smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc([C@@H]2NCCc3sccc32)cc1 ZINC000000106584 342674759 /nfs/dbraw/zinc/67/47/59/342674759.db2.gz CSDQQAQKBAQLLE-ZDUSSCGKSA-N 0 3 249.766 3.637 50 0 BHAAHN Clc1ccc([C@H]2NCCc3sccc32)cc1 ZINC000000106586 180585166 /nfs/dbraw/zinc/58/51/66/180585166.db2.gz CSDQQAQKBAQLLE-CYBMUJFWSA-N 0 3 249.766 3.637 50 0 BHAAHN Cc1cc(NCc2ccco2)c2ccccc2n1 ZINC000000120722 178174984 /nfs/dbraw/zinc/17/49/84/178174984.db2.gz GYBMNXQOGHWLQH-UHFFFAOYSA-N 0 3 238.290 3.748 50 0 BHAAHN Cc1cc(NCc2cccnc2)c2ccccc2n1 ZINC000000120735 178175478 /nfs/dbraw/zinc/17/54/78/178175478.db2.gz FOIYPMQRYMSCNE-UHFFFAOYSA-N 0 3 249.317 3.550 50 0 BHAAHN CC(C)Nc1c2c(nc3ccccc31)CCC2 ZINC000000122803 167142248 /nfs/dbraw/zinc/14/22/48/167142248.db2.gz PHBZURKMRLEPBX-UHFFFAOYSA-N 0 3 226.323 3.544 50 0 BHAAHN NCc1c(Cl)cccc1Oc1ccccc1 ZINC000000159665 383836412 /nfs/dbraw/zinc/83/64/12/383836412.db2.gz SNTOZVXKDWQFEW-UHFFFAOYSA-N 0 3 233.698 3.591 50 0 in-vivo BHAAHN CCN(CC)CCC(=O)c1ccc(C(C)C)cc1 ZINC000000269299 342681954 /nfs/dbraw/zinc/68/19/54/342681954.db2.gz RXXZVGHIGLEKQL-UHFFFAOYSA-N 0 3 247.382 3.725 50 0 BHAAHN Clc1ccc(CN2CCCCCC2)cc1 ZINC000000291995 346406823 /nfs/dbraw/zinc/40/68/23/346406823.db2.gz HYVIGCJJIMMLDX-UHFFFAOYSA-N 0 3 223.747 3.716 50 0 BHAAHN CC[C@@]1(C)C[C@H](C(=O)c2ccccc2C)CCO1 ZINC000000295457 171207047 /nfs/dbraw/zinc/20/70/47/171207047.db2.gz SJWQJHDKQVHXNV-CJNGLKHVSA-N 0 3 246.350 3.773 50 0 BHAAHN CC[C@@]1(C)C[C@H](C(=O)c2cccc(C)c2)CCO1 ZINC000000295467 171207106 /nfs/dbraw/zinc/20/71/06/171207106.db2.gz LXOKRDRBLZRTGL-ZBFHGGJFSA-N 0 3 246.350 3.773 50 0 BHAAHN Clc1ccc(CNCc2ccccc2)cc1 ZINC000000329435 342683347 /nfs/dbraw/zinc/68/33/47/342683347.db2.gz NLJKKSSMEUWPKM-UHFFFAOYSA-N 0 3 231.726 3.630 50 0 BHAAHN Cc1sc(CN(C)C)cc1-c1ccccc1 ZINC000000338982 346417137 /nfs/dbraw/zinc/41/71/37/346417137.db2.gz IVPGDYCIWBCHHH-UHFFFAOYSA-N 0 3 231.364 3.785 50 0 BHAAHN CN(C)Cc1ccccc1Oc1ccccc1 ZINC000000346601 344714090 /nfs/dbraw/zinc/71/40/90/344714090.db2.gz BBLALPDUHCRAKZ-UHFFFAOYSA-N 0 3 227.307 3.541 50 0 in-vivo BHAAHN C[C@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000000357571 383859917 /nfs/dbraw/zinc/85/99/17/383859917.db2.gz HSJNHKWTWTXYLV-LBPRGKRZSA-N 0 3 229.298 3.677 50 0 BHAAHN C[C@@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000000357573 383858548 /nfs/dbraw/zinc/85/85/48/383858548.db2.gz HSJNHKWTWTXYLV-GFCCVEGCSA-N 0 3 229.298 3.677 50 0 BHAAHN c1ccc2c(c1)cccc2CNCc1cccnc1 ZINC000000359784 383858504 /nfs/dbraw/zinc/85/85/04/383858504.db2.gz AXTCUNQBYAOHSZ-UHFFFAOYSA-N 0 3 248.329 3.525 50 0 BHAAHN Cc1ccsc1CN[C@@H](C)c1ccccc1 ZINC000000359919 342684860 /nfs/dbraw/zinc/68/48/60/342684860.db2.gz UDAPQPLIQKPCED-LBPRGKRZSA-N 0 3 231.364 3.907 50 0 BHAAHN Cc1ccsc1CN[C@H](C)c1ccccc1 ZINC000000359921 342684932 /nfs/dbraw/zinc/68/49/32/342684932.db2.gz UDAPQPLIQKPCED-GFCCVEGCSA-N 0 3 231.364 3.907 50 0 BHAAHN CCc1ccc(CNCc2cccs2)cc1 ZINC000000360089 383859866 /nfs/dbraw/zinc/85/98/66/383859866.db2.gz NXPRFDWNDBBGDK-UHFFFAOYSA-N 0 3 231.364 3.600 50 0 BHAAHN CC[C@@]1(C)C[C@H](C(=O)c2ccc(C)cc2)CCO1 ZINC000000360110 171207105 /nfs/dbraw/zinc/20/71/05/171207105.db2.gz XWVPLCAZFDJIIM-ZBFHGGJFSA-N 0 3 246.350 3.773 50 0 BHAAHN Fc1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000000360339 342684869 /nfs/dbraw/zinc/68/48/69/342684869.db2.gz BMBNBIAXGOSTJF-UHFFFAOYSA-N 0 3 249.716 3.769 50 0 BHAAHN CSc1ccc(CNCc2cccs2)cc1 ZINC000000360548 342684973 /nfs/dbraw/zinc/68/49/73/342684973.db2.gz HIDVBXXWFNQKDB-UHFFFAOYSA-N 0 3 249.404 3.760 50 0 BHAAHN Clc1ccc(NC2=NCCC2)cc1Cl ZINC000000510381 346951333 /nfs/dbraw/zinc/95/13/33/346951333.db2.gz QJYDWXXPXYARJI-UHFFFAOYSA-N 0 3 229.110 3.598 50 0 BHAAHN Clc1ccc(NC2=NCCCCC2)cc1 ZINC000000550257 347000325 /nfs/dbraw/zinc/00/03/25/347000325.db2.gz ZUBMDAMPFXPZTQ-UHFFFAOYSA-N 0 3 222.719 3.724 50 0 BHAAHN c1ccc2c(c1)cccc2CNCc1ccncc1 ZINC000000571076 383875543 /nfs/dbraw/zinc/87/55/43/383875543.db2.gz PYVQOXQSSXKSJX-UHFFFAOYSA-N 0 3 248.329 3.525 50 0 BHAAHN C[C@H](NCc1cccs1)c1ccccc1 ZINC000000572529 383875533 /nfs/dbraw/zinc/87/55/33/383875533.db2.gz PRHITJFVXXYYRE-NSHDSACASA-N 0 3 217.337 3.599 50 0 BHAAHN C[C@@H](NCc1cccs1)c1ccccc1 ZINC000000572530 342690453 /nfs/dbraw/zinc/69/04/53/342690453.db2.gz PRHITJFVXXYYRE-LLVKDONJSA-N 0 3 217.337 3.599 50 0 BHAAHN COc1ccc([C@H](C)NCc2cccs2)cc1 ZINC000000801780 175189702 /nfs/dbraw/zinc/18/97/02/175189702.db2.gz KDTOMHLXNQRXGH-NSHDSACASA-N 0 3 247.363 3.608 50 0 BHAAHN COc1ccc([C@@H](C)NCc2cccs2)cc1 ZINC000000801781 175176975 /nfs/dbraw/zinc/17/69/75/175176975.db2.gz KDTOMHLXNQRXGH-LLVKDONJSA-N 0 3 247.363 3.608 50 0 BHAAHN COc1ccc(CN[C@@H](C)c2ccccc2)cc1 ZINC000000874260 175109248 /nfs/dbraw/zinc/10/92/48/175109248.db2.gz DMMOIEFDHGQJIY-ZDUSSCGKSA-N 0 3 241.334 3.546 50 0 BHAAHN COc1ccc(CN[C@H](C)c2ccccc2)cc1 ZINC000000874263 175110805 /nfs/dbraw/zinc/11/08/05/175110805.db2.gz DMMOIEFDHGQJIY-CYBMUJFWSA-N 0 3 241.334 3.546 50 0 BHAAHN CN(C)Cc1ccccc1CCc1ccccc1 ZINC000000968674 342695310 /nfs/dbraw/zinc/69/53/10/342695310.db2.gz OOYPHOCDRYIOGZ-UHFFFAOYSA-N 0 3 239.362 3.533 50 0 BHAAHN CC1(C)Cc2c(ccc3ccccc32)C=N1 ZINC000001056341 350992773 /nfs/dbraw/zinc/99/27/73/350992773.db2.gz RTOLSIPCOCJZSV-UHFFFAOYSA-N 0 3 209.292 3.593 50 0 BHAAHN C[C@@H]1N(Cc2ccccc2)CC12CCCCC2 ZINC000001195261 383891559 /nfs/dbraw/zinc/89/15/59/383891559.db2.gz KDXZIEBCIJZYPX-AWEZNQCLSA-N 0 3 229.367 3.841 50 0 BHAAHN C[C@H]1N(Cc2ccccc2)CC12CCCCC2 ZINC000001195263 177392061 /nfs/dbraw/zinc/39/20/61/177392061.db2.gz KDXZIEBCIJZYPX-CQSZACIVSA-N 0 3 229.367 3.841 50 0 BHAAHN O=C(CCCCN1CCCCC1)c1ccccc1 ZINC000001621782 342706331 /nfs/dbraw/zinc/70/63/31/342706331.db2.gz GWUYQKPGTWRLGK-UHFFFAOYSA-N 0 3 245.366 3.526 50 0 BHAAHN c1ccc(C2=NC[C@H](c3ccccc3)C2)cc1 ZINC000001664197 183389453 /nfs/dbraw/zinc/38/94/53/183389453.db2.gz LFPDKGXXRBKSMO-OAHLLOKOSA-N 0 3 221.303 3.663 50 0 BHAAHN CN(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1 ZINC000001716331 342710855 /nfs/dbraw/zinc/71/08/55/342710855.db2.gz NAUGUUNRDWGECM-UHFFFAOYSA-N 0 3 234.387 3.743 50 0 BHAAHN CCCCC1=NCCc2c3ccccc3[nH]c21 ZINC000001843751 187300141 /nfs/dbraw/zinc/30/01/41/187300141.db2.gz WPTGBHBVGHVBDZ-UHFFFAOYSA-N 0 3 226.323 3.703 50 0 BHAAHN CCCCCCN1Cc2ccccc2C1 ZINC000001871085 358994832 /nfs/dbraw/zinc/99/48/32/358994832.db2.gz SMPSZNCWLJYMEX-UHFFFAOYSA-N 0 3 203.329 3.583 50 0 BHAAHN CC(C)=CCC[C@H](C)NCc1ccco1 ZINC000002119199 188274695 /nfs/dbraw/zinc/27/46/95/188274695.db2.gz GZZLMYUOYGEEIK-LBPRGKRZSA-N 0 3 207.317 3.504 50 0 BHAAHN CC(C)=CCC[C@@H](C)NCc1ccco1 ZINC000002119200 383952119 /nfs/dbraw/zinc/95/21/19/383952119.db2.gz GZZLMYUOYGEEIK-GFCCVEGCSA-N 0 3 207.317 3.504 50 0 BHAAHN Cc1ccc(CNCc2ccc(C)cc2)cc1 ZINC000002169049 342716514 /nfs/dbraw/zinc/71/65/14/342716514.db2.gz XKUYLMSRBGFLFH-UHFFFAOYSA-N 0 3 225.335 3.593 50 0 BHAAHN CCCCCNCc1c(F)cccc1Cl ZINC000002178103 342716719 /nfs/dbraw/zinc/71/67/19/342716719.db2.gz PFNAQKIZCDMLAY-UHFFFAOYSA-N 0 3 229.726 3.759 50 0 BHAAHN CCCCNCc1cccc(Cl)c1Cl ZINC000002181857 168871676 /nfs/dbraw/zinc/87/16/76/168871676.db2.gz ZGDTYTOWDSIEQR-UHFFFAOYSA-N 0 3 232.154 3.883 50 0 BHAAHN CC(C)[C@@H](CCNCc1ccco1)c1ccco1 ZINC000002198422 363900617 /nfs/dbraw/zinc/90/06/17/363900617.db2.gz DXWPURMMNRJKEM-CQSZACIVSA-N 0 3 247.338 3.792 50 0 BHAAHN CC(C)[C@H](CCNCc1ccco1)c1ccco1 ZINC000002198424 363900414 /nfs/dbraw/zinc/90/04/14/363900414.db2.gz DXWPURMMNRJKEM-AWEZNQCLSA-N 0 3 247.338 3.792 50 0 BHAAHN Cc1cccc(CN[C@@H](C)c2ccccc2)c1 ZINC000002390500 179097345 /nfs/dbraw/zinc/09/73/45/179097345.db2.gz RIJGFBBPMPGCJT-AWEZNQCLSA-N 0 3 225.335 3.846 50 0 BHAAHN CCCCCc1ccc(C(=O)CCN(C)C)cc1 ZINC000002471466 371555277 /nfs/dbraw/zinc/55/52/77/371555277.db2.gz ADPVOZXEJPIYPG-UHFFFAOYSA-N 0 3 247.382 3.554 50 0 BHAAHN C[C@@H](Cc1ccccc1)N1Cc2ccccc2C1 ZINC000002486729 371559317 /nfs/dbraw/zinc/55/93/17/371559317.db2.gz RUYDSVKPHNJMOS-AWEZNQCLSA-N 0 3 237.346 3.633 50 0 BHAAHN C[C@H](Cc1ccccc1)N1Cc2ccccc2C1 ZINC000002486730 371558405 /nfs/dbraw/zinc/55/84/05/371558405.db2.gz RUYDSVKPHNJMOS-CQSZACIVSA-N 0 3 237.346 3.633 50 0 BHAAHN CC(C)=CCCC(C)=C=CC(C)(C)[C@H]1NCCO1 ZINC000002496317 343270909 /nfs/dbraw/zinc/27/09/09/343270909.db2.gz LROQSEFFFMGVQF-POGJTHQKSA-N 0 3 249.398 3.806 50 0 BHAAHN CC(C)=CCCC(C)=C=CC(C)(C)[C@@H]1NCCO1 ZINC000002496319 343270779 /nfs/dbraw/zinc/27/07/79/343270779.db2.gz LROQSEFFFMGVQF-NZDRZINCSA-N 0 3 249.398 3.806 50 0 BHAAHN c1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccccc21 ZINC000002510337 383968073 /nfs/dbraw/zinc/96/80/73/383968073.db2.gz QWQGGLGOFRUHPH-HDICACEKSA-N 0 3 249.357 3.951 50 0 BHAAHN C/C(c1[nH]cc(C)c1C)=C1/N=CC(C)=C1C ZINC000002519574 168080917 /nfs/dbraw/zinc/08/09/17/168080917.db2.gz TUWHDOMVDQKQEP-OWBHPGMISA-N 0 3 214.312 3.783 50 0 BHAAHN Clc1ccc([C@H]2CCCCN2)c(Cl)c1 ZINC000002534020 342723165 /nfs/dbraw/zinc/72/31/65/342723165.db2.gz YHDPNUBWYAFEEQ-LLVKDONJSA-N 0 3 230.138 3.808 50 0 BHAAHN COc1cc2ccccc2cc1[C@H]1CCCCN1 ZINC000002545043 175027412 /nfs/dbraw/zinc/02/74/12/175027412.db2.gz PTGITDOOISCMOK-OAHLLOKOSA-N 0 3 241.334 3.663 50 0 BHAAHN c1ccc(C2=NCCc3c4ccccc4[nH]c32)cc1 ZINC000002561770 183388696 /nfs/dbraw/zinc/38/86/96/183388696.db2.gz LDMKQGDSXJEJHC-UHFFFAOYSA-N 0 3 246.313 3.561 50 0 BHAAHN COc1ccccc1CN[C@H](C)c1ccccc1 ZINC000002575945 175330916 /nfs/dbraw/zinc/33/09/16/175330916.db2.gz LQYLVEYRISLFEZ-CYBMUJFWSA-N 0 3 241.334 3.546 50 0 BHAAHN NCc1ccc(-c2ccc(Cl)cc2)s1 ZINC000002576572 383979290 /nfs/dbraw/zinc/97/92/90/383979290.db2.gz IIPNNQZFBHWKAI-UHFFFAOYSA-N 0 3 223.728 3.527 50 0 BHAAHN Clc1cccc([C@@H]2CCCCN2)c1Cl ZINC000002582623 342725679 /nfs/dbraw/zinc/72/56/79/342725679.db2.gz SVTIFKIPTUYJLE-JTQLQIEISA-N 0 3 230.138 3.808 50 0 BHAAHN Clc1ccc(Cl)c([C@@H]2CCCCN2)c1 ZINC000002582641 342725738 /nfs/dbraw/zinc/72/57/38/342725738.db2.gz YFDPMXCBDHALDH-NSHDSACASA-N 0 3 230.138 3.808 50 0 BHAAHN Cc1ccc(C)n1-c1cc(C)nc2ccccc21 ZINC000002654040 177696789 /nfs/dbraw/zinc/69/67/89/177696789.db2.gz IJAKOAQVRANLSN-UHFFFAOYSA-N 0 3 236.318 3.951 50 0 BHAAHN CCCCN[C@@H](c1ccccc1)c1ccncc1 ZINC000002981423 587825664 /nfs/dbraw/zinc/82/56/64/587825664.db2.gz FRTGFTDPOVXTHJ-INIZCTEOSA-N 0 3 240.350 3.561 50 0 BHAAHN CCCCN[C@H](c1ccccc1)c1ccncc1 ZINC000002981424 587825742 /nfs/dbraw/zinc/82/57/42/587825742.db2.gz FRTGFTDPOVXTHJ-MRXNPFEDSA-N 0 3 240.350 3.561 50 0 BHAAHN CCCCNCc1[nH]c2ccccc2c1Cl ZINC000003098555 385052418 /nfs/dbraw/zinc/05/24/18/385052418.db2.gz NEJIGPBJXLGERP-UHFFFAOYSA-N 0 3 236.746 3.711 50 0 BHAAHN FC(F)Sc1ccc(NC2=NCCC2)cc1 ZINC000003202678 371914920 /nfs/dbraw/zinc/91/49/20/371914920.db2.gz XBQJPNQCFLDHFN-UHFFFAOYSA-N 0 3 242.294 3.606 50 0 BHAAHN Cc1ccc(NC2=NCCCCC2)cc1C ZINC000003206795 371915055 /nfs/dbraw/zinc/91/50/55/371915055.db2.gz ZDUMLMVXTSPHJG-UHFFFAOYSA-N 0 3 216.328 3.688 50 0 BHAAHN Clc1cccc([C@H]2CCCCN2)c1Cl ZINC000003734595 342737066 /nfs/dbraw/zinc/73/70/66/342737066.db2.gz SVTIFKIPTUYJLE-SNVBAGLBSA-N 0 3 230.138 3.808 50 0 BHAAHN COc1cc2ccccc2cc1[C@@H]1CCCCN1 ZINC000003734630 175027582 /nfs/dbraw/zinc/02/75/82/175027582.db2.gz PTGITDOOISCMOK-HNNXBMFYSA-N 0 3 241.334 3.663 50 0 BHAAHN Clc1ccc([C@@H]2CCCCN2)c(Cl)c1 ZINC000003734671 342737143 /nfs/dbraw/zinc/73/71/43/342737143.db2.gz YHDPNUBWYAFEEQ-NSHDSACASA-N 0 3 230.138 3.808 50 0 BHAAHN Clc1ccc(Cl)c([C@H]2CCCCN2)c1 ZINC000003734675 342737086 /nfs/dbraw/zinc/73/70/86/342737086.db2.gz YFDPMXCBDHALDH-LLVKDONJSA-N 0 3 230.138 3.808 50 0 BHAAHN COc1ccc(Cl)cc1[C@H]1CCCCCN1 ZINC000003734927 175122896 /nfs/dbraw/zinc/12/28/96/175122896.db2.gz ORNGGIPWYFRDGN-GFCCVEGCSA-N 0 3 239.746 3.553 50 0 BHAAHN COc1ccc(Cl)cc1[C@@H]1CCCCCN1 ZINC000003734928 175121601 /nfs/dbraw/zinc/12/16/01/175121601.db2.gz ORNGGIPWYFRDGN-LBPRGKRZSA-N 0 3 239.746 3.553 50 0 BHAAHN c1ccc(C2=NC[C@@H](c3ccccc3)C2)cc1 ZINC000003846224 183389354 /nfs/dbraw/zinc/38/93/54/183389354.db2.gz LFPDKGXXRBKSMO-HNNXBMFYSA-N 0 3 221.303 3.663 50 0 BHAAHN CC(C)CNc1c2c(nc3ccccc31)CCC2 ZINC000004040285 167014880 /nfs/dbraw/zinc/01/48/80/167014880.db2.gz VYOKUUZWHNNMIR-UHFFFAOYSA-N 0 3 240.350 3.791 50 0 BHAAHN CN(C)Cc1ccccc1Sc1ccccc1 ZINC000004146757 342743149 /nfs/dbraw/zinc/74/31/49/342743149.db2.gz FUIKDYGWMKMQNR-UHFFFAOYSA-N 0 3 243.375 3.899 50 0 BHAAHN Cc1ccc(CN[C@@H](C)c2ccccc2)cc1 ZINC000004167373 342743421 /nfs/dbraw/zinc/74/34/21/342743421.db2.gz UDQILIFIYSJMCU-AWEZNQCLSA-N 0 3 225.335 3.846 50 0 BHAAHN Cc1ccc(CN[C@H](C)c2ccccc2)cc1 ZINC000004167377 342743369 /nfs/dbraw/zinc/74/33/69/342743369.db2.gz UDQILIFIYSJMCU-CQSZACIVSA-N 0 3 225.335 3.846 50 0 BHAAHN Cc1ccccc1CN[C@@H](C)c1ccccc1 ZINC000004167728 179282183 /nfs/dbraw/zinc/28/21/83/179282183.db2.gz KNHPPIQCIOYHFR-AWEZNQCLSA-N 0 3 225.335 3.846 50 0 BHAAHN Cc1ccccc1CN[C@H](C)c1ccccc1 ZINC000004167729 179284446 /nfs/dbraw/zinc/28/44/46/179284446.db2.gz KNHPPIQCIOYHFR-CQSZACIVSA-N 0 3 225.335 3.846 50 0 BHAAHN CC(C)Cc1ccc([C@H](N)c2cccs2)cc1 ZINC000004207196 188101547 /nfs/dbraw/zinc/10/15/47/188101547.db2.gz QDEDRANLVGQQSO-HNNXBMFYSA-N 0 3 245.391 3.995 50 0 BHAAHN CC(C)Cc1ccc([C@@H](N)c2cccs2)cc1 ZINC000004207197 188276249 /nfs/dbraw/zinc/27/62/49/188276249.db2.gz QDEDRANLVGQQSO-OAHLLOKOSA-N 0 3 245.391 3.995 50 0 BHAAHN CCCc1ccc([C@H](N)c2cccs2)cc1 ZINC000004207307 342744283 /nfs/dbraw/zinc/74/42/83/342744283.db2.gz SFXSLECHAPHLNA-AWEZNQCLSA-N 0 3 231.364 3.749 50 0 BHAAHN CCCc1ccc([C@@H](N)c2cccs2)cc1 ZINC000004207309 169573451 /nfs/dbraw/zinc/57/34/51/169573451.db2.gz SFXSLECHAPHLNA-CQSZACIVSA-N 0 3 231.364 3.749 50 0 BHAAHN CC(C)c1ccc([C@H](N)c2cccs2)cc1 ZINC000004218256 342744651 /nfs/dbraw/zinc/74/46/51/342744651.db2.gz MQCDKKPPNBPSIO-AWEZNQCLSA-N 0 3 231.364 3.920 50 0 BHAAHN CC(C)c1ccc([C@@H](N)c2cccs2)cc1 ZINC000004218257 342744658 /nfs/dbraw/zinc/74/46/58/342744658.db2.gz MQCDKKPPNBPSIO-CQSZACIVSA-N 0 3 231.364 3.920 50 0 BHAAHN Clc1ccccc1[C@@H]1CCCCCN1 ZINC000004234911 342744950 /nfs/dbraw/zinc/74/49/50/342744950.db2.gz 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ZINC000008326772 171342918 /nfs/dbraw/zinc/34/29/18/171342918.db2.gz NCIFEHQOISOQBA-QMMMGPOBSA-N 0 3 232.154 3.882 50 0 BHAAHN CSc1ccc(CNCc2ccccc2)cc1 ZINC000008496870 342799441 /nfs/dbraw/zinc/79/94/41/342799441.db2.gz HWWBCKZEMKOSND-UHFFFAOYSA-N 0 3 243.375 3.698 50 0 BHAAHN Cc1ccc(CNC/C=C/c2ccccc2)cc1 ZINC000008550075 342800462 /nfs/dbraw/zinc/80/04/62/342800462.db2.gz WHWMJICALPJXQI-VMPITWQZSA-N 0 3 237.346 3.798 50 0 BHAAHN Cc1[nH]c(/C=C2\N=CC(C)=C2C)c(C)c1C ZINC000008656729 168080192 /nfs/dbraw/zinc/08/01/92/168080192.db2.gz QRYPSPGKRQABTL-MLPAPPSSSA-N 0 3 214.312 3.702 50 0 BHAAHN Cc1ccc(C(c2ccc(C)cc2)N(C)C)cc1 ZINC000008748852 388408453 /nfs/dbraw/zinc/40/84/53/388408453.db2.gz RTUAIBACJCHLIS-UHFFFAOYSA-N 0 3 239.362 3.954 50 0 BHAAHN Clc1cccc(CNCc2ccccc2)c1 ZINC000009194455 342809713 /nfs/dbraw/zinc/80/97/13/342809713.db2.gz GXANNDMRRFEMAA-UHFFFAOYSA-N 0 3 231.726 3.630 50 0 BHAAHN Cc1ccc(CN(Cc2ccccc2)C(C)C)o1 ZINC000009720786 374230057 /nfs/dbraw/zinc/23/00/57/374230057.db2.gz JNLOETJJGPGRTQ-UHFFFAOYSA-N 0 3 243.350 3.999 50 0 BHAAHN CCC[C@H](NCc1cccnc1)c1ccccc1 ZINC000010315432 342835443 /nfs/dbraw/zinc/83/54/43/342835443.db2.gz VVAXQFPBTDWMCV-INIZCTEOSA-N 0 3 240.350 3.713 50 0 BHAAHN CCC[C@@H](NCc1cccnc1)c1ccccc1 ZINC000010315433 384273398 /nfs/dbraw/zinc/27/33/98/384273398.db2.gz VVAXQFPBTDWMCV-MRXNPFEDSA-N 0 3 240.350 3.713 50 0 BHAAHN COc1c(Cl)cc(Cl)cc1CNC(C)C ZINC000010436182 346811121 /nfs/dbraw/zinc/81/11/21/346811121.db2.gz VDTMQWSAYAOYHC-UHFFFAOYSA-N 0 3 248.153 3.500 50 0 BHAAHN CC(C)NCc1ccc(-c2ccccc2F)o1 ZINC000010436236 167119455 /nfs/dbraw/zinc/11/94/55/167119455.db2.gz BHOZJHHTZYFPGC-UHFFFAOYSA-N 0 3 233.286 3.584 50 0 BHAAHN CC(C)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000010436240 167116386 /nfs/dbraw/zinc/11/63/86/167116386.db2.gz SUDDNMQDJPYQQY-UHFFFAOYSA-N 0 3 233.286 3.584 50 0 BHAAHN Cc1ccc2c(c1)CCN[C@@H]2c1ccccc1C ZINC000011597492 187305077 /nfs/dbraw/zinc/30/50/77/187305077.db2.gz FUOVTHMZYZYHSU-QGZVFWFLSA-N 0 3 237.346 3.539 50 0 BHAAHN Cc1ccc2c(c1)CCN[C@H]2c1ccccc1C ZINC000011597496 344384653 /nfs/dbraw/zinc/38/46/53/344384653.db2.gz FUOVTHMZYZYHSU-KRWDZBQOSA-N 0 3 237.346 3.539 50 0 BHAAHN Cc1cccc(CN[C@H](C)c2ccccc2)c1 ZINC000012042110 179100029 /nfs/dbraw/zinc/10/00/29/179100029.db2.gz RIJGFBBPMPGCJT-CQSZACIVSA-N 0 3 225.335 3.846 50 0 BHAAHN C[C@@H]1CCCCN1Cc1ccccc1Cl ZINC000012350190 176073546 /nfs/dbraw/zinc/07/35/46/176073546.db2.gz VRICTDXBHLDGRS-LLVKDONJSA-N 0 3 223.747 3.714 50 0 BHAAHN C[C@H]1CCCCN1Cc1ccccc1Cl ZINC000012350199 177076699 /nfs/dbraw/zinc/07/66/99/177076699.db2.gz VRICTDXBHLDGRS-NSHDSACASA-N 0 3 223.747 3.714 50 0 BHAAHN C[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000012350995 176101251 /nfs/dbraw/zinc/10/12/51/176101251.db2.gz QUAZCBBGZZHVLQ-LLVKDONJSA-N 0 3 223.747 3.572 50 0 BHAAHN C[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000012350999 177100947 /nfs/dbraw/zinc/10/09/47/177100947.db2.gz QUAZCBBGZZHVLQ-NSHDSACASA-N 0 3 223.747 3.572 50 0 BHAAHN CCCCN(C)Cc1ccccc1Cl ZINC000012351004 350142684 /nfs/dbraw/zinc/14/26/84/350142684.db2.gz FCANELNTPAJHCE-UHFFFAOYSA-N 0 3 211.736 3.572 50 0 BHAAHN C[C@@H](NCc1ccccc1)c1ccccc1 ZINC000012360036 342850234 /nfs/dbraw/zinc/85/02/34/342850234.db2.gz ZYZHMSJNPCYUTB-CYBMUJFWSA-N 0 3 211.308 3.537 50 0 BHAAHN C[C@H](NCc1ccccc1)c1ccccc1 ZINC000012360037 176876902 /nfs/dbraw/zinc/87/69/02/176876902.db2.gz ZYZHMSJNPCYUTB-ZDUSSCGKSA-N 0 3 211.308 3.537 50 0 BHAAHN CCOc1ccc(Cl)cc1[C@@H]1CCCCN1 ZINC000012404749 342851601 /nfs/dbraw/zinc/85/16/01/342851601.db2.gz MYIBAFWQCUCAJD-LBPRGKRZSA-N 0 3 239.746 3.553 50 0 BHAAHN CCOc1ccc(Cl)cc1[C@H]1CCCCN1 ZINC000012404750 342851444 /nfs/dbraw/zinc/85/14/44/342851444.db2.gz MYIBAFWQCUCAJD-GFCCVEGCSA-N 0 3 239.746 3.553 50 0 BHAAHN c1csc(-c2cc([C@H]3CCCCCN3)no2)c1 ZINC000013566798 342867998 /nfs/dbraw/zinc/86/79/98/342867998.db2.gz IIMPPTLDXUVNNC-SNVBAGLBSA-N 0 3 248.351 3.608 50 0 BHAAHN c1csc(-c2cc([C@@H]3CCCCCN3)no2)c1 ZINC000013566799 342867980 /nfs/dbraw/zinc/86/79/80/342867980.db2.gz IIMPPTLDXUVNNC-JTQLQIEISA-N 0 3 248.351 3.608 50 0 BHAAHN CC(C)CCNCc1c(F)cccc1Cl ZINC000013717894 384369744 /nfs/dbraw/zinc/36/97/44/384369744.db2.gz CNPQXUHXISUIKS-UHFFFAOYSA-N 0 3 229.726 3.615 50 0 BHAAHN CCC(C)(C)NCc1c(F)cccc1Cl ZINC000013717896 168299300 /nfs/dbraw/zinc/29/93/00/168299300.db2.gz SXEGDGSLSYZPFL-UHFFFAOYSA-N 0 3 229.726 3.757 50 0 BHAAHN COc1ccccc1CNCCC1=CCCCC1 ZINC000013717921 384368256 /nfs/dbraw/zinc/36/82/56/384368256.db2.gz JXOMOAHMRSDYIW-UHFFFAOYSA-N 0 3 245.366 3.675 50 0 BHAAHN CCC(C)(C)NCc1ccccc1Cl ZINC000013718170 168298825 /nfs/dbraw/zinc/29/88/25/168298825.db2.gz SYTNVBSANASSBE-UHFFFAOYSA-N 0 3 211.736 3.618 50 0 BHAAHN Fc1ccccc1CNCCC1=CCCCC1 ZINC000013718211 181012049 /nfs/dbraw/zinc/01/20/49/181012049.db2.gz VWDSRMVLSWFREA-UHFFFAOYSA-N 0 3 233.330 3.806 50 0 BHAAHN CCC(C)(C)NCc1cc(Cl)ccc1OC ZINC000013718276 168299554 /nfs/dbraw/zinc/29/95/54/168299554.db2.gz HBDPULFEKCFIKI-UHFFFAOYSA-N 0 3 241.762 3.627 50 0 BHAAHN C[C@@H]1CCCCN1Cc1ccc(Cl)cc1 ZINC000013945871 176073427 /nfs/dbraw/zinc/07/34/27/176073427.db2.gz XSUFBMOOGHTPOZ-LLVKDONJSA-N 0 3 223.747 3.714 50 0 BHAAHN C[C@H]1CCCCN1Cc1ccc(Cl)cc1 ZINC000013945872 177077300 /nfs/dbraw/zinc/07/73/00/177077300.db2.gz XSUFBMOOGHTPOZ-NSHDSACASA-N 0 3 223.747 3.714 50 0 BHAAHN Clc1ccccc1CN1CCCCCC1 ZINC000013945909 346967050 /nfs/dbraw/zinc/96/70/50/346967050.db2.gz GIJULRCQOLCUPU-UHFFFAOYSA-N 0 3 223.747 3.716 50 0 BHAAHN C[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000014193645 176101235 /nfs/dbraw/zinc/10/12/35/176101235.db2.gz SCSCONWPVVMLOB-LLVKDONJSA-N 0 3 223.747 3.572 50 0 BHAAHN C[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000014193646 177102331 /nfs/dbraw/zinc/10/23/31/177102331.db2.gz SCSCONWPVVMLOB-NSHDSACASA-N 0 3 223.747 3.572 50 0 BHAAHN Cc1ccccc1CN1CCc2ccccc2C1 ZINC000014217351 179276045 /nfs/dbraw/zinc/27/60/45/179276045.db2.gz OIRNNCBLHZHTQN-UHFFFAOYSA-N 0 3 237.346 3.553 50 0 BHAAHN Cc1ccc(-c2ccc(F)c(CN)c2)cc1C ZINC000014629087 178324155 /nfs/dbraw/zinc/32/41/55/178324155.db2.gz GBSWRJOZHRNJLF-UHFFFAOYSA-N 0 3 229.298 3.568 50 0 BHAAHN c1csc(CNCc2cccc3[nH]ccc32)c1 ZINC000015423513 342896111 /nfs/dbraw/zinc/89/61/11/342896111.db2.gz PHNUBHPPTAHJEP-UHFFFAOYSA-N 0 3 242.347 3.519 50 0 BHAAHN Clc1ccc(CNCc2cccs2)cc1 ZINC000016430640 342910736 /nfs/dbraw/zinc/91/07/36/342910736.db2.gz BQPFLLLNGOCIMK-UHFFFAOYSA-N 0 3 237.755 3.691 50 0 BHAAHN Fc1ccc(CNC/C=C/c2ccccc2)cc1 ZINC000016450936 342910990 /nfs/dbraw/zinc/91/09/90/342910990.db2.gz WXHXLHFJBLIGHW-QPJJXVBHSA-N 0 3 241.309 3.629 50 0 BHAAHN Clc1ccccc1CNCCc1ccccc1 ZINC000016479387 342911493 /nfs/dbraw/zinc/91/14/93/342911493.db2.gz DAOIKMDLNGMJID-UHFFFAOYSA-N 0 3 245.753 3.672 50 0 BHAAHN c1ccc2cc(CNCc3ccncc3)ccc2c1 ZINC000016941721 384474321 /nfs/dbraw/zinc/47/43/21/384474321.db2.gz FWJFFHKQMZQVIQ-UHFFFAOYSA-N 0 3 248.329 3.525 50 0 BHAAHN c1ccc2cc(CNCc3cccnc3)ccc2c1 ZINC000016941740 384472180 /nfs/dbraw/zinc/47/21/80/384472180.db2.gz MICBIHSDVVCMTE-UHFFFAOYSA-N 0 3 248.329 3.525 50 0 BHAAHN c1ccc(C(NC2CC2)c2ccccc2)cc1 ZINC000019266039 183387468 /nfs/dbraw/zinc/38/74/68/183387468.db2.gz QUORIRVCDBZIOJ-UHFFFAOYSA-N 0 3 223.319 3.528 50 0 BHAAHN N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000019415084 342948309 /nfs/dbraw/zinc/94/83/09/342948309.db2.gz SPLLOOKALMIBHS-ZDUSSCGKSA-N 0 3 235.689 3.527 50 0 BHAAHN N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000019415086 342948027 /nfs/dbraw/zinc/94/80/27/342948027.db2.gz SPLLOOKALMIBHS-CYBMUJFWSA-N 0 3 235.689 3.527 50 0 BHAAHN CCCN[C@@H](C)c1ccccc1Br ZINC000019471776 169277054 /nfs/dbraw/zinc/27/70/54/169277054.db2.gz AWTQICLZELKBIH-VIFPVBQESA-N 0 3 242.160 3.510 50 0 BHAAHN CCCN[C@H](C)c1ccccc1Br ZINC000019471777 169287220 /nfs/dbraw/zinc/28/72/20/169287220.db2.gz AWTQICLZELKBIH-SECBINFHSA-N 0 3 242.160 3.510 50 0 BHAAHN C[C@@H](NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000019478385 384525349 /nfs/dbraw/zinc/52/53/49/384525349.db2.gz QHMXYJCWQPNHQC-SSDOTTSWSA-N 0 3 230.138 3.806 50 0 BHAAHN C[C@H](NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000019478386 384525868 /nfs/dbraw/zinc/52/58/68/384525868.db2.gz QHMXYJCWQPNHQC-ZETCQYMHSA-N 0 3 230.138 3.806 50 0 BHAAHN Clc1cccc([C@@H]2NCCc3ccccc32)c1 ZINC000019624665 347340368 /nfs/dbraw/zinc/34/03/68/347340368.db2.gz KWEBXVFUKFSDOI-HNNXBMFYSA-N 0 3 243.737 3.575 50 0 BHAAHN Clc1cccc([C@H]2NCCc3ccccc32)c1 ZINC000019624671 347340670 /nfs/dbraw/zinc/34/06/70/347340670.db2.gz KWEBXVFUKFSDOI-OAHLLOKOSA-N 0 3 243.737 3.575 50 0 BHAAHN Clc1ccc([C@@H]2NCCc3ccccc32)cc1 ZINC000019624675 342952234 /nfs/dbraw/zinc/95/22/34/342952234.db2.gz UIBYAOPNXNPUEU-HNNXBMFYSA-N 0 3 243.737 3.575 50 0 BHAAHN Clc1ccc([C@H]2NCCc3ccccc32)cc1 ZINC000019624679 342952437 /nfs/dbraw/zinc/95/24/37/342952437.db2.gz UIBYAOPNXNPUEU-OAHLLOKOSA-N 0 3 243.737 3.575 50 0 BHAAHN CCCCCOc1ccccc1CNC(C)C ZINC000019737975 342955627 /nfs/dbraw/zinc/95/56/27/342955627.db2.gz WAQVTEOEUPUBSS-UHFFFAOYSA-N 0 3 235.371 3.754 50 0 BHAAHN CC1(C)CN[C@@H](c2ccccc2)c2ccccc21 ZINC000019789179 342789249 /nfs/dbraw/zinc/78/92/49/342789249.db2.gz NLNOSMJWSNOORR-INIZCTEOSA-N 0 3 237.346 3.657 50 0 BHAAHN CC1(C)CN[C@H](c2ccccc2)c2ccccc21 ZINC000019789180 342789302 /nfs/dbraw/zinc/78/93/02/342789302.db2.gz NLNOSMJWSNOORR-MRXNPFEDSA-N 0 3 237.346 3.657 50 0 BHAAHN N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000019803992 342958618 /nfs/dbraw/zinc/95/86/18/342958618.db2.gz MKYLPACDIKGXSW-KRWDZBQOSA-N 0 3 233.314 3.888 50 0 BHAAHN N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000019803993 342958777 /nfs/dbraw/zinc/95/87/77/342958777.db2.gz MKYLPACDIKGXSW-QGZVFWFLSA-N 0 3 233.314 3.888 50 0 BHAAHN N[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000019803998 342958810 /nfs/dbraw/zinc/95/88/10/342958810.db2.gz QQQHJIGKVBQYMP-KRWDZBQOSA-N 0 3 233.314 3.888 50 0 BHAAHN N[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000019803999 342958632 /nfs/dbraw/zinc/95/86/32/342958632.db2.gz QQQHJIGKVBQYMP-QGZVFWFLSA-N 0 3 233.314 3.888 50 0 BHAAHN Cc1ccc([C@@H](N)c2ccccc2Cl)cc1 ZINC000019804203 384540419 /nfs/dbraw/zinc/54/04/19/384540419.db2.gz HRUXSIXLZIPRLH-CQSZACIVSA-N 0 3 231.726 3.697 50 0 BHAAHN Cc1ccc([C@H](N)c2ccccc2Cl)cc1 ZINC000019804204 342958592 /nfs/dbraw/zinc/95/85/92/342958592.db2.gz HRUXSIXLZIPRLH-AWEZNQCLSA-N 0 3 231.726 3.697 50 0 BHAAHN Cc1ccc([C@@H](N)c2ccc(F)cc2Cl)cc1 ZINC000019804221 178861677 /nfs/dbraw/zinc/86/16/77/178861677.db2.gz LHJDDAZELIIHFJ-CQSZACIVSA-N 0 3 249.716 3.836 50 0 BHAAHN Cc1ccc([C@H](N)c2ccc(F)cc2Cl)cc1 ZINC000019804222 342958605 /nfs/dbraw/zinc/95/86/05/342958605.db2.gz LHJDDAZELIIHFJ-AWEZNQCLSA-N 0 3 249.716 3.836 50 0 BHAAHN CCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019808028 170148164 /nfs/dbraw/zinc/14/81/64/170148164.db2.gz BFCISJPDGDUEJG-HNNXBMFYSA-N 0 3 229.298 3.525 50 0 BHAAHN CCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019808030 170164709 /nfs/dbraw/zinc/16/47/09/170164709.db2.gz BFCISJPDGDUEJG-OAHLLOKOSA-N 0 3 229.298 3.525 50 0 BHAAHN CCN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000019808043 170141671 /nfs/dbraw/zinc/14/16/71/170141671.db2.gz MNSOMGUEGGQWDK-ZETCQYMHSA-N 0 3 218.127 3.664 50 0 BHAAHN CCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000019808044 170159102 /nfs/dbraw/zinc/15/91/02/170159102.db2.gz MNSOMGUEGGQWDK-SSDOTTSWSA-N 0 3 218.127 3.664 50 0 BHAAHN CC(C)N[C@@H](C)c1ccccc1Br ZINC000019880586 167132311 /nfs/dbraw/zinc/13/23/11/167132311.db2.gz JVQGMVCOZIUHMJ-VIFPVBQESA-N 0 3 242.160 3.508 50 0 BHAAHN CC(C)N[C@H](C)c1ccccc1Br ZINC000019880588 167138479 /nfs/dbraw/zinc/13/84/79/167138479.db2.gz JVQGMVCOZIUHMJ-SECBINFHSA-N 0 3 242.160 3.508 50 0 BHAAHN CC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000019882054 170756105 /nfs/dbraw/zinc/75/61/05/170756105.db2.gz NLUOLCYBUFDXHX-ZJUUUORDSA-N 0 3 211.736 3.789 50 0 BHAAHN CC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000019882057 171345787 /nfs/dbraw/zinc/34/57/87/171345787.db2.gz NLUOLCYBUFDXHX-UWVGGRQHSA-N 0 3 211.736 3.789 50 0 BHAAHN CC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000019882059 342961132 /nfs/dbraw/zinc/96/11/32/342961132.db2.gz NLUOLCYBUFDXHX-NXEZZACHSA-N 0 3 211.736 3.789 50 0 BHAAHN CC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000019882061 171348075 /nfs/dbraw/zinc/34/80/75/171348075.db2.gz NLUOLCYBUFDXHX-VHSXEESVSA-N 0 3 211.736 3.789 50 0 BHAAHN CCC(CC)NCc1c(F)cccc1Cl ZINC000019884041 168388348 /nfs/dbraw/zinc/38/83/48/168388348.db2.gz CQBUXPSAVALBFT-UHFFFAOYSA-N 0 3 229.726 3.757 50 0 BHAAHN C[C@@H](NCc1ccccc1)c1cccs1 ZINC000019899506 342961528 /nfs/dbraw/zinc/96/15/28/342961528.db2.gz QUUMHQDUGIQJST-LLVKDONJSA-N 0 3 217.337 3.599 50 0 BHAAHN C[C@H](NCc1ccccc1)c1cccs1 ZINC000019899507 384553612 /nfs/dbraw/zinc/55/36/12/384553612.db2.gz QUUMHQDUGIQJST-NSHDSACASA-N 0 3 217.337 3.599 50 0 BHAAHN c1ccc(CN[C@@H]2CCCc3ccccc32)cc1 ZINC000019899684 384553354 /nfs/dbraw/zinc/55/33/54/384553354.db2.gz DKUMMNJHNQSBLG-QGZVFWFLSA-N 0 3 237.346 3.854 50 0 BHAAHN c1ccc(CN[C@H]2CCCc3ccccc32)cc1 ZINC000019899685 384552534 /nfs/dbraw/zinc/55/25/34/384552534.db2.gz DKUMMNJHNQSBLG-KRWDZBQOSA-N 0 3 237.346 3.854 50 0 BHAAHN Cc1ccc(CNCc2cccc(C)c2)cc1 ZINC000019962343 342964633 /nfs/dbraw/zinc/96/46/33/342964633.db2.gz GAUHJNPDLZBQRK-UHFFFAOYSA-N 0 3 225.335 3.593 50 0 BHAAHN Cc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000019962492 342965216 /nfs/dbraw/zinc/96/52/16/342965216.db2.gz CJGZTQKNZKSUDH-QGZVFWFLSA-N 0 3 237.346 3.772 50 0 BHAAHN Cc1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000019962494 342965365 /nfs/dbraw/zinc/96/53/65/342965365.db2.gz CJGZTQKNZKSUDH-KRWDZBQOSA-N 0 3 237.346 3.772 50 0 BHAAHN CCc1ccc([C@@H](N)c2ccccc2Cl)cc1 ZINC000019968535 384567191 /nfs/dbraw/zinc/56/71/91/384567191.db2.gz ZVCZYSGHYXPOLF-OAHLLOKOSA-N 0 3 245.753 3.951 50 0 BHAAHN CCc1ccc([C@H](N)c2ccccc2Cl)cc1 ZINC000019968536 384566408 /nfs/dbraw/zinc/56/64/08/384566408.db2.gz ZVCZYSGHYXPOLF-HNNXBMFYSA-N 0 3 245.753 3.951 50 0 BHAAHN Fc1ccc(CNC2CCCCC2)c(Cl)c1 ZINC000020035643 342966564 /nfs/dbraw/zinc/96/65/64/342966564.db2.gz XSBMDLKRKUMWNH-UHFFFAOYSA-N 0 3 241.737 3.901 50 0 BHAAHN Fc1ccc(CNC2CCCC2)c(Cl)c1 ZINC000020037014 342967031 /nfs/dbraw/zinc/96/70/31/342967031.db2.gz DKKRHOIERQZPEI-UHFFFAOYSA-N 0 3 227.710 3.511 50 0 BHAAHN Cc1ccc(CNCCC2=CCCCC2)o1 ZINC000020093629 342969259 /nfs/dbraw/zinc/96/92/59/342969259.db2.gz DFGVVYRFYJCQKK-UHFFFAOYSA-N 0 3 219.328 3.568 50 0 BHAAHN Cc1ccc(CNCCc2ccc(Cl)cc2)o1 ZINC000020122543 342969853 /nfs/dbraw/zinc/96/98/53/342969853.db2.gz SUCMFJFNOXNXNS-UHFFFAOYSA-N 0 3 249.741 3.574 50 0 BHAAHN c1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccccc21 ZINC000020129801 384583130 /nfs/dbraw/zinc/58/31/30/384583130.db2.gz QWQGGLGOFRUHPH-QZTJIDSGSA-N 0 3 249.357 3.951 50 0 BHAAHN c1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccccc21 ZINC000020129803 183446418 /nfs/dbraw/zinc/44/64/18/183446418.db2.gz QWQGGLGOFRUHPH-ROUUACIJSA-N 0 3 249.357 3.951 50 0 BHAAHN Cc1cccc(CNCc2cccc(C)c2)c1 ZINC000020133878 179093397 /nfs/dbraw/zinc/09/33/97/179093397.db2.gz XMBOJPWGJXIBMM-UHFFFAOYSA-N 0 3 225.335 3.593 50 0 BHAAHN C[C@@H](NCc1cccs1)c1cccs1 ZINC000020139044 342971570 /nfs/dbraw/zinc/97/15/70/342971570.db2.gz CYDFIWHBAAWJLU-SECBINFHSA-N 0 3 223.366 3.660 50 0 BHAAHN C[C@H](NCc1cccs1)c1cccs1 ZINC000020139047 384581784 /nfs/dbraw/zinc/58/17/84/384581784.db2.gz CYDFIWHBAAWJLU-VIFPVBQESA-N 0 3 223.366 3.660 50 0 BHAAHN Fc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000020209584 342977304 /nfs/dbraw/zinc/97/73/04/342977304.db2.gz AHACGNKYKJBOSR-UHFFFAOYSA-N 0 3 249.716 3.769 50 0 BHAAHN CNC1(c2nc3ccccc3s2)CCCCC1 ZINC000020280946 173322280 /nfs/dbraw/zinc/32/22/80/173322280.db2.gz PAXRBDBIOGLGAS-UHFFFAOYSA-N 0 3 246.379 3.675 50 0 BHAAHN CC(C)[C@@H](C)NCc1c(F)cccc1Cl ZINC000020305325 167382015 /nfs/dbraw/zinc/38/20/15/167382015.db2.gz UKZPKBHDZVOBKN-SECBINFHSA-N 0 3 229.726 3.613 50 0 BHAAHN CC(C)[C@H](C)NCc1c(F)cccc1Cl ZINC000020305326 342980944 /nfs/dbraw/zinc/98/09/44/342980944.db2.gz UKZPKBHDZVOBKN-VIFPVBQESA-N 0 3 229.726 3.613 50 0 BHAAHN CNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876589 173388052 /nfs/dbraw/zinc/38/80/52/173388052.db2.gz OSJACKMGSREKJF-UHFFFAOYSA-N 0 3 235.714 3.628 50 0 BHAAHN CCCOc1c(Cl)cc(CNC)cc1Cl ZINC000020926344 169313881 /nfs/dbraw/zinc/31/38/81/169313881.db2.gz NAHQSZSCSUGNLX-UHFFFAOYSA-N 0 3 248.153 3.502 50 0 BHAAHN CCCNCc1cc(Cl)ccc1OCCC ZINC000020928824 169265576 /nfs/dbraw/zinc/26/55/76/169265576.db2.gz BEEVAEYAPTVQGM-UHFFFAOYSA-N 0 3 241.762 3.628 50 0 BHAAHN CCCOc1ccc(Cl)cc1CNC(C)C ZINC000020928995 169319583 /nfs/dbraw/zinc/31/95/83/169319583.db2.gz UAVOVSVOFJBGGD-UHFFFAOYSA-N 0 3 241.762 3.627 50 0 BHAAHN CCCOc1c(Cl)cc(Cl)cc1CNC ZINC000020930131 169313741 /nfs/dbraw/zinc/31/37/41/169313741.db2.gz XTSYPOGZNKJZIM-UHFFFAOYSA-N 0 3 248.153 3.502 50 0 BHAAHN c1ccc(Oc2cccc(CNC3CC3)c2)cc1 ZINC000021960511 343030723 /nfs/dbraw/zinc/03/07/23/343030723.db2.gz ZAMXVZSFCOWFKI-UHFFFAOYSA-N 0 3 239.318 3.731 50 0 BHAAHN C[C@@H](NC1CC1)c1cc(Cl)ccc1Cl ZINC000022166612 384740792 /nfs/dbraw/zinc/74/07/92/384740792.db2.gz FOURFVVJPYVVCK-SSDOTTSWSA-N 0 3 230.138 3.806 50 0 BHAAHN C[C@H](NC1CC1)c1cc(Cl)ccc1Cl ZINC000022166613 384740950 /nfs/dbraw/zinc/74/09/50/384740950.db2.gz FOURFVVJPYVVCK-ZETCQYMHSA-N 0 3 230.138 3.806 50 0 BHAAHN C[C@@H](NC1CC1)c1ccc(Cl)cc1Cl ZINC000022223648 384747620 /nfs/dbraw/zinc/74/76/20/384747620.db2.gz SLBUMFSHBFKQTG-SSDOTTSWSA-N 0 3 230.138 3.806 50 0 BHAAHN C[C@H](NC1CC1)c1ccc(Cl)cc1Cl ZINC000022223650 384746498 /nfs/dbraw/zinc/74/64/98/384746498.db2.gz SLBUMFSHBFKQTG-ZETCQYMHSA-N 0 3 230.138 3.806 50 0 BHAAHN Cc1cc(C)c(/C=C/C=C2/N=C(C)C=C2C)[nH]1 ZINC000025724676 168093223 /nfs/dbraw/zinc/09/32/23/168093223.db2.gz YGFACZZMDKBKBF-CSNJMMPQSA-N 0 3 226.323 3.949 50 0 BHAAHN c1ccc(CN2CC=C(c3ccccc3)CC2)cc1 ZINC000026738222 188109823 /nfs/dbraw/zinc/10/98/23/188109823.db2.gz MMHFZZRBVWLWAT-UHFFFAOYSA-N 0 3 249.357 3.976 50 0 BHAAHN COc1cccc(C2=C(CN(C)C)CCCC2)c1 ZINC000033867581 175249290 /nfs/dbraw/zinc/24/92/90/175249290.db2.gz FBIKAGZLTPYSQW-UHFFFAOYSA-N 0 3 245.366 3.584 50 0 in-vitro BHAAHN CNCc1ccccc1Oc1ccc(C)cc1 ZINC000034664106 173390659 /nfs/dbraw/zinc/39/06/59/173390659.db2.gz WYIQFXZFFUGBGG-UHFFFAOYSA-N 0 3 227.307 3.507 50 0 BHAAHN CCCNCc1cc(Cl)ccc1OC(C)C ZINC000034815436 136208891 /nfs/dbraw/zinc/20/88/91/136208891.db2.gz ZNRPZPVBVBLOFH-UHFFFAOYSA-N 0 3 241.762 3.627 50 0 BHAAHN CC(C)NCc1cc(Cl)ccc1OC(C)C ZINC000034815549 385290802 /nfs/dbraw/zinc/29/08/02/385290802.db2.gz BOSDFCIICXXAAT-UHFFFAOYSA-N 0 3 241.762 3.625 50 0 BHAAHN CNCc1ccccc1Oc1ccc(Cl)cc1 ZINC000034833761 173390750 /nfs/dbraw/zinc/39/07/50/173390750.db2.gz RIJHAFWKICFLDW-UHFFFAOYSA-N 0 3 247.725 3.852 50 0 BHAAHN CCCCCNC1=NC[C@H](c2ccccc2)S1 ZINC000035294636 343292830 /nfs/dbraw/zinc/29/28/30/343292830.db2.gz ZDGAJSJAPAAADE-CYBMUJFWSA-N 0 3 248.395 3.610 50 0 BHAAHN CCCCCNC1=NC[C@@H](c2ccccc2)S1 ZINC000035294637 343292716 /nfs/dbraw/zinc/29/27/16/343292716.db2.gz ZDGAJSJAPAAADE-ZDUSSCGKSA-N 0 3 248.395 3.610 50 0 BHAAHN CN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000035463904 383859992 /nfs/dbraw/zinc/85/99/92/383859992.db2.gz DEIGSCGTJVUWPY-CQSZACIVSA-N 0 3 249.716 3.788 50 0 BHAAHN CN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000035463906 383860415 /nfs/dbraw/zinc/86/04/15/383860415.db2.gz DEIGSCGTJVUWPY-AWEZNQCLSA-N 0 3 249.716 3.788 50 0 BHAAHN C(=C\c1ccccc1)\CNCc1cccs1 ZINC000035535685 518373458 /nfs/dbraw/zinc/37/34/58/518373458.db2.gz AGHLYZYIZPGTOM-YWEYNIOJSA-N 0 3 229.348 3.551 50 0 BHAAHN CNCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000035661977 173387028 /nfs/dbraw/zinc/38/70/28/173387028.db2.gz ASOHCAZIEXCDPL-UHFFFAOYSA-N 0 3 248.153 3.500 50 0 BHAAHN C[C@H](NC1CC1)c1cc(F)c(Cl)cc1Cl ZINC000037183813 343338224 /nfs/dbraw/zinc/33/82/24/343338224.db2.gz PPRPCAKRNTWRBD-LURJTMIESA-N 0 3 248.128 3.946 50 0 BHAAHN C[C@@H](NC1CC1)c1cc(F)c(Cl)cc1Cl ZINC000037183814 383954878 /nfs/dbraw/zinc/95/48/78/383954878.db2.gz PPRPCAKRNTWRBD-ZCFIWIBFSA-N 0 3 248.128 3.946 50 0 BHAAHN N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037466245 181563823 /nfs/dbraw/zinc/56/38/23/181563823.db2.gz LBGOIFJSMYTKBT-CYBMUJFWSA-N 0 3 235.689 3.527 50 0 BHAAHN N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037466247 343346414 /nfs/dbraw/zinc/34/64/14/343346414.db2.gz LBGOIFJSMYTKBT-ZDUSSCGKSA-N 0 3 235.689 3.527 50 0 BHAAHN CCN(C)Cc1cncc(-c2ccc(C)cc2)c1 ZINC000037553887 364178646 /nfs/dbraw/zinc/17/86/46/364178646.db2.gz GNQDGNGICUKJKS-UHFFFAOYSA-N 0 3 240.350 3.509 50 0 BHAAHN NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000038069964 384063919 /nfs/dbraw/zinc/06/39/19/384063919.db2.gz GBTAMJDKRXHUDH-UHFFFAOYSA-N 0 3 235.689 3.605 50 0 BHAAHN Cc1cc([C@H](N)c2ccccc2Cl)ccc1F ZINC000038078651 178261974 /nfs/dbraw/zinc/26/19/74/178261974.db2.gz WWOTUTKCNYLGKV-AWEZNQCLSA-N 0 3 249.716 3.836 50 0 BHAAHN Cc1cc([C@@H](N)c2ccccc2Cl)ccc1F ZINC000038078652 178237814 /nfs/dbraw/zinc/23/78/14/178237814.db2.gz WWOTUTKCNYLGKV-CQSZACIVSA-N 0 3 249.716 3.836 50 0 BHAAHN Cc1ccccc1CN(C)Cc1ccccc1 ZINC000039170262 179270104 /nfs/dbraw/zinc/27/01/04/179270104.db2.gz PSBPHJZLPVJJER-UHFFFAOYSA-N 0 3 225.335 3.627 50 0 BHAAHN Cc1cccc(C)c1NC(=N)c1ccccc1 ZINC000039194541 385089801 /nfs/dbraw/zinc/08/98/01/385089801.db2.gz AASIRBFPUPZJOO-UHFFFAOYSA-N 0 3 224.307 3.741 50 0 BHAAHN CCN(CC)Cc1ccc(Cl)c(Cl)c1 ZINC000039975169 343394323 /nfs/dbraw/zinc/39/43/23/343394323.db2.gz FQHBDWOTXKVSRF-UHFFFAOYSA-N 0 3 232.154 3.835 50 0 BHAAHN CC(C)(C)[C@H](N)c1ccc(Br)s1 ZINC000040236163 384131569 /nfs/dbraw/zinc/13/15/69/384131569.db2.gz YCGQLJLBQFACFC-MRVPVSSYSA-N 0 3 248.189 3.557 50 0 BHAAHN CC(C)(C)[C@@H](N)c1ccc(Br)s1 ZINC000040236165 343399239 /nfs/dbraw/zinc/39/92/39/343399239.db2.gz YCGQLJLBQFACFC-QMMMGPOBSA-N 0 3 248.189 3.557 50 0 BHAAHN CNCc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730694 173386821 /nfs/dbraw/zinc/38/68/21/173386821.db2.gz IMRFZIQRXACOSS-UHFFFAOYSA-N 0 3 248.153 3.500 50 0 BHAAHN C[C@H](Nc1ccnc2ccccc21)c1ccncc1 ZINC000041720565 374178838 /nfs/dbraw/zinc/17/88/38/374178838.db2.gz PXSKXLSQKNHLPL-LBPRGKRZSA-N 0 3 249.317 3.803 50 0 BHAAHN C[C@@H](Nc1ccnc2ccccc21)c1ccncc1 ZINC000041720570 374178710 /nfs/dbraw/zinc/17/87/10/374178710.db2.gz PXSKXLSQKNHLPL-GFCCVEGCSA-N 0 3 249.317 3.803 50 0 BHAAHN CCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000043321737 170126150 /nfs/dbraw/zinc/12/61/50/170126150.db2.gz UXOZOGHHPDSHRI-UHFFFAOYSA-N 0 3 233.286 3.504 50 0 BHAAHN Cc1c(F)cccc1-c1ccc(CNC2CC2)o1 ZINC000043321742 343051258 /nfs/dbraw/zinc/05/12/58/343051258.db2.gz WJKKIUCJZGHGFM-UHFFFAOYSA-N 0 3 245.297 3.646 50 0 BHAAHN CCCCOCN(CCCC)CCCC ZINC000044124530 343492035 /nfs/dbraw/zinc/49/20/35/343492035.db2.gz JLSGWKHRBGZJAI-UHFFFAOYSA-N 0 3 215.381 3.663 50 0 BHAAHN CN(C)C12C=CC(c3ccccc31)c1ccccc12 ZINC000045028191 384369188 /nfs/dbraw/zinc/36/91/88/384369188.db2.gz RFEBOVJFIAZQFP-UHFFFAOYSA-N 0 3 247.341 3.507 50 0 BHAAHN Cc1ccsc1CN(C)Cc1ccccc1 ZINC000048345325 343249341 /nfs/dbraw/zinc/24/93/41/343249341.db2.gz XNBWXIBWNXVBQQ-UHFFFAOYSA-N 0 3 231.364 3.689 50 0 BHAAHN CC(C)[C@H](NCc1cccn1C)c1ccccc1 ZINC000049537919 386764073 /nfs/dbraw/zinc/76/40/73/386764073.db2.gz WGSOVTIHTBRXJH-INIZCTEOSA-N 0 3 242.366 3.512 50 0 BHAAHN CC(C)[C@@H](NCc1cccn1C)c1ccccc1 ZINC000049537920 386763452 /nfs/dbraw/zinc/76/34/52/386763452.db2.gz WGSOVTIHTBRXJH-MRXNPFEDSA-N 0 3 242.366 3.512 50 0 BHAAHN CCc1c(C)[nH]c(/C=C2\C=C(C)N=C2C)c1C ZINC000049812750 387423244 /nfs/dbraw/zinc/42/32/44/387423244.db2.gz ZKBQVBVOKHTSBR-MDWZMJQESA-N 0 3 228.339 3.956 50 0 BHAAHN Nc1ccnc2ccc(Oc3ccccc3)cc12 ZINC000050844055 181764900 /nfs/dbraw/zinc/76/49/00/181764900.db2.gz AMINKHDYIRALSJ-UHFFFAOYSA-N 0 3 236.274 3.609 50 0 BHAAHN Clc1ccc2c(c1)CN[C@H](c1ccccc1)C2 ZINC000054684768 384847864 /nfs/dbraw/zinc/84/78/64/384847864.db2.gz YVATUSNBEIZRFD-HNNXBMFYSA-N 0 3 243.737 3.727 50 0 BHAAHN Clc1ccc2c(c1)CN[C@@H](c1ccccc1)C2 ZINC000054684771 384844905 /nfs/dbraw/zinc/84/49/05/384844905.db2.gz YVATUSNBEIZRFD-OAHLLOKOSA-N 0 3 243.737 3.727 50 0 BHAAHN Clc1cccc(CNCc2cccs2)c1 ZINC000055568598 384887821 /nfs/dbraw/zinc/88/78/21/384887821.db2.gz VAHYGZPDVIWFJP-UHFFFAOYSA-N 0 3 237.755 3.691 50 0 BHAAHN CC[C@@H](c1cccnc1)N(C)Cc1ccccc1 ZINC000065374633 343778922 /nfs/dbraw/zinc/77/89/22/343778922.db2.gz YNLUUUIGLRCYQY-INIZCTEOSA-N 0 3 240.350 3.665 50 0 BHAAHN CC[C@H](c1cccnc1)N(C)Cc1ccccc1 ZINC000065374635 385304140 /nfs/dbraw/zinc/30/41/40/385304140.db2.gz YNLUUUIGLRCYQY-MRXNPFEDSA-N 0 3 240.350 3.665 50 0 BHAAHN Nc1ccncc1-c1ccc(Cl)cc1Cl ZINC000065491307 385316601 /nfs/dbraw/zinc/31/66/01/385316601.db2.gz KVPHDEUNIFCLDO-UHFFFAOYSA-N 0 3 239.105 3.638 50 0 BHAAHN Cc1ccc2[nH]cc(-c3ccc(CN)s3)c2c1 ZINC000067490432 383925508 /nfs/dbraw/zinc/92/55/08/383925508.db2.gz QVELAOHKNLBRAX-UHFFFAOYSA-N 0 3 242.347 3.664 50 0 BHAAHN Cc1ccc(CNCc2ccc(F)cc2)cc1F ZINC000070160121 384762367 /nfs/dbraw/zinc/76/23/67/384762367.db2.gz IYRYPUXXIBNHOI-UHFFFAOYSA-N 0 3 247.288 3.563 50 0 BHAAHN Cc1ccc(CNCc2cccc(F)c2)cc1F ZINC000070160136 384763112 /nfs/dbraw/zinc/76/31/12/384763112.db2.gz IFYWOMOXAXSHAX-UHFFFAOYSA-N 0 3 247.288 3.563 50 0 BHAAHN CC[C@H](C)N(CC=C(C)C)Cc1ccncc1 ZINC000071589587 171312339 /nfs/dbraw/zinc/31/23/39/171312339.db2.gz YCBMAZWMMKPOBG-AWEZNQCLSA-N 0 3 232.371 3.648 50 0 BHAAHN c1cn(-c2ccccc2)c(Nc2ccccc2)n1 ZINC000071773332 384177991 /nfs/dbraw/zinc/17/79/91/384177991.db2.gz YZCLOPGTTDUJPI-UHFFFAOYSA-N 0 3 235.290 3.616 50 0 BHAAHN CN(C)C1=C(c2ccccc2)CCCC1 ZINC000071774097 385876938 /nfs/dbraw/zinc/87/69/38/385876938.db2.gz IUPNJNAQYRFXIH-UHFFFAOYSA-N 0 3 201.313 3.533 50 0 BHAAHN Cc1ccc(Nc2cc(C)ncc2C)cc1 ZINC000075252275 358099074 /nfs/dbraw/zinc/09/90/74/358099074.db2.gz KYNAJVXREUKFIK-UHFFFAOYSA-N 0 3 212.296 3.750 50 0 BHAAHN CN(C)Cc1ccc(C2CCCCC2)cc1 ZINC000075841205 384764771 /nfs/dbraw/zinc/76/47/71/384764771.db2.gz WLSHBFVDNUDRRC-UHFFFAOYSA-N 0 3 217.356 3.796 50 0 BHAAHN Cc1csc(CN(C)C2CCCCCC2)n1 ZINC000078970920 388741514 /nfs/dbraw/zinc/74/15/14/388741514.db2.gz VKZDPYYJLIUCEJ-UHFFFAOYSA-N 0 3 238.400 3.606 50 0 BHAAHN Cc1cccc(C)c1CNCc1ccc(F)cc1 ZINC000083371859 179036568 /nfs/dbraw/zinc/03/65/68/179036568.db2.gz WRLNWUPETZHGSD-UHFFFAOYSA-N 0 3 243.325 3.732 50 0 BHAAHN c1cc(CN2CCC3(CCCCC3)CC2)ccn1 ZINC000084615146 183340103 /nfs/dbraw/zinc/34/01/03/183340103.db2.gz GKLGAIDSLDZOJF-UHFFFAOYSA-N 0 3 244.382 3.628 50 0 BHAAHN Cc1cnc(CNC2CCCCCCC2)s1 ZINC000095968619 388795469 /nfs/dbraw/zinc/79/54/69/388795469.db2.gz WKAYLUYPYMONHS-UHFFFAOYSA-N 0 3 238.400 3.654 50 0 BHAAHN CC1(CNCc2ccco2)CCCCCC1 ZINC000097035198 168043731 /nfs/dbraw/zinc/04/37/31/168043731.db2.gz SYMANBJXKZJOOH-UHFFFAOYSA-N 0 3 221.344 3.730 50 0 BHAAHN Cc1ccc2nccc(NCc3ccncc3)c2c1 ZINC000097102973 384356684 /nfs/dbraw/zinc/35/66/84/384356684.db2.gz UTBGSKWFWGXKCU-UHFFFAOYSA-N 0 3 249.317 3.550 50 0 BHAAHN CS[C@@H]1CC[C@H](N[C@H](C)c2ccc(C)o2)C1 ZINC000110688459 369937990 /nfs/dbraw/zinc/93/79/90/369937990.db2.gz QVTMFWVSLCTHDI-GRYCIOLGSA-N 0 3 239.384 3.523 50 0 BHAAHN CS[C@@H]1CC[C@@H](N[C@H](C)c2ccc(C)o2)C1 ZINC000110688463 369937147 /nfs/dbraw/zinc/93/71/47/369937147.db2.gz QVTMFWVSLCTHDI-IJLUTSLNSA-N 0 3 239.384 3.523 50 0 BHAAHN Cc1cccc2c(NCc3ccncc3)ccnc12 ZINC000130593137 363429394 /nfs/dbraw/zinc/42/93/94/363429394.db2.gz HKBKKQBPTHGBIV-UHFFFAOYSA-N 0 3 249.317 3.550 50 0 BHAAHN Cc1cc(CNCc2ccccc2)ccc1Cl ZINC000136038203 388519681 /nfs/dbraw/zinc/51/96/81/388519681.db2.gz ZWCXFZJAGHEPQG-UHFFFAOYSA-N 0 3 245.753 3.938 50 0 BHAAHN CC[C@@H]1Cc2ccccc2CN1Cc1ccco1 ZINC000170597320 171143893 /nfs/dbraw/zinc/14/38/93/171143893.db2.gz ZKGXVDCMFDTYNI-OAHLLOKOSA-N 0 3 241.334 3.617 50 0 BHAAHN CC[C@H]1Cc2ccccc2CN1Cc1ccco1 ZINC000170597321 388240116 /nfs/dbraw/zinc/24/01/16/388240116.db2.gz ZKGXVDCMFDTYNI-HNNXBMFYSA-N 0 3 241.334 3.617 50 0 BHAAHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(F)cc1F ZINC000170599706 171161067 /nfs/dbraw/zinc/16/10/67/171161067.db2.gz HRPXUIMTWUNKED-QMTHXVAHSA-N 0 3 239.309 3.585 50 0 BHAAHN CC[C@H]1[C@H](C)CCN1Cc1ccc(F)cc1F ZINC000170599707 388240810 /nfs/dbraw/zinc/24/08/10/388240810.db2.gz HRPXUIMTWUNKED-YGRLFVJLSA-N 0 3 239.309 3.585 50 0 BHAAHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(F)cc1F ZINC000170599708 171156335 /nfs/dbraw/zinc/15/63/35/171156335.db2.gz HRPXUIMTWUNKED-IINYFYTJSA-N 0 3 239.309 3.585 50 0 BHAAHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(F)cc1F ZINC000170599709 388240556 /nfs/dbraw/zinc/24/05/56/388240556.db2.gz HRPXUIMTWUNKED-HZMBPMFUSA-N 0 3 239.309 3.585 50 0 BHAAHN CS[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000195541116 388479106 /nfs/dbraw/zinc/47/91/06/388479106.db2.gz QVTMFWVSLCTHDI-QJPTWQEYSA-N 0 3 239.384 3.523 50 0 BHAAHN CS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000195541118 388479239 /nfs/dbraw/zinc/47/92/39/388479239.db2.gz QVTMFWVSLCTHDI-SDDRHHMPSA-N 0 3 239.384 3.523 50 0 BHAAHN C[C@@H](c1ccccc1CN(C)C)[Si](C)(C)C ZINC000196172047 176024086 /nfs/dbraw/zinc/02/40/86/176024086.db2.gz SWGVTJLYGXNOEK-LBPRGKRZSA-N 0 3 235.447 3.729 50 0 BHAAHN C[C@H](c1ccccc1CN(C)C)[Si](C)(C)C ZINC000196172053 177041675 /nfs/dbraw/zinc/04/16/75/177041675.db2.gz SWGVTJLYGXNOEK-GFCCVEGCSA-N 0 3 235.447 3.729 50 0 BHAAHN c1ccc2c(c1)CC[C@H]2N1CCc2ccccc2C1 ZINC000225417768 386193915 /nfs/dbraw/zinc/19/39/15/386193915.db2.gz DTWORJYPULNCJR-GOSISDBHSA-N 0 3 249.357 3.732 50 0 BHAAHN c1ccc2c(c1)CC[C@@H]2N1CCc2ccccc2C1 ZINC000225417810 386192969 /nfs/dbraw/zinc/19/29/69/386192969.db2.gz DTWORJYPULNCJR-SFHVURJKSA-N 0 3 249.357 3.732 50 0 BHAAHN CCCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000241121900 398160030 /nfs/dbraw/zinc/16/00/30/398160030.db2.gz JEQCWNDZTTVXDN-GFCCVEGCSA-N 0 3 223.385 3.931 50 0 BHAAHN CCCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000241121901 398160020 /nfs/dbraw/zinc/16/00/20/398160020.db2.gz JEQCWNDZTTVXDN-LBPRGKRZSA-N 0 3 223.385 3.931 50 0 BHAAHN Cc1cc(CN2CCC3(C2)CCCCCC3)on1 ZINC000368398898 177986847 /nfs/dbraw/zinc/98/68/47/177986847.db2.gz VQFLFELUVFHUDV-UHFFFAOYSA-N 0 3 248.370 3.529 50 0 BHAAHN