-MFAVDMRSSA-N 0 3 240.372 2.181 10 0 BEAEHN Brc1ccccc1[C@@H]1CCN1 ZINC000077284947 166102932 /nfs/dbraw/zinc/10/29/32/166102932.db2.gz RWECNCYGZCQMRQ-VIFPVBQESA-N 0 3 212.090 2.484 10 0 in-vitro BEAEHN Cc1cccc(NC(=O)[C@@]2(C)CCCCN2)c1O ZINC000133553007 410433965 /nfs/dbraw/zinc/43/39/65/410433965.db2.gz KZFLNSOKKHKDNZ-CQSZACIVSA-N 0 3 248.326 2.171 10 0 BEAEHN Cc1ccc(C)c(Cn2cc(C(C)(C)N)nn2)c1 ZINC000070118572 410666124 /nfs/dbraw/zinc/66/61/24/410666124.db2.gz AYZAIMRITFMNDF-UHFFFAOYSA-N 0 3 244.342 2.137 10 0 BEAEHN CC(C)CNCc1ccc(N(C)C(C)C)nn1 ZINC000051434712 167007678 /nfs/dbraw/zinc/00/76/78/167007678.db2.gz IIAAWSGYJKHFIA-UHFFFAOYSA-N 0 3 236.363 2.067 10 0 BEAEHN CC(C)CNCc1ccc(N2CCC[C@@H]2C)nn1 ZINC000051398895 167008785 /nfs/dbraw/zinc/00/87/85/167008785.db2.gz GMIDEWVWRULTJI-LBPRGKRZSA-N 0 3 248.374 2.211 10 0 BEAEHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)Cc1ccccc1 ZINC000062186834 167079894 /nfs/dbraw/zinc/07/98/94/167079894.db2.gz IWLSAQPJAKUDHU-QWHCGFSZSA-N 0 3 248.370 2.120 10 0 BEAEHN CC(C)NCc1cnc(-c2ccco2)nc1 ZINC000054856040 167121106 /nfs/dbraw/zinc/12/11/06/167121106.db2.gz BUHFMHAZGXARRI-UHFFFAOYSA-N 0 3 217.272 2.235 10 0 BEAEHN CC(C)NCc1csc(-c2cnccn2)n1 ZINC000040999707 167122096 /nfs/dbraw/zinc/12/20/96/167122096.db2.gz UPRRAAGZDPKQNC-UHFFFAOYSA-N 0 3 234.328 2.098 10 0 BEAEHN CC(C)N[C@H](CO)c1cccc(Cl)c1 ZINC000038115740 167140133 /nfs/dbraw/zinc/14/01/33/167140133.db2.gz KJPANYHVXQFQMC-LLVKDONJSA-N 0 3 213.708 2.371 10 0 BEAEHN CC(C)N[C@@H](CO)c1cccc(Cl)c1 ZINC000038115739 167132336 /nfs/dbraw/zinc/13/23/36/167132336.db2.gz KJPANYHVXQFQMC-NSHDSACASA-N 0 3 213.708 2.371 10 0 BEAEHN CC(C)N[C@@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974240 167134016 /nfs/dbraw/zinc/13/40/16/167134016.db2.gz AOEMKSUXDQNSDR-BZNIZROVSA-N 0 3 241.331 2.376 10 0 BEAEHN CC(C)N[C@@H](c1nccs1)[C@H]1CCOC1 ZINC000041061538 167135534 /nfs/dbraw/zinc/13/55/34/167135534.db2.gz QPOUZYMXHRVKSY-VHSXEESVSA-N 0 3 226.345 2.219 10 0 BEAEHN CC(C)N[C@H](CO)c1cc2cc(O)ccc2o1 ZINC000082301351 167139830 /nfs/dbraw/zinc/13/98/30/167139830.db2.gz MMOAGMXLELZUGN-LLVKDONJSA-N 0 3 235.283 2.170 10 0 BEAEHN CC(C)OCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483558 167231484 /nfs/dbraw/zinc/23/14/84/167231484.db2.gz PYYOOXRWCUTWQE-CYBMUJFWSA-N 0 3 237.347 2.362 10 0 BEAEHN CC(C)OCCO[C@@H]1CCc2ccccc2[C@@H]1N ZINC000020262989 167248733 /nfs/dbraw/zinc/24/87/33/167248733.db2.gz MKTMYXTZJXBILS-CABCVRRESA-N 0 3 249.354 2.443 10 0 BEAEHN CC(C)Oc1ccc(-c2ccc(=NN)[nH]n2)cc1 ZINC000050194162 167289074 /nfs/dbraw/zinc/28/90/74/167289074.db2.gz XHLVTPSJHNAAPV-UHFFFAOYSA-N 0 3 244.298 2.216 10 0 BEAEHN CC(C)Oc1ccc(CNC[C@H](C)O)cc1F ZINC000098126653 167294904 /nfs/dbraw/zinc/29/49/04/167294904.db2.gz HIVQVJZANCUQHN-JTQLQIEISA-N 0 3 241.306 2.083 10 0 BEAEHN CC(C)Oc1ccc([C@@H](C)NCCO)cc1F ZINC000020549959 167300043 /nfs/dbraw/zinc/30/00/43/167300043.db2.gz GCMSBMPXVCSWNB-SNVBAGLBSA-N 0 3 241.306 2.256 10 0 BEAEHN CC(C)[C@@H](N)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000036136694 167412848 /nfs/dbraw/zinc/41/28/48/167412848.db2.gz XNJUJLHCRNBEKH-UONOGXRCSA-N 0 3 246.354 2.116 10 0 BEAEHN CC(C)CCN(CC(=O)NC(C)(C)C)C1CC1 ZINC000045751715 411148893 /nfs/dbraw/zinc/14/88/93/411148893.db2.gz DIXDXNJDGRKDGW-UHFFFAOYSA-N 0 3 240.391 2.412 10 0 BEAEHN C1=CCC(CN2CCN3CCCC[C@@H]3C2)C1 ZINC000660078476 411221592 /nfs/dbraw/zinc/22/15/92/411221592.db2.gz WDRZSGZXMUYAAI-CQSZACIVSA-N 0 3 220.360 2.123 10 0 BEAEHN Cc1cccc(C)c1Cn1cc(C(C)(C)N)nn1 ZINC000215702243 411235030 /nfs/dbraw/zinc/23/50/30/411235030.db2.gz ZRFMNIWLUXEYBN-UHFFFAOYSA-N 0 3 244.342 2.137 10 0 BEAEHN CCN(Cc1ccccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000311056564 411309761 /nfs/dbraw/zinc/30/97/61/411309761.db2.gz YHJSSQKQJUMZFZ-DZGCQCFKSA-N 0 3 248.370 2.455 10 0 BEAEHN CC[C@H](NC(=O)C1(N)CC2(CCC2)C1)C(C)C ZINC000659249594 411381203 /nfs/dbraw/zinc/38/12/03/411381203.db2.gz DQGVSUMPTMBSLZ-NSHDSACASA-N 0 3 238.375 2.199 10 0 BEAEHN CC1CCC(NC(=O)[C@H](N)C(C)(C)C)CC1 ZINC000077488079 168161550 /nfs/dbraw/zinc/16/15/50/168161550.db2.gz UXYFXSUUVOULGI-ILDUYXDCSA-N 0 3 226.364 2.055 10 0 BEAEHN CN[C@H](C)C(=O)NC1CCC(C2CCC2)CC1 ZINC000659387283 411409667 /nfs/dbraw/zinc/40/96/67/411409667.db2.gz YJDWSNNRJZDBSI-QFWMXSHPSA-N 0 3 238.375 2.069 10 0 BEAEHN CCN1CCCOC[C@H]1c1ccccc1N ZINC000616648243 411411667 /nfs/dbraw/zinc/41/16/67/411411667.db2.gz CCESZXWYZOZVBD-ZDUSSCGKSA-N 0 3 220.316 2.052 10 0 BEAEHN CCN1CCc2nc([C@@](C)(N)CC)sc2C1 ZINC000041059528 170025520 /nfs/dbraw/zinc/02/55/20/170025520.db2.gz NYYBVURATATFMQ-LBPRGKRZSA-N 0 3 239.388 2.105 10 0 BEAEHN CCN1C[C@H](NCc2occc2C)[C@@H](C)C1 ZINC000336782160 170037046 /nfs/dbraw/zinc/03/70/46/170037046.db2.gz WURMNDQWIGHFNY-RYUDHWBXSA-N 0 3 222.332 2.018 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000061289767 170107227 /nfs/dbraw/zinc/10/72/27/170107227.db2.gz ONSODGSGCLRCIS-UHFFFAOYSA-N 0 3 249.358 2.079 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000061298904 170107464 /nfs/dbraw/zinc/10/74/64/170107464.db2.gz NSHLLSJTVIZTML-UHFFFAOYSA-N 0 3 248.326 2.216 10 0 BEAEHN CCNC(C)(C)C(=O)Nc1ccc(Cl)cn1 ZINC000061288419 170107485 /nfs/dbraw/zinc/10/74/85/170107485.db2.gz YEICIQUWHOZBPC-UHFFFAOYSA-N 0 3 241.722 2.062 10 0 BEAEHN CCNC1(c2nccs2)CCN(CC)CC1 ZINC000041060958 170108744 /nfs/dbraw/zinc/10/87/44/170108744.db2.gz RQTJXKULRPTJKC-UHFFFAOYSA-N 0 3 239.388 2.064 10 0 BEAEHN CCNCc1c[nH]c(Cc2ccc(OC)cc2)n1 ZINC000062820989 170124341 /nfs/dbraw/zinc/12/43/41/170124341.db2.gz RCNWZRGBVSSHHS-UHFFFAOYSA-N 0 3 245.326 2.119 10 0 BEAEHN CCNCc1cnc(Cc2ccc(OC)cc2)[nH]1 ZINC000062820989 170124342 /nfs/dbraw/zinc/12/43/42/170124342.db2.gz RCNWZRGBVSSHHS-UHFFFAOYSA-N 0 3 245.326 2.119 10 0 BEAEHN CCNCc1cc(CN(CC)[C@@H](C)CC)on1 ZINC000052451143 170125198 /nfs/dbraw/zinc/12/51/98/170125198.db2.gz VNDZUUIONXQBDA-NSHDSACASA-N 0 3 239.363 2.405 10 0 BEAEHN CCNCc1cc(N2CC[C@@H](C)C2)ccn1 ZINC000051448404 170125755 /nfs/dbraw/zinc/12/57/55/170125755.db2.gz FDHAPMDZVFOKQJ-LLVKDONJSA-N 0 3 219.332 2.037 10 0 BEAEHN CCNCc1ccc(N(C)CCC(C)C)nn1 ZINC000051492632 170126139 /nfs/dbraw/zinc/12/61/39/170126139.db2.gz VBHHPEAULHVPLK-UHFFFAOYSA-N 0 3 236.363 2.068 10 0 BEAEHN CCNCc1ccc(N(C)C(CC)CC)nn1 ZINC000051444967 170126593 /nfs/dbraw/zinc/12/65/93/170126593.db2.gz CKHXDLCKXYJNGB-UHFFFAOYSA-N 0 3 236.363 2.211 10 0 BEAEHN CCNCc1ccc(N2CCC[C@@H](C)CC2)nn1 ZINC000104352146 170127239 /nfs/dbraw/zinc/12/72/39/170127239.db2.gz WCBQGVPQHJBXBS-GFCCVEGCSA-N 0 3 248.374 2.213 10 0 BEAEHN CCNCc1cccc(C(F)(F)F)n1 ZINC000085221204 170128378 /nfs/dbraw/zinc/12/83/78/170128378.db2.gz BIPBIDJWDOUAFC-UHFFFAOYSA-N 0 3 204.195 2.210 10 0 BEAEHN CCNCc1ccnc(-c2ccsc2)n1 ZINC000054791368 170129462 /nfs/dbraw/zinc/12/94/62/170129462.db2.gz BYXMIPCAWBTBFK-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1cn2c(cccc2Cl)n1 ZINC000076792534 170129688 /nfs/dbraw/zinc/12/96/88/170129688.db2.gz SECQATFLNBMMGY-UHFFFAOYSA-N 0 3 209.680 2.097 10 0 BEAEHN CCNCc1cnn(-c2ccccc2F)c1 ZINC000040932445 170130149 /nfs/dbraw/zinc/13/01/49/170130149.db2.gz TYACCIRXFDLXTP-UHFFFAOYSA-N 0 3 219.263 2.121 10 0 BEAEHN CCNCc1cnc(N2CCC[C@@H](C)C2)s1 ZINC000054900623 170130628 /nfs/dbraw/zinc/13/06/28/170130628.db2.gz HEOMQVYICOLDJP-SNVBAGLBSA-N 0 3 239.388 2.489 10 0 BEAEHN CCNCc1nc(-c2ccncc2)cs1 ZINC000053294290 170130843 /nfs/dbraw/zinc/13/08/43/170130843.db2.gz DQSNFSRULZOOJI-UHFFFAOYSA-N 0 3 219.313 2.315 10 0 BEAEHN CCNCc1nc(C(C)C)ncc1N1CCCC1 ZINC000051399160 170131711 /nfs/dbraw/zinc/13/17/11/170131711.db2.gz LLLQDKSWAYHTFR-UHFFFAOYSA-N 0 3 248.374 2.310 10 0 BEAEHN CCNCc1nccn1Cc1ccccc1C ZINC000051005025 170132015 /nfs/dbraw/zinc/13/20/15/170132015.db2.gz DBCUFSFHUUELIX-UHFFFAOYSA-N 0 3 229.327 2.349 10 0 BEAEHN CCNCc1sc(COC)nc1C1CC1 ZINC000082436892 170132420 /nfs/dbraw/zinc/13/24/20/170132420.db2.gz KEUYMIUIVVOEFH-UHFFFAOYSA-N 0 3 226.345 2.276 10 0 BEAEHN CCN[C@@H](C)c1cn2cc(C)sc2n1 ZINC000076789943 170141942 /nfs/dbraw/zinc/14/19/42/170141942.db2.gz VPZSEDHEPGWXEN-QMMMGPOBSA-N 0 3 209.318 2.375 10 0 BEAEHN CCN[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062365956 170143232 /nfs/dbraw/zinc/14/32/32/170143232.db2.gz XZXXGMIKEHWYKE-QMMMGPOBSA-N 0 3 247.298 2.005 10 0 BEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@H]1COCCO1 ZINC000055300109 170147208 /nfs/dbraw/zinc/14/72/08/170147208.db2.gz SYSMLQOFUFOBSH-CABCVRRESA-N 0 3 249.354 2.315 10 0 BEAEHN CCN[C@H](c1cnn(C)c1)c1ccc(OC)cc1 ZINC000035556024 170147415 /nfs/dbraw/zinc/14/74/15/170147415.db2.gz OIJNUNROLGOWKJ-AWEZNQCLSA-N 0 3 245.326 2.128 10 0 BEAEHN CCN[C@@H](c1ccco1)C1CCOCC1 ZINC000061672212 170148464 /nfs/dbraw/zinc/14/84/64/170148464.db2.gz IHFJTHWUEHECDG-GFCCVEGCSA-N 0 3 209.289 2.357 10 0 BEAEHN CCN[C@H](c1cccs1)c1cncnc1 ZINC000052886962 170149051 /nfs/dbraw/zinc/14/90/51/170149051.db2.gz NZYSJLVVIDRHPG-NSHDSACASA-N 0 3 219.313 2.237 10 0 BEAEHN CCN[C@@H](c1nc(C)cs1)[C@H]1CCOC1 ZINC000041061046 170149387 /nfs/dbraw/zinc/14/93/87/170149387.db2.gz KYJIKLBERHWDNE-VHSXEESVSA-N 0 3 226.345 2.139 10 0 BEAEHN CCN[C@@H]1CCC[S@@](=O)c2c(F)cccc21 ZINC000040976270 170151500 /nfs/dbraw/zinc/15/15/00/170151500.db2.gz NHCKQJDJQDTBDJ-BZNIZROVSA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@@H]1CCC[S@@](=O)c2ccc(F)cc21 ZINC000040974223 170152283 /nfs/dbraw/zinc/15/22/83/170152283.db2.gz KMKOGNQFSHIOJN-BZNIZROVSA-N 0 3 241.331 2.378 10 0 BEAEHN CCN[C@@H]1CCN([C@H](C)CCCC(C)C)C1=O ZINC000049649117 170152732 /nfs/dbraw/zinc/15/27/32/170152732.db2.gz RBKACTIUXQNQFX-CHWSQXEVSA-N 0 3 240.391 2.412 10 0 BEAEHN CCN[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000049648336 170152778 /nfs/dbraw/zinc/15/27/78/170152778.db2.gz CAAMTUUCZJOLDG-LLVKDONJSA-N 0 3 238.718 2.055 10 0 BEAEHN CCN[C@@H]1CC[S@](=O)c2cc(F)c(F)cc21 ZINC000040976688 170154125 /nfs/dbraw/zinc/15/41/25/170154125.db2.gz ZOHIKKBCCPKWOK-QLJPJBMISA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@H](C)c1cnc(-c2ncccn2)s1 ZINC000054159705 170160199 /nfs/dbraw/zinc/16/01/99/170160199.db2.gz ZHKNKIDATUTYPW-MRVPVSSYSA-N 0 3 234.328 2.271 10 0 BEAEHN CCN[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062365959 170160263 /nfs/dbraw/zinc/16/02/63/170160263.db2.gz XZXXGMIKEHWYKE-MRVPVSSYSA-N 0 3 247.298 2.005 10 0 BEAEHN CCN[C@H](C)c1nc2cc(F)ccc2n1C ZINC000062366315 170160513 /nfs/dbraw/zinc/16/05/13/170160513.db2.gz BGJSSLQJESOZEB-MRVPVSSYSA-N 0 3 221.279 2.383 10 0 BEAEHN CCN[C@H](CC)C(=O)c1cc(F)ccc1OC ZINC000071549342 170161102 /nfs/dbraw/zinc/16/11/02/170161102.db2.gz HYDOAYNXYKKDPS-LLVKDONJSA-N 0 3 239.290 2.405 10 0 BEAEHN Cc1c(CNC[C@@H](C)c2ccccn2)cnn1C ZINC000657536318 411545697 /nfs/dbraw/zinc/54/56/97/411545697.db2.gz VPVSWXIZBUDUSX-LLVKDONJSA-N 0 3 244.342 2.017 10 0 BEAEHN CCN[C@H]1CCN(C2CCC(CC)CC2)C1=O ZINC000049649043 170166476 /nfs/dbraw/zinc/16/64/76/170166476.db2.gz YQABQMOAWDUDTP-BPCQOVAHSA-N 0 3 238.375 2.166 10 0 BEAEHN CCN[C@H]1CCN([C@H](C)c2ccsc2)C1=O ZINC000061363817 170168271 /nfs/dbraw/zinc/16/82/71/170168271.db2.gz APZSZIYYEXWFJD-KOLCDFICSA-N 0 3 238.356 2.020 10 0 BEAEHN CCN[C@H]1CC[S@@](=O)c2c(F)cc(F)cc21 ZINC000040977137 170168689 /nfs/dbraw/zinc/16/86/89/170168689.db2.gz XOIMWNCQKHPCIR-QFYYESIMSA-N 0 3 245.294 2.127 10 0 BEAEHN CCN[C@H]1CCc2cc(OC)cc(OC)c21 ZINC000042405374 170168701 /nfs/dbraw/zinc/16/87/01/170168701.db2.gz RHOJIDVPEKIDTN-NSHDSACASA-N 0 3 221.300 2.301 10 0 BEAEHN CCN[C@H]1CCOc2cc(OC)cc(OC)c21 ZINC000036204574 170168891 /nfs/dbraw/zinc/16/88/91/170168891.db2.gz SCSCDCBETVCELE-JTQLQIEISA-N 0 3 237.299 2.137 10 0 BEAEHN CCOC(=O)CCNCc1cc(F)ccc1C ZINC000083367028 170208914 /nfs/dbraw/zinc/20/89/14/170208914.db2.gz YBRGZPUHQKYRLX-UHFFFAOYSA-N 0 3 239.290 2.177 10 0 BEAEHN CCOC(=O)CCNCc1cccc2cc[nH]c21 ZINC000083375264 170209256 /nfs/dbraw/zinc/20/92/56/170209256.db2.gz BKIYXZDSMVGUQI-UHFFFAOYSA-N 0 3 246.310 2.211 10 0 BEAEHN CCOC(=O)C[C@@H](N)c1cncc2ccccc21 ZINC000002511924 170231213 /nfs/dbraw/zinc/23/12/13/170231213.db2.gz WJUTXXXJWUIRTN-CYBMUJFWSA-N 0 3 244.294 2.188 10 0 BEAEHN CC[C@H](C)CCNCc1c(C)nn(C)c1OC ZINC000657586589 411557269 /nfs/dbraw/zinc/55/72/69/411557269.db2.gz JPYHOMNUPPXVKU-JTQLQIEISA-N 0 3 239.363 2.263 10 0 BEAEHN CC[C@@H](C)CCNCc1c(C)nn(C)c1OC ZINC000657586590 411557507 /nfs/dbraw/zinc/55/75/07/411557507.db2.gz JPYHOMNUPPXVKU-SNVBAGLBSA-N 0 3 239.363 2.263 10 0 BEAEHN OCC1CC(NCc2cccc(Cl)c2)C1 ZINC000657808368 411601262 /nfs/dbraw/zinc/60/12/62/411601262.db2.gz GZEKLOWDQYJUFR-UHFFFAOYSA-N 0 3 225.719 2.201 10 0 BEAEHN OCC1CC(NCc2coc3ccccc23)C1 ZINC000657813319 411603459 /nfs/dbraw/zinc/60/34/59/411603459.db2.gz TURWAUPODPBIIW-UHFFFAOYSA-N 0 3 231.295 2.293 10 0 BEAEHN OCC1CC(NCc2ccc(Cl)c(F)c2)C1 ZINC000657812327 411603534 /nfs/dbraw/zinc/60/35/34/411603534.db2.gz HZYAVFLCVCOVKZ-UHFFFAOYSA-N 0 3 243.709 2.340 10 0 BEAEHN CCCc1nccnc1NC[C@@H]1CCCN(C)C1 ZINC000663579452 411705099 /nfs/dbraw/zinc/70/50/99/411705099.db2.gz ZSBSGKCLFMBTRX-LBPRGKRZSA-N 0 3 248.374 2.183 10 0 BEAEHN CC(C)c1nccnc1N[C@H]1CCN(C2CC2)C1 ZINC000663425277 411657283 /nfs/dbraw/zinc/65/72/83/411657283.db2.gz ONYFZEDUWTVGSW-NSHDSACASA-N 0 3 246.358 2.249 10 0 BEAEHN CCOc1cccc(NC(=O)[C@](C)(N)C2CC2)c1 ZINC000037768515 170581535 /nfs/dbraw/zinc/58/15/35/170581535.db2.gz KIXTZUVQYLVTMF-CQSZACIVSA-N 0 3 248.326 2.151 10 0 BEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)c1ccc(C)cc1 ZINC000163550897 170776553 /nfs/dbraw/zinc/77/65/53/170776553.db2.gz MXSHBXZMCKTGRX-DGCLKSJQSA-N 0 3 234.343 2.331 10 0 BEAEHN CC[C@@H]1CN(C[C@H](N)c2ccc(C)cc2)CCO1 ZINC000036769724 171085472 /nfs/dbraw/zinc/08/54/72/171085472.db2.gz QIMBQSRBPXYSEK-CABCVRRESA-N 0 3 248.370 2.106 10 0 BEAEHN CC[C@@H]1CSC(NC[C@H]2CCCCO2)=N1 ZINC000042823881 171113892 /nfs/dbraw/zinc/11/38/92/171113892.db2.gz QKNBWMDJWBXQOR-NXEZZACHSA-N 0 3 228.361 2.027 10 0 BEAEHN CC[C@H](C)CN(C)CC(=O)NC(C)(C)CC ZINC000111254336 171272469 /nfs/dbraw/zinc/27/24/69/171272469.db2.gz MCODWIZXEDMVLH-NSHDSACASA-N 0 3 228.380 2.269 10 0 BEAEHN CC[C@H](C)NCC(=O)c1ccc2c(c1)OCCO2 ZINC000041612654 171340095 /nfs/dbraw/zinc/34/00/95/171340095.db2.gz IICJMUSKGAYXNN-JTQLQIEISA-N 0 3 249.310 2.029 10 0 BEAEHN CC[C@H](C)NCc1nc(-c2ccncc2)c[nH]1 ZINC000037617960 171344157 /nfs/dbraw/zinc/34/41/57/171344157.db2.gz WMEYNVLQLJBGNO-JTQLQIEISA-N 0 3 230.315 2.360 10 0 BEAEHN CC[C@H](C)N[C@@](CC)(C(N)=O)c1ccc(C)cc1 ZINC000038065579 171347053 /nfs/dbraw/zinc/34/70/53/171347053.db2.gz CLLRXHGWFVJMTI-SWLSCSKDSA-N 0 3 248.370 2.474 10 0 BEAEHN CC[C@H](C)N[C@@]1(C(N)=O)CCCc2ccccc21 ZINC000038065027 171347074 /nfs/dbraw/zinc/34/70/74/171347074.db2.gz GIXRPNDMHWECLK-NHYWBVRUSA-N 0 3 246.354 2.092 10 0 BEAEHN CC[C@H](C)N[C@](CC)(C(N)=O)c1ccc(C)cc1 ZINC000038065577 171348629 /nfs/dbraw/zinc/34/86/29/171348629.db2.gz CLLRXHGWFVJMTI-WFASDCNBSA-N 0 3 248.370 2.474 10 0 BEAEHN CC[C@H](C)Oc1cc2c(cc1CN)OCO2 ZINC000042873601 171356544 /nfs/dbraw/zinc/35/65/44/171356544.db2.gz OYJBWIUVQDBNRI-QMMMGPOBSA-N 0 3 223.272 2.051 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819555 171370013 /nfs/dbraw/zinc/37/00/13/171370013.db2.gz FZINFGACTNYDPG-CYZMBNFOSA-N 0 3 249.358 2.052 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000042868199 171371358 /nfs/dbraw/zinc/37/13/58/171371358.db2.gz WIAJHUUKKRBRNA-ZDEQEGDKSA-N 0 3 240.391 2.302 10 0 BEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000252392376 171371382 /nfs/dbraw/zinc/37/13/82/171371382.db2.gz UYSUOJLEXCPYQR-MKPLZMMCSA-N 0 3 238.331 2.139 10 0 BEAEHN CC[C@H](C)[C@H](C)N[C@@H]1CCCn2ncnc21 ZINC000122694206 171390377 /nfs/dbraw/zinc/39/03/77/171390377.db2.gz QDGXPFUEQZJIPY-GARJFASQSA-N 0 3 222.336 2.137 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000042494728 171393583 /nfs/dbraw/zinc/39/35/83/171393583.db2.gz IXXRPJONFAAAKV-XQHKEYJVSA-N 0 3 240.391 2.397 10 0 BEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1cccnc1Cl ZINC000037019982 171396805 /nfs/dbraw/zinc/39/68/05/171396805.db2.gz QGGVJWOCNMYFGS-CBAPKCEASA-N 0 3 241.722 2.047 10 0 BEAEHN CCc1nc([C@]2(N)CCSC2)sc1C ZINC000041060230 172008699 /nfs/dbraw/zinc/00/86/99/172008699.db2.gz ZRKKGGCGKPBFPE-JTQLQIEISA-N 0 3 228.386 2.305 10 0 BEAEHN CCc1nc([C@H]2CCCO2)sc1CN ZINC000082423965 172008566 /nfs/dbraw/zinc/00/85/66/172008566.db2.gz MROUGMQSJTVRMC-MRVPVSSYSA-N 0 3 212.318 2.016 10 0 BEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)CC ZINC000122880479 172013317 /nfs/dbraw/zinc/01/33/17/172013317.db2.gz NNYSYVRAYYCBMC-ZJUUUORDSA-N 0 3 222.336 2.064 10 0 BEAEHN CCn1c2cccc(F)c2nc1C(C)(C)N ZINC000040911289 172134785 /nfs/dbraw/zinc/13/47/85/172134785.db2.gz CJNFBLUFWOXCPI-UHFFFAOYSA-N 0 3 221.279 2.389 10 0 BEAEHN CCn1c(C)nnc1[C@H](N)C1CCCCC1 ZINC000042029833 172141932 /nfs/dbraw/zinc/14/19/32/172141932.db2.gz NRQCUTZHGYCZFU-LLVKDONJSA-N 0 3 222.336 2.187 10 0 BEAEHN CCn1c(CNCC2CC2)nc(C)c1C ZINC000045205787 172144773 /nfs/dbraw/zinc/14/47/73/172144773.db2.gz PKZZHJKIYIHHHD-UHFFFAOYSA-N 0 3 207.321 2.019 10 0 BEAEHN CCn1cc([C@H](N)c2ccccc2C)cn1 ZINC000043469264 172198745 /nfs/dbraw/zinc/19/87/45/172198745.db2.gz YIRZFQZPEVMYNS-ZDUSSCGKSA-N 0 3 215.300 2.260 10 0 BEAEHN CCn1cc([C@H](N)Cc2cccs2)cn1 ZINC000052900428 172199309 /nfs/dbraw/zinc/19/93/09/172199309.db2.gz BVPIOOGRRXCOBC-LLVKDONJSA-N 0 3 221.329 2.207 10 0 BEAEHN CCn1ccnc1NCCCCCC(=O)OC ZINC000050614541 172227576 /nfs/dbraw/zinc/22/75/76/172227576.db2.gz WVQDMBLMGUFGGE-UHFFFAOYSA-N 0 3 239.319 2.048 10 0 BEAEHN CN(C)C(=O)c1ccc(CN2CCCC2(C)C)[nH]1 ZINC000127264184 172389750 /nfs/dbraw/zinc/38/97/50/172389750.db2.gz YDNKXXRZUARIKQ-UHFFFAOYSA-N 0 3 249.358 2.091 10 0 BEAEHN CN(CC(C)(C)C)c1ncc(CN)s1 ZINC000054898070 172624858 /nfs/dbraw/zinc/62/48/58/172624858.db2.gz VLIHGHNWONSOFD-UHFFFAOYSA-N 0 3 213.350 2.084 10 0 BEAEHN CN1CCC[C@H]1COc1ccccc1F ZINC000026385797 173057014 /nfs/dbraw/zinc/05/70/14/173057014.db2.gz UELUMOSZAMWYGU-JTQLQIEISA-N 0 3 209.264 2.299 10 0 BEAEHN CN1CCC[C@H]1CNc1ncnc2ccccc21 ZINC000049099954 173057585 /nfs/dbraw/zinc/05/75/85/173057585.db2.gz NWCFLQPUDWLRDP-NSHDSACASA-N 0 3 242.326 2.136 10 0 BEAEHN CN1CC[C@@H](Nc2ccc(N)cc2Cl)C1 ZINC000042545185 173125279 /nfs/dbraw/zinc/12/52/79/173125279.db2.gz RGKOJWKJJNZBKB-SECBINFHSA-N 0 3 225.723 2.038 10 0 BEAEHN CN1CC[C@@H](Nc2cccc(F)c2F)C1 ZINC000061989384 173126217 /nfs/dbraw/zinc/12/62/17/173126217.db2.gz KHUKXSKTSMMBBE-MRVPVSSYSA-N 0 3 212.243 2.081 10 0 BEAEHN CN1CC[C@@](O)(c2cccc3ccccc32)C1 ZINC000061987206 173138129 /nfs/dbraw/zinc/13/81/29/173138129.db2.gz HBMKNIIYEZHSLK-HNNXBMFYSA-N 0 3 227.307 2.363 10 0 BEAEHN CN1CC[C@H](N2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000116281230 173150333 /nfs/dbraw/zinc/15/03/33/173150333.db2.gz QRKSGEHHBZLVAD-ZFWWWQNUSA-N 0 3 248.370 2.039 10 0 BEAEHN CN1CC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000061984627 173153815 /nfs/dbraw/zinc/15/38/15/173153815.db2.gz WGIJJKCLLZFPQO-VIFPVBQESA-N 0 3 212.243 2.081 10 0 BEAEHN CN1CC[C@H](Nc2cc(F)ccc2F)C1 ZINC000061984563 173154430 /nfs/dbraw/zinc/15/44/30/173154430.db2.gz ZHISCPLMJVOUFC-VIFPVBQESA-N 0 3 212.243 2.081 10 0 BEAEHN C[N@@H+]1CC[C@H](c2c[nH]c3cccc([O-])c32)C1 ZINC000013801326 173156119 /nfs/dbraw/zinc/15/61/19/173156119.db2.gz DZKMCQNELDTDGP-VIFPVBQESA-N 0 3 216.284 2.293 10 0 BEAEHN C[N@H+]1CC[C@H](c2c[nH]c3cccc([O-])c32)C1 ZINC000013801326 173156123 /nfs/dbraw/zinc/15/61/23/173156123.db2.gz DZKMCQNELDTDGP-VIFPVBQESA-N 0 3 216.284 2.293 10 0 BEAEHN CN1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000082807628 173167340 /nfs/dbraw/zinc/16/73/40/173167340.db2.gz SUBBJXCKLBEEER-UHFFFAOYSA-N 0 3 231.274 2.204 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(F)cc1C ZINC000061300228 173318291 /nfs/dbraw/zinc/31/82/91/173318291.db2.gz ASGPNCQQMJDHSJ-UHFFFAOYSA-N 0 3 224.279 2.071 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(C)cc1F ZINC000061300321 173318403 /nfs/dbraw/zinc/31/84/03/173318403.db2.gz WXDCAMRNQKNTJA-UHFFFAOYSA-N 0 3 224.279 2.071 10 0 BEAEHN CNC(C)(C)C(=O)Nc1ccc(C)c(C)c1 ZINC000061300252 173318595 /nfs/dbraw/zinc/31/85/95/173318595.db2.gz YGRWXWFWYYRZSF-UHFFFAOYSA-N 0 3 220.316 2.240 10 0 BEAEHN CNC(C)(C)C(=O)Nc1cccc2cnccc21 ZINC000061300739 173319775 /nfs/dbraw/zinc/31/97/75/173319775.db2.gz QPMNILWGBZPHHJ-UHFFFAOYSA-N 0 3 243.310 2.171 10 0 BEAEHN CNC(C)(C)c1nc2cc(F)ccc2n1C ZINC000061149805 173321029 /nfs/dbraw/zinc/32/10/29/173321029.db2.gz PQXBNAUQFMDHPK-UHFFFAOYSA-N 0 3 221.279 2.167 10 0 BEAEHN CNCC(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000083906079 173326029 /nfs/dbraw/zinc/32/60/29/173326029.db2.gz QVHCYFQXMPYPBF-CQSZACIVSA-N 0 3 246.354 2.186 10 0 BEAEHN CNCc1c(C)nn(-c2ccc(OC)cc2)c1C ZINC000062986672 173384418 /nfs/dbraw/zinc/38/44/18/173384418.db2.gz ASJPXVKWVDLFCB-UHFFFAOYSA-N 0 3 245.326 2.217 10 0 BEAEHN CNCc1c(N2CCC[C@@H]2C)nc2ccccn21 ZINC000037911841 173385215 /nfs/dbraw/zinc/38/52/15/173385215.db2.gz LTHPWHHNZVJMOD-NSHDSACASA-N 0 3 244.342 2.042 10 0 BEAEHN CNCc1c(Cl)cccc1-n1ccnc1 ZINC000034825248 173385218 /nfs/dbraw/zinc/38/52/18/173385218.db2.gz XKFHGBBUOXRSCY-UHFFFAOYSA-N 0 3 221.691 2.245 10 0 BEAEHN CNCc1ccc(OC[C@@H]2CC=CC[C@H]2C)nn1 ZINC000051543061 173388830 /nfs/dbraw/zinc/38/88/30/173388830.db2.gz QRHZMADNJPTQCK-NEPJUHHUSA-N 0 3 247.342 2.177 10 0 BEAEHN CNCc1cccc(OC)c1OC(F)F ZINC000035099557 173389436 /nfs/dbraw/zinc/38/94/36/173389436.db2.gz YIXWZKJUPCPTLG-UHFFFAOYSA-N 0 3 217.215 2.016 10 0 BEAEHN CNCc1cccc(NC(=O)c2ccoc2)c1 ZINC000036282445 173389598 /nfs/dbraw/zinc/38/95/98/173389598.db2.gz SZJGLPGPJYBGNG-UHFFFAOYSA-N 0 3 230.267 2.251 10 0 BEAEHN CNCc1ccccc1[C@@H](O)c1ccccc1 ZINC000082293933 173390499 /nfs/dbraw/zinc/39/04/99/173390499.db2.gz OOJAOGKXAKBVSY-HNNXBMFYSA-N 0 3 227.307 2.488 10 0 BEAEHN CNCc1cnc(N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000054899692 173392061 /nfs/dbraw/zinc/39/20/61/173392061.db2.gz FTSKHYNBSXNPNE-NXEZZACHSA-N 0 3 239.388 2.345 10 0 BEAEHN CNCc1cnc(-c2ncccc2C)s1 ZINC000043616972 173392550 /nfs/dbraw/zinc/39/25/50/173392550.db2.gz UJZLYXYRKHLBKW-UHFFFAOYSA-N 0 3 219.313 2.233 10 0 BEAEHN CNCc1cnc(Cc2ccccc2Cl)nc1 ZINC000054855478 173392589 /nfs/dbraw/zinc/39/25/89/173392589.db2.gz WAAUHGFOHLXMJL-UHFFFAOYSA-N 0 3 247.729 2.440 10 0 BEAEHN CNCc1cnn(Cc2ccccc2Cl)c1 ZINC000049932779 173393025 /nfs/dbraw/zinc/39/30/25/173393025.db2.gz BHOZPZSALMCKCL-UHFFFAOYSA-N 0 3 235.718 2.304 10 0 BEAEHN CNCc1cnn(-c2ccccc2Cl)c1 ZINC000040932520 173393317 /nfs/dbraw/zinc/39/33/17/173393317.db2.gz IERASQUKDIGTJW-UHFFFAOYSA-N 0 3 221.691 2.245 10 0 BEAEHN CNCc1cnn(Cc2cccc(C)c2)c1C ZINC000071192631 173393523 /nfs/dbraw/zinc/39/35/23/173393523.db2.gz DKHHOJMUIIIIOF-UHFFFAOYSA-N 0 3 229.327 2.268 10 0 BEAEHN CNCc1nc(-c2ccc(C)cc2)c(C)[nH]1 ZINC000036877297 173395208 /nfs/dbraw/zinc/39/52/08/173395208.db2.gz PNWIHUXYDKOXCE-UHFFFAOYSA-N 0 3 215.300 2.413 10 0 BEAEHN CNCc1nc2c(s1)Cc1ccccc1-2 ZINC000045205972 173396808 /nfs/dbraw/zinc/39/68/08/173396808.db2.gz KMCCGOAZAZOQGI-UHFFFAOYSA-N 0 3 216.309 2.434 10 0 BEAEHN CNCc1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000036877237 173398069 /nfs/dbraw/zinc/39/80/69/173398069.db2.gz RXSOJLCZPDHWAI-UHFFFAOYSA-N 0 3 223.226 2.074 10 0 BEAEHN CNCc1oc(Cn2nc(C)c(C)c2C)cc1C ZINC000052591838 173399963 /nfs/dbraw/zinc/39/99/63/173399963.db2.gz XWBRYHKBHKJAAI-UHFFFAOYSA-N 0 3 247.342 2.477 10 0 BEAEHN CN[C@@H](Cc1ccc(F)cc1F)c1cnccn1 ZINC000050886133 173424784 /nfs/dbraw/zinc/42/47/84/173424784.db2.gz RVNUIZCXXJKSGV-LBPRGKRZSA-N 0 3 249.264 2.258 10 0 BEAEHN COC1CCN(Cc2cccc3c2NCC3)CC1 ZINC000130482840 174030158 /nfs/dbraw/zinc/03/01/58/174030158.db2.gz XBOPTASBFSNXBI-UHFFFAOYSA-N 0 3 246.354 2.265 10 0 BEAEHN COCCCNCc1nc2ccccc2s1 ZINC000037977644 174247926 /nfs/dbraw/zinc/24/79/26/174247926.db2.gz LFGTXSFIDPCCQL-UHFFFAOYSA-N 0 3 236.340 2.422 10 0 BEAEHN COCCN(C)C[C@@H](C)C(=O)c1ccccc1 ZINC000053936480 174279334 /nfs/dbraw/zinc/27/93/34/174279334.db2.gz VXEHWUOQSYQLBD-GFCCVEGCSA-N 0 3 235.327 2.084 10 0 BEAEHN COCCN(CC(=O)C(C)(C)C)[C@@H](C)C1CC1 ZINC000042680724 174285353 /nfs/dbraw/zinc/28/53/53/174285353.db2.gz HLAYDZVFAZIQNT-NSHDSACASA-N 0 3 241.375 2.349 10 0 BEAEHN COCCN(C[C@@H]1C[C@H](C)CCC1=O)C1CC1 ZINC000053929351 174296988 /nfs/dbraw/zinc/29/69/88/174296988.db2.gz GSOHDHARTMVIFB-NEPJUHHUSA-N 0 3 239.359 2.103 10 0 BEAEHN COCCN(C[C@@H]1C[C@@H](C)CCC1=O)C1CC1 ZINC000053929353 174297790 /nfs/dbraw/zinc/29/77/90/174297790.db2.gz GSOHDHARTMVIFB-RYUDHWBXSA-N 0 3 239.359 2.103 10 0 BEAEHN COCCN[C@@H]1CSCc2ccccc21 ZINC000037186449 174339393 /nfs/dbraw/zinc/33/93/93/174339393.db2.gz IUKUHNPLAGOYAQ-GFCCVEGCSA-N 0 3 223.341 2.211 10 0 BEAEHN COCC[C@@H](N)c1nc(-c2cccc(F)c2)c[nH]1 ZINC000052811156 174393371 /nfs/dbraw/zinc/39/33/71/174393371.db2.gz HRUWNXUOBCOELB-LLVKDONJSA-N 0 3 249.289 2.252 10 0 BEAEHN COC[C@H](C)NCc1cnc(CC(C)C)s1 ZINC000125051487 174549763 /nfs/dbraw/zinc/54/97/63/174549763.db2.gz KBMORWBGIPHOTL-JTQLQIEISA-N 0 3 242.388 2.466 10 0 BEAEHN CON(C)[C@H](c1ccc(Cl)s1)[C@@H](C)N ZINC000043252995 174659883 /nfs/dbraw/zinc/65/98/83/174659883.db2.gz DLNIIJDVLGKCSO-MUWHJKNJSA-N 0 3 234.752 2.283 10 0 BEAEHN COc1cc(OC)c2c(c1)C(C)(C)CNC2 ZINC000057513789 175008672 /nfs/dbraw/zinc/00/86/72/175008672.db2.gz LKMZMIRUCHLVCE-UHFFFAOYSA-N 0 3 221.300 2.085 10 0 BEAEHN COc1cc2c(cc1OC)C1(CCC1)C(=N)N2 ZINC000103244964 175024167 /nfs/dbraw/zinc/02/41/67/175024167.db2.gz ZUCBRYGODKLTPZ-UHFFFAOYSA-N 0 3 232.283 2.128 10 0 BEAEHN COc1cc2c(cc1OC)[C@@H](C)N[C@@H](C)C2 ZINC000082785502 175025878 /nfs/dbraw/zinc/02/58/78/175025878.db2.gz PWKFIIODJAWALD-DTWKUNHWSA-N 0 3 221.300 2.299 10 0 BEAEHN COc1ccc(-c2nc(CN)cs2)cc1F ZINC000071548676 175039330 /nfs/dbraw/zinc/03/93/30/175039330.db2.gz AJTOBXUCYICAKS-UHFFFAOYSA-N 0 3 238.287 2.417 10 0 BEAEHN COc1ccc(C(=O)c2ccc(CN)cc2)cc1 ZINC000019779682 175066107 /nfs/dbraw/zinc/06/61/07/175066107.db2.gz VAHRIUMMZLTULH-UHFFFAOYSA-N 0 3 241.290 2.385 10 0 BEAEHN COc1ccc(C(=O)[C@H]2CCCCN2)cc1C ZINC000058327588 175066356 /nfs/dbraw/zinc/06/63/56/175066356.db2.gz UZUJCUKKCACHQG-GFCCVEGCSA-N 0 3 233.311 2.328 10 0 BEAEHN COc1ccc(C)cc1NC(=O)[C@H]1CCCCN1 ZINC000019409863 175077743 /nfs/dbraw/zinc/07/77/43/175077743.db2.gz NMWQNOGBYGLKQY-LLVKDONJSA-N 0 3 248.326 2.084 10 0 BEAEHN COc1ccc(C)cc1N[C@@H]1CCN(C)C1 ZINC000061984611 175078741 /nfs/dbraw/zinc/07/87/41/175078741.db2.gz GPDWXCOYVKNZON-LLVKDONJSA-N 0 3 220.316 2.120 10 0 BEAEHN COc1ccc(C)cc1[C@H](N)CN1CCC[C@@H]1C ZINC000037910607 175082222 /nfs/dbraw/zinc/08/22/22/175082222.db2.gz IRVXNLMDNYTGGQ-GXTWGEPZSA-N 0 3 248.370 2.488 10 0 BEAEHN COc1ccc(CCN[C@@H](C)c2cc[nH]n2)cc1 ZINC000037906451 175091245 /nfs/dbraw/zinc/09/12/45/175091245.db2.gz YVCKGTUKTDBBTO-NSHDSACASA-N 0 3 245.326 2.312 10 0 BEAEHN COc1ccc(CCN[C@H](C)c2cc[nH]n2)cc1 ZINC000037906452 175092899 /nfs/dbraw/zinc/09/28/99/175092899.db2.gz YVCKGTUKTDBBTO-LLVKDONJSA-N 0 3 245.326 2.312 10 0 BEAEHN COc1ccc(CN)c(OC2CCCC2)c1 ZINC000040888158 175096873 /nfs/dbraw/zinc/09/68/73/175096873.db2.gz MKELBHHNHHGOFB-UHFFFAOYSA-N 0 3 221.300 2.475 10 0 BEAEHN COc1ccc(COc2ccc(CN)cn2)cc1 ZINC000019965610 175114565 /nfs/dbraw/zinc/11/45/65/175114565.db2.gz KJQIRMKXMHWFKM-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1ccc(F)cc1CN[C@H]1C[C@@H]1C ZINC000291290062 175129569 /nfs/dbraw/zinc/12/95/69/175129569.db2.gz VNFVLNUMTFVFBN-KWQFWETISA-N 0 3 209.264 2.332 10 0 BEAEHN COc1ccc(F)cc1[C@H](N)[C@@H]1CCCOC1 ZINC000062230749 175134172 /nfs/dbraw/zinc/13/41/72/175134172.db2.gz KROJTLYVVPAFCR-NOZJJQNGSA-N 0 3 239.290 2.261 10 0 BEAEHN COc1ccc(F)cc1[C@H](N)[C@@H]1CCCO1 ZINC000034957121 175134769 /nfs/dbraw/zinc/13/47/69/175134769.db2.gz YFNJZZIQNWWDQN-RYUDHWBXSA-N 0 3 225.263 2.013 10 0 BEAEHN COc1ccc(N(C)c2ncc(CN)s2)cc1 ZINC000054897580 175136171 /nfs/dbraw/zinc/13/61/71/175136171.db2.gz CLKKGDBUHGIFKJ-UHFFFAOYSA-N 0 3 249.339 2.378 10 0 BEAEHN COc1ccc(NC(=O)[C@@H]2CCCCN2)cc1C ZINC000049531971 175145763 /nfs/dbraw/zinc/14/57/63/175145763.db2.gz QKWNBYMYYPALPY-LBPRGKRZSA-N 0 3 248.326 2.084 10 0 BEAEHN COc1ccc(NC(=O)[C@H]2CCCCN2)cc1C ZINC000049531972 175146622 /nfs/dbraw/zinc/14/66/22/175146622.db2.gz QKWNBYMYYPALPY-GFCCVEGCSA-N 0 3 248.326 2.084 10 0 BEAEHN COc1ccc(NC(=O)[C@@](C)(N)C2CC2)c(C)c1 ZINC000061568196 175146631 /nfs/dbraw/zinc/14/66/31/175146631.db2.gz ZLAIYFFIUKFRJB-AWEZNQCLSA-N 0 3 248.326 2.070 10 0 BEAEHN COc1ccc(NCCN(C)C)cc1Cl ZINC000020041199 175150580 /nfs/dbraw/zinc/15/05/80/175150580.db2.gz IVFANUDNNAKDBC-UHFFFAOYSA-N 0 3 228.723 2.322 10 0 BEAEHN COc1ccc(N[C@H]2CCN(C)C2)cc1Cl ZINC000061984501 175155282 /nfs/dbraw/zinc/15/52/82/175155282.db2.gz JISPCNMADPARFC-JTQLQIEISA-N 0 3 240.734 2.465 10 0 BEAEHN COc1ccc([C@@H](N)c2cccn2C)cc1 ZINC000011848697 175180193 /nfs/dbraw/zinc/18/01/93/175180193.db2.gz ZGTCQHNIYNWHCC-CYBMUJFWSA-N 0 3 216.284 2.082 10 0 BEAEHN COc1ccc([C@@](C)(N)c2cncc(F)c2)cc1 ZINC000049576010 175186235 /nfs/dbraw/zinc/18/62/35/175186235.db2.gz HIWRUDNTGRJVEU-CQSZACIVSA-N 0 3 246.285 2.452 10 0 BEAEHN COc1ccc([C@H](N)CSC)cc1F ZINC000055264805 175191818 /nfs/dbraw/zinc/19/18/18/175191818.db2.gz WRODLFMFJOFPGV-SECBINFHSA-N 0 3 215.293 2.197 10 0 BEAEHN COc1ccc([C@H](N)[C@H]2CCCCO2)cc1 ZINC000050960631 175192031 /nfs/dbraw/zinc/19/20/31/175192031.db2.gz NHXUGZQWFDXBTC-OLZOCXBDSA-N 0 3 221.300 2.264 10 0 BEAEHN COc1ccc([C@H]2CSCCN2)cc1F ZINC000041248315 175197035 /nfs/dbraw/zinc/19/70/35/175197035.db2.gz QBDSAXAOIMUVSF-SNVBAGLBSA-N 0 3 227.304 2.212 10 0 BEAEHN COc1ccc([C@](C)(N)c2cncc(F)c2)cc1 ZINC000049576011 175199799 /nfs/dbraw/zinc/19/97/99/175199799.db2.gz HIWRUDNTGRJVEU-AWEZNQCLSA-N 0 3 246.285 2.452 10 0 BEAEHN COc1ccc2c(c1)nc([C@@H]1CCCCN1)n2C ZINC000075869225 175219994 /nfs/dbraw/zinc/21/99/94/175219994.db2.gz AKKBPEHLGIVLQA-NSHDSACASA-N 0 3 245.326 2.397 10 0 BEAEHN COc1ccc2c(c1)nc([C@@H](N)C(C)C)n2C ZINC000075854249 175220116 /nfs/dbraw/zinc/22/01/16/175220116.db2.gz WHANWLKSPWMCBJ-LBPRGKRZSA-N 0 3 233.315 2.238 10 0 BEAEHN COc1cccc(-c2cncc(CN)c2)c1 ZINC000082642477 175234843 /nfs/dbraw/zinc/23/48/43/175234843.db2.gz GJUUKNYKIRPRRR-UHFFFAOYSA-N 0 3 214.268 2.216 10 0 BEAEHN COc1cccc(COc2ccnc(CN)c2)c1 ZINC000051522453 175269889 /nfs/dbraw/zinc/26/98/89/175269889.db2.gz RZVQYCRPLVKJTK-UHFFFAOYSA-N 0 3 244.294 2.128 10 0 BEAEHN COc1cccc(OC)c1CN[C@H]1C[C@@H]1C ZINC000286721588 175281648 /nfs/dbraw/zinc/28/16/48/175281648.db2.gz XHNOHWXSXCKKSF-ONGXEEELSA-N 0 3 221.300 2.202 10 0 BEAEHN COc1cccc([C@H]2CNCCS2)c1 ZINC000041218903 175295650 /nfs/dbraw/zinc/29/56/50/175295650.db2.gz UZPFXPXQLTUAKF-LLVKDONJSA-N 0 3 209.314 2.073 10 0 BEAEHN COc1cccc2c1OC(C)(C)C[C@@H]2N ZINC000082377930 175303888 /nfs/dbraw/zinc/30/38/88/175303888.db2.gz RYBMZXJFUOLJOV-VIFPVBQESA-N 0 3 207.273 2.256 10 0 BEAEHN COc1cccc2c1OC[C@@H]2NC(C)C ZINC000035652573 175304920 /nfs/dbraw/zinc/30/49/20/175304920.db2.gz HYQLFUFOYCMHPF-JTQLQIEISA-N 0 3 207.273 2.127 10 0 BEAEHN COc1ccccc1CN1CCC[C@H](O)[C@H]1C ZINC000294930709 175327257 /nfs/dbraw/zinc/32/72/57/175327257.db2.gz GFJMSGGDEGSOQI-YPMHNXCESA-N 0 3 235.327 2.040 10 0 BEAEHN COc1ccccc1[C@@H](CN)N(C)CC1CC1 ZINC000020225780 175346287 /nfs/dbraw/zinc/34/62/87/175346287.db2.gz MYJYRISYEWYOTQ-CYBMUJFWSA-N 0 3 234.343 2.037 10 0 BEAEHN COc1ccccc1[C@@H](N)Cn1cnc(C)c1C ZINC000051926539 175347048 /nfs/dbraw/zinc/34/70/48/175347048.db2.gz TWGYJPJBIOHGOA-ZDUSSCGKSA-N 0 3 245.326 2.209 10 0 BEAEHN COc1ccccc1[C@@H](N)CN1CCC(C)CC1 ZINC000023067747 175347921 /nfs/dbraw/zinc/34/79/21/175347921.db2.gz DXKYYBWUFIBTNT-AWEZNQCLSA-N 0 3 248.370 2.427 10 0 BEAEHN COc1ccccc1[C@@H](N)CN1CCC[C@H]1C ZINC000037910671 175347949 /nfs/dbraw/zinc/34/79/49/175347949.db2.gz IKGAVYOSMPTZKE-YPMHNXCESA-N 0 3 234.343 2.179 10 0 BEAEHN COc1ccccc1[C@H](N)c1cccnc1 ZINC000037466406 175353213 /nfs/dbraw/zinc/35/32/13/175353213.db2.gz SPJBTAMBMVFZBA-CYBMUJFWSA-N 0 3 214.268 2.138 10 0 BEAEHN COc1ccnc(CNCCC(C)C)c1OC ZINC000058824398 175359994 /nfs/dbraw/zinc/35/99/94/175359994.db2.gz QRLGKMZBCBTZKX-UHFFFAOYSA-N 0 3 238.331 2.235 10 0 BEAEHN C[C@@H](NCc1nccn1C)C1CCCCC1 ZINC000052334152 175908691 /nfs/dbraw/zinc/90/86/91/175908691.db2.gz XKWHNGNNOKMKIC-LLVKDONJSA-N 0 3 221.348 2.479 10 0 BEAEHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1cncc(F)c1 ZINC000222685315 175916369 /nfs/dbraw/zinc/91/63/69/175916369.db2.gz GGUFGWTXZDHXGN-KBVBSXBZSA-N 0 3 224.279 2.049 10 0 BEAEHN C[C@@H](c1cccs1)N(C)C(=O)C(C)(C)N ZINC000040923972 176032406 /nfs/dbraw/zinc/03/24/06/176032406.db2.gz DYJRSFIGACKGCH-QMMMGPOBSA-N 0 3 226.345 2.005 10 0 BEAEHN C[C@@H](c1ccco1)N1CCC(CO)CC1 ZINC000074154843 176032821 /nfs/dbraw/zinc/03/28/21/176032821.db2.gz KWFUASMUGDQTFW-JTQLQIEISA-N 0 3 209.289 2.045 10 0 BEAEHN C[C@@H]1CCCN1c1ncc(CN)cc1Cl ZINC000051396086 176111858 /nfs/dbraw/zinc/11/18/58/176111858.db2.gz HYHGDMKHCVRJPO-MRVPVSSYSA-N 0 3 225.723 2.182 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000120515117 176112219 /nfs/dbraw/zinc/11/22/19/176112219.db2.gz DUKUEAQWZXREPT-UPJWGTAASA-N 0 3 238.375 2.023 10 0 BEAEHN C[C@@H]1CCC[C@@H](C(=O)NCC2CCCCC2)N1 ZINC000037260046 176112447 /nfs/dbraw/zinc/11/24/47/176112447.db2.gz VFFRHJHIGQRLPQ-YPMHNXCESA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@@H]1CCC[C@@H](NCc2nccn2C)[C@@H]1C ZINC000036804641 176124063 /nfs/dbraw/zinc/12/40/63/176124063.db2.gz YKEVKKSZDXCMAY-IJLUTSLNSA-N 0 3 221.348 2.334 10 0 BEAEHN C[C@@H]1CCC[C@@H](Oc2ncccc2CN)C1 ZINC000026514759 176125447 /nfs/dbraw/zinc/12/54/47/176125447.db2.gz HICORWTVYGLNKO-ZYHUDNBSSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)N(C)C2CCCCC2)N1 ZINC000019514192 176135245 /nfs/dbraw/zinc/13/52/45/176135245.db2.gz IDLATLGKYILAAP-DGCLKSJQSA-N 0 3 238.375 2.308 10 0 BEAEHN C[C@@H]1CCC[C@H](C(=O)NCC2CCCCC2)N1 ZINC000037260042 176135721 /nfs/dbraw/zinc/13/57/21/176135721.db2.gz VFFRHJHIGQRLPQ-DGCLKSJQSA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@@H]1CCC[C@H](N2CCC(=O)CC2)[C@@H]1C ZINC000019436655 176140431 /nfs/dbraw/zinc/14/04/31/176140431.db2.gz PIMWGAJFYCFNOK-WZRBSPASSA-N 0 3 209.333 2.476 10 0 BEAEHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@](C)(N)C2CC2)C1 ZINC000042495033 176140503 /nfs/dbraw/zinc/14/05/03/176140503.db2.gz AXAMRHGNHTVROJ-SCDSUCTJSA-N 0 3 238.375 2.151 10 0 BEAEHN C[C@@H]1CC[C@@H](CN2CCC(c3cc[nH]n3)CC2)O1 ZINC000188579689 176203954 /nfs/dbraw/zinc/20/39/54/176203954.db2.gz GMJQRLGZOMEXHW-YPMHNXCESA-N 0 3 249.358 2.157 10 0 BEAEHN C[C@@H]1CN(C(=O)OCc2ccccc2)CCCN1 ZINC000059327492 176253722 /nfs/dbraw/zinc/25/37/22/176253722.db2.gz JOINYCKVHXRGDV-GFCCVEGCSA-N 0 3 248.326 2.007 10 0 BEAEHN C[C@@H]1CN(C)[C@H](c2ccc(Cl)s2)CN1 ZINC000083357743 176280156 /nfs/dbraw/zinc/28/01/56/176280156.db2.gz IRQJBLSDICWGBB-SFYZADRCSA-N 0 3 230.764 2.366 10 0 BEAEHN C[C@@H]1CN(CCCNc2ccccc2)CCN1C ZINC000104132448 176290133 /nfs/dbraw/zinc/29/01/33/176290133.db2.gz TWNIJFLASWCRLA-CQSZACIVSA-N 0 3 247.386 2.125 10 0 BEAEHN C[C@@H]1C[C@@H]1NCc1cn2cc(Cl)ccc2n1 ZINC000096543936 176404976 /nfs/dbraw/zinc/40/49/76/176404976.db2.gz SIIUOEUBYMJLQG-KCJUWKMLSA-N 0 3 235.718 2.486 10 0 BEAEHN C[C@H](O)c1ccccc1OCCN1CCCC1 ZINC000035626939 177017758 /nfs/dbraw/zinc/01/77/58/177017758.db2.gz VBQZXYAPEOAXAH-LBPRGKRZSA-N 0 3 235.327 2.215 10 0 BEAEHN C[C@H]1CCCC[C@H]1CNCc1nccn1C ZINC000042862416 177085870 /nfs/dbraw/zinc/08/58/70/177085870.db2.gz DUKNSLJYPYHOGU-RYUDHWBXSA-N 0 3 221.348 2.336 10 0 BEAEHN C[C@H]1CCCC[C@H]1NCc1ccncn1 ZINC000054788662 177088687 /nfs/dbraw/zinc/08/86/87/177088687.db2.gz JETFDLPEBCNVBU-CMPLNLGQSA-N 0 3 205.305 2.145 10 0 BEAEHN C[C@H]1CCCC[C@H]1Oc1ncccc1CN ZINC000019280160 177090425 /nfs/dbraw/zinc/09/04/25/177090425.db2.gz LEARJVQTAZHKKP-CMPLNLGQSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@H]1CCC[C@@H](C(=O)N(C)c2ccccc2)N1 ZINC000019480170 177112901 /nfs/dbraw/zinc/11/29/01/177112901.db2.gz RSCSVPBVYQWVLN-AAEUAGOBSA-N 0 3 232.327 2.180 10 0 BEAEHN C[C@H]1CCC[C@H](C(=O)NCC2CCCCC2)N1 ZINC000037260044 177129461 /nfs/dbraw/zinc/12/94/61/177129461.db2.gz VFFRHJHIGQRLPQ-WCQYABFASA-N 0 3 238.375 2.214 10 0 BEAEHN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000019413403 177136356 /nfs/dbraw/zinc/13/63/56/177136356.db2.gz ACNUPMPSFVQKQM-RNJOBUHISA-N 0 3 238.375 2.069 10 0 BEAEHN C[C@H]1CCC[C@H](Oc2cccc(CN)n2)C1 ZINC000051542215 177138986 /nfs/dbraw/zinc/13/89/86/177138986.db2.gz ALZZHSAXWVSHEJ-JQWIXIFHSA-N 0 3 220.316 2.498 10 0 BEAEHN C[C@@H]1CN[C@@H](C)CN1C(=O)OCc1ccccc1 ZINC000034109320 177221958 /nfs/dbraw/zinc/22/19/58/177221958.db2.gz HDMXGKDIDQZITN-NWDGAFQWSA-N 0 3 248.326 2.005 10 0 BEAEHN C[C@H]1CN(CC2CC(F)(F)C2)CCS1 ZINC000336187435 177245344 /nfs/dbraw/zinc/24/53/44/177245344.db2.gz AONYJGINVUXGHJ-QMMMGPOBSA-N 0 3 221.316 2.469 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000284215359 177349938 /nfs/dbraw/zinc/34/99/38/177349938.db2.gz CLOVHIIRWIGOPW-ONGXEEELSA-N 0 3 219.332 2.272 10 0 BEAEHN C[C@H]1C[C@@H]1NCc1ccc(-c2cc[nH]n2)o1 ZINC000278661159 177350316 /nfs/dbraw/zinc/35/03/16/177350316.db2.gz NHUXRFAOUUZMTI-KWQFWETISA-N 0 3 217.272 2.168 10 0 BEAEHN C[C@H]1C[C@H](NCCn2cncn2)c2ccccc21 ZINC000288536567 177370761 /nfs/dbraw/zinc/37/07/61/177370761.db2.gz ADNZNMMIMZFAAL-FZMZJTMJSA-N 0 3 242.326 2.116 10 0 BEAEHN C[C@]1(CN2CCN3CCC[C@@H]3C2)CCCS1 ZINC000087794128 487688575 /nfs/dbraw/zinc/68/85/75/487688575.db2.gz IBSDPYGDUNCBNZ-CHWSQXEVSA-N 0 3 240.416 2.052 10 0 BEAEHN CCC[C@@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000036873479 487689573 /nfs/dbraw/zinc/68/95/73/487689573.db2.gz LGSSAJMQTARUOD-XQQFMLRXSA-N 0 3 238.375 2.295 10 0 BEAEHN CCC[C@H]1C[C@@H]1NC(=O)Nc1cccc(CN)c1 ZINC000233385878 487713011 /nfs/dbraw/zinc/71/30/11/487713011.db2.gz ZLRAISBCGPSHIN-AAEUAGOBSA-N 0 3 247.342 2.455 10 0 BEAEHN C[C@H](c1ccccc1)n1cc(C(C)(C)N)nn1 ZINC000078627575 487865651 /nfs/dbraw/zinc/86/56/51/487865651.db2.gz IDWCIIJUNHQABS-SNVBAGLBSA-N 0 3 230.315 2.081 10 0 BEAEHN CC(C)[C@@H]1CNCCN1c1ncccc1Cl ZINC000083367683 487905072 /nfs/dbraw/zinc/90/50/72/487905072.db2.gz RXDTYXJJCWTSDY-NSHDSACASA-N 0 3 239.750 2.169 10 0 BEAEHN CCC[C@H](C(=O)NCC1(C(C)C)CC1)N(C)C ZINC000152871482 323049088 /nfs/dbraw/zinc/04/90/88/323049088.db2.gz OGFNEUADIIJIFF-GFCCVEGCSA-N 0 3 240.391 2.269 10 0 BEAEHN CN1CCC[C@H]1CNc1ncnc2ccsc21 ZINC000049099919 323157616 /nfs/dbraw/zinc/15/76/16/323157616.db2.gz AMHJEARICMWSBG-VIFPVBQESA-N 0 3 248.355 2.197 10 0 BEAEHN C[C@H]1CC(C)(C)C[C@@](N)(c2ncc[nH]2)C1 ZINC000521402111 323201033 /nfs/dbraw/zinc/20/10/33/323201033.db2.gz VLQQUOXDKUDNEY-JOYOIKCWSA-N 0 3 207.321 2.410 10 0 BEAEHN CCC[C@@H](C)N(C)CC(=O)NC(C)(C)C ZINC000042147508 323244056 /nfs/dbraw/zinc/24/40/56/323244056.db2.gz JKYVXPXEMNMAMT-SNVBAGLBSA-N 0 3 214.353 2.022 10 0 BEAEHN CC[C@H](C)c1nc2n(c1CN)CCCC2 ZINC000536956371 323967284 /nfs/dbraw/zinc/96/72/84/323967284.db2.gz ZYMYDYPXNOHBOB-VIFPVBQESA-N 0 3 207.321 2.192 10 0 BEAEHN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CNC1CC1 ZINC000132141227 325201285 /nfs/dbraw/zinc/20/12/85/325201285.db2.gz YSAAMISNZSUTSY-STQMWFEESA-N 0 3 238.375 2.069 10 0 BEAEHN CCCn1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000132426809 325216009 /nfs/dbraw/zinc/21/60/09/325216009.db2.gz TYKJGBDUUNRDIG-MCIONIFRSA-N 0 3 234.343 2.308 10 0 BEAEHN CCC[C@H](C(=O)N1CCCC(C)(C)C1)N(C)C ZINC000157173715 326259556 /nfs/dbraw/zinc/25/95/56/326259556.db2.gz ORQAWBOUYGDALZ-GFCCVEGCSA-N 0 3 240.391 2.365 10 0 BEAEHN CCc1ccc([C@H](C)NC(=O)[C@@H](C)NC)cc1 ZINC000052395683 488055461 /nfs/dbraw/zinc/05/54/61/488055461.db2.gz XPFXLFUUKITHGT-WDEREUQCSA-N 0 3 234.343 2.034 10 0 BEAEHN CC[C@@H]1CO[C@H](C)CN1C[C@H]1CCC[C@H](O)C1 ZINC000310527478 488070125 /nfs/dbraw/zinc/07/01/25/488070125.db2.gz PCOXFJCFORRWMG-RQJABVFESA-N 0 3 241.375 2.037 10 0 BEAEHN CCN1CC[C@@H](Nc2cc(C(C)(C)C)ncn2)C1 ZINC000389331672 488089521 /nfs/dbraw/zinc/08/95/21/488089521.db2.gz HUNIJMAAGCKHER-LLVKDONJSA-N 0 3 248.374 2.280 10 0 BEAEHN CN[C@H](C)C(=O)N1CCC2(CCCCC2)CC1 ZINC000061820960 487479169 /nfs/dbraw/zinc/47/91/69/487479169.db2.gz DDFZLGJINKBPPZ-GFCCVEGCSA-N 0 3 238.375 2.167 10 0 BEAEHN CCN(Cc1cncnc1)[C@H](C)C(C)C ZINC000120687297 490067121 /nfs/dbraw/zinc/06/71/21/490067121.db2.gz GSZMPBZENSLGMB-LLVKDONJSA-N 0 3 207.321 2.343 10 0 BEAEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1cncs1 ZINC000222647450 490653196 /nfs/dbraw/zinc/65/31/96/490653196.db2.gz JGVRKPDWYGORGA-LPEHRKFASA-N 0 3 226.345 2.097 10 0 BEAEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1cncc(F)c1 ZINC000222655190 490655025 /nfs/dbraw/zinc/65/50/25/490655025.db2.gz SKILEEPJFKPODK-ZWKOPEQDSA-N 0 3 238.306 2.175 10 0 BEAEHN CCC[C@@H](O)c1nc(C)c(CNC)s1 ZINC000757125767 582500832 /nfs/dbraw/zinc/50/08/32/582500832.db2.gz GAWJXBOTURGPJV-MRVPVSSYSA-N 0 3 214.334 2.004 10 0 BEAEHN CNCc1sc(C(=O)[C@@H]2C[C@H]2C)nc1C ZINC000757126918 582501326 /nfs/dbraw/zinc/50/13/26/582501326.db2.gz WSWIAWRJSUDEFT-HTRCEHHLSA-N 0 3 224.329 2.010 10 0 BEAEHN CCC1(CC)CCN[C@@]2(CCCOC2)O1 ZINC000757139754 582520158 /nfs/dbraw/zinc/52/01/58/582520158.db2.gz HFUWDFZXGLPKTR-LBPRGKRZSA-N 0 3 213.321 2.062 10 0 BEAEHN FCC1(CF)CC2(C1)NCCC1(CCC1)O2 ZINC000757143599 582523835 /nfs/dbraw/zinc/52/38/35/582523835.db2.gz DOQFBRGDSQTTSP-UHFFFAOYSA-N 0 3 231.286 2.335 10 0 BEAEHN CC(C)(C)[C@H]1CN[C@]2(CCSC2)OC1 ZINC000757153827 582539249 /nfs/dbraw/zinc/53/92/49/582539249.db2.gz XWRRCTZSSGLIGK-GXSJLCMTSA-N 0 3 215.362 2.102 10 0 BEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1ccno1 ZINC000227599928 536163101 /nfs/dbraw/zinc/16/31/01/536163101.db2.gz HDNXWJMKSMZNLL-QWHCGFSZSA-N 0 3 249.358 2.123 10 0 BEAEHN CNCc1cc(N2CC[C@@H](C)C[C@H]2C)ccn1 ZINC000051748747 536469077 /nfs/dbraw/zinc/46/90/77/536469077.db2.gz JEWNBMXEJWMFOH-VXGBXAGGSA-N 0 3 233.359 2.426 10 0 BEAEHN CCOc1ccc(CN2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401600016 528435821 /nfs/dbraw/zinc/43/58/21/528435821.db2.gz ZCQUQDYADNZWHL-TZMCWYRMSA-N 0 3 249.354 2.288 10 0 BEAEHN CCCN1CCN(c2ccccc2[C@H](C)O)CC1 ZINC000035650496 534936878 /nfs/dbraw/zinc/93/68/78/534936878.db2.gz KIRLEOVXFXMNDE-ZDUSSCGKSA-N 0 3 248.370 2.272 10 0 BEAEHN CCn1ccnc1[C@@H](Cc1ccccc1)NC ZINC000069497450 537826298 /nfs/dbraw/zinc/82/62/98/537826298.db2.gz JEYPDAQLVVKQKB-CYBMUJFWSA-N 0 3 229.327 2.406 10 0 BEAEHN CCn1ccnc1[C@H](Cc1ccccc1)NC ZINC000069497452 537826433 /nfs/dbraw/zinc/82/64/33/537826433.db2.gz JEYPDAQLVVKQKB-ZDUSSCGKSA-N 0 3 229.327 2.406 10 0 BEAEHN Cc1ccc(CNC[C@H]2CCCC[C@H]2O)o1 ZINC000077205495 566297611 /nfs/dbraw/zinc/29/76/11/566297611.db2.gz PWGIVJIRZSBIJG-DGCLKSJQSA-N 0 3 223.316 2.229 10 0 BEAEHN CCCC(=O)c1nc(C)c(CNC)s1 ZINC000757122910 582497711 /nfs/dbraw/zinc/49/77/11/582497711.db2.gz GFUJDKLIWWCMPY-UHFFFAOYSA-N 0 3 212.318 2.154 10 0 BEAEHN CCCC[C@H](O)c1nc(C)c(CNC)s1 ZINC000757124065 582499673 /nfs/dbraw/zinc/49/96/73/582499673.db2.gz BVEUKJMQEBBPLU-VIFPVBQESA-N 0 3 228.361 2.395 10 0 BEAEHN CNCc1sc(C(=O)C(C)(C)C)nc1C ZINC000757127158 582502448 /nfs/dbraw/zinc/50/24/48/582502448.db2.gz XXSSNLDPADCRRH-UHFFFAOYSA-N 0 3 226.345 2.400 10 0 BEAEHN CC(C)[C@H]1N[C@]2(CCCOC2)OCC12CCC2 ZINC000757139005 582518945 /nfs/dbraw/zinc/51/89/45/582518945.db2.gz FIENFZIWFBBLBY-TZMCWYRMSA-N 0 3 239.359 2.308 10 0 BEAEHN C1CC2(C1)CNC1(CCOCC1)OC21CCC1 ZINC000757139178 582519778 /nfs/dbraw/zinc/51/97/78/582519778.db2.gz GCRLZDLSKLKXJD-UHFFFAOYSA-N 0 3 237.343 2.206 10 0 BEAEHN c1ccc(C[C@H]2CCO[C@@]3(CCCOC3)N2)cc1 ZINC000757148540 582532925 /nfs/dbraw/zinc/53/29/25/582532925.db2.gz NNRZFUYPKRJPFL-HUUCEWRRSA-N 0 3 247.338 2.114 10 0 BEAEHN c1ccc(C[C@@H]2CCO[C@]3(CCCOC3)N2)cc1 ZINC000757148532 582533292 /nfs/dbraw/zinc/53/32/92/582533292.db2.gz NNRZFUYPKRJPFL-GJZGRUSLSA-N 0 3 247.338 2.114 10 0 BEAEHN CC[C@@H]1N[C@@H](Cc2ccccc2)CCO1 ZINC000757150175 582534315 /nfs/dbraw/zinc/53/43/15/582534315.db2.gz PFTNOMORYAEGSR-CHWSQXEVSA-N 0 3 205.301 2.344 10 0 BEAEHN CCC1(CC)O[C@]2(CCN(C)C2)NCC1(C)C ZINC000757151139 582535749 /nfs/dbraw/zinc/53/57/49/582535749.db2.gz YYPBHYNUPXJCEP-AWEZNQCLSA-N 0 3 240.391 2.223 10 0 BEAEHN CCC1(CC)CN[C@@]2(COC(C)(C)C2)OC1 ZINC000757151776 582536073 /nfs/dbraw/zinc/53/60/73/582536073.db2.gz TVQWEDPHPILVTH-CYBMUJFWSA-N 0 3 227.348 2.308 10 0 BEAEHN C[C@@H]1CC(C)(C)O[C@]2(CCCSC2)N1 ZINC000757153446 582537145 /nfs/dbraw/zinc/53/71/45/582537145.db2.gz VVGWFAVEQMMFSK-KOLCDFICSA-N 0 3 215.362 2.387 10 0 BEAEHN CC(C)(C)c1nc2ccccn2c1CN ZINC000031975668 582673479 /nfs/dbraw/zinc/67/34/79/582673479.db2.gz CGYROGUVKQXPNR-UHFFFAOYSA-N 0 3 203.289 2.091 10 0 BEAEHN CCC[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1N ZINC000675080906 583200688 /nfs/dbraw/zinc/20/06/88/583200688.db2.gz XUGZTXKKICQJRW-SWHYSGLUSA-N 0 3 246.354 2.164 10 0 BEAEHN CC/C=C(/C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123312271 585022455 /nfs/dbraw/zinc/02/24/55/585022455.db2.gz YXGRBLIKOKEWCJ-CUOXCHRPSA-N 0 3 238.375 2.284 10 0 BEAEHN CCC[C@H]1CCCN(CN2CCOC2=S)C1 ZINC000121344024 585068196 /nfs/dbraw/zinc/06/81/96/585068196.db2.gz BTHPKSVERZMPFD-NSHDSACASA-N 0 3 242.388 2.073 10 0 BEAEHN CCNCC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757159830 586430753 /nfs/dbraw/zinc/43/07/53/586430753.db2.gz QGYJLLINZFFDGN-UHFFFAOYSA-N 0 3 225.719 2.370 10 0 BEAEHN CCCCc1ccc(N)c2c1CCNC2 ZINC000757213329 586439558 /nfs/dbraw/zinc/43/95/58/586439558.db2.gz JNAAFYLOUYNQSB-UHFFFAOYSA-N 0 3 204.317 2.257 10 0 BEAEHN Cc1cc(CNCC[C@@H](C)[S@@](C)=O)c(C)o1 ZINC000122130112 589556784 /nfs/dbraw/zinc/55/67/84/589556784.db2.gz ZFAWIFNSNBSKJW-HWPZZCPQSA-N 0 3 243.372 2.143 10 0 BEAEHN Cc1cc(CN[C@@H]2CCO[C@H]2C)c(C)o1 ZINC000123716451 589776990 /nfs/dbraw/zinc/77/69/90/589776990.db2.gz CPLGLKZUHKNADP-CMPLNLGQSA-N 0 3 209.289 2.163 10 0 BEAEHN CC(C)(C)C[C@H](CO)NCc1ccoc1 ZINC000125107147 590120768 /nfs/dbraw/zinc/12/07/68/590120768.db2.gz AYSIUOQAAZHXGA-LLVKDONJSA-N 0 3 211.305 2.166 10 0 BEAEHN Cc1cc(CNC(C)(C)[C@H](C)O)c(C)o1 ZINC000127789876 590777605 /nfs/dbraw/zinc/77/76/05/590777605.db2.gz KXKUUXCWZREMNN-JTQLQIEISA-N 0 3 211.305 2.145 10 0 BEAEHN CC[C@@H](C)c1noc(-c2ccnc(CN)c2)n1 ZINC000129710981 591380002 /nfs/dbraw/zinc/38/00/02/591380002.db2.gz CLFQAPGJJLLOON-MRVPVSSYSA-N 0 3 232.287 2.104 10 0 BEAEHN c1cc(CNC[C@H]2CSCCS2)co1 ZINC000131153674 591559688 /nfs/dbraw/zinc/55/96/88/591559688.db2.gz JKAAPVGWRVICNX-JTQLQIEISA-N 0 3 229.370 2.218 10 0 BEAEHN CC(C)(CO)N[C@@H]1CCc2ccc(F)cc21 ZINC000134460342 591928931 /nfs/dbraw/zinc/92/89/31/591928931.db2.gz ZLGWCRTZWJNSRD-GFCCVEGCSA-N 0 3 223.291 2.174 10 0 BEAEHN Cc1ccccc1[C@H](O)CN1CCCO[C@@H](C)C1 ZINC000217597925 592137730 /nfs/dbraw/zinc/13/77/30/592137730.db2.gz IYWRVDXLOVGRMR-DZGCQCFKSA-N 0 3 249.354 2.139 10 0 BEAEHN OC[C@@H]1CCCC[C@@H]1N[C@H]1CCc2cccnc21 ZINC000300733149 592518451 /nfs/dbraw/zinc/51/84/51/592518451.db2.gz OGYLCQFFOPIRQG-IHRRRGAJSA-N 0 3 246.354 2.210 10 0 BEAEHN C[C@@H](NCc1sccc1Cl)[C@H](C)O ZINC000336659685 635199282 /nfs/dbraw/zinc/19/92/82/635199282.db2.gz TYUISOZZOSWSMZ-RQJHMYQMSA-N 0 3 219.737 2.260 10 0 BEAEHN CN(CCC(=O)C(C)(C)C)C[C@@H]1CCCO1 ZINC000054026618 635326703 /nfs/dbraw/zinc/32/67/03/635326703.db2.gz MMQMXUJGLNZQQH-NSHDSACASA-N 0 3 227.348 2.103 10 0 BEAEHN C1CN[C@H](c2nc([C@@H]3CCCCS3)no2)C1 ZINC000087700229 631483571 /nfs/dbraw/zinc/48/35/71/631483571.db2.gz CSANAKNVIQRWEK-IUCAKERBSA-N 0 3 239.344 2.452 10 0 BEAEHN CO[C@H]1CCC[C@H]1NCc1ccc(C)o1 ZINC000049948888 631918225 /nfs/dbraw/zinc/91/82/25/631918225.db2.gz NRDRJLYQTGZSGR-NEPJUHHUSA-N 0 3 209.289 2.245 10 0 BEAEHN CC(=O)CCN(C)Cc1cccc(C)c1 ZINC000050159076 631948557 /nfs/dbraw/zinc/94/85/57/631948557.db2.gz ZPQGFKNYKYZPGQ-UHFFFAOYSA-N 0 3 205.301 2.406 10 0 BEAEHN CO[C@H](C)[C@@H](C)N[C@H]1COc2ccccc21 ZINC000252732441 635713197 /nfs/dbraw/zinc/71/31/97/635713197.db2.gz VCBQMKGQLQOPPD-FOGDFJRCSA-N 0 3 221.300 2.133 10 0 BEAEHN CCC1CCC(NC(=O)[C@H](N)CC2CC2)CC1 ZINC000310112830 632701003 /nfs/dbraw/zinc/70/10/03/632701003.db2.gz QNWQRANWLMQANE-KGPNIALWSA-N 0 3 238.375 2.199 10 0 BEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000310686612 632886365 /nfs/dbraw/zinc/88/63/65/632886365.db2.gz MYXIXSWDMFKVMF-FZMZJTMJSA-N 0 3 246.354 2.300 10 0 BEAEHN Cc1ccc([C@@H](C)NCC[C@@H]2CCOC2=O)o1 ZINC000182579122 633951457 /nfs/dbraw/zinc/95/14/57/633951457.db2.gz PGUCFCBOHRUQNW-GHMZBOCLSA-N 0 3 237.299 2.192 10 0 BEAEHN C[C@@H](O)[C@H](C)NCc1cnc(C2CCC2)s1 ZINC000309964703 633991615 /nfs/dbraw/zinc/99/16/15/633991615.db2.gz MXLWIBUCXYHHFV-DTWKUNHWSA-N 0 3 240.372 2.270 10 0 BEAEHN CCc1cccc(F)c1CN[C@H](C)[C@H](C)O ZINC000336765934 635284942 /nfs/dbraw/zinc/28/49/42/635284942.db2.gz OQAABOZPELNCQY-ZJUUUORDSA-N 0 3 225.307 2.247 10 0 BEAEHN C[C@H](O)[C@H](C)NCc1cc(Cl)ccc1F ZINC000336764593 635285080 /nfs/dbraw/zinc/28/50/80/635285080.db2.gz QGXQKSIZZBTQHN-YUMQZZPRSA-N 0 3 231.698 2.338 10 0 BEAEHN Cc1cc(NCc2ccccc2C)nc(N)n1 ZINC000043533088 638518084 /nfs/dbraw/zinc/51/80/84/638518084.db2.gz IKFAERIBHHXZRK-UHFFFAOYSA-N 0 3 228.299 2.288 10 0 BEAEHN COc1ccc([C@H](C)N[C@@H](C)[C@@H](C)O)c(F)c1 ZINC000348310554 638997477 /nfs/dbraw/zinc/99/74/77/638997477.db2.gz CGSVYWCEVLVNOJ-LPEHRKFASA-N 0 3 241.306 2.254 10 0 BEAEHN Cc1cc(NCCc2cccc(F)c2)nc(N)n1 ZINC000045724783 640654449 /nfs/dbraw/zinc/65/44/49/640654449.db2.gz BABFKKDLYPYEMU-UHFFFAOYSA-N 0 3 246.289 2.161 10 0 BEAEHN C1CN[C@@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000087699719 640976791 /nfs/dbraw/zinc/97/67/91/640976791.db2.gz AWCMYEPLEOWLCP-HTQZYQBOSA-N 0 3 225.317 2.062 10 0 BEAEHN C1CN[C@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000087699720 640977363 /nfs/dbraw/zinc/97/73/63/640977363.db2.gz AWCMYEPLEOWLCP-JGVFFNPUSA-N 0 3 225.317 2.062 10 0 BEAEHN C1CN[C@@H](c2nc([C@H]3CCCCS3)no2)C1 ZINC000087700235 640978528 /nfs/dbraw/zinc/97/85/28/640978528.db2.gz CSANAKNVIQRWEK-RKDXNWHRSA-N 0 3 239.344 2.452 10 0 BEAEHN CN(C)[C@H](CNCc1ccoc1)c1ccco1 ZINC000062103355 641019769 /nfs/dbraw/zinc/01/97/69/641019769.db2.gz RAXDYCNWGMPNEF-GFCCVEGCSA-N 0 3 234.299 2.265 10 0 BEAEHN Cc1ccc([C@H](C)NC[C@H]2COC(C)(C)O2)o1 ZINC000230203219 641036715 /nfs/dbraw/zinc/03/67/15/641036715.db2.gz SDIQTTDHLSMAMX-QWRGUYRKSA-N 0 3 239.315 2.390 10 0 BEAEHN CC[C@H](N)c1nc(C2CCCCC2)nn1C ZINC000054699466 641154529 /nfs/dbraw/zinc/15/45/29/641154529.db2.gz ZOVOARYJEJZOFL-JTQLQIEISA-N 0 3 222.336 2.273 10 0 BEAEHN Cc1ccc(CN(C)c2cc(C)nc(N)n2)cc1 ZINC000043532623 641566813 /nfs/dbraw/zinc/56/68/13/641566813.db2.gz IHLUTIVCPRATQD-UHFFFAOYSA-N 0 3 242.326 2.312 10 0 BEAEHN CC(C)(C)Cc1noc([C@@H]2CCCN2)n1 ZINC000082673374 643365959 /nfs/dbraw/zinc/36/59/59/643365959.db2.gz PAJKLXJKULKWJW-QMMMGPOBSA-N 0 3 209.293 2.083 10 0 BEAEHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1cccs1 ZINC000304383791 644898443 /nfs/dbraw/zinc/89/84/43/644898443.db2.gz RIGSJVNDWUYKBH-WPRPVWTQSA-N 0 3 238.356 2.053 10 0 BEAEHN CCCC[C@@H](C)N[C@@H](C)c1cn(C)nn1 ZINC000715841228 712532922 /nfs/dbraw/zinc/53/29/22/712532922.db2.gz HVSUKOPBLYORNP-ZJUUUORDSA-N 0 3 210.325 2.044 10 0 BEAEHN C[C@H](NC1CCC(C)CC1)c1cn(C)nn1 ZINC000715901567 712541251 /nfs/dbraw/zinc/54/12/51/712541251.db2.gz KPBUMNDPVHGDLH-YVNMAJEFSA-N 0 3 222.336 2.044 10 0 BEAEHN Cc1coc(CNC[C@@H](O)C(C)(C)C)c1 ZINC000718053207 712739634 /nfs/dbraw/zinc/73/96/34/712739634.db2.gz PBDDSBIBGBARPD-LLVKDONJSA-N 0 3 211.305 2.085 10 0 BEAEHN